Browse entries in the PDBbind-CN Database
HEADER 5HZ6_COMPLEX COMPND 5HZ6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 131 ALA GLY ALA PHE VAL GLY THR TRP LYS LEU VAL SER SER SEQRES 2 A 131 GLU ASN PHE ASP ASP TYR MET LYS GLU VAL GLY VAL GLY SEQRES 3 A 131 PHE ALA THR ARG LYS VAL ALA GLY MET ALA LYS PRO ASN SEQRES 4 A 131 MET ILE ILE SER VAL ASN GLY ASP VAL ILE THR ILE LYS SEQRES 5 A 131 SER GLU SER THR PHE LYS ASN THR GLU ILE SER PHE ILE SEQRES 6 A 131 LEU GLY GLN GLU PHE ASP GLU VAL THR ALA ASP ASP ARG SEQRES 7 A 131 LYS VAL LYS SER THR ILE THR LEU ASP GLY GLY VAL LEU SEQRES 8 A 131 VAL HIS VAL GLN LYS TRP ASP GLY LYS SER THR THR ILE SEQRES 9 A 131 LYS ARG LYS ARG GLU ASP ASP LYS LEU VAL VAL GLU CYS SEQRES 10 A 131 VAL MET LYS GLY VAL THR SER THR ARG VAL TYR GLU ARG SEQRES 11 A 131 ALA HET UNN A 358 47 ATOM 1 N ALA A 2 5.104 1.009 -3.857 1.00 53.88 N ATOM 2 CA ALA A 2 4.803 -0.105 -2.898 1.00 39.70 C ATOM 3 C ALA A 2 6.072 -0.650 -2.217 1.00 31.12 C ATOM 4 O ALA A 2 7.135 -0.850 -2.856 1.00 26.37 O ATOM 5 CB ALA A 2 4.019 -1.226 -3.588 1.00 51.11 C ATOM 6 HN3 ALA A 2 5.745 0.662 -4.599 1.00 0.00 H ATOM 7 HN2 ALA A 2 5.557 1.793 -3.345 1.00 0.00 H ATOM 8 HN1 ALA A 2 4.218 1.342 -4.289 1.00 0.00 H ATOM 9 N GLY A 3 5.942 -0.925 -0.921 1.00 31.78 N ATOM 10 CA GLY A 3 7.048 -1.346 -0.024 1.00 43.51 C ATOM 11 C GLY A 3 7.759 -2.537 -0.536 1.00 34.65 C ATOM 12 O GLY A 3 8.979 -2.586 -0.548 1.00 31.49 O ATOM 13 H GLY A 3 4.993 -0.838 -0.505 1.00 0.00 H ATOM 14 N ALA A 4 6.957 -3.441 -1.062 1.00 27.20 N ATOM 15 CA ALA A 4 7.406 -4.688 -1.479 1.00 27.51 C ATOM 16 C ALA A 4 8.415 -4.443 -2.585 1.00 20.09 C ATOM 17 O ALA A 4 9.307 -5.235 -2.691 1.00 26.96 O ATOM 18 CB ALA A 4 6.195 -5.551 -1.913 1.00 36.66 C ATOM 19 H ALA A 4 5.948 -3.212 -1.169 1.00 0.00 H ATOM 20 N PHE A 5 8.244 -3.415 -3.452 1.00 19.25 N ATOM 21 CA PHE A 5 9.113 -3.257 -4.610 1.00 14.77 C ATOM 22 C PHE A 5 10.427 -2.505 -4.410 1.00 14.29 C ATOM 23 O PHE A 5 11.358 -2.706 -5.164 1.00 12.90 O ATOM 24 CB PHE A 5 8.372 -2.578 -5.780 1.00 15.16 C ATOM 25 CG PHE A 5 7.251 -3.410 -6.293 1.00 15.12 C ATOM 26 CD1 PHE A 5 7.500 -4.364 -7.251 1.00 17.24 C ATOM 27 CD2 PHE A 5 5.959 -3.249 -5.867 1.00 18.31 C ATOM 28 CE1 PHE A 5 6.511 -5.177 -7.757 1.00 17.24 C ATOM 29 CE2 PHE A 5 4.946 -4.083 -6.334 1.00 18.41 C ATOM 30 CZ PHE A 5 5.227 -5.038 -7.265 1.00 16.54 C ATOM 31 H PHE A 5 7.480 -2.728 -3.288 1.00 0.00 H ATOM 32 N VAL A 6 10.461 -1.669 -3.386 1.00 14.55 N ATOM 33 CA VAL A 6 11.619 -0.828 -3.224 1.00 14.38 C ATOM 34 C VAL A 6 12.884 -1.641 -2.993 1.00 13.65 C ATOM 35 O VAL A 6 12.928 -2.559 -2.157 1.00 16.22 O ATOM 36 CB VAL A 6 11.397 0.165 -2.061 1.00 15.42 C ATOM 37 CG1 VAL A 6 12.697 0.873 -1.666 1.00 15.44 C ATOM 38 CG2 VAL A 6 10.335 1.172 -2.474 1.00 19.52 C ATOM 39 H VAL A 6 9.670 -1.620 -2.713 1.00 0.00 H ATOM 40 N GLY A 7 13.943 -1.306 -3.730 1.00 13.18 N ATOM 41 CA GLY A 7 15.212 -1.994 -3.584 1.00 14.46 C ATOM 42 C GLY A 7 16.019 -1.958 -4.839 1.00 11.85 C ATOM 43 O GLY A 7 15.682 -1.341 -5.821 1.00 11.75 O ATOM 44 H GLY A 7 13.858 -0.536 -4.424 1.00 0.00 H ATOM 45 N THR A 8 17.178 -2.590 -4.739 1.00 12.06 N ATOM 46 CA THR A 8 18.089 -2.836 -5.847 1.00 12.51 C ATOM 47 C THR A 8 18.064 -4.299 -6.130 1.00 11.98 C ATOM 48 O THR A 8 18.305 -5.125 -5.255 1.00 14.09 O ATOM 49 CB THR A 8 19.514 -2.377 -5.493 1.00 15.12 C ATOM 50 OG1 THR A 8 19.450 -0.965 -5.215 1.00 16.59 O ATOM 51 CG2 THR A 8 20.468 -2.659 -6.653 1.00 16.75 C ATOM 52 HG1 THR A 8 20.354 -0.634 -4.982 1.00 0.00 H ATOM 53 H THR A 8 17.458 -2.936 -3.799 1.00 0.00 H ATOM 54 N TRP A 9 17.739 -4.604 -7.394 1.00 11.36 N ATOM 55 CA TRP A 9 17.436 -5.946 -7.879 1.00 11.54 C ATOM 56 C TRP A 9 18.355 -6.320 -9.040 1.00 12.78 C ATOM 57 O TRP A 9 18.501 -5.574 -9.981 1.00 16.72 O ATOM 58 CB TRP A 9 15.988 -5.966 -8.369 1.00 11.11 C ATOM 59 CG TRP A 9 15.001 -5.612 -7.292 1.00 11.33 C ATOM 60 CD1 TRP A 9 14.419 -4.399 -7.062 1.00 12.04 C ATOM 61 CD2 TRP A 9 14.446 -6.514 -6.314 1.00 12.18 C ATOM 62 NE1 TRP A 9 13.554 -4.485 -5.987 1.00 13.36 N ATOM 63 CE2 TRP A 9 13.541 -5.755 -5.518 1.00 12.31 C ATOM 64 CE3 TRP A 9 14.618 -7.857 -6.045 1.00 12.37 C ATOM 65 CZ2 TRP A 9 12.820 -6.337 -4.476 1.00 14.07 C ATOM 66 CZ3 TRP A 9 13.903 -8.432 -5.013 1.00 14.24 C ATOM 67 CH2 TRP A 9 13.028 -7.674 -4.237 1.00 14.96 C ATOM 68 HE1 TRP A 9 12.999 -3.696 -5.599 1.00 0.00 H ATOM 69 H TRP A 9 17.700 -3.825 -8.081 1.00 0.00 H ATOM 70 N LYS A 10 18.922 -7.509 -9.025 1.00 10.31 N ATOM 71 CA LYS A 10 19.850 -7.987 -10.058 1.00 9.65 C ATOM 72 C LYS A 10 19.217 -9.155 -10.795 1.00 9.31 C ATOM 73 O LYS A 10 18.689 -10.080 -10.189 1.00 10.19 O ATOM 74 CB LYS A 10 21.125 -8.491 -9.384 1.00 11.75 C ATOM 75 CG LYS A 10 22.129 -9.134 -10.299 1.00 14.36 C ATOM 76 CD LYS A 10 22.785 -8.217 -11.310 1.00 17.67 C ATOM 77 CE LYS A 10 23.893 -8.950 -12.101 1.00 21.03 C ATOM 78 NZ LYS A 10 24.565 -8.052 -13.070 1.00 24.26 N ATOM 79 HZ1 LYS A 10 23.865 -7.690 -13.748 1.00 0.00 H ATOM 80 HZ2 LYS A 10 24.999 -7.257 -12.560 1.00 0.00 H ATOM 81 HZ3 LYS A 10 25.301 -8.582 -13.579 1.00 0.00 H ATOM 82 H LYS A 10 18.699 -8.147 -8.235 1.00 0.00 H ATOM 83 N LEU A 11 19.236 -9.094 -12.134 1.00 9.25 N ATOM 84 CA LEU A 11 18.667 -10.174 -12.944 1.00 9.68 C ATOM 85 C LEU A 11 19.479 -11.456 -12.706 1.00 10.21 C ATOM 86 O LEU A 11 20.709 -11.453 -12.848 1.00 11.25 O ATOM 87 CB LEU A 11 18.717 -9.828 -14.415 1.00 10.62 C ATOM 88 CG LEU A 11 18.117 -10.859 -15.379 1.00 11.24 C ATOM 89 CD1 LEU A 11 16.627 -10.783 -15.301 1.00 12.56 C ATOM 90 CD2 LEU A 11 18.581 -10.637 -16.817 1.00 14.17 C ATOM 91 H LEU A 11 19.660 -8.269 -12.604 1.00 0.00 H ATOM 92 N VAL A 12 18.753 -12.545 -12.419 1.00 10.21 N ATOM 93 CA VAL A 12 19.379 -13.843 -12.223 1.00 10.27 C ATOM 94 C VAL A 12 18.918 -14.879 -13.231 1.00 10.22 C ATOM 95 O VAL A 12 19.625 -15.873 -13.421 1.00 11.97 O ATOM 96 CB VAL A 12 19.302 -14.375 -10.784 1.00 11.82 C ATOM 97 CG1 VAL A 12 20.033 -13.440 -9.801 1.00 14.23 C ATOM 98 CG2 VAL A 12 17.880 -14.661 -10.357 1.00 13.13 C ATOM 99 H VAL A 12 17.720 -12.460 -12.335 1.00 0.00 H ATOM 100 N SER A 13 17.761 -14.725 -13.840 1.00 10.67 N ATOM 101 CA SER A 13 17.316 -15.665 -14.865 1.00 11.29 C ATOM 102 C SER A 13 16.418 -14.942 -15.839 1.00 10.49 C ATOM 103 O SER A 13 15.750 -13.971 -15.514 1.00 10.41 O ATOM 104 CB SER A 13 16.570 -16.858 -14.261 1.00 12.91 C ATOM 105 OG SER A 13 15.378 -16.526 -13.638 1.00 14.42 O ATOM 106 HG SER A 13 14.769 -16.105 -14.296 1.00 0.00 H ATOM 107 H SER A 13 17.153 -13.920 -13.587 1.00 0.00 H ATOM 108 N SER A 14 16.398 -15.443 -17.073 1.00 11.17 N ATOM 109 CA SER A 14 15.566 -14.879 -18.148 1.00 11.43 C ATOM 110 C SER A 14 15.161 -15.978 -19.121 1.00 10.97 C ATOM 111 O SER A 14 16.014 -16.761 -19.523 1.00 13.52 O ATOM 112 CB SER A 14 16.380 -13.811 -18.917 1.00 12.74 C ATOM 113 OG SER A 14 15.577 -13.137 -19.896 1.00 13.17 O ATOM 114 HG SER A 14 16.129 -12.463 -20.367 1.00 0.00 H ATOM 115 H SER A 14 16.995 -16.267 -17.286 1.00 0.00 H ATOM 116 N GLU A 15 13.888 -16.049 -19.464 1.00 10.42 N ATOM 117 CA GLU A 15 13.372 -17.016 -20.423 1.00 10.28 C ATOM 118 C GLU A 15 12.622 -16.296 -21.508 1.00 9.14 C ATOM 119 O GLU A 15 11.778 -15.434 -21.225 1.00 9.91 O ATOM 120 CB GLU A 15 12.467 -18.018 -19.724 1.00 14.18 C ATOM 121 CG GLU A 15 13.202 -18.871 -18.731 1.00 19.87 C ATOM 122 CD GLU A 15 12.493 -19.135 -17.459 1.00 22.79 C ATOM 123 OE1 GLU A 15 11.297 -19.518 -17.586 1.00 24.34 O ATOM 124 OE2 GLU A 15 13.189 -19.039 -16.410 1.00 24.08 O ATOM 125 H GLU A 15 13.221 -15.381 -19.028 1.00 0.00 H ATOM 126 N ASN A 16 12.887 -16.698 -22.744 1.00 9.51 N ATOM 127 CA ASN A 16 12.183 -16.250 -23.942 1.00 9.71 C ATOM 128 C ASN A 16 12.395 -14.789 -24.257 1.00 8.97 C ATOM 129 O ASN A 16 11.602 -14.207 -25.035 1.00 9.49 O ATOM 130 CB ASN A 16 10.693 -16.582 -23.913 1.00 10.21 C ATOM 131 CG ASN A 16 10.405 -18.000 -23.665 1.00 12.21 C ATOM 132 OD1 ASN A 16 11.161 -18.891 -24.025 1.00 14.07 O ATOM 133 ND2 ASN A 16 9.248 -18.239 -23.102 1.00 17.04 N ATOM 134 HD22 ASN A 16 8.638 -17.448 -22.812 1.00 0.00 H ATOM 135 HD21 ASN A 16 8.939 -19.219 -22.945 1.00 0.00 H ATOM 136 H ASN A 16 13.657 -17.386 -22.870 1.00 0.00 H ATOM 137 N PHE A 17 13.396 -14.106 -23.711 1.00 9.26 N ATOM 138 CA PHE A 17 13.526 -12.662 -23.940 1.00 9.02 C ATOM 139 C PHE A 17 13.896 -12.332 -25.347 1.00 9.48 C ATOM 140 O PHE A 17 13.482 -11.327 -25.884 1.00 9.59 O ATOM 141 CB PHE A 17 14.427 -12.008 -22.893 1.00 10.02 C ATOM 142 CG PHE A 17 14.294 -10.508 -22.863 1.00 9.75 C ATOM 143 CD1 PHE A 17 13.139 -9.948 -22.504 1.00 10.62 C ATOM 144 CD2 PHE A 17 15.374 -9.713 -23.181 1.00 12.08 C ATOM 145 CE1 PHE A 17 12.989 -8.572 -22.426 1.00 14.32 C ATOM 146 CE2 PHE A 17 15.255 -8.336 -23.120 1.00 15.09 C ATOM 147 CZ PHE A 17 14.065 -7.795 -22.786 1.00 14.47 C ATOM 148 H PHE A 17 14.093 -14.599 -23.117 1.00 0.00 H ATOM 149 N ASP A 18 14.735 -13.164 -25.992 1.00 9.85 N ATOM 150 CA ASP A 18 15.051 -12.882 -27.405 1.00 10.06 C ATOM 151 C ASP A 18 13.766 -12.922 -28.280 1.00 10.37 C ATOM 152 O ASP A 18 13.534 -12.048 -29.113 1.00 11.17 O ATOM 153 CB ASP A 18 16.079 -13.871 -27.943 1.00 12.51 C ATOM 154 CG ASP A 18 16.514 -13.504 -29.349 1.00 13.93 C ATOM 155 OD1 ASP A 18 17.022 -12.404 -29.543 1.00 15.51 O ATOM 156 OD2 ASP A 18 16.385 -14.389 -30.232 1.00 17.72 O ATOM 157 H ASP A 18 15.150 -13.985 -25.506 1.00 0.00 H ATOM 158 N ASP A 19 12.939 -13.921 -28.059 1.00 10.47 N ATOM 159 CA ASP A 19 11.690 -14.059 -28.795 1.00 11.50 C ATOM 160 C ASP A 19 10.804 -12.837 -28.510 1.00 10.81 C ATOM 161 O ASP A 19 10.107 -12.319 -29.399 1.00 11.93 O ATOM 162 CB ASP A 19 10.976 -15.330 -28.427 1.00 12.96 C ATOM 163 CG ASP A 19 11.594 -16.588 -29.011 1.00 18.34 C ATOM 164 OD1 ASP A 19 12.404 -16.526 -29.961 1.00 22.25 O ATOM 165 OD2 ASP A 19 11.259 -17.656 -28.445 1.00 23.44 O ATOM 166 H ASP A 19 13.184 -14.631 -27.340 1.00 0.00 H ATOM 167 N TYR A 20 10.745 -12.387 -27.234 1.00 9.95 N ATOM 168 CA TYR A 20 9.960 -11.222 -26.879 1.00 9.38 C ATOM 169 C TYR A 20 10.437 -10.009 -27.650 1.00 9.20 C ATOM 170 O TYR A 20 9.631 -9.272 -28.246 1.00 10.50 O ATOM 171 CB TYR A 20 10.025 -10.998 -25.354 1.00 9.90 C ATOM 172 CG TYR A 20 9.425 -9.706 -24.916 1.00 9.31 C ATOM 173 CD1 TYR A 20 8.056 -9.548 -24.798 1.00 9.49 C ATOM 174 CD2 TYR A 20 10.208 -8.597 -24.697 1.00 9.91 C ATOM 175 CE1 TYR A 20 7.474 -8.355 -24.443 1.00 8.84 C ATOM 176 CE2 TYR A 20 9.633 -7.391 -24.319 1.00 9.83 C ATOM 177 CZ TYR A 20 8.263 -7.278 -24.197 1.00 9.33 C ATOM 178 OH TYR A 20 7.704 -6.061 -23.870 1.00 10.49 O ATOM 179 HH TYR A 20 6.719 -6.153 -23.823 1.00 0.00 H ATOM 180 H TYR A 20 11.275 -12.889 -26.493 1.00 0.00 H ATOM 181 N MET A 21 11.748 -9.755 -27.612 1.00 10.02 N ATOM 182 CA MET A 21 12.299 -8.601 -28.308 1.00 10.10 C ATOM 183 C MET A 21 12.004 -8.682 -29.806 1.00 10.48 C ATOM 184 O MET A 21 11.655 -7.666 -30.440 1.00 11.43 O ATOM 185 CB MET A 21 13.794 -8.464 -28.057 1.00 10.22 C ATOM 186 CG MET A 21 14.175 -7.996 -26.685 1.00 10.30 C ATOM 187 SD MET A 21 15.946 -7.711 -26.536 1.00 12.06 S ATOM 188 CE MET A 21 16.567 -9.411 -26.661 1.00 13.74 C ATOM 189 H MET A 21 12.380 -10.387 -27.081 1.00 0.00 H ATOM 190 N LYS A 22 12.175 -9.857 -30.379 1.00 10.63 N ATOM 191 CA LYS A 22 11.886 -10.019 -31.812 1.00 11.81 C ATOM 192 C LYS A 22 10.450 -9.638 -32.094 1.00 11.53 C ATOM 193 O LYS A 22 10.169 -8.932 -33.055 1.00 13.54 O ATOM 194 CB LYS A 22 12.266 -11.423 -32.271 1.00 13.80 C ATOM 195 CG LYS A 22 12.270 -11.561 -33.767 1.00 17.96 C ATOM 196 CD LYS A 22 12.769 -12.920 -34.219 1.00 24.10 C ATOM 197 CE LYS A 22 13.167 -12.957 -35.707 1.00 35.32 C ATOM 198 NZ LYS A 22 13.594 -14.293 -36.242 1.00 51.69 N ATOM 199 HZ1 LYS A 22 14.424 -14.628 -35.712 1.00 0.00 H ATOM 200 HZ2 LYS A 22 12.815 -14.973 -36.134 1.00 0.00 H ATOM 201 HZ3 LYS A 22 13.838 -14.200 -37.249 1.00 0.00 H ATOM 202 H LYS A 22 12.513 -10.666 -29.820 1.00 0.00 H ATOM 203 N GLU A 23 9.511 -10.125 -31.271 1.00 11.92 N ATOM 204 CA GLU A 23 8.100 -9.845 -31.467 1.00 13.02 C ATOM 205 C GLU A 23 7.773 -8.370 -31.347 1.00 12.06 C ATOM 206 O GLU A 23 6.916 -7.829 -32.036 1.00 14.68 O ATOM 207 CB GLU A 23 7.262 -10.641 -30.470 1.00 14.80 C ATOM 208 CG GLU A 23 5.876 -11.001 -30.931 1.00 18.74 C ATOM 209 CD GLU A 23 5.827 -11.995 -32.101 1.00 21.35 C ATOM 210 OE1 GLU A 23 6.799 -12.631 -32.471 1.00 22.63 O ATOM 211 OE2 GLU A 23 4.777 -12.153 -32.634 1.00 29.37 O ATOM 212 H GLU A 23 9.801 -10.720 -30.469 1.00 0.00 H ATOM 213 N VAL A 24 8.459 -7.684 -30.450 1.00 12.38 N ATOM 214 CA VAL A 24 8.305 -6.270 -30.267 1.00 12.94 C ATOM 215 C VAL A 24 8.797 -5.477 -31.467 1.00 15.14 C ATOM 216 O VAL A 24 8.293 -4.389 -31.661 1.00 23.36 O ATOM 217 CB VAL A 24 8.979 -5.841 -28.967 1.00 14.20 C ATOM 218 CG1 VAL A 24 9.175 -4.353 -28.896 1.00 17.02 C ATOM 219 CG2 VAL A 24 8.194 -6.369 -27.758 1.00 15.06 C ATOM 220 H VAL A 24 9.140 -8.192 -29.850 1.00 0.00 H ATOM 221 N GLY A 25 9.766 -6.028 -32.196 1.00 12.61 N ATOM 222 CA GLY A 25 10.328 -5.404 -33.371 1.00 15.09 C ATOM 223 C GLY A 25 11.758 -4.945 -33.227 1.00 14.39 C ATOM 224 O GLY A 25 12.269 -4.263 -34.115 1.00 16.09 O ATOM 225 H GLY A 25 10.137 -6.955 -31.904 1.00 0.00 H ATOM 226 N VAL A 26 12.460 -5.413 -32.215 1.00 13.17 N ATOM 227 CA VAL A 26 13.814 -5.009 -31.989 1.00 13.20 C ATOM 228 C VAL A 26 14.735 -5.659 -33.017 1.00 13.98 C ATOM 229 O VAL A 26 14.614 -6.859 -33.295 1.00 15.20 O ATOM 230 CB VAL A 26 14.255 -5.452 -30.583 1.00 12.28 C ATOM 231 CG1 VAL A 26 15.689 -4.989 -30.301 1.00 14.68 C ATOM 232 CG2 VAL A 26 13.356 -4.883 -29.506 1.00 13.63 C ATOM 233 H VAL A 26 12.019 -6.093 -31.564 1.00 0.00 H ATOM 234 N GLY A 27 15.638 -4.864 -33.593 1.00 15.35 N ATOM 235 CA GLY A 27 16.576 -5.407 -34.618 1.00 17.67 C ATOM 236 C GLY A 27 17.612 -6.300 -33.983 1.00 15.42 C ATOM 237 O GLY A 27 17.852 -6.275 -32.751 1.00 15.36 O ATOM 238 H GLY A 27 15.688 -3.860 -33.326 1.00 0.00 H ATOM 239 N PHE A 28 18.210 -7.147 -34.806 1.00 17.08 N ATOM 240 CA PHE A 28 19.130 -8.140 -34.355 1.00 15.23 C ATOM 241 C PHE A 28 20.311 -7.627 -33.520 1.00 15.79 C ATOM 242 O PHE A 28 20.638 -8.215 -32.482 1.00 17.23 O ATOM 243 CB PHE A 28 19.677 -8.968 -35.530 1.00 20.38 C ATOM 244 CG PHE A 28 20.586 -10.093 -35.099 1.00 21.18 C ATOM 245 CD1 PHE A 28 20.053 -11.348 -34.734 1.00 25.02 C ATOM 246 CD2 PHE A 28 21.949 -9.897 -34.985 1.00 26.29 C ATOM 247 CE1 PHE A 28 20.896 -12.385 -34.305 1.00 25.93 C ATOM 248 CE2 PHE A 28 22.791 -10.906 -34.548 1.00 27.25 C ATOM 249 CZ PHE A 28 22.267 -12.144 -34.182 1.00 29.60 C ATOM 250 H PHE A 28 18.001 -7.086 -35.823 1.00 0.00 H ATOM 251 N ALA A 29 20.937 -6.539 -33.946 1.00 16.65 N ATOM 252 CA ALA A 29 22.120 -6.064 -33.266 1.00 17.43 C ATOM 253 C ALA A 29 21.777 -5.660 -31.831 1.00 16.44 C ATOM 254 O ALA A 29 22.546 -5.981 -30.894 1.00 17.58 O ATOM 255 CB ALA A 29 22.818 -4.921 -33.981 1.00 21.39 C ATOM 256 H ALA A 29 20.575 -6.025 -34.774 1.00 0.00 H ATOM 257 N THR A 30 20.639 -4.987 -31.650 1.00 15.52 N ATOM 258 CA THR A 30 20.226 -4.612 -30.328 1.00 13.69 C ATOM 259 C THR A 30 19.826 -5.867 -29.524 1.00 14.26 C ATOM 260 O THR A 30 20.112 -5.945 -28.319 1.00 14.42 O ATOM 261 CB THR A 30 19.099 -3.572 -30.391 1.00 14.59 C ATOM 262 OG1 THR A 30 19.603 -2.403 -31.068 1.00 17.70 O ATOM 263 CG2 THR A 30 18.608 -3.178 -28.989 1.00 15.45 C ATOM 264 HG1 THR A 30 20.375 -2.039 -30.566 1.00 0.00 H ATOM 265 H THR A 30 20.050 -4.734 -32.469 1.00 0.00 H ATOM 266 N ARG A 31 19.092 -6.794 -30.148 1.00 13.32 N ATOM 267 CA ARG A 31 18.757 -8.031 -29.455 1.00 13.16 C ATOM 268 C ARG A 31 19.992 -8.730 -28.897 1.00 12.76 C ATOM 269 O ARG A 31 20.005 -9.335 -27.812 1.00 13.57 O ATOM 270 CB ARG A 31 17.990 -9.010 -30.300 1.00 13.12 C ATOM 271 CG ARG A 31 16.595 -8.544 -30.629 1.00 13.04 C ATOM 272 CD ARG A 31 15.637 -9.665 -31.018 1.00 15.18 C ATOM 273 NE ARG A 31 16.187 -10.705 -31.909 1.00 17.38 N ATOM 274 CZ ARG A 31 16.214 -10.594 -33.241 1.00 17.88 C ATOM 275 NH1 ARG A 31 15.659 -9.546 -33.853 1.00 21.29 N ATOM 276 NH2 ARG A 31 16.605 -11.571 -33.985 1.00 21.84 N ATOM 277 HE ARG A 31 16.574 -11.569 -31.478 1.00 0.00 H ATOM 278 HH12 ARG A 31 15.688 -9.474 -34.890 1.00 0.00 H ATOM 279 HH11 ARG A 31 15.197 -8.801 -33.293 1.00 0.00 H ATOM 280 HH22 ARG A 31 16.618 -11.464 -35.019 1.00 0.00 H ATOM 281 HH21 ARG A 31 16.907 -12.467 -33.551 1.00 0.00 H ATOM 282 H ARG A 31 18.762 -6.633 -31.121 1.00 0.00 H ATOM 283 N LYS A 32 21.061 -8.743 -29.688 1.00 14.51 N ATOM 284 CA LYS A 32 22.223 -9.455 -29.273 1.00 15.37 C ATOM 285 C LYS A 32 22.794 -8.922 -27.971 1.00 15.17 C ATOM 286 O LYS A 32 23.102 -9.693 -27.053 1.00 19.18 O ATOM 287 CB LYS A 32 23.289 -9.429 -30.378 1.00 20.97 C ATOM 288 CG LYS A 32 24.556 -10.196 -29.961 1.00 22.74 C ATOM 289 CD LYS A 32 25.500 -10.631 -31.074 1.00 31.29 C ATOM 290 CE LYS A 32 26.690 -11.523 -30.561 1.00 52.71 C ATOM 291 NZ LYS A 32 27.275 -12.522 -31.526 1.00 44.84 N ATOM 292 HZ1 LYS A 32 26.536 -13.191 -31.821 1.00 0.00 H ATOM 293 HZ2 LYS A 32 27.644 -12.022 -32.360 1.00 0.00 H ATOM 294 HZ3 LYS A 32 28.047 -13.040 -31.061 1.00 0.00 H ATOM 295 H LYS A 32 21.049 -8.240 -30.598 1.00 0.00 H ATOM 296 N VAL A 33 22.954 -7.620 -27.904 1.00 14.85 N ATOM 297 CA VAL A 33 23.530 -7.020 -26.710 1.00 15.44 C ATOM 298 C VAL A 33 22.534 -6.991 -25.532 1.00 14.07 C ATOM 299 O VAL A 33 22.861 -7.273 -24.384 1.00 15.71 O ATOM 300 CB VAL A 33 24.112 -5.642 -27.058 1.00 15.72 C ATOM 301 CG1 VAL A 33 24.761 -5.012 -25.852 1.00 23.56 C ATOM 302 CG2 VAL A 33 25.169 -5.784 -28.169 1.00 21.97 C ATOM 303 H VAL A 33 22.669 -7.019 -28.703 1.00 0.00 H ATOM 304 N ALA A 34 21.281 -6.667 -25.789 1.00 12.57 N ATOM 305 CA ALA A 34 20.258 -6.571 -24.724 1.00 12.92 C ATOM 306 C ALA A 34 20.009 -7.961 -24.154 1.00 11.80 C ATOM 307 O ALA A 34 19.782 -8.113 -22.941 1.00 12.87 O ATOM 308 CB ALA A 34 18.962 -5.928 -25.213 1.00 13.25 C ATOM 309 H ALA A 34 21.003 -6.473 -26.772 1.00 0.00 H ATOM 310 N GLY A 35 19.992 -8.956 -25.003 1.00 13.50 N ATOM 311 CA GLY A 35 19.637 -10.265 -24.550 1.00 13.81 C ATOM 312 C GLY A 35 20.616 -10.881 -23.576 1.00 14.26 C ATOM 313 O GLY A 35 20.227 -11.703 -22.735 1.00 16.87 O ATOM 314 H GLY A 35 20.235 -8.796 -26.001 1.00 0.00 H ATOM 315 N MET A 36 21.904 -10.478 -23.721 1.00 14.64 N ATOM 316 CA MET A 36 22.932 -10.953 -22.818 1.00 15.76 C ATOM 317 C MET A 36 23.136 -10.103 -21.582 1.00 16.51 C ATOM 318 O MET A 36 23.825 -10.534 -20.676 1.00 17.60 O ATOM 319 CB MET A 36 24.255 -11.217 -23.562 1.00 20.15 C ATOM 320 CG MET A 36 24.998 -9.989 -24.112 1.00 29.04 C ATOM 321 SD MET A 36 26.756 -10.283 -24.540 1.00 30.74 S ATOM 322 CE MET A 36 26.648 -11.755 -25.560 1.00 32.59 C ATOM 323 H MET A 36 22.155 -9.822 -24.488 1.00 0.00 H ATOM 324 N ALA A 37 22.436 -8.976 -21.497 1.00 12.86 N ATOM 325 CA ALA A 37 22.577 -8.091 -20.345 1.00 12.29 C ATOM 326 C ALA A 37 21.964 -8.769 -19.117 1.00 12.94 C ATOM 327 O ALA A 37 20.944 -9.456 -19.178 1.00 13.85 O ATOM 328 CB ALA A 37 21.937 -6.724 -20.629 1.00 13.11 C ATOM 329 H ALA A 37 21.779 -8.721 -22.262 1.00 0.00 H ATOM 330 N LYS A 38 22.526 -8.459 -17.946 1.00 13.10 N ATOM 331 CA LYS A 38 21.984 -8.850 -16.642 1.00 13.51 C ATOM 332 C LYS A 38 21.831 -7.572 -15.850 1.00 13.44 C ATOM 333 O LYS A 38 22.692 -7.204 -15.059 1.00 13.91 O ATOM 334 CB LYS A 38 22.880 -9.877 -15.936 1.00 16.56 C ATOM 335 CG LYS A 38 23.033 -11.125 -16.808 1.00 22.14 C ATOM 336 CD LYS A 38 23.239 -12.420 -16.019 1.00 29.76 C ATOM 337 CE LYS A 38 23.388 -13.637 -16.946 1.00 32.91 C ATOM 338 NZ LYS A 38 23.745 -14.906 -16.224 1.00 39.07 N ATOM 339 HZ1 LYS A 38 24.651 -14.779 -15.730 1.00 0.00 H ATOM 340 HZ2 LYS A 38 23.001 -15.131 -15.533 1.00 0.00 H ATOM 341 HZ3 LYS A 38 23.829 -15.682 -16.911 1.00 0.00 H ATOM 342 H LYS A 38 23.405 -7.904 -17.960 1.00 0.00 H ATOM 343 N PRO A 39 20.745 -6.840 -16.088 1.00 12.65 N ATOM 344 CA PRO A 39 20.658 -5.520 -15.451 1.00 12.17 C ATOM 345 C PRO A 39 20.455 -5.510 -13.970 1.00 10.91 C ATOM 346 O PRO A 39 19.988 -6.461 -13.352 1.00 12.41 O ATOM 347 CB PRO A 39 19.461 -4.884 -16.117 1.00 13.42 C ATOM 348 CG PRO A 39 19.267 -5.669 -17.374 1.00 16.16 C ATOM 349 CD PRO A 39 19.636 -7.062 -17.011 1.00 12.90 C ATOM 350 N ASN A 40 20.764 -4.367 -13.393 1.00 10.66 N ATOM 351 CA ASN A 40 20.306 -4.001 -12.061 1.00 11.70 C ATOM 352 C ASN A 40 19.120 -3.078 -12.213 1.00 12.93 C ATOM 353 O ASN A 40 19.129 -2.187 -13.063 1.00 18.73 O ATOM 354 CB ASN A 40 21.388 -3.305 -11.278 1.00 15.88 C ATOM 355 CG ASN A 40 22.460 -4.248 -10.846 1.00 20.40 C ATOM 356 OD1 ASN A 40 23.591 -4.132 -11.305 1.00 26.26 O ATOM 357 ND2 ASN A 40 22.112 -5.178 -10.004 1.00 23.29 N ATOM 358 HD22 ASN A 40 21.134 -5.221 -9.652 1.00 0.00 H ATOM 359 HD21 ASN A 40 22.812 -5.878 -9.684 1.00 0.00 H ATOM 360 H ASN A 40 21.363 -3.695 -13.913 1.00 0.00 H ATOM 361 N MET A 41 18.070 -3.288 -11.432 1.00 11.56 N ATOM 362 CA MET A 41 16.873 -2.499 -11.438 1.00 11.64 C ATOM 363 C MET A 41 16.767 -1.863 -10.048 1.00 11.94 C ATOM 364 O MET A 41 16.715 -2.573 -9.058 1.00 13.72 O ATOM 365 CB MET A 41 15.678 -3.404 -11.731 1.00 13.64 C ATOM 366 CG MET A 41 14.381 -2.629 -11.874 1.00 13.53 C ATOM 367 SD MET A 41 12.852 -3.552 -11.989 1.00 15.52 S ATOM 368 CE MET A 41 13.345 -4.976 -12.961 1.00 13.76 C ATOM 369 H MET A 41 18.118 -4.085 -10.765 1.00 0.00 H ATOM 370 N ILE A 42 16.679 -0.545 -9.996 1.00 10.69 N ATOM 371 CA ILE A 42 16.619 0.195 -8.736 1.00 10.73 C ATOM 372 C ILE A 42 15.270 0.864 -8.681 1.00 10.72 C ATOM 373 O ILE A 42 14.987 1.738 -9.490 1.00 11.58 O ATOM 374 CB ILE A 42 17.756 1.208 -8.590 1.00 12.08 C ATOM 375 CG1 ILE A 42 19.106 0.556 -8.875 1.00 15.39 C ATOM 376 CG2 ILE A 42 17.712 1.856 -7.196 1.00 14.39 C ATOM 377 CD1 ILE A 42 20.241 1.551 -8.915 1.00 19.93 C ATOM 378 H ILE A 42 16.651 -0.012 -10.889 1.00 0.00 H ATOM 379 N ILE A 43 14.406 0.456 -7.737 1.00 11.29 N ATOM 380 CA ILE A 43 13.041 0.970 -7.600 1.00 11.30 C ATOM 381 C ILE A 43 13.001 1.776 -6.324 1.00 11.16 C ATOM 382 O ILE A 43 13.405 1.316 -5.260 1.00 12.31 O ATOM 383 CB ILE A 43 12.018 -0.179 -7.544 1.00 11.14 C ATOM 384 CG1 ILE A 43 12.124 -1.068 -8.802 1.00 12.12 C ATOM 385 CG2 ILE A 43 10.614 0.367 -7.373 1.00 12.66 C ATOM 386 CD1 ILE A 43 11.159 -2.267 -8.796 1.00 15.82 C ATOM 387 H ILE A 43 14.725 -0.269 -7.063 1.00 0.00 H ATOM 388 N SER A 44 12.500 2.999 -6.431 1.00 11.94 N ATOM 389 CA SER A 44 12.348 3.882 -5.323 1.00 12.51 C ATOM 390 C SER A 44 11.030 4.608 -5.417 1.00 12.91 C ATOM 391 O SER A 44 10.441 4.694 -6.465 1.00 12.90 O ATOM 392 CB SER A 44 13.523 4.848 -5.228 1.00 14.55 C ATOM 393 OG SER A 44 13.600 5.639 -6.388 1.00 14.64 O ATOM 394 HG SER A 44 13.725 5.054 -7.177 1.00 0.00 H ATOM 395 H SER A 44 12.203 3.330 -7.371 1.00 0.00 H ATOM 396 N VAL A 45 10.572 5.189 -4.305 1.00 13.58 N ATOM 397 CA VAL A 45 9.304 5.903 -4.280 1.00 15.50 C ATOM 398 C VAL A 45 9.450 7.149 -3.414 1.00 17.89 C ATOM 399 O VAL A 45 10.037 7.104 -2.325 1.00 21.53 O ATOM 400 CB VAL A 45 8.176 5.028 -3.711 1.00 16.87 C ATOM 401 CG1 VAL A 45 6.861 5.759 -3.773 1.00 22.90 C ATOM 402 CG2 VAL A 45 8.039 3.694 -4.383 1.00 20.82 C ATOM 403 H VAL A 45 11.137 5.130 -3.434 1.00 0.00 H ATOM 404 N ASN A 46 8.878 8.232 -3.900 1.00 19.12 N ATOM 405 CA ASN A 46 8.713 9.423 -3.102 1.00 23.06 C ATOM 406 C ASN A 46 7.340 9.963 -3.335 1.00 24.99 C ATOM 407 O ASN A 46 7.049 10.473 -4.387 1.00 24.26 O ATOM 408 CB ASN A 46 9.755 10.468 -3.431 1.00 31.13 C ATOM 409 CG ASN A 46 11.090 10.274 -2.668 1.00 47.21 C ATOM 410 OD1 ASN A 46 11.172 9.845 -1.494 1.00 40.04 O ATOM 411 ND2 ASN A 46 12.135 10.657 -3.330 1.00 42.00 N ATOM 412 HD22 ASN A 46 12.034 11.008 -4.304 1.00 0.00 H ATOM 413 HD21 ASN A 46 13.075 10.613 -2.888 1.00 0.00 H ATOM 414 H ASN A 46 8.537 8.228 -4.883 1.00 0.00 H ATOM 415 N GLY A 47 6.520 9.810 -2.311 1.00 26.40 N ATOM 416 CA GLY A 47 5.134 10.200 -2.390 1.00 23.77 C ATOM 417 C GLY A 47 4.424 9.463 -3.515 1.00 19.69 C ATOM 418 O GLY A 47 4.382 8.230 -3.574 1.00 25.19 O ATOM 419 H GLY A 47 6.882 9.399 -1.427 1.00 0.00 H ATOM 420 N ASP A 48 3.847 10.214 -4.447 1.00 19.88 N ATOM 421 CA ASP A 48 3.121 9.665 -5.566 1.00 18.79 C ATOM 422 C ASP A 48 3.998 9.194 -6.694 1.00 15.76 C ATOM 423 O ASP A 48 3.514 8.545 -7.596 1.00 16.16 O ATOM 424 CB ASP A 48 2.182 10.744 -6.145 1.00 19.32 C ATOM 425 CG ASP A 48 1.083 11.152 -5.202 1.00 27.45 C ATOM 426 OD1 ASP A 48 0.456 10.286 -4.533 1.00 33.84 O ATOM 427 OD2 ASP A 48 0.858 12.383 -5.219 1.00 35.75 O ATOM 428 H ASP A 48 3.923 11.248 -4.366 1.00 0.00 H ATOM 429 N VAL A 49 5.278 9.537 -6.683 1.00 15.32 N ATOM 430 CA VAL A 49 6.157 9.230 -7.817 1.00 14.25 C ATOM 431 C VAL A 49 7.025 8.005 -7.559 1.00 12.81 C ATOM 432 O VAL A 49 7.826 7.948 -6.620 1.00 14.71 O ATOM 433 CB VAL A 49 7.023 10.443 -8.140 1.00 16.29 C ATOM 434 CG1 VAL A 49 7.936 10.155 -9.385 1.00 19.53 C ATOM 435 CG2 VAL A 49 6.164 11.683 -8.319 1.00 19.55 C ATOM 436 H VAL A 49 5.667 10.033 -5.855 1.00 0.00 H ATOM 437 N ILE A 50 6.904 7.037 -8.436 1.00 11.64 N ATOM 438 CA ILE A 50 7.703 5.838 -8.458 1.00 11.01 C ATOM 439 C ILE A 50 8.764 5.987 -9.516 1.00 11.01 C ATOM 440 O ILE A 50 8.491 6.413 -10.641 1.00 11.30 O ATOM 441 CB ILE A 50 6.856 4.585 -8.749 1.00 11.20 C ATOM 442 CG1 ILE A 50 5.716 4.460 -7.696 1.00 13.13 C ATOM 443 CG2 ILE A 50 7.773 3.341 -8.808 1.00 12.11 C ATOM 444 CD1 ILE A 50 4.642 3.503 -8.160 1.00 17.84 C ATOM 445 H ILE A 50 6.176 7.143 -9.171 1.00 0.00 H ATOM 446 N THR A 51 10.003 5.658 -9.152 1.00 10.52 N ATOM 447 CA THR A 51 11.135 5.683 -10.140 1.00 10.90 C ATOM 448 C THR A 51 11.693 4.289 -10.293 1.00 9.34 C ATOM 449 O THR A 51 11.956 3.594 -9.307 1.00 10.83 O ATOM 450 CB THR A 51 12.238 6.632 -9.692 1.00 11.85 C ATOM 451 OG1 THR A 51 11.693 7.964 -9.585 1.00 12.23 O ATOM 452 CG2 THR A 51 13.417 6.637 -10.712 1.00 12.39 C ATOM 453 HG1 THR A 51 11.344 8.248 -10.467 1.00 0.00 H ATOM 454 H THR A 51 10.190 5.379 -8.168 1.00 0.00 H ATOM 455 N ILE A 52 11.841 3.822 -11.526 1.00 9.42 N ATOM 456 CA ILE A 52 12.489 2.573 -11.868 1.00 9.28 C ATOM 457 C ILE A 52 13.695 2.876 -12.755 1.00 9.29 C ATOM 458 O ILE A 52 13.541 3.333 -13.901 1.00 9.90 O ATOM 459 CB ILE A 52 11.581 1.571 -12.583 1.00 10.79 C ATOM 460 CG1 ILE A 52 10.310 1.304 -11.734 1.00 12.03 C ATOM 461 CG2 ILE A 52 12.337 0.251 -12.883 1.00 12.04 C ATOM 462 CD1 ILE A 52 9.295 0.393 -12.404 1.00 12.58 C ATOM 463 H ILE A 52 11.463 4.397 -12.306 1.00 0.00 H ATOM 464 N LYS A 53 14.879 2.679 -12.238 1.00 9.08 N ATOM 465 CA LYS A 53 16.150 2.854 -12.964 1.00 10.54 C ATOM 466 C LYS A 53 16.666 1.491 -13.337 1.00 10.50 C ATOM 467 O LYS A 53 16.623 0.573 -12.517 1.00 14.11 O ATOM 468 CB LYS A 53 17.196 3.494 -12.083 1.00 12.87 C ATOM 469 CG LYS A 53 16.892 4.805 -11.491 1.00 16.36 C ATOM 470 CD LYS A 53 18.104 5.368 -10.710 1.00 17.73 C ATOM 471 CE LYS A 53 17.983 6.920 -10.375 1.00 18.22 C ATOM 472 NZ LYS A 53 19.135 7.341 -9.508 1.00 23.18 N ATOM 473 HZ1 LYS A 53 19.120 6.794 -8.623 1.00 0.00 H ATOM 474 HZ2 LYS A 53 20.028 7.164 -10.011 1.00 0.00 H ATOM 475 HZ3 LYS A 53 19.052 8.355 -9.292 1.00 0.00 H ATOM 476 H LYS A 53 14.928 2.377 -11.244 1.00 0.00 H ATOM 477 N SER A 54 17.065 1.308 -14.565 1.00 10.87 N ATOM 478 CA SER A 54 17.630 0.050 -15.052 1.00 10.88 C ATOM 479 C SER A 54 19.015 0.314 -15.587 1.00 10.11 C ATOM 480 O SER A 54 19.192 1.181 -16.432 1.00 12.87 O ATOM 481 CB SER A 54 16.703 -0.542 -16.112 1.00 12.90 C ATOM 482 OG SER A 54 15.406 -0.642 -15.570 1.00 15.83 O ATOM 483 HG SER A 54 14.795 -1.025 -16.248 1.00 0.00 H ATOM 484 H SER A 54 16.977 2.099 -15.234 1.00 0.00 H ATOM 485 N GLU A 55 20.007 -0.444 -15.122 1.00 10.30 N ATOM 486 CA GLU A 55 21.407 -0.190 -15.428 1.00 10.35 C ATOM 487 C GLU A 55 22.116 -1.405 -15.965 1.00 10.13 C ATOM 488 O GLU A 55 21.975 -2.487 -15.402 1.00 10.71 O ATOM 489 CB GLU A 55 22.130 0.337 -14.192 1.00 14.17 C ATOM 490 CG GLU A 55 21.592 1.644 -13.634 1.00 18.19 C ATOM 491 CD GLU A 55 22.244 2.109 -12.352 1.00 20.29 C ATOM 492 OE1 GLU A 55 23.057 1.355 -11.751 1.00 25.91 O ATOM 493 OE2 GLU A 55 21.892 3.254 -11.958 1.00 28.56 O ATOM 494 H GLU A 55 19.770 -1.253 -14.513 1.00 0.00 H ATOM 495 N SER A 56 22.898 -1.182 -17.007 1.00 9.83 N ATOM 496 CA SER A 56 23.726 -2.252 -17.584 1.00 10.50 C ATOM 497 C SER A 56 24.840 -1.580 -18.415 1.00 10.56 C ATOM 498 O SER A 56 24.737 -0.463 -18.783 1.00 11.39 O ATOM 499 CB SER A 56 22.882 -3.212 -18.445 1.00 9.82 C ATOM 500 OG SER A 56 22.484 -2.604 -19.659 1.00 10.18 O ATOM 501 HG SER A 56 21.942 -1.800 -19.462 1.00 0.00 H ATOM 502 H SER A 56 22.928 -0.231 -17.427 1.00 0.00 H ATOM 503 N THR A 57 25.800 -2.426 -18.818 1.00 11.43 N ATOM 504 CA THR A 57 26.848 -1.917 -19.729 1.00 11.81 C ATOM 505 C THR A 57 26.310 -1.611 -21.108 1.00 11.31 C ATOM 506 O THR A 57 26.857 -0.769 -21.772 1.00 14.78 O ATOM 507 CB THR A 57 28.049 -2.914 -19.849 1.00 12.59 C ATOM 508 OG1 THR A 57 27.527 -4.115 -20.374 1.00 13.89 O ATOM 509 CG2 THR A 57 28.756 -3.152 -18.535 1.00 15.07 C ATOM 510 HG1 THR A 57 28.257 -4.778 -20.467 1.00 0.00 H ATOM 511 H THR A 57 25.807 -3.415 -18.498 1.00 0.00 H ATOM 512 N PHE A 58 25.245 -2.304 -21.511 1.00 11.49 N ATOM 513 CA PHE A 58 24.569 -2.025 -22.766 1.00 13.04 C ATOM 514 C PHE A 58 23.985 -0.603 -22.788 1.00 12.92 C ATOM 515 O PHE A 58 24.277 0.181 -23.702 1.00 14.53 O ATOM 516 CB PHE A 58 23.479 -3.084 -22.984 1.00 13.02 C ATOM 517 CG PHE A 58 22.323 -2.682 -23.851 1.00 13.85 C ATOM 518 CD1 PHE A 58 22.495 -2.221 -25.159 1.00 15.76 C ATOM 519 CD2 PHE A 58 21.063 -2.871 -23.423 1.00 12.54 C ATOM 520 CE1 PHE A 58 21.395 -1.854 -25.944 1.00 17.47 C ATOM 521 CE2 PHE A 58 19.941 -2.503 -24.200 1.00 15.93 C ATOM 522 CZ PHE A 58 20.101 -2.006 -25.446 1.00 16.23 C ATOM 523 H PHE A 58 24.886 -3.070 -20.906 1.00 0.00 H ATOM 524 N LYS A 59 23.209 -0.264 -21.793 1.00 11.88 N ATOM 525 CA LYS A 59 22.462 0.937 -21.696 1.00 13.39 C ATOM 526 C LYS A 59 21.871 1.072 -20.317 1.00 10.53 C ATOM 527 O LYS A 59 21.652 0.083 -19.625 1.00 10.32 O ATOM 528 CB LYS A 59 21.271 0.869 -22.770 1.00 15.92 C ATOM 529 CG LYS A 59 20.502 2.135 -23.000 1.00 19.70 C ATOM 530 CD LYS A 59 19.701 1.988 -24.275 1.00 21.66 C ATOM 531 CE LYS A 59 19.350 3.336 -24.864 1.00 34.25 C ATOM 532 NZ LYS A 59 18.782 3.116 -26.218 1.00 39.66 N ATOM 533 HZ1 LYS A 59 19.486 2.637 -26.814 1.00 0.00 H ATOM 534 HZ2 LYS A 59 17.930 2.525 -26.143 1.00 0.00 H ATOM 535 HZ3 LYS A 59 18.533 4.033 -26.641 1.00 0.00 H ATOM 536 H LYS A 59 23.133 -0.935 -21.002 1.00 0.00 H ATOM 537 N ASN A 60 21.523 2.303 -19.953 1.00 10.70 N ATOM 538 CA ASN A 60 20.725 2.623 -18.762 1.00 10.80 C ATOM 539 C ASN A 60 19.434 3.285 -19.198 1.00 11.07 C ATOM 540 O ASN A 60 19.412 3.970 -20.201 1.00 14.21 O ATOM 541 CB ASN A 60 21.443 3.598 -17.837 1.00 11.44 C ATOM 542 CG ASN A 60 22.703 3.049 -17.197 1.00 13.32 C ATOM 543 OD1 ASN A 60 23.083 1.885 -17.279 1.00 12.75 O ATOM 544 ND2 ASN A 60 23.318 3.927 -16.456 1.00 21.86 N ATOM 545 HD22 ASN A 60 22.968 4.905 -16.410 1.00 0.00 H ATOM 546 HD21 ASN A 60 24.159 3.649 -15.910 1.00 0.00 H ATOM 547 H ASN A 60 21.837 3.093 -20.552 1.00 0.00 H ATOM 548 N THR A 61 18.353 3.023 -18.475 1.00 10.51 N ATOM 549 CA THR A 61 17.072 3.720 -18.678 1.00 10.31 C ATOM 550 C THR A 61 16.552 4.161 -17.288 1.00 9.32 C ATOM 551 O THR A 61 16.907 3.586 -16.270 1.00 10.30 O ATOM 552 CB THR A 61 16.011 2.817 -19.365 1.00 12.45 C ATOM 553 OG1 THR A 61 15.747 1.639 -18.579 1.00 11.95 O ATOM 554 CG2 THR A 61 16.350 2.482 -20.793 1.00 13.01 C ATOM 555 HG1 THR A 61 15.069 1.082 -19.038 1.00 0.00 H ATOM 556 H THR A 61 18.413 2.295 -17.734 1.00 0.00 H ATOM 557 N GLU A 62 15.619 5.097 -17.283 1.00 9.89 N ATOM 558 CA GLU A 62 14.897 5.489 -16.090 1.00 9.01 C ATOM 559 C GLU A 62 13.512 5.931 -16.477 1.00 9.52 C ATOM 560 O GLU A 62 13.334 6.636 -17.473 1.00 11.34 O ATOM 561 CB GLU A 62 15.609 6.623 -15.404 1.00 10.84 C ATOM 562 CG GLU A 62 14.937 7.113 -14.123 1.00 11.29 C ATOM 563 CD GLU A 62 15.759 8.167 -13.429 1.00 11.56 C ATOM 564 OE1 GLU A 62 16.961 7.906 -13.122 1.00 12.94 O ATOM 565 OE2 GLU A 62 15.244 9.266 -13.157 1.00 13.08 O ATOM 566 H GLU A 62 15.392 5.575 -18.178 1.00 0.00 H ATOM 567 N ILE A 63 12.509 5.476 -15.718 1.00 9.54 N ATOM 568 CA ILE A 63 11.166 5.993 -15.831 1.00 10.47 C ATOM 569 C ILE A 63 10.777 6.478 -14.446 1.00 10.36 C ATOM 570 O ILE A 63 11.071 5.846 -13.442 1.00 12.17 O ATOM 571 CB ILE A 63 10.179 4.982 -16.447 1.00 11.61 C ATOM 572 CG1 ILE A 63 10.117 3.661 -15.672 1.00 12.55 C ATOM 573 CG2 ILE A 63 10.434 4.838 -17.936 1.00 13.23 C ATOM 574 CD1 ILE A 63 9.002 2.720 -16.138 1.00 13.81 C ATOM 575 H ILE A 63 12.703 4.726 -15.024 1.00 0.00 H ATOM 576 N SER A 64 10.004 7.562 -14.395 1.00 11.10 N ATOM 577 CA SER A 64 9.371 8.055 -13.171 1.00 12.42 C ATOM 578 C SER A 64 7.923 8.321 -13.553 1.00 12.96 C ATOM 579 O SER A 64 7.649 8.895 -14.601 1.00 14.55 O ATOM 580 CB SER A 64 10.020 9.357 -12.662 1.00 15.12 C ATOM 581 OG SER A 64 11.248 9.073 -12.102 1.00 16.82 O ATOM 582 HG SER A 64 11.127 8.447 -11.345 1.00 0.00 H ATOM 583 H SER A 64 9.841 8.089 -15.277 1.00 0.00 H ATOM 584 N PHE A 65 7.001 7.872 -12.710 1.00 11.63 N ATOM 585 CA PHE A 65 5.600 7.935 -13.062 1.00 12.61 C ATOM 586 C PHE A 65 4.756 7.937 -11.813 1.00 12.54 C ATOM 587 O PHE A 65 5.150 7.587 -10.695 1.00 11.95 O ATOM 588 CB PHE A 65 5.252 6.731 -13.918 1.00 12.62 C ATOM 589 CG PHE A 65 5.598 5.439 -13.269 1.00 11.96 C ATOM 590 CD1 PHE A 65 6.848 4.888 -13.418 1.00 12.10 C ATOM 591 CD2 PHE A 65 4.646 4.718 -12.534 1.00 12.11 C ATOM 592 CE1 PHE A 65 7.171 3.746 -12.794 1.00 13.29 C ATOM 593 CE2 PHE A 65 4.972 3.527 -11.902 1.00 13.67 C ATOM 594 CZ PHE A 65 6.258 3.025 -12.049 1.00 14.01 C ATOM 595 H PHE A 65 7.287 7.473 -11.793 1.00 0.00 H ATOM 596 N ILE A 66 3.522 8.320 -12.030 1.00 12.31 N ATOM 597 CA ILE A 66 2.419 8.252 -11.070 1.00 12.30 C ATOM 598 C ILE A 66 1.446 7.168 -11.532 1.00 12.53 C ATOM 599 O ILE A 66 1.139 7.082 -12.721 1.00 12.52 O ATOM 600 CB ILE A 66 1.724 9.619 -10.979 1.00 12.75 C ATOM 601 CG1 ILE A 66 2.723 10.624 -10.399 1.00 13.59 C ATOM 602 CG2 ILE A 66 0.476 9.536 -10.104 1.00 16.14 C ATOM 603 CD1 ILE A 66 2.228 12.054 -10.290 1.00 19.08 C ATOM 604 H ILE A 66 3.306 8.708 -12.971 1.00 0.00 H ATOM 605 N LEU A 67 1.014 6.315 -10.617 1.00 11.44 N ATOM 606 CA LEU A 67 0.075 5.251 -10.978 1.00 12.05 C ATOM 607 C LEU A 67 -1.155 5.870 -11.663 1.00 12.30 C ATOM 608 O LEU A 67 -1.732 6.846 -11.192 1.00 12.91 O ATOM 609 CB LEU A 67 -0.338 4.443 -9.764 1.00 13.63 C ATOM 610 CG LEU A 67 0.825 3.688 -9.110 1.00 13.93 C ATOM 611 CD1 LEU A 67 0.396 3.077 -7.793 1.00 16.74 C ATOM 612 CD2 LEU A 67 1.348 2.593 -10.051 1.00 14.67 C ATOM 613 H LEU A 67 1.344 6.401 -9.634 1.00 0.00 H ATOM 614 N GLY A 68 -1.532 5.284 -12.788 1.00 12.11 N ATOM 615 CA GLY A 68 -2.740 5.688 -13.472 1.00 12.79 C ATOM 616 C GLY A 68 -2.598 6.933 -14.386 1.00 13.73 C ATOM 617 O GLY A 68 -3.588 7.321 -14.967 1.00 19.49 O ATOM 618 H GLY A 68 -0.950 4.520 -13.187 1.00 0.00 H ATOM 619 N GLN A 69 -1.419 7.538 -14.470 1.00 13.89 N ATOM 620 CA GLN A 69 -1.166 8.688 -15.298 1.00 14.26 C ATOM 621 C GLN A 69 -0.322 8.332 -16.484 1.00 13.87 C ATOM 622 O GLN A 69 0.846 7.960 -16.333 1.00 13.27 O ATOM 623 CB GLN A 69 -0.488 9.770 -14.468 1.00 14.69 C ATOM 624 CG GLN A 69 -0.351 11.036 -15.219 1.00 16.00 C ATOM 625 CD GLN A 69 0.489 12.002 -14.433 1.00 16.92 C ATOM 626 OE1 GLN A 69 0.080 12.591 -13.419 1.00 23.14 O ATOM 627 NE2 GLN A 69 1.715 12.002 -14.750 1.00 24.16 N ATOM 628 HE22 GLN A 69 2.031 11.501 -15.605 1.00 0.00 H ATOM 629 HE21 GLN A 69 2.406 12.503 -14.156 1.00 0.00 H ATOM 630 H GLN A 69 -0.633 7.159 -13.905 1.00 0.00 H ATOM 631 N GLU A 70 -0.878 8.376 -17.689 1.00 13.51 N ATOM 632 CA GLU A 70 -0.157 7.992 -18.893 1.00 12.84 C ATOM 633 C GLU A 70 1.002 8.948 -19.076 1.00 12.45 C ATOM 634 O GLU A 70 0.907 10.113 -18.791 1.00 13.89 O ATOM 635 CB GLU A 70 -1.116 8.059 -20.098 1.00 14.96 C ATOM 636 CG GLU A 70 -0.499 7.560 -21.383 1.00 16.13 C ATOM 637 CD GLU A 70 -1.469 7.456 -22.509 1.00 21.03 C ATOM 638 OE1 GLU A 70 -2.020 8.489 -22.896 1.00 25.54 O ATOM 639 OE2 GLU A 70 -1.685 6.313 -23.013 1.00 23.06 O ATOM 640 H GLU A 70 -1.864 8.696 -17.775 1.00 0.00 H ATOM 641 N PHE A 71 2.122 8.414 -19.551 1.00 12.85 N ATOM 642 CA PHE A 71 3.295 9.223 -19.788 1.00 12.12 C ATOM 643 C PHE A 71 3.989 8.728 -21.067 1.00 11.60 C ATOM 644 O PHE A 71 3.783 7.621 -21.518 1.00 13.02 O ATOM 645 CB PHE A 71 4.276 9.226 -18.607 1.00 13.97 C ATOM 646 CG PHE A 71 4.830 7.856 -18.224 1.00 12.65 C ATOM 647 CD1 PHE A 71 4.087 6.920 -17.513 1.00 12.25 C ATOM 648 CD2 PHE A 71 6.115 7.500 -18.543 1.00 13.38 C ATOM 649 CE1 PHE A 71 4.632 5.674 -17.164 1.00 12.65 C ATOM 650 CE2 PHE A 71 6.660 6.296 -18.208 1.00 14.81 C ATOM 651 CZ PHE A 71 5.937 5.374 -17.497 1.00 13.45 C ATOM 652 H PHE A 71 2.155 7.395 -19.756 1.00 0.00 H ATOM 653 N ASP A 72 4.829 9.612 -21.630 1.00 12.36 N ATOM 654 CA ASP A 72 5.661 9.242 -22.783 1.00 12.64 C ATOM 655 C ASP A 72 6.940 8.612 -22.278 1.00 13.34 C ATOM 656 O ASP A 72 7.604 9.158 -21.381 1.00 16.30 O ATOM 657 CB ASP A 72 6.001 10.489 -23.602 1.00 13.71 C ATOM 658 CG ASP A 72 4.791 11.184 -24.193 1.00 17.61 C ATOM 659 OD1 ASP A 72 3.854 10.514 -24.606 1.00 18.97 O ATOM 660 OD2 ASP A 72 4.719 12.411 -24.158 1.00 26.44 O ATOM 661 H ASP A 72 4.892 10.575 -21.243 1.00 0.00 H ATOM 662 N GLU A 73 7.286 7.507 -22.890 1.00 12.76 N ATOM 663 CA GLU A 73 8.472 6.735 -22.541 1.00 12.22 C ATOM 664 C GLU A 73 9.238 6.453 -23.815 1.00 12.43 C ATOM 665 O GLU A 73 8.694 6.068 -24.833 1.00 12.88 O ATOM 666 CB GLU A 73 8.071 5.419 -21.843 1.00 11.90 C ATOM 667 CG GLU A 73 9.214 4.480 -21.523 1.00 13.42 C ATOM 668 CD GLU A 73 8.831 3.127 -20.941 1.00 12.53 C ATOM 669 OE1 GLU A 73 7.631 2.827 -20.828 1.00 12.80 O ATOM 670 OE2 GLU A 73 9.757 2.369 -20.591 1.00 14.87 O ATOM 671 H GLU A 73 6.684 7.163 -23.665 1.00 0.00 H ATOM 672 N VAL A 74 10.563 6.592 -23.723 1.00 13.02 N ATOM 673 CA VAL A 74 11.502 6.107 -24.732 1.00 12.03 C ATOM 674 C VAL A 74 12.110 4.817 -24.199 1.00 11.78 C ATOM 675 O VAL A 74 12.742 4.797 -23.146 1.00 14.17 O ATOM 676 CB VAL A 74 12.599 7.156 -25.056 1.00 15.04 C ATOM 677 CG1 VAL A 74 13.534 6.544 -26.109 1.00 19.57 C ATOM 678 CG2 VAL A 74 11.979 8.466 -25.538 1.00 17.78 C ATOM 679 H VAL A 74 10.949 7.073 -22.885 1.00 0.00 H ATOM 680 N THR A 75 11.842 3.735 -24.911 1.00 10.54 N ATOM 681 CA THR A 75 12.271 2.430 -24.477 1.00 10.58 C ATOM 682 C THR A 75 13.744 2.202 -24.754 1.00 10.45 C ATOM 683 O THR A 75 14.383 2.957 -25.526 1.00 12.18 O ATOM 684 CB THR A 75 11.414 1.347 -25.068 1.00 9.67 C ATOM 685 OG1 THR A 75 11.616 1.290 -26.476 1.00 11.00 O ATOM 686 CG2 THR A 75 9.911 1.599 -24.768 1.00 11.12 C ATOM 687 HG1 THR A 75 12.568 1.095 -26.664 1.00 0.00 H ATOM 688 H THR A 75 11.312 3.828 -25.801 1.00 0.00 H ATOM 689 N ALA A 76 14.294 1.131 -24.208 1.00 10.65 N ATOM 690 CA ALA A 76 15.679 0.824 -24.450 1.00 12.07 C ATOM 691 C ALA A 76 16.013 0.643 -25.943 1.00 12.38 C ATOM 692 O ALA A 76 17.157 0.945 -26.346 1.00 15.78 O ATOM 693 CB ALA A 76 16.092 -0.416 -23.663 1.00 13.13 C ATOM 694 H ALA A 76 13.724 0.508 -23.601 1.00 0.00 H ATOM 695 N ASP A 77 15.073 0.129 -26.713 1.00 11.40 N ATOM 696 CA ASP A 77 15.168 -0.043 -28.163 1.00 12.69 C ATOM 697 C ASP A 77 14.688 1.176 -28.961 1.00 13.17 C ATOM 698 O ASP A 77 14.514 1.140 -30.188 1.00 16.56 O ATOM 699 CB ASP A 77 14.488 -1.310 -28.636 1.00 13.51 C ATOM 700 CG ASP A 77 12.999 -1.343 -28.253 1.00 13.01 C ATOM 701 OD1 ASP A 77 12.689 -1.078 -27.073 1.00 12.15 O ATOM 702 OD2 ASP A 77 12.175 -1.689 -29.123 1.00 14.48 O ATOM 703 H ASP A 77 14.193 -0.179 -26.252 1.00 0.00 H ATOM 704 N ASP A 78 14.458 2.295 -28.281 1.00 12.78 N ATOM 705 CA ASP A 78 14.112 3.615 -28.882 1.00 13.53 C ATOM 706 C ASP A 78 12.715 3.640 -29.505 1.00 13.34 C ATOM 707 O ASP A 78 12.473 4.430 -30.399 1.00 17.86 O ATOM 708 CB ASP A 78 15.225 4.177 -29.798 1.00 16.91 C ATOM 709 CG ASP A 78 15.308 5.761 -29.809 1.00 21.12 C ATOM 710 OD1 ASP A 78 14.723 6.439 -28.899 1.00 23.47 O ATOM 711 OD2 ASP A 78 15.944 6.277 -30.730 1.00 40.65 O ATOM 712 H ASP A 78 14.525 2.246 -27.244 1.00 0.00 H ATOM 713 N ARG A 79 11.802 2.782 -29.037 1.00 12.04 N ATOM 714 CA ARG A 79 10.385 3.035 -29.325 1.00 12.20 C ATOM 715 C ARG A 79 9.907 4.231 -28.534 1.00 12.34 C ATOM 716 O ARG A 79 10.295 4.437 -27.393 1.00 14.11 O ATOM 717 CB ARG A 79 9.495 1.838 -28.985 1.00 11.57 C ATOM 718 CG ARG A 79 9.631 0.658 -29.908 1.00 12.69 C ATOM 719 CD ARG A 79 8.840 -0.510 -29.362 1.00 12.42 C ATOM 720 NE ARG A 79 9.590 -1.116 -28.256 1.00 12.32 N ATOM 721 CZ ARG A 79 9.111 -1.430 -27.055 1.00 11.74 C ATOM 722 NH1 ARG A 79 7.831 -1.333 -26.747 1.00 12.84 N ATOM 723 NH2 ARG A 79 9.985 -1.887 -26.153 1.00 12.02 N ATOM 724 HE ARG A 79 10.595 -1.320 -28.428 1.00 0.00 H ATOM 725 HH12 ARG A 79 7.505 -1.590 -25.794 1.00 0.00 H ATOM 726 HH11 ARG A 79 7.149 -0.999 -27.458 1.00 0.00 H ATOM 727 HH22 ARG A 79 9.661 -2.146 -25.200 1.00 0.00 H ATOM 728 HH21 ARG A 79 10.990 -1.983 -26.405 1.00 0.00 H ATOM 729 H ARG A 79 12.090 1.952 -28.480 1.00 0.00 H ATOM 730 N LYS A 80 9.013 5.030 -29.132 1.00 12.97 N ATOM 731 CA LYS A 80 8.341 6.096 -28.454 1.00 12.90 C ATOM 732 C LYS A 80 6.948 5.632 -28.161 1.00 13.46 C ATOM 733 O LYS A 80 6.113 5.443 -29.041 1.00 14.60 O ATOM 734 CB LYS A 80 8.266 7.354 -29.336 1.00 16.58 C ATOM 735 CG LYS A 80 9.650 7.931 -29.696 1.00 22.80 C ATOM 736 CD LYS A 80 10.719 8.066 -28.618 1.00 27.40 C ATOM 737 CE LYS A 80 11.856 9.042 -28.975 1.00 31.25 C ATOM 738 NZ LYS A 80 12.937 8.586 -29.919 1.00 38.45 N ATOM 739 HZ1 LYS A 80 13.419 7.757 -29.517 1.00 0.00 H ATOM 740 HZ2 LYS A 80 12.512 8.332 -30.834 1.00 0.00 H ATOM 741 HZ3 LYS A 80 13.623 9.355 -30.056 1.00 0.00 H ATOM 742 H LYS A 80 8.797 4.868 -30.136 1.00 0.00 H ATOM 743 N VAL A 81 6.714 5.300 -26.901 1.00 11.99 N ATOM 744 CA VAL A 81 5.499 4.644 -26.467 1.00 11.68 C ATOM 745 C VAL A 81 4.728 5.513 -25.477 1.00 11.19 C ATOM 746 O VAL A 81 5.286 6.373 -24.816 1.00 12.26 O ATOM 747 CB VAL A 81 5.781 3.233 -25.897 1.00 10.99 C ATOM 748 CG1 VAL A 81 6.621 2.376 -26.859 1.00 12.68 C ATOM 749 CG2 VAL A 81 6.424 3.287 -24.510 1.00 12.51 C ATOM 750 H VAL A 81 7.438 5.521 -26.188 1.00 0.00 H ATOM 751 N LYS A 82 3.428 5.248 -25.386 1.00 11.25 N ATOM 752 CA LYS A 82 2.549 5.797 -24.352 1.00 11.87 C ATOM 753 C LYS A 82 2.412 4.698 -23.308 1.00 11.43 C ATOM 754 O LYS A 82 1.932 3.597 -23.602 1.00 11.83 O ATOM 755 CB LYS A 82 1.197 6.140 -24.906 1.00 13.52 C ATOM 756 CG LYS A 82 1.217 7.231 -25.948 1.00 16.92 C ATOM 757 CD LYS A 82 1.410 8.554 -25.268 1.00 20.04 C ATOM 758 CE LYS A 82 1.072 9.693 -26.179 1.00 26.71 C ATOM 759 NZ LYS A 82 1.378 11.010 -25.523 1.00 31.64 N ATOM 760 HZ1 LYS A 82 0.818 11.100 -24.651 1.00 0.00 H ATOM 761 HZ2 LYS A 82 2.391 11.054 -25.292 1.00 0.00 H ATOM 762 HZ3 LYS A 82 1.136 11.784 -26.173 1.00 0.00 H ATOM 763 H LYS A 82 3.010 4.611 -26.094 1.00 0.00 H ATOM 764 N SER A 83 2.856 4.998 -22.101 1.00 10.82 N ATOM 765 CA SER A 83 2.872 4.048 -20.995 1.00 10.04 C ATOM 766 C SER A 83 1.906 4.435 -19.906 1.00 10.87 C ATOM 767 O SER A 83 1.789 5.575 -19.503 1.00 11.46 O ATOM 768 CB SER A 83 4.272 4.006 -20.404 1.00 10.81 C ATOM 769 OG SER A 83 5.104 3.310 -21.284 1.00 12.42 O ATOM 770 HG SER A 83 6.021 3.275 -20.911 1.00 0.00 H ATOM 771 H SER A 83 3.212 5.960 -21.931 1.00 0.00 H ATOM 772 N THR A 84 1.285 3.407 -19.338 1.00 10.41 N ATOM 773 CA THR A 84 0.416 3.563 -18.177 1.00 10.68 C ATOM 774 C THR A 84 0.726 2.425 -17.239 1.00 10.27 C ATOM 775 O THR A 84 0.741 1.275 -17.619 1.00 10.85 O ATOM 776 CB THR A 84 -1.075 3.555 -18.555 1.00 12.16 C ATOM 777 OG1 THR A 84 -1.303 4.474 -19.650 1.00 14.34 O ATOM 778 CG2 THR A 84 -1.919 4.044 -17.338 1.00 15.91 C ATOM 779 HG1 THR A 84 -0.763 4.195 -20.432 1.00 0.00 H ATOM 780 H THR A 84 1.424 2.456 -19.736 1.00 0.00 H ATOM 781 N ILE A 85 0.945 2.781 -15.978 1.00 10.79 N ATOM 782 CA ILE A 85 1.327 1.816 -14.925 1.00 10.85 C ATOM 783 C ILE A 85 0.304 1.942 -13.814 1.00 11.54 C ATOM 784 O ILE A 85 0.017 3.029 -13.303 1.00 12.26 O ATOM 785 CB ILE A 85 2.763 1.963 -14.454 1.00 11.11 C ATOM 786 CG1 ILE A 85 3.720 1.914 -15.689 1.00 11.48 C ATOM 787 CG2 ILE A 85 3.101 0.896 -13.435 1.00 12.13 C ATOM 788 CD1 ILE A 85 5.178 2.108 -15.369 1.00 12.02 C ATOM 789 H ILE A 85 0.843 3.783 -15.720 1.00 0.00 H ATOM 790 N THR A 86 -0.240 0.806 -13.413 1.00 10.80 N ATOM 791 CA THR A 86 -1.235 0.677 -12.325 1.00 12.09 C ATOM 792 C THR A 86 -0.783 -0.412 -11.381 1.00 12.13 C ATOM 793 O THR A 86 0.116 -1.211 -11.673 1.00 12.62 O ATOM 794 CB THR A 86 -2.619 0.327 -12.903 1.00 13.85 C ATOM 795 OG1 THR A 86 -2.479 -0.801 -13.762 1.00 18.24 O ATOM 796 CG2 THR A 86 -3.147 1.509 -13.710 1.00 15.88 C ATOM 797 HG1 THR A 86 -1.852 -0.580 -14.496 1.00 0.00 H ATOM 798 H THR A 86 0.054 -0.065 -13.900 1.00 0.00 H ATOM 799 N LEU A 87 -1.378 -0.439 -10.212 1.00 13.21 N ATOM 800 CA LEU A 87 -1.116 -1.437 -9.191 1.00 14.59 C ATOM 801 C LEU A 87 -2.416 -2.245 -9.063 1.00 18.53 C ATOM 802 O LEU A 87 -3.422 -1.666 -8.689 1.00 26.75 O ATOM 803 CB LEU A 87 -0.673 -0.784 -7.878 1.00 21.90 C ATOM 804 CG LEU A 87 -0.151 -1.653 -6.770 1.00 23.87 C ATOM 805 CD1 LEU A 87 1.026 -2.494 -7.184 1.00 22.64 C ATOM 806 CD2 LEU A 87 0.197 -0.707 -5.629 1.00 32.63 C ATOM 807 H LEU A 87 -2.080 0.300 -10.004 1.00 0.00 H ATOM 808 N ASP A 88 -2.364 -3.533 -9.420 1.00 16.71 N ATOM 809 CA ASP A 88 -3.500 -4.461 -9.542 1.00 18.15 C ATOM 810 C ASP A 88 -3.182 -5.668 -8.639 1.00 19.26 C ATOM 811 O ASP A 88 -2.349 -6.490 -8.966 1.00 19.21 O ATOM 812 CB ASP A 88 -3.769 -4.886 -11.024 1.00 22.51 C ATOM 813 CG ASP A 88 -5.096 -5.658 -11.227 1.00 28.65 C ATOM 814 OD1 ASP A 88 -5.717 -6.067 -10.254 1.00 38.43 O ATOM 815 OD2 ASP A 88 -5.501 -5.879 -12.397 1.00 48.23 O ATOM 816 H ASP A 88 -1.422 -3.919 -9.634 1.00 0.00 H ATOM 817 N GLY A 89 -3.859 -5.807 -7.508 1.00 22.80 N ATOM 818 CA GLY A 89 -3.631 -6.969 -6.664 1.00 22.82 C ATOM 819 C GLY A 89 -2.151 -7.169 -6.289 1.00 21.42 C ATOM 820 O GLY A 89 -1.630 -8.300 -6.254 1.00 27.09 O ATOM 821 H GLY A 89 -4.553 -5.086 -7.224 1.00 0.00 H ATOM 822 N GLY A 90 -1.473 -6.069 -5.965 1.00 23.17 N ATOM 823 CA GLY A 90 -0.070 -6.116 -5.564 1.00 25.08 C ATOM 824 C GLY A 90 0.922 -6.175 -6.732 1.00 22.68 C ATOM 825 O GLY A 90 2.124 -6.160 -6.479 1.00 28.00 O ATOM 826 H GLY A 90 -1.958 -5.149 -5.999 1.00 0.00 H ATOM 827 N VAL A 91 0.443 -6.268 -7.967 1.00 15.97 N ATOM 828 CA VAL A 91 1.263 -6.366 -9.160 1.00 15.03 C ATOM 829 C VAL A 91 1.316 -5.000 -9.872 1.00 12.08 C ATOM 830 O VAL A 91 0.284 -4.389 -10.083 1.00 12.77 O ATOM 831 CB VAL A 91 0.686 -7.398 -10.145 1.00 16.20 C ATOM 832 CG1 VAL A 91 1.564 -7.522 -11.401 1.00 16.70 C ATOM 833 CG2 VAL A 91 0.515 -8.780 -9.474 1.00 21.63 C ATOM 834 H VAL A 91 -0.590 -6.271 -8.087 1.00 0.00 H ATOM 835 N LEU A 92 2.539 -4.552 -10.191 1.00 11.66 N ATOM 836 CA LEU A 92 2.676 -3.377 -11.027 1.00 10.94 C ATOM 837 C LEU A 92 2.465 -3.771 -12.464 1.00 9.66 C ATOM 838 O LEU A 92 3.234 -4.587 -12.972 1.00 11.13 O ATOM 839 CB LEU A 92 4.029 -2.663 -10.865 1.00 13.35 C ATOM 840 CG LEU A 92 4.305 -1.855 -9.642 1.00 15.66 C ATOM 841 CD1 LEU A 92 5.835 -1.568 -9.533 1.00 16.37 C ATOM 842 CD2 LEU A 92 3.566 -0.522 -9.714 1.00 17.13 C ATOM 843 H LEU A 92 3.385 -5.045 -9.840 1.00 0.00 H ATOM 844 N VAL A 93 1.416 -3.246 -13.105 1.00 10.08 N ATOM 845 CA VAL A 93 1.093 -3.577 -14.480 1.00 9.93 C ATOM 846 C VAL A 93 1.379 -2.385 -15.354 1.00 10.64 C ATOM 847 O VAL A 93 0.781 -1.330 -15.191 1.00 12.06 O ATOM 848 CB VAL A 93 -0.394 -3.985 -14.577 1.00 11.68 C ATOM 849 CG1 VAL A 93 -0.745 -4.406 -16.009 1.00 14.10 C ATOM 850 CG2 VAL A 93 -0.746 -5.105 -13.566 1.00 13.32 C ATOM 851 H VAL A 93 0.807 -2.573 -12.597 1.00 0.00 H ATOM 852 N HIS A 94 2.269 -2.581 -16.303 1.00 9.72 N ATOM 853 CA HIS A 94 2.753 -1.546 -17.196 1.00 9.53 C ATOM 854 C HIS A 94 2.389 -1.898 -18.635 1.00 8.82 C ATOM 855 O HIS A 94 2.852 -2.902 -19.159 1.00 11.00 O ATOM 856 CB HIS A 94 4.279 -1.492 -17.027 1.00 9.80 C ATOM 857 CG HIS A 94 5.011 -0.483 -17.863 1.00 9.89 C ATOM 858 ND1 HIS A 94 6.377 -0.355 -17.766 1.00 11.49 N ATOM 859 CD2 HIS A 94 4.601 0.442 -18.785 1.00 10.89 C ATOM 860 CE1 HIS A 94 6.786 0.590 -18.614 1.00 11.97 C ATOM 861 NE2 HIS A 94 5.718 1.103 -19.236 1.00 11.32 N ATOM 862 H HIS A 94 2.650 -3.541 -16.420 1.00 0.00 H ATOM 863 N VAL A 95 1.528 -1.077 -19.262 1.00 9.01 N ATOM 864 CA VAL A 95 1.249 -1.259 -20.665 1.00 8.95 C ATOM 865 C VAL A 95 1.928 -0.162 -21.483 1.00 8.99 C ATOM 866 O VAL A 95 1.907 1.007 -21.064 1.00 10.23 O ATOM 867 CB VAL A 95 -0.254 -1.323 -20.936 1.00 9.97 C ATOM 868 CG1 VAL A 95 -0.985 -0.041 -20.517 1.00 12.45 C ATOM 869 CG2 VAL A 95 -0.489 -1.694 -22.377 1.00 12.09 C ATOM 870 H VAL A 95 1.063 -0.310 -18.735 1.00 0.00 H ATOM 871 N GLN A 96 2.601 -0.582 -22.551 1.00 9.68 N ATOM 872 CA GLN A 96 3.219 0.321 -23.531 1.00 9.70 C ATOM 873 C GLN A 96 2.412 0.214 -24.840 1.00 9.72 C ATOM 874 O GLN A 96 2.200 -0.886 -25.313 1.00 10.40 O ATOM 875 CB GLN A 96 4.648 -0.064 -23.795 1.00 10.07 C ATOM 876 CG GLN A 96 5.586 0.034 -22.596 1.00 10.16 C ATOM 877 CD GLN A 96 6.981 -0.429 -22.884 1.00 9.82 C ATOM 878 OE1 GLN A 96 7.178 -1.264 -23.777 1.00 11.16 O ATOM 879 NE2 GLN A 96 7.957 0.094 -22.122 1.00 11.02 N ATOM 880 HE22 GLN A 96 7.725 0.793 -21.387 1.00 0.00 H ATOM 881 HE21 GLN A 96 8.944 -0.200 -22.267 1.00 0.00 H ATOM 882 H GLN A 96 2.695 -1.607 -22.700 1.00 0.00 H ATOM 883 N LYS A 97 2.034 1.360 -25.401 1.00 10.45 N ATOM 884 CA LYS A 97 1.227 1.371 -26.627 1.00 11.48 C ATOM 885 C LYS A 97 1.893 2.246 -27.658 1.00 10.60 C ATOM 886 O LYS A 97 2.321 3.362 -27.352 1.00 12.66 O ATOM 887 CB LYS A 97 -0.196 1.900 -26.345 1.00 11.47 C ATOM 888 CG LYS A 97 -0.962 1.043 -25.339 1.00 12.83 C ATOM 889 CD LYS A 97 -2.419 1.417 -25.191 1.00 14.85 C ATOM 890 CE LYS A 97 -3.095 0.580 -24.134 1.00 15.41 C ATOM 891 NZ LYS A 97 -4.568 0.861 -24.114 1.00 18.89 N ATOM 892 HZ1 LYS A 97 -4.725 1.867 -23.904 1.00 0.00 H ATOM 893 HZ2 LYS A 97 -4.976 0.632 -25.043 1.00 0.00 H ATOM 894 HZ3 LYS A 97 -5.021 0.278 -23.382 1.00 0.00 H ATOM 895 H LYS A 97 2.315 2.261 -24.964 1.00 0.00 H ATOM 896 N TRP A 98 2.015 1.731 -28.895 1.00 10.58 N ATOM 897 CA TRP A 98 2.629 2.481 -29.969 1.00 12.06 C ATOM 898 C TRP A 98 2.172 1.819 -31.266 1.00 13.20 C ATOM 899 O TRP A 98 2.102 0.600 -31.356 1.00 13.48 O ATOM 900 CB TRP A 98 4.186 2.500 -29.833 1.00 12.72 C ATOM 901 CG TRP A 98 4.879 1.211 -30.205 1.00 12.09 C ATOM 902 CD1 TRP A 98 5.623 0.984 -31.334 1.00 12.95 C ATOM 903 CD2 TRP A 98 4.830 -0.058 -29.520 1.00 11.14 C ATOM 904 NE1 TRP A 98 6.066 -0.300 -31.363 1.00 12.31 N ATOM 905 CE2 TRP A 98 5.585 -0.976 -30.291 1.00 11.57 C ATOM 906 CE3 TRP A 98 4.246 -0.501 -28.320 1.00 12.09 C ATOM 907 CZ2 TRP A 98 5.762 -2.276 -29.905 1.00 11.87 C ATOM 908 CZ3 TRP A 98 4.417 -1.822 -27.951 1.00 12.36 C ATOM 909 CH2 TRP A 98 5.162 -2.698 -28.743 1.00 12.30 C ATOM 910 HE1 TRP A 98 6.682 -0.704 -32.097 1.00 0.00 H ATOM 911 H TRP A 98 1.660 0.772 -29.083 1.00 0.00 H ATOM 912 N ASP A 99 1.897 2.623 -32.303 1.00 14.90 N ATOM 913 CA ASP A 99 1.585 2.101 -33.634 1.00 16.07 C ATOM 914 C ASP A 99 0.544 0.986 -33.640 1.00 15.53 C ATOM 915 O ASP A 99 0.675 -0.006 -34.426 1.00 19.22 O ATOM 916 CB ASP A 99 2.877 1.672 -34.318 1.00 16.19 C ATOM 917 CG ASP A 99 3.758 2.821 -34.627 1.00 19.47 C ATOM 918 OD1 ASP A 99 3.274 3.974 -34.752 1.00 22.11 O ATOM 919 OD2 ASP A 99 4.938 2.574 -34.788 1.00 22.63 O ATOM 920 H ASP A 99 1.906 3.653 -32.157 1.00 0.00 H ATOM 921 N GLY A 100 -0.503 1.159 -32.833 1.00 17.73 N ATOM 922 CA GLY A 100 -1.624 0.184 -32.807 1.00 18.81 C ATOM 923 C GLY A 100 -1.284 -1.120 -32.073 1.00 15.57 C ATOM 924 O GLY A 100 -2.103 -2.026 -31.999 1.00 19.16 O ATOM 925 H GLY A 100 -0.536 1.991 -32.210 1.00 0.00 H ATOM 926 N LYS A 101 -0.065 -1.196 -31.514 1.00 15.32 N ATOM 927 CA LYS A 101 0.460 -2.360 -30.812 1.00 13.66 C ATOM 928 C LYS A 101 0.487 -2.083 -29.327 1.00 13.31 C ATOM 929 O LYS A 101 0.447 -0.932 -28.887 1.00 12.49 O ATOM 930 CB LYS A 101 1.872 -2.653 -31.268 1.00 15.13 C ATOM 931 CG LYS A 101 1.940 -3.024 -32.753 1.00 18.87 C ATOM 932 CD LYS A 101 3.349 -3.319 -33.185 1.00 25.35 C ATOM 933 CE LYS A 101 3.941 -2.198 -33.943 1.00 26.56 C ATOM 934 NZ LYS A 101 5.283 -2.615 -34.453 1.00 26.96 N ATOM 935 HZ1 LYS A 101 5.897 -2.861 -33.650 1.00 0.00 H ATOM 936 HZ2 LYS A 101 5.175 -3.442 -35.074 1.00 0.00 H ATOM 937 HZ3 LYS A 101 5.708 -1.831 -34.989 1.00 0.00 H ATOM 938 H LYS A 101 0.551 -0.361 -31.588 1.00 0.00 H ATOM 939 N SER A 102 0.569 -3.156 -28.552 1.00 11.70 N ATOM 940 CA SER A 102 0.641 -3.050 -27.104 1.00 12.32 C ATOM 941 C SER A 102 1.543 -4.161 -26.584 1.00 12.12 C ATOM 942 O SER A 102 1.503 -5.249 -27.121 1.00 14.31 O ATOM 943 CB SER A 102 -0.796 -3.261 -26.589 1.00 15.64 C ATOM 944 OG SER A 102 -0.935 -3.054 -25.215 1.00 23.91 O ATOM 945 HG SER A 102 -0.350 -3.686 -24.726 1.00 0.00 H ATOM 946 H SER A 102 0.582 -4.098 -28.992 1.00 0.00 H ATOM 947 N THR A 103 2.271 -3.882 -25.506 1.00 10.82 N ATOM 948 CA THR A 103 2.941 -4.903 -24.732 1.00 9.16 C ATOM 949 C THR A 103 2.688 -4.618 -23.266 1.00 9.16 C ATOM 950 O THR A 103 2.627 -3.458 -22.856 1.00 9.94 O ATOM 951 CB THR A 103 4.446 -4.969 -25.080 1.00 10.37 C ATOM 952 OG1 THR A 103 5.075 -6.042 -24.351 1.00 11.72 O ATOM 953 CG2 THR A 103 5.232 -3.729 -24.741 1.00 11.06 C ATOM 954 HG1 THR A 103 4.646 -6.901 -24.594 1.00 0.00 H ATOM 955 H THR A 103 2.362 -2.890 -25.208 1.00 0.00 H ATOM 956 N THR A 104 2.541 -5.678 -22.485 1.00 9.16 N ATOM 957 CA THR A 104 2.329 -5.569 -21.052 1.00 9.75 C ATOM 958 C THR A 104 3.471 -6.201 -20.305 1.00 9.70 C ATOM 959 O THR A 104 3.854 -7.316 -20.588 1.00 11.00 O ATOM 960 CB THR A 104 0.979 -6.199 -20.653 1.00 11.49 C ATOM 961 OG1 THR A 104 -0.085 -5.507 -21.318 1.00 14.78 O ATOM 962 CG2 THR A 104 0.726 -6.126 -19.224 1.00 13.20 C ATOM 963 HG1 THR A 104 0.037 -5.580 -22.298 1.00 0.00 H ATOM 964 H THR A 104 2.579 -6.625 -22.914 1.00 0.00 H ATOM 965 N ILE A 105 3.939 -5.447 -19.297 1.00 9.11 N ATOM 966 CA ILE A 105 5.057 -5.828 -18.428 1.00 9.37 C ATOM 967 C ILE A 105 4.511 -5.839 -17.000 1.00 9.41 C ATOM 968 O ILE A 105 4.082 -4.793 -16.518 1.00 10.60 O ATOM 969 CB ILE A 105 6.255 -4.856 -18.552 1.00 10.30 C ATOM 970 CG1 ILE A 105 6.706 -4.731 -20.017 1.00 11.54 C ATOM 971 CG2 ILE A 105 7.362 -5.296 -17.627 1.00 12.21 C ATOM 972 CD1 ILE A 105 6.712 -3.273 -20.471 1.00 19.42 C ATOM 973 H ILE A 105 3.478 -4.532 -19.121 1.00 0.00 H ATOM 974 N LYS A 106 4.448 -6.988 -16.380 1.00 9.33 N ATOM 975 CA LYS A 106 3.983 -7.138 -15.022 1.00 10.10 C ATOM 976 C LYS A 106 5.156 -7.365 -14.147 1.00 10.53 C ATOM 977 O LYS A 106 5.992 -8.219 -14.405 1.00 14.26 O ATOM 978 CB LYS A 106 2.999 -8.299 -14.913 1.00 11.27 C ATOM 979 CG LYS A 106 1.709 -8.047 -15.600 1.00 13.46 C ATOM 980 CD LYS A 106 0.756 -9.196 -15.464 1.00 18.55 C ATOM 981 CE LYS A 106 -0.580 -8.917 -16.162 1.00 20.66 C ATOM 982 NZ LYS A 106 -1.547 -10.004 -15.996 1.00 32.16 N ATOM 983 HZ1 LYS A 106 -1.155 -10.879 -16.398 1.00 0.00 H ATOM 984 HZ2 LYS A 106 -1.740 -10.143 -14.984 1.00 0.00 H ATOM 985 HZ3 LYS A 106 -2.430 -9.759 -16.489 1.00 0.00 H ATOM 986 H LYS A 106 4.749 -7.841 -16.893 1.00 0.00 H ATOM 987 N ARG A 107 5.258 -6.630 -13.052 1.00 10.44 N ATOM 988 CA ARG A 107 6.333 -6.719 -12.071 1.00 11.60 C ATOM 989 C ARG A 107 5.705 -7.101 -10.757 1.00 12.59 C ATOM 990 O ARG A 107 4.812 -6.376 -10.278 1.00 13.37 O ATOM 991 CB ARG A 107 7.145 -5.420 -11.970 1.00 12.55 C ATOM 992 CG ARG A 107 7.814 -5.008 -13.328 1.00 12.62 C ATOM 993 CD ARG A 107 8.478 -3.638 -13.264 1.00 15.12 C ATOM 994 NE ARG A 107 9.208 -3.223 -14.525 1.00 14.75 N ATOM 995 CZ ARG A 107 8.699 -2.423 -15.457 1.00 13.08 C ATOM 996 NH1 ARG A 107 7.495 -1.924 -15.430 1.00 13.89 N ATOM 997 NH2 ARG A 107 9.492 -2.087 -16.482 1.00 16.82 N ATOM 998 HE ARG A 107 10.171 -3.588 -14.671 1.00 0.00 H ATOM 999 HH12 ARG A 107 7.171 -1.305 -16.200 1.00 0.00 H ATOM 1000 HH11 ARG A 107 6.858 -2.145 -14.638 1.00 0.00 H ATOM 1001 HH22 ARG A 107 9.134 -1.463 -17.233 1.00 0.00 H ATOM 1002 HH21 ARG A 107 10.466 -2.450 -16.527 1.00 0.00 H ATOM 1003 H ARG A 107 4.509 -5.930 -12.876 1.00 0.00 H ATOM 1004 N LYS A 108 6.136 -8.215 -10.186 1.00 12.69 N ATOM 1005 CA LYS A 108 5.503 -8.780 -8.979 1.00 14.76 C ATOM 1006 C LYS A 108 6.577 -9.242 -8.016 1.00 14.24 C ATOM 1007 O LYS A 108 7.652 -9.682 -8.394 1.00 15.58 O ATOM 1008 CB LYS A 108 4.539 -9.916 -9.291 1.00 20.40 C ATOM 1009 CG LYS A 108 5.096 -11.133 -9.937 1.00 28.60 C ATOM 1010 CD LYS A 108 3.953 -11.978 -10.513 1.00 36.63 C ATOM 1011 CE LYS A 108 4.389 -13.375 -10.954 1.00 44.76 C ATOM 1012 NZ LYS A 108 3.218 -14.302 -10.959 1.00 59.42 N ATOM 1013 HZ1 LYS A 108 2.816 -14.356 -10.001 1.00 0.00 H ATOM 1014 HZ2 LYS A 108 2.498 -13.945 -11.619 1.00 0.00 H ATOM 1015 HZ3 LYS A 108 3.528 -15.248 -11.260 1.00 0.00 H ATOM 1016 H LYS A 108 6.950 -8.710 -10.603 1.00 0.00 H ATOM 1017 N ARG A 109 6.254 -9.187 -6.745 1.00 18.93 N ATOM 1018 CA ARG A 109 7.087 -9.695 -5.701 1.00 19.74 C ATOM 1019 C ARG A 109 6.605 -11.111 -5.375 1.00 21.98 C ATOM 1020 O ARG A 109 5.403 -11.356 -5.194 1.00 27.01 O ATOM 1021 CB ARG A 109 7.002 -8.791 -4.460 1.00 23.89 C ATOM 1022 CG ARG A 109 7.719 -7.475 -4.742 1.00 27.59 C ATOM 1023 CD ARG A 109 9.233 -7.622 -4.548 1.00 25.81 C ATOM 1024 NE ARG A 109 9.478 -7.666 -3.102 1.00 25.78 N ATOM 1025 CZ ARG A 109 9.816 -8.748 -2.431 1.00 24.19 C ATOM 1026 NH1 ARG A 109 10.057 -9.901 -3.041 1.00 28.76 N ATOM 1027 NH2 ARG A 109 9.895 -8.662 -1.112 1.00 32.80 N ATOM 1028 HE ARG A 109 9.378 -6.779 -2.568 1.00 0.00 H ATOM 1029 HH12 ARG A 109 10.322 -10.738 -2.484 1.00 0.00 H ATOM 1030 HH11 ARG A 109 9.981 -9.968 -4.076 1.00 0.00 H ATOM 1031 HH22 ARG A 109 10.159 -9.497 -0.551 1.00 0.00 H ATOM 1032 HH21 ARG A 109 9.693 -7.759 -0.637 1.00 0.00 H ATOM 1033 H ARG A 109 5.346 -8.752 -6.485 1.00 0.00 H ATOM 1034 N GLU A 110 7.544 -12.057 -5.383 1.00 22.47 N ATOM 1035 CA GLU A 110 7.277 -13.467 -5.127 1.00 25.85 C ATOM 1036 C GLU A 110 8.385 -14.007 -4.251 1.00 26.99 C ATOM 1037 O GLU A 110 9.522 -14.101 -4.687 1.00 27.61 O ATOM 1038 CB GLU A 110 7.308 -14.232 -6.427 1.00 38.31 C ATOM 1039 CG GLU A 110 7.219 -15.744 -6.347 1.00 41.07 C ATOM 1040 CD GLU A 110 7.169 -16.344 -7.752 1.00 45.07 C ATOM 1041 OE1 GLU A 110 6.197 -16.046 -8.477 1.00 54.27 O ATOM 1042 OE2 GLU A 110 8.117 -17.076 -8.137 1.00 54.00 O ATOM 1043 H GLU A 110 8.524 -11.773 -5.584 1.00 0.00 H ATOM 1044 N ASP A 111 8.035 -14.414 -3.037 1.00 28.23 N ATOM 1045 CA ASP A 111 9.002 -14.763 -2.016 1.00 28.91 C ATOM 1046 C ASP A 111 10.003 -13.605 -1.929 1.00 33.11 C ATOM 1047 O ASP A 111 9.603 -12.445 -1.737 1.00 30.10 O ATOM 1048 CB ASP A 111 9.664 -16.101 -2.333 1.00 29.68 C ATOM 1049 CG ASP A 111 8.703 -17.269 -2.279 1.00 34.25 C ATOM 1050 OD1 ASP A 111 7.554 -17.099 -1.813 1.00 40.95 O ATOM 1051 OD2 ASP A 111 9.101 -18.365 -2.733 1.00 54.57 O ATOM 1052 H ASP A 111 7.023 -14.485 -2.809 1.00 0.00 H ATOM 1053 N ASP A 112 11.293 -13.878 -2.033 1.00 28.73 N ATOM 1054 CA ASP A 112 12.301 -12.784 -1.903 1.00 26.88 C ATOM 1055 C ASP A 112 12.758 -12.284 -3.300 1.00 21.90 C ATOM 1056 O ASP A 112 13.778 -11.640 -3.393 1.00 26.84 O ATOM 1057 CB ASP A 112 13.484 -13.176 -1.001 1.00 38.63 C ATOM 1058 CG ASP A 112 14.045 -14.504 -1.347 1.00 33.16 C ATOM 1059 OD1 ASP A 112 13.513 -15.176 -2.246 1.00 43.56 O ATOM 1060 OD2 ASP A 112 15.045 -14.877 -0.713 1.00 38.77 O ATOM 1061 H ASP A 112 11.605 -14.855 -2.205 1.00 0.00 H ATOM 1062 N LYS A 113 11.995 -12.633 -4.348 1.00 25.44 N ATOM 1063 CA LYS A 113 12.323 -12.319 -5.729 1.00 20.87 C ATOM 1064 C LYS A 113 11.400 -11.264 -6.279 1.00 18.43 C ATOM 1065 O LYS A 113 10.275 -11.026 -5.784 1.00 20.77 O ATOM 1066 CB LYS A 113 12.196 -13.571 -6.612 1.00 23.68 C ATOM 1067 CG LYS A 113 12.993 -14.813 -6.207 1.00 30.94 C ATOM 1068 CD LYS A 113 12.495 -16.041 -6.967 1.00 33.72 C ATOM 1069 CE LYS A 113 13.123 -17.360 -6.455 1.00 40.81 C ATOM 1070 NZ LYS A 113 12.806 -18.534 -7.314 1.00 48.65 N ATOM 1071 HZ1 LYS A 113 11.775 -18.669 -7.348 1.00 0.00 H ATOM 1072 HZ2 LYS A 113 13.167 -18.366 -8.275 1.00 0.00 H ATOM 1073 HZ3 LYS A 113 13.255 -19.384 -6.917 1.00 0.00 H ATOM 1074 H LYS A 113 11.118 -13.159 -4.161 1.00 0.00 H ATOM 1075 N LEU A 114 11.855 -10.632 -7.353 1.00 13.92 N ATOM 1076 CA LEU A 114 11.019 -9.752 -8.171 1.00 12.33 C ATOM 1077 C LEU A 114 10.914 -10.418 -9.536 1.00 11.25 C ATOM 1078 O LEU A 114 11.950 -10.742 -10.122 1.00 12.18 O ATOM 1079 CB LEU A 114 11.682 -8.385 -8.272 1.00 12.81 C ATOM 1080 CG LEU A 114 10.987 -7.386 -9.189 1.00 14.60 C ATOM 1081 CD1 LEU A 114 9.772 -6.842 -8.460 1.00 19.70 C ATOM 1082 CD2 LEU A 114 11.940 -6.276 -9.610 1.00 17.30 C ATOM 1083 H LEU A 114 12.849 -10.768 -7.626 1.00 0.00 H ATOM 1084 N VAL A 115 9.703 -10.704 -9.970 1.00 11.30 N ATOM 1085 CA VAL A 115 9.518 -11.444 -11.214 1.00 11.68 C ATOM 1086 C VAL A 115 8.849 -10.514 -12.188 1.00 11.73 C ATOM 1087 O VAL A 115 7.885 -9.810 -11.857 1.00 13.70 O ATOM 1088 CB VAL A 115 8.653 -12.698 -10.980 1.00 14.16 C ATOM 1089 CG1 VAL A 115 8.359 -13.457 -12.292 1.00 18.49 C ATOM 1090 CG2 VAL A 115 9.247 -13.572 -9.875 1.00 17.64 C ATOM 1091 H VAL A 115 8.873 -10.400 -9.422 1.00 0.00 H ATOM 1092 N VAL A 116 9.371 -10.496 -13.399 1.00 11.15 N ATOM 1093 CA VAL A 116 8.902 -9.627 -14.457 1.00 10.65 C ATOM 1094 C VAL A 116 8.386 -10.487 -15.566 1.00 9.69 C ATOM 1095 O VAL A 116 9.152 -11.321 -16.094 1.00 12.56 O ATOM 1096 CB VAL A 116 10.019 -8.680 -14.945 1.00 11.39 C ATOM 1097 CG1 VAL A 116 9.518 -7.767 -16.031 1.00 12.88 C ATOM 1098 CG2 VAL A 116 10.550 -7.884 -13.754 1.00 13.97 C ATOM 1099 H VAL A 116 10.161 -11.140 -13.604 1.00 0.00 H ATOM 1100 N GLU A 117 7.131 -10.334 -15.939 1.00 9.78 N ATOM 1101 CA GLU A 117 6.525 -11.097 -17.035 1.00 10.42 C ATOM 1102 C GLU A 117 6.224 -10.107 -18.148 1.00 9.75 C ATOM 1103 O GLU A 117 5.476 -9.171 -17.932 1.00 10.84 O ATOM 1104 CB GLU A 117 5.239 -11.754 -16.602 1.00 11.51 C ATOM 1105 CG GLU A 117 4.614 -12.546 -17.735 1.00 16.46 C ATOM 1106 CD GLU A 117 3.178 -12.883 -17.453 1.00 22.70 C ATOM 1107 OE1 GLU A 117 2.307 -11.956 -17.511 1.00 23.66 O ATOM 1108 OE2 GLU A 117 2.960 -14.076 -17.145 1.00 34.02 O ATOM 1109 H GLU A 117 6.544 -9.641 -15.433 1.00 0.00 H ATOM 1110 N CYS A 118 6.720 -10.373 -19.353 1.00 9.47 N ATOM 1111 CA CYS A 118 6.671 -9.476 -20.517 1.00 10.62 C ATOM 1112 C CYS A 118 5.873 -10.227 -21.576 1.00 9.68 C ATOM 1113 O CYS A 118 6.306 -11.284 -21.988 1.00 11.42 O ATOM 1114 CB CYS A 118 8.119 -9.245 -21.051 1.00 10.74 C ATOM 1115 SG CYS A 118 9.238 -8.709 -19.695 1.00 11.45 S ATOM 1116 H CYS A 118 7.183 -11.295 -19.483 1.00 0.00 H ATOM 1117 N VAL A 119 4.796 -9.626 -22.087 1.00 9.42 N ATOM 1118 CA VAL A 119 3.980 -10.290 -23.113 1.00 10.00 C ATOM 1119 C VAL A 119 3.894 -9.445 -24.323 1.00 9.70 C ATOM 1120 O VAL A 119 3.574 -8.261 -24.236 1.00 10.63 O ATOM 1121 CB VAL A 119 2.573 -10.579 -22.553 1.00 12.02 C ATOM 1122 CG1 VAL A 119 1.634 -11.067 -23.669 1.00 15.09 C ATOM 1123 CG2 VAL A 119 2.636 -11.612 -21.447 1.00 12.62 C ATOM 1124 H VAL A 119 4.531 -8.677 -21.755 1.00 0.00 H ATOM 1125 N MET A 120 4.146 -10.034 -25.483 1.00 11.42 N ATOM 1126 CA MET A 120 3.903 -9.361 -26.792 1.00 11.84 C ATOM 1127 C MET A 120 3.267 -10.424 -27.685 1.00 11.80 C ATOM 1128 O MET A 120 3.885 -11.446 -27.960 1.00 12.05 O ATOM 1129 CB MET A 120 5.218 -8.902 -27.413 1.00 11.93 C ATOM 1130 CG MET A 120 5.039 -8.257 -28.779 1.00 12.92 C ATOM 1131 SD MET A 120 4.118 -6.713 -28.609 1.00 15.71 S ATOM 1132 CE MET A 120 3.938 -6.229 -30.344 1.00 16.33 C ATOM 1133 H MET A 120 4.527 -11.002 -25.481 1.00 0.00 H ATOM 1134 N LYS A 121 2.011 -10.215 -28.069 1.00 14.26 N ATOM 1135 CA LYS A 121 1.291 -11.198 -28.893 1.00 14.50 C ATOM 1136 C LYS A 121 1.375 -12.591 -28.224 1.00 13.27 C ATOM 1137 O LYS A 121 0.976 -12.727 -27.066 1.00 14.93 O ATOM 1138 CB LYS A 121 1.777 -11.160 -30.341 1.00 16.49 C ATOM 1139 CG LYS A 121 1.551 -9.845 -30.995 1.00 20.22 C ATOM 1140 CD LYS A 121 2.218 -9.755 -32.380 1.00 27.87 C ATOM 1141 CE LYS A 121 1.888 -8.506 -33.139 1.00 37.29 C ATOM 1142 NZ LYS A 121 2.621 -8.541 -34.424 1.00 50.57 N ATOM 1143 HZ1 LYS A 121 3.643 -8.588 -34.238 1.00 0.00 H ATOM 1144 HZ2 LYS A 121 2.328 -9.378 -34.966 1.00 0.00 H ATOM 1145 HZ3 LYS A 121 2.406 -7.681 -34.968 1.00 0.00 H ATOM 1146 H LYS A 121 1.529 -9.340 -27.781 1.00 0.00 H ATOM 1147 N GLY A 122 1.816 -13.633 -28.914 1.00 13.60 N ATOM 1148 CA GLY A 122 1.882 -14.943 -28.344 1.00 14.44 C ATOM 1149 C GLY A 122 3.086 -15.268 -27.532 1.00 13.38 C ATOM 1150 O GLY A 122 3.232 -16.389 -27.072 1.00 15.61 O ATOM 1151 H GLY A 122 2.123 -13.494 -29.898 1.00 0.00 H ATOM 1152 N VAL A 123 4.007 -14.304 -27.356 1.00 13.10 N ATOM 1153 CA VAL A 123 5.256 -14.534 -26.652 1.00 12.63 C ATOM 1154 C VAL A 123 5.189 -14.028 -25.247 1.00 11.54 C ATOM 1155 O VAL A 123 4.731 -12.924 -24.981 1.00 14.22 O ATOM 1156 CB VAL A 123 6.433 -13.902 -27.406 1.00 14.75 C ATOM 1157 CG1 VAL A 123 7.712 -14.113 -26.598 1.00 18.98 C ATOM 1158 CG2 VAL A 123 6.549 -14.463 -28.826 1.00 20.02 C ATOM 1159 H VAL A 123 3.817 -13.356 -27.739 1.00 0.00 H ATOM 1160 N THR A 124 5.617 -14.886 -24.316 1.00 11.46 N ATOM 1161 CA THR A 124 5.675 -14.506 -22.893 1.00 11.33 C ATOM 1162 C THR A 124 7.113 -14.758 -22.411 1.00 11.34 C ATOM 1163 O THR A 124 7.641 -15.873 -22.526 1.00 15.44 O ATOM 1164 CB THR A 124 4.692 -15.334 -22.022 1.00 13.08 C ATOM 1165 OG1 THR A 124 3.356 -15.254 -22.484 1.00 15.10 O ATOM 1166 CG2 THR A 124 4.739 -14.822 -20.563 1.00 14.63 C ATOM 1167 HG1 THR A 124 3.307 -15.599 -23.411 1.00 0.00 H ATOM 1168 H THR A 124 5.915 -15.841 -24.601 1.00 0.00 H ATOM 1169 N SER A 125 7.768 -13.725 -21.887 1.00 9.64 N ATOM 1170 CA SER A 125 9.091 -13.824 -21.307 1.00 9.56 C ATOM 1171 C SER A 125 9.022 -13.581 -19.813 1.00 9.23 C ATOM 1172 O SER A 125 8.286 -12.696 -19.360 1.00 11.14 O ATOM 1173 CB SER A 125 10.037 -12.829 -21.968 1.00 9.87 C ATOM 1174 OG SER A 125 11.304 -12.732 -21.386 1.00 10.49 O ATOM 1175 HG SER A 125 11.752 -13.614 -21.424 1.00 0.00 H ATOM 1176 H SER A 125 7.304 -12.794 -21.894 1.00 0.00 H ATOM 1177 N THR A 126 9.796 -14.356 -19.049 1.00 9.50 N ATOM 1178 CA THR A 126 9.827 -14.247 -17.609 1.00 10.34 C ATOM 1179 C THR A 126 11.260 -13.970 -17.172 1.00 9.76 C ATOM 1180 O THR A 126 12.143 -14.785 -17.501 1.00 11.30 O ATOM 1181 CB THR A 126 9.282 -15.525 -16.973 1.00 12.94 C ATOM 1182 OG1 THR A 126 7.973 -15.746 -17.426 1.00 14.77 O ATOM 1183 CG2 THR A 126 9.283 -15.394 -15.433 1.00 17.70 C ATOM 1184 HG1 THR A 126 7.978 -15.841 -18.411 1.00 0.00 H ATOM 1185 H THR A 126 10.400 -15.066 -19.509 1.00 0.00 H ATOM 1186 N ARG A 127 11.460 -12.923 -16.389 1.00 9.93 N ATOM 1187 CA ARG A 127 12.759 -12.496 -15.901 1.00 10.10 C ATOM 1188 C ARG A 127 12.691 -12.405 -14.390 1.00 9.95 C ATOM 1189 O ARG A 127 11.747 -11.842 -13.856 1.00 13.05 O ATOM 1190 CB ARG A 127 13.142 -11.150 -16.537 1.00 11.81 C ATOM 1191 CG ARG A 127 13.370 -11.341 -18.033 1.00 13.85 C ATOM 1192 CD ARG A 127 13.223 -10.118 -18.859 1.00 16.38 C ATOM 1193 NE ARG A 127 14.201 -9.088 -18.685 1.00 15.55 N ATOM 1194 CZ ARG A 127 15.447 -9.083 -19.189 1.00 14.44 C ATOM 1195 NH1 ARG A 127 15.943 -10.126 -19.804 1.00 14.51 N ATOM 1196 NH2 ARG A 127 16.241 -8.007 -19.078 1.00 18.58 N ATOM 1197 HE ARG A 127 13.921 -8.265 -18.114 1.00 0.00 H ATOM 1198 HH12 ARG A 127 16.910 -10.094 -20.184 1.00 0.00 H ATOM 1199 HH11 ARG A 127 15.370 -10.987 -19.913 1.00 0.00 H ATOM 1200 HH22 ARG A 127 17.202 -8.026 -19.476 1.00 0.00 H ATOM 1201 HH21 ARG A 127 15.896 -7.154 -18.594 1.00 0.00 H ATOM 1202 H ARG A 127 10.629 -12.367 -16.103 1.00 0.00 H ATOM 1203 N VAL A 128 13.669 -12.993 -13.718 1.00 10.20 N ATOM 1204 CA VAL A 128 13.662 -13.054 -12.269 1.00 10.08 C ATOM 1205 C VAL A 128 14.863 -12.309 -11.757 1.00 9.92 C ATOM 1206 O VAL A 128 15.981 -12.507 -12.243 1.00 10.39 O ATOM 1207 CB VAL A 128 13.654 -14.504 -11.745 1.00 11.88 C ATOM 1208 CG1 VAL A 128 13.659 -14.539 -10.212 1.00 15.27 C ATOM 1209 CG2 VAL A 128 12.462 -15.269 -12.287 1.00 15.08 C ATOM 1210 H VAL A 128 14.460 -13.421 -14.241 1.00 0.00 H ATOM 1211 N TYR A 129 14.622 -11.512 -10.706 1.00 10.18 N ATOM 1212 CA TYR A 129 15.651 -10.704 -10.067 1.00 9.97 C ATOM 1213 C TYR A 129 15.687 -11.075 -8.595 1.00 11.42 C ATOM 1214 O TYR A 129 14.644 -11.355 -7.964 1.00 12.86 O ATOM 1215 CB TYR A 129 15.291 -9.212 -10.180 1.00 10.59 C ATOM 1216 CG TYR A 129 15.198 -8.653 -11.551 1.00 10.00 C ATOM 1217 CD1 TYR A 129 14.157 -9.002 -12.397 1.00 11.50 C ATOM 1218 CD2 TYR A 129 16.176 -7.795 -12.033 1.00 11.03 C ATOM 1219 CE1 TYR A 129 14.107 -8.488 -13.688 1.00 11.52 C ATOM 1220 CE2 TYR A 129 16.118 -7.278 -13.323 1.00 11.91 C ATOM 1221 CZ TYR A 129 15.057 -7.645 -14.137 1.00 12.67 C ATOM 1222 OH TYR A 129 14.943 -7.213 -15.440 1.00 16.41 O ATOM 1223 HH TYR A 129 14.898 -6.224 -15.456 1.00 0.00 H ATOM 1224 H TYR A 129 13.654 -11.469 -10.329 1.00 0.00 H ATOM 1225 N GLU A 130 16.901 -10.962 -8.044 1.00 10.97 N ATOM 1226 CA GLU A 130 17.078 -11.112 -6.601 1.00 12.40 C ATOM 1227 C GLU A 130 17.705 -9.859 -6.036 1.00 11.14 C ATOM 1228 O GLU A 130 18.221 -9.034 -6.735 1.00 13.13 O ATOM 1229 CB GLU A 130 17.839 -12.364 -6.266 1.00 18.09 C ATOM 1230 CG GLU A 130 16.917 -13.593 -6.582 1.00 20.48 C ATOM 1231 CD GLU A 130 17.395 -14.959 -6.089 1.00 25.90 C ATOM 1232 OE1 GLU A 130 18.399 -15.044 -5.326 1.00 34.40 O ATOM 1233 OE2 GLU A 130 16.751 -15.954 -6.514 1.00 27.18 O ATOM 1234 H GLU A 130 17.725 -10.766 -8.647 1.00 0.00 H ATOM 1235 N ARG A 131 17.548 -9.640 -4.734 1.00 12.58 N ATOM 1236 CA ARG A 131 18.078 -8.443 -4.102 1.00 14.50 C ATOM 1237 C ARG A 131 19.554 -8.396 -4.230 1.00 14.56 C ATOM 1238 O ARG A 131 20.235 -9.405 -4.004 1.00 16.18 O ATOM 1239 CB ARG A 131 17.667 -8.332 -2.631 1.00 18.11 C ATOM 1240 CG ARG A 131 16.270 -7.785 -2.403 1.00 20.09 C ATOM 1241 CD ARG A 131 16.048 -7.419 -0.946 1.00 23.02 C ATOM 1242 NE ARG A 131 14.614 -7.326 -0.791 1.00 25.25 N ATOM 1243 CZ ARG A 131 13.911 -6.255 -1.054 1.00 21.29 C ATOM 1244 NH1 ARG A 131 14.486 -5.105 -1.461 1.00 25.97 N ATOM 1245 NH2 ARG A 131 12.594 -6.339 -0.879 1.00 29.50 N ATOM 1246 HE ARG A 131 14.107 -8.167 -0.447 1.00 0.00 H ATOM 1247 HH12 ARG A 131 13.897 -4.272 -1.662 1.00 0.00 H ATOM 1248 HH11 ARG A 131 15.518 -5.051 -1.574 1.00 0.00 H ATOM 1249 HH22 ARG A 131 11.990 -5.515 -1.074 1.00 0.00 H ATOM 1250 HH21 ARG A 131 12.169 -7.228 -0.547 1.00 0.00 H ATOM 1251 H ARG A 131 17.037 -10.338 -4.157 1.00 0.00 H ATOM 1252 N ALA A 132 20.084 -7.228 -4.550 1.00 16.97 N ATOM 1253 CA ALA A 132 21.534 -7.059 -4.628 1.00 21.31 C ATOM 1254 C ALA A 132 22.210 -7.262 -3.263 1.00 27.07 C ATOM 1255 O ALA A 132 21.586 -7.024 -2.214 1.00 31.22 O ATOM 1256 CB ALA A 132 21.857 -5.718 -5.251 1.00 29.86 C ATOM 1257 OXT ALA A 132 23.358 -7.778 -3.182 1.00 41.47 O ATOM 1258 H ALA A 132 19.461 -6.419 -4.749 1.00 0.00 H TER 1259 ALA A 132 HETATM 1260 O HOH 1 3.944 -6.691 -34.030 1.00 36.64 O HETATM 1261 O HOH 2 3.459 13.838 -25.566 1.00 39.18 O HETATM 1262 O HOH 3 12.891 -17.284 -3.181 1.00 33.79 O HETATM 1263 O HOH 4 16.718 4.364 -25.702 1.00 27.01 O HETATM 1264 O HOH 5 4.325 -13.023 -34.938 1.00 40.97 O HETATM 1265 O HOH 6 2.942 2.177 -4.380 1.00 40.46 O HETATM 1266 O HOH 7 16.270 -11.633 -3.064 1.00 22.53 O HETATM 1267 O HOH 8 7.326 12.973 -4.644 1.00 29.14 O HETATM 1268 O HOH 9 19.773 -14.144 -18.364 1.00 29.37 O HETATM 1269 O HOH 10 16.240 -17.151 -0.670 1.00 36.08 O HETATM 1270 O HOH 11 12.709 7.954 -5.704 1.00 23.29 O HETATM 1271 O HOH 12 12.888 -6.608 -16.891 1.00 21.43 O HETATM 1272 O HOH 13 16.051 -5.017 -16.258 1.00 26.70 O HETATM 1273 O HOH 14 14.373 -3.001 -15.947 1.00 20.59 O HETATM 1274 O HOH 15 26.266 -14.489 -15.714 1.00 25.76 O HETATM 1275 O HOH 16 29.130 -6.179 -20.427 1.00 21.38 O HETATM 1276 O HOH 17 -7.628 -6.138 -8.458 1.00 33.27 O HETATM 1277 O HOH 18 9.690 -19.820 -19.645 1.00 32.67 O HETATM 1278 O HOH 19 12.865 10.334 -13.749 1.00 17.29 O HETATM 1279 O HOH 20 13.390 -16.544 -15.580 1.00 15.99 O HETATM 1280 O HOH 21 12.365 2.750 -20.684 1.00 21.25 O HETATM 1281 O HOH 22 -5.341 8.431 -16.597 1.00 35.32 O HETATM 1282 O HOH 23 1.614 6.720 -7.776 1.00 19.05 O HETATM 1283 O HOH 24 13.957 -15.034 -31.493 1.00 30.78 O HETATM 1284 O HOH 25 25.133 -6.274 -31.369 1.00 40.04 O HETATM 1285 O HOH 26 6.507 4.416 -33.712 1.00 26.05 O HETATM 1286 O HOH 27 11.273 -3.937 -0.538 1.00 20.07 O HETATM 1287 O HOH 28 19.814 -5.108 -1.685 1.00 33.55 O HETATM 1288 O HOH 29 20.995 5.186 -13.557 1.00 28.12 O HETATM 1289 O HOH 30 0.731 -7.777 -27.516 1.00 27.85 O HETATM 1290 O HOH 31 21.513 0.705 -5.570 1.00 42.72 O HETATM 1291 O HOH 32 19.167 5.940 -22.004 1.00 25.74 O HETATM 1292 O HOH 33 -0.575 -5.420 -23.956 1.00 27.01 O HETATM 1293 O HOH 34 19.957 -11.612 -2.499 1.00 34.12 O HETATM 1294 O HOH 35 3.744 13.507 -13.831 1.00 29.38 O HETATM 1295 O HOH 36 18.945 6.270 -13.906 1.00 36.05 O HETATM 1296 O HOH 37 13.743 8.739 -19.103 1.00 18.21 O HETATM 1297 O HOH 38 18.931 1.174 -28.359 1.00 37.81 O HETATM 1298 O HOH 39 -1.685 12.215 -11.417 1.00 19.27 O HETATM 1299 O HOH 40 6.310 0.257 -34.667 1.00 20.50 O HETATM 1300 O HOH 41 4.464 6.311 -35.381 1.00 36.58 O HETATM 1301 O HOH 42 -0.746 10.871 -22.924 1.00 27.89 O HETATM 1302 O HOH 43 22.925 -12.390 -27.206 1.00 26.67 O HETATM 1303 O HOH 44 -1.111 -11.232 -26.181 1.00 18.05 O HETATM 1304 O HOH 45 -0.619 3.639 -22.146 1.00 16.80 O HETATM 1305 O HOH 46 7.842 -2.008 -32.903 1.00 18.07 O HETATM 1306 O HOH 47 0.604 -14.645 -15.885 1.00 26.71 O HETATM 1307 O HOH 48 10.000 0.084 -19.104 1.00 17.99 O HETATM 1308 O HOH 49 12.524 -18.545 -10.037 1.00 39.69 O HETATM 1309 O HOH 50 9.112 -18.116 -26.807 1.00 26.16 O HETATM 1310 O HOH 51 15.910 -17.479 -8.632 1.00 24.91 O HETATM 1311 O HOH 52 3.535 -8.479 -6.083 1.00 30.43 O HETATM 1312 O HOH 53 2.106 12.363 -17.774 1.00 20.38 O HETATM 1313 O HOH 54 23.107 -12.724 -12.420 1.00 25.98 O HETATM 1314 O HOH 55 23.641 1.285 -26.137 1.00 34.36 O HETATM 1315 O HOH 56 14.424 -0.590 -19.673 1.00 15.94 O HETATM 1316 O HOH 57 -5.379 -0.296 -10.051 1.00 44.52 O HETATM 1317 O HOH 58 22.265 -15.796 -12.651 1.00 20.12 O HETATM 1318 O HOH 59 15.111 5.984 -22.389 1.00 29.39 O HETATM 1319 O HOH 60 18.827 -11.934 -27.512 1.00 21.32 O HETATM 1320 O HOH 61 -2.219 7.649 -8.591 1.00 21.52 O HETATM 1321 O HOH 62 10.487 8.596 -7.178 1.00 17.84 O HETATM 1322 O HOH 63 6.308 13.951 -22.498 1.00 27.54 O HETATM 1323 O HOH 64 -0.453 -2.257 -35.574 1.00 26.32 O HETATM 1324 O HOH 65 15.100 4.411 -8.367 1.00 14.06 O HETATM 1325 O HOH 66 16.021 11.796 -13.984 1.00 11.19 O HETATM 1326 O HOH 67 15.803 10.705 -10.851 1.00 12.81 O HETATM 1327 O HOH 68 5.455 10.249 -15.632 1.00 17.17 O HETATM 1328 O HOH 69 25.955 -11.694 -19.321 1.00 39.06 O HETATM 1329 O HOH 70 5.270 -3.325 -14.387 1.00 12.19 O HETATM 1330 O HOH 71 -3.901 5.410 -19.990 1.00 27.49 O HETATM 1331 O HOH 72 25.086 -6.848 -22.764 1.00 19.53 O HETATM 1332 O HOH 73 3.567 -13.012 -6.477 1.00 38.89 O HETATM 1333 O HOH 74 12.860 1.516 -32.401 1.00 23.43 O HETATM 1334 O HOH 75 5.413 -14.257 -2.101 1.00 39.84 O HETATM 1335 O HOH 76 18.573 -9.023 -20.594 1.00 13.85 O HETATM 1336 O HOH 77 12.501 -1.305 -31.873 1.00 16.48 O HETATM 1337 O HOH 78 25.032 -5.376 -20.433 1.00 16.48 O HETATM 1338 O HOH 79 -0.452 -12.006 -17.965 1.00 27.09 O HETATM 1339 O HOH 80 5.745 -9.114 -34.227 1.00 37.14 O HETATM 1340 O HOH 81 5.222 5.899 -31.661 1.00 19.83 O HETATM 1341 O HOH 82 7.989 -17.179 -19.838 1.00 18.98 O HETATM 1342 O HOH 83 9.743 8.694 -19.623 1.00 24.11 O HETATM 1343 O HOH 84 14.987 -17.963 -11.258 1.00 22.65 O HETATM 1344 O HOH 85 17.003 -16.966 -29.301 1.00 24.89 O HETATM 1345 O HOH 86 1.450 5.494 -15.131 1.00 12.67 O HETATM 1346 O HOH 87 3.233 -14.143 -31.381 1.00 23.02 O HETATM 1347 O HOH 88 15.769 1.999 -3.893 1.00 16.44 O HETATM 1348 O HOH 89 9.284 -13.845 -31.618 1.00 24.86 O HETATM 1349 O HOH 90 3.194 -17.382 -24.435 1.00 14.69 O HETATM 1350 O HOH 91 17.661 -13.898 -32.700 1.00 33.72 O HETATM 1351 O HOH 92 -4.653 3.552 -23.270 1.00 40.09 O HETATM 1352 O HOH 93 0.896 4.752 -36.060 1.00 35.43 O HETATM 1353 O HOH 94 17.998 -11.929 -21.009 1.00 38.19 O HETATM 1354 O HOH 95 20.614 -12.169 -19.909 1.00 26.51 O HETATM 1355 O HOH 96 2.419 5.377 -31.867 1.00 19.72 O HETATM 1356 O HOH 97 17.833 0.361 -3.298 1.00 24.79 O HETATM 1357 O HOH 98 24.985 -7.054 -18.126 1.00 20.65 O HETATM 1358 O HOH 99 6.064 -5.216 -33.618 1.00 37.31 O HETATM 1359 O HOH 100 17.301 -7.209 -37.501 1.00 35.39 O HETATM 1360 O HOH 101 13.519 10.128 -9.260 1.00 15.62 O HETATM 1361 O HOH 102 13.033 0.291 -21.790 1.00 14.33 O HETATM 1362 O HOH 103 -3.589 9.225 -17.970 1.00 36.86 O HETATM 1363 O HOH 104 -1.651 0.931 -29.419 1.00 23.63 O HETATM 1364 O HOH 105 14.032 1.769 -16.254 1.00 14.39 O HETATM 1365 O HOH 106 4.596 6.577 -1.250 1.00 40.24 O HETATM 1366 O HOH 107 18.860 -16.453 -19.682 1.00 20.26 O HETATM 1367 O HOH 108 3.819 7.110 -28.575 1.00 24.62 O HETATM 1368 O HOH 109 2.450 -9.364 -18.760 1.00 17.13 O HETATM 1369 O HOH 110 20.887 -13.813 -6.099 1.00 31.69 O HETATM 1370 O HOH 111 20.009 5.204 -7.782 1.00 33.00 O HETATM 1371 O HOH 112 0.116 4.851 -28.479 1.00 23.66 O HETATM 1372 O HOH 113 24.565 -1.076 -12.164 1.00 34.55 O HETATM 1373 O HOH 114 15.689 -2.035 -33.001 1.00 44.35 O HETATM 1374 O HOH 115 20.697 -5.414 -36.600 1.00 31.03 O HETATM 1375 O HOH 116 -1.718 -0.257 -16.502 1.00 17.81 O HETATM 1376 O HOH 117 20.854 -15.110 -16.115 1.00 26.58 O HETATM 1377 O HOH 118 25.610 1.061 -16.113 1.00 18.63 O HETATM 1378 O HOH 119 12.199 -7.740 -34.754 1.00 21.21 O HETATM 1379 O HOH 120 27.390 -4.360 -23.265 1.00 43.38 O HETATM 1380 O HOH 121 4.925 9.006 -26.847 1.00 26.66 O HETATM 1381 O HOH 122 20.025 -18.481 -14.644 1.00 15.70 O HETATM 1382 O HOH 123 13.842 -12.918 -38.795 1.00 39.52 O HETATM 1383 O HOH 124 10.643 -1.023 -22.216 1.00 19.73 O HETATM 1384 O HOH 125 9.093 -3.456 -23.733 1.00 15.75 O HETATM 1385 O HOH 126 -3.169 1.798 -9.646 1.00 20.91 O HETATM 1386 O HOH 127 27.500 1.719 -20.382 1.00 24.88 O HETATM 1387 O HOH 128 2.986 9.272 -14.833 1.00 13.06 O HETATM 1388 O HOH 129 -1.163 12.246 -3.086 1.00 36.93 O HETATM 1389 O HOH 130 15.959 -19.971 -16.265 1.00 16.33 O HETATM 1390 O HOH 131 11.724 -4.154 -15.704 1.00 21.78 O HETATM 1391 O HOH 132 19.288 -3.185 -33.876 1.00 23.75 O HETATM 1392 O HOH 133 8.731 4.428 -31.990 1.00 21.78 O HETATM 1393 O HOH 134 -2.874 -3.590 -5.249 1.00 39.04 O HETATM 1394 O HOH 135 6.695 -17.433 -25.320 1.00 30.06 O HETATM 1395 O HOH 136 12.208 4.559 -1.937 1.00 18.41 O HETATM 1396 O HOH 137 22.934 4.506 -21.313 1.00 22.89 O HETATM 1397 O HOH 138 13.053 5.549 -20.312 1.00 28.70 O HETATM 1398 O HOH 139 10.159 9.053 -16.940 1.00 18.93 O HETATM 1399 O HOH 140 14.577 -18.316 -29.038 1.00 26.49 O HETATM 1400 O HOH 141 1.808 14.843 -12.536 1.00 16.86 O HETATM 1401 O HOH 142 22.262 -1.278 -30.321 1.00 40.25 O HETATM 1402 O HOH 143 17.367 -3.979 -2.103 1.00 20.19 O HETATM 1403 O HOH 144 24.111 -4.466 -14.692 1.00 26.77 O HETATM 1404 O HOH 145 -6.401 -2.014 -8.668 1.00 38.55 O HETATM 1405 O HOH 146 13.847 -16.529 -26.870 1.00 13.68 O HETATM 1406 O HOH 147 25.781 -4.780 -16.924 1.00 18.52 O HETATM 1407 O HOH 148 26.302 -10.279 -14.146 1.00 29.62 O HETATM 1408 O HOH 149 17.938 -13.583 -23.346 1.00 19.80 O HETATM 1409 O HOH 150 -4.446 -10.620 -16.632 1.00 35.57 O HETATM 1410 O HOH 151 -4.427 -1.060 -5.891 1.00 40.67 O HETATM 1411 O HOH 152 11.053 -18.076 -14.451 1.00 34.94 O HETATM 1412 O HOH 153 24.991 2.467 -19.637 1.00 26.79 O HETATM 1413 O HOH 154 0.086 -5.838 -29.959 1.00 20.56 O HETATM 1414 O HOH 155 -6.446 -4.222 -7.035 1.00 34.94 O HETATM 1415 O HOH 156 9.037 11.398 -15.745 1.00 32.28 O HETATM 1416 O HOH 157 -2.554 -8.651 -13.410 1.00 40.79 O HETATM 1417 O HOH 158 13.109 7.429 -2.403 1.00 33.56 O HETATM 1418 O HOH 159 3.264 5.782 -5.141 1.00 34.66 O HETATM 1419 O HOH 160 -5.450 -0.999 -26.470 1.00 42.91 O HETATM 1420 O HOH 161 26.301 3.784 -15.489 1.00 36.15 O HETATM 1421 O HOH 162 2.917 -5.624 -3.480 1.00 41.74 O HETATM 1422 O HOH 163 7.241 8.461 -26.325 1.00 22.74 O HETATM 1423 O HOH 164 -0.982 3.212 -30.428 1.00 25.27 O HETATM 1424 O HOH 165 -2.599 -5.271 -28.661 1.00 34.71 O HETATM 1425 O HOH 166 5.162 -11.177 -12.997 1.00 28.40 O HETATM 1426 O HOH 167 -4.167 -2.549 -25.170 1.00 35.16 O HETATM 1427 O HOH 168 0.303 -7.749 -23.975 1.00 27.37 O HETATM 1428 O HOH 169 15.556 -2.075 -0.183 1.00 36.41 O HETATM 1429 O HOH 170 20.026 -11.984 -30.967 1.00 32.01 O HETATM 1430 O HOH 171 19.868 4.213 -14.791 1.00 30.94 O HETATM 1431 O HOH 172 25.594 -1.326 -14.907 1.00 27.22 O HETATM 1432 O HOH 173 8.051 -20.328 -16.841 1.00 31.96 O HETATM 1433 O HOH 174 6.731 7.456 0.205 1.00 43.89 O HETATM 1434 O HOH 175 -4.031 3.917 -10.818 1.00 31.96 O HETATM 1435 O HOH 176 25.615 3.723 -12.459 1.00 36.88 O HETATM 1436 O HOH 177 21.796 -13.746 -25.198 1.00 23.52 O HETATM 1437 O HOH 178 17.349 5.458 -6.992 1.00 23.06 O HETATM 1438 O HOH 179 12.315 0.626 -17.966 1.00 33.81 O HETATM 1439 O HOH 180 -2.468 4.203 -32.589 1.00 42.61 O HETATM 1440 O HOH 181 14.859 -3.707 1.873 1.00 17.17 O HETATM 1441 O HOH 182 -4.187 5.881 -8.649 1.00 41.53 O HETATM 1442 O HOH 183 28.023 0.890 -17.806 1.00 20.19 O HETATM 1443 O HOH 184 29.197 -11.879 -28.444 1.00 28.32 O HETATM 1444 O HOH 185 2.523 -12.010 -13.806 1.00 37.54 O HETATM 1445 O HOH 186 -0.576 7.293 -6.487 1.00 26.20 O HETATM 1446 O HOH 187 -3.084 -7.023 -17.644 1.00 38.13 O HETATM 1447 O HOH 188 10.461 2.731 -33.185 1.00 30.68 O HETATM 1448 O HOH 189 8.263 12.264 -12.860 1.00 29.86 O HETATM 1449 O HOH 190 8.711 1.266 -33.695 1.00 36.13 O HETATM 1450 O HOH 191 6.015 12.037 -13.066 1.00 41.57 O HETATM 1451 O HOH 192 15.348 -8.022 2.946 1.00 34.05 O HETATM 1452 O HOH 193 -2.136 5.204 -26.719 1.00 25.13 O HETATM 1453 O HOH 194 19.152 -13.947 -25.775 1.00 19.55 O HETATM 1454 O HOH 195 -0.173 -9.827 -19.697 1.00 22.67 O HETATM 1455 O HOH 196 -3.424 -7.085 -26.474 1.00 30.95 O HETATM 1456 O HOH 197 7.844 -5.128 -36.117 1.00 31.56 O HETATM 1457 O HOH 198 10.770 11.348 -7.709 1.00 29.96 O HETATM 1458 O HOH 199 17.979 -1.392 -1.007 1.00 33.97 O HETATM 1459 O HOH 200 -0.161 -6.416 -32.477 1.00 40.09 O HETATM 1460 O HOH 201 16.573 -5.754 2.334 1.00 29.00 O HETATM 1461 O HOH 202 9.796 -6.876 -36.578 1.00 38.41 O HETATM 1462 O HOH 203 -1.082 -9.389 -22.216 1.00 23.35 O HETATM 1463 O HOH 204 -3.173 1.379 -35.947 1.00 39.11 O HETATM 1464 O HOH 205 8.588 -16.232 -31.481 1.00 37.53 O HETATM 1465 O HOH 206 18.936 -6.040 0.818 1.00 36.03 O HETATM 1466 O HOH 207 14.660 -20.381 -12.278 1.00 27.09 O HETATM 1467 O HOH 208 21.655 0.861 -28.266 1.00 40.48 O HETATM 1468 O HOH 209 7.817 14.105 -26.441 1.00 39.63 O HETATM 1469 O HOH 210 9.479 13.287 -6.403 1.00 26.26 O HETATM 1470 O HOH 211 -1.065 -8.411 -25.780 1.00 36.76 O HETATM 1471 O HOH 212 21.540 -2.790 -1.956 1.00 42.68 O HETATM 1472 O HOH 213 20.053 3.145 -4.183 1.00 37.06 O HETATM 1473 O HOH 214 1.345 6.866 -29.646 1.00 27.63 O HETATM 1474 O HOH 215 12.642 -9.597 -36.941 1.00 33.95 O HETATM 1475 O HOH 216 9.931 6.782 -33.013 1.00 38.69 O HETATM 1476 O HOH 217 0.859 1.670 -2.991 1.00 42.53 O HETATM 1477 O HOH 218 -4.222 1.259 -28.523 1.00 43.49 O HETATM 1478 O HOH 219 28.120 -8.303 -21.876 1.00 33.31 O HETATM 1479 O HOH 220 17.480 4.118 -4.484 1.00 21.04 O HETATM 1480 O HOH 221 8.978 10.465 -26.105 1.00 20.44 O HETATM 1481 O HOH 222 -4.371 3.712 -27.762 1.00 33.53 O HETATM 1482 O HOH 223 22.582 5.238 -24.039 1.00 43.73 O HETATM 1483 O HOH 224 -3.267 2.934 -7.017 1.00 38.77 O HETATM 1484 O HOH 225 23.054 -14.689 -7.851 1.00 40.53 O HETATM 1485 O HOH 226 -1.709 5.095 -5.075 1.00 40.78 O HETATM 1486 C10 UNN A 227 15.295 -4.054 -24.009 1.00 -0.03 C HETATM 1487 C13 UNN A 227 14.430 -4.086 -22.941 1.00 0.01 C HETATM 1488 C7 UNN A 227 14.849 -4.125 -21.586 1.00 0.02 C HETATM 1489 C6 UNN A 227 16.262 -4.126 -21.285 1.00 -0.01 C HETATM 1490 C1 UNN A 227 17.024 -5.294 -21.441 1.00 -0.06 C HETATM 1491 C2 UNN A 227 18.359 -5.333 -21.193 1.00 -0.06 C HETATM 1492 C3 UNN A 227 19.027 -4.248 -20.755 1.00 -0.06 C HETATM 1493 C4 UNN A 227 18.338 -3.039 -20.560 1.00 -0.04 C HETATM 1494 C24 UNN A 227 19.102 -1.847 -20.047 1.00 -0.01 C HETATM 1495 C25 UNN A 227 18.383 -0.536 -20.292 1.00 -0.05 C HETATM 1496 H11 UNN A 227 18.988 0.293 -19.897 1.00 0.03 H HETATM 1497 H12 UNN A 227 17.407 -0.552 -19.784 1.00 0.03 H HETATM 1498 H13 UNN A 227 18.232 -0.397 -21.373 1.00 0.03 H HETATM 1499 C26 UNN A 227 19.325 -1.981 -18.577 1.00 -0.05 C HETATM 1500 H14 UNN A 227 19.847 -2.927 -18.370 1.00 0.03 H HETATM 1501 H15 UNN A 227 18.356 -1.976 -18.057 1.00 0.03 H HETATM 1502 H16 UNN A 227 19.937 -1.139 -18.221 1.00 0.03 H HETATM 1503 H10 UNN A 227 20.075 -1.815 -20.559 1.00 0.05 H HETATM 1504 C5 UNN A 227 16.978 -2.983 -20.823 1.00 -0.05 C HETATM 1505 H20 UNN A 227 16.447 -2.050 -20.674 1.00 0.06 H HETATM 1506 H19 UNN A 227 20.091 -4.307 -20.554 1.00 0.06 H HETATM 1507 H18 UNN A 227 18.900 -6.259 -21.351 1.00 0.06 H HETATM 1508 H17 UNN A 227 16.529 -6.199 -21.772 1.00 0.06 H HETATM 1509 C14 UNN A 227 13.887 -4.188 -20.586 1.00 0.05 C HETATM 1510 C15 UNN A 227 12.527 -4.234 -20.904 1.00 0.04 C HETATM 1511 C17 UNN A 227 11.485 -4.358 -19.842 1.00 0.01 C HETATM 1512 C22 UNN A 227 10.477 -3.276 -19.818 1.00 -0.05 C HETATM 1513 H4 UNN A 227 9.760 -3.461 -19.004 1.00 0.03 H HETATM 1514 H5 UNN A 227 9.943 -3.251 -20.779 1.00 0.03 H HETATM 1515 H6 UNN A 227 10.979 -2.311 -19.653 1.00 0.03 H HETATM 1516 C23 UNN A 227 10.824 -5.698 -20.033 1.00 -0.05 C HETATM 1517 H7 UNN A 227 11.591 -6.486 -20.048 1.00 0.03 H HETATM 1518 H8 UNN A 227 10.274 -5.703 -20.986 1.00 0.03 H HETATM 1519 H9 UNN A 227 10.124 -5.883 -19.205 1.00 0.03 H HETATM 1520 H3 UNN A 227 11.994 -4.349 -18.867 1.00 0.05 H HETATM 1521 N16 UNN A 227 12.114 -4.159 -22.200 1.00 -0.30 N HETATM 1522 C12 UNN A 227 13.031 -4.103 -23.219 1.00 0.04 C HETATM 1523 C11 UNN A 227 12.563 -4.107 -24.540 1.00 -0.04 C HETATM 1524 C8 UNN A 227 13.455 -4.055 -25.571 1.00 -0.04 C HETATM 1525 C9 UNN A 227 14.803 -4.030 -25.281 1.00 0.04 C HETATM 1526 CL1 UNN A 227 15.958 -4.015 -26.594 1.00 -0.07 CL HETATM 1527 H21 UNN A 227 13.111 -4.034 -26.599 1.00 0.07 H HETATM 1528 H2 UNN A 227 11.499 -4.151 -24.741 1.00 0.06 H HETATM 1529 C19 UNN A 227 14.371 -4.213 -19.189 1.00 0.07 C HETATM 1530 O20 UNN A 227 14.516 -3.115 -18.592 1.00 -0.56 O HETATM 1531 O21 UNN A 227 14.692 -5.288 -18.646 1.00 -0.56 O HETATM 1532 H1 UNN A 227 16.366 -4.048 -23.841 1.00 0.07 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1486 1487 1525 1532 CONECT 1487 1486 1488 1522 CONECT 1488 1487 1489 1509 CONECT 1489 1488 1490 1504 CONECT 1490 1489 1491 1508 CONECT 1491 1490 1492 1507 CONECT 1492 1491 1493 1506 CONECT 1493 1492 1494 1504 CONECT 1494 1493 1495 1499 1503 CONECT 1495 1494 1496 1497 1498 CONECT 1496 1495 CONECT 1497 1495 CONECT 1498 1495 CONECT 1499 1494 1500 1501 1502 CONECT 1500 1499 CONECT 1501 1499 CONECT 1502 1499 CONECT 1503 1494 CONECT 1504 1489 1493 1505 CONECT 1505 1504 CONECT 1506 1492 CONECT 1507 1491 CONECT 1508 1490 CONECT 1509 1488 1510 1529 CONECT 1510 1509 1511 1521 CONECT 1511 1510 1512 1516 1520 CONECT 1512 1511 1513 1514 1515 CONECT 1513 1512 CONECT 1514 1512 CONECT 1515 1512 CONECT 1516 1511 1517 1518 1519 CONECT 1517 1516 CONECT 1518 1516 CONECT 1519 1516 CONECT 1520 1511 CONECT 1521 1510 1522 CONECT 1522 1487 1521 1523 CONECT 1523 1522 1524 1528 CONECT 1524 1523 1525 1527 CONECT 1525 1486 1524 1526 CONECT 1526 1525 CONECT 1527 1524 CONECT 1528 1523 CONECT 1529 1509 1530 1531 CONECT 1530 1529 CONECT 1531 1529 CONECT 1532 1486 MASTER 0 0 0 0 0 0 0 0 1531 1 51 11 END
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Structure:
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Protein
Pocket-Ligand
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Related entries of code: 5hz6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1adl
RCSB PDB
PDBbind
131aa, >1ADL_1|Chain... at 100%
1g74
RCSB PDB
PDBbind
131aa, >1G74_1|Chain... at 97%
1tou
RCSB PDB
PDBbind
131aa, >1TOU_1|Chain... at 91%
1tow
RCSB PDB
PDBbind
131aa, >1TOW_1|Chain... at 91%
2ans
RCSB PDB
PDBbind
131aa, >2ANS_1|Chains... at 100%
2nnq
RCSB PDB
PDBbind
131aa, >2NNQ_1|Chain... at 91%
2qm9
RCSB PDB
PDBbind
155aa, >2QM9_1|Chains... *
3fr2
RCSB PDB
PDBbind
131aa, >3FR2_1|Chain... at 91%
3fr4
RCSB PDB
PDBbind
132aa, >3FR4_1|Chain... at 91%
3fr5
RCSB PDB
PDBbind
131aa, >3FR5_1|Chain... at 91%
3hk1
RCSB PDB
PDBbind
131aa, >3HK1_1|Chain... at 100%
5c0n
RCSB PDB
PDBbind
132aa, >5C0N_1|Chains... at 100%
5d8j
RCSB PDB
PDBbind
134aa, >5D8J_1|Chain... at 98%
5edb
RCSB PDB
PDBbind
134aa, >5EDB_1|Chain... at 90%
5edc
RCSB PDB
PDBbind
133aa, >5EDC_1|Chain... at 90%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5hz6
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human fatty acid binding proteins 4 (FABP4)
Ligand Name
65Y
EC.Number
E.C.-.-.-.-
Resolution
1.14(Å)
Affinity (Kd/Ki/IC50)
Ki=0.016uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Bioorg. Med. Chem. Lett. Vol. 26: pp. 5092-5097
Ligand Properties
Formula
C
2
2
H
2
2
ClNO
2
Molecular Weight
367.869
Exact Mass
367.134
No. of atoms
48
No. of bonds
50
Polar Surface Area
50.19
LOGP Value
7.34 (
Computed with XLOGP3
)
6.50 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
Clc1ccc2c(c1)c(c1cccc(c1)C(C)C)c(c(n2)C(C)C)C(=O)O
InChI String
InChI=1S/C22H22ClNO2/c1-12(2)14-6-5-7-15(10-14)19-17-11-16(23)8-9-18(17)24-21(13(3)4)20(19)22(25)26/h5-13H,1-4H3,(H,25,26)
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P15090
Entrez Gene ID
NCBI Entrez Gene ID:
2167
ASD
Information of known allosteric effects of PDB entries
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