Browse entries in the PDBbind-CN Database
HEADER 5J7F_COMPLEX COMPND 5J7F_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 101 ASP GLY ALA VAL THR THR SER GLN ILE PRO ALA SER GLU SEQRES 2 A 101 GLN GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS SEQRES 3 A 101 LEU LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR SEQRES 4 A 101 MET LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET SEQRES 5 A 101 THR LYS ARG LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL SEQRES 6 A 101 TYR CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL SEQRES 7 A 101 PRO SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR SEQRES 8 A 101 MET ILE TYR ARG ASN LEU VAL VAL VAL ASN SEQRES 1 D 99 GLY ALA VAL THR THR SER GLN ILE PRO ALA SER GLU GLN SEQRES 2 D 99 GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU SEQRES 3 D 99 LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET SEQRES 4 D 99 LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR SEQRES 5 D 99 LYS ARG LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL TYR SEQRES 6 D 99 CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO SEQRES 7 D 99 SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET SEQRES 8 D 99 ILE TYR ARG ASN LEU VAL VAL VAL HET UNN A 275 79 ATOM 1 N ASP A 11 31.668 0.716 29.981 1.00 56.37 N ATOM 2 CA ASP A 11 32.010 0.871 31.427 1.00 55.29 C ATOM 3 C ASP A 11 33.509 1.150 31.596 1.00 52.30 C ATOM 4 O ASP A 11 34.356 0.502 30.960 1.00 52.58 O ATOM 5 CB ASP A 11 31.622 -0.374 32.239 1.00 59.06 C ATOM 6 HN3 ASP A 11 32.208 -0.078 29.582 1.00 0.00 H ATOM 7 HN2 ASP A 11 31.909 1.591 29.473 1.00 0.00 H ATOM 8 HN1 ASP A 11 30.650 0.528 29.885 1.00 0.00 H ATOM 9 N GLY A 12 33.819 2.124 32.446 1.00 47.13 N ATOM 10 CA GLY A 12 35.195 2.499 32.720 1.00 43.59 C ATOM 11 C GLY A 12 35.933 1.372 33.432 1.00 39.95 C ATOM 12 O GLY A 12 35.333 0.564 34.149 1.00 39.50 O ATOM 13 H GLY A 12 33.052 2.633 32.930 1.00 0.00 H ATOM 14 N ALA A 13 37.225 1.341 33.198 1.00 35.84 N ATOM 15 CA ALA A 13 38.119 0.358 33.740 1.00 35.84 C ATOM 16 C ALA A 13 39.488 1.007 33.739 1.00 34.14 C ATOM 17 O ALA A 13 39.767 1.820 32.867 1.00 37.33 O ATOM 18 CB ALA A 13 38.154 -0.865 32.866 1.00 36.44 C ATOM 19 H ALA A 13 37.626 2.076 32.581 1.00 0.00 H ATOM 20 N VAL A 14 40.309 0.665 34.715 1.00 33.18 N ATOM 21 CA VAL A 14 41.716 1.087 34.769 1.00 35.32 C ATOM 22 C VAL A 14 42.648 -0.085 35.074 1.00 36.14 C ATOM 23 O VAL A 14 42.338 -0.937 35.897 1.00 37.92 O ATOM 24 CB VAL A 14 41.941 2.234 35.797 1.00 33.55 C ATOM 25 CG1 VAL A 14 41.676 1.772 37.233 1.00 32.75 C ATOM 26 CG2 VAL A 14 43.337 2.847 35.642 1.00 34.73 C ATOM 27 H VAL A 14 39.942 0.068 35.483 1.00 0.00 H ATOM 28 N THR A 15 43.781 -0.089 34.372 1.00 36.95 N ATOM 29 CA THR A 15 44.813 -1.133 34.412 1.00 37.51 C ATOM 30 C THR A 15 45.971 -0.553 35.169 1.00 38.55 C ATOM 31 O THR A 15 46.232 0.677 35.076 1.00 37.81 O ATOM 32 CB THR A 15 45.331 -1.460 32.996 1.00 39.59 C ATOM 33 OG1 THR A 15 44.284 -2.052 32.223 1.00 41.91 O ATOM 34 CG2 THR A 15 46.462 -2.497 33.025 1.00 42.32 C ATOM 35 HG1 THR A 15 44.622 -2.260 31.316 1.00 0.00 H ATOM 36 H THR A 15 43.949 0.719 33.740 1.00 0.00 H ATOM 37 N THR A 16 46.634 -1.394 35.945 1.00 36.67 N ATOM 38 CA THR A 16 47.886 -1.048 36.591 1.00 37.79 C ATOM 39 C THR A 16 48.966 -2.034 36.141 1.00 38.47 C ATOM 40 O THR A 16 48.705 -3.229 35.958 1.00 37.92 O ATOM 41 CB THR A 16 47.806 -1.094 38.135 1.00 36.98 C ATOM 42 OG1 THR A 16 49.107 -1.372 38.649 1.00 37.69 O ATOM 43 CG2 THR A 16 46.852 -2.142 38.659 1.00 35.97 C ATOM 44 HG1 THR A 16 49.070 -1.404 39.638 1.00 0.00 H ATOM 45 H THR A 16 46.241 -2.344 36.099 1.00 0.00 H ATOM 46 N SER A 17 50.182 -1.546 35.995 1.00 37.17 N ATOM 47 CA SER A 17 51.330 -2.433 35.684 1.00 37.72 C ATOM 48 C SER A 17 51.848 -3.208 36.894 1.00 35.30 C ATOM 49 O SER A 17 52.695 -4.063 36.740 1.00 35.00 O ATOM 50 CB SER A 17 52.509 -1.595 35.166 1.00 39.73 C ATOM 51 OG SER A 17 52.766 -0.583 36.143 1.00 38.51 O ATOM 52 HG SER A 17 51.959 -0.020 36.254 1.00 0.00 H ATOM 53 H SER A 17 50.339 -0.523 36.099 1.00 0.00 H ATOM 54 N GLN A 18 51.378 -2.908 38.087 1.00 33.06 N ATOM 55 CA GLN A 18 51.909 -3.540 39.283 1.00 33.49 C ATOM 56 C GLN A 18 51.185 -4.866 39.678 1.00 32.94 C ATOM 57 O GLN A 18 51.627 -5.538 40.581 1.00 32.97 O ATOM 58 CB GLN A 18 51.799 -2.569 40.479 1.00 34.54 C ATOM 59 CG GLN A 18 52.719 -1.359 40.466 1.00 34.29 C ATOM 60 CD GLN A 18 52.416 -0.393 41.622 1.00 35.46 C ATOM 61 OE1 GLN A 18 52.196 -0.801 42.750 1.00 36.34 O ATOM 62 NE2 GLN A 18 52.402 0.913 41.326 1.00 37.89 N ATOM 63 HE22 GLN A 18 52.594 1.228 40.354 1.00 0.00 H ATOM 64 HE21 GLN A 18 52.199 1.612 42.069 1.00 0.00 H ATOM 65 H GLN A 18 50.614 -2.207 38.175 1.00 0.00 H ATOM 66 N ILE A 19 50.076 -5.210 39.032 1.00 32.39 N ATOM 67 CA ILE A 19 49.228 -6.323 39.465 1.00 30.47 C ATOM 68 C ILE A 19 49.085 -7.275 38.245 1.00 31.46 C ATOM 69 O ILE A 19 48.852 -6.840 37.119 1.00 31.41 O ATOM 70 CB ILE A 19 47.836 -5.821 39.955 1.00 28.72 C ATOM 71 CG1 ILE A 19 47.925 -4.878 41.164 1.00 29.00 C ATOM 72 CG2 ILE A 19 46.927 -6.977 40.338 1.00 29.05 C ATOM 73 CD1 ILE A 19 48.410 -5.428 42.482 1.00 28.55 C ATOM 74 H ILE A 19 49.800 -4.669 38.188 1.00 0.00 H ATOM 75 N PRO A 20 49.237 -8.595 38.431 1.00 31.80 N ATOM 76 CA PRO A 20 49.143 -9.432 37.220 1.00 33.18 C ATOM 77 C PRO A 20 47.822 -9.254 36.469 1.00 33.48 C ATOM 78 O PRO A 20 46.794 -9.032 37.104 1.00 33.24 O ATOM 79 CB PRO A 20 49.223 -10.857 37.814 1.00 34.58 C ATOM 80 CG PRO A 20 50.167 -10.634 38.997 1.00 34.41 C ATOM 81 CD PRO A 20 49.624 -9.380 39.615 1.00 32.20 C ATOM 82 N ALA A 21 47.844 -9.364 35.142 1.00 34.29 N ATOM 83 CA ALA A 21 46.649 -9.106 34.337 1.00 34.74 C ATOM 84 C ALA A 21 45.518 -9.962 34.721 1.00 34.54 C ATOM 85 O ALA A 21 44.439 -9.477 34.920 1.00 35.60 O ATOM 86 CB ALA A 21 46.912 -9.278 32.842 1.00 35.65 C ATOM 87 H ALA A 21 48.728 -9.639 34.668 1.00 0.00 H ATOM 88 N SER A 22 45.743 -11.258 34.815 1.00 36.47 N ATOM 89 CA SER A 22 44.667 -12.195 35.069 1.00 36.65 C ATOM 90 C SER A 22 43.971 -11.824 36.377 1.00 35.65 C ATOM 91 O SER A 22 42.742 -11.898 36.483 1.00 37.26 O ATOM 92 CB SER A 22 45.179 -13.675 35.067 1.00 37.62 C ATOM 93 OG SER A 22 45.943 -13.937 36.245 1.00 37.33 O ATOM 94 HG SER A 22 46.260 -14.875 36.230 1.00 0.00 H ATOM 95 H SER A 22 46.713 -11.615 34.704 1.00 0.00 H ATOM 96 N GLU A 23 44.733 -11.403 37.375 1.00 35.20 N ATOM 97 CA GLU A 23 44.162 -10.888 38.622 1.00 35.25 C ATOM 98 C GLU A 23 43.255 -9.629 38.426 1.00 35.29 C ATOM 99 O GLU A 23 42.150 -9.525 38.986 1.00 33.76 O ATOM 100 CB GLU A 23 45.287 -10.581 39.611 1.00 35.07 C ATOM 101 CG GLU A 23 44.775 -10.399 41.027 1.00 34.11 C ATOM 102 CD GLU A 23 45.863 -10.237 42.051 1.00 32.13 C ATOM 103 OE1 GLU A 23 47.057 -10.446 41.736 1.00 31.25 O ATOM 104 OE2 GLU A 23 45.482 -9.895 43.194 1.00 30.64 O ATOM 105 H GLU A 23 45.767 -11.439 37.270 1.00 0.00 H ATOM 106 N GLN A 24 43.678 -8.710 37.559 1.00 35.19 N ATOM 107 CA GLN A 24 42.861 -7.510 37.305 1.00 34.39 C ATOM 108 C GLN A 24 41.545 -7.857 36.615 1.00 36.58 C ATOM 109 O GLN A 24 40.552 -7.106 36.673 1.00 34.71 O ATOM 110 CB GLN A 24 43.646 -6.553 36.432 1.00 34.37 C ATOM 111 CG GLN A 24 44.877 -6.071 37.178 1.00 34.31 C ATOM 112 CD GLN A 24 45.602 -5.002 36.458 1.00 34.69 C ATOM 113 OE1 GLN A 24 45.045 -3.941 36.217 1.00 32.31 O ATOM 114 NE2 GLN A 24 46.878 -5.262 36.116 1.00 34.28 N ATOM 115 HE22 GLN A 24 47.301 -6.184 36.347 1.00 0.00 H ATOM 116 HE21 GLN A 24 47.441 -4.541 35.621 1.00 0.00 H ATOM 117 H GLN A 24 44.583 -8.839 37.063 1.00 0.00 H ATOM 118 N GLU A 25 41.522 -9.014 35.951 1.00 38.48 N ATOM 119 CA GLU A 25 40.347 -9.396 35.213 1.00 39.09 C ATOM 120 C GLU A 25 39.409 -10.219 35.996 1.00 36.88 C ATOM 121 O GLU A 25 38.384 -10.573 35.468 1.00 39.96 O ATOM 122 CB GLU A 25 40.728 -10.150 33.980 1.00 42.98 C ATOM 123 CG GLU A 25 42.045 -9.680 33.476 1.00 46.22 C ATOM 124 CD GLU A 25 41.988 -9.380 32.032 1.00 54.45 C ATOM 125 OE1 GLU A 25 41.391 -8.307 31.696 1.00 61.05 O ATOM 126 OE2 GLU A 25 42.551 -10.206 31.261 1.00 61.27 O ATOM 127 H GLU A 25 42.353 -9.639 35.967 1.00 0.00 H ATOM 128 N THR A 26 39.702 -10.513 37.245 1.00 35.89 N ATOM 129 CA THR A 26 38.791 -11.348 38.040 1.00 36.11 C ATOM 130 C THR A 26 37.417 -10.687 38.110 1.00 36.87 C ATOM 131 O THR A 26 37.297 -9.483 38.358 1.00 34.16 O ATOM 132 CB THR A 26 39.282 -11.472 39.476 1.00 36.20 C ATOM 133 OG1 THR A 26 40.667 -11.856 39.500 1.00 34.72 O ATOM 134 CG2 THR A 26 38.406 -12.448 40.268 1.00 37.43 C ATOM 135 HG1 THR A 26 41.206 -11.170 39.032 1.00 0.00 H ATOM 136 H THR A 26 40.580 -10.153 37.670 1.00 0.00 H ATOM 137 N LEU A 27 36.384 -11.465 37.900 1.00 36.34 N ATOM 138 CA LEU A 27 35.003 -11.002 38.008 1.00 36.91 C ATOM 139 C LEU A 27 34.605 -11.130 39.479 1.00 34.91 C ATOM 140 O LEU A 27 34.946 -12.106 40.132 1.00 34.33 O ATOM 141 CB LEU A 27 34.146 -11.878 37.129 1.00 41.19 C ATOM 142 CG LEU A 27 33.096 -11.340 36.176 1.00 44.24 C ATOM 143 CD1 LEU A 27 33.513 -10.112 35.400 1.00 43.40 C ATOM 144 CD2 LEU A 27 32.783 -12.495 35.222 1.00 47.44 C ATOM 145 H LEU A 27 36.555 -12.458 37.645 1.00 0.00 H ATOM 146 N VAL A 28 33.964 -10.101 40.033 1.00 33.37 N ATOM 147 CA VAL A 28 33.706 -10.005 41.471 1.00 32.00 C ATOM 148 C VAL A 28 32.369 -9.360 41.722 1.00 32.95 C ATOM 149 O VAL A 28 31.853 -8.667 40.845 1.00 33.96 O ATOM 150 CB VAL A 28 34.797 -9.214 42.182 1.00 30.79 C ATOM 151 CG1 VAL A 28 36.159 -9.895 42.001 1.00 30.87 C ATOM 152 CG2 VAL A 28 34.830 -7.760 41.683 1.00 30.75 C ATOM 153 H VAL A 28 33.632 -9.332 39.416 1.00 0.00 H ATOM 154 N ARG A 29 31.817 -9.594 42.915 1.00 34.92 N ATOM 155 CA ARG A 29 30.548 -9.041 43.344 1.00 38.38 C ATOM 156 C ARG A 29 30.817 -8.267 44.601 1.00 36.10 C ATOM 157 O ARG A 29 31.108 -8.850 45.629 1.00 35.19 O ATOM 158 CB ARG A 29 29.469 -10.140 43.593 1.00 43.38 C ATOM 159 CG ARG A 29 28.718 -10.526 42.317 1.00 49.24 C ATOM 160 CD ARG A 29 27.775 -11.722 42.486 1.00 52.55 C ATOM 161 NE ARG A 29 27.537 -11.877 43.907 1.00 58.12 N ATOM 162 CZ ARG A 29 27.883 -12.927 44.651 1.00 64.24 C ATOM 163 NH1 ARG A 29 28.419 -14.031 44.107 1.00 66.28 N ATOM 164 NH2 ARG A 29 27.634 -12.892 45.962 1.00 65.68 N ATOM 165 HE ARG A 29 27.051 -11.096 44.391 1.00 0.00 H ATOM 166 HH12 ARG A 29 28.679 -14.835 44.713 1.00 0.00 H ATOM 167 HH11 ARG A 29 28.574 -14.082 43.080 1.00 0.00 H ATOM 168 HH22 ARG A 29 27.895 -13.700 46.563 1.00 0.00 H ATOM 169 HH21 ARG A 29 27.179 -12.057 46.383 1.00 0.00 H ATOM 170 H ARG A 29 32.329 -10.211 43.577 1.00 0.00 H ATOM 171 N PRO A 30 30.799 -6.926 44.501 1.00 36.79 N ATOM 172 CA PRO A 30 31.002 -6.126 45.690 1.00 35.53 C ATOM 173 C PRO A 30 29.982 -6.436 46.783 1.00 36.05 C ATOM 174 O PRO A 30 28.819 -6.735 46.506 1.00 36.48 O ATOM 175 CB PRO A 30 30.847 -4.694 45.166 1.00 35.51 C ATOM 176 CG PRO A 30 31.219 -4.774 43.740 1.00 35.29 C ATOM 177 CD PRO A 30 30.636 -6.078 43.308 1.00 35.63 C ATOM 178 N LYS A 31 30.436 -6.411 48.016 1.00 35.58 N ATOM 179 CA LYS A 31 29.532 -6.474 49.137 1.00 38.32 C ATOM 180 C LYS A 31 28.742 -5.179 49.216 1.00 38.63 C ATOM 181 O LYS A 31 28.998 -4.261 48.436 1.00 38.05 O ATOM 182 CB LYS A 31 30.325 -6.764 50.400 1.00 40.53 C ATOM 183 CG LYS A 31 30.850 -8.193 50.432 1.00 40.75 C ATOM 184 CD LYS A 31 31.697 -8.408 51.657 1.00 42.64 C ATOM 185 CE LYS A 31 32.477 -9.693 51.527 1.00 46.64 C ATOM 186 NZ LYS A 31 33.465 -9.848 52.641 1.00 48.29 N ATOM 187 HZ1 LYS A 31 34.134 -9.052 52.623 1.00 0.00 H ATOM 188 HZ2 LYS A 31 32.961 -9.858 53.551 1.00 0.00 H ATOM 189 HZ3 LYS A 31 33.984 -10.741 52.521 1.00 0.00 H ATOM 190 H LYS A 31 31.460 -6.345 48.185 1.00 0.00 H ATOM 191 N PRO A 32 27.752 -5.104 50.107 1.00 40.58 N ATOM 192 CA PRO A 32 26.808 -3.970 49.987 1.00 40.70 C ATOM 193 C PRO A 32 27.377 -2.585 50.158 1.00 39.13 C ATOM 194 O PRO A 32 27.004 -1.686 49.410 1.00 39.32 O ATOM 195 CB PRO A 32 25.798 -4.231 51.105 1.00 41.14 C ATOM 196 CG PRO A 32 25.805 -5.706 51.223 1.00 41.99 C ATOM 197 CD PRO A 32 27.215 -6.151 50.999 1.00 41.28 C ATOM 198 N LEU A 33 28.244 -2.392 51.134 1.00 40.27 N ATOM 199 CA LEU A 33 28.836 -1.055 51.330 1.00 40.19 C ATOM 200 C LEU A 33 29.626 -0.641 50.122 1.00 37.00 C ATOM 201 O LEU A 33 29.433 0.458 49.598 1.00 39.39 O ATOM 202 CB LEU A 33 29.699 -1.004 52.577 1.00 42.22 C ATOM 203 CG LEU A 33 28.846 -1.101 53.836 1.00 44.46 C ATOM 204 CD1 LEU A 33 29.712 -1.073 55.076 1.00 46.35 C ATOM 205 CD2 LEU A 33 27.841 0.035 53.856 1.00 46.38 C ATOM 206 H LEU A 33 28.508 -3.178 51.762 1.00 0.00 H ATOM 207 N LEU A 34 30.461 -1.534 49.623 1.00 35.70 N ATOM 208 CA LEU A 34 31.213 -1.230 48.412 1.00 34.40 C ATOM 209 C LEU A 34 30.295 -1.032 47.235 1.00 34.04 C ATOM 210 O LEU A 34 30.486 -0.086 46.479 1.00 32.43 O ATOM 211 CB LEU A 34 32.299 -2.261 48.094 1.00 32.61 C ATOM 212 CG LEU A 34 33.094 -1.970 46.822 1.00 32.05 C ATOM 213 CD1 LEU A 34 33.877 -0.671 46.954 1.00 31.87 C ATOM 214 CD2 LEU A 34 34.100 -3.101 46.589 1.00 32.79 C ATOM 215 H LEU A 34 30.582 -2.453 50.094 1.00 0.00 H ATOM 216 N LEU A 35 29.314 -1.911 47.035 1.00 34.15 N ATOM 217 CA LEU A 35 28.376 -1.696 45.947 1.00 36.60 C ATOM 218 C LEU A 35 27.714 -0.281 46.044 1.00 36.80 C ATOM 219 O LEU A 35 27.611 0.422 45.045 1.00 35.88 O ATOM 220 CB LEU A 35 27.302 -2.777 45.899 1.00 39.81 C ATOM 221 CG LEU A 35 26.325 -2.726 44.710 1.00 42.66 C ATOM 222 CD1 LEU A 35 27.053 -2.821 43.358 1.00 43.57 C ATOM 223 CD2 LEU A 35 25.275 -3.839 44.842 1.00 43.35 C ATOM 224 H LEU A 35 29.221 -2.743 47.652 1.00 0.00 H ATOM 225 N LYS A 36 27.332 0.134 47.237 1.00 36.53 N ATOM 226 CA LYS A 36 26.745 1.457 47.400 1.00 39.91 C ATOM 227 C LYS A 36 27.690 2.606 46.992 1.00 38.42 C ATOM 228 O LYS A 36 27.313 3.544 46.257 1.00 37.11 O ATOM 229 CB LYS A 36 26.365 1.628 48.833 1.00 44.51 C ATOM 230 CG LYS A 36 25.344 2.709 49.046 1.00 48.18 C ATOM 231 CD LYS A 36 25.045 2.772 50.528 1.00 53.78 C ATOM 232 CE LYS A 36 26.254 3.360 51.249 1.00 55.60 C ATOM 233 NZ LYS A 36 26.066 3.399 52.725 1.00 58.43 N ATOM 234 HZ1 LYS A 36 25.238 3.985 52.952 1.00 0.00 H ATOM 235 HZ2 LYS A 36 25.916 2.433 53.080 1.00 0.00 H ATOM 236 HZ3 LYS A 36 26.913 3.806 53.170 1.00 0.00 H ATOM 237 H LYS A 36 27.450 -0.486 48.064 1.00 0.00 H ATOM 238 N LEU A 37 28.938 2.496 47.429 1.00 37.04 N ATOM 239 CA LEU A 37 29.970 3.416 46.976 1.00 36.43 C ATOM 240 C LEU A 37 30.086 3.490 45.445 1.00 36.01 C ATOM 241 O LEU A 37 30.032 4.571 44.853 1.00 37.34 O ATOM 242 CB LEU A 37 31.286 3.083 47.699 1.00 36.26 C ATOM 243 CG LEU A 37 32.711 3.527 47.325 1.00 37.39 C ATOM 244 CD1 LEU A 37 32.899 4.347 46.087 1.00 39.59 C ATOM 245 CD2 LEU A 37 33.402 4.149 48.515 1.00 38.17 C ATOM 246 H LEU A 37 29.181 1.743 48.104 1.00 0.00 H ATOM 247 N LEU A 38 30.195 2.362 44.778 1.00 34.86 N ATOM 248 CA LEU A 38 30.307 2.370 43.339 1.00 35.56 C ATOM 249 C LEU A 38 29.080 3.003 42.700 1.00 37.23 C ATOM 250 O LEU A 38 29.210 3.827 41.778 1.00 38.46 O ATOM 251 CB LEU A 38 30.525 0.930 42.790 1.00 35.60 C ATOM 252 CG LEU A 38 31.757 0.131 43.252 1.00 35.12 C ATOM 253 CD1 LEU A 38 31.747 -1.255 42.612 1.00 36.50 C ATOM 254 CD2 LEU A 38 33.105 0.800 43.009 1.00 33.81 C ATOM 255 H LEU A 38 30.201 1.457 45.291 1.00 0.00 H ATOM 256 N LYS A 39 27.888 2.649 43.176 1.00 38.36 N ATOM 257 CA LYS A 39 26.671 3.193 42.566 1.00 39.44 C ATOM 258 C LYS A 39 26.568 4.704 42.788 1.00 39.73 C ATOM 259 O LYS A 39 26.099 5.438 41.919 1.00 39.39 O ATOM 260 CB LYS A 39 25.434 2.454 43.037 1.00 42.14 C ATOM 261 CG LYS A 39 25.447 1.008 42.510 1.00 45.66 C ATOM 262 CD LYS A 39 24.066 0.357 42.457 1.00 49.40 C ATOM 263 CE LYS A 39 24.094 -0.933 41.623 1.00 51.73 C ATOM 264 NZ LYS A 39 23.168 -1.976 42.141 1.00 54.20 N ATOM 265 HZ1 LYS A 39 23.435 -2.222 43.116 1.00 0.00 H ATOM 266 HZ2 LYS A 39 22.194 -1.611 42.129 1.00 0.00 H ATOM 267 HZ3 LYS A 39 23.230 -2.822 41.540 1.00 0.00 H ATOM 268 H LYS A 39 27.821 1.989 43.977 1.00 0.00 H ATOM 269 N SER A 40 27.084 5.165 43.914 1.00 38.70 N ATOM 270 CA SER A 40 27.117 6.585 44.179 1.00 38.83 C ATOM 271 C SER A 40 27.908 7.338 43.088 1.00 38.09 C ATOM 272 O SER A 40 27.655 8.478 42.851 1.00 41.23 O ATOM 273 CB SER A 40 27.691 6.876 45.559 1.00 37.36 C ATOM 274 OG SER A 40 29.111 6.946 45.541 1.00 37.87 O ATOM 275 HG SER A 40 29.479 6.082 45.228 1.00 0.00 H ATOM 276 H SER A 40 27.469 4.500 44.615 1.00 0.00 H ATOM 277 N VAL A 41 28.829 6.722 42.395 1.00 36.38 N ATOM 278 CA VAL A 41 29.495 7.413 41.305 1.00 37.41 C ATOM 279 C VAL A 41 29.094 6.873 39.940 1.00 38.32 C ATOM 280 O VAL A 41 29.882 6.946 39.004 1.00 39.50 O ATOM 281 CB VAL A 41 31.046 7.440 41.483 1.00 36.35 C ATOM 282 CG1 VAL A 41 31.400 8.198 42.749 1.00 36.13 C ATOM 283 CG2 VAL A 41 31.657 6.061 41.529 1.00 35.94 C ATOM 284 H VAL A 41 29.084 5.740 42.623 1.00 0.00 H ATOM 285 N GLY A 42 27.874 6.334 39.817 1.00 39.17 N ATOM 286 CA GLY A 42 27.348 5.956 38.509 1.00 39.40 C ATOM 287 C GLY A 42 27.419 4.509 38.074 1.00 40.53 C ATOM 288 O GLY A 42 27.015 4.182 36.971 1.00 42.83 O ATOM 289 H GLY A 42 27.293 6.183 40.666 1.00 0.00 H ATOM 290 N ALA A 43 27.889 3.610 38.914 1.00 40.32 N ATOM 291 CA ALA A 43 27.903 2.217 38.510 1.00 41.54 C ATOM 292 C ALA A 43 26.460 1.668 38.538 1.00 43.65 C ATOM 293 O ALA A 43 25.675 1.982 39.443 1.00 43.62 O ATOM 294 CB ALA A 43 28.820 1.406 39.402 1.00 40.93 C ATOM 295 H ALA A 43 28.244 3.894 39.850 1.00 0.00 H ATOM 296 N GLN A 44 26.124 0.888 37.522 1.00 44.57 N ATOM 297 CA GLN A 44 24.775 0.380 37.340 1.00 50.78 C ATOM 298 C GLN A 44 24.597 -1.126 37.637 1.00 49.90 C ATOM 299 O GLN A 44 23.481 -1.561 37.921 1.00 52.25 O ATOM 300 CB GLN A 44 24.365 0.628 35.887 1.00 54.35 C ATOM 301 CG GLN A 44 24.606 2.043 35.393 1.00 57.99 C ATOM 302 CD GLN A 44 23.355 2.885 35.446 1.00 60.72 C ATOM 303 OE1 GLN A 44 22.750 3.073 36.501 1.00 64.12 O ATOM 304 NE2 GLN A 44 22.952 3.385 34.303 1.00 63.58 N ATOM 305 HE22 GLN A 44 23.494 3.201 33.435 1.00 0.00 H ATOM 306 HE21 GLN A 44 22.090 3.966 34.264 1.00 0.00 H ATOM 307 H GLN A 44 26.854 0.629 36.828 1.00 0.00 H ATOM 308 N LYS A 45 25.677 -1.904 37.553 1.00 48.00 N ATOM 309 CA LYS A 45 25.601 -3.383 37.639 1.00 47.43 C ATOM 310 C LYS A 45 26.007 -3.963 38.995 1.00 46.04 C ATOM 311 O LYS A 45 26.275 -3.215 39.928 1.00 44.07 O ATOM 312 CB LYS A 45 26.367 -4.022 36.482 1.00 48.72 C ATOM 313 CG LYS A 45 27.779 -3.581 36.272 1.00 48.64 C ATOM 314 CD LYS A 45 28.177 -3.756 34.824 1.00 50.93 C ATOM 315 CE LYS A 45 29.616 -3.287 34.643 1.00 52.36 C ATOM 316 NZ LYS A 45 30.329 -4.032 33.566 1.00 54.58 N ATOM 317 HZ1 LYS A 45 30.349 -5.045 33.802 1.00 0.00 H ATOM 318 HZ2 LYS A 45 29.831 -3.895 32.663 1.00 0.00 H ATOM 319 HZ3 LYS A 45 31.302 -3.674 33.485 1.00 0.00 H ATOM 320 H LYS A 45 26.607 -1.457 37.422 1.00 0.00 H ATOM 321 N ASP A 46 25.962 -5.284 39.144 1.00 46.90 N ATOM 322 CA ASP A 46 26.315 -5.937 40.431 1.00 49.87 C ATOM 323 C ASP A 46 27.647 -6.699 40.381 1.00 46.25 C ATOM 324 O ASP A 46 28.218 -7.040 41.418 1.00 44.48 O ATOM 325 CB ASP A 46 25.229 -6.923 40.843 1.00 55.52 C ATOM 326 CG ASP A 46 23.833 -6.391 40.580 1.00 62.18 C ATOM 327 OD1 ASP A 46 23.440 -5.467 41.326 1.00 66.75 O ATOM 328 OD2 ASP A 46 23.154 -6.890 39.637 1.00 61.81 O ATOM 329 H ASP A 46 25.672 -5.875 38.339 1.00 0.00 H ATOM 330 N THR A 47 28.107 -6.959 39.162 1.00 44.98 N ATOM 331 CA THR A 47 29.284 -7.728 38.886 1.00 43.17 C ATOM 332 C THR A 47 30.216 -6.944 37.975 1.00 41.08 C ATOM 333 O THR A 47 29.769 -6.353 36.993 1.00 40.66 O ATOM 334 CB THR A 47 28.843 -8.969 38.160 1.00 45.64 C ATOM 335 OG1 THR A 47 27.852 -9.590 38.976 1.00 48.70 O ATOM 336 CG2 THR A 47 30.027 -9.912 37.910 1.00 46.66 C ATOM 337 HG1 THR A 47 27.532 -10.416 38.534 1.00 0.00 H ATOM 338 H THR A 47 27.576 -6.578 38.353 1.00 0.00 H ATOM 339 N TYR A 48 31.502 -6.953 38.337 1.00 38.99 N ATOM 340 CA TYR A 48 32.543 -6.136 37.731 1.00 38.35 C ATOM 341 C TYR A 48 33.819 -6.906 37.660 1.00 35.86 C ATOM 342 O TYR A 48 34.052 -7.779 38.468 1.00 38.43 O ATOM 343 CB TYR A 48 32.862 -4.918 38.641 1.00 39.50 C ATOM 344 CG TYR A 48 31.674 -4.046 38.905 1.00 40.41 C ATOM 345 CD1 TYR A 48 30.765 -4.348 39.917 1.00 42.06 C ATOM 346 CD2 TYR A 48 31.398 -2.971 38.089 1.00 41.31 C ATOM 347 CE1 TYR A 48 29.634 -3.548 40.137 1.00 41.96 C ATOM 348 CE2 TYR A 48 30.275 -2.184 38.309 1.00 42.57 C ATOM 349 CZ TYR A 48 29.408 -2.472 39.324 1.00 40.35 C ATOM 350 OH TYR A 48 28.324 -1.647 39.512 1.00 43.69 O ATOM 351 HH TYR A 48 27.789 -1.976 40.277 1.00 0.00 H ATOM 352 H TYR A 48 31.780 -7.591 39.109 1.00 0.00 H ATOM 353 N THR A 49 34.680 -6.549 36.745 1.00 33.42 N ATOM 354 CA THR A 49 36.066 -6.942 36.860 1.00 33.21 C ATOM 355 C THR A 49 36.731 -6.057 37.883 1.00 32.77 C ATOM 356 O THR A 49 36.225 -4.970 38.251 1.00 31.99 O ATOM 357 CB THR A 49 36.821 -6.780 35.550 1.00 33.69 C ATOM 358 OG1 THR A 49 36.715 -5.414 35.153 1.00 34.85 O ATOM 359 CG2 THR A 49 36.220 -7.671 34.482 1.00 34.16 C ATOM 360 HG1 THR A 49 37.111 -4.837 35.853 1.00 0.00 H ATOM 361 H THR A 49 34.368 -5.981 35.932 1.00 0.00 H ATOM 362 N MET A 50 37.893 -6.485 38.334 1.00 31.72 N ATOM 363 CA MET A 50 38.610 -5.667 39.290 1.00 30.38 C ATOM 364 C MET A 50 39.067 -4.345 38.683 1.00 30.94 C ATOM 365 O MET A 50 39.137 -3.337 39.393 1.00 30.41 O ATOM 366 CB MET A 50 39.812 -6.391 39.854 1.00 30.43 C ATOM 367 CG MET A 50 39.473 -7.461 40.880 1.00 31.25 C ATOM 368 SD MET A 50 38.867 -6.887 42.463 1.00 31.57 S ATOM 369 CE MET A 50 40.299 -6.088 43.181 1.00 30.89 C ATOM 370 H MET A 50 38.287 -7.391 38.010 1.00 0.00 H ATOM 371 N LYS A 51 39.399 -4.340 37.415 1.00 30.48 N ATOM 372 CA LYS A 51 39.697 -3.062 36.761 1.00 31.63 C ATOM 373 C LYS A 51 38.579 -2.042 36.845 1.00 30.35 C ATOM 374 O LYS A 51 38.827 -0.843 36.978 1.00 29.45 O ATOM 375 CB LYS A 51 39.917 -3.321 35.284 1.00 33.99 C ATOM 376 CG LYS A 51 41.213 -4.017 34.995 1.00 35.23 C ATOM 377 CD LYS A 51 41.338 -4.250 33.522 1.00 37.99 C ATOM 378 CE LYS A 51 42.739 -4.782 33.227 1.00 39.79 C ATOM 379 NZ LYS A 51 43.063 -4.584 31.784 1.00 41.79 N ATOM 380 HZ1 LYS A 51 42.371 -5.096 31.201 1.00 0.00 H ATOM 381 HZ2 LYS A 51 43.026 -3.570 31.558 1.00 0.00 H ATOM 382 HZ3 LYS A 51 44.018 -4.948 31.591 1.00 0.00 H ATOM 383 H LYS A 51 39.450 -5.230 36.880 1.00 0.00 H ATOM 384 N GLU A 52 37.352 -2.498 36.626 1.00 28.91 N ATOM 385 CA GLU A 52 36.185 -1.649 36.666 1.00 29.13 C ATOM 386 C GLU A 52 35.974 -1.153 38.099 1.00 29.19 C ATOM 387 O GLU A 52 35.680 0.049 38.313 1.00 29.93 O ATOM 388 CB GLU A 52 34.934 -2.419 36.201 1.00 31.63 C ATOM 389 CG GLU A 52 34.882 -2.725 34.714 1.00 34.21 C ATOM 390 CD GLU A 52 33.674 -3.582 34.348 1.00 37.42 C ATOM 391 OE1 GLU A 52 33.281 -4.466 35.149 1.00 37.44 O ATOM 392 OE2 GLU A 52 33.090 -3.335 33.284 1.00 39.51 O ATOM 393 H GLU A 52 37.226 -3.509 36.417 1.00 0.00 H ATOM 394 N VAL A 53 36.147 -2.032 39.097 1.00 27.96 N ATOM 395 CA VAL A 53 36.098 -1.602 40.483 1.00 27.84 C ATOM 396 C VAL A 53 37.160 -0.514 40.778 1.00 28.13 C ATOM 397 O VAL A 53 36.855 0.495 41.453 1.00 27.35 O ATOM 398 CB VAL A 53 36.288 -2.759 41.455 1.00 28.08 C ATOM 399 CG1 VAL A 53 36.381 -2.225 42.872 1.00 27.84 C ATOM 400 CG2 VAL A 53 35.138 -3.787 41.341 1.00 28.97 C ATOM 401 H VAL A 53 36.318 -3.034 38.876 1.00 0.00 H ATOM 402 N LEU A 54 38.399 -0.721 40.319 1.00 28.23 N ATOM 403 CA LEU A 54 39.451 0.312 40.528 1.00 28.44 C ATOM 404 C LEU A 54 39.099 1.633 39.838 1.00 28.86 C ATOM 405 O LEU A 54 39.362 2.706 40.401 1.00 28.28 O ATOM 406 CB LEU A 54 40.826 -0.170 40.089 1.00 28.73 C ATOM 407 CG LEU A 54 41.669 -0.948 41.096 1.00 28.73 C ATOM 408 CD1 LEU A 54 42.086 -0.154 42.300 1.00 29.15 C ATOM 409 CD2 LEU A 54 40.942 -2.192 41.612 1.00 30.83 C ATOM 410 H LEU A 54 38.628 -1.602 39.817 1.00 0.00 H ATOM 411 N PHE A 55 38.457 1.549 38.671 1.00 29.53 N ATOM 412 CA PHE A 55 37.990 2.717 37.936 1.00 31.96 C ATOM 413 C PHE A 55 37.011 3.531 38.754 1.00 32.70 C ATOM 414 O PHE A 55 37.190 4.732 38.893 1.00 30.57 O ATOM 415 CB PHE A 55 37.377 2.408 36.562 1.00 31.27 C ATOM 416 CG PHE A 55 36.677 3.609 35.940 1.00 31.79 C ATOM 417 CD1 PHE A 55 37.394 4.557 35.239 1.00 32.40 C ATOM 418 CD2 PHE A 55 35.295 3.785 36.061 1.00 32.03 C ATOM 419 CE1 PHE A 55 36.756 5.697 34.702 1.00 33.04 C ATOM 420 CE2 PHE A 55 34.652 4.912 35.518 1.00 33.99 C ATOM 421 CZ PHE A 55 35.390 5.849 34.814 1.00 33.10 C ATOM 422 H PHE A 55 38.282 0.606 38.268 1.00 0.00 H ATOM 423 N TYR A 56 35.974 2.910 39.271 1.00 31.22 N ATOM 424 CA TYR A 56 34.983 3.676 40.015 1.00 31.65 C ATOM 425 C TYR A 56 35.459 4.161 41.348 1.00 30.09 C ATOM 426 O TYR A 56 34.996 5.185 41.806 1.00 29.77 O ATOM 427 CB TYR A 56 33.708 2.897 40.243 1.00 32.72 C ATOM 428 CG TYR A 56 32.902 2.678 39.003 1.00 36.73 C ATOM 429 CD1 TYR A 56 32.110 3.698 38.452 1.00 37.16 C ATOM 430 CD2 TYR A 56 32.890 1.422 38.385 1.00 39.22 C ATOM 431 CE1 TYR A 56 31.375 3.481 37.308 1.00 40.17 C ATOM 432 CE2 TYR A 56 32.144 1.197 37.261 1.00 40.59 C ATOM 433 CZ TYR A 56 31.396 2.214 36.726 1.00 42.71 C ATOM 434 OH TYR A 56 30.694 1.909 35.593 1.00 49.62 O ATOM 435 HH TYR A 56 30.192 2.708 35.292 1.00 0.00 H ATOM 436 H TYR A 56 35.862 1.883 39.150 1.00 0.00 H ATOM 437 N LEU A 57 36.366 3.453 41.989 1.00 28.50 N ATOM 438 CA LEU A 57 36.970 3.976 43.218 1.00 28.26 C ATOM 439 C LEU A 57 37.871 5.211 42.946 1.00 28.85 C ATOM 440 O LEU A 57 38.023 6.114 43.821 1.00 27.40 O ATOM 441 CB LEU A 57 37.806 2.902 43.899 1.00 27.07 C ATOM 442 CG LEU A 57 37.078 1.866 44.743 1.00 26.82 C ATOM 443 CD1 LEU A 57 38.060 0.704 44.908 1.00 27.24 C ATOM 444 CD2 LEU A 57 36.636 2.357 46.108 1.00 26.58 C ATOM 445 H LEU A 57 36.654 2.523 41.623 1.00 0.00 H ATOM 446 N GLY A 58 38.468 5.243 41.758 1.00 29.69 N ATOM 447 CA GLY A 58 39.238 6.421 41.312 1.00 30.64 C ATOM 448 C GLY A 58 38.283 7.615 41.133 1.00 31.51 C ATOM 449 O GLY A 58 38.554 8.734 41.581 1.00 30.90 O ATOM 450 H GLY A 58 38.391 4.419 41.128 1.00 0.00 H ATOM 451 N GLN A 59 37.138 7.331 40.510 1.00 31.03 N ATOM 452 CA GLN A 59 36.052 8.283 40.348 1.00 32.98 C ATOM 453 C GLN A 59 35.653 8.876 41.664 1.00 32.91 C ATOM 454 O GLN A 59 35.460 10.075 41.765 1.00 35.22 O ATOM 455 CB GLN A 59 34.792 7.623 39.752 1.00 33.03 C ATOM 456 CG GLN A 59 34.789 7.302 38.269 1.00 35.36 C ATOM 457 CD GLN A 59 35.161 8.468 37.398 1.00 38.59 C ATOM 458 OE1 GLN A 59 36.378 8.765 37.190 1.00 42.04 O ATOM 459 NE2 GLN A 59 34.155 9.132 36.853 1.00 37.39 N ATOM 460 HE22 GLN A 59 33.175 8.849 37.055 1.00 0.00 H ATOM 461 HE21 GLN A 59 34.344 9.937 36.222 1.00 0.00 H ATOM 462 H GLN A 59 37.016 6.375 40.119 1.00 0.00 H ATOM 463 N TYR A 60 35.447 8.030 42.663 1.00 31.47 N ATOM 464 CA TYR A 60 35.024 8.475 43.987 1.00 30.80 C ATOM 465 C TYR A 60 36.014 9.348 44.755 1.00 28.68 C ATOM 466 O TYR A 60 35.659 10.405 45.294 1.00 31.94 O ATOM 467 CB TYR A 60 34.685 7.237 44.793 1.00 30.39 C ATOM 468 CG TYR A 60 34.097 7.466 46.166 1.00 31.76 C ATOM 469 CD1 TYR A 60 32.700 7.616 46.370 1.00 32.45 C ATOM 470 CD2 TYR A 60 34.915 7.503 47.254 1.00 31.71 C ATOM 471 CE1 TYR A 60 32.194 7.817 47.644 1.00 32.42 C ATOM 472 CE2 TYR A 60 34.424 7.694 48.522 1.00 33.01 C ATOM 473 CZ TYR A 60 33.072 7.850 48.719 1.00 33.59 C ATOM 474 OH TYR A 60 32.679 7.970 50.036 1.00 35.45 O ATOM 475 HH TYR A 60 31.696 8.077 50.077 1.00 0.00 H ATOM 476 H TYR A 60 35.592 7.013 42.498 1.00 0.00 H ATOM 477 N ILE A 61 37.255 8.909 44.812 1.00 28.15 N ATOM 478 CA ILE A 61 38.369 9.609 45.461 1.00 28.28 C ATOM 479 C ILE A 61 38.488 10.988 44.861 1.00 29.78 C ATOM 480 O ILE A 61 38.662 11.958 45.556 1.00 30.87 O ATOM 481 CB ILE A 61 39.685 8.808 45.279 1.00 27.79 C ATOM 482 CG1 ILE A 61 39.637 7.525 46.098 1.00 26.55 C ATOM 483 CG2 ILE A 61 40.903 9.570 45.773 1.00 27.73 C ATOM 484 CD1 ILE A 61 40.596 6.473 45.642 1.00 26.70 C ATOM 485 H ILE A 61 37.461 7.995 44.362 1.00 0.00 H ATOM 486 N MET A 62 38.351 11.050 43.557 1.00 31.27 N ATOM 487 CA MET A 62 38.504 12.274 42.810 1.00 32.89 C ATOM 488 C MET A 62 37.351 13.210 43.121 1.00 34.22 C ATOM 489 O MET A 62 37.588 14.297 43.594 1.00 35.00 O ATOM 490 CB MET A 62 38.535 11.930 41.347 1.00 33.19 C ATOM 491 CG MET A 62 38.747 13.056 40.421 1.00 38.06 C ATOM 492 SD MET A 62 40.287 13.881 40.822 1.00 42.83 S ATOM 493 CE MET A 62 40.681 14.760 39.287 1.00 40.84 C ATOM 494 H MET A 62 38.122 10.177 43.039 1.00 0.00 H ATOM 495 N THR A 63 36.114 12.767 42.893 1.00 34.69 N ATOM 496 CA THR A 63 34.964 13.589 43.105 1.00 36.61 C ATOM 497 C THR A 63 34.802 14.114 44.571 1.00 37.68 C ATOM 498 O THR A 63 34.347 15.219 44.745 1.00 37.61 O ATOM 499 CB THR A 63 33.686 12.915 42.598 1.00 37.75 C ATOM 500 OG1 THR A 63 32.681 13.903 42.388 1.00 38.73 O ATOM 501 CG2 THR A 63 33.147 11.949 43.577 1.00 39.24 C ATOM 502 HG1 THR A 63 32.494 14.368 43.242 1.00 0.00 H ATOM 503 H THR A 63 35.982 11.794 42.551 1.00 0.00 H ATOM 504 N LYS A 64 35.233 13.363 45.589 1.00 35.30 N ATOM 505 CA LYS A 64 35.215 13.824 46.977 1.00 35.61 C ATOM 506 C LYS A 64 36.504 14.549 47.395 1.00 35.80 C ATOM 507 O LYS A 64 36.664 14.964 48.557 1.00 35.71 O ATOM 508 CB LYS A 64 34.922 12.631 47.888 1.00 35.50 C ATOM 509 CG LYS A 64 33.572 12.043 47.500 1.00 37.33 C ATOM 510 CD LYS A 64 32.863 11.231 48.549 1.00 38.65 C ATOM 511 CE LYS A 64 32.169 12.078 49.602 1.00 40.28 C ATOM 512 NZ LYS A 64 31.864 11.074 50.673 1.00 43.78 N ATOM 513 HZ1 LYS A 64 31.251 10.329 50.284 1.00 0.00 H ATOM 514 HZ2 LYS A 64 32.751 10.652 51.013 1.00 0.00 H ATOM 515 HZ3 LYS A 64 31.379 11.547 51.462 1.00 0.00 H ATOM 516 H LYS A 64 35.597 12.410 45.386 1.00 0.00 H ATOM 517 N ARG A 65 37.414 14.695 46.434 1.00 34.44 N ATOM 518 CA ARG A 65 38.712 15.282 46.653 1.00 34.92 C ATOM 519 C ARG A 65 39.348 14.687 47.915 1.00 32.20 C ATOM 520 O ARG A 65 39.719 15.424 48.823 1.00 30.47 O ATOM 521 CB ARG A 65 38.577 16.832 46.789 1.00 36.96 C ATOM 522 CG ARG A 65 37.708 17.571 45.780 1.00 39.74 C ATOM 523 CD ARG A 65 37.243 18.921 46.392 1.00 42.47 C ATOM 524 NE ARG A 65 38.230 19.444 47.357 1.00 43.96 N ATOM 525 CZ ARG A 65 38.446 20.708 47.658 1.00 46.27 C ATOM 526 NH1 ARG A 65 37.743 21.680 47.104 1.00 48.36 N ATOM 527 NH2 ARG A 65 39.386 20.989 48.538 1.00 48.20 N ATOM 528 HE ARG A 65 38.816 18.741 47.851 1.00 0.00 H ATOM 529 HH12 ARG A 65 37.934 22.670 47.359 1.00 0.00 H ATOM 530 HH11 ARG A 65 36.999 21.455 46.413 1.00 0.00 H ATOM 531 HH22 ARG A 65 39.579 21.978 48.795 1.00 0.00 H ATOM 532 HH21 ARG A 65 39.935 20.222 48.975 1.00 0.00 H ATOM 533 H ARG A 65 37.176 14.369 45.476 1.00 0.00 H ATOM 534 N LEU A 66 39.425 13.350 48.010 1.00 30.68 N ATOM 535 CA LEU A 66 40.051 12.742 49.180 1.00 30.56 C ATOM 536 C LEU A 66 41.598 12.818 49.105 1.00 31.22 C ATOM 537 O LEU A 66 42.271 12.721 50.144 1.00 30.53 O ATOM 538 CB LEU A 66 39.586 11.299 49.402 1.00 30.71 C ATOM 539 CG LEU A 66 38.063 11.185 49.625 1.00 31.16 C ATOM 540 CD1 LEU A 66 37.734 9.718 49.801 1.00 31.25 C ATOM 541 CD2 LEU A 66 37.568 11.937 50.824 1.00 31.22 C ATOM 542 H LEU A 66 39.040 12.750 47.253 1.00 0.00 H ATOM 543 N TYR A 67 42.148 12.986 47.907 1.00 30.77 N ATOM 544 CA TYR A 67 43.600 13.145 47.772 1.00 32.71 C ATOM 545 C TYR A 67 43.960 14.394 48.493 1.00 34.44 C ATOM 546 O TYR A 67 43.141 15.298 48.590 1.00 35.49 O ATOM 547 CB TYR A 67 44.062 13.179 46.308 1.00 32.45 C ATOM 548 CG TYR A 67 43.486 14.283 45.548 1.00 32.44 C ATOM 549 CD1 TYR A 67 44.145 15.494 45.481 1.00 33.97 C ATOM 550 CD2 TYR A 67 42.254 14.172 44.941 1.00 32.39 C ATOM 551 CE1 TYR A 67 43.599 16.559 44.806 1.00 35.95 C ATOM 552 CE2 TYR A 67 41.694 15.241 44.273 1.00 35.62 C ATOM 553 CZ TYR A 67 42.384 16.433 44.215 1.00 36.54 C ATOM 554 OH TYR A 67 41.871 17.528 43.580 1.00 42.14 O ATOM 555 HH TYR A 67 42.513 18.279 43.649 1.00 0.00 H ATOM 556 H TYR A 67 41.545 13.005 47.060 1.00 0.00 H ATOM 557 N ASP A 68 45.160 14.412 49.060 1.00 35.92 N ATOM 558 CA ASP A 68 45.652 15.574 49.766 1.00 38.65 C ATOM 559 C ASP A 68 46.013 16.670 48.756 1.00 38.30 C ATOM 560 O ASP A 68 46.628 16.375 47.727 1.00 36.14 O ATOM 561 CB ASP A 68 46.894 15.208 50.556 1.00 41.23 C ATOM 562 CG ASP A 68 47.369 16.336 51.411 1.00 44.58 C ATOM 563 OD1 ASP A 68 48.462 16.878 51.160 1.00 46.94 O ATOM 564 OD2 ASP A 68 46.611 16.700 52.319 1.00 47.48 O ATOM 565 H ASP A 68 45.763 13.567 48.995 1.00 0.00 H ATOM 566 N GLU A 69 45.645 17.928 49.030 1.00 40.29 N ATOM 567 CA GLU A 69 46.007 19.032 48.086 1.00 41.22 C ATOM 568 C GLU A 69 47.516 19.153 47.820 1.00 42.22 C ATOM 569 O GLU A 69 47.931 19.402 46.693 1.00 42.60 O ATOM 570 CB GLU A 69 45.474 20.395 48.565 1.00 43.10 C ATOM 571 CG GLU A 69 44.075 20.740 48.047 1.00 42.78 C ATOM 572 CD GLU A 69 43.865 20.381 46.574 1.00 41.92 C ATOM 573 OE1 GLU A 69 42.718 20.149 46.179 1.00 39.46 O ATOM 574 OE2 GLU A 69 44.854 20.319 45.810 1.00 43.74 O ATOM 575 H GLU A 69 45.109 18.138 49.896 1.00 0.00 H ATOM 576 N LYS A 70 48.318 18.974 48.866 1.00 43.52 N ATOM 577 CA LYS A 70 49.768 19.124 48.787 1.00 44.64 C ATOM 578 C LYS A 70 50.401 17.842 48.252 1.00 47.67 C ATOM 579 O LYS A 70 51.276 17.882 47.385 1.00 49.21 O ATOM 580 CB LYS A 70 50.358 19.456 50.164 1.00 45.50 C ATOM 581 H LYS A 70 47.894 18.716 49.780 1.00 0.00 H ATOM 582 N GLN A 71 49.966 16.693 48.743 1.00 46.52 N ATOM 583 CA GLN A 71 50.551 15.439 48.243 1.00 46.78 C ATOM 584 C GLN A 71 49.483 14.578 47.656 1.00 42.21 C ATOM 585 O GLN A 71 48.831 13.837 48.360 1.00 42.96 O ATOM 586 CB GLN A 71 51.289 14.722 49.337 1.00 50.08 C ATOM 587 CG GLN A 71 52.681 15.289 49.514 1.00 57.09 C ATOM 588 CD GLN A 71 53.539 14.345 50.302 1.00 60.80 C ATOM 589 OE1 GLN A 71 54.688 14.069 49.921 1.00 63.35 O ATOM 590 NE2 GLN A 71 52.967 13.798 51.395 1.00 59.58 N ATOM 591 HE22 GLN A 71 52.000 14.068 51.666 1.00 0.00 H ATOM 592 HE21 GLN A 71 53.493 13.106 51.966 1.00 0.00 H ATOM 593 H GLN A 71 49.223 16.676 49.470 1.00 0.00 H ATOM 594 N GLN A 72 49.368 14.636 46.343 1.00 38.50 N ATOM 595 CA GLN A 72 48.161 14.278 45.714 1.00 38.34 C ATOM 596 C GLN A 72 48.069 12.777 45.494 1.00 35.53 C ATOM 597 O GLN A 72 47.059 12.303 45.060 1.00 35.10 O ATOM 598 CB GLN A 72 48.066 15.015 44.405 1.00 40.49 C ATOM 599 CG GLN A 72 48.221 16.546 44.560 1.00 44.46 C ATOM 600 CD GLN A 72 47.957 17.245 43.266 1.00 45.83 C ATOM 601 OE1 GLN A 72 47.225 18.231 43.234 1.00 50.65 O ATOM 602 NE2 GLN A 72 48.483 16.680 42.162 1.00 46.82 N ATOM 603 HE22 GLN A 72 49.097 15.845 42.247 1.00 0.00 H ATOM 604 HE21 GLN A 72 48.275 17.079 41.224 1.00 0.00 H ATOM 605 H GLN A 72 50.176 14.949 45.768 1.00 0.00 H ATOM 606 N HIS A 73 49.152 12.076 45.783 1.00 35.34 N ATOM 607 CA HIS A 73 49.176 10.629 45.783 1.00 34.77 C ATOM 608 C HIS A 73 48.802 10.035 47.124 1.00 32.90 C ATOM 609 O HIS A 73 48.685 8.831 47.241 1.00 33.34 O ATOM 610 CB HIS A 73 50.568 10.139 45.371 1.00 35.65 C ATOM 611 CG HIS A 73 51.618 10.447 46.372 1.00 36.98 C ATOM 612 ND1 HIS A 73 52.347 11.602 46.336 1.00 37.11 N ATOM 613 CD2 HIS A 73 52.062 9.755 47.444 1.00 38.30 C ATOM 614 CE1 HIS A 73 53.183 11.631 47.351 1.00 39.21 C ATOM 615 NE2 HIS A 73 53.037 10.517 48.039 1.00 39.54 N ATOM 616 H HIS A 73 50.026 12.587 46.021 1.00 0.00 H ATOM 617 N ILE A 74 48.584 10.861 48.140 1.00 33.05 N ATOM 618 CA ILE A 74 48.102 10.378 49.449 1.00 32.45 C ATOM 619 C ILE A 74 46.623 10.662 49.503 1.00 31.16 C ATOM 620 O ILE A 74 46.172 11.778 49.180 1.00 31.40 O ATOM 621 CB ILE A 74 48.826 11.072 50.616 1.00 33.42 C ATOM 622 CG1 ILE A 74 50.354 10.863 50.510 1.00 34.87 C ATOM 623 CG2 ILE A 74 48.225 10.646 51.956 1.00 33.50 C ATOM 624 CD1 ILE A 74 50.804 9.403 50.530 1.00 36.47 C ATOM 625 H ILE A 74 48.758 11.878 48.010 1.00 0.00 H ATOM 626 N VAL A 75 45.861 9.632 49.830 1.00 29.75 N ATOM 627 CA VAL A 75 44.419 9.733 49.977 1.00 29.99 C ATOM 628 C VAL A 75 44.128 9.659 51.436 1.00 30.99 C ATOM 629 O VAL A 75 44.568 8.725 52.110 1.00 32.02 O ATOM 630 CB VAL A 75 43.720 8.547 49.280 1.00 30.55 C ATOM 631 CG1 VAL A 75 42.206 8.487 49.573 1.00 29.66 C ATOM 632 CG2 VAL A 75 43.997 8.614 47.794 1.00 30.96 C ATOM 633 H VAL A 75 46.314 8.709 49.989 1.00 0.00 H ATOM 634 N TYR A 76 43.404 10.639 51.949 1.00 30.40 N ATOM 635 CA TYR A 76 42.856 10.590 53.292 1.00 30.83 C ATOM 636 C TYR A 76 41.434 10.119 53.229 1.00 30.24 C ATOM 637 O TYR A 76 40.537 10.894 52.849 1.00 29.71 O ATOM 638 CB TYR A 76 42.896 11.959 53.924 1.00 33.07 C ATOM 639 CG TYR A 76 44.293 12.300 54.327 1.00 34.94 C ATOM 640 CD1 TYR A 76 44.800 11.814 55.497 1.00 37.42 C ATOM 641 CD2 TYR A 76 45.091 13.107 53.535 1.00 36.76 C ATOM 642 CE1 TYR A 76 46.075 12.105 55.898 1.00 40.73 C ATOM 643 CE2 TYR A 76 46.369 13.420 53.908 1.00 38.92 C ATOM 644 CZ TYR A 76 46.852 12.901 55.089 1.00 41.26 C ATOM 645 OH TYR A 76 48.105 13.173 55.499 1.00 47.36 O ATOM 646 HH TYR A 76 48.275 12.718 56.362 1.00 0.00 H ATOM 647 H TYR A 76 43.219 11.480 51.366 1.00 0.00 H ATOM 648 N CYS A 77 41.239 8.828 53.565 1.00 30.32 N ATOM 649 CA CYS A 77 39.920 8.196 53.555 1.00 30.76 C ATOM 650 C CYS A 77 39.295 8.133 54.954 1.00 31.57 C ATOM 651 O CYS A 77 38.161 7.645 55.108 1.00 31.60 O ATOM 652 CB CYS A 77 40.012 6.784 52.932 1.00 30.04 C ATOM 653 SG CYS A 77 41.328 5.794 53.634 1.00 30.80 S ATOM 654 H CYS A 77 42.062 8.257 53.843 1.00 0.00 H ATOM 655 N SER A 78 40.016 8.628 55.962 1.00 33.10 N ATOM 656 CA SER A 78 39.547 8.603 57.348 1.00 35.44 C ATOM 657 C SER A 78 38.203 9.292 57.466 1.00 34.60 C ATOM 658 O SER A 78 37.994 10.307 56.848 1.00 33.56 O ATOM 659 CB SER A 78 40.549 9.308 58.236 1.00 39.58 C ATOM 660 OG SER A 78 40.539 10.736 57.956 1.00 45.28 O ATOM 661 HG SER A 78 39.635 11.099 58.130 1.00 0.00 H ATOM 662 H SER A 78 40.945 9.047 55.755 1.00 0.00 H ATOM 663 N ASN A 79 37.300 8.737 58.258 1.00 33.52 N ATOM 664 CA ASN A 79 35.997 9.332 58.484 1.00 35.84 C ATOM 665 C ASN A 79 35.113 9.353 57.273 1.00 35.97 C ATOM 666 O ASN A 79 34.211 10.164 57.177 1.00 36.00 O ATOM 667 CB ASN A 79 36.165 10.806 59.003 1.00 35.75 C ATOM 668 CG ASN A 79 36.984 10.849 60.248 1.00 36.75 C ATOM 669 OD1 ASN A 79 36.731 10.048 61.150 1.00 39.06 O ATOM 670 ND2 ASN A 79 38.033 11.688 60.294 1.00 36.26 N ATOM 671 HD22 ASN A 79 38.207 12.347 59.508 1.00 0.00 H ATOM 672 HD21 ASN A 79 38.671 11.678 61.115 1.00 0.00 H ATOM 673 H ASN A 79 37.533 7.843 58.735 1.00 0.00 H ATOM 674 N ASP A 80 35.409 8.499 56.324 1.00 35.45 N ATOM 675 CA ASP A 80 34.670 8.417 55.104 1.00 35.36 C ATOM 676 C ASP A 80 34.361 6.959 54.909 1.00 35.27 C ATOM 677 O ASP A 80 35.131 6.113 55.344 1.00 30.89 O ATOM 678 CB ASP A 80 35.533 8.891 53.944 1.00 36.03 C ATOM 679 CG ASP A 80 34.762 8.963 52.616 1.00 36.23 C ATOM 680 OD1 ASP A 80 34.070 9.960 52.310 1.00 35.53 O ATOM 681 OD2 ASP A 80 34.875 7.998 51.845 1.00 36.67 O ATOM 682 H ASP A 80 36.214 7.855 56.465 1.00 0.00 H ATOM 683 N LEU A 81 33.257 6.692 54.219 1.00 36.89 N ATOM 684 CA LEU A 81 32.911 5.317 53.829 1.00 38.29 C ATOM 685 C LEU A 81 34.139 4.573 53.289 1.00 36.76 C ATOM 686 O LEU A 81 34.320 3.382 53.558 1.00 35.36 O ATOM 687 CB LEU A 81 31.840 5.324 52.747 1.00 38.55 C ATOM 688 CG LEU A 81 30.848 4.153 52.650 1.00 40.84 C ATOM 689 CD1 LEU A 81 30.479 3.949 51.181 1.00 41.04 C ATOM 690 CD2 LEU A 81 31.249 2.859 53.308 1.00 40.28 C ATOM 691 H LEU A 81 32.624 7.472 53.949 1.00 0.00 H ATOM 692 N LEU A 82 34.954 5.241 52.480 1.00 34.75 N ATOM 693 CA LEU A 82 36.139 4.537 51.968 1.00 33.55 C ATOM 694 C LEU A 82 37.042 4.068 53.103 1.00 33.93 C ATOM 695 O LEU A 82 37.667 2.965 53.041 1.00 32.71 O ATOM 696 CB LEU A 82 36.904 5.406 50.959 1.00 33.28 C ATOM 697 CG LEU A 82 38.185 4.789 50.353 1.00 32.87 C ATOM 698 CD1 LEU A 82 37.910 3.481 49.630 1.00 31.64 C ATOM 699 CD2 LEU A 82 38.829 5.760 49.382 1.00 33.08 C ATOM 700 H LEU A 82 34.760 6.229 52.218 1.00 0.00 H ATOM 701 N GLY A 83 37.120 4.888 54.145 1.00 32.93 N ATOM 702 CA GLY A 83 37.915 4.570 55.302 1.00 32.97 C ATOM 703 C GLY A 83 37.330 3.383 56.039 1.00 33.62 C ATOM 704 O GLY A 83 38.074 2.523 56.528 1.00 33.94 O ATOM 705 H GLY A 83 36.592 5.784 54.124 1.00 0.00 H ATOM 706 N ASP A 84 36.019 3.321 56.131 1.00 33.70 N ATOM 707 CA ASP A 84 35.357 2.118 56.641 1.00 37.73 C ATOM 708 C ASP A 84 35.742 0.823 55.877 1.00 34.97 C ATOM 709 O ASP A 84 36.216 -0.124 56.434 1.00 37.25 O ATOM 710 CB ASP A 84 33.833 2.297 56.583 1.00 42.86 C ATOM 711 CG ASP A 84 33.367 3.512 57.337 1.00 46.06 C ATOM 712 OD1 ASP A 84 34.021 3.878 58.337 1.00 54.07 O ATOM 713 OD2 ASP A 84 32.347 4.115 56.950 1.00 52.97 O ATOM 714 H ASP A 84 35.445 4.137 55.838 1.00 0.00 H ATOM 715 N LEU A 85 35.550 0.840 54.593 1.00 34.37 N ATOM 716 CA LEU A 85 35.836 -0.271 53.728 1.00 36.34 C ATOM 717 C LEU A 85 37.265 -0.747 53.752 1.00 37.30 C ATOM 718 O LEU A 85 37.526 -1.974 53.780 1.00 37.52 O ATOM 719 CB LEU A 85 35.578 0.149 52.287 1.00 38.46 C ATOM 720 CG LEU A 85 34.171 -0.072 51.739 1.00 40.85 C ATOM 721 CD1 LEU A 85 33.089 -0.112 52.795 1.00 43.32 C ATOM 722 CD2 LEU A 85 33.894 0.944 50.663 1.00 41.28 C ATOM 723 H LEU A 85 35.167 1.708 54.166 1.00 0.00 H ATOM 724 N PHE A 86 38.187 0.203 53.672 1.00 32.16 N ATOM 725 CA PHE A 86 39.597 -0.137 53.625 1.00 33.04 C ATOM 726 C PHE A 86 40.234 -0.409 54.998 1.00 33.36 C ATOM 727 O PHE A 86 41.232 -1.105 55.075 1.00 31.26 O ATOM 728 CB PHE A 86 40.382 0.951 52.899 1.00 31.58 C ATOM 729 CG PHE A 86 40.311 0.875 51.387 1.00 31.23 C ATOM 730 CD1 PHE A 86 39.374 0.077 50.724 1.00 30.05 C ATOM 731 CD2 PHE A 86 41.172 1.673 50.597 1.00 29.96 C ATOM 732 CE1 PHE A 86 39.323 0.040 49.338 1.00 29.81 C ATOM 733 CE2 PHE A 86 41.139 1.608 49.209 1.00 28.91 C ATOM 734 CZ PHE A 86 40.213 0.789 48.575 1.00 29.12 C ATOM 735 H PHE A 86 37.897 1.201 53.643 1.00 0.00 H ATOM 736 N GLY A 87 39.680 0.182 56.050 1.00 33.69 N ATOM 737 CA GLY A 87 40.165 0.006 57.405 1.00 34.32 C ATOM 738 C GLY A 87 41.470 0.735 57.694 1.00 34.40 C ATOM 739 O GLY A 87 42.233 0.326 58.563 1.00 33.74 O ATOM 740 H GLY A 87 38.859 0.801 55.895 1.00 0.00 H ATOM 741 N VAL A 88 41.756 1.791 56.949 1.00 33.33 N ATOM 742 CA VAL A 88 42.913 2.650 57.253 1.00 33.64 C ATOM 743 C VAL A 88 42.504 4.112 57.193 1.00 32.50 C ATOM 744 O VAL A 88 41.578 4.426 56.489 1.00 33.21 O ATOM 745 CB VAL A 88 44.074 2.458 56.263 1.00 33.78 C ATOM 746 CG1 VAL A 88 44.675 1.032 56.381 1.00 35.20 C ATOM 747 CG2 VAL A 88 43.690 2.831 54.829 1.00 32.26 C ATOM 748 H VAL A 88 41.152 2.018 56.133 1.00 0.00 H ATOM 749 N PRO A 89 43.234 4.995 57.892 1.00 33.64 N ATOM 750 CA PRO A 89 43.042 6.462 57.756 1.00 33.84 C ATOM 751 C PRO A 89 43.538 7.077 56.431 1.00 33.03 C ATOM 752 O PRO A 89 42.956 8.038 55.896 1.00 30.61 O ATOM 753 CB PRO A 89 43.813 7.027 58.956 1.00 34.58 C ATOM 754 CG PRO A 89 44.900 6.057 59.220 1.00 35.19 C ATOM 755 CD PRO A 89 44.370 4.675 58.793 1.00 34.17 C ATOM 756 N SER A 90 44.599 6.526 55.884 1.00 33.09 N ATOM 757 CA SER A 90 45.172 7.084 54.680 1.00 33.95 C ATOM 758 C SER A 90 45.966 6.043 53.949 1.00 32.75 C ATOM 759 O SER A 90 46.333 5.053 54.534 1.00 33.87 O ATOM 760 CB SER A 90 46.071 8.271 55.031 1.00 33.92 C ATOM 761 OG SER A 90 47.288 7.818 55.567 1.00 35.10 O ATOM 762 HG SER A 90 47.859 8.596 55.789 1.00 0.00 H ATOM 763 H SER A 90 45.028 5.685 56.320 1.00 0.00 H ATOM 764 N PHE A 91 46.208 6.262 52.672 1.00 32.14 N ATOM 765 CA PHE A 91 47.049 5.369 51.906 1.00 32.51 C ATOM 766 C PHE A 91 47.607 6.072 50.668 1.00 33.98 C ATOM 767 O PHE A 91 47.079 7.081 50.205 1.00 34.85 O ATOM 768 CB PHE A 91 46.284 4.078 51.507 1.00 31.91 C ATOM 769 CG PHE A 91 45.183 4.307 50.526 1.00 30.03 C ATOM 770 CD1 PHE A 91 43.893 4.546 50.968 1.00 30.67 C ATOM 771 CD2 PHE A 91 45.443 4.299 49.189 1.00 28.65 C ATOM 772 CE1 PHE A 91 42.872 4.796 50.064 1.00 29.49 C ATOM 773 CE2 PHE A 91 44.444 4.529 48.291 1.00 30.21 C ATOM 774 CZ PHE A 91 43.155 4.760 48.722 1.00 29.91 C ATOM 775 H PHE A 91 45.787 7.091 52.207 1.00 0.00 H ATOM 776 N SER A 92 48.661 5.502 50.116 1.00 33.87 N ATOM 777 CA SER A 92 49.302 6.029 48.912 1.00 33.70 C ATOM 778 C SER A 92 48.797 5.309 47.667 1.00 32.72 C ATOM 779 O SER A 92 48.667 4.087 47.682 1.00 29.89 O ATOM 780 CB SER A 92 50.821 5.799 48.966 1.00 33.64 C ATOM 781 OG SER A 92 51.369 6.142 47.714 1.00 34.52 O ATOM 782 HG SER A 92 52.348 5.999 47.733 1.00 0.00 H ATOM 783 H SER A 92 49.052 4.644 50.555 1.00 0.00 H ATOM 784 N VAL A 93 48.521 6.065 46.607 1.00 31.40 N ATOM 785 CA VAL A 93 47.982 5.503 45.381 1.00 31.28 C ATOM 786 C VAL A 93 49.056 4.793 44.585 1.00 30.78 C ATOM 787 O VAL A 93 48.744 4.153 43.614 1.00 28.68 O ATOM 788 CB VAL A 93 47.267 6.522 44.480 1.00 32.50 C ATOM 789 CG1 VAL A 93 46.120 7.190 45.211 1.00 32.45 C ATOM 790 CG2 VAL A 93 48.211 7.600 43.957 1.00 35.13 C ATOM 791 H VAL A 93 48.697 7.089 46.658 1.00 0.00 H ATOM 792 N LYS A 94 50.319 4.915 44.994 1.00 31.05 N ATOM 793 CA LYS A 94 51.387 4.172 44.352 1.00 33.10 C ATOM 794 C LYS A 94 51.537 2.694 44.760 1.00 34.15 C ATOM 795 O LYS A 94 52.349 1.993 44.152 1.00 32.56 O ATOM 796 CB LYS A 94 52.720 4.850 44.625 1.00 35.04 C ATOM 797 CG LYS A 94 52.761 6.309 44.162 1.00 36.43 C ATOM 798 CD LYS A 94 54.078 6.918 44.574 1.00 39.50 C ATOM 799 CE LYS A 94 54.338 8.215 43.808 1.00 42.58 C ATOM 800 NZ LYS A 94 55.394 9.015 44.492 1.00 44.63 N ATOM 801 HZ1 LYS A 94 55.082 9.246 45.457 1.00 0.00 H ATOM 802 HZ2 LYS A 94 56.274 8.462 44.534 1.00 0.00 H ATOM 803 HZ3 LYS A 94 55.560 9.893 43.961 1.00 0.00 H ATOM 804 H LYS A 94 50.542 5.552 45.785 1.00 0.00 H ATOM 805 N GLU A 95 50.818 2.261 45.794 1.00 33.62 N ATOM 806 CA GLU A 95 51.087 0.980 46.438 1.00 38.03 C ATOM 807 C GLU A 95 49.948 0.084 46.105 1.00 32.05 C ATOM 808 O GLU A 95 49.024 -0.029 46.864 1.00 31.20 O ATOM 809 CB GLU A 95 51.235 1.186 47.934 1.00 42.37 C ATOM 810 CG GLU A 95 52.444 2.071 48.226 1.00 50.07 C ATOM 811 CD GLU A 95 52.955 1.931 49.639 1.00 54.39 C ATOM 812 OE1 GLU A 95 54.178 1.735 49.785 1.00 61.76 O ATOM 813 OE2 GLU A 95 52.144 2.009 50.584 1.00 56.18 O ATOM 814 H GLU A 95 50.042 2.853 46.153 1.00 0.00 H ATOM 815 N HIS A 96 49.996 -0.451 44.908 1.00 31.07 N ATOM 816 CA HIS A 96 48.805 -1.037 44.285 1.00 30.45 C ATOM 817 C HIS A 96 48.396 -2.354 44.909 1.00 30.37 C ATOM 818 O HIS A 96 47.205 -2.632 45.000 1.00 30.31 O ATOM 819 CB HIS A 96 49.047 -1.251 42.796 1.00 31.12 C ATOM 820 CG HIS A 96 49.208 0.026 42.025 1.00 32.81 C ATOM 821 ND1 HIS A 96 49.297 0.056 40.653 1.00 33.23 N ATOM 822 CD2 HIS A 96 49.234 1.314 42.429 1.00 32.23 C ATOM 823 CE1 HIS A 96 49.391 1.302 40.241 1.00 32.98 C ATOM 824 NE2 HIS A 96 49.372 2.083 41.300 1.00 33.59 N ATOM 825 H HIS A 96 50.898 -0.460 44.390 1.00 0.00 H ATOM 826 N ARG A 97 49.381 -3.174 45.261 1.00 30.11 N ATOM 827 CA ARG A 97 49.135 -4.492 45.883 1.00 31.76 C ATOM 828 C ARG A 97 48.422 -4.247 47.183 1.00 31.68 C ATOM 829 O ARG A 97 47.442 -4.926 47.539 1.00 32.52 O ATOM 830 CB ARG A 97 50.459 -5.220 46.128 1.00 31.02 C ATOM 831 CG ARG A 97 50.322 -6.436 46.986 1.00 31.86 C ATOM 832 CD ARG A 97 49.233 -7.397 46.490 1.00 30.97 C ATOM 833 NE ARG A 97 49.496 -7.937 45.167 1.00 30.42 N ATOM 834 CZ ARG A 97 48.574 -8.514 44.411 1.00 30.92 C ATOM 835 NH1 ARG A 97 47.349 -8.641 44.864 1.00 32.27 N ATOM 836 NH2 ARG A 97 48.864 -9.007 43.224 1.00 32.44 N ATOM 837 HE ARG A 97 50.464 -7.866 44.792 1.00 0.00 H ATOM 838 HH12 ARG A 97 46.621 -9.093 44.275 1.00 0.00 H ATOM 839 HH11 ARG A 97 47.106 -8.289 45.812 1.00 0.00 H ATOM 840 HH22 ARG A 97 48.120 -9.455 42.651 1.00 0.00 H ATOM 841 HH21 ARG A 97 49.836 -8.948 42.860 1.00 0.00 H ATOM 842 H ARG A 97 50.363 -2.877 45.092 1.00 0.00 H ATOM 843 N LYS A 98 48.909 -3.262 47.897 1.00 31.28 N ATOM 844 CA LYS A 98 48.260 -2.847 49.133 1.00 32.91 C ATOM 845 C LYS A 98 46.808 -2.472 48.907 1.00 30.43 C ATOM 846 O LYS A 98 45.928 -2.853 49.663 1.00 28.66 O ATOM 847 CB LYS A 98 49.028 -1.685 49.752 1.00 36.69 C ATOM 848 CG LYS A 98 48.467 -1.224 51.078 1.00 41.28 C ATOM 849 CD LYS A 98 49.338 -0.139 51.751 1.00 47.01 C ATOM 850 CE LYS A 98 48.719 0.292 53.083 1.00 48.30 C ATOM 851 NZ LYS A 98 49.271 1.590 53.575 1.00 51.16 N ATOM 852 HZ1 LYS A 98 50.298 1.499 53.712 1.00 0.00 H ATOM 853 HZ2 LYS A 98 49.078 2.335 52.875 1.00 0.00 H ATOM 854 HZ3 LYS A 98 48.820 1.837 54.479 1.00 0.00 H ATOM 855 H LYS A 98 49.768 -2.771 47.578 1.00 0.00 H ATOM 856 N ILE A 99 46.566 -1.721 47.853 1.00 30.00 N ATOM 857 CA ILE A 99 45.217 -1.274 47.545 1.00 30.64 C ATOM 858 C ILE A 99 44.319 -2.489 47.163 1.00 30.87 C ATOM 859 O ILE A 99 43.170 -2.550 47.575 1.00 31.02 O ATOM 860 CB ILE A 99 45.163 -0.220 46.436 1.00 29.34 C ATOM 861 CG1 ILE A 99 45.610 1.148 46.960 1.00 29.64 C ATOM 862 CG2 ILE A 99 43.702 -0.061 45.996 1.00 29.76 C ATOM 863 CD1 ILE A 99 46.040 2.158 45.902 1.00 29.50 C ATOM 864 H ILE A 99 47.352 -1.443 47.231 1.00 0.00 H ATOM 865 N TYR A 100 44.854 -3.430 46.381 1.00 30.09 N ATOM 866 CA TYR A 100 44.120 -4.646 46.054 1.00 30.13 C ATOM 867 C TYR A 100 43.813 -5.446 47.333 1.00 28.13 C ATOM 868 O TYR A 100 42.707 -5.918 47.534 1.00 26.85 O ATOM 869 CB TYR A 100 44.918 -5.480 45.027 1.00 30.50 C ATOM 870 CG TYR A 100 44.484 -5.217 43.596 1.00 30.52 C ATOM 871 CD1 TYR A 100 44.697 -3.998 42.987 1.00 30.88 C ATOM 872 CD2 TYR A 100 43.819 -6.212 42.866 1.00 32.31 C ATOM 873 CE1 TYR A 100 44.278 -3.777 41.691 1.00 31.07 C ATOM 874 CE2 TYR A 100 43.394 -6.018 41.570 1.00 31.67 C ATOM 875 CZ TYR A 100 43.600 -4.780 40.993 1.00 31.06 C ATOM 876 OH TYR A 100 43.166 -4.601 39.699 1.00 30.00 O ATOM 877 HH TYR A 100 43.373 -3.678 39.408 1.00 0.00 H ATOM 878 H TYR A 100 45.811 -3.293 45.999 1.00 0.00 H ATOM 879 N THR A 101 44.777 -5.556 48.225 1.00 28.88 N ATOM 880 CA THR A 101 44.543 -6.249 49.503 1.00 31.28 C ATOM 881 C THR A 101 43.347 -5.627 50.225 1.00 32.45 C ATOM 882 O THR A 101 42.484 -6.312 50.742 1.00 32.88 O ATOM 883 CB THR A 101 45.808 -6.212 50.383 1.00 32.06 C ATOM 884 OG1 THR A 101 46.846 -7.016 49.784 1.00 31.96 O ATOM 885 CG2 THR A 101 45.529 -6.630 51.834 1.00 32.01 C ATOM 886 HG1 THR A 101 47.655 -6.987 50.354 1.00 0.00 H ATOM 887 H THR A 101 45.713 -5.149 48.024 1.00 0.00 H ATOM 888 N MET A 102 43.279 -4.302 50.252 1.00 31.53 N ATOM 889 CA MET A 102 42.195 -3.626 50.968 1.00 30.62 C ATOM 890 C MET A 102 40.814 -3.772 50.315 1.00 29.34 C ATOM 891 O MET A 102 39.835 -3.782 50.990 1.00 28.87 O ATOM 892 CB MET A 102 42.577 -2.139 51.213 1.00 30.90 C ATOM 893 CG MET A 102 43.696 -1.933 52.228 1.00 30.28 C ATOM 894 SD MET A 102 44.120 -0.177 52.602 1.00 29.76 S ATOM 895 CE MET A 102 44.770 0.330 51.023 1.00 29.93 C ATOM 896 H MET A 102 44.002 -3.739 49.760 1.00 0.00 H ATOM 897 N ILE A 103 40.752 -3.857 48.998 1.00 29.03 N ATOM 898 CA ILE A 103 39.516 -3.929 48.292 1.00 29.06 C ATOM 899 C ILE A 103 38.906 -5.337 48.436 1.00 30.20 C ATOM 900 O ILE A 103 37.693 -5.484 48.459 1.00 30.53 O ATOM 901 CB ILE A 103 39.737 -3.668 46.802 1.00 28.68 C ATOM 902 CG1 ILE A 103 40.040 -2.154 46.537 1.00 27.55 C ATOM 903 CG2 ILE A 103 38.510 -4.095 46.006 1.00 30.11 C ATOM 904 CD1 ILE A 103 40.554 -1.901 45.157 1.00 25.78 C ATOM 905 H ILE A 103 41.639 -3.872 48.456 1.00 0.00 H ATOM 906 N TYR A 104 39.764 -6.348 48.530 1.00 31.01 N ATOM 907 CA TYR A 104 39.353 -7.774 48.513 1.00 30.51 C ATOM 908 C TYR A 104 38.384 -8.230 49.585 1.00 31.88 C ATOM 909 O TYR A 104 37.527 -9.083 49.290 1.00 31.05 O ATOM 910 CB TYR A 104 40.574 -8.725 48.497 1.00 30.51 C ATOM 911 CG TYR A 104 41.135 -8.957 47.126 1.00 30.29 C ATOM 912 CD1 TYR A 104 40.304 -9.157 46.017 1.00 30.62 C ATOM 913 CD2 TYR A 104 42.505 -8.974 46.914 1.00 30.10 C ATOM 914 CE1 TYR A 104 40.842 -9.357 44.742 1.00 30.42 C ATOM 915 CE2 TYR A 104 43.028 -9.190 45.651 1.00 30.10 C ATOM 916 CZ TYR A 104 42.201 -9.385 44.575 1.00 29.81 C ATOM 917 OH TYR A 104 42.765 -9.616 43.331 1.00 30.37 O ATOM 918 HH TYR A 104 43.322 -10.433 43.369 1.00 0.00 H ATOM 919 H TYR A 104 40.776 -6.128 48.620 1.00 0.00 H ATOM 920 N ARG A 105 38.494 -7.670 50.794 1.00 31.91 N ATOM 921 CA ARG A 105 37.650 -8.097 51.873 1.00 34.56 C ATOM 922 C ARG A 105 36.267 -7.514 51.694 1.00 35.08 C ATOM 923 O ARG A 105 35.370 -7.922 52.393 1.00 35.31 O ATOM 924 CB ARG A 105 38.205 -7.688 53.240 1.00 37.12 C ATOM 925 CG ARG A 105 38.104 -6.189 53.521 1.00 38.22 C ATOM 926 CD ARG A 105 38.619 -5.821 54.899 1.00 39.75 C ATOM 927 NE ARG A 105 38.162 -4.480 55.289 1.00 42.11 N ATOM 928 CZ ARG A 105 38.376 -3.923 56.482 1.00 42.66 C ATOM 929 NH1 ARG A 105 39.102 -4.548 57.404 1.00 44.86 N ATOM 930 NH2 ARG A 105 37.884 -2.723 56.755 1.00 43.14 N ATOM 931 HE ARG A 105 37.634 -3.926 54.585 1.00 0.00 H ATOM 932 HH12 ARG A 105 39.261 -4.103 58.330 1.00 0.00 H ATOM 933 HH11 ARG A 105 39.511 -5.482 57.199 1.00 0.00 H ATOM 934 HH22 ARG A 105 38.053 -2.291 57.686 1.00 0.00 H ATOM 935 HH21 ARG A 105 37.329 -2.213 56.038 1.00 0.00 H ATOM 936 H ARG A 105 39.196 -6.920 50.954 1.00 0.00 H ATOM 937 N ASN A 106 36.105 -6.600 50.743 1.00 33.14 N ATOM 938 CA ASN A 106 34.804 -6.003 50.450 1.00 33.59 C ATOM 939 C ASN A 106 34.069 -6.614 49.259 1.00 33.81 C ATOM 940 O ASN A 106 33.147 -5.983 48.681 1.00 34.53 O ATOM 941 CB ASN A 106 35.015 -4.522 50.153 1.00 31.09 C ATOM 942 CG ASN A 106 35.506 -3.774 51.350 1.00 31.58 C ATOM 943 OD1 ASN A 106 34.714 -3.450 52.198 1.00 33.01 O ATOM 944 ND2 ASN A 106 36.828 -3.519 51.452 1.00 31.62 N ATOM 945 HD22 ASN A 106 37.475 -3.818 50.695 1.00 0.00 H ATOM 946 HD21 ASN A 106 37.199 -3.024 52.288 1.00 0.00 H ATOM 947 H ASN A 106 36.932 -6.300 50.189 1.00 0.00 H ATOM 948 N LEU A 107 34.501 -7.784 48.818 1.00 33.51 N ATOM 949 CA LEU A 107 33.855 -8.381 47.671 1.00 34.47 C ATOM 950 C LEU A 107 33.934 -9.898 47.715 1.00 35.16 C ATOM 951 O LEU A 107 34.737 -10.456 48.439 1.00 36.42 O ATOM 952 CB LEU A 107 34.413 -7.868 46.352 1.00 35.33 C ATOM 953 CG LEU A 107 35.911 -8.041 46.126 1.00 36.40 C ATOM 954 CD1 LEU A 107 36.330 -9.469 45.760 1.00 39.23 C ATOM 955 CD2 LEU A 107 36.313 -7.110 45.037 1.00 37.17 C ATOM 956 H LEU A 107 35.293 -8.267 49.289 1.00 0.00 H ATOM 957 N VAL A 108 33.090 -10.526 46.912 1.00 36.59 N ATOM 958 CA VAL A 108 33.117 -12.005 46.694 1.00 38.98 C ATOM 959 C VAL A 108 33.504 -12.272 45.249 1.00 38.13 C ATOM 960 O VAL A 108 33.004 -11.643 44.326 1.00 36.81 O ATOM 961 CB VAL A 108 31.749 -12.607 47.004 1.00 41.79 C ATOM 962 CG1 VAL A 108 31.703 -14.075 46.621 1.00 44.38 C ATOM 963 CG2 VAL A 108 31.448 -12.432 48.478 1.00 43.55 C ATOM 964 H VAL A 108 32.374 -9.964 46.409 1.00 0.00 H ATOM 965 N VAL A 109 34.426 -13.176 45.026 1.00 38.53 N ATOM 966 CA VAL A 109 34.743 -13.565 43.647 1.00 39.90 C ATOM 967 C VAL A 109 33.597 -14.381 43.004 1.00 41.94 C ATOM 968 O VAL A 109 32.981 -15.200 43.655 1.00 43.52 O ATOM 969 CB VAL A 109 36.088 -14.322 43.582 1.00 40.49 C ATOM 970 CG1 VAL A 109 36.381 -14.743 42.155 1.00 42.61 C ATOM 971 CG2 VAL A 109 37.215 -13.422 44.084 1.00 40.45 C ATOM 972 H VAL A 109 34.930 -13.616 45.822 1.00 0.00 H ATOM 973 N VAL A 110 33.304 -14.149 41.733 1.00 43.47 N ATOM 974 CA VAL A 110 32.242 -14.877 41.092 1.00 49.05 C ATOM 975 C VAL A 110 32.784 -16.243 40.650 1.00 52.44 C ATOM 976 O VAL A 110 33.813 -16.301 39.999 1.00 53.10 O ATOM 977 CB VAL A 110 31.689 -14.135 39.869 1.00 49.66 C ATOM 978 CG1 VAL A 110 30.860 -15.081 38.999 1.00 52.59 C ATOM 979 CG2 VAL A 110 30.842 -12.949 40.320 1.00 50.50 C ATOM 980 H VAL A 110 33.843 -13.439 41.198 1.00 0.00 H ATOM 981 N ASN A 111 32.084 -17.318 41.015 1.00 58.36 N ATOM 982 CA ASN A 111 32.419 -18.722 40.611 1.00 62.87 C ATOM 983 C ASN A 111 33.753 -18.918 39.881 1.00 63.34 C ATOM 984 O ASN A 111 33.773 -19.027 38.651 1.00 65.47 O ATOM 985 CB ASN A 111 31.292 -19.306 39.745 1.00 63.36 C ATOM 986 H ASN A 111 31.251 -17.172 41.620 1.00 0.00 H TER 987 ASN A 111 ATOM 988 N GLY D 12 34.879 21.429 43.458 1.00 81.19 N ATOM 989 CA GLY D 12 36.104 20.943 44.130 1.00 78.55 C ATOM 990 C GLY D 12 37.281 21.877 43.906 1.00 84.65 C ATOM 991 O GLY D 12 37.120 23.001 43.389 1.00 82.34 O ATOM 992 HN3 GLY D 12 35.051 21.498 42.435 1.00 0.00 H ATOM 993 HN2 GLY D 12 34.628 22.366 43.833 1.00 0.00 H ATOM 994 HN1 GLY D 12 34.100 20.763 43.636 1.00 0.00 H ATOM 995 N ALA D 13 38.472 21.424 44.287 1.00 85.16 N ATOM 996 CA ALA D 13 39.680 22.204 44.043 1.00 88.70 C ATOM 997 C ALA D 13 40.907 21.292 44.067 1.00 91.13 C ATOM 998 O ALA D 13 40.933 20.290 44.791 1.00 88.98 O ATOM 999 CB ALA D 13 39.814 23.356 45.049 1.00 87.00 C ATOM 1000 H ALA D 13 38.543 20.503 44.764 1.00 0.00 H ATOM 1001 N VAL D 14 41.885 21.650 43.227 1.00 99.57 N ATOM 1002 CA VAL D 14 43.198 20.994 43.123 1.00100.50 C ATOM 1003 C VAL D 14 44.310 22.039 42.864 1.00110.12 C ATOM 1004 O VAL D 14 44.050 23.128 42.338 1.00106.86 O ATOM 1005 CB VAL D 14 43.234 19.956 41.981 1.00 93.84 C ATOM 1006 CG1 VAL D 14 43.237 20.643 40.611 1.00 89.53 C ATOM 1007 CG2 VAL D 14 44.442 19.039 42.134 1.00 94.43 C ATOM 1008 H VAL D 14 41.702 22.457 42.597 1.00 0.00 H ATOM 1009 N THR D 15 45.551 21.694 43.200 1.00107.21 N ATOM 1010 CA THR D 15 46.664 22.634 43.084 1.00102.99 C ATOM 1011 C THR D 15 47.988 21.920 42.638 1.00104.11 C ATOM 1012 O THR D 15 47.980 20.711 42.397 1.00102.53 O ATOM 1013 CB THR D 15 46.767 23.451 44.406 1.00 98.14 C ATOM 1014 OG1 THR D 15 46.482 22.615 45.532 1.00103.29 O ATOM 1015 CG2 THR D 15 45.742 24.567 44.410 1.00 91.77 C ATOM 1016 HG1 THR D 15 45.565 22.251 45.448 1.00 0.00 H ATOM 1017 H THR D 15 45.733 20.733 43.553 1.00 0.00 H ATOM 1018 N THR D 16 49.092 22.671 42.490 1.00 93.60 N ATOM 1019 CA THR D 16 50.394 22.154 41.971 1.00 86.43 C ATOM 1020 C THR D 16 51.610 22.768 42.712 1.00 88.77 C ATOM 1021 O THR D 16 51.454 23.364 43.784 1.00 99.74 O ATOM 1022 CB THR D 16 50.540 22.342 40.422 1.00 78.63 C ATOM 1023 OG1 THR D 16 51.828 22.900 40.083 1.00 75.70 O ATOM 1024 CG2 THR D 16 49.479 23.232 39.852 1.00 70.24 C ATOM 1025 HG1 THR D 16 51.892 23.007 39.101 1.00 0.00 H ATOM 1026 H THR D 16 49.037 23.676 42.753 1.00 0.00 H ATOM 1027 N SER D 17 52.815 22.582 42.165 1.00 82.47 N ATOM 1028 CA SER D 17 54.021 23.281 42.655 1.00 77.22 C ATOM 1029 C SER D 17 55.028 23.701 41.552 1.00 71.01 C ATOM 1030 O SER D 17 56.125 24.121 41.849 1.00 66.75 O ATOM 1031 CB SER D 17 54.726 22.437 43.719 1.00 75.74 C ATOM 1032 OG SER D 17 55.861 23.128 44.203 1.00 75.15 O ATOM 1033 HG SER D 17 56.485 23.300 43.454 1.00 0.00 H ATOM 1034 H SER D 17 52.907 21.922 41.366 1.00 0.00 H ATOM 1035 N GLN D 18 54.646 23.590 40.285 1.00 68.49 N ATOM 1036 CA GLN D 18 55.430 24.175 39.197 1.00 63.49 C ATOM 1037 C GLN D 18 54.879 25.568 38.910 1.00 58.63 C ATOM 1038 O GLN D 18 55.485 26.309 38.153 1.00 55.66 O ATOM 1039 CB GLN D 18 55.338 23.335 37.914 1.00 63.89 C ATOM 1040 CG GLN D 18 55.294 21.824 38.125 1.00 61.36 C ATOM 1041 CD GLN D 18 55.105 21.034 36.838 1.00 60.92 C ATOM 1042 OE1 GLN D 18 55.190 21.569 35.731 1.00 53.20 O ATOM 1043 NE2 GLN D 18 54.842 19.728 36.986 1.00 63.35 N ATOM 1044 HE22 GLN D 18 54.779 19.315 37.938 1.00 0.00 H ATOM 1045 HE21 GLN D 18 54.701 19.128 36.148 1.00 0.00 H ATOM 1046 H GLN D 18 53.770 23.076 40.061 1.00 0.00 H ATOM 1047 N ILE D 19 53.726 25.876 39.515 1.00 52.69 N ATOM 1048 CA ILE D 19 53.019 27.124 39.371 1.00 50.17 C ATOM 1049 C ILE D 19 52.942 27.769 40.777 1.00 53.09 C ATOM 1050 O ILE D 19 52.586 27.084 41.742 1.00 53.56 O ATOM 1051 CB ILE D 19 51.600 26.831 38.881 1.00 46.01 C ATOM 1052 CG1 ILE D 19 51.612 25.920 37.663 1.00 42.96 C ATOM 1053 CG2 ILE D 19 50.847 28.114 38.575 1.00 46.24 C ATOM 1054 CD1 ILE D 19 52.256 26.491 36.429 1.00 40.85 C ATOM 1055 H ILE D 19 53.306 25.158 40.139 1.00 0.00 H ATOM 1056 N PRO D 20 53.293 29.077 40.910 1.00 56.06 N ATOM 1057 CA PRO D 20 53.118 29.781 42.191 1.00 55.53 C ATOM 1058 C PRO D 20 51.705 29.612 42.712 1.00 54.37 C ATOM 1059 O PRO D 20 50.761 29.684 41.929 1.00 55.72 O ATOM 1060 CB PRO D 20 53.346 31.251 41.834 1.00 55.84 C ATOM 1061 CG PRO D 20 54.087 31.260 40.554 1.00 55.15 C ATOM 1062 CD PRO D 20 53.841 29.964 39.860 1.00 54.29 C ATOM 1063 N ALA D 21 51.555 29.405 44.013 1.00 56.65 N ATOM 1064 CA ALA D 21 50.240 29.107 44.601 1.00 57.61 C ATOM 1065 C ALA D 21 49.297 30.277 44.424 1.00 57.71 C ATOM 1066 O ALA D 21 48.089 30.110 44.221 1.00 58.83 O ATOM 1067 CB ALA D 21 50.368 28.735 46.076 1.00 57.75 C ATOM 1068 H ALA D 21 52.388 29.455 44.633 1.00 0.00 H ATOM 1069 N SER D 22 49.847 31.471 44.483 1.00 57.89 N ATOM 1070 CA SER D 22 49.032 32.644 44.252 1.00 60.32 C ATOM 1071 C SER D 22 48.326 32.489 42.919 1.00 54.00 C ATOM 1072 O SER D 22 47.127 32.714 42.827 1.00 57.63 O ATOM 1073 CB SER D 22 49.863 33.956 44.272 1.00 61.32 C ATOM 1074 OG SER D 22 50.451 34.256 43.005 1.00 64.15 O ATOM 1075 HG SER D 22 50.967 35.098 43.073 1.00 0.00 H ATOM 1076 H SER D 22 50.860 31.571 44.694 1.00 0.00 H ATOM 1077 N GLU D 23 49.069 32.112 41.887 1.00 50.08 N ATOM 1078 CA GLU D 23 48.521 32.098 40.530 1.00 47.26 C ATOM 1079 C GLU D 23 47.423 31.008 40.405 1.00 45.25 C ATOM 1080 O GLU D 23 46.447 31.166 39.667 1.00 43.69 O ATOM 1081 CB GLU D 23 49.648 31.881 39.512 1.00 44.86 C ATOM 1082 CG GLU D 23 49.153 31.657 38.105 1.00 42.70 C ATOM 1083 CD GLU D 23 50.255 31.507 37.087 1.00 39.92 C ATOM 1084 OE1 GLU D 23 51.460 31.445 37.470 1.00 40.31 O ATOM 1085 OE2 GLU D 23 49.900 31.454 35.892 1.00 36.68 O ATOM 1086 H GLU D 23 50.055 31.822 42.044 1.00 0.00 H ATOM 1087 N GLN D 24 47.560 29.929 41.157 1.00 44.73 N ATOM 1088 CA GLN D 24 46.529 28.889 41.161 1.00 45.96 C ATOM 1089 C GLN D 24 45.181 29.400 41.714 1.00 46.82 C ATOM 1090 O GLN D 24 44.115 28.911 41.358 1.00 43.52 O ATOM 1091 CB GLN D 24 47.019 27.682 41.937 1.00 48.43 C ATOM 1092 CG GLN D 24 48.377 27.171 41.445 1.00 52.71 C ATOM 1093 CD GLN D 24 48.883 26.018 42.271 1.00 54.79 C ATOM 1094 OE1 GLN D 24 48.081 25.333 42.886 1.00 56.60 O ATOM 1095 NE2 GLN D 24 50.218 25.797 42.305 1.00 55.09 N ATOM 1096 HE22 GLN D 24 50.860 26.409 41.763 1.00 0.00 H ATOM 1097 HE21 GLN D 24 50.601 25.015 42.873 1.00 0.00 H ATOM 1098 H GLN D 24 48.407 29.818 41.750 1.00 0.00 H ATOM 1099 N GLU D 25 45.238 30.428 42.553 1.00 49.48 N ATOM 1100 CA GLU D 25 44.035 31.006 43.153 1.00 50.82 C ATOM 1101 C GLU D 25 43.356 32.023 42.267 1.00 49.56 C ATOM 1102 O GLU D 25 42.294 32.508 42.597 1.00 48.53 O ATOM 1103 CB GLU D 25 44.397 31.644 44.504 1.00 55.63 C ATOM 1104 CG GLU D 25 43.926 30.890 45.763 1.00 58.08 C ATOM 1105 CD GLU D 25 44.023 29.367 45.705 1.00 60.10 C ATOM 1106 OE1 GLU D 25 42.958 28.720 45.588 1.00 60.62 O ATOM 1107 OE2 GLU D 25 45.144 28.802 45.795 1.00 64.09 O ATOM 1108 H GLU D 25 46.165 30.834 42.791 1.00 0.00 H ATOM 1109 N THR D 26 43.954 32.327 41.120 1.00 50.75 N ATOM 1110 CA THR D 26 43.489 33.412 40.262 1.00 49.37 C ATOM 1111 C THR D 26 42.081 33.112 39.833 1.00 49.76 C ATOM 1112 O THR D 26 41.769 31.970 39.479 1.00 45.00 O ATOM 1113 CB THR D 26 44.326 33.473 38.986 1.00 48.67 C ATOM 1114 OG1 THR D 26 45.701 33.665 39.328 1.00 50.52 O ATOM 1115 CG2 THR D 26 43.844 34.563 38.044 1.00 47.68 C ATOM 1116 HG1 THR D 26 46.009 32.910 39.890 1.00 0.00 H ATOM 1117 H THR D 26 44.782 31.772 40.823 1.00 0.00 H ATOM 1118 N LEU D 27 41.240 34.141 39.824 1.00 46.73 N ATOM 1119 CA LEU D 27 39.815 33.964 39.591 1.00 46.91 C ATOM 1120 C LEU D 27 39.542 34.137 38.110 1.00 44.60 C ATOM 1121 O LEU D 27 39.970 35.114 37.537 1.00 44.91 O ATOM 1122 CB LEU D 27 39.065 35.012 40.390 1.00 51.03 C ATOM 1123 CG LEU D 27 37.569 34.819 40.554 1.00 53.87 C ATOM 1124 CD1 LEU D 27 37.316 33.645 41.493 1.00 55.29 C ATOM 1125 CD2 LEU D 27 36.953 36.091 41.085 1.00 55.46 C ATOM 1126 H LEU D 27 41.611 35.099 39.988 1.00 0.00 H ATOM 1127 N VAL D 28 38.859 33.195 37.455 1.00 42.53 N ATOM 1128 CA VAL D 28 38.730 33.271 35.983 1.00 39.41 C ATOM 1129 C VAL D 28 37.327 32.977 35.513 1.00 38.10 C ATOM 1130 O VAL D 28 36.563 32.387 36.254 1.00 37.58 O ATOM 1131 CB VAL D 28 39.727 32.338 35.287 1.00 39.25 C ATOM 1132 CG1 VAL D 28 41.177 32.785 35.567 1.00 39.84 C ATOM 1133 CG2 VAL D 28 39.538 30.881 35.722 1.00 38.72 C ATOM 1134 H VAL D 28 38.419 32.411 37.978 1.00 0.00 H ATOM 1135 N ARG D 29 37.006 33.408 34.297 1.00 37.20 N ATOM 1136 CA ARG D 29 35.708 33.184 33.679 1.00 38.79 C ATOM 1137 C ARG D 29 35.899 32.418 32.365 1.00 38.82 C ATOM 1138 O ARG D 29 36.330 32.970 31.347 1.00 36.95 O ATOM 1139 CB ARG D 29 34.986 34.493 33.427 1.00 43.79 C ATOM 1140 CG ARG D 29 33.611 34.305 32.775 1.00 48.63 C ATOM 1141 CD ARG D 29 32.945 35.661 32.510 1.00 52.80 C ATOM 1142 NE ARG D 29 32.628 36.345 33.769 1.00 56.68 N ATOM 1143 CZ ARG D 29 31.477 36.224 34.433 1.00 59.84 C ATOM 1144 NH1 ARG D 29 30.498 35.426 34.001 1.00 62.30 N ATOM 1145 NH2 ARG D 29 31.322 36.890 35.559 1.00 59.71 N ATOM 1146 HE ARG D 29 33.354 36.970 34.174 1.00 0.00 H ATOM 1147 HH12 ARG D 29 29.612 35.352 34.540 1.00 0.00 H ATOM 1148 HH11 ARG D 29 30.622 34.878 33.126 1.00 0.00 H ATOM 1149 HH22 ARG D 29 30.433 36.810 36.092 1.00 0.00 H ATOM 1150 HH21 ARG D 29 32.089 37.496 35.915 1.00 0.00 H ATOM 1151 H ARG D 29 37.722 33.935 33.758 1.00 0.00 H ATOM 1152 N PRO D 30 35.590 31.104 32.382 1.00 38.07 N ATOM 1153 CA PRO D 30 35.810 30.316 31.179 1.00 36.18 C ATOM 1154 C PRO D 30 34.907 30.752 30.069 1.00 34.15 C ATOM 1155 O PRO D 30 33.763 31.091 30.314 1.00 34.84 O ATOM 1156 CB PRO D 30 35.454 28.870 31.649 1.00 37.25 C ATOM 1157 CG PRO D 30 35.813 28.858 33.101 1.00 37.23 C ATOM 1158 CD PRO D 30 35.319 30.238 33.554 1.00 38.97 C ATOM 1159 N LYS D 31 35.394 30.678 28.847 1.00 33.53 N ATOM 1160 CA LYS D 31 34.537 30.949 27.723 1.00 36.05 C ATOM 1161 C LYS D 31 33.431 29.878 27.589 1.00 37.87 C ATOM 1162 O LYS D 31 33.494 28.845 28.261 1.00 40.22 O ATOM 1163 CB LYS D 31 35.377 31.133 26.450 1.00 37.46 C ATOM 1164 CG LYS D 31 36.097 29.927 25.889 1.00 36.76 C ATOM 1165 CD LYS D 31 36.479 30.151 24.431 1.00 37.99 C ATOM 1166 CE LYS D 31 37.007 28.822 23.858 1.00 40.12 C ATOM 1167 NZ LYS D 31 37.759 28.985 22.593 1.00 41.02 N ATOM 1168 HZ1 LYS D 31 37.139 29.411 21.875 1.00 0.00 H ATOM 1169 HZ2 LYS D 31 38.579 29.604 22.756 1.00 0.00 H ATOM 1170 HZ3 LYS D 31 38.085 28.054 22.263 1.00 0.00 H ATOM 1171 H LYS D 31 36.391 30.425 28.696 1.00 0.00 H ATOM 1172 N PRO D 32 32.420 30.102 26.733 1.00 39.44 N ATOM 1173 CA PRO D 32 31.268 29.172 26.776 1.00 39.19 C ATOM 1174 C PRO D 32 31.580 27.693 26.558 1.00 38.51 C ATOM 1175 O PRO D 32 31.145 26.892 27.334 1.00 36.92 O ATOM 1176 CB PRO D 32 30.355 29.711 25.687 1.00 40.56 C ATOM 1177 CG PRO D 32 30.588 31.200 25.757 1.00 40.74 C ATOM 1178 CD PRO D 32 32.091 31.319 25.970 1.00 40.36 C ATOM 1179 N LEU D 33 32.326 27.349 25.521 1.00 39.97 N ATOM 1180 CA LEU D 33 32.751 25.948 25.300 1.00 41.17 C ATOM 1181 C LEU D 33 33.481 25.321 26.478 1.00 39.32 C ATOM 1182 O LEU D 33 33.210 24.188 26.824 1.00 40.27 O ATOM 1183 CB LEU D 33 33.677 25.855 24.103 1.00 41.39 C ATOM 1184 CG LEU D 33 32.956 26.029 22.785 1.00 44.35 C ATOM 1185 CD1 LEU D 33 34.050 26.004 21.725 1.00 47.29 C ATOM 1186 CD2 LEU D 33 31.879 24.972 22.536 1.00 45.20 C ATOM 1187 H LEU D 33 32.621 28.081 24.844 1.00 0.00 H ATOM 1188 N LEU D 34 34.396 26.053 27.101 1.00 37.73 N ATOM 1189 CA LEU D 34 35.085 25.518 28.267 1.00 37.47 C ATOM 1190 C LEU D 34 34.162 25.413 29.444 1.00 36.88 C ATOM 1191 O LEU D 34 34.231 24.492 30.220 1.00 34.53 O ATOM 1192 CB LEU D 34 36.271 26.365 28.626 1.00 37.59 C ATOM 1193 CG LEU D 34 37.107 25.974 29.842 1.00 38.90 C ATOM 1194 CD1 LEU D 34 37.625 24.537 29.774 1.00 38.95 C ATOM 1195 CD2 LEU D 34 38.272 26.953 29.957 1.00 37.84 C ATOM 1196 H LEU D 34 34.621 27.008 26.757 1.00 0.00 H ATOM 1197 N LEU D 35 33.252 26.347 29.564 1.00 38.55 N ATOM 1198 CA LEU D 35 32.280 26.289 30.636 1.00 41.05 C ATOM 1199 C LEU D 35 31.389 25.067 30.472 1.00 43.15 C ATOM 1200 O LEU D 35 31.068 24.384 31.460 1.00 41.18 O ATOM 1201 CB LEU D 35 31.432 27.565 30.662 1.00 43.33 C ATOM 1202 CG LEU D 35 30.538 27.696 31.866 1.00 45.91 C ATOM 1203 CD1 LEU D 35 31.328 27.640 33.159 1.00 46.38 C ATOM 1204 CD2 LEU D 35 29.785 29.023 31.768 1.00 50.78 C ATOM 1205 H LEU D 35 33.227 27.135 28.886 1.00 0.00 H ATOM 1206 N LYS D 36 31.009 24.781 29.230 1.00 43.35 N ATOM 1207 CA LYS D 36 30.135 23.638 28.957 1.00 43.84 C ATOM 1208 C LYS D 36 30.851 22.349 29.344 1.00 41.49 C ATOM 1209 O LYS D 36 30.305 21.460 29.979 1.00 37.94 O ATOM 1210 CB LYS D 36 29.787 23.616 27.485 1.00 47.56 C ATOM 1211 CG LYS D 36 28.778 22.539 27.119 1.00 52.88 C ATOM 1212 CD LYS D 36 28.106 22.812 25.786 1.00 56.72 C ATOM 1213 CE LYS D 36 29.093 23.032 24.639 1.00 57.66 C ATOM 1214 NZ LYS D 36 29.838 21.793 24.288 1.00 58.30 N ATOM 1215 HZ1 LYS D 36 30.375 21.466 25.117 1.00 0.00 H ATOM 1216 HZ2 LYS D 36 29.165 21.056 23.997 1.00 0.00 H ATOM 1217 HZ3 LYS D 36 30.494 21.994 23.506 1.00 0.00 H ATOM 1218 H LYS D 36 31.337 25.376 28.443 1.00 0.00 H ATOM 1219 N LEU D 37 32.122 22.277 28.991 1.00 39.71 N ATOM 1220 CA LEU D 37 32.903 21.158 29.367 1.00 39.01 C ATOM 1221 C LEU D 37 32.866 20.966 30.900 1.00 40.37 C ATOM 1222 O LEU D 37 32.614 19.868 31.400 1.00 40.96 O ATOM 1223 CB LEU D 37 34.285 21.377 28.835 1.00 39.57 C ATOM 1224 CG LEU D 37 35.322 20.281 29.002 1.00 41.04 C ATOM 1225 CD1 LEU D 37 36.386 20.427 27.915 1.00 40.83 C ATOM 1226 CD2 LEU D 37 35.967 20.343 30.392 1.00 42.55 C ATOM 1227 H LEU D 37 32.550 23.045 28.435 1.00 0.00 H ATOM 1228 N LEU D 38 33.120 22.018 31.657 1.00 37.87 N ATOM 1229 CA LEU D 38 32.997 21.955 33.104 1.00 37.74 C ATOM 1230 C LEU D 38 31.604 21.601 33.616 1.00 39.49 C ATOM 1231 O LEU D 38 31.518 20.912 34.638 1.00 39.69 O ATOM 1232 CB LEU D 38 33.420 23.238 33.786 1.00 36.79 C ATOM 1233 CG LEU D 38 34.784 23.906 33.481 1.00 37.24 C ATOM 1234 CD1 LEU D 38 35.000 25.064 34.449 1.00 37.44 C ATOM 1235 CD2 LEU D 38 35.961 22.960 33.560 1.00 35.79 C ATOM 1236 H LEU D 38 33.414 22.909 31.209 1.00 0.00 H ATOM 1237 N LYS D 39 30.538 22.064 32.957 1.00 40.10 N ATOM 1238 CA LYS D 39 29.172 21.747 33.402 1.00 44.57 C ATOM 1239 C LYS D 39 28.894 20.263 33.245 1.00 43.20 C ATOM 1240 O LYS D 39 28.171 19.685 34.032 1.00 45.58 O ATOM 1241 CB LYS D 39 28.080 22.493 32.599 1.00 47.92 C ATOM 1242 CG LYS D 39 28.123 24.029 32.621 1.00 52.33 C ATOM 1243 CD LYS D 39 27.721 24.682 33.940 1.00 55.95 C ATOM 1244 CE LYS D 39 27.251 26.138 33.724 1.00 58.79 C ATOM 1245 NZ LYS D 39 27.282 26.956 34.984 1.00 60.24 N ATOM 1246 HZ1 LYS D 39 26.656 26.523 35.693 1.00 0.00 H ATOM 1247 HZ2 LYS D 39 28.254 26.988 35.351 1.00 0.00 H ATOM 1248 HZ3 LYS D 39 26.957 27.922 34.777 1.00 0.00 H ATOM 1249 H LYS D 39 30.676 22.659 32.115 1.00 0.00 H ATOM 1250 N SER D 40 29.443 19.658 32.205 1.00 41.53 N ATOM 1251 CA SER D 40 29.204 18.257 31.945 1.00 42.35 C ATOM 1252 C SER D 40 29.773 17.364 33.086 1.00 41.22 C ATOM 1253 O SER D 40 29.438 16.227 33.157 1.00 42.54 O ATOM 1254 CB SER D 40 29.784 17.859 30.563 1.00 40.74 C ATOM 1255 OG SER D 40 31.213 17.742 30.609 1.00 37.62 O ATOM 1256 HG SER D 40 31.606 18.610 30.877 1.00 0.00 H ATOM 1257 H SER D 40 30.057 20.200 31.564 1.00 0.00 H ATOM 1258 N VAL D 41 30.604 17.883 33.983 1.00 39.16 N ATOM 1259 CA VAL D 41 31.067 17.091 35.094 1.00 38.86 C ATOM 1260 C VAL D 41 30.624 17.652 36.428 1.00 41.10 C ATOM 1261 O VAL D 41 31.167 17.296 37.463 1.00 42.41 O ATOM 1262 CB VAL D 41 32.620 16.887 35.079 1.00 37.75 C ATOM 1263 CG1 VAL D 41 33.022 15.890 34.009 1.00 36.90 C ATOM 1264 CG2 VAL D 41 33.348 18.181 34.813 1.00 37.85 C ATOM 1265 H VAL D 41 30.923 18.868 33.883 1.00 0.00 H ATOM 1266 N GLY D 42 29.616 18.515 36.434 1.00 45.11 N ATOM 1267 CA GLY D 42 29.007 18.958 37.692 1.00 45.59 C ATOM 1268 C GLY D 42 29.326 20.367 38.162 1.00 47.27 C ATOM 1269 O GLY D 42 28.743 20.835 39.119 1.00 48.22 O ATOM 1270 H GLY D 42 29.252 18.883 35.532 1.00 0.00 H ATOM 1271 N ALA D 43 30.234 21.068 37.513 1.00 47.19 N ATOM 1272 CA ALA D 43 30.484 22.444 37.914 1.00 49.62 C ATOM 1273 C ALA D 43 29.205 23.324 37.713 1.00 51.27 C ATOM 1274 O ALA D 43 28.556 23.277 36.669 1.00 51.31 O ATOM 1275 CB ALA D 43 31.677 23.008 37.151 1.00 49.58 C ATOM 1276 H ALA D 43 30.764 20.644 36.725 1.00 0.00 H ATOM 1277 N GLN D 44 28.828 24.085 38.746 1.00 54.31 N ATOM 1278 CA GLN D 44 27.628 24.925 38.714 1.00 55.29 C ATOM 1279 C GLN D 44 27.910 26.427 38.404 1.00 59.05 C ATOM 1280 O GLN D 44 27.058 27.120 37.835 1.00 63.02 O ATOM 1281 CB GLN D 44 26.876 24.768 40.038 1.00 56.41 C ATOM 1282 H GLN D 44 29.411 24.080 39.608 1.00 0.00 H ATOM 1283 N LYS D 45 29.104 26.918 38.743 1.00 57.60 N ATOM 1284 CA LYS D 45 29.412 28.364 38.681 1.00 55.77 C ATOM 1285 C LYS D 45 29.785 28.930 37.256 1.00 54.07 C ATOM 1286 O LYS D 45 29.936 28.188 36.266 1.00 49.53 O ATOM 1287 CB LYS D 45 30.523 28.689 39.705 1.00 55.84 C ATOM 1288 CG LYS D 45 30.193 28.403 41.169 1.00 58.32 C ATOM 1289 CD LYS D 45 31.452 28.385 42.043 1.00 58.94 C ATOM 1290 H LYS D 45 29.844 26.261 39.062 1.00 0.00 H ATOM 1291 N ASP D 46 29.889 30.265 37.189 1.00 52.26 N ATOM 1292 CA ASP D 46 30.380 30.989 36.023 1.00 51.38 C ATOM 1293 C ASP D 46 31.853 31.316 36.117 1.00 46.49 C ATOM 1294 O ASP D 46 32.488 31.566 35.091 1.00 44.82 O ATOM 1295 CB ASP D 46 29.699 32.352 35.930 1.00 58.65 C ATOM 1296 CG ASP D 46 28.331 32.276 35.360 1.00 63.48 C ATOM 1297 OD1 ASP D 46 28.014 31.227 34.737 1.00 60.38 O ATOM 1298 OD2 ASP D 46 27.607 33.295 35.521 1.00 67.77 O ATOM 1299 H ASP D 46 29.601 30.819 38.021 1.00 0.00 H ATOM 1300 N THR D 47 32.356 31.411 37.348 1.00 43.88 N ATOM 1301 CA THR D 47 33.723 31.848 37.600 1.00 43.25 C ATOM 1302 C THR D 47 34.335 30.912 38.622 1.00 44.08 C ATOM 1303 O THR D 47 33.676 30.492 39.560 1.00 48.09 O ATOM 1304 CB THR D 47 33.786 33.255 38.227 1.00 43.78 C ATOM 1305 OG1 THR D 47 33.224 33.165 39.534 1.00 44.45 O ATOM 1306 CG2 THR D 47 33.043 34.297 37.398 1.00 43.35 C ATOM 1307 HG1 THR D 47 33.748 32.521 40.073 1.00 0.00 H ATOM 1308 H THR D 47 31.751 31.164 38.157 1.00 0.00 H ATOM 1309 N TYR D 48 35.607 30.619 38.445 1.00 43.21 N ATOM 1310 CA TYR D 48 36.333 29.690 39.255 1.00 43.41 C ATOM 1311 C TYR D 48 37.740 30.178 39.483 1.00 43.30 C ATOM 1312 O TYR D 48 38.263 30.980 38.766 1.00 48.01 O ATOM 1313 CB TYR D 48 36.442 28.352 38.502 1.00 44.88 C ATOM 1314 CG TYR D 48 35.124 27.680 38.297 1.00 45.60 C ATOM 1315 CD1 TYR D 48 34.436 27.842 37.116 1.00 47.17 C ATOM 1316 CD2 TYR D 48 34.533 26.953 39.306 1.00 49.24 C ATOM 1317 CE1 TYR D 48 33.195 27.253 36.917 1.00 49.92 C ATOM 1318 CE2 TYR D 48 33.290 26.346 39.116 1.00 52.17 C ATOM 1319 CZ TYR D 48 32.634 26.501 37.902 1.00 51.06 C ATOM 1320 OH TYR D 48 31.392 25.944 37.665 1.00 55.72 O ATOM 1321 HH TYR D 48 31.100 26.169 36.746 1.00 0.00 H ATOM 1322 H TYR D 48 36.114 31.092 37.670 1.00 0.00 H ATOM 1323 N THR D 49 38.339 29.650 40.505 1.00 42.87 N ATOM 1324 CA THR D 49 39.764 29.642 40.686 1.00 43.28 C ATOM 1325 C THR D 49 40.381 28.771 39.553 1.00 42.08 C ATOM 1326 O THR D 49 39.742 27.834 39.022 1.00 37.57 O ATOM 1327 CB THR D 49 39.968 29.150 42.157 1.00 46.76 C ATOM 1328 OG1 THR D 49 40.464 30.221 42.974 1.00 51.39 O ATOM 1329 CG2 THR D 49 40.825 27.992 42.300 1.00 45.70 C ATOM 1330 HG1 THR D 49 41.331 30.535 42.614 1.00 0.00 H ATOM 1331 H THR D 49 37.751 29.205 41.239 1.00 0.00 H ATOM 1332 N MET D 50 41.597 29.084 39.131 1.00 41.64 N ATOM 1333 CA MET D 50 42.318 28.167 38.227 1.00 41.28 C ATOM 1334 C MET D 50 42.454 26.736 38.790 1.00 40.98 C ATOM 1335 O MET D 50 42.373 25.754 38.019 1.00 36.50 O ATOM 1336 CB MET D 50 43.708 28.690 37.852 1.00 41.43 C ATOM 1337 CG MET D 50 43.672 29.855 36.856 1.00 38.99 C ATOM 1338 SD MET D 50 43.245 29.469 35.148 1.00 39.60 S ATOM 1339 CE MET D 50 44.780 28.715 34.633 1.00 38.60 C ATOM 1340 H MET D 50 42.042 29.973 39.436 1.00 0.00 H ATOM 1341 N LYS D 51 42.690 26.634 40.093 1.00 40.57 N ATOM 1342 CA LYS D 51 42.638 25.361 40.788 1.00 41.69 C ATOM 1343 C LYS D 51 41.346 24.597 40.550 1.00 40.29 C ATOM 1344 O LYS D 51 41.372 23.370 40.374 1.00 36.71 O ATOM 1345 CB LYS D 51 42.778 25.542 42.286 1.00 44.29 C ATOM 1346 CG LYS D 51 44.008 26.287 42.681 1.00 47.11 C ATOM 1347 H LYS D 51 42.919 27.493 40.632 1.00 0.00 H ATOM 1348 N GLU D 52 40.233 25.313 40.557 1.00 38.70 N ATOM 1349 CA GLU D 52 38.944 24.678 40.481 1.00 39.39 C ATOM 1350 C GLU D 52 38.694 24.243 39.071 1.00 37.59 C ATOM 1351 O GLU D 52 38.173 23.168 38.810 1.00 36.40 O ATOM 1352 CB GLU D 52 37.849 25.639 40.909 1.00 42.53 C ATOM 1353 CG GLU D 52 37.785 25.904 42.408 1.00 46.71 C ATOM 1354 CD GLU D 52 36.756 27.008 42.781 1.00 51.08 C ATOM 1355 OE1 GLU D 52 36.893 28.177 42.337 1.00 47.53 O ATOM 1356 OE2 GLU D 52 35.785 26.687 43.512 1.00 54.19 O ATOM 1357 H GLU D 52 40.291 26.350 40.618 1.00 0.00 H ATOM 1358 N VAL D 53 39.082 25.089 38.127 1.00 35.76 N ATOM 1359 CA VAL D 53 38.982 24.718 36.739 1.00 33.97 C ATOM 1360 C VAL D 53 39.815 23.433 36.459 1.00 34.34 C ATOM 1361 O VAL D 53 39.317 22.487 35.820 1.00 33.31 O ATOM 1362 CB VAL D 53 39.446 25.860 35.825 1.00 33.87 C ATOM 1363 CG1 VAL D 53 39.382 25.424 34.370 1.00 33.04 C ATOM 1364 CG2 VAL D 53 38.571 27.117 36.020 1.00 34.92 C ATOM 1365 H VAL D 53 39.459 26.022 38.389 1.00 0.00 H ATOM 1366 N LEU D 54 41.082 23.442 36.884 1.00 32.95 N ATOM 1367 CA LEU D 54 41.926 22.281 36.760 1.00 35.10 C ATOM 1368 C LEU D 54 41.286 21.004 37.383 1.00 35.37 C ATOM 1369 O LEU D 54 41.396 19.907 36.826 1.00 32.92 O ATOM 1370 CB LEU D 54 43.288 22.520 37.413 1.00 36.30 C ATOM 1371 CG LEU D 54 44.549 22.999 36.660 1.00 37.78 C ATOM 1372 CD1 LEU D 54 44.728 22.468 35.244 1.00 38.19 C ATOM 1373 CD2 LEU D 54 44.673 24.488 36.631 1.00 40.21 C ATOM 1374 H LEU D 54 41.468 24.307 37.314 1.00 0.00 H ATOM 1375 N PHE D 55 40.681 21.149 38.557 1.00 34.92 N ATOM 1376 CA PHE D 55 40.011 20.071 39.163 1.00 36.55 C ATOM 1377 C PHE D 55 38.933 19.501 38.259 1.00 36.98 C ATOM 1378 O PHE D 55 38.856 18.287 38.132 1.00 35.53 O ATOM 1379 CB PHE D 55 39.369 20.442 40.491 1.00 37.72 C ATOM 1380 CG PHE D 55 38.418 19.386 40.973 1.00 37.59 C ATOM 1381 CD1 PHE D 55 38.907 18.155 41.398 1.00 37.25 C ATOM 1382 CD2 PHE D 55 37.036 19.564 40.883 1.00 37.67 C ATOM 1383 CE1 PHE D 55 38.046 17.164 41.812 1.00 36.80 C ATOM 1384 CE2 PHE D 55 36.165 18.554 41.293 1.00 37.11 C ATOM 1385 CZ PHE D 55 36.669 17.379 41.771 1.00 36.99 C ATOM 1386 H PHE D 55 40.703 22.073 39.035 1.00 0.00 H ATOM 1387 N TYR D 56 38.079 20.349 37.676 1.00 36.20 N ATOM 1388 CA TYR D 56 37.008 19.824 36.847 1.00 36.80 C ATOM 1389 C TYR D 56 37.520 19.244 35.556 1.00 36.20 C ATOM 1390 O TYR D 56 36.918 18.304 35.056 1.00 35.44 O ATOM 1391 CB TYR D 56 35.950 20.839 36.502 1.00 37.17 C ATOM 1392 CG TYR D 56 35.131 21.195 37.673 1.00 41.57 C ATOM 1393 CD1 TYR D 56 34.449 20.219 38.378 1.00 43.40 C ATOM 1394 CD2 TYR D 56 35.081 22.512 38.135 1.00 43.70 C ATOM 1395 CE1 TYR D 56 33.719 20.533 39.492 1.00 45.90 C ATOM 1396 CE2 TYR D 56 34.357 22.841 39.264 1.00 45.03 C ATOM 1397 CZ TYR D 56 33.665 21.860 39.914 1.00 47.34 C ATOM 1398 OH TYR D 56 32.956 22.190 41.007 1.00 49.96 O ATOM 1399 HH TYR D 56 32.272 22.863 40.764 1.00 0.00 H ATOM 1400 H TYR D 56 38.181 21.375 37.815 1.00 0.00 H ATOM 1401 N LEU D 57 38.586 19.825 35.002 1.00 33.96 N ATOM 1402 CA LEU D 57 39.230 19.269 33.822 1.00 33.79 C ATOM 1403 C LEU D 57 39.814 17.878 34.113 1.00 34.72 C ATOM 1404 O LEU D 57 39.679 17.000 33.289 1.00 33.29 O ATOM 1405 CB LEU D 57 40.338 20.161 33.274 1.00 33.42 C ATOM 1406 CG LEU D 57 39.924 21.454 32.576 1.00 34.50 C ATOM 1407 CD1 LEU D 57 41.122 22.302 32.195 1.00 33.54 C ATOM 1408 CD2 LEU D 57 39.093 21.192 31.332 1.00 35.75 C ATOM 1409 H LEU D 57 38.966 20.696 35.424 1.00 0.00 H ATOM 1410 N GLY D 58 40.447 17.694 35.264 1.00 33.69 N ATOM 1411 CA GLY D 58 40.964 16.387 35.636 1.00 35.40 C ATOM 1412 C GLY D 58 39.866 15.345 35.784 1.00 34.93 C ATOM 1413 O GLY D 58 40.034 14.161 35.408 1.00 35.37 O ATOM 1414 H GLY D 58 40.576 18.498 35.911 1.00 0.00 H ATOM 1415 N GLN D 59 38.739 15.766 36.327 1.00 36.24 N ATOM 1416 CA GLN D 59 37.567 14.887 36.395 1.00 38.69 C ATOM 1417 C GLN D 59 37.006 14.490 35.061 1.00 37.14 C ATOM 1418 O GLN D 59 36.499 13.349 34.887 1.00 40.92 O ATOM 1419 CB GLN D 59 36.418 15.550 37.136 1.00 41.90 C ATOM 1420 CG GLN D 59 36.192 15.056 38.542 1.00 45.42 C ATOM 1421 CD GLN D 59 34.807 15.430 39.003 1.00 46.28 C ATOM 1422 OE1 GLN D 59 34.300 16.495 38.655 1.00 51.67 O ATOM 1423 NE2 GLN D 59 34.198 14.582 39.788 1.00 45.49 N ATOM 1424 HE22 GLN D 59 34.666 13.693 40.056 1.00 0.00 H ATOM 1425 HE21 GLN D 59 33.245 14.796 40.145 1.00 0.00 H ATOM 1426 H GLN D 59 38.682 16.731 36.711 1.00 0.00 H ATOM 1427 N TYR D 60 36.966 15.446 34.152 1.00 33.21 N ATOM 1428 CA TYR D 60 36.520 15.215 32.802 1.00 32.21 C ATOM 1429 C TYR D 60 37.401 14.184 32.109 1.00 32.17 C ATOM 1430 O TYR D 60 36.912 13.246 31.465 1.00 32.44 O ATOM 1431 CB TYR D 60 36.639 16.497 32.020 1.00 32.30 C ATOM 1432 CG TYR D 60 36.263 16.402 30.589 1.00 31.15 C ATOM 1433 CD1 TYR D 60 34.921 16.449 30.198 1.00 31.94 C ATOM 1434 CD2 TYR D 60 37.220 16.257 29.632 1.00 29.57 C ATOM 1435 CE1 TYR D 60 34.559 16.396 28.879 1.00 31.48 C ATOM 1436 CE2 TYR D 60 36.858 16.182 28.321 1.00 30.82 C ATOM 1437 CZ TYR D 60 35.530 16.246 27.953 1.00 30.95 C ATOM 1438 OH TYR D 60 35.216 16.150 26.635 1.00 32.12 O ATOM 1439 HH TYR D 60 35.534 15.281 26.284 1.00 0.00 H ATOM 1440 H TYR D 60 37.268 16.404 34.421 1.00 0.00 H ATOM 1441 N ILE D 61 38.685 14.381 32.240 1.00 29.45 N ATOM 1442 CA ILE D 61 39.679 13.483 31.641 1.00 30.61 C ATOM 1443 C ILE D 61 39.604 12.059 32.236 1.00 31.52 C ATOM 1444 O ILE D 61 39.739 11.060 31.492 1.00 30.96 O ATOM 1445 CB ILE D 61 41.093 14.071 31.905 1.00 30.57 C ATOM 1446 CG1 ILE D 61 41.254 15.401 31.195 1.00 30.51 C ATOM 1447 CG2 ILE D 61 42.183 13.169 31.404 1.00 31.33 C ATOM 1448 CD1 ILE D 61 42.457 16.236 31.699 1.00 30.68 C ATOM 1449 H ILE D 61 39.014 15.202 32.787 1.00 0.00 H ATOM 1450 N MET D 62 39.451 11.983 33.567 1.00 32.57 N ATOM 1451 CA MET D 62 39.332 10.714 34.277 1.00 34.21 C ATOM 1452 C MET D 62 38.060 10.015 33.792 1.00 33.66 C ATOM 1453 O MET D 62 38.088 8.842 33.446 1.00 31.65 O ATOM 1454 CB MET D 62 39.281 10.859 35.814 1.00 37.40 C ATOM 1455 CG MET D 62 40.636 10.867 36.550 1.00 40.63 C ATOM 1456 SD MET D 62 40.715 11.354 38.330 1.00 46.13 S ATOM 1457 CE MET D 62 42.459 11.217 38.683 1.00 48.22 C ATOM 1458 H MET D 62 39.416 12.866 34.116 1.00 0.00 H ATOM 1459 N THR D 63 36.951 10.748 33.751 1.00 32.26 N ATOM 1460 CA THR D 63 35.662 10.147 33.504 1.00 32.69 C ATOM 1461 C THR D 63 35.580 9.624 32.093 1.00 34.77 C ATOM 1462 O THR D 63 34.995 8.575 31.853 1.00 34.85 O ATOM 1463 CB THR D 63 34.518 11.087 33.759 1.00 33.33 C ATOM 1464 OG1 THR D 63 34.572 11.490 35.147 1.00 35.37 O ATOM 1465 CG2 THR D 63 33.165 10.406 33.431 1.00 33.84 C ATOM 1466 HG1 THR D 63 35.434 11.943 35.324 1.00 0.00 H ATOM 1467 H THR D 63 37.014 11.775 33.900 1.00 0.00 H ATOM 1468 N LYS D 64 36.215 10.317 31.172 1.00 34.66 N ATOM 1469 CA LYS D 64 36.176 9.900 29.804 1.00 35.50 C ATOM 1470 C LYS D 64 37.347 9.022 29.463 1.00 33.57 C ATOM 1471 O LYS D 64 37.436 8.618 28.346 1.00 33.90 O ATOM 1472 CB LYS D 64 36.196 11.125 28.884 1.00 36.15 C ATOM 1473 CG LYS D 64 34.866 11.835 28.834 1.00 39.48 C ATOM 1474 CD LYS D 64 34.590 12.312 27.418 1.00 43.72 C ATOM 1475 CE LYS D 64 33.408 13.242 27.356 1.00 46.94 C ATOM 1476 NZ LYS D 64 33.267 13.766 25.970 1.00 51.23 N ATOM 1477 HZ1 LYS D 64 34.131 14.282 25.706 1.00 0.00 H ATOM 1478 HZ2 LYS D 64 33.121 12.972 25.314 1.00 0.00 H ATOM 1479 HZ3 LYS D 64 32.451 14.409 25.925 1.00 0.00 H ATOM 1480 H LYS D 64 36.747 11.170 31.439 1.00 0.00 H ATOM 1481 N ARG D 65 38.273 8.781 30.386 1.00 33.43 N ATOM 1482 CA ARG D 65 39.443 7.953 30.099 1.00 34.33 C ATOM 1483 C ARG D 65 40.201 8.441 28.896 1.00 33.24 C ATOM 1484 O ARG D 65 40.512 7.661 28.002 1.00 31.10 O ATOM 1485 CB ARG D 65 39.023 6.463 29.906 1.00 38.62 C ATOM 1486 CG ARG D 65 38.753 5.789 31.229 1.00 42.35 C ATOM 1487 CD ARG D 65 37.287 5.659 31.485 1.00 47.63 C ATOM 1488 NE ARG D 65 36.630 4.634 30.661 1.00 52.66 N ATOM 1489 CZ ARG D 65 35.512 4.836 29.948 1.00 60.49 C ATOM 1490 NH1 ARG D 65 34.899 6.031 29.928 1.00 62.29 N ATOM 1491 NH2 ARG D 65 34.980 3.828 29.264 1.00 65.40 N ATOM 1492 HE ARG D 65 37.061 3.688 30.629 1.00 0.00 H ATOM 1493 HH12 ARG D 65 34.033 6.162 29.367 1.00 0.00 H ATOM 1494 HH11 ARG D 65 35.290 6.825 30.473 1.00 0.00 H ATOM 1495 HH22 ARG D 65 34.113 3.976 28.709 1.00 0.00 H ATOM 1496 HH21 ARG D 65 35.430 2.891 29.284 1.00 0.00 H ATOM 1497 H ARG D 65 38.162 9.191 31.335 1.00 0.00 H ATOM 1498 N LEU D 66 40.520 9.747 28.899 1.00 31.62 N ATOM 1499 CA LEU D 66 41.298 10.347 27.847 1.00 32.30 C ATOM 1500 C LEU D 66 42.764 10.047 28.028 1.00 32.39 C ATOM 1501 O LEU D 66 43.549 10.170 27.103 1.00 34.64 O ATOM 1502 CB LEU D 66 41.108 11.893 27.851 1.00 31.83 C ATOM 1503 CG LEU D 66 39.677 12.377 27.530 1.00 33.11 C ATOM 1504 CD1 LEU D 66 39.678 13.877 27.338 1.00 35.44 C ATOM 1505 CD2 LEU D 66 39.034 11.692 26.315 1.00 33.88 C ATOM 1506 H LEU D 66 40.194 10.343 29.687 1.00 0.00 H ATOM 1507 N TYR D 67 43.152 9.732 29.246 1.00 32.65 N ATOM 1508 CA TYR D 67 44.531 9.358 29.519 1.00 32.05 C ATOM 1509 C TYR D 67 44.844 8.045 28.832 1.00 34.89 C ATOM 1510 O TYR D 67 43.969 7.183 28.606 1.00 37.03 O ATOM 1511 CB TYR D 67 44.787 9.296 31.027 1.00 31.79 C ATOM 1512 CG TYR D 67 43.940 8.278 31.715 1.00 31.87 C ATOM 1513 CD1 TYR D 67 44.415 7.002 31.927 1.00 31.79 C ATOM 1514 CD2 TYR D 67 42.630 8.567 32.081 1.00 31.18 C ATOM 1515 CE1 TYR D 67 43.627 6.035 32.518 1.00 31.98 C ATOM 1516 CE2 TYR D 67 41.833 7.606 32.657 1.00 32.38 C ATOM 1517 CZ TYR D 67 42.348 6.326 32.889 1.00 32.04 C ATOM 1518 OH TYR D 67 41.551 5.361 33.481 1.00 30.90 O ATOM 1519 HH TYR D 67 41.267 5.673 34.376 1.00 0.00 H ATOM 1520 H TYR D 67 42.463 9.751 30.024 1.00 0.00 H ATOM 1521 N ASP D 68 46.097 7.861 28.482 1.00 35.58 N ATOM 1522 CA ASP D 68 46.486 6.628 27.841 1.00 36.26 C ATOM 1523 C ASP D 68 46.506 5.493 28.837 1.00 36.45 C ATOM 1524 O ASP D 68 46.904 5.704 29.970 1.00 33.72 O ATOM 1525 CB ASP D 68 47.875 6.764 27.275 1.00 37.98 C ATOM 1526 CG ASP D 68 48.249 5.596 26.410 1.00 40.08 C ATOM 1527 OD1 ASP D 68 47.467 5.300 25.474 1.00 42.07 O ATOM 1528 OD2 ASP D 68 49.284 4.970 26.714 1.00 39.83 O ATOM 1529 H ASP D 68 46.805 8.600 28.666 1.00 0.00 H ATOM 1530 N GLU D 69 46.148 4.281 28.367 1.00 37.37 N ATOM 1531 CA GLU D 69 45.956 3.090 29.211 1.00 39.71 C ATOM 1532 C GLU D 69 47.227 2.765 30.006 1.00 40.18 C ATOM 1533 O GLU D 69 47.168 2.485 31.210 1.00 39.44 O ATOM 1534 CB GLU D 69 45.556 1.865 28.312 1.00 42.39 C ATOM 1535 CG GLU D 69 44.390 1.045 28.810 1.00 42.81 C ATOM 1536 CD GLU D 69 44.423 -0.377 28.277 1.00 44.22 C ATOM 1537 OE1 GLU D 69 44.485 -0.600 27.044 1.00 44.64 O ATOM 1538 OE2 GLU D 69 44.423 -1.292 29.116 1.00 45.96 O ATOM 1539 H GLU D 69 45.998 4.181 27.343 1.00 0.00 H ATOM 1540 N LYS D 70 48.359 2.781 29.297 1.00 42.28 N ATOM 1541 CA LYS D 70 49.709 2.447 29.818 1.00 43.04 C ATOM 1542 C LYS D 70 50.384 3.668 30.447 1.00 44.23 C ATOM 1543 O LYS D 70 50.764 3.668 31.622 1.00 45.48 O ATOM 1544 CB LYS D 70 50.617 1.976 28.662 1.00 43.17 C ATOM 1545 H LYS D 70 48.289 3.050 28.295 1.00 0.00 H ATOM 1546 N GLN D 71 50.520 4.709 29.635 1.00 42.68 N ATOM 1547 CA GLN D 71 51.113 5.969 30.052 1.00 44.00 C ATOM 1548 C GLN D 71 50.060 6.905 30.603 1.00 39.02 C ATOM 1549 O GLN D 71 49.646 7.784 29.868 1.00 36.85 O ATOM 1550 CB GLN D 71 51.683 6.681 28.828 1.00 47.29 C ATOM 1551 CG GLN D 71 53.167 6.766 28.833 1.00 53.89 C ATOM 1552 CD GLN D 71 53.735 5.488 28.390 1.00 57.25 C ATOM 1553 OE1 GLN D 71 53.619 5.129 27.222 1.00 61.77 O ATOM 1554 NE2 GLN D 71 54.342 4.780 29.305 1.00 61.55 N ATOM 1555 HE22 GLN D 71 54.409 5.137 30.279 1.00 0.00 H ATOM 1556 HE21 GLN D 71 54.758 3.859 29.059 1.00 0.00 H ATOM 1557 H GLN D 71 50.187 4.619 28.654 1.00 0.00 H ATOM 1558 N GLN D 72 49.715 6.795 31.890 1.00 35.73 N ATOM 1559 CA GLN D 72 48.492 7.422 32.412 1.00 34.83 C ATOM 1560 C GLN D 72 48.614 8.959 32.599 1.00 33.96 C ATOM 1561 O GLN D 72 47.623 9.651 32.844 1.00 33.96 O ATOM 1562 CB GLN D 72 48.057 6.719 33.675 1.00 32.87 C ATOM 1563 CG GLN D 72 47.766 5.242 33.323 1.00 33.30 C ATOM 1564 CD GLN D 72 47.181 4.441 34.423 1.00 33.29 C ATOM 1565 OE1 GLN D 72 47.340 4.737 35.612 1.00 32.44 O ATOM 1566 NE2 GLN D 72 46.517 3.352 34.026 1.00 35.06 N ATOM 1567 HE22 GLN D 72 46.411 3.148 33.012 1.00 0.00 H ATOM 1568 HE21 GLN D 72 46.106 2.708 34.731 1.00 0.00 H ATOM 1569 H GLN D 72 50.325 6.254 32.536 1.00 0.00 H ATOM 1570 N HIS D 73 49.840 9.441 32.473 1.00 34.83 N ATOM 1571 CA HIS D 73 50.170 10.858 32.552 1.00 34.04 C ATOM 1572 C HIS D 73 50.109 11.535 31.197 1.00 33.88 C ATOM 1573 O HIS D 73 50.269 12.795 31.106 1.00 31.64 O ATOM 1574 CB HIS D 73 51.554 11.021 33.152 1.00 35.37 C ATOM 1575 CG HIS D 73 52.633 10.595 32.234 1.00 37.52 C ATOM 1576 ND1 HIS D 73 53.111 9.308 32.206 1.00 38.39 N ATOM 1577 CD2 HIS D 73 53.300 11.272 31.270 1.00 38.11 C ATOM 1578 CE1 HIS D 73 54.034 9.210 31.268 1.00 40.02 C ATOM 1579 NE2 HIS D 73 54.165 10.385 30.683 1.00 37.19 N ATOM 1580 H HIS D 73 50.615 8.767 32.308 1.00 0.00 H ATOM 1581 N ILE D 74 49.923 10.738 30.140 1.00 32.70 N ATOM 1582 CA ILE D 74 49.673 11.287 28.824 1.00 33.95 C ATOM 1583 C ILE D 74 48.177 11.349 28.541 1.00 33.66 C ATOM 1584 O ILE D 74 47.497 10.352 28.742 1.00 32.42 O ATOM 1585 CB ILE D 74 50.415 10.514 27.747 1.00 35.26 C ATOM 1586 CG1 ILE D 74 51.916 10.757 27.922 1.00 37.44 C ATOM 1587 CG2 ILE D 74 50.007 11.022 26.378 1.00 35.35 C ATOM 1588 CD1 ILE D 74 52.788 9.937 26.996 1.00 38.82 C ATOM 1589 H ILE D 74 49.958 9.706 30.265 1.00 0.00 H ATOM 1590 N VAL D 75 47.668 12.518 28.137 1.00 31.79 N ATOM 1591 CA VAL D 75 46.259 12.671 27.783 1.00 31.95 C ATOM 1592 C VAL D 75 46.146 12.810 26.279 1.00 32.26 C ATOM 1593 O VAL D 75 46.831 13.640 25.685 1.00 32.23 O ATOM 1594 CB VAL D 75 45.623 13.910 28.453 1.00 34.32 C ATOM 1595 CG1 VAL D 75 44.204 14.147 27.927 1.00 35.35 C ATOM 1596 CG2 VAL D 75 45.600 13.755 29.962 1.00 34.72 C ATOM 1597 H VAL D 75 48.296 13.345 28.073 1.00 0.00 H ATOM 1598 N TYR D 76 45.268 12.015 25.657 1.00 32.57 N ATOM 1599 CA TYR D 76 44.929 12.150 24.233 1.00 33.49 C ATOM 1600 C TYR D 76 43.597 12.841 24.115 1.00 32.84 C ATOM 1601 O TYR D 76 42.576 12.282 24.457 1.00 31.57 O ATOM 1602 CB TYR D 76 44.867 10.760 23.549 1.00 36.47 C ATOM 1603 CG TYR D 76 46.244 10.184 23.331 1.00 36.89 C ATOM 1604 CD1 TYR D 76 47.050 10.679 22.319 1.00 38.92 C ATOM 1605 CD2 TYR D 76 46.748 9.209 24.148 1.00 38.81 C ATOM 1606 CE1 TYR D 76 48.326 10.197 22.119 1.00 39.80 C ATOM 1607 CE2 TYR D 76 48.030 8.710 23.960 1.00 40.74 C ATOM 1608 CZ TYR D 76 48.821 9.230 22.952 1.00 40.43 C ATOM 1609 OH TYR D 76 50.095 8.740 22.723 1.00 42.22 O ATOM 1610 HH TYR D 76 50.505 9.231 21.968 1.00 0.00 H ATOM 1611 H TYR D 76 44.803 11.265 26.208 1.00 0.00 H ATOM 1612 N CYS D 77 43.627 14.097 23.681 1.00 32.95 N ATOM 1613 CA CYS D 77 42.440 14.918 23.545 1.00 32.50 C ATOM 1614 C CYS D 77 42.006 15.149 22.115 1.00 33.84 C ATOM 1615 O CYS D 77 40.972 15.783 21.873 1.00 33.99 O ATOM 1616 CB CYS D 77 42.639 16.266 24.233 1.00 32.41 C ATOM 1617 SG CYS D 77 44.226 17.058 23.931 1.00 32.25 S ATOM 1618 H CYS D 77 44.547 14.511 23.427 1.00 0.00 H ATOM 1619 N SER D 78 42.764 14.638 21.159 1.00 33.53 N ATOM 1620 CA SER D 78 42.387 14.713 19.792 1.00 34.96 C ATOM 1621 C SER D 78 40.954 14.185 19.577 1.00 35.70 C ATOM 1622 O SER D 78 40.526 13.200 20.176 1.00 35.81 O ATOM 1623 CB SER D 78 43.356 13.853 19.039 1.00 40.04 C ATOM 1624 OG SER D 78 43.332 14.194 17.686 1.00 45.01 O ATOM 1625 HG SER D 78 43.973 13.624 17.192 1.00 0.00 H ATOM 1626 H SER D 78 43.657 14.170 21.415 1.00 0.00 H ATOM 1627 N ASN D 79 40.207 14.838 18.723 1.00 34.70 N ATOM 1628 CA ASN D 79 38.827 14.475 18.428 1.00 35.89 C ATOM 1629 C ASN D 79 37.887 14.571 19.596 1.00 35.17 C ATOM 1630 O ASN D 79 36.802 14.027 19.547 1.00 35.75 O ATOM 1631 CB ASN D 79 38.752 13.061 17.819 1.00 37.65 C ATOM 1632 CG ASN D 79 39.770 12.865 16.719 1.00 38.32 C ATOM 1633 OD1 ASN D 79 39.772 13.598 15.750 1.00 39.01 O ATOM 1634 ND2 ASN D 79 40.641 11.875 16.867 1.00 39.24 N ATOM 1635 HD22 ASN D 79 40.603 11.271 17.713 1.00 0.00 H ATOM 1636 HD21 ASN D 79 41.361 11.703 16.137 1.00 0.00 H ATOM 1637 H ASN D 79 40.619 15.656 18.231 1.00 0.00 H ATOM 1638 N ASP D 80 38.298 15.264 20.637 1.00 34.90 N ATOM 1639 CA ASP D 80 37.427 15.587 21.754 1.00 36.47 C ATOM 1640 C ASP D 80 37.329 17.104 21.914 1.00 36.25 C ATOM 1641 O ASP D 80 38.287 17.814 21.665 1.00 35.12 O ATOM 1642 CB ASP D 80 38.007 15.027 23.044 1.00 35.91 C ATOM 1643 CG ASP D 80 37.062 15.175 24.226 1.00 36.92 C ATOM 1644 OD1 ASP D 80 36.205 14.296 24.392 1.00 38.07 O ATOM 1645 OD2 ASP D 80 37.196 16.129 25.027 1.00 32.04 O ATOM 1646 H ASP D 80 39.284 15.593 20.661 1.00 0.00 H ATOM 1647 N LEU D 81 36.197 17.590 22.399 1.00 37.74 N ATOM 1648 CA LEU D 81 36.088 19.012 22.743 1.00 38.38 C ATOM 1649 C LEU D 81 37.312 19.533 23.475 1.00 37.17 C ATOM 1650 O LEU D 81 37.735 20.687 23.270 1.00 35.59 O ATOM 1651 CB LEU D 81 34.856 19.280 23.576 1.00 41.61 C ATOM 1652 CG LEU D 81 34.384 20.748 23.689 1.00 47.90 C ATOM 1653 CD1 LEU D 81 35.086 21.460 24.835 1.00 53.28 C ATOM 1654 CD2 LEU D 81 34.549 21.566 22.411 1.00 49.10 C ATOM 1655 H LEU D 81 35.381 16.960 22.537 1.00 0.00 H ATOM 1656 N LEU D 82 37.883 18.733 24.361 1.00 33.45 N ATOM 1657 CA LEU D 82 39.085 19.193 25.028 1.00 33.41 C ATOM 1658 C LEU D 82 40.228 19.530 24.064 1.00 32.90 C ATOM 1659 O LEU D 82 41.022 20.466 24.295 1.00 31.08 O ATOM 1660 CB LEU D 82 39.532 18.193 26.085 1.00 33.48 C ATOM 1661 CG LEU D 82 40.793 18.574 26.857 1.00 32.47 C ATOM 1662 CD1 LEU D 82 40.522 19.848 27.641 1.00 32.81 C ATOM 1663 CD2 LEU D 82 41.290 17.518 27.795 1.00 33.11 C ATOM 1664 H LEU D 82 37.480 17.798 24.573 1.00 0.00 H ATOM 1665 N GLY D 83 40.327 18.767 22.976 1.00 34.22 N ATOM 1666 CA GLY D 83 41.348 19.006 21.981 1.00 34.57 C ATOM 1667 C GLY D 83 41.106 20.247 21.158 1.00 35.15 C ATOM 1668 O GLY D 83 42.038 20.917 20.778 1.00 34.79 O ATOM 1669 H GLY D 83 39.656 17.984 22.840 1.00 0.00 H ATOM 1670 N ASP D 84 39.842 20.512 20.870 1.00 36.56 N ATOM 1671 CA ASP D 84 39.444 21.715 20.184 1.00 40.89 C ATOM 1672 C ASP D 84 39.817 22.971 20.975 1.00 39.84 C ATOM 1673 O ASP D 84 40.290 23.940 20.423 1.00 42.94 O ATOM 1674 CB ASP D 84 37.933 21.704 19.992 1.00 43.24 C ATOM 1675 CG ASP D 84 37.471 20.606 19.082 1.00 47.18 C ATOM 1676 OD1 ASP D 84 38.322 19.967 18.431 1.00 53.17 O ATOM 1677 OD2 ASP D 84 36.255 20.372 19.004 1.00 49.63 O ATOM 1678 H ASP D 84 39.110 19.828 21.149 1.00 0.00 H ATOM 1679 N LEU D 85 39.556 22.955 22.272 1.00 37.72 N ATOM 1680 CA LEU D 85 39.938 24.036 23.156 1.00 35.92 C ATOM 1681 C LEU D 85 41.437 24.198 23.264 1.00 35.70 C ATOM 1682 O LEU D 85 41.992 25.321 23.114 1.00 33.17 O ATOM 1683 CB LEU D 85 39.415 23.712 24.561 1.00 36.60 C ATOM 1684 CG LEU D 85 38.123 24.372 24.997 1.00 40.50 C ATOM 1685 CD1 LEU D 85 37.200 24.727 23.838 1.00 41.10 C ATOM 1686 CD2 LEU D 85 37.462 23.498 26.050 1.00 39.16 C ATOM 1687 H LEU D 85 39.057 22.135 22.672 1.00 0.00 H ATOM 1688 N PHE D 86 42.115 23.089 23.560 1.00 32.50 N ATOM 1689 CA PHE D 86 43.535 23.145 23.871 1.00 32.38 C ATOM 1690 C PHE D 86 44.361 23.317 22.622 1.00 32.04 C ATOM 1691 O PHE D 86 45.443 23.860 22.718 1.00 35.58 O ATOM 1692 CB PHE D 86 44.011 21.942 24.678 1.00 32.96 C ATOM 1693 CG PHE D 86 43.816 22.060 26.164 1.00 32.63 C ATOM 1694 CD1 PHE D 86 42.915 22.944 26.726 1.00 33.74 C ATOM 1695 CD2 PHE D 86 44.508 21.225 26.998 1.00 34.01 C ATOM 1696 CE1 PHE D 86 42.778 23.037 28.098 1.00 34.67 C ATOM 1697 CE2 PHE D 86 44.346 21.277 28.378 1.00 34.55 C ATOM 1698 CZ PHE D 86 43.495 22.198 28.929 1.00 34.18 C ATOM 1699 H PHE D 86 41.623 22.173 23.569 1.00 0.00 H ATOM 1700 N GLY D 87 43.842 22.904 21.471 1.00 32.08 N ATOM 1701 CA GLY D 87 44.561 22.938 20.208 1.00 32.41 C ATOM 1702 C GLY D 87 45.755 22.000 20.071 1.00 34.19 C ATOM 1703 O GLY D 87 46.681 22.287 19.316 1.00 32.72 O ATOM 1704 H GLY D 87 42.869 22.537 21.474 1.00 0.00 H ATOM 1705 N VAL D 88 45.741 20.869 20.775 1.00 33.62 N ATOM 1706 CA VAL D 88 46.739 19.838 20.521 1.00 34.60 C ATOM 1707 C VAL D 88 46.003 18.484 20.536 1.00 35.74 C ATOM 1708 O VAL D 88 44.845 18.401 20.950 1.00 34.70 O ATOM 1709 CB VAL D 88 47.905 19.876 21.531 1.00 33.75 C ATOM 1710 CG1 VAL D 88 48.684 21.182 21.409 1.00 34.49 C ATOM 1711 CG2 VAL D 88 47.421 19.693 22.974 1.00 33.39 C ATOM 1712 H VAL D 88 45.017 20.722 21.507 1.00 0.00 H ATOM 1713 N PRO D 89 46.651 17.442 20.017 1.00 36.94 N ATOM 1714 CA PRO D 89 46.042 16.119 20.023 1.00 35.63 C ATOM 1715 C PRO D 89 46.357 15.341 21.315 1.00 34.71 C ATOM 1716 O PRO D 89 45.631 14.417 21.685 1.00 34.51 O ATOM 1717 CB PRO D 89 46.692 15.456 18.809 1.00 37.33 C ATOM 1718 CG PRO D 89 48.046 16.044 18.751 1.00 38.14 C ATOM 1719 CD PRO D 89 47.887 17.481 19.203 1.00 37.89 C ATOM 1720 N SER D 90 47.479 15.668 21.941 1.00 33.36 N ATOM 1721 CA SER D 90 47.840 15.110 23.231 1.00 32.29 C ATOM 1722 C SER D 90 48.713 16.107 24.040 1.00 31.33 C ATOM 1723 O SER D 90 49.203 17.061 23.490 1.00 29.23 O ATOM 1724 CB SER D 90 48.609 13.852 22.984 1.00 32.43 C ATOM 1725 OG SER D 90 49.909 14.167 22.624 1.00 31.89 O ATOM 1726 HG SER D 90 50.416 13.333 22.461 1.00 0.00 H ATOM 1727 H SER D 90 48.124 16.349 21.491 1.00 0.00 H ATOM 1728 N PHE D 91 48.903 15.837 25.324 1.00 31.66 N ATOM 1729 CA PHE D 91 49.846 16.563 26.197 1.00 31.91 C ATOM 1730 C PHE D 91 50.101 15.766 27.498 1.00 32.55 C ATOM 1731 O PHE D 91 49.343 14.832 27.830 1.00 33.99 O ATOM 1732 CB PHE D 91 49.280 17.946 26.554 1.00 31.36 C ATOM 1733 CG PHE D 91 48.036 17.891 27.354 1.00 29.88 C ATOM 1734 CD1 PHE D 91 46.810 17.811 26.735 1.00 29.98 C ATOM 1735 CD2 PHE D 91 48.094 17.913 28.736 1.00 30.52 C ATOM 1736 CE1 PHE D 91 45.632 17.785 27.472 1.00 29.70 C ATOM 1737 CE2 PHE D 91 46.929 17.891 29.494 1.00 30.37 C ATOM 1738 CZ PHE D 91 45.692 17.819 28.859 1.00 30.15 C ATOM 1739 H PHE D 91 48.351 15.062 25.744 1.00 0.00 H ATOM 1740 N SER D 92 51.141 16.156 28.227 1.00 31.04 N ATOM 1741 CA SER D 92 51.570 15.502 29.426 1.00 31.43 C ATOM 1742 C SER D 92 51.052 16.248 30.621 1.00 31.45 C ATOM 1743 O SER D 92 51.283 17.447 30.743 1.00 31.82 O ATOM 1744 CB SER D 92 53.114 15.434 29.466 1.00 31.86 C ATOM 1745 OG SER D 92 53.595 14.868 30.668 1.00 31.30 O ATOM 1746 HG SER D 92 54.585 14.845 30.648 1.00 0.00 H ATOM 1747 H SER D 92 51.677 16.988 27.907 1.00 0.00 H ATOM 1748 N VAL D 93 50.409 15.554 31.546 1.00 29.96 N ATOM 1749 CA VAL D 93 49.920 16.195 32.734 1.00 31.47 C ATOM 1750 C VAL D 93 51.034 16.747 33.601 1.00 32.15 C ATOM 1751 O VAL D 93 50.757 17.471 34.530 1.00 29.98 O ATOM 1752 CB VAL D 93 49.055 15.291 33.628 1.00 31.61 C ATOM 1753 CG1 VAL D 93 47.867 14.754 32.844 1.00 32.26 C ATOM 1754 CG2 VAL D 93 49.896 14.193 34.292 1.00 33.47 C ATOM 1755 H VAL D 93 50.256 14.534 31.411 1.00 0.00 H ATOM 1756 N LYS D 94 52.276 16.342 33.352 1.00 34.73 N ATOM 1757 CA LYS D 94 53.376 16.830 34.163 1.00 37.13 C ATOM 1758 C LYS D 94 53.856 18.233 33.772 1.00 36.73 C ATOM 1759 O LYS D 94 54.713 18.782 34.448 1.00 38.70 O ATOM 1760 CB LYS D 94 54.581 15.900 34.095 1.00 39.04 C ATOM 1761 CG LYS D 94 54.325 14.446 34.471 1.00 41.82 C ATOM 1762 CD LYS D 94 55.699 13.802 34.723 1.00 44.95 C ATOM 1763 CE LYS D 94 55.577 12.516 35.540 1.00 45.74 C ATOM 1764 NZ LYS D 94 54.908 11.580 34.628 1.00 46.21 N ATOM 1765 HZ1 LYS D 94 53.980 11.964 34.359 1.00 0.00 H ATOM 1766 HZ2 LYS D 94 55.491 11.451 33.777 1.00 0.00 H ATOM 1767 HZ3 LYS D 94 54.781 10.665 35.105 1.00 0.00 H ATOM 1768 H LYS D 94 52.459 15.675 32.575 1.00 0.00 H ATOM 1769 N GLU D 95 53.345 18.787 32.685 1.00 37.39 N ATOM 1770 CA GLU D 95 53.806 20.087 32.177 1.00 39.10 C ATOM 1771 C GLU D 95 52.791 21.162 32.461 1.00 35.23 C ATOM 1772 O GLU D 95 51.947 21.514 31.649 1.00 34.87 O ATOM 1773 CB GLU D 95 54.110 19.948 30.724 1.00 42.01 C ATOM 1774 CG GLU D 95 55.247 18.976 30.605 1.00 45.46 C ATOM 1775 CD GLU D 95 55.818 18.954 29.247 1.00 51.75 C ATOM 1776 OE1 GLU D 95 55.043 19.137 28.265 1.00 60.30 O ATOM 1777 OE2 GLU D 95 57.050 18.772 29.182 1.00 57.31 O ATOM 1778 H GLU D 95 52.592 18.286 32.172 1.00 0.00 H ATOM 1779 N HIS D 96 52.878 21.637 33.683 1.00 34.07 N ATOM 1780 CA HIS D 96 51.789 22.339 34.271 1.00 33.93 C ATOM 1781 C HIS D 96 51.687 23.714 33.633 1.00 34.06 C ATOM 1782 O HIS D 96 50.587 24.170 33.376 1.00 32.18 O ATOM 1783 CB HIS D 96 51.996 22.466 35.774 1.00 36.74 C ATOM 1784 CG HIS D 96 51.905 21.182 36.516 1.00 40.28 C ATOM 1785 ND1 HIS D 96 51.758 21.135 37.880 1.00 44.95 N ATOM 1786 CD2 HIS D 96 51.891 19.890 36.095 1.00 44.14 C ATOM 1787 CE1 HIS D 96 51.686 19.871 38.280 1.00 45.63 C ATOM 1788 NE2 HIS D 96 51.781 19.095 37.217 1.00 42.56 N ATOM 1789 H HIS D 96 53.753 21.498 34.227 1.00 0.00 H ATOM 1790 N ARG D 97 52.841 24.362 33.385 1.00 33.19 N ATOM 1791 CA ARG D 97 52.837 25.707 32.745 1.00 34.61 C ATOM 1792 C ARG D 97 52.156 25.632 31.383 1.00 34.24 C ATOM 1793 O ARG D 97 51.310 26.447 31.090 1.00 32.56 O ATOM 1794 CB ARG D 97 54.266 26.312 32.654 1.00 33.71 C ATOM 1795 CG ARG D 97 54.358 27.618 31.860 1.00 33.52 C ATOM 1796 CD ARG D 97 53.401 28.697 32.380 1.00 32.76 C ATOM 1797 NE ARG D 97 53.653 29.117 33.759 1.00 32.01 N ATOM 1798 CZ ARG D 97 52.747 29.659 34.552 1.00 32.50 C ATOM 1799 NH1 ARG D 97 51.500 29.886 34.125 1.00 32.68 N ATOM 1800 NH2 ARG D 97 53.087 29.996 35.781 1.00 33.92 N ATOM 1801 HE ARG D 97 54.611 28.979 34.140 1.00 0.00 H ATOM 1802 HH12 ARG D 97 50.801 30.314 34.765 1.00 0.00 H ATOM 1803 HH11 ARG D 97 51.229 29.635 33.153 1.00 0.00 H ATOM 1804 HH22 ARG D 97 52.384 30.424 36.416 1.00 0.00 H ATOM 1805 HH21 ARG D 97 54.059 29.834 36.115 1.00 0.00 H ATOM 1806 H ARG D 97 53.745 23.918 33.643 1.00 0.00 H ATOM 1807 N LYS D 98 52.495 24.626 30.574 1.00 33.76 N ATOM 1808 CA LYS D 98 51.881 24.508 29.276 1.00 34.53 C ATOM 1809 C LYS D 98 50.366 24.368 29.387 1.00 33.06 C ATOM 1810 O LYS D 98 49.669 24.848 28.514 1.00 30.40 O ATOM 1811 CB LYS D 98 52.374 23.290 28.516 1.00 38.29 C ATOM 1812 CG LYS D 98 53.844 23.324 28.076 1.00 45.56 C ATOM 1813 CD LYS D 98 54.108 22.342 26.918 1.00 48.28 C ATOM 1814 CE LYS D 98 55.453 22.583 26.245 1.00 50.80 C ATOM 1815 NZ LYS D 98 56.457 21.810 27.005 1.00 54.10 N ATOM 1816 HZ1 LYS D 98 56.473 22.140 27.991 1.00 0.00 H ATOM 1817 HZ2 LYS D 98 56.207 20.801 26.980 1.00 0.00 H ATOM 1818 HZ3 LYS D 98 57.395 21.947 26.577 1.00 0.00 H ATOM 1819 H LYS D 98 53.202 23.928 30.880 1.00 0.00 H ATOM 1820 N ILE D 99 49.889 23.694 30.433 1.00 29.24 N ATOM 1821 CA ILE D 99 48.475 23.486 30.616 1.00 28.95 C ATOM 1822 C ILE D 99 47.817 24.798 31.062 1.00 29.55 C ATOM 1823 O ILE D 99 46.704 25.129 30.635 1.00 27.71 O ATOM 1824 CB ILE D 99 48.190 22.386 31.681 1.00 27.11 C ATOM 1825 CG1 ILE D 99 48.647 21.023 31.151 1.00 27.90 C ATOM 1826 CG2 ILE D 99 46.721 22.369 32.079 1.00 26.15 C ATOM 1827 CD1 ILE D 99 48.691 19.932 32.185 1.00 27.91 C ATOM 1828 H ILE D 99 50.553 23.309 31.134 1.00 0.00 H ATOM 1829 N TYR D 100 48.445 25.496 32.007 1.00 32.74 N ATOM 1830 CA TYR D 100 47.933 26.824 32.381 1.00 32.46 C ATOM 1831 C TYR D 100 47.773 27.712 31.141 1.00 32.64 C ATOM 1832 O TYR D 100 46.693 28.316 30.911 1.00 33.91 O ATOM 1833 CB TYR D 100 48.799 27.497 33.459 1.00 33.47 C ATOM 1834 CG TYR D 100 48.294 27.221 34.857 1.00 33.73 C ATOM 1835 CD1 TYR D 100 48.292 25.926 35.399 1.00 35.17 C ATOM 1836 CD2 TYR D 100 47.809 28.224 35.638 1.00 34.65 C ATOM 1837 CE1 TYR D 100 47.826 25.683 36.694 1.00 34.15 C ATOM 1838 CE2 TYR D 100 47.325 27.982 36.920 1.00 35.89 C ATOM 1839 CZ TYR D 100 47.322 26.709 37.437 1.00 34.50 C ATOM 1840 OH TYR D 100 46.847 26.548 38.715 1.00 34.40 O ATOM 1841 HH TYR D 100 46.898 25.592 38.967 1.00 0.00 H ATOM 1842 H TYR D 100 49.288 25.107 32.475 1.00 0.00 H ATOM 1843 N THR D 101 48.821 27.759 30.324 1.00 31.26 N ATOM 1844 CA THR D 101 48.807 28.578 29.125 1.00 31.21 C ATOM 1845 C THR D 101 47.652 28.212 28.265 1.00 30.89 C ATOM 1846 O THR D 101 46.911 29.083 27.859 1.00 30.27 O ATOM 1847 CB THR D 101 50.144 28.494 28.382 1.00 32.69 C ATOM 1848 OG1 THR D 101 51.155 29.107 29.194 1.00 31.07 O ATOM 1849 CG2 THR D 101 50.093 29.153 27.006 1.00 33.46 C ATOM 1850 HG1 THR D 101 52.026 29.060 28.726 1.00 0.00 H ATOM 1851 H THR D 101 49.668 27.198 30.548 1.00 0.00 H ATOM 1852 N MET D 102 47.409 26.909 28.060 1.00 30.34 N ATOM 1853 CA MET D 102 46.253 26.500 27.249 1.00 30.02 C ATOM 1854 C MET D 102 44.908 26.911 27.811 1.00 29.24 C ATOM 1855 O MET D 102 44.032 27.307 27.086 1.00 30.45 O ATOM 1856 CB MET D 102 46.294 24.975 26.962 1.00 32.28 C ATOM 1857 CG MET D 102 47.498 24.566 26.092 1.00 32.36 C ATOM 1858 SD MET D 102 47.636 22.809 25.655 1.00 33.72 S ATOM 1859 CE MET D 102 47.926 22.140 27.265 1.00 32.96 C ATOM 1860 H MET D 102 48.036 26.190 28.474 1.00 0.00 H ATOM 1861 N ILE D 103 44.740 26.825 29.118 1.00 29.70 N ATOM 1862 CA ILE D 103 43.529 27.265 29.747 1.00 30.56 C ATOM 1863 C ILE D 103 43.367 28.793 29.655 1.00 29.77 C ATOM 1864 O ILE D 103 42.294 29.293 29.339 1.00 28.95 O ATOM 1865 CB ILE D 103 43.544 26.825 31.237 1.00 32.04 C ATOM 1866 CG1 ILE D 103 43.425 25.298 31.331 1.00 30.75 C ATOM 1867 CG2 ILE D 103 42.373 27.420 32.044 1.00 32.48 C ATOM 1868 CD1 ILE D 103 43.518 24.785 32.745 1.00 30.09 C ATOM 1869 H ILE D 103 45.503 26.429 29.704 1.00 0.00 H ATOM 1870 N TYR D 104 44.440 29.517 29.912 1.00 30.03 N ATOM 1871 CA TYR D 104 44.390 31.014 29.840 1.00 31.66 C ATOM 1872 C TYR D 104 43.906 31.571 28.514 1.00 33.05 C ATOM 1873 O TYR D 104 43.298 32.676 28.481 1.00 34.23 O ATOM 1874 CB TYR D 104 45.731 31.615 30.104 1.00 31.42 C ATOM 1875 CG TYR D 104 46.133 31.687 31.539 1.00 32.14 C ATOM 1876 CD1 TYR D 104 45.246 32.130 32.545 1.00 32.46 C ATOM 1877 CD2 TYR D 104 47.443 31.433 31.894 1.00 31.55 C ATOM 1878 CE1 TYR D 104 45.663 32.216 33.873 1.00 32.72 C ATOM 1879 CE2 TYR D 104 47.857 31.513 33.201 1.00 32.45 C ATOM 1880 CZ TYR D 104 47.001 31.912 34.189 1.00 31.98 C ATOM 1881 OH TYR D 104 47.512 31.977 35.478 1.00 32.62 O ATOM 1882 HH TYR D 104 48.264 32.620 35.501 1.00 0.00 H ATOM 1883 H TYR D 104 45.330 29.044 30.167 1.00 0.00 H ATOM 1884 N ARG D 105 44.177 30.842 27.420 1.00 33.70 N ATOM 1885 CA ARG D 105 43.670 31.192 26.082 1.00 34.50 C ATOM 1886 C ARG D 105 42.178 30.923 25.878 1.00 33.77 C ATOM 1887 O ARG D 105 41.702 31.073 24.783 1.00 35.30 O ATOM 1888 CB ARG D 105 44.410 30.388 25.017 1.00 37.05 C ATOM 1889 CG ARG D 105 45.904 30.717 24.874 1.00 41.41 C ATOM 1890 CD ARG D 105 46.603 29.500 24.268 1.00 44.79 C ATOM 1891 NE ARG D 105 48.036 29.641 24.255 1.00 49.14 N ATOM 1892 CZ ARG D 105 48.882 28.692 23.888 1.00 54.92 C ATOM 1893 NH1 ARG D 105 48.421 27.493 23.521 1.00 55.48 N ATOM 1894 NH2 ARG D 105 50.196 28.941 23.902 1.00 57.45 N ATOM 1895 HE ARG D 105 48.434 30.554 24.555 1.00 0.00 H ATOM 1896 HH12 ARG D 105 49.085 26.747 23.232 1.00 0.00 H ATOM 1897 HH11 ARG D 105 47.398 27.306 23.524 1.00 0.00 H ATOM 1898 HH22 ARG D 105 50.869 28.201 23.615 1.00 0.00 H ATOM 1899 HH21 ARG D 105 50.545 29.874 24.200 1.00 0.00 H ATOM 1900 H ARG D 105 44.770 29.994 27.521 1.00 0.00 H ATOM 1901 N ASN D 106 41.460 30.473 26.904 1.00 32.91 N ATOM 1902 CA ASN D 106 40.076 30.038 26.734 1.00 34.38 C ATOM 1903 C ASN D 106 39.190 30.682 27.777 1.00 34.65 C ATOM 1904 O ASN D 106 38.226 30.086 28.249 1.00 35.11 O ATOM 1905 CB ASN D 106 39.999 28.518 26.871 1.00 33.00 C ATOM 1906 CG ASN D 106 40.458 27.826 25.639 1.00 32.84 C ATOM 1907 OD1 ASN D 106 39.850 27.972 24.591 1.00 34.76 O ATOM 1908 ND2 ASN D 106 41.553 27.101 25.734 1.00 32.60 N ATOM 1909 HD22 ASN D 106 42.036 27.006 26.650 1.00 0.00 H ATOM 1910 HD21 ASN D 106 41.935 26.623 24.893 1.00 0.00 H ATOM 1911 H ASN D 106 41.894 30.430 27.848 1.00 0.00 H ATOM 1912 N LEU D 107 39.567 31.901 28.154 1.00 34.59 N ATOM 1913 CA LEU D 107 38.831 32.679 29.119 1.00 35.90 C ATOM 1914 C LEU D 107 38.159 33.873 28.435 1.00 36.76 C ATOM 1915 O LEU D 107 38.475 34.250 27.312 1.00 35.32 O ATOM 1916 CB LEU D 107 39.770 33.175 30.211 1.00 34.84 C ATOM 1917 CG LEU D 107 40.612 32.084 30.875 1.00 33.86 C ATOM 1918 CD1 LEU D 107 41.615 32.646 31.861 1.00 34.08 C ATOM 1919 CD2 LEU D 107 39.670 31.124 31.567 1.00 33.89 C ATOM 1920 H LEU D 107 40.427 32.309 27.736 1.00 0.00 H ATOM 1921 N VAL D 108 37.202 34.439 29.126 1.00 39.24 N ATOM 1922 CA VAL D 108 36.631 35.716 28.728 1.00 40.83 C ATOM 1923 C VAL D 108 36.672 36.600 29.956 1.00 43.97 C ATOM 1924 O VAL D 108 36.981 36.152 31.056 1.00 42.61 O ATOM 1925 CB VAL D 108 35.167 35.592 28.216 1.00 41.63 C ATOM 1926 CG1 VAL D 108 35.049 34.601 27.065 1.00 41.26 C ATOM 1927 CG2 VAL D 108 34.248 35.231 29.362 1.00 42.43 C ATOM 1928 H VAL D 108 36.842 33.965 29.979 1.00 0.00 H ATOM 1929 N VAL D 109 36.318 37.861 29.759 1.00 50.09 N ATOM 1930 CA VAL D 109 36.454 38.867 30.775 1.00 54.54 C ATOM 1931 C VAL D 109 35.184 38.967 31.665 1.00 61.85 C ATOM 1932 O VAL D 109 34.028 39.059 31.174 1.00 61.44 O ATOM 1933 CB VAL D 109 36.796 40.213 30.077 1.00 58.38 C ATOM 1934 CG1 VAL D 109 35.558 40.863 29.457 1.00 60.24 C ATOM 1935 CG2 VAL D 109 37.499 41.150 31.019 1.00 59.03 C ATOM 1936 H VAL D 109 35.927 38.133 28.834 1.00 0.00 H ATOM 1937 N VAL D 110 35.406 38.955 32.981 1.00 66.48 N ATOM 1938 CA VAL D 110 34.326 39.182 33.966 1.00 69.55 C ATOM 1939 C VAL D 110 33.779 40.622 33.959 1.00 70.20 C ATOM 1940 O VAL D 110 32.633 40.869 33.561 1.00 70.75 O ATOM 1941 CB VAL D 110 34.796 38.775 35.396 1.00 67.27 C ATOM 1942 H VAL D 110 36.371 38.780 33.326 1.00 0.00 H TER 1943 VAL D 110 HETATM 1944 O HOH 1 41.384 16.771 49.749 1.00 47.16 O HETATM 1945 O HOH 2 52.495 13.656 45.006 1.00 44.74 O HETATM 1946 O HOH 3 53.824 6.134 48.057 1.00 48.95 O HETATM 1947 O HOH 4 50.028 -9.436 33.891 1.00 45.92 O HETATM 1948 O HOH 5 24.718 -2.077 48.389 1.00 47.00 O HETATM 1949 O HOH 6 49.179 -6.564 50.709 1.00 36.91 O HETATM 1950 O HOH 7 49.911 3.111 51.319 1.00 39.92 O HETATM 1951 O HOH 8 35.477 -14.525 39.084 1.00 46.59 O HETATM 1952 O HOH 9 37.871 -11.554 48.482 1.00 35.79 O HETATM 1953 O HOH 10 51.681 16.417 45.223 1.00 51.56 O HETATM 1954 O HOH 11 37.661 6.741 59.961 1.00 55.72 O HETATM 1955 O HOH 12 52.234 -2.778 44.527 1.00 37.81 O HETATM 1956 O HOH 13 43.446 -2.593 37.889 1.00 35.33 O HETATM 1957 O HOH 14 33.669 12.226 53.689 1.00 43.72 O HETATM 1958 O HOH 15 54.397 0.235 44.320 1.00 43.78 O HETATM 1959 O HOH 16 46.217 -8.425 47.547 1.00 37.60 O HETATM 1960 O HOH 17 37.972 16.682 50.490 1.00 29.78 O HETATM 1961 O HOH 18 31.318 8.501 53.479 1.00 46.68 O HETATM 1962 O HOH 19 53.218 -5.106 42.808 1.00 41.62 O HETATM 1963 O HOH 20 42.046 15.173 51.423 1.00 40.43 O HETATM 1964 O HOH 21 34.878 11.781 39.646 1.00 37.50 O HETATM 1965 O HOH 22 51.056 7.738 35.945 1.00 44.83 O HETATM 1966 O HOH 23 52.266 -8.529 44.999 1.00 46.75 O HETATM 1967 O HOH 24 36.703 11.565 37.585 1.00 28.74 O HETATM 1968 O HOH 25 38.522 6.925 37.558 1.00 33.28 O HETATM 1969 O HOH 26 41.823 -6.197 53.520 1.00 44.57 O HETATM 1970 O HOH 27 39.292 9.197 62.184 1.00 42.23 O HETATM 1971 O HOH 28 41.857 17.759 47.584 1.00 45.45 O HETATM 1972 O HOH 29 43.859 16.556 53.237 1.00 43.13 O HETATM 1973 O HOH 30 51.631 -2.249 47.664 1.00 41.56 O HETATM 1974 O HOH 31 41.471 -13.739 34.591 1.00 42.24 O HETATM 1975 O HOH 32 50.341 1.329 36.741 1.00 40.91 O HETATM 1976 O HOH 33 31.639 -3.651 51.370 1.00 39.78 O HETATM 1977 O HOH 34 27.458 -12.489 39.763 1.00 51.67 O HETATM 1978 O HOH 35 29.816 8.091 51.099 1.00 54.97 O HETATM 1979 O HOH 36 36.220 -14.253 36.639 1.00 54.55 O HETATM 1980 O HOH 37 29.517 -4.639 53.081 1.00 38.18 O HETATM 1981 O HOH 38 30.956 7.413 56.588 1.00 64.04 O HETATM 1982 O HOH 39 23.960 -4.945 47.640 1.00 48.51 O HETATM 1983 O HOH 40 53.333 28.326 28.528 1.00 45.88 O HETATM 1984 O HOH 41 38.545 3.265 29.823 1.00 52.63 O HETATM 1985 O HOH 42 52.709 7.422 33.796 1.00 35.61 O HETATM 1986 O HOH 43 41.773 3.480 31.746 1.00 38.86 O HETATM 1987 O HOH 44 52.884 18.333 27.117 1.00 33.45 O HETATM 1988 O HOH 45 55.592 23.650 34.246 1.00 37.94 O HETATM 1989 O HOH 46 27.778 20.923 29.755 1.00 39.61 O HETATM 1990 O HOH 47 41.357 5.457 26.926 1.00 59.53 O HETATM 1991 O HOH 48 47.158 24.131 39.648 1.00 37.15 O HETATM 1992 O HOH 49 41.325 33.729 27.131 1.00 40.01 O HETATM 1993 O HOH 50 49.886 33.886 34.880 1.00 31.88 O HETATM 1994 O HOH 51 34.102 15.963 22.854 1.00 45.15 O HETATM 1995 O HOH 52 32.352 17.235 40.405 1.00 48.41 O HETATM 1996 O HOH 53 35.914 38.660 27.171 1.00 43.96 O HETATM 1997 O HOH 54 38.778 35.289 32.969 1.00 35.60 O HETATM 1998 O HOH 55 49.030 6.176 37.262 1.00 35.42 O HETATM 1999 O HOH 56 32.280 12.728 36.127 1.00 49.54 O HETATM 2000 O HOH 57 39.621 6.832 34.894 1.00 41.53 O HETATM 2001 O HOH 58 31.238 31.820 29.314 1.00 48.62 O HETATM 2002 O HOH 59 42.270 5.071 29.386 1.00 39.86 O HETATM 2003 O HOH 60 43.239 7.306 25.866 1.00 51.43 O HETATM 2004 O HOH 61 42.077 36.532 41.110 1.00 47.07 O HETATM 2005 O HOH 62 40.015 6.762 25.239 1.00 53.20 O HETATM 2006 O HOH 63 27.818 31.825 38.609 1.00 56.51 O HETATM 2007 O HOH 64 30.845 24.425 40.964 1.00 52.56 O HETATM 2008 O HOH 65 33.277 29.397 23.503 1.00 38.85 O HETATM 2009 O HOH 66 27.149 15.084 31.350 1.00 52.61 O HETATM 2010 O HOH 67 30.179 32.368 39.737 1.00 50.85 O HETATM 2011 O HOH 68 44.171 2.160 32.151 1.00 50.30 O HETATM 2012 O HOH 69 55.273 23.161 31.351 1.00 43.03 O HETATM 2013 O HOH 70 31.677 14.524 30.416 1.00 46.24 O HETATM 2014 O HOH 71 46.250 23.057 49.044 1.00 54.52 O HETATM 2015 O HOH 72 39.374 39.584 33.305 1.00 41.37 O HETATM 2016 O HOH 73 53.243 27.005 26.143 1.00 44.49 O HETATM 2017 O HOH 74 28.468 30.393 29.062 1.00 46.00 O HETATM 2018 O28 UNN A 75 52.370 14.522 37.699 1.00 -0.57 O HETATM 2019 C25 UNN A 75 52.795 13.549 38.272 1.00 0.04 C HETATM 2020 O26 UNN A 75 54.064 13.509 38.651 1.00 -0.57 O HETATM 2021 C24 UNN A 75 51.884 12.371 38.530 1.00 0.02 C HETATM 2022 C23 UNN A 75 50.578 12.549 37.775 1.00 0.05 C HETATM 2023 C21 UNN A 75 50.081 11.236 37.232 1.00 0.18 C HETATM 2024 O22 UNN A 75 50.861 10.363 36.868 1.00 -0.40 O HETATM 2025 N20 UNN A 75 48.765 11.142 37.180 1.00 -0.29 N HETATM 2026 C19 UNN A 75 48.137 9.995 36.590 1.00 0.03 C HETATM 2027 C17 UNN A 75 46.781 9.775 37.234 1.00 -0.03 C HETATM 2028 C16 UNN A 75 46.184 8.616 36.469 1.00 -0.05 C HETATM 2029 C13 UNN A 75 44.751 8.395 36.871 1.00 -0.05 C HETATM 2030 C12 UNN A 75 44.260 7.311 35.926 1.00 -0.03 C HETATM 2031 C3 UNN A 75 42.972 6.718 36.419 1.00 0.08 C HETATM 2032 O1 UNN A 75 43.231 6.135 37.669 1.00 -0.28 O HETATM 2033 C60 UNN A 75 42.213 5.345 38.297 1.00 0.29 C HETATM 2034 O2 UNN A 75 41.189 5.064 37.712 1.00 -0.36 O HETATM 2035 C48 UNN A 75 42.375 4.988 39.678 1.00 0.16 C HETATM 2036 N49 UNN A 75 41.548 4.265 40.434 1.00 -0.26 N HETATM 2037 C46 UNN A 75 41.944 4.194 41.711 1.00 0.07 C HETATM 2038 C56 UNN A 75 41.456 3.602 42.839 1.00 -0.03 C HETATM 2039 C57 UNN A 75 42.097 3.664 44.023 1.00 0.03 C HETATM 2040 CL1 UNN A 75 41.489 2.829 45.478 1.00 -0.08 CL HETATM 2041 C58 UNN A 75 43.291 4.399 44.156 1.00 -0.06 C HETATM 2042 C59 UNN A 75 43.831 5.011 43.058 1.00 -0.07 C HETATM 2043 C45 UNN A 75 43.203 4.957 41.850 1.00 -0.00 C HETATM 2044 C44 UNN A 75 43.445 5.500 40.527 1.00 0.04 C HETATM 2045 C14 UNN A 75 44.684 6.312 40.279 1.00 0.08 C HETATM 2046 N13 UNN A 75 45.734 5.844 39.642 1.00 -0.23 N HETATM 2047 C5 UNN A 75 45.874 4.555 38.930 1.00 0.09 C HETATM 2048 C6 UNN A 75 45.788 3.330 39.831 1.00 -0.01 C HETATM 2049 C7 UNN A 75 45.247 2.140 39.314 1.00 -0.06 C HETATM 2050 C8 UNN A 75 45.150 1.026 40.136 1.00 -0.05 C HETATM 2051 C9 UNN A 75 45.591 1.101 41.409 1.00 0.03 C HETATM 2052 CL2 UNN A 75 45.529 -0.285 42.477 1.00 -0.08 CL HETATM 2053 C10 UNN A 75 46.115 2.261 41.973 1.00 -0.05 C HETATM 2054 C11 UNN A 75 46.236 3.392 41.150 1.00 -0.06 C HETATM 2055 H27 UNN A 75 46.674 4.305 41.536 1.00 0.06 H HETATM 2056 H26 UNN A 75 46.419 2.290 43.013 1.00 0.06 H HETATM 2057 H25 UNN A 75 44.724 0.104 39.759 1.00 0.06 H HETATM 2058 H24 UNN A 75 44.909 2.093 38.285 1.00 0.06 H HETATM 2059 H22 UNN A 75 46.852 4.544 38.426 1.00 0.08 H HETATM 2060 H23 UNN A 75 45.073 4.487 38.179 1.00 0.08 H HETATM 2061 C18 UNN A 75 46.688 6.804 39.729 1.00 0.10 C HETATM 2062 N16 UNN A 75 46.283 7.864 40.466 1.00 -0.32 N HETATM 2063 C15 UNN A 75 45.009 7.627 40.877 1.00 0.03 C HETATM 2064 C37 UNN A 75 44.198 8.605 41.590 1.00 -0.03 C HETATM 2065 C38 UNN A 75 42.858 8.683 41.337 1.00 -0.06 C HETATM 2066 C39 UNN A 75 42.094 9.683 41.937 1.00 -0.03 C HETATM 2067 C40 UNN A 75 42.717 10.607 42.777 1.00 0.13 C HETATM 2068 F UNN A 75 41.982 11.546 43.397 1.00 -0.19 F HETATM 2069 C41 UNN A 75 44.073 10.536 43.035 1.00 -0.03 C HETATM 2070 C42 UNN A 75 44.808 9.571 42.373 1.00 -0.06 C HETATM 2071 H32 UNN A 75 45.888 9.570 42.469 1.00 0.06 H HETATM 2072 H31 UNN A 75 44.545 11.216 43.735 1.00 0.06 H HETATM 2073 H30 UNN A 75 41.027 9.742 41.753 1.00 0.06 H HETATM 2074 H29 UNN A 75 42.389 7.968 40.670 1.00 0.06 H HETATM 2075 H28 UNN A 75 47.668 6.730 39.260 1.00 0.12 H HETATM 2076 H20 UNN A 75 44.770 5.545 43.150 1.00 0.06 H HETATM 2077 H21 UNN A 75 43.778 4.479 45.121 1.00 0.05 H HETATM 2078 H19 UNN A 75 40.518 3.062 42.781 1.00 0.06 H HETATM 2079 H18 UNN A 75 40.697 3.810 40.074 1.00 0.23 H HETATM 2080 H16 UNN A 75 42.616 5.953 35.714 1.00 0.06 H HETATM 2081 H17 UNN A 75 42.210 7.505 36.522 1.00 0.06 H HETATM 2082 H14 UNN A 75 45.020 6.519 35.860 1.00 0.03 H HETATM 2083 H15 UNN A 75 44.098 7.747 34.929 1.00 0.03 H HETATM 2084 H12 UNN A 75 44.164 9.317 36.745 1.00 0.03 H HETATM 2085 H13 UNN A 75 44.687 8.059 37.916 1.00 0.03 H HETATM 2086 H10 UNN A 75 46.763 7.706 36.683 1.00 0.03 H HETATM 2087 H11 UNN A 75 46.227 8.834 35.392 1.00 0.03 H HETATM 2088 H8 UNN A 75 46.153 10.672 37.134 1.00 0.03 H HETATM 2089 H9 UNN A 75 46.892 9.522 38.299 1.00 0.03 H HETATM 2090 H6 UNN A 75 48.768 9.108 36.751 1.00 0.05 H HETATM 2091 H7 UNN A 75 48.008 10.162 35.511 1.00 0.05 H HETATM 2092 H5 UNN A 75 48.201 11.877 37.555 1.00 0.19 H HETATM 2093 H3 UNN A 75 50.739 13.245 36.939 1.00 0.05 H HETATM 2094 H4 UNN A 75 49.822 12.964 38.458 1.00 0.05 H HETATM 2095 H1 UNN A 75 51.675 12.301 39.608 1.00 0.05 H HETATM 2096 H2 UNN A 75 52.377 11.448 38.192 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 988 989 992 993 994 CONECT 992 988 CONECT 993 988 CONECT 994 988 CONECT 2018 2019 CONECT 2019 2018 2020 2021 CONECT 2020 2019 CONECT 2021 2019 2022 2095 2096 CONECT 2022 2021 2023 2093 2094 CONECT 2023 2022 2024 2025 CONECT 2024 2023 CONECT 2025 2023 2026 2092 CONECT 2026 2025 2027 2090 2091 CONECT 2027 2026 2028 2088 2089 CONECT 2028 2027 2029 2086 2087 CONECT 2029 2028 2030 2084 2085 CONECT 2030 2029 2031 2082 2083 CONECT 2031 2030 2032 2080 2081 CONECT 2032 2031 2033 CONECT 2033 2032 2034 2035 CONECT 2034 2033 CONECT 2035 2033 2036 2044 CONECT 2036 2035 2037 2079 CONECT 2037 2036 2038 2043 CONECT 2038 2037 2039 2078 CONECT 2039 2038 2040 2041 CONECT 2040 2039 CONECT 2041 2039 2042 2077 CONECT 2042 2041 2043 2076 CONECT 2043 2037 2042 2044 CONECT 2044 2035 2043 2045 CONECT 2045 2044 2046 2063 CONECT 2046 2045 2047 2061 CONECT 2047 2046 2048 2059 2060 CONECT 2048 2047 2049 2054 CONECT 2049 2048 2050 2058 CONECT 2050 2049 2051 2057 CONECT 2051 2050 2052 2053 CONECT 2052 2051 CONECT 2053 2051 2054 2056 CONECT 2054 2048 2053 2055 CONECT 2055 2054 CONECT 2056 2053 CONECT 2057 2050 CONECT 2058 2049 CONECT 2059 2047 CONECT 2060 2047 CONECT 2061 2046 2062 2075 CONECT 2062 2061 2063 CONECT 2063 2045 2062 2064 CONECT 2064 2063 2065 2070 CONECT 2065 2064 2066 2074 CONECT 2066 2065 2067 2073 CONECT 2067 2066 2068 2069 CONECT 2068 2067 CONECT 2069 2067 2070 2072 CONECT 2070 2064 2069 2071 CONECT 2071 2070 CONECT 2072 2069 CONECT 2073 2066 CONECT 2074 2065 CONECT 2075 2061 CONECT 2076 2042 CONECT 2077 2041 CONECT 2078 2038 CONECT 2079 2036 CONECT 2080 2031 CONECT 2081 2031 CONECT 2082 2030 CONECT 2083 2030 CONECT 2084 2029 CONECT 2085 2029 CONECT 2086 2028 CONECT 2087 2028 CONECT 2088 2027 CONECT 2089 2027 CONECT 2090 2026 CONECT 2091 2026 CONECT 2092 2025 CONECT 2093 2022 CONECT 2094 2022 CONECT 2095 2021 CONECT 2096 2021 MASTER 0 0 0 0 0 0 0 0 2094 2 87 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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3lbk
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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4dij
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
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RCSB PDB
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4jv9
RCSB PDB
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4jve
RCSB PDB
PDBbind
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4jwr
RCSB PDB
PDBbind
95aa, >4JWR_1|Chains... at 100%
4mdn
RCSB PDB
PDBbind
94aa, >4MDN_1|Chain... at 98%
4mdq
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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4occ
RCSB PDB
PDBbind
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4ode
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
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RCSB PDB
PDBbind
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PDBbind
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4zyc
RCSB PDB
PDBbind
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4zyf
RCSB PDB
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5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
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RCSB PDB
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104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7g
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
PDBbind
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6i3s
RCSB PDB
PDBbind
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6q9o
RCSB PDB
PDBbind
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6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5j7g
RCSB PDB
PDBbind
6GG
Entry Information
PDB ID
5j7f
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
6GG
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
IC50=0.058uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 4234-4244
Ligand Properties
Formula
C
3
5
H
3
3
Cl
2
FN
4
O
5
Molecular Weight
679.565
Exact Mass
678.181
No. of atoms
80
No. of bonds
84
Polar Surface Area
126.31
LOGP Value
8.22 (
Computed with XLOGP3
)
8.28 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
Canonical SMILES
O=C(CCC(=O)O)NCCCCCCOC(=O)c1[nH]c2c(c1c1n(cnc1c1ccc(cc1)F)Cc1ccc(cc1)Cl)ccc(c2)Cl
InChI String
InChI=1S/C35H33Cl2FN4O5/c36-24-9-5-22(6-10-24)20-42-21-40-32(23-7-12-26(38)13-8-23)34(42)31-27-14-11-25(37)19-28(27)41-33(31)35(46)47-18-4-2-1-3-17-39-29(43)15-16-30(44)45/h5-14,19,21,41H,1-4,15-18,20H2,(H,39,43)(H,44,45)
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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