Browse entries in the PDBbind-CN Database
HEADER 6G0Q_COMPLEX COMPND 6G0Q_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 125 MET ASN PRO PRO PRO PRO GLU THR SER ASN PRO ASN LYS SEQRES 2 A 125 PRO LYS ARG GLN THR ASN GLN LEU GLN TYR LEU LEU ARG SEQRES 3 A 125 VAL VAL LEU LYS THR LEU TRP LYS HIS GLN PHE ALA TRP SEQRES 4 A 125 PRO PHE GLN GLN PRO VAL ASP ALA VAL LYS LEU ASN LEU SEQRES 5 A 125 PRO ASP TYR TYR LYS ILE ILE LYS THR PRO MET ASP MET SEQRES 6 A 125 GLY THR ILE LYS LYS ARG LEU GLU ASN ASN TYR TYR TRP SEQRES 7 A 125 ASN ALA GLN GLU CYS ILE GLN ASP PHE ASN THR MET PHE SEQRES 8 A 125 THR ASN CYS TYR ILE TYR ASN LYS PRO GLY ASP ASP ILE SEQRES 9 A 125 VAL LEU MET ALA GLU ALA LEU GLU LYS LEU PHE LEU GLN SEQRES 10 A 125 LYS ILE ASN GLU LEU PRO THR GLU HET SER A 360 176 ATOM 1 N MET A 43 21.052 27.701 12.354 1.00 11.85 N ATOM 2 CA MET A 43 21.389 26.916 11.132 1.00 9.22 C ATOM 3 C MET A 43 22.897 26.948 10.903 1.00 6.79 C ATOM 4 O MET A 43 23.601 27.832 11.377 1.00 8.37 O ATOM 5 CB MET A 43 20.734 27.583 9.930 1.00 12.21 C ATOM 6 CG MET A 43 19.219 27.841 10.147 1.00 16.13 C ATOM 7 SD MET A 43 18.534 29.129 9.080 1.00 20.73 S ATOM 8 CE MET A 43 18.342 27.711 8.114 1.00 8.49 C ATOM 9 HN3 MET A 43 21.362 28.686 12.229 1.00 0.00 H ATOM 10 HN2 MET A 43 21.536 27.286 13.176 1.00 0.00 H ATOM 11 HN1 MET A 43 20.024 27.677 12.507 1.00 0.00 H ATOM 12 N ASN A 44 23.397 26.003 10.133 1.00 4.95 N ATOM 13 CA ASN A 44 24.759 26.075 9.638 1.00 4.88 C ATOM 14 C ASN A 44 24.823 27.144 8.563 1.00 4.53 C ATOM 15 O ASN A 44 23.860 27.345 7.822 1.00 5.25 O ATOM 16 CB ASN A 44 25.188 24.769 9.027 1.00 5.38 C ATOM 17 CG ASN A 44 25.291 23.652 9.997 1.00 6.04 C ATOM 18 OD1 ASN A 44 25.986 23.771 11.014 1.00 7.36 O ATOM 19 ND2 ASN A 44 24.658 22.533 9.654 1.00 6.47 N ATOM 20 HD22 ASN A 44 24.090 22.503 8.784 1.00 0.00 H ATOM 21 HD21 ASN A 44 24.732 21.688 10.256 1.00 0.00 H ATOM 22 H ASN A 44 22.803 25.189 9.875 1.00 0.00 H ATOM 23 N PRO A 45 25.972 27.794 8.413 1.00 4.23 N ATOM 24 CA PRO A 45 26.218 28.636 7.269 1.00 4.75 C ATOM 25 C PRO A 45 26.449 27.773 6.047 1.00 4.77 C ATOM 26 O PRO A 45 26.724 26.587 6.168 1.00 4.38 O ATOM 27 CB PRO A 45 27.511 29.356 7.662 1.00 5.61 C ATOM 28 CG PRO A 45 28.252 28.345 8.454 1.00 6.22 C ATOM 29 CD PRO A 45 27.192 27.642 9.241 1.00 5.16 C ATOM 30 N PRO A 46 26.393 28.337 4.845 1.00 5.00 N ATOM 31 CA PRO A 46 26.930 27.619 3.693 1.00 4.91 C ATOM 32 C PRO A 46 28.401 27.314 3.901 1.00 5.53 C ATOM 33 O PRO A 46 29.054 28.041 4.660 1.00 5.55 O ATOM 34 CB PRO A 46 26.789 28.641 2.560 1.00 6.06 C ATOM 35 CG PRO A 46 26.806 29.947 3.225 1.00 7.69 C ATOM 36 CD PRO A 46 26.104 29.754 4.537 1.00 5.92 C ATOM 37 N PRO A 47 28.909 26.245 3.279 1.00 5.46 N ATOM 38 CA PRO A 47 30.324 25.947 3.460 1.00 5.33 C ATOM 39 C PRO A 47 31.187 27.005 2.807 1.00 5.27 C ATOM 40 O PRO A 47 30.719 27.790 1.999 1.00 5.54 O ATOM 41 CB PRO A 47 30.458 24.590 2.760 1.00 7.35 C ATOM 42 CG PRO A 47 29.426 24.671 1.653 1.00 7.80 C ATOM 43 CD PRO A 47 28.263 25.332 2.318 1.00 6.66 C ATOM 44 N PRO A 48 32.481 27.046 3.111 1.00 4.63 N ATOM 45 CA PRO A 48 33.350 27.997 2.425 1.00 4.95 C ATOM 46 C PRO A 48 33.397 27.707 0.903 1.00 4.95 C ATOM 47 O PRO A 48 33.269 26.569 0.475 1.00 5.53 O ATOM 48 CB PRO A 48 34.729 27.743 3.078 1.00 5.62 C ATOM 49 CG PRO A 48 34.399 27.048 4.393 1.00 5.94 C ATOM 50 CD PRO A 48 33.241 26.185 4.009 1.00 5.56 C ATOM 51 N GLU A 49 33.580 28.742 0.104 1.00 4.60 N ATOM 52 CA GLU A 49 33.751 28.597 -1.321 1.00 5.29 C ATOM 53 C GLU A 49 34.970 27.746 -1.625 1.00 5.22 C ATOM 54 O GLU A 49 35.959 27.797 -0.897 1.00 6.25 O ATOM 55 CB GLU A 49 33.896 29.942 -1.966 1.00 7.29 C ATOM 56 CG GLU A 49 32.571 30.720 -1.919 1.00 9.64 C ATOM 57 CD GLU A 49 31.483 30.227 -2.843 1.00 12.07 C ATOM 58 OE1 GLU A 49 31.717 29.970 -4.029 1.00 14.48 O ATOM 59 OE2 GLU A 49 30.363 30.132 -2.342 1.00 21.74 O ATOM 60 H GLU A 49 33.602 29.696 0.517 1.00 0.00 H ATOM 61 N THR A 50 34.881 26.940 -2.675 1.00 4.89 N ATOM 62 CA THR A 50 35.973 26.073 -3.068 1.00 5.42 C ATOM 63 C THR A 50 36.408 26.209 -4.513 1.00 6.31 C ATOM 64 O THR A 50 37.456 25.686 -4.858 1.00 6.83 O ATOM 65 CB THR A 50 35.577 24.608 -2.832 1.00 7.11 C ATOM 66 OG1 THR A 50 34.325 24.301 -3.455 1.00 10.10 O ATOM 67 CG2 THR A 50 35.517 24.301 -1.331 1.00 7.49 C ATOM 68 HG1 THR A 50 33.619 24.883 -3.078 1.00 0.00 H ATOM 69 H THR A 50 34.003 26.930 -3.232 1.00 0.00 H ATOM 70 N SER A 51 35.661 26.952 -5.342 1.00 5.94 N ATOM 71 CA SER A 51 36.033 27.131 -6.757 1.00 6.83 C ATOM 72 C SER A 51 35.588 28.501 -7.155 1.00 8.10 C ATOM 73 O SER A 51 34.465 28.913 -6.829 1.00 12.22 O ATOM 74 CB SER A 51 35.323 26.068 -7.591 1.00 12.16 C ATOM 75 OG SER A 51 35.779 26.014 -8.932 1.00 20.65 O ATOM 76 HG SER A 51 35.284 25.309 -9.420 1.00 0.00 H ATOM 77 H SER A 51 34.801 27.412 -4.979 1.00 0.00 H ATOM 78 N ASN A 52 36.419 29.199 -7.902 1.00 5.72 N ATOM 79 CA ASN A 52 36.051 30.479 -8.437 1.00 6.84 C ATOM 80 C ASN A 52 36.732 30.585 -9.795 1.00 6.42 C ATOM 81 O ASN A 52 37.943 30.799 -9.833 1.00 7.14 O ATOM 82 CB ASN A 52 36.481 31.591 -7.491 1.00 7.65 C ATOM 83 CG ASN A 52 36.061 32.963 -7.977 1.00 8.04 C ATOM 84 OD1 ASN A 52 35.855 33.198 -9.177 1.00 9.72 O ATOM 85 ND2 ASN A 52 35.909 33.871 -7.043 1.00 10.39 N ATOM 86 HD22 ASN A 52 36.093 33.630 -6.048 1.00 0.00 H ATOM 87 HD21 ASN A 52 35.604 34.832 -7.297 1.00 0.00 H ATOM 88 H ASN A 52 37.363 28.814 -8.109 1.00 0.00 H ATOM 89 N PRO A 53 35.988 30.459 -10.886 1.00 8.16 N ATOM 90 CA PRO A 53 36.594 30.479 -12.229 1.00 8.54 C ATOM 91 C PRO A 53 37.226 31.796 -12.620 1.00 8.11 C ATOM 92 O PRO A 53 37.981 31.829 -13.584 1.00 10.66 O ATOM 93 CB PRO A 53 35.434 30.124 -13.154 1.00 12.42 C ATOM 94 CG PRO A 53 34.245 30.554 -12.416 1.00 15.39 C ATOM 95 CD PRO A 53 34.512 30.307 -10.962 1.00 10.27 C ATOM 96 N ASN A 54 36.964 32.860 -11.888 1.00 7.34 N ATOM 97 CA ASN A 54 37.591 34.139 -12.180 1.00 7.29 C ATOM 98 C ASN A 54 38.931 34.328 -11.510 1.00 7.48 C ATOM 99 O ASN A 54 39.645 35.280 -11.860 1.00 9.53 O ATOM 100 CB ASN A 54 36.630 35.278 -11.789 1.00 7.39 C ATOM 101 CG ASN A 54 35.400 35.322 -12.646 1.00 9.54 C ATOM 102 OD1 ASN A 54 35.352 34.789 -13.740 1.00 13.56 O ATOM 103 ND2 ASN A 54 34.416 36.036 -12.162 1.00 11.62 N ATOM 104 HD22 ASN A 54 34.503 36.472 -11.222 1.00 0.00 H ATOM 105 HD21 ASN A 54 33.547 36.167 -12.717 1.00 0.00 H ATOM 106 H ASN A 54 36.300 32.784 -11.091 1.00 0.00 H ATOM 107 N LYS A 55 39.284 33.465 -10.560 1.00 6.12 N ATOM 108 CA LYS A 55 40.598 33.602 -9.954 1.00 7.24 C ATOM 109 C LYS A 55 41.657 33.118 -10.961 1.00 8.31 C ATOM 110 O LYS A 55 41.462 32.118 -11.630 1.00 8.88 O ATOM 111 CB LYS A 55 40.720 32.770 -8.700 1.00 8.18 C ATOM 112 CG LYS A 55 40.009 33.318 -7.467 1.00 8.54 C ATOM 113 CD LYS A 55 40.319 32.449 -6.238 1.00 13.65 C ATOM 114 CE LYS A 55 39.747 32.961 -4.936 1.00 19.51 C ATOM 115 NZ LYS A 55 40.643 32.452 -3.880 1.00 21.11 N ATOM 116 HZ1 LYS A 55 40.653 31.412 -3.907 1.00 0.00 H ATOM 117 HZ2 LYS A 55 41.605 32.813 -4.039 1.00 0.00 H ATOM 118 HZ3 LYS A 55 40.300 32.773 -2.952 1.00 0.00 H ATOM 119 H LYS A 55 38.635 32.710 -10.258 1.00 0.00 H ATOM 120 N PRO A 56 42.837 33.751 -10.992 1.00 6.93 N ATOM 121 CA PRO A 56 43.937 33.244 -11.779 1.00 6.16 C ATOM 122 C PRO A 56 44.433 31.911 -11.193 1.00 6.39 C ATOM 123 O PRO A 56 44.185 31.637 -10.032 1.00 10.07 O ATOM 124 CB PRO A 56 44.978 34.342 -11.649 1.00 6.96 C ATOM 125 CG PRO A 56 44.727 34.869 -10.273 1.00 7.96 C ATOM 126 CD PRO A 56 43.258 34.820 -10.082 1.00 7.88 C ATOM 127 N LYS A 57 45.064 31.098 -12.009 1.00 5.21 N ATOM 128 CA LYS A 57 45.466 29.760 -11.645 1.00 6.75 C ATOM 129 C LYS A 57 46.967 29.592 -11.870 1.00 5.06 C ATOM 130 O LYS A 57 47.498 30.023 -12.899 1.00 5.84 O ATOM 131 CB LYS A 57 44.744 28.711 -12.506 1.00 10.34 C ATOM 132 CG LYS A 57 43.217 28.719 -12.428 1.00 14.04 C ATOM 133 CD LYS A 57 42.628 27.479 -13.047 1.00 20.30 C ATOM 134 CE LYS A 57 43.078 27.234 -14.467 1.00 27.36 C ATOM 135 NZ LYS A 57 42.786 28.405 -15.321 1.00 32.97 N ATOM 136 HZ1 LYS A 57 41.762 28.586 -15.320 1.00 0.00 H ATOM 137 HZ2 LYS A 57 43.287 29.237 -14.949 1.00 0.00 H ATOM 138 HZ3 LYS A 57 43.104 28.212 -16.292 1.00 0.00 H ATOM 139 H LYS A 57 45.286 31.436 -12.967 1.00 0.00 H ATOM 140 N ARG A 58 47.653 28.944 -10.950 1.00 4.26 N ATOM 141 CA ARG A 58 49.035 28.514 -11.153 1.00 4.52 C ATOM 142 C ARG A 58 49.254 27.177 -10.485 1.00 4.78 C ATOM 143 O ARG A 58 48.702 26.895 -9.430 1.00 6.53 O ATOM 144 CB ARG A 58 50.067 29.554 -10.687 1.00 4.46 C ATOM 145 CG ARG A 58 50.097 29.773 -9.175 1.00 4.38 C ATOM 146 CD ARG A 58 51.166 30.800 -8.874 1.00 5.04 C ATOM 147 NE ARG A 58 51.292 31.081 -7.448 1.00 4.51 N ATOM 148 CZ ARG A 58 52.195 31.889 -6.909 1.00 7.94 C ATOM 149 NH1 ARG A 58 53.069 32.506 -7.682 1.00 11.51 N ATOM 150 NH2 ARG A 58 52.204 32.089 -5.596 1.00 10.00 N ATOM 151 HE ARG A 58 50.623 30.612 -6.805 1.00 0.00 H ATOM 152 HH12 ARG A 58 53.778 33.140 -7.262 1.00 0.00 H ATOM 153 HH11 ARG A 58 53.048 32.358 -8.711 1.00 0.00 H ATOM 154 HH22 ARG A 58 52.911 32.722 -5.171 1.00 0.00 H ATOM 155 HH21 ARG A 58 51.504 31.612 -4.993 1.00 0.00 H ATOM 156 H ARG A 58 47.192 28.730 -10.043 1.00 0.00 H ATOM 157 N GLN A 59 50.122 26.407 -11.108 1.00 6.03 N ATOM 158 CA GLN A 59 50.682 25.216 -10.530 1.00 6.35 C ATOM 159 C GLN A 59 52.025 25.565 -9.949 1.00 6.16 C ATOM 160 O GLN A 59 52.826 26.236 -10.587 1.00 8.20 O ATOM 161 CB GLN A 59 50.885 24.187 -11.639 1.00 8.58 C ATOM 162 CG GLN A 59 51.517 22.891 -11.154 1.00 10.97 C ATOM 163 CD GLN A 59 51.758 21.896 -12.266 1.00 13.88 C ATOM 164 OE1 GLN A 59 50.832 21.447 -12.944 1.00 17.18 O ATOM 165 NE2 GLN A 59 52.991 21.523 -12.435 1.00 11.61 N ATOM 166 HE22 GLN A 59 53.743 21.927 -11.841 1.00 0.00 H ATOM 167 HE21 GLN A 59 53.226 20.820 -13.165 1.00 0.00 H ATOM 168 H GLN A 59 50.418 26.675 -12.068 1.00 0.00 H ATOM 169 N THR A 60 52.293 25.144 -8.734 1.00 6.02 N ATOM 170 CA THR A 60 53.600 25.322 -8.135 1.00 5.88 C ATOM 171 C THR A 60 53.977 24.066 -7.360 1.00 4.56 C ATOM 172 O THR A 60 53.104 23.269 -6.944 1.00 4.68 O ATOM 173 CB THR A 60 53.671 26.499 -7.181 1.00 6.62 C ATOM 174 OG1 THR A 60 52.908 26.217 -5.996 1.00 6.93 O ATOM 175 CG2 THR A 60 53.166 27.808 -7.803 1.00 8.44 C ATOM 176 HG1 THR A 60 52.960 26.990 -5.380 1.00 0.00 H ATOM 177 H THR A 60 51.546 24.670 -8.187 1.00 0.00 H ATOM 178 N ASN A 61 55.276 23.877 -7.182 1.00 4.38 N ATOM 179 CA ASN A 61 55.729 22.724 -6.403 1.00 4.76 C ATOM 180 C ASN A 61 55.114 22.780 -4.983 1.00 4.15 C ATOM 181 O ASN A 61 54.722 21.768 -4.425 1.00 5.10 O ATOM 182 CB ASN A 61 57.257 22.710 -6.401 1.00 5.74 C ATOM 183 CG ASN A 61 57.843 21.398 -5.945 1.00 6.35 C ATOM 184 OD1 ASN A 61 57.157 20.379 -5.801 1.00 8.68 O ATOM 185 ND2 ASN A 61 59.147 21.440 -5.750 1.00 8.82 N ATOM 186 HD22 ASN A 61 59.665 22.331 -5.889 1.00 0.00 H ATOM 187 HD21 ASN A 61 59.657 20.582 -5.457 1.00 0.00 H ATOM 188 H ASN A 61 55.965 24.540 -7.591 1.00 0.00 H ATOM 189 N GLN A 62 55.092 23.963 -4.372 1.00 4.21 N ATOM 190 CA GLN A 62 54.492 24.114 -3.036 1.00 4.47 C ATOM 191 C GLN A 62 53.028 23.654 -3.005 1.00 3.90 C ATOM 192 O GLN A 62 52.641 22.903 -2.128 1.00 3.87 O ATOM 193 CB GLN A 62 54.583 25.552 -2.545 1.00 4.76 C ATOM 194 CG GLN A 62 55.984 26.071 -2.222 1.00 5.63 C ATOM 195 CD GLN A 62 55.925 27.473 -1.640 1.00 6.85 C ATOM 196 OE1 GLN A 62 55.276 28.397 -2.205 1.00 8.04 O ATOM 197 NE2 GLN A 62 56.622 27.669 -0.546 1.00 9.51 N ATOM 198 HE22 GLN A 62 57.142 26.880 -0.113 1.00 0.00 H ATOM 199 HE21 GLN A 62 56.654 28.614 -0.112 1.00 0.00 H ATOM 200 H GLN A 62 55.505 24.792 -4.845 1.00 0.00 H ATOM 201 N LEU A 63 52.226 24.093 -3.969 1.00 3.90 N ATOM 202 CA LEU A 63 50.838 23.697 -3.998 1.00 4.28 C ATOM 203 C LEU A 63 50.663 22.209 -4.265 1.00 4.19 C ATOM 204 O LEU A 63 49.793 21.565 -3.647 1.00 4.44 O ATOM 205 CB LEU A 63 50.019 24.569 -4.979 1.00 4.52 C ATOM 206 CG LEU A 63 49.836 26.035 -4.580 1.00 5.27 C ATOM 207 CD1 LEU A 63 49.271 26.795 -5.777 1.00 6.25 C ATOM 208 CD2 LEU A 63 48.900 26.126 -3.405 1.00 5.92 C ATOM 209 H LEU A 63 52.600 24.725 -4.706 1.00 0.00 H ATOM 210 N GLN A 64 51.477 21.641 -5.152 1.00 3.99 N ATOM 211 CA GLN A 64 51.417 20.219 -5.394 1.00 4.87 C ATOM 212 C GLN A 64 51.754 19.431 -4.138 1.00 4.17 C ATOM 213 O GLN A 64 51.055 18.468 -3.796 1.00 4.71 O ATOM 214 CB GLN A 64 52.320 19.866 -6.564 1.00 6.83 C ATOM 215 CG GLN A 64 51.735 20.337 -7.896 1.00 10.98 C ATOM 216 CD GLN A 64 52.198 19.552 -9.098 1.00 15.54 C ATOM 217 OE1 GLN A 64 51.449 19.412 -10.088 1.00 22.64 O ATOM 218 NE2 GLN A 64 53.410 19.050 -9.053 1.00 14.83 N ATOM 219 HE22 GLN A 64 54.000 19.191 -8.208 1.00 0.00 H ATOM 220 HE21 GLN A 64 53.780 18.512 -9.862 1.00 0.00 H ATOM 221 H GLN A 64 52.161 22.225 -5.674 1.00 0.00 H ATOM 222 N TYR A 65 52.797 19.848 -3.442 1.00 3.39 N ATOM 223 CA TYR A 65 53.185 19.187 -2.201 1.00 3.92 C ATOM 224 C TYR A 65 52.060 19.286 -1.160 1.00 3.83 C ATOM 225 O TYR A 65 51.784 18.323 -0.435 1.00 3.94 O ATOM 226 CB TYR A 65 54.476 19.820 -1.685 1.00 5.12 C ATOM 227 CG TYR A 65 55.040 19.228 -0.447 1.00 5.50 C ATOM 228 CD1 TYR A 65 54.653 19.691 0.815 1.00 5.63 C ATOM 229 CD2 TYR A 65 55.951 18.220 -0.508 1.00 6.25 C ATOM 230 CE1 TYR A 65 55.177 19.169 1.975 1.00 5.27 C ATOM 231 CE2 TYR A 65 56.505 17.691 0.634 1.00 7.12 C ATOM 232 CZ TYR A 65 56.090 18.139 1.878 1.00 6.00 C ATOM 233 OH TYR A 65 56.634 17.591 3.014 1.00 7.47 O ATOM 234 HH TYR A 65 56.232 18.019 3.811 1.00 0.00 H ATOM 235 H TYR A 65 53.350 20.660 -3.784 1.00 0.00 H ATOM 236 N LEU A 66 51.441 20.455 -1.075 1.00 3.31 N ATOM 237 CA LEU A 66 50.360 20.633 -0.094 1.00 3.72 C ATOM 238 C LEU A 66 49.236 19.626 -0.355 1.00 3.91 C ATOM 239 O LEU A 66 48.623 19.155 0.613 1.00 4.99 O ATOM 240 CB LEU A 66 49.842 22.065 -0.080 1.00 4.33 C ATOM 241 CG LEU A 66 50.742 23.038 0.673 1.00 5.25 C ATOM 242 CD1 LEU A 66 50.491 24.473 0.234 1.00 6.83 C ATOM 243 CD2 LEU A 66 50.564 22.878 2.185 1.00 5.92 C ATOM 244 H LEU A 66 51.718 21.241 -1.698 1.00 0.00 H ATOM 245 N LEU A 67 48.904 19.323 -1.598 1.00 3.70 N ATOM 246 CA LEU A 67 47.865 18.333 -1.905 1.00 4.63 C ATOM 247 C LEU A 67 48.377 16.905 -1.772 1.00 4.85 C ATOM 248 O LEU A 67 47.750 16.087 -1.065 1.00 6.78 O ATOM 249 CB LEU A 67 47.273 18.548 -3.280 1.00 5.11 C ATOM 250 CG LEU A 67 46.120 17.587 -3.694 1.00 6.48 C ATOM 251 CD1 LEU A 67 44.987 17.646 -2.683 1.00 7.62 C ATOM 252 CD2 LEU A 67 45.652 17.982 -5.099 1.00 9.25 C ATOM 253 H LEU A 67 49.394 19.800 -2.382 1.00 0.00 H ATOM 254 N ARG A 68 49.497 16.604 -2.425 1.00 5.03 N ATOM 255 CA ARG A 68 49.907 15.215 -2.603 1.00 6.34 C ATOM 256 C ARG A 68 50.580 14.665 -1.385 1.00 6.68 C ATOM 257 O ARG A 68 50.576 13.456 -1.187 1.00 9.08 O ATOM 258 CB ARG A 68 50.843 15.145 -3.813 1.00 8.75 C ATOM 259 CG ARG A 68 50.092 15.473 -5.098 1.00 13.69 C ATOM 260 CD ARG A 68 49.231 14.336 -5.586 1.00 24.37 C ATOM 261 NE ARG A 68 47.806 14.502 -5.315 1.00 30.99 N ATOM 262 CZ ARG A 68 46.833 14.585 -6.234 1.00 35.94 C ATOM 263 NH1 ARG A 68 47.093 14.553 -7.543 1.00 44.60 N ATOM 264 NH2 ARG A 68 45.556 14.704 -5.838 1.00 35.03 N ATOM 265 HE ARG A 68 47.519 14.561 -4.317 1.00 0.00 H ATOM 266 HH12 ARG A 68 46.315 14.620 -8.230 1.00 0.00 H ATOM 267 HH11 ARG A 68 48.074 14.461 -7.876 1.00 0.00 H ATOM 268 HH22 ARG A 68 44.796 14.769 -6.545 1.00 0.00 H ATOM 269 HH21 ARG A 68 45.326 14.731 -4.824 1.00 0.00 H ATOM 270 H ARG A 68 50.087 17.368 -2.813 1.00 0.00 H ATOM 271 N VAL A 69 51.178 15.512 -0.552 1.00 5.37 N ATOM 272 CA VAL A 69 51.876 15.065 0.660 1.00 5.51 C ATOM 273 C VAL A 69 51.108 15.521 1.899 1.00 5.77 C ATOM 274 O VAL A 69 50.737 14.717 2.739 1.00 7.94 O ATOM 275 CB VAL A 69 53.322 15.568 0.703 1.00 5.61 C ATOM 276 CG1 VAL A 69 53.959 15.187 2.004 1.00 7.04 C ATOM 277 CG2 VAL A 69 54.087 14.976 -0.497 1.00 6.64 C ATOM 278 H VAL A 69 51.150 16.529 -0.767 1.00 0.00 H ATOM 279 N VAL A 70 50.862 16.809 2.080 1.00 5.72 N ATOM 280 CA VAL A 70 50.319 17.285 3.364 1.00 5.10 C ATOM 281 C VAL A 70 48.863 16.857 3.529 1.00 4.73 C ATOM 282 O VAL A 70 48.528 16.108 4.459 1.00 6.28 O ATOM 283 CB VAL A 70 50.455 18.800 3.544 1.00 5.65 C ATOM 284 CG1 VAL A 70 49.897 19.225 4.884 1.00 6.17 C ATOM 285 CG2 VAL A 70 51.907 19.194 3.400 1.00 6.06 C ATOM 286 H VAL A 70 51.052 17.486 1.314 1.00 0.00 H ATOM 287 N LEU A 71 48.001 17.273 2.614 1.00 4.89 N ATOM 288 CA LEU A 71 46.578 16.910 2.700 1.00 4.70 C ATOM 289 C LEU A 71 46.405 15.420 2.674 1.00 5.54 C ATOM 290 O LEU A 71 45.707 14.866 3.524 1.00 6.03 O ATOM 291 CB LEU A 71 45.793 17.569 1.580 1.00 5.88 C ATOM 292 CG LEU A 71 44.279 17.450 1.569 1.00 7.10 C ATOM 293 CD1 LEU A 71 43.787 16.114 1.070 1.00 8.14 C ATOM 294 CD2 LEU A 71 43.623 17.796 2.874 1.00 7.90 C ATOM 295 H LEU A 71 48.334 17.863 1.825 1.00 0.00 H ATOM 296 N LYS A 72 47.041 14.747 1.721 1.00 5.99 N ATOM 297 CA LYS A 72 46.865 13.288 1.601 1.00 7.47 C ATOM 298 C LYS A 72 47.263 12.562 2.877 1.00 6.42 C ATOM 299 O LYS A 72 46.568 11.608 3.295 1.00 8.40 O ATOM 300 CB LYS A 72 47.712 12.748 0.437 1.00 11.19 C ATOM 301 CG LYS A 72 47.708 11.234 0.233 1.00 16.15 C ATOM 302 CD LYS A 72 47.920 10.859 -1.241 1.00 25.40 C ATOM 303 CE LYS A 72 49.383 10.733 -1.663 1.00 30.17 C ATOM 304 NZ LYS A 72 49.725 11.480 -2.928 1.00 25.55 N ATOM 305 HZ1 LYS A 72 49.147 11.115 -3.712 1.00 0.00 H ATOM 306 HZ2 LYS A 72 49.530 12.493 -2.794 1.00 0.00 H ATOM 307 HZ3 LYS A 72 50.733 11.345 -3.147 1.00 0.00 H ATOM 308 H LYS A 72 47.664 15.251 1.058 1.00 0.00 H ATOM 309 N THR A 73 48.372 12.953 3.487 1.00 5.44 N ATOM 310 CA THR A 73 48.837 12.275 4.701 1.00 6.38 C ATOM 311 C THR A 73 47.832 12.481 5.840 1.00 6.42 C ATOM 312 O THR A 73 47.479 11.541 6.568 1.00 7.02 O ATOM 313 CB THR A 73 50.222 12.791 5.133 1.00 7.97 C ATOM 314 OG1 THR A 73 51.151 12.453 4.114 1.00 10.74 O ATOM 315 CG2 THR A 73 50.653 12.143 6.413 1.00 10.54 C ATOM 316 HG1 THR A 73 50.876 12.879 3.264 1.00 0.00 H ATOM 317 H THR A 73 48.918 13.749 3.101 1.00 0.00 H ATOM 318 N LEU A 74 47.348 13.705 6.029 1.00 5.27 N ATOM 319 CA LEU A 74 46.386 13.955 7.112 1.00 5.61 C ATOM 320 C LEU A 74 45.058 13.262 6.824 1.00 5.42 C ATOM 321 O LEU A 74 44.436 12.721 7.733 1.00 6.14 O ATOM 322 CB LEU A 74 46.163 15.451 7.331 1.00 6.32 C ATOM 323 CG LEU A 74 47.111 16.130 8.323 1.00 10.52 C ATOM 324 CD1 LEU A 74 48.539 16.117 7.872 1.00 12.59 C ATOM 325 CD2 LEU A 74 46.640 17.563 8.592 1.00 12.21 C ATOM 326 H LEU A 74 47.650 14.485 5.411 1.00 0.00 H ATOM 327 N TRP A 75 44.628 13.281 5.570 1.00 5.74 N ATOM 328 CA TRP A 75 43.333 12.721 5.175 1.00 5.70 C ATOM 329 C TRP A 75 43.210 11.238 5.516 1.00 6.21 C ATOM 330 O TRP A 75 42.121 10.790 5.918 1.00 7.31 O ATOM 331 CB TRP A 75 43.103 12.949 3.682 1.00 6.12 C ATOM 332 CG TRP A 75 41.735 12.618 3.207 1.00 6.64 C ATOM 333 CD1 TRP A 75 41.259 11.413 2.789 1.00 9.18 C ATOM 334 CD2 TRP A 75 40.648 13.518 3.146 1.00 5.74 C ATOM 335 NE1 TRP A 75 39.950 11.524 2.450 1.00 10.20 N ATOM 336 CE2 TRP A 75 39.545 12.819 2.659 1.00 7.35 C ATOM 337 CE3 TRP A 75 40.500 14.858 3.492 1.00 5.93 C ATOM 338 CZ2 TRP A 75 38.297 13.428 2.463 1.00 7.13 C ATOM 339 CZ3 TRP A 75 39.289 15.478 3.289 1.00 6.24 C ATOM 340 CH2 TRP A 75 38.202 14.779 2.772 1.00 6.31 C ATOM 341 HE1 TRP A 75 39.351 10.754 2.090 1.00 0.00 H ATOM 342 H TRP A 75 45.232 13.709 4.840 1.00 0.00 H ATOM 343 N LYS A 76 44.315 10.506 5.366 1.00 5.90 N ATOM 344 CA LYS A 76 44.305 9.048 5.552 1.00 7.28 C ATOM 345 C LYS A 76 44.508 8.642 6.997 1.00 7.46 C ATOM 346 O LYS A 76 44.364 7.470 7.341 1.00 10.54 O ATOM 347 CB LYS A 76 45.320 8.370 4.624 1.00 11.33 C ATOM 348 CG LYS A 76 46.747 8.539 5.005 1.00 15.25 C ATOM 349 CD LYS A 76 47.625 7.657 4.121 1.00 20.89 C ATOM 350 CE LYS A 76 49.036 8.188 4.004 1.00 24.52 C ATOM 351 NZ LYS A 76 49.864 8.158 5.236 1.00 28.51 N ATOM 352 HZ1 LYS A 76 49.406 8.731 5.974 1.00 0.00 H ATOM 353 HZ2 LYS A 76 49.957 7.176 5.566 1.00 0.00 H ATOM 354 HZ3 LYS A 76 50.806 8.547 5.029 1.00 0.00 H ATOM 355 H LYS A 76 45.206 10.979 5.111 1.00 0.00 H ATOM 356 N HIS A 77 44.827 9.600 7.854 1.00 5.47 N ATOM 357 CA HIS A 77 45.111 9.308 9.262 1.00 5.63 C ATOM 358 C HIS A 77 43.832 8.817 9.996 1.00 5.40 C ATOM 359 O HIS A 77 42.724 9.213 9.666 1.00 5.43 O ATOM 360 CB HIS A 77 45.664 10.573 9.937 1.00 5.92 C ATOM 361 CG HIS A 77 46.276 10.319 11.253 1.00 6.39 C ATOM 362 ND1 HIS A 77 45.555 10.258 12.417 1.00 6.96 N ATOM 363 CD2 HIS A 77 47.566 10.115 11.611 1.00 10.06 C ATOM 364 CE1 HIS A 77 46.367 10.036 13.435 1.00 8.94 C ATOM 365 NE2 HIS A 77 47.597 9.952 12.969 1.00 12.25 N ATOM 366 H HIS A 77 44.877 10.584 7.520 1.00 0.00 H ATOM 367 N GLN A 78 44.036 7.921 10.965 1.00 4.94 N ATOM 368 CA GLN A 78 42.912 7.371 11.705 1.00 5.78 C ATOM 369 C GLN A 78 42.114 8.374 12.513 1.00 5.51 C ATOM 370 O GLN A 78 40.982 8.107 12.853 1.00 6.33 O ATOM 371 CB GLN A 78 43.390 6.251 12.621 1.00 8.38 C ATOM 372 CG GLN A 78 44.283 6.719 13.742 1.00 10.28 C ATOM 373 CD GLN A 78 45.639 6.295 13.464 1.00 19.00 C ATOM 374 OE1 GLN A 78 46.256 6.815 12.541 1.00 19.22 O ATOM 375 NE2 GLN A 78 46.042 5.203 14.098 1.00 20.08 N ATOM 376 HE22 GLN A 78 45.471 4.812 14.874 1.00 0.00 H ATOM 377 HE21 GLN A 78 46.929 4.737 13.819 1.00 0.00 H ATOM 378 H GLN A 78 45.004 7.615 11.191 1.00 0.00 H ATOM 379 N PHE A 79 42.679 9.562 12.746 1.00 4.43 N ATOM 380 CA PHE A 79 41.958 10.635 13.442 1.00 4.82 C ATOM 381 C PHE A 79 41.367 11.683 12.498 1.00 4.54 C ATOM 382 O PHE A 79 40.822 12.694 12.976 1.00 5.19 O ATOM 383 CB PHE A 79 42.834 11.322 14.480 1.00 5.23 C ATOM 384 CG PHE A 79 43.361 10.441 15.599 1.00 5.38 C ATOM 385 CD1 PHE A 79 42.735 9.257 16.019 1.00 5.91 C ATOM 386 CD2 PHE A 79 44.496 10.831 16.260 1.00 6.73 C ATOM 387 CE1 PHE A 79 43.264 8.536 17.068 1.00 7.08 C ATOM 388 CE2 PHE A 79 45.024 10.106 17.292 1.00 9.64 C ATOM 389 CZ PHE A 79 44.428 8.950 17.688 1.00 8.82 C ATOM 390 H PHE A 79 43.654 9.731 12.426 1.00 0.00 H ATOM 391 N ALA A 80 41.407 11.448 11.193 1.00 4.07 N ATOM 392 CA ALA A 80 41.005 12.481 10.247 1.00 4.83 C ATOM 393 C ALA A 80 39.501 12.681 10.147 1.00 3.86 C ATOM 394 O ALA A 80 39.045 13.776 9.808 1.00 3.87 O ATOM 395 CB ALA A 80 41.516 12.162 8.852 1.00 6.50 C ATOM 396 H ALA A 80 41.727 10.522 10.843 1.00 0.00 H ATOM 397 N TRP A 81 38.690 11.645 10.340 1.00 3.74 N ATOM 398 CA TRP A 81 37.281 11.734 9.917 1.00 3.73 C ATOM 399 C TRP A 81 36.498 12.899 10.462 1.00 3.86 C ATOM 400 O TRP A 81 35.676 13.444 9.727 1.00 5.15 O ATOM 401 CB TRP A 81 36.545 10.375 10.056 1.00 4.29 C ATOM 402 CG TRP A 81 36.302 9.956 11.487 1.00 4.33 C ATOM 403 CD1 TRP A 81 37.097 9.160 12.268 1.00 5.68 C ATOM 404 CD2 TRP A 81 35.213 10.380 12.310 1.00 4.17 C ATOM 405 NE1 TRP A 81 36.557 9.068 13.539 1.00 5.48 N ATOM 406 CE2 TRP A 81 35.401 9.786 13.588 1.00 4.49 C ATOM 407 CE3 TRP A 81 34.100 11.209 12.094 1.00 5.01 C ATOM 408 CZ2 TRP A 81 34.520 9.996 14.650 1.00 6.36 C ATOM 409 CZ3 TRP A 81 33.193 11.392 13.146 1.00 6.96 C ATOM 410 CH2 TRP A 81 33.450 10.820 14.429 1.00 7.55 C ATOM 411 HE1 TRP A 81 36.969 8.535 14.331 1.00 0.00 H ATOM 412 H TRP A 81 39.048 10.777 10.787 1.00 0.00 H ATOM 413 N PRO A 82 36.706 13.334 11.733 1.00 3.62 N ATOM 414 CA PRO A 82 35.902 14.471 12.210 1.00 4.75 C ATOM 415 C PRO A 82 36.224 15.794 11.520 1.00 4.16 C ATOM 416 O PRO A 82 35.512 16.772 11.742 1.00 5.23 O ATOM 417 CB PRO A 82 36.290 14.592 13.696 1.00 4.51 C ATOM 418 CG PRO A 82 36.773 13.237 14.066 1.00 4.73 C ATOM 419 CD PRO A 82 37.525 12.788 12.834 1.00 3.97 C ATOM 420 N PHE A 83 37.322 15.815 10.749 1.00 3.14 N ATOM 421 CA PHE A 83 37.848 17.012 10.085 1.00 3.52 C ATOM 422 C PHE A 83 37.711 16.941 8.574 1.00 3.14 C ATOM 423 O PHE A 83 38.177 17.866 7.881 1.00 4.72 O ATOM 424 CB PHE A 83 39.324 17.201 10.469 1.00 4.29 C ATOM 425 CG PHE A 83 39.537 17.250 11.952 1.00 4.34 C ATOM 426 CD1 PHE A 83 39.389 18.435 12.652 1.00 5.57 C ATOM 427 CD2 PHE A 83 39.868 16.097 12.672 1.00 5.06 C ATOM 428 CE1 PHE A 83 39.577 18.491 13.999 1.00 6.20 C ATOM 429 CE2 PHE A 83 40.035 16.158 14.053 1.00 6.26 C ATOM 430 CZ PHE A 83 39.893 17.355 14.685 1.00 5.83 C ATOM 431 H PHE A 83 37.835 14.921 10.613 1.00 0.00 H ATOM 432 N GLN A 84 37.013 15.952 8.050 1.00 3.35 N ATOM 433 CA GLN A 84 36.933 15.767 6.589 1.00 3.42 C ATOM 434 C GLN A 84 35.793 16.499 5.927 1.00 4.04 C ATOM 435 O GLN A 84 35.619 16.440 4.708 1.00 5.53 O ATOM 436 CB GLN A 84 36.852 14.259 6.252 1.00 4.19 C ATOM 437 CG GLN A 84 38.195 13.546 6.438 1.00 4.97 C ATOM 438 CD GLN A 84 38.104 12.058 6.200 1.00 5.44 C ATOM 439 OE1 GLN A 84 37.030 11.479 6.333 1.00 7.69 O ATOM 440 NE2 GLN A 84 39.218 11.454 5.848 1.00 8.78 N ATOM 441 HE22 GLN A 84 40.098 12.000 5.752 1.00 0.00 H ATOM 442 HE21 GLN A 84 39.219 10.430 5.666 1.00 0.00 H ATOM 443 H GLN A 84 36.511 15.292 8.677 1.00 0.00 H ATOM 444 N GLN A 85 34.988 17.194 6.728 1.00 4.05 N ATOM 445 CA GLN A 85 33.824 17.930 6.205 1.00 4.41 C ATOM 446 C GLN A 85 33.531 19.060 7.184 1.00 3.79 C ATOM 447 O GLN A 85 33.955 18.984 8.340 1.00 3.69 O ATOM 448 CB GLN A 85 32.584 16.992 6.092 1.00 5.19 C ATOM 449 CG GLN A 85 32.155 16.339 7.392 1.00 5.65 C ATOM 450 CD GLN A 85 33.085 15.234 7.844 1.00 5.31 C ATOM 451 OE1 GLN A 85 33.422 14.373 7.037 1.00 7.69 O ATOM 452 NE2 GLN A 85 33.512 15.260 9.097 1.00 6.10 N ATOM 453 HE22 GLN A 85 33.194 16.014 9.739 1.00 0.00 H ATOM 454 HE21 GLN A 85 34.165 14.527 9.439 1.00 0.00 H ATOM 455 H GLN A 85 35.186 17.218 7.749 1.00 0.00 H ATOM 456 N PRO A 86 32.723 20.056 6.805 1.00 4.25 N ATOM 457 CA PRO A 86 32.349 21.083 7.738 1.00 3.87 C ATOM 458 C PRO A 86 31.704 20.534 8.982 1.00 4.14 C ATOM 459 O PRO A 86 30.959 19.569 8.924 1.00 5.22 O ATOM 460 CB PRO A 86 31.352 21.934 6.918 1.00 4.88 C ATOM 461 CG PRO A 86 31.791 21.771 5.496 1.00 5.95 C ATOM 462 CD PRO A 86 32.294 20.339 5.422 1.00 5.30 C ATOM 463 N VAL A 87 31.912 21.187 10.111 1.00 3.96 N ATOM 464 CA VAL A 87 31.222 20.836 11.348 1.00 5.03 C ATOM 465 C VAL A 87 29.734 21.143 11.137 1.00 5.07 C ATOM 466 O VAL A 87 29.368 22.260 10.747 1.00 6.37 O ATOM 467 CB VAL A 87 31.755 21.682 12.505 1.00 5.84 C ATOM 468 CG1 VAL A 87 30.908 21.509 13.751 1.00 6.85 C ATOM 469 CG2 VAL A 87 33.211 21.344 12.790 1.00 6.24 C ATOM 470 H VAL A 87 32.589 21.976 10.119 1.00 0.00 H ATOM 471 N ASP A 88 28.900 20.156 11.373 1.00 6.69 N ATOM 472 CA ASP A 88 27.451 20.294 11.210 1.00 7.66 C ATOM 473 C ASP A 88 26.874 20.496 12.610 1.00 7.59 C ATOM 474 O ASP A 88 26.641 19.537 13.359 1.00 8.07 O ATOM 475 CB ASP A 88 26.898 19.061 10.486 1.00 7.86 C ATOM 476 CG ASP A 88 25.400 19.183 10.205 1.00 8.16 C ATOM 477 OD1 ASP A 88 24.724 19.945 10.911 1.00 8.28 O ATOM 478 OD2 ASP A 88 24.971 18.530 9.280 1.00 12.32 O ATOM 479 H ASP A 88 29.283 19.242 11.688 1.00 0.00 H ATOM 480 N ALA A 89 26.726 21.744 13.017 1.00 9.35 N ATOM 481 CA ALA A 89 26.324 22.062 14.379 1.00 9.46 C ATOM 482 C ALA A 89 24.873 21.662 14.612 1.00 10.84 C ATOM 483 O ALA A 89 24.458 21.531 15.768 1.00 16.36 O ATOM 484 CB ALA A 89 26.520 23.543 14.605 1.00 12.88 C ATOM 485 H ALA A 89 26.901 22.519 12.347 1.00 0.00 H ATOM 486 N VAL A 90 24.068 21.496 13.555 1.00 9.57 N ATOM 487 CA VAL A 90 22.665 21.074 13.691 1.00 10.96 C ATOM 488 C VAL A 90 22.656 19.595 14.003 1.00 12.87 C ATOM 489 O VAL A 90 22.087 19.168 15.032 1.00 15.21 O ATOM 490 CB VAL A 90 21.805 21.401 12.442 1.00 13.40 C ATOM 491 CG1 VAL A 90 20.403 20.843 12.583 1.00 14.11 C ATOM 492 CG2 VAL A 90 21.798 22.908 12.228 1.00 15.19 C ATOM 493 H VAL A 90 24.448 21.672 12.603 1.00 0.00 H ATOM 494 N LYS A 91 23.351 18.797 13.215 1.00 9.09 N ATOM 495 CA LYS A 91 23.387 17.358 13.449 1.00 10.52 C ATOM 496 C LYS A 91 24.048 17.013 14.783 1.00 9.88 C ATOM 497 O LYS A 91 23.610 16.098 15.484 1.00 15.60 O ATOM 498 CB LYS A 91 24.146 16.666 12.323 1.00 14.59 C ATOM 499 CG LYS A 91 24.060 15.161 12.380 1.00 19.53 C ATOM 500 CD LYS A 91 24.623 14.547 11.114 1.00 24.42 C ATOM 501 CE LYS A 91 23.662 14.645 9.954 1.00 27.37 C ATOM 502 NZ LYS A 91 24.028 13.747 8.820 1.00 33.89 N ATOM 503 HZ1 LYS A 91 24.974 14.000 8.471 1.00 0.00 H ATOM 504 HZ2 LYS A 91 24.030 12.760 9.148 1.00 0.00 H ATOM 505 HZ3 LYS A 91 23.333 13.857 8.054 1.00 0.00 H ATOM 506 H LYS A 91 23.881 19.200 12.416 1.00 0.00 H ATOM 507 N LEU A 92 25.055 17.771 15.143 1.00 9.38 N ATOM 508 CA LEU A 92 25.866 17.490 16.316 1.00 9.37 C ATOM 509 C LEU A 92 25.361 18.191 17.585 1.00 11.94 C ATOM 510 O LEU A 92 25.935 18.066 18.665 1.00 15.60 O ATOM 511 CB LEU A 92 27.337 17.790 16.015 1.00 9.70 C ATOM 512 CG LEU A 92 28.019 17.034 14.850 1.00 9.59 C ATOM 513 CD1 LEU A 92 29.463 17.460 14.693 1.00 11.53 C ATOM 514 CD2 LEU A 92 27.924 15.530 15.018 1.00 9.60 C ATOM 515 H LEU A 92 25.283 18.606 14.567 1.00 0.00 H ATOM 516 N ASN A 93 24.262 18.931 17.446 1.00 11.30 N ATOM 517 CA ASN A 93 23.665 19.657 18.550 1.00 12.88 C ATOM 518 C ASN A 93 24.657 20.550 19.287 1.00 14.97 C ATOM 519 O ASN A 93 24.873 20.438 20.491 1.00 14.22 O ATOM 520 CB ASN A 93 22.956 18.662 19.482 1.00 15.36 C ATOM 521 CG ASN A 93 22.160 19.337 20.574 1.00 21.50 C ATOM 522 OD1 ASN A 93 21.674 20.441 20.419 1.00 27.10 O ATOM 523 ND2 ASN A 93 22.054 18.667 21.705 1.00 29.16 N ATOM 524 HD22 ASN A 93 22.486 17.725 21.794 1.00 0.00 H ATOM 525 HD21 ASN A 93 21.539 19.081 22.508 1.00 0.00 H ATOM 526 H ASN A 93 23.815 18.990 16.509 1.00 0.00 H ATOM 527 N LEU A 94 25.265 21.461 18.534 1.00 11.58 N ATOM 528 CA LEU A 94 26.178 22.461 19.053 1.00 12.90 C ATOM 529 C LEU A 94 25.586 23.842 18.737 1.00 14.02 C ATOM 530 O LEU A 94 26.073 24.554 17.853 1.00 11.51 O ATOM 531 CB LEU A 94 27.548 22.315 18.369 1.00 11.97 C ATOM 532 CG LEU A 94 28.130 20.901 18.317 1.00 11.65 C ATOM 533 CD1 LEU A 94 29.423 20.890 17.484 1.00 11.49 C ATOM 534 CD2 LEU A 94 28.376 20.380 19.734 1.00 13.36 C ATOM 535 H LEU A 94 25.075 21.456 17.512 1.00 0.00 H ATOM 536 N PRO A 95 24.545 24.263 19.472 1.00 12.66 N ATOM 537 CA PRO A 95 23.912 25.532 19.105 1.00 12.75 C ATOM 538 C PRO A 95 24.743 26.825 19.210 1.00 14.52 C ATOM 539 O PRO A 95 24.393 27.824 18.579 1.00 17.94 O ATOM 540 CB PRO A 95 22.697 25.605 20.073 1.00 15.31 C ATOM 541 CG PRO A 95 23.009 24.637 21.160 1.00 17.55 C ATOM 542 CD PRO A 95 23.787 23.547 20.517 1.00 14.23 C ATOM 543 N ASP A 96 25.854 26.800 19.950 1.00 11.91 N ATOM 544 CA ASP A 96 26.709 27.945 20.184 1.00 12.19 C ATOM 545 C ASP A 96 27.961 27.969 19.248 1.00 10.08 C ATOM 546 O ASP A 96 28.791 28.826 19.375 1.00 10.84 O ATOM 547 CB ASP A 96 27.178 27.988 21.652 1.00 16.20 C ATOM 548 CG ASP A 96 27.814 26.652 22.124 1.00 18.79 C ATOM 549 OD1 ASP A 96 27.682 25.606 21.426 1.00 18.33 O ATOM 550 OD2 ASP A 96 28.452 26.647 23.201 1.00 31.43 O ATOM 551 H ASP A 96 26.124 25.896 20.388 1.00 0.00 H ATOM 552 N TYR A 97 28.061 26.997 18.367 1.00 8.99 N ATOM 553 CA TYR A 97 29.302 26.817 17.588 1.00 6.79 C ATOM 554 C TYR A 97 29.713 28.075 16.788 1.00 7.53 C ATOM 555 O TYR A 97 30.832 28.557 16.901 1.00 7.75 O ATOM 556 CB TYR A 97 29.181 25.579 16.714 1.00 6.11 C ATOM 557 CG TYR A 97 30.480 25.230 16.008 1.00 5.31 C ATOM 558 CD1 TYR A 97 31.484 24.548 16.663 1.00 5.32 C ATOM 559 CD2 TYR A 97 30.707 25.616 14.678 1.00 5.67 C ATOM 560 CE1 TYR A 97 32.689 24.243 16.030 1.00 4.91 C ATOM 561 CE2 TYR A 97 31.893 25.292 14.029 1.00 5.07 C ATOM 562 CZ TYR A 97 32.904 24.659 14.725 1.00 4.47 C ATOM 563 OH TYR A 97 34.094 24.450 14.073 1.00 3.99 O ATOM 564 HH TYR A 97 34.726 23.991 14.681 1.00 0.00 H ATOM 565 H TYR A 97 27.260 26.351 18.218 1.00 0.00 H ATOM 566 N TYR A 98 28.753 28.712 16.117 1.00 8.15 N ATOM 567 CA TYR A 98 29.028 29.900 15.291 1.00 9.07 C ATOM 568 C TYR A 98 29.065 31.237 16.064 1.00 9.88 C ATOM 569 O TYR A 98 29.330 32.259 15.460 1.00 9.41 O ATOM 570 CB TYR A 98 28.079 29.975 14.071 1.00 10.12 C ATOM 571 CG TYR A 98 28.169 28.712 13.276 1.00 7.52 C ATOM 572 CD1 TYR A 98 29.343 28.448 12.474 1.00 7.77 C ATOM 573 CD2 TYR A 98 27.169 27.771 13.313 1.00 8.60 C ATOM 574 CE1 TYR A 98 29.472 27.289 11.788 1.00 6.71 C ATOM 575 CE2 TYR A 98 27.298 26.581 12.615 1.00 7.37 C ATOM 576 CZ TYR A 98 28.386 26.341 11.879 1.00 7.40 C ATOM 577 OH TYR A 98 28.459 25.187 11.178 1.00 8.71 O ATOM 578 HH TYR A 98 29.318 25.154 10.687 1.00 0.00 H ATOM 579 H TYR A 98 27.777 28.358 16.179 1.00 0.00 H ATOM 580 N LYS A 99 28.743 31.245 17.364 1.00 8.54 N ATOM 581 CA LYS A 99 29.014 32.388 18.212 1.00 9.23 C ATOM 582 C LYS A 99 30.445 32.679 18.417 1.00 8.10 C ATOM 583 O LYS A 99 30.852 33.831 18.580 1.00 10.99 O ATOM 584 CB LYS A 99 28.236 32.248 19.516 1.00 9.97 C ATOM 585 CG LYS A 99 26.718 32.075 19.322 1.00 14.41 C ATOM 586 CD LYS A 99 25.915 31.968 20.619 1.00 21.32 C ATOM 587 CE LYS A 99 24.419 32.003 20.344 1.00 30.63 C ATOM 588 NZ LYS A 99 23.945 30.716 19.762 1.00 33.92 N ATOM 589 HZ1 LYS A 99 24.442 30.538 18.866 1.00 0.00 H ATOM 590 HZ2 LYS A 99 24.141 29.942 20.429 1.00 0.00 H ATOM 591 HZ3 LYS A 99 22.922 30.773 19.586 1.00 0.00 H ATOM 592 H LYS A 99 28.285 30.407 17.776 1.00 0.00 H ATOM 593 N ILE A 100 31.301 31.629 18.356 1.00 7.85 N ATOM 594 CA ILE A 100 32.756 31.798 18.478 1.00 7.52 C ATOM 595 C ILE A 100 33.452 31.423 17.180 1.00 5.23 C ATOM 596 O ILE A 100 34.487 32.025 16.888 1.00 7.91 O ATOM 597 CB ILE A 100 33.284 31.037 19.705 1.00 6.28 C ATOM 598 CG1 ILE A 100 34.733 31.409 20.035 1.00 7.47 C ATOM 599 CG2 ILE A 100 33.254 29.535 19.606 1.00 5.51 C ATOM 600 CD1 ILE A 100 34.953 32.889 20.376 1.00 9.40 C ATOM 601 H ILE A 100 30.915 30.673 18.218 1.00 0.00 H ATOM 602 N ILE A 101 32.909 30.437 16.388 1.00 5.97 N ATOM 603 CA ILE A 101 33.578 30.025 15.115 1.00 4.66 C ATOM 604 C ILE A 101 33.017 30.853 13.961 1.00 4.42 C ATOM 605 O ILE A 101 32.024 30.486 13.327 1.00 6.70 O ATOM 606 CB ILE A 101 33.511 28.518 14.848 1.00 3.80 C ATOM 607 CG1 ILE A 101 34.106 27.682 16.000 1.00 3.81 C ATOM 608 CG2 ILE A 101 34.247 28.213 13.524 1.00 4.01 C ATOM 609 CD1 ILE A 101 35.462 28.166 16.450 1.00 3.96 C ATOM 610 H ILE A 101 32.024 29.973 16.678 1.00 0.00 H ATOM 611 N LYS A 102 33.663 31.972 13.735 1.00 4.71 N ATOM 612 CA LYS A 102 33.294 32.880 12.643 1.00 5.29 C ATOM 613 C LYS A 102 34.063 32.622 11.366 1.00 5.16 C ATOM 614 O LYS A 102 33.690 33.144 10.340 1.00 6.65 O ATOM 615 CB LYS A 102 33.441 34.330 13.075 1.00 6.87 C ATOM 616 CG LYS A 102 32.704 34.743 14.311 1.00 9.06 C ATOM 617 CD LYS A 102 31.252 34.572 14.178 1.00 9.84 C ATOM 618 CE LYS A 102 30.552 35.312 15.297 1.00 10.50 C ATOM 619 NZ LYS A 102 29.100 35.017 15.276 1.00 10.89 N ATOM 620 HZ1 LYS A 102 28.699 35.319 14.365 1.00 0.00 H ATOM 621 HZ2 LYS A 102 28.953 33.995 15.399 1.00 0.00 H ATOM 622 HZ3 LYS A 102 28.632 35.531 16.049 1.00 0.00 H ATOM 623 H LYS A 102 34.463 32.224 14.350 1.00 0.00 H ATOM 624 N THR A 103 35.081 31.755 11.390 1.00 4.46 N ATOM 625 CA THR A 103 35.846 31.368 10.208 1.00 4.93 C ATOM 626 C THR A 103 35.925 29.841 10.146 1.00 3.43 C ATOM 627 O THR A 103 36.987 29.230 10.395 1.00 3.62 O ATOM 628 CB THR A 103 37.277 31.982 10.174 1.00 7.28 C ATOM 629 OG1 THR A 103 37.195 33.385 10.466 1.00 12.12 O ATOM 630 CG2 THR A 103 37.854 31.821 8.812 1.00 9.18 C ATOM 631 HG1 THR A 103 36.626 33.829 9.789 1.00 0.00 H ATOM 632 H THR A 103 35.343 31.332 12.303 1.00 0.00 H ATOM 633 N PRO A 104 34.805 29.170 9.845 1.00 3.67 N ATOM 634 CA PRO A 104 34.837 27.713 9.754 1.00 3.91 C ATOM 635 C PRO A 104 35.790 27.209 8.693 1.00 3.19 C ATOM 636 O PRO A 104 35.984 27.838 7.660 1.00 3.93 O ATOM 637 CB PRO A 104 33.399 27.349 9.394 1.00 5.25 C ATOM 638 CG PRO A 104 32.599 28.574 9.514 1.00 6.46 C ATOM 639 CD PRO A 104 33.474 29.736 9.538 1.00 4.80 C ATOM 640 N MET A 105 36.417 26.061 8.959 1.00 3.01 N ATOM 641 CA MET A 105 37.286 25.446 7.961 1.00 3.11 C ATOM 642 C MET A 105 37.389 23.978 8.254 1.00 3.15 C ATOM 643 O MET A 105 37.298 23.572 9.420 1.00 4.60 O ATOM 644 CB MET A 105 38.666 26.124 7.955 1.00 3.47 C ATOM 645 CG MET A 105 39.596 25.719 6.827 1.00 4.89 C ATOM 646 SD MET A 105 38.893 25.760 5.166 1.00 5.13 S ATOM 647 CE MET A 105 38.322 27.464 5.039 1.00 5.54 C ATOM 648 H MET A 105 36.285 25.602 9.883 1.00 0.00 H ATOM 649 N ASP A 106 37.658 23.172 7.226 1.00 3.46 N ATOM 650 CA ASP A 106 37.787 21.721 7.366 1.00 3.57 C ATOM 651 C ASP A 106 38.619 21.211 6.202 1.00 3.39 C ATOM 652 O ASP A 106 38.836 21.914 5.210 1.00 3.08 O ATOM 653 CB ASP A 106 36.407 21.063 7.311 1.00 4.11 C ATOM 654 CG ASP A 106 35.735 21.300 5.959 1.00 4.31 C ATOM 655 OD1 ASP A 106 35.215 22.434 5.683 1.00 5.09 O ATOM 656 OD2 ASP A 106 35.820 20.402 5.094 1.00 5.83 O ATOM 657 H ASP A 106 37.782 23.593 6.283 1.00 0.00 H ATOM 658 N MET A 107 39.070 19.964 6.288 1.00 3.17 N ATOM 659 CA MET A 107 39.939 19.410 5.249 1.00 3.26 C ATOM 660 C MET A 107 39.231 19.109 3.959 1.00 3.21 C ATOM 661 O MET A 107 39.878 19.088 2.894 1.00 3.56 O ATOM 662 CB MET A 107 40.659 18.148 5.709 1.00 4.69 C ATOM 663 CG MET A 107 41.623 18.366 6.849 1.00 5.33 C ATOM 664 SD MET A 107 42.907 17.128 7.030 1.00 7.99 S ATOM 665 CE MET A 107 41.870 15.795 7.501 1.00 7.36 C ATOM 666 H MET A 107 38.802 19.375 7.103 1.00 0.00 H ATOM 667 N GLY A 108 37.936 18.838 3.998 1.00 3.56 N ATOM 668 CA GLY A 108 37.209 18.655 2.739 1.00 3.64 C ATOM 669 C GLY A 108 37.252 19.910 1.879 1.00 3.38 C ATOM 670 O GLY A 108 37.501 19.848 0.671 1.00 4.76 O ATOM 671 H GLY A 108 37.442 18.756 4.909 1.00 0.00 H ATOM 672 N THR A 109 37.055 21.052 2.523 1.00 3.43 N ATOM 673 CA THR A 109 37.126 22.332 1.875 1.00 3.37 C ATOM 674 C THR A 109 38.549 22.574 1.350 1.00 2.89 C ATOM 675 O THR A 109 38.722 23.012 0.199 1.00 3.49 O ATOM 676 CB THR A 109 36.728 23.425 2.856 1.00 3.77 C ATOM 677 OG1 THR A 109 35.337 23.283 3.169 1.00 5.13 O ATOM 678 CG2 THR A 109 36.983 24.803 2.316 1.00 4.17 C ATOM 679 HG1 THR A 109 34.803 23.366 2.339 1.00 0.00 H ATOM 680 H THR A 109 36.840 21.020 3.540 1.00 0.00 H ATOM 681 N ILE A 110 39.577 22.300 2.164 1.00 2.72 N ATOM 682 CA ILE A 110 40.962 22.526 1.739 1.00 2.84 C ATOM 683 C ILE A 110 41.283 21.646 0.532 1.00 2.92 C ATOM 684 O ILE A 110 41.900 22.129 -0.442 1.00 3.63 O ATOM 685 CB ILE A 110 41.936 22.241 2.908 1.00 3.07 C ATOM 686 CG1 ILE A 110 41.726 23.247 4.023 1.00 3.05 C ATOM 687 CG2 ILE A 110 43.384 22.274 2.418 1.00 4.46 C ATOM 688 CD1 ILE A 110 42.450 22.927 5.341 1.00 3.95 C ATOM 689 H ILE A 110 39.389 21.920 3.114 1.00 0.00 H ATOM 690 N LYS A 111 40.884 20.376 0.578 1.00 3.20 N ATOM 691 CA LYS A 111 41.126 19.464 -0.532 1.00 4.17 C ATOM 692 C LYS A 111 40.519 20.022 -1.841 1.00 3.87 C ATOM 693 O LYS A 111 41.183 20.063 -2.885 1.00 5.22 O ATOM 694 CB LYS A 111 40.556 18.109 -0.168 1.00 4.82 C ATOM 695 CG LYS A 111 40.730 17.026 -1.205 1.00 6.76 C ATOM 696 CD LYS A 111 40.276 15.683 -0.637 1.00 9.32 C ATOM 697 CE LYS A 111 40.585 14.486 -1.494 1.00 15.25 C ATOM 698 NZ LYS A 111 39.780 14.544 -2.724 1.00 19.91 N ATOM 699 HZ1 LYS A 111 38.770 14.543 -2.476 1.00 0.00 H ATOM 700 HZ2 LYS A 111 40.009 15.414 -3.246 1.00 0.00 H ATOM 701 HZ3 LYS A 111 39.994 13.716 -3.316 1.00 0.00 H ATOM 702 H LYS A 111 40.389 20.028 1.424 1.00 0.00 H ATOM 703 N LYS A 112 39.255 20.423 -1.777 1.00 4.29 N ATOM 704 CA LYS A 112 38.575 20.972 -2.940 1.00 4.72 C ATOM 705 C LYS A 112 39.248 22.244 -3.404 1.00 4.67 C ATOM 706 O LYS A 112 39.401 22.444 -4.619 1.00 5.68 O ATOM 707 CB LYS A 112 37.104 21.195 -2.658 1.00 6.05 C ATOM 708 CG LYS A 112 36.288 19.901 -2.613 1.00 9.00 C ATOM 709 CD LYS A 112 34.902 20.208 -2.114 1.00 14.56 C ATOM 710 CE LYS A 112 34.110 18.966 -1.828 1.00 19.96 C ATOM 711 NZ LYS A 112 32.817 19.372 -1.229 1.00 27.14 N ATOM 712 HZ1 LYS A 112 32.994 19.896 -0.348 1.00 0.00 H ATOM 713 HZ2 LYS A 112 32.302 19.980 -1.898 1.00 0.00 H ATOM 714 HZ3 LYS A 112 32.251 18.524 -1.022 1.00 0.00 H ATOM 715 H LYS A 112 38.740 20.343 -0.877 1.00 0.00 H ATOM 716 N ARG A 113 39.651 23.123 -2.497 1.00 3.93 N ATOM 717 CA ARG A 113 40.349 24.338 -2.895 1.00 4.33 C ATOM 718 C ARG A 113 41.622 24.022 -3.674 1.00 4.46 C ATOM 719 O ARG A 113 41.888 24.631 -4.713 1.00 5.46 O ATOM 720 CB ARG A 113 40.625 25.186 -1.679 1.00 3.71 C ATOM 721 CG ARG A 113 39.390 25.899 -1.147 1.00 3.67 C ATOM 722 CD ARG A 113 39.626 26.729 0.087 1.00 4.03 C ATOM 723 NE ARG A 113 38.442 27.525 0.359 1.00 3.68 N ATOM 724 CZ ARG A 113 38.416 28.646 1.085 1.00 3.88 C ATOM 725 NH1 ARG A 113 39.442 29.039 1.822 1.00 4.81 N ATOM 726 NH2 ARG A 113 37.299 29.328 1.112 1.00 5.31 N ATOM 727 HE ARG A 113 37.542 27.196 -0.044 1.00 0.00 H ATOM 728 HH12 ARG A 113 39.380 29.919 2.373 1.00 0.00 H ATOM 729 HH11 ARG A 113 40.311 28.468 1.851 1.00 0.00 H ATOM 730 HH22 ARG A 113 37.239 30.206 1.666 1.00 0.00 H ATOM 731 HH21 ARG A 113 36.471 28.992 0.580 1.00 0.00 H ATOM 732 H ARG A 113 39.467 22.943 -1.489 1.00 0.00 H ATOM 733 N LEU A 114 42.406 23.072 -3.185 1.00 4.16 N ATOM 734 CA LEU A 114 43.626 22.652 -3.890 1.00 4.59 C ATOM 735 C LEU A 114 43.290 22.098 -5.247 1.00 5.39 C ATOM 736 O LEU A 114 43.939 22.437 -6.253 1.00 6.74 O ATOM 737 CB LEU A 114 44.446 21.672 -3.111 1.00 4.80 C ATOM 738 CG LEU A 114 45.178 22.276 -1.874 1.00 4.85 C ATOM 739 CD1 LEU A 114 45.489 21.225 -0.820 1.00 5.10 C ATOM 740 CD2 LEU A 114 46.414 23.041 -2.284 1.00 4.72 C ATOM 741 H LEU A 114 42.154 22.615 -2.286 1.00 0.00 H ATOM 742 N GLU A 115 42.292 21.226 -5.300 1.00 5.52 N ATOM 743 CA GLU A 115 41.927 20.584 -6.561 1.00 6.16 C ATOM 744 C GLU A 115 41.396 21.558 -7.603 1.00 6.71 C ATOM 745 O GLU A 115 41.555 21.340 -8.824 1.00 9.84 O ATOM 746 CB GLU A 115 40.884 19.497 -6.320 1.00 7.83 C ATOM 747 CG GLU A 115 41.428 18.297 -5.578 1.00 9.02 C ATOM 748 CD GLU A 115 40.351 17.398 -4.984 1.00 13.26 C ATOM 749 OE1 GLU A 115 39.151 17.787 -4.889 1.00 14.22 O ATOM 750 OE2 GLU A 115 40.752 16.285 -4.625 1.00 18.40 O ATOM 751 H GLU A 115 41.763 20.997 -4.434 1.00 0.00 H ATOM 752 N ASN A 116 40.784 22.652 -7.167 1.00 6.20 N ATOM 753 CA ASN A 116 40.207 23.658 -8.056 1.00 6.68 C ATOM 754 C ASN A 116 41.076 24.903 -8.235 1.00 7.30 C ATOM 755 O ASN A 116 40.590 25.922 -8.732 1.00 7.91 O ATOM 756 CB ASN A 116 38.850 24.066 -7.528 1.00 7.58 C ATOM 757 CG ASN A 116 37.822 22.989 -7.645 1.00 10.55 C ATOM 758 OD1 ASN A 116 37.568 22.474 -8.729 1.00 17.14 O ATOM 759 ND2 ASN A 116 37.140 22.748 -6.566 1.00 13.08 N ATOM 760 HD22 ASN A 116 37.399 23.213 -5.672 1.00 0.00 H ATOM 761 HD21 ASN A 116 36.335 22.090 -6.596 1.00 0.00 H ATOM 762 H ASN A 116 40.711 22.801 -6.140 1.00 0.00 H ATOM 763 N ASN A 117 42.337 24.826 -7.795 1.00 6.50 N ATOM 764 CA ASN A 117 43.277 25.971 -7.976 1.00 7.25 C ATOM 765 C ASN A 117 42.765 27.234 -7.356 1.00 7.01 C ATOM 766 O ASN A 117 42.978 28.343 -7.830 1.00 9.19 O ATOM 767 CB ASN A 117 43.557 26.192 -9.481 1.00 9.85 C ATOM 768 CG ASN A 117 43.928 24.915 -10.184 1.00 12.67 C ATOM 769 OD1 ASN A 117 43.181 24.459 -11.056 1.00 20.06 O ATOM 770 ND2 ASN A 117 45.017 24.302 -9.806 1.00 12.95 N ATOM 771 HD22 ASN A 117 45.619 24.719 -9.068 1.00 0.00 H ATOM 772 HD21 ASN A 117 45.282 23.396 -10.243 1.00 0.00 H ATOM 773 H ASN A 117 42.665 23.960 -7.322 1.00 0.00 H ATOM 774 N TYR A 118 42.083 27.112 -6.217 1.00 5.84 N ATOM 775 CA TYR A 118 41.548 28.258 -5.511 1.00 5.29 C ATOM 776 C TYR A 118 42.663 29.069 -4.859 1.00 5.43 C ATOM 777 O TYR A 118 42.526 30.273 -4.670 1.00 7.72 O ATOM 778 CB TYR A 118 40.551 27.753 -4.442 1.00 4.82 C ATOM 779 CG TYR A 118 39.686 28.746 -3.738 1.00 5.13 C ATOM 780 CD1 TYR A 118 38.469 29.141 -4.283 1.00 7.50 C ATOM 781 CD2 TYR A 118 40.039 29.315 -2.516 1.00 5.80 C ATOM 782 CE1 TYR A 118 37.638 30.021 -3.631 1.00 7.73 C ATOM 783 CE2 TYR A 118 39.197 30.211 -1.857 1.00 6.47 C ATOM 784 CZ TYR A 118 37.983 30.571 -2.416 1.00 8.08 C ATOM 785 OH TYR A 118 37.118 31.442 -1.777 1.00 10.92 O ATOM 786 HH TYR A 118 36.310 31.571 -2.335 1.00 0.00 H ATOM 787 H TYR A 118 41.930 26.162 -5.822 1.00 0.00 H ATOM 788 N TYR A 119 43.715 28.410 -4.412 1.00 4.48 N ATOM 789 CA TYR A 119 44.828 29.057 -3.728 1.00 4.05 C ATOM 790 C TYR A 119 45.883 29.471 -4.762 1.00 4.29 C ATOM 791 O TYR A 119 46.235 28.706 -5.634 1.00 5.70 O ATOM 792 CB TYR A 119 45.482 28.116 -2.745 1.00 3.86 C ATOM 793 CG TYR A 119 44.621 27.547 -1.668 1.00 3.43 C ATOM 794 CD1 TYR A 119 43.996 28.355 -0.762 1.00 3.50 C ATOM 795 CD2 TYR A 119 44.554 26.169 -1.468 1.00 3.74 C ATOM 796 CE1 TYR A 119 43.275 27.803 0.327 1.00 3.56 C ATOM 797 CE2 TYR A 119 43.846 25.613 -0.406 1.00 4.26 C ATOM 798 CZ TYR A 119 43.242 26.448 0.512 1.00 3.28 C ATOM 799 OH TYR A 119 42.581 25.847 1.565 1.00 4.79 O ATOM 800 HH TYR A 119 42.192 26.544 2.150 1.00 0.00 H ATOM 801 H TYR A 119 43.752 27.380 -4.554 1.00 0.00 H ATOM 802 N TRP A 120 46.414 30.658 -4.560 1.00 3.35 N ATOM 803 CA TRP A 120 47.538 31.180 -5.335 1.00 3.13 C ATOM 804 C TRP A 120 48.828 31.044 -4.527 1.00 3.11 C ATOM 805 O TRP A 120 49.820 30.498 -5.034 1.00 4.49 O ATOM 806 CB TRP A 120 47.277 32.624 -5.719 1.00 3.69 C ATOM 807 CG TRP A 120 48.327 33.266 -6.594 1.00 4.07 C ATOM 808 CD1 TRP A 120 49.336 34.043 -6.168 1.00 4.41 C ATOM 809 CD2 TRP A 120 48.425 33.194 -8.011 1.00 3.24 C ATOM 810 NE1 TRP A 120 50.044 34.512 -7.236 1.00 4.94 N ATOM 811 CE2 TRP A 120 49.516 34.023 -8.394 1.00 4.29 C ATOM 812 CE3 TRP A 120 47.665 32.593 -9.014 1.00 3.96 C ATOM 813 CZ2 TRP A 120 49.888 34.206 -9.729 1.00 5.11 C ATOM 814 CZ3 TRP A 120 48.050 32.768 -10.341 1.00 3.98 C ATOM 815 CH2 TRP A 120 49.136 33.584 -10.682 1.00 4.53 C ATOM 816 HE1 TRP A 120 50.865 35.148 -7.176 1.00 0.00 H ATOM 817 H TRP A 120 46.013 31.256 -3.810 1.00 0.00 H ATOM 818 N ASN A 121 48.835 31.551 -3.305 1.00 3.78 N ATOM 819 CA ASN A 121 49.969 31.469 -2.398 1.00 3.67 C ATOM 820 C ASN A 121 49.819 30.251 -1.495 1.00 4.01 C ATOM 821 O ASN A 121 48.735 29.966 -0.983 1.00 4.81 O ATOM 822 CB ASN A 121 50.084 32.718 -1.535 1.00 4.10 C ATOM 823 CG ASN A 121 50.479 33.946 -2.297 1.00 4.73 C ATOM 824 OD1 ASN A 121 51.302 33.892 -3.206 1.00 7.01 O ATOM 825 ND2 ASN A 121 49.905 35.047 -1.935 1.00 6.35 N ATOM 826 HD22 ASN A 121 49.213 35.042 -1.158 1.00 0.00 H ATOM 827 HD21 ASN A 121 50.135 35.937 -2.421 1.00 0.00 H ATOM 828 H ASN A 121 47.978 32.038 -2.973 1.00 0.00 H ATOM 829 N ALA A 122 50.918 29.528 -1.311 1.00 3.92 N ATOM 830 CA ALA A 122 50.938 28.408 -0.371 1.00 4.23 C ATOM 831 C ALA A 122 50.426 28.794 0.998 1.00 3.88 C ATOM 832 O ALA A 122 49.744 27.979 1.654 1.00 4.35 O ATOM 833 CB ALA A 122 52.339 27.842 -0.276 1.00 6.00 C ATOM 834 H ALA A 122 51.779 29.763 -1.845 1.00 0.00 H ATOM 835 N GLN A 123 50.749 29.998 1.448 1.00 3.97 N ATOM 836 CA GLN A 123 50.325 30.418 2.756 1.00 4.62 C ATOM 837 C GLN A 123 48.836 30.451 2.919 1.00 4.21 C ATOM 838 O GLN A 123 48.343 30.309 4.058 1.00 5.00 O ATOM 839 CB GLN A 123 50.942 31.760 3.170 1.00 6.13 C ATOM 840 CG GLN A 123 50.762 32.094 4.654 1.00 6.62 C ATOM 841 CD GLN A 123 51.354 31.082 5.615 1.00 7.44 C ATOM 842 OE1 GLN A 123 52.359 30.472 5.332 1.00 10.67 O ATOM 843 NE2 GLN A 123 50.735 30.942 6.789 1.00 10.57 N ATOM 844 HE22 GLN A 123 49.872 31.487 6.990 1.00 0.00 H ATOM 845 HE21 GLN A 123 51.115 30.288 7.503 1.00 0.00 H ATOM 846 H GLN A 123 51.311 30.641 0.854 1.00 0.00 H ATOM 847 N GLU A 124 48.071 30.668 1.837 1.00 3.65 N ATOM 848 CA GLU A 124 46.605 30.622 1.946 1.00 4.61 C ATOM 849 C GLU A 124 46.109 29.276 2.424 1.00 3.89 C ATOM 850 O GLU A 124 45.159 29.169 3.210 1.00 5.06 O ATOM 851 CB GLU A 124 45.937 30.954 0.609 1.00 5.36 C ATOM 852 CG GLU A 124 46.163 32.350 0.094 1.00 6.41 C ATOM 853 CD GLU A 124 45.611 32.532 -1.310 1.00 8.55 C ATOM 854 OE1 GLU A 124 46.320 32.366 -2.296 1.00 8.57 O ATOM 855 OE2 GLU A 124 44.440 32.879 -1.444 1.00 12.14 O ATOM 856 H GLU A 124 48.517 30.869 0.919 1.00 0.00 H ATOM 857 N CYS A 125 46.734 28.230 1.925 1.00 3.50 N ATOM 858 CA CYS A 125 46.375 26.862 2.310 1.00 3.64 C ATOM 859 C CYS A 125 46.840 26.533 3.728 1.00 3.28 C ATOM 860 O CYS A 125 46.091 25.983 4.538 1.00 3.70 O ATOM 861 CB CYS A 125 47.000 25.927 1.289 1.00 4.60 C ATOM 862 SG CYS A 125 46.776 24.166 1.661 1.00 5.92 S ATOM 863 H CYS A 125 47.502 28.378 1.240 1.00 0.00 H ATOM 864 N ILE A 126 48.081 26.899 4.053 1.00 3.49 N ATOM 865 CA ILE A 126 48.609 26.701 5.395 1.00 3.68 C ATOM 866 C ILE A 126 47.716 27.431 6.408 1.00 3.17 C ATOM 867 O ILE A 126 47.381 26.886 7.479 1.00 3.83 O ATOM 868 CB ILE A 126 50.071 27.200 5.455 1.00 4.39 C ATOM 869 CG1 ILE A 126 50.928 26.263 4.583 1.00 5.64 C ATOM 870 CG2 ILE A 126 50.573 27.235 6.896 1.00 4.74 C ATOM 871 CD1 ILE A 126 52.347 26.734 4.318 1.00 7.36 C ATOM 872 H ILE A 126 48.686 27.337 3.329 1.00 0.00 H ATOM 873 N GLN A 127 47.290 28.642 6.070 1.00 3.03 N ATOM 874 CA GLN A 127 46.409 29.407 6.955 1.00 3.84 C ATOM 875 C GLN A 127 45.108 28.632 7.210 1.00 3.22 C ATOM 876 O GLN A 127 44.594 28.630 8.337 1.00 3.54 O ATOM 877 CB GLN A 127 46.092 30.753 6.337 1.00 5.22 C ATOM 878 CG GLN A 127 45.175 31.646 7.174 1.00 8.53 C ATOM 879 CD GLN A 127 45.165 33.071 6.740 1.00 14.09 C ATOM 880 OE1 GLN A 127 46.208 33.726 6.731 1.00 19.32 O ATOM 881 NE2 GLN A 127 43.994 33.577 6.428 1.00 22.17 N ATOM 882 HE22 GLN A 127 43.145 32.977 6.453 1.00 0.00 H ATOM 883 HE21 GLN A 127 43.916 34.578 6.156 1.00 0.00 H ATOM 884 H GLN A 127 47.587 29.054 5.162 1.00 0.00 H ATOM 885 N ASP A 128 44.548 28.030 6.169 1.00 2.84 N ATOM 886 CA ASP A 128 43.319 27.240 6.325 1.00 2.85 C ATOM 887 C ASP A 128 43.505 26.030 7.235 1.00 2.93 C ATOM 888 O ASP A 128 42.665 25.764 8.105 1.00 2.60 O ATOM 889 CB ASP A 128 42.743 26.817 4.978 1.00 3.29 C ATOM 890 CG ASP A 128 41.962 27.921 4.276 1.00 4.21 C ATOM 891 OD1 ASP A 128 41.615 28.941 4.892 1.00 5.92 O ATOM 892 OD2 ASP A 128 41.620 27.733 3.073 1.00 4.76 O ATOM 893 H ASP A 128 44.985 28.118 5.229 1.00 0.00 H ATOM 894 N PHE A 129 44.602 25.286 7.070 1.00 2.75 N ATOM 895 CA PHE A 129 44.870 24.232 8.031 1.00 3.06 C ATOM 896 C PHE A 129 44.947 24.761 9.431 1.00 3.22 C ATOM 897 O PHE A 129 44.372 24.171 10.359 1.00 3.46 O ATOM 898 CB PHE A 129 46.194 23.495 7.711 1.00 3.68 C ATOM 899 CG PHE A 129 46.105 22.437 6.624 1.00 4.02 C ATOM 900 CD1 PHE A 129 45.560 21.190 6.916 1.00 5.41 C ATOM 901 CD2 PHE A 129 46.558 22.659 5.335 1.00 4.47 C ATOM 902 CE1 PHE A 129 45.510 20.192 5.965 1.00 6.73 C ATOM 903 CE2 PHE A 129 46.526 21.654 4.388 1.00 5.73 C ATOM 904 CZ PHE A 129 46.018 20.424 4.721 1.00 6.31 C ATOM 905 H PHE A 129 45.248 25.458 6.273 1.00 0.00 H ATOM 906 N ASN A 130 45.699 25.837 9.625 1.00 2.92 N ATOM 907 CA ASN A 130 45.844 26.390 10.972 1.00 3.51 C ATOM 908 C ASN A 130 44.513 26.845 11.568 1.00 3.06 C ATOM 909 O ASN A 130 44.245 26.555 12.742 1.00 3.80 O ATOM 910 CB ASN A 130 46.878 27.517 10.957 1.00 4.38 C ATOM 911 CG ASN A 130 48.293 26.960 10.847 1.00 7.32 C ATOM 912 OD1 ASN A 130 48.559 25.865 11.322 1.00 10.50 O ATOM 913 ND2 ASN A 130 49.143 27.690 10.268 1.00 12.44 N ATOM 914 HD22 ASN A 130 48.859 28.613 9.883 1.00 0.00 H ATOM 915 HD21 ASN A 130 50.128 27.369 10.176 1.00 0.00 H ATOM 916 H ASN A 130 46.184 26.286 8.822 1.00 0.00 H ATOM 917 N THR A 131 43.668 27.451 10.753 1.00 2.78 N ATOM 918 CA THR A 131 42.331 27.876 11.185 1.00 3.11 C ATOM 919 C THR A 131 41.511 26.675 11.637 1.00 2.52 C ATOM 920 O THR A 131 40.803 26.732 12.656 1.00 2.79 O ATOM 921 CB THR A 131 41.604 28.626 10.069 1.00 3.56 C ATOM 922 OG1 THR A 131 42.329 29.831 9.809 1.00 4.90 O ATOM 923 CG2 THR A 131 40.183 28.962 10.441 1.00 3.83 C ATOM 924 HG1 THR A 131 43.251 29.606 9.528 1.00 0.00 H ATOM 925 H THR A 131 43.960 27.633 9.772 1.00 0.00 H ATOM 926 N MET A 132 41.580 25.579 10.899 1.00 2.46 N ATOM 927 CA MET A 132 40.855 24.375 11.300 1.00 2.76 C ATOM 928 C MET A 132 41.279 23.955 12.722 1.00 2.77 C ATOM 929 O MET A 132 40.439 23.631 13.583 1.00 3.55 O ATOM 930 CB MET A 132 41.131 23.274 10.278 1.00 3.30 C ATOM 931 CG MET A 132 40.513 21.953 10.623 1.00 3.97 C ATOM 932 SD MET A 132 40.874 20.679 9.421 1.00 5.27 S ATOM 933 CE MET A 132 42.535 20.307 9.885 1.00 8.30 C ATOM 934 H MET A 132 42.152 25.574 10.031 1.00 0.00 H ATOM 935 N PHE A 133 42.581 23.901 12.975 1.00 2.56 N ATOM 936 CA PHE A 133 43.063 23.521 14.293 1.00 2.98 C ATOM 937 C PHE A 133 42.633 24.507 15.376 1.00 2.50 C ATOM 938 O PHE A 133 42.130 24.119 16.438 1.00 2.74 O ATOM 939 CB PHE A 133 44.592 23.322 14.302 1.00 4.08 C ATOM 940 CG PHE A 133 45.101 22.250 13.384 1.00 4.32 C ATOM 941 CD1 PHE A 133 44.600 20.960 13.433 1.00 6.41 C ATOM 942 CD2 PHE A 133 46.094 22.536 12.472 1.00 4.58 C ATOM 943 CE1 PHE A 133 45.046 19.979 12.586 1.00 6.78 C ATOM 944 CE2 PHE A 133 46.562 21.538 11.597 1.00 6.28 C ATOM 945 CZ PHE A 133 46.008 20.282 11.659 1.00 6.28 C ATOM 946 H PHE A 133 43.262 24.133 12.224 1.00 0.00 H ATOM 947 N THR A 134 42.847 25.781 15.131 1.00 2.36 N ATOM 948 CA THR A 134 42.578 26.754 16.155 1.00 2.61 C ATOM 949 C THR A 134 41.072 26.909 16.422 1.00 2.36 C ATOM 950 O THR A 134 40.661 27.181 17.562 1.00 2.75 O ATOM 951 CB THR A 134 43.267 28.115 15.884 1.00 3.00 C ATOM 952 OG1 THR A 134 42.885 28.618 14.596 1.00 3.67 O ATOM 953 CG2 THR A 134 44.731 27.985 16.007 1.00 3.28 C ATOM 954 HG1 THR A 134 41.903 28.741 14.569 1.00 0.00 H ATOM 955 H THR A 134 43.208 26.083 14.204 1.00 0.00 H ATOM 956 N ASN A 135 40.230 26.669 15.445 1.00 2.65 N ATOM 957 CA ASN A 135 38.789 26.619 15.676 1.00 2.58 C ATOM 958 C ASN A 135 38.501 25.547 16.704 1.00 2.36 C ATOM 959 O ASN A 135 37.718 25.729 17.628 1.00 2.47 O ATOM 960 CB ASN A 135 38.022 26.277 14.381 1.00 2.34 C ATOM 961 CG ASN A 135 37.955 27.402 13.389 1.00 2.46 C ATOM 962 OD1 ASN A 135 38.282 28.524 13.687 1.00 3.14 O ATOM 963 ND2 ASN A 135 37.466 27.095 12.202 1.00 2.83 N ATOM 964 HD22 ASN A 135 37.197 26.113 11.988 1.00 0.00 H ATOM 965 HD21 ASN A 135 37.350 27.835 11.480 1.00 0.00 H ATOM 966 H ASN A 135 40.597 26.511 14.485 1.00 0.00 H ATOM 967 N CYS A 136 39.094 24.382 16.503 1.00 2.14 N ATOM 968 CA CYS A 136 38.840 23.263 17.412 1.00 2.57 C ATOM 969 C CYS A 136 39.227 23.601 18.836 1.00 2.48 C ATOM 970 O CYS A 136 38.493 23.258 19.772 1.00 3.00 O ATOM 971 CB CYS A 136 39.623 22.056 16.882 1.00 3.09 C ATOM 972 SG CYS A 136 39.293 20.510 17.721 1.00 5.26 S ATOM 973 H CYS A 136 39.741 24.261 15.698 1.00 0.00 H ATOM 974 N TYR A 137 40.357 24.283 19.019 1.00 2.33 N ATOM 975 CA TYR A 137 40.848 24.587 20.357 1.00 2.48 C ATOM 976 C TYR A 137 40.105 25.702 21.075 1.00 2.41 C ATOM 977 O TYR A 137 40.228 25.811 22.300 1.00 2.58 O ATOM 978 CB TYR A 137 42.356 24.882 20.369 1.00 3.08 C ATOM 979 CG TYR A 137 43.221 23.925 19.644 1.00 3.09 C ATOM 980 CD1 TYR A 137 42.935 22.565 19.623 1.00 3.89 C ATOM 981 CD2 TYR A 137 44.343 24.374 18.953 1.00 3.79 C ATOM 982 CE1 TYR A 137 43.773 21.672 18.958 1.00 4.11 C ATOM 983 CE2 TYR A 137 45.181 23.501 18.269 1.00 3.97 C ATOM 984 CZ TYR A 137 44.890 22.136 18.268 1.00 4.09 C ATOM 985 OH TYR A 137 45.699 21.216 17.616 1.00 7.02 O ATOM 986 HH TYR A 137 46.611 21.250 18.000 1.00 0.00 H ATOM 987 H TYR A 137 40.899 24.604 18.191 1.00 0.00 H ATOM 988 N ILE A 138 39.397 26.575 20.341 1.00 2.14 N ATOM 989 CA ILE A 138 38.591 27.614 20.992 1.00 2.38 C ATOM 990 C ILE A 138 37.205 27.156 21.318 1.00 2.41 C ATOM 991 O ILE A 138 36.620 27.632 22.276 1.00 3.41 O ATOM 992 CB ILE A 138 38.607 28.952 20.226 1.00 2.67 C ATOM 993 CG1 ILE A 138 38.263 30.130 21.143 1.00 3.19 C ATOM 994 CG2 ILE A 138 37.748 28.901 19.006 1.00 2.74 C ATOM 995 CD1 ILE A 138 38.532 31.493 20.542 1.00 4.22 C ATOM 996 H ILE A 138 39.420 26.514 19.303 1.00 0.00 H ATOM 997 N TYR A 139 36.673 26.195 20.559 1.00 2.69 N ATOM 998 CA TYR A 139 35.307 25.731 20.813 1.00 3.26 C ATOM 999 C TYR A 139 35.269 24.610 21.847 1.00 3.00 C ATOM 1000 O TYR A 139 34.411 24.622 22.733 1.00 3.62 O ATOM 1001 CB TYR A 139 34.622 25.273 19.513 1.00 3.93 C ATOM 1002 CG TYR A 139 33.205 24.806 19.787 1.00 4.10 C ATOM 1003 CD1 TYR A 139 32.233 25.747 20.112 1.00 4.30 C ATOM 1004 CD2 TYR A 139 32.906 23.461 19.890 1.00 5.12 C ATOM 1005 CE1 TYR A 139 30.980 25.348 20.532 1.00 5.51 C ATOM 1006 CE2 TYR A 139 31.639 23.070 20.272 1.00 5.88 C ATOM 1007 CZ TYR A 139 30.705 24.034 20.606 1.00 6.63 C ATOM 1008 OH TYR A 139 29.444 23.626 21.028 1.00 11.62 O ATOM 1009 HH TYR A 139 28.891 24.422 21.230 1.00 0.00 H ATOM 1010 H TYR A 139 37.229 25.775 19.787 1.00 0.00 H ATOM 1011 N ASN A 140 36.150 23.628 21.699 1.00 2.76 N ATOM 1012 CA ASN A 140 36.070 22.393 22.472 1.00 2.85 C ATOM 1013 C ASN A 140 36.957 22.460 23.720 1.00 3.45 C ATOM 1014 O ASN A 140 38.048 23.006 23.673 1.00 4.38 O ATOM 1015 CB ASN A 140 36.512 21.214 21.604 1.00 2.67 C ATOM 1016 CG ASN A 140 35.618 21.005 20.418 1.00 2.78 C ATOM 1017 OD1 ASN A 140 34.522 20.461 20.502 1.00 3.71 O ATOM 1018 ND2 ASN A 140 36.097 21.458 19.265 1.00 3.40 N ATOM 1019 HD22 ASN A 140 37.031 21.914 19.233 1.00 0.00 H ATOM 1020 HD21 ASN A 140 35.538 21.357 18.394 1.00 0.00 H ATOM 1021 H ASN A 140 36.921 23.742 21.011 1.00 0.00 H ATOM 1022 N LYS A 141 36.438 21.908 24.814 1.00 4.42 N ATOM 1023 CA LYS A 141 37.151 21.900 26.061 1.00 5.09 C ATOM 1024 C LYS A 141 38.524 21.243 25.898 1.00 3.73 C ATOM 1025 O LYS A 141 38.635 20.169 25.266 1.00 4.85 O ATOM 1026 CB LYS A 141 36.312 21.120 27.099 1.00 6.93 C ATOM 1027 CG LYS A 141 36.892 21.141 28.516 1.00 9.20 C ATOM 1028 CD LYS A 141 36.004 20.320 29.475 1.00 14.36 C ATOM 1029 CE LYS A 141 34.767 21.061 29.879 1.00 18.82 C ATOM 1030 NZ LYS A 141 33.871 20.250 30.766 1.00 29.92 N ATOM 1031 HZ1 LYS A 141 33.577 19.388 30.264 1.00 0.00 H ATOM 1032 HZ2 LYS A 141 34.385 19.991 31.632 1.00 0.00 H ATOM 1033 HZ3 LYS A 141 33.031 20.811 31.015 1.00 0.00 H ATOM 1034 H LYS A 141 35.495 21.473 24.765 1.00 0.00 H ATOM 1035 N PRO A 142 39.587 21.800 26.512 1.00 4.57 N ATOM 1036 CA PRO A 142 40.875 21.129 26.488 1.00 5.17 C ATOM 1037 C PRO A 142 40.753 19.711 26.985 1.00 6.56 C ATOM 1038 O PRO A 142 39.989 19.446 27.930 1.00 7.23 O ATOM 1039 CB PRO A 142 41.751 21.980 27.421 1.00 5.88 C ATOM 1040 CG PRO A 142 41.099 23.328 27.370 1.00 6.67 C ATOM 1041 CD PRO A 142 39.661 23.105 27.198 1.00 5.68 C ATOM 1042 N GLY A 143 41.429 18.811 26.299 1.00 6.71 N ATOM 1043 CA GLY A 143 41.377 17.402 26.730 1.00 7.43 C ATOM 1044 C GLY A 143 40.230 16.579 26.148 1.00 6.69 C ATOM 1045 O GLY A 143 40.214 15.357 26.291 1.00 9.15 O ATOM 1046 H GLY A 143 41.989 19.090 25.468 1.00 0.00 H ATOM 1047 N ASP A 144 39.223 17.211 25.536 1.00 5.21 N ATOM 1048 CA ASP A 144 38.195 16.485 24.841 1.00 5.41 C ATOM 1049 C ASP A 144 38.856 15.669 23.717 1.00 4.57 C ATOM 1050 O ASP A 144 39.890 16.047 23.162 1.00 4.61 O ATOM 1051 CB ASP A 144 37.120 17.411 24.199 1.00 5.83 C ATOM 1052 CG ASP A 144 35.957 17.772 25.141 1.00 8.58 C ATOM 1053 OD1 ASP A 144 36.048 17.514 26.356 1.00 11.76 O ATOM 1054 OD2 ASP A 144 34.952 18.321 24.661 1.00 10.89 O ATOM 1055 H ASP A 144 39.183 18.250 25.563 1.00 0.00 H ATOM 1056 N ASP A 145 38.205 14.573 23.351 1.00 3.71 N ATOM 1057 CA ASP A 145 38.768 13.703 22.326 1.00 4.04 C ATOM 1058 C ASP A 145 39.044 14.428 20.999 1.00 3.51 C ATOM 1059 O ASP A 145 40.087 14.230 20.386 1.00 4.58 O ATOM 1060 CB ASP A 145 37.867 12.488 22.058 1.00 4.68 C ATOM 1061 CG ASP A 145 38.093 11.356 23.009 1.00 6.17 C ATOM 1062 OD1 ASP A 145 38.977 11.439 23.910 1.00 7.41 O ATOM 1063 OD2 ASP A 145 37.345 10.345 22.818 1.00 6.91 O ATOM 1064 H ASP A 145 37.295 14.335 23.794 1.00 0.00 H ATOM 1065 N ILE A 146 38.137 15.292 20.569 1.00 3.20 N ATOM 1066 CA ILE A 146 38.334 15.996 19.307 1.00 3.16 C ATOM 1067 C ILE A 146 39.599 16.860 19.366 1.00 3.16 C ATOM 1068 O ILE A 146 40.312 16.989 18.375 1.00 3.92 O ATOM 1069 CB ILE A 146 37.107 16.832 18.909 1.00 3.60 C ATOM 1070 CG1 ILE A 146 37.174 17.354 17.464 1.00 4.89 C ATOM 1071 CG2 ILE A 146 36.868 18.001 19.845 1.00 3.53 C ATOM 1072 CD1 ILE A 146 36.932 16.293 16.440 1.00 5.88 C ATOM 1073 H ILE A 146 37.281 15.469 21.133 1.00 0.00 H ATOM 1074 N VAL A 147 39.876 17.431 20.540 1.00 3.40 N ATOM 1075 CA VAL A 147 41.065 18.256 20.729 1.00 3.52 C ATOM 1076 C VAL A 147 42.332 17.433 20.684 1.00 3.56 C ATOM 1077 O VAL A 147 43.309 17.795 20.017 1.00 3.99 O ATOM 1078 CB VAL A 147 40.977 19.068 22.045 1.00 3.58 C ATOM 1079 CG1 VAL A 147 42.265 19.801 22.337 1.00 4.34 C ATOM 1080 CG2 VAL A 147 39.808 20.042 21.986 1.00 3.98 C ATOM 1081 H VAL A 147 39.228 17.284 21.340 1.00 0.00 H ATOM 1082 N LEU A 148 42.317 16.258 21.326 1.00 3.72 N ATOM 1083 CA LEU A 148 43.503 15.387 21.277 1.00 4.31 C ATOM 1084 C LEU A 148 43.741 14.875 19.872 1.00 4.18 C ATOM 1085 O LEU A 148 44.903 14.764 19.442 1.00 4.93 O ATOM 1086 CB LEU A 148 43.359 14.261 22.308 1.00 5.74 C ATOM 1087 CG LEU A 148 43.204 14.696 23.781 1.00 8.49 C ATOM 1088 CD1 LEU A 148 42.852 13.485 24.623 1.00 10.39 C ATOM 1089 CD2 LEU A 148 44.423 15.436 24.292 1.00 10.41 C ATOM 1090 H LEU A 148 41.473 15.962 21.856 1.00 0.00 H ATOM 1091 N MET A 149 42.677 14.600 19.126 1.00 3.57 N ATOM 1092 CA MET A 149 42.787 14.228 17.722 1.00 4.09 C ATOM 1093 C MET A 149 43.382 15.354 16.893 1.00 4.20 C ATOM 1094 O MET A 149 44.342 15.129 16.118 1.00 4.78 O ATOM 1095 CB MET A 149 41.425 13.816 17.174 1.00 4.27 C ATOM 1096 CG MET A 149 40.910 12.528 17.809 1.00 4.73 C ATOM 1097 SD MET A 149 39.167 12.211 17.498 1.00 6.70 S ATOM 1098 CE MET A 149 39.288 11.303 16.040 1.00 6.02 C ATOM 1099 H MET A 149 41.733 14.652 19.559 1.00 0.00 H ATOM 1100 N ALA A 150 42.864 16.565 17.050 1.00 3.94 N ATOM 1101 CA ALA A 150 43.409 17.731 16.341 1.00 4.06 C ATOM 1102 C ALA A 150 44.865 17.958 16.690 1.00 3.90 C ATOM 1103 O ALA A 150 45.665 18.267 15.774 1.00 5.01 O ATOM 1104 CB ALA A 150 42.602 18.970 16.691 1.00 4.13 C ATOM 1105 H ALA A 150 42.054 16.692 17.689 1.00 0.00 H ATOM 1106 N GLU A 151 45.253 17.794 17.957 1.00 3.93 N ATOM 1107 CA GLU A 151 46.665 17.989 18.347 1.00 4.58 C ATOM 1108 C GLU A 151 47.559 16.966 17.639 1.00 5.10 C ATOM 1109 O GLU A 151 48.672 17.321 17.198 1.00 5.62 O ATOM 1110 CB GLU A 151 46.850 17.923 19.866 1.00 4.99 C ATOM 1111 CG GLU A 151 46.231 19.099 20.625 1.00 6.25 C ATOM 1112 CD GLU A 151 46.264 19.001 22.140 1.00 10.78 C ATOM 1113 OE1 GLU A 151 46.607 17.960 22.691 1.00 15.57 O ATOM 1114 OE2 GLU A 151 45.915 19.990 22.806 1.00 13.88 O ATOM 1115 H GLU A 151 44.553 17.526 18.678 1.00 0.00 H ATOM 1116 N ALA A 152 47.106 15.725 17.516 1.00 5.15 N ATOM 1117 CA ALA A 152 47.916 14.722 16.813 1.00 5.21 C ATOM 1118 C ALA A 152 48.006 15.047 15.348 1.00 5.11 C ATOM 1119 O ALA A 152 49.090 14.940 14.743 1.00 6.57 O ATOM 1120 CB ALA A 152 47.319 13.340 17.010 1.00 5.91 C ATOM 1121 H ALA A 152 46.182 15.464 17.915 1.00 0.00 H ATOM 1122 N LEU A 153 46.929 15.504 14.731 1.00 4.50 N ATOM 1123 CA LEU A 153 46.949 15.898 13.348 1.00 4.64 C ATOM 1124 C LEU A 153 47.833 17.117 13.126 1.00 4.44 C ATOM 1125 O LEU A 153 48.528 17.191 12.099 1.00 4.67 O ATOM 1126 CB LEU A 153 45.546 16.162 12.812 1.00 4.96 C ATOM 1127 CG LEU A 153 44.650 14.918 12.714 1.00 6.53 C ATOM 1128 CD1 LEU A 153 43.230 15.321 12.381 1.00 9.12 C ATOM 1129 CD2 LEU A 153 45.146 13.926 11.663 1.00 7.30 C ATOM 1130 H LEU A 153 46.039 15.581 15.263 1.00 0.00 H ATOM 1131 N GLU A 154 47.794 18.061 14.037 1.00 4.29 N ATOM 1132 CA GLU A 154 48.623 19.259 13.905 1.00 4.37 C ATOM 1133 C GLU A 154 50.102 18.902 14.013 1.00 4.49 C ATOM 1134 O GLU A 154 50.915 19.448 13.271 1.00 5.01 O ATOM 1135 CB GLU A 154 48.238 20.292 14.954 1.00 5.14 C ATOM 1136 CG GLU A 154 49.002 21.584 14.824 1.00 6.36 C ATOM 1137 CD GLU A 154 48.646 22.665 15.800 1.00 9.45 C ATOM 1138 OE1 GLU A 154 48.022 22.394 16.804 1.00 11.40 O ATOM 1139 OE2 GLU A 154 49.080 23.806 15.540 1.00 13.95 O ATOM 1140 H GLU A 154 47.168 17.956 14.861 1.00 0.00 H ATOM 1141 N LYS A 155 50.463 17.995 14.909 1.00 4.78 N ATOM 1142 CA LYS A 155 51.861 17.548 14.987 1.00 5.43 C ATOM 1143 C LYS A 155 52.285 16.948 13.653 1.00 5.11 C ATOM 1144 O LYS A 155 53.408 17.255 13.158 1.00 6.33 O ATOM 1145 CB LYS A 155 52.020 16.599 16.156 1.00 7.81 C ATOM 1146 CG LYS A 155 52.097 17.329 17.484 1.00 12.80 C ATOM 1147 CD LYS A 155 52.121 16.362 18.668 1.00 19.61 C ATOM 1148 CE LYS A 155 51.526 17.001 19.926 1.00 22.65 C ATOM 1149 NZ LYS A 155 51.507 16.051 21.059 1.00 26.45 N ATOM 1150 HZ1 LYS A 155 50.931 15.223 20.806 1.00 0.00 H ATOM 1151 HZ2 LYS A 155 52.479 15.747 21.271 1.00 0.00 H ATOM 1152 HZ3 LYS A 155 51.098 16.517 21.894 1.00 0.00 H ATOM 1153 H LYS A 155 49.755 17.598 15.559 1.00 0.00 H ATOM 1154 N LEU A 156 51.458 16.118 13.070 1.00 5.26 N ATOM 1155 CA LEU A 156 51.767 15.511 11.796 1.00 4.90 C ATOM 1156 C LEU A 156 51.869 16.587 10.680 1.00 5.09 C ATOM 1157 O LEU A 156 52.781 16.582 9.839 1.00 5.29 O ATOM 1158 CB LEU A 156 50.720 14.490 11.504 1.00 7.12 C ATOM 1159 CG LEU A 156 50.871 13.699 10.223 1.00 8.19 C ATOM 1160 CD1 LEU A 156 52.227 12.994 10.131 1.00 10.30 C ATOM 1161 CD2 LEU A 156 49.731 12.683 10.147 1.00 10.72 C ATOM 1162 H LEU A 156 50.556 15.890 13.535 1.00 0.00 H ATOM 1163 N PHE A 157 50.917 17.531 10.660 1.00 4.57 N ATOM 1164 CA PHE A 157 50.943 18.660 9.733 1.00 4.41 C ATOM 1165 C PHE A 157 52.273 19.377 9.843 1.00 4.23 C ATOM 1166 O PHE A 157 52.898 19.650 8.794 1.00 4.97 O ATOM 1167 CB PHE A 157 49.791 19.602 10.101 1.00 4.85 C ATOM 1168 CG PHE A 157 49.809 20.917 9.376 1.00 4.50 C ATOM 1169 CD1 PHE A 157 49.463 20.985 8.040 1.00 4.65 C ATOM 1170 CD2 PHE A 157 50.160 22.095 10.031 1.00 5.84 C ATOM 1171 CE1 PHE A 157 49.472 22.192 7.372 1.00 6.31 C ATOM 1172 CE2 PHE A 157 50.124 23.303 9.374 1.00 7.79 C ATOM 1173 CZ PHE A 157 49.809 23.335 8.047 1.00 7.59 C ATOM 1174 H PHE A 157 50.127 17.456 11.332 1.00 0.00 H ATOM 1175 N LEU A 158 52.733 19.673 11.053 1.00 4.37 N ATOM 1176 CA LEU A 158 54.000 20.409 11.171 1.00 4.92 C ATOM 1177 C LEU A 158 55.178 19.592 10.683 1.00 5.27 C ATOM 1178 O LEU A 158 56.123 20.161 10.082 1.00 5.91 O ATOM 1179 CB LEU A 158 54.227 20.885 12.597 1.00 6.16 C ATOM 1180 CG LEU A 158 53.224 21.972 13.023 1.00 7.80 C ATOM 1181 CD1 LEU A 158 53.325 22.218 14.521 1.00 10.25 C ATOM 1182 CD2 LEU A 158 53.428 23.258 12.254 1.00 9.80 C ATOM 1183 H LEU A 158 52.206 19.389 11.903 1.00 0.00 H ATOM 1184 N GLN A 159 55.156 18.274 10.895 1.00 4.70 N ATOM 1185 CA GLN A 159 56.233 17.429 10.368 1.00 5.83 C ATOM 1186 C GLN A 159 56.234 17.472 8.851 1.00 5.72 C ATOM 1187 O GLN A 159 57.307 17.503 8.238 1.00 7.32 O ATOM 1188 CB GLN A 159 56.207 16.026 10.920 1.00 6.53 C ATOM 1189 CG GLN A 159 56.674 15.934 12.387 1.00 9.96 C ATOM 1190 CD GLN A 159 58.079 16.539 12.715 1.00 10.07 C ATOM 1191 OE1 GLN A 159 59.107 16.320 12.009 1.00 15.53 O ATOM 1192 NE2 GLN A 159 58.126 17.307 13.812 1.00 13.13 N ATOM 1193 HE22 GLN A 159 57.264 17.468 14.371 1.00 0.00 H ATOM 1194 HE21 GLN A 159 59.024 17.742 14.104 1.00 0.00 H ATOM 1195 H GLN A 159 54.376 17.847 11.434 1.00 0.00 H ATOM 1196 N LYS A 160 55.071 17.479 8.209 1.00 5.01 N ATOM 1197 CA LYS A 160 55.045 17.511 6.719 1.00 5.49 C ATOM 1198 C LYS A 160 55.340 18.876 6.156 1.00 5.53 C ATOM 1199 O LYS A 160 56.071 19.018 5.175 1.00 8.35 O ATOM 1200 CB LYS A 160 53.716 16.980 6.202 1.00 6.56 C ATOM 1201 CG LYS A 160 53.461 15.518 6.597 1.00 8.18 C ATOM 1202 CD LYS A 160 54.586 14.566 6.173 1.00 13.45 C ATOM 1203 CE LYS A 160 54.298 13.113 6.483 1.00 19.09 C ATOM 1204 NZ LYS A 160 55.469 12.328 6.008 1.00 23.96 N ATOM 1205 HZ1 LYS A 160 55.588 12.470 4.985 1.00 0.00 H ATOM 1206 HZ2 LYS A 160 56.324 12.648 6.505 1.00 0.00 H ATOM 1207 HZ3 LYS A 160 55.311 11.319 6.203 1.00 0.00 H ATOM 1208 H LYS A 160 54.180 17.462 8.745 1.00 0.00 H ATOM 1209 N ILE A 161 54.857 19.908 6.810 1.00 5.32 N ATOM 1210 CA ILE A 161 55.096 21.281 6.357 1.00 6.70 C ATOM 1211 C ILE A 161 56.584 21.651 6.480 1.00 5.96 C ATOM 1212 O ILE A 161 57.074 22.462 5.700 1.00 5.97 O ATOM 1213 CB ILE A 161 54.221 22.321 7.133 1.00 10.73 C ATOM 1214 CG1 ILE A 161 52.769 22.204 6.659 1.00 13.30 C ATOM 1215 CG2 ILE A 161 54.785 23.764 7.087 1.00 16.96 C ATOM 1216 CD1 ILE A 161 52.573 22.688 5.214 1.00 12.61 C ATOM 1217 H ILE A 161 54.292 19.747 7.668 1.00 0.00 H ATOM 1218 N ASN A 162 57.305 20.997 7.384 1.00 5.92 N ATOM 1219 CA ASN A 162 58.729 21.225 7.551 1.00 6.76 C ATOM 1220 C ASN A 162 59.472 21.047 6.220 1.00 7.38 C ATOM 1221 O ASN A 162 60.453 21.769 5.951 1.00 9.78 O ATOM 1222 CB ASN A 162 59.217 20.285 8.631 1.00 7.77 C ATOM 1223 CG ASN A 162 60.697 20.450 8.941 1.00 8.33 C ATOM 1224 OD1 ASN A 162 61.203 21.582 9.023 1.00 8.50 O ATOM 1225 ND2 ASN A 162 61.368 19.321 9.179 1.00 9.52 N ATOM 1226 HD22 ASN A 162 60.888 18.403 9.093 1.00 0.00 H ATOM 1227 HD21 ASN A 162 62.371 19.360 9.450 1.00 0.00 H ATOM 1228 H ASN A 162 56.833 20.298 7.993 1.00 0.00 H ATOM 1229 N GLU A 163 59.004 20.114 5.404 1.00 7.08 N ATOM 1230 CA GLU A 163 59.671 19.829 4.143 1.00 8.04 C ATOM 1231 C GLU A 163 58.955 20.450 2.920 1.00 7.08 C ATOM 1232 O GLU A 163 59.166 20.054 1.775 1.00 9.45 O ATOM 1233 CB GLU A 163 59.822 18.324 4.020 1.00 11.95 C ATOM 1234 CG GLU A 163 60.917 17.760 4.938 1.00 19.94 C ATOM 1235 CD GLU A 163 60.723 16.307 5.367 1.00 33.72 C ATOM 1236 OE1 GLU A 163 60.180 15.497 4.590 1.00 33.98 O ATOM 1237 OE2 GLU A 163 61.130 15.972 6.502 1.00 43.06 O ATOM 1238 H GLU A 163 58.151 19.580 5.668 1.00 0.00 H ATOM 1239 N LEU A 164 58.104 21.441 3.137 1.00 6.17 N ATOM 1240 CA LEU A 164 57.527 22.196 2.023 1.00 6.57 C ATOM 1241 C LEU A 164 58.617 22.745 1.065 1.00 6.20 C ATOM 1242 O LEU A 164 59.595 23.323 1.549 1.00 7.55 O ATOM 1243 CB LEU A 164 56.764 23.393 2.594 1.00 5.97 C ATOM 1244 CG LEU A 164 55.966 24.241 1.618 1.00 6.70 C ATOM 1245 CD1 LEU A 164 54.741 23.486 1.090 1.00 8.24 C ATOM 1246 CD2 LEU A 164 55.598 25.566 2.268 1.00 8.83 C ATOM 1247 H LEU A 164 57.842 21.687 4.113 1.00 0.00 H ATOM 1248 N PRO A 165 58.431 22.625 -0.250 1.00 6.42 N ATOM 1249 CA PRO A 165 59.361 23.258 -1.205 1.00 7.24 C ATOM 1250 C PRO A 165 59.498 24.740 -0.986 1.00 7.69 C ATOM 1251 O PRO A 165 58.584 25.390 -0.467 1.00 8.46 O ATOM 1252 CB PRO A 165 58.700 22.979 -2.577 1.00 8.76 C ATOM 1253 CG PRO A 165 57.990 21.670 -2.352 1.00 8.11 C ATOM 1254 CD PRO A 165 57.440 21.767 -0.952 1.00 6.59 C ATOM 1255 N THR A 166 60.649 25.303 -1.387 1.00 9.30 N ATOM 1256 CA THR A 166 60.837 26.750 -1.286 1.00 10.77 C ATOM 1257 C THR A 166 59.930 27.520 -2.247 1.00 11.16 C ATOM 1258 O THR A 166 59.414 26.994 -3.249 1.00 12.94 O ATOM 1259 CB THR A 166 62.314 27.152 -1.460 1.00 13.97 C ATOM 1260 OG1 THR A 166 62.730 26.697 -2.725 1.00 21.05 O ATOM 1261 CG2 THR A 166 63.144 26.514 -0.384 1.00 15.17 C ATOM 1262 HG1 THR A 166 62.631 25.713 -2.769 1.00 0.00 H ATOM 1263 H THR A 166 61.410 24.708 -1.771 1.00 0.00 H ATOM 1264 N GLU A 167 59.679 28.773 -1.875 1.00 10.01 N ATOM 1265 CA GLU A 167 58.866 29.670 -2.675 1.00 11.44 C ATOM 1266 C GLU A 167 59.594 30.090 -3.960 1.00 14.20 C ATOM 1267 O GLU A 167 60.781 30.462 -3.853 1.00 16.24 O ATOM 1268 CB GLU A 167 58.541 30.897 -1.824 1.00 12.64 C ATOM 1269 CG GLU A 167 57.543 31.823 -2.471 1.00 12.84 C ATOM 1270 CD GLU A 167 57.151 33.001 -1.611 1.00 15.50 C ATOM 1271 OE1 GLU A 167 56.346 33.822 -2.121 1.00 15.01 O ATOM 1272 OE2 GLU A 167 57.599 33.094 -0.436 1.00 14.07 O ATOM 1273 H GLU A 167 60.079 29.121 -0.980 1.00 0.00 H TER 1274 GLU A 167 HETATM 1275 O HOH 1 22.842 31.345 17.626 1.00 40.50 O HETATM 1276 O HOH 2 37.430 17.203 28.428 1.00 32.34 O HETATM 1277 O HOH 3 43.322 33.112 -3.754 1.00 16.77 O HETATM 1278 O HOH 4 19.930 19.780 16.375 1.00 21.23 O HETATM 1279 O HOH 5 36.095 23.314 15.355 1.00 3.76 O HETATM 1280 O HOH 6 38.234 8.224 24.117 1.00 9.38 O HETATM 1281 O HOH 7 39.069 12.768 26.192 1.00 16.51 O HETATM 1282 O HOH 8 35.752 35.114 9.074 1.00 20.34 O HETATM 1283 O HOH 9 44.080 31.376 -7.385 1.00 10.55 O HETATM 1284 O HOH 10 47.371 25.825 15.890 1.00 23.95 O HETATM 1285 O HOH 11 28.658 30.711 -0.353 1.00 14.04 O HETATM 1286 O HOH 12 60.837 23.528 -5.724 1.00 24.01 O HETATM 1287 O HOH 13 34.173 18.246 22.089 1.00 5.63 O HETATM 1288 O HOH 14 48.332 15.903 22.488 1.00 21.76 O HETATM 1289 O HOH 15 48.688 9.354 7.574 1.00 21.16 O HETATM 1290 O HOH 16 33.399 23.837 1.372 1.00 11.84 O HETATM 1291 O HOH 17 61.057 23.409 3.823 1.00 24.80 O HETATM 1292 O HOH 18 26.185 16.344 8.242 1.00 29.90 O HETATM 1293 O HOH 19 60.292 18.585 -0.208 1.00 24.18 O HETATM 1294 O HOH 20 47.405 24.747 -8.390 1.00 13.24 O HETATM 1295 O HOH 21 53.438 30.383 -2.479 1.00 10.88 O HETATM 1296 O HOH 22 40.504 29.932 14.442 1.00 5.39 O HETATM 1297 O HOH 23 40.187 30.996 3.809 1.00 15.03 O HETATM 1298 O HOH 24 29.948 27.703 -0.616 1.00 15.64 O HETATM 1299 O HOH 25 31.253 28.247 6.261 1.00 5.33 O HETATM 1300 O HOH 26 33.760 31.265 -5.291 1.00 17.09 O HETATM 1301 O HOH 27 46.375 23.656 -6.090 1.00 6.62 O HETATM 1302 O HOH 28 52.016 26.582 13.067 1.00 14.90 O HETATM 1303 O HOH 29 29.244 18.660 7.002 1.00 9.26 O HETATM 1304 O HOH 30 33.785 20.792 24.823 1.00 11.84 O HETATM 1305 O HOH 31 41.768 31.545 -14.292 1.00 28.01 O HETATM 1306 O HOH 32 32.263 26.038 23.677 1.00 24.06 O HETATM 1307 O HOH 33 37.103 27.342 -10.931 1.00 20.80 O HETATM 1308 O HOH 34 25.851 28.870 16.503 1.00 17.48 O HETATM 1309 O HOH 35 33.886 16.995 2.651 1.00 22.40 O HETATM 1310 O HOH 36 36.958 21.473 11.174 1.00 9.85 O HETATM 1311 O HOH 37 50.918 19.600 -14.993 1.00 31.75 O HETATM 1312 O HOH 38 50.806 12.848 15.306 1.00 11.26 O HETATM 1313 O HOH 39 22.311 25.518 6.438 1.00 12.41 O HETATM 1314 O HOH 40 41.782 30.497 7.180 1.00 10.22 O HETATM 1315 O HOH 41 59.769 16.835 9.311 1.00 11.64 O HETATM 1316 O HOH 42 37.438 33.622 13.214 1.00 23.53 O HETATM 1317 O HOH 43 37.815 22.808 13.252 1.00 10.10 O HETATM 1318 O HOH 44 47.213 14.073 20.818 1.00 9.96 O HETATM 1319 O HOH 45 43.792 35.239 -0.127 1.00 22.14 O HETATM 1320 O HOH 46 35.599 24.676 11.743 1.00 5.63 O HETATM 1321 O HOH 47 50.060 10.392 14.192 1.00 23.46 O HETATM 1322 O HOH 48 36.673 8.719 6.492 1.00 19.13 O HETATM 1323 O HOH 49 36.849 30.915 13.664 1.00 8.28 O HETATM 1324 O HOH 50 40.809 23.515 23.775 1.00 4.50 O HETATM 1325 O HOH 51 50.237 24.488 13.092 1.00 14.43 O HETATM 1326 O HOH 52 57.787 15.049 2.892 1.00 22.07 O HETATM 1327 O HOH 53 28.018 36.148 17.593 1.00 31.92 O HETATM 1328 O HOH 54 35.269 19.401 10.778 1.00 5.92 O HETATM 1329 O HOH 55 54.191 15.259 21.178 1.00 37.24 O HETATM 1330 O HOH 56 22.608 29.718 6.999 1.00 8.84 O HETATM 1331 O HOH 57 34.052 24.399 7.316 1.00 5.09 O HETATM 1332 O HOH 58 42.045 14.410 28.197 1.00 20.75 O HETATM 1333 O HOH 59 46.114 28.663 -8.439 1.00 10.35 O HETATM 1334 O HOH 60 38.328 29.559 -15.205 1.00 35.85 O HETATM 1335 O HOH 61 47.679 21.296 -5.484 1.00 11.12 O HETATM 1336 O HOH 62 34.316 11.696 7.044 1.00 16.11 O HETATM 1337 O HOH 63 33.179 33.683 -9.915 1.00 15.15 O HETATM 1338 O HOH 64 22.447 23.044 17.039 1.00 28.18 O HETATM 1339 O HOH 65 27.972 22.938 8.392 1.00 6.14 O HETATM 1340 O HOH 66 57.126 18.269 -3.928 1.00 26.16 O HETATM 1341 O HOH 67 46.942 18.228 25.481 1.00 26.38 O HETATM 1342 O HOH 68 57.237 25.247 6.145 1.00 13.35 O HETATM 1343 O HOH 69 56.885 22.836 10.590 1.00 12.15 O HETATM 1344 O HOH 70 32.108 25.111 -1.652 1.00 18.30 O HETATM 1345 O HOH 71 57.086 25.768 -8.254 1.00 11.96 O HETATM 1346 O HOH 72 39.111 28.352 -8.106 1.00 11.43 O HETATM 1347 O HOH 73 33.667 17.832 27.855 1.00 23.01 O HETATM 1348 O HOH 74 45.253 26.068 -5.320 1.00 7.34 O HETATM 1349 O HOH 75 25.238 24.381 5.190 1.00 17.65 O HETATM 1350 O HOH 76 35.814 13.838 24.685 1.00 13.66 O HETATM 1351 O HOH 77 54.124 29.655 3.267 1.00 33.73 O HETATM 1352 O HOH 78 41.025 8.548 7.492 1.00 18.71 O HETATM 1353 O HOH 79 52.459 35.555 -5.204 1.00 9.50 O HETATM 1354 O HOH 80 32.666 27.324 -4.477 1.00 11.12 O HETATM 1355 O HOH 81 28.845 24.710 6.486 1.00 5.30 O HETATM 1356 O HOH 82 48.710 32.596 7.926 1.00 19.67 O HETATM 1357 O HOH 83 63.119 22.412 6.733 1.00 11.70 O HETATM 1358 O HOH 84 37.395 16.486 -3.052 1.00 18.62 O HETATM 1359 O HOH 85 55.450 18.229 14.906 1.00 14.35 O HETATM 1360 O HOH 86 41.308 32.308 10.807 1.00 16.74 O HETATM 1361 O HOH 87 42.156 31.600 -0.294 1.00 21.18 O HETATM 1362 O HOH 88 52.098 28.596 -4.630 1.00 12.03 O HETATM 1363 O HOH 89 54.409 32.586 -3.828 1.00 17.02 O HETATM 1364 O HOH 90 33.150 33.313 -14.820 1.00 30.02 O HETATM 1365 O HOH 91 53.644 28.139 -12.565 1.00 24.57 O HETATM 1366 O HOH 92 49.076 20.944 -9.608 1.00 26.52 O HETATM 1367 O HOH 93 29.873 17.520 10.809 1.00 13.41 O HETATM 1368 O HOH 94 37.297 31.802 16.370 1.00 13.24 O HETATM 1369 O HOH 95 55.247 25.303 -11.807 1.00 17.83 O HETATM 1370 O HOH 96 35.193 30.394 6.629 1.00 9.62 O HETATM 1371 O HOH 97 51.728 29.680 9.308 1.00 15.93 O HETATM 1372 O HOH 98 54.284 29.218 7.059 1.00 10.66 O HETATM 1373 O HOH 99 63.241 29.187 -4.620 1.00 36.67 O HETATM 1374 O HOH 100 47.998 21.824 -12.639 1.00 42.35 O HETATM 1375 O HOH 101 36.932 17.254 -0.432 1.00 13.29 O HETATM 1376 O HOH 102 31.011 24.832 9.900 1.00 10.65 O HETATM 1377 O HOH 103 59.859 26.064 2.381 1.00 18.51 O HETATM 1378 O HOH 104 40.521 25.168 -11.899 1.00 19.56 O HETATM 1379 O HOH 105 38.328 23.658 -11.243 1.00 25.91 O HETATM 1380 O HOH 106 24.927 19.923 6.756 1.00 14.55 O HETATM 1381 O HOH 107 49.794 14.118 19.772 1.00 18.80 O HETATM 1382 O HOH 108 49.785 19.711 18.391 1.00 22.15 O HETATM 1383 O HOH 109 45.094 29.695 13.061 1.00 8.29 O HETATM 1384 O HOH 110 51.288 27.464 -13.542 1.00 15.73 O HETATM 1385 O HOH 111 34.563 23.623 -10.033 1.00 35.21 O HETATM 1386 O HOH 112 60.764 29.813 0.606 1.00 17.94 O HETATM 1387 O HOH 113 48.778 6.686 11.108 1.00 36.17 O HETATM 1388 O HOH 114 56.196 28.846 -4.923 1.00 16.65 O HETATM 1389 O HOH 115 41.147 29.482 -9.791 1.00 13.22 O HETATM 1390 O HOH 116 33.877 27.392 23.505 1.00 18.94 O HETATM 1391 O HOH 117 21.495 24.226 8.791 1.00 8.00 O HETATM 1392 O HOH 118 34.083 31.382 1.271 1.00 13.10 O HETATM 1393 O HOH 119 44.701 10.246 1.480 1.00 25.71 O HETATM 1394 O HOH 120 33.602 23.589 9.905 1.00 7.87 O HETATM 1395 O HOH 121 42.934 31.067 2.711 1.00 21.10 O HETATM 1396 O HOH 122 37.572 35.385 -15.635 1.00 35.44 O HETATM 1397 O HOH 123 51.090 17.656 -12.470 1.00 27.60 O HETATM 1398 O HOH 124 52.967 31.694 0.341 1.00 8.57 O HETATM 1399 O HOH 125 45.567 14.262 -2.049 1.00 25.99 O HETATM 1400 O HOH 126 35.574 32.770 -4.002 1.00 20.23 O HETATM 1401 O HOH 127 45.117 30.712 10.560 1.00 11.65 O HETATM 1402 O HOH 128 45.723 32.253 -14.722 1.00 16.11 O HETATM 1403 O HOH 129 39.675 8.792 10.144 1.00 8.47 O HETATM 1404 O HOH 130 39.271 8.557 4.977 1.00 24.45 O HETATM 1405 O HOH 131 31.696 36.558 -13.402 1.00 18.21 O HETATM 1406 O HOH 132 43.943 20.076 25.117 1.00 16.13 O HETATM 1407 O HOH 133 40.092 33.527 -1.085 1.00 18.10 O HETATM 1408 O HOH 134 62.320 23.348 -3.040 1.00 23.71 O HETATM 1409 O HOH 135 32.087 16.245 11.619 1.00 11.86 O HETATM 1410 O HOH 136 30.480 30.155 21.558 1.00 19.56 O HETATM 1411 O HOH 137 55.776 30.185 0.987 1.00 29.21 O HETATM 1412 O HOH 138 56.905 26.213 -5.510 1.00 10.67 O HETATM 1413 O HOH 139 40.937 33.129 6.857 1.00 19.83 O HETATM 1414 O HOH 140 56.339 12.757 3.015 1.00 30.25 O HETATM 1415 O HOH 141 31.100 28.343 23.433 1.00 20.96 O HETATM 1416 O HOH 142 53.730 10.381 7.897 1.00 35.68 O HETATM 1417 O HOH 143 49.806 23.188 -8.106 1.00 12.72 O HETATM 1418 O HOH 144 45.308 20.792 -8.706 1.00 40.77 O HETATM 1419 O HOH 145 31.898 22.454 -0.490 1.00 23.58 O HETATM 1420 O HOH 146 34.897 12.073 3.883 1.00 26.30 O HETATM 1421 O HOH 147 34.919 7.145 11.397 1.00 75.43 O HETATM 1422 O HOH 148 47.887 30.773 9.994 1.00 13.82 O HETATM 1423 O HOH 149 39.717 27.818 -11.490 1.00 20.12 O HETATM 1424 O HOH 150 32.802 31.749 -7.973 1.00 23.94 O HETATM 1425 O HOH 151 47.810 6.918 8.245 1.00 24.85 O HETATM 1426 O HOH 152 60.205 28.106 -7.923 1.00 32.77 O HETATM 1427 O HOH 153 45.525 35.163 3.459 1.00 30.34 O HETATM 1428 O HOH 154 53.515 25.020 -14.105 1.00 27.73 O HETATM 1429 O HOH 155 56.490 27.262 -10.464 1.00 27.27 O HETATM 1430 O HOH 156 54.337 16.591 -4.742 1.00 32.83 O HETATM 1431 O HOH 157 57.967 24.534 8.803 1.00 10.30 O HETATM 1432 O HOH 158 49.295 30.915 12.451 1.00 16.36 O HETATM 1433 O HOH 159 30.945 13.634 11.549 1.00 20.25 O HETATM 1434 O HOH 160 34.562 39.146 -14.563 1.00 26.97 O HETATM 1435 O HOH 161 43.146 33.983 2.607 1.00 29.59 O HETATM 1436 O HOH 162 33.493 14.419 26.146 1.00 27.67 O HETATM 1437 O HOH 163 57.036 20.894 15.277 1.00 30.21 O HETATM 1438 O HOH 164 44.373 33.385 10.441 1.00 21.29 O HETATM 1439 O HOH 165 31.661 33.046 -12.185 1.00 27.27 O HETATM 1440 O HOH 166 51.515 9.467 11.956 1.00 36.83 O HETATM 1441 O HOH 167 43.760 17.910 -8.711 1.00 40.03 O HETATM 1442 O HOH 168 28.151 22.525 4.802 1.00 11.36 O HETATM 1443 O HOH 169 27.499 20.749 6.810 1.00 9.71 O HETATM 1444 O HOH 170 43.318 36.698 -13.911 1.00 19.70 O HETATM 1445 O HOH 171 51.150 9.400 9.032 1.00 27.68 O HETATM 1446 O HOH 172 31.364 25.633 7.230 1.00 6.05 O HETATM 1447 O HOH 173 40.652 36.542 -4.907 1.00 17.16 O HETATM 1448 O HOH 174 66.566 27.047 -0.979 1.00 21.34 O HETATM 1449 O HOH 175 55.036 14.497 17.645 1.00 37.21 O HETATM 1450 O HOH 176 56.033 28.938 3.803 1.00 38.29 O HETATM 1451 O HOH 177 37.303 31.269 4.911 1.00 27.80 O HETATM 1452 O HOH 178 33.359 6.219 13.662 1.00 29.83 O HETATM 1453 O HOH 179 28.301 15.779 9.533 1.00 36.32 O HETATM 1454 O HOH 180 24.272 31.832 6.332 1.00 10.43 O HETATM 1455 O HOH 181 26.261 29.612 -0.960 1.00 16.81 O HETATM 1456 O HOH 182 47.893 19.558 -7.521 1.00 20.11 O HETATM 1457 O HOH 183 48.439 28.168 15.726 1.00 24.62 O HETATM 1458 O HOH 184 18.001 19.313 13.345 1.00 30.46 O HETATM 1459 O HOH 185 66.026 24.402 -0.864 1.00 32.05 O HETATM 1460 O HOH 186 35.076 15.446 0.373 1.00 25.89 O HETATM 1461 O HOH 187 24.693 31.134 15.357 1.00 21.55 O HETATM 1462 O HOH 188 55.711 27.487 5.427 1.00 20.83 O HETATM 1463 O HOH 189 59.498 26.309 4.925 1.00 16.19 O HETATM 1464 O HOH 190 38.521 18.535 32.133 1.00 17.98 O HETATM 1465 O HOH 191 62.021 20.629 -2.204 1.00 30.46 O HETATM 1466 O HOH 192 29.409 18.203 4.255 1.00 25.19 O HETATM 1467 O HOH 193 50.776 12.264 18.081 1.00 17.81 O HETATM 1468 O HOH 194 31.534 35.674 -16.162 1.00 32.44 O HETATM 1469 O HOH 195 62.730 26.480 2.801 1.00 27.21 O HETATM 1470 O HOH 196 39.348 32.937 5.470 1.00 20.46 O HETATM 1471 O HOH 197 27.431 13.700 11.971 1.00 36.98 O HETATM 1472 O HOH 198 45.256 7.817 0.574 1.00 34.03 O HETATM 1473 O HOH 199 29.581 32.262 22.996 1.00 32.59 O HETATM 1474 O HOH 200 47.351 30.523 14.466 1.00 18.17 O HETATM 1475 O HOH 201 54.568 19.802 17.161 1.00 29.43 O HETATM 1476 O HOH 202 57.307 23.953 13.007 1.00 22.99 O HETATM 1477 O HOH 203 57.969 29.402 4.148 1.00 30.00 O HETATM 1478 O HOH 204 29.263 21.042 2.722 1.00 27.84 O HETATM 1479 O HOH 205 59.057 26.298 -11.617 1.00 23.24 O HETATM 1480 O HOH 206 50.970 9.929 -9.494 1.00 31.27 O HETATM 1481 O HOH 207 47.806 32.713 16.289 1.00 18.41 O HETATM 1482 O HOH 208 57.473 12.409 -1.566 1.00 28.03 O HETATM 1483 O HOH 209 43.224 37.538 19.609 1.00 5.32 O HETATM 1484 O HOH 210 45.889 38.478 16.493 1.00 17.18 O HETATM 1485 O HOH 211 32.510 22.664 23.599 1.00 22.41 O HETATM 1486 O HOH 212 26.147 21.883 22.926 1.00 29.40 O HETATM 1487 O HOH 213 30.754 11.649 20.174 1.00 10.99 O HETATM 1488 O HOH 214 33.574 17.148 13.753 1.00 4.98 O HETATM 1489 O HOH 215 35.204 4.287 13.610 1.00 12.36 O HETATM 1490 O HOH 216 29.255 14.628 18.220 1.00 19.42 O HETATM 1491 O HOH 217 35.935 6.304 21.938 1.00 6.03 O HETATM 1492 O HOH 218 44.611 5.212 9.010 1.00 23.38 O HETATM 1493 O HOH 219 31.989 7.868 19.875 1.00 9.22 O HETATM 1494 O HOH 220 33.480 0.474 19.093 1.00 11.28 O HETATM 1495 O HOH 221 46.211 1.282 13.271 1.00 32.75 O HETATM 1496 O HOH 222 37.824 4.920 8.597 1.00 17.86 O HETATM 1497 O HOH 223 32.774 8.608 17.348 1.00 8.15 O HETATM 1498 O HOH 224 31.236 11.086 17.435 1.00 12.11 O HETATM 1499 O HOH 225 30.026 2.268 22.007 1.00 28.09 O HETATM 1500 O HOH 226 31.214 12.713 26.875 1.00 30.70 O HETATM 1501 O HOH 227 33.225 6.066 21.602 1.00 9.79 O HETATM 1502 O HOH 228 35.304 4.241 10.856 1.00 21.81 O HETATM 1503 O HOH 229 28.439 10.668 21.042 1.00 29.86 O HETATM 1504 O HOH 230 35.181 0.839 16.902 1.00 8.06 O HETATM 1505 O HOH 231 31.189 4.889 22.781 1.00 21.29 O HETATM 1506 O HOH 232 33.918 2.079 14.755 1.00 12.14 O HETATM 1507 O HOH 233 31.610 7.040 15.537 1.00 23.21 O HETATM 1508 O HOH 234 35.710 3.507 7.117 1.00 18.45 O HETATM 1509 N SER A 235 27.331 21.142 24.689 1.00 0.24 N HETATM 1510 CA SER A 235 28.532 22.036 24.610 1.00 0.09 C HETATM 1511 C SER A 235 29.785 21.358 24.101 1.00 0.23 C HETATM 1512 O SER A 235 30.766 22.037 23.882 1.00 -0.39 O HETATM 1513 N SER A 235 29.789 20.039 23.945 1.00 -0.26 N HETATM 1514 CA SER A 235 30.866 19.359 23.248 1.00 0.12 C HETATM 1515 C SER A 235 30.384 18.246 22.354 1.00 0.20 C HETATM 1516 O SER A 235 29.219 17.914 22.262 1.00 -0.39 O HETATM 1517 N SER A 235 31.359 17.679 21.660 1.00 -0.26 N HETATM 1518 CA SER A 235 31.107 16.656 20.648 1.00 0.13 C HETATM 1519 CB SER A 235 32.154 16.736 19.522 1.00 -0.01 C HETATM 1520 CG SER A 235 32.084 18.082 18.786 1.00 -0.05 C HETATM 1521 CD SER A 235 33.148 18.106 17.689 1.00 -0.03 C HETATM 1522 CE SER A 235 33.041 19.342 16.810 1.00 0.03 C HETATM 1523 NZ SER A 235 34.034 19.262 15.726 1.00 -0.29 N HETATM 1524 CH SER A 235 35.110 20.042 15.666 1.00 0.17 C HETATM 1525 OH SER A 235 35.346 20.937 16.487 1.00 -0.40 O HETATM 1526 CH3 SER A 235 35.982 19.791 14.491 1.00 0.03 C HETATM 1527 H11 SER A 235 35.577 18.952 13.906 1.00 0.05 H HETATM 1528 H12 SER A 235 36.997 19.543 14.834 1.00 0.05 H HETATM 1529 H13 SER A 235 36.018 20.693 13.862 1.00 0.05 H HETATM 1530 H14 SER A 235 33.893 18.589 15.000 1.00 0.18 H HETATM 1531 H15 SER A 235 32.031 19.398 16.378 1.00 0.05 H HETATM 1532 H16 SER A 235 33.231 20.240 17.416 1.00 0.05 H HETATM 1533 H17 SER A 235 34.142 18.091 18.160 1.00 0.03 H HETATM 1534 H18 SER A 235 33.027 17.212 17.059 1.00 0.03 H HETATM 1535 H19 SER A 235 31.088 18.205 18.336 1.00 0.03 H HETATM 1536 H20 SER A 235 32.269 18.901 19.497 1.00 0.03 H HETATM 1537 H21 SER A 235 33.157 16.618 19.957 1.00 0.03 H HETATM 1538 H22 SER A 235 31.968 15.925 18.803 1.00 0.03 H HETATM 1539 C SER A 235 31.142 15.234 21.187 1.00 0.20 C HETATM 1540 O SER A 235 30.784 14.312 20.477 1.00 -0.39 O HETATM 1541 N SER A 235 31.597 15.059 22.430 1.00 -0.27 N HETATM 1542 CA SER A 235 31.621 13.734 23.046 1.00 0.12 C HETATM 1543 C SER A 235 32.861 12.958 22.691 1.00 0.20 C HETATM 1544 O SER A 235 33.754 13.398 21.991 1.00 -0.39 O HETATM 1545 N SER A 235 32.924 11.738 23.197 1.00 -0.26 N HETATM 1546 CA SER A 235 34.033 10.847 22.944 1.00 0.13 C HETATM 1547 C SER A 235 33.983 10.399 21.498 1.00 0.20 C HETATM 1548 O SER A 235 32.909 10.326 20.864 1.00 -0.39 O HETATM 1549 N SER A 235 35.155 10.124 20.949 1.00 -0.26 N HETATM 1550 CA SER A 235 35.296 9.795 19.536 1.00 0.13 C HETATM 1551 CB SER A 235 36.199 10.859 18.881 1.00 -0.01 C HETATM 1552 CG SER A 235 35.644 12.276 18.873 1.00 -0.05 C HETATM 1553 CD SER A 235 34.508 12.400 17.861 1.00 -0.03 C HETATM 1554 CE SER A 235 33.763 13.728 17.980 1.00 0.03 C HETATM 1555 NZ SER A 235 32.712 13.725 17.009 1.00 -0.29 N HETATM 1556 CH SER A 235 32.689 14.449 15.906 1.00 0.17 C HETATM 1557 OH SER A 235 33.550 15.274 15.660 1.00 -0.40 O HETATM 1558 CH3 SER A 235 31.529 14.221 15.016 1.00 0.03 C HETATM 1559 H41 SER A 235 30.890 13.433 15.441 1.00 0.05 H HETATM 1560 H42 SER A 235 31.884 13.909 14.023 1.00 0.05 H HETATM 1561 H43 SER A 235 30.950 15.152 14.922 1.00 0.05 H HETATM 1562 H44 SER A 235 31.931 13.125 17.180 1.00 0.18 H HETATM 1563 H45 SER A 235 33.340 13.831 18.990 1.00 0.05 H HETATM 1564 H46 SER A 235 34.452 14.563 17.784 1.00 0.05 H HETATM 1565 H47 SER A 235 34.928 12.320 16.847 1.00 0.03 H HETATM 1566 H48 SER A 235 33.795 11.579 18.028 1.00 0.03 H HETATM 1567 H49 SER A 235 35.264 12.521 19.876 1.00 0.03 H HETATM 1568 H50 SER A 235 36.447 12.978 18.603 1.00 0.03 H HETATM 1569 H51 SER A 235 37.155 10.873 19.425 1.00 0.03 H HETATM 1570 H52 SER A 235 36.375 10.558 17.838 1.00 0.03 H HETATM 1571 C SER A 235 35.938 8.457 19.343 1.00 0.20 C HETATM 1572 O SER A 235 36.871 8.109 20.047 1.00 -0.39 O HETATM 1573 N SER A 235 35.466 7.729 18.335 1.00 -0.26 N HETATM 1574 CA SER A 235 36.131 6.522 17.864 1.00 0.13 C HETATM 1575 C SER A 235 37.116 6.874 16.771 1.00 0.20 C HETATM 1576 O SER A 235 36.877 7.792 16.003 1.00 -0.39 O HETATM 1577 N SER A 235 38.224 6.163 16.696 1.00 -0.26 N HETATM 1578 CA SER A 235 39.115 6.333 15.566 1.00 0.13 C HETATM 1579 C SER A 235 38.566 5.662 14.314 1.00 0.20 C HETATM 1580 O SER A 235 37.735 4.753 14.393 1.00 -0.39 O HETATM 1581 N SER A 235 39.073 6.098 13.168 1.00 -0.27 N HETATM 1582 CA SER A 235 38.814 5.415 11.900 1.00 0.12 C HETATM 1583 C SER A 235 39.762 4.240 11.701 1.00 0.20 C HETATM 1584 O SER A 235 40.635 3.927 12.512 1.00 -0.39 O HETATM 1585 N SER A 235 39.611 3.602 10.550 1.00 -0.27 N HETATM 1586 CA SER A 235 40.531 2.568 10.153 1.00 0.10 C HETATM 1587 C SER A 235 41.914 3.131 9.839 1.00 0.06 C HETATM 1588 O SER A 235 42.003 4.259 9.368 1.00 -0.57 O HETATM 1589 OXT SER A 235 42.914 2.465 10.183 1.00 -0.57 O HETATM 1590 CB SER A 235 39.934 1.802 8.967 1.00 0.01 C HETATM 1591 CG SER A 235 38.709 0.983 9.351 1.00 -0.05 C HETATM 1592 CD1 SER A 235 38.823 -0.300 9.889 1.00 -0.07 C HETATM 1593 CE1 SER A 235 37.699 -1.015 10.266 1.00 -0.04 C HETATM 1594 CZ SER A 235 36.450 -0.419 10.151 1.00 0.08 C HETATM 1595 CE2 SER A 235 36.320 0.835 9.615 1.00 -0.04 C HETATM 1596 CD2 SER A 235 37.445 1.519 9.227 1.00 -0.07 C HETATM 1597 H89 SER A 235 37.336 2.513 8.809 1.00 0.05 H HETATM 1598 H91 SER A 235 35.339 1.282 9.499 1.00 0.05 H HETATM 1599 OH SER A 235 35.321 -1.101 10.512 1.00 -0.34 O HETATM 1600 H92 SER A 235 35.564 -1.949 10.865 1.00 0.25 H HETATM 1601 H90 SER A 235 37.793 -2.026 10.646 1.00 0.05 H HETATM 1602 H88 SER A 235 39.805 -0.742 10.013 1.00 0.05 H HETATM 1603 H86 SER A 235 40.700 1.122 8.566 1.00 0.04 H HETATM 1604 H87 SER A 235 39.644 2.526 8.191 1.00 0.04 H HETATM 1605 H85 SER A 235 40.642 1.866 10.992 1.00 0.07 H HETATM 1606 H84 SER A 235 38.848 3.841 9.949 1.00 0.19 H HETATM 1607 H82 SER A 235 38.950 6.129 11.074 1.00 0.08 H HETATM 1608 H83 SER A 235 37.778 5.044 11.898 1.00 0.08 H HETATM 1609 H81 SER A 235 39.648 6.916 13.171 1.00 0.19 H HETATM 1610 CB SER A 235 40.507 5.814 15.868 1.00 -0.01 C HETATM 1611 CG SER A 235 40.574 4.339 16.212 1.00 -0.02 C HETATM 1612 CD SER A 235 41.993 3.791 16.164 1.00 0.06 C HETATM 1613 NE SER A 235 42.336 3.519 14.760 1.00 -0.27 N HETATM 1614 CZ SER A 235 43.427 2.907 14.390 1.00 0.29 C HETATM 1615 NH1 SER A 235 43.619 2.688 13.100 1.00 -0.28 N HETATM 1616 H77 SER A 235 44.472 2.207 12.781 1.00 0.26 H HETATM 1617 H78 SER A 235 42.916 2.999 12.415 1.00 0.26 H HETATM 1618 NH2 SER A 235 44.322 2.540 15.276 1.00 -0.28 N HETATM 1619 H79 SER A 235 44.158 2.717 16.277 1.00 0.26 H HETATM 1620 H80 SER A 235 45.188 2.074 14.970 1.00 0.26 H HETATM 1621 H76 SER A 235 41.679 3.829 14.029 1.00 0.26 H HETATM 1622 H74 SER A 235 42.053 2.861 16.748 1.00 0.07 H HETATM 1623 H75 SER A 235 42.692 4.531 16.581 1.00 0.07 H HETATM 1624 H72 SER A 235 39.956 3.781 15.493 1.00 0.03 H HETATM 1625 H73 SER A 235 40.175 4.195 17.227 1.00 0.03 H HETATM 1626 H70 SER A 235 40.907 6.383 16.720 1.00 0.03 H HETATM 1627 H71 SER A 235 41.137 5.988 14.983 1.00 0.03 H HETATM 1628 H69 SER A 235 39.194 7.412 15.364 1.00 0.08 H HETATM 1629 H68 SER A 235 38.449 5.508 17.417 1.00 0.19 H HETATM 1630 CB SER A 235 35.120 5.521 17.351 1.00 -0.01 C HETATM 1631 CG SER A 235 34.078 5.145 18.382 1.00 -0.04 C HETATM 1632 CD SER A 235 33.194 3.995 18.010 1.00 -0.01 C HETATM 1633 CE SER A 235 32.178 3.701 19.109 1.00 -0.04 C HETATM 1634 NZ SER A 235 31.403 2.452 18.868 1.00 0.22 N HETATM 1635 H65 SER A 235 30.751 2.310 19.623 1.00 0.20 H HETATM 1636 H66 SER A 235 32.035 1.669 18.819 1.00 0.20 H HETATM 1637 H67 SER A 235 30.899 2.532 17.999 1.00 0.20 H HETATM 1638 H63 SER A 235 31.474 4.544 19.170 1.00 0.08 H HETATM 1639 H64 SER A 235 32.714 3.602 20.064 1.00 0.08 H HETATM 1640 H61 SER A 235 33.816 3.102 17.848 1.00 0.03 H HETATM 1641 H62 SER A 235 32.657 4.241 17.082 1.00 0.03 H HETATM 1642 H59 SER A 235 33.438 6.023 18.554 1.00 0.03 H HETATM 1643 H60 SER A 235 34.601 4.884 19.314 1.00 0.03 H HETATM 1644 H57 SER A 235 35.654 4.609 17.046 1.00 0.03 H HETATM 1645 H58 SER A 235 34.609 5.956 16.480 1.00 0.03 H HETATM 1646 H56 SER A 235 36.679 6.070 18.704 1.00 0.08 H HETATM 1647 H55 SER A 235 34.623 8.021 17.884 1.00 0.19 H HETATM 1648 H53 SER A 235 34.304 9.796 19.060 1.00 0.08 H HETATM 1649 H54 SER A 235 35.973 10.143 21.524 1.00 0.19 H HETATM 1650 CB SER A 235 33.992 9.660 23.895 1.00 -0.01 C HETATM 1651 CG SER A 235 34.231 10.032 25.372 1.00 -0.04 C HETATM 1652 CD SER A 235 35.673 10.349 25.728 1.00 -0.01 C HETATM 1653 CE SER A 235 35.869 10.507 27.245 1.00 -0.04 C HETATM 1654 NZ SER A 235 37.328 10.667 27.529 1.00 0.22 N HETATM 1655 H38 SER A 235 37.468 10.771 28.522 1.00 0.20 H HETATM 1656 H39 SER A 235 37.675 11.485 27.053 1.00 0.20 H HETATM 1657 H40 SER A 235 37.825 9.853 27.204 1.00 0.20 H HETATM 1658 H36 SER A 235 35.488 9.614 27.762 1.00 0.08 H HETATM 1659 H37 SER A 235 35.324 11.395 27.598 1.00 0.08 H HETATM 1660 H34 SER A 235 35.963 11.287 25.233 1.00 0.03 H HETATM 1661 H35 SER A 235 36.316 9.531 25.370 1.00 0.03 H HETATM 1662 H32 SER A 235 33.904 9.186 25.994 1.00 0.03 H HETATM 1663 H33 SER A 235 33.620 10.916 25.605 1.00 0.03 H HETATM 1664 H30 SER A 235 34.769 8.944 23.588 1.00 0.03 H HETATM 1665 H31 SER A 235 33.003 9.185 23.814 1.00 0.03 H HETATM 1666 H29 SER A 235 34.973 11.393 23.111 1.00 0.08 H HETATM 1667 H28 SER A 235 32.175 11.419 23.778 1.00 0.19 H HETATM 1668 H26 SER A 235 30.741 13.169 22.704 1.00 0.08 H HETATM 1669 H27 SER A 235 31.579 13.852 24.139 1.00 0.08 H HETATM 1670 H25 SER A 235 31.927 15.848 22.948 1.00 0.19 H HETATM 1671 H23 SER A 235 30.109 16.843 20.225 1.00 0.08 H HETATM 1672 H24 SER A 235 32.302 17.961 21.835 1.00 0.19 H HETATM 1673 H9 SER A 235 31.553 18.935 23.995 1.00 0.08 H HETATM 1674 H10 SER A 235 31.403 20.095 22.632 1.00 0.08 H HETATM 1675 H8 SER A 235 29.032 19.501 24.317 1.00 0.19 H HETATM 1676 CB SER A 235 28.826 22.640 25.974 1.00 0.10 C HETATM 1677 OG SER A 235 29.014 21.627 26.945 1.00 -0.39 O HETATM 1678 H7 SER A 235 29.196 22.027 27.787 1.00 0.21 H HETATM 1679 H5 SER A 235 27.981 23.276 26.276 1.00 0.06 H HETATM 1680 H6 SER A 235 29.739 23.250 25.909 1.00 0.06 H HETATM 1681 H4 SER A 235 28.288 22.851 23.913 1.00 0.11 H HETATM 1682 H1 SER A 235 26.543 21.667 25.035 1.00 0.20 H HETATM 1683 H2 SER A 235 27.524 20.375 25.314 1.00 0.20 H HETATM 1684 H3 SER A 235 27.118 20.783 23.771 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1509 1510 1682 1683 1684 CONECT 1510 1509 1511 1676 1681 CONECT 1511 1510 1512 1513 CONECT 1512 1511 CONECT 1513 1511 1514 1675 CONECT 1514 1513 1515 1673 1674 CONECT 1515 1514 1516 1517 CONECT 1516 1515 CONECT 1517 1515 1518 1672 CONECT 1518 1517 1519 1539 1671 CONECT 1519 1518 1520 1537 1538 CONECT 1520 1519 1521 1535 1536 CONECT 1521 1520 1522 1533 1534 CONECT 1522 1521 1523 1531 1532 CONECT 1523 1522 1524 1530 CONECT 1524 1523 1525 1526 CONECT 1525 1524 CONECT 1526 1524 1527 1528 1529 CONECT 1527 1526 CONECT 1528 1526 CONECT 1529 1526 CONECT 1530 1523 CONECT 1531 1522 CONECT 1532 1522 CONECT 1533 1521 CONECT 1534 1521 CONECT 1535 1520 CONECT 1536 1520 CONECT 1537 1519 CONECT 1538 1519 CONECT 1539 1518 1540 1541 CONECT 1540 1539 CONECT 1541 1539 1542 1670 CONECT 1542 1541 1543 1668 1669 CONECT 1543 1542 1544 1545 CONECT 1544 1543 CONECT 1545 1543 1546 1667 CONECT 1546 1545 1547 1650 1666 CONECT 1547 1546 1548 1549 CONECT 1548 1547 CONECT 1549 1547 1550 1649 CONECT 1550 1549 1551 1571 1648 CONECT 1551 1550 1552 1569 1570 CONECT 1552 1551 1553 1567 1568 CONECT 1553 1552 1554 1565 1566 CONECT 1554 1553 1555 1563 1564 CONECT 1555 1554 1556 1562 CONECT 1556 1555 1557 1558 CONECT 1557 1556 CONECT 1558 1556 1559 1560 1561 CONECT 1559 1558 CONECT 1560 1558 CONECT 1561 1558 CONECT 1562 1555 CONECT 1563 1554 CONECT 1564 1554 CONECT 1565 1553 CONECT 1566 1553 CONECT 1567 1552 CONECT 1568 1552 CONECT 1569 1551 CONECT 1570 1551 CONECT 1571 1550 1572 1573 CONECT 1572 1571 CONECT 1573 1571 1574 1647 CONECT 1574 1573 1575 1630 1646 CONECT 1575 1574 1576 1577 CONECT 1576 1575 CONECT 1577 1575 1578 1629 CONECT 1578 1577 1579 1610 1628 CONECT 1579 1578 1580 1581 CONECT 1580 1579 CONECT 1581 1579 1582 1609 CONECT 1582 1581 1583 1607 1608 CONECT 1583 1582 1584 1585 CONECT 1584 1583 CONECT 1585 1583 1586 1606 CONECT 1586 1585 1587 1590 1605 CONECT 1587 1586 1588 1589 CONECT 1588 1587 CONECT 1589 1587 CONECT 1590 1586 1591 1603 1604 CONECT 1591 1590 1592 1596 CONECT 1592 1591 1593 1602 CONECT 1593 1592 1594 1601 CONECT 1594 1593 1595 1599 CONECT 1595 1594 1596 1598 CONECT 1596 1591 1595 1597 CONECT 1597 1596 CONECT 1598 1595 CONECT 1599 1594 1600 CONECT 1600 1599 CONECT 1601 1593 CONECT 1602 1592 CONECT 1603 1590 CONECT 1604 1590 CONECT 1605 1586 CONECT 1606 1585 CONECT 1607 1582 CONECT 1608 1582 CONECT 1609 1581 CONECT 1610 1578 1611 1626 1627 CONECT 1611 1610 1612 1624 1625 CONECT 1612 1611 1613 1622 1623 CONECT 1613 1612 1614 1621 CONECT 1614 1613 1615 1618 CONECT 1615 1614 1616 1617 CONECT 1616 1615 CONECT 1617 1615 CONECT 1618 1614 1619 1620 CONECT 1619 1618 CONECT 1620 1618 CONECT 1621 1613 CONECT 1622 1612 CONECT 1623 1612 CONECT 1624 1611 CONECT 1625 1611 CONECT 1626 1610 CONECT 1627 1610 CONECT 1628 1578 CONECT 1629 1577 CONECT 1630 1574 1631 1644 1645 CONECT 1631 1630 1632 1642 1643 CONECT 1632 1631 1633 1640 1641 CONECT 1633 1632 1634 1638 1639 CONECT 1634 1633 1635 1636 1637 CONECT 1635 1634 CONECT 1636 1634 CONECT 1637 1634 CONECT 1638 1633 CONECT 1639 1633 CONECT 1640 1632 CONECT 1641 1632 CONECT 1642 1631 CONECT 1643 1631 CONECT 1644 1630 CONECT 1645 1630 CONECT 1646 1574 CONECT 1647 1573 CONECT 1648 1550 CONECT 1649 1549 CONECT 1650 1546 1651 1664 1665 CONECT 1651 1650 1652 1662 1663 CONECT 1652 1651 1653 1660 1661 CONECT 1653 1652 1654 1658 1659 CONECT 1654 1653 1655 1656 1657 CONECT 1655 1654 CONECT 1656 1654 CONECT 1657 1654 CONECT 1658 1653 CONECT 1659 1653 CONECT 1660 1652 CONECT 1661 1652 CONECT 1662 1651 CONECT 1663 1651 CONECT 1664 1650 CONECT 1665 1650 CONECT 1666 1546 CONECT 1667 1545 CONECT 1668 1542 CONECT 1669 1542 CONECT 1670 1541 CONECT 1671 1518 CONECT 1672 1517 CONECT 1673 1514 CONECT 1674 1514 CONECT 1675 1513 CONECT 1676 1510 1677 1679 1680 CONECT 1677 1676 1678 CONECT 1678 1677 CONECT 1679 1676 CONECT 1680 1676 CONECT 1681 1510 CONECT 1682 1509 CONECT 1683 1509 CONECT 1684 1509 MASTER 0 0 0 0 0 0 0 0 1683 1 180 10 END
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Related entries of code: 6g0q
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Complexes with the same small molecule ligand
PDB Code
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Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
RCSB PDB
PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
1cyn
RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
6g0q
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 4
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=24.6uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Mol. Cell Vol. : pp. -
Ligand Properties
Formula
C
5
2
H
9
3
N
1
7
O
1
5
Molecular Weight
1196.400
Exact Mass
1195.700
No. of atoms
177
No. of bonds
177
Polar Surface Area
546.79
LOGP Value
-4.94 (
Computed with XLOGP3
)
-4.85 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 56
No. of Nitrogen and Oxygen Atoms: 32
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCC[NH+]=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)[NH3+])CCCCNC(=O)C)CCCC[NH3+])CCCCNC(=O)C
InChI String
InChI=1S/C52H89N17O15/c1-31(71)58-23-9-5-14-36(64-42(74)27-61-45(77)35(55)30-70)46(78)62-28-43(75)65-38(12-3-7-21-53)48(80)68-40(15-6-10-24-59-32(2)72)50(82)69-39(13-4-8-22-54)49(81)67-37(16-11-25-60-52(56)57)47(79)63-29-44(76)66-41(51(83)84)26-33-17-19-34(73)20-18-33/h17-20,35-41,70,73H,3-16,21-30,53-55H2,1-2H3,(H,58,71)(H,59,72)(H,61,77)(H,62,78)(H,63,79)(H,64,74)(H,65,75)(H,66,76)(H,67,81)(H,68,80)(H,69,82)(H,83,84)(H4,56,57,60)/p+4/t35-,36-,37-,38-,39-,40-,41-/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):
P15976
O60885
Entrez Gene ID
NCBI Entrez Gene ID:
2623
23476
ASD
Information of known allosteric effects of PDB entries
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