Browse entries in the PDBbind-CN Database
HEADER 4QIP_COMPLEX COMPND 4QIP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 159 GLY VAL PHE ASN TYR GLU THR GLU THR THR SER VAL ILE SEQRES 2 A 159 PRO ALA ALA ARG LEU PHE LYS ALA PHE ILE LEU ASP GLY SEQRES 3 A 159 ASP ASN LEU PHE PRO LYS VAL ALA PRO GLN ALA ILE SER SEQRES 4 A 159 SER VAL GLU ASN ILE GLU GLY ASN GLY GLY PRO GLY THR SEQRES 5 A 159 ILE LYS LYS ILE SER PHE PRO GLU GLY PHE PRO PHE LYS SEQRES 6 A 159 TYR VAL LYS ASP ARG VAL ASP GLU VAL ASP HIS THR ASN SEQRES 7 A 159 PHE LYS TYR ASN TYR SER VAL ILE GLU GLY GLY PRO ILE SEQRES 8 A 159 GLY ASP THR LEU GLU LYS ILE SER ASN GLU ILE LYS ILE SEQRES 9 A 159 VAL ALA THR PRO ASP GLY GLY SER ILE LEU LYS ILE SER SEQRES 10 A 159 ASN LYS TYR HIS THR LYS GLY ASP HIS GLU VAL LYS ALA SEQRES 11 A 159 GLU GLN VAL LYS ALA SER LYS GLU MET GLY GLU THR LEU SEQRES 12 A 159 LEU ARG ALA VAL GLU SER TYR LEU LEU ALA HIS SER ASP SEQRES 13 A 159 ALA TYR ASN HET SDS A 208 42 ATOM 1 N GLY A 1 -7.430 -9.687 20.123 1.00 18.69 N ATOM 2 CA GLY A 1 -7.951 -9.110 18.869 1.00 20.25 C ATOM 3 C GLY A 1 -6.961 -8.196 18.182 1.00 18.18 C ATOM 4 O GLY A 1 -5.881 -7.941 18.708 1.00 18.05 O ATOM 5 HN3 GLY A 1 -7.196 -8.920 20.785 1.00 0.00 H ATOM 6 HN2 GLY A 1 -6.575 -10.243 19.918 1.00 0.00 H ATOM 7 HN1 GLY A 1 -8.153 -10.303 20.546 1.00 0.00 H ATOM 8 N VAL A 2 -7.336 -7.698 17.007 1.00 16.98 N ATOM 9 CA VAL A 2 -6.452 -6.848 16.216 1.00 18.46 C ATOM 10 C VAL A 2 -7.063 -5.474 15.948 1.00 16.59 C ATOM 11 O VAL A 2 -8.221 -5.368 15.554 1.00 16.91 O ATOM 12 CB VAL A 2 -6.099 -7.488 14.854 1.00 18.56 C ATOM 13 CG1 VAL A 2 -5.077 -6.631 14.124 1.00 18.30 C ATOM 14 CG2 VAL A 2 -5.562 -8.900 15.030 1.00 20.33 C ATOM 15 H VAL A 2 -8.284 -7.920 16.642 1.00 0.00 H ATOM 16 N PHE A 3 -6.263 -4.434 16.172 1.00 16.30 N ATOM 17 CA PHE A 3 -6.584 -3.078 15.738 1.00 16.43 C ATOM 18 C PHE A 3 -5.761 -2.765 14.493 1.00 17.43 C ATOM 19 O PHE A 3 -4.531 -2.913 14.502 1.00 13.65 O ATOM 20 CB PHE A 3 -6.262 -2.056 16.828 1.00 16.74 C ATOM 21 CG PHE A 3 -7.008 -2.268 18.115 1.00 16.51 C ATOM 22 CD1 PHE A 3 -6.558 -3.192 19.055 1.00 17.34 C ATOM 23 CD2 PHE A 3 -8.142 -1.523 18.403 1.00 18.66 C ATOM 24 CE1 PHE A 3 -7.243 -3.383 20.248 1.00 18.37 C ATOM 25 CE2 PHE A 3 -8.828 -1.709 19.591 1.00 19.23 C ATOM 26 CZ PHE A 3 -8.378 -2.638 20.515 1.00 20.56 C ATOM 27 H PHE A 3 -5.369 -4.595 16.679 1.00 0.00 H ATOM 28 N ASN A 4 -6.434 -2.344 13.424 1.00 16.92 N ATOM 29 CA ASN A 4 -5.738 -2.016 12.184 1.00 18.41 C ATOM 30 C ASN A 4 -5.649 -0.513 11.968 1.00 19.62 C ATOM 31 O ASN A 4 -6.657 0.202 12.005 1.00 16.84 O ATOM 32 CB ASN A 4 -6.402 -2.686 10.976 1.00 17.70 C ATOM 33 CG ASN A 4 -5.550 -2.597 9.717 1.00 18.96 C ATOM 34 OD1 ASN A 4 -4.581 -3.340 9.550 1.00 18.15 O ATOM 35 ND2 ASN A 4 -5.917 -1.686 8.820 1.00 20.80 N ATOM 36 HD22 ASN A 4 -6.742 -1.080 9.002 1.00 0.00 H ATOM 37 HD21 ASN A 4 -5.379 -1.580 7.936 1.00 0.00 H ATOM 38 H ASN A 4 -7.468 -2.248 13.473 1.00 0.00 H ATOM 39 N TYR A 5 -4.422 -0.045 11.750 1.00 18.25 N ATOM 40 CA TYR A 5 -4.162 1.359 11.458 1.00 16.74 C ATOM 41 C TYR A 5 -3.440 1.481 10.123 1.00 20.72 C ATOM 42 O TYR A 5 -2.675 0.602 9.735 1.00 18.60 O ATOM 43 CB TYR A 5 -3.353 2.016 12.575 1.00 17.40 C ATOM 44 CG TYR A 5 -4.064 2.009 13.902 1.00 20.80 C ATOM 45 CD1 TYR A 5 -4.927 3.044 14.257 1.00 18.14 C ATOM 46 CD2 TYR A 5 -3.885 0.960 14.802 1.00 19.42 C ATOM 47 CE1 TYR A 5 -5.587 3.036 15.471 1.00 19.97 C ATOM 48 CE2 TYR A 5 -4.542 0.945 16.017 1.00 22.58 C ATOM 49 CZ TYR A 5 -5.394 1.981 16.347 1.00 22.39 C ATOM 50 OH TYR A 5 -6.050 1.964 17.559 1.00 24.93 O ATOM 51 HH TYR A 5 -6.616 2.772 17.638 1.00 0.00 H ATOM 52 H TYR A 5 -3.620 -0.705 11.789 1.00 0.00 H ATOM 53 N GLU A 6 -3.695 2.578 9.423 1.00 20.41 N ATOM 54 CA GLU A 6 -3.178 2.757 8.073 1.00 24.41 C ATOM 55 C GLU A 6 -2.845 4.225 7.845 1.00 24.34 C ATOM 56 O GLU A 6 -3.468 5.112 8.431 1.00 24.63 O ATOM 57 CB GLU A 6 -4.208 2.235 7.054 1.00 23.87 C ATOM 58 CG GLU A 6 -3.913 2.459 5.568 1.00 32.61 C ATOM 59 CD GLU A 6 -4.239 3.867 5.082 1.00 36.80 C ATOM 60 OE1 GLU A 6 -5.144 4.514 5.661 1.00 43.94 O ATOM 61 OE2 GLU A 6 -3.588 4.329 4.121 1.00 36.01 O ATOM 62 H GLU A 6 -4.277 3.328 9.848 1.00 0.00 H ATOM 63 N THR A 7 -1.835 4.470 7.019 1.00 22.63 N ATOM 64 CA THR A 7 -1.534 5.823 6.564 1.00 25.70 C ATOM 65 C THR A 7 -0.644 5.789 5.325 1.00 25.12 C ATOM 66 O THR A 7 -0.068 4.750 4.976 1.00 21.20 O ATOM 67 CB THR A 7 -0.902 6.697 7.678 1.00 24.28 C ATOM 68 OG1 THR A 7 -0.868 8.069 7.258 1.00 25.25 O ATOM 69 CG2 THR A 7 0.511 6.228 8.027 1.00 22.81 C ATOM 70 HG1 THR A 7 -0.464 8.622 7.973 1.00 0.00 H ATOM 71 H THR A 7 -1.245 3.680 6.689 1.00 0.00 H ATOM 72 N GLU A 8 -0.557 6.933 4.660 1.00 26.19 N ATOM 73 CA GLU A 8 0.291 7.093 3.491 1.00 23.25 C ATOM 74 C GLU A 8 1.114 8.360 3.609 1.00 23.33 C ATOM 75 O GLU A 8 0.671 9.347 4.198 1.00 23.53 O ATOM 76 CB GLU A 8 -0.550 7.176 2.225 1.00 23.04 C ATOM 77 CG GLU A 8 -0.875 5.837 1.604 1.00 29.28 C ATOM 78 CD GLU A 8 -1.488 5.987 0.231 1.00 31.86 C ATOM 79 OE1 GLU A 8 -1.296 7.055 -0.392 1.00 30.85 O ATOM 80 OE2 GLU A 8 -2.166 5.041 -0.221 1.00 34.89 O ATOM 81 H GLU A 8 -1.117 7.746 4.987 1.00 0.00 H ATOM 82 N THR A 9 2.307 8.327 3.028 1.00 19.82 N ATOM 83 CA THR A 9 3.171 9.500 2.986 1.00 19.95 C ATOM 84 C THR A 9 4.010 9.486 1.708 1.00 22.70 C ATOM 85 O THR A 9 4.223 8.432 1.095 1.00 18.71 O ATOM 86 CB THR A 9 4.069 9.597 4.246 1.00 21.00 C ATOM 87 OG1 THR A 9 4.489 10.952 4.440 1.00 23.14 O ATOM 88 CG2 THR A 9 5.292 8.693 4.131 1.00 22.07 C ATOM 89 HG1 THR A 9 5.062 11.007 5.246 1.00 0.00 H ATOM 90 H THR A 9 2.634 7.441 2.592 1.00 0.00 H ATOM 91 N THR A 10 4.471 10.659 1.295 1.00 19.73 N ATOM 92 CA THR A 10 5.247 10.760 0.066 1.00 17.90 C ATOM 93 C THR A 10 6.722 10.979 0.359 1.00 16.90 C ATOM 94 O THR A 10 7.097 11.401 1.457 1.00 18.35 O ATOM 95 CB THR A 10 4.729 11.891 -0.837 1.00 17.90 C ATOM 96 OG1 THR A 10 4.733 13.117 -0.101 1.00 19.80 O ATOM 97 CG2 THR A 10 3.314 11.590 -1.306 1.00 19.96 C ATOM 98 HG1 THR A 10 4.400 13.849 -0.679 1.00 0.00 H ATOM 99 H THR A 10 4.277 11.515 1.854 1.00 0.00 H ATOM 100 N SER A 11 7.553 10.687 -0.633 1.00 17.64 N ATOM 101 CA SER A 11 8.988 10.885 -0.527 1.00 15.31 C ATOM 102 C SER A 11 9.502 11.504 -1.819 1.00 16.01 C ATOM 103 O SER A 11 8.929 11.288 -2.888 1.00 14.72 O ATOM 104 CB SER A 11 9.693 9.552 -0.265 1.00 15.14 C ATOM 105 OG SER A 11 11.078 9.742 -0.016 1.00 14.82 O ATOM 106 HG SER A 11 11.193 10.321 0.778 1.00 0.00 H ATOM 107 H SER A 11 7.163 10.303 -1.517 1.00 0.00 H ATOM 108 N VAL A 12 10.578 12.280 -1.719 1.00 14.87 N ATOM 109 CA VAL A 12 11.203 12.858 -2.903 1.00 15.64 C ATOM 110 C VAL A 12 12.249 11.905 -3.475 1.00 14.90 C ATOM 111 O VAL A 12 12.857 12.181 -4.507 1.00 17.28 O ATOM 112 CB VAL A 12 11.829 14.242 -2.623 1.00 16.34 C ATOM 113 CG1 VAL A 12 10.742 15.275 -2.344 1.00 19.73 C ATOM 114 CG2 VAL A 12 12.836 14.173 -1.482 1.00 14.43 C ATOM 115 H VAL A 12 10.980 12.478 -0.781 1.00 0.00 H ATOM 116 N ILE A 13 12.433 10.773 -2.799 1.00 14.52 N ATOM 117 CA ILE A 13 13.417 9.768 -3.196 1.00 13.36 C ATOM 118 C ILE A 13 12.741 8.664 -4.012 1.00 14.51 C ATOM 119 O ILE A 13 11.662 8.200 -3.642 1.00 15.47 O ATOM 120 CB ILE A 13 14.137 9.178 -1.958 1.00 11.65 C ATOM 121 CG1 ILE A 13 14.853 10.285 -1.167 1.00 12.84 C ATOM 122 CG2 ILE A 13 15.125 8.081 -2.353 1.00 12.25 C ATOM 123 CD1 ILE A 13 15.843 11.112 -1.967 1.00 12.22 C ATOM 124 H ILE A 13 11.853 10.597 -1.954 1.00 0.00 H ATOM 125 N PRO A 14 13.357 8.257 -5.144 1.00 16.36 N ATOM 126 CA PRO A 14 12.814 7.136 -5.921 1.00 13.55 C ATOM 127 C PRO A 14 12.624 5.875 -5.069 1.00 12.78 C ATOM 128 O PRO A 14 13.360 5.669 -4.098 1.00 13.02 O ATOM 129 CB PRO A 14 13.868 6.918 -7.003 1.00 16.03 C ATOM 130 CG PRO A 14 14.479 8.268 -7.200 1.00 15.08 C ATOM 131 CD PRO A 14 14.488 8.907 -5.834 1.00 16.02 C ATOM 132 N ALA A 15 11.645 5.052 -5.439 1.00 10.97 N ATOM 133 CA ALA A 15 11.231 3.898 -4.637 1.00 11.09 C ATOM 134 C ALA A 15 12.369 2.932 -4.299 1.00 13.59 C ATOM 135 O ALA A 15 12.560 2.583 -3.127 1.00 12.56 O ATOM 136 CB ALA A 15 10.087 3.157 -5.325 1.00 10.79 C ATOM 137 H ALA A 15 11.153 5.236 -6.336 1.00 0.00 H ATOM 138 N ALA A 16 13.129 2.521 -5.313 1.00 13.22 N ATOM 139 CA ALA A 16 14.201 1.541 -5.127 1.00 11.97 C ATOM 140 C ALA A 16 15.316 2.075 -4.240 1.00 10.09 C ATOM 141 O ALA A 16 15.801 1.372 -3.354 1.00 8.77 O ATOM 142 CB ALA A 16 14.763 1.093 -6.472 1.00 12.16 C ATOM 143 H ALA A 16 12.956 2.907 -6.263 1.00 0.00 H ATOM 144 N ARG A 17 15.731 3.316 -4.479 1.00 10.86 N ATOM 145 CA ARG A 17 16.818 3.882 -3.701 1.00 11.88 C ATOM 146 C ARG A 17 16.402 4.055 -2.235 1.00 10.69 C ATOM 147 O ARG A 17 17.185 3.792 -1.318 1.00 7.21 O ATOM 148 CB ARG A 17 17.289 5.207 -4.298 1.00 11.95 C ATOM 149 CG ARG A 17 18.410 5.853 -3.491 1.00 13.64 C ATOM 150 CD ARG A 17 19.016 7.038 -4.218 1.00 12.07 C ATOM 151 NE ARG A 17 20.221 7.534 -3.550 1.00 10.86 N ATOM 152 CZ ARG A 17 20.405 8.798 -3.184 1.00 13.71 C ATOM 153 NH1 ARG A 17 19.460 9.700 -3.422 1.00 13.06 N ATOM 154 NH2 ARG A 17 21.536 9.164 -2.589 1.00 11.59 N ATOM 155 HE ARG A 17 20.981 6.853 -3.349 1.00 0.00 H ATOM 156 HH12 ARG A 17 19.602 10.690 -3.136 1.00 0.00 H ATOM 157 HH11 ARG A 17 18.578 9.417 -3.894 1.00 0.00 H ATOM 158 HH22 ARG A 17 21.677 10.154 -2.304 1.00 0.00 H ATOM 159 HH21 ARG A 17 22.280 8.460 -2.409 1.00 0.00 H ATOM 160 H ARG A 17 15.276 3.881 -5.224 1.00 0.00 H ATOM 161 N LEU A 18 15.164 4.492 -2.028 1.00 10.32 N ATOM 162 CA LEU A 18 14.639 4.670 -0.682 1.00 10.89 C ATOM 163 C LEU A 18 14.520 3.315 0.008 1.00 9.91 C ATOM 164 O LEU A 18 14.869 3.176 1.178 1.00 10.71 O ATOM 165 CB LEU A 18 13.281 5.385 -0.712 1.00 9.59 C ATOM 166 CG LEU A 18 12.722 5.788 0.660 1.00 10.99 C ATOM 167 CD1 LEU A 18 13.627 6.799 1.355 1.00 7.92 C ATOM 168 CD2 LEU A 18 11.316 6.337 0.507 1.00 10.02 C ATOM 169 H LEU A 18 14.558 4.711 -2.844 1.00 0.00 H ATOM 170 N PHE A 19 14.032 2.319 -0.723 1.00 12.31 N ATOM 171 CA PHE A 19 13.902 0.972 -0.173 1.00 13.47 C ATOM 172 C PHE A 19 15.265 0.410 0.236 1.00 15.00 C ATOM 173 O PHE A 19 15.395 -0.186 1.303 1.00 14.74 O ATOM 174 CB PHE A 19 13.216 0.032 -1.164 1.00 12.46 C ATOM 175 CG PHE A 19 12.824 -1.297 -0.567 1.00 11.56 C ATOM 176 CD1 PHE A 19 11.716 -1.400 0.270 1.00 12.34 C ATOM 177 CD2 PHE A 19 13.571 -2.439 -0.830 1.00 10.17 C ATOM 178 CE1 PHE A 19 11.356 -2.624 0.824 1.00 11.19 C ATOM 179 CE2 PHE A 19 13.220 -3.661 -0.277 1.00 10.38 C ATOM 180 CZ PHE A 19 12.112 -3.756 0.547 1.00 12.40 C ATOM 181 H PHE A 19 13.737 2.501 -1.704 1.00 0.00 H ATOM 182 N LYS A 20 16.275 0.612 -0.606 1.00 11.56 N ATOM 183 CA LYS A 20 17.626 0.139 -0.301 1.00 13.05 C ATOM 184 C LYS A 20 18.194 0.817 0.951 1.00 15.75 C ATOM 185 O LYS A 20 18.861 0.171 1.762 1.00 14.27 O ATOM 186 CB LYS A 20 18.564 0.367 -1.488 1.00 15.88 C ATOM 187 CG LYS A 20 19.996 -0.077 -1.221 1.00 15.84 C ATOM 188 CD LYS A 20 20.756 -0.328 -2.513 1.00 22.42 C ATOM 189 CE LYS A 20 22.010 -1.147 -2.251 1.00 23.93 C ATOM 190 NZ LYS A 20 22.632 -1.618 -3.518 1.00 26.70 N ATOM 191 HZ1 LYS A 20 21.954 -2.212 -4.036 1.00 0.00 H ATOM 192 HZ2 LYS A 20 22.892 -0.797 -4.101 1.00 0.00 H ATOM 193 HZ3 LYS A 20 23.484 -2.173 -3.299 1.00 0.00 H ATOM 194 H LYS A 20 16.101 1.116 -1.499 1.00 0.00 H ATOM 195 N ALA A 21 17.921 2.115 1.104 1.00 13.29 N ATOM 196 CA ALA A 21 18.486 2.895 2.213 1.00 12.53 C ATOM 197 C ALA A 21 17.593 2.888 3.455 1.00 12.51 C ATOM 198 O ALA A 21 17.990 2.391 4.512 1.00 13.81 O ATOM 199 CB ALA A 21 18.769 4.326 1.765 1.00 11.25 C ATOM 200 H ALA A 21 17.293 2.585 0.421 1.00 0.00 H ATOM 201 N PHE A 22 16.391 3.436 3.318 1.00 13.87 N ATOM 202 CA PHE A 22 15.474 3.621 4.442 1.00 16.28 C ATOM 203 C PHE A 22 15.034 2.291 5.056 1.00 20.67 C ATOM 204 O PHE A 22 14.971 2.155 6.284 1.00 17.87 O ATOM 205 CB PHE A 22 14.254 4.436 3.995 1.00 16.85 C ATOM 206 CG PHE A 22 13.293 4.755 5.106 1.00 18.59 C ATOM 207 CD1 PHE A 22 13.719 5.435 6.238 1.00 18.79 C ATOM 208 CD2 PHE A 22 11.962 4.378 5.018 1.00 19.57 C ATOM 209 CE1 PHE A 22 12.838 5.733 7.261 1.00 16.83 C ATOM 210 CE2 PHE A 22 11.072 4.677 6.037 1.00 22.87 C ATOM 211 CZ PHE A 22 11.514 5.352 7.162 1.00 16.92 C ATOM 212 H PHE A 22 16.089 3.746 2.372 1.00 0.00 H ATOM 213 N ILE A 23 14.759 1.308 4.202 1.00 17.62 N ATOM 214 CA ILE A 23 14.283 0.003 4.667 1.00 20.84 C ATOM 215 C ILE A 23 15.405 -1.002 4.923 1.00 20.37 C ATOM 216 O ILE A 23 15.493 -1.579 6.010 1.00 24.94 O ATOM 217 CB ILE A 23 13.274 -0.618 3.678 1.00 20.63 C ATOM 218 CG1 ILE A 23 12.008 0.244 3.573 1.00 19.67 C ATOM 219 CG2 ILE A 23 12.943 -2.040 4.085 1.00 20.89 C ATOM 220 CD1 ILE A 23 11.276 0.463 4.882 1.00 21.87 C ATOM 221 H ILE A 23 14.885 1.470 3.182 1.00 0.00 H ATOM 222 N LEU A 24 16.257 -1.204 3.921 1.00 20.75 N ATOM 223 CA LEU A 24 17.240 -2.283 3.949 1.00 21.69 C ATOM 224 C LEU A 24 18.558 -1.913 4.628 1.00 26.00 C ATOM 225 O LEU A 24 19.410 -2.777 4.842 1.00 28.50 O ATOM 226 CB LEU A 24 17.517 -2.780 2.531 1.00 22.13 C ATOM 227 CG LEU A 24 16.344 -3.374 1.750 1.00 22.33 C ATOM 228 CD1 LEU A 24 16.868 -4.017 0.476 1.00 19.42 C ATOM 229 CD2 LEU A 24 15.578 -4.388 2.591 1.00 18.92 C ATOM 230 H LEU A 24 16.222 -0.575 3.094 1.00 0.00 H ATOM 231 N ASP A 25 18.737 -0.636 4.953 1.00 22.79 N ATOM 232 CA ASP A 25 19.946 -0.217 5.652 1.00 19.59 C ATOM 233 C ASP A 25 19.623 0.712 6.815 1.00 19.71 C ATOM 234 O ASP A 25 20.434 1.569 7.185 1.00 15.08 O ATOM 235 CB ASP A 25 20.945 0.440 4.687 1.00 18.43 C ATOM 236 CG ASP A 25 22.392 0.286 5.156 1.00 22.44 C ATOM 237 OD1 ASP A 25 22.686 -0.708 5.848 1.00 24.09 O ATOM 238 OD2 ASP A 25 23.238 1.150 4.842 1.00 24.05 O ATOM 239 H ASP A 25 18.011 0.067 4.707 1.00 0.00 H ATOM 240 N GLY A 26 18.434 0.532 7.390 1.00 19.48 N ATOM 241 CA GLY A 26 18.022 1.281 8.570 1.00 18.45 C ATOM 242 C GLY A 26 18.940 1.020 9.756 1.00 21.52 C ATOM 243 O GLY A 26 19.088 1.877 10.633 1.00 22.05 O ATOM 244 H GLY A 26 17.779 -0.166 6.983 1.00 0.00 H ATOM 245 N ASP A 27 19.557 -0.164 9.771 1.00 19.85 N ATOM 246 CA ASP A 27 20.518 -0.563 10.804 1.00 18.72 C ATOM 247 C ASP A 27 21.658 0.437 10.927 1.00 15.90 C ATOM 248 O ASP A 27 22.092 0.772 12.028 1.00 18.18 O ATOM 249 CB ASP A 27 21.114 -1.936 10.480 1.00 23.72 C ATOM 250 CG ASP A 27 20.108 -3.059 10.604 1.00 30.11 C ATOM 251 OD1 ASP A 27 18.972 -2.801 11.053 1.00 32.78 O ATOM 252 OD2 ASP A 27 20.459 -4.209 10.253 1.00 31.95 O ATOM 253 H ASP A 27 19.345 -0.839 9.009 1.00 0.00 H ATOM 254 N ASN A 28 22.141 0.892 9.778 1.00 18.33 N ATOM 255 CA ASN A 28 23.262 1.818 9.710 1.00 16.39 C ATOM 256 C ASN A 28 22.826 3.283 9.753 1.00 15.55 C ATOM 257 O ASN A 28 23.434 4.104 10.435 1.00 16.05 O ATOM 258 CB ASN A 28 24.073 1.548 8.438 1.00 17.23 C ATOM 259 CG ASN A 28 25.155 2.583 8.199 1.00 17.20 C ATOM 260 OD1 ASN A 28 25.830 3.022 9.132 1.00 16.80 O ATOM 261 ND2 ASN A 28 25.324 2.981 6.945 1.00 17.62 N ATOM 262 HD22 ASN A 28 24.731 2.583 6.189 1.00 0.00 H ATOM 263 HD21 ASN A 28 26.049 3.691 6.718 1.00 0.00 H ATOM 264 H ASN A 28 21.701 0.574 8.891 1.00 0.00 H ATOM 265 N LEU A 29 21.769 3.606 9.019 1.00 14.56 N ATOM 266 CA LEU A 29 21.382 5.000 8.829 1.00 13.25 C ATOM 267 C LEU A 29 20.690 5.646 10.022 1.00 11.61 C ATOM 268 O LEU A 29 21.006 6.781 10.368 1.00 11.02 O ATOM 269 CB LEU A 29 20.522 5.141 7.566 1.00 11.91 C ATOM 270 CG LEU A 29 21.289 4.927 6.253 1.00 15.56 C ATOM 271 CD1 LEU A 29 20.400 5.243 5.058 1.00 11.99 C ATOM 272 CD2 LEU A 29 22.559 5.771 6.219 1.00 12.84 C ATOM 273 H LEU A 29 21.207 2.854 8.572 1.00 0.00 H ATOM 274 N PHE A 30 19.748 4.939 10.644 1.00 11.66 N ATOM 275 CA PHE A 30 18.950 5.527 11.730 1.00 12.19 C ATOM 276 C PHE A 30 19.798 6.090 12.879 1.00 11.35 C ATOM 277 O PHE A 30 19.577 7.231 13.302 1.00 11.15 O ATOM 278 CB PHE A 30 17.905 4.533 12.266 1.00 15.28 C ATOM 279 CG PHE A 30 16.836 4.165 11.267 1.00 15.90 C ATOM 280 CD1 PHE A 30 16.520 5.014 10.215 1.00 14.17 C ATOM 281 CD2 PHE A 30 16.135 2.965 11.388 1.00 17.34 C ATOM 282 CE1 PHE A 30 15.536 4.680 9.298 1.00 14.58 C ATOM 283 CE2 PHE A 30 15.149 2.625 10.475 1.00 17.07 C ATOM 284 CZ PHE A 30 14.846 3.484 9.432 1.00 18.38 C ATOM 285 H PHE A 30 19.574 3.955 10.357 1.00 0.00 H ATOM 286 N PRO A 31 20.763 5.306 13.396 1.00 10.81 N ATOM 287 CA PRO A 31 21.596 5.890 14.461 1.00 11.79 C ATOM 288 C PRO A 31 22.495 7.017 13.944 1.00 13.08 C ATOM 289 O PRO A 31 22.917 7.881 14.714 1.00 12.73 O ATOM 290 CB PRO A 31 22.459 4.709 14.917 1.00 11.15 C ATOM 291 CG PRO A 31 21.736 3.485 14.444 1.00 13.03 C ATOM 292 CD PRO A 31 21.127 3.900 13.142 1.00 12.29 C ATOM 293 N LYS A 32 22.784 6.993 12.650 1.00 12.10 N ATOM 294 CA LYS A 32 23.689 7.959 12.043 1.00 14.12 C ATOM 295 C LYS A 32 22.990 9.280 11.735 1.00 13.11 C ATOM 296 O LYS A 32 23.506 10.345 12.068 1.00 13.72 O ATOM 297 CB LYS A 32 24.303 7.380 10.763 1.00 11.86 C ATOM 298 CG LYS A 32 25.085 8.402 9.940 1.00 17.66 C ATOM 299 CD LYS A 32 25.476 7.855 8.573 1.00 18.50 C ATOM 300 CE LYS A 32 26.629 6.871 8.697 1.00 21.43 C ATOM 301 NZ LYS A 32 26.947 6.216 7.395 1.00 23.31 N ATOM 302 HZ1 LYS A 32 26.112 5.697 7.056 1.00 0.00 H ATOM 303 HZ2 LYS A 32 27.212 6.942 6.699 1.00 0.00 H ATOM 304 HZ3 LYS A 32 27.738 5.554 7.526 1.00 0.00 H ATOM 305 H LYS A 32 22.351 6.262 12.050 1.00 0.00 H ATOM 306 N VAL A 33 21.822 9.208 11.095 1.00 11.52 N ATOM 307 CA VAL A 33 21.143 10.419 10.616 1.00 12.71 C ATOM 308 C VAL A 33 20.138 10.992 11.617 1.00 12.97 C ATOM 309 O VAL A 33 19.815 12.180 11.569 1.00 17.95 O ATOM 310 CB VAL A 33 20.447 10.193 9.251 1.00 12.72 C ATOM 311 CG1 VAL A 33 21.427 9.593 8.256 1.00 15.64 C ATOM 312 CG2 VAL A 33 19.207 9.315 9.390 1.00 10.30 C ATOM 313 H VAL A 33 21.385 8.279 10.932 1.00 0.00 H ATOM 314 N ALA A 34 19.655 10.148 12.525 1.00 12.94 N ATOM 315 CA ALA A 34 18.672 10.568 13.509 1.00 13.78 C ATOM 316 C ALA A 34 19.024 10.047 14.905 1.00 14.54 C ATOM 317 O ALA A 34 18.247 9.302 15.499 1.00 12.92 O ATOM 318 CB ALA A 34 17.280 10.105 13.094 1.00 11.48 C ATOM 319 H ALA A 34 19.989 9.163 12.531 1.00 0.00 H ATOM 320 N PRO A 35 20.201 10.442 15.430 1.00 16.76 N ATOM 321 CA PRO A 35 20.679 9.895 16.706 1.00 16.93 C ATOM 322 C PRO A 35 19.791 10.259 17.892 1.00 17.84 C ATOM 323 O PRO A 35 19.784 9.543 18.893 1.00 20.44 O ATOM 324 CB PRO A 35 22.066 10.522 16.858 1.00 15.38 C ATOM 325 CG PRO A 35 21.982 11.797 16.104 1.00 15.96 C ATOM 326 CD PRO A 35 21.117 11.474 14.908 1.00 16.74 C ATOM 327 N GLN A 36 19.039 11.349 17.771 1.00 17.59 N ATOM 328 CA GLN A 36 18.140 11.771 18.840 1.00 21.93 C ATOM 329 C GLN A 36 16.759 11.141 18.697 1.00 21.19 C ATOM 330 O GLN A 36 15.873 11.387 19.516 1.00 21.32 O ATOM 331 CB GLN A 36 18.040 13.295 18.905 1.00 23.47 C ATOM 332 CG GLN A 36 19.281 13.958 19.488 1.00 26.98 C ATOM 333 CD GLN A 36 20.390 14.136 18.465 1.00 28.42 C ATOM 334 OE1 GLN A 36 20.136 14.494 17.309 1.00 32.11 O ATOM 335 NE2 GLN A 36 21.627 13.888 18.883 1.00 30.14 N ATOM 336 HE22 GLN A 36 21.794 13.589 19.865 1.00 0.00 H ATOM 337 HE21 GLN A 36 22.428 13.993 18.228 1.00 0.00 H ATOM 338 H GLN A 36 19.093 11.911 16.898 1.00 0.00 H ATOM 339 N ALA A 37 16.595 10.324 17.659 1.00 17.15 N ATOM 340 CA ALA A 37 15.404 9.489 17.489 1.00 17.44 C ATOM 341 C ALA A 37 15.711 8.023 17.842 1.00 17.35 C ATOM 342 O ALA A 37 14.915 7.347 18.495 1.00 16.03 O ATOM 343 CB ALA A 37 14.880 9.599 16.064 1.00 14.59 C ATOM 344 H ALA A 37 17.344 10.277 16.939 1.00 0.00 H ATOM 345 N ILE A 38 16.872 7.542 17.406 1.00 15.05 N ATOM 346 CA ILE A 38 17.317 6.174 17.686 1.00 12.61 C ATOM 347 C ILE A 38 18.801 6.170 18.047 1.00 13.41 C ATOM 348 O ILE A 38 19.634 6.646 17.269 1.00 13.27 O ATOM 349 CB ILE A 38 17.052 5.227 16.495 1.00 13.50 C ATOM 350 CG1 ILE A 38 15.540 5.036 16.287 1.00 12.12 C ATOM 351 CG2 ILE A 38 17.772 3.887 16.689 1.00 11.25 C ATOM 352 CD1 ILE A 38 15.159 4.033 15.213 1.00 15.66 C ATOM 353 H ILE A 38 17.489 8.162 16.843 1.00 0.00 H ATOM 354 N SER A 39 19.127 5.642 19.229 1.00 12.96 N ATOM 355 CA SER A 39 20.506 5.652 19.715 1.00 13.85 C ATOM 356 C SER A 39 21.354 4.542 19.077 1.00 14.67 C ATOM 357 O SER A 39 22.506 4.767 18.708 1.00 14.27 O ATOM 358 CB SER A 39 20.561 5.585 21.253 1.00 14.03 C ATOM 359 OG SER A 39 19.997 4.383 21.741 1.00 19.29 O ATOM 360 HG SER A 39 19.050 4.326 21.458 1.00 0.00 H ATOM 361 H SER A 39 18.384 5.214 19.817 1.00 0.00 H ATOM 362 N SER A 40 20.781 3.353 18.933 1.00 13.43 N ATOM 363 CA SER A 40 21.517 2.241 18.335 1.00 16.97 C ATOM 364 C SER A 40 20.602 1.153 17.780 1.00 12.92 C ATOM 365 O SER A 40 19.433 1.051 18.166 1.00 12.92 O ATOM 366 CB SER A 40 22.505 1.643 19.342 1.00 14.34 C ATOM 367 OG SER A 40 21.830 0.875 20.328 1.00 14.16 O ATOM 368 HG SER A 40 21.338 0.136 19.890 1.00 0.00 H ATOM 369 H SER A 40 19.800 3.212 19.248 1.00 0.00 H ATOM 370 N VAL A 41 21.146 0.360 16.859 1.00 12.89 N ATOM 371 CA VAL A 41 20.452 -0.797 16.301 1.00 12.55 C ATOM 372 C VAL A 41 21.384 -2.001 16.374 1.00 13.50 C ATOM 373 O VAL A 41 22.514 -1.955 15.876 1.00 13.74 O ATOM 374 CB VAL A 41 20.011 -0.564 14.840 1.00 14.80 C ATOM 375 CG1 VAL A 41 19.269 -1.783 14.302 1.00 14.19 C ATOM 376 CG2 VAL A 41 19.146 0.684 14.727 1.00 11.44 C ATOM 377 H VAL A 41 22.107 0.574 16.523 1.00 0.00 H ATOM 378 N GLU A 42 20.903 -3.072 16.995 1.00 12.22 N ATOM 379 CA GLU A 42 21.706 -4.269 17.238 1.00 15.48 C ATOM 380 C GLU A 42 21.082 -5.501 16.587 1.00 15.60 C ATOM 381 O GLU A 42 19.935 -5.844 16.871 1.00 16.33 O ATOM 382 CB GLU A 42 21.855 -4.507 18.743 1.00 16.75 C ATOM 383 CG GLU A 42 22.469 -5.854 19.104 1.00 19.33 C ATOM 384 CD GLU A 42 22.601 -6.056 20.600 1.00 23.18 C ATOM 385 OE1 GLU A 42 21.965 -5.302 21.361 1.00 26.10 O ATOM 386 OE2 GLU A 42 23.338 -6.976 21.020 1.00 25.64 O ATOM 387 H GLU A 42 19.916 -3.058 17.321 1.00 0.00 H ATOM 388 N ASN A 43 21.847 -6.157 15.720 1.00 16.14 N ATOM 389 CA ASN A 43 21.449 -7.433 15.132 1.00 16.47 C ATOM 390 C ASN A 43 21.627 -8.575 16.137 1.00 15.92 C ATOM 391 O ASN A 43 22.749 -9.005 16.402 1.00 16.31 O ATOM 392 CB ASN A 43 22.259 -7.692 13.853 1.00 16.35 C ATOM 393 CG ASN A 43 21.809 -8.931 13.109 1.00 23.80 C ATOM 394 OD1 ASN A 43 22.125 -10.057 13.502 1.00 24.78 O ATOM 395 ND2 ASN A 43 21.087 -8.731 12.010 1.00 21.97 N ATOM 396 HD22 ASN A 43 20.844 -7.763 11.716 1.00 0.00 H ATOM 397 HD21 ASN A 43 20.765 -9.542 11.444 1.00 0.00 H ATOM 398 H ASN A 43 22.763 -5.746 15.450 1.00 0.00 H ATOM 399 N ILE A 44 20.519 -9.051 16.702 1.00 16.23 N ATOM 400 CA ILE A 44 20.556 -10.147 17.672 1.00 17.09 C ATOM 401 C ILE A 44 20.838 -11.476 16.972 1.00 17.17 C ATOM 402 O ILE A 44 21.639 -12.275 17.447 1.00 17.61 O ATOM 403 CB ILE A 44 19.239 -10.268 18.489 1.00 16.63 C ATOM 404 CG1 ILE A 44 18.902 -8.959 19.226 1.00 16.93 C ATOM 405 CG2 ILE A 44 19.317 -11.426 19.478 1.00 16.51 C ATOM 406 CD1 ILE A 44 19.848 -8.600 20.357 1.00 19.83 C ATOM 407 H ILE A 44 19.602 -8.632 16.447 1.00 0.00 H ATOM 408 N GLU A 45 20.164 -11.701 15.845 1.00 20.86 N ATOM 409 CA GLU A 45 20.301 -12.938 15.082 1.00 24.61 C ATOM 410 C GLU A 45 19.763 -12.745 13.660 1.00 23.69 C ATOM 411 O GLU A 45 18.795 -12.012 13.453 1.00 20.00 O ATOM 412 CB GLU A 45 19.562 -14.085 15.792 1.00 22.81 C ATOM 413 CG GLU A 45 19.796 -15.467 15.199 1.00 28.34 C ATOM 414 CD GLU A 45 21.220 -15.972 15.385 1.00 36.87 C ATOM 415 OE1 GLU A 45 21.910 -15.525 16.328 1.00 37.89 O ATOM 416 OE2 GLU A 45 21.652 -16.826 14.583 1.00 35.37 O ATOM 417 H GLU A 45 19.515 -10.967 15.495 1.00 0.00 H ATOM 418 N GLY A 46 20.422 -13.368 12.693 1.00 20.24 N ATOM 419 CA GLY A 46 19.977 -13.395 11.316 1.00 22.93 C ATOM 420 C GLY A 46 20.652 -12.374 10.428 1.00 22.67 C ATOM 421 O GLY A 46 21.428 -11.577 10.872 1.00 20.86 O ATOM 422 H GLY A 46 21.304 -13.863 12.936 1.00 0.00 H ATOM 423 N ASN A 47 20.317 -12.424 9.148 1.00 27.47 N ATOM 424 CA ASN A 47 20.935 -11.613 8.111 1.00 30.16 C ATOM 425 C ASN A 47 20.277 -10.261 7.818 1.00 31.96 C ATOM 426 O ASN A 47 20.935 -9.258 7.608 1.00 31.58 O ATOM 427 CB ASN A 47 20.950 -12.408 6.802 1.00 27.94 C ATOM 428 CG ASN A 47 22.206 -13.220 6.638 1.00 35.23 C ATOM 429 OD1 ASN A 47 22.153 -14.340 6.191 1.00 37.65 O ATOM 430 ND2 ASN A 47 23.361 -12.645 6.998 1.00 36.33 N ATOM 431 HD22 ASN A 47 23.364 -11.677 7.379 1.00 0.00 H ATOM 432 HD21 ASN A 47 24.255 -13.166 6.896 1.00 0.00 H ATOM 433 H ASN A 47 19.565 -13.085 8.867 1.00 0.00 H ATOM 434 N GLY A 48 18.965 -10.296 7.787 1.00 27.59 N ATOM 435 CA GLY A 48 18.119 -9.242 7.295 1.00 22.73 C ATOM 436 C GLY A 48 16.909 -9.921 6.692 1.00 25.03 C ATOM 437 O GLY A 48 15.868 -9.312 6.567 1.00 29.02 O ATOM 438 H GLY A 48 18.500 -11.154 8.147 1.00 0.00 H ATOM 439 N GLY A 49 17.044 -11.185 6.325 1.00 18.97 N ATOM 440 CA GLY A 49 15.924 -11.938 5.814 1.00 20.13 C ATOM 441 C GLY A 49 14.923 -12.257 6.903 1.00 20.48 C ATOM 442 O GLY A 49 15.156 -11.952 8.065 1.00 17.93 O ATOM 443 H GLY A 49 17.974 -11.644 6.406 1.00 0.00 H ATOM 444 N PRO A 50 13.798 -12.869 6.512 1.00 19.72 N ATOM 445 CA PRO A 50 12.795 -13.307 7.481 1.00 16.36 C ATOM 446 C PRO A 50 13.418 -13.976 8.706 1.00 18.01 C ATOM 447 O PRO A 50 14.327 -14.807 8.573 1.00 18.05 O ATOM 448 CB PRO A 50 11.973 -14.317 6.686 1.00 16.04 C ATOM 449 CG PRO A 50 12.045 -13.815 5.285 1.00 18.76 C ATOM 450 CD PRO A 50 13.419 -13.223 5.130 1.00 17.23 C ATOM 451 N GLY A 51 12.931 -13.605 9.884 1.00 15.82 N ATOM 452 CA GLY A 51 13.426 -14.160 11.130 1.00 12.48 C ATOM 453 C GLY A 51 14.495 -13.348 11.843 1.00 16.20 C ATOM 454 O GLY A 51 14.742 -13.571 13.023 1.00 13.15 O ATOM 455 H GLY A 51 12.172 -12.895 9.915 1.00 0.00 H ATOM 456 N THR A 52 15.137 -12.420 11.135 1.00 13.43 N ATOM 457 CA THR A 52 16.160 -11.567 11.746 1.00 15.90 C ATOM 458 C THR A 52 15.587 -10.787 12.929 1.00 14.16 C ATOM 459 O THR A 52 14.530 -10.161 12.815 1.00 14.10 O ATOM 460 CB THR A 52 16.780 -10.592 10.721 1.00 14.45 C ATOM 461 OG1 THR A 52 17.532 -11.336 9.755 1.00 19.66 O ATOM 462 CG2 THR A 52 17.714 -9.587 11.405 1.00 15.09 C ATOM 463 HG1 THR A 52 16.932 -11.970 9.289 1.00 0.00 H ATOM 464 H THR A 52 14.907 -12.298 10.128 1.00 0.00 H ATOM 465 N ILE A 53 16.285 -10.846 14.062 1.00 13.98 N ATOM 466 CA ILE A 53 15.882 -10.127 15.270 1.00 13.17 C ATOM 467 C ILE A 53 16.817 -8.943 15.503 1.00 14.97 C ATOM 468 O ILE A 53 18.040 -9.106 15.543 1.00 17.64 O ATOM 469 CB ILE A 53 15.908 -11.034 16.517 1.00 14.94 C ATOM 470 CG1 ILE A 53 15.166 -12.353 16.262 1.00 17.56 C ATOM 471 CG2 ILE A 53 15.352 -10.292 17.732 1.00 13.13 C ATOM 472 CD1 ILE A 53 13.697 -12.201 15.914 1.00 16.50 C ATOM 473 H ILE A 53 17.149 -11.425 14.088 1.00 0.00 H ATOM 474 N LYS A 54 16.237 -7.754 15.651 1.00 13.22 N ATOM 475 CA LYS A 54 17.012 -6.543 15.904 1.00 13.22 C ATOM 476 C LYS A 54 16.502 -5.853 17.162 1.00 15.25 C ATOM 477 O LYS A 54 15.309 -5.884 17.448 1.00 12.48 O ATOM 478 CB LYS A 54 16.928 -5.581 14.718 1.00 12.94 C ATOM 479 CG LYS A 54 17.503 -6.131 13.433 1.00 13.76 C ATOM 480 CD LYS A 54 17.294 -5.163 12.284 1.00 19.47 C ATOM 481 CE LYS A 54 17.663 -5.809 10.958 1.00 17.74 C ATOM 482 NZ LYS A 54 17.500 -4.857 9.829 1.00 20.06 N ATOM 483 HZ1 LYS A 54 16.509 -4.545 9.781 1.00 0.00 H ATOM 484 HZ2 LYS A 54 18.117 -4.034 9.979 1.00 0.00 H ATOM 485 HZ3 LYS A 54 17.760 -5.329 8.939 1.00 0.00 H ATOM 486 H LYS A 54 15.201 -7.686 15.584 1.00 0.00 H ATOM 487 N LYS A 55 17.416 -5.246 17.914 1.00 12.71 N ATOM 488 CA LYS A 55 17.059 -4.498 19.116 1.00 12.14 C ATOM 489 C LYS A 55 17.330 -3.020 18.876 1.00 13.13 C ATOM 490 O LYS A 55 18.479 -2.615 18.685 1.00 10.03 O ATOM 491 CB LYS A 55 17.848 -5.017 20.323 1.00 12.66 C ATOM 492 CG LYS A 55 17.491 -4.349 21.639 1.00 18.23 C ATOM 493 CD LYS A 55 18.279 -4.946 22.792 1.00 15.18 C ATOM 494 CE LYS A 55 18.074 -4.133 24.062 1.00 20.13 C ATOM 495 NZ LYS A 55 18.841 -4.711 25.201 1.00 25.37 N ATOM 496 HZ1 LYS A 55 18.520 -5.685 25.374 1.00 0.00 H ATOM 497 HZ2 LYS A 55 19.855 -4.715 24.968 1.00 0.00 H ATOM 498 HZ3 LYS A 55 18.681 -4.135 26.052 1.00 0.00 H ATOM 499 H LYS A 55 18.417 -5.306 17.637 1.00 0.00 H ATOM 500 N ILE A 56 16.259 -2.226 18.863 1.00 10.86 N ATOM 501 CA ILE A 56 16.354 -0.789 18.632 1.00 10.40 C ATOM 502 C ILE A 56 16.252 -0.047 19.956 1.00 12.99 C ATOM 503 O ILE A 56 15.188 -0.037 20.586 1.00 13.45 O ATOM 504 CB ILE A 56 15.241 -0.284 17.681 1.00 11.33 C ATOM 505 CG1 ILE A 56 15.331 -0.964 16.315 1.00 11.60 C ATOM 506 CG2 ILE A 56 15.300 1.223 17.523 1.00 10.98 C ATOM 507 CD1 ILE A 56 14.496 -2.226 16.206 1.00 18.42 C ATOM 508 H ILE A 56 15.322 -2.647 19.023 1.00 0.00 H ATOM 509 N SER A 57 17.357 0.573 20.368 1.00 12.58 N ATOM 510 CA SER A 57 17.390 1.344 21.604 1.00 14.81 C ATOM 511 C SER A 57 17.094 2.812 21.322 1.00 16.00 C ATOM 512 O SER A 57 17.532 3.361 20.307 1.00 18.13 O ATOM 513 CB SER A 57 18.745 1.203 22.304 1.00 13.87 C ATOM 514 OG SER A 57 19.013 -0.148 22.639 1.00 13.21 O ATOM 515 HG SER A 57 19.025 -0.695 21.814 1.00 0.00 H ATOM 516 H SER A 57 18.220 0.505 19.791 1.00 0.00 H ATOM 517 N PHE A 58 16.343 3.439 22.222 1.00 14.62 N ATOM 518 CA PHE A 58 15.959 4.839 22.066 1.00 16.42 C ATOM 519 C PHE A 58 16.804 5.720 22.987 1.00 17.38 C ATOM 520 O PHE A 58 17.368 5.222 23.964 1.00 14.61 O ATOM 521 CB PHE A 58 14.457 5.016 22.328 1.00 15.77 C ATOM 522 CG PHE A 58 13.594 4.129 21.478 1.00 13.98 C ATOM 523 CD1 PHE A 58 13.417 4.404 20.123 1.00 14.79 C ATOM 524 CD2 PHE A 58 12.979 3.008 22.021 1.00 13.43 C ATOM 525 CE1 PHE A 58 12.635 3.576 19.326 1.00 16.48 C ATOM 526 CE2 PHE A 58 12.192 2.176 21.232 1.00 13.47 C ATOM 527 CZ PHE A 58 12.022 2.461 19.883 1.00 15.41 C ATOM 528 H PHE A 58 16.020 2.917 23.062 1.00 0.00 H ATOM 529 N PRO A 59 16.916 7.028 22.670 1.00 16.79 N ATOM 530 CA PRO A 59 17.726 7.918 23.513 1.00 15.92 C ATOM 531 C PRO A 59 17.172 8.007 24.928 1.00 18.00 C ATOM 532 O PRO A 59 16.008 7.679 25.150 1.00 16.25 O ATOM 533 CB PRO A 59 17.616 9.280 22.807 1.00 17.41 C ATOM 534 CG PRO A 59 17.200 8.961 21.408 1.00 18.41 C ATOM 535 CD PRO A 59 16.357 7.728 21.501 1.00 15.08 C ATOM 536 N GLU A 60 18.001 8.434 25.875 1.00 16.51 N ATOM 537 CA GLU A 60 17.539 8.672 27.232 1.00 17.66 C ATOM 538 C GLU A 60 16.384 9.667 27.223 1.00 17.05 C ATOM 539 O GLU A 60 16.389 10.617 26.443 1.00 17.14 O ATOM 540 CB GLU A 60 18.682 9.211 28.089 1.00 19.91 C ATOM 541 CG GLU A 60 18.286 9.468 29.532 1.00 23.11 C ATOM 542 CD GLU A 60 19.470 9.755 30.418 1.00 29.80 C ATOM 543 OE1 GLU A 60 20.565 10.022 29.878 1.00 32.79 O ATOM 544 OE2 GLU A 60 19.303 9.708 31.658 1.00 31.72 O ATOM 545 H GLU A 60 19.000 8.601 25.640 1.00 0.00 H ATOM 546 N GLY A 61 15.393 9.435 28.078 1.00 17.90 N ATOM 547 CA GLY A 61 14.253 10.338 28.195 1.00 17.43 C ATOM 548 C GLY A 61 13.082 9.982 27.295 1.00 18.67 C ATOM 549 O GLY A 61 12.021 10.612 27.358 1.00 19.19 O ATOM 550 H GLY A 61 15.431 8.587 28.679 1.00 0.00 H ATOM 551 N PHE A 62 13.269 8.978 26.446 1.00 18.35 N ATOM 552 CA PHE A 62 12.185 8.491 25.601 1.00 19.74 C ATOM 553 C PHE A 62 11.210 7.601 26.376 1.00 17.41 C ATOM 554 O PHE A 62 11.604 6.957 27.343 1.00 16.47 O ATOM 555 CB PHE A 62 12.746 7.773 24.369 1.00 19.70 C ATOM 556 CG PHE A 62 12.883 8.670 23.175 1.00 21.90 C ATOM 557 CD1 PHE A 62 13.576 9.876 23.272 1.00 24.58 C ATOM 558 CD2 PHE A 62 12.312 8.324 21.959 1.00 22.48 C ATOM 559 CE1 PHE A 62 13.699 10.715 22.173 1.00 24.01 C ATOM 560 CE2 PHE A 62 12.431 9.159 20.859 1.00 21.41 C ATOM 561 CZ PHE A 62 13.125 10.355 20.968 1.00 22.94 C ATOM 562 H PHE A 62 14.206 8.531 26.383 1.00 0.00 H ATOM 563 N PRO A 63 9.932 7.565 25.945 1.00 17.72 N ATOM 564 CA PRO A 63 8.891 6.802 26.644 1.00 18.79 C ATOM 565 C PRO A 63 9.234 5.324 26.806 1.00 16.57 C ATOM 566 O PRO A 63 8.810 4.706 27.776 1.00 16.67 O ATOM 567 CB PRO A 63 7.665 6.963 25.734 1.00 17.28 C ATOM 568 CG PRO A 63 7.917 8.218 24.978 1.00 17.46 C ATOM 569 CD PRO A 63 9.398 8.233 24.746 1.00 17.57 C ATOM 570 N PHE A 64 9.987 4.777 25.853 1.00 15.99 N ATOM 571 CA PHE A 64 10.409 3.379 25.881 1.00 14.45 C ATOM 572 C PHE A 64 11.932 3.284 25.852 1.00 13.95 C ATOM 573 O PHE A 64 12.606 4.116 25.244 1.00 14.63 O ATOM 574 CB PHE A 64 9.840 2.613 24.682 1.00 17.65 C ATOM 575 CG PHE A 64 8.338 2.616 24.602 1.00 17.94 C ATOM 576 CD1 PHE A 64 7.563 2.422 25.738 1.00 15.52 C ATOM 577 CD2 PHE A 64 7.701 2.785 23.378 1.00 18.21 C ATOM 578 CE1 PHE A 64 6.180 2.418 25.660 1.00 19.41 C ATOM 579 CE2 PHE A 64 6.315 2.779 23.295 1.00 21.00 C ATOM 580 CZ PHE A 64 5.555 2.598 24.439 1.00 17.43 C ATOM 581 H PHE A 64 10.288 5.371 25.054 1.00 0.00 H ATOM 582 N LYS A 65 12.466 2.258 26.506 1.00 10.85 N ATOM 583 CA LYS A 65 13.896 1.996 26.497 1.00 13.61 C ATOM 584 C LYS A 65 14.346 1.384 25.165 1.00 14.68 C ATOM 585 O LYS A 65 15.375 1.767 24.611 1.00 13.93 O ATOM 586 CB LYS A 65 14.270 1.071 27.653 1.00 14.34 C ATOM 587 CG LYS A 65 15.759 0.783 27.759 1.00 15.01 C ATOM 588 CD LYS A 65 16.059 -0.047 29.001 1.00 18.39 C ATOM 589 CE LYS A 65 17.534 -0.391 29.101 1.00 20.84 C ATOM 590 NZ LYS A 65 17.795 -1.310 30.249 1.00 21.41 N ATOM 591 HZ1 LYS A 65 17.499 -0.850 31.134 1.00 0.00 H ATOM 592 HZ2 LYS A 65 17.256 -2.189 30.117 1.00 0.00 H ATOM 593 HZ3 LYS A 65 18.811 -1.528 30.293 1.00 0.00 H ATOM 594 H LYS A 65 11.841 1.622 27.041 1.00 0.00 H ATOM 595 N TYR A 66 13.568 0.433 24.659 1.00 11.28 N ATOM 596 CA TYR A 66 13.903 -0.254 23.418 1.00 13.28 C ATOM 597 C TYR A 66 12.720 -1.070 22.913 1.00 11.75 C ATOM 598 O TYR A 66 11.726 -1.235 23.622 1.00 13.08 O ATOM 599 CB TYR A 66 15.111 -1.180 23.635 1.00 10.17 C ATOM 600 CG TYR A 66 14.764 -2.435 24.407 1.00 15.57 C ATOM 601 CD1 TYR A 66 14.832 -2.463 25.797 1.00 13.73 C ATOM 602 CD2 TYR A 66 14.362 -3.595 23.743 1.00 13.02 C ATOM 603 CE1 TYR A 66 14.503 -3.608 26.507 1.00 16.02 C ATOM 604 CE2 TYR A 66 14.039 -4.741 24.440 1.00 15.20 C ATOM 605 CZ TYR A 66 14.107 -4.742 25.820 1.00 16.04 C ATOM 606 OH TYR A 66 13.779 -5.889 26.505 1.00 19.20 O ATOM 607 HH TYR A 66 12.842 -6.136 26.303 1.00 0.00 H ATOM 608 H TYR A 66 12.696 0.172 25.162 1.00 0.00 H ATOM 609 N VAL A 67 12.839 -1.575 21.685 1.00 11.23 N ATOM 610 CA VAL A 67 11.966 -2.648 21.191 1.00 10.15 C ATOM 611 C VAL A 67 12.797 -3.643 20.397 1.00 12.61 C ATOM 612 O VAL A 67 13.852 -3.297 19.857 1.00 13.78 O ATOM 613 CB VAL A 67 10.796 -2.134 20.306 1.00 12.12 C ATOM 614 CG1 VAL A 67 9.734 -1.447 21.157 1.00 10.79 C ATOM 615 CG2 VAL A 67 11.299 -1.215 19.191 1.00 10.03 C ATOM 616 H VAL A 67 13.575 -1.196 21.055 1.00 0.00 H ATOM 617 N LYS A 68 12.323 -4.880 20.338 1.00 11.50 N ATOM 618 CA LYS A 68 12.934 -5.887 19.490 1.00 12.63 C ATOM 619 C LYS A 68 12.008 -6.174 18.323 1.00 12.95 C ATOM 620 O LYS A 68 10.838 -6.508 18.522 1.00 13.59 O ATOM 621 CB LYS A 68 13.212 -7.169 20.270 1.00 11.41 C ATOM 622 CG LYS A 68 14.457 -7.092 21.137 1.00 18.35 C ATOM 623 CD LYS A 68 14.662 -8.363 21.931 1.00 15.01 C ATOM 624 CE LYS A 68 15.794 -8.187 22.925 1.00 20.21 C ATOM 625 NZ LYS A 68 15.980 -9.392 23.772 1.00 22.90 N ATOM 626 HZ1 LYS A 68 15.106 -9.579 24.303 1.00 0.00 H ATOM 627 HZ2 LYS A 68 16.201 -10.209 23.167 1.00 0.00 H ATOM 628 HZ3 LYS A 68 16.763 -9.229 24.437 1.00 0.00 H ATOM 629 H LYS A 68 11.494 -5.134 20.913 1.00 0.00 H ATOM 630 N ASP A 69 12.532 -6.017 17.113 1.00 12.37 N ATOM 631 CA ASP A 69 11.758 -6.265 15.899 1.00 14.04 C ATOM 632 C ASP A 69 12.200 -7.559 15.240 1.00 15.17 C ATOM 633 O ASP A 69 13.377 -7.932 15.297 1.00 15.42 O ATOM 634 CB ASP A 69 11.907 -5.114 14.899 1.00 13.93 C ATOM 635 CG ASP A 69 11.250 -3.832 15.375 1.00 14.37 C ATOM 636 OD1 ASP A 69 10.455 -3.880 16.340 1.00 14.75 O ATOM 637 OD2 ASP A 69 11.534 -2.775 14.780 1.00 15.09 O ATOM 638 H ASP A 69 13.522 -5.709 17.027 1.00 0.00 H ATOM 639 N ARG A 70 11.240 -8.242 14.622 1.00 12.51 N ATOM 640 CA ARG A 70 11.505 -9.448 13.852 1.00 12.85 C ATOM 641 C ARG A 70 11.129 -9.179 12.402 1.00 13.41 C ATOM 642 O ARG A 70 10.006 -8.746 12.108 1.00 13.64 O ATOM 643 CB ARG A 70 10.695 -10.628 14.399 1.00 13.48 C ATOM 644 CG ARG A 70 10.893 -11.944 13.658 1.00 14.45 C ATOM 645 CD ARG A 70 9.821 -12.951 14.063 1.00 16.17 C ATOM 646 NE ARG A 70 8.487 -12.471 13.704 1.00 14.94 N ATOM 647 CZ ARG A 70 7.347 -12.930 14.219 1.00 19.71 C ATOM 648 NH1 ARG A 70 7.362 -13.894 15.129 1.00 20.45 N ATOM 649 NH2 ARG A 70 6.185 -12.419 13.817 1.00 18.21 N ATOM 650 HE ARG A 70 8.423 -11.714 12.993 1.00 0.00 H ATOM 651 HH12 ARG A 70 6.468 -14.248 15.527 1.00 0.00 H ATOM 652 HH11 ARG A 70 8.267 -14.297 15.445 1.00 0.00 H ATOM 653 HH22 ARG A 70 5.294 -12.776 14.217 1.00 0.00 H ATOM 654 HH21 ARG A 70 6.169 -11.663 13.103 1.00 0.00 H ATOM 655 H ARG A 70 10.260 -7.900 14.692 1.00 0.00 H ATOM 656 N VAL A 71 12.074 -9.417 11.505 1.00 11.49 N ATOM 657 CA VAL A 71 11.818 -9.305 10.076 1.00 11.25 C ATOM 658 C VAL A 71 10.888 -10.433 9.657 1.00 11.70 C ATOM 659 O VAL A 71 11.189 -11.610 9.872 1.00 13.77 O ATOM 660 CB VAL A 71 13.121 -9.362 9.264 1.00 12.41 C ATOM 661 CG1 VAL A 71 12.826 -9.355 7.768 1.00 12.87 C ATOM 662 CG2 VAL A 71 14.028 -8.201 9.647 1.00 12.42 C ATOM 663 H VAL A 71 13.023 -9.691 11.830 1.00 0.00 H ATOM 664 N ASP A 72 9.752 -10.066 9.078 1.00 12.55 N ATOM 665 CA ASP A 72 8.771 -11.045 8.621 1.00 14.13 C ATOM 666 C ASP A 72 8.949 -11.417 7.147 1.00 13.43 C ATOM 667 O ASP A 72 9.010 -12.595 6.802 1.00 15.12 O ATOM 668 CB ASP A 72 7.354 -10.536 8.887 1.00 12.81 C ATOM 669 CG ASP A 72 7.071 -10.343 10.368 1.00 12.88 C ATOM 670 OD1 ASP A 72 7.609 -11.114 11.188 1.00 12.96 O ATOM 671 OD2 ASP A 72 6.307 -9.419 10.716 1.00 12.33 O ATOM 672 H ASP A 72 9.555 -9.053 8.946 1.00 0.00 H ATOM 673 N GLU A 73 9.032 -10.414 6.280 1.00 13.39 N ATOM 674 CA GLU A 73 9.131 -10.662 4.847 1.00 13.55 C ATOM 675 C GLU A 73 9.812 -9.500 4.144 1.00 13.68 C ATOM 676 O GLU A 73 9.610 -8.340 4.511 1.00 13.28 O ATOM 677 CB GLU A 73 7.738 -10.880 4.249 1.00 15.27 C ATOM 678 CG GLU A 73 7.714 -11.826 3.066 1.00 16.62 C ATOM 679 CD GLU A 73 6.307 -12.230 2.675 1.00 17.61 C ATOM 680 OE1 GLU A 73 5.549 -11.357 2.200 1.00 18.82 O ATOM 681 OE2 GLU A 73 5.958 -13.420 2.835 1.00 17.48 O ATOM 682 H GLU A 73 9.026 -9.435 6.630 1.00 0.00 H ATOM 683 N VAL A 74 10.619 -9.815 3.134 1.00 15.04 N ATOM 684 CA VAL A 74 11.342 -8.789 2.381 1.00 14.97 C ATOM 685 C VAL A 74 11.206 -9.040 0.888 1.00 16.13 C ATOM 686 O VAL A 74 11.738 -10.018 0.363 1.00 15.22 O ATOM 687 CB VAL A 74 12.840 -8.743 2.743 1.00 13.92 C ATOM 688 CG1 VAL A 74 13.519 -7.578 2.033 1.00 12.86 C ATOM 689 CG2 VAL A 74 13.031 -8.622 4.245 1.00 11.74 C ATOM 690 H VAL A 74 10.739 -10.815 2.873 1.00 0.00 H ATOM 691 N ASP A 75 10.493 -8.144 0.212 1.00 15.92 N ATOM 692 CA ASP A 75 10.246 -8.276 -1.223 1.00 14.99 C ATOM 693 C ASP A 75 10.994 -7.176 -1.977 1.00 14.67 C ATOM 694 O ASP A 75 10.539 -6.033 -2.045 1.00 12.98 O ATOM 695 CB ASP A 75 8.737 -8.215 -1.500 1.00 15.70 C ATOM 696 CG ASP A 75 8.382 -8.488 -2.955 1.00 16.52 C ATOM 697 OD1 ASP A 75 9.287 -8.550 -3.817 1.00 14.58 O ATOM 698 OD2 ASP A 75 7.173 -8.635 -3.236 1.00 13.63 O ATOM 699 H ASP A 75 10.100 -7.325 0.719 1.00 0.00 H ATOM 700 N HIS A 76 12.148 -7.531 -2.533 1.00 13.76 N ATOM 701 CA HIS A 76 12.994 -6.568 -3.232 1.00 18.75 C ATOM 702 C HIS A 76 12.373 -6.086 -4.541 1.00 22.36 C ATOM 703 O HIS A 76 12.687 -4.989 -5.021 1.00 21.93 O ATOM 704 CB HIS A 76 14.380 -7.164 -3.495 1.00 18.99 C ATOM 705 CG HIS A 76 15.187 -7.389 -2.253 1.00 19.64 C ATOM 706 ND1 HIS A 76 14.928 -8.415 -1.370 1.00 18.12 N ATOM 707 CD2 HIS A 76 16.252 -6.718 -1.749 1.00 18.19 C ATOM 708 CE1 HIS A 76 15.796 -8.369 -0.376 1.00 17.86 C ATOM 709 NE2 HIS A 76 16.608 -7.348 -0.581 1.00 22.24 N ATOM 710 H HIS A 76 12.457 -8.522 -2.468 1.00 0.00 H ATOM 711 N THR A 77 11.487 -6.905 -5.108 1.00 16.83 N ATOM 712 CA THR A 77 10.867 -6.605 -6.392 1.00 18.38 C ATOM 713 C THR A 77 9.743 -5.580 -6.266 1.00 19.63 C ATOM 714 O THR A 77 9.674 -4.622 -7.036 1.00 21.58 O ATOM 715 CB THR A 77 10.319 -7.884 -7.051 1.00 17.14 C ATOM 716 OG1 THR A 77 11.392 -8.805 -7.263 1.00 18.19 O ATOM 717 CG2 THR A 77 9.646 -7.564 -8.381 1.00 19.85 C ATOM 718 HG1 THR A 77 11.040 -9.628 -7.687 1.00 0.00 H ATOM 719 H THR A 77 11.230 -7.786 -4.618 1.00 0.00 H ATOM 720 N ASN A 78 8.869 -5.787 -5.292 1.00 17.76 N ATOM 721 CA ASN A 78 7.726 -4.910 -5.090 1.00 18.85 C ATOM 722 C ASN A 78 7.944 -3.915 -3.959 1.00 16.33 C ATOM 723 O ASN A 78 7.036 -3.176 -3.589 1.00 16.11 O ATOM 724 CB ASN A 78 6.476 -5.752 -4.855 1.00 19.79 C ATOM 725 CG ASN A 78 6.181 -6.666 -6.021 1.00 18.72 C ATOM 726 OD1 ASN A 78 6.060 -6.211 -7.152 1.00 20.31 O ATOM 727 ND2 ASN A 78 6.077 -7.961 -5.755 1.00 23.22 N ATOM 728 HD22 ASN A 78 6.187 -8.302 -4.779 1.00 0.00 H ATOM 729 HD21 ASN A 78 5.885 -8.636 -6.523 1.00 0.00 H ATOM 730 H ASN A 78 9.004 -6.598 -4.655 1.00 0.00 H ATOM 731 N PHE A 79 9.163 -3.905 -3.428 1.00 15.75 N ATOM 732 CA PHE A 79 9.562 -3.012 -2.336 1.00 16.32 C ATOM 733 C PHE A 79 8.626 -3.126 -1.136 1.00 16.89 C ATOM 734 O PHE A 79 8.177 -2.121 -0.584 1.00 14.63 O ATOM 735 CB PHE A 79 9.669 -1.558 -2.819 1.00 15.51 C ATOM 736 CG PHE A 79 10.446 -1.405 -4.096 1.00 14.17 C ATOM 737 CD1 PHE A 79 11.781 -1.781 -4.160 1.00 16.31 C ATOM 738 CD2 PHE A 79 9.841 -0.892 -5.233 1.00 15.29 C ATOM 739 CE1 PHE A 79 12.502 -1.659 -5.341 1.00 15.52 C ATOM 740 CE2 PHE A 79 10.559 -0.755 -6.415 1.00 18.44 C ATOM 741 CZ PHE A 79 11.890 -1.137 -6.467 1.00 15.46 C ATOM 742 H PHE A 79 9.871 -4.566 -3.807 1.00 0.00 H ATOM 743 N LYS A 80 8.330 -4.363 -0.751 1.00 16.11 N ATOM 744 CA LYS A 80 7.496 -4.638 0.410 1.00 18.39 C ATOM 745 C LYS A 80 8.349 -5.127 1.572 1.00 16.43 C ATOM 746 O LYS A 80 9.208 -6.001 1.411 1.00 16.99 O ATOM 747 CB LYS A 80 6.407 -5.663 0.089 1.00 18.53 C ATOM 748 CG LYS A 80 5.783 -5.510 -1.287 1.00 21.80 C ATOM 749 CD LYS A 80 4.260 -5.549 -1.234 1.00 22.24 C ATOM 750 CE LYS A 80 3.722 -6.827 -0.597 1.00 28.80 C ATOM 751 NZ LYS A 80 4.023 -8.047 -1.400 1.00 31.11 N ATOM 752 HZ1 LYS A 80 3.591 -7.956 -2.342 1.00 0.00 H ATOM 753 HZ2 LYS A 80 5.053 -8.151 -1.498 1.00 0.00 H ATOM 754 HZ3 LYS A 80 3.634 -8.882 -0.918 1.00 0.00 H ATOM 755 H LYS A 80 8.707 -5.163 -1.298 1.00 0.00 H ATOM 756 N TYR A 81 8.103 -4.560 2.747 1.00 16.06 N ATOM 757 CA TYR A 81 8.852 -4.934 3.936 1.00 16.10 C ATOM 758 C TYR A 81 7.930 -5.134 5.126 1.00 14.36 C ATOM 759 O TYR A 81 7.272 -4.199 5.587 1.00 13.26 O ATOM 760 CB TYR A 81 9.905 -3.878 4.260 1.00 14.43 C ATOM 761 CG TYR A 81 10.797 -4.227 5.437 1.00 11.93 C ATOM 762 CD1 TYR A 81 11.828 -5.154 5.300 1.00 13.68 C ATOM 763 CD2 TYR A 81 10.620 -3.616 6.675 1.00 14.11 C ATOM 764 CE1 TYR A 81 12.653 -5.469 6.365 1.00 15.96 C ATOM 765 CE2 TYR A 81 11.439 -3.927 7.752 1.00 14.01 C ATOM 766 CZ TYR A 81 12.451 -4.854 7.585 1.00 13.73 C ATOM 767 OH TYR A 81 13.277 -5.166 8.632 1.00 16.56 O ATOM 768 HH TYR A 81 13.939 -5.841 8.339 1.00 0.00 H ATOM 769 H TYR A 81 7.361 -3.835 2.818 1.00 0.00 H ATOM 770 N ASN A 82 7.890 -6.362 5.620 1.00 13.59 N ATOM 771 CA ASN A 82 7.050 -6.692 6.752 1.00 11.25 C ATOM 772 C ASN A 82 7.907 -7.035 7.949 1.00 11.82 C ATOM 773 O ASN A 82 8.842 -7.823 7.840 1.00 11.91 O ATOM 774 CB ASN A 82 6.122 -7.857 6.398 1.00 16.70 C ATOM 775 CG ASN A 82 5.233 -7.547 5.211 1.00 14.22 C ATOM 776 OD1 ASN A 82 5.089 -6.388 4.822 1.00 16.18 O ATOM 777 ND2 ASN A 82 4.622 -8.573 4.637 1.00 14.14 N ATOM 778 HD22 ASN A 82 4.772 -9.536 4.999 1.00 0.00 H ATOM 779 HD21 ASN A 82 3.992 -8.415 3.825 1.00 0.00 H ATOM 780 H ASN A 82 8.474 -7.105 5.186 1.00 0.00 H ATOM 781 N TYR A 83 7.582 -6.432 9.089 1.00 12.02 N ATOM 782 CA TYR A 83 8.318 -6.655 10.326 1.00 12.41 C ATOM 783 C TYR A 83 7.362 -6.543 11.506 1.00 11.69 C ATOM 784 O TYR A 83 6.316 -5.908 11.404 1.00 10.38 O ATOM 785 CB TYR A 83 9.482 -5.657 10.465 1.00 11.60 C ATOM 786 CG TYR A 83 9.047 -4.239 10.759 1.00 11.21 C ATOM 787 CD1 TYR A 83 8.652 -3.384 9.731 1.00 12.56 C ATOM 788 CD2 TYR A 83 9.014 -3.760 12.064 1.00 12.38 C ATOM 789 CE1 TYR A 83 8.243 -2.093 9.991 1.00 11.22 C ATOM 790 CE2 TYR A 83 8.607 -2.467 12.335 1.00 12.55 C ATOM 791 CZ TYR A 83 8.222 -1.641 11.298 1.00 11.44 C ATOM 792 OH TYR A 83 7.805 -0.363 11.570 1.00 16.06 O ATOM 793 HH TYR A 83 7.567 0.092 10.724 1.00 0.00 H ATOM 794 H TYR A 83 6.773 -5.778 9.098 1.00 0.00 H ATOM 795 N SER A 84 7.726 -7.158 12.622 1.00 10.25 N ATOM 796 CA SER A 84 6.884 -7.131 13.808 1.00 11.51 C ATOM 797 C SER A 84 7.653 -6.675 15.043 1.00 10.76 C ATOM 798 O SER A 84 8.788 -7.088 15.255 1.00 11.77 O ATOM 799 CB SER A 84 6.267 -8.514 14.054 1.00 9.80 C ATOM 800 OG SER A 84 5.547 -8.969 12.912 1.00 10.11 O ATOM 801 HG SER A 84 6.162 -9.030 12.139 1.00 0.00 H ATOM 802 H SER A 84 8.631 -7.670 12.650 1.00 0.00 H ATOM 803 N VAL A 85 7.021 -5.825 15.850 1.00 11.15 N ATOM 804 CA VAL A 85 7.511 -5.489 17.185 1.00 11.81 C ATOM 805 C VAL A 85 7.117 -6.661 18.094 1.00 12.46 C ATOM 806 O VAL A 85 5.929 -6.868 18.356 1.00 10.41 O ATOM 807 CB VAL A 85 6.890 -4.172 17.714 1.00 10.47 C ATOM 808 CG1 VAL A 85 7.500 -3.780 19.054 1.00 8.50 C ATOM 809 CG2 VAL A 85 7.061 -3.043 16.701 1.00 11.45 C ATOM 810 H VAL A 85 6.142 -5.382 15.516 1.00 0.00 H ATOM 811 N ILE A 86 8.115 -7.418 18.556 1.00 11.02 N ATOM 812 CA ILE A 86 7.870 -8.663 19.299 1.00 12.29 C ATOM 813 C ILE A 86 8.205 -8.578 20.784 1.00 11.81 C ATOM 814 O ILE A 86 7.839 -9.473 21.555 1.00 12.33 O ATOM 815 CB ILE A 86 8.662 -9.846 18.704 1.00 13.60 C ATOM 816 CG1 ILE A 86 10.145 -9.477 18.609 1.00 13.59 C ATOM 817 CG2 ILE A 86 8.075 -10.267 17.361 1.00 16.19 C ATOM 818 CD1 ILE A 86 11.040 -10.549 18.051 1.00 18.02 C ATOM 819 H ILE A 86 9.096 -7.118 18.385 1.00 0.00 H ATOM 820 N GLU A 87 8.904 -7.516 21.184 1.00 10.62 N ATOM 821 CA GLU A 87 9.314 -7.371 22.579 1.00 14.48 C ATOM 822 C GLU A 87 9.696 -5.943 22.934 1.00 12.95 C ATOM 823 O GLU A 87 10.056 -5.157 22.063 1.00 12.25 O ATOM 824 CB GLU A 87 10.489 -8.296 22.871 1.00 14.81 C ATOM 825 CG GLU A 87 10.703 -8.584 24.346 1.00 18.53 C ATOM 826 CD GLU A 87 12.124 -9.012 24.621 1.00 25.14 C ATOM 827 OE1 GLU A 87 12.426 -10.204 24.418 1.00 25.16 O ATOM 828 OE2 GLU A 87 12.936 -8.151 25.020 1.00 25.64 O ATOM 829 H GLU A 87 9.161 -6.781 20.494 1.00 0.00 H ATOM 830 N GLY A 88 9.617 -5.612 24.221 1.00 13.95 N ATOM 831 CA GLY A 88 10.025 -4.298 24.706 1.00 13.90 C ATOM 832 C GLY A 88 8.992 -3.222 24.426 1.00 16.84 C ATOM 833 O GLY A 88 8.001 -3.463 23.732 1.00 14.32 O ATOM 834 H GLY A 88 9.254 -6.311 24.901 1.00 0.00 H ATOM 835 N GLY A 89 9.244 -2.030 24.961 1.00 17.87 N ATOM 836 CA GLY A 89 8.376 -0.877 24.774 1.00 14.40 C ATOM 837 C GLY A 89 6.933 -1.155 25.151 1.00 16.89 C ATOM 838 O GLY A 89 6.643 -1.501 26.295 1.00 17.00 O ATOM 839 H GLY A 89 10.101 -1.917 25.540 1.00 0.00 H ATOM 840 N PRO A 90 6.024 -1.031 24.177 1.00 15.44 N ATOM 841 CA PRO A 90 4.587 -1.252 24.363 1.00 16.51 C ATOM 842 C PRO A 90 4.205 -2.723 24.565 1.00 17.94 C ATOM 843 O PRO A 90 3.087 -3.007 25.008 1.00 13.51 O ATOM 844 CB PRO A 90 3.989 -0.725 23.065 1.00 14.58 C ATOM 845 CG PRO A 90 5.052 -0.924 22.055 1.00 16.65 C ATOM 846 CD PRO A 90 6.359 -0.732 22.773 1.00 16.13 C ATOM 847 N ILE A 91 5.121 -3.636 24.235 1.00 16.02 N ATOM 848 CA ILE A 91 4.852 -5.074 24.318 1.00 16.90 C ATOM 849 C ILE A 91 4.883 -5.577 25.758 1.00 18.54 C ATOM 850 O ILE A 91 5.855 -5.356 26.484 1.00 19.00 O ATOM 851 CB ILE A 91 5.843 -5.899 23.470 1.00 17.63 C ATOM 852 CG1 ILE A 91 5.817 -5.438 22.009 1.00 15.17 C ATOM 853 CG2 ILE A 91 5.555 -7.394 23.591 1.00 14.07 C ATOM 854 CD1 ILE A 91 4.459 -5.529 21.344 1.00 13.06 C ATOM 855 H ILE A 91 6.055 -3.317 23.909 1.00 0.00 H ATOM 856 N GLY A 92 3.814 -6.262 26.154 1.00 16.11 N ATOM 857 CA GLY A 92 3.689 -6.802 27.492 1.00 21.92 C ATOM 858 C GLY A 92 2.339 -7.456 27.714 1.00 23.72 C ATOM 859 O GLY A 92 1.799 -8.112 26.817 1.00 24.24 O ATOM 860 H GLY A 92 3.039 -6.416 25.478 1.00 0.00 H ATOM 861 N ASP A 93 1.780 -7.250 28.903 1.00 23.40 N ATOM 862 CA ASP A 93 0.552 -7.931 29.312 1.00 24.46 C ATOM 863 C ASP A 93 -0.717 -7.360 28.672 1.00 25.92 C ATOM 864 O ASP A 93 -1.814 -7.877 28.897 1.00 24.95 O ATOM 865 CB ASP A 93 0.422 -7.926 30.842 1.00 25.09 C ATOM 866 CG ASP A 93 0.501 -6.526 31.443 1.00 30.42 C ATOM 867 OD1 ASP A 93 0.410 -5.525 30.699 1.00 30.22 O ATOM 868 OD2 ASP A 93 0.661 -6.430 32.679 1.00 33.57 O ATOM 869 H ASP A 93 2.230 -6.584 29.563 1.00 0.00 H ATOM 870 N THR A 94 -0.562 -6.296 27.885 1.00 23.89 N ATOM 871 CA THR A 94 -1.695 -5.662 27.206 1.00 22.66 C ATOM 872 C THR A 94 -1.539 -5.720 25.687 1.00 24.38 C ATOM 873 O THR A 94 -2.497 -5.492 24.951 1.00 23.00 O ATOM 874 CB THR A 94 -1.884 -4.187 27.633 1.00 24.31 C ATOM 875 OG1 THR A 94 -0.770 -3.401 27.189 1.00 30.07 O ATOM 876 CG2 THR A 94 -2.023 -4.067 29.147 1.00 24.12 C ATOM 877 HG1 THR A 94 0.063 -3.753 27.592 1.00 0.00 H ATOM 878 H THR A 94 0.392 -5.904 27.749 1.00 0.00 H ATOM 879 N LEU A 95 -0.326 -6.024 25.230 1.00 21.49 N ATOM 880 CA LEU A 95 -0.018 -6.026 23.805 1.00 20.01 C ATOM 881 C LEU A 95 0.997 -7.112 23.486 1.00 18.67 C ATOM 882 O LEU A 95 2.126 -7.086 23.983 1.00 16.62 O ATOM 883 CB LEU A 95 0.500 -4.650 23.359 1.00 16.17 C ATOM 884 CG LEU A 95 0.781 -4.461 21.865 1.00 15.74 C ATOM 885 CD1 LEU A 95 -0.491 -4.586 21.031 1.00 14.12 C ATOM 886 CD2 LEU A 95 1.444 -3.113 21.627 1.00 14.45 C ATOM 887 H LEU A 95 0.423 -6.267 25.909 1.00 0.00 H ATOM 888 N GLU A 96 0.596 -8.062 22.649 1.00 17.03 N ATOM 889 CA GLU A 96 1.451 -9.207 22.336 1.00 19.98 C ATOM 890 C GLU A 96 2.408 -8.920 21.181 1.00 16.12 C ATOM 891 O GLU A 96 3.555 -9.362 21.190 1.00 18.74 O ATOM 892 CB GLU A 96 0.596 -10.435 22.004 1.00 21.47 C ATOM 893 CG GLU A 96 -0.525 -10.703 22.999 1.00 30.77 C ATOM 894 CD GLU A 96 -1.418 -11.856 22.582 1.00 36.84 C ATOM 895 OE1 GLU A 96 -1.983 -11.813 21.463 1.00 37.47 O ATOM 896 OE2 GLU A 96 -1.556 -12.809 23.381 1.00 40.32 O ATOM 897 H GLU A 96 -0.343 -7.991 22.208 1.00 0.00 H ATOM 898 N LYS A 97 1.927 -8.194 20.179 1.00 16.97 N ATOM 899 CA LYS A 97 2.711 -7.968 18.966 1.00 15.76 C ATOM 900 C LYS A 97 2.131 -6.844 18.109 1.00 13.36 C ATOM 901 O LYS A 97 0.921 -6.649 18.073 1.00 13.33 O ATOM 902 CB LYS A 97 2.774 -9.273 18.158 1.00 14.78 C ATOM 903 CG LYS A 97 3.526 -9.193 16.839 1.00 16.84 C ATOM 904 CD LYS A 97 3.444 -10.517 16.086 1.00 17.00 C ATOM 905 CE LYS A 97 1.996 -10.949 15.887 1.00 17.39 C ATOM 906 NZ LYS A 97 1.874 -12.037 14.881 1.00 19.27 N ATOM 907 HZ1 LYS A 97 2.244 -11.706 13.967 1.00 0.00 H ATOM 908 HZ2 LYS A 97 2.420 -12.863 15.198 1.00 0.00 H ATOM 909 HZ3 LYS A 97 0.873 -12.300 14.777 1.00 0.00 H ATOM 910 H LYS A 97 0.977 -7.779 20.258 1.00 0.00 H ATOM 911 N ILE A 98 3.008 -6.106 17.429 1.00 13.74 N ATOM 912 CA ILE A 98 2.601 -5.133 16.419 1.00 11.72 C ATOM 913 C ILE A 98 3.184 -5.570 15.074 1.00 11.91 C ATOM 914 O ILE A 98 4.396 -5.509 14.881 1.00 11.83 O ATOM 915 CB ILE A 98 3.088 -3.701 16.734 1.00 12.00 C ATOM 916 CG1 ILE A 98 2.619 -3.227 18.112 1.00 11.53 C ATOM 917 CG2 ILE A 98 2.617 -2.729 15.661 1.00 13.83 C ATOM 918 CD1 ILE A 98 3.373 -2.010 18.619 1.00 14.04 C ATOM 919 H ILE A 98 4.022 -6.228 17.625 1.00 0.00 H ATOM 920 N SER A 99 2.327 -6.051 14.175 1.00 10.54 N ATOM 921 CA SER A 99 2.747 -6.465 12.835 1.00 12.57 C ATOM 922 C SER A 99 2.633 -5.307 11.850 1.00 12.03 C ATOM 923 O SER A 99 1.556 -4.743 11.668 1.00 12.87 O ATOM 924 CB SER A 99 1.912 -7.652 12.345 1.00 12.94 C ATOM 925 OG SER A 99 2.075 -8.781 13.189 1.00 12.81 O ATOM 926 HG SER A 99 3.028 -9.049 13.200 1.00 0.00 H ATOM 927 H SER A 99 1.323 -6.136 14.434 1.00 0.00 H ATOM 928 N ASN A 100 3.747 -4.960 11.216 1.00 15.34 N ATOM 929 CA ASN A 100 3.779 -3.835 10.287 1.00 13.67 C ATOM 930 C ASN A 100 4.048 -4.281 8.857 1.00 15.10 C ATOM 931 O ASN A 100 4.852 -5.188 8.619 1.00 15.12 O ATOM 932 CB ASN A 100 4.847 -2.835 10.720 1.00 14.53 C ATOM 933 CG ASN A 100 4.664 -2.374 12.153 1.00 19.20 C ATOM 934 OD1 ASN A 100 3.739 -1.623 12.462 1.00 19.12 O ATOM 935 ND2 ASN A 100 5.542 -2.833 13.038 1.00 13.52 N ATOM 936 HD22 ASN A 100 6.308 -3.466 12.731 1.00 0.00 H ATOM 937 HD21 ASN A 100 5.464 -2.559 14.038 1.00 0.00 H ATOM 938 H ASN A 100 4.618 -5.503 11.386 1.00 0.00 H ATOM 939 N GLU A 101 3.383 -3.635 7.907 1.00 13.72 N ATOM 940 CA GLU A 101 3.610 -3.916 6.493 1.00 16.53 C ATOM 941 C GLU A 101 3.873 -2.616 5.742 1.00 16.96 C ATOM 942 O GLU A 101 3.020 -1.726 5.719 1.00 14.94 O ATOM 943 CB GLU A 101 2.405 -4.642 5.895 1.00 18.07 C ATOM 944 CG GLU A 101 2.135 -6.014 6.497 1.00 21.25 C ATOM 945 CD GLU A 101 0.975 -6.733 5.829 1.00 21.71 C ATOM 946 OE1 GLU A 101 0.414 -6.201 4.847 1.00 28.06 O ATOM 947 OE2 GLU A 101 0.625 -7.841 6.287 1.00 26.13 O ATOM 948 H GLU A 101 2.685 -2.913 8.176 1.00 0.00 H ATOM 949 N ILE A 102 5.057 -2.508 5.141 1.00 14.64 N ATOM 950 CA ILE A 102 5.439 -1.315 4.382 1.00 13.22 C ATOM 951 C ILE A 102 5.529 -1.620 2.885 1.00 17.79 C ATOM 952 O ILE A 102 6.079 -2.647 2.490 1.00 17.85 O ATOM 953 CB ILE A 102 6.793 -0.740 4.869 1.00 14.81 C ATOM 954 CG1 ILE A 102 6.768 -0.495 6.380 1.00 13.89 C ATOM 955 CG2 ILE A 102 7.140 0.547 4.133 1.00 16.99 C ATOM 956 CD1 ILE A 102 8.060 0.063 6.950 1.00 13.26 C ATOM 957 H ILE A 102 5.732 -3.296 5.213 1.00 0.00 H ATOM 958 N LYS A 103 4.973 -0.735 2.059 1.00 14.04 N ATOM 959 CA LYS A 103 5.130 -0.832 0.612 1.00 15.31 C ATOM 960 C LYS A 103 5.490 0.523 0.011 1.00 12.72 C ATOM 961 O LYS A 103 4.908 1.553 0.365 1.00 12.90 O ATOM 962 CB LYS A 103 3.871 -1.400 -0.052 1.00 14.04 C ATOM 963 CG LYS A 103 4.030 -1.646 -1.543 1.00 20.43 C ATOM 964 CD LYS A 103 2.862 -2.443 -2.111 1.00 21.60 C ATOM 965 CE LYS A 103 3.108 -2.762 -3.577 1.00 25.74 C ATOM 966 NZ LYS A 103 2.663 -4.139 -3.919 1.00 27.32 N ATOM 967 HZ1 LYS A 103 3.188 -4.825 -3.340 1.00 0.00 H ATOM 968 HZ2 LYS A 103 1.645 -4.230 -3.729 1.00 0.00 H ATOM 969 HZ3 LYS A 103 2.846 -4.321 -4.926 1.00 0.00 H ATOM 970 H LYS A 103 4.412 0.046 2.456 1.00 0.00 H ATOM 971 N ILE A 104 6.456 0.518 -0.894 1.00 11.36 N ATOM 972 CA ILE A 104 6.904 1.753 -1.530 1.00 14.64 C ATOM 973 C ILE A 104 6.630 1.706 -3.022 1.00 14.37 C ATOM 974 O ILE A 104 7.086 0.798 -3.725 1.00 16.52 O ATOM 975 CB ILE A 104 8.395 2.035 -1.264 1.00 11.72 C ATOM 976 CG1 ILE A 104 8.723 1.823 0.221 1.00 11.10 C ATOM 977 CG2 ILE A 104 8.753 3.456 -1.693 1.00 13.76 C ATOM 978 CD1 ILE A 104 10.145 2.187 0.597 1.00 10.78 C ATOM 979 H ILE A 104 6.904 -0.383 -1.157 1.00 0.00 H ATOM 980 N VAL A 105 5.877 2.689 -3.501 1.00 14.84 N ATOM 981 CA VAL A 105 5.488 2.734 -4.901 1.00 18.28 C ATOM 982 C VAL A 105 6.134 3.935 -5.592 1.00 16.64 C ATOM 983 O VAL A 105 6.154 5.035 -5.042 1.00 15.31 O ATOM 984 CB VAL A 105 3.954 2.796 -5.049 1.00 16.49 C ATOM 985 CG1 VAL A 105 3.543 2.641 -6.508 1.00 20.58 C ATOM 986 CG2 VAL A 105 3.301 1.709 -4.213 1.00 17.28 C ATOM 987 H VAL A 105 5.558 3.444 -2.860 1.00 0.00 H ATOM 988 N ALA A 106 6.657 3.708 -6.793 1.00 16.19 N ATOM 989 CA ALA A 106 7.210 4.779 -7.622 1.00 18.73 C ATOM 990 C ALA A 106 6.128 5.741 -8.097 1.00 21.05 C ATOM 991 O ALA A 106 4.989 5.338 -8.335 1.00 21.61 O ATOM 992 CB ALA A 106 7.947 4.194 -8.815 1.00 18.85 C ATOM 993 H ALA A 106 6.674 2.734 -7.156 1.00 0.00 H ATOM 994 N THR A 107 6.491 7.016 -8.216 1.00 24.06 N ATOM 995 CA THR A 107 5.620 8.026 -8.813 1.00 23.90 C ATOM 996 C THR A 107 6.328 8.599 -10.048 1.00 24.45 C ATOM 997 O THR A 107 7.561 8.629 -10.092 1.00 26.59 O ATOM 998 CB THR A 107 5.265 9.155 -7.819 1.00 22.42 C ATOM 999 OG1 THR A 107 6.462 9.786 -7.352 1.00 25.71 O ATOM 1000 CG2 THR A 107 4.488 8.611 -6.629 1.00 21.62 C ATOM 1001 HG1 THR A 107 6.227 10.508 -6.716 1.00 0.00 H ATOM 1002 H THR A 107 7.429 7.304 -7.871 1.00 0.00 H ATOM 1003 N PRO A 108 5.557 9.054 -11.056 1.00 26.83 N ATOM 1004 CA PRO A 108 6.177 9.478 -12.323 1.00 27.60 C ATOM 1005 C PRO A 108 7.113 10.687 -12.197 1.00 27.48 C ATOM 1006 O PRO A 108 7.989 10.870 -13.046 1.00 29.27 O ATOM 1007 CB PRO A 108 4.970 9.823 -13.206 1.00 26.46 C ATOM 1008 CG PRO A 108 3.891 10.157 -12.241 1.00 31.94 C ATOM 1009 CD PRO A 108 4.094 9.229 -11.080 1.00 25.22 C ATOM 1010 N ASP A 109 6.936 11.495 -11.153 1.00 26.71 N ATOM 1011 CA ASP A 109 7.765 12.686 -10.969 1.00 28.55 C ATOM 1012 C ASP A 109 9.155 12.370 -10.406 1.00 27.71 C ATOM 1013 O ASP A 109 9.988 13.260 -10.283 1.00 30.94 O ATOM 1014 CB ASP A 109 7.055 13.721 -10.086 1.00 29.59 C ATOM 1015 CG ASP A 109 6.639 13.163 -8.735 1.00 31.78 C ATOM 1016 OD1 ASP A 109 7.060 12.039 -8.378 1.00 29.46 O ATOM 1017 OD2 ASP A 109 5.879 13.854 -8.028 1.00 36.53 O ATOM 1018 H ASP A 109 6.196 11.275 -10.457 1.00 0.00 H ATOM 1019 N GLY A 110 9.394 11.106 -10.064 1.00 23.11 N ATOM 1020 CA GLY A 110 10.696 10.682 -9.566 1.00 26.26 C ATOM 1021 C GLY A 110 10.722 10.451 -8.068 1.00 23.47 C ATOM 1022 O GLY A 110 11.733 10.027 -7.516 1.00 21.32 O ATOM 1023 H GLY A 110 8.632 10.404 -10.155 1.00 0.00 H ATOM 1024 N GLY A 111 9.604 10.728 -7.405 1.00 21.75 N ATOM 1025 CA GLY A 111 9.495 10.466 -5.981 1.00 18.39 C ATOM 1026 C GLY A 111 8.968 9.075 -5.709 1.00 17.41 C ATOM 1027 O GLY A 111 9.094 8.173 -6.539 1.00 16.44 O ATOM 1028 H GLY A 111 8.795 11.139 -7.914 1.00 0.00 H ATOM 1029 N SER A 112 8.372 8.903 -4.537 1.00 15.89 N ATOM 1030 CA SER A 112 7.746 7.639 -4.178 1.00 15.31 C ATOM 1031 C SER A 112 6.647 7.863 -3.140 1.00 16.56 C ATOM 1032 O SER A 112 6.562 8.929 -2.518 1.00 15.74 O ATOM 1033 CB SER A 112 8.794 6.663 -3.634 1.00 12.91 C ATOM 1034 OG SER A 112 9.302 7.120 -2.393 1.00 13.28 O ATOM 1035 HG SER A 112 9.722 8.008 -2.517 1.00 0.00 H ATOM 1036 H SER A 112 8.351 9.690 -3.858 1.00 0.00 H ATOM 1037 N ILE A 113 5.812 6.845 -2.961 1.00 16.49 N ATOM 1038 CA ILE A 113 4.735 6.883 -1.987 1.00 15.85 C ATOM 1039 C ILE A 113 4.899 5.703 -1.036 1.00 17.33 C ATOM 1040 O ILE A 113 5.067 4.560 -1.472 1.00 17.46 O ATOM 1041 CB ILE A 113 3.348 6.848 -2.669 1.00 16.96 C ATOM 1042 CG1 ILE A 113 3.015 8.224 -3.262 1.00 19.24 C ATOM 1043 CG2 ILE A 113 2.265 6.438 -1.680 1.00 20.35 C ATOM 1044 CD1 ILE A 113 1.689 8.296 -3.999 1.00 17.84 C ATOM 1045 H ILE A 113 5.934 5.989 -3.540 1.00 0.00 H ATOM 1046 N LEU A 114 4.866 5.983 0.262 1.00 21.11 N ATOM 1047 CA LEU A 114 4.921 4.926 1.264 1.00 17.44 C ATOM 1048 C LEU A 114 3.534 4.600 1.785 1.00 21.63 C ATOM 1049 O LEU A 114 2.768 5.496 2.145 1.00 19.30 O ATOM 1050 CB LEU A 114 5.829 5.316 2.426 1.00 22.74 C ATOM 1051 CG LEU A 114 7.336 5.262 2.192 1.00 22.56 C ATOM 1052 CD1 LEU A 114 7.841 6.633 1.771 1.00 23.93 C ATOM 1053 CD2 LEU A 114 8.044 4.780 3.455 1.00 20.66 C ATOM 1054 H LEU A 114 4.800 6.974 0.569 1.00 0.00 H ATOM 1055 N LYS A 115 3.216 3.310 1.808 1.00 17.88 N ATOM 1056 CA LYS A 115 1.984 2.830 2.416 1.00 19.82 C ATOM 1057 C LYS A 115 2.348 1.914 3.576 1.00 19.94 C ATOM 1058 O LYS A 115 3.006 0.886 3.383 1.00 21.33 O ATOM 1059 CB LYS A 115 1.115 2.087 1.397 1.00 22.65 C ATOM 1060 CG LYS A 115 0.761 2.889 0.154 1.00 25.96 C ATOM 1061 CD LYS A 115 -0.173 2.097 -0.750 1.00 31.10 C ATOM 1062 CE LYS A 115 -0.521 2.857 -2.022 1.00 30.52 C ATOM 1063 NZ LYS A 115 0.688 3.202 -2.822 1.00 28.35 N ATOM 1064 HZ1 LYS A 115 1.321 3.799 -2.252 1.00 0.00 H ATOM 1065 HZ2 LYS A 115 1.184 2.329 -3.093 1.00 0.00 H ATOM 1066 HZ3 LYS A 115 0.400 3.718 -3.678 1.00 0.00 H ATOM 1067 H LYS A 115 3.867 2.622 1.378 1.00 0.00 H ATOM 1068 N ILE A 116 1.936 2.295 4.781 1.00 19.69 N ATOM 1069 CA ILE A 116 2.234 1.505 5.970 1.00 20.24 C ATOM 1070 C ILE A 116 0.949 1.030 6.657 1.00 24.14 C ATOM 1071 O ILE A 116 0.018 1.807 6.864 1.00 20.88 O ATOM 1072 CB ILE A 116 3.155 2.270 6.956 1.00 23.58 C ATOM 1073 CG1 ILE A 116 3.272 1.549 8.303 1.00 23.60 C ATOM 1074 CG2 ILE A 116 2.659 3.684 7.188 1.00 25.43 C ATOM 1075 CD1 ILE A 116 3.971 0.206 8.252 1.00 22.30 C ATOM 1076 H ILE A 116 1.390 3.175 4.878 1.00 0.00 H ATOM 1077 N SER A 117 0.911 -0.262 6.977 1.00 22.85 N ATOM 1078 CA SER A 117 -0.189 -0.862 7.716 1.00 23.91 C ATOM 1079 C SER A 117 0.311 -1.370 9.060 1.00 23.49 C ATOM 1080 O SER A 117 1.282 -2.129 9.123 1.00 23.87 O ATOM 1081 CB SER A 117 -0.799 -2.020 6.921 1.00 23.03 C ATOM 1082 OG SER A 117 -1.464 -2.924 7.783 1.00 28.72 O ATOM 1083 HG SER A 117 -0.818 -3.290 8.437 1.00 0.00 H ATOM 1084 H SER A 117 1.703 -0.869 6.686 1.00 0.00 H ATOM 1085 N ASN A 118 -0.354 -0.949 10.131 1.00 21.56 N ATOM 1086 CA ASN A 118 -0.029 -1.414 11.478 1.00 20.69 C ATOM 1087 C ASN A 118 -1.167 -2.234 12.073 1.00 23.44 C ATOM 1088 O ASN A 118 -2.325 -1.799 12.060 1.00 23.55 O ATOM 1089 CB ASN A 118 0.276 -0.231 12.399 1.00 20.59 C ATOM 1090 CG ASN A 118 1.610 0.416 12.100 1.00 29.52 C ATOM 1091 OD1 ASN A 118 2.097 0.384 10.969 1.00 29.94 O ATOM 1092 ND2 ASN A 118 2.214 1.008 13.120 1.00 36.15 N ATOM 1093 HD22 ASN A 118 1.766 1.011 14.059 1.00 0.00 H ATOM 1094 HD21 ASN A 118 3.136 1.470 12.982 1.00 0.00 H ATOM 1095 H ASN A 118 -1.130 -0.268 10.007 1.00 0.00 H ATOM 1096 N LYS A 119 -0.830 -3.414 12.591 1.00 21.69 N ATOM 1097 CA LYS A 119 -1.800 -4.270 13.271 1.00 22.65 C ATOM 1098 C LYS A 119 -1.382 -4.494 14.722 1.00 18.01 C ATOM 1099 O LYS A 119 -0.331 -5.070 14.989 1.00 15.47 O ATOM 1100 CB LYS A 119 -1.947 -5.615 12.553 1.00 21.21 C ATOM 1101 CG LYS A 119 -2.540 -5.547 11.153 1.00 21.74 C ATOM 1102 CD LYS A 119 -2.538 -6.924 10.510 1.00 23.60 C ATOM 1103 CE LYS A 119 -3.546 -7.026 9.375 1.00 29.19 C ATOM 1104 NZ LYS A 119 -4.910 -7.370 9.868 1.00 28.56 N ATOM 1105 HZ1 LYS A 119 -4.879 -8.286 10.359 1.00 0.00 H ATOM 1106 HZ2 LYS A 119 -5.235 -6.634 10.526 1.00 0.00 H ATOM 1107 HZ3 LYS A 119 -5.564 -7.429 9.062 1.00 0.00 H ATOM 1108 H LYS A 119 0.155 -3.737 12.509 1.00 0.00 H ATOM 1109 N TYR A 120 -2.176 -4.002 15.653 1.00 16.68 N ATOM 1110 CA TYR A 120 -1.890 -4.197 17.045 1.00 16.29 C ATOM 1111 C TYR A 120 -2.610 -5.471 17.521 1.00 18.31 C ATOM 1112 O TYR A 120 -3.826 -5.535 17.501 1.00 18.30 O ATOM 1113 CB TYR A 120 -2.265 -2.984 17.886 1.00 17.30 C ATOM 1114 CG TYR A 120 -1.367 -1.779 17.727 1.00 15.27 C ATOM 1115 CD1 TYR A 120 -1.379 -1.022 16.561 1.00 14.19 C ATOM 1116 CD2 TYR A 120 -0.532 -1.400 18.737 1.00 13.98 C ATOM 1117 CE1 TYR A 120 -0.568 0.062 16.422 1.00 13.95 C ATOM 1118 CE2 TYR A 120 0.289 -0.327 18.615 1.00 14.39 C ATOM 1119 CZ TYR A 120 0.279 0.403 17.449 1.00 16.31 C ATOM 1120 OH TYR A 120 1.093 1.462 17.343 1.00 16.49 O ATOM 1121 HH TYR A 120 0.973 1.881 16.454 1.00 0.00 H ATOM 1122 H TYR A 120 -3.022 -3.465 15.374 1.00 0.00 H ATOM 1123 N HIS A 121 -1.829 -6.476 17.889 1.00 17.11 N ATOM 1124 CA HIS A 121 -2.348 -7.741 18.438 1.00 20.77 C ATOM 1125 C HIS A 121 -2.446 -7.639 19.977 1.00 20.06 C ATOM 1126 O HIS A 121 -1.459 -7.742 20.701 1.00 18.70 O ATOM 1127 CB HIS A 121 -1.480 -8.934 18.011 1.00 17.40 C ATOM 1128 CG HIS A 121 -1.484 -9.206 16.538 1.00 17.14 C ATOM 1129 ND1 HIS A 121 -2.348 -10.084 15.951 1.00 23.04 N ATOM 1130 CD2 HIS A 121 -0.765 -8.671 15.533 1.00 18.46 C ATOM 1131 CE1 HIS A 121 -2.133 -10.112 14.650 1.00 19.35 C ATOM 1132 NE2 HIS A 121 -1.179 -9.254 14.375 1.00 17.42 N ATOM 1133 H HIS A 121 -0.800 -6.367 17.785 1.00 0.00 H ATOM 1134 N THR A 122 -3.660 -7.419 20.457 1.00 21.10 N ATOM 1135 CA THR A 122 -3.884 -7.362 21.903 1.00 28.08 C ATOM 1136 C THR A 122 -4.419 -8.655 22.493 1.00 32.62 C ATOM 1137 O THR A 122 -5.175 -9.375 21.872 1.00 32.17 O ATOM 1138 CB THR A 122 -4.779 -6.192 22.369 1.00 25.49 C ATOM 1139 OG1 THR A 122 -6.148 -6.484 22.080 1.00 28.50 O ATOM 1140 CG2 THR A 122 -4.387 -4.925 21.740 1.00 24.40 C ATOM 1141 HG1 THR A 122 -6.415 -7.310 22.555 1.00 0.00 H ATOM 1142 H THR A 122 -4.458 -7.286 19.804 1.00 0.00 H ATOM 1143 N LYS A 123 -4.076 -8.881 23.745 1.00 38.74 N ATOM 1144 CA LYS A 123 -4.278 -10.158 24.397 1.00 42.59 C ATOM 1145 C LYS A 123 -5.640 -10.329 25.034 1.00 48.01 C ATOM 1146 O LYS A 123 -6.514 -11.005 24.486 1.00 47.64 O ATOM 1147 CB LYS A 123 -3.191 -10.377 25.444 1.00 37.82 C ATOM 1148 H LYS A 123 -3.641 -8.108 24.289 1.00 0.00 H ATOM 1149 N GLY A 124 -5.763 -9.778 26.233 1.00 50.49 N ATOM 1150 CA GLY A 124 -7.039 -9.544 26.881 1.00 53.64 C ATOM 1151 C GLY A 124 -7.335 -8.204 26.270 1.00 55.92 C ATOM 1152 O GLY A 124 -6.398 -7.534 25.856 1.00 58.96 O ATOM 1153 H GLY A 124 -4.897 -9.498 26.737 1.00 0.00 H ATOM 1154 N ASP A 125 -8.600 -7.832 26.180 1.00 58.02 N ATOM 1155 CA ASP A 125 -9.031 -6.765 25.280 1.00 57.29 C ATOM 1156 C ASP A 125 -8.606 -5.343 25.689 1.00 56.11 C ATOM 1157 O ASP A 125 -9.451 -4.508 25.928 1.00 53.74 O ATOM 1158 CB ASP A 125 -10.540 -6.844 25.063 1.00 56.46 C ATOM 1159 H ASP A 125 -9.310 -8.313 26.768 1.00 0.00 H ATOM 1160 N HIS A 126 -7.300 -5.063 25.758 1.00 52.59 N ATOM 1161 CA HIS A 126 -6.859 -3.686 25.998 1.00 52.30 C ATOM 1162 C HIS A 126 -7.459 -2.794 24.896 1.00 51.48 C ATOM 1163 O HIS A 126 -7.908 -3.303 23.876 1.00 56.21 O ATOM 1164 CB HIS A 126 -5.342 -3.610 26.010 1.00 47.40 C ATOM 1165 H HIS A 126 -6.598 -5.822 25.641 1.00 0.00 H ATOM 1166 N GLU A 127 -7.527 -1.492 25.103 1.00 47.48 N ATOM 1167 CA GLU A 127 -7.802 -0.587 24.009 1.00 45.01 C ATOM 1168 C GLU A 127 -6.448 -0.022 23.646 1.00 46.62 C ATOM 1169 O GLU A 127 -5.615 0.224 24.509 1.00 43.49 O ATOM 1170 CB GLU A 127 -8.773 0.532 24.396 1.00 46.21 C ATOM 1171 CG GLU A 127 -9.037 1.578 23.324 1.00 44.80 C ATOM 1172 CD GLU A 127 -10.382 2.286 23.476 1.00 46.15 C ATOM 1173 OE1 GLU A 127 -10.816 2.581 24.605 1.00 47.98 O ATOM 1174 OE2 GLU A 127 -11.013 2.547 22.455 1.00 47.55 O ATOM 1175 H GLU A 127 -7.382 -1.114 26.061 1.00 0.00 H ATOM 1176 N VAL A 128 -6.223 0.156 22.352 1.00 41.14 N ATOM 1177 CA VAL A 128 -5.053 0.841 21.893 1.00 38.66 C ATOM 1178 C VAL A 128 -5.405 2.336 21.812 1.00 39.52 C ATOM 1179 O VAL A 128 -6.461 2.695 21.300 1.00 35.10 O ATOM 1180 CB VAL A 128 -4.597 0.295 20.522 1.00 31.50 C ATOM 1181 CG1 VAL A 128 -3.610 1.208 19.862 1.00 36.48 C ATOM 1182 CG2 VAL A 128 -4.011 -1.088 20.664 1.00 28.72 C ATOM 1183 H VAL A 128 -6.908 -0.208 21.659 1.00 0.00 H ATOM 1184 N LYS A 129 -4.496 3.178 22.308 1.00 39.13 N ATOM 1185 CA LYS A 129 -4.734 4.617 22.390 1.00 36.25 C ATOM 1186 C LYS A 129 -4.278 5.347 21.133 1.00 38.18 C ATOM 1187 O LYS A 129 -3.260 4.996 20.533 1.00 34.82 O ATOM 1188 CB LYS A 129 -4.034 5.205 23.620 1.00 37.83 C ATOM 1189 H LYS A 129 -3.589 2.798 22.647 1.00 0.00 H ATOM 1190 N ALA A 130 -5.040 6.372 20.753 1.00 41.02 N ATOM 1191 CA ALA A 130 -4.746 7.192 19.573 1.00 41.25 C ATOM 1192 C ALA A 130 -3.369 7.852 19.649 1.00 42.48 C ATOM 1193 O ALA A 130 -2.702 8.021 18.627 1.00 41.59 O ATOM 1194 CB ALA A 130 -5.829 8.249 19.375 1.00 34.37 C ATOM 1195 H ALA A 130 -5.882 6.601 21.319 1.00 0.00 H ATOM 1196 N GLU A 131 -2.957 8.218 20.860 1.00 41.72 N ATOM 1197 CA GLU A 131 -1.672 8.872 21.083 1.00 44.56 C ATOM 1198 C GLU A 131 -0.499 7.900 20.980 1.00 40.35 C ATOM 1199 O GLU A 131 0.647 8.332 20.952 1.00 33.50 O ATOM 1200 CB GLU A 131 -1.655 9.591 22.447 1.00 42.30 C ATOM 1201 CG GLU A 131 -2.093 8.731 23.629 1.00 46.68 C ATOM 1202 CD GLU A 131 -1.869 9.414 24.971 1.00 50.67 C ATOM 1203 OE1 GLU A 131 -1.693 10.653 24.994 1.00 52.06 O ATOM 1204 OE2 GLU A 131 -1.875 8.718 26.009 1.00 45.95 O ATOM 1205 H GLU A 131 -3.573 8.031 21.677 1.00 0.00 H ATOM 1206 N GLN A 132 -0.777 6.600 20.951 1.00 36.60 N ATOM 1207 CA GLN A 132 0.297 5.636 20.844 1.00 35.93 C ATOM 1208 C GLN A 132 0.649 5.541 19.359 1.00 37.98 C ATOM 1209 O GLN A 132 1.819 5.622 18.983 1.00 35.31 O ATOM 1210 CB GLN A 132 -0.110 4.270 21.373 1.00 36.12 C ATOM 1211 CG GLN A 132 1.082 3.341 21.627 1.00 40.21 C ATOM 1212 CD GLN A 132 0.663 2.003 22.217 1.00 39.17 C ATOM 1213 OE1 GLN A 132 -0.458 1.808 22.717 1.00 50.15 O ATOM 1214 NE2 GLN A 132 1.580 1.053 22.155 1.00 40.15 N ATOM 1215 HE22 GLN A 132 2.508 1.253 21.729 1.00 0.00 H ATOM 1216 HE21 GLN A 132 1.374 0.106 22.532 1.00 0.00 H ATOM 1217 H GLN A 132 -1.764 6.277 21.005 1.00 0.00 H ATOM 1218 N VAL A 133 -0.381 5.362 18.525 1.00 33.33 N ATOM 1219 CA VAL A 133 -0.245 5.284 17.062 1.00 26.70 C ATOM 1220 C VAL A 133 0.304 6.590 16.483 1.00 26.99 C ATOM 1221 O VAL A 133 1.195 6.580 15.628 1.00 23.34 O ATOM 1222 CB VAL A 133 -1.599 4.948 16.395 1.00 31.30 C ATOM 1223 CG1 VAL A 133 -1.452 4.833 14.884 1.00 30.93 C ATOM 1224 CG2 VAL A 133 -2.181 3.670 16.986 1.00 26.37 C ATOM 1225 H VAL A 133 -1.333 5.273 18.934 1.00 0.00 H ATOM 1226 N LYS A 134 -0.232 7.707 16.972 1.00 25.47 N ATOM 1227 CA LYS A 134 0.198 9.036 16.558 1.00 28.73 C ATOM 1228 C LYS A 134 1.670 9.285 16.890 1.00 26.41 C ATOM 1229 O LYS A 134 2.377 9.930 16.118 1.00 23.35 O ATOM 1230 CB LYS A 134 -0.712 10.109 17.176 1.00 30.92 C ATOM 1231 CG LYS A 134 -0.010 11.337 17.733 1.00 30.85 C ATOM 1232 CD LYS A 134 -1.015 12.425 18.082 1.00 38.69 C ATOM 1233 CE LYS A 134 -0.389 13.523 18.926 1.00 41.38 C ATOM 1234 NZ LYS A 134 -0.420 13.190 20.382 1.00 40.06 N ATOM 1235 HZ1 LYS A 134 -1.406 13.065 20.687 1.00 0.00 H ATOM 1236 HZ2 LYS A 134 0.109 12.310 20.546 1.00 0.00 H ATOM 1237 HZ3 LYS A 134 0.016 13.964 20.923 1.00 0.00 H ATOM 1238 H LYS A 134 -0.990 7.627 17.680 1.00 0.00 H ATOM 1239 N ALA A 135 2.128 8.759 18.025 1.00 25.78 N ATOM 1240 CA ALA A 135 3.535 8.861 18.412 1.00 27.76 C ATOM 1241 C ALA A 135 4.415 8.035 17.475 1.00 26.96 C ATOM 1242 O ALA A 135 5.455 8.506 17.014 1.00 22.05 O ATOM 1243 CB ALA A 135 3.734 8.424 19.855 1.00 25.90 C ATOM 1244 H ALA A 135 1.466 8.261 18.654 1.00 0.00 H ATOM 1245 N SER A 136 3.976 6.809 17.197 1.00 24.57 N ATOM 1246 CA SER A 136 4.688 5.917 16.289 1.00 22.36 C ATOM 1247 C SER A 136 4.773 6.495 14.873 1.00 22.83 C ATOM 1248 O SER A 136 5.793 6.343 14.196 1.00 25.20 O ATOM 1249 CB SER A 136 4.027 4.539 16.266 1.00 21.09 C ATOM 1250 OG SER A 136 2.756 4.584 15.644 1.00 22.95 O ATOM 1251 HG SER A 136 2.168 5.206 16.142 1.00 0.00 H ATOM 1252 H SER A 136 3.097 6.477 17.642 1.00 0.00 H ATOM 1253 N LYS A 137 3.703 7.156 14.435 1.00 20.84 N ATOM 1254 CA LYS A 137 3.683 7.799 13.120 1.00 22.55 C ATOM 1255 C LYS A 137 4.695 8.946 13.070 1.00 21.74 C ATOM 1256 O LYS A 137 5.387 9.133 12.061 1.00 20.82 O ATOM 1257 CB LYS A 137 2.275 8.306 12.784 1.00 22.04 C ATOM 1258 CG LYS A 137 2.197 9.143 11.518 1.00 25.75 C ATOM 1259 CD LYS A 137 0.766 9.551 11.202 1.00 28.21 C ATOM 1260 CE LYS A 137 0.719 10.473 9.994 1.00 33.30 C ATOM 1261 NZ LYS A 137 -0.678 10.838 9.624 1.00 36.45 N ATOM 1262 HZ1 LYS A 137 -1.212 9.975 9.396 1.00 0.00 H ATOM 1263 HZ2 LYS A 137 -1.131 11.326 10.423 1.00 0.00 H ATOM 1264 HZ3 LYS A 137 -0.663 11.467 8.796 1.00 0.00 H ATOM 1265 H LYS A 137 2.861 7.217 15.042 1.00 0.00 H ATOM 1266 N GLU A 138 4.774 9.706 14.162 1.00 19.47 N ATOM 1267 CA GLU A 138 5.737 10.800 14.285 1.00 21.72 C ATOM 1268 C GLU A 138 7.174 10.289 14.207 1.00 19.37 C ATOM 1269 O GLU A 138 8.018 10.902 13.566 1.00 19.41 O ATOM 1270 CB GLU A 138 5.527 11.568 15.590 1.00 25.00 C ATOM 1271 CG GLU A 138 4.270 12.430 15.613 1.00 31.68 C ATOM 1272 CD GLU A 138 4.060 13.138 16.940 1.00 36.92 C ATOM 1273 OE1 GLU A 138 4.551 12.639 17.977 1.00 38.22 O ATOM 1274 OE2 GLU A 138 3.398 14.199 16.947 1.00 40.43 O ATOM 1275 H GLU A 138 4.128 9.514 14.954 1.00 0.00 H ATOM 1276 N MET A 139 7.438 9.168 14.872 1.00 22.51 N ATOM 1277 CA MET A 139 8.755 8.539 14.837 1.00 20.02 C ATOM 1278 C MET A 139 9.127 8.148 13.412 1.00 18.67 C ATOM 1279 O MET A 139 10.214 8.480 12.934 1.00 16.10 O ATOM 1280 CB MET A 139 8.795 7.328 15.777 1.00 20.99 C ATOM 1281 CG MET A 139 10.009 6.421 15.629 1.00 22.36 C ATOM 1282 SD MET A 139 11.589 7.286 15.757 1.00 26.19 S ATOM 1283 CE MET A 139 11.567 7.772 17.476 1.00 22.33 C ATOM 1284 H MET A 139 6.683 8.726 15.434 1.00 0.00 H ATOM 1285 N GLY A 140 8.220 7.449 12.738 1.00 15.54 N ATOM 1286 CA GLY A 140 8.443 7.010 11.369 1.00 16.78 C ATOM 1287 C GLY A 140 8.701 8.176 10.433 1.00 18.40 C ATOM 1288 O GLY A 140 9.602 8.122 9.596 1.00 18.25 O ATOM 1289 H GLY A 140 7.322 7.208 13.204 1.00 0.00 H ATOM 1290 N GLU A 141 7.910 9.234 10.598 1.00 19.04 N ATOM 1291 CA GLU A 141 8.045 10.453 9.810 1.00 18.03 C ATOM 1292 C GLU A 141 9.401 11.119 10.033 1.00 17.52 C ATOM 1293 O GLU A 141 10.051 11.536 9.076 1.00 16.53 O ATOM 1294 CB GLU A 141 6.917 11.431 10.145 1.00 20.05 C ATOM 1295 CG GLU A 141 6.846 12.648 9.233 1.00 26.43 C ATOM 1296 CD GLU A 141 6.470 12.302 7.799 1.00 27.47 C ATOM 1297 OE1 GLU A 141 5.983 11.180 7.548 1.00 31.35 O ATOM 1298 OE2 GLU A 141 6.662 13.165 6.916 1.00 33.28 O ATOM 1299 H GLU A 141 7.163 9.189 11.320 1.00 0.00 H ATOM 1300 N THR A 142 9.821 11.210 11.294 1.00 13.70 N ATOM 1301 CA THR A 142 11.129 11.785 11.647 1.00 13.59 C ATOM 1302 C THR A 142 12.268 10.991 11.011 1.00 14.57 C ATOM 1303 O THR A 142 13.224 11.572 10.488 1.00 16.42 O ATOM 1304 CB THR A 142 11.319 11.836 13.172 1.00 16.77 C ATOM 1305 OG1 THR A 142 10.309 12.669 13.738 1.00 14.78 O ATOM 1306 CG2 THR A 142 12.709 12.378 13.554 1.00 14.85 C ATOM 1307 HG1 THR A 142 9.417 12.296 13.524 1.00 0.00 H ATOM 1308 H THR A 142 9.203 10.863 12.055 1.00 0.00 H ATOM 1309 N LEU A 143 12.151 9.665 11.045 1.00 14.58 N ATOM 1310 CA LEU A 143 13.138 8.783 10.421 1.00 13.34 C ATOM 1311 C LEU A 143 13.185 8.963 8.908 1.00 13.89 C ATOM 1312 O LEU A 143 14.266 9.049 8.325 1.00 14.50 O ATOM 1313 CB LEU A 143 12.847 7.321 10.764 1.00 11.10 C ATOM 1314 CG LEU A 143 12.960 6.957 12.249 1.00 14.14 C ATOM 1315 CD1 LEU A 143 12.820 5.454 12.440 1.00 14.35 C ATOM 1316 CD2 LEU A 143 14.273 7.467 12.831 1.00 14.67 C ATOM 1317 H LEU A 143 11.333 9.243 11.530 1.00 0.00 H ATOM 1318 N LEU A 144 12.012 9.014 8.278 1.00 13.43 N ATOM 1319 CA LEU A 144 11.931 9.190 6.831 1.00 15.11 C ATOM 1320 C LEU A 144 12.594 10.485 6.360 1.00 13.98 C ATOM 1321 O LEU A 144 13.423 10.469 5.446 1.00 11.63 O ATOM 1322 CB LEU A 144 10.476 9.141 6.360 1.00 16.02 C ATOM 1323 CG LEU A 144 10.246 9.373 4.861 1.00 15.40 C ATOM 1324 CD1 LEU A 144 10.889 8.273 4.024 1.00 15.76 C ATOM 1325 CD2 LEU A 144 8.757 9.480 4.574 1.00 13.91 C ATOM 1326 H LEU A 144 11.135 8.926 8.829 1.00 0.00 H ATOM 1327 N ARG A 145 12.219 11.602 6.976 1.00 11.62 N ATOM 1328 CA ARG A 145 12.763 12.910 6.592 1.00 16.01 C ATOM 1329 C ARG A 145 14.275 13.000 6.815 1.00 13.56 C ATOM 1330 O ARG A 145 15.005 13.575 5.994 1.00 12.95 O ATOM 1331 CB ARG A 145 12.043 14.038 7.343 1.00 16.22 C ATOM 1332 CG ARG A 145 10.531 14.044 7.156 1.00 20.21 C ATOM 1333 CD ARG A 145 10.139 14.119 5.682 1.00 22.91 C ATOM 1334 NE ARG A 145 8.786 13.618 5.455 1.00 28.98 N ATOM 1335 CZ ARG A 145 8.299 13.243 4.274 1.00 31.16 C ATOM 1336 NH1 ARG A 145 9.049 13.307 3.178 1.00 27.94 N ATOM 1337 NH2 ARG A 145 7.052 12.801 4.187 1.00 29.94 N ATOM 1338 HE ARG A 145 8.155 13.549 6.279 1.00 0.00 H ATOM 1339 HH12 ARG A 145 8.657 13.011 2.261 1.00 0.00 H ATOM 1340 HH11 ARG A 145 10.028 13.653 3.237 1.00 0.00 H ATOM 1341 HH22 ARG A 145 6.668 12.507 3.266 1.00 0.00 H ATOM 1342 HH21 ARG A 145 6.458 12.748 5.039 1.00 0.00 H ATOM 1343 H ARG A 145 11.524 11.548 7.748 1.00 0.00 H ATOM 1344 N ALA A 146 14.747 12.426 7.919 1.00 10.12 N ATOM 1345 CA ALA A 146 16.179 12.437 8.207 1.00 10.86 C ATOM 1346 C ALA A 146 16.973 11.597 7.199 1.00 10.15 C ATOM 1347 O ALA A 146 18.080 11.969 6.816 1.00 10.43 O ATOM 1348 CB ALA A 146 16.452 11.966 9.630 1.00 10.20 C ATOM 1349 H ALA A 146 14.091 11.966 8.582 1.00 0.00 H ATOM 1350 N VAL A 147 16.420 10.454 6.797 1.00 9.63 N ATOM 1351 CA VAL A 147 17.046 9.613 5.776 1.00 8.92 C ATOM 1352 C VAL A 147 16.960 10.292 4.420 1.00 9.37 C ATOM 1353 O VAL A 147 17.928 10.316 3.661 1.00 9.72 O ATOM 1354 CB VAL A 147 16.387 8.218 5.695 1.00 9.50 C ATOM 1355 CG1 VAL A 147 16.821 7.488 4.434 1.00 8.14 C ATOM 1356 CG2 VAL A 147 16.724 7.388 6.932 1.00 8.91 C ATOM 1357 H VAL A 147 15.519 10.151 7.220 1.00 0.00 H ATOM 1358 N GLU A 148 15.783 10.841 4.125 1.00 8.42 N ATOM 1359 CA GLU A 148 15.561 11.603 2.907 1.00 10.19 C ATOM 1360 C GLU A 148 16.630 12.674 2.702 1.00 13.35 C ATOM 1361 O GLU A 148 17.256 12.739 1.641 1.00 11.70 O ATOM 1362 CB GLU A 148 14.182 12.235 2.955 1.00 12.20 C ATOM 1363 CG GLU A 148 13.423 12.240 1.649 1.00 16.84 C ATOM 1364 CD GLU A 148 12.004 12.744 1.826 1.00 18.59 C ATOM 1365 OE1 GLU A 148 11.676 13.217 2.937 1.00 17.71 O ATOM 1366 OE2 GLU A 148 11.220 12.663 0.862 1.00 22.89 O ATOM 1367 H GLU A 148 14.993 10.720 4.791 1.00 0.00 H ATOM 1368 N SER A 149 16.842 13.502 3.728 1.00 10.81 N ATOM 1369 CA SER A 149 17.816 14.594 3.669 1.00 13.61 C ATOM 1370 C SER A 149 19.234 14.072 3.439 1.00 13.51 C ATOM 1371 O SER A 149 19.999 14.645 2.657 1.00 13.33 O ATOM 1372 CB SER A 149 17.770 15.422 4.956 1.00 13.49 C ATOM 1373 OG SER A 149 18.711 16.480 4.910 1.00 18.15 O ATOM 1374 HG SER A 149 18.663 17.000 5.751 1.00 0.00 H ATOM 1375 H SER A 149 16.295 13.366 4.602 1.00 0.00 H ATOM 1376 N TYR A 150 19.578 12.983 4.123 1.00 10.07 N ATOM 1377 CA TYR A 150 20.881 12.348 3.942 1.00 12.70 C ATOM 1378 C TYR A 150 21.092 11.923 2.487 1.00 12.31 C ATOM 1379 O TYR A 150 22.155 12.162 1.910 1.00 13.19 O ATOM 1380 CB TYR A 150 21.014 11.130 4.861 1.00 12.20 C ATOM 1381 CG TYR A 150 22.302 10.370 4.675 1.00 13.73 C ATOM 1382 CD1 TYR A 150 23.453 10.733 5.370 1.00 13.32 C ATOM 1383 CD2 TYR A 150 22.375 9.294 3.801 1.00 13.95 C ATOM 1384 CE1 TYR A 150 24.637 10.035 5.195 1.00 15.31 C ATOM 1385 CE2 TYR A 150 23.555 8.600 3.610 1.00 18.91 C ATOM 1386 CZ TYR A 150 24.683 8.972 4.308 1.00 21.26 C ATOM 1387 OH TYR A 150 25.858 8.276 4.122 1.00 23.23 O ATOM 1388 HH TYR A 150 26.566 8.667 4.693 1.00 0.00 H ATOM 1389 H TYR A 150 18.904 12.575 4.802 1.00 0.00 H ATOM 1390 N LEU A 151 20.071 11.304 1.898 1.00 10.27 N ATOM 1391 CA LEU A 151 20.169 10.775 0.538 1.00 11.26 C ATOM 1392 C LEU A 151 20.272 11.886 -0.503 1.00 11.20 C ATOM 1393 O LEU A 151 20.885 11.705 -1.561 1.00 11.11 O ATOM 1394 CB LEU A 151 18.983 9.853 0.227 1.00 11.19 C ATOM 1395 CG LEU A 151 18.916 8.533 1.001 1.00 10.16 C ATOM 1396 CD1 LEU A 151 17.625 7.790 0.691 1.00 10.14 C ATOM 1397 CD2 LEU A 151 20.130 7.664 0.703 1.00 11.20 C ATOM 1398 H LEU A 151 19.178 11.193 2.420 1.00 0.00 H ATOM 1399 N LEU A 152 19.666 13.032 -0.204 1.00 10.46 N ATOM 1400 CA LEU A 152 19.768 14.205 -1.074 1.00 12.23 C ATOM 1401 C LEU A 152 21.186 14.772 -1.033 1.00 12.83 C ATOM 1402 O LEU A 152 21.712 15.234 -2.045 1.00 13.92 O ATOM 1403 CB LEU A 152 18.747 15.280 -0.667 1.00 10.76 C ATOM 1404 CG LEU A 152 17.265 14.929 -0.889 1.00 11.59 C ATOM 1405 CD1 LEU A 152 16.323 15.972 -0.307 1.00 11.82 C ATOM 1406 CD2 LEU A 152 16.980 14.735 -2.365 1.00 12.92 C ATOM 1407 H LEU A 152 19.106 13.096 0.670 1.00 0.00 H ATOM 1408 N ALA A 153 21.802 14.717 0.144 1.00 13.27 N ATOM 1409 CA ALA A 153 23.126 15.297 0.356 1.00 13.27 C ATOM 1410 C ALA A 153 24.252 14.310 0.050 1.00 13.70 C ATOM 1411 O ALA A 153 25.407 14.697 -0.044 1.00 13.34 O ATOM 1412 CB ALA A 153 23.248 15.811 1.781 1.00 12.21 C ATOM 1413 H ALA A 153 21.326 14.246 0.940 1.00 0.00 H ATOM 1414 N HIS A 154 23.914 13.035 -0.094 1.00 14.64 N ATOM 1415 CA HIS A 154 24.911 12.010 -0.390 1.00 13.90 C ATOM 1416 C HIS A 154 24.522 11.260 -1.652 1.00 15.45 C ATOM 1417 O HIS A 154 24.039 10.129 -1.599 1.00 14.19 O ATOM 1418 CB HIS A 154 25.071 11.064 0.797 1.00 13.56 C ATOM 1419 CG HIS A 154 25.591 11.742 2.025 1.00 15.00 C ATOM 1420 ND1 HIS A 154 24.779 12.462 2.875 1.00 13.81 N ATOM 1421 CD2 HIS A 154 26.842 11.839 2.527 1.00 15.61 C ATOM 1422 CE1 HIS A 154 25.509 12.963 3.857 1.00 14.83 C ATOM 1423 NE2 HIS A 154 26.764 12.595 3.671 1.00 15.87 N ATOM 1424 H HIS A 154 22.916 12.759 0.006 1.00 0.00 H ATOM 1425 N SER A 155 24.752 11.913 -2.785 1.00 15.69 N ATOM 1426 CA SER A 155 24.315 11.425 -4.093 1.00 18.57 C ATOM 1427 C SER A 155 24.930 10.076 -4.464 1.00 19.49 C ATOM 1428 O SER A 155 24.304 9.279 -5.159 1.00 22.09 O ATOM 1429 CB SER A 155 24.652 12.458 -5.168 1.00 19.56 C ATOM 1430 OG SER A 155 26.047 12.712 -5.191 1.00 21.77 O ATOM 1431 HG SER A 155 26.248 13.382 -5.892 1.00 0.00 H ATOM 1432 H SER A 155 25.268 12.815 -2.740 1.00 0.00 H ATOM 1433 N ASP A 156 26.148 9.820 -3.992 1.00 20.92 N ATOM 1434 CA ASP A 156 26.849 8.589 -4.343 1.00 23.89 C ATOM 1435 C ASP A 156 26.360 7.356 -3.575 1.00 23.73 C ATOM 1436 O ASP A 156 26.721 6.232 -3.919 1.00 27.45 O ATOM 1437 CB ASP A 156 28.365 8.763 -4.156 1.00 28.71 C ATOM 1438 CG ASP A 156 28.824 8.512 -2.720 1.00 34.75 C ATOM 1439 OD1 ASP A 156 28.047 8.768 -1.767 1.00 31.24 O ATOM 1440 OD2 ASP A 156 29.978 8.057 -2.551 1.00 35.09 O ATOM 1441 H ASP A 156 26.608 10.509 -3.363 1.00 0.00 H ATOM 1442 N ALA A 157 25.552 7.567 -2.538 1.00 23.05 N ATOM 1443 CA ALA A 157 25.126 6.476 -1.662 1.00 21.01 C ATOM 1444 C ALA A 157 23.834 5.808 -2.128 1.00 23.00 C ATOM 1445 O ALA A 157 22.881 6.482 -2.531 1.00 19.96 O ATOM 1446 CB ALA A 157 24.971 6.976 -0.235 1.00 20.15 C ATOM 1447 H ALA A 157 25.215 8.532 -2.346 1.00 0.00 H ATOM 1448 N TYR A 158 23.824 4.477 -2.069 1.00 18.31 N ATOM 1449 CA TYR A 158 22.643 3.657 -2.361 1.00 21.84 C ATOM 1450 C TYR A 158 22.134 3.752 -3.803 1.00 23.30 C ATOM 1451 O TYR A 158 20.927 3.677 -4.053 1.00 23.55 O ATOM 1452 CB TYR A 158 21.519 3.956 -1.359 1.00 18.65 C ATOM 1453 CG TYR A 158 21.956 3.768 0.076 1.00 20.26 C ATOM 1454 CD1 TYR A 158 22.042 2.493 0.637 1.00 17.19 C ATOM 1455 CD2 TYR A 158 22.307 4.858 0.863 1.00 15.51 C ATOM 1456 CE1 TYR A 158 22.449 2.312 1.947 1.00 15.73 C ATOM 1457 CE2 TYR A 158 22.718 4.693 2.174 1.00 19.89 C ATOM 1458 CZ TYR A 158 22.789 3.421 2.711 1.00 19.59 C ATOM 1459 OH TYR A 158 23.196 3.260 4.015 1.00 18.07 O ATOM 1460 HH TYR A 158 23.193 2.297 4.244 1.00 0.00 H ATOM 1461 H TYR A 158 24.704 3.992 -1.801 1.00 0.00 H ATOM 1462 N ASN A 159 23.057 3.898 -4.748 1.00 24.47 N ATOM 1463 CA ASN A 159 22.704 3.897 -6.167 1.00 30.58 C ATOM 1464 C ASN A 159 22.614 2.486 -6.759 1.00 33.98 C ATOM 1465 O ASN A 159 21.749 1.693 -6.388 1.00 37.53 O ATOM 1466 CB ASN A 159 23.700 4.737 -6.959 1.00 32.44 C ATOM 1467 CG ASN A 159 23.502 6.221 -6.749 1.00 36.06 C ATOM 1468 OD1 ASN A 159 22.621 6.833 -7.349 1.00 39.60 O ATOM 1469 ND2 ASN A 159 24.332 6.812 -5.904 1.00 31.61 N ATOM 1470 OXT ASN A 159 23.401 2.095 -7.624 1.00 36.24 O ATOM 1471 HD22 ASN A 159 25.063 6.255 -5.418 1.00 0.00 H ATOM 1472 HD21 ASN A 159 24.253 7.834 -5.726 1.00 0.00 H ATOM 1473 H ASN A 159 24.053 4.016 -4.472 1.00 0.00 H TER 1474 ASN A 159 HETATM 1475 O HOH 1 20.267 -1.519 20.419 1.00 7.28 O HETATM 1476 O HOH 2 3.513 -10.897 12.735 1.00 11.20 O HETATM 1477 O HOH 3 13.024 -10.266 -1.965 1.00 7.69 O HETATM 1478 O HOH 4 24.202 1.533 13.440 1.00 12.88 O HETATM 1479 O HOH 5 7.900 5.993 30.068 1.00 11.92 O HETATM 1480 O HOH 6 7.985 -7.136 26.240 1.00 14.35 O HETATM 1481 O HOH 7 4.260 -10.885 6.079 1.00 12.39 O HETATM 1482 O HOH 8 4.225 -5.152 2.506 1.00 16.10 O HETATM 1483 O HOH 9 15.126 5.298 26.240 1.00 14.01 O HETATM 1484 O HOH 10 23.824 1.206 16.099 1.00 11.38 O HETATM 1485 O HOH 11 1.605 -4.274 27.195 1.00 11.28 O HETATM 1486 O HOH 12 5.104 -0.040 14.747 1.00 12.21 O HETATM 1487 O HOH 13 7.181 -9.520 26.397 1.00 18.13 O HETATM 1488 O HOH 14 6.628 12.262 -5.918 1.00 28.57 O HETATM 1489 O HOH 15 10.383 3.031 29.604 1.00 15.11 O HETATM 1490 O HOH 16 25.080 4.122 12.214 1.00 14.78 O HETATM 1491 O HOH 17 23.663 7.850 19.870 1.00 23.07 O HETATM 1492 O HOH 18 21.043 8.889 24.964 1.00 18.97 O HETATM 1493 O HOH 19 18.070 13.073 15.558 1.00 12.57 O HETATM 1494 O HOH 20 4.553 -7.832 9.442 1.00 12.68 O HETATM 1495 O HOH 21 15.796 -15.750 6.241 1.00 10.31 O HETATM 1496 O HOH 22 2.309 5.909 -8.075 1.00 24.03 O HETATM 1497 O HOH 23 29.491 13.559 2.201 1.00 32.61 O HETATM 1498 O HOH 24 17.746 9.603 -5.764 1.00 13.50 O HETATM 1499 O HOH 25 17.958 7.629 -7.762 1.00 10.35 O HETATM 1500 O HOH 26 16.427 6.225 -9.570 1.00 13.77 O HETATM 1501 O HOH 27 15.407 4.164 -7.715 1.00 13.72 O HETATM 1502 O HOH 28 17.919 3.057 -7.709 1.00 16.78 O HETATM 1503 O HOH 29 4.274 -10.857 23.356 1.00 12.18 O HETATM 1504 O HOH 30 17.707 2.761 25.690 1.00 14.18 O HETATM 1505 O HOH 31 10.336 0.696 28.239 1.00 12.06 O HETATM 1506 O HOH 32 23.461 7.422 17.230 1.00 14.56 O HETATM 1507 O HOH 33 19.851 13.674 7.776 1.00 9.03 O HETATM 1508 O HOH 34 6.074 10.907 -4.276 1.00 22.15 O HETATM 1509 O HOH 35 4.298 -14.584 15.638 1.00 16.89 O HETATM 1510 O HOH 36 6.978 -14.020 10.535 1.00 13.30 O HETATM 1511 O HOH 37 23.631 -1.880 13.256 1.00 15.55 O HETATM 1512 O HOH 38 7.064 -10.386 23.998 1.00 13.08 O HETATM 1513 O HOH 39 11.068 12.443 29.343 1.00 13.20 O HETATM 1514 O HOH 40 14.747 -10.646 25.352 1.00 28.89 O HETATM 1515 O HOH 41 9.771 -1.070 15.683 1.00 11.87 O HETATM 1516 O HOH 42 26.207 3.846 -4.853 1.00 22.33 O HETATM 1517 O HOH 43 18.121 -2.415 8.074 1.00 30.26 O HETATM 1518 O HOH 44 7.183 14.613 17.333 1.00 28.89 O HETATM 1519 O HOH 45 3.990 12.230 -9.847 1.00 25.79 O HETATM 1520 O HOH 46 8.180 -10.893 -5.112 1.00 11.54 O HETATM 1521 O HOH 47 27.554 4.512 10.770 1.00 22.74 O HETATM 1522 O HOH 48 6.854 1.226 -8.117 1.00 26.79 O HETATM 1523 S SDS A 49 14.568 14.982 16.062 1.00 -0.07 S HETATM 1524 O1S SDS A 49 14.047 16.084 15.167 1.00 -0.46 O HETATM 1525 O2S SDS A 49 13.403 14.201 16.629 1.00 -0.27 O HETATM 1526 C1 SDS A 49 13.597 13.578 17.882 1.00 0.07 C HETATM 1527 C12 SDS A 49 12.320 12.905 18.333 1.00 -0.03 C HETATM 1528 C11 SDS A 49 11.458 12.561 17.136 1.00 -0.05 C HETATM 1529 C10 SDS A 49 10.541 11.407 17.469 1.00 -0.05 C HETATM 1530 C9 SDS A 49 9.216 11.932 17.986 1.00 -0.05 C HETATM 1531 C8 SDS A 49 8.331 10.784 18.418 1.00 -0.05 C HETATM 1532 C7 SDS A 49 9.115 9.883 19.347 1.00 -0.05 C HETATM 1533 C6 SDS A 49 8.261 8.737 19.835 1.00 -0.05 C HETATM 1534 C5 SDS A 49 9.203 7.631 20.253 1.00 -0.05 C HETATM 1535 C4 SDS A 49 8.437 6.379 20.618 1.00 -0.05 C HETATM 1536 C3 SDS A 49 9.416 5.233 20.771 1.00 -0.06 C HETATM 1537 C2 SDS A 49 10.194 5.383 22.066 1.00 -0.07 C HETATM 1538 H3 SDS A 49 10.901 4.547 22.168 1.00 0.02 H HETATM 1539 H4 SDS A 49 9.496 5.378 22.916 1.00 0.02 H HETATM 1540 H5 SDS A 49 10.749 6.333 22.053 1.00 0.02 H HETATM 1541 H6 SDS A 49 8.864 4.282 20.786 1.00 0.03 H HETATM 1542 H7 SDS A 49 10.116 5.237 19.923 1.00 0.03 H HETATM 1543 H8 SDS A 49 7.902 6.537 21.566 1.00 0.03 H HETATM 1544 H9 SDS A 49 7.714 6.144 19.823 1.00 0.03 H HETATM 1545 H10 SDS A 49 9.886 7.406 19.421 1.00 0.03 H HETATM 1546 H11 SDS A 49 9.785 7.964 21.125 1.00 0.03 H HETATM 1547 H12 SDS A 49 7.652 9.058 20.692 1.00 0.03 H HETATM 1548 H13 SDS A 49 7.602 8.387 19.027 1.00 0.03 H HETATM 1549 H14 SDS A 49 9.985 9.480 18.808 1.00 0.03 H HETATM 1550 H15 SDS A 49 9.459 10.469 20.212 1.00 0.03 H HETATM 1551 H16 SDS A 49 7.447 11.176 18.943 1.00 0.03 H HETATM 1552 H17 SDS A 49 8.009 10.213 17.535 1.00 0.03 H HETATM 1553 H18 SDS A 49 9.398 12.594 18.846 1.00 0.03 H HETATM 1554 H19 SDS A 49 8.713 12.498 17.188 1.00 0.03 H HETATM 1555 H20 SDS A 49 10.367 10.807 16.564 1.00 0.03 H HETATM 1556 H21 SDS A 49 11.011 10.779 18.241 1.00 0.03 H HETATM 1557 H22 SDS A 49 10.854 13.438 16.859 1.00 0.03 H HETATM 1558 H23 SDS A 49 12.104 12.280 16.291 1.00 0.03 H HETATM 1559 H24 SDS A 49 11.766 13.585 18.996 1.00 0.03 H HETATM 1560 H25 SDS A 49 12.569 11.983 18.878 1.00 0.03 H HETATM 1561 H1 SDS A 49 13.890 14.336 18.623 1.00 0.06 H HETATM 1562 H2 SDS A 49 14.393 12.824 17.794 1.00 0.06 H HETATM 1563 O3S SDS A 49 15.469 15.521 17.145 1.00 -0.46 O HETATM 1564 O4 SDS A 49 15.518 14.076 15.300 1.00 -0.46 O CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1523 1524 1525 1563 1564 CONECT 1524 1523 CONECT 1525 1523 1526 CONECT 1526 1525 1527 1561 1562 CONECT 1527 1526 1528 1559 1560 CONECT 1528 1527 1529 1557 1558 CONECT 1529 1528 1530 1555 1556 CONECT 1530 1529 1531 1553 1554 CONECT 1531 1530 1532 1551 1552 CONECT 1532 1531 1533 1549 1550 CONECT 1533 1532 1534 1547 1548 CONECT 1534 1533 1535 1545 1546 CONECT 1535 1534 1536 1543 1544 CONECT 1536 1535 1537 1541 1542 CONECT 1537 1536 1538 1539 1540 CONECT 1538 1537 CONECT 1539 1537 CONECT 1540 1537 CONECT 1541 1536 CONECT 1542 1536 CONECT 1543 1535 CONECT 1544 1535 CONECT 1545 1534 CONECT 1546 1534 CONECT 1547 1533 CONECT 1548 1533 CONECT 1549 1532 CONECT 1550 1532 CONECT 1551 1531 CONECT 1552 1531 CONECT 1553 1530 CONECT 1554 1530 CONECT 1555 1529 CONECT 1556 1529 CONECT 1557 1528 CONECT 1558 1528 CONECT 1559 1527 CONECT 1560 1527 CONECT 1561 1526 CONECT 1562 1526 CONECT 1563 1523 CONECT 1564 1523 MASTER 0 0 0 0 0 0 0 0 1563 1 46 13 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 4qip
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1fsk
RCSB PDB
PDBbind
159aa, >1FSK_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3u90
RCSB PDB
PDBbind
SDS
4gny
RCSB PDB
PDBbind
SDS
Entry Information
PDB ID
4qip
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Major pollen allergen Bet v 1-A
Ligand Name
SDS
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=7uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Biophys.J. Vol. 107: pp. 2963-2972
Ligand Properties
Formula
C
1
2
H
2
8
O
4
S
Molecular Weight
268.413
Exact Mass
268.171
No. of atoms
45
No. of bonds
44
Polar Surface Area
95.22
LOGP Value
4.82 (
Computed with XLOGP3
)
5.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 0
Canonical SMILES
CCCCCCCCCCCCOS(O)(O)O
InChI String
InChI=1S/C12H28O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h13-15H,2-12H2,1H3
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):
P15494
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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