Browse entries in the PDBbind-CN Database
HEADER 5UR9_COMPLEX COMPND 5UR9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 134 ALA THR VAL GLN GLN LEU GLU GLY ARG TRP ARG LEU VAL SEQRES 2 A 134 ASP SER LYS GLY PHE ASP GLU TYR MET LYS GLU LEU GLY SEQRES 3 A 134 VAL GLY ILE ALA LEU ARG LYS MET GLY ALA MET ALA LYS SEQRES 4 A 134 PRO ASP CYS ILE ILE THR CYS ASP GLY LYS ASN LEU THR SEQRES 5 A 134 ILE LYS THR GLU SER THR LEU LYS THR THR GLN PHE SER SEQRES 6 A 134 CYS THR LEU GLY GLU LYS PHE GLU GLU THR THR ALA ASP SEQRES 7 A 134 GLY ARG LYS THR GLN THR VAL CYS ASN PHE THR ASP GLY SEQRES 8 A 134 ALA LEU VAL GLN HIS GLN GLU TRP ASP GLY LYS GLU SER SEQRES 9 A 134 THR ILE THR ARG LYS LEU LYS ASP GLY LYS LEU VAL VAL SEQRES 10 A 134 GLU CYS VAL MET ASN ASN VAL THR CYS THR ARG ILE TYR SEQRES 11 A 134 GLU LYS VAL GLU HET UNN A 188 53 ATOM 1 N ALA A 2 40.319 -1.003 0.815 1.00 49.38 N ATOM 2 CA ALA A 2 41.520 -0.189 0.783 1.00 43.90 C ATOM 3 C ALA A 2 41.618 0.590 -0.523 1.00 49.84 C ATOM 4 O ALA A 2 42.206 1.684 -0.549 1.00 48.83 O ATOM 5 CB ALA A 2 42.763 -1.060 0.979 1.00 43.57 C ATOM 6 HN3 ALA A 2 40.338 -1.678 0.024 1.00 0.00 H ATOM 7 HN2 ALA A 2 39.484 -0.390 0.729 1.00 0.00 H ATOM 8 HN1 ALA A 2 40.278 -1.522 1.715 1.00 0.00 H ATOM 9 N THR A 3 41.094 0.030 -1.620 1.00 43.57 N ATOM 10 CA THR A 3 41.057 0.758 -2.885 1.00 41.42 C ATOM 11 C THR A 3 39.666 0.701 -3.495 1.00 41.21 C ATOM 12 O THR A 3 38.897 -0.231 -3.239 1.00 41.45 O ATOM 13 CB THR A 3 42.059 0.196 -3.890 1.00 45.75 C ATOM 14 OG1 THR A 3 41.654 -1.129 -4.257 1.00 41.50 O ATOM 15 CG2 THR A 3 43.459 0.158 -3.282 1.00 40.28 C ATOM 16 HG1 THR A 3 40.752 -1.096 -4.665 1.00 0.00 H ATOM 17 H THR A 3 40.709 -0.935 -1.571 1.00 0.00 H ATOM 18 N VAL A 4 39.383 1.686 -4.358 1.00 32.70 N ATOM 19 CA VAL A 4 38.095 1.754 -5.044 1.00 33.93 C ATOM 20 C VAL A 4 37.927 0.576 -5.986 1.00 31.86 C ATOM 21 O VAL A 4 36.805 0.091 -6.201 1.00 30.35 O ATOM 22 CB VAL A 4 37.927 3.082 -5.812 1.00 32.64 C ATOM 23 CG1 VAL A 4 38.802 3.093 -7.017 1.00 31.87 C ATOM 24 CG2 VAL A 4 36.475 3.279 -6.219 1.00 30.74 C ATOM 25 H VAL A 4 40.097 2.419 -4.544 1.00 0.00 H ATOM 26 N GLN A 5 39.021 0.099 -6.570 1.00 31.46 N ATOM 27 CA GLN A 5 38.928 -1.034 -7.480 1.00 33.59 C ATOM 28 C GLN A 5 38.393 -2.273 -6.789 1.00 30.66 C ATOM 29 O GLN A 5 37.787 -3.130 -7.441 1.00 34.67 O ATOM 30 CB GLN A 5 40.300 -1.301 -8.098 1.00 39.52 C ATOM 31 CG GLN A 5 40.948 -0.011 -8.543 1.00 40.31 C ATOM 32 CD GLN A 5 42.000 -0.216 -9.603 1.00 48.18 C ATOM 33 OE1 GLN A 5 41.979 -1.205 -10.338 1.00 59.85 O ATOM 34 NE2 GLN A 5 42.923 0.725 -9.699 1.00 40.76 N ATOM 35 HE22 GLN A 5 42.901 1.543 -9.057 1.00 0.00 H ATOM 36 HE21 GLN A 5 43.671 0.648 -10.417 1.00 0.00 H ATOM 37 H GLN A 5 39.945 0.535 -6.377 1.00 0.00 H ATOM 38 N GLN A 6 38.596 -2.402 -5.477 1.00 34.02 N ATOM 39 CA GLN A 6 37.984 -3.543 -4.809 1.00 33.07 C ATOM 40 C GLN A 6 36.474 -3.422 -4.749 1.00 33.42 C ATOM 41 O GLN A 6 35.798 -4.445 -4.594 1.00 33.70 O ATOM 42 CB GLN A 6 38.547 -3.733 -3.405 1.00 39.24 C ATOM 43 CG GLN A 6 39.998 -4.175 -3.405 1.00 45.37 C ATOM 44 CD GLN A 6 40.591 -4.219 -2.022 1.00 48.99 C ATOM 45 OE1 GLN A 6 40.319 -3.357 -1.187 1.00 49.84 O ATOM 46 NE2 GLN A 6 41.372 -5.262 -1.751 1.00 57.11 N ATOM 47 HE22 GLN A 6 41.574 -5.966 -2.489 1.00 0.00 H ATOM 48 HE21 GLN A 6 41.780 -5.373 -0.801 1.00 0.00 H ATOM 49 H GLN A 6 39.170 -1.713 -4.950 1.00 0.00 H ATOM 50 N LEU A 7 35.924 -2.208 -4.881 1.00 29.99 N ATOM 51 CA LEU A 7 34.472 -2.059 -4.916 1.00 30.60 C ATOM 52 C LEU A 7 33.874 -2.256 -6.314 1.00 29.44 C ATOM 53 O LEU A 7 32.661 -2.464 -6.428 1.00 31.23 O ATOM 54 CB LEU A 7 34.079 -0.676 -4.373 1.00 28.34 C ATOM 55 CG LEU A 7 34.627 -0.317 -2.986 1.00 32.77 C ATOM 56 CD1 LEU A 7 34.265 1.121 -2.604 1.00 34.40 C ATOM 57 CD2 LEU A 7 34.178 -1.295 -1.895 1.00 32.12 C ATOM 58 H LEU A 7 36.533 -1.369 -4.959 1.00 0.00 H ATOM 59 N GLU A 8 34.684 -2.219 -7.369 1.00 24.97 N ATOM 60 CA GLU A 8 34.158 -2.349 -8.722 1.00 27.89 C ATOM 61 C GLU A 8 33.647 -3.757 -8.985 1.00 32.12 C ATOM 62 O GLU A 8 34.271 -4.737 -8.574 1.00 26.24 O ATOM 63 CB GLU A 8 35.222 -2.012 -9.745 1.00 25.81 C ATOM 64 CG GLU A 8 35.420 -0.517 -9.920 1.00 32.89 C ATOM 65 CD GLU A 8 36.443 -0.208 -10.994 1.00 36.56 C ATOM 66 OE1 GLU A 8 37.565 0.099 -10.578 1.00 34.53 O ATOM 67 OE2 GLU A 8 36.130 -0.268 -12.226 1.00 37.50 O ATOM 68 H GLU A 8 35.707 -2.096 -7.226 1.00 0.00 H ATOM 69 N GLY A 9 32.542 -3.851 -9.743 1.00 28.41 N ATOM 70 CA GLY A 9 31.945 -5.102 -10.140 1.00 29.75 C ATOM 71 C GLY A 9 30.464 -5.112 -9.851 1.00 30.69 C ATOM 72 O GLY A 9 29.857 -4.083 -9.534 1.00 30.52 O ATOM 73 H GLY A 9 32.091 -2.970 -10.062 1.00 0.00 H ATOM 74 N ARG A 10 29.873 -6.302 -9.982 1.00 31.26 N ATOM 75 CA ARG A 10 28.460 -6.544 -9.718 1.00 26.80 C ATOM 76 C ARG A 10 28.289 -7.267 -8.386 1.00 31.17 C ATOM 77 O ARG A 10 28.953 -8.287 -8.122 1.00 32.77 O ATOM 78 CB ARG A 10 27.832 -7.352 -10.849 1.00 30.12 C ATOM 79 CG ARG A 10 26.394 -7.720 -10.611 1.00 34.91 C ATOM 80 CD ARG A 10 25.851 -8.521 -11.770 1.00 38.45 C ATOM 81 NE ARG A 10 25.619 -7.724 -12.966 1.00 43.15 N ATOM 82 CZ ARG A 10 24.431 -7.201 -13.263 1.00 41.17 C ATOM 83 NH1 ARG A 10 23.409 -7.402 -12.437 1.00 36.46 N ATOM 84 NH2 ARG A 10 24.258 -6.494 -14.374 1.00 42.44 N ATOM 85 HE ARG A 10 26.414 -7.556 -13.615 1.00 0.00 H ATOM 86 HH12 ARG A 10 22.476 -6.999 -12.657 1.00 0.00 H ATOM 87 HH11 ARG A 10 23.543 -7.962 -11.571 1.00 0.00 H ATOM 88 HH22 ARG A 10 23.325 -6.091 -14.594 1.00 0.00 H ATOM 89 HH21 ARG A 10 25.056 -6.343 -15.024 1.00 0.00 H ATOM 90 H ARG A 10 30.456 -7.105 -10.291 1.00 0.00 H ATOM 91 N TRP A 11 27.408 -6.709 -7.557 1.00 24.24 N ATOM 92 CA TRP A 11 27.094 -7.119 -6.204 1.00 27.99 C ATOM 93 C TRP A 11 25.599 -7.445 -6.095 1.00 31.70 C ATOM 94 O TRP A 11 24.763 -6.786 -6.731 1.00 27.60 O ATOM 95 CB TRP A 11 27.460 -5.993 -5.221 1.00 26.20 C ATOM 96 CG TRP A 11 28.899 -5.566 -5.297 1.00 27.88 C ATOM 97 CD1 TRP A 11 29.430 -4.601 -6.099 1.00 26.93 C ATOM 98 CD2 TRP A 11 29.989 -6.112 -4.542 1.00 32.00 C ATOM 99 NE1 TRP A 11 30.782 -4.505 -5.879 1.00 29.85 N ATOM 100 CE2 TRP A 11 31.150 -5.429 -4.934 1.00 28.14 C ATOM 101 CE3 TRP A 11 30.094 -7.131 -3.581 1.00 30.04 C ATOM 102 CZ2 TRP A 11 32.405 -5.726 -4.398 1.00 27.25 C ATOM 103 CZ3 TRP A 11 31.323 -7.398 -3.034 1.00 25.81 C ATOM 104 CH2 TRP A 11 32.463 -6.706 -3.442 1.00 28.01 C ATOM 105 HE1 TRP A 11 31.424 -3.838 -6.353 1.00 0.00 H ATOM 106 H TRP A 11 26.887 -5.886 -7.923 1.00 0.00 H ATOM 107 N ARG A 12 25.260 -8.500 -5.351 1.00 28.87 N ATOM 108 CA ARG A 12 23.869 -8.915 -5.167 1.00 28.31 C ATOM 109 C ARG A 12 23.479 -8.705 -3.710 1.00 27.82 C ATOM 110 O ARG A 12 24.248 -9.051 -2.805 1.00 29.16 O ATOM 111 CB ARG A 12 23.668 -10.374 -5.581 1.00 30.02 C ATOM 112 CG ARG A 12 22.208 -10.902 -5.548 1.00 23.41 C ATOM 113 CD ARG A 12 22.091 -11.937 -6.623 1.00 22.21 C ATOM 114 NE ARG A 12 22.329 -11.346 -7.923 1.00 29.46 N ATOM 115 CZ ARG A 12 22.742 -12.002 -8.996 1.00 29.63 C ATOM 116 NH1 ARG A 12 23.000 -13.308 -8.946 1.00 31.70 N ATOM 117 NH2 ARG A 12 22.922 -11.332 -10.118 1.00 31.13 N ATOM 118 HE ARG A 12 22.162 -10.324 -8.022 1.00 0.00 H ATOM 119 HH12 ARG A 12 23.324 -13.807 -9.799 1.00 0.00 H ATOM 120 HH11 ARG A 12 22.878 -13.828 -8.054 1.00 0.00 H ATOM 121 HH22 ARG A 12 23.246 -11.827 -10.973 1.00 0.00 H ATOM 122 HH21 ARG A 12 22.740 -10.308 -10.147 1.00 0.00 H ATOM 123 H ARG A 12 26.012 -9.047 -4.885 1.00 0.00 H ATOM 124 N LEU A 13 22.309 -8.121 -3.477 1.00 24.20 N ATOM 125 CA LEU A 13 21.881 -7.858 -2.105 1.00 27.51 C ATOM 126 C LEU A 13 21.629 -9.169 -1.363 1.00 35.65 C ATOM 127 O LEU A 13 20.852 -10.016 -1.824 1.00 36.59 O ATOM 128 CB LEU A 13 20.608 -7.019 -2.086 1.00 28.03 C ATOM 129 CG LEU A 13 20.146 -6.656 -0.668 1.00 33.58 C ATOM 130 CD1 LEU A 13 21.107 -5.645 -0.032 1.00 28.23 C ATOM 131 CD2 LEU A 13 18.710 -6.128 -0.663 1.00 28.96 C ATOM 132 H LEU A 13 21.696 -7.850 -4.273 1.00 0.00 H ATOM 133 N VAL A 14 22.259 -9.340 -0.204 1.00 31.29 N ATOM 134 CA VAL A 14 22.020 -10.532 0.599 1.00 32.14 C ATOM 135 C VAL A 14 21.466 -10.225 1.980 1.00 35.85 C ATOM 136 O VAL A 14 20.958 -11.146 2.641 1.00 38.77 O ATOM 137 CB VAL A 14 23.282 -11.412 0.721 1.00 32.76 C ATOM 138 CG1 VAL A 14 23.746 -11.859 -0.659 1.00 32.37 C ATOM 139 CG2 VAL A 14 24.379 -10.720 1.528 1.00 31.84 C ATOM 140 H VAL A 14 22.927 -8.617 0.132 1.00 0.00 H ATOM 141 N ASP A 15 21.580 -8.998 2.484 1.00 32.43 N ATOM 142 CA ASP A 15 20.968 -8.747 3.782 1.00 30.70 C ATOM 143 C ASP A 15 20.667 -7.264 3.892 1.00 37.38 C ATOM 144 O ASP A 15 21.302 -6.440 3.227 1.00 35.87 O ATOM 145 CB ASP A 15 21.857 -9.214 4.941 1.00 34.00 C ATOM 146 CG ASP A 15 21.131 -9.214 6.272 1.00 43.43 C ATOM 147 OD1 ASP A 15 20.246 -10.064 6.479 1.00 48.11 O ATOM 148 OD2 ASP A 15 21.421 -8.337 7.111 1.00 48.87 O ATOM 149 H ASP A 15 22.086 -8.248 1.971 1.00 0.00 H ATOM 150 N SER A 16 19.677 -6.933 4.720 1.00 34.60 N ATOM 151 CA SER A 16 19.238 -5.551 4.855 1.00 35.59 C ATOM 152 C SER A 16 18.644 -5.322 6.239 1.00 39.66 C ATOM 153 O SER A 16 17.915 -6.168 6.751 1.00 36.19 O ATOM 154 CB SER A 16 18.213 -5.214 3.768 1.00 34.17 C ATOM 155 OG SER A 16 17.745 -3.891 3.910 1.00 35.65 O ATOM 156 HG SER A 16 17.085 -3.697 3.198 1.00 0.00 H ATOM 157 H SER A 16 19.210 -7.675 5.280 1.00 0.00 H ATOM 158 N LYS A 17 18.935 -4.163 6.826 1.00 36.84 N ATOM 159 CA LYS A 17 18.487 -3.844 8.177 1.00 31.63 C ATOM 160 C LYS A 17 18.269 -2.341 8.287 1.00 35.49 C ATOM 161 O LYS A 17 19.201 -1.566 8.056 1.00 38.42 O ATOM 162 CB LYS A 17 19.522 -4.311 9.201 1.00 42.37 C ATOM 163 CG LYS A 17 19.303 -3.790 10.612 1.00 47.75 C ATOM 164 CD LYS A 17 20.567 -3.933 11.473 1.00 47.82 C ATOM 165 CE LYS A 17 20.226 -3.863 12.975 1.00 53.38 C ATOM 166 NZ LYS A 17 19.384 -5.023 13.427 1.00 56.73 N ATOM 167 HZ1 LYS A 17 18.491 -5.030 12.895 1.00 0.00 H ATOM 168 HZ2 LYS A 17 19.898 -5.911 13.255 1.00 0.00 H ATOM 169 HZ3 LYS A 17 19.183 -4.929 14.443 1.00 0.00 H ATOM 170 H LYS A 17 19.500 -3.463 6.305 1.00 0.00 H ATOM 171 N GLY A 18 17.057 -1.935 8.648 1.00 32.77 N ATOM 172 CA GLY A 18 16.735 -0.537 8.852 1.00 34.51 C ATOM 173 C GLY A 18 16.444 0.246 7.589 1.00 36.79 C ATOM 174 O GLY A 18 16.338 1.481 7.649 1.00 34.51 O ATOM 175 H GLY A 18 16.312 -2.647 8.789 1.00 0.00 H ATOM 176 N PHE A 19 16.277 -0.430 6.454 1.00 31.89 N ATOM 177 CA PHE A 19 16.044 0.289 5.213 1.00 31.73 C ATOM 178 C PHE A 19 14.710 1.018 5.252 1.00 34.18 C ATOM 179 O PHE A 19 14.614 2.152 4.771 1.00 33.98 O ATOM 180 CB PHE A 19 16.147 -0.661 4.024 1.00 33.35 C ATOM 181 CG PHE A 19 16.208 0.039 2.685 1.00 36.08 C ATOM 182 CD1 PHE A 19 17.046 1.137 2.499 1.00 33.68 C ATOM 183 CD2 PHE A 19 15.466 -0.438 1.597 1.00 32.91 C ATOM 184 CE1 PHE A 19 17.121 1.772 1.267 1.00 33.55 C ATOM 185 CE2 PHE A 19 15.540 0.178 0.361 1.00 33.63 C ATOM 186 CZ PHE A 19 16.377 1.288 0.193 1.00 33.22 C ATOM 187 H PHE A 19 16.313 -1.469 6.456 1.00 0.00 H ATOM 188 N ASP A 20 13.676 0.402 5.847 1.00 34.71 N ATOM 189 CA ASP A 20 12.382 1.075 5.960 1.00 33.05 C ATOM 190 C ASP A 20 12.484 2.336 6.823 1.00 36.94 C ATOM 191 O ASP A 20 11.930 3.389 6.475 1.00 37.05 O ATOM 192 CB ASP A 20 11.325 0.124 6.529 1.00 38.07 C ATOM 193 CG ASP A 20 9.917 0.702 6.433 1.00 39.75 C ATOM 194 OD1 ASP A 20 9.456 0.959 5.304 1.00 39.70 O ATOM 195 OD2 ASP A 20 9.285 0.950 7.477 1.00 46.35 O ATOM 196 H ASP A 20 13.795 -0.558 6.229 1.00 0.00 H ATOM 197 N GLU A 21 13.200 2.260 7.946 1.00 31.28 N ATOM 198 CA GLU A 21 13.370 3.448 8.775 1.00 33.43 C ATOM 199 C GLU A 21 14.154 4.528 8.038 1.00 34.46 C ATOM 200 O GLU A 21 13.888 5.726 8.193 1.00 34.05 O ATOM 201 CB GLU A 21 14.074 3.082 10.079 1.00 39.63 C ATOM 202 CG GLU A 21 13.839 4.069 11.219 1.00 44.97 C ATOM 203 CD GLU A 21 13.963 3.407 12.597 1.00 53.53 C ATOM 204 OE1 GLU A 21 13.968 2.148 12.665 1.00 53.02 O ATOM 205 OE2 GLU A 21 14.067 4.144 13.606 1.00 54.22 O ATOM 206 H GLU A 21 13.635 1.359 8.229 1.00 0.00 H ATOM 207 N TYR A 22 15.136 4.124 7.238 1.00 36.62 N ATOM 208 CA TYR A 22 15.919 5.111 6.511 1.00 33.20 C ATOM 209 C TYR A 22 15.062 5.805 5.451 1.00 32.39 C ATOM 210 O TYR A 22 15.020 7.041 5.378 1.00 35.52 O ATOM 211 CB TYR A 22 17.168 4.444 5.913 1.00 31.48 C ATOM 212 CG TYR A 22 17.923 5.341 4.979 1.00 33.39 C ATOM 213 CD1 TYR A 22 18.610 6.445 5.466 1.00 28.84 C ATOM 214 CD2 TYR A 22 17.943 5.090 3.599 1.00 29.21 C ATOM 215 CE1 TYR A 22 19.298 7.276 4.618 1.00 29.12 C ATOM 216 CE2 TYR A 22 18.637 5.912 2.740 1.00 31.55 C ATOM 217 CZ TYR A 22 19.310 7.014 3.262 1.00 32.82 C ATOM 218 OH TYR A 22 20.004 7.851 2.434 1.00 31.22 O ATOM 219 HH TYR A 22 20.417 8.574 2.969 1.00 0.00 H ATOM 220 H TYR A 22 15.343 3.110 7.133 1.00 0.00 H ATOM 221 N MET A 23 14.320 5.029 4.660 1.00 32.22 N ATOM 222 CA MET A 23 13.452 5.642 3.660 1.00 36.34 C ATOM 223 C MET A 23 12.406 6.535 4.320 1.00 35.21 C ATOM 224 O MET A 23 12.121 7.639 3.844 1.00 36.26 O ATOM 225 CB MET A 23 12.801 4.555 2.808 1.00 37.13 C ATOM 226 CG MET A 23 13.738 3.916 1.790 1.00 28.51 C ATOM 227 SD MET A 23 12.822 2.735 0.793 1.00 35.00 S ATOM 228 CE MET A 23 12.401 1.485 2.017 1.00 36.86 C ATOM 229 H MET A 23 14.360 3.994 4.755 1.00 0.00 H ATOM 230 N LYS A 24 11.861 6.095 5.448 1.00 39.59 N ATOM 231 CA LYS A 24 10.915 6.923 6.185 1.00 38.63 C ATOM 232 C LYS A 24 11.545 8.256 6.572 1.00 38.04 C ATOM 233 O LYS A 24 10.921 9.317 6.430 1.00 40.09 O ATOM 234 CB LYS A 24 10.421 6.117 7.389 1.00 44.76 C ATOM 235 CG LYS A 24 9.250 6.645 8.178 1.00 47.48 C ATOM 236 CD LYS A 24 8.656 5.473 8.974 1.00 51.94 C ATOM 237 CE LYS A 24 8.176 5.862 10.363 1.00 61.60 C ATOM 238 NZ LYS A 24 9.327 5.980 11.312 1.00 68.75 N ATOM 239 HZ1 LYS A 24 9.821 5.066 11.372 1.00 0.00 H ATOM 240 HZ2 LYS A 24 9.985 6.709 10.969 1.00 0.00 H ATOM 241 HZ3 LYS A 24 8.973 6.246 12.253 1.00 0.00 H ATOM 242 H LYS A 24 12.111 5.152 5.808 1.00 0.00 H ATOM 243 N GLU A 25 12.800 8.227 7.028 1.00 36.58 N ATOM 244 CA GLU A 25 13.492 9.470 7.341 1.00 34.60 C ATOM 245 C GLU A 25 13.655 10.341 6.095 1.00 38.47 C ATOM 246 O GLU A 25 13.622 11.573 6.198 1.00 37.23 O ATOM 247 CB GLU A 25 14.845 9.144 7.967 1.00 34.74 C ATOM 248 CG GLU A 25 15.570 10.250 8.762 1.00 35.09 C ATOM 249 CD GLU A 25 14.800 10.773 9.991 1.00 43.21 C ATOM 250 OE1 GLU A 25 14.077 9.992 10.643 1.00 35.64 O ATOM 251 OE2 GLU A 25 15.032 11.938 10.385 1.00 47.51 O ATOM 252 H GLU A 25 13.284 7.316 7.160 1.00 0.00 H ATOM 253 N LEU A 26 13.853 9.728 4.918 1.00 32.91 N ATOM 254 CA LEU A 26 13.951 10.496 3.675 1.00 34.65 C ATOM 255 C LEU A 26 12.632 11.112 3.239 1.00 34.37 C ATOM 256 O LEU A 26 12.640 11.926 2.316 1.00 40.84 O ATOM 257 CB LEU A 26 14.467 9.646 2.511 1.00 30.37 C ATOM 258 CG LEU A 26 15.919 9.194 2.456 1.00 31.69 C ATOM 259 CD1 LEU A 26 16.073 8.181 1.337 1.00 30.80 C ATOM 260 CD2 LEU A 26 16.845 10.384 2.248 1.00 31.26 C ATOM 261 H LEU A 26 13.938 8.692 4.888 1.00 0.00 H ATOM 262 N GLY A 27 11.511 10.710 3.821 1.00 37.04 N ATOM 263 CA GLY A 27 10.215 11.208 3.401 1.00 32.82 C ATOM 264 C GLY A 27 9.526 10.360 2.364 1.00 34.71 C ATOM 265 O GLY A 27 8.566 10.823 1.743 1.00 43.92 O ATOM 266 H GLY A 27 11.562 10.021 4.598 1.00 0.00 H ATOM 267 N VAL A 28 9.962 9.130 2.176 1.00 36.22 N ATOM 268 CA VAL A 28 9.397 8.255 1.161 1.00 37.20 C ATOM 269 C VAL A 28 8.058 7.727 1.646 1.00 42.28 C ATOM 270 O VAL A 28 7.927 7.319 2.807 1.00 44.45 O ATOM 271 CB VAL A 28 10.363 7.093 0.869 1.00 37.30 C ATOM 272 CG1 VAL A 28 9.781 6.169 -0.187 1.00 35.50 C ATOM 273 CG2 VAL A 28 11.738 7.608 0.469 1.00 31.58 C ATOM 274 H VAL A 28 10.735 8.774 2.773 1.00 0.00 H ATOM 275 N GLY A 29 7.061 7.710 0.752 1.00 43.09 N ATOM 276 CA GLY A 29 5.763 7.162 1.098 1.00 39.42 C ATOM 277 C GLY A 29 5.812 5.660 1.338 1.00 50.05 C ATOM 278 O GLY A 29 6.746 4.955 0.939 1.00 43.65 O ATOM 279 H GLY A 29 7.219 8.094 -0.201 1.00 0.00 H ATOM 280 N ILE A 30 4.778 5.162 2.025 1.00 49.18 N ATOM 281 CA ILE A 30 4.763 3.760 2.442 1.00 47.48 C ATOM 282 C ILE A 30 4.781 2.838 1.227 1.00 45.89 C ATOM 283 O ILE A 30 5.352 1.739 1.265 1.00 46.79 O ATOM 284 CB ILE A 30 3.548 3.482 3.351 1.00 53.93 C ATOM 285 CG1 ILE A 30 3.488 2.007 3.754 1.00 54.21 C ATOM 286 CG2 ILE A 30 2.259 3.854 2.665 1.00 47.46 C ATOM 287 CD1 ILE A 30 4.579 1.577 4.713 1.00 55.99 C ATOM 288 H ILE A 30 3.976 5.779 2.265 1.00 0.00 H ATOM 289 N ALA A 31 4.127 3.249 0.141 1.00 45.31 N ATOM 290 CA ALA A 31 4.087 2.410 -1.058 1.00 48.53 C ATOM 291 C ALA A 31 5.487 2.216 -1.633 1.00 43.88 C ATOM 292 O ALA A 31 5.922 1.083 -1.908 1.00 42.69 O ATOM 293 CB ALA A 31 3.152 3.035 -2.099 1.00 42.71 C ATOM 294 H ALA A 31 3.643 4.170 0.145 1.00 0.00 H ATOM 295 N LEU A 32 6.215 3.321 -1.820 1.00 43.31 N ATOM 296 CA LEU A 32 7.580 3.210 -2.315 1.00 41.37 C ATOM 297 C LEU A 32 8.459 2.475 -1.314 1.00 35.50 C ATOM 298 O LEU A 32 9.311 1.691 -1.719 1.00 33.48 O ATOM 299 CB LEU A 32 8.146 4.595 -2.646 1.00 34.92 C ATOM 300 CG LEU A 32 9.471 4.654 -3.425 1.00 33.39 C ATOM 301 CD1 LEU A 32 9.428 3.826 -4.685 1.00 32.02 C ATOM 302 CD2 LEU A 32 9.812 6.091 -3.767 1.00 30.58 C ATOM 303 H LEU A 32 5.809 4.256 -1.613 1.00 0.00 H ATOM 304 N ARG A 33 8.228 2.670 -0.011 1.00 37.55 N ATOM 305 CA ARG A 33 8.997 1.941 0.998 1.00 39.60 C ATOM 306 C ARG A 33 8.803 0.438 0.877 1.00 40.10 C ATOM 307 O ARG A 33 9.759 -0.328 1.013 1.00 39.08 O ATOM 308 CB ARG A 33 8.618 2.397 2.404 1.00 42.28 C ATOM 309 CG ARG A 33 8.909 3.846 2.683 1.00 42.26 C ATOM 310 CD ARG A 33 9.339 4.038 4.113 1.00 41.77 C ATOM 311 NE ARG A 33 8.419 3.395 5.047 1.00 49.63 N ATOM 312 CZ ARG A 33 7.321 3.985 5.511 1.00 51.39 C ATOM 313 NH1 ARG A 33 7.007 5.209 5.100 1.00 50.97 N ATOM 314 NH2 ARG A 33 6.535 3.358 6.372 1.00 54.10 N ATOM 315 HE ARG A 33 8.633 2.428 5.365 1.00 0.00 H ATOM 316 HH12 ARG A 33 6.149 5.674 5.460 1.00 0.00 H ATOM 317 HH11 ARG A 33 7.619 5.702 4.418 1.00 0.00 H ATOM 318 HH22 ARG A 33 5.678 3.826 6.730 1.00 0.00 H ATOM 319 HH21 ARG A 33 6.774 2.397 6.690 1.00 0.00 H ATOM 320 H ARG A 33 7.496 3.345 0.287 1.00 0.00 H ATOM 321 N LYS A 34 7.577 -0.009 0.627 1.00 40.26 N ATOM 322 CA LYS A 34 7.369 -1.444 0.518 1.00 41.48 C ATOM 323 C LYS A 34 7.966 -1.984 -0.768 1.00 42.82 C ATOM 324 O LYS A 34 8.571 -3.061 -0.772 1.00 50.65 O ATOM 325 CB LYS A 34 5.881 -1.772 0.621 1.00 51.69 C ATOM 326 CG LYS A 34 5.349 -1.693 2.065 1.00 56.46 C ATOM 327 CD LYS A 34 6.069 -2.679 2.997 1.00 52.48 C ATOM 328 CE LYS A 34 5.788 -2.350 4.466 1.00 56.69 C ATOM 329 NZ LYS A 34 6.209 -0.944 4.838 1.00 50.41 N ATOM 330 HZ1 LYS A 34 7.230 -0.835 4.675 1.00 0.00 H ATOM 331 HZ2 LYS A 34 5.688 -0.261 4.252 1.00 0.00 H ATOM 332 HZ3 LYS A 34 5.997 -0.774 5.842 1.00 0.00 H ATOM 333 H LYS A 34 6.783 0.653 0.512 1.00 0.00 H ATOM 334 N MET A 35 7.823 -1.249 -1.869 1.00 43.58 N ATOM 335 CA MET A 35 8.463 -1.679 -3.109 1.00 40.27 C ATOM 336 C MET A 35 9.984 -1.743 -2.939 1.00 40.73 C ATOM 337 O MET A 35 10.625 -2.725 -3.333 1.00 38.53 O ATOM 338 CB MET A 35 7.998 -0.754 -4.246 1.00 41.94 C ATOM 339 CG MET A 35 8.544 -0.981 -5.652 1.00 47.35 C ATOM 340 SD MET A 35 7.461 -0.186 -6.903 1.00 53.41 S ATOM 341 CE MET A 35 7.449 1.545 -6.447 1.00 37.64 C ATOM 342 H MET A 35 7.260 -0.375 -1.846 1.00 0.00 H ATOM 343 N GLY A 36 10.571 -0.729 -2.299 1.00 37.37 N ATOM 344 CA GLY A 36 12.010 -0.723 -2.082 1.00 40.16 C ATOM 345 C GLY A 36 12.462 -1.841 -1.155 1.00 42.94 C ATOM 346 O GLY A 36 13.485 -2.484 -1.396 1.00 41.65 O ATOM 347 H GLY A 36 9.994 0.064 -1.952 1.00 0.00 H ATOM 348 N ALA A 37 11.697 -2.092 -0.093 1.00 43.93 N ATOM 349 CA ALA A 37 11.978 -3.215 0.796 1.00 47.74 C ATOM 350 C ALA A 37 11.917 -4.552 0.066 1.00 47.98 C ATOM 351 O ALA A 37 12.747 -5.434 0.314 1.00 54.02 O ATOM 352 CB ALA A 37 10.986 -3.218 1.961 1.00 41.30 C ATOM 353 H ALA A 37 10.884 -1.475 0.106 1.00 0.00 H ATOM 354 N MET A 38 10.952 -4.730 -0.842 1.00 43.75 N ATOM 355 CA MET A 38 10.838 -6.025 -1.514 1.00 43.00 C ATOM 356 C MET A 38 11.924 -6.235 -2.555 1.00 41.54 C ATOM 357 O MET A 38 12.239 -7.379 -2.888 1.00 43.22 O ATOM 358 CB MET A 38 9.459 -6.196 -2.157 1.00 48.28 C ATOM 359 CG MET A 38 8.344 -6.511 -1.150 1.00 55.77 C ATOM 360 SD MET A 38 6.725 -6.850 -1.891 1.00 62.54 S ATOM 361 CE MET A 38 6.122 -5.202 -2.254 1.00 49.66 C ATOM 362 H MET A 38 10.292 -3.959 -1.068 1.00 0.00 H ATOM 363 N ALA A 39 12.480 -5.166 -3.105 1.00 37.79 N ATOM 364 CA ALA A 39 13.446 -5.329 -4.177 1.00 37.43 C ATOM 365 C ALA A 39 14.726 -5.990 -3.664 1.00 33.67 C ATOM 366 O ALA A 39 15.115 -5.856 -2.500 1.00 36.91 O ATOM 367 CB ALA A 39 13.758 -3.975 -4.819 1.00 37.60 C ATOM 368 H ALA A 39 12.226 -4.215 -2.771 1.00 0.00 H ATOM 369 N LYS A 40 15.366 -6.736 -4.547 1.00 30.98 N ATOM 370 CA LYS A 40 16.621 -7.429 -4.258 1.00 39.91 C ATOM 371 C LYS A 40 17.602 -7.029 -5.355 1.00 35.08 C ATOM 372 O LYS A 40 17.976 -7.847 -6.201 1.00 40.60 O ATOM 373 CB LYS A 40 16.417 -8.950 -4.196 1.00 42.60 C ATOM 374 CG LYS A 40 16.174 -9.525 -2.782 1.00 42.47 C ATOM 375 CD LYS A 40 15.064 -8.784 -2.000 1.00 48.41 C ATOM 376 CE LYS A 40 14.816 -9.402 -0.601 1.00 44.58 C ATOM 377 NZ LYS A 40 14.455 -10.861 -0.709 1.00 49.16 N ATOM 378 HZ1 LYS A 40 13.589 -10.962 -1.276 1.00 0.00 H ATOM 379 HZ2 LYS A 40 15.233 -11.376 -1.168 1.00 0.00 H ATOM 380 HZ3 LYS A 40 14.295 -11.249 0.243 1.00 0.00 H ATOM 381 H LYS A 40 14.956 -6.836 -5.497 1.00 0.00 H ATOM 382 N PRO A 41 18.003 -5.755 -5.387 1.00 33.37 N ATOM 383 CA PRO A 41 18.698 -5.215 -6.564 1.00 36.72 C ATOM 384 C PRO A 41 20.170 -5.562 -6.560 1.00 36.22 C ATOM 385 O PRO A 41 20.807 -5.603 -5.506 1.00 42.97 O ATOM 386 CB PRO A 41 18.513 -3.695 -6.429 1.00 35.30 C ATOM 387 CG PRO A 41 17.586 -3.494 -5.267 1.00 41.30 C ATOM 388 CD PRO A 41 17.710 -4.706 -4.403 1.00 33.13 C ATOM 389 N ASP A 42 20.693 -5.854 -7.751 1.00 29.68 N ATOM 390 CA ASP A 42 22.129 -5.824 -7.966 1.00 25.58 C ATOM 391 C ASP A 42 22.616 -4.374 -8.014 1.00 31.93 C ATOM 392 O ASP A 42 21.928 -3.470 -8.497 1.00 26.68 O ATOM 393 CB ASP A 42 22.499 -6.517 -9.279 1.00 29.01 C ATOM 394 CG ASP A 42 22.362 -8.027 -9.217 1.00 29.87 C ATOM 395 OD1 ASP A 42 21.900 -8.555 -8.190 1.00 29.76 O ATOM 396 OD2 ASP A 42 22.748 -8.685 -10.204 1.00 31.98 O ATOM 397 H ASP A 42 20.063 -6.107 -8.539 1.00 0.00 H ATOM 398 N CYS A 43 23.829 -4.166 -7.524 1.00 33.19 N ATOM 399 CA CYS A 43 24.523 -2.890 -7.592 1.00 22.06 C ATOM 400 C CYS A 43 25.783 -3.096 -8.414 1.00 26.67 C ATOM 401 O CYS A 43 26.560 -4.013 -8.132 1.00 29.76 O ATOM 402 CB CYS A 43 24.834 -2.379 -6.189 1.00 23.60 C ATOM 403 SG CYS A 43 25.878 -0.890 -6.121 1.00 32.30 S ATOM 404 H CYS A 43 24.314 -4.963 -7.063 1.00 0.00 H ATOM 405 N ILE A 44 25.934 -2.327 -9.491 1.00 23.17 N ATOM 406 CA ILE A 44 27.098 -2.408 -10.357 1.00 22.05 C ATOM 407 C ILE A 44 27.913 -1.121 -10.224 1.00 29.36 C ATOM 408 O ILE A 44 27.414 -0.016 -10.498 1.00 22.26 O ATOM 409 CB ILE A 44 26.696 -2.684 -11.808 1.00 26.48 C ATOM 410 CG1 ILE A 44 25.826 -3.959 -11.872 1.00 31.12 C ATOM 411 CG2 ILE A 44 27.934 -2.836 -12.672 1.00 25.36 C ATOM 412 CD1 ILE A 44 24.336 -3.711 -11.653 1.00 23.34 C ATOM 413 H ILE A 44 25.188 -1.640 -9.722 1.00 0.00 H ATOM 414 N ILE A 45 29.161 -1.260 -9.780 1.00 26.04 N ATOM 415 CA ILE A 45 30.059 -0.130 -9.580 1.00 26.22 C ATOM 416 C ILE A 45 31.155 -0.214 -10.629 1.00 30.07 C ATOM 417 O ILE A 45 31.780 -1.265 -10.797 1.00 29.22 O ATOM 418 CB ILE A 45 30.635 -0.119 -8.159 1.00 27.21 C ATOM 419 CG1 ILE A 45 29.489 0.082 -7.163 1.00 25.88 C ATOM 420 CG2 ILE A 45 31.735 0.938 -8.032 1.00 23.36 C ATOM 421 CD1 ILE A 45 29.867 -0.086 -5.713 1.00 22.66 C ATOM 422 H ILE A 45 29.510 -2.216 -9.567 1.00 0.00 H ATOM 423 N THR A 46 31.360 0.886 -11.354 1.00 27.62 N ATOM 424 CA THR A 46 32.391 1.042 -12.369 1.00 25.78 C ATOM 425 C THR A 46 33.166 2.329 -12.118 1.00 27.74 C ATOM 426 O THR A 46 32.572 3.344 -11.757 1.00 26.61 O ATOM 427 CB THR A 46 31.768 1.049 -13.772 1.00 29.20 C ATOM 428 OG1 THR A 46 30.620 0.190 -13.775 1.00 33.18 O ATOM 429 CG2 THR A 46 32.737 0.566 -14.808 1.00 30.76 C ATOM 430 HG1 THR A 46 29.961 0.520 -13.114 1.00 0.00 H ATOM 431 H THR A 46 30.733 1.697 -11.180 1.00 0.00 H ATOM 432 N CYS A 47 34.488 2.294 -12.310 1.00 29.82 N ATOM 433 CA CYS A 47 35.345 3.459 -12.082 1.00 30.52 C ATOM 434 C CYS A 47 36.514 3.432 -13.058 1.00 34.32 C ATOM 435 O CYS A 47 37.189 2.407 -13.175 1.00 34.97 O ATOM 436 CB CYS A 47 35.881 3.496 -10.644 1.00 32.03 C ATOM 437 SG CYS A 47 36.731 5.076 -10.180 1.00 31.85 S ATOM 438 H CYS A 47 34.924 1.407 -12.633 1.00 0.00 H ATOM 439 N ASP A 48 36.742 4.548 -13.762 1.00 28.53 N ATOM 440 CA ASP A 48 37.827 4.656 -14.728 1.00 29.54 C ATOM 441 C ASP A 48 39.037 5.408 -14.190 1.00 29.86 C ATOM 442 O ASP A 48 39.905 5.791 -14.979 1.00 30.64 O ATOM 443 CB ASP A 48 37.346 5.337 -16.015 1.00 24.52 C ATOM 444 CG ASP A 48 36.908 6.782 -15.792 1.00 30.41 C ATOM 445 OD1 ASP A 48 37.192 7.364 -14.723 1.00 28.20 O ATOM 446 OD2 ASP A 48 36.265 7.345 -16.693 1.00 29.97 O ATOM 447 H ASP A 48 36.121 5.369 -13.613 1.00 0.00 H ATOM 448 N GLY A 49 39.111 5.638 -12.880 1.00 32.08 N ATOM 449 CA GLY A 49 40.175 6.439 -12.296 1.00 30.45 C ATOM 450 C GLY A 49 39.709 7.817 -11.854 1.00 31.63 C ATOM 451 O GLY A 49 40.150 8.344 -10.825 1.00 31.10 O ATOM 452 H GLY A 49 38.385 5.232 -12.255 1.00 0.00 H ATOM 453 N LYS A 50 38.812 8.406 -12.633 1.00 27.47 N ATOM 454 CA LYS A 50 38.235 9.722 -12.390 1.00 27.40 C ATOM 455 C LYS A 50 36.721 9.696 -12.192 1.00 27.62 C ATOM 456 O LYS A 50 36.202 10.352 -11.282 1.00 29.45 O ATOM 457 CB LYS A 50 38.568 10.643 -13.568 1.00 23.65 C ATOM 458 CG LYS A 50 37.937 12.008 -13.485 1.00 26.27 C ATOM 459 CD LYS A 50 38.110 12.756 -14.804 1.00 32.84 C ATOM 460 CE LYS A 50 37.858 14.249 -14.607 1.00 32.68 C ATOM 461 NZ LYS A 50 37.749 14.945 -15.910 1.00 38.16 N ATOM 462 HZ1 LYS A 50 38.634 14.823 -16.442 1.00 0.00 H ATOM 463 HZ2 LYS A 50 36.959 14.541 -16.452 1.00 0.00 H ATOM 464 HZ3 LYS A 50 37.578 15.958 -15.747 1.00 0.00 H ATOM 465 H LYS A 50 38.497 7.891 -13.480 1.00 0.00 H ATOM 466 N ASN A 51 36.007 8.958 -13.025 1.00 24.31 N ATOM 467 CA ASN A 51 34.552 8.938 -13.058 1.00 30.43 C ATOM 468 C ASN A 51 34.016 7.685 -12.383 1.00 29.63 C ATOM 469 O ASN A 51 34.471 6.575 -12.679 1.00 30.81 O ATOM 470 CB ASN A 51 34.049 9.006 -14.498 1.00 30.01 C ATOM 471 CG ASN A 51 34.515 10.258 -15.211 1.00 30.44 C ATOM 472 OD1 ASN A 51 33.984 11.344 -14.994 1.00 31.44 O ATOM 473 ND2 ASN A 51 35.518 10.111 -16.065 1.00 33.46 N ATOM 474 HD22 ASN A 51 35.938 9.172 -16.218 1.00 0.00 H ATOM 475 HD21 ASN A 51 35.885 10.935 -16.582 1.00 0.00 H ATOM 476 H ASN A 51 36.518 8.353 -13.700 1.00 0.00 H ATOM 477 N LEU A 52 33.094 7.874 -11.439 1.00 27.68 N ATOM 478 CA LEU A 52 32.434 6.796 -10.715 1.00 25.25 C ATOM 479 C LEU A 52 31.029 6.632 -11.297 1.00 27.81 C ATOM 480 O LEU A 52 30.290 7.611 -11.429 1.00 25.57 O ATOM 481 CB LEU A 52 32.350 7.118 -9.223 1.00 24.11 C ATOM 482 CG LEU A 52 31.530 6.166 -8.338 1.00 23.07 C ATOM 483 CD1 LEU A 52 32.224 4.833 -8.200 1.00 23.19 C ATOM 484 CD2 LEU A 52 31.252 6.750 -6.984 1.00 23.73 C ATOM 485 H LEU A 52 32.829 8.852 -11.205 1.00 0.00 H ATOM 486 N THR A 53 30.656 5.400 -11.638 1.00 25.46 N ATOM 487 CA THR A 53 29.306 5.081 -12.104 1.00 25.18 C ATOM 488 C THR A 53 28.731 4.011 -11.186 1.00 25.86 C ATOM 489 O THR A 53 29.370 2.978 -10.968 1.00 26.12 O ATOM 490 CB THR A 53 29.302 4.563 -13.552 1.00 28.46 C ATOM 491 OG1 THR A 53 29.797 5.565 -14.452 1.00 26.08 O ATOM 492 CG2 THR A 53 27.876 4.147 -14.001 1.00 25.76 C ATOM 493 HG1 THR A 53 29.221 6.369 -14.398 1.00 0.00 H ATOM 494 H THR A 53 31.354 4.632 -11.570 1.00 0.00 H ATOM 495 N ILE A 54 27.535 4.259 -10.643 1.00 23.14 N ATOM 496 CA ILE A 54 26.828 3.290 -9.802 1.00 21.92 C ATOM 497 C ILE A 54 25.451 3.052 -10.413 1.00 25.58 C ATOM 498 O ILE A 54 24.666 4.001 -10.593 1.00 23.12 O ATOM 499 CB ILE A 54 26.699 3.758 -8.337 1.00 21.11 C ATOM 500 CG1 ILE A 54 28.074 3.975 -7.688 1.00 25.04 C ATOM 501 CG2 ILE A 54 25.871 2.750 -7.522 1.00 24.63 C ATOM 502 CD1 ILE A 54 28.009 4.366 -6.244 1.00 22.55 C ATOM 503 H ILE A 54 27.087 5.180 -10.825 1.00 0.00 H ATOM 504 N LYS A 55 25.164 1.786 -10.724 1.00 26.17 N ATOM 505 CA LYS A 55 23.890 1.351 -11.284 1.00 25.35 C ATOM 506 C LYS A 55 23.190 0.394 -10.325 1.00 24.89 C ATOM 507 O LYS A 55 23.800 -0.540 -9.809 1.00 21.96 O ATOM 508 CB LYS A 55 24.092 0.686 -12.640 1.00 25.66 C ATOM 509 CG LYS A 55 22.851 0.082 -13.217 1.00 28.16 C ATOM 510 CD LYS A 55 23.035 -0.217 -14.674 1.00 31.58 C ATOM 511 CE LYS A 55 23.897 -1.409 -14.921 1.00 43.02 C ATOM 512 NZ LYS A 55 23.802 -1.732 -16.376 1.00 52.50 N ATOM 513 HZ1 LYS A 55 22.813 -1.940 -16.620 1.00 0.00 H ATOM 514 HZ2 LYS A 55 24.134 -0.919 -16.933 1.00 0.00 H ATOM 515 HZ3 LYS A 55 24.393 -2.562 -16.585 1.00 0.00 H ATOM 516 H LYS A 55 25.895 1.065 -10.556 1.00 0.00 H ATOM 517 N THR A 56 21.907 0.634 -10.099 1.00 25.79 N ATOM 518 CA THR A 56 21.045 -0.199 -9.281 1.00 25.25 C ATOM 519 C THR A 56 20.015 -0.862 -10.199 1.00 27.18 C ATOM 520 O THR A 56 19.248 -0.173 -10.887 1.00 27.34 O ATOM 521 CB THR A 56 20.390 0.663 -8.205 1.00 32.24 C ATOM 522 OG1 THR A 56 21.411 1.391 -7.494 1.00 30.23 O ATOM 523 CG2 THR A 56 19.561 -0.168 -7.252 1.00 28.20 C ATOM 524 HG1 THR A 56 20.989 1.951 -6.795 1.00 0.00 H ATOM 525 H THR A 56 21.488 1.478 -10.538 1.00 0.00 H ATOM 526 N GLU A 57 20.012 -2.194 -10.221 1.00 23.59 N ATOM 527 CA GLU A 57 19.212 -2.992 -11.150 1.00 26.99 C ATOM 528 C GLU A 57 18.308 -3.959 -10.399 1.00 29.23 C ATOM 529 O GLU A 57 18.800 -4.834 -9.675 1.00 28.18 O ATOM 530 CB GLU A 57 20.089 -3.812 -12.103 1.00 31.09 C ATOM 531 CG GLU A 57 20.546 -3.181 -13.392 1.00 36.47 C ATOM 532 CD GLU A 57 21.227 -4.216 -14.291 1.00 42.98 C ATOM 533 OE1 GLU A 57 21.167 -5.406 -13.935 1.00 41.81 O ATOM 534 OE2 GLU A 57 21.772 -3.870 -15.365 1.00 47.85 O ATOM 535 H GLU A 57 20.614 -2.696 -9.537 1.00 0.00 H ATOM 536 N SER A 58 16.999 -3.783 -10.553 1.00 32.28 N ATOM 537 CA SER A 58 15.967 -4.726 -10.137 1.00 28.80 C ATOM 538 C SER A 58 15.147 -5.130 -11.351 1.00 32.72 C ATOM 539 O SER A 58 15.230 -4.514 -12.422 1.00 26.14 O ATOM 540 CB SER A 58 15.028 -4.127 -9.084 1.00 23.12 C ATOM 541 OG SER A 58 15.568 -4.276 -7.793 1.00 30.48 O ATOM 542 HG SER A 58 14.947 -3.883 -7.129 1.00 0.00 H ATOM 543 H SER A 58 16.686 -2.901 -11.007 1.00 0.00 H ATOM 544 N THR A 59 14.268 -6.112 -11.146 1.00 29.15 N ATOM 545 CA THR A 59 13.416 -6.545 -12.243 1.00 32.73 C ATOM 546 C THR A 59 12.615 -5.347 -12.738 1.00 30.43 C ATOM 547 O THR A 59 11.890 -4.706 -11.968 1.00 28.63 O ATOM 548 CB THR A 59 12.471 -7.665 -11.798 1.00 34.47 C ATOM 549 OG1 THR A 59 13.227 -8.756 -11.262 1.00 43.64 O ATOM 550 CG2 THR A 59 11.683 -8.177 -13.004 1.00 30.62 C ATOM 551 HG1 THR A 59 12.609 -9.475 -10.977 1.00 0.00 H ATOM 552 H THR A 59 14.192 -6.563 -10.212 1.00 0.00 H ATOM 553 N LEU A 60 12.753 -5.024 -14.012 1.00 26.70 N ATOM 554 CA LEU A 60 12.000 -3.930 -14.626 1.00 31.76 C ATOM 555 C LEU A 60 12.366 -2.526 -14.117 1.00 30.68 C ATOM 556 O LEU A 60 11.775 -1.551 -14.598 1.00 26.38 O ATOM 557 CB LEU A 60 10.485 -4.125 -14.466 1.00 31.96 C ATOM 558 CG LEU A 60 9.999 -5.411 -15.148 1.00 37.60 C ATOM 559 CD1 LEU A 60 8.519 -5.678 -14.901 1.00 28.84 C ATOM 560 CD2 LEU A 60 10.327 -5.348 -16.650 1.00 34.37 C ATOM 561 H LEU A 60 13.420 -5.566 -14.598 1.00 0.00 H ATOM 562 N LYS A 61 13.326 -2.372 -13.201 1.00 25.66 N ATOM 563 CA LYS A 61 13.681 -1.033 -12.733 1.00 27.10 C ATOM 564 C LYS A 61 15.190 -0.871 -12.718 1.00 30.57 C ATOM 565 O LYS A 61 15.891 -1.668 -12.088 1.00 24.25 O ATOM 566 CB LYS A 61 13.086 -0.761 -11.350 1.00 31.13 C ATOM 567 CG LYS A 61 11.552 -0.837 -11.345 1.00 29.76 C ATOM 568 CD LYS A 61 10.992 -0.796 -9.937 1.00 32.85 C ATOM 569 CE LYS A 61 9.560 -0.263 -9.948 1.00 41.97 C ATOM 570 NZ LYS A 61 8.669 -1.146 -10.753 1.00 45.97 N ATOM 571 HZ1 LYS A 61 9.018 -1.189 -11.732 1.00 0.00 H ATOM 572 HZ2 LYS A 61 8.667 -2.102 -10.342 1.00 0.00 H ATOM 573 HZ3 LYS A 61 7.703 -0.762 -10.744 1.00 0.00 H ATOM 574 H LYS A 61 13.821 -3.204 -12.821 1.00 0.00 H ATOM 575 N THR A 62 15.696 0.157 -13.407 1.00 25.85 N ATOM 576 CA THR A 62 17.132 0.419 -13.390 1.00 22.78 C ATOM 577 C THR A 62 17.360 1.910 -13.200 1.00 23.92 C ATOM 578 O THR A 62 16.671 2.730 -13.813 1.00 19.60 O ATOM 579 CB THR A 62 17.830 -0.053 -14.680 1.00 25.27 C ATOM 580 OG1 THR A 62 17.520 -1.432 -14.938 1.00 32.72 O ATOM 581 CG2 THR A 62 19.313 0.011 -14.497 1.00 27.12 C ATOM 582 HG1 THR A 62 17.974 -1.721 -15.769 1.00 0.00 H ATOM 583 H THR A 62 15.064 0.773 -13.957 1.00 0.00 H ATOM 584 N THR A 63 18.271 2.269 -12.305 1.00 24.77 N ATOM 585 CA THR A 63 18.717 3.650 -12.217 1.00 21.22 C ATOM 586 C THR A 63 20.231 3.631 -12.145 1.00 25.18 C ATOM 587 O THR A 63 20.811 2.701 -11.591 1.00 24.51 O ATOM 588 CB THR A 63 18.142 4.389 -11.002 1.00 22.41 C ATOM 589 OG1 THR A 63 18.489 5.769 -11.093 1.00 24.78 O ATOM 590 CG2 THR A 63 18.724 3.853 -9.688 1.00 23.55 C ATOM 591 HG1 THR A 63 18.121 6.253 -10.312 1.00 0.00 H ATOM 592 H THR A 63 18.670 1.556 -11.661 1.00 0.00 H ATOM 593 N GLN A 64 20.861 4.682 -12.669 1.00 22.64 N ATOM 594 CA GLN A 64 22.308 4.769 -12.763 1.00 25.07 C ATOM 595 C GLN A 64 22.741 6.224 -12.755 1.00 25.74 C ATOM 596 O GLN A 64 22.112 7.063 -13.405 1.00 24.28 O ATOM 597 CB GLN A 64 22.826 4.104 -14.042 1.00 26.42 C ATOM 598 CG GLN A 64 24.308 4.273 -14.243 1.00 24.08 C ATOM 599 CD GLN A 64 24.804 3.638 -15.546 1.00 26.82 C ATOM 600 OE1 GLN A 64 25.001 2.433 -15.607 1.00 25.88 O ATOM 601 NE2 GLN A 64 25.006 4.454 -16.584 1.00 18.54 N ATOM 602 HE22 GLN A 64 24.825 5.474 -16.487 1.00 0.00 H ATOM 603 HE21 GLN A 64 25.344 4.070 -17.489 1.00 0.00 H ATOM 604 H GLN A 64 20.291 5.475 -13.027 1.00 0.00 H ATOM 605 N PHE A 65 23.835 6.515 -12.046 1.00 21.67 N ATOM 606 CA PHE A 65 24.447 7.838 -12.126 1.00 25.91 C ATOM 607 C PHE A 65 25.949 7.722 -12.289 1.00 25.51 C ATOM 608 O PHE A 65 26.572 6.722 -11.899 1.00 24.95 O ATOM 609 CB PHE A 65 24.125 8.739 -10.902 1.00 23.73 C ATOM 610 CG PHE A 65 24.855 8.345 -9.640 1.00 30.29 C ATOM 611 CD1 PHE A 65 26.147 8.793 -9.381 1.00 25.48 C ATOM 612 CD2 PHE A 65 24.237 7.518 -8.709 1.00 26.86 C ATOM 613 CE1 PHE A 65 26.814 8.407 -8.228 1.00 25.54 C ATOM 614 CE2 PHE A 65 24.901 7.135 -7.539 1.00 30.93 C ATOM 615 CZ PHE A 65 26.199 7.591 -7.304 1.00 26.81 C ATOM 616 H PHE A 65 24.256 5.791 -11.430 1.00 0.00 H ATOM 617 N SER A 66 26.511 8.753 -12.916 1.00 24.38 N ATOM 618 CA SER A 66 27.943 8.879 -13.102 1.00 23.91 C ATOM 619 C SER A 66 28.357 10.258 -12.622 1.00 28.71 C ATOM 620 O SER A 66 27.636 11.243 -12.823 1.00 25.16 O ATOM 621 CB SER A 66 28.345 8.653 -14.573 1.00 26.12 C ATOM 622 OG SER A 66 27.970 7.335 -14.975 1.00 30.64 O ATOM 623 HG SER A 66 28.431 6.673 -14.402 1.00 0.00 H ATOM 624 H SER A 66 25.894 9.503 -13.290 1.00 0.00 H ATOM 625 N CYS A 67 29.530 10.327 -12.009 1.00 25.66 N ATOM 626 CA CYS A 67 30.024 11.570 -11.452 1.00 25.37 C ATOM 627 C CYS A 67 31.534 11.537 -11.528 1.00 26.69 C ATOM 628 O CYS A 67 32.133 10.501 -11.809 1.00 27.02 O ATOM 629 CB CYS A 67 29.558 11.751 -10.000 1.00 26.68 C ATOM 630 SG CYS A 67 30.212 10.526 -8.780 1.00 25.70 S ATOM 631 H CYS A 67 30.110 9.468 -11.926 1.00 0.00 H ATOM 632 N THR A 68 32.148 12.674 -11.227 1.00 25.76 N ATOM 633 CA THR A 68 33.590 12.753 -11.065 1.00 24.26 C ATOM 634 C THR A 68 33.885 12.742 -9.573 1.00 25.55 C ATOM 635 O THR A 68 33.300 13.525 -8.813 1.00 25.48 O ATOM 636 CB THR A 68 34.132 14.021 -11.725 1.00 28.01 C ATOM 637 OG1 THR A 68 33.873 13.945 -13.125 1.00 29.16 O ATOM 638 CG2 THR A 68 35.643 14.153 -11.503 1.00 26.01 C ATOM 639 HG1 THR A 68 34.324 13.148 -13.500 1.00 0.00 H ATOM 640 H THR A 68 31.579 13.536 -11.103 1.00 0.00 H ATOM 641 N LEU A 69 34.753 11.823 -9.147 1.00 22.76 N ATOM 642 CA LEU A 69 35.077 11.748 -7.730 1.00 23.58 C ATOM 643 C LEU A 69 35.570 13.116 -7.270 1.00 31.87 C ATOM 644 O LEU A 69 36.401 13.744 -7.938 1.00 23.11 O ATOM 645 CB LEU A 69 36.150 10.675 -7.482 1.00 25.96 C ATOM 646 CG LEU A 69 35.770 9.200 -7.692 1.00 28.18 C ATOM 647 CD1 LEU A 69 37.002 8.341 -7.619 1.00 30.01 C ATOM 648 CD2 LEU A 69 34.784 8.770 -6.598 1.00 24.46 C ATOM 649 H LEU A 69 35.194 11.166 -9.821 1.00 0.00 H ATOM 650 N GLY A 70 35.056 13.570 -6.125 1.00 26.94 N ATOM 651 CA GLY A 70 35.427 14.839 -5.544 1.00 28.58 C ATOM 652 C GLY A 70 34.681 16.066 -6.040 1.00 30.03 C ATOM 653 O GLY A 70 34.789 17.115 -5.401 1.00 36.56 O ATOM 654 H GLY A 70 34.356 12.983 -5.628 1.00 0.00 H ATOM 655 N GLU A 71 33.912 15.977 -7.129 1.00 28.18 N ATOM 656 CA GLU A 71 33.217 17.119 -7.720 1.00 27.06 C ATOM 657 C GLU A 71 31.717 17.038 -7.455 1.00 29.74 C ATOM 658 O GLU A 71 31.092 15.988 -7.666 1.00 27.86 O ATOM 659 CB GLU A 71 33.496 17.216 -9.226 1.00 31.22 C ATOM 660 CG GLU A 71 34.957 17.540 -9.533 1.00 38.04 C ATOM 661 CD GLU A 71 35.232 17.750 -11.011 1.00 45.88 C ATOM 662 OE1 GLU A 71 36.430 17.717 -11.412 1.00 51.60 O ATOM 663 OE2 GLU A 71 34.257 17.965 -11.769 1.00 42.97 O ATOM 664 H GLU A 71 33.802 15.046 -7.580 1.00 0.00 H ATOM 665 N LYS A 72 31.156 18.137 -6.969 1.00 28.38 N ATOM 666 CA LYS A 72 29.720 18.231 -6.756 1.00 26.60 C ATOM 667 C LYS A 72 28.978 18.006 -8.071 1.00 28.24 C ATOM 668 O LYS A 72 29.451 18.372 -9.154 1.00 23.01 O ATOM 669 CB LYS A 72 29.359 19.622 -6.230 1.00 30.01 C ATOM 670 CG LYS A 72 29.883 20.028 -4.866 1.00 40.29 C ATOM 671 CD LYS A 72 29.545 21.516 -4.652 1.00 48.90 C ATOM 672 CE LYS A 72 30.082 22.109 -3.345 1.00 58.79 C ATOM 673 NZ LYS A 72 29.711 23.573 -3.216 1.00 53.67 N ATOM 674 HZ1 LYS A 72 30.116 24.104 -4.013 1.00 0.00 H ATOM 675 HZ2 LYS A 72 28.675 23.669 -3.224 1.00 0.00 H ATOM 676 HZ3 LYS A 72 30.088 23.947 -2.322 1.00 0.00 H ATOM 677 H LYS A 72 31.758 18.952 -6.734 1.00 0.00 H ATOM 678 N PHE A 73 27.812 17.380 -7.979 1.00 25.01 N ATOM 679 CA PHE A 73 26.953 17.215 -9.138 1.00 24.24 C ATOM 680 C PHE A 73 25.537 17.089 -8.617 1.00 25.37 C ATOM 681 O PHE A 73 25.312 17.001 -7.405 1.00 23.69 O ATOM 682 CB PHE A 73 27.359 16.001 -9.977 1.00 21.59 C ATOM 683 CG PHE A 73 27.140 14.691 -9.281 1.00 26.96 C ATOM 684 CD1 PHE A 73 28.026 14.240 -8.330 1.00 22.90 C ATOM 685 CD2 PHE A 73 26.034 13.927 -9.570 1.00 22.23 C ATOM 686 CE1 PHE A 73 27.820 13.046 -7.679 1.00 28.08 C ATOM 687 CE2 PHE A 73 25.826 12.712 -8.934 1.00 25.52 C ATOM 688 CZ PHE A 73 26.715 12.267 -7.988 1.00 28.75 C ATOM 689 H PHE A 73 27.508 17.000 -7.060 1.00 0.00 H ATOM 690 N GLU A 74 24.570 17.070 -9.525 1.00 22.37 N ATOM 691 CA GLU A 74 23.193 16.901 -9.105 1.00 22.50 C ATOM 692 C GLU A 74 22.729 15.469 -9.350 1.00 29.20 C ATOM 693 O GLU A 74 22.841 14.951 -10.466 1.00 25.13 O ATOM 694 CB GLU A 74 22.257 17.863 -9.812 1.00 24.05 C ATOM 695 CG GLU A 74 20.839 17.577 -9.363 1.00 27.07 C ATOM 696 CD GLU A 74 19.835 18.379 -10.123 1.00 34.43 C ATOM 697 OE1 GLU A 74 19.197 19.251 -9.503 1.00 33.06 O ATOM 698 OE2 GLU A 74 19.696 18.131 -11.340 1.00 37.69 O ATOM 699 H GLU A 74 24.799 17.176 -10.534 1.00 0.00 H ATOM 700 N GLU A 75 22.197 14.849 -8.306 1.00 22.52 N ATOM 701 CA GLU A 75 21.625 13.520 -8.379 1.00 27.57 C ATOM 702 C GLU A 75 20.108 13.605 -8.435 1.00 25.16 C ATOM 703 O GLU A 75 19.499 14.441 -7.762 1.00 23.62 O ATOM 704 CB GLU A 75 22.049 12.702 -7.160 1.00 25.05 C ATOM 705 CG GLU A 75 22.269 11.293 -7.448 1.00 32.35 C ATOM 706 CD GLU A 75 22.480 10.498 -6.189 1.00 31.04 C ATOM 707 OE1 GLU A 75 23.167 11.005 -5.263 1.00 28.39 O ATOM 708 OE2 GLU A 75 21.935 9.383 -6.139 1.00 27.49 O ATOM 709 H GLU A 75 22.190 15.341 -7.390 1.00 0.00 H ATOM 710 N THR A 76 19.506 12.712 -9.213 1.00 27.57 N ATOM 711 CA THR A 76 18.058 12.508 -9.260 1.00 23.52 C ATOM 712 C THR A 76 17.824 11.158 -8.599 1.00 27.75 C ATOM 713 O THR A 76 18.131 10.118 -9.182 1.00 26.05 O ATOM 714 CB THR A 76 17.540 12.513 -10.693 1.00 32.51 C ATOM 715 OG1 THR A 76 17.841 13.766 -11.317 1.00 35.98 O ATOM 716 CG2 THR A 76 16.034 12.257 -10.742 1.00 28.67 C ATOM 717 HG1 THR A 76 18.821 13.903 -11.324 1.00 0.00 H ATOM 718 H THR A 76 20.102 12.121 -9.827 1.00 0.00 H ATOM 719 N THR A 77 17.313 11.162 -7.373 1.00 29.66 N ATOM 720 CA THR A 77 17.228 9.891 -6.664 1.00 30.51 C ATOM 721 C THR A 77 15.953 9.143 -7.029 1.00 33.04 C ATOM 722 O THR A 77 15.017 9.703 -7.610 1.00 35.45 O ATOM 723 CB THR A 77 17.309 10.091 -5.154 1.00 26.06 C ATOM 724 OG1 THR A 77 16.149 10.781 -4.696 1.00 24.29 O ATOM 725 CG2 THR A 77 18.583 10.868 -4.783 1.00 24.52 C ATOM 726 HG1 THR A 77 15.343 10.249 -4.914 1.00 0.00 H ATOM 727 H THR A 77 16.984 12.045 -6.932 1.00 0.00 H ATOM 728 N ALA A 78 15.934 7.847 -6.692 1.00 35.18 N ATOM 729 CA ALA A 78 14.800 7.006 -7.073 1.00 31.54 C ATOM 730 C ALA A 78 13.510 7.497 -6.446 1.00 30.43 C ATOM 731 O ALA A 78 12.443 7.398 -7.057 1.00 36.04 O ATOM 732 CB ALA A 78 15.058 5.554 -6.694 1.00 29.81 C ATOM 733 H ALA A 78 16.727 7.438 -6.158 1.00 0.00 H ATOM 734 N ASP A 79 13.578 8.020 -5.223 1.00 34.18 N ATOM 735 CA ASP A 79 12.389 8.581 -4.602 1.00 30.95 C ATOM 736 C ASP A 79 12.063 9.968 -5.132 1.00 35.00 C ATOM 737 O ASP A 79 11.034 10.523 -4.748 1.00 41.84 O ATOM 738 CB ASP A 79 12.542 8.636 -3.071 1.00 31.65 C ATOM 739 CG ASP A 79 13.800 9.378 -2.622 1.00 34.02 C ATOM 740 OD1 ASP A 79 14.875 9.110 -3.189 1.00 34.97 O ATOM 741 OD2 ASP A 79 13.731 10.221 -1.697 1.00 33.93 O ATOM 742 H ASP A 79 14.483 8.027 -4.711 1.00 0.00 H ATOM 743 N GLY A 80 12.908 10.548 -5.982 1.00 33.56 N ATOM 744 CA GLY A 80 12.577 11.790 -6.662 1.00 35.48 C ATOM 745 C GLY A 80 13.199 13.050 -6.097 1.00 31.65 C ATOM 746 O GLY A 80 12.767 14.148 -6.461 1.00 28.15 O ATOM 747 H GLY A 80 13.829 10.101 -6.164 1.00 0.00 H ATOM 748 N ARG A 81 14.182 12.931 -5.214 1.00 30.32 N ATOM 749 CA ARG A 81 14.891 14.099 -4.717 1.00 30.33 C ATOM 750 C ARG A 81 15.890 14.574 -5.760 1.00 24.87 C ATOM 751 O ARG A 81 16.469 13.774 -6.500 1.00 26.32 O ATOM 752 CB ARG A 81 15.608 13.773 -3.397 1.00 30.19 C ATOM 753 CG ARG A 81 14.664 13.580 -2.215 1.00 33.61 C ATOM 754 CD ARG A 81 15.339 12.940 -1.007 1.00 30.40 C ATOM 755 NE ARG A 81 15.763 11.574 -1.292 1.00 26.01 N ATOM 756 CZ ARG A 81 17.010 11.141 -1.158 1.00 29.61 C ATOM 757 NH1 ARG A 81 17.964 11.970 -0.711 1.00 23.94 N ATOM 758 NH2 ARG A 81 17.298 9.875 -1.468 1.00 24.59 N ATOM 759 HE ARG A 81 15.044 10.898 -1.620 1.00 0.00 H ATOM 760 HH12 ARG A 81 18.941 11.630 -0.606 1.00 0.00 H ATOM 761 HH11 ARG A 81 17.727 12.953 -0.469 1.00 0.00 H ATOM 762 HH22 ARG A 81 18.272 9.524 -1.367 1.00 0.00 H ATOM 763 HH21 ARG A 81 16.549 9.240 -1.810 1.00 0.00 H ATOM 764 H ARG A 81 14.450 11.986 -4.872 1.00 0.00 H ATOM 765 N LYS A 82 16.065 15.879 -5.830 1.00 23.93 N ATOM 766 CA LYS A 82 17.144 16.493 -6.589 1.00 28.71 C ATOM 767 C LYS A 82 18.166 16.923 -5.551 1.00 28.64 C ATOM 768 O LYS A 82 17.980 17.917 -4.847 1.00 34.01 O ATOM 769 CB LYS A 82 16.669 17.676 -7.428 1.00 29.19 C ATOM 770 CG LYS A 82 15.756 17.314 -8.595 1.00 37.05 C ATOM 771 CD LYS A 82 16.476 16.525 -9.679 1.00 36.27 C ATOM 772 CE LYS A 82 15.649 16.493 -10.981 1.00 41.01 C ATOM 773 NZ LYS A 82 16.310 15.730 -12.113 1.00 38.66 N ATOM 774 HZ1 LYS A 82 17.224 16.172 -12.340 1.00 0.00 H ATOM 775 HZ2 LYS A 82 16.463 14.743 -11.822 1.00 0.00 H ATOM 776 HZ3 LYS A 82 15.695 15.754 -12.951 1.00 0.00 H ATOM 777 H LYS A 82 15.402 16.497 -5.320 1.00 0.00 H ATOM 778 N THR A 83 19.241 16.168 -5.443 1.00 25.30 N ATOM 779 CA THR A 83 20.225 16.436 -4.417 1.00 29.38 C ATOM 780 C THR A 83 21.483 17.001 -5.051 1.00 28.07 C ATOM 781 O THR A 83 21.742 16.807 -6.239 1.00 27.08 O ATOM 782 CB THR A 83 20.556 15.166 -3.627 1.00 26.30 C ATOM 783 OG1 THR A 83 21.338 14.294 -4.451 1.00 31.00 O ATOM 784 CG2 THR A 83 19.266 14.446 -3.194 1.00 23.64 C ATOM 785 HG1 THR A 83 22.175 14.752 -4.713 1.00 0.00 H ATOM 786 H THR A 83 19.383 15.374 -6.100 1.00 0.00 H ATOM 787 N GLN A 84 22.249 17.738 -4.257 1.00 26.31 N ATOM 788 CA GLN A 84 23.628 18.016 -4.614 1.00 30.24 C ATOM 789 C GLN A 84 24.472 16.964 -3.911 1.00 27.33 C ATOM 790 O GLN A 84 24.450 16.857 -2.682 1.00 25.51 O ATOM 791 CB GLN A 84 24.085 19.434 -4.252 1.00 36.88 C ATOM 792 CG GLN A 84 25.451 19.738 -4.908 1.00 39.78 C ATOM 793 CD GLN A 84 25.936 21.157 -4.705 1.00 49.91 C ATOM 794 OE1 GLN A 84 26.278 21.577 -3.593 1.00 54.03 O ATOM 795 NE2 GLN A 84 25.943 21.920 -5.789 1.00 52.42 N ATOM 796 HE22 GLN A 84 25.647 21.525 -6.705 1.00 0.00 H ATOM 797 HE21 GLN A 84 26.244 22.913 -5.724 1.00 0.00 H ATOM 798 H GLN A 84 21.858 18.119 -3.372 1.00 0.00 H ATOM 799 N THR A 85 25.218 16.211 -4.697 1.00 25.59 N ATOM 800 CA THR A 85 25.921 15.034 -4.251 1.00 26.74 C ATOM 801 C THR A 85 27.401 15.142 -4.570 1.00 27.67 C ATOM 802 O THR A 85 27.801 15.705 -5.596 1.00 24.35 O ATOM 803 CB THR A 85 25.337 13.798 -4.929 1.00 25.38 C ATOM 804 OG1 THR A 85 23.967 13.677 -4.545 1.00 27.88 O ATOM 805 CG2 THR A 85 26.088 12.546 -4.517 1.00 23.28 C ATOM 806 HG1 THR A 85 23.574 12.878 -4.978 1.00 0.00 H ATOM 807 H THR A 85 25.304 16.483 -5.697 1.00 0.00 H ATOM 808 N VAL A 86 28.212 14.572 -3.693 1.00 24.03 N ATOM 809 CA VAL A 86 29.636 14.433 -3.961 1.00 25.50 C ATOM 810 C VAL A 86 30.049 13.039 -3.513 1.00 26.25 C ATOM 811 O VAL A 86 29.693 12.603 -2.413 1.00 26.04 O ATOM 812 CB VAL A 86 30.474 15.539 -3.271 1.00 32.35 C ATOM 813 CG1 VAL A 86 30.383 15.430 -1.755 1.00 32.75 C ATOM 814 CG2 VAL A 86 31.931 15.422 -3.689 1.00 27.42 C ATOM 815 H VAL A 86 27.825 14.217 -2.796 1.00 0.00 H ATOM 816 N CYS A 87 30.783 12.329 -4.362 1.00 24.63 N ATOM 817 CA CYS A 87 31.290 11.011 -4.017 1.00 25.98 C ATOM 818 C CYS A 87 32.799 11.113 -3.898 1.00 30.70 C ATOM 819 O CYS A 87 33.458 11.635 -4.805 1.00 29.44 O ATOM 820 CB CYS A 87 30.895 9.957 -5.056 1.00 22.39 C ATOM 821 SG CYS A 87 29.104 9.648 -5.133 1.00 25.99 S ATOM 822 H CYS A 87 31.001 12.726 -5.298 1.00 0.00 H ATOM 823 N ASN A 88 33.330 10.651 -2.763 1.00 27.17 N ATOM 824 CA ASN A 88 34.762 10.627 -2.488 1.00 32.74 C ATOM 825 C ASN A 88 35.144 9.231 -2.024 1.00 35.12 C ATOM 826 O ASN A 88 34.293 8.459 -1.587 1.00 33.81 O ATOM 827 CB ASN A 88 35.209 11.607 -1.399 1.00 33.05 C ATOM 828 CG ASN A 88 35.185 13.035 -1.842 1.00 33.55 C ATOM 829 OD1 ASN A 88 35.952 13.435 -2.714 1.00 43.25 O ATOM 830 ND2 ASN A 88 34.352 13.841 -1.195 1.00 36.56 N ATOM 831 HD22 ASN A 88 33.720 13.457 -0.464 1.00 0.00 H ATOM 832 HD21 ASN A 88 34.331 14.856 -1.420 1.00 0.00 H ATOM 833 H ASN A 88 32.685 10.287 -2.033 1.00 0.00 H ATOM 834 N PHE A 89 36.391 8.868 -2.245 1.00 28.27 N ATOM 835 CA PHE A 89 36.968 7.688 -1.628 1.00 32.36 C ATOM 836 C PHE A 89 37.858 8.157 -0.487 1.00 37.47 C ATOM 837 O PHE A 89 38.854 8.837 -0.720 1.00 36.72 O ATOM 838 CB PHE A 89 37.747 6.860 -2.636 1.00 34.63 C ATOM 839 CG PHE A 89 38.087 5.518 -2.136 1.00 32.80 C ATOM 840 CD1 PHE A 89 37.139 4.519 -2.132 1.00 30.81 C ATOM 841 CD2 PHE A 89 39.341 5.255 -1.622 1.00 38.35 C ATOM 842 CE1 PHE A 89 37.439 3.273 -1.641 1.00 35.47 C ATOM 843 CE2 PHE A 89 39.648 4.006 -1.129 1.00 37.72 C ATOM 844 CZ PHE A 89 38.689 3.012 -1.142 1.00 38.63 C ATOM 845 H PHE A 89 36.979 9.444 -2.880 1.00 0.00 H ATOM 846 N THR A 90 37.479 7.836 0.744 1.00 36.62 N ATOM 847 CA THR A 90 38.154 8.363 1.917 1.00 40.84 C ATOM 848 C THR A 90 38.295 7.271 2.953 1.00 44.68 C ATOM 849 O THR A 90 37.318 6.576 3.252 1.00 38.91 O ATOM 850 CB THR A 90 37.383 9.512 2.561 1.00 46.14 C ATOM 851 OG1 THR A 90 36.862 10.379 1.553 1.00 46.14 O ATOM 852 CG2 THR A 90 38.318 10.288 3.478 1.00 49.31 C ATOM 853 HG1 THR A 90 36.364 11.120 1.982 1.00 0.00 H ATOM 854 H THR A 90 36.675 7.188 0.872 1.00 0.00 H ATOM 855 N ASP A 91 39.491 7.159 3.530 1.00 48.56 N ATOM 856 CA ASP A 91 39.735 6.222 4.622 1.00 46.42 C ATOM 857 C ASP A 91 39.163 4.855 4.294 1.00 39.45 C ATOM 858 O ASP A 91 38.422 4.264 5.077 1.00 44.95 O ATOM 859 CB ASP A 91 39.160 6.756 5.933 1.00 46.93 C ATOM 860 CG ASP A 91 39.920 7.951 6.445 1.00 50.96 C ATOM 861 OD1 ASP A 91 41.167 7.923 6.372 1.00 63.90 O ATOM 862 OD2 ASP A 91 39.284 8.930 6.886 1.00 57.54 O ATOM 863 H ASP A 91 40.273 7.756 3.193 1.00 0.00 H ATOM 864 N GLY A 92 39.464 4.387 3.084 1.00 32.71 N ATOM 865 CA GLY A 92 39.087 3.064 2.637 1.00 32.92 C ATOM 866 C GLY A 92 37.621 2.859 2.295 1.00 33.50 C ATOM 867 O GLY A 92 37.233 1.733 1.984 1.00 33.02 O ATOM 868 H GLY A 92 39.994 5.000 2.432 1.00 0.00 H ATOM 869 N ALA A 93 36.812 3.910 2.225 1.00 32.72 N ATOM 870 CA ALA A 93 35.393 3.745 1.924 1.00 30.72 C ATOM 871 C ALA A 93 34.967 4.747 0.866 1.00 32.99 C ATOM 872 O ALA A 93 35.458 5.879 0.822 1.00 31.17 O ATOM 873 CB ALA A 93 34.518 3.964 3.165 1.00 26.71 C ATOM 874 H ALA A 93 37.195 4.863 2.387 1.00 0.00 H ATOM 875 N LEU A 94 34.033 4.326 0.026 1.00 26.76 N ATOM 876 CA LEU A 94 33.399 5.244 -0.908 1.00 30.24 C ATOM 877 C LEU A 94 32.256 5.940 -0.165 1.00 31.45 C ATOM 878 O LEU A 94 31.378 5.263 0.380 1.00 31.26 O ATOM 879 CB LEU A 94 32.924 4.461 -2.130 1.00 31.29 C ATOM 880 CG LEU A 94 32.432 5.072 -3.436 1.00 37.30 C ATOM 881 CD1 LEU A 94 33.519 5.900 -4.097 1.00 30.61 C ATOM 882 CD2 LEU A 94 32.003 3.949 -4.387 1.00 38.39 C ATOM 883 H LEU A 94 33.749 3.326 0.034 1.00 0.00 H ATOM 884 N VAL A 95 32.303 7.275 -0.086 1.00 27.77 N ATOM 885 CA VAL A 95 31.355 8.101 0.660 1.00 27.69 C ATOM 886 C VAL A 95 30.564 8.969 -0.323 1.00 32.54 C ATOM 887 O VAL A 95 31.130 9.799 -1.051 1.00 28.38 O ATOM 888 CB VAL A 95 32.069 8.983 1.702 1.00 35.45 C ATOM 889 CG1 VAL A 95 31.051 9.788 2.511 1.00 34.14 C ATOM 890 CG2 VAL A 95 32.928 8.131 2.646 1.00 35.02 C ATOM 891 H VAL A 95 33.070 7.761 -0.593 1.00 0.00 H ATOM 892 N GLN A 96 29.248 8.833 -0.292 1.00 30.75 N ATOM 893 CA GLN A 96 28.352 9.553 -1.186 1.00 27.01 C ATOM 894 C GLN A 96 27.557 10.491 -0.295 1.00 26.51 C ATOM 895 O GLN A 96 26.762 10.037 0.530 1.00 27.16 O ATOM 896 CB GLN A 96 27.442 8.581 -1.946 1.00 24.60 C ATOM 897 CG GLN A 96 26.360 9.252 -2.813 1.00 27.93 C ATOM 898 CD GLN A 96 25.355 8.261 -3.416 1.00 29.27 C ATOM 899 OE1 GLN A 96 25.477 7.045 -3.245 1.00 30.00 O ATOM 900 NE2 GLN A 96 24.350 8.786 -4.116 1.00 27.16 N ATOM 901 HE22 GLN A 96 24.283 9.817 -4.237 1.00 0.00 H ATOM 902 HE21 GLN A 96 23.632 8.165 -4.541 1.00 0.00 H ATOM 903 H GLN A 96 28.834 8.181 0.404 1.00 0.00 H ATOM 904 N HIS A 97 27.798 11.787 -0.418 1.00 26.27 N ATOM 905 CA HIS A 97 27.160 12.764 0.449 1.00 25.77 C ATOM 906 C HIS A 97 26.114 13.527 -0.343 1.00 26.43 C ATOM 907 O HIS A 97 26.427 14.095 -1.400 1.00 25.06 O ATOM 908 CB HIS A 97 28.173 13.724 1.068 1.00 25.88 C ATOM 909 CG HIS A 97 27.555 14.649 2.063 1.00 34.35 C ATOM 910 ND1 HIS A 97 27.041 14.202 3.264 1.00 34.39 N ATOM 911 CD2 HIS A 97 27.317 15.981 2.024 1.00 35.29 C ATOM 912 CE1 HIS A 97 26.530 15.223 3.928 1.00 35.53 C ATOM 913 NE2 HIS A 97 26.677 16.313 3.195 1.00 31.99 N ATOM 914 H HIS A 97 28.459 12.114 -1.152 1.00 0.00 H ATOM 915 N GLN A 98 24.893 13.566 0.195 1.00 24.35 N ATOM 916 CA GLN A 98 23.728 14.172 -0.436 1.00 27.41 C ATOM 917 C GLN A 98 23.230 15.352 0.396 1.00 30.83 C ATOM 918 O GLN A 98 23.122 15.255 1.627 1.00 30.42 O ATOM 919 CB GLN A 98 22.583 13.171 -0.567 1.00 26.03 C ATOM 920 CG GLN A 98 22.747 12.087 -1.652 1.00 22.57 C ATOM 921 CD GLN A 98 21.627 11.061 -1.587 1.00 29.01 C ATOM 922 OE1 GLN A 98 20.960 10.935 -0.558 1.00 30.84 O ATOM 923 NE2 GLN A 98 21.355 10.382 -2.709 1.00 25.10 N ATOM 924 HE22 GLN A 98 21.944 10.519 -3.555 1.00 0.00 H ATOM 925 HE21 GLN A 98 20.555 9.718 -2.734 1.00 0.00 H ATOM 926 H GLN A 98 24.764 13.133 1.132 1.00 0.00 H ATOM 927 N GLU A 99 22.890 16.449 -0.288 1.00 24.77 N ATOM 928 CA GLU A 99 22.365 17.669 0.325 1.00 31.81 C ATOM 929 C GLU A 99 21.166 18.187 -0.456 1.00 32.21 C ATOM 930 O GLU A 99 21.263 18.408 -1.667 1.00 29.62 O ATOM 931 CB GLU A 99 23.421 18.783 0.381 1.00 26.19 C ATOM 932 CG GLU A 99 24.395 18.645 1.535 1.00 40.98 C ATOM 933 CD GLU A 99 25.533 19.666 1.501 1.00 49.99 C ATOM 934 OE1 GLU A 99 25.322 20.788 0.983 1.00 50.11 O ATOM 935 OE2 GLU A 99 26.620 19.357 2.040 1.00 49.20 O ATOM 936 H GLU A 99 23.006 16.434 -1.321 1.00 0.00 H ATOM 937 N TRP A 100 20.056 18.433 0.238 1.00 34.89 N ATOM 938 CA TRP A 100 18.886 18.990 -0.432 1.00 35.02 C ATOM 939 C TRP A 100 17.960 19.604 0.612 1.00 37.93 C ATOM 940 O TRP A 100 17.686 18.971 1.631 1.00 39.69 O ATOM 941 CB TRP A 100 18.161 17.899 -1.250 1.00 31.51 C ATOM 942 CG TRP A 100 17.337 16.944 -0.430 1.00 30.59 C ATOM 943 CD1 TRP A 100 15.978 16.922 -0.318 1.00 33.70 C ATOM 944 CD2 TRP A 100 17.824 15.883 0.390 1.00 29.26 C ATOM 945 NE1 TRP A 100 15.586 15.910 0.524 1.00 31.30 N ATOM 946 CE2 TRP A 100 16.705 15.260 0.977 1.00 32.68 C ATOM 947 CE3 TRP A 100 19.102 15.396 0.688 1.00 30.09 C ATOM 948 CZ2 TRP A 100 16.828 14.178 1.855 1.00 34.21 C ATOM 949 CZ3 TRP A 100 19.223 14.323 1.550 1.00 29.87 C ATOM 950 CH2 TRP A 100 18.096 13.722 2.124 1.00 32.94 C ATOM 951 HE1 TRP A 100 14.604 15.676 0.776 1.00 0.00 H ATOM 952 H TRP A 100 20.023 18.228 1.257 1.00 0.00 H ATOM 953 N ASP A 101 17.449 20.811 0.346 1.00 39.03 N ATOM 954 CA ASP A 101 16.477 21.463 1.239 1.00 40.84 C ATOM 955 C ASP A 101 16.993 21.588 2.666 1.00 36.64 C ATOM 956 O ASP A 101 16.244 21.375 3.616 1.00 36.89 O ATOM 957 CB ASP A 101 15.148 20.705 1.302 1.00 40.17 C ATOM 958 CG ASP A 101 14.466 20.586 -0.014 1.00 51.52 C ATOM 959 OD1 ASP A 101 14.855 21.324 -0.948 1.00 52.29 O ATOM 960 OD2 ASP A 101 13.527 19.747 -0.093 1.00 49.01 O ATOM 961 H ASP A 101 17.748 21.305 -0.519 1.00 0.00 H ATOM 962 N GLY A 102 18.268 21.914 2.840 1.00 39.74 N ATOM 963 CA GLY A 102 18.768 21.968 4.197 1.00 37.15 C ATOM 964 C GLY A 102 18.856 20.628 4.903 1.00 35.92 C ATOM 965 O GLY A 102 19.190 20.596 6.088 1.00 41.96 O ATOM 966 H GLY A 102 18.886 22.123 2.030 1.00 0.00 H ATOM 967 N LYS A 103 18.536 19.530 4.227 1.00 36.59 N ATOM 968 CA LYS A 103 18.690 18.165 4.718 1.00 32.99 C ATOM 969 C LYS A 103 19.940 17.525 4.125 1.00 35.31 C ATOM 970 O LYS A 103 20.485 17.990 3.114 1.00 34.06 O ATOM 971 CB LYS A 103 17.475 17.321 4.337 1.00 34.59 C ATOM 972 CG LYS A 103 16.145 17.909 4.739 1.00 39.90 C ATOM 973 CD LYS A 103 15.030 17.072 4.161 1.00 36.36 C ATOM 974 CE LYS A 103 13.696 17.750 4.316 1.00 42.74 C ATOM 975 NZ LYS A 103 12.641 16.962 3.625 1.00 50.27 N ATOM 976 HZ1 LYS A 103 12.872 16.888 2.614 1.00 0.00 H ATOM 977 HZ2 LYS A 103 12.592 16.010 4.042 1.00 0.00 H ATOM 978 HZ3 LYS A 103 11.724 17.439 3.738 1.00 0.00 H ATOM 979 H LYS A 103 18.144 19.653 3.271 1.00 0.00 H ATOM 980 N GLU A 104 20.358 16.406 4.719 1.00 32.28 N ATOM 981 CA GLU A 104 21.514 15.714 4.171 1.00 32.25 C ATOM 982 C GLU A 104 21.506 14.253 4.588 1.00 33.95 C ATOM 983 O GLU A 104 20.907 13.880 5.600 1.00 30.77 O ATOM 984 CB GLU A 104 22.822 16.374 4.603 1.00 33.47 C ATOM 985 CG GLU A 104 23.196 16.214 6.046 1.00 37.87 C ATOM 986 CD GLU A 104 24.456 16.979 6.340 1.00 41.10 C ATOM 987 OE1 GLU A 104 24.563 18.105 5.833 1.00 44.23 O ATOM 988 OE2 GLU A 104 25.358 16.450 7.014 1.00 50.20 O ATOM 989 H GLU A 104 19.867 16.036 5.558 1.00 0.00 H ATOM 990 N SER A 105 22.173 13.434 3.775 1.00 30.84 N ATOM 991 CA SER A 105 22.283 12.001 4.009 1.00 29.57 C ATOM 992 C SER A 105 23.623 11.525 3.476 1.00 30.58 C ATOM 993 O SER A 105 24.136 12.068 2.497 1.00 28.93 O ATOM 994 CB SER A 105 21.140 11.229 3.331 1.00 28.73 C ATOM 995 OG SER A 105 21.285 9.844 3.554 1.00 33.44 O ATOM 996 HG SER A 105 20.543 9.360 3.112 1.00 0.00 H ATOM 997 H SER A 105 22.636 13.837 2.935 1.00 0.00 H ATOM 998 N THR A 106 24.178 10.496 4.103 1.00 28.35 N ATOM 999 CA THR A 106 25.452 9.947 3.665 1.00 26.52 C ATOM 1000 C THR A 106 25.301 8.448 3.431 1.00 30.09 C ATOM 1001 O THR A 106 24.760 7.736 4.282 1.00 32.99 O ATOM 1002 CB THR A 106 26.533 10.215 4.719 1.00 33.94 C ATOM 1003 OG1 THR A 106 26.614 11.621 4.967 1.00 34.20 O ATOM 1004 CG2 THR A 106 27.902 9.735 4.233 1.00 28.54 C ATOM 1005 HG1 THR A 106 26.846 12.090 4.127 1.00 0.00 H ATOM 1006 H THR A 106 23.694 10.075 4.922 1.00 0.00 H ATOM 1007 N ILE A 107 25.751 7.967 2.278 1.00 30.36 N ATOM 1008 CA ILE A 107 25.774 6.538 1.969 1.00 24.93 C ATOM 1009 C ILE A 107 27.242 6.121 1.870 1.00 31.42 C ATOM 1010 O ILE A 107 27.972 6.603 0.987 1.00 27.37 O ATOM 1011 CB ILE A 107 25.022 6.214 0.671 1.00 22.86 C ATOM 1012 CG1 ILE A 107 23.572 6.684 0.746 1.00 30.96 C ATOM 1013 CG2 ILE A 107 25.069 4.708 0.374 1.00 25.17 C ATOM 1014 CD1 ILE A 107 22.811 6.564 -0.548 1.00 28.94 C ATOM 1015 H ILE A 107 26.102 8.636 1.563 1.00 0.00 H ATOM 1016 N THR A 108 27.669 5.213 2.753 1.00 27.45 N ATOM 1017 CA THR A 108 29.054 4.738 2.797 1.00 30.22 C ATOM 1018 C THR A 108 29.115 3.281 2.339 1.00 31.09 C ATOM 1019 O THR A 108 28.341 2.445 2.807 1.00 31.57 O ATOM 1020 CB THR A 108 29.639 4.884 4.211 1.00 31.04 C ATOM 1021 OG1 THR A 108 29.535 6.250 4.652 1.00 28.27 O ATOM 1022 CG2 THR A 108 31.108 4.470 4.242 1.00 34.18 C ATOM 1023 HG1 THR A 108 28.583 6.520 4.665 1.00 0.00 H ATOM 1024 H THR A 108 26.989 4.827 3.438 1.00 0.00 H ATOM 1025 N ARG A 109 30.016 2.985 1.405 1.00 25.73 N ATOM 1026 CA ARG A 109 30.191 1.642 0.870 1.00 30.38 C ATOM 1027 C ARG A 109 31.640 1.214 1.089 1.00 31.38 C ATOM 1028 O ARG A 109 32.566 1.872 0.604 1.00 29.03 O ATOM 1029 CB ARG A 109 29.832 1.587 -0.619 1.00 25.45 C ATOM 1030 CG ARG A 109 28.399 2.004 -0.944 1.00 26.59 C ATOM 1031 CD ARG A 109 28.182 2.011 -2.443 1.00 24.72 C ATOM 1032 NE ARG A 109 26.813 2.360 -2.825 1.00 30.19 N ATOM 1033 CZ ARG A 109 26.438 3.620 -3.093 1.00 28.22 C ATOM 1034 NH1 ARG A 109 27.316 4.620 -2.994 1.00 26.17 N ATOM 1035 NH2 ARG A 109 25.203 3.892 -3.452 1.00 33.48 N ATOM 1036 HE ARG A 109 26.104 1.602 -2.891 1.00 0.00 H ATOM 1037 HH12 ARG A 109 27.020 5.595 -3.203 1.00 0.00 H ATOM 1038 HH11 ARG A 109 28.297 4.425 -2.708 1.00 0.00 H ATOM 1039 HH22 ARG A 109 24.925 4.873 -3.657 1.00 0.00 H ATOM 1040 HH21 ARG A 109 24.504 3.126 -3.531 1.00 0.00 H ATOM 1041 H ARG A 109 30.622 3.747 1.041 1.00 0.00 H ATOM 1042 N LYS A 110 31.839 0.112 1.808 1.00 33.81 N ATOM 1043 CA LYS A 110 33.197 -0.351 2.081 1.00 34.31 C ATOM 1044 C LYS A 110 33.248 -1.874 1.974 1.00 34.08 C ATOM 1045 O LYS A 110 32.224 -2.560 2.058 1.00 34.58 O ATOM 1046 CB LYS A 110 33.670 0.148 3.465 1.00 29.97 C ATOM 1047 CG LYS A 110 32.730 -0.249 4.602 1.00 41.99 C ATOM 1048 CD LYS A 110 33.136 0.339 5.968 1.00 47.09 C ATOM 1049 CE LYS A 110 32.541 1.728 6.195 1.00 47.31 C ATOM 1050 NZ LYS A 110 32.489 2.115 7.643 1.00 49.01 N ATOM 1051 HZ1 LYS A 110 31.902 1.431 8.163 1.00 0.00 H ATOM 1052 HZ2 LYS A 110 33.452 2.116 8.035 1.00 0.00 H ATOM 1053 HZ3 LYS A 110 32.076 3.065 7.732 1.00 0.00 H ATOM 1054 H LYS A 110 31.025 -0.421 2.176 1.00 0.00 H ATOM 1055 N LEU A 111 34.451 -2.400 1.754 1.00 34.18 N ATOM 1056 CA LEU A 111 34.677 -3.840 1.727 1.00 35.72 C ATOM 1057 C LEU A 111 34.939 -4.364 3.138 1.00 39.97 C ATOM 1058 O LEU A 111 35.848 -3.892 3.824 1.00 40.41 O ATOM 1059 CB LEU A 111 35.859 -4.184 0.822 1.00 40.07 C ATOM 1060 CG LEU A 111 35.969 -5.655 0.399 1.00 41.87 C ATOM 1061 CD1 LEU A 111 34.864 -6.030 -0.562 1.00 41.80 C ATOM 1062 CD2 LEU A 111 37.368 -5.974 -0.177 1.00 42.47 C ATOM 1063 H LEU A 111 35.257 -1.762 1.596 1.00 0.00 H ATOM 1064 N LYS A 112 34.181 -5.378 3.543 1.00 36.79 N ATOM 1065 CA LYS A 112 34.317 -5.982 4.865 1.00 39.43 C ATOM 1066 C LYS A 112 34.147 -7.486 4.728 1.00 41.62 C ATOM 1067 O LYS A 112 33.065 -7.961 4.357 1.00 38.91 O ATOM 1068 CB LYS A 112 33.298 -5.401 5.845 1.00 35.13 C ATOM 1069 CG LYS A 112 33.342 -6.034 7.217 1.00 47.27 C ATOM 1070 CD LYS A 112 32.382 -5.356 8.179 1.00 51.64 C ATOM 1071 CE LYS A 112 32.105 -6.246 9.399 1.00 55.90 C ATOM 1072 NZ LYS A 112 33.033 -6.022 10.536 1.00 59.04 N ATOM 1073 HZ1 LYS A 112 34.008 -6.216 10.230 1.00 0.00 H ATOM 1074 HZ2 LYS A 112 32.958 -5.034 10.854 1.00 0.00 H ATOM 1075 HZ3 LYS A 112 32.781 -6.659 11.318 1.00 0.00 H ATOM 1076 H LYS A 112 33.463 -5.756 2.893 1.00 0.00 H ATOM 1077 N ASP A 113 35.217 -8.234 5.024 1.00 39.37 N ATOM 1078 CA ASP A 113 35.203 -9.693 4.889 1.00 39.08 C ATOM 1079 C ASP A 113 34.812 -10.096 3.475 1.00 38.58 C ATOM 1080 O ASP A 113 33.970 -10.972 3.273 1.00 42.58 O ATOM 1081 CB ASP A 113 34.255 -10.356 5.895 1.00 42.97 C ATOM 1082 CG ASP A 113 34.588 -10.024 7.326 1.00 50.68 C ATOM 1083 OD1 ASP A 113 35.777 -9.771 7.642 1.00 56.10 O ATOM 1084 OD2 ASP A 113 33.646 -10.032 8.139 1.00 56.97 O ATOM 1085 H ASP A 113 36.083 -7.766 5.359 1.00 0.00 H ATOM 1086 N GLY A 114 35.376 -9.412 2.485 1.00 40.20 N ATOM 1087 CA GLY A 114 35.052 -9.698 1.107 1.00 34.89 C ATOM 1088 C GLY A 114 33.650 -9.316 0.658 1.00 38.67 C ATOM 1089 O GLY A 114 33.337 -9.508 -0.522 1.00 32.96 O ATOM 1090 H GLY A 114 36.060 -8.660 2.706 1.00 0.00 H ATOM 1091 N LYS A 115 32.795 -8.767 1.532 1.00 33.97 N ATOM 1092 CA LYS A 115 31.450 -8.368 1.121 1.00 35.71 C ATOM 1093 C LYS A 115 31.331 -6.844 1.070 1.00 36.02 C ATOM 1094 O LYS A 115 32.066 -6.124 1.756 1.00 28.25 O ATOM 1095 CB LYS A 115 30.394 -8.951 2.066 1.00 34.52 C ATOM 1096 CG LYS A 115 30.376 -10.488 2.035 1.00 33.49 C ATOM 1097 CD LYS A 115 29.262 -11.049 2.856 1.00 36.82 C ATOM 1098 CE LYS A 115 29.402 -12.582 3.018 1.00 44.06 C ATOM 1099 NZ LYS A 115 28.454 -13.118 4.061 1.00 45.57 N ATOM 1100 HZ1 LYS A 115 28.659 -12.670 4.977 1.00 0.00 H ATOM 1101 HZ2 LYS A 115 27.475 -12.905 3.781 1.00 0.00 H ATOM 1102 HZ3 LYS A 115 28.576 -14.148 4.142 1.00 0.00 H ATOM 1103 H LYS A 115 33.093 -8.623 2.518 1.00 0.00 H ATOM 1104 N LEU A 116 30.391 -6.346 0.257 1.00 33.02 N ATOM 1105 CA LEU A 116 30.145 -4.907 0.171 1.00 29.10 C ATOM 1106 C LEU A 116 29.137 -4.516 1.244 1.00 31.04 C ATOM 1107 O LEU A 116 27.988 -4.972 1.224 1.00 29.26 O ATOM 1108 CB LEU A 116 29.640 -4.500 -1.218 1.00 27.17 C ATOM 1109 CG LEU A 116 29.383 -2.997 -1.447 1.00 26.18 C ATOM 1110 CD1 LEU A 116 30.670 -2.168 -1.473 1.00 27.31 C ATOM 1111 CD2 LEU A 116 28.546 -2.743 -2.714 1.00 23.62 C ATOM 1112 H LEU A 116 29.824 -6.996 -0.325 1.00 0.00 H ATOM 1113 N VAL A 117 29.570 -3.671 2.175 1.00 26.85 N ATOM 1114 CA VAL A 117 28.729 -3.195 3.264 1.00 31.38 C ATOM 1115 C VAL A 117 28.371 -1.742 2.974 1.00 29.15 C ATOM 1116 O VAL A 117 29.258 -0.889 2.848 1.00 23.25 O ATOM 1117 CB VAL A 117 29.431 -3.351 4.620 1.00 31.13 C ATOM 1118 CG1 VAL A 117 28.515 -2.943 5.755 1.00 26.07 C ATOM 1119 CG2 VAL A 117 29.871 -4.788 4.796 1.00 36.52 C ATOM 1120 H VAL A 117 30.553 -3.335 2.123 1.00 0.00 H ATOM 1121 N VAL A 118 27.067 -1.478 2.883 1.00 28.56 N ATOM 1122 CA VAL A 118 26.496 -0.205 2.469 1.00 28.74 C ATOM 1123 C VAL A 118 25.695 0.313 3.651 1.00 31.26 C ATOM 1124 O VAL A 118 24.699 -0.305 4.041 1.00 32.46 O ATOM 1125 CB VAL A 118 25.595 -0.364 1.239 1.00 29.14 C ATOM 1126 CG1 VAL A 118 25.050 0.992 0.796 1.00 28.27 C ATOM 1127 CG2 VAL A 118 26.337 -1.052 0.100 1.00 26.31 C ATOM 1128 H VAL A 118 26.406 -2.243 3.127 1.00 0.00 H ATOM 1129 N GLU A 119 26.127 1.423 4.242 1.00 28.85 N ATOM 1130 CA GLU A 119 25.435 2.008 5.386 1.00 34.34 C ATOM 1131 C GLU A 119 24.860 3.348 4.961 1.00 33.55 C ATOM 1132 O GLU A 119 25.610 4.240 4.545 1.00 29.77 O ATOM 1133 CB GLU A 119 26.359 2.184 6.600 1.00 32.48 C ATOM 1134 CG GLU A 119 25.617 2.708 7.825 1.00 33.25 C ATOM 1135 CD GLU A 119 26.527 3.042 8.994 1.00 42.61 C ATOM 1136 OE1 GLU A 119 27.762 2.951 8.826 1.00 42.91 O ATOM 1137 OE2 GLU A 119 26.001 3.407 10.079 1.00 39.37 O ATOM 1138 H GLU A 119 26.983 1.888 3.878 1.00 0.00 H ATOM 1139 N CYS A 120 23.549 3.508 5.124 1.00 27.65 N ATOM 1140 CA CYS A 120 22.862 4.735 4.757 1.00 30.12 C ATOM 1141 C CYS A 120 22.434 5.437 6.031 1.00 34.36 C ATOM 1142 O CYS A 120 21.793 4.840 6.904 1.00 32.49 O ATOM 1143 CB CYS A 120 21.650 4.475 3.863 1.00 31.86 C ATOM 1144 SG CYS A 120 21.958 3.299 2.561 1.00 32.05 S ATOM 1145 H CYS A 120 22.996 2.726 5.529 1.00 0.00 H ATOM 1146 N VAL A 121 22.826 6.692 6.146 1.00 29.45 N ATOM 1147 CA VAL A 121 22.609 7.464 7.352 1.00 33.20 C ATOM 1148 C VAL A 121 21.855 8.734 7.002 1.00 34.57 C ATOM 1149 O VAL A 121 22.114 9.370 5.970 1.00 32.22 O ATOM 1150 CB VAL A 121 23.943 7.800 8.036 1.00 34.74 C ATOM 1151 CG1 VAL A 121 23.689 8.726 9.217 1.00 38.45 C ATOM 1152 CG2 VAL A 121 24.646 6.507 8.460 1.00 34.43 C ATOM 1153 H VAL A 121 23.308 7.143 5.342 1.00 0.00 H ATOM 1154 N MET A 122 20.895 9.074 7.852 1.00 33.30 N ATOM 1155 CA MET A 122 20.271 10.388 7.778 1.00 38.37 C ATOM 1156 C MET A 122 19.820 10.767 9.175 1.00 38.41 C ATOM 1157 O MET A 122 19.101 9.999 9.826 1.00 39.11 O ATOM 1158 CB MET A 122 19.080 10.414 6.818 1.00 35.33 C ATOM 1159 CG MET A 122 18.401 11.754 6.830 1.00 36.58 C ATOM 1160 SD MET A 122 17.059 11.912 5.653 1.00 38.92 S ATOM 1161 CE MET A 122 16.575 13.618 5.998 1.00 37.21 C ATOM 1162 H MET A 122 20.585 8.396 8.578 1.00 0.00 H ATOM 1163 N ASN A 123 20.236 11.941 9.630 1.00 37.44 N ATOM 1164 CA ASN A 123 19.964 12.359 11.000 1.00 40.95 C ATOM 1165 C ASN A 123 20.515 11.262 11.907 1.00 43.30 C ATOM 1166 O ASN A 123 21.726 10.978 11.842 1.00 41.72 O ATOM 1167 CB ASN A 123 18.469 12.685 11.114 1.00 38.00 C ATOM 1168 CG ASN A 123 18.065 13.881 10.232 1.00 38.76 C ATOM 1169 OD1 ASN A 123 18.878 14.768 9.979 1.00 40.54 O ATOM 1170 ND2 ASN A 123 16.822 13.901 9.767 1.00 39.25 N ATOM 1171 HD22 ASN A 123 16.165 13.130 10.005 1.00 0.00 H ATOM 1172 HD21 ASN A 123 16.505 14.687 9.165 1.00 0.00 H ATOM 1173 H ASN A 123 20.766 12.575 8.998 1.00 0.00 H ATOM 1174 N ASN A 124 19.713 10.614 12.739 1.00 37.77 N ATOM 1175 CA ASN A 124 20.245 9.605 13.645 1.00 40.25 C ATOM 1176 C ASN A 124 19.762 8.215 13.268 1.00 37.91 C ATOM 1177 O ASN A 124 19.812 7.296 14.090 1.00 40.44 O ATOM 1178 CB ASN A 124 19.875 9.937 15.089 1.00 42.28 C ATOM 1179 CG ASN A 124 20.220 11.376 15.467 1.00 42.37 C ATOM 1180 OD1 ASN A 124 21.300 11.889 15.130 1.00 39.20 O ATOM 1181 ND2 ASN A 124 19.291 12.038 16.166 1.00 39.62 N ATOM 1182 HD22 ASN A 124 18.401 11.566 16.425 1.00 0.00 H ATOM 1183 HD21 ASN A 124 19.459 13.024 16.450 1.00 0.00 H ATOM 1184 H ASN A 124 18.695 10.827 12.745 1.00 0.00 H ATOM 1185 N VAL A 125 19.278 8.058 12.041 1.00 32.88 N ATOM 1186 CA VAL A 125 18.851 6.781 11.505 1.00 34.64 C ATOM 1187 C VAL A 125 19.971 6.161 10.702 1.00 34.07 C ATOM 1188 O VAL A 125 20.566 6.820 9.841 1.00 36.08 O ATOM 1189 CB VAL A 125 17.609 6.924 10.624 1.00 36.88 C ATOM 1190 CG1 VAL A 125 17.221 5.538 10.124 1.00 35.48 C ATOM 1191 CG2 VAL A 125 16.491 7.570 11.412 1.00 34.41 C ATOM 1192 H VAL A 125 19.201 8.897 11.432 1.00 0.00 H ATOM 1193 N THR A 126 20.239 4.889 10.963 1.00 35.10 N ATOM 1194 CA THR A 126 21.245 4.149 10.222 1.00 32.03 C ATOM 1195 C THR A 126 20.639 2.873 9.659 1.00 36.06 C ATOM 1196 O THR A 126 19.791 2.234 10.286 1.00 32.53 O ATOM 1197 CB THR A 126 22.453 3.838 11.083 1.00 34.21 C ATOM 1198 OG1 THR A 126 23.431 3.165 10.287 1.00 33.82 O ATOM 1199 CG2 THR A 126 22.049 2.964 12.283 1.00 32.26 C ATOM 1200 HG1 THR A 126 24.223 2.959 10.844 1.00 0.00 H ATOM 1201 H THR A 126 19.714 4.407 11.720 1.00 0.00 H ATOM 1202 N CYS A 127 21.057 2.537 8.450 1.00 34.52 N ATOM 1203 CA CYS A 127 20.635 1.346 7.743 1.00 29.60 C ATOM 1204 C CYS A 127 21.882 0.650 7.225 1.00 32.93 C ATOM 1205 O CYS A 127 22.853 1.314 6.860 1.00 31.27 O ATOM 1206 CB CYS A 127 19.675 1.727 6.589 1.00 34.07 C ATOM 1207 SG CYS A 127 19.588 0.551 5.226 1.00 36.45 S ATOM 1208 H CYS A 127 21.733 3.170 7.976 1.00 0.00 H ATOM 1209 N THR A 128 21.892 -0.686 7.257 1.00 35.25 N ATOM 1210 CA THR A 128 23.014 -1.449 6.719 1.00 34.31 C ATOM 1211 C THR A 128 22.500 -2.519 5.763 1.00 33.65 C ATOM 1212 O THR A 128 21.561 -3.253 6.081 1.00 35.94 O ATOM 1213 CB THR A 128 23.874 -2.070 7.830 1.00 34.56 C ATOM 1214 OG1 THR A 128 24.347 -1.026 8.688 1.00 40.24 O ATOM 1215 CG2 THR A 128 25.078 -2.785 7.232 1.00 29.50 C ATOM 1216 HG1 THR A 128 24.903 -1.418 9.407 1.00 0.00 H ATOM 1217 H THR A 128 21.084 -1.192 7.673 1.00 0.00 H ATOM 1218 N ARG A 129 23.108 -2.572 4.586 1.00 32.98 N ATOM 1219 CA ARG A 129 22.778 -3.502 3.522 1.00 31.75 C ATOM 1220 C ARG A 129 24.056 -4.183 3.067 1.00 34.08 C ATOM 1221 O ARG A 129 25.107 -3.540 2.952 1.00 29.49 O ATOM 1222 CB ARG A 129 22.083 -2.773 2.372 1.00 31.22 C ATOM 1223 CG ARG A 129 20.663 -2.397 2.766 1.00 34.93 C ATOM 1224 CD ARG A 129 20.115 -1.226 1.984 1.00 33.87 C ATOM 1225 NE ARG A 129 19.746 -1.564 0.602 1.00 35.85 N ATOM 1226 CZ ARG A 129 18.680 -2.280 0.243 1.00 33.58 C ATOM 1227 NH1 ARG A 129 17.871 -2.792 1.162 1.00 29.61 N ATOM 1228 NH2 ARG A 129 18.422 -2.480 -1.040 1.00 27.97 N ATOM 1229 HE ARG A 129 20.366 -1.217 -0.157 1.00 0.00 H ATOM 1230 HH12 ARG A 129 17.042 -3.349 0.873 1.00 0.00 H ATOM 1231 HH11 ARG A 129 18.066 -2.636 2.172 1.00 0.00 H ATOM 1232 HH22 ARG A 129 17.591 -3.038 -1.322 1.00 0.00 H ATOM 1233 HH21 ARG A 129 19.050 -2.079 -1.765 1.00 0.00 H ATOM 1234 H ARG A 129 23.879 -1.896 4.412 1.00 0.00 H ATOM 1235 N ILE A 130 23.987 -5.496 2.889 1.00 32.57 N ATOM 1236 CA ILE A 130 25.151 -6.297 2.564 1.00 31.34 C ATOM 1237 C ILE A 130 24.925 -6.958 1.216 1.00 32.60 C ATOM 1238 O ILE A 130 23.854 -7.544 0.977 1.00 33.25 O ATOM 1239 CB ILE A 130 25.436 -7.339 3.663 1.00 36.20 C ATOM 1240 CG1 ILE A 130 25.769 -6.622 4.978 1.00 32.81 C ATOM 1241 CG2 ILE A 130 26.583 -8.218 3.251 1.00 28.55 C ATOM 1242 CD1 ILE A 130 25.472 -7.419 6.190 1.00 41.85 C ATOM 1243 H ILE A 130 23.065 -5.967 2.986 1.00 0.00 H ATOM 1244 N TYR A 131 25.938 -6.862 0.349 1.00 29.26 N ATOM 1245 CA TYR A 131 25.956 -7.471 -0.973 1.00 27.93 C ATOM 1246 C TYR A 131 27.141 -8.415 -1.117 1.00 31.36 C ATOM 1247 O TYR A 131 28.248 -8.143 -0.626 1.00 26.55 O ATOM 1248 CB TYR A 131 26.058 -6.445 -2.107 1.00 27.14 C ATOM 1249 CG TYR A 131 24.926 -5.445 -2.237 1.00 28.63 C ATOM 1250 CD1 TYR A 131 24.772 -4.412 -1.315 1.00 27.67 C ATOM 1251 CD2 TYR A 131 24.059 -5.493 -3.327 1.00 26.97 C ATOM 1252 CE1 TYR A 131 23.760 -3.475 -1.451 1.00 31.02 C ATOM 1253 CE2 TYR A 131 23.043 -4.543 -3.483 1.00 27.74 C ATOM 1254 CZ TYR A 131 22.899 -3.537 -2.532 1.00 32.40 C ATOM 1255 OH TYR A 131 21.895 -2.587 -2.657 1.00 35.96 O ATOM 1256 HH TYR A 131 21.943 -1.955 -1.896 1.00 0.00 H ATOM 1257 H TYR A 131 26.772 -6.313 0.640 1.00 0.00 H ATOM 1258 N GLU A 132 26.916 -9.488 -1.865 1.00 27.35 N ATOM 1259 CA GLU A 132 27.974 -10.417 -2.208 1.00 31.33 C ATOM 1260 C GLU A 132 28.406 -10.224 -3.649 1.00 28.88 C ATOM 1261 O GLU A 132 27.613 -9.855 -4.520 1.00 29.04 O ATOM 1262 CB GLU A 132 27.545 -11.870 -1.978 1.00 34.72 C ATOM 1263 CG GLU A 132 27.454 -12.154 -0.497 1.00 39.25 C ATOM 1264 CD GLU A 132 27.129 -13.591 -0.174 1.00 47.78 C ATOM 1265 OE1 GLU A 132 27.016 -14.414 -1.120 1.00 47.24 O ATOM 1266 OE2 GLU A 132 26.981 -13.877 1.037 1.00 47.43 O ATOM 1267 H GLU A 132 25.953 -9.667 -2.215 1.00 0.00 H ATOM 1268 N LYS A 133 29.689 -10.431 -3.877 1.00 24.44 N ATOM 1269 CA LYS A 133 30.225 -10.255 -5.207 1.00 31.42 C ATOM 1270 C LYS A 133 29.684 -11.338 -6.129 1.00 37.25 C ATOM 1271 O LYS A 133 29.710 -12.525 -5.790 1.00 34.58 O ATOM 1272 CB LYS A 133 31.748 -10.314 -5.155 1.00 33.57 C ATOM 1273 CG LYS A 133 32.423 -9.985 -6.458 1.00 35.47 C ATOM 1274 CD LYS A 133 32.098 -8.568 -6.864 1.00 32.19 C ATOM 1275 CE LYS A 133 33.358 -7.762 -7.055 1.00 40.93 C ATOM 1276 NZ LYS A 133 34.382 -8.483 -7.839 1.00 46.25 N ATOM 1277 HZ1 LYS A 133 34.637 -9.363 -7.347 1.00 0.00 H ATOM 1278 HZ2 LYS A 133 34.001 -8.708 -8.780 1.00 0.00 H ATOM 1279 HZ3 LYS A 133 35.226 -7.883 -7.940 1.00 0.00 H ATOM 1280 H LYS A 133 30.315 -10.721 -3.099 1.00 0.00 H ATOM 1281 N VAL A 134 29.171 -10.931 -7.286 1.00 35.59 N ATOM 1282 CA VAL A 134 28.757 -11.887 -8.301 1.00 38.89 C ATOM 1283 C VAL A 134 29.525 -11.717 -9.590 1.00 39.98 C ATOM 1284 O VAL A 134 29.485 -12.623 -10.436 1.00 47.00 O ATOM 1285 CB VAL A 134 27.237 -11.833 -8.576 1.00 39.10 C ATOM 1286 CG1 VAL A 134 26.475 -12.425 -7.396 1.00 40.70 C ATOM 1287 CG2 VAL A 134 26.803 -10.427 -8.835 1.00 33.76 C ATOM 1288 H VAL A 134 29.064 -9.913 -7.468 1.00 0.00 H ATOM 1289 N GLU A 135 30.219 -10.603 -9.784 1.00 35.94 N ATOM 1290 CA GLU A 135 30.910 -10.395 -11.061 1.00 39.64 C ATOM 1291 C GLU A 135 31.959 -9.306 -10.933 1.00 48.90 C ATOM 1292 O GLU A 135 31.809 -8.433 -10.081 1.00 43.93 O ATOM 1293 CB GLU A 135 29.912 -10.006 -12.147 1.00 48.09 C ATOM 1294 CG GLU A 135 29.763 -10.958 -13.320 1.00 55.46 C ATOM 1295 CD GLU A 135 28.577 -10.568 -14.195 1.00 59.44 C ATOM 1296 OE1 GLU A 135 27.486 -11.179 -14.047 1.00 55.31 O ATOM 1297 OE2 GLU A 135 28.734 -9.621 -15.005 1.00 63.35 O ATOM 1298 OXT GLU A 135 32.951 -9.260 -11.665 1.00 53.50 O ATOM 1299 H GLU A 135 30.273 -9.882 -9.036 1.00 0.00 H TER 1300 GLU A 135 HETATM 1301 O HOH 1 29.704 18.238 -11.518 1.00 33.92 O HETATM 1302 O HOH 2 37.311 -8.016 2.652 1.00 45.55 O HETATM 1303 O HOH 3 21.248 13.967 7.989 1.00 37.97 O HETATM 1304 O HOH 4 12.368 8.264 10.489 1.00 44.93 O HETATM 1305 O HOH 5 28.996 5.445 -0.946 1.00 25.75 O HETATM 1306 O HOH 6 28.313 0.839 -13.095 1.00 25.50 O HETATM 1307 O HOH 7 38.059 -0.800 -0.886 1.00 42.96 O HETATM 1308 O HOH 8 20.405 21.989 1.382 1.00 43.49 O HETATM 1309 O HOH 9 20.546 8.007 -7.842 1.00 37.72 O HETATM 1310 O HOH 10 41.363 5.903 2.080 1.00 41.16 O HETATM 1311 O HOH 11 20.696 14.420 -11.894 1.00 31.91 O HETATM 1312 O HOH 12 17.471 7.345 -9.249 1.00 34.89 O HETATM 1313 O HOH 13 8.756 10.180 -3.445 1.00 39.16 O HETATM 1314 O HOH 14 22.437 -5.893 7.247 1.00 37.76 O HETATM 1315 O HOH 15 15.954 -3.610 -1.312 1.00 36.67 O HETATM 1316 O HOH 16 30.779 14.892 -10.534 1.00 30.23 O HETATM 1317 O HOH 17 31.410 13.298 -6.886 1.00 24.98 O HETATM 1318 O HOH 18 20.881 6.318 -9.946 1.00 30.73 O HETATM 1319 O HOH 19 13.126 14.600 2.057 1.00 43.44 O HETATM 1320 O HOH 20 31.237 -11.097 -1.393 1.00 32.36 O HETATM 1321 O HOH 21 22.438 4.485 -9.011 1.00 24.76 O HETATM 1322 O HOH 22 31.206 11.423 -14.808 1.00 31.46 O HETATM 1323 O HOH 23 27.613 25.406 -3.430 1.00 52.51 O HETATM 1324 O HOH 24 27.959 -6.973 -14.455 1.00 46.10 O HETATM 1325 O HOH 25 24.906 11.888 -12.586 1.00 29.23 O HETATM 1326 O HOH 26 25.246 -0.026 -3.031 1.00 25.52 O HETATM 1327 O HOH 27 14.635 17.356 -3.818 1.00 36.65 O HETATM 1328 O HOH 28 37.480 -6.864 6.154 1.00 46.34 O HETATM 1329 O HOH 29 21.906 6.741 -4.999 1.00 41.59 O HETATM 1330 O HOH 30 18.209 6.717 -5.333 1.00 34.46 O HETATM 1331 O HOH 31 26.926 17.005 -1.203 1.00 31.89 O HETATM 1332 O HOH 32 16.853 10.859 13.157 1.00 40.50 O HETATM 1333 O HOH 33 19.232 16.353 7.564 1.00 32.86 O HETATM 1334 O HOH 34 27.044 0.388 -15.238 1.00 32.02 O HETATM 1335 O HOH 35 11.533 11.863 -0.381 1.00 39.86 O HETATM 1336 O HOH 36 19.538 8.280 -0.415 1.00 32.30 O HETATM 1337 O HOH 37 26.919 6.518 5.972 1.00 33.59 O HETATM 1338 O HOH 38 19.768 7.979 -3.377 1.00 33.69 O HETATM 1339 O HOH 39 33.954 16.821 -1.229 1.00 41.96 O HETATM 1340 O HOH 40 13.045 14.289 4.979 1.00 35.61 O HETATM 1341 O HOH 41 17.705 21.558 -2.661 1.00 38.15 O HETATM 1342 O HOH 42 16.236 16.705 8.527 1.00 43.85 O HETATM 1343 O HOH 43 32.980 20.680 -6.831 1.00 37.96 O HETATM 1344 O HOH 44 31.916 12.610 0.345 1.00 34.53 O HETATM 1345 O HOH 45 40.193 10.672 -8.724 1.00 37.85 O HETATM 1346 O HOH 46 13.550 -0.556 9.296 1.00 40.48 O HETATM 1347 O HOH 47 23.143 -15.579 -6.639 1.00 40.81 O HETATM 1348 O HOH 48 34.203 12.190 2.194 1.00 40.21 O HETATM 1349 O HOH 49 22.878 20.903 -6.557 1.00 44.30 O HETATM 1350 O HOH 50 38.922 -5.728 3.179 1.00 46.95 O HETATM 1351 O HOH 51 24.860 -14.177 -4.442 1.00 44.56 O HETATM 1352 O HOH 52 31.426 14.642 2.169 1.00 45.18 O HETATM 1353 O HOH 53 29.177 -6.754 8.011 1.00 40.87 O HETATM 1354 C12 UNN A 54 10.502 4.596 -8.156 1.00 0.09 C HETATM 1355 C05 UNN A 54 10.836 5.328 -9.537 1.00 0.03 C HETATM 1356 C04 UNN A 54 9.391 4.929 -9.967 1.00 0.04 C HETATM 1357 C02 UNN A 54 8.660 6.010 -10.776 1.00 0.04 C HETATM 1358 O01 UNN A 54 7.511 5.760 -11.181 1.00 -0.57 O HETATM 1359 O03 UNN A 54 9.273 7.069 -10.986 1.00 -0.57 O HETATM 1360 C26 UNN A 54 8.984 4.847 -8.446 1.00 0.03 C HETATM 1361 C27 UNN A 54 8.437 6.063 -7.789 1.00 -0.04 C HETATM 1362 C28 UNN A 54 7.095 6.170 -7.389 1.00 -0.06 C HETATM 1363 C29 UNN A 54 6.625 7.334 -6.769 1.00 -0.07 C HETATM 1364 C30 UNN A 54 7.478 8.425 -6.508 1.00 -0.07 C HETATM 1365 C31 UNN A 54 8.823 8.334 -6.882 1.00 -0.07 C HETATM 1366 C32 UNN A 54 9.264 7.165 -7.505 1.00 -0.06 C HETATM 1367 H21 UNN A 54 10.309 7.103 -7.787 1.00 0.06 H HETATM 1368 H20 UNN A 54 9.508 9.153 -6.692 1.00 0.06 H HETATM 1369 H19 UNN A 54 7.099 9.319 -6.026 1.00 0.06 H HETATM 1370 H18 UNN A 54 5.581 7.397 -6.483 1.00 0.06 H HETATM 1371 H17 UNN A 54 6.416 5.343 -7.562 1.00 0.06 H HETATM 1372 H16 UNN A 54 8.325 3.998 -8.212 1.00 0.05 H HETATM 1373 H4 UNN A 54 9.327 3.969 -10.500 1.00 0.05 H HETATM 1374 C06 UNN A 54 11.954 4.824 -10.429 1.00 -0.04 C HETATM 1375 C11 UNN A 54 13.126 5.559 -10.601 1.00 -0.06 C HETATM 1376 C10 UNN A 54 14.198 5.164 -11.397 1.00 -0.07 C HETATM 1377 C09 UNN A 54 14.121 3.984 -12.107 1.00 -0.07 C HETATM 1378 C08 UNN A 54 12.971 3.204 -11.971 1.00 -0.07 C HETATM 1379 C07 UNN A 54 11.894 3.616 -11.150 1.00 -0.06 C HETATM 1380 H6 UNN A 54 11.010 2.993 -11.075 1.00 0.06 H HETATM 1381 H7 UNN A 54 12.902 2.263 -12.505 1.00 0.06 H HETATM 1382 H8 UNN A 54 14.932 3.670 -12.754 1.00 0.06 H HETATM 1383 H3 UNN A 54 15.088 5.780 -11.458 1.00 0.06 H HETATM 1384 H2 UNN A 54 13.209 6.505 -10.078 1.00 0.06 H HETATM 1385 H5 UNN A 54 10.980 6.412 -9.417 1.00 0.05 H HETATM 1386 C13 UNN A 54 10.962 3.226 -8.004 1.00 0.27 C HETATM 1387 O15 UNN A 54 12.182 3.007 -7.368 1.00 -0.21 O HETATM 1388 C16 UNN A 54 12.669 1.726 -7.274 1.00 0.14 C HETATM 1389 C17 UNN A 54 12.062 0.765 -6.470 1.00 -0.03 C HETATM 1390 C18 UNN A 54 12.593 -0.537 -6.373 1.00 -0.07 C HETATM 1391 C19 UNN A 54 13.715 -0.888 -7.065 1.00 -0.07 C HETATM 1392 C20 UNN A 54 14.375 0.084 -7.912 1.00 -0.03 C HETATM 1393 C21 UNN A 54 15.545 -0.262 -8.637 1.00 -0.06 C HETATM 1394 C22 UNN A 54 16.185 0.619 -9.449 1.00 -0.06 C HETATM 1395 C23 UNN A 54 15.698 1.931 -9.562 1.00 -0.06 C HETATM 1396 C24 UNN A 54 14.569 2.305 -8.877 1.00 -0.05 C HETATM 1397 C25 UNN A 54 13.863 1.390 -8.019 1.00 0.02 C HETATM 1398 H15 UNN A 54 14.199 3.318 -8.985 1.00 0.06 H HETATM 1399 H14 UNN A 54 16.214 2.648 -10.190 1.00 0.06 H HETATM 1400 H13 UNN A 54 17.064 0.312 -10.005 1.00 0.06 H HETATM 1401 H12 UNN A 54 15.942 -1.266 -8.539 1.00 0.06 H HETATM 1402 H11 UNN A 54 14.112 -1.893 -6.981 1.00 0.05 H HETATM 1403 H10 UNN A 54 12.104 -1.269 -5.740 1.00 0.06 H HETATM 1404 H9 UNN A 54 11.169 1.022 -5.911 1.00 0.05 H HETATM 1405 O14 UNN A 54 10.485 2.273 -8.628 1.00 -0.36 O HETATM 1406 H1 UNN A 54 10.860 5.156 -7.280 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1354 1355 1360 1386 1406 CONECT 1355 1354 1356 1374 1385 CONECT 1356 1355 1357 1360 1373 CONECT 1357 1356 1358 1359 CONECT 1358 1357 CONECT 1359 1357 CONECT 1360 1354 1356 1361 1372 CONECT 1361 1360 1362 1366 CONECT 1362 1361 1363 1371 CONECT 1363 1362 1364 1370 CONECT 1364 1363 1365 1369 CONECT 1365 1364 1366 1368 CONECT 1366 1361 1365 1367 CONECT 1367 1366 CONECT 1368 1365 CONECT 1369 1364 CONECT 1370 1363 CONECT 1371 1362 CONECT 1372 1360 CONECT 1373 1356 CONECT 1374 1355 1375 1379 CONECT 1375 1374 1376 1384 CONECT 1376 1375 1377 1383 CONECT 1377 1376 1378 1382 CONECT 1378 1377 1379 1381 CONECT 1379 1374 1378 1380 CONECT 1380 1379 CONECT 1381 1378 CONECT 1382 1377 CONECT 1383 1376 CONECT 1384 1375 CONECT 1385 1355 CONECT 1386 1354 1387 1405 CONECT 1387 1386 1388 CONECT 1388 1387 1389 1397 CONECT 1389 1388 1390 1404 CONECT 1390 1389 1391 1403 CONECT 1391 1390 1392 1402 CONECT 1392 1391 1393 1397 CONECT 1393 1392 1394 1401 CONECT 1394 1393 1395 1400 CONECT 1395 1394 1396 1399 CONECT 1396 1395 1397 1398 CONECT 1397 1388 1392 1396 CONECT 1398 1396 CONECT 1399 1395 CONECT 1400 1394 CONECT 1401 1393 CONECT 1402 1391 CONECT 1403 1390 CONECT 1404 1389 CONECT 1405 1386 CONECT 1406 1354 MASTER 0 0 0 0 0 0 0 0 1405 1 57 11 END
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Related entries of code: 5ur9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1b56
RCSB PDB
PDBbind
135aa, >1B56_1|Chain... at 100%
4lkt
RCSB PDB
PDBbind
138aa, >4LKT_1|Chains... *
5hz5
RCSB PDB
PDBbind
134aa, >5HZ5_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5ura
RCSB PDB
PDBbind
8KS
Entry Information
PDB ID
5ur9
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Fatty acid-binding protein, epidermal
Ligand Name
8KS
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Ki=0.9uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Biochemistry Vol. 56: pp. 3454-3462
Ligand Properties
Formula
C
2
8
H
2
2
O
4
Molecular Weight
422.472
Exact Mass
422.152
No. of atoms
54
No. of bonds
58
Polar Surface Area
63.6
LOGP Value
6.90 (
Computed with XLOGP3
)
5.64 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 5
Canonical SMILES
O=C([C@@H]1[C@@H](c2ccccc2)[C@H]([C@@H]1c1ccccc1)C(=O)O)Oc1cccc2c1cccc2
InChI String
InChI=1S/C28H22O4/c29-27(30)25-23(19-11-3-1-4-12-19)26(24(25)20-13-5-2-6-14-20)28(31)32-22-17-9-15-18-10-7-8-16-21(18)22/h1-17,23-26H,(H,29,30)/t23-,24-,25-,26-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q01469
Entrez Gene ID
NCBI Entrez Gene ID:
2171
ASD
Information of known allosteric effects of PDB entries
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