Browse entries in the PDBbind-CN Database
HEADER 4MDN_COMPLEX COMPND 4MDN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 94 MET GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG SEQRES 2 A 94 PRO LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY SEQRES 3 A 94 ALA GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE SEQRES 4 A 94 TYR LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP SEQRES 5 A 94 GLU LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU SEQRES 6 A 94 LEU GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS SEQRES 7 A 94 GLU HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU SEQRES 8 A 94 VAL VAL VAL HET Y A 30 64 ATOM 1 N MET A 17 -24.479 -16.107 -2.298 1.00 55.62 N ATOM 2 CA MET A 17 -24.093 -14.700 -2.197 1.00 57.62 C ATOM 3 C MET A 17 -24.918 -13.873 -3.175 1.00 53.98 C ATOM 4 O MET A 17 -25.418 -14.413 -4.163 1.00 56.49 O ATOM 5 CB MET A 17 -22.599 -14.528 -2.458 1.00 57.93 C ATOM 6 CG MET A 17 -22.111 -15.182 -3.742 1.00 64.56 C ATOM 7 SD MET A 17 -20.320 -15.391 -3.741 1.00 96.43 S ATOM 8 CE MET A 17 -19.795 -13.934 -2.838 1.00 49.41 C ATOM 9 HA MET A 17 -24.292 -14.348 -1.185 1.00 0.00 H ATOM 10 HB2 MET A 17 -22.382 -13.461 -2.513 1.00 0.00 H ATOM 11 HB3 MET A 17 -22.053 -14.966 -1.622 1.00 0.00 H ATOM 12 HG2 MET A 17 -22.394 -14.556 -4.588 1.00 0.00 H ATOM 13 HG3 MET A 17 -22.582 -16.160 -3.842 1.00 0.00 H ATOM 14 HE1 MET A 17 -20.126 -13.041 -3.368 1.00 0.00 H ATOM 15 HE2 MET A 17 -20.233 -13.949 -1.840 1.00 0.00 H ATOM 16 HE3 MET A 17 -18.708 -13.929 -2.759 1.00 0.00 H ATOM 17 HN3 MET A 17 -24.307 -16.444 -3.267 1.00 0.00 H ATOM 18 HN2 MET A 17 -25.489 -16.205 -2.069 1.00 0.00 H ATOM 19 HN1 MET A 17 -23.914 -16.669 -1.629 1.00 0.00 H ATOM 20 N GLN A 18 -25.058 -12.574 -2.905 1.00 42.72 N ATOM 21 CA GLN A 18 -25.990 -11.735 -3.666 1.00 41.48 C ATOM 22 C GLN A 18 -25.627 -11.611 -5.144 1.00 38.60 C ATOM 23 O GLN A 18 -26.494 -11.688 -6.008 1.00 39.82 O ATOM 24 CB GLN A 18 -26.089 -10.339 -3.060 1.00 35.72 C ATOM 25 CG GLN A 18 -26.825 -10.299 -1.727 1.00 41.44 C ATOM 26 CD GLN A 18 -26.845 -8.906 -1.133 1.00 40.13 C ATOM 27 OE1 GLN A 18 -27.135 -7.929 -1.823 1.00 40.19 O ATOM 28 NE2 GLN A 18 -26.523 -8.806 0.155 1.00 41.20 N ATOM 29 HA GLN A 18 -26.953 -12.241 -3.604 1.00 0.00 H ATOM 30 HB2 GLN A 18 -25.079 -9.958 -2.907 1.00 0.00 H ATOM 31 HB3 GLN A 18 -26.616 -9.695 -3.764 1.00 0.00 H ATOM 32 HG2 GLN A 18 -27.852 -10.631 -1.881 1.00 0.00 H ATOM 33 HG3 GLN A 18 -26.327 -10.973 -1.029 1.00 0.00 H ATOM 34 HE22 GLN A 18 -26.285 -9.660 0.699 1.00 0.00 H ATOM 35 HE21 GLN A 18 -26.510 -7.874 0.617 1.00 0.00 H ATOM 36 H GLN A 18 -24.496 -12.148 -2.141 1.00 0.00 H ATOM 37 N ILE A 19 -24.345 -11.396 -5.408 1.00 37.85 N ATOM 38 CA ILE A 19 -23.840 -11.227 -6.769 1.00 34.67 C ATOM 39 C ILE A 19 -22.913 -12.399 -7.038 1.00 37.65 C ATOM 40 O ILE A 19 -22.146 -12.777 -6.156 1.00 39.56 O ATOM 41 CB ILE A 19 -23.059 -9.913 -6.856 1.00 33.04 C ATOM 42 CG1 ILE A 19 -23.977 -8.742 -6.485 1.00 31.72 C ATOM 43 CG2 ILE A 19 -22.394 -9.740 -8.230 1.00 31.98 C ATOM 44 CD1 ILE A 19 -23.337 -7.387 -6.677 1.00 29.44 C ATOM 45 HA ILE A 19 -24.650 -11.196 -7.498 1.00 0.00 H ATOM 46 HB ILE A 19 -22.241 -9.935 -6.135 1.00 0.00 H ATOM 47 HG12 ILE A 19 -24.870 -8.793 -7.108 1.00 0.00 H ATOM 48 HG13 ILE A 19 -24.260 -8.844 -5.437 1.00 0.00 H ATOM 49 HD11 ILE A 19 -22.447 -7.315 -6.051 1.00 0.00 H ATOM 50 HD12 ILE A 19 -23.058 -7.263 -7.723 1.00 0.00 H ATOM 51 HD13 ILE A 19 -24.046 -6.609 -6.394 1.00 0.00 H ATOM 52 HG21 ILE A 19 -21.702 -10.564 -8.404 1.00 0.00 H ATOM 53 HG22 ILE A 19 -23.160 -9.737 -9.005 1.00 0.00 H ATOM 54 HG23 ILE A 19 -21.849 -8.796 -8.252 1.00 0.00 H ATOM 55 H ILE A 19 -23.673 -11.346 -4.616 1.00 0.00 H ATOM 56 N PRO A 20 -22.990 -13.008 -8.238 1.00 33.36 N ATOM 57 CA PRO A 20 -22.201 -14.230 -8.414 1.00 34.83 C ATOM 58 C PRO A 20 -20.718 -13.946 -8.301 1.00 35.87 C ATOM 59 O PRO A 20 -20.264 -12.850 -8.638 1.00 34.00 O ATOM 60 CB PRO A 20 -22.591 -14.730 -9.824 1.00 39.86 C ATOM 61 CG PRO A 20 -23.243 -13.567 -10.490 1.00 42.33 C ATOM 62 CD PRO A 20 -23.820 -12.689 -9.409 1.00 36.00 C ATOM 63 HA PRO A 20 -22.403 -14.977 -7.646 1.00 0.00 H ATOM 64 HD3 PRO A 20 -23.734 -11.635 -9.674 1.00 0.00 H ATOM 65 HD2 PRO A 20 -24.866 -12.932 -9.225 1.00 0.00 H ATOM 66 HG3 PRO A 20 -24.037 -13.914 -11.151 1.00 0.00 H ATOM 67 HG2 PRO A 20 -22.507 -13.009 -11.069 1.00 0.00 H ATOM 68 HB2 PRO A 20 -21.705 -15.039 -10.378 1.00 0.00 H ATOM 69 HB3 PRO A 20 -23.285 -15.568 -9.754 1.00 0.00 H ATOM 70 N ALA A 21 -19.973 -14.921 -7.785 1.00 42.58 N ATOM 71 CA ALA A 21 -18.555 -14.733 -7.479 1.00 42.15 C ATOM 72 C ALA A 21 -17.720 -14.399 -8.720 1.00 43.27 C ATOM 73 O ALA A 21 -16.710 -13.694 -8.629 1.00 37.89 O ATOM 74 CB ALA A 21 -18.005 -15.983 -6.791 1.00 48.77 C ATOM 75 HA ALA A 21 -18.479 -13.876 -6.809 1.00 0.00 H ATOM 76 HB1 ALA A 21 -18.554 -16.159 -5.866 1.00 0.00 H ATOM 77 HB2 ALA A 21 -18.121 -16.841 -7.453 1.00 0.00 H ATOM 78 HB3 ALA A 21 -16.949 -15.837 -6.566 1.00 0.00 H ATOM 79 H ALA A 21 -20.412 -15.844 -7.594 1.00 0.00 H ATOM 80 N SER A 22 -18.151 -14.899 -9.875 1.00 41.75 N ATOM 81 CA SER A 22 -17.422 -14.669 -11.115 1.00 41.51 C ATOM 82 C SER A 22 -17.301 -13.180 -11.406 1.00 40.66 C ATOM 83 O SER A 22 -16.345 -12.753 -12.038 1.00 42.86 O ATOM 84 CB SER A 22 -18.074 -15.402 -12.285 1.00 45.32 C ATOM 85 OG SER A 22 -19.377 -14.907 -12.538 1.00 47.29 O ATOM 86 HA SER A 22 -16.417 -15.072 -10.989 1.00 0.00 H ATOM 87 HB2 SER A 22 -18.137 -16.464 -12.049 1.00 0.00 H ATOM 88 HB3 SER A 22 -17.462 -15.265 -13.176 1.00 0.00 H ATOM 89 HG SER A 22 -19.774 -15.400 -13.300 1.00 0.00 H ATOM 90 H SER A 22 -19.024 -15.464 -9.893 1.00 0.00 H ATOM 91 N GLU A 23 -18.243 -12.384 -10.905 1.00 33.17 N ATOM 92 CA GLU A 23 -18.186 -10.936 -11.095 1.00 33.41 C ATOM 93 C GLU A 23 -16.985 -10.283 -10.430 1.00 41.12 C ATOM 94 O GLU A 23 -16.561 -9.207 -10.835 1.00 45.30 O ATOM 95 CB GLU A 23 -19.452 -10.247 -10.576 1.00 38.11 C ATOM 96 CG GLU A 23 -20.655 -10.445 -11.459 1.00 34.07 C ATOM 97 CD GLU A 23 -20.546 -9.752 -12.815 1.00 41.97 C ATOM 98 OE1 GLU A 23 -20.825 -10.420 -13.821 1.00 44.01 O ATOM 99 OE2 GLU A 23 -20.214 -8.548 -12.884 1.00 42.34 O ATOM 100 HA GLU A 23 -18.096 -10.803 -12.173 1.00 0.00 H ATOM 101 HB2 GLU A 23 -19.681 -10.646 -9.588 1.00 0.00 H ATOM 102 HB3 GLU A 23 -19.255 -9.178 -10.498 1.00 0.00 H ATOM 103 HG2 GLU A 23 -20.785 -11.514 -11.629 1.00 0.00 H ATOM 104 HG3 GLU A 23 -21.530 -10.052 -10.941 1.00 0.00 H ATOM 105 H GLU A 23 -19.032 -12.799 -10.370 1.00 0.00 H ATOM 106 N GLN A 24 -16.442 -10.912 -9.398 1.00 38.16 N ATOM 107 CA GLN A 24 -15.342 -10.292 -8.686 1.00 36.39 C ATOM 108 C GLN A 24 -14.040 -10.421 -9.457 1.00 37.19 C ATOM 109 O GLN A 24 -13.064 -9.737 -9.169 1.00 36.88 O ATOM 110 CB GLN A 24 -15.215 -10.885 -7.289 1.00 38.63 C ATOM 111 CG GLN A 24 -16.390 -10.507 -6.416 1.00 41.77 C ATOM 112 CD GLN A 24 -16.126 -10.787 -4.966 1.00 46.16 C ATOM 113 OE1 GLN A 24 -14.996 -10.661 -4.501 1.00 48.99 O ATOM 114 NE2 GLN A 24 -17.162 -11.188 -4.242 1.00 49.70 N ATOM 115 HA GLN A 24 -15.557 -9.228 -8.590 1.00 0.00 H ATOM 116 HB2 GLN A 24 -15.167 -11.971 -7.368 1.00 0.00 H ATOM 117 HB3 GLN A 24 -14.299 -10.515 -6.829 1.00 0.00 H ATOM 118 HG2 GLN A 24 -16.592 -9.443 -6.538 1.00 0.00 H ATOM 119 HG3 GLN A 24 -17.262 -11.079 -6.732 1.00 0.00 H ATOM 120 HE22 GLN A 24 -18.100 -11.279 -4.682 1.00 0.00 H ATOM 121 HE21 GLN A 24 -17.037 -11.411 -3.234 1.00 0.00 H ATOM 122 H GLN A 24 -16.802 -11.842 -9.102 1.00 0.00 H ATOM 123 N GLU A 25 -14.036 -11.283 -10.458 1.00 34.30 N ATOM 124 CA GLU A 25 -12.828 -11.525 -11.225 1.00 40.05 C ATOM 125 C GLU A 25 -12.658 -10.541 -12.383 1.00 42.40 C ATOM 126 O GLU A 25 -11.613 -10.503 -13.004 1.00 43.73 O ATOM 127 CB GLU A 25 -12.823 -12.968 -11.735 1.00 51.16 C ATOM 128 CG GLU A 25 -12.848 -13.994 -10.616 1.00 56.97 C ATOM 129 CD GLU A 25 -11.687 -13.815 -9.652 1.00 69.40 C ATOM 130 OE1 GLU A 25 -10.533 -13.699 -10.127 1.00 75.99 O ATOM 131 OE2 GLU A 25 -11.925 -13.767 -8.423 1.00 72.16 O ATOM 132 HA GLU A 25 -11.979 -11.368 -10.560 1.00 0.00 H ATOM 133 HB2 GLU A 25 -13.701 -13.118 -12.363 1.00 0.00 H ATOM 134 HB3 GLU A 25 -11.922 -13.123 -12.329 1.00 0.00 H ATOM 135 HG2 GLU A 25 -13.783 -13.891 -10.065 1.00 0.00 H ATOM 136 HG3 GLU A 25 -12.793 -14.992 -11.052 1.00 0.00 H ATOM 137 H GLU A 25 -14.909 -11.794 -10.699 1.00 0.00 H ATOM 138 N THR A 26 -13.680 -9.741 -12.666 1.00 43.44 N ATOM 139 CA THR A 26 -13.602 -8.798 -13.776 1.00 39.27 C ATOM 140 C THR A 26 -12.492 -7.789 -13.555 1.00 39.80 C ATOM 141 O THR A 26 -12.391 -7.188 -12.489 1.00 37.69 O ATOM 142 CB THR A 26 -14.929 -8.051 -13.981 1.00 41.09 C ATOM 143 OG1 THR A 26 -15.947 -9.003 -14.295 1.00 45.29 O ATOM 144 CG2 THR A 26 -14.823 -7.041 -15.130 1.00 46.67 C ATOM 145 HA THR A 26 -13.388 -9.382 -14.671 1.00 0.00 H ATOM 146 HB THR A 26 -15.170 -7.510 -13.066 1.00 0.00 H ATOM 147 HG1 THR A 26 -16.807 -8.532 -14.429 1.00 0.00 H ATOM 148 HG23 THR A 26 -14.048 -6.310 -14.899 1.00 0.00 H ATOM 149 HG21 THR A 26 -14.567 -7.565 -16.051 1.00 0.00 H ATOM 150 HG22 THR A 26 -15.779 -6.532 -15.254 1.00 0.00 H ATOM 151 H THR A 26 -14.545 -9.788 -12.090 1.00 0.00 H ATOM 152 N LEU A 27 -11.651 -7.638 -14.571 1.00 34.76 N ATOM 153 CA LEU A 27 -10.560 -6.680 -14.582 1.00 38.00 C ATOM 154 C LEU A 27 -11.097 -5.288 -14.918 1.00 44.32 C ATOM 155 O LEU A 27 -11.784 -5.113 -15.930 1.00 49.68 O ATOM 156 CB LEU A 27 -9.563 -7.106 -15.654 1.00 46.46 C ATOM 157 CG LEU A 27 -8.082 -7.032 -15.331 1.00 54.15 C ATOM 158 CD1 LEU A 27 -7.807 -7.653 -13.977 1.00 55.71 C ATOM 159 CD2 LEU A 27 -7.305 -7.759 -16.426 1.00 57.25 C ATOM 160 HA LEU A 27 -10.080 -6.649 -13.604 1.00 0.00 H ATOM 161 HB2 LEU A 27 -9.786 -8.142 -15.909 1.00 0.00 H ATOM 162 HB3 LEU A 27 -9.735 -6.473 -16.525 1.00 0.00 H ATOM 163 HG LEU A 27 -7.764 -5.990 -15.291 1.00 0.00 H ATOM 164 HD21 LEU A 27 -7.624 -8.800 -16.466 1.00 0.00 H ATOM 165 HD22 LEU A 27 -7.499 -7.281 -17.386 1.00 0.00 H ATOM 166 HD23 LEU A 27 -6.239 -7.713 -16.205 1.00 0.00 H ATOM 167 HD11 LEU A 27 -8.366 -7.115 -13.212 1.00 0.00 H ATOM 168 HD12 LEU A 27 -8.117 -8.698 -13.988 1.00 0.00 H ATOM 169 HD13 LEU A 27 -6.740 -7.592 -13.760 1.00 0.00 H ATOM 170 H LEU A 27 -11.781 -8.241 -15.408 1.00 0.00 H ATOM 171 N VAL A 28 -10.791 -4.300 -14.079 1.00 39.54 N ATOM 172 CA VAL A 28 -11.310 -2.945 -14.263 1.00 39.55 C ATOM 173 C VAL A 28 -10.251 -1.850 -14.097 1.00 40.00 C ATOM 174 O VAL A 28 -9.225 -2.047 -13.445 1.00 41.42 O ATOM 175 CB VAL A 28 -12.505 -2.656 -13.321 1.00 37.49 C ATOM 176 CG1 VAL A 28 -13.613 -3.665 -13.560 1.00 39.91 C ATOM 177 CG2 VAL A 28 -12.074 -2.705 -11.869 1.00 39.09 C ATOM 178 HA VAL A 28 -11.647 -2.914 -15.299 1.00 0.00 H ATOM 179 HB VAL A 28 -12.874 -1.654 -13.539 1.00 0.00 H ATOM 180 HG11 VAL A 28 -13.948 -3.597 -14.595 1.00 0.00 H ATOM 181 HG12 VAL A 28 -13.237 -4.669 -13.364 1.00 0.00 H ATOM 182 HG13 VAL A 28 -14.447 -3.451 -12.892 1.00 0.00 H ATOM 183 HG21 VAL A 28 -11.680 -3.695 -11.642 1.00 0.00 H ATOM 184 HG22 VAL A 28 -11.301 -1.956 -11.695 1.00 0.00 H ATOM 185 HG23 VAL A 28 -12.932 -2.499 -11.229 1.00 0.00 H ATOM 186 H VAL A 28 -10.166 -4.497 -13.271 1.00 0.00 H ATOM 187 N ARG A 29 -10.522 -0.686 -14.680 1.00 38.09 N ATOM 188 CA ARG A 29 -9.595 0.438 -14.615 1.00 41.13 C ATOM 189 C ARG A 29 -10.253 1.635 -13.927 1.00 42.11 C ATOM 190 O ARG A 29 -11.071 2.323 -14.537 1.00 42.95 O ATOM 191 CB ARG A 29 -9.146 0.813 -16.036 1.00 50.21 C ATOM 192 CG ARG A 29 -8.150 1.944 -16.111 1.00 53.93 C ATOM 193 CD ARG A 29 -7.770 2.255 -17.576 1.00 60.42 C ATOM 194 NE ARG A 29 -7.105 1.124 -18.218 1.00 61.25 N ATOM 195 CZ ARG A 29 -5.808 0.859 -18.093 1.00 65.33 C ATOM 196 NH1 ARG A 29 -5.035 1.650 -17.354 1.00 61.82 N ATOM 197 NH2 ARG A 29 -5.284 -0.193 -18.703 1.00 72.38 N ATOM 198 HA ARG A 29 -8.722 0.149 -14.029 1.00 0.00 H ATOM 199 HB2 ARG A 29 -8.693 -0.068 -16.492 1.00 0.00 H ATOM 200 HB3 ARG A 29 -10.030 1.102 -16.605 1.00 0.00 H ATOM 201 HG2 ARG A 29 -8.588 2.835 -15.660 1.00 0.00 H ATOM 202 HG3 ARG A 29 -7.251 1.664 -15.562 1.00 0.00 H ATOM 203 HD2 ARG A 29 -7.099 3.114 -17.592 1.00 0.00 H ATOM 204 HD3 ARG A 29 -8.676 2.493 -18.132 1.00 0.00 H ATOM 205 HE ARG A 29 -7.680 0.489 -18.808 1.00 0.00 H ATOM 206 HH12 ARG A 29 -4.021 1.442 -17.257 1.00 0.00 H ATOM 207 HH11 ARG A 29 -5.445 2.476 -16.874 1.00 0.00 H ATOM 208 HH22 ARG A 29 -4.269 -0.399 -18.605 1.00 0.00 H ATOM 209 HH21 ARG A 29 -5.887 -0.813 -19.281 1.00 0.00 H ATOM 210 H ARG A 29 -11.418 -0.574 -15.196 1.00 0.00 H ATOM 211 N PRO A 30 -9.907 1.887 -12.649 1.00 40.82 N ATOM 212 CA PRO A 30 -10.533 2.994 -11.912 1.00 36.91 C ATOM 213 C PRO A 30 -10.293 4.356 -12.532 1.00 39.20 C ATOM 214 O PRO A 30 -9.179 4.661 -12.963 1.00 41.04 O ATOM 215 CB PRO A 30 -9.843 2.934 -10.550 1.00 35.69 C ATOM 216 CG PRO A 30 -9.501 1.493 -10.386 1.00 39.69 C ATOM 217 CD PRO A 30 -9.056 1.069 -11.767 1.00 37.72 C ATOM 218 HA PRO A 30 -11.617 2.883 -11.892 1.00 0.00 H ATOM 219 HD3 PRO A 30 -8.000 1.289 -11.925 1.00 0.00 H ATOM 220 HD2 PRO A 30 -9.232 0.005 -11.927 1.00 0.00 H ATOM 221 HG3 PRO A 30 -10.372 0.921 -10.065 1.00 0.00 H ATOM 222 HG2 PRO A 30 -8.697 1.364 -9.662 1.00 0.00 H ATOM 223 HB2 PRO A 30 -8.944 3.550 -10.543 1.00 0.00 H ATOM 224 HB3 PRO A 30 -10.515 3.266 -9.759 1.00 0.00 H ATOM 225 N LYS A 31 -11.335 5.179 -12.563 1.00 39.98 N ATOM 226 CA LYS A 31 -11.194 6.569 -13.009 1.00 43.63 C ATOM 227 C LYS A 31 -10.301 7.340 -12.025 1.00 41.36 C ATOM 228 O LYS A 31 -10.026 6.848 -10.923 1.00 42.50 O ATOM 229 CB LYS A 31 -12.579 7.211 -13.150 1.00 44.28 C ATOM 230 CG LYS A 31 -13.392 6.657 -14.315 1.00 48.95 C ATOM 231 CD LYS A 31 -14.827 7.170 -14.281 1.00 50.49 C ATOM 232 CE LYS A 31 -15.619 6.709 -15.484 1.00 56.11 C ATOM 233 NZ LYS A 31 -16.998 7.268 -15.478 1.00 61.01 N ATOM 234 HA LYS A 31 -10.714 6.600 -13.987 1.00 0.00 H ATOM 235 HB2 LYS A 31 -13.135 7.038 -12.228 1.00 0.00 H ATOM 236 HB3 LYS A 31 -12.449 8.283 -13.299 1.00 0.00 H ATOM 237 HG2 LYS A 31 -12.927 6.964 -15.251 1.00 0.00 H ATOM 238 HG3 LYS A 31 -13.402 5.569 -14.256 1.00 0.00 H ATOM 239 HD2 LYS A 31 -15.312 6.802 -13.377 1.00 0.00 H ATOM 240 HD3 LYS A 31 -14.812 8.260 -14.265 1.00 0.00 H ATOM 241 HE2 LYS A 31 -15.678 5.621 -15.473 1.00 0.00 H ATOM 242 HE3 LYS A 31 -15.109 7.035 -16.390 1.00 0.00 H ATOM 243 HZ1 LYS A 31 -17.493 6.956 -14.618 1.00 0.00 H ATOM 244 HZ2 LYS A 31 -16.950 8.307 -15.494 1.00 0.00 H ATOM 245 HZ3 LYS A 31 -17.511 6.931 -16.317 1.00 0.00 H ATOM 246 H LYS A 31 -12.269 4.831 -12.265 1.00 0.00 H ATOM 247 N PRO A 32 -9.819 8.528 -12.421 1.00 46.81 N ATOM 248 CA PRO A 32 -8.819 9.228 -11.603 1.00 48.18 C ATOM 249 C PRO A 32 -9.136 9.440 -10.111 1.00 48.96 C ATOM 250 O PRO A 32 -8.256 9.186 -9.294 1.00 49.36 O ATOM 251 CB PRO A 32 -8.662 10.551 -12.336 1.00 50.89 C ATOM 252 CG PRO A 32 -8.832 10.162 -13.763 1.00 51.32 C ATOM 253 CD PRO A 32 -9.940 9.148 -13.759 1.00 41.93 C ATOM 254 HA PRO A 32 -7.919 8.618 -11.523 1.00 0.00 H ATOM 255 HD3 PRO A 32 -10.911 9.628 -13.883 1.00 0.00 H ATOM 256 HD2 PRO A 32 -9.798 8.409 -14.548 1.00 0.00 H ATOM 257 HG3 PRO A 32 -7.913 9.725 -14.153 1.00 0.00 H ATOM 258 HG2 PRO A 32 -9.106 11.027 -14.366 1.00 0.00 H ATOM 259 HB2 PRO A 32 -9.428 11.263 -12.029 1.00 0.00 H ATOM 260 HB3 PRO A 32 -7.676 10.982 -12.161 1.00 0.00 H ATOM 261 N LEU A 33 -10.338 9.875 -9.753 1.00 41.10 N ATOM 262 CA LEU A 33 -10.631 10.117 -8.341 1.00 43.34 C ATOM 263 C LEU A 33 -10.618 8.839 -7.533 1.00 42.11 C ATOM 264 O LEU A 33 -10.041 8.796 -6.447 1.00 41.84 O ATOM 265 CB LEU A 33 -11.950 10.872 -8.153 1.00 43.97 C ATOM 266 CG LEU A 33 -11.830 12.356 -8.525 1.00 56.22 C ATOM 267 CD1 LEU A 33 -13.148 13.102 -8.373 1.00 56.10 C ATOM 268 CD2 LEU A 33 -10.758 13.008 -7.676 1.00 62.00 C ATOM 269 HA LEU A 33 -9.830 10.752 -7.962 1.00 0.00 H ATOM 270 HB2 LEU A 33 -12.710 10.412 -8.784 1.00 0.00 H ATOM 271 HB3 LEU A 33 -12.252 10.796 -7.109 1.00 0.00 H ATOM 272 HG LEU A 33 -11.554 12.410 -9.578 1.00 0.00 H ATOM 273 HD21 LEU A 33 -11.026 12.918 -6.623 1.00 0.00 H ATOM 274 HD22 LEU A 33 -9.804 12.511 -7.853 1.00 0.00 H ATOM 275 HD23 LEU A 33 -10.676 14.062 -7.943 1.00 0.00 H ATOM 276 HD11 LEU A 33 -13.897 12.651 -9.024 1.00 0.00 H ATOM 277 HD12 LEU A 33 -13.482 13.040 -7.337 1.00 0.00 H ATOM 278 HD13 LEU A 33 -13.006 14.147 -8.649 1.00 0.00 H ATOM 279 H LEU A 33 -11.068 10.043 -10.474 1.00 0.00 H ATOM 280 N LEU A 34 -11.243 7.789 -8.060 1.00 40.04 N ATOM 281 CA LEU A 34 -11.255 6.509 -7.371 1.00 34.76 C ATOM 282 C LEU A 34 -9.859 5.906 -7.271 1.00 37.62 C ATOM 283 O LEU A 34 -9.495 5.329 -6.241 1.00 35.91 O ATOM 284 CB LEU A 34 -12.187 5.517 -8.069 1.00 34.51 C ATOM 285 CG LEU A 34 -12.096 4.111 -7.462 1.00 32.49 C ATOM 286 CD1 LEU A 34 -12.481 4.130 -5.988 1.00 35.14 C ATOM 287 CD2 LEU A 34 -12.988 3.134 -8.232 1.00 33.67 C ATOM 288 HA LEU A 34 -11.622 6.700 -6.363 1.00 0.00 H ATOM 289 HB2 LEU A 34 -13.213 5.874 -7.977 1.00 0.00 H ATOM 290 HB3 LEU A 34 -11.916 5.463 -9.123 1.00 0.00 H ATOM 291 HG LEU A 34 -11.062 3.775 -7.541 1.00 0.00 H ATOM 292 HD21 LEU A 34 -14.023 3.474 -8.185 1.00 0.00 H ATOM 293 HD22 LEU A 34 -12.665 3.092 -9.272 1.00 0.00 H ATOM 294 HD23 LEU A 34 -12.909 2.143 -7.786 1.00 0.00 H ATOM 295 HD11 LEU A 34 -11.805 4.791 -5.446 1.00 0.00 H ATOM 296 HD12 LEU A 34 -13.504 4.491 -5.886 1.00 0.00 H ATOM 297 HD13 LEU A 34 -12.408 3.121 -5.582 1.00 0.00 H ATOM 298 H LEU A 34 -11.728 7.885 -8.975 1.00 0.00 H ATOM 299 N LEU A 35 -9.079 6.030 -8.337 1.00 40.43 N ATOM 300 CA LEU A 35 -7.706 5.536 -8.316 1.00 39.84 C ATOM 301 C LEU A 35 -6.903 6.216 -7.217 1.00 42.62 C ATOM 302 O LEU A 35 -6.126 5.563 -6.517 1.00 42.08 O ATOM 303 CB LEU A 35 -7.003 5.770 -9.653 1.00 38.36 C ATOM 304 CG LEU A 35 -5.618 5.117 -9.700 1.00 38.77 C ATOM 305 CD1 LEU A 35 -5.768 3.608 -9.575 1.00 38.28 C ATOM 306 CD2 LEU A 35 -4.866 5.476 -10.971 1.00 44.31 C ATOM 307 HA LEU A 35 -7.759 4.464 -8.126 1.00 0.00 H ATOM 308 HB2 LEU A 35 -7.616 5.351 -10.451 1.00 0.00 H ATOM 309 HB3 LEU A 35 -6.891 6.843 -9.808 1.00 0.00 H ATOM 310 HG LEU A 35 -5.031 5.497 -8.864 1.00 0.00 H ATOM 311 HD21 LEU A 35 -5.435 5.136 -11.836 1.00 0.00 H ATOM 312 HD22 LEU A 35 -4.737 6.557 -11.022 1.00 0.00 H ATOM 313 HD23 LEU A 35 -3.889 4.992 -10.963 1.00 0.00 H ATOM 314 HD11 LEU A 35 -6.252 3.369 -8.628 1.00 0.00 H ATOM 315 HD12 LEU A 35 -6.376 3.235 -10.399 1.00 0.00 H ATOM 316 HD13 LEU A 35 -4.783 3.142 -9.608 1.00 0.00 H ATOM 317 H LEU A 35 -9.450 6.484 -9.196 1.00 0.00 H ATOM 318 N LYS A 36 -7.085 7.532 -7.076 1.00 39.51 N ATOM 319 CA LYS A 36 -6.403 8.276 -6.025 1.00 41.83 C ATOM 320 C LYS A 36 -6.803 7.731 -4.665 1.00 39.91 C ATOM 321 O LYS A 36 -5.962 7.567 -3.779 1.00 45.25 O ATOM 322 CB LYS A 36 -6.726 9.771 -6.093 1.00 48.15 C ATOM 323 CG LYS A 36 -5.834 10.609 -5.177 1.00 51.63 C ATOM 324 CD LYS A 36 -6.100 12.102 -5.295 1.00 57.59 C ATOM 325 CE LYS A 36 -5.142 12.899 -4.403 1.00 64.44 C ATOM 326 NZ LYS A 36 -5.267 14.379 -4.579 1.00 72.19 N ATOM 327 HA LYS A 36 -5.330 8.154 -6.173 1.00 0.00 H ATOM 328 HB2 LYS A 36 -6.590 10.111 -7.120 1.00 0.00 H ATOM 329 HB3 LYS A 36 -7.765 9.917 -5.798 1.00 0.00 H ATOM 330 HG2 LYS A 36 -6.011 10.304 -4.145 1.00 0.00 H ATOM 331 HG3 LYS A 36 -4.793 10.419 -5.437 1.00 0.00 H ATOM 332 HD2 LYS A 36 -5.962 12.409 -6.332 1.00 0.00 H ATOM 333 HD3 LYS A 36 -7.126 12.307 -4.990 1.00 0.00 H ATOM 334 HE2 LYS A 36 -4.120 12.606 -4.643 1.00 0.00 H ATOM 335 HE3 LYS A 36 -5.353 12.655 -3.362 1.00 0.00 H ATOM 336 HZ1 LYS A 36 -5.058 14.628 -5.567 1.00 0.00 H ATOM 337 HZ2 LYS A 36 -6.236 14.674 -4.343 1.00 0.00 H ATOM 338 HZ3 LYS A 36 -4.594 14.860 -3.949 1.00 0.00 H ATOM 339 H LYS A 36 -7.723 8.033 -7.726 1.00 0.00 H ATOM 340 N LEU A 37 -8.088 7.445 -4.508 1.00 35.22 N ATOM 341 CA LEU A 37 -8.589 6.929 -3.237 1.00 36.00 C ATOM 342 C LEU A 37 -7.957 5.577 -2.912 1.00 36.85 C ATOM 343 O LEU A 37 -7.495 5.356 -1.793 1.00 34.93 O ATOM 344 CB LEU A 37 -10.112 6.813 -3.253 1.00 34.84 C ATOM 345 CG LEU A 37 -10.802 6.316 -1.973 1.00 39.95 C ATOM 346 CD1 LEU A 37 -12.167 6.966 -1.829 1.00 45.13 C ATOM 347 CD2 LEU A 37 -10.947 4.807 -1.925 1.00 34.41 C ATOM 348 HA LEU A 37 -8.309 7.638 -2.458 1.00 0.00 H ATOM 349 HB2 LEU A 37 -10.512 7.802 -3.476 1.00 0.00 H ATOM 350 HB3 LEU A 37 -10.378 6.125 -4.055 1.00 0.00 H ATOM 351 HG LEU A 37 -10.159 6.603 -1.141 1.00 0.00 H ATOM 352 HD21 LEU A 37 -11.544 4.473 -2.774 1.00 0.00 H ATOM 353 HD22 LEU A 37 -9.960 4.347 -1.970 1.00 0.00 H ATOM 354 HD23 LEU A 37 -11.441 4.520 -0.997 1.00 0.00 H ATOM 355 HD11 LEU A 37 -12.049 8.048 -1.775 1.00 0.00 H ATOM 356 HD12 LEU A 37 -12.783 6.709 -2.691 1.00 0.00 H ATOM 357 HD13 LEU A 37 -12.645 6.606 -0.918 1.00 0.00 H ATOM 358 H LEU A 37 -8.747 7.590 -5.299 1.00 0.00 H ATOM 359 N LEU A 38 -7.943 4.678 -3.892 1.00 36.03 N ATOM 360 CA LEU A 38 -7.377 3.350 -3.697 1.00 35.87 C ATOM 361 C LEU A 38 -5.914 3.441 -3.311 1.00 36.79 C ATOM 362 O LEU A 38 -5.457 2.763 -2.393 1.00 35.22 O ATOM 363 CB LEU A 38 -7.511 2.521 -4.971 1.00 34.31 C ATOM 364 CG LEU A 38 -8.949 2.230 -5.403 1.00 36.50 C ATOM 365 CD1 LEU A 38 -8.970 1.455 -6.724 1.00 35.61 C ATOM 366 CD2 LEU A 38 -9.714 1.460 -4.309 1.00 30.71 C ATOM 367 HA LEU A 38 -7.929 2.866 -2.891 1.00 0.00 H ATOM 368 HB2 LEU A 38 -7.017 3.060 -5.779 1.00 0.00 H ATOM 369 HB3 LEU A 38 -7.006 1.568 -4.810 1.00 0.00 H ATOM 370 HG LEU A 38 -9.453 3.185 -5.555 1.00 0.00 H ATOM 371 HD21 LEU A 38 -9.211 0.513 -4.113 1.00 0.00 H ATOM 372 HD22 LEU A 38 -9.738 2.056 -3.396 1.00 0.00 H ATOM 373 HD23 LEU A 38 -10.733 1.268 -4.646 1.00 0.00 H ATOM 374 HD11 LEU A 38 -8.481 2.046 -7.498 1.00 0.00 H ATOM 375 HD12 LEU A 38 -8.441 0.510 -6.598 1.00 0.00 H ATOM 376 HD13 LEU A 38 -10.003 1.259 -7.012 1.00 0.00 H ATOM 377 H LEU A 38 -8.345 4.929 -4.818 1.00 0.00 H ATOM 378 N LYS A 39 -5.171 4.288 -4.012 1.00 36.01 N ATOM 379 CA LYS A 39 -3.746 4.389 -3.752 1.00 36.82 C ATOM 380 C LYS A 39 -3.479 4.994 -2.378 1.00 43.01 C ATOM 381 O LYS A 39 -2.445 4.717 -1.773 1.00 42.12 O ATOM 382 CB LYS A 39 -3.040 5.179 -4.856 1.00 40.32 C ATOM 383 CG LYS A 39 -3.082 4.461 -6.197 1.00 44.42 C ATOM 384 CD LYS A 39 -2.021 4.947 -7.142 1.00 49.98 C ATOM 385 CE LYS A 39 -1.983 4.078 -8.385 1.00 54.30 C ATOM 386 NZ LYS A 39 -0.905 4.509 -9.316 1.00 55.27 N ATOM 387 HA LYS A 39 -3.333 3.380 -3.753 1.00 0.00 H ATOM 388 HB2 LYS A 39 -3.528 6.148 -4.961 1.00 0.00 H ATOM 389 HB3 LYS A 39 -1.999 5.328 -4.570 1.00 0.00 H ATOM 390 HG2 LYS A 39 -2.938 3.394 -6.027 1.00 0.00 H ATOM 391 HG3 LYS A 39 -4.059 4.626 -6.652 1.00 0.00 H ATOM 392 HD2 LYS A 39 -2.239 5.976 -7.429 1.00 0.00 H ATOM 393 HD3 LYS A 39 -1.051 4.907 -6.645 1.00 0.00 H ATOM 394 HE2 LYS A 39 -2.943 4.148 -8.897 1.00 0.00 H ATOM 395 HE3 LYS A 39 -1.805 3.044 -8.090 1.00 0.00 H ATOM 396 HZ1 LYS A 39 -1.072 5.494 -9.606 1.00 0.00 H ATOM 397 HZ2 LYS A 39 0.015 4.439 -8.836 1.00 0.00 H ATOM 398 HZ3 LYS A 39 -0.907 3.894 -10.155 1.00 0.00 H ATOM 399 H LYS A 39 -5.609 4.879 -4.747 1.00 0.00 H ATOM 400 N SER A 40 -4.414 5.804 -1.883 1.00 38.22 N ATOM 401 CA SER A 40 -4.229 6.466 -0.591 1.00 40.07 C ATOM 402 C SER A 40 -4.262 5.457 0.551 1.00 39.76 C ATOM 403 O SER A 40 -3.786 5.741 1.644 1.00 39.96 O ATOM 404 CB SER A 40 -5.289 7.546 -0.358 1.00 41.89 C ATOM 405 OG SER A 40 -6.554 6.981 -0.017 1.00 41.25 O ATOM 406 HA SER A 40 -3.249 6.943 -0.613 1.00 0.00 H ATOM 407 HB2 SER A 40 -5.399 8.135 -1.268 1.00 0.00 H ATOM 408 HB3 SER A 40 -4.961 8.194 0.455 1.00 0.00 H ATOM 409 HG SER A 40 -6.862 6.396 -0.754 1.00 0.00 H ATOM 410 H SER A 40 -5.288 5.968 -2.423 1.00 0.00 H ATOM 411 N VAL A 41 -4.824 4.279 0.302 1.00 35.67 N ATOM 412 CA VAL A 41 -4.799 3.217 1.308 1.00 35.22 C ATOM 413 C VAL A 41 -3.834 2.083 0.929 1.00 36.72 C ATOM 414 O VAL A 41 -3.889 0.988 1.490 1.00 39.32 O ATOM 415 CB VAL A 41 -6.219 2.656 1.622 1.00 40.14 C ATOM 416 CG1 VAL A 41 -7.047 3.706 2.346 1.00 44.23 C ATOM 417 CG2 VAL A 41 -6.928 2.166 0.353 1.00 35.15 C ATOM 418 HA VAL A 41 -4.425 3.681 2.221 1.00 0.00 H ATOM 419 HB VAL A 41 -6.106 1.791 2.276 1.00 0.00 H ATOM 420 HG11 VAL A 41 -6.554 3.976 3.280 1.00 0.00 H ATOM 421 HG12 VAL A 41 -7.142 4.590 1.715 1.00 0.00 H ATOM 422 HG13 VAL A 41 -8.037 3.302 2.560 1.00 0.00 H ATOM 423 HG21 VAL A 41 -7.033 2.995 -0.346 1.00 0.00 H ATOM 424 HG22 VAL A 41 -6.339 1.373 -0.108 1.00 0.00 H ATOM 425 HG23 VAL A 41 -7.914 1.783 0.614 1.00 0.00 H ATOM 426 H VAL A 41 -5.285 4.111 -0.615 1.00 0.00 H ATOM 427 N GLY A 42 -2.943 2.353 -0.019 1.00 34.96 N ATOM 428 CA GLY A 42 -1.866 1.428 -0.313 1.00 36.11 C ATOM 429 C GLY A 42 -1.991 0.558 -1.555 1.00 40.22 C ATOM 430 O GLY A 42 -1.162 -0.334 -1.763 1.00 39.38 O ATOM 431 HA3 GLY A 42 -1.769 0.760 0.543 1.00 0.00 H ATOM 432 HA2 GLY A 42 -0.954 2.015 -0.419 1.00 0.00 H ATOM 433 H GLY A 42 -3.019 3.240 -0.557 1.00 0.00 H ATOM 434 N ALA A 43 -3.000 0.797 -2.388 1.00 34.19 N ATOM 435 CA ALA A 43 -3.093 0.073 -3.649 1.00 33.94 C ATOM 436 C ALA A 43 -1.942 0.494 -4.578 1.00 40.08 C ATOM 437 O ALA A 43 -1.479 1.633 -4.526 1.00 39.85 O ATOM 438 CB ALA A 43 -4.451 0.292 -4.310 1.00 30.37 C ATOM 439 HA ALA A 43 -3.002 -0.995 -3.448 1.00 0.00 H ATOM 440 HB1 ALA A 43 -5.239 -0.062 -3.645 1.00 0.00 H ATOM 441 HB2 ALA A 43 -4.591 1.355 -4.507 1.00 0.00 H ATOM 442 HB3 ALA A 43 -4.490 -0.261 -5.249 1.00 0.00 H ATOM 443 H ALA A 43 -3.723 1.501 -2.139 1.00 0.00 H ATOM 444 N GLN A 44 -1.479 -0.427 -5.414 1.00 40.52 N ATOM 445 CA GLN A 44 -0.218 -0.241 -6.130 1.00 40.78 C ATOM 446 C GLN A 44 -0.308 -0.228 -7.656 1.00 45.33 C ATOM 447 O GLN A 44 0.705 -0.024 -8.316 1.00 47.51 O ATOM 448 CB GLN A 44 0.774 -1.337 -5.729 1.00 46.07 C ATOM 449 CG GLN A 44 1.019 -1.461 -4.242 1.00 50.12 C ATOM 450 CD GLN A 44 1.877 -0.352 -3.700 1.00 58.11 C ATOM 451 OE1 GLN A 44 2.908 -0.010 -4.277 1.00 70.57 O ATOM 452 NE2 GLN A 44 1.454 0.231 -2.589 1.00 52.17 N ATOM 453 HA GLN A 44 0.109 0.756 -5.835 1.00 0.00 H ATOM 454 HB2 GLN A 44 0.389 -2.291 -6.090 1.00 0.00 H ATOM 455 HB3 GLN A 44 1.727 -1.125 -6.213 1.00 0.00 H ATOM 456 HG2 GLN A 44 0.058 -1.442 -3.727 1.00 0.00 H ATOM 457 HG3 GLN A 44 1.515 -2.412 -4.048 1.00 0.00 H ATOM 458 HE22 GLN A 44 0.576 -0.091 -2.135 1.00 0.00 H ATOM 459 HE21 GLN A 44 2.000 1.011 -2.171 1.00 0.00 H ATOM 460 H GLN A 44 -2.025 -1.300 -5.563 1.00 0.00 H ATOM 461 N LYS A 45 -1.494 -0.434 -8.218 1.00 42.24 N ATOM 462 CA LYS A 45 -1.625 -0.671 -9.661 1.00 46.21 C ATOM 463 C LYS A 45 -2.566 0.315 -10.328 1.00 44.82 C ATOM 464 O LYS A 45 -3.183 1.153 -9.668 1.00 41.69 O ATOM 465 CB LYS A 45 -2.138 -2.092 -9.925 1.00 49.12 C ATOM 466 CG LYS A 45 -1.525 -3.148 -9.028 1.00 51.63 C ATOM 467 CD LYS A 45 -1.997 -4.558 -9.367 1.00 45.89 C ATOM 468 CE LYS A 45 -3.420 -4.806 -8.888 1.00 43.87 C ATOM 469 NZ LYS A 45 -3.797 -6.229 -9.113 1.00 49.82 N ATOM 470 HA LYS A 45 -0.631 -0.538 -10.087 1.00 0.00 H ATOM 471 HB2 LYS A 45 -3.218 -2.100 -9.775 1.00 0.00 H ATOM 472 HB3 LYS A 45 -1.914 -2.350 -10.960 1.00 0.00 H ATOM 473 HG2 LYS A 45 -0.441 -3.109 -9.134 1.00 0.00 H ATOM 474 HG3 LYS A 45 -1.796 -2.928 -7.995 1.00 0.00 H ATOM 475 HD2 LYS A 45 -1.959 -4.693 -10.448 1.00 0.00 H ATOM 476 HD3 LYS A 45 -1.333 -5.278 -8.889 1.00 0.00 H ATOM 477 HE2 LYS A 45 -4.104 -4.160 -9.439 1.00 0.00 H ATOM 478 HE3 LYS A 45 -3.487 -4.579 -7.824 1.00 0.00 H ATOM 479 HZ1 LYS A 45 -3.736 -6.446 -10.128 1.00 0.00 H ATOM 480 HZ2 LYS A 45 -3.147 -6.846 -8.586 1.00 0.00 H ATOM 481 HZ3 LYS A 45 -4.770 -6.385 -8.782 1.00 0.00 H ATOM 482 H LYS A 45 -2.347 -0.427 -7.624 1.00 0.00 H ATOM 483 N ASP A 46 -2.678 0.207 -11.647 1.00 45.38 N ATOM 484 CA ASP A 46 -3.615 1.025 -12.400 1.00 44.67 C ATOM 485 C ASP A 46 -4.874 0.246 -12.731 1.00 43.49 C ATOM 486 O ASP A 46 -5.926 0.831 -12.976 1.00 44.81 O ATOM 487 CB ASP A 46 -2.985 1.530 -13.696 1.00 50.14 C ATOM 488 CG ASP A 46 -1.934 2.599 -13.460 1.00 61.60 C ATOM 489 OD1 ASP A 46 -2.017 3.306 -12.431 1.00 59.57 O ATOM 490 OD2 ASP A 46 -1.023 2.729 -14.307 1.00 72.53 O ATOM 491 HA ASP A 46 -3.875 1.877 -11.772 1.00 0.00 H ATOM 492 HB2 ASP A 46 -2.518 0.689 -14.208 1.00 0.00 H ATOM 493 HB3 ASP A 46 -3.771 1.946 -14.327 1.00 0.00 H ATOM 494 H ASP A 46 -2.082 -0.479 -12.153 1.00 0.00 H ATOM 495 N THR A 47 -4.766 -1.075 -12.771 1.00 41.71 N ATOM 496 CA THR A 47 -5.934 -1.906 -13.030 1.00 42.05 C ATOM 497 C THR A 47 -6.062 -2.965 -11.944 1.00 43.57 C ATOM 498 O THR A 47 -5.061 -3.417 -11.387 1.00 45.12 O ATOM 499 CB THR A 47 -5.862 -2.602 -14.404 1.00 45.42 C ATOM 500 OG1 THR A 47 -4.806 -3.560 -14.389 1.00 43.47 O ATOM 501 CG2 THR A 47 -5.592 -1.594 -15.520 1.00 48.82 C ATOM 502 HA THR A 47 -6.804 -1.250 -13.030 1.00 0.00 H ATOM 503 HB THR A 47 -6.820 -3.086 -14.592 1.00 0.00 H ATOM 504 HG1 THR A 47 -4.982 -4.232 -13.684 1.00 0.00 H ATOM 505 HG23 THR A 47 -6.393 -0.855 -15.542 1.00 0.00 H ATOM 506 HG21 THR A 47 -4.641 -1.095 -15.335 1.00 0.00 H ATOM 507 HG22 THR A 47 -5.550 -2.115 -16.476 1.00 0.00 H ATOM 508 H THR A 47 -3.840 -1.522 -12.616 1.00 0.00 H ATOM 509 N TYR A 48 -7.300 -3.361 -11.661 1.00 37.83 N ATOM 510 CA TYR A 48 -7.616 -4.248 -10.534 1.00 35.93 C ATOM 511 C TYR A 48 -8.690 -5.234 -10.930 1.00 37.85 C ATOM 512 O TYR A 48 -9.435 -4.993 -11.878 1.00 41.59 O ATOM 513 CB TYR A 48 -8.159 -3.421 -9.353 1.00 31.03 C ATOM 514 CG TYR A 48 -7.158 -2.447 -8.823 1.00 32.67 C ATOM 515 CD1 TYR A 48 -7.044 -1.174 -9.366 1.00 37.33 C ATOM 516 CD2 TYR A 48 -6.283 -2.811 -7.812 1.00 37.21 C ATOM 517 CE1 TYR A 48 -6.101 -0.283 -8.898 1.00 35.36 C ATOM 518 CE2 TYR A 48 -5.333 -1.930 -7.340 1.00 36.45 C ATOM 519 CZ TYR A 48 -5.242 -0.668 -7.890 1.00 36.54 C ATOM 520 OH TYR A 48 -4.295 0.222 -7.424 1.00 40.85 O ATOM 521 HA TYR A 48 -6.704 -4.773 -10.251 1.00 0.00 H ATOM 522 HB3 TYR A 48 -8.442 -4.102 -8.551 1.00 0.00 H ATOM 523 HB2 TYR A 48 -9.038 -2.871 -9.687 1.00 0.00 H ATOM 524 HD2 TYR A 48 -6.347 -3.811 -7.383 1.00 0.00 H ATOM 525 HE2 TYR A 48 -4.658 -2.229 -6.538 1.00 0.00 H ATOM 526 HE1 TYR A 48 -6.035 0.719 -9.322 1.00 0.00 H ATOM 527 HD1 TYR A 48 -7.710 -0.874 -10.175 1.00 0.00 H ATOM 528 HH TYR A 48 -4.368 1.073 -7.925 1.00 0.00 H ATOM 529 H TYR A 48 -8.079 -3.028 -12.265 1.00 0.00 H ATOM 530 N THR A 49 -8.797 -6.339 -10.200 1.00 34.80 N ATOM 531 CA THR A 49 -10.030 -7.109 -10.260 1.00 31.89 C ATOM 532 C THR A 49 -11.045 -6.418 -9.355 1.00 29.79 C ATOM 533 O THR A 49 -10.688 -5.617 -8.486 1.00 30.24 O ATOM 534 CB THR A 49 -9.837 -8.548 -9.780 1.00 36.25 C ATOM 535 OG1 THR A 49 -9.324 -8.516 -8.442 1.00 36.38 O ATOM 536 CG2 THR A 49 -8.860 -9.282 -10.678 1.00 35.70 C ATOM 537 HA THR A 49 -10.367 -7.154 -11.296 1.00 0.00 H ATOM 538 HB THR A 49 -10.793 -9.071 -9.810 1.00 0.00 H ATOM 539 HG1 THR A 49 -8.458 -8.037 -8.433 1.00 0.00 H ATOM 540 HG23 THR A 49 -9.251 -9.306 -11.695 1.00 0.00 H ATOM 541 HG21 THR A 49 -7.900 -8.765 -10.668 1.00 0.00 H ATOM 542 HG22 THR A 49 -8.729 -10.301 -10.314 1.00 0.00 H ATOM 543 H THR A 49 -8.011 -6.649 -9.594 1.00 0.00 H ATOM 544 N MET A 50 -12.320 -6.724 -9.541 1.00 31.30 N ATOM 545 CA MET A 50 -13.339 -6.118 -8.692 1.00 27.43 C ATOM 546 C MET A 50 -13.122 -6.545 -7.234 1.00 30.93 C ATOM 547 O MET A 50 -13.389 -5.772 -6.314 1.00 31.24 O ATOM 548 CB MET A 50 -14.737 -6.487 -9.190 1.00 35.13 C ATOM 549 CG MET A 50 -15.202 -5.626 -10.369 1.00 32.73 C ATOM 550 SD MET A 50 -15.469 -3.915 -9.846 1.00 41.18 S ATOM 551 CE MET A 50 -16.783 -4.060 -8.641 1.00 39.82 C ATOM 552 HA MET A 50 -13.253 -5.032 -8.741 1.00 0.00 H ATOM 553 HB2 MET A 50 -14.729 -7.531 -9.504 1.00 0.00 H ATOM 554 HB3 MET A 50 -15.443 -6.361 -8.369 1.00 0.00 H ATOM 555 HG2 MET A 50 -16.135 -6.030 -10.761 1.00 0.00 H ATOM 556 HG3 MET A 50 -14.442 -5.647 -11.150 1.00 0.00 H ATOM 557 HE1 MET A 50 -17.663 -4.495 -9.115 1.00 0.00 H ATOM 558 HE2 MET A 50 -16.455 -4.701 -7.823 1.00 0.00 H ATOM 559 HE3 MET A 50 -17.029 -3.072 -8.253 1.00 0.00 H ATOM 560 H MET A 50 -12.593 -7.393 -10.289 1.00 0.00 H ATOM 561 N LYS A 51 -12.611 -7.759 -7.033 1.00 29.05 N ATOM 562 CA LYS A 51 -12.317 -8.238 -5.675 1.00 29.97 C ATOM 563 C LYS A 51 -11.285 -7.336 -4.983 1.00 24.92 C ATOM 564 O LYS A 51 -11.432 -6.982 -3.817 1.00 28.79 O ATOM 565 CB LYS A 51 -11.830 -9.692 -5.734 1.00 34.87 C ATOM 566 CG LYS A 51 -11.533 -10.324 -4.383 1.00 37.31 C ATOM 567 CD LYS A 51 -11.089 -11.778 -4.555 1.00 51.97 C ATOM 568 CE LYS A 51 -9.802 -12.079 -3.797 1.00 65.30 C ATOM 569 NZ LYS A 51 -9.577 -13.562 -3.665 1.00 70.15 N ATOM 570 HA LYS A 51 -13.231 -8.198 -5.082 1.00 0.00 H ATOM 571 HB2 LYS A 51 -12.600 -10.287 -6.225 1.00 0.00 H ATOM 572 HB3 LYS A 51 -10.917 -9.720 -6.329 1.00 0.00 H ATOM 573 HG2 LYS A 51 -10.739 -9.762 -3.891 1.00 0.00 H ATOM 574 HG3 LYS A 51 -12.432 -10.294 -3.768 1.00 0.00 H ATOM 575 HD2 LYS A 51 -11.877 -12.433 -4.183 1.00 0.00 H ATOM 576 HD3 LYS A 51 -10.926 -11.973 -5.615 1.00 0.00 H ATOM 577 HE2 LYS A 51 -9.865 -11.639 -2.802 1.00 0.00 H ATOM 578 HE3 LYS A 51 -8.962 -11.639 -4.335 1.00 0.00 H ATOM 579 HZ1 LYS A 51 -10.373 -13.987 -3.148 1.00 0.00 H ATOM 580 HZ2 LYS A 51 -9.510 -13.987 -4.612 1.00 0.00 H ATOM 581 HZ3 LYS A 51 -8.693 -13.732 -3.144 1.00 0.00 H ATOM 582 H LYS A 51 -12.418 -8.376 -7.848 1.00 0.00 H ATOM 583 N GLU A 52 -10.248 -6.946 -5.721 1.00 30.59 N ATOM 584 CA GLU A 52 -9.229 -6.031 -5.207 1.00 26.29 C ATOM 585 C GLU A 52 -9.799 -4.643 -4.915 1.00 32.33 C ATOM 586 O GLU A 52 -9.500 -4.037 -3.886 1.00 29.75 O ATOM 587 CB GLU A 52 -8.054 -5.936 -6.188 1.00 28.88 C ATOM 588 CG GLU A 52 -7.251 -7.250 -6.262 1.00 30.39 C ATOM 589 CD GLU A 52 -6.329 -7.363 -7.483 1.00 40.71 C ATOM 590 OE1 GLU A 52 -6.452 -6.560 -8.438 1.00 37.05 O ATOM 591 OE2 GLU A 52 -5.487 -8.280 -7.481 1.00 40.66 O ATOM 592 HA GLU A 52 -8.871 -6.438 -4.262 1.00 0.00 H ATOM 593 HB2 GLU A 52 -8.442 -5.705 -7.180 1.00 0.00 H ATOM 594 HB3 GLU A 52 -7.389 -5.135 -5.864 1.00 0.00 H ATOM 595 HG2 GLU A 52 -6.638 -7.326 -5.364 1.00 0.00 H ATOM 596 HG3 GLU A 52 -7.957 -8.080 -6.290 1.00 0.00 H ATOM 597 H GLU A 52 -10.160 -7.303 -6.694 1.00 0.00 H ATOM 598 N VAL A 53 -10.617 -4.125 -5.817 1.00 28.28 N ATOM 599 CA VAL A 53 -11.221 -2.821 -5.568 1.00 24.06 C ATOM 600 C VAL A 53 -12.045 -2.876 -4.276 1.00 27.16 C ATOM 601 O VAL A 53 -11.973 -1.969 -3.467 1.00 28.25 O ATOM 602 CB VAL A 53 -12.121 -2.412 -6.716 1.00 24.69 C ATOM 603 CG1 VAL A 53 -12.834 -1.075 -6.397 1.00 27.03 C ATOM 604 CG2 VAL A 53 -11.297 -2.281 -8.005 1.00 28.43 C ATOM 605 HA VAL A 53 -10.422 -2.086 -5.472 1.00 0.00 H ATOM 606 HB VAL A 53 -12.880 -3.181 -6.857 1.00 0.00 H ATOM 607 HG11 VAL A 53 -13.438 -1.192 -5.497 1.00 0.00 H ATOM 608 HG12 VAL A 53 -12.088 -0.296 -6.236 1.00 0.00 H ATOM 609 HG13 VAL A 53 -13.476 -0.798 -7.234 1.00 0.00 H ATOM 610 HG21 VAL A 53 -10.525 -1.525 -7.866 1.00 0.00 H ATOM 611 HG22 VAL A 53 -10.831 -3.239 -8.236 1.00 0.00 H ATOM 612 HG23 VAL A 53 -11.952 -1.987 -8.825 1.00 0.00 H ATOM 613 H VAL A 53 -10.827 -4.642 -6.694 1.00 0.00 H ATOM 614 N LEU A 54 -12.831 -3.941 -4.093 1.00 25.21 N ATOM 615 CA LEU A 54 -13.642 -4.081 -2.880 1.00 26.63 C ATOM 616 C LEU A 54 -12.766 -4.129 -1.633 1.00 26.96 C ATOM 617 O LEU A 54 -13.093 -3.543 -0.605 1.00 27.90 O ATOM 618 CB LEU A 54 -14.466 -5.374 -2.952 1.00 28.36 C ATOM 619 CG LEU A 54 -15.609 -5.305 -3.964 1.00 31.10 C ATOM 620 CD1 LEU A 54 -16.164 -6.709 -4.256 1.00 30.54 C ATOM 621 CD2 LEU A 54 -16.697 -4.371 -3.450 1.00 29.20 C ATOM 622 HA LEU A 54 -14.300 -3.214 -2.817 1.00 0.00 H ATOM 623 HB2 LEU A 54 -13.803 -6.192 -3.233 1.00 0.00 H ATOM 624 HB3 LEU A 54 -14.887 -5.572 -1.966 1.00 0.00 H ATOM 625 HG LEU A 54 -15.229 -4.905 -4.904 1.00 0.00 H ATOM 626 HD21 LEU A 54 -17.078 -4.747 -2.500 1.00 0.00 H ATOM 627 HD22 LEU A 54 -16.280 -3.374 -3.307 1.00 0.00 H ATOM 628 HD23 LEU A 54 -17.509 -4.326 -4.176 1.00 0.00 H ATOM 629 HD11 LEU A 54 -15.370 -7.335 -4.663 1.00 0.00 H ATOM 630 HD12 LEU A 54 -16.538 -7.150 -3.332 1.00 0.00 H ATOM 631 HD13 LEU A 54 -16.976 -6.634 -4.979 1.00 0.00 H ATOM 632 H LEU A 54 -12.868 -4.682 -4.822 1.00 0.00 H ATOM 633 N PHE A 55 -11.653 -4.849 -1.721 1.00 25.24 N ATOM 634 CA PHE A 55 -10.773 -4.961 -0.569 1.00 27.15 C ATOM 635 C PHE A 55 -10.268 -3.595 -0.136 1.00 32.85 C ATOM 636 O PHE A 55 -10.299 -3.247 1.062 1.00 28.94 O ATOM 637 CB PHE A 55 -9.588 -5.872 -0.855 1.00 25.80 C ATOM 638 CG PHE A 55 -8.639 -5.975 0.297 1.00 28.03 C ATOM 639 CD1 PHE A 55 -8.857 -6.903 1.298 1.00 29.69 C ATOM 640 CD2 PHE A 55 -7.553 -5.113 0.405 1.00 27.64 C ATOM 641 CE1 PHE A 55 -7.986 -7.000 2.370 1.00 30.99 C ATOM 642 CE2 PHE A 55 -6.698 -5.183 1.502 1.00 29.60 C ATOM 643 CZ PHE A 55 -6.909 -6.135 2.468 1.00 31.79 C ATOM 644 HA PHE A 55 -11.360 -5.399 0.238 1.00 0.00 H ATOM 645 HB2 PHE A 55 -9.964 -6.869 -1.086 1.00 0.00 H ATOM 646 HB3 PHE A 55 -9.048 -5.480 -1.717 1.00 0.00 H ATOM 647 HD2 PHE A 55 -7.369 -4.376 -0.376 1.00 0.00 H ATOM 648 HE2 PHE A 55 -5.865 -4.485 1.593 1.00 0.00 H ATOM 649 HZ PHE A 55 -6.227 -6.210 3.315 1.00 0.00 H ATOM 650 HE1 PHE A 55 -8.148 -7.757 3.137 1.00 0.00 H ATOM 651 HD1 PHE A 55 -9.722 -7.564 1.243 1.00 0.00 H ATOM 652 H PHE A 55 -11.412 -5.331 -2.611 1.00 0.00 H ATOM 653 N TYR A 56 -9.813 -2.814 -1.104 1.00 27.46 N ATOM 654 CA TYR A 56 -9.217 -1.520 -0.779 1.00 27.78 C ATOM 655 C TYR A 56 -10.276 -0.533 -0.309 1.00 28.12 C ATOM 656 O TYR A 56 -10.021 0.260 0.589 1.00 28.23 O ATOM 657 CB TYR A 56 -8.408 -0.948 -1.957 1.00 27.72 C ATOM 658 CG TYR A 56 -7.131 -1.707 -2.209 1.00 30.03 C ATOM 659 CD1 TYR A 56 -6.115 -1.724 -1.256 1.00 29.26 C ATOM 660 CD2 TYR A 56 -6.926 -2.402 -3.398 1.00 28.19 C ATOM 661 CE1 TYR A 56 -4.934 -2.414 -1.473 1.00 30.07 C ATOM 662 CE2 TYR A 56 -5.742 -3.105 -3.622 1.00 30.06 C ATOM 663 CZ TYR A 56 -4.753 -3.107 -2.659 1.00 29.66 C ATOM 664 OH TYR A 56 -3.571 -3.805 -2.864 1.00 30.89 O ATOM 665 HA TYR A 56 -8.518 -1.683 0.042 1.00 0.00 H ATOM 666 HB3 TYR A 56 -8.159 0.090 -1.738 1.00 0.00 H ATOM 667 HB2 TYR A 56 -9.023 -0.991 -2.856 1.00 0.00 H ATOM 668 HD2 TYR A 56 -7.701 -2.397 -4.164 1.00 0.00 H ATOM 669 HE2 TYR A 56 -5.598 -3.651 -4.554 1.00 0.00 H ATOM 670 HE1 TYR A 56 -4.151 -2.412 -0.715 1.00 0.00 H ATOM 671 HD1 TYR A 56 -6.252 -1.183 -0.320 1.00 0.00 H ATOM 672 HH TYR A 56 -3.115 -3.451 -3.668 1.00 0.00 H ATOM 673 H TYR A 56 -9.880 -3.122 -2.095 1.00 0.00 H ATOM 674 N LEU A 57 -11.467 -0.573 -0.904 1.00 25.69 N ATOM 675 CA LEU A 57 -12.560 0.267 -0.394 1.00 26.59 C ATOM 676 C LEU A 57 -12.865 -0.079 1.055 1.00 26.60 C ATOM 677 O LEU A 57 -13.151 0.795 1.873 1.00 30.55 O ATOM 678 CB LEU A 57 -13.814 0.102 -1.251 1.00 27.71 C ATOM 679 CG LEU A 57 -13.701 0.779 -2.616 1.00 28.52 C ATOM 680 CD1 LEU A 57 -14.865 0.393 -3.527 1.00 31.20 C ATOM 681 CD2 LEU A 57 -13.669 2.274 -2.420 1.00 29.23 C ATOM 682 HA LEU A 57 -12.241 1.308 -0.446 1.00 0.00 H ATOM 683 HB2 LEU A 57 -13.992 -0.962 -1.405 1.00 0.00 H ATOM 684 HB3 LEU A 57 -14.659 0.536 -0.717 1.00 0.00 H ATOM 685 HG LEU A 57 -12.782 0.446 -3.098 1.00 0.00 H ATOM 686 HD21 LEU A 57 -14.586 2.594 -1.925 1.00 0.00 H ATOM 687 HD22 LEU A 57 -12.810 2.540 -1.804 1.00 0.00 H ATOM 688 HD23 LEU A 57 -13.588 2.765 -3.390 1.00 0.00 H ATOM 689 HD11 LEU A 57 -14.867 -0.687 -3.675 1.00 0.00 H ATOM 690 HD12 LEU A 57 -15.803 0.699 -3.065 1.00 0.00 H ATOM 691 HD13 LEU A 57 -14.753 0.892 -4.489 1.00 0.00 H ATOM 692 H LEU A 57 -11.622 -1.194 -1.724 1.00 0.00 H ATOM 693 N GLY A 58 -12.795 -1.360 1.383 1.00 24.55 N ATOM 694 CA GLY A 58 -12.981 -1.781 2.764 1.00 28.97 C ATOM 695 C GLY A 58 -11.930 -1.165 3.674 1.00 34.11 C ATOM 696 O GLY A 58 -12.242 -0.730 4.784 1.00 29.78 O ATOM 697 HA3 GLY A 58 -12.906 -2.867 2.818 1.00 0.00 H ATOM 698 HA2 GLY A 58 -13.970 -1.469 3.101 1.00 0.00 H ATOM 699 H GLY A 58 -12.606 -2.071 0.648 1.00 0.00 H ATOM 700 N GLN A 59 -10.675 -1.135 3.221 1.00 31.45 N ATOM 701 CA GLN A 59 -9.609 -0.557 4.037 1.00 32.07 C ATOM 702 C GLN A 59 -9.831 0.944 4.221 1.00 27.53 C ATOM 703 O GLN A 59 -9.558 1.492 5.287 1.00 32.51 O ATOM 704 CB GLN A 59 -8.229 -0.837 3.425 1.00 32.47 C ATOM 705 CG GLN A 59 -7.838 -2.340 3.402 1.00 30.73 C ATOM 706 CD GLN A 59 -7.871 -2.973 4.778 1.00 35.46 C ATOM 707 OE1 GLN A 59 -8.516 -4.009 4.991 1.00 42.63 O ATOM 708 NE2 GLN A 59 -7.172 -2.363 5.721 1.00 30.76 N ATOM 709 HA GLN A 59 -9.637 -1.031 5.018 1.00 0.00 H ATOM 710 HB2 GLN A 59 -8.228 -0.467 2.400 1.00 0.00 H ATOM 711 HB3 GLN A 59 -7.481 -0.297 4.006 1.00 0.00 H ATOM 712 HG2 GLN A 59 -8.536 -2.872 2.756 1.00 0.00 H ATOM 713 HG3 GLN A 59 -6.829 -2.432 2.999 1.00 0.00 H ATOM 714 HE22 GLN A 59 -6.645 -1.495 5.498 1.00 0.00 H ATOM 715 HE21 GLN A 59 -7.150 -2.752 6.685 1.00 0.00 H ATOM 716 H GLN A 59 -10.454 -1.525 2.282 1.00 0.00 H ATOM 717 N TYR A 60 -10.311 1.611 3.174 1.00 27.46 N ATOM 718 CA TYR A 60 -10.601 3.042 3.258 1.00 26.91 C ATOM 719 C TYR A 60 -11.663 3.320 4.315 1.00 30.88 C ATOM 720 O TYR A 60 -11.519 4.209 5.171 1.00 30.85 O ATOM 721 CB TYR A 60 -11.100 3.543 1.900 1.00 28.84 C ATOM 722 CG TYR A 60 -11.377 5.027 1.869 1.00 30.08 C ATOM 723 CD1 TYR A 60 -10.350 5.941 1.678 1.00 27.03 C ATOM 724 CD2 TYR A 60 -12.670 5.514 2.035 1.00 28.77 C ATOM 725 CE1 TYR A 60 -10.599 7.315 1.647 1.00 30.02 C ATOM 726 CE2 TYR A 60 -12.931 6.878 2.017 1.00 30.02 C ATOM 727 CZ TYR A 60 -11.892 7.772 1.829 1.00 33.59 C ATOM 728 OH TYR A 60 -12.158 9.119 1.808 1.00 36.04 O ATOM 729 HA TYR A 60 -9.685 3.563 3.537 1.00 0.00 H ATOM 730 HB3 TYR A 60 -12.021 3.015 1.655 1.00 0.00 H ATOM 731 HB2 TYR A 60 -10.342 3.318 1.149 1.00 0.00 H ATOM 732 HD2 TYR A 60 -13.492 4.813 2.182 1.00 0.00 H ATOM 733 HE2 TYR A 60 -13.950 7.242 2.150 1.00 0.00 H ATOM 734 HE1 TYR A 60 -9.784 8.019 1.481 1.00 0.00 H ATOM 735 HD1 TYR A 60 -9.330 5.580 1.550 1.00 0.00 H ATOM 736 HH TYR A 60 -11.315 9.618 1.665 1.00 0.00 H ATOM 737 H TYR A 60 -10.483 1.106 2.281 1.00 0.00 H ATOM 738 N ILE A 61 -12.749 2.564 4.251 1.00 27.93 N ATOM 739 CA ILE A 61 -13.878 2.793 5.155 1.00 26.85 C ATOM 740 C ILE A 61 -13.443 2.517 6.591 1.00 30.40 C ATOM 741 O ILE A 61 -13.808 3.241 7.509 1.00 32.04 O ATOM 742 CB ILE A 61 -15.082 1.882 4.749 1.00 25.50 C ATOM 743 CG1 ILE A 61 -15.665 2.351 3.420 1.00 29.80 C ATOM 744 CG2 ILE A 61 -16.174 1.860 5.827 1.00 28.64 C ATOM 745 CD1 ILE A 61 -16.507 1.260 2.754 1.00 26.40 C ATOM 746 HA ILE A 61 -14.201 3.832 5.082 1.00 0.00 H ATOM 747 HB ILE A 61 -14.706 0.864 4.644 1.00 0.00 H ATOM 748 HG12 ILE A 61 -16.294 3.223 3.598 1.00 0.00 H ATOM 749 HG13 ILE A 61 -14.848 2.624 2.752 1.00 0.00 H ATOM 750 HD11 ILE A 61 -15.884 0.386 2.566 1.00 0.00 H ATOM 751 HD12 ILE A 61 -17.331 0.986 3.413 1.00 0.00 H ATOM 752 HD13 ILE A 61 -16.904 1.634 1.810 1.00 0.00 H ATOM 753 HG21 ILE A 61 -15.756 1.478 6.758 1.00 0.00 H ATOM 754 HG22 ILE A 61 -16.549 2.872 5.983 1.00 0.00 H ATOM 755 HG23 ILE A 61 -16.990 1.215 5.502 1.00 0.00 H ATOM 756 H ILE A 61 -12.800 1.798 3.550 1.00 0.00 H ATOM 757 N MET A 62 -12.631 1.480 6.782 1.00 31.90 N ATOM 758 CA MET A 62 -12.094 1.173 8.113 1.00 31.31 C ATOM 759 C MET A 62 -11.222 2.296 8.640 1.00 38.33 C ATOM 760 O MET A 62 -11.404 2.775 9.764 1.00 39.22 O ATOM 761 CB MET A 62 -11.222 -0.092 8.066 1.00 38.17 C ATOM 762 CG MET A 62 -11.973 -1.389 7.856 1.00 51.55 C ATOM 763 SD MET A 62 -10.922 -2.853 7.646 1.00123.60 S ATOM 764 CE MET A 62 -9.859 -2.772 9.087 1.00 80.51 C ATOM 765 HA MET A 62 -12.955 1.032 8.767 1.00 0.00 H ATOM 766 HB2 MET A 62 -10.509 0.020 7.249 1.00 0.00 H ATOM 767 HB3 MET A 62 -10.682 -0.164 9.010 1.00 0.00 H ATOM 768 HG2 MET A 62 -12.590 -1.283 6.963 1.00 0.00 H ATOM 769 HG3 MET A 62 -12.615 -1.553 8.722 1.00 0.00 H ATOM 770 HE1 MET A 62 -9.296 -1.839 9.070 1.00 0.00 H ATOM 771 HE2 MET A 62 -10.469 -2.813 9.990 1.00 0.00 H ATOM 772 HE3 MET A 62 -9.168 -3.615 9.075 1.00 0.00 H ATOM 773 H MET A 62 -12.373 0.877 5.975 1.00 0.00 H ATOM 774 N THR A 63 -10.256 2.687 7.822 1.00 37.83 N ATOM 775 CA THR A 63 -9.255 3.672 8.207 1.00 39.18 C ATOM 776 C THR A 63 -9.868 5.015 8.595 1.00 41.35 C ATOM 777 O THR A 63 -9.434 5.654 9.550 1.00 43.62 O ATOM 778 CB THR A 63 -8.246 3.875 7.075 1.00 42.14 C ATOM 779 OG1 THR A 63 -7.590 2.631 6.825 1.00 48.09 O ATOM 780 CG2 THR A 63 -7.198 4.896 7.464 1.00 46.79 C ATOM 781 HA THR A 63 -8.750 3.277 9.089 1.00 0.00 H ATOM 782 HB THR A 63 -8.775 4.229 6.191 1.00 0.00 H ATOM 783 HG1 THR A 63 -8.261 1.952 6.563 1.00 0.00 H ATOM 784 HG23 THR A 63 -7.680 5.854 7.659 1.00 0.00 H ATOM 785 HG21 THR A 63 -6.680 4.559 8.362 1.00 0.00 H ATOM 786 HG22 THR A 63 -6.482 5.008 6.650 1.00 0.00 H ATOM 787 H THR A 63 -10.211 2.275 6.868 1.00 0.00 H ATOM 788 N LYS A 64 -10.878 5.434 7.855 1.00 35.71 N ATOM 789 CA LYS A 64 -11.534 6.699 8.130 1.00 40.51 C ATOM 790 C LYS A 64 -12.721 6.534 9.069 1.00 41.20 C ATOM 791 O LYS A 64 -13.416 7.509 9.393 1.00 39.49 O ATOM 792 CB LYS A 64 -11.955 7.341 6.818 1.00 42.02 C ATOM 793 CG LYS A 64 -10.758 7.577 5.910 1.00 45.28 C ATOM 794 CD LYS A 64 -11.049 8.629 4.880 1.00 47.78 C ATOM 795 CE LYS A 64 -10.968 10.033 5.439 1.00 50.46 C ATOM 796 NZ LYS A 64 -11.457 11.040 4.432 1.00 53.63 N ATOM 797 HA LYS A 64 -10.826 7.352 8.640 1.00 0.00 H ATOM 798 HB2 LYS A 64 -12.662 6.684 6.311 1.00 0.00 H ATOM 799 HB3 LYS A 64 -12.436 8.296 7.028 1.00 0.00 H ATOM 800 HG2 LYS A 64 -9.911 7.899 6.516 1.00 0.00 H ATOM 801 HG3 LYS A 64 -10.508 6.645 5.404 1.00 0.00 H ATOM 802 HD2 LYS A 64 -10.326 8.534 4.070 1.00 0.00 H ATOM 803 HD3 LYS A 64 -12.054 8.466 4.489 1.00 0.00 H ATOM 804 HE2 LYS A 64 -9.932 10.257 5.694 1.00 0.00 H ATOM 805 HE3 LYS A 64 -11.584 10.097 6.336 1.00 0.00 H ATOM 806 HZ1 LYS A 64 -10.869 10.986 3.576 1.00 0.00 H ATOM 807 HZ2 LYS A 64 -12.447 10.833 4.189 1.00 0.00 H ATOM 808 HZ3 LYS A 64 -11.392 11.995 4.839 1.00 0.00 H ATOM 809 H LYS A 64 -11.209 4.848 7.062 1.00 0.00 H ATOM 810 N ARG A 65 -12.933 5.297 9.507 1.00 33.24 N ATOM 811 CA ARG A 65 -13.970 4.975 10.480 1.00 38.24 C ATOM 812 C ARG A 65 -15.337 5.498 10.075 1.00 37.86 C ATOM 813 O ARG A 65 -16.015 6.154 10.866 1.00 39.05 O ATOM 814 CB ARG A 65 -13.590 5.556 11.838 1.00 45.47 C ATOM 815 CG ARG A 65 -12.299 5.011 12.394 1.00 53.69 C ATOM 816 CD ARG A 65 -12.547 3.791 13.276 1.00 69.21 C ATOM 817 NE ARG A 65 -11.300 3.241 13.812 1.00 81.99 N ATOM 818 CZ ARG A 65 -10.627 2.233 13.259 1.00 84.46 C ATOM 819 NH1 ARG A 65 -11.084 1.652 12.157 1.00 84.18 N ATOM 820 NH2 ARG A 65 -9.501 1.798 13.810 1.00 86.43 N ATOM 821 HA ARG A 65 -14.039 3.888 10.530 1.00 0.00 H ATOM 822 HB2 ARG A 65 -13.491 6.636 11.734 1.00 0.00 H ATOM 823 HB3 ARG A 65 -14.390 5.332 12.544 1.00 0.00 H ATOM 824 HG2 ARG A 65 -11.648 4.726 11.567 1.00 0.00 H ATOM 825 HG3 ARG A 65 -11.812 5.785 12.987 1.00 0.00 H ATOM 826 HD2 ARG A 65 -13.045 3.023 12.684 1.00 0.00 H ATOM 827 HD3 ARG A 65 -13.190 4.081 14.107 1.00 0.00 H ATOM 828 HE ARG A 65 -10.915 3.665 14.680 1.00 0.00 H ATOM 829 HH12 ARG A 65 -10.557 0.865 11.727 1.00 0.00 H ATOM 830 HH11 ARG A 65 -11.969 1.983 11.723 1.00 0.00 H ATOM 831 HH22 ARG A 65 -8.979 1.011 13.375 1.00 0.00 H ATOM 832 HH21 ARG A 65 -9.140 2.244 14.677 1.00 0.00 H ATOM 833 H ARG A 65 -12.335 4.528 9.141 1.00 0.00 H ATOM 834 N LEU A 66 -15.745 5.212 8.847 1.00 32.55 N ATOM 835 CA LEU A 66 -16.970 5.794 8.325 1.00 33.03 C ATOM 836 C LEU A 66 -18.186 4.963 8.652 1.00 35.89 C ATOM 837 O LEU A 66 -19.313 5.404 8.437 1.00 37.90 O ATOM 838 CB LEU A 66 -16.879 5.941 6.813 1.00 31.12 C ATOM 839 CG LEU A 66 -15.820 6.934 6.341 1.00 36.18 C ATOM 840 CD1 LEU A 66 -15.796 6.944 4.832 1.00 33.57 C ATOM 841 CD2 LEU A 66 -16.109 8.330 6.892 1.00 37.31 C ATOM 842 HA LEU A 66 -17.080 6.768 8.801 1.00 0.00 H ATOM 843 HB2 LEU A 66 -16.645 4.965 6.388 1.00 0.00 H ATOM 844 HB3 LEU A 66 -17.849 6.274 6.443 1.00 0.00 H ATOM 845 HG LEU A 66 -14.842 6.630 6.714 1.00 0.00 H ATOM 846 HD21 LEU A 66 -17.087 8.662 6.542 1.00 0.00 H ATOM 847 HD22 LEU A 66 -16.103 8.298 7.982 1.00 0.00 H ATOM 848 HD23 LEU A 66 -15.343 9.022 6.544 1.00 0.00 H ATOM 849 HD11 LEU A 66 -15.554 5.946 4.467 1.00 0.00 H ATOM 850 HD12 LEU A 66 -16.775 7.242 4.456 1.00 0.00 H ATOM 851 HD13 LEU A 66 -15.042 7.651 4.487 1.00 0.00 H ATOM 852 H LEU A 66 -15.185 4.567 8.253 1.00 0.00 H ATOM 853 N TYR A 67 -17.972 3.760 9.164 1.00 34.20 N ATOM 854 CA TYR A 67 -19.092 2.884 9.503 1.00 31.91 C ATOM 855 C TYR A 67 -19.648 3.187 10.884 1.00 36.84 C ATOM 856 O TYR A 67 -18.926 3.644 11.783 1.00 37.72 O ATOM 857 CB TYR A 67 -18.664 1.415 9.406 1.00 36.17 C ATOM 858 CG TYR A 67 -17.555 1.036 10.362 1.00 41.08 C ATOM 859 CD1 TYR A 67 -17.834 0.629 11.666 1.00 46.82 C ATOM 860 CD2 TYR A 67 -16.226 1.092 9.962 1.00 38.15 C ATOM 861 CE1 TYR A 67 -16.811 0.289 12.548 1.00 53.25 C ATOM 862 CE2 TYR A 67 -15.191 0.744 10.836 1.00 41.30 C ATOM 863 CZ TYR A 67 -15.490 0.343 12.118 1.00 54.85 C ATOM 864 OH TYR A 67 -14.463 0.007 12.973 1.00 59.23 O ATOM 865 HA TYR A 67 -19.889 3.071 8.783 1.00 0.00 H ATOM 866 HB3 TYR A 67 -18.322 1.223 8.389 1.00 0.00 H ATOM 867 HB2 TYR A 67 -19.531 0.790 9.620 1.00 0.00 H ATOM 868 HD2 TYR A 67 -15.985 1.413 8.949 1.00 0.00 H ATOM 869 HE2 TYR A 67 -14.154 0.790 10.504 1.00 0.00 H ATOM 870 HE1 TYR A 67 -17.044 -0.017 13.568 1.00 0.00 H ATOM 871 HD1 TYR A 67 -18.870 0.576 12.001 1.00 0.00 H ATOM 872 HH TYR A 67 -14.838 -0.258 13.850 1.00 0.00 H ATOM 873 H TYR A 67 -16.997 3.436 9.326 1.00 0.00 H ATOM 874 N ASP A 68 -20.938 2.934 11.070 1.00 35.67 N ATOM 875 CA ASP A 68 -21.544 3.172 12.367 1.00 36.77 C ATOM 876 C ASP A 68 -20.981 2.168 13.369 1.00 39.66 C ATOM 877 O ASP A 68 -20.995 0.971 13.108 1.00 42.32 O ATOM 878 CB ASP A 68 -23.065 3.045 12.296 1.00 39.72 C ATOM 879 CG ASP A 68 -23.740 3.543 13.549 1.00 44.58 C ATOM 880 OD1 ASP A 68 -23.579 2.900 14.610 1.00 46.51 O ATOM 881 OD2 ASP A 68 -24.431 4.591 13.489 1.00 45.59 O ATOM 882 HA ASP A 68 -21.309 4.188 12.685 1.00 0.00 H ATOM 883 HB2 ASP A 68 -23.426 3.627 11.448 1.00 0.00 H ATOM 884 HB3 ASP A 68 -23.323 1.996 12.152 1.00 0.00 H ATOM 885 H ASP A 68 -21.514 2.565 10.286 1.00 0.00 H ATOM 886 N GLU A 69 -20.491 2.657 14.505 1.00 43.42 N ATOM 887 CA GLU A 69 -19.824 1.797 15.480 1.00 50.66 C ATOM 888 C GLU A 69 -20.732 0.689 15.998 1.00 52.03 C ATOM 889 O GLU A 69 -20.296 -0.449 16.175 1.00 50.13 O ATOM 890 CB GLU A 69 -19.281 2.612 16.662 1.00 56.71 C ATOM 891 CG GLU A 69 -17.851 3.109 16.478 1.00 61.84 C ATOM 892 CD GLU A 69 -17.353 3.940 17.657 1.00 75.08 C ATOM 893 OE1 GLU A 69 -18.087 4.068 18.669 1.00 77.88 O ATOM 894 OE2 GLU A 69 -16.222 4.471 17.569 1.00 77.65 O ATOM 895 HA GLU A 69 -18.992 1.330 14.953 1.00 0.00 H ATOM 896 HB2 GLU A 69 -19.928 3.478 16.806 1.00 0.00 H ATOM 897 HB3 GLU A 69 -19.313 1.985 17.553 1.00 0.00 H ATOM 898 HG2 GLU A 69 -17.196 2.246 16.359 1.00 0.00 H ATOM 899 HG3 GLU A 69 -17.809 3.722 15.578 1.00 0.00 H ATOM 900 H GLU A 69 -20.585 3.674 14.703 1.00 0.00 H ATOM 901 N LYS A 70 -21.996 1.028 16.238 1.00 43.16 N ATOM 902 CA LYS A 70 -22.944 0.079 16.805 1.00 44.71 C ATOM 903 C LYS A 70 -23.791 -0.637 15.752 1.00 46.32 C ATOM 904 O LYS A 70 -24.294 -1.728 15.996 1.00 55.14 O ATOM 905 CB LYS A 70 -23.835 0.761 17.851 1.00 47.05 C ATOM 906 CG LYS A 70 -23.092 1.234 19.115 1.00 49.93 C ATOM 907 CD LYS A 70 -24.041 1.868 20.117 1.00 53.81 C ATOM 908 CE LYS A 70 -23.356 2.213 21.452 1.00 57.43 C ATOM 909 NZ LYS A 70 -24.318 2.658 22.530 1.00 62.00 N ATOM 910 HA LYS A 70 -22.349 -0.694 17.292 1.00 0.00 H ATOM 911 HB2 LYS A 70 -24.302 1.629 17.386 1.00 0.00 H ATOM 912 HB3 LYS A 70 -24.607 0.053 18.154 1.00 0.00 H ATOM 913 HG2 LYS A 70 -22.606 0.377 19.581 1.00 0.00 H ATOM 914 HG3 LYS A 70 -22.338 1.967 18.829 1.00 0.00 H ATOM 915 HD2 LYS A 70 -24.443 2.784 19.685 1.00 0.00 H ATOM 916 HD3 LYS A 70 -24.856 1.172 20.313 1.00 0.00 H ATOM 917 HE2 LYS A 70 -22.641 3.016 21.275 1.00 0.00 H ATOM 918 HE3 LYS A 70 -22.826 1.329 21.806 1.00 0.00 H ATOM 919 HZ1 LYS A 70 -24.824 3.509 22.212 1.00 0.00 H ATOM 920 HZ2 LYS A 70 -25.001 1.897 22.719 1.00 0.00 H ATOM 921 HZ3 LYS A 70 -23.788 2.873 23.399 1.00 0.00 H ATOM 922 H LYS A 70 -22.314 1.993 16.016 1.00 0.00 H ATOM 923 N GLN A 71 -23.948 -0.023 14.583 1.00 42.86 N ATOM 924 CA GLN A 71 -24.718 -0.618 13.500 1.00 45.59 C ATOM 925 C GLN A 71 -23.797 -0.705 12.305 1.00 43.28 C ATOM 926 O GLN A 71 -23.916 0.078 11.356 1.00 44.00 O ATOM 927 CB GLN A 71 -25.937 0.252 13.174 1.00 44.34 C ATOM 928 CG GLN A 71 -26.788 0.579 14.372 1.00 45.67 C ATOM 929 CD GLN A 71 -27.419 -0.650 14.980 1.00 52.69 C ATOM 930 OE1 GLN A 71 -27.681 -1.633 14.287 1.00 59.14 O ATOM 931 NE2 GLN A 71 -27.658 -0.607 16.277 1.00 50.90 N ATOM 932 HA GLN A 71 -25.087 -1.605 13.779 1.00 0.00 H ATOM 933 HB2 GLN A 71 -25.586 1.186 12.736 1.00 0.00 H ATOM 934 HB3 GLN A 71 -26.554 -0.278 12.448 1.00 0.00 H ATOM 935 HG2 GLN A 71 -26.164 1.061 15.124 1.00 0.00 H ATOM 936 HG3 GLN A 71 -27.579 1.263 14.064 1.00 0.00 H ATOM 937 HE22 GLN A 71 -27.419 0.246 16.822 1.00 0.00 H ATOM 938 HE21 GLN A 71 -28.085 -1.426 16.755 1.00 0.00 H ATOM 939 H GLN A 71 -23.508 0.908 14.438 1.00 0.00 H ATOM 940 N GLN A 72 -22.858 -1.649 12.359 1.00 36.89 N ATOM 941 CA GLN A 72 -21.694 -1.614 11.467 1.00 34.56 C ATOM 942 C GLN A 72 -21.969 -1.888 9.996 1.00 37.67 C ATOM 943 O GLN A 72 -21.060 -1.788 9.165 1.00 37.34 O ATOM 944 CB GLN A 72 -20.583 -2.522 12.003 1.00 40.60 C ATOM 945 CG GLN A 72 -20.249 -2.198 13.456 1.00 42.45 C ATOM 946 CD GLN A 72 -18.972 -2.845 13.953 1.00 49.65 C ATOM 947 OE1 GLN A 72 -18.264 -3.514 13.199 1.00 57.47 O ATOM 948 NE2 GLN A 72 -18.674 -2.652 15.241 1.00 50.34 N ATOM 949 HA GLN A 72 -21.369 -0.574 11.479 1.00 0.00 H ATOM 950 HB2 GLN A 72 -20.910 -3.560 11.937 1.00 0.00 H ATOM 951 HB3 GLN A 72 -19.689 -2.385 11.395 1.00 0.00 H ATOM 952 HG2 GLN A 72 -20.146 -1.117 13.552 1.00 0.00 H ATOM 953 HG3 GLN A 72 -21.073 -2.540 14.082 1.00 0.00 H ATOM 954 HE22 GLN A 72 -19.302 -2.079 15.840 1.00 0.00 H ATOM 955 HE21 GLN A 72 -17.814 -3.075 15.645 1.00 0.00 H ATOM 956 H GLN A 72 -22.952 -2.424 13.046 1.00 0.00 H ATOM 957 N HIS A 73 -23.214 -2.206 9.659 1.00 36.88 N ATOM 958 CA HIS A 73 -23.578 -2.310 8.241 1.00 38.70 C ATOM 959 C HIS A 73 -23.856 -0.951 7.576 1.00 37.72 C ATOM 960 O HIS A 73 -23.982 -0.867 6.350 1.00 35.93 O ATOM 961 CB HIS A 73 -24.775 -3.236 8.064 1.00 41.84 C ATOM 962 CG HIS A 73 -26.015 -2.736 8.724 1.00 45.74 C ATOM 963 ND1 HIS A 73 -26.201 -2.791 10.087 1.00 51.96 N ATOM 964 CD2 HIS A 73 -27.128 -2.163 8.209 1.00 44.18 C ATOM 965 CE1 HIS A 73 -27.382 -2.277 10.386 1.00 52.55 C ATOM 966 NE2 HIS A 73 -27.964 -1.888 9.265 1.00 47.41 N ATOM 967 HA HIS A 73 -22.708 -2.730 7.735 1.00 0.00 H ATOM 968 HB2 HIS A 73 -24.972 -3.346 6.998 1.00 0.00 H ATOM 969 HB3 HIS A 73 -24.525 -4.208 8.489 1.00 0.00 H ATOM 970 HD2 HIS A 73 -27.324 -1.958 7.156 1.00 0.00 H ATOM 971 HE1 HIS A 73 -27.804 -2.189 11.387 1.00 0.00 H ATOM 972 H HIS A 73 -23.927 -2.380 10.396 1.00 0.00 H ATOM 973 N ILE A 74 -23.952 0.115 8.367 1.00 35.28 N ATOM 974 CA ILE A 74 -24.171 1.440 7.785 1.00 33.09 C ATOM 975 C ILE A 74 -22.857 2.184 7.575 1.00 31.44 C ATOM 976 O ILE A 74 -22.055 2.305 8.500 1.00 32.96 O ATOM 977 CB ILE A 74 -25.074 2.293 8.691 1.00 37.85 C ATOM 978 CG1 ILE A 74 -26.430 1.617 8.826 1.00 37.43 C ATOM 979 CG2 ILE A 74 -25.229 3.710 8.127 1.00 37.20 C ATOM 980 CD1 ILE A 74 -27.109 1.417 7.488 1.00 42.59 C ATOM 981 HA ILE A 74 -24.653 1.284 6.820 1.00 0.00 H ATOM 982 HB ILE A 74 -24.615 2.378 9.676 1.00 0.00 H ATOM 983 HG12 ILE A 74 -26.291 0.644 9.298 1.00 0.00 H ATOM 984 HG13 ILE A 74 -27.070 2.236 9.455 1.00 0.00 H ATOM 985 HD11 ILE A 74 -27.260 2.385 7.010 1.00 0.00 H ATOM 986 HD12 ILE A 74 -26.481 0.791 6.853 1.00 0.00 H ATOM 987 HD13 ILE A 74 -28.073 0.931 7.640 1.00 0.00 H ATOM 988 HG21 ILE A 74 -24.249 4.183 8.061 1.00 0.00 H ATOM 989 HG22 ILE A 74 -25.676 3.658 7.134 1.00 0.00 H ATOM 990 HG23 ILE A 74 -25.872 4.294 8.786 1.00 0.00 H ATOM 991 H ILE A 74 -23.871 0.007 9.398 1.00 0.00 H ATOM 992 N VAL A 75 -22.630 2.682 6.365 1.00 30.34 N ATOM 993 CA VAL A 75 -21.456 3.505 6.118 1.00 29.08 C ATOM 994 C VAL A 75 -21.931 4.925 5.854 1.00 30.40 C ATOM 995 O VAL A 75 -22.869 5.120 5.084 1.00 33.87 O ATOM 996 CB VAL A 75 -20.693 2.999 4.890 1.00 32.81 C ATOM 997 CG1 VAL A 75 -19.607 3.988 4.489 1.00 30.32 C ATOM 998 CG2 VAL A 75 -20.113 1.633 5.171 1.00 31.18 C ATOM 999 HA VAL A 75 -20.791 3.464 6.981 1.00 0.00 H ATOM 1000 HB VAL A 75 -21.385 2.912 4.053 1.00 0.00 H ATOM 1001 HG11 VAL A 75 -20.063 4.949 4.251 1.00 0.00 H ATOM 1002 HG12 VAL A 75 -18.906 4.111 5.315 1.00 0.00 H ATOM 1003 HG13 VAL A 75 -19.077 3.609 3.615 1.00 0.00 H ATOM 1004 HG21 VAL A 75 -19.430 1.697 6.018 1.00 0.00 H ATOM 1005 HG22 VAL A 75 -20.920 0.938 5.405 1.00 0.00 H ATOM 1006 HG23 VAL A 75 -19.572 1.281 4.292 1.00 0.00 H ATOM 1007 H VAL A 75 -23.295 2.483 5.590 1.00 0.00 H ATOM 1008 N TYR A 76 -21.315 5.904 6.514 1.00 30.94 N ATOM 1009 CA TYR A 76 -21.692 7.299 6.347 1.00 33.42 C ATOM 1010 C TYR A 76 -20.665 7.960 5.447 1.00 38.61 C ATOM 1011 O TYR A 76 -19.474 7.712 5.598 1.00 34.61 O ATOM 1012 CB TYR A 76 -21.663 8.017 7.682 1.00 34.47 C ATOM 1013 CG TYR A 76 -22.662 7.505 8.705 1.00 29.57 C ATOM 1014 CD1 TYR A 76 -23.986 7.935 8.683 1.00 31.08 C ATOM 1015 CD2 TYR A 76 -22.277 6.622 9.710 1.00 43.51 C ATOM 1016 CE1 TYR A 76 -24.908 7.487 9.635 1.00 36.07 C ATOM 1017 CE2 TYR A 76 -23.188 6.183 10.673 1.00 43.41 C ATOM 1018 CZ TYR A 76 -24.501 6.610 10.618 1.00 40.28 C ATOM 1019 OH TYR A 76 -25.418 6.171 11.558 1.00 43.63 O ATOM 1020 HA TYR A 76 -22.695 7.351 5.925 1.00 0.00 H ATOM 1021 HB3 TYR A 76 -21.871 9.072 7.504 1.00 0.00 H ATOM 1022 HB2 TYR A 76 -20.663 7.911 8.102 1.00 0.00 H ATOM 1023 HD2 TYR A 76 -21.247 6.267 9.746 1.00 0.00 H ATOM 1024 HE2 TYR A 76 -22.865 5.507 11.464 1.00 0.00 H ATOM 1025 HE1 TYR A 76 -25.942 7.829 9.600 1.00 0.00 H ATOM 1026 HD1 TYR A 76 -24.310 8.633 7.911 1.00 0.00 H ATOM 1027 HH TYR A 76 -25.118 6.442 12.462 1.00 0.00 H ATOM 1028 H TYR A 76 -20.542 5.664 7.168 1.00 0.00 H ATOM 1029 N CYS A 77 -21.113 8.820 4.536 1.00 36.54 N ATOM 1030 CA CYS A 77 -20.177 9.480 3.630 1.00 34.61 C ATOM 1031 C CYS A 77 -20.721 10.760 3.025 1.00 41.12 C ATOM 1032 O CYS A 77 -20.370 11.117 1.902 1.00 44.14 O ATOM 1033 CB CYS A 77 -19.748 8.499 2.528 1.00 33.22 C ATOM 1034 SG CYS A 77 -21.118 7.717 1.637 1.00 37.72 S ATOM 1035 HA CYS A 77 -19.313 9.776 4.225 1.00 0.00 H ATOM 1036 HB2 CYS A 77 -19.148 7.713 2.987 1.00 0.00 H ATOM 1037 HB3 CYS A 77 -19.140 9.044 1.806 1.00 0.00 H ATOM 1038 HG CYS A 77 -21.885 8.690 1.030 1.00 0.00 H ATOM 1039 H CYS A 77 -22.131 9.022 4.469 1.00 0.00 H ATOM 1040 N SER A 78 -21.548 11.487 3.769 1.00 41.24 N ATOM 1041 CA SER A 78 -22.182 12.674 3.192 1.00 44.84 C ATOM 1042 C SER A 78 -21.193 13.828 3.049 1.00 45.49 C ATOM 1043 O SER A 78 -21.436 14.778 2.300 1.00 52.44 O ATOM 1044 CB SER A 78 -23.439 13.091 3.976 1.00 44.83 C ATOM 1045 OG SER A 78 -23.106 13.604 5.245 1.00 52.94 O ATOM 1046 HA SER A 78 -22.510 12.406 2.188 1.00 0.00 H ATOM 1047 HB2 SER A 78 -24.083 12.221 4.103 1.00 0.00 H ATOM 1048 HB3 SER A 78 -23.971 13.857 3.412 1.00 0.00 H ATOM 1049 HG SER A 78 -23.934 13.862 5.723 1.00 0.00 H ATOM 1050 H SER A 78 -21.743 11.215 4.754 1.00 0.00 H ATOM 1051 N ASN A 79 -20.082 13.706 3.768 1.00 39.02 N ATOM 1052 CA ASN A 79 -19.052 14.725 3.795 1.00 40.65 C ATOM 1053 C ASN A 79 -17.693 14.050 3.652 1.00 42.31 C ATOM 1054 O ASN A 79 -16.786 14.284 4.452 1.00 47.14 O ATOM 1055 CB ASN A 79 -19.142 15.520 5.110 1.00 41.25 C ATOM 1056 CG ASN A 79 -18.319 16.782 5.086 1.00 45.20 C ATOM 1057 OD1 ASN A 79 -17.880 17.217 4.026 1.00 50.03 O ATOM 1058 ND2 ASN A 79 -18.114 17.390 6.256 1.00 45.19 N ATOM 1059 HA ASN A 79 -19.188 15.425 2.970 1.00 0.00 H ATOM 1060 HB2 ASN A 79 -20.184 15.787 5.286 1.00 0.00 H ATOM 1061 HB3 ASN A 79 -18.788 14.888 5.924 1.00 0.00 H ATOM 1062 HD22 ASN A 79 -18.506 16.983 7.129 1.00 0.00 H ATOM 1063 HD21 ASN A 79 -17.562 18.271 6.295 1.00 0.00 H ATOM 1064 H ASN A 79 -19.946 12.844 4.334 1.00 0.00 H ATOM 1065 N ASP A 80 -17.560 13.193 2.638 1.00 38.16 N ATOM 1066 CA ASP A 80 -16.319 12.474 2.418 1.00 39.42 C ATOM 1067 C ASP A 80 -16.167 12.235 0.920 1.00 43.32 C ATOM 1068 O ASP A 80 -17.157 12.151 0.200 1.00 39.03 O ATOM 1069 CB ASP A 80 -16.369 11.129 3.144 1.00 37.70 C ATOM 1070 CG ASP A 80 -15.020 10.438 3.195 1.00 39.34 C ATOM 1071 OD1 ASP A 80 -14.709 9.652 2.270 1.00 37.04 O ATOM 1072 OD2 ASP A 80 -14.270 10.685 4.157 1.00 39.27 O ATOM 1073 HA ASP A 80 -15.477 13.052 2.799 1.00 0.00 H ATOM 1074 HB2 ASP A 80 -16.714 11.296 4.164 1.00 0.00 H ATOM 1075 HB3 ASP A 80 -17.074 10.479 2.626 1.00 0.00 H ATOM 1076 H ASP A 80 -18.361 13.037 1.993 1.00 0.00 H ATOM 1077 N LEU A 81 -14.931 12.098 0.460 1.00 45.75 N ATOM 1078 CA LEU A 81 -14.675 11.828 -0.947 1.00 42.48 C ATOM 1079 C LEU A 81 -15.460 10.611 -1.414 1.00 40.46 C ATOM 1080 O LEU A 81 -15.963 10.573 -2.538 1.00 44.47 O ATOM 1081 CB LEU A 81 -13.184 11.596 -1.179 1.00 44.68 C ATOM 1082 CG LEU A 81 -12.787 11.103 -2.577 1.00 49.03 C ATOM 1083 CD1 LEU A 81 -13.243 12.082 -3.657 1.00 47.25 C ATOM 1084 CD2 LEU A 81 -11.281 10.877 -2.646 1.00 50.03 C ATOM 1085 HA LEU A 81 -14.998 12.696 -1.522 1.00 0.00 H ATOM 1086 HB2 LEU A 81 -12.668 12.539 -0.999 1.00 0.00 H ATOM 1087 HB3 LEU A 81 -12.846 10.854 -0.455 1.00 0.00 H ATOM 1088 HG LEU A 81 -13.289 10.154 -2.762 1.00 0.00 H ATOM 1089 HD21 LEU A 81 -10.764 11.814 -2.437 1.00 0.00 H ATOM 1090 HD22 LEU A 81 -10.993 10.129 -1.907 1.00 0.00 H ATOM 1091 HD23 LEU A 81 -11.013 10.527 -3.643 1.00 0.00 H ATOM 1092 HD11 LEU A 81 -14.327 12.184 -3.618 1.00 0.00 H ATOM 1093 HD12 LEU A 81 -12.779 13.053 -3.485 1.00 0.00 H ATOM 1094 HD13 LEU A 81 -12.947 11.705 -4.636 1.00 0.00 H ATOM 1095 H LEU A 81 -14.129 12.185 1.117 1.00 0.00 H ATOM 1096 N LEU A 82 -15.571 9.613 -0.545 1.00 34.72 N ATOM 1097 CA LEU A 82 -16.301 8.409 -0.901 1.00 32.32 C ATOM 1098 C LEU A 82 -17.741 8.726 -1.321 1.00 33.65 C ATOM 1099 O LEU A 82 -18.277 8.126 -2.272 1.00 35.73 O ATOM 1100 CB LEU A 82 -16.267 7.391 0.255 1.00 30.34 C ATOM 1101 CG LEU A 82 -16.891 6.030 -0.082 1.00 31.66 C ATOM 1102 CD1 LEU A 82 -16.105 5.319 -1.188 1.00 28.64 C ATOM 1103 CD2 LEU A 82 -16.976 5.143 1.143 1.00 33.13 C ATOM 1104 HA LEU A 82 -15.806 7.961 -1.763 1.00 0.00 H ATOM 1105 HB2 LEU A 82 -15.227 7.229 0.537 1.00 0.00 H ATOM 1106 HB3 LEU A 82 -16.809 7.815 1.100 1.00 0.00 H ATOM 1107 HG LEU A 82 -17.902 6.221 -0.441 1.00 0.00 H ATOM 1108 HD21 LEU A 82 -15.974 4.977 1.540 1.00 0.00 H ATOM 1109 HD22 LEU A 82 -17.592 5.629 1.900 1.00 0.00 H ATOM 1110 HD23 LEU A 82 -17.423 4.188 0.868 1.00 0.00 H ATOM 1111 HD11 LEU A 82 -16.107 5.935 -2.087 1.00 0.00 H ATOM 1112 HD12 LEU A 82 -15.079 5.159 -0.857 1.00 0.00 H ATOM 1113 HD13 LEU A 82 -16.572 4.358 -1.404 1.00 0.00 H ATOM 1114 H LEU A 82 -15.133 9.694 0.395 1.00 0.00 H ATOM 1115 N GLY A 83 -18.356 9.689 -0.641 1.00 35.40 N ATOM 1116 CA GLY A 83 -19.724 10.079 -0.947 1.00 37.09 C ATOM 1117 C GLY A 83 -19.826 10.779 -2.285 1.00 39.96 C ATOM 1118 O GLY A 83 -20.803 10.605 -3.006 1.00 43.95 O ATOM 1119 HA3 GLY A 83 -20.081 10.753 -0.168 1.00 0.00 H ATOM 1120 HA2 GLY A 83 -20.349 9.186 -0.968 1.00 0.00 H ATOM 1121 H GLY A 83 -17.848 10.174 0.126 1.00 0.00 H ATOM 1122 N ASP A 84 -18.811 11.571 -2.612 1.00 41.47 N ATOM 1123 CA ASP A 84 -18.706 12.210 -3.925 1.00 43.36 C ATOM 1124 C ASP A 84 -18.669 11.166 -5.038 1.00 42.71 C ATOM 1125 O ASP A 84 -19.401 11.264 -6.021 1.00 47.40 O ATOM 1126 CB ASP A 84 -17.440 13.058 -3.995 1.00 48.09 C ATOM 1127 CG ASP A 84 -17.443 14.191 -2.988 1.00 60.29 C ATOM 1128 OD1 ASP A 84 -18.529 14.493 -2.446 1.00 65.41 O ATOM 1129 OD2 ASP A 84 -16.361 14.774 -2.742 1.00 60.86 O ATOM 1130 HA ASP A 84 -19.583 12.843 -4.062 1.00 0.00 H ATOM 1131 HB2 ASP A 84 -16.579 12.418 -3.799 1.00 0.00 H ATOM 1132 HB3 ASP A 84 -17.357 13.480 -4.996 1.00 0.00 H ATOM 1133 H ASP A 84 -18.064 11.743 -1.910 1.00 0.00 H ATOM 1134 N LEU A 85 -17.815 10.164 -4.868 1.00 41.09 N ATOM 1135 CA LEU A 85 -17.669 9.105 -5.856 1.00 38.29 C ATOM 1136 C LEU A 85 -18.917 8.233 -5.970 1.00 41.61 C ATOM 1137 O LEU A 85 -19.375 7.932 -7.073 1.00 41.31 O ATOM 1138 CB LEU A 85 -16.448 8.252 -5.534 1.00 37.56 C ATOM 1139 CG LEU A 85 -15.158 9.076 -5.511 1.00 45.42 C ATOM 1140 CD1 LEU A 85 -13.943 8.219 -5.219 1.00 44.77 C ATOM 1141 CD2 LEU A 85 -14.996 9.790 -6.837 1.00 52.65 C ATOM 1142 HA LEU A 85 -17.531 9.584 -6.825 1.00 0.00 H ATOM 1143 HB2 LEU A 85 -16.589 7.792 -4.556 1.00 0.00 H ATOM 1144 HB3 LEU A 85 -16.354 7.473 -6.291 1.00 0.00 H ATOM 1145 HG LEU A 85 -15.234 9.806 -4.705 1.00 0.00 H ATOM 1146 HD21 LEU A 85 -14.946 9.055 -7.640 1.00 0.00 H ATOM 1147 HD22 LEU A 85 -15.848 10.450 -6.999 1.00 0.00 H ATOM 1148 HD23 LEU A 85 -14.078 10.377 -6.822 1.00 0.00 H ATOM 1149 HD11 LEU A 85 -14.061 7.743 -4.246 1.00 0.00 H ATOM 1150 HD12 LEU A 85 -13.846 7.454 -5.990 1.00 0.00 H ATOM 1151 HD13 LEU A 85 -13.051 8.846 -5.213 1.00 0.00 H ATOM 1152 H LEU A 85 -17.235 10.135 -4.006 1.00 0.00 H ATOM 1153 N PHE A 86 -19.469 7.834 -4.831 1.00 32.18 N ATOM 1154 CA PHE A 86 -20.620 6.938 -4.818 1.00 33.95 C ATOM 1155 C PHE A 86 -21.958 7.642 -5.128 1.00 40.15 C ATOM 1156 O PHE A 86 -22.915 7.005 -5.577 1.00 36.21 O ATOM 1157 CB PHE A 86 -20.708 6.219 -3.477 1.00 34.78 C ATOM 1158 CG PHE A 86 -19.803 5.019 -3.358 1.00 33.43 C ATOM 1159 CD1 PHE A 86 -18.857 4.735 -4.325 1.00 34.81 C ATOM 1160 CD2 PHE A 86 -19.923 4.157 -2.276 1.00 30.72 C ATOM 1161 CE1 PHE A 86 -18.032 3.612 -4.198 1.00 33.53 C ATOM 1162 CE2 PHE A 86 -19.105 3.044 -2.150 1.00 36.25 C ATOM 1163 CZ PHE A 86 -18.158 2.775 -3.121 1.00 35.17 C ATOM 1164 HA PHE A 86 -20.457 6.220 -5.622 1.00 0.00 H ATOM 1165 HB2 PHE A 86 -20.443 6.927 -2.691 1.00 0.00 H ATOM 1166 HB3 PHE A 86 -21.736 5.887 -3.334 1.00 0.00 H ATOM 1167 HD2 PHE A 86 -20.674 4.359 -1.512 1.00 0.00 H ATOM 1168 HE2 PHE A 86 -19.208 2.384 -1.289 1.00 0.00 H ATOM 1169 HZ PHE A 86 -17.514 1.900 -3.030 1.00 0.00 H ATOM 1170 HE1 PHE A 86 -17.283 3.402 -4.962 1.00 0.00 H ATOM 1171 HD1 PHE A 86 -18.753 5.389 -5.191 1.00 0.00 H ATOM 1172 H PHE A 86 -19.073 8.167 -3.929 1.00 0.00 H ATOM 1173 N GLY A 87 -22.025 8.942 -4.855 1.00 39.67 N ATOM 1174 CA GLY A 87 -23.209 9.740 -5.156 1.00 41.54 C ATOM 1175 C GLY A 87 -24.344 9.545 -4.167 1.00 44.41 C ATOM 1176 O GLY A 87 -25.522 9.652 -4.523 1.00 43.43 O ATOM 1177 HA3 GLY A 87 -23.566 9.466 -6.149 1.00 0.00 H ATOM 1178 HA2 GLY A 87 -22.925 10.792 -5.152 1.00 0.00 H ATOM 1179 H GLY A 87 -21.206 9.405 -4.412 1.00 0.00 H ATOM 1180 N VAL A 88 -23.989 9.248 -2.919 1.00 42.24 N ATOM 1181 CA VAL A 88 -24.967 9.004 -1.859 1.00 39.75 C ATOM 1182 C VAL A 88 -24.410 9.572 -0.561 1.00 41.32 C ATOM 1183 O VAL A 88 -23.197 9.728 -0.436 1.00 41.10 O ATOM 1184 CB VAL A 88 -25.233 7.491 -1.660 1.00 39.44 C ATOM 1185 CG1 VAL A 88 -25.886 6.865 -2.904 1.00 40.28 C ATOM 1186 CG2 VAL A 88 -23.947 6.759 -1.289 1.00 34.94 C ATOM 1187 HA VAL A 88 -25.907 9.480 -2.138 1.00 0.00 H ATOM 1188 HB VAL A 88 -25.936 7.384 -0.834 1.00 0.00 H ATOM 1189 HG11 VAL A 88 -26.837 7.360 -3.102 1.00 0.00 H ATOM 1190 HG12 VAL A 88 -25.225 6.990 -3.762 1.00 0.00 H ATOM 1191 HG13 VAL A 88 -26.058 5.803 -2.727 1.00 0.00 H ATOM 1192 HG21 VAL A 88 -23.215 6.886 -2.087 1.00 0.00 H ATOM 1193 HG22 VAL A 88 -23.550 7.172 -0.361 1.00 0.00 H ATOM 1194 HG23 VAL A 88 -24.160 5.698 -1.155 1.00 0.00 H ATOM 1195 H VAL A 88 -22.977 9.187 -2.689 1.00 0.00 H ATOM 1196 N PRO A 89 -25.290 9.889 0.406 1.00 43.08 N ATOM 1197 CA PRO A 89 -24.854 10.393 1.710 1.00 41.33 C ATOM 1198 C PRO A 89 -24.530 9.257 2.691 1.00 43.33 C ATOM 1199 O PRO A 89 -23.848 9.490 3.687 1.00 37.94 O ATOM 1200 CB PRO A 89 -26.082 11.157 2.197 1.00 40.88 C ATOM 1201 CG PRO A 89 -27.211 10.419 1.617 1.00 43.76 C ATOM 1202 CD PRO A 89 -26.754 10.003 0.250 1.00 43.15 C ATOM 1203 HA PRO A 89 -23.944 10.989 1.641 1.00 0.00 H ATOM 1204 HD3 PRO A 89 -27.193 9.047 -0.036 1.00 0.00 H ATOM 1205 HD2 PRO A 89 -27.011 10.756 -0.495 1.00 0.00 H ATOM 1206 HG3 PRO A 89 -28.090 11.059 1.547 1.00 0.00 H ATOM 1207 HG2 PRO A 89 -27.447 9.544 2.223 1.00 0.00 H ATOM 1208 HB2 PRO A 89 -26.135 11.154 3.286 1.00 0.00 H ATOM 1209 HB3 PRO A 89 -26.066 12.186 1.838 1.00 0.00 H ATOM 1210 N SER A 90 -25.026 8.052 2.413 1.00 38.16 N ATOM 1211 CA SER A 90 -24.790 6.897 3.273 1.00 38.05 C ATOM 1212 C SER A 90 -25.316 5.666 2.563 1.00 38.45 C ATOM 1213 O SER A 90 -26.140 5.776 1.661 1.00 40.72 O ATOM 1214 CB SER A 90 -25.527 7.051 4.603 1.00 46.48 C ATOM 1215 OG SER A 90 -26.924 6.914 4.398 1.00 46.49 O ATOM 1216 HA SER A 90 -23.722 6.811 3.475 1.00 0.00 H ATOM 1217 HB2 SER A 90 -25.317 8.036 5.021 1.00 0.00 H ATOM 1218 HB3 SER A 90 -25.186 6.283 5.297 1.00 0.00 H ATOM 1219 HG SER A 90 -27.234 7.613 3.769 1.00 0.00 H ATOM 1220 H SER A 90 -25.600 7.931 1.555 1.00 0.00 H ATOM 1221 N PHE A 91 -24.839 4.491 2.949 1.00 29.09 N ATOM 1222 CA PHE A 91 -25.347 3.264 2.347 1.00 30.37 C ATOM 1223 C PHE A 91 -25.219 2.084 3.289 1.00 34.75 C ATOM 1224 O PHE A 91 -24.483 2.141 4.278 1.00 35.55 O ATOM 1225 CB PHE A 91 -24.650 2.970 1.010 1.00 32.15 C ATOM 1226 CG PHE A 91 -23.171 2.743 1.129 1.00 33.66 C ATOM 1227 CD1 PHE A 91 -22.291 3.818 1.174 1.00 36.39 C ATOM 1228 CD2 PHE A 91 -22.655 1.451 1.167 1.00 32.34 C ATOM 1229 CE1 PHE A 91 -20.929 3.608 1.288 1.00 32.22 C ATOM 1230 CE2 PHE A 91 -21.294 1.235 1.278 1.00 31.96 C ATOM 1231 CZ PHE A 91 -20.427 2.316 1.333 1.00 32.69 C ATOM 1232 HA PHE A 91 -26.408 3.418 2.151 1.00 0.00 H ATOM 1233 HB2 PHE A 91 -25.100 2.077 0.578 1.00 0.00 H ATOM 1234 HB3 PHE A 91 -24.814 3.817 0.344 1.00 0.00 H ATOM 1235 HD2 PHE A 91 -23.332 0.599 1.109 1.00 0.00 H ATOM 1236 HE2 PHE A 91 -20.904 0.218 1.322 1.00 0.00 H ATOM 1237 HZ PHE A 91 -19.353 2.150 1.411 1.00 0.00 H ATOM 1238 HE1 PHE A 91 -20.249 4.459 1.343 1.00 0.00 H ATOM 1239 HD1 PHE A 91 -22.678 4.836 1.119 1.00 0.00 H ATOM 1240 H PHE A 91 -24.102 4.444 3.681 1.00 0.00 H ATOM 1241 N SER A 92 -25.959 1.022 2.994 1.00 33.66 N ATOM 1242 CA SER A 92 -25.861 -0.202 3.771 1.00 34.53 C ATOM 1243 C SER A 92 -24.973 -1.207 3.039 1.00 37.28 C ATOM 1244 O SER A 92 -25.159 -1.447 1.846 1.00 35.11 O ATOM 1245 CB SER A 92 -27.247 -0.800 4.004 1.00 39.10 C ATOM 1246 OG SER A 92 -27.128 -2.140 4.451 1.00 37.75 O ATOM 1247 HA SER A 92 -25.418 0.031 4.739 1.00 0.00 H ATOM 1248 HB2 SER A 92 -27.811 -0.779 3.071 1.00 0.00 H ATOM 1249 HB3 SER A 92 -27.772 -0.213 4.758 1.00 0.00 H ATOM 1250 HG SER A 92 -28.031 -2.519 4.599 1.00 0.00 H ATOM 1251 H SER A 92 -26.620 1.067 2.193 1.00 0.00 H ATOM 1252 N VAL A 93 -24.018 -1.814 3.743 1.00 32.46 N ATOM 1253 CA VAL A 93 -23.140 -2.779 3.097 1.00 30.56 C ATOM 1254 C VAL A 93 -23.881 -4.077 2.789 1.00 35.86 C ATOM 1255 O VAL A 93 -23.330 -4.972 2.146 1.00 35.84 O ATOM 1256 CB VAL A 93 -21.909 -3.121 3.961 1.00 33.89 C ATOM 1257 CG1 VAL A 93 -21.230 -1.831 4.448 1.00 32.27 C ATOM 1258 CG2 VAL A 93 -22.317 -3.981 5.132 1.00 37.24 C ATOM 1259 HA VAL A 93 -22.805 -2.307 2.173 1.00 0.00 H ATOM 1260 HB VAL A 93 -21.196 -3.680 3.355 1.00 0.00 H ATOM 1261 HG11 VAL A 93 -20.911 -1.243 3.588 1.00 0.00 H ATOM 1262 HG12 VAL A 93 -21.936 -1.253 5.044 1.00 0.00 H ATOM 1263 HG13 VAL A 93 -20.363 -2.086 5.057 1.00 0.00 H ATOM 1264 HG21 VAL A 93 -23.043 -3.442 5.741 1.00 0.00 H ATOM 1265 HG22 VAL A 93 -22.764 -4.905 4.764 1.00 0.00 H ATOM 1266 HG23 VAL A 93 -21.438 -4.215 5.733 1.00 0.00 H ATOM 1267 H VAL A 93 -23.900 -1.598 4.754 1.00 0.00 H ATOM 1268 N LYS A 94 -25.116 -4.191 3.267 1.00 31.29 N ATOM 1269 CA LYS A 94 -25.912 -5.387 3.014 1.00 36.49 C ATOM 1270 C LYS A 94 -26.604 -5.380 1.646 1.00 34.34 C ATOM 1271 O LYS A 94 -27.151 -6.402 1.234 1.00 35.29 O ATOM 1272 CB LYS A 94 -26.977 -5.567 4.100 1.00 41.27 C ATOM 1273 CG LYS A 94 -26.420 -5.821 5.483 1.00 50.32 C ATOM 1274 CD LYS A 94 -25.475 -7.005 5.475 1.00 57.90 C ATOM 1275 CE LYS A 94 -25.087 -7.372 6.899 1.00 66.32 C ATOM 1276 NZ LYS A 94 -26.275 -7.284 7.786 1.00 70.54 N ATOM 1277 HA LYS A 94 -25.206 -6.217 3.026 1.00 0.00 H ATOM 1278 HB2 LYS A 94 -27.583 -4.662 4.137 1.00 0.00 H ATOM 1279 HB3 LYS A 94 -27.606 -6.413 3.824 1.00 0.00 H ATOM 1280 HG2 LYS A 94 -25.881 -4.935 5.819 1.00 0.00 H ATOM 1281 HG3 LYS A 94 -27.243 -6.025 6.168 1.00 0.00 H ATOM 1282 HD2 LYS A 94 -25.967 -7.856 5.004 1.00 0.00 H ATOM 1283 HD3 LYS A 94 -24.578 -6.747 4.911 1.00 0.00 H ATOM 1284 HE2 LYS A 94 -24.319 -6.684 7.253 1.00 0.00 H ATOM 1285 HE3 LYS A 94 -24.697 -8.390 6.917 1.00 0.00 H ATOM 1286 HZ1 LYS A 94 -26.646 -6.313 7.771 1.00 0.00 H ATOM 1287 HZ2 LYS A 94 -27.007 -7.942 7.449 1.00 0.00 H ATOM 1288 HZ3 LYS A 94 -26.001 -7.536 8.757 1.00 0.00 H ATOM 1289 H LYS A 94 -25.521 -3.416 3.830 1.00 0.00 H ATOM 1290 N GLU A 95 -26.615 -4.228 0.977 1.00 35.92 N ATOM 1291 CA GLU A 95 -27.315 -4.083 -0.300 1.00 38.49 C ATOM 1292 C GLU A 95 -26.293 -4.015 -1.429 1.00 35.67 C ATOM 1293 O GLU A 95 -25.885 -2.933 -1.868 1.00 31.94 O ATOM 1294 CB GLU A 95 -28.196 -2.834 -0.299 1.00 36.43 C ATOM 1295 CG GLU A 95 -29.206 -2.765 0.874 1.00 40.56 C ATOM 1296 CD GLU A 95 -30.213 -3.919 0.882 1.00 55.25 C ATOM 1297 OE1 GLU A 95 -30.453 -4.523 -0.188 1.00 56.74 O ATOM 1298 OE2 GLU A 95 -30.773 -4.230 1.963 1.00 60.68 O ATOM 1299 HA GLU A 95 -27.963 -4.947 -0.450 1.00 0.00 H ATOM 1300 HB2 GLU A 95 -27.548 -1.959 -0.243 1.00 0.00 H ATOM 1301 HB3 GLU A 95 -28.756 -2.811 -1.234 1.00 0.00 H ATOM 1302 HG2 GLU A 95 -28.649 -2.786 1.811 1.00 0.00 H ATOM 1303 HG3 GLU A 95 -29.756 -1.827 0.801 1.00 0.00 H ATOM 1304 H GLU A 95 -26.112 -3.409 1.373 1.00 0.00 H ATOM 1305 N HIS A 96 -25.888 -5.187 -1.899 1.00 35.97 N ATOM 1306 CA HIS A 96 -24.753 -5.286 -2.804 1.00 35.64 C ATOM 1307 C HIS A 96 -24.970 -4.708 -4.214 1.00 32.19 C ATOM 1308 O HIS A 96 -24.025 -4.203 -4.820 1.00 33.24 O ATOM 1309 CB HIS A 96 -24.288 -6.738 -2.882 1.00 31.18 C ATOM 1310 CG HIS A 96 -23.798 -7.266 -1.571 1.00 32.91 C ATOM 1311 ND1 HIS A 96 -23.352 -8.560 -1.406 1.00 35.07 N ATOM 1312 CD2 HIS A 96 -23.701 -6.679 -0.354 1.00 34.70 C ATOM 1313 CE1 HIS A 96 -22.985 -8.741 -0.151 1.00 37.78 C ATOM 1314 NE2 HIS A 96 -23.189 -7.615 0.511 1.00 32.69 N ATOM 1315 HA HIS A 96 -23.981 -4.650 -2.372 1.00 0.00 H ATOM 1316 HB2 HIS A 96 -25.124 -7.353 -3.214 1.00 0.00 H ATOM 1317 HB3 HIS A 96 -23.478 -6.805 -3.608 1.00 0.00 H ATOM 1318 HD2 HIS A 96 -23.978 -5.654 -0.107 1.00 0.00 H ATOM 1319 HE1 HIS A 96 -22.582 -9.663 0.268 1.00 0.00 H ATOM 1320 H HIS A 96 -26.391 -6.052 -1.615 1.00 0.00 H ATOM 1321 N ARG A 97 -26.199 -4.800 -4.726 1.00 31.58 N ATOM 1322 CA ARG A 97 -26.506 -4.264 -6.065 1.00 36.59 C ATOM 1323 C ARG A 97 -26.098 -2.798 -6.149 1.00 37.87 C ATOM 1324 O ARG A 97 -25.474 -2.360 -7.112 1.00 38.36 O ATOM 1325 CB ARG A 97 -27.996 -4.394 -6.404 1.00 39.29 C ATOM 1326 CG ARG A 97 -28.436 -3.602 -7.663 1.00 37.80 C ATOM 1327 CD ARG A 97 -27.649 -4.024 -8.910 1.00 36.08 C ATOM 1328 NE ARG A 97 -28.062 -3.338 -10.141 1.00 34.51 N ATOM 1329 CZ ARG A 97 -27.377 -3.409 -11.282 1.00 34.32 C ATOM 1330 NH1 ARG A 97 -26.268 -4.129 -11.342 1.00 33.38 N ATOM 1331 NH2 ARG A 97 -27.794 -2.762 -12.360 1.00 35.97 N ATOM 1332 HA ARG A 97 -25.939 -4.851 -6.787 1.00 0.00 H ATOM 1333 HB2 ARG A 97 -28.218 -5.448 -6.569 1.00 0.00 H ATOM 1334 HB3 ARG A 97 -28.573 -4.031 -5.553 1.00 0.00 H ATOM 1335 HG2 ARG A 97 -29.497 -3.780 -7.839 1.00 0.00 H ATOM 1336 HG3 ARG A 97 -28.272 -2.539 -7.486 1.00 0.00 H ATOM 1337 HD2 ARG A 97 -27.784 -5.096 -9.054 1.00 0.00 H ATOM 1338 HD3 ARG A 97 -26.594 -3.812 -8.737 1.00 0.00 H ATOM 1339 HE ARG A 97 -28.932 -2.769 -10.121 1.00 0.00 H ATOM 1340 HH12 ARG A 97 -25.732 -4.186 -12.232 1.00 0.00 H ATOM 1341 HH11 ARG A 97 -25.932 -4.638 -10.500 1.00 0.00 H ATOM 1342 HH22 ARG A 97 -27.252 -2.824 -13.246 1.00 0.00 H ATOM 1343 HH21 ARG A 97 -28.663 -2.192 -12.321 1.00 0.00 H ATOM 1344 H ARG A 97 -26.952 -5.257 -4.172 1.00 0.00 H ATOM 1345 N LYS A 98 -26.446 -2.050 -5.112 1.00 37.47 N ATOM 1346 CA LYS A 98 -26.169 -0.624 -5.063 1.00 33.91 C ATOM 1347 C LYS A 98 -24.657 -0.409 -4.973 1.00 33.82 C ATOM 1348 O LYS A 98 -24.122 0.498 -5.598 1.00 35.87 O ATOM 1349 CB LYS A 98 -26.926 0.014 -3.891 1.00 36.22 C ATOM 1350 CG LYS A 98 -26.764 1.517 -3.742 1.00 40.33 C ATOM 1351 CD LYS A 98 -27.439 2.286 -4.863 1.00 52.22 C ATOM 1352 CE LYS A 98 -27.693 3.738 -4.443 1.00 61.87 C ATOM 1353 NZ LYS A 98 -27.900 4.633 -5.610 1.00 68.64 N ATOM 1354 HA LYS A 98 -26.520 -0.135 -5.972 1.00 0.00 H ATOM 1355 HB2 LYS A 98 -27.987 -0.197 -4.023 1.00 0.00 H ATOM 1356 HB3 LYS A 98 -26.575 -0.454 -2.971 1.00 0.00 H ATOM 1357 HG2 LYS A 98 -27.203 1.824 -2.793 1.00 0.00 H ATOM 1358 HG3 LYS A 98 -25.701 1.757 -3.744 1.00 0.00 H ATOM 1359 HD2 LYS A 98 -26.797 2.274 -5.743 1.00 0.00 H ATOM 1360 HD3 LYS A 98 -28.390 1.810 -5.102 1.00 0.00 H ATOM 1361 HE2 LYS A 98 -26.834 4.095 -3.875 1.00 0.00 H ATOM 1362 HE3 LYS A 98 -28.582 3.771 -3.813 1.00 0.00 H ATOM 1363 HZ1 LYS A 98 -27.053 4.615 -6.214 1.00 0.00 H ATOM 1364 HZ2 LYS A 98 -28.723 4.305 -6.155 1.00 0.00 H ATOM 1365 HZ3 LYS A 98 -28.068 5.603 -5.276 1.00 0.00 H ATOM 1366 H LYS A 98 -26.932 -2.497 -4.309 1.00 0.00 H ATOM 1367 N ILE A 99 -23.957 -1.263 -4.234 1.00 33.89 N ATOM 1368 CA ILE A 99 -22.503 -1.129 -4.125 1.00 29.12 C ATOM 1369 C ILE A 99 -21.847 -1.358 -5.496 1.00 32.09 C ATOM 1370 O ILE A 99 -20.975 -0.606 -5.935 1.00 33.39 O ATOM 1371 CB ILE A 99 -21.937 -2.090 -3.080 1.00 30.23 C ATOM 1372 CG1 ILE A 99 -22.421 -1.681 -1.683 1.00 33.28 C ATOM 1373 CG2 ILE A 99 -20.402 -2.089 -3.108 1.00 30.29 C ATOM 1374 CD1 ILE A 99 -22.069 -2.695 -0.628 1.00 36.64 C ATOM 1375 HA ILE A 99 -22.275 -0.115 -3.795 1.00 0.00 H ATOM 1376 HB ILE A 99 -22.289 -3.095 -3.314 1.00 0.00 H ATOM 1377 HG12 ILE A 99 -21.961 -0.728 -1.419 1.00 0.00 H ATOM 1378 HG13 ILE A 99 -23.505 -1.565 -1.709 1.00 0.00 H ATOM 1379 HD11 ILE A 99 -22.531 -3.651 -0.876 1.00 0.00 H ATOM 1380 HD12 ILE A 99 -20.986 -2.813 -0.586 1.00 0.00 H ATOM 1381 HD13 ILE A 99 -22.436 -2.353 0.340 1.00 0.00 H ATOM 1382 HG21 ILE A 99 -20.058 -2.401 -4.094 1.00 0.00 H ATOM 1383 HG22 ILE A 99 -20.037 -1.084 -2.895 1.00 0.00 H ATOM 1384 HG23 ILE A 99 -20.026 -2.781 -2.355 1.00 0.00 H ATOM 1385 H ILE A 99 -24.445 -2.031 -3.730 1.00 0.00 H ATOM 1386 N TYR A 100 -22.298 -2.401 -6.176 1.00 29.86 N ATOM 1387 CA TYR A 100 -21.888 -2.664 -7.551 1.00 31.95 C ATOM 1388 C TYR A 100 -22.067 -1.449 -8.464 1.00 31.95 C ATOM 1389 O TYR A 100 -21.137 -1.039 -9.154 1.00 34.36 O ATOM 1390 CB TYR A 100 -22.715 -3.832 -8.075 1.00 35.55 C ATOM 1391 CG TYR A 100 -22.341 -4.332 -9.441 1.00 33.02 C ATOM 1392 CD1 TYR A 100 -22.892 -3.773 -10.590 1.00 37.31 C ATOM 1393 CD2 TYR A 100 -21.468 -5.386 -9.582 1.00 35.49 C ATOM 1394 CE1 TYR A 100 -22.560 -4.250 -11.841 1.00 43.88 C ATOM 1395 CE2 TYR A 100 -21.137 -5.877 -10.833 1.00 41.79 C ATOM 1396 CZ TYR A 100 -21.679 -5.306 -11.953 1.00 45.89 C ATOM 1397 OH TYR A 100 -21.330 -5.808 -13.192 1.00 51.35 O ATOM 1398 HA TYR A 100 -20.824 -2.899 -7.553 1.00 0.00 H ATOM 1399 HB3 TYR A 100 -23.758 -3.517 -8.107 1.00 0.00 H ATOM 1400 HB2 TYR A 100 -22.608 -4.660 -7.374 1.00 0.00 H ATOM 1401 HD2 TYR A 100 -21.030 -5.842 -8.694 1.00 0.00 H ATOM 1402 HE2 TYR A 100 -20.447 -6.716 -10.926 1.00 0.00 H ATOM 1403 HE1 TYR A 100 -22.990 -3.796 -12.734 1.00 0.00 H ATOM 1404 HD1 TYR A 100 -23.596 -2.946 -10.500 1.00 0.00 H ATOM 1405 HH TYR A 100 -21.591 -6.762 -13.246 1.00 0.00 H ATOM 1406 H TYR A 100 -22.965 -3.053 -5.716 1.00 0.00 H ATOM 1407 N THR A 101 -23.258 -0.861 -8.477 1.00 32.22 N ATOM 1408 CA THR A 101 -23.485 0.254 -9.382 1.00 34.45 C ATOM 1409 C THR A 101 -22.697 1.492 -8.966 1.00 36.81 C ATOM 1410 O THR A 101 -22.199 2.221 -9.818 1.00 39.68 O ATOM 1411 CB THR A 101 -24.977 0.596 -9.538 1.00 37.73 C ATOM 1412 OG1 THR A 101 -25.519 0.943 -8.267 1.00 40.31 O ATOM 1413 CG2 THR A 101 -25.745 -0.599 -10.090 1.00 36.22 C ATOM 1414 HA THR A 101 -23.121 -0.074 -10.356 1.00 0.00 H ATOM 1415 HB THR A 101 -25.071 1.433 -10.230 1.00 0.00 H ATOM 1416 HG1 THR A 101 -26.479 1.163 -8.368 1.00 0.00 H ATOM 1417 HG23 THR A 101 -25.338 -0.873 -11.063 1.00 0.00 H ATOM 1418 HG21 THR A 101 -25.647 -1.440 -9.404 1.00 0.00 H ATOM 1419 HG22 THR A 101 -26.797 -0.335 -10.196 1.00 0.00 H ATOM 1420 H THR A 101 -24.017 -1.193 -7.849 1.00 0.00 H ATOM 1421 N MET A 102 -22.573 1.723 -7.662 1.00 31.55 N ATOM 1422 CA MET A 102 -21.844 2.892 -7.158 1.00 32.60 C ATOM 1423 C MET A 102 -20.372 2.808 -7.522 1.00 37.22 C ATOM 1424 O MET A 102 -19.765 3.796 -7.941 1.00 39.65 O ATOM 1425 CB MET A 102 -22.007 3.024 -5.634 1.00 31.36 C ATOM 1426 CG MET A 102 -23.402 3.468 -5.235 1.00 35.03 C ATOM 1427 SD MET A 102 -23.526 3.803 -3.478 1.00 40.90 S ATOM 1428 CE MET A 102 -22.942 2.283 -2.752 1.00 32.95 C ATOM 1429 HA MET A 102 -22.268 3.779 -7.629 1.00 0.00 H ATOM 1430 HB2 MET A 102 -21.803 2.056 -5.175 1.00 0.00 H ATOM 1431 HB3 MET A 102 -21.288 3.757 -5.267 1.00 0.00 H ATOM 1432 HG2 MET A 102 -24.109 2.680 -5.494 1.00 0.00 H ATOM 1433 HG3 MET A 102 -23.653 4.375 -5.785 1.00 0.00 H ATOM 1434 HE1 MET A 102 -23.581 1.460 -3.072 1.00 0.00 H ATOM 1435 HE2 MET A 102 -21.918 2.097 -3.076 1.00 0.00 H ATOM 1436 HE3 MET A 102 -22.971 2.366 -1.666 1.00 0.00 H ATOM 1437 H MET A 102 -23.002 1.060 -6.985 1.00 0.00 H ATOM 1438 N ILE A 103 -19.791 1.627 -7.357 1.00 34.48 N ATOM 1439 CA ILE A 103 -18.416 1.405 -7.798 1.00 32.28 C ATOM 1440 C ILE A 103 -18.256 1.561 -9.312 1.00 38.56 C ATOM 1441 O ILE A 103 -17.365 2.273 -9.779 1.00 39.70 O ATOM 1442 CB ILE A 103 -17.905 0.023 -7.363 1.00 33.09 C ATOM 1443 CG1 ILE A 103 -17.809 -0.037 -5.843 1.00 30.39 C ATOM 1444 CG2 ILE A 103 -16.538 -0.256 -7.971 1.00 35.11 C ATOM 1445 CD1 ILE A 103 -17.482 -1.419 -5.348 1.00 34.46 C ATOM 1446 HA ILE A 103 -17.815 2.175 -7.316 1.00 0.00 H ATOM 1447 HB ILE A 103 -18.607 -0.733 -7.714 1.00 0.00 H ATOM 1448 HG12 ILE A 103 -17.028 0.648 -5.513 1.00 0.00 H ATOM 1449 HG13 ILE A 103 -18.764 0.271 -5.418 1.00 0.00 H ATOM 1450 HD11 ILE A 103 -18.261 -2.111 -5.666 1.00 0.00 H ATOM 1451 HD12 ILE A 103 -16.524 -1.734 -5.761 1.00 0.00 H ATOM 1452 HD13 ILE A 103 -17.425 -1.410 -4.260 1.00 0.00 H ATOM 1453 HG21 ILE A 103 -16.614 -0.232 -9.058 1.00 0.00 H ATOM 1454 HG22 ILE A 103 -15.832 0.504 -7.638 1.00 0.00 H ATOM 1455 HG23 ILE A 103 -16.193 -1.239 -7.651 1.00 0.00 H ATOM 1456 H ILE A 103 -20.320 0.851 -6.909 1.00 0.00 H ATOM 1457 N TYR A 104 -19.125 0.919 -10.084 1.00 36.00 N ATOM 1458 CA TYR A 104 -18.966 0.951 -11.529 1.00 37.28 C ATOM 1459 C TYR A 104 -19.092 2.357 -12.133 1.00 42.61 C ATOM 1460 O TYR A 104 -18.621 2.595 -13.238 1.00 42.37 O ATOM 1461 CB TYR A 104 -19.901 -0.050 -12.212 1.00 42.84 C ATOM 1462 CG TYR A 104 -19.208 -1.341 -12.598 1.00 42.19 C ATOM 1463 CD1 TYR A 104 -18.507 -1.440 -13.793 1.00 45.15 C ATOM 1464 CD2 TYR A 104 -19.249 -2.457 -11.770 1.00 40.10 C ATOM 1465 CE1 TYR A 104 -17.861 -2.603 -14.151 1.00 43.23 C ATOM 1466 CE2 TYR A 104 -18.607 -3.632 -12.126 1.00 40.15 C ATOM 1467 CZ TYR A 104 -17.913 -3.695 -13.317 1.00 44.76 C ATOM 1468 OH TYR A 104 -17.267 -4.856 -13.680 1.00 48.34 O ATOM 1469 HA TYR A 104 -17.939 0.644 -11.726 1.00 0.00 H ATOM 1470 HB3 TYR A 104 -20.304 0.411 -13.114 1.00 0.00 H ATOM 1471 HB2 TYR A 104 -20.717 -0.285 -11.529 1.00 0.00 H ATOM 1472 HD2 TYR A 104 -19.794 -2.407 -10.827 1.00 0.00 H ATOM 1473 HE2 TYR A 104 -18.650 -4.501 -11.470 1.00 0.00 H ATOM 1474 HE1 TYR A 104 -17.311 -2.657 -15.091 1.00 0.00 H ATOM 1475 HD1 TYR A 104 -18.467 -0.580 -14.461 1.00 0.00 H ATOM 1476 HH TYR A 104 -17.926 -5.591 -13.749 1.00 0.00 H ATOM 1477 H TYR A 104 -19.916 0.396 -9.657 1.00 0.00 H ATOM 1478 N ARG A 105 -19.709 3.286 -11.404 1.00 43.31 N ATOM 1479 CA ARG A 105 -19.784 4.686 -11.837 1.00 47.11 C ATOM 1480 C ARG A 105 -18.382 5.239 -12.040 1.00 42.01 C ATOM 1481 O ARG A 105 -18.165 6.130 -12.863 1.00 46.94 O ATOM 1482 CB ARG A 105 -20.477 5.536 -10.772 1.00 51.04 C ATOM 1483 CG ARG A 105 -21.993 5.550 -10.834 1.00 63.71 C ATOM 1484 CD ARG A 105 -22.594 6.004 -9.494 1.00 64.72 C ATOM 1485 NE ARG A 105 -21.939 7.200 -8.970 1.00 67.62 N ATOM 1486 CZ ARG A 105 -22.308 8.447 -9.258 1.00 68.08 C ATOM 1487 NH1 ARG A 105 -23.336 8.665 -10.062 1.00 63.99 N ATOM 1488 NH2 ARG A 105 -21.652 9.476 -8.736 1.00 68.34 N ATOM 1489 HA ARG A 105 -20.348 4.723 -12.769 1.00 0.00 H ATOM 1490 HB2 ARG A 105 -20.184 5.155 -9.794 1.00 0.00 H ATOM 1491 HB3 ARG A 105 -20.126 6.562 -10.880 1.00 0.00 H ATOM 1492 HG2 ARG A 105 -22.312 6.236 -11.619 1.00 0.00 H ATOM 1493 HG3 ARG A 105 -22.350 4.546 -11.063 1.00 0.00 H ATOM 1494 HD2 ARG A 105 -22.484 5.198 -8.769 1.00 0.00 H ATOM 1495 HD3 ARG A 105 -23.653 6.219 -9.639 1.00 0.00 H ATOM 1496 HE ARG A 105 -21.130 7.069 -8.329 1.00 0.00 H ATOM 1497 HH12 ARG A 105 -23.623 9.639 -10.286 1.00 0.00 H ATOM 1498 HH11 ARG A 105 -23.857 7.862 -10.470 1.00 0.00 H ATOM 1499 HH22 ARG A 105 -21.944 10.448 -8.964 1.00 0.00 H ATOM 1500 HH21 ARG A 105 -20.846 9.310 -8.099 1.00 0.00 H ATOM 1501 H ARG A 105 -20.150 3.011 -10.503 1.00 0.00 H ATOM 1502 N ASN A 106 -17.445 4.698 -11.266 1.00 38.60 N ATOM 1503 CA ASN A 106 -16.068 5.167 -11.222 1.00 40.71 C ATOM 1504 C ASN A 106 -15.050 4.259 -11.915 1.00 42.78 C ATOM 1505 O ASN A 106 -13.860 4.329 -11.617 1.00 40.31 O ATOM 1506 CB ASN A 106 -15.660 5.318 -9.759 1.00 41.56 C ATOM 1507 CG ASN A 106 -16.524 6.314 -9.025 1.00 43.09 C ATOM 1508 OD1 ASN A 106 -16.260 7.507 -9.063 1.00 44.09 O ATOM 1509 ND2 ASN A 106 -17.571 5.828 -8.358 1.00 43.39 N ATOM 1510 HA ASN A 106 -16.052 6.109 -11.770 1.00 0.00 H ATOM 1511 HB2 ASN A 106 -15.747 4.349 -9.268 1.00 0.00 H ATOM 1512 HB3 ASN A 106 -14.624 5.653 -9.716 1.00 0.00 H ATOM 1513 HD22 ASN A 106 -17.756 4.805 -8.354 1.00 0.00 H ATOM 1514 HD21 ASN A 106 -18.203 6.472 -7.841 1.00 0.00 H ATOM 1515 H ASN A 106 -17.711 3.896 -10.659 1.00 0.00 H ATOM 1516 N LEU A 107 -15.507 3.418 -12.839 1.00 41.91 N ATOM 1517 CA LEU A 107 -14.632 2.431 -13.474 1.00 40.92 C ATOM 1518 C LEU A 107 -14.843 2.418 -14.964 1.00 49.04 C ATOM 1519 O LEU A 107 -15.879 2.868 -15.449 1.00 53.56 O ATOM 1520 CB LEU A 107 -14.954 1.018 -12.976 1.00 44.28 C ATOM 1521 CG LEU A 107 -14.777 0.602 -11.524 1.00 47.25 C ATOM 1522 CD1 LEU A 107 -15.282 -0.815 -11.363 1.00 46.76 C ATOM 1523 CD2 LEU A 107 -13.331 0.708 -11.062 1.00 47.12 C ATOM 1524 HA LEU A 107 -13.608 2.708 -13.224 1.00 0.00 H ATOM 1525 HB2 LEU A 107 -16.003 0.845 -13.215 1.00 0.00 H ATOM 1526 HB3 LEU A 107 -14.333 0.341 -13.563 1.00 0.00 H ATOM 1527 HG LEU A 107 -15.352 1.284 -10.898 1.00 0.00 H ATOM 1528 HD21 LEU A 107 -12.706 0.060 -11.677 1.00 0.00 H ATOM 1529 HD22 LEU A 107 -12.994 1.740 -11.160 1.00 0.00 H ATOM 1530 HD23 LEU A 107 -13.261 0.399 -10.019 1.00 0.00 H ATOM 1531 HD11 LEU A 107 -16.337 -0.857 -11.636 1.00 0.00 H ATOM 1532 HD12 LEU A 107 -14.711 -1.479 -12.012 1.00 0.00 H ATOM 1533 HD13 LEU A 107 -15.161 -1.127 -10.326 1.00 0.00 H ATOM 1534 H LEU A 107 -16.508 3.463 -13.116 1.00 0.00 H ATOM 1535 N VAL A 108 -13.849 1.900 -15.685 1.00 52.69 N ATOM 1536 CA VAL A 108 -14.043 1.399 -17.050 1.00 58.60 C ATOM 1537 C VAL A 108 -13.463 -0.020 -17.135 1.00 60.42 C ATOM 1538 O VAL A 108 -12.468 -0.334 -16.482 1.00 54.12 O ATOM 1539 CB VAL A 108 -13.442 2.324 -18.119 1.00 58.91 C ATOM 1540 CG1 VAL A 108 -14.194 3.635 -18.155 1.00 61.36 C ATOM 1541 CG2 VAL A 108 -11.975 2.573 -17.861 1.00 62.45 C ATOM 1542 HA VAL A 108 -15.112 1.376 -17.263 1.00 0.00 H ATOM 1543 HB VAL A 108 -13.537 1.831 -19.086 1.00 0.00 H ATOM 1544 HG11 VAL A 108 -15.241 3.446 -18.393 1.00 0.00 H ATOM 1545 HG12 VAL A 108 -14.123 4.120 -17.181 1.00 0.00 H ATOM 1546 HG13 VAL A 108 -13.758 4.282 -18.917 1.00 0.00 H ATOM 1547 HG21 VAL A 108 -11.854 3.043 -16.885 1.00 0.00 H ATOM 1548 HG22 VAL A 108 -11.438 1.624 -17.878 1.00 0.00 H ATOM 1549 HG23 VAL A 108 -11.578 3.231 -18.634 1.00 0.00 H ATOM 1550 H VAL A 108 -12.899 1.849 -15.264 1.00 0.00 H ATOM 1551 N VAL A 109 -14.117 -0.892 -17.892 1.00 66.04 N ATOM 1552 CA VAL A 109 -13.659 -2.275 -18.011 1.00 67.92 C ATOM 1553 C VAL A 109 -12.479 -2.347 -18.981 1.00 68.20 C ATOM 1554 O VAL A 109 -12.467 -1.647 -19.998 1.00 69.48 O ATOM 1555 CB VAL A 109 -14.815 -3.221 -18.434 1.00 62.45 C ATOM 1556 CG1 VAL A 109 -14.294 -4.456 -19.150 1.00 65.23 C ATOM 1557 CG2 VAL A 109 -15.637 -3.615 -17.214 1.00 55.43 C ATOM 1558 HA VAL A 109 -13.320 -2.618 -17.034 1.00 0.00 H ATOM 1559 HB VAL A 109 -15.453 -2.683 -19.135 1.00 0.00 H ATOM 1560 HG11 VAL A 109 -13.751 -4.153 -20.045 1.00 0.00 H ATOM 1561 HG12 VAL A 109 -13.625 -5.004 -18.486 1.00 0.00 H ATOM 1562 HG13 VAL A 109 -15.133 -5.093 -19.430 1.00 0.00 H ATOM 1563 HG21 VAL A 109 -14.997 -4.128 -16.496 1.00 0.00 H ATOM 1564 HG22 VAL A 109 -16.055 -2.719 -16.754 1.00 0.00 H ATOM 1565 HG23 VAL A 109 -16.445 -4.279 -17.521 1.00 0.00 H ATOM 1566 H VAL A 109 -14.967 -0.587 -18.408 1.00 0.00 H ATOM 1567 N VAL A 110 -11.478 -3.164 -18.646 1.00 61.09 N ATOM 1568 CA VAL A 110 -10.296 -3.310 -19.488 1.00 64.22 C ATOM 1569 C VAL A 110 -10.580 -4.106 -20.767 1.00 67.11 C ATOM 1570 O VAL A 110 -11.295 -5.106 -20.742 1.00 66.97 O ATOM 1571 CB VAL A 110 -9.124 -3.954 -18.719 1.00 59.49 C ATOM 1572 CG1 VAL A 110 -7.922 -4.150 -19.656 1.00 66.28 C ATOM 1573 CG2 VAL A 110 -8.739 -3.097 -17.528 1.00 53.29 C ATOM 1574 HA VAL A 110 -10.011 -2.299 -19.780 1.00 0.00 H ATOM 1575 HB VAL A 110 -9.439 -4.930 -18.350 1.00 0.00 H ATOM 1576 HG11 VAL A 110 -8.209 -4.801 -20.482 1.00 0.00 H ATOM 1577 HG12 VAL A 110 -7.606 -3.183 -20.047 1.00 0.00 H ATOM 1578 HG13 VAL A 110 -7.101 -4.605 -19.102 1.00 0.00 H ATOM 1579 HG21 VAL A 110 -8.436 -2.109 -17.875 1.00 0.00 H ATOM 1580 HG22 VAL A 110 -9.594 -3.002 -16.859 1.00 0.00 H ATOM 1581 HG23 VAL A 110 -7.911 -3.566 -16.997 1.00 0.00 H ATOM 1582 H VAL A 110 -11.542 -3.710 -17.763 1.00 0.00 H TER 1583 VAL A 110 HETATM 1584 O HOH 1 -10.903 -4.660 3.331 1.00 30.91 O HETATM 1585 O HOH 2 -2.975 -1.641 1.395 1.00 33.35 O HETATM 1586 O HOH 3 -25.430 3.975 16.673 1.00 45.62 O HETATM 1587 O HOH 4 -17.903 -7.158 -12.242 1.00 40.76 O HETATM 1588 O HOH 5 -2.459 -3.119 -5.431 1.00 35.81 O HETATM 1589 O HOH 6 -25.613 -0.412 -0.660 1.00 34.27 O HETATM 1590 O HOH 7 -29.966 -4.979 -2.867 1.00 43.42 O HETATM 1591 O HOH 8 -12.965 -8.486 -1.306 1.00 44.62 O HETATM 1592 O HOH 9 -22.462 -10.493 -3.182 1.00 44.71 O HETATM 1593 O HOH 10 -13.644 8.154 -9.972 1.00 51.78 O HETATM 1594 O HOH 11 -20.044 -12.791 -14.465 1.00 48.43 O HETATM 1595 O HOH 12 -20.533 -17.211 -13.699 1.00 51.91 O HETATM 1596 O HOH 13 -26.355 -14.456 -7.108 1.00 46.60 O HETATM 1597 O HOH 14 -13.576 10.222 8.679 1.00 44.26 O HETATM 1598 O HOH 15 -22.108 -7.596 5.859 1.00 45.12 O HETATM 1599 O HOH 16 -20.131 -17.225 -9.864 1.00 52.63 O HETATM 1600 O HOH 17 -25.364 3.881 -8.301 1.00 45.95 O HETATM 1601 O HOH 18 -29.326 -2.338 -3.745 1.00 40.32 O HETATM 1602 O HOH 19 -12.524 10.734 -11.694 1.00 56.95 O HETATM 1603 O HOH 20 -12.763 12.930 2.195 1.00 50.77 O HETATM 1604 O HOH 21 -20.358 -4.389 8.834 1.00 57.50 O HETATM 1605 O HOH 22 -22.740 -8.059 3.266 1.00 40.92 O HETATM 1606 O HOH 23 -5.602 9.276 -10.043 1.00 51.91 O HETATM 1607 O HOH 24 -3.696 7.964 -8.490 1.00 54.49 O HETATM 1608 O HOH 25 -23.090 2.272 -12.301 1.00 44.83 O HETATM 1609 O HOH 26 -4.103 -5.915 -12.417 1.00 54.30 O HETATM 1610 O HOH 27 -28.383 0.475 -7.846 1.00 47.69 O HETATM 1611 O HOH 28 -12.332 -8.505 1.063 1.00 57.01 O HETATM 1612 O HOH 29 -1.785 7.152 -10.116 1.00 67.99 O HETATM 1613 O HOH 30 -23.310 -3.700 13.975 1.00 65.06 O HETATM 1614 O HOH 31 -5.159 -0.755 6.099 1.00 45.85 O HETATM 1615 O HOH 32 -31.683 -6.727 2.993 1.00 64.69 O HETATM 1616 O HOH 33 -3.455 8.560 -3.780 1.00 49.28 O HETATM 1617 O HOH 34 -22.949 -17.725 -0.414 1.00 67.04 O HETATM 1618 O HOH 35 -27.419 9.743 4.833 1.00 60.29 O HETATM 1619 O HOH 36 -14.480 -9.959 -1.987 1.00 61.28 O HETATM 1620 O HOH 37 -4.742 1.243 4.307 1.00 52.66 O HETATM 1621 O HOH 38 -19.887 -11.458 -5.446 1.00 53.59 O HETATM 1622 O HOH 39 -1.182 7.661 -2.580 1.00 52.67 O HETATM 1623 O HOH 40 -18.688 -5.157 10.706 1.00 52.48 O HETATM 1624 O HOH 41 -25.125 6.290 -6.931 1.00 51.03 O HETATM 1625 O HOH 42 -25.123 -9.521 3.432 1.00 60.46 O HETATM 1626 O HOH 43 -24.396 -16.357 -6.626 1.00 58.75 O HETATM 1627 O HOH 44 -8.209 9.444 -0.214 1.00 52.86 O HETATM 1628 O HOH 45 -17.674 -18.489 -10.047 1.00 69.40 O HETATM 1629 O HOH 46 -5.186 8.840 -12.630 1.00 59.56 O HETATM 1630 O HOH 47 -25.243 -4.773 11.598 1.00 60.94 O HETATM 1631 O HOH 48 -27.908 -9.486 3.844 1.00 61.37 O HETATM 1632 O HOH 49 -20.409 -9.617 2.394 1.00 57.87 O HETATM 1633 O HOH 50 -11.972 -9.469 -16.902 1.00 51.22 O HETATM 1634 O HOH 51 -27.617 1.064 -0.020 1.00 52.75 O HETATM 1635 O HOH 52 -6.895 -0.974 -20.712 1.00 72.31 O HETATM 1636 O HOH 53 -16.556 18.828 7.143 1.00 73.91 O HETATM 1637 O HOH 54 -30.252 -0.464 -2.159 1.00 45.82 O HETATM 1638 O HOH 55 -2.628 8.965 -6.201 1.00 63.06 O HETATM 1639 O HOH 56 -19.811 -6.400 6.851 1.00 51.81 O HETATM 1640 O HOH 57 -27.579 4.051 -0.440 1.00 49.53 O HETATM 1641 O HOH 58 -5.324 1.867 7.052 1.00 60.15 O HETATM 1642 O HOH 59 -17.983 -5.525 -16.215 1.00 57.06 O HETATM 1643 O HOH 60 -10.151 10.806 1.224 1.00 59.93 O HETATM 1644 O HOH 61 -18.182 -18.514 -14.427 1.00 61.57 O HETATM 1645 O HOH 62 -25.421 -3.444 -13.775 1.00 63.26 O HETATM 1646 O HOH 63 -29.352 -3.023 5.072 1.00 52.87 O HETATM 1647 O HOH 64 -0.081 3.375 -2.901 1.00 54.42 O HETATM 1648 O HOH 65 -13.236 -4.140 5.407 1.00 44.86 O HETATM 1649 O HOH 66 -21.182 -17.861 -6.925 1.00 56.72 O HETATM 1650 O HOH 67 -6.594 3.269 -13.379 1.00 51.68 O HETATM 1651 O HOH 68 -1.342 -1.957 -13.790 1.00 56.50 O HETATM 1652 O HOH 69 -30.301 -1.275 -6.013 1.00 52.81 O HETATM 1653 O HOH 70 -12.095 -1.291 10.825 1.00 53.03 O HETATM 1654 O HOH 71 -10.794 -8.066 7.303 1.00 54.10 O HETATM 1655 OAE Y A 30 -13.188 -6.228 1.805 1.00 -0.54 O HETATM 1656 CBA Y A 30 -14.110 -6.090 2.645 1.00 0.14 C HETATM 1657 OAG Y A 30 -14.220 -6.824 3.644 1.00 -0.54 O HETATM 1658 CBH Y A 30 -15.095 -5.013 2.369 1.00 0.16 C HETATM 1659 NAY Y A 30 -14.996 -4.177 1.329 1.00 -0.22 N HETATM 1660 CBJ Y A 30 -16.033 -3.319 1.350 1.00 0.09 C HETATM 1661 CAU Y A 30 -16.362 -2.297 0.499 1.00 -0.02 C HETATM 1662 CBD Y A 30 -17.497 -1.564 0.740 1.00 0.04 C HETATM 1663 CLI Y A 30 -17.863 -0.283 -0.423 1.00 -0.07 CL HETATM 1664 CAQ Y A 30 -18.313 -1.820 1.837 1.00 -0.06 C HETATM 1665 CAT Y A 30 -17.977 -2.850 2.707 1.00 -0.06 C HETATM 1666 CBK Y A 30 -16.836 -3.594 2.447 1.00 -0.00 C HETATM 1667 CBI Y A 30 -16.225 -4.642 3.108 1.00 -0.00 C HETATM 1668 CA Y A 30 -16.983 -5.189 4.273 1.00 0.09 C HETATM 1669 C Y A 30 -17.288 -4.325 5.483 1.00 0.15 C HETATM 1670 NAX Y A 30 -16.353 -3.471 5.930 1.00 -0.29 N HETATM 1671 CBN Y A 30 -16.534 -2.543 7.052 1.00 0.04 C HETATM 1672 CAA Y A 30 -17.719 -1.616 6.813 1.00 -0.04 C HETATM 1673 H6 Y A 30 -17.829 -0.934 7.669 1.00 0.03 H HETATM 1674 H7 Y A 30 -18.635 -2.214 6.700 1.00 0.03 H HETATM 1675 H8 Y A 30 -17.548 -1.031 5.897 1.00 0.03 H HETATM 1676 CAC Y A 30 -15.326 -1.626 7.119 1.00 -0.04 C HETATM 1677 H9 Y A 30 -15.446 -0.923 7.956 1.00 0.03 H HETATM 1678 H10 Y A 30 -15.240 -1.064 6.177 1.00 0.03 H HETATM 1679 H11 Y A 30 -14.418 -2.227 7.272 1.00 0.03 H HETATM 1680 CAB Y A 30 -16.719 -3.236 8.399 1.00 -0.04 C HETATM 1681 H12 Y A 30 -16.848 -2.479 9.186 1.00 0.03 H HETATM 1682 H13 Y A 30 -15.833 -3.849 8.621 1.00 0.03 H HETATM 1683 H14 Y A 30 -17.610 -3.880 8.361 1.00 0.03 H HETATM 1684 H5 Y A 30 -15.468 -3.467 5.464 1.00 0.18 H HETATM 1685 O Y A 30 -18.397 -4.416 5.959 1.00 -0.38 O HETATM 1686 N Y A 30 -16.879 -6.663 4.283 1.00 -0.37 N HETATM 1687 CAJ Y A 30 -18.033 -7.427 4.364 1.00 0.14 C HETATM 1688 OAD Y A 30 -18.431 -8.557 4.422 1.00 -0.37 O HETATM 1689 CAW Y A 30 -18.214 -6.067 3.822 1.00 0.09 C HETATM 1690 CBF Y A 30 -18.558 -6.219 2.309 1.00 -0.04 C HETATM 1691 CAP Y A 30 -17.660 -6.737 1.375 1.00 -0.04 C HETATM 1692 CAS Y A 30 -17.962 -6.875 0.011 1.00 0.00 C HETATM 1693 CBG Y A 30 -19.195 -6.512 -0.525 1.00 0.13 C HETATM 1694 CAR Y A 30 -20.134 -6.020 0.395 1.00 0.00 C HETATM 1695 CAO Y A 30 -19.816 -5.891 1.772 1.00 -0.04 C HETATM 1696 H17 Y A 30 -20.582 -5.521 2.444 1.00 0.08 H HETATM 1697 H18 Y A 30 -21.120 -5.733 0.047 1.00 0.07 H HETATM 1698 OAZ Y A 30 -19.382 -6.724 -1.900 1.00 -0.28 O HETATM 1699 CAV Y A 30 -20.500 -6.339 -2.744 1.00 0.11 C HETATM 1700 CBE Y A 30 -20.078 -6.608 -4.180 1.00 -0.01 C HETATM 1701 CAM Y A 30 -19.918 -7.922 -4.625 1.00 -0.06 C HETATM 1702 CAK Y A 30 -19.499 -8.191 -5.925 1.00 -0.05 C HETATM 1703 CBC Y A 30 -19.250 -7.122 -6.780 1.00 0.03 C HETATM 1704 CAL Y A 30 -19.417 -5.803 -6.357 1.00 -0.05 C HETATM 1705 CAN Y A 30 -19.831 -5.555 -5.053 1.00 -0.06 C HETATM 1706 H22 Y A 30 -19.962 -4.533 -4.715 1.00 0.06 H HETATM 1707 H23 Y A 30 -19.226 -4.981 -7.037 1.00 0.06 H HETATM 1708 CLH Y A 30 -18.703 -7.432 -8.452 1.00 -0.08 CL HETATM 1709 H24 Y A 30 -19.369 -9.212 -6.264 1.00 0.06 H HETATM 1710 H21 Y A 30 -20.123 -8.744 -3.949 1.00 0.06 H HETATM 1711 H19 Y A 30 -20.726 -5.271 -2.609 1.00 0.08 H HETATM 1712 H20 Y A 30 -21.388 -6.937 -2.492 1.00 0.08 H HETATM 1713 H16 Y A 30 -17.206 -7.280 -0.651 1.00 0.07 H HETATM 1714 H15 Y A 30 -16.681 -7.048 1.720 1.00 0.08 H HETATM 1715 H4 Y A 30 -18.594 -3.067 3.571 1.00 0.06 H HETATM 1716 H3 Y A 30 -19.201 -1.223 2.011 1.00 0.06 H HETATM 1717 H2 Y A 30 -15.733 -2.070 -0.354 1.00 0.06 H HETATM 1718 H1 Y A 30 -14.245 -4.188 0.624 1.00 0.26 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1655 1656 CONECT 1656 1655 1657 1658 CONECT 1657 1656 CONECT 1658 1656 1659 1667 CONECT 1659 1658 1660 1718 CONECT 1660 1659 1661 1666 CONECT 1661 1660 1662 1717 CONECT 1662 1661 1663 1664 CONECT 1663 1662 CONECT 1664 1662 1665 1716 CONECT 1665 1664 1666 1715 CONECT 1666 1660 1665 1667 CONECT 1667 1658 1666 1668 CONECT 1668 1667 1669 1686 1689 CONECT 1669 1668 1670 1685 CONECT 1670 1669 1671 1684 CONECT 1671 1670 1672 1676 1680 CONECT 1672 1671 1673 1674 1675 CONECT 1673 1672 CONECT 1674 1672 CONECT 1675 1672 CONECT 1676 1671 1677 1678 1679 CONECT 1677 1676 CONECT 1678 1676 CONECT 1679 1676 CONECT 1680 1671 1681 1682 1683 CONECT 1681 1680 CONECT 1682 1680 CONECT 1683 1680 CONECT 1684 1670 CONECT 1685 1669 CONECT 1686 1668 1687 1689 CONECT 1687 1686 1688 1689 CONECT 1688 1687 CONECT 1689 1668 1686 1687 1690 CONECT 1690 1689 1691 1695 CONECT 1691 1690 1692 1714 CONECT 1692 1691 1693 1713 CONECT 1693 1692 1694 1698 CONECT 1694 1693 1695 1697 CONECT 1695 1690 1694 1696 CONECT 1696 1695 CONECT 1697 1694 CONECT 1698 1693 1699 CONECT 1699 1698 1700 1711 1712 CONECT 1700 1699 1701 1705 CONECT 1701 1700 1702 1710 CONECT 1702 1701 1703 1709 CONECT 1703 1702 1704 1708 CONECT 1704 1703 1705 1707 CONECT 1705 1700 1704 1706 CONECT 1706 1705 CONECT 1707 1704 CONECT 1708 1703 CONECT 1709 1702 CONECT 1710 1701 CONECT 1711 1699 CONECT 1712 1699 CONECT 1713 1692 CONECT 1714 1691 CONECT 1715 1665 CONECT 1716 1664 CONECT 1717 1661 CONECT 1718 1659 MASTER 0 0 0 0 0 0 0 0 1717 1 68 8 END
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Protein Sequence Similarity
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
PDBbind
105aa, >4OGN_1|Chain... at 100%
4ogt
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PDBbind
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RCSB PDB
PDBbind
96aa, >4ZYC_1|Chains... at 97%
4zyf
RCSB PDB
PDBbind
96aa, >4ZYF_1|Chain... at 98%
4zyi
RCSB PDB
PDBbind
96aa, >4ZYI_1|Chain... at 98%
5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
5hmi
RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5j7g
RCSB PDB
PDBbind
109aa, >5J7G_1|Chains... at 99%
5lav
RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5laz
RCSB PDB
PDBbind
94aa, >5LAZ_1|Chain... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
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%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
5oai
RCSB PDB
PDBbind
97aa, >5OAI_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4mdn
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
Y30
EC.Number
E.C.6.3.2
Resolution
1.91(Å)
Affinity (Kd/Ki/IC50)
Ki=0.6uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Structure Vol. 21: pp. 2143-2151
Ligand Properties
Formula
C
3
0
H
2
5
Cl
2
N
3
O
5
Molecular Weight
578.443
Exact Mass
577.117
No. of atoms
65
No. of bonds
70
Polar Surface Area
111.5
LOGP Value
6.16 (
Computed with XLOGP3
)
5.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 6
Canonical SMILES
Clc1ccc(cc1)COc1ccc(cc1)[C@@]12C(=O)N1[C@@]2(C(=O)NC(C)(C)C)c1c([nH]c2c1ccc(c2)Cl)C(=O)O
InChI String
InChI=1S/C30H25Cl2N3O5/c1-28(2,3)34-26(38)30(23-21-13-10-19(32)14-22(21)33-24(23)25(36)37)29(27(39)35(29)30)17-6-11-20(12-7-17)40-15-16-4-8-18(31)9-5-16/h4-14,33H,15H2,1-3H3,(H,34,38)(H,36,37)/t29-,30+,35?/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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