Browse entries in the PDBbind-CN Database
HEADER 1SPS_COMPLEX COMPND 1SPS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 103 ALA GLU GLU TRP TYR PHE GLY LYS ILE THR ARG ARG GLU SEQRES 2 A 103 SER GLU ARG LEU LEU LEU ASN PRO GLU ASN PRO ARG GLY SEQRES 3 A 103 THR PHE LEU VAL ARG GLU SER GLU THR THR LYS GLY ALA SEQRES 4 A 103 TYR CYS LEU SER VAL SER ASP PHE ASP ASN ALA LYS GLY SEQRES 5 A 103 LEU ASN VAL LYS HIS TYR LYS ILE ARG LYS LEU ASP SER SEQRES 6 A 103 GLY GLY PHE TYR ILE THR SER ARG THR GLN PHE SER SER SEQRES 7 A 103 LEU GLN GLN LEU VAL ALA TYR TYR SER LYS HIS ALA ASP SEQRES 8 A 103 GLY LEU CYS HIS ARG LEU THR ASN VAL CYS PRO THR HET PRO A 114 111 ATOM 1 N ALA A 2 63.480 90.048 43.119 1.00 66.96 N ATOM 2 CA ALA A 2 63.688 90.756 41.870 1.00 65.59 C ATOM 3 C ALA A 2 63.628 92.276 42.031 1.00 65.53 C ATOM 4 O ALA A 2 64.491 92.826 42.724 1.00 68.21 O ATOM 5 CB ALA A 2 62.639 90.270 40.888 1.00 66.61 C ATOM 6 HA ALA A 2 64.692 90.543 41.504 1.00 0.00 H ATOM 7 HB1 ALA A 2 62.751 89.196 40.740 1.00 0.00 H ATOM 8 HB2 ALA A 2 61.646 90.481 41.285 1.00 0.00 H ATOM 9 HB3 ALA A 2 62.768 90.785 39.936 1.00 0.00 H ATOM 10 HN3 ALA A 2 62.544 90.290 43.502 1.00 0.00 H ATOM 11 HN2 ALA A 2 64.216 90.325 43.800 1.00 0.00 H ATOM 12 HN1 ALA A 2 63.532 89.023 42.948 1.00 0.00 H ATOM 13 N GLU A 3 62.673 93.000 41.428 1.00 64.47 N ATOM 14 CA GLU A 3 62.493 94.439 41.593 1.00 63.37 C ATOM 15 C GLU A 3 63.650 95.377 41.252 1.00 58.26 C ATOM 16 O GLU A 3 63.578 95.881 40.144 1.00 58.55 O ATOM 17 CB GLU A 3 62.011 94.719 43.063 1.00 67.61 C ATOM 18 CG GLU A 3 60.493 94.747 43.362 1.00 68.56 C ATOM 19 CD GLU A 3 59.698 93.477 43.059 1.00 71.21 C ATOM 20 OE1 GLU A 3 60.046 92.410 43.567 1.00 72.78 O ATOM 21 OE2 GLU A 3 58.718 93.556 42.318 1.00 71.59 O ATOM 22 HA GLU A 3 61.759 94.687 40.827 1.00 0.00 H ATOM 23 HB2 GLU A 3 62.447 93.946 43.695 1.00 0.00 H ATOM 24 HB3 GLU A 3 62.412 95.691 43.351 1.00 0.00 H ATOM 25 HG2 GLU A 3 60.371 94.965 44.423 1.00 0.00 H ATOM 26 HG3 GLU A 3 60.057 95.555 42.774 1.00 0.00 H ATOM 27 H GLU A 3 62.014 92.500 40.798 1.00 0.00 H ATOM 28 N GLU A 4 64.685 95.644 42.089 1.00 54.33 N ATOM 29 CA GLU A 4 65.784 96.612 41.861 1.00 49.38 C ATOM 30 C GLU A 4 66.299 96.848 40.451 1.00 44.26 C ATOM 31 O GLU A 4 66.543 97.960 39.998 1.00 42.36 O ATOM 32 CB GLU A 4 67.057 96.265 42.630 1.00 54.30 C ATOM 33 CG GLU A 4 67.259 96.461 44.138 1.00 61.20 C ATOM 34 CD GLU A 4 68.703 96.181 44.605 1.00 63.91 C ATOM 35 OE1 GLU A 4 69.182 95.045 44.462 1.00 63.37 O ATOM 36 OE2 GLU A 4 69.354 97.108 45.106 1.00 63.97 O ATOM 37 HA GLU A 4 65.254 97.504 42.194 1.00 0.00 H ATOM 38 HB2 GLU A 4 67.224 95.203 42.451 1.00 0.00 H ATOM 39 HB3 GLU A 4 67.850 96.842 42.154 1.00 0.00 H ATOM 40 HG2 GLU A 4 67.008 97.492 44.389 1.00 0.00 H ATOM 41 HG3 GLU A 4 66.587 95.785 44.667 1.00 0.00 H ATOM 42 H GLU A 4 64.709 95.114 42.984 1.00 0.00 H ATOM 43 N TRP A 5 66.452 95.717 39.772 1.00 40.05 N ATOM 44 CA TRP A 5 67.052 95.627 38.462 1.00 32.06 C ATOM 45 C TRP A 5 66.153 95.420 37.271 1.00 28.81 C ATOM 46 O TRP A 5 66.633 95.439 36.147 1.00 26.15 O ATOM 47 CB TRP A 5 68.075 94.527 38.539 1.00 28.42 C ATOM 48 CG TRP A 5 67.584 93.225 39.130 1.00 21.34 C ATOM 49 CD1 TRP A 5 67.983 92.880 40.381 1.00 21.23 C ATOM 50 CD2 TRP A 5 66.768 92.285 38.552 1.00 20.33 C ATOM 51 NE1 TRP A 5 67.429 91.713 40.601 1.00 19.46 N ATOM 52 CE2 TRP A 5 66.708 91.332 39.549 1.00 16.34 C ATOM 53 CE3 TRP A 5 66.087 92.082 37.375 1.00 18.30 C ATOM 54 CZ2 TRP A 5 65.991 90.181 39.413 1.00 13.64 C ATOM 55 CZ3 TRP A 5 65.354 90.917 37.225 1.00 21.61 C ATOM 56 CH2 TRP A 5 65.306 89.975 38.239 1.00 18.45 C ATOM 57 HA TRP A 5 67.460 96.617 38.256 1.00 0.00 H ATOM 58 HB2 TRP A 5 68.429 94.325 37.528 1.00 0.00 H ATOM 59 HB3 TRP A 5 68.905 94.882 39.149 1.00 0.00 H ATOM 60 HE1 TRP A 5 67.538 91.161 41.476 1.00 0.00 H ATOM 61 HD1 TRP A 5 68.624 93.449 41.055 1.00 0.00 H ATOM 62 HZ2 TRP A 5 65.961 89.443 40.214 1.00 0.00 H ATOM 63 HH2 TRP A 5 64.722 89.065 38.105 1.00 0.00 H ATOM 64 HZ3 TRP A 5 64.808 90.739 36.298 1.00 0.00 H ATOM 65 HE3 TRP A 5 66.123 92.823 36.576 1.00 0.00 H ATOM 66 H TRP A 5 66.117 94.837 40.214 1.00 0.00 H ATOM 67 N TYR A 6 64.872 95.126 37.481 1.00 27.53 N ATOM 68 CA TYR A 6 63.942 95.016 36.368 1.00 27.09 C ATOM 69 C TYR A 6 63.437 96.414 35.938 1.00 25.66 C ATOM 70 O TYR A 6 62.684 97.051 36.670 1.00 28.29 O ATOM 71 CB TYR A 6 62.773 94.095 36.788 1.00 24.78 C ATOM 72 CG TYR A 6 61.837 93.954 35.597 1.00 31.72 C ATOM 73 CD1 TYR A 6 62.206 93.161 34.517 1.00 31.25 C ATOM 74 CD2 TYR A 6 60.642 94.652 35.596 1.00 31.19 C ATOM 75 CE1 TYR A 6 61.389 93.059 33.416 1.00 34.07 C ATOM 76 CE2 TYR A 6 59.827 94.551 34.499 1.00 32.39 C ATOM 77 CZ TYR A 6 60.201 93.763 33.423 1.00 35.51 C ATOM 78 OH TYR A 6 59.356 93.703 32.330 1.00 40.36 O ATOM 79 HA TYR A 6 64.446 94.580 35.505 1.00 0.00 H ATOM 80 HB3 TYR A 6 62.238 94.535 37.630 1.00 0.00 H ATOM 81 HB2 TYR A 6 63.157 93.116 37.075 1.00 0.00 H ATOM 82 HD2 TYR A 6 60.356 95.268 36.448 1.00 0.00 H ATOM 83 HE2 TYR A 6 58.881 95.093 34.473 1.00 0.00 H ATOM 84 HE1 TYR A 6 61.670 92.441 32.563 1.00 0.00 H ATOM 85 HD1 TYR A 6 63.150 92.616 34.543 1.00 0.00 H ATOM 86 HH TYR A 6 59.748 93.107 31.643 1.00 0.00 H ATOM 87 H TYR A 6 64.532 94.973 38.452 1.00 0.00 H ATOM 88 N PHE A 7 63.843 96.937 34.778 1.00 21.39 N ATOM 89 CA PHE A 7 63.450 98.254 34.326 1.00 21.04 C ATOM 90 C PHE A 7 62.187 98.275 33.464 1.00 24.49 C ATOM 91 O PHE A 7 61.753 99.341 33.010 1.00 24.68 O ATOM 92 CB PHE A 7 64.610 98.897 33.543 1.00 17.60 C ATOM 93 CG PHE A 7 65.624 99.611 34.413 1.00 15.50 C ATOM 94 CD1 PHE A 7 66.167 99.023 35.529 1.00 17.44 C ATOM 95 CD2 PHE A 7 66.012 100.890 34.092 1.00 18.56 C ATOM 96 CE1 PHE A 7 67.083 99.713 36.315 1.00 17.21 C ATOM 97 CE2 PHE A 7 66.927 101.580 34.874 1.00 17.31 C ATOM 98 CZ PHE A 7 67.472 100.997 35.997 1.00 16.62 C ATOM 99 HA PHE A 7 63.214 98.822 35.226 1.00 0.00 H ATOM 100 HB2 PHE A 7 65.126 98.112 32.989 1.00 0.00 H ATOM 101 HB3 PHE A 7 64.191 99.619 32.842 1.00 0.00 H ATOM 102 HD2 PHE A 7 65.594 101.371 33.208 1.00 0.00 H ATOM 103 HE2 PHE A 7 67.218 102.593 34.597 1.00 0.00 H ATOM 104 HZ PHE A 7 68.190 101.535 36.616 1.00 0.00 H ATOM 105 HE1 PHE A 7 67.501 99.230 37.198 1.00 0.00 H ATOM 106 HD1 PHE A 7 65.878 98.008 35.801 1.00 0.00 H ATOM 107 H PHE A 7 64.471 96.371 34.172 1.00 0.00 H ATOM 108 N GLY A 8 61.572 97.127 33.179 1.00 24.50 N ATOM 109 CA GLY A 8 60.340 97.141 32.410 1.00 23.94 C ATOM 110 C GLY A 8 60.501 97.305 30.915 1.00 24.00 C ATOM 111 O GLY A 8 61.422 96.796 30.305 1.00 24.50 O ATOM 112 HA3 GLY A 8 59.727 97.966 32.774 1.00 0.00 H ATOM 113 HA2 GLY A 8 59.822 96.199 32.590 1.00 0.00 H ATOM 114 H GLY A 8 61.973 96.225 33.506 1.00 0.00 H ATOM 115 N LYS A 9 59.570 98.031 30.309 1.00 25.99 N ATOM 116 CA LYS A 9 59.519 98.213 28.881 1.00 27.21 C ATOM 117 C LYS A 9 60.336 99.408 28.487 1.00 27.65 C ATOM 118 O LYS A 9 59.776 100.433 28.099 1.00 35.14 O ATOM 119 CB LYS A 9 58.037 98.373 28.444 1.00 25.39 C ATOM 120 CG LYS A 9 57.229 97.110 28.743 1.00 29.61 C ATOM 121 CD LYS A 9 55.867 97.117 28.073 1.00 33.11 C ATOM 122 CE LYS A 9 55.183 95.754 27.839 1.00 36.01 C ATOM 123 NZ LYS A 9 55.025 94.927 29.030 1.00 38.61 N ATOM 124 HA LYS A 9 59.940 97.343 28.377 1.00 0.00 H ATOM 125 HB2 LYS A 9 57.597 99.212 28.982 1.00 0.00 H ATOM 126 HB3 LYS A 9 58.002 98.572 27.373 1.00 0.00 H ATOM 127 HG2 LYS A 9 57.789 96.245 28.388 1.00 0.00 H ATOM 128 HG3 LYS A 9 57.088 97.032 29.821 1.00 0.00 H ATOM 129 HD2 LYS A 9 55.200 97.715 28.694 1.00 0.00 H ATOM 130 HD3 LYS A 9 55.983 97.596 27.101 1.00 0.00 H ATOM 131 HE2 LYS A 9 55.780 95.196 27.117 1.00 0.00 H ATOM 132 HE3 LYS A 9 54.193 95.940 27.423 1.00 0.00 H ATOM 133 HZ1 LYS A 9 55.961 94.724 29.436 1.00 0.00 H ATOM 134 HZ2 LYS A 9 54.445 95.434 29.728 1.00 0.00 H ATOM 135 HZ3 LYS A 9 54.557 94.035 28.772 1.00 0.00 H ATOM 136 H LYS A 9 58.842 98.491 30.893 1.00 0.00 H ATOM 137 N ILE A 10 61.653 99.373 28.634 1.00 25.46 N ATOM 138 CA ILE A 10 62.398 100.524 28.167 1.00 24.96 C ATOM 139 C ILE A 10 63.208 100.136 26.940 1.00 25.25 C ATOM 140 O ILE A 10 63.522 98.977 26.646 1.00 29.28 O ATOM 141 CB ILE A 10 63.349 101.117 29.282 1.00 27.06 C ATOM 142 CG1 ILE A 10 64.568 100.261 29.638 1.00 27.43 C ATOM 143 CG2 ILE A 10 62.446 101.303 30.502 1.00 23.22 C ATOM 144 CD1 ILE A 10 65.556 100.972 30.595 1.00 23.41 C ATOM 145 HA ILE A 10 61.681 101.304 27.912 1.00 0.00 H ATOM 146 HB ILE A 10 63.799 102.039 28.913 1.00 0.00 H ATOM 147 HG12 ILE A 10 64.221 99.345 30.116 1.00 0.00 H ATOM 148 HG13 ILE A 10 65.096 100.011 28.718 1.00 0.00 H ATOM 149 HD11 ILE A 10 65.921 101.885 30.125 1.00 0.00 H ATOM 150 HD12 ILE A 10 65.044 101.219 31.525 1.00 0.00 H ATOM 151 HD13 ILE A 10 66.396 100.310 30.806 1.00 0.00 H ATOM 152 HG21 ILE A 10 61.637 101.989 30.252 1.00 0.00 H ATOM 153 HG22 ILE A 10 62.030 100.339 30.795 1.00 0.00 H ATOM 154 HG23 ILE A 10 63.030 101.713 31.326 1.00 0.00 H ATOM 155 H ILE A 10 62.130 98.556 29.065 1.00 0.00 H ATOM 156 N THR A 11 63.483 101.158 26.154 1.00 24.72 N ATOM 157 CA THR A 11 64.178 100.970 24.909 1.00 25.62 C ATOM 158 C THR A 11 65.683 100.725 25.042 1.00 27.98 C ATOM 159 O THR A 11 66.324 101.161 26.003 1.00 27.67 O ATOM 160 CB THR A 11 63.892 102.215 24.020 1.00 26.02 C ATOM 161 OG1 THR A 11 64.122 103.387 24.791 1.00 28.96 O ATOM 162 CG2 THR A 11 62.491 102.213 23.509 1.00 22.83 C ATOM 163 HA THR A 11 63.802 100.053 24.455 1.00 0.00 H ATOM 164 HB THR A 11 64.557 102.189 23.157 1.00 0.00 H ATOM 165 HG1 THR A 11 63.943 104.187 24.235 1.00 0.00 H ATOM 166 HG23 THR A 11 62.322 101.312 22.919 1.00 0.00 H ATOM 167 HG21 THR A 11 61.799 102.233 24.351 1.00 0.00 H ATOM 168 HG22 THR A 11 62.332 103.092 22.885 1.00 0.00 H ATOM 169 H THR A 11 63.193 102.115 26.439 1.00 0.00 H ATOM 170 N ARG A 12 66.253 99.971 24.081 1.00 27.50 N ATOM 171 CA ARG A 12 67.693 99.805 23.954 1.00 26.71 C ATOM 172 C ARG A 12 68.403 101.159 24.081 1.00 28.48 C ATOM 173 O ARG A 12 69.372 101.291 24.836 1.00 28.45 O ATOM 174 CB ARG A 12 68.027 99.160 22.590 1.00 24.13 C ATOM 175 CG ARG A 12 69.541 99.042 22.447 1.00 25.86 C ATOM 176 CD ARG A 12 70.106 98.419 21.200 1.00 26.36 C ATOM 177 NE ARG A 12 69.982 96.991 21.298 1.00 31.11 N ATOM 178 CZ ARG A 12 70.925 96.158 20.860 1.00 34.03 C ATOM 179 NH1 ARG A 12 72.052 96.615 20.304 1.00 30.40 N ATOM 180 NH2 ARG A 12 70.696 94.840 20.965 1.00 34.93 N ATOM 181 HA ARG A 12 68.042 99.154 24.755 1.00 0.00 H ATOM 182 HB2 ARG A 12 67.577 98.169 22.535 1.00 0.00 H ATOM 183 HB3 ARG A 12 67.632 99.781 21.786 1.00 0.00 H ATOM 184 HG2 ARG A 12 69.949 100.051 22.514 1.00 0.00 H ATOM 185 HG3 ARG A 12 69.897 98.450 23.290 1.00 0.00 H ATOM 186 HD2 ARG A 12 71.157 98.690 21.099 1.00 0.00 H ATOM 187 HD3 ARG A 12 69.555 98.776 20.330 1.00 0.00 H ATOM 188 HE ARG A 12 69.123 96.592 21.727 1.00 0.00 H ATOM 189 HH12 ARG A 12 72.775 95.946 19.969 1.00 0.00 H ATOM 190 HH11 ARG A 12 72.206 97.639 20.207 1.00 0.00 H ATOM 191 HH22 ARG A 12 71.410 94.160 20.633 1.00 0.00 H ATOM 192 HH21 ARG A 12 69.805 94.498 21.378 1.00 0.00 H ATOM 193 H ARG A 12 65.635 99.486 23.399 1.00 0.00 H ATOM 194 N ARG A 13 67.857 102.190 23.411 1.00 32.75 N ATOM 195 CA ARG A 13 68.430 103.526 23.463 1.00 35.26 C ATOM 196 C ARG A 13 68.503 104.053 24.878 1.00 33.94 C ATOM 197 O ARG A 13 69.543 104.553 25.291 1.00 32.98 O ATOM 198 CB ARG A 13 67.623 104.546 22.703 1.00 45.09 C ATOM 199 CG ARG A 13 67.495 104.520 21.184 1.00 56.57 C ATOM 200 CD ARG A 13 66.771 105.819 20.781 1.00 62.04 C ATOM 201 NE ARG A 13 67.662 106.979 20.757 1.00 68.43 N ATOM 202 CZ ARG A 13 67.689 107.929 21.701 1.00 70.51 C ATOM 203 NH1 ARG A 13 66.886 107.889 22.770 1.00 71.62 N ATOM 204 NH2 ARG A 13 68.559 108.934 21.562 1.00 70.76 N ATOM 205 HA ARG A 13 69.418 103.406 23.019 1.00 0.00 H ATOM 206 HB2 ARG A 13 66.608 104.482 23.094 1.00 0.00 H ATOM 207 HB3 ARG A 13 68.048 105.518 22.955 1.00 0.00 H ATOM 208 HG2 ARG A 13 68.482 104.481 20.724 1.00 0.00 H ATOM 209 HG3 ARG A 13 66.914 103.653 20.870 1.00 0.00 H ATOM 210 HD2 ARG A 13 65.971 106.009 21.496 1.00 0.00 H ATOM 211 HD3 ARG A 13 66.344 105.686 19.787 1.00 0.00 H ATOM 212 HE ARG A 13 68.317 107.072 19.955 1.00 0.00 H ATOM 213 HH12 ARG A 13 66.933 108.643 23.484 1.00 0.00 H ATOM 214 HH11 ARG A 13 66.215 107.103 22.887 1.00 0.00 H ATOM 215 HH22 ARG A 13 68.603 109.686 22.279 1.00 0.00 H ATOM 216 HH21 ARG A 13 69.192 108.964 20.737 1.00 0.00 H ATOM 217 H ARG A 13 67.003 102.027 22.841 1.00 0.00 H ATOM 218 N GLU A 14 67.430 103.934 25.658 1.00 34.07 N ATOM 219 CA GLU A 14 67.488 104.458 27.009 1.00 35.03 C ATOM 220 C GLU A 14 68.404 103.694 27.952 1.00 32.63 C ATOM 221 O GLU A 14 69.067 104.302 28.793 1.00 27.16 O ATOM 222 CB GLU A 14 66.075 104.498 27.596 1.00 38.25 C ATOM 223 CG GLU A 14 65.939 105.209 28.962 1.00 46.14 C ATOM 224 CD GLU A 14 66.351 106.687 29.086 1.00 51.15 C ATOM 225 OE1 GLU A 14 66.815 107.309 28.120 1.00 54.45 O ATOM 226 OE2 GLU A 14 66.208 107.230 30.182 1.00 52.95 O ATOM 227 HA GLU A 14 67.918 105.456 26.923 1.00 0.00 H ATOM 228 HB2 GLU A 14 65.430 105.013 26.884 1.00 0.00 H ATOM 229 HB3 GLU A 14 65.733 103.470 27.717 1.00 0.00 H ATOM 230 HG2 GLU A 14 64.890 105.146 29.251 1.00 0.00 H ATOM 231 HG3 GLU A 14 66.545 104.649 29.674 1.00 0.00 H ATOM 232 H GLU A 14 66.567 103.474 25.305 1.00 0.00 H ATOM 233 N SER A 15 68.459 102.360 27.798 1.00 34.20 N ATOM 234 CA SER A 15 69.260 101.529 28.678 1.00 32.35 C ATOM 235 C SER A 15 70.701 101.903 28.439 1.00 32.60 C ATOM 236 O SER A 15 71.427 102.073 29.415 1.00 33.85 O ATOM 237 CB SER A 15 69.051 100.047 28.383 1.00 30.33 C ATOM 238 OG SER A 15 69.510 99.671 27.101 1.00 26.81 O ATOM 239 HA SER A 15 68.971 101.693 29.716 1.00 0.00 H ATOM 240 HB2 SER A 15 67.986 99.826 28.450 1.00 0.00 H ATOM 241 HB3 SER A 15 69.590 99.464 29.130 1.00 0.00 H ATOM 242 HG SER A 15 69.022 100.188 26.412 1.00 0.00 H ATOM 243 H SER A 15 67.916 101.914 27.032 1.00 0.00 H ATOM 244 N GLU A 16 71.106 102.125 27.176 1.00 31.36 N ATOM 245 CA GLU A 16 72.478 102.554 26.919 1.00 33.32 C ATOM 246 C GLU A 16 72.800 103.918 27.494 1.00 33.21 C ATOM 247 O GLU A 16 73.867 104.102 28.077 1.00 33.02 O ATOM 248 CB GLU A 16 72.743 102.588 25.449 1.00 35.28 C ATOM 249 CG GLU A 16 72.666 101.165 24.953 1.00 42.03 C ATOM 250 CD GLU A 16 73.010 100.965 23.500 1.00 44.83 C ATOM 251 OE1 GLU A 16 72.683 101.820 22.670 1.00 48.70 O ATOM 252 OE2 GLU A 16 73.605 99.931 23.209 1.00 46.42 O ATOM 253 HA GLU A 16 73.116 101.823 27.416 1.00 0.00 H ATOM 254 HB2 GLU A 16 71.994 103.200 24.947 1.00 0.00 H ATOM 255 HB3 GLU A 16 73.734 102.999 25.257 1.00 0.00 H ATOM 256 HG2 GLU A 16 73.355 100.564 25.547 1.00 0.00 H ATOM 257 HG3 GLU A 16 71.648 100.809 25.109 1.00 0.00 H ATOM 258 H GLU A 16 70.444 101.992 26.385 1.00 0.00 H ATOM 259 N ARG A 17 71.821 104.829 27.388 1.00 32.89 N ATOM 260 CA ARG A 17 71.890 106.181 27.913 1.00 31.55 C ATOM 261 C ARG A 17 72.159 106.165 29.392 1.00 31.56 C ATOM 262 O ARG A 17 72.939 107.003 29.859 1.00 33.11 O ATOM 263 CB ARG A 17 70.585 106.938 27.704 1.00 36.42 C ATOM 264 CG ARG A 17 70.742 108.407 28.083 1.00 39.91 C ATOM 265 CD ARG A 17 69.430 109.154 28.223 1.00 41.61 C ATOM 266 NE ARG A 17 68.733 108.902 29.476 1.00 41.94 N ATOM 267 CZ ARG A 17 69.177 109.343 30.654 1.00 43.25 C ATOM 268 NH1 ARG A 17 70.307 110.050 30.762 1.00 45.21 N ATOM 269 NH2 ARG A 17 68.458 109.098 31.743 1.00 43.94 N ATOM 270 HA ARG A 17 72.697 106.676 27.373 1.00 0.00 H ATOM 271 HB2 ARG A 17 70.296 106.868 26.655 1.00 0.00 H ATOM 272 HB3 ARG A 17 69.809 106.490 28.324 1.00 0.00 H ATOM 273 HG2 ARG A 17 71.270 108.461 29.035 1.00 0.00 H ATOM 274 HG3 ARG A 17 71.335 108.898 27.312 1.00 0.00 H ATOM 275 HD2 ARG A 17 68.777 108.857 27.402 1.00 0.00 H ATOM 276 HD3 ARG A 17 69.635 110.222 28.154 1.00 0.00 H ATOM 277 HE ARG A 17 67.850 108.354 29.452 1.00 0.00 H ATOM 278 HH12 ARG A 17 70.627 110.380 31.695 1.00 0.00 H ATOM 279 HH11 ARG A 17 70.866 110.270 29.913 1.00 0.00 H ATOM 280 HH22 ARG A 17 68.788 109.434 32.670 1.00 0.00 H ATOM 281 HH21 ARG A 17 67.565 108.570 31.669 1.00 0.00 H ATOM 282 H ARG A 17 70.950 104.547 26.894 1.00 0.00 H ATOM 283 N LEU A 18 71.469 105.207 30.048 1.00 30.36 N ATOM 284 CA LEU A 18 71.524 104.969 31.484 1.00 30.48 C ATOM 285 C LEU A 18 72.750 104.165 31.935 1.00 31.43 C ATOM 286 O LEU A 18 73.250 104.319 33.055 1.00 32.05 O ATOM 287 CB LEU A 18 70.284 104.212 31.944 1.00 32.54 C ATOM 288 CG LEU A 18 68.895 104.829 31.935 1.00 33.14 C ATOM 289 CD1 LEU A 18 67.863 103.741 32.159 1.00 34.21 C ATOM 290 CD2 LEU A 18 68.767 105.843 33.040 1.00 30.81 C ATOM 291 HA LEU A 18 71.584 105.960 31.935 1.00 0.00 H ATOM 292 HB2 LEU A 18 70.223 103.322 31.317 1.00 0.00 H ATOM 293 HB3 LEU A 18 70.476 103.916 32.975 1.00 0.00 H ATOM 294 HG LEU A 18 68.734 105.316 30.973 1.00 0.00 H ATOM 295 HD21 LEU A 18 68.934 105.355 34.000 1.00 0.00 H ATOM 296 HD22 LEU A 18 69.508 106.630 32.897 1.00 0.00 H ATOM 297 HD23 LEU A 18 67.767 106.276 33.020 1.00 0.00 H ATOM 298 HD11 LEU A 18 67.939 103.000 31.363 1.00 0.00 H ATOM 299 HD12 LEU A 18 68.045 103.262 33.121 1.00 0.00 H ATOM 300 HD13 LEU A 18 66.866 104.181 32.153 1.00 0.00 H ATOM 301 H LEU A 18 70.850 104.591 29.484 1.00 0.00 H ATOM 302 N LEU A 19 73.268 103.277 31.089 1.00 30.36 N ATOM 303 CA LEU A 19 74.389 102.472 31.487 1.00 27.95 C ATOM 304 C LEU A 19 75.698 103.143 31.185 1.00 30.23 C ATOM 305 O LEU A 19 76.659 102.880 31.900 1.00 34.98 O ATOM 306 CB LEU A 19 74.300 101.145 30.780 1.00 24.96 C ATOM 307 CG LEU A 19 73.843 99.875 31.493 1.00 20.80 C ATOM 308 CD1 LEU A 19 73.155 100.153 32.780 1.00 14.13 C ATOM 309 CD2 LEU A 19 72.843 99.185 30.608 1.00 18.98 C ATOM 310 HA LEU A 19 74.352 102.328 32.567 1.00 0.00 H ATOM 311 HB2 LEU A 19 73.614 101.290 29.945 1.00 0.00 H ATOM 312 HB3 LEU A 19 75.299 100.937 30.396 1.00 0.00 H ATOM 313 HG LEU A 19 74.730 99.275 31.696 1.00 0.00 H ATOM 314 HD21 LEU A 19 71.995 99.848 30.434 1.00 0.00 H ATOM 315 HD22 LEU A 19 73.313 98.937 29.656 1.00 0.00 H ATOM 316 HD23 LEU A 19 72.499 98.272 31.094 1.00 0.00 H ATOM 317 HD11 LEU A 19 73.835 100.684 33.447 1.00 0.00 H ATOM 318 HD12 LEU A 19 72.274 100.767 32.594 1.00 0.00 H ATOM 319 HD13 LEU A 19 72.854 99.212 33.240 1.00 0.00 H ATOM 320 H LEU A 19 72.860 103.166 30.139 1.00 0.00 H ATOM 321 N LEU A 20 75.772 104.020 30.176 1.00 30.67 N ATOM 322 CA LEU A 20 77.008 104.725 29.825 1.00 30.76 C ATOM 323 C LEU A 20 77.448 105.888 30.724 1.00 31.50 C ATOM 324 O LEU A 20 78.351 106.664 30.395 1.00 32.27 O ATOM 325 CB LEU A 20 76.876 105.212 28.379 1.00 28.04 C ATOM 326 CG LEU A 20 77.483 104.406 27.234 1.00 24.90 C ATOM 327 CD1 LEU A 20 78.049 103.099 27.722 1.00 25.20 C ATOM 328 CD2 LEU A 20 76.413 104.166 26.202 1.00 19.88 C ATOM 329 HA LEU A 20 77.801 103.991 29.971 1.00 0.00 H ATOM 330 HB2 LEU A 20 75.809 105.294 28.173 1.00 0.00 H ATOM 331 HB3 LEU A 20 77.330 106.202 28.340 1.00 0.00 H ATOM 332 HG LEU A 20 78.308 104.968 26.796 1.00 0.00 H ATOM 333 HD21 LEU A 20 75.591 103.611 26.655 1.00 0.00 H ATOM 334 HD22 LEU A 20 76.046 105.123 25.831 1.00 0.00 H ATOM 335 HD23 LEU A 20 76.830 103.591 25.375 1.00 0.00 H ATOM 336 HD11 LEU A 20 78.828 103.294 28.459 1.00 0.00 H ATOM 337 HD12 LEU A 20 77.255 102.508 28.179 1.00 0.00 H ATOM 338 HD13 LEU A 20 78.473 102.551 26.880 1.00 0.00 H ATOM 339 H LEU A 20 74.915 104.209 29.617 1.00 0.00 H ATOM 340 N ASN A 21 76.819 105.995 31.893 1.00 30.53 N ATOM 341 CA ASN A 21 77.182 106.933 32.924 1.00 32.06 C ATOM 342 C ASN A 21 78.583 106.561 33.380 1.00 36.58 C ATOM 343 O ASN A 21 78.740 105.436 33.855 1.00 39.30 O ATOM 344 CB ASN A 21 76.171 106.773 34.005 1.00 30.76 C ATOM 345 CG ASN A 21 76.450 107.498 35.303 1.00 35.46 C ATOM 346 OD1 ASN A 21 77.510 108.086 35.501 1.00 36.87 O ATOM 347 ND2 ASN A 21 75.492 107.473 36.235 1.00 36.59 N ATOM 348 HA ASN A 21 77.192 107.974 32.602 1.00 0.00 H ATOM 349 HB2 ASN A 21 75.216 107.134 33.622 1.00 0.00 H ATOM 350 HB3 ASN A 21 76.092 105.709 34.230 1.00 0.00 H ATOM 351 HD22 ASN A 21 74.600 106.970 36.051 1.00 0.00 H ATOM 352 HD21 ASN A 21 75.638 107.956 37.144 1.00 0.00 H ATOM 353 H ASN A 21 76.015 105.361 32.073 1.00 0.00 H ATOM 354 N PRO A 22 79.624 107.419 33.263 1.00 41.49 N ATOM 355 CA PRO A 22 81.039 107.119 33.605 1.00 42.77 C ATOM 356 C PRO A 22 81.400 106.901 35.063 1.00 41.90 C ATOM 357 O PRO A 22 82.562 106.643 35.402 1.00 41.80 O ATOM 358 CB PRO A 22 81.865 108.262 33.014 1.00 41.38 C ATOM 359 CG PRO A 22 80.868 109.391 33.037 1.00 46.01 C ATOM 360 CD PRO A 22 79.556 108.720 32.597 1.00 44.40 C ATOM 361 HA PRO A 22 81.251 106.136 33.185 1.00 0.00 H ATOM 362 HD3 PRO A 22 78.690 109.290 32.934 1.00 0.00 H ATOM 363 HD2 PRO A 22 79.516 108.606 31.514 1.00 0.00 H ATOM 364 HG3 PRO A 22 81.155 110.179 32.341 1.00 0.00 H ATOM 365 HG2 PRO A 22 80.775 109.809 34.039 1.00 0.00 H ATOM 366 HB2 PRO A 22 82.736 108.486 33.631 1.00 0.00 H ATOM 367 HB3 PRO A 22 82.189 108.036 31.998 1.00 0.00 H ATOM 368 N GLU A 23 80.405 107.056 35.934 1.00 40.15 N ATOM 369 CA GLU A 23 80.656 106.746 37.309 1.00 40.52 C ATOM 370 C GLU A 23 80.095 105.379 37.653 1.00 39.90 C ATOM 371 O GLU A 23 80.230 104.922 38.790 1.00 45.55 O ATOM 372 CB GLU A 23 80.050 107.827 38.168 1.00 43.05 C ATOM 373 CG GLU A 23 78.553 107.865 38.322 1.00 48.22 C ATOM 374 CD GLU A 23 78.212 108.853 39.416 1.00 54.75 C ATOM 375 OE1 GLU A 23 78.435 108.502 40.578 1.00 56.06 O ATOM 376 OE2 GLU A 23 77.753 109.960 39.107 1.00 57.63 O ATOM 377 HA GLU A 23 81.729 106.709 37.495 1.00 0.00 H ATOM 378 HB2 GLU A 23 80.474 107.721 39.166 1.00 0.00 H ATOM 379 HB3 GLU A 23 80.355 108.784 37.745 1.00 0.00 H ATOM 380 HG2 GLU A 23 78.094 108.180 37.385 1.00 0.00 H ATOM 381 HG3 GLU A 23 78.185 106.875 38.591 1.00 0.00 H ATOM 382 H GLU A 23 79.471 107.393 35.624 1.00 0.00 H ATOM 383 N ASN A 24 79.474 104.692 36.681 1.00 35.13 N ATOM 384 CA ASN A 24 79.010 103.327 36.883 1.00 28.82 C ATOM 385 C ASN A 24 80.238 102.420 36.799 1.00 27.73 C ATOM 386 O ASN A 24 80.974 102.513 35.805 1.00 30.03 O ATOM 387 CB ASN A 24 78.032 102.877 35.798 1.00 25.69 C ATOM 388 CG ASN A 24 76.581 103.320 35.929 1.00 22.22 C ATOM 389 OD1 ASN A 24 76.012 103.496 37.006 1.00 21.79 O ATOM 390 ND2 ASN A 24 75.946 103.504 34.781 1.00 18.68 N ATOM 391 HA ASN A 24 78.498 103.274 37.844 1.00 0.00 H ATOM 392 HB2 ASN A 24 78.404 103.255 34.846 1.00 0.00 H ATOM 393 HB3 ASN A 24 78.040 101.787 35.783 1.00 0.00 H ATOM 394 HD22 ASN A 24 76.444 103.350 33.881 1.00 0.00 H ATOM 395 HD21 ASN A 24 74.950 103.802 34.780 1.00 0.00 H ATOM 396 H ASN A 24 79.320 105.147 35.759 1.00 0.00 H ATOM 397 N PRO A 25 80.505 101.520 37.764 1.00 23.47 N ATOM 398 CA PRO A 25 81.494 100.466 37.637 1.00 18.40 C ATOM 399 C PRO A 25 81.146 99.580 36.460 1.00 17.73 C ATOM 400 O PRO A 25 79.996 99.526 36.038 1.00 25.60 O ATOM 401 CB PRO A 25 81.439 99.718 38.908 1.00 18.70 C ATOM 402 CG PRO A 25 80.488 100.458 39.817 1.00 23.12 C ATOM 403 CD PRO A 25 79.600 101.171 38.847 1.00 24.24 C ATOM 404 HA PRO A 25 82.497 100.853 37.456 1.00 0.00 H ATOM 405 HD3 PRO A 25 78.801 100.518 38.495 1.00 0.00 H ATOM 406 HD2 PRO A 25 79.166 102.064 39.297 1.00 0.00 H ATOM 407 HG3 PRO A 25 81.021 101.163 40.455 1.00 0.00 H ATOM 408 HG2 PRO A 25 79.918 99.767 40.438 1.00 0.00 H ATOM 409 HB2 PRO A 25 81.076 98.706 38.731 1.00 0.00 H ATOM 410 HB3 PRO A 25 82.430 99.674 39.359 1.00 0.00 H ATOM 411 N ARG A 26 82.110 98.870 35.906 1.00 16.31 N ATOM 412 CA ARG A 26 81.935 97.891 34.835 1.00 15.30 C ATOM 413 C ARG A 26 81.156 96.744 35.412 1.00 16.91 C ATOM 414 O ARG A 26 81.360 96.324 36.555 1.00 19.36 O ATOM 415 CB ARG A 26 83.272 97.450 34.420 1.00 13.40 C ATOM 416 CG ARG A 26 83.434 96.486 33.319 1.00 14.30 C ATOM 417 CD ARG A 26 84.943 96.440 33.090 1.00 13.60 C ATOM 418 NE ARG A 26 85.082 95.525 31.998 1.00 20.89 N ATOM 419 CZ ARG A 26 86.037 94.617 31.881 1.00 23.06 C ATOM 420 NH1 ARG A 26 86.998 94.500 32.795 1.00 21.19 N ATOM 421 NH2 ARG A 26 85.928 93.756 30.862 1.00 23.22 N ATOM 422 HA ARG A 26 81.406 98.298 33.973 1.00 0.00 H ATOM 423 HB2 ARG A 26 83.822 98.347 34.133 1.00 0.00 H ATOM 424 HB3 ARG A 26 83.740 97.003 35.297 1.00 0.00 H ATOM 425 HG2 ARG A 26 83.055 95.505 33.603 1.00 0.00 H ATOM 426 HG3 ARG A 26 82.916 96.829 32.423 1.00 0.00 H ATOM 427 HD2 ARG A 26 85.462 96.073 33.976 1.00 0.00 H ATOM 428 HD3 ARG A 26 85.329 97.425 32.826 1.00 0.00 H ATOM 429 HE ARG A 26 84.376 95.578 31.236 1.00 0.00 H ATOM 430 HH12 ARG A 26 87.738 93.779 32.682 1.00 0.00 H ATOM 431 HH11 ARG A 26 87.008 95.130 33.622 1.00 0.00 H ATOM 432 HH22 ARG A 26 86.651 93.021 30.722 1.00 0.00 H ATOM 433 HH21 ARG A 26 85.121 93.822 30.210 1.00 0.00 H ATOM 434 H ARG A 26 83.076 99.020 36.261 1.00 0.00 H ATOM 435 N GLY A 27 80.205 96.276 34.634 1.00 18.86 N ATOM 436 CA GLY A 27 79.361 95.186 35.098 1.00 19.72 C ATOM 437 C GLY A 27 78.032 95.672 35.658 1.00 17.39 C ATOM 438 O GLY A 27 77.254 94.845 36.136 1.00 15.66 O ATOM 439 HA3 GLY A 27 79.891 94.642 35.880 1.00 0.00 H ATOM 440 HA2 GLY A 27 79.163 94.516 34.261 1.00 0.00 H ATOM 441 H GLY A 27 80.057 96.684 33.689 1.00 0.00 H ATOM 442 N THR A 28 77.771 96.991 35.625 1.00 11.26 N ATOM 443 CA THR A 28 76.474 97.524 36.012 1.00 12.30 C ATOM 444 C THR A 28 75.499 96.959 34.999 1.00 9.96 C ATOM 445 O THR A 28 75.848 96.762 33.841 1.00 12.30 O ATOM 446 CB THR A 28 76.492 99.074 35.959 1.00 14.56 C ATOM 447 OG1 THR A 28 77.346 99.520 37.012 1.00 21.56 O ATOM 448 CG2 THR A 28 75.164 99.701 36.195 1.00 10.26 C ATOM 449 HA THR A 28 76.201 97.250 37.031 1.00 0.00 H ATOM 450 HB THR A 28 76.821 99.359 34.960 1.00 0.00 H ATOM 451 HG1 THR A 28 78.256 99.155 36.874 1.00 0.00 H ATOM 452 HG23 THR A 28 74.472 99.389 35.412 1.00 0.00 H ATOM 453 HG21 THR A 28 74.782 99.386 37.166 1.00 0.00 H ATOM 454 HG22 THR A 28 75.268 100.786 36.179 1.00 0.00 H ATOM 455 H THR A 28 78.516 97.647 35.315 1.00 0.00 H ATOM 456 N PHE A 29 74.283 96.644 35.424 1.00 10.84 N ATOM 457 CA PHE A 29 73.304 96.009 34.579 1.00 9.01 C ATOM 458 C PHE A 29 71.852 96.406 34.858 1.00 12.91 C ATOM 459 O PHE A 29 71.485 96.931 35.913 1.00 16.76 O ATOM 460 CB PHE A 29 73.456 94.502 34.747 1.00 7.71 C ATOM 461 CG PHE A 29 73.054 93.995 36.130 1.00 5.38 C ATOM 462 CD1 PHE A 29 73.975 93.972 37.139 1.00 2.00 C ATOM 463 CD2 PHE A 29 71.758 93.574 36.374 1.00 4.31 C ATOM 464 CE1 PHE A 29 73.590 93.532 38.380 1.00 6.93 C ATOM 465 CE2 PHE A 29 71.378 93.135 37.620 1.00 6.32 C ATOM 466 CZ PHE A 29 72.300 93.115 38.627 1.00 7.19 C ATOM 467 HA PHE A 29 73.500 96.344 33.560 1.00 0.00 H ATOM 468 HB2 PHE A 29 72.830 94.008 34.004 1.00 0.00 H ATOM 469 HB3 PHE A 29 74.500 94.240 34.574 1.00 0.00 H ATOM 470 HD2 PHE A 29 71.027 93.591 35.565 1.00 0.00 H ATOM 471 HE2 PHE A 29 70.354 92.807 37.802 1.00 0.00 H ATOM 472 HZ PHE A 29 72.017 92.771 39.622 1.00 0.00 H ATOM 473 HE1 PHE A 29 74.321 93.512 39.189 1.00 0.00 H ATOM 474 HD1 PHE A 29 75.000 94.298 36.961 1.00 0.00 H ATOM 475 H PHE A 29 74.026 96.864 36.407 1.00 0.00 H ATOM 476 N LEU A 30 70.979 96.043 33.919 1.00 11.33 N ATOM 477 CA LEU A 30 69.557 96.103 34.150 1.00 10.95 C ATOM 478 C LEU A 30 68.874 95.070 33.247 1.00 11.77 C ATOM 479 O LEU A 30 69.473 94.663 32.253 1.00 13.25 O ATOM 480 CB LEU A 30 69.110 97.536 33.875 1.00 10.31 C ATOM 481 CG LEU A 30 69.363 98.163 32.519 1.00 9.19 C ATOM 482 CD1 LEU A 30 68.356 97.677 31.493 1.00 11.95 C ATOM 483 CD2 LEU A 30 69.208 99.649 32.639 1.00 8.32 C ATOM 484 HA LEU A 30 69.284 95.856 35.176 1.00 0.00 H ATOM 485 HB2 LEU A 30 68.033 97.567 34.040 1.00 0.00 H ATOM 486 HB3 LEU A 30 69.607 98.167 34.611 1.00 0.00 H ATOM 487 HG LEU A 30 70.367 97.886 32.198 1.00 0.00 H ATOM 488 HD21 LEU A 30 68.197 99.882 32.972 1.00 0.00 H ATOM 489 HD22 LEU A 30 69.927 100.031 33.364 1.00 0.00 H ATOM 490 HD23 LEU A 30 69.388 100.111 31.668 1.00 0.00 H ATOM 491 HD11 LEU A 30 68.432 96.594 31.396 1.00 0.00 H ATOM 492 HD12 LEU A 30 67.350 97.944 31.818 1.00 0.00 H ATOM 493 HD13 LEU A 30 68.565 98.145 30.531 1.00 0.00 H ATOM 494 H LEU A 30 71.331 95.709 32.999 1.00 0.00 H ATOM 495 N VAL A 31 67.645 94.612 33.559 1.00 12.97 N ATOM 496 CA VAL A 31 66.906 93.650 32.746 1.00 12.56 C ATOM 497 C VAL A 31 65.680 94.420 32.218 1.00 17.68 C ATOM 498 O VAL A 31 64.958 95.101 32.943 1.00 21.51 O ATOM 499 CB VAL A 31 66.506 92.412 33.632 1.00 10.14 C ATOM 500 CG1 VAL A 31 65.868 91.320 32.777 1.00 3.59 C ATOM 501 CG2 VAL A 31 67.754 91.757 34.258 1.00 7.57 C ATOM 502 HA VAL A 31 67.488 93.252 31.915 1.00 0.00 H ATOM 503 HB VAL A 31 65.821 92.787 34.393 1.00 0.00 H ATOM 504 HG11 VAL A 31 64.973 91.714 32.296 1.00 0.00 H ATOM 505 HG12 VAL A 31 66.578 90.995 32.016 1.00 0.00 H ATOM 506 HG13 VAL A 31 65.600 90.475 33.411 1.00 0.00 H ATOM 507 HG21 VAL A 31 68.422 91.420 33.465 1.00 0.00 H ATOM 508 HG22 VAL A 31 68.269 92.485 34.884 1.00 0.00 H ATOM 509 HG23 VAL A 31 67.449 90.904 34.865 1.00 0.00 H ATOM 510 H VAL A 31 67.197 94.964 34.429 1.00 0.00 H ATOM 511 N ARG A 32 65.450 94.396 30.909 1.00 16.99 N ATOM 512 CA ARG A 32 64.339 95.083 30.299 1.00 13.73 C ATOM 513 C ARG A 32 63.606 94.126 29.364 1.00 17.37 C ATOM 514 O ARG A 32 63.907 92.947 29.243 1.00 19.04 O ATOM 515 CB ARG A 32 64.867 96.276 29.526 1.00 9.66 C ATOM 516 CG ARG A 32 65.706 95.920 28.315 1.00 7.31 C ATOM 517 CD ARG A 32 66.386 97.149 27.757 1.00 13.76 C ATOM 518 NE ARG A 32 67.544 96.864 26.922 1.00 17.22 N ATOM 519 CZ ARG A 32 67.391 96.347 25.696 1.00 21.39 C ATOM 520 NH1 ARG A 32 66.183 96.070 25.202 1.00 19.11 N ATOM 521 NH2 ARG A 32 68.450 96.146 24.917 1.00 15.86 N ATOM 522 HA ARG A 32 63.642 95.429 31.062 1.00 0.00 H ATOM 523 HB2 ARG A 32 64.016 96.867 29.189 1.00 0.00 H ATOM 524 HB3 ARG A 32 65.479 96.875 30.200 1.00 0.00 H ATOM 525 HG2 ARG A 32 66.464 95.192 28.606 1.00 0.00 H ATOM 526 HG3 ARG A 32 65.063 95.487 27.549 1.00 0.00 H ATOM 527 HD2 ARG A 32 66.711 97.769 28.592 1.00 0.00 H ATOM 528 HD3 ARG A 32 65.660 97.700 27.159 1.00 0.00 H ATOM 529 HE ARG A 32 68.499 97.064 27.281 1.00 0.00 H ATOM 530 HH12 ARG A 32 66.091 95.669 24.247 1.00 0.00 H ATOM 531 HH11 ARG A 32 65.333 96.255 25.772 1.00 0.00 H ATOM 532 HH22 ARG A 32 68.327 95.744 23.966 1.00 0.00 H ATOM 533 HH21 ARG A 32 69.401 96.390 25.259 1.00 0.00 H ATOM 534 H ARG A 32 66.099 93.859 30.299 1.00 0.00 H ATOM 535 N GLU A 33 62.592 94.602 28.678 1.00 19.82 N ATOM 536 CA GLU A 33 61.905 93.803 27.706 1.00 23.62 C ATOM 537 C GLU A 33 62.641 93.939 26.390 1.00 25.15 C ATOM 538 O GLU A 33 63.361 94.912 26.161 1.00 28.70 O ATOM 539 CB GLU A 33 60.484 94.312 27.634 1.00 26.59 C ATOM 540 CG GLU A 33 59.766 93.824 28.896 1.00 40.20 C ATOM 541 CD GLU A 33 58.238 93.777 28.850 1.00 45.21 C ATOM 542 OE1 GLU A 33 57.688 93.871 27.746 1.00 47.22 O ATOM 543 OE2 GLU A 33 57.611 93.649 29.917 1.00 48.97 O ATOM 544 HA GLU A 33 61.878 92.744 27.963 1.00 0.00 H ATOM 545 HB2 GLU A 33 60.478 95.401 27.598 1.00 0.00 H ATOM 546 HB3 GLU A 33 59.990 93.918 26.746 1.00 0.00 H ATOM 547 HG2 GLU A 33 60.120 92.815 29.107 1.00 0.00 H ATOM 548 HG3 GLU A 33 60.051 94.486 29.714 1.00 0.00 H ATOM 549 H GLU A 33 62.281 95.580 28.844 1.00 0.00 H ATOM 550 N SER A 34 62.512 92.983 25.490 1.00 27.67 N ATOM 551 CA SER A 34 63.167 93.148 24.212 1.00 32.93 C ATOM 552 C SER A 34 62.306 93.966 23.258 1.00 37.80 C ATOM 553 O SER A 34 61.146 93.595 23.043 1.00 43.14 O ATOM 554 CB SER A 34 63.436 91.814 23.572 1.00 28.94 C ATOM 555 OG SER A 34 64.180 92.107 22.406 1.00 32.74 O ATOM 556 HA SER A 34 64.107 93.668 24.400 1.00 0.00 H ATOM 557 HB2 SER A 34 62.501 91.317 23.314 1.00 0.00 H ATOM 558 HB3 SER A 34 64.012 91.177 24.243 1.00 0.00 H ATOM 559 HG SER A 34 65.020 92.566 22.659 1.00 0.00 H ATOM 560 H SER A 34 61.952 92.131 25.695 1.00 0.00 H ATOM 561 N GLU A 35 62.836 95.079 22.699 1.00 39.12 N ATOM 562 CA GLU A 35 62.162 95.852 21.642 1.00 37.45 C ATOM 563 C GLU A 35 62.040 95.066 20.341 1.00 36.96 C ATOM 564 O GLU A 35 61.073 95.180 19.603 1.00 41.30 O ATOM 565 CB GLU A 35 62.902 97.091 21.248 1.00 38.84 C ATOM 566 CG GLU A 35 62.945 98.264 22.189 1.00 43.05 C ATOM 567 CD GLU A 35 63.505 99.486 21.466 1.00 45.36 C ATOM 568 OE1 GLU A 35 62.720 100.151 20.791 1.00 51.35 O ATOM 569 OE2 GLU A 35 64.701 99.773 21.561 1.00 40.93 O ATOM 570 HA GLU A 35 61.194 96.087 22.085 1.00 0.00 H ATOM 571 HB2 GLU A 35 63.935 96.797 21.062 1.00 0.00 H ATOM 572 HB3 GLU A 35 62.453 97.446 20.320 1.00 0.00 H ATOM 573 HG2 GLU A 35 61.937 98.482 22.542 1.00 0.00 H ATOM 574 HG3 GLU A 35 63.582 98.023 23.040 1.00 0.00 H ATOM 575 H GLU A 35 63.766 95.405 23.033 1.00 0.00 H ATOM 576 N THR A 36 63.024 94.234 20.043 1.00 35.21 N ATOM 577 CA THR A 36 63.051 93.490 18.814 1.00 33.91 C ATOM 578 C THR A 36 62.373 92.163 18.856 1.00 31.33 C ATOM 579 O THR A 36 61.918 91.743 17.813 1.00 33.50 O ATOM 580 CB THR A 36 64.518 93.321 18.425 1.00 38.11 C ATOM 581 OG1 THR A 36 64.882 94.647 18.051 1.00 44.75 O ATOM 582 CG2 THR A 36 64.825 92.351 17.292 1.00 48.07 C ATOM 583 HA THR A 36 62.480 94.056 18.077 1.00 0.00 H ATOM 584 HB THR A 36 65.072 92.876 19.252 1.00 0.00 H ATOM 585 HG1 THR A 36 65.832 94.661 17.774 1.00 0.00 H ATOM 586 HG23 THR A 36 64.542 91.342 17.592 1.00 0.00 H ATOM 587 HG21 THR A 36 64.260 92.640 16.405 1.00 0.00 H ATOM 588 HG22 THR A 36 65.892 92.379 17.070 1.00 0.00 H ATOM 589 H THR A 36 63.804 94.114 20.721 1.00 0.00 H ATOM 590 N THR A 37 62.271 91.471 19.972 1.00 31.61 N ATOM 591 CA THR A 37 61.748 90.117 19.976 1.00 32.69 C ATOM 592 C THR A 37 60.707 90.097 21.052 1.00 34.30 C ATOM 593 O THR A 37 60.994 90.100 22.241 1.00 36.87 O ATOM 594 CB THR A 37 62.828 89.068 20.326 1.00 33.71 C ATOM 595 OG1 THR A 37 63.934 89.264 19.440 1.00 32.49 O ATOM 596 CG2 THR A 37 62.252 87.648 20.271 1.00 31.74 C ATOM 597 HA THR A 37 61.366 89.864 18.987 1.00 0.00 H ATOM 598 HB THR A 37 63.178 89.196 21.350 1.00 0.00 H ATOM 599 HG1 THR A 37 64.641 88.602 19.645 1.00 0.00 H ATOM 600 HG23 THR A 37 61.417 87.569 20.967 1.00 0.00 H ATOM 601 HG21 THR A 37 61.905 87.437 19.260 1.00 0.00 H ATOM 602 HG22 THR A 37 63.026 86.932 20.548 1.00 0.00 H ATOM 603 H THR A 37 62.571 91.904 20.869 1.00 0.00 H ATOM 604 N LYS A 38 59.469 90.032 20.636 1.00 38.10 N ATOM 605 CA LYS A 38 58.424 90.127 21.607 1.00 44.33 C ATOM 606 C LYS A 38 58.121 88.801 22.279 1.00 44.56 C ATOM 607 O LYS A 38 57.939 87.761 21.646 1.00 45.34 O ATOM 608 CB LYS A 38 57.317 90.790 20.810 1.00 51.02 C ATOM 609 CG LYS A 38 57.846 92.272 20.788 1.00 61.44 C ATOM 610 CD LYS A 38 57.281 93.325 19.828 1.00 64.91 C ATOM 611 CE LYS A 38 57.866 94.686 20.171 1.00 65.72 C ATOM 612 NZ LYS A 38 57.617 95.615 19.082 1.00 71.49 N ATOM 613 HA LYS A 38 58.656 90.714 22.496 1.00 0.00 H ATOM 614 HB2 LYS A 38 57.236 90.374 19.806 1.00 0.00 H ATOM 615 HB3 LYS A 38 56.353 90.712 21.313 1.00 0.00 H ATOM 616 HG2 LYS A 38 57.695 92.664 21.794 1.00 0.00 H ATOM 617 HG3 LYS A 38 58.914 92.211 20.579 1.00 0.00 H ATOM 618 HD2 LYS A 38 57.545 93.063 18.804 1.00 0.00 H ATOM 619 HD3 LYS A 38 56.196 93.360 19.924 1.00 0.00 H ATOM 620 HE2 LYS A 38 58.940 94.590 20.327 1.00 0.00 H ATOM 621 HE3 LYS A 38 57.400 95.062 21.082 1.00 0.00 H ATOM 622 HZ1 LYS A 38 58.063 95.257 18.213 1.00 0.00 H ATOM 623 HZ2 LYS A 38 56.592 95.707 18.934 1.00 0.00 H ATOM 624 HZ3 LYS A 38 58.019 96.544 19.322 1.00 0.00 H ATOM 625 H LYS A 38 59.250 89.914 19.626 1.00 0.00 H ATOM 626 N GLY A 39 58.243 88.909 23.615 1.00 44.17 N ATOM 627 CA GLY A 39 58.114 87.804 24.572 1.00 44.04 C ATOM 628 C GLY A 39 59.432 87.470 25.303 1.00 44.18 C ATOM 629 O GLY A 39 59.457 86.775 26.322 1.00 44.34 O ATOM 630 HA3 GLY A 39 57.783 86.916 24.033 1.00 0.00 H ATOM 631 HA2 GLY A 39 57.365 88.076 25.316 1.00 0.00 H ATOM 632 H GLY A 39 58.445 89.853 24.001 1.00 0.00 H ATOM 633 N ALA A 40 60.544 87.971 24.754 1.00 42.02 N ATOM 634 CA ALA A 40 61.886 87.763 25.255 1.00 39.13 C ATOM 635 C ALA A 40 62.404 88.978 26.002 1.00 38.31 C ATOM 636 O ALA A 40 62.083 90.111 25.637 1.00 38.95 O ATOM 637 CB ALA A 40 62.830 87.501 24.105 1.00 39.72 C ATOM 638 HA ALA A 40 61.843 86.912 25.934 1.00 0.00 H ATOM 639 HB1 ALA A 40 62.505 86.611 23.566 1.00 0.00 H ATOM 640 HB2 ALA A 40 62.826 88.358 23.431 1.00 0.00 H ATOM 641 HB3 ALA A 40 63.837 87.346 24.492 1.00 0.00 H ATOM 642 H ALA A 40 60.436 88.556 23.901 1.00 0.00 H ATOM 643 N TYR A 41 63.227 88.790 27.039 1.00 34.10 N ATOM 644 CA TYR A 41 63.817 89.934 27.726 1.00 27.67 C ATOM 645 C TYR A 41 65.250 90.152 27.307 1.00 24.39 C ATOM 646 O TYR A 41 65.765 89.471 26.431 1.00 23.16 O ATOM 647 CB TYR A 41 63.824 89.760 29.211 1.00 24.94 C ATOM 648 CG TYR A 41 62.440 89.547 29.756 1.00 24.50 C ATOM 649 CD1 TYR A 41 61.947 88.276 29.737 1.00 26.21 C ATOM 650 CD2 TYR A 41 61.728 90.600 30.265 1.00 25.99 C ATOM 651 CE1 TYR A 41 60.707 88.031 30.232 1.00 28.59 C ATOM 652 CE2 TYR A 41 60.478 90.361 30.766 1.00 30.28 C ATOM 653 CZ TYR A 41 59.990 89.074 30.739 1.00 29.68 C ATOM 654 OH TYR A 41 58.742 88.799 31.244 1.00 37.09 O ATOM 655 HA TYR A 41 63.197 90.787 27.450 1.00 0.00 H ATOM 656 HB3 TYR A 41 64.250 90.653 29.669 1.00 0.00 H ATOM 657 HB2 TYR A 41 64.439 88.896 29.462 1.00 0.00 H ATOM 658 HD2 TYR A 41 62.148 91.606 30.271 1.00 0.00 H ATOM 659 HE2 TYR A 41 59.880 91.174 31.179 1.00 0.00 H ATOM 660 HE1 TYR A 41 60.294 87.022 30.224 1.00 0.00 H ATOM 661 HD1 TYR A 41 62.545 87.462 29.327 1.00 0.00 H ATOM 662 HH TYR A 41 58.553 87.832 31.145 1.00 0.00 H ATOM 663 H TYR A 41 63.447 87.825 27.357 1.00 0.00 H ATOM 664 N CYS A 42 65.916 91.113 27.929 1.00 23.34 N ATOM 665 CA CYS A 42 67.281 91.419 27.594 1.00 21.91 C ATOM 666 C CYS A 42 68.110 91.843 28.817 1.00 20.33 C ATOM 667 O CYS A 42 67.597 92.443 29.748 1.00 20.97 O ATOM 668 CB CYS A 42 67.156 92.464 26.530 1.00 16.68 C ATOM 669 SG CYS A 42 68.801 93.069 26.170 1.00 29.01 S ATOM 670 HA CYS A 42 67.840 90.556 27.234 1.00 0.00 H ATOM 671 HB2 CYS A 42 66.528 93.282 26.884 1.00 0.00 H ATOM 672 HB3 CYS A 42 66.714 92.030 25.633 1.00 0.00 H ATOM 673 HG CYS A 42 69.587 92.024 25.729 1.00 0.00 H ATOM 674 H CYS A 42 65.441 91.659 28.676 1.00 0.00 H ATOM 675 N LEU A 43 69.401 91.512 28.899 1.00 21.77 N ATOM 676 CA LEU A 43 70.300 91.884 29.998 1.00 17.84 C ATOM 677 C LEU A 43 71.320 92.847 29.407 1.00 17.47 C ATOM 678 O LEU A 43 72.102 92.475 28.523 1.00 15.43 O ATOM 679 CB LEU A 43 70.986 90.630 30.533 1.00 12.15 C ATOM 680 CG LEU A 43 72.059 90.755 31.603 1.00 11.25 C ATOM 681 CD1 LEU A 43 71.524 91.343 32.890 1.00 6.58 C ATOM 682 CD2 LEU A 43 72.591 89.370 31.859 1.00 7.53 C ATOM 683 HA LEU A 43 69.766 92.350 30.826 1.00 0.00 H ATOM 684 HB2 LEU A 43 70.203 89.992 30.943 1.00 0.00 H ATOM 685 HB3 LEU A 43 71.447 90.133 29.679 1.00 0.00 H ATOM 686 HG LEU A 43 72.838 91.432 31.253 1.00 0.00 H ATOM 687 HD21 LEU A 43 71.779 88.728 32.201 1.00 0.00 H ATOM 688 HD22 LEU A 43 73.011 88.967 30.937 1.00 0.00 H ATOM 689 HD23 LEU A 43 73.366 89.416 32.624 1.00 0.00 H ATOM 690 HD11 LEU A 43 71.125 92.338 32.695 1.00 0.00 H ATOM 691 HD12 LEU A 43 70.733 90.702 33.279 1.00 0.00 H ATOM 692 HD13 LEU A 43 72.331 91.410 33.620 1.00 0.00 H ATOM 693 H LEU A 43 69.801 90.946 28.123 1.00 0.00 H ATOM 694 N SER A 44 71.291 94.115 29.823 1.00 18.02 N ATOM 695 CA SER A 44 72.235 95.096 29.278 1.00 17.39 C ATOM 696 C SER A 44 73.323 95.354 30.318 1.00 18.23 C ATOM 697 O SER A 44 73.051 95.857 31.408 1.00 20.36 O ATOM 698 CB SER A 44 71.485 96.385 28.934 1.00 12.31 C ATOM 699 OG SER A 44 70.305 96.134 28.175 1.00 8.06 O ATOM 700 HA SER A 44 72.699 94.719 28.366 1.00 0.00 H ATOM 701 HB2 SER A 44 72.144 97.032 28.355 1.00 0.00 H ATOM 702 HB3 SER A 44 71.207 96.888 29.860 1.00 0.00 H ATOM 703 HG SER A 44 70.549 95.683 27.328 1.00 0.00 H ATOM 704 H SER A 44 70.595 94.409 30.538 1.00 0.00 H ATOM 705 N VAL A 45 74.563 94.957 30.004 1.00 20.18 N ATOM 706 CA VAL A 45 75.708 95.046 30.924 1.00 20.33 C ATOM 707 C VAL A 45 76.638 96.143 30.423 1.00 18.96 C ATOM 708 O VAL A 45 76.858 96.189 29.209 1.00 19.49 O ATOM 709 CB VAL A 45 76.546 93.714 30.981 1.00 20.69 C ATOM 710 CG1 VAL A 45 77.347 93.709 32.255 1.00 20.46 C ATOM 711 CG2 VAL A 45 75.674 92.480 30.978 1.00 20.57 C ATOM 712 HA VAL A 45 75.312 95.248 31.919 1.00 0.00 H ATOM 713 HB VAL A 45 77.179 93.686 30.094 1.00 0.00 H ATOM 714 HG11 VAL A 45 78.015 94.570 32.266 1.00 0.00 H ATOM 715 HG12 VAL A 45 76.671 93.761 33.108 1.00 0.00 H ATOM 716 HG13 VAL A 45 77.934 92.792 32.310 1.00 0.00 H ATOM 717 HG21 VAL A 45 75.015 92.500 31.846 1.00 0.00 H ATOM 718 HG22 VAL A 45 75.076 92.462 30.067 1.00 0.00 H ATOM 719 HG23 VAL A 45 76.304 91.591 31.018 1.00 0.00 H ATOM 720 H VAL A 45 74.726 94.563 29.055 1.00 0.00 H ATOM 721 N SER A 46 77.166 97.057 31.256 1.00 16.78 N ATOM 722 CA SER A 46 78.151 97.982 30.722 1.00 18.29 C ATOM 723 C SER A 46 79.549 97.396 30.875 1.00 20.87 C ATOM 724 O SER A 46 79.921 96.730 31.840 1.00 22.40 O ATOM 725 CB SER A 46 78.098 99.340 31.428 1.00 16.53 C ATOM 726 OG SER A 46 78.480 99.340 32.789 1.00 14.43 O ATOM 727 HA SER A 46 77.918 98.135 29.668 1.00 0.00 H ATOM 728 HB2 SER A 46 77.074 99.709 31.367 1.00 0.00 H ATOM 729 HB3 SER A 46 78.761 100.021 30.894 1.00 0.00 H ATOM 730 HG SER A 46 79.414 99.022 32.868 1.00 0.00 H ATOM 731 H SER A 46 76.877 97.101 32.254 1.00 0.00 H ATOM 732 N ASP A 47 80.349 97.612 29.854 1.00 21.34 N ATOM 733 CA ASP A 47 81.685 97.104 29.808 1.00 22.11 C ATOM 734 C ASP A 47 82.671 98.220 29.493 1.00 22.13 C ATOM 735 O ASP A 47 82.272 99.329 29.159 1.00 20.96 O ATOM 736 CB ASP A 47 81.637 96.032 28.778 1.00 26.57 C ATOM 737 CG ASP A 47 82.574 94.861 28.986 1.00 31.67 C ATOM 738 OD1 ASP A 47 83.199 94.734 30.040 1.00 29.41 O ATOM 739 OD2 ASP A 47 82.659 94.054 28.062 1.00 33.25 O ATOM 740 HA ASP A 47 82.034 96.701 30.759 1.00 0.00 H ATOM 741 HB2 ASP A 47 80.619 95.643 28.750 1.00 0.00 H ATOM 742 HB3 ASP A 47 81.878 96.484 27.816 1.00 0.00 H ATOM 743 H ASP A 47 79.998 98.172 29.051 1.00 0.00 H ATOM 744 N PHE A 48 83.972 98.003 29.663 1.00 23.93 N ATOM 745 CA PHE A 48 84.958 99.014 29.354 1.00 26.42 C ATOM 746 C PHE A 48 86.090 98.266 28.749 1.00 27.74 C ATOM 747 O PHE A 48 86.970 97.696 29.390 1.00 29.71 O ATOM 748 CB PHE A 48 85.582 99.783 30.553 1.00 27.55 C ATOM 749 CG PHE A 48 86.680 100.760 30.088 1.00 32.51 C ATOM 750 CD1 PHE A 48 86.346 102.012 29.629 1.00 34.53 C ATOM 751 CD2 PHE A 48 88.030 100.401 30.100 1.00 37.23 C ATOM 752 CE1 PHE A 48 87.332 102.878 29.195 1.00 38.65 C ATOM 753 CE2 PHE A 48 89.016 101.268 29.663 1.00 37.06 C ATOM 754 CZ PHE A 48 88.663 102.515 29.208 1.00 38.89 C ATOM 755 HA PHE A 48 84.450 99.762 28.745 1.00 0.00 H ATOM 756 HB2 PHE A 48 84.798 100.346 31.060 1.00 0.00 H ATOM 757 HB3 PHE A 48 86.018 99.064 31.247 1.00 0.00 H ATOM 758 HD2 PHE A 48 88.314 99.413 30.463 1.00 0.00 H ATOM 759 HE2 PHE A 48 90.063 100.964 29.680 1.00 0.00 H ATOM 760 HZ PHE A 48 89.427 103.211 28.861 1.00 0.00 H ATOM 761 HE1 PHE A 48 87.052 103.868 28.835 1.00 0.00 H ATOM 762 HD1 PHE A 48 85.301 102.322 29.607 1.00 0.00 H ATOM 763 H PHE A 48 84.288 97.082 30.028 1.00 0.00 H ATOM 764 N ASP A 49 86.043 98.309 27.452 1.00 31.09 N ATOM 765 CA ASP A 49 87.193 97.873 26.693 1.00 30.46 C ATOM 766 C ASP A 49 88.069 99.120 26.518 1.00 29.90 C ATOM 767 O ASP A 49 87.535 100.145 26.114 1.00 33.50 O ATOM 768 CB ASP A 49 86.637 97.322 25.396 1.00 27.01 C ATOM 769 CG ASP A 49 87.629 97.305 24.276 1.00 24.59 C ATOM 770 OD1 ASP A 49 88.772 96.929 24.500 1.00 34.09 O ATOM 771 OD2 ASP A 49 87.266 97.661 23.172 1.00 27.47 O ATOM 772 HA ASP A 49 87.805 97.097 27.153 1.00 0.00 H ATOM 773 HB2 ASP A 49 86.299 96.301 25.572 1.00 0.00 H ATOM 774 HB3 ASP A 49 85.789 97.937 25.096 1.00 0.00 H ATOM 775 H ASP A 49 85.190 98.652 26.966 1.00 0.00 H ATOM 776 N ASN A 50 89.382 99.175 26.783 1.00 31.90 N ATOM 777 CA ASN A 50 90.209 100.348 26.399 1.00 32.17 C ATOM 778 C ASN A 50 90.102 100.507 24.861 1.00 32.62 C ATOM 779 O ASN A 50 89.587 99.553 24.263 1.00 35.45 O ATOM 780 CB ASN A 50 91.656 100.094 26.819 1.00 30.76 C ATOM 781 CG ASN A 50 92.597 101.262 26.566 1.00 30.22 C ATOM 782 OD1 ASN A 50 92.657 101.763 25.455 1.00 34.64 O ATOM 783 ND2 ASN A 50 93.358 101.790 27.517 1.00 24.27 N ATOM 784 HA ASN A 50 89.866 101.259 26.889 1.00 0.00 H ATOM 785 HB2 ASN A 50 91.668 99.871 27.886 1.00 0.00 H ATOM 786 HB3 ASN A 50 92.026 99.231 26.265 1.00 0.00 H ATOM 787 HD22 ASN A 50 93.338 101.394 28.479 1.00 0.00 H ATOM 788 HD21 ASN A 50 93.974 102.599 27.301 1.00 0.00 H ATOM 789 H ASN A 50 89.834 98.375 27.270 1.00 0.00 H ATOM 790 N ALA A 51 90.473 101.557 24.102 1.00 25.13 N ATOM 791 CA ALA A 51 90.201 101.583 22.633 1.00 27.34 C ATOM 792 C ALA A 51 88.763 101.794 22.185 1.00 25.72 C ATOM 793 O ALA A 51 88.568 102.483 21.191 1.00 29.14 O ATOM 794 CB ALA A 51 90.572 100.295 21.797 1.00 17.97 C ATOM 795 HA ALA A 51 90.851 102.436 22.437 1.00 0.00 H ATOM 796 HB1 ALA A 51 91.640 100.099 21.888 1.00 0.00 H ATOM 797 HB2 ALA A 51 90.011 99.442 22.178 1.00 0.00 H ATOM 798 HB3 ALA A 51 90.320 100.458 20.749 1.00 0.00 H ATOM 799 H ALA A 51 90.957 102.363 24.546 1.00 0.00 H ATOM 800 N LYS A 52 87.743 101.171 22.786 1.00 25.97 N ATOM 801 CA LYS A 52 86.363 101.465 22.427 1.00 26.17 C ATOM 802 C LYS A 52 85.735 102.313 23.492 1.00 24.10 C ATOM 803 O LYS A 52 84.781 103.003 23.171 1.00 29.02 O ATOM 804 CB LYS A 52 85.527 100.201 22.283 1.00 23.02 C ATOM 805 CG LYS A 52 85.318 99.697 20.867 1.00 27.30 C ATOM 806 CD LYS A 52 86.511 99.723 19.889 1.00 33.31 C ATOM 807 CE LYS A 52 86.580 100.976 18.985 1.00 35.84 C ATOM 808 NZ LYS A 52 87.690 100.908 18.054 1.00 38.46 N ATOM 809 HA LYS A 52 86.385 101.984 21.469 1.00 0.00 H ATOM 810 HB2 LYS A 52 86.018 99.410 22.849 1.00 0.00 H ATOM 811 HB3 LYS A 52 84.546 100.399 22.715 1.00 0.00 H ATOM 812 HG2 LYS A 52 84.985 98.662 20.940 1.00 0.00 H ATOM 813 HG3 LYS A 52 84.526 100.301 20.424 1.00 0.00 H ATOM 814 HD2 LYS A 52 87.430 99.675 20.473 1.00 0.00 H ATOM 815 HD3 LYS A 52 86.443 98.845 19.247 1.00 0.00 H ATOM 816 HE2 LYS A 52 86.700 101.859 19.613 1.00 0.00 H ATOM 817 HE3 LYS A 52 85.651 101.056 18.421 1.00 0.00 H ATOM 818 HZ1 LYS A 52 88.582 100.838 18.584 1.00 0.00 H ATOM 819 HZ2 LYS A 52 87.580 100.072 17.446 1.00 0.00 H ATOM 820 HZ3 LYS A 52 87.701 101.766 17.467 1.00 0.00 H ATOM 821 H LYS A 52 87.939 100.464 23.523 1.00 0.00 H ATOM 822 N GLY A 53 86.275 102.247 24.714 1.00 20.66 N ATOM 823 CA GLY A 53 85.797 102.959 25.890 1.00 20.64 C ATOM 824 C GLY A 53 84.585 102.263 26.506 1.00 23.34 C ATOM 825 O GLY A 53 84.339 101.089 26.217 1.00 22.97 O ATOM 826 HA3 GLY A 53 85.517 103.972 25.602 1.00 0.00 H ATOM 827 HA2 GLY A 53 86.597 103.001 26.630 1.00 0.00 H ATOM 828 H GLY A 53 87.107 101.635 24.834 1.00 0.00 H ATOM 829 N LEU A 54 83.795 102.962 27.354 1.00 23.78 N ATOM 830 CA LEU A 54 82.539 102.450 27.916 1.00 17.74 C ATOM 831 C LEU A 54 81.625 101.971 26.810 1.00 16.63 C ATOM 832 O LEU A 54 81.468 102.621 25.770 1.00 19.65 O ATOM 833 CB LEU A 54 81.795 103.522 28.661 1.00 12.67 C ATOM 834 CG LEU A 54 81.928 103.792 30.122 1.00 9.91 C ATOM 835 CD1 LEU A 54 83.267 103.402 30.662 1.00 13.92 C ATOM 836 CD2 LEU A 54 81.762 105.284 30.295 1.00 14.22 C ATOM 837 HA LEU A 54 82.805 101.636 28.591 1.00 0.00 H ATOM 838 HB2 LEU A 54 82.058 104.457 28.166 1.00 0.00 H ATOM 839 HB3 LEU A 54 80.738 103.311 28.498 1.00 0.00 H ATOM 840 HG LEU A 54 81.182 103.208 30.661 1.00 0.00 H ATOM 841 HD21 LEU A 54 82.536 105.802 29.729 1.00 0.00 H ATOM 842 HD22 LEU A 54 80.780 105.584 29.929 1.00 0.00 H ATOM 843 HD23 LEU A 54 81.851 105.538 31.351 1.00 0.00 H ATOM 844 HD11 LEU A 54 83.425 102.335 30.503 1.00 0.00 H ATOM 845 HD12 LEU A 54 84.044 103.966 30.146 1.00 0.00 H ATOM 846 HD13 LEU A 54 83.305 103.622 31.729 1.00 0.00 H ATOM 847 H LEU A 54 84.096 103.920 27.624 1.00 0.00 H ATOM 848 N ASN A 55 81.021 100.823 27.019 1.00 13.60 N ATOM 849 CA ASN A 55 80.124 100.317 26.019 1.00 15.89 C ATOM 850 C ASN A 55 79.096 99.446 26.678 1.00 15.54 C ATOM 851 O ASN A 55 79.129 99.286 27.885 1.00 20.45 O ATOM 852 CB ASN A 55 80.936 99.566 24.962 1.00 17.93 C ATOM 853 CG ASN A 55 81.771 98.362 25.332 1.00 15.95 C ATOM 854 OD1 ASN A 55 81.644 97.332 24.689 1.00 18.46 O ATOM 855 ND2 ASN A 55 82.664 98.380 26.303 1.00 24.56 N ATOM 856 HA ASN A 55 79.594 101.127 25.518 1.00 0.00 H ATOM 857 HB2 ASN A 55 80.226 99.231 24.206 1.00 0.00 H ATOM 858 HB3 ASN A 55 81.618 100.293 24.521 1.00 0.00 H ATOM 859 HD22 ASN A 55 82.798 99.241 26.870 1.00 0.00 H ATOM 860 HD21 ASN A 55 83.234 97.533 26.501 1.00 0.00 H ATOM 861 H ASN A 55 81.190 100.289 27.895 1.00 0.00 H ATOM 862 N VAL A 56 78.106 98.914 25.989 1.00 15.17 N ATOM 863 CA VAL A 56 77.049 98.149 26.638 1.00 14.60 C ATOM 864 C VAL A 56 76.887 96.873 25.813 1.00 17.02 C ATOM 865 O VAL A 56 76.758 96.932 24.595 1.00 18.99 O ATOM 866 CB VAL A 56 75.746 99.042 26.658 1.00 11.64 C ATOM 867 CG1 VAL A 56 74.512 98.327 27.103 1.00 9.96 C ATOM 868 CG2 VAL A 56 75.939 100.110 27.691 1.00 10.21 C ATOM 869 HA VAL A 56 77.267 97.878 27.671 1.00 0.00 H ATOM 870 HB VAL A 56 75.612 99.390 25.634 1.00 0.00 H ATOM 871 HG11 VAL A 56 74.315 97.492 26.430 1.00 0.00 H ATOM 872 HG12 VAL A 56 74.656 97.952 28.116 1.00 0.00 H ATOM 873 HG13 VAL A 56 73.668 99.016 27.086 1.00 0.00 H ATOM 874 HG21 VAL A 56 76.096 99.647 28.665 1.00 0.00 H ATOM 875 HG22 VAL A 56 76.808 100.714 27.430 1.00 0.00 H ATOM 876 HG23 VAL A 56 75.053 100.743 27.727 1.00 0.00 H ATOM 877 H VAL A 56 78.079 99.043 24.957 1.00 0.00 H ATOM 878 N LYS A 57 76.925 95.692 26.410 1.00 14.73 N ATOM 879 CA LYS A 57 76.666 94.488 25.670 1.00 14.12 C ATOM 880 C LYS A 57 75.214 94.144 25.969 1.00 15.24 C ATOM 881 O LYS A 57 74.804 94.336 27.109 1.00 20.62 O ATOM 882 CB LYS A 57 77.572 93.432 26.166 1.00 14.06 C ATOM 883 CG LYS A 57 78.995 93.865 26.248 1.00 15.07 C ATOM 884 CD LYS A 57 79.667 93.782 24.931 1.00 15.21 C ATOM 885 CE LYS A 57 81.044 94.090 25.413 1.00 15.77 C ATOM 886 NZ LYS A 57 82.006 94.024 24.352 1.00 28.36 N ATOM 887 HA LYS A 57 76.830 94.593 24.598 1.00 0.00 H ATOM 888 HB2 LYS A 57 77.243 93.134 27.161 1.00 0.00 H ATOM 889 HB3 LYS A 57 77.509 92.577 25.492 1.00 0.00 H ATOM 890 HG2 LYS A 57 79.032 94.896 26.600 1.00 0.00 H ATOM 891 HG3 LYS A 57 79.520 93.223 26.955 1.00 0.00 H ATOM 892 HD2 LYS A 57 79.592 92.790 24.486 1.00 0.00 H ATOM 893 HD3 LYS A 57 79.296 94.525 24.225 1.00 0.00 H ATOM 894 HE2 LYS A 57 81.318 93.369 26.184 1.00 0.00 H ATOM 895 HE3 LYS A 57 81.054 95.094 25.837 1.00 0.00 H ATOM 896 HZ1 LYS A 57 82.008 93.066 23.946 1.00 0.00 H ATOM 897 HZ2 LYS A 57 81.755 94.714 23.615 1.00 0.00 H ATOM 898 HZ3 LYS A 57 82.950 94.244 24.728 1.00 0.00 H ATOM 899 H LYS A 57 77.145 95.635 27.425 1.00 0.00 H ATOM 900 N HIS A 58 74.393 93.663 25.043 1.00 10.09 N ATOM 901 CA HIS A 58 73.015 93.354 25.348 1.00 14.24 C ATOM 902 C HIS A 58 72.898 91.877 25.149 1.00 18.71 C ATOM 903 O HIS A 58 73.423 91.380 24.164 1.00 21.08 O ATOM 904 CB HIS A 58 72.026 94.074 24.394 1.00 16.61 C ATOM 905 CG HIS A 58 71.945 95.588 24.592 1.00 18.99 C ATOM 906 ND1 HIS A 58 71.190 96.265 25.447 1.00 22.59 N ATOM 907 CD2 HIS A 58 72.692 96.511 23.927 1.00 19.61 C ATOM 908 CE1 HIS A 58 71.430 97.534 25.317 1.00 23.05 C ATOM 909 NE2 HIS A 58 72.350 97.663 24.414 1.00 22.25 N ATOM 910 HA HIS A 58 72.765 93.680 26.357 1.00 0.00 H ATOM 911 HB2 HIS A 58 72.340 93.881 23.368 1.00 0.00 H ATOM 912 HB3 HIS A 58 71.032 93.656 24.554 1.00 0.00 H ATOM 913 HD2 HIS A 58 73.427 96.321 23.145 1.00 0.00 H ATOM 914 HE1 HIS A 58 70.947 98.342 25.866 1.00 0.00 H ATOM 915 H HIS A 58 74.749 93.505 24.079 1.00 0.00 H ATOM 916 N TYR A 59 72.254 91.120 26.025 1.00 19.72 N ATOM 917 CA TYR A 59 72.146 89.692 25.820 1.00 19.48 C ATOM 918 C TYR A 59 70.688 89.321 25.793 1.00 22.88 C ATOM 919 O TYR A 59 69.970 89.739 26.705 1.00 25.43 O ATOM 920 CB TYR A 59 72.797 88.928 26.944 1.00 16.99 C ATOM 921 CG TYR A 59 74.306 89.069 27.052 1.00 17.52 C ATOM 922 CD1 TYR A 59 74.821 90.115 27.798 1.00 14.81 C ATOM 923 CD2 TYR A 59 75.133 88.154 26.416 1.00 13.64 C ATOM 924 CE1 TYR A 59 76.180 90.255 27.916 1.00 19.99 C ATOM 925 CE2 TYR A 59 76.489 88.302 26.538 1.00 17.09 C ATOM 926 CZ TYR A 59 76.999 89.349 27.282 1.00 18.42 C ATOM 927 OH TYR A 59 78.363 89.529 27.390 1.00 20.01 O ATOM 928 HA TYR A 59 72.644 89.441 24.884 1.00 0.00 H ATOM 929 HB3 TYR A 59 72.568 87.871 26.807 1.00 0.00 H ATOM 930 HB2 TYR A 59 72.361 89.274 27.881 1.00 0.00 H ATOM 931 HD2 TYR A 59 74.712 87.335 25.832 1.00 0.00 H ATOM 932 HE2 TYR A 59 77.163 87.597 26.051 1.00 0.00 H ATOM 933 HE1 TYR A 59 76.604 91.070 28.502 1.00 0.00 H ATOM 934 HD1 TYR A 59 74.151 90.822 28.288 1.00 0.00 H ATOM 935 HH TYR A 59 78.546 90.321 27.956 1.00 0.00 H ATOM 936 H TYR A 59 71.823 91.555 26.866 1.00 0.00 H ATOM 937 N LYS A 60 70.184 88.507 24.862 1.00 22.95 N ATOM 938 CA LYS A 60 68.750 88.246 24.882 1.00 23.48 C ATOM 939 C LYS A 60 68.465 87.064 25.750 1.00 22.63 C ATOM 940 O LYS A 60 69.122 86.044 25.622 1.00 26.58 O ATOM 941 CB LYS A 60 68.227 87.960 23.492 1.00 23.57 C ATOM 942 CG LYS A 60 66.731 87.786 23.329 1.00 26.60 C ATOM 943 CD LYS A 60 66.431 87.717 21.854 1.00 31.34 C ATOM 944 CE LYS A 60 66.853 88.986 21.121 1.00 40.87 C ATOM 945 NZ LYS A 60 66.906 88.815 19.679 1.00 45.25 N ATOM 946 HA LYS A 60 68.254 89.135 25.272 1.00 0.00 H ATOM 947 HB2 LYS A 60 68.531 88.788 22.852 1.00 0.00 H ATOM 948 HB3 LYS A 60 68.702 87.042 23.147 1.00 0.00 H ATOM 949 HG2 LYS A 60 66.410 86.865 23.816 1.00 0.00 H ATOM 950 HG3 LYS A 60 66.209 88.633 23.774 1.00 0.00 H ATOM 951 HD2 LYS A 60 66.966 86.869 21.426 1.00 0.00 H ATOM 952 HD3 LYS A 60 65.359 87.574 21.720 1.00 0.00 H ATOM 953 HE2 LYS A 60 67.842 89.279 21.473 1.00 0.00 H ATOM 954 HE3 LYS A 60 66.138 89.776 21.352 1.00 0.00 H ATOM 955 HZ1 LYS A 60 67.593 88.070 19.444 1.00 0.00 H ATOM 956 HZ2 LYS A 60 65.965 88.544 19.328 1.00 0.00 H ATOM 957 HZ3 LYS A 60 67.198 89.709 19.236 1.00 0.00 H ATOM 958 H LYS A 60 70.797 88.072 24.143 1.00 0.00 H ATOM 959 N ILE A 61 67.526 87.248 26.673 1.00 23.47 N ATOM 960 CA ILE A 61 67.042 86.166 27.527 1.00 22.84 C ATOM 961 C ILE A 61 65.793 85.577 26.861 1.00 24.01 C ATOM 962 O ILE A 61 64.723 86.187 26.851 1.00 24.21 O ATOM 963 CB ILE A 61 66.762 86.773 28.921 1.00 17.32 C ATOM 964 CG1 ILE A 61 68.085 87.333 29.417 1.00 15.53 C ATOM 965 CG2 ILE A 61 66.178 85.762 29.892 1.00 11.56 C ATOM 966 CD1 ILE A 61 67.885 88.232 30.637 1.00 17.59 C ATOM 967 HA ILE A 61 67.760 85.356 27.654 1.00 0.00 H ATOM 968 HB ILE A 61 66.006 87.555 28.848 1.00 0.00 H ATOM 969 HG12 ILE A 61 68.741 86.506 29.689 1.00 0.00 H ATOM 970 HG13 ILE A 61 68.546 87.915 28.619 1.00 0.00 H ATOM 971 HD11 ILE A 61 67.234 89.064 30.371 1.00 0.00 H ATOM 972 HD12 ILE A 61 67.429 87.655 31.441 1.00 0.00 H ATOM 973 HD13 ILE A 61 68.851 88.616 30.966 1.00 0.00 H ATOM 974 HG21 ILE A 61 65.236 85.382 29.496 1.00 0.00 H ATOM 975 HG22 ILE A 61 66.878 84.937 30.020 1.00 0.00 H ATOM 976 HG23 ILE A 61 66.002 86.244 30.854 1.00 0.00 H ATOM 977 H ILE A 61 67.121 88.198 26.792 1.00 0.00 H ATOM 978 N ARG A 62 65.948 84.410 26.228 1.00 23.63 N ATOM 979 CA ARG A 62 64.837 83.698 25.607 1.00 24.17 C ATOM 980 C ARG A 62 64.103 82.854 26.646 1.00 26.45 C ATOM 981 O ARG A 62 64.700 82.400 27.629 1.00 29.34 O ATOM 982 CB ARG A 62 65.385 82.814 24.515 1.00 27.99 C ATOM 983 CG ARG A 62 66.141 83.566 23.419 1.00 34.38 C ATOM 984 CD ARG A 62 65.041 84.015 22.483 1.00 40.27 C ATOM 985 NE ARG A 62 65.431 84.894 21.401 1.00 48.57 N ATOM 986 CZ ARG A 62 66.137 84.508 20.335 1.00 54.17 C ATOM 987 NH1 ARG A 62 66.550 83.254 20.185 1.00 58.37 N ATOM 988 NH2 ARG A 62 66.391 85.391 19.366 1.00 55.80 N ATOM 989 HA ARG A 62 64.129 84.413 25.187 1.00 0.00 H ATOM 990 HB2 ARG A 62 66.066 82.094 24.968 1.00 0.00 H ATOM 991 HB3 ARG A 62 64.552 82.284 24.054 1.00 0.00 H ATOM 992 HG2 ARG A 62 66.677 84.421 23.830 1.00 0.00 H ATOM 993 HG3 ARG A 62 66.845 82.909 22.908 1.00 0.00 H ATOM 994 HD2 ARG A 62 64.291 84.535 23.079 1.00 0.00 H ATOM 995 HD3 ARG A 62 64.597 83.123 22.041 1.00 0.00 H ATOM 996 HE ARG A 62 65.142 85.892 21.457 1.00 0.00 H ATOM 997 HH12 ARG A 62 67.098 82.984 19.343 1.00 0.00 H ATOM 998 HH11 ARG A 62 66.325 82.542 20.909 1.00 0.00 H ATOM 999 HH22 ARG A 62 66.940 85.103 18.531 1.00 0.00 H ATOM 1000 HH21 ARG A 62 66.040 86.367 19.447 1.00 0.00 H ATOM 1001 H ARG A 62 66.899 83.993 26.176 1.00 0.00 H ATOM 1002 N LYS A 63 62.798 82.621 26.523 1.00 28.56 N ATOM 1003 CA LYS A 63 62.131 81.771 27.513 1.00 30.77 C ATOM 1004 C LYS A 63 61.696 80.471 26.842 1.00 31.96 C ATOM 1005 O LYS A 63 61.483 80.445 25.633 1.00 36.51 O ATOM 1006 CB LYS A 63 60.924 82.490 28.088 1.00 29.51 C ATOM 1007 CG LYS A 63 60.480 81.818 29.362 1.00 36.89 C ATOM 1008 CD LYS A 63 59.315 82.551 30.021 1.00 41.49 C ATOM 1009 CE LYS A 63 58.738 81.728 31.178 1.00 43.34 C ATOM 1010 NZ LYS A 63 57.839 80.711 30.659 1.00 48.22 N ATOM 1011 HA LYS A 63 62.821 81.548 28.326 1.00 0.00 H ATOM 1012 HB2 LYS A 63 61.188 83.526 28.300 1.00 0.00 H ATOM 1013 HB3 LYS A 63 60.110 82.464 27.364 1.00 0.00 H ATOM 1014 HG2 LYS A 63 60.170 80.799 29.132 1.00 0.00 H ATOM 1015 HG3 LYS A 63 61.319 81.793 30.058 1.00 0.00 H ATOM 1016 HD2 LYS A 63 59.666 83.509 30.404 1.00 0.00 H ATOM 1017 HD3 LYS A 63 58.535 82.722 29.279 1.00 0.00 H ATOM 1018 HE2 LYS A 63 58.190 82.386 31.852 1.00 0.00 H ATOM 1019 HE3 LYS A 63 59.552 81.248 31.722 1.00 0.00 H ATOM 1020 HZ1 LYS A 63 57.062 81.169 30.141 1.00 0.00 H ATOM 1021 HZ2 LYS A 63 58.362 80.082 30.017 1.00 0.00 H ATOM 1022 HZ3 LYS A 63 57.451 80.157 31.449 1.00 0.00 H ATOM 1023 H LYS A 63 62.260 83.036 25.736 1.00 0.00 H ATOM 1024 N LEU A 64 61.631 79.343 27.540 1.00 30.46 N ATOM 1025 CA LEU A 64 61.193 78.092 26.950 1.00 29.03 C ATOM 1026 C LEU A 64 59.822 77.849 27.492 1.00 30.07 C ATOM 1027 O LEU A 64 59.443 78.351 28.554 1.00 31.17 O ATOM 1028 CB LEU A 64 62.047 76.874 27.343 1.00 25.04 C ATOM 1029 CG LEU A 64 63.381 76.502 26.653 1.00 22.06 C ATOM 1030 CD1 LEU A 64 63.511 77.255 25.351 1.00 22.92 C ATOM 1031 CD2 LEU A 64 64.540 76.780 27.595 1.00 23.54 C ATOM 1032 HA LEU A 64 61.257 78.189 25.866 1.00 0.00 H ATOM 1033 HB2 LEU A 64 62.285 77.006 28.398 1.00 0.00 H ATOM 1034 HB3 LEU A 64 61.399 76.006 27.224 1.00 0.00 H ATOM 1035 HG LEU A 64 63.396 75.438 26.418 1.00 0.00 H ATOM 1036 HD21 LEU A 64 64.550 77.839 27.855 1.00 0.00 H ATOM 1037 HD22 LEU A 64 64.422 76.184 28.500 1.00 0.00 H ATOM 1038 HD23 LEU A 64 65.477 76.516 27.104 1.00 0.00 H ATOM 1039 HD11 LEU A 64 62.680 76.992 24.696 1.00 0.00 H ATOM 1040 HD12 LEU A 64 63.494 78.327 25.549 1.00 0.00 H ATOM 1041 HD13 LEU A 64 64.452 76.988 24.871 1.00 0.00 H ATOM 1042 H LEU A 64 61.903 79.357 28.544 1.00 0.00 H ATOM 1043 N ASP A 65 59.089 77.054 26.725 1.00 32.13 N ATOM 1044 CA ASP A 65 57.746 76.691 27.117 1.00 32.25 C ATOM 1045 C ASP A 65 57.782 75.785 28.343 1.00 34.72 C ATOM 1046 O ASP A 65 56.803 75.713 29.087 1.00 37.29 O ATOM 1047 CB ASP A 65 57.074 76.029 25.916 1.00 28.95 C ATOM 1048 CG ASP A 65 56.828 77.044 24.804 1.00 26.68 C ATOM 1049 OD1 ASP A 65 56.142 78.032 25.027 1.00 33.35 O ATOM 1050 OD2 ASP A 65 57.317 76.890 23.694 1.00 30.68 O ATOM 1051 HA ASP A 65 57.166 77.569 27.404 1.00 0.00 H ATOM 1052 HB2 ASP A 65 57.718 75.235 25.539 1.00 0.00 H ATOM 1053 HB3 ASP A 65 56.120 75.604 26.229 1.00 0.00 H ATOM 1054 H ASP A 65 59.483 76.689 25.835 1.00 0.00 H ATOM 1055 N SER A 66 58.917 75.136 28.655 1.00 36.08 N ATOM 1056 CA SER A 66 59.037 74.395 29.902 1.00 35.33 C ATOM 1057 C SER A 66 59.095 75.372 31.086 1.00 36.65 C ATOM 1058 O SER A 66 59.110 74.981 32.247 1.00 39.08 O ATOM 1059 CB SER A 66 60.284 73.549 29.813 1.00 33.39 C ATOM 1060 OG SER A 66 61.411 74.387 29.591 1.00 37.11 O ATOM 1061 HA SER A 66 58.174 73.749 30.062 1.00 0.00 H ATOM 1062 HB2 SER A 66 60.187 72.844 28.987 1.00 0.00 H ATOM 1063 HB3 SER A 66 60.418 72.999 30.745 1.00 0.00 H ATOM 1064 HG SER A 66 62.228 73.831 29.533 1.00 0.00 H ATOM 1065 H SER A 66 59.721 75.164 27.996 1.00 0.00 H ATOM 1066 N GLY A 67 59.166 76.680 30.815 1.00 42.53 N ATOM 1067 CA GLY A 67 59.092 77.753 31.813 1.00 45.53 C ATOM 1068 C GLY A 67 60.412 78.184 32.444 1.00 45.14 C ATOM 1069 O GLY A 67 60.489 78.474 33.647 1.00 47.94 O ATOM 1070 HA3 GLY A 67 58.435 77.416 32.615 1.00 0.00 H ATOM 1071 HA2 GLY A 67 58.654 78.626 31.330 1.00 0.00 H ATOM 1072 H GLY A 67 59.283 76.958 29.820 1.00 0.00 H ATOM 1073 N GLY A 68 61.430 78.243 31.592 1.00 40.45 N ATOM 1074 CA GLY A 68 62.767 78.534 32.041 1.00 36.55 C ATOM 1075 C GLY A 68 63.388 79.563 31.136 1.00 35.23 C ATOM 1076 O GLY A 68 63.041 79.678 29.967 1.00 35.72 O ATOM 1077 HA3 GLY A 68 63.364 77.623 32.019 1.00 0.00 H ATOM 1078 HA2 GLY A 68 62.732 78.920 33.060 1.00 0.00 H ATOM 1079 H GLY A 68 61.258 78.076 30.580 1.00 0.00 H ATOM 1080 N PHE A 69 64.322 80.332 31.663 1.00 32.18 N ATOM 1081 CA PHE A 69 64.951 81.390 30.919 1.00 28.98 C ATOM 1082 C PHE A 69 66.381 80.980 30.692 1.00 27.13 C ATOM 1083 O PHE A 69 66.948 80.218 31.477 1.00 27.13 O ATOM 1084 CB PHE A 69 64.900 82.670 31.718 1.00 28.26 C ATOM 1085 CG PHE A 69 63.516 83.227 32.036 1.00 26.50 C ATOM 1086 CD1 PHE A 69 62.839 82.825 33.162 1.00 29.58 C ATOM 1087 CD2 PHE A 69 62.937 84.161 31.210 1.00 26.87 C ATOM 1088 CE1 PHE A 69 61.597 83.370 33.446 1.00 30.38 C ATOM 1089 CE2 PHE A 69 61.702 84.696 31.502 1.00 24.62 C ATOM 1090 CZ PHE A 69 61.027 84.304 32.619 1.00 24.28 C ATOM 1091 HA PHE A 69 64.443 81.560 29.970 1.00 0.00 H ATOM 1092 HB2 PHE A 69 65.408 82.489 32.665 1.00 0.00 H ATOM 1093 HB3 PHE A 69 65.441 83.431 31.157 1.00 0.00 H ATOM 1094 HD2 PHE A 69 63.463 84.483 30.311 1.00 0.00 H ATOM 1095 HE2 PHE A 69 61.262 85.438 30.835 1.00 0.00 H ATOM 1096 HZ PHE A 69 60.049 84.726 32.852 1.00 0.00 H ATOM 1097 HE1 PHE A 69 61.064 83.051 34.342 1.00 0.00 H ATOM 1098 HD1 PHE A 69 63.276 82.081 33.828 1.00 0.00 H ATOM 1099 H PHE A 69 64.613 80.168 32.648 1.00 0.00 H ATOM 1100 N TYR A 70 66.943 81.479 29.591 1.00 24.62 N ATOM 1101 CA TYR A 70 68.352 81.269 29.291 1.00 22.32 C ATOM 1102 C TYR A 70 68.950 82.292 28.335 1.00 19.89 C ATOM 1103 O TYR A 70 68.256 82.889 27.517 1.00 18.49 O ATOM 1104 CB TYR A 70 68.568 79.876 28.685 1.00 21.68 C ATOM 1105 CG TYR A 70 68.025 79.681 27.282 1.00 26.79 C ATOM 1106 CD1 TYR A 70 66.660 79.621 27.060 1.00 30.39 C ATOM 1107 CD2 TYR A 70 68.912 79.564 26.235 1.00 27.94 C ATOM 1108 CE1 TYR A 70 66.191 79.444 25.780 1.00 33.99 C ATOM 1109 CE2 TYR A 70 68.452 79.385 24.952 1.00 32.21 C ATOM 1110 CZ TYR A 70 67.093 79.325 24.738 1.00 36.42 C ATOM 1111 OH TYR A 70 66.627 79.135 23.450 1.00 45.39 O ATOM 1112 HA TYR A 70 68.861 81.377 30.249 1.00 0.00 H ATOM 1113 HB3 TYR A 70 68.085 79.148 29.336 1.00 0.00 H ATOM 1114 HB2 TYR A 70 69.641 79.683 28.660 1.00 0.00 H ATOM 1115 HD2 TYR A 70 69.984 79.614 26.425 1.00 0.00 H ATOM 1116 HE2 TYR A 70 69.150 79.292 24.120 1.00 0.00 H ATOM 1117 HE1 TYR A 70 65.119 79.398 25.588 1.00 0.00 H ATOM 1118 HD1 TYR A 70 65.963 79.713 27.893 1.00 0.00 H ATOM 1119 HH TYR A 70 65.637 79.114 23.458 1.00 0.00 H ATOM 1120 H TYR A 70 66.361 82.032 28.930 1.00 0.00 H ATOM 1121 N ILE A 71 70.261 82.486 28.422 1.00 17.99 N ATOM 1122 CA ILE A 71 70.967 83.280 27.435 1.00 17.76 C ATOM 1123 C ILE A 71 71.697 82.272 26.529 1.00 22.74 C ATOM 1124 O ILE A 71 71.775 82.445 25.310 1.00 21.05 O ATOM 1125 CB ILE A 71 71.976 84.242 28.146 1.00 12.70 C ATOM 1126 CG1 ILE A 71 71.236 85.218 29.008 1.00 5.36 C ATOM 1127 CG2 ILE A 71 72.753 85.075 27.125 1.00 13.07 C ATOM 1128 CD1 ILE A 71 72.179 86.128 29.785 1.00 6.63 C ATOM 1129 HA ILE A 71 70.292 83.907 26.852 1.00 0.00 H ATOM 1130 HB ILE A 71 72.652 83.619 28.731 1.00 0.00 H ATOM 1131 HG12 ILE A 71 70.597 85.833 28.374 1.00 0.00 H ATOM 1132 HG13 ILE A 71 70.619 84.665 29.716 1.00 0.00 H ATOM 1133 HD11 ILE A 71 72.818 85.523 30.428 1.00 0.00 H ATOM 1134 HD12 ILE A 71 72.796 86.692 29.086 1.00 0.00 H ATOM 1135 HD13 ILE A 71 71.596 86.818 30.395 1.00 0.00 H ATOM 1136 HG21 ILE A 71 73.310 84.411 26.464 1.00 0.00 H ATOM 1137 HG22 ILE A 71 72.055 85.672 26.538 1.00 0.00 H ATOM 1138 HG23 ILE A 71 73.446 85.734 27.648 1.00 0.00 H ATOM 1139 H ILE A 71 70.790 82.062 29.211 1.00 0.00 H ATOM 1140 N THR A 72 72.205 81.174 27.134 1.00 28.92 N ATOM 1141 CA THR A 72 72.990 80.180 26.429 1.00 31.57 C ATOM 1142 C THR A 72 72.394 78.786 26.307 1.00 32.64 C ATOM 1143 O THR A 72 72.761 78.222 25.290 1.00 42.21 O ATOM 1144 CB THR A 72 74.460 80.203 27.099 1.00 30.59 C ATOM 1145 OG1 THR A 72 75.124 79.031 26.719 1.00 37.20 O ATOM 1146 CG2 THR A 72 74.488 80.235 28.596 1.00 37.58 C ATOM 1147 HA THR A 72 73.020 80.458 25.375 1.00 0.00 H ATOM 1148 HB THR A 72 74.923 81.126 26.751 1.00 0.00 H ATOM 1149 HG1 THR A 72 74.613 78.245 27.039 1.00 0.00 H ATOM 1150 HG23 THR A 72 73.981 81.133 28.948 1.00 0.00 H ATOM 1151 HG21 THR A 72 73.981 79.353 28.987 1.00 0.00 H ATOM 1152 HG22 THR A 72 75.523 80.242 28.939 1.00 0.00 H ATOM 1153 H THR A 72 72.025 81.037 28.149 1.00 0.00 H ATOM 1154 N SER A 73 71.547 78.127 27.107 1.00 32.08 N ATOM 1155 CA SER A 73 70.902 76.778 26.858 1.00 33.82 C ATOM 1156 C SER A 73 71.524 75.662 27.641 1.00 34.47 C ATOM 1157 O SER A 73 70.866 74.677 28.009 1.00 34.54 O ATOM 1158 CB SER A 73 70.977 76.070 25.522 1.00 28.15 C ATOM 1159 OG SER A 73 70.320 76.788 24.529 1.00 39.02 O ATOM 1160 HA SER A 73 69.898 77.142 27.079 1.00 0.00 H ATOM 1161 HB2 SER A 73 70.514 75.088 25.615 1.00 0.00 H ATOM 1162 HB3 SER A 73 72.024 75.952 25.241 1.00 0.00 H ATOM 1163 HG SER A 73 70.739 77.680 24.436 1.00 0.00 H ATOM 1164 H SER A 73 71.303 78.595 28.003 1.00 0.00 H ATOM 1165 N ARG A 74 72.841 75.825 27.776 1.00 33.28 N ATOM 1166 CA ARG A 74 73.601 74.966 28.625 1.00 34.96 C ATOM 1167 C ARG A 74 73.117 75.413 30.000 1.00 35.41 C ATOM 1168 O ARG A 74 72.719 74.559 30.785 1.00 40.61 O ATOM 1169 CB ARG A 74 75.096 75.218 28.531 1.00 39.29 C ATOM 1170 CG ARG A 74 75.697 75.673 27.210 1.00 44.79 C ATOM 1171 CD ARG A 74 77.088 76.247 27.551 1.00 56.79 C ATOM 1172 NE ARG A 74 77.138 77.119 28.733 1.00 60.35 N ATOM 1173 CZ ARG A 74 78.184 77.901 29.034 1.00 64.79 C ATOM 1174 NH1 ARG A 74 79.286 77.977 28.282 1.00 67.90 N ATOM 1175 NH2 ARG A 74 78.139 78.619 30.149 1.00 66.03 N ATOM 1176 HA ARG A 74 73.468 73.912 28.382 1.00 0.00 H ATOM 1177 HB2 ARG A 74 75.336 75.983 29.269 1.00 0.00 H ATOM 1178 HB3 ARG A 74 75.593 74.286 28.801 1.00 0.00 H ATOM 1179 HG2 ARG A 74 75.792 74.829 26.526 1.00 0.00 H ATOM 1180 HG3 ARG A 74 75.072 76.440 26.753 1.00 0.00 H ATOM 1181 HD2 ARG A 74 77.434 76.823 26.693 1.00 0.00 H ATOM 1182 HD3 ARG A 74 77.765 75.410 27.722 1.00 0.00 H ATOM 1183 HE ARG A 74 76.317 77.130 29.371 1.00 0.00 H ATOM 1184 HH12 ARG A 74 80.067 78.602 28.566 1.00 0.00 H ATOM 1185 HH11 ARG A 74 79.363 77.411 27.413 1.00 0.00 H ATOM 1186 HH22 ARG A 74 78.938 79.233 30.404 1.00 0.00 H ATOM 1187 HH21 ARG A 74 77.304 78.567 30.767 1.00 0.00 H ATOM 1188 H ARG A 74 73.320 76.588 27.256 1.00 0.00 H ATOM 1189 N THR A 75 73.075 76.712 30.340 1.00 34.23 N ATOM 1190 CA THR A 75 72.656 77.119 31.680 1.00 34.27 C ATOM 1191 C THR A 75 71.240 77.633 31.595 1.00 35.31 C ATOM 1192 O THR A 75 71.026 78.612 30.866 1.00 39.76 O ATOM 1193 CB THR A 75 73.484 78.269 32.264 1.00 34.00 C ATOM 1194 OG1 THR A 75 74.759 78.236 31.643 1.00 40.01 O ATOM 1195 CG2 THR A 75 73.637 78.156 33.758 1.00 30.30 C ATOM 1196 HA THR A 75 72.776 76.243 32.318 1.00 0.00 H ATOM 1197 HB THR A 75 72.973 79.212 32.072 1.00 0.00 H ATOM 1198 HG1 THR A 75 75.318 78.970 32.001 1.00 0.00 H ATOM 1199 HG23 THR A 75 72.653 78.182 34.226 1.00 0.00 H ATOM 1200 HG21 THR A 75 74.131 77.215 34.001 1.00 0.00 H ATOM 1201 HG22 THR A 75 74.237 78.989 34.125 1.00 0.00 H ATOM 1202 H THR A 75 73.343 77.435 29.643 1.00 0.00 H ATOM 1203 N GLN A 76 70.271 77.003 32.295 1.00 32.10 N ATOM 1204 CA GLN A 76 68.901 77.522 32.298 1.00 26.93 C ATOM 1205 C GLN A 76 68.477 77.792 33.728 1.00 26.53 C ATOM 1206 O GLN A 76 69.005 77.184 34.667 1.00 27.30 O ATOM 1207 CB GLN A 76 67.944 76.541 31.683 1.00 25.23 C ATOM 1208 CG GLN A 76 68.278 76.371 30.234 1.00 25.21 C ATOM 1209 CD GLN A 76 67.523 75.272 29.537 1.00 27.79 C ATOM 1210 OE1 GLN A 76 66.492 74.805 30.004 1.00 28.08 O ATOM 1211 NE2 GLN A 76 68.030 74.848 28.381 1.00 30.57 N ATOM 1212 HA GLN A 76 68.881 78.439 31.710 1.00 0.00 H ATOM 1213 HB2 GLN A 76 68.028 75.581 32.192 1.00 0.00 H ATOM 1214 HB3 GLN A 76 66.925 76.915 31.781 1.00 0.00 H ATOM 1215 HG2 GLN A 76 68.060 77.309 29.723 1.00 0.00 H ATOM 1216 HG3 GLN A 76 69.343 76.154 30.154 1.00 0.00 H ATOM 1217 HE22 GLN A 76 68.908 75.267 28.013 1.00 0.00 H ATOM 1218 HE21 GLN A 76 67.548 74.098 27.846 1.00 0.00 H ATOM 1219 H GLN A 76 70.499 76.144 32.835 1.00 0.00 H ATOM 1220 N PHE A 77 67.562 78.757 33.901 1.00 25.14 N ATOM 1221 CA PHE A 77 67.175 79.250 35.224 1.00 26.01 C ATOM 1222 C PHE A 77 65.675 79.273 35.238 1.00 27.97 C ATOM 1223 O PHE A 77 65.060 79.582 34.227 1.00 32.39 O ATOM 1224 CB PHE A 77 67.686 80.700 35.487 1.00 24.49 C ATOM 1225 CG PHE A 77 69.162 80.803 35.118 1.00 23.42 C ATOM 1226 CD1 PHE A 77 70.140 80.418 36.027 1.00 19.29 C ATOM 1227 CD2 PHE A 77 69.509 81.245 33.850 1.00 16.66 C ATOM 1228 CE1 PHE A 77 71.463 80.475 35.655 1.00 13.43 C ATOM 1229 CE2 PHE A 77 70.833 81.295 33.495 1.00 15.41 C ATOM 1230 CZ PHE A 77 71.801 80.911 34.399 1.00 16.24 C ATOM 1231 HA PHE A 77 67.606 78.607 35.991 1.00 0.00 H ATOM 1232 HB2 PHE A 77 67.112 81.402 34.882 1.00 0.00 H ATOM 1233 HB3 PHE A 77 67.559 80.943 36.542 1.00 0.00 H ATOM 1234 HD2 PHE A 77 68.737 81.550 33.143 1.00 0.00 H ATOM 1235 HE2 PHE A 77 71.119 81.637 32.501 1.00 0.00 H ATOM 1236 HZ PHE A 77 72.851 80.955 34.111 1.00 0.00 H ATOM 1237 HE1 PHE A 77 72.241 80.174 36.357 1.00 0.00 H ATOM 1238 HD1 PHE A 77 69.862 80.075 37.023 1.00 0.00 H ATOM 1239 H PHE A 77 67.109 79.172 33.062 1.00 0.00 H ATOM 1240 N SER A 78 65.022 78.987 36.343 1.00 29.18 N ATOM 1241 CA SER A 78 63.560 79.014 36.386 1.00 29.68 C ATOM 1242 C SER A 78 62.935 80.373 36.647 1.00 32.15 C ATOM 1243 O SER A 78 61.723 80.567 36.637 1.00 35.16 O ATOM 1244 CB SER A 78 63.133 78.069 37.445 1.00 30.99 C ATOM 1245 OG SER A 78 63.955 78.242 38.590 1.00 30.89 O ATOM 1246 HA SER A 78 63.212 78.737 35.391 1.00 0.00 H ATOM 1247 HB2 SER A 78 63.228 77.046 37.080 1.00 0.00 H ATOM 1248 HB3 SER A 78 62.094 78.264 37.710 1.00 0.00 H ATOM 1249 HG SER A 78 64.898 78.064 38.348 1.00 0.00 H ATOM 1250 H SER A 78 65.554 78.737 37.201 1.00 0.00 H ATOM 1251 N SER A 79 63.834 81.337 36.792 1.00 31.05 N ATOM 1252 CA SER A 79 63.546 82.618 37.389 1.00 23.94 C ATOM 1253 C SER A 79 64.541 83.632 36.850 1.00 21.71 C ATOM 1254 O SER A 79 65.711 83.301 36.728 1.00 24.03 O ATOM 1255 CB SER A 79 63.683 82.339 38.847 1.00 22.71 C ATOM 1256 OG SER A 79 63.355 83.358 39.748 1.00 27.04 O ATOM 1257 HA SER A 79 62.565 83.041 37.172 1.00 0.00 H ATOM 1258 HB2 SER A 79 64.723 82.069 39.028 1.00 0.00 H ATOM 1259 HB3 SER A 79 63.043 81.487 39.075 1.00 0.00 H ATOM 1260 HG SER A 79 63.492 83.035 40.674 1.00 0.00 H ATOM 1261 H SER A 79 64.802 81.159 36.456 1.00 0.00 H ATOM 1262 N LEU A 80 64.154 84.843 36.448 1.00 19.07 N ATOM 1263 CA LEU A 80 65.120 85.835 36.057 1.00 16.48 C ATOM 1264 C LEU A 80 65.836 86.260 37.343 1.00 18.96 C ATOM 1265 O LEU A 80 67.020 86.600 37.265 1.00 19.55 O ATOM 1266 CB LEU A 80 64.489 87.056 35.479 1.00 14.20 C ATOM 1267 CG LEU A 80 63.717 87.076 34.203 1.00 16.38 C ATOM 1268 CD1 LEU A 80 63.112 88.450 34.102 1.00 11.38 C ATOM 1269 CD2 LEU A 80 64.586 86.812 32.993 1.00 19.49 C ATOM 1270 HA LEU A 80 65.777 85.409 35.299 1.00 0.00 H ATOM 1271 HB2 LEU A 80 63.805 87.424 36.243 1.00 0.00 H ATOM 1272 HB3 LEU A 80 65.300 87.771 35.344 1.00 0.00 H ATOM 1273 HG LEU A 80 62.966 86.286 34.215 1.00 0.00 H ATOM 1274 HD21 LEU A 80 65.360 87.577 32.929 1.00 0.00 H ATOM 1275 HD22 LEU A 80 65.051 85.831 33.088 1.00 0.00 H ATOM 1276 HD23 LEU A 80 63.971 86.838 32.093 1.00 0.00 H ATOM 1277 HD11 LEU A 80 62.460 88.623 34.959 1.00 0.00 H ATOM 1278 HD12 LEU A 80 63.907 89.196 34.092 1.00 0.00 H ATOM 1279 HD13 LEU A 80 62.532 88.523 33.182 1.00 0.00 H ATOM 1280 H LEU A 80 63.140 85.074 36.417 1.00 0.00 H ATOM 1281 N GLN A 81 65.234 86.277 38.546 1.00 17.59 N ATOM 1282 CA GLN A 81 66.066 86.632 39.681 1.00 22.01 C ATOM 1283 C GLN A 81 67.127 85.600 39.925 1.00 21.66 C ATOM 1284 O GLN A 81 68.178 85.981 40.406 1.00 24.38 O ATOM 1285 CB GLN A 81 65.305 86.820 41.021 1.00 18.62 C ATOM 1286 CG GLN A 81 64.093 86.048 41.414 1.00 26.23 C ATOM 1287 CD GLN A 81 62.772 86.404 40.728 1.00 30.00 C ATOM 1288 OE1 GLN A 81 62.682 87.076 39.702 1.00 29.85 O ATOM 1289 NE2 GLN A 81 61.696 85.882 41.308 1.00 31.77 N ATOM 1290 HA GLN A 81 66.488 87.594 39.392 1.00 0.00 H ATOM 1291 HB2 GLN A 81 66.039 86.634 41.805 1.00 0.00 H ATOM 1292 HB3 GLN A 81 65.007 87.868 41.045 1.00 0.00 H ATOM 1293 HG2 GLN A 81 64.295 84.997 41.208 1.00 0.00 H ATOM 1294 HG3 GLN A 81 63.952 86.186 42.486 1.00 0.00 H ATOM 1295 HE22 GLN A 81 61.795 85.317 42.175 1.00 0.00 H ATOM 1296 HE21 GLN A 81 60.755 86.039 40.894 1.00 0.00 H ATOM 1297 H GLN A 81 64.226 86.048 38.657 1.00 0.00 H ATOM 1298 N GLN A 82 66.940 84.353 39.485 1.00 24.10 N ATOM 1299 CA GLN A 82 67.931 83.304 39.681 1.00 26.01 C ATOM 1300 C GLN A 82 69.123 83.541 38.768 1.00 24.71 C ATOM 1301 O GLN A 82 70.269 83.463 39.210 1.00 26.23 O ATOM 1302 CB GLN A 82 67.308 81.957 39.374 1.00 33.58 C ATOM 1303 CG GLN A 82 68.119 80.794 39.931 1.00 48.10 C ATOM 1304 CD GLN A 82 67.693 79.397 39.473 1.00 52.58 C ATOM 1305 OE1 GLN A 82 66.516 79.105 39.247 1.00 57.28 O ATOM 1306 NE2 GLN A 82 68.664 78.484 39.348 1.00 54.80 N ATOM 1307 HA GLN A 82 68.270 83.318 40.717 1.00 0.00 H ATOM 1308 HB2 GLN A 82 66.309 81.927 39.810 1.00 0.00 H ATOM 1309 HB3 GLN A 82 67.234 81.845 38.292 1.00 0.00 H ATOM 1310 HG2 GLN A 82 69.158 80.940 39.635 1.00 0.00 H ATOM 1311 HG3 GLN A 82 68.045 80.826 41.018 1.00 0.00 H ATOM 1312 HE22 GLN A 82 69.652 78.745 39.542 1.00 0.00 H ATOM 1313 HE21 GLN A 82 68.431 77.513 39.057 1.00 0.00 H ATOM 1314 H GLN A 82 66.057 84.123 38.986 1.00 0.00 H ATOM 1315 N LEU A 83 68.801 83.858 37.503 1.00 21.52 N ATOM 1316 CA LEU A 83 69.737 84.241 36.443 1.00 18.83 C ATOM 1317 C LEU A 83 70.658 85.395 36.853 1.00 20.48 C ATOM 1318 O LEU A 83 71.875 85.349 36.672 1.00 23.18 O ATOM 1319 CB LEU A 83 68.903 84.606 35.208 1.00 7.93 C ATOM 1320 CG LEU A 83 69.585 84.915 33.911 1.00 7.97 C ATOM 1321 CD1 LEU A 83 68.682 84.476 32.793 1.00 5.17 C ATOM 1322 CD2 LEU A 83 69.909 86.392 33.816 1.00 5.48 C ATOM 1323 HA LEU A 83 70.403 83.405 36.230 1.00 0.00 H ATOM 1324 HB2 LEU A 83 68.234 83.767 35.020 1.00 0.00 H ATOM 1325 HB3 LEU A 83 68.316 85.485 35.473 1.00 0.00 H ATOM 1326 HG LEU A 83 70.532 84.379 33.844 1.00 0.00 H ATOM 1327 HD21 LEU A 83 68.987 86.970 33.876 1.00 0.00 H ATOM 1328 HD22 LEU A 83 70.569 86.672 34.637 1.00 0.00 H ATOM 1329 HD23 LEU A 83 70.404 86.594 32.866 1.00 0.00 H ATOM 1330 HD11 LEU A 83 68.498 83.405 32.876 1.00 0.00 H ATOM 1331 HD12 LEU A 83 67.737 85.014 32.859 1.00 0.00 H ATOM 1332 HD13 LEU A 83 69.159 84.691 31.837 1.00 0.00 H ATOM 1333 H LEU A 83 67.792 83.829 37.252 1.00 0.00 H ATOM 1334 N VAL A 84 70.064 86.460 37.398 1.00 20.51 N ATOM 1335 CA VAL A 84 70.810 87.576 37.914 1.00 15.94 C ATOM 1336 C VAL A 84 71.709 87.063 39.006 1.00 12.78 C ATOM 1337 O VAL A 84 72.904 87.235 38.842 1.00 17.18 O ATOM 1338 CB VAL A 84 69.818 88.632 38.413 1.00 15.76 C ATOM 1339 CG1 VAL A 84 70.451 89.684 39.312 1.00 14.31 C ATOM 1340 CG2 VAL A 84 69.283 89.309 37.156 1.00 16.63 C ATOM 1341 HA VAL A 84 71.434 88.046 37.154 1.00 0.00 H ATOM 1342 HB VAL A 84 69.049 88.150 39.017 1.00 0.00 H ATOM 1343 HG11 VAL A 84 70.881 89.200 40.189 1.00 0.00 H ATOM 1344 HG12 VAL A 84 71.235 90.206 38.763 1.00 0.00 H ATOM 1345 HG13 VAL A 84 69.689 90.397 39.626 1.00 0.00 H ATOM 1346 HG21 VAL A 84 70.110 89.763 36.610 1.00 0.00 H ATOM 1347 HG22 VAL A 84 68.793 88.567 36.525 1.00 0.00 H ATOM 1348 HG23 VAL A 84 68.565 90.079 37.437 1.00 0.00 H ATOM 1349 H VAL A 84 69.026 86.483 37.451 1.00 0.00 H ATOM 1350 N ALA A 85 71.230 86.385 40.037 1.00 11.19 N ATOM 1351 CA ALA A 85 72.073 85.840 41.086 1.00 12.62 C ATOM 1352 C ALA A 85 73.261 85.024 40.609 1.00 13.85 C ATOM 1353 O ALA A 85 74.378 85.195 41.098 1.00 17.85 O ATOM 1354 CB ALA A 85 71.286 84.944 41.984 1.00 10.64 C ATOM 1355 HA ALA A 85 72.452 86.728 41.593 1.00 0.00 H ATOM 1356 HB1 ALA A 85 70.476 85.511 42.442 1.00 0.00 H ATOM 1357 HB2 ALA A 85 70.871 84.121 41.402 1.00 0.00 H ATOM 1358 HB3 ALA A 85 71.938 84.548 42.762 1.00 0.00 H ATOM 1359 H ALA A 85 70.203 86.236 40.098 1.00 0.00 H ATOM 1360 N TYR A 86 73.040 84.200 39.587 1.00 14.88 N ATOM 1361 CA TYR A 86 74.059 83.321 39.022 1.00 14.63 C ATOM 1362 C TYR A 86 75.135 84.134 38.350 1.00 15.58 C ATOM 1363 O TYR A 86 76.298 83.983 38.690 1.00 20.33 O ATOM 1364 CB TYR A 86 73.425 82.400 38.009 1.00 13.07 C ATOM 1365 CG TYR A 86 74.350 81.397 37.383 1.00 13.90 C ATOM 1366 CD1 TYR A 86 74.501 80.177 37.957 1.00 17.16 C ATOM 1367 CD2 TYR A 86 75.015 81.688 36.226 1.00 19.08 C ATOM 1368 CE1 TYR A 86 75.314 79.251 37.367 1.00 17.36 C ATOM 1369 CE2 TYR A 86 75.834 80.764 35.626 1.00 15.99 C ATOM 1370 CZ TYR A 86 75.966 79.550 36.210 1.00 17.28 C ATOM 1371 OH TYR A 86 76.741 78.595 35.604 1.00 26.56 O ATOM 1372 HA TYR A 86 74.504 82.736 39.826 1.00 0.00 H ATOM 1373 HB3 TYR A 86 73.005 83.014 37.212 1.00 0.00 H ATOM 1374 HB2 TYR A 86 72.623 81.854 38.506 1.00 0.00 H ATOM 1375 HD2 TYR A 86 74.893 82.671 35.771 1.00 0.00 H ATOM 1376 HE2 TYR A 86 76.364 81.002 34.704 1.00 0.00 H ATOM 1377 HE1 TYR A 86 75.441 78.270 37.824 1.00 0.00 H ATOM 1378 HD1 TYR A 86 73.977 79.937 38.882 1.00 0.00 H ATOM 1379 HH TYR A 86 77.669 78.930 35.519 1.00 0.00 H ATOM 1380 H TYR A 86 72.088 84.182 39.168 1.00 0.00 H ATOM 1381 N TYR A 87 74.777 84.979 37.382 1.00 16.60 N ATOM 1382 CA TYR A 87 75.724 85.867 36.709 1.00 15.09 C ATOM 1383 C TYR A 87 76.395 86.929 37.580 1.00 13.75 C ATOM 1384 O TYR A 87 77.270 87.649 37.128 1.00 11.78 O ATOM 1385 CB TYR A 87 75.001 86.532 35.550 1.00 11.35 C ATOM 1386 CG TYR A 87 74.816 85.482 34.494 1.00 10.45 C ATOM 1387 CD1 TYR A 87 75.944 84.896 33.966 1.00 11.95 C ATOM 1388 CD2 TYR A 87 73.555 85.107 34.067 1.00 14.15 C ATOM 1389 CE1 TYR A 87 75.826 83.927 33.007 1.00 10.84 C ATOM 1390 CE2 TYR A 87 73.431 84.122 33.096 1.00 10.84 C ATOM 1391 CZ TYR A 87 74.573 83.555 32.588 1.00 9.72 C ATOM 1392 OH TYR A 87 74.488 82.588 31.624 1.00 20.71 O ATOM 1393 HA TYR A 87 76.550 85.233 36.387 1.00 0.00 H ATOM 1394 HB3 TYR A 87 75.597 87.357 35.159 1.00 0.00 H ATOM 1395 HB2 TYR A 87 74.032 86.909 35.878 1.00 0.00 H ATOM 1396 HD2 TYR A 87 72.668 85.580 34.488 1.00 0.00 H ATOM 1397 HE2 TYR A 87 72.449 83.806 32.745 1.00 0.00 H ATOM 1398 HE1 TYR A 87 76.713 83.458 32.582 1.00 0.00 H ATOM 1399 HD1 TYR A 87 76.931 85.204 34.312 1.00 0.00 H ATOM 1400 HH TYR A 87 75.399 82.292 31.374 1.00 0.00 H ATOM 1401 H TYR A 87 73.778 85.008 37.093 1.00 0.00 H ATOM 1402 N SER A 88 75.979 87.037 38.832 1.00 12.08 N ATOM 1403 CA SER A 88 76.614 87.901 39.788 1.00 15.32 C ATOM 1404 C SER A 88 77.719 87.125 40.444 1.00 17.94 C ATOM 1405 O SER A 88 78.679 87.728 40.924 1.00 25.11 O ATOM 1406 CB SER A 88 75.713 88.325 40.918 1.00 15.54 C ATOM 1407 OG SER A 88 74.643 89.102 40.452 1.00 26.34 O ATOM 1408 HA SER A 88 76.935 88.785 39.237 1.00 0.00 H ATOM 1409 HB2 SER A 88 76.291 88.909 41.634 1.00 0.00 H ATOM 1410 HB3 SER A 88 75.319 87.436 41.411 1.00 0.00 H ATOM 1411 HG SER A 88 74.111 88.574 39.805 1.00 0.00 H ATOM 1412 H SER A 88 75.159 86.474 39.136 1.00 0.00 H ATOM 1413 N LYS A 89 77.560 85.810 40.584 1.00 16.41 N ATOM 1414 CA LYS A 89 78.551 85.077 41.303 1.00 16.45 C ATOM 1415 C LYS A 89 79.696 84.694 40.415 1.00 17.64 C ATOM 1416 O LYS A 89 80.818 84.707 40.900 1.00 23.73 O ATOM 1417 CB LYS A 89 77.844 83.888 41.927 1.00 25.19 C ATOM 1418 CG LYS A 89 77.984 83.875 43.453 1.00 37.06 C ATOM 1419 CD LYS A 89 77.638 85.256 44.094 1.00 47.93 C ATOM 1420 CE LYS A 89 78.341 85.666 45.433 1.00 49.34 C ATOM 1421 NZ LYS A 89 79.665 86.261 45.266 1.00 46.97 N ATOM 1422 HA LYS A 89 79.006 85.680 42.089 1.00 0.00 H ATOM 1423 HB2 LYS A 89 76.786 83.933 41.670 1.00 0.00 H ATOM 1424 HB3 LYS A 89 78.275 82.971 41.526 1.00 0.00 H ATOM 1425 HG2 LYS A 89 77.310 83.121 43.860 1.00 0.00 H ATOM 1426 HG3 LYS A 89 79.012 83.618 43.708 1.00 0.00 H ATOM 1427 HD2 LYS A 89 77.882 86.021 43.357 1.00 0.00 H ATOM 1428 HD3 LYS A 89 76.564 85.262 44.281 1.00 0.00 H ATOM 1429 HE2 LYS A 89 78.444 84.774 46.051 1.00 0.00 H ATOM 1430 HE3 LYS A 89 77.705 86.389 45.944 1.00 0.00 H ATOM 1431 HZ1 LYS A 89 80.292 85.581 44.791 1.00 0.00 H ATOM 1432 HZ2 LYS A 89 79.586 87.123 44.689 1.00 0.00 H ATOM 1433 HZ3 LYS A 89 80.056 86.501 46.199 1.00 0.00 H ATOM 1434 H LYS A 89 76.732 85.328 40.178 1.00 0.00 H ATOM 1435 N HIS A 90 79.459 84.402 39.127 1.00 20.40 N ATOM 1436 CA HIS A 90 80.481 84.066 38.138 1.00 18.58 C ATOM 1437 C HIS A 90 80.010 84.364 36.717 1.00 20.27 C ATOM 1438 O HIS A 90 79.000 83.826 36.278 1.00 24.81 O ATOM 1439 CB HIS A 90 80.866 82.596 38.179 1.00 19.80 C ATOM 1440 CG HIS A 90 79.760 81.665 38.637 1.00 24.33 C ATOM 1441 ND1 HIS A 90 79.657 81.089 39.831 1.00 25.72 N ATOM 1442 CD2 HIS A 90 78.664 81.292 37.916 1.00 28.78 C ATOM 1443 CE1 HIS A 90 78.558 80.397 39.879 1.00 22.35 C ATOM 1444 NE2 HIS A 90 77.969 80.522 38.723 1.00 31.65 N ATOM 1445 HA HIS A 90 81.341 84.684 38.397 1.00 0.00 H ATOM 1446 HB2 HIS A 90 81.170 82.296 37.176 1.00 0.00 H ATOM 1447 HB3 HIS A 90 81.709 82.484 38.861 1.00 0.00 H ATOM 1448 HD2 HIS A 90 78.418 81.572 36.892 1.00 0.00 H ATOM 1449 HE1 HIS A 90 78.196 79.819 40.729 1.00 0.00 H ATOM 1450 H HIS A 90 78.469 84.416 38.807 1.00 0.00 H ATOM 1451 N ALA A 91 80.750 85.208 35.975 1.00 18.68 N ATOM 1452 CA ALA A 91 80.479 85.592 34.599 1.00 15.35 C ATOM 1453 C ALA A 91 80.113 84.501 33.613 1.00 17.14 C ATOM 1454 O ALA A 91 79.239 84.698 32.772 1.00 21.30 O ATOM 1455 CB ALA A 91 81.670 86.296 34.009 1.00 10.13 C ATOM 1456 HA ALA A 91 79.591 86.214 34.715 1.00 0.00 H ATOM 1457 HB1 ALA A 91 81.887 87.191 34.592 1.00 0.00 H ATOM 1458 HB2 ALA A 91 82.532 85.629 34.030 1.00 0.00 H ATOM 1459 HB3 ALA A 91 81.451 86.577 32.979 1.00 0.00 H ATOM 1460 H ALA A 91 81.591 85.623 36.426 1.00 0.00 H ATOM 1461 N ASP A 92 80.813 83.361 33.700 1.00 16.70 N ATOM 1462 CA ASP A 92 80.622 82.172 32.868 1.00 10.90 C ATOM 1463 C ASP A 92 80.165 82.440 31.449 1.00 8.79 C ATOM 1464 O ASP A 92 79.131 81.958 30.993 1.00 17.70 O ATOM 1465 CB ASP A 92 79.647 81.262 33.656 1.00 10.90 C ATOM 1466 CG ASP A 92 79.204 79.963 33.015 1.00 14.51 C ATOM 1467 OD1 ASP A 92 79.827 79.478 32.073 1.00 18.39 O ATOM 1468 OD2 ASP A 92 78.196 79.428 33.455 1.00 22.02 O ATOM 1469 HA ASP A 92 81.584 81.689 32.699 1.00 0.00 H ATOM 1470 HB2 ASP A 92 80.132 81.009 34.599 1.00 0.00 H ATOM 1471 HB3 ASP A 92 78.749 81.847 33.856 1.00 0.00 H ATOM 1472 H ASP A 92 81.559 83.318 34.424 1.00 0.00 H ATOM 1473 N GLY A 93 80.885 83.296 30.750 1.00 9.46 N ATOM 1474 CA GLY A 93 80.624 83.555 29.346 1.00 10.93 C ATOM 1475 C GLY A 93 80.234 85.003 29.130 1.00 14.40 C ATOM 1476 O GLY A 93 80.462 85.602 28.078 1.00 15.25 O ATOM 1477 HA3 GLY A 93 79.812 82.911 29.008 1.00 0.00 H ATOM 1478 HA2 GLY A 93 81.522 83.337 28.769 1.00 0.00 H ATOM 1479 H GLY A 93 81.664 83.801 31.219 1.00 0.00 H ATOM 1480 N LEU A 94 79.601 85.595 30.136 1.00 11.90 N ATOM 1481 CA LEU A 94 79.235 86.979 30.065 1.00 11.08 C ATOM 1482 C LEU A 94 80.497 87.815 29.919 1.00 14.15 C ATOM 1483 O LEU A 94 81.592 87.387 30.286 1.00 15.89 O ATOM 1484 CB LEU A 94 78.485 87.308 31.329 1.00 7.59 C ATOM 1485 CG LEU A 94 77.158 87.991 31.195 1.00 7.15 C ATOM 1486 CD1 LEU A 94 76.202 87.263 30.250 1.00 3.29 C ATOM 1487 CD2 LEU A 94 76.611 88.058 32.585 1.00 7.13 C ATOM 1488 HA LEU A 94 78.599 87.193 29.206 1.00 0.00 H ATOM 1489 HB2 LEU A 94 78.317 86.372 31.861 1.00 0.00 H ATOM 1490 HB3 LEU A 94 79.125 87.955 31.928 1.00 0.00 H ATOM 1491 HG LEU A 94 77.276 88.979 30.749 1.00 0.00 H ATOM 1492 HD21 LEU A 94 76.505 87.048 32.981 1.00 0.00 H ATOM 1493 HD22 LEU A 94 77.294 88.627 33.216 1.00 0.00 H ATOM 1494 HD23 LEU A 94 75.637 88.547 32.568 1.00 0.00 H ATOM 1495 HD11 LEU A 94 76.647 87.207 29.257 1.00 0.00 H ATOM 1496 HD12 LEU A 94 76.020 86.256 30.625 1.00 0.00 H ATOM 1497 HD13 LEU A 94 75.260 87.809 30.197 1.00 0.00 H ATOM 1498 H LEU A 94 79.367 85.046 30.988 1.00 0.00 H ATOM 1499 N CYS A 95 80.371 89.035 29.398 1.00 16.02 N ATOM 1500 CA CYS A 95 81.513 89.891 29.165 1.00 11.34 C ATOM 1501 C CYS A 95 82.144 90.266 30.461 1.00 11.03 C ATOM 1502 O CYS A 95 83.346 90.491 30.518 1.00 19.84 O ATOM 1503 CB CYS A 95 81.076 91.123 28.430 1.00 12.36 C ATOM 1504 SG CYS A 95 79.850 92.110 29.305 1.00 24.15 S ATOM 1505 HA CYS A 95 82.246 89.355 28.562 1.00 0.00 H ATOM 1506 HB2 CYS A 95 80.650 90.818 27.474 1.00 0.00 H ATOM 1507 HB3 CYS A 95 81.953 91.745 28.254 1.00 0.00 H ATOM 1508 HG CYS A 95 79.521 93.213 28.543 1.00 0.00 H ATOM 1509 H CYS A 95 79.422 89.382 29.151 1.00 0.00 H ATOM 1510 N HIS A 96 81.376 90.230 31.535 1.00 10.09 N ATOM 1511 CA HIS A 96 81.869 90.599 32.855 1.00 12.14 C ATOM 1512 C HIS A 96 80.803 90.139 33.813 1.00 12.56 C ATOM 1513 O HIS A 96 79.629 90.296 33.505 1.00 13.28 O ATOM 1514 CB HIS A 96 82.011 92.109 32.984 1.00 9.38 C ATOM 1515 CG HIS A 96 82.759 92.574 34.197 1.00 7.06 C ATOM 1516 ND1 HIS A 96 84.024 92.957 34.213 1.00 9.32 N ATOM 1517 CD2 HIS A 96 82.238 92.687 35.472 1.00 10.24 C ATOM 1518 CE1 HIS A 96 84.280 93.303 35.466 1.00 12.23 C ATOM 1519 NE2 HIS A 96 83.196 93.139 36.226 1.00 9.38 N ATOM 1520 HA HIS A 96 82.846 90.155 33.045 1.00 0.00 H ATOM 1521 HB2 HIS A 96 82.535 92.476 32.102 1.00 0.00 H ATOM 1522 HB3 HIS A 96 81.011 92.541 33.017 1.00 0.00 H ATOM 1523 HD2 HIS A 96 81.222 92.445 35.785 1.00 0.00 H ATOM 1524 HE1 HIS A 96 85.241 93.670 35.825 1.00 0.00 H ATOM 1525 H HIS A 96 80.386 89.928 31.435 1.00 0.00 H ATOM 1526 N ARG A 97 81.140 89.666 35.011 1.00 15.58 N ATOM 1527 CA ARG A 97 80.099 89.259 35.941 1.00 16.30 C ATOM 1528 C ARG A 97 79.254 90.470 36.342 1.00 15.81 C ATOM 1529 O ARG A 97 79.704 91.598 36.188 1.00 19.47 O ATOM 1530 CB ARG A 97 80.763 88.597 37.147 1.00 14.39 C ATOM 1531 CG ARG A 97 80.995 89.502 38.284 1.00 10.79 C ATOM 1532 CD ARG A 97 81.359 88.668 39.468 1.00 11.03 C ATOM 1533 NE ARG A 97 81.024 89.452 40.643 1.00 14.10 N ATOM 1534 CZ ARG A 97 81.709 90.536 40.953 1.00 16.75 C ATOM 1535 NH1 ARG A 97 82.747 90.931 40.200 1.00 25.58 N ATOM 1536 NH2 ARG A 97 81.317 91.264 41.987 1.00 22.24 N ATOM 1537 HA ARG A 97 79.424 88.540 35.477 1.00 0.00 H ATOM 1538 HB2 ARG A 97 80.123 87.782 37.484 1.00 0.00 H ATOM 1539 HB3 ARG A 97 81.725 88.194 36.829 1.00 0.00 H ATOM 1540 HG2 ARG A 97 81.808 90.189 38.051 1.00 0.00 H ATOM 1541 HG3 ARG A 97 80.090 90.071 38.496 1.00 0.00 H ATOM 1542 HD2 ARG A 97 82.425 88.443 39.457 1.00 0.00 H ATOM 1543 HD3 ARG A 97 80.792 87.737 39.462 1.00 0.00 H ATOM 1544 HE ARG A 97 80.233 89.155 41.249 1.00 0.00 H ATOM 1545 HH12 ARG A 97 83.279 91.788 40.456 1.00 0.00 H ATOM 1546 HH11 ARG A 97 83.020 90.381 39.361 1.00 0.00 H ATOM 1547 HH22 ARG A 97 81.843 92.122 42.248 1.00 0.00 H ATOM 1548 HH21 ARG A 97 80.483 90.978 42.538 1.00 0.00 H ATOM 1549 H ARG A 97 82.142 89.588 35.280 1.00 0.00 H ATOM 1550 N LEU A 98 78.028 90.317 36.807 1.00 13.93 N ATOM 1551 CA LEU A 98 77.219 91.466 37.076 1.00 15.90 C ATOM 1552 C LEU A 98 77.662 92.001 38.435 1.00 17.73 C ATOM 1553 O LEU A 98 77.825 91.217 39.369 1.00 18.29 O ATOM 1554 CB LEU A 98 75.772 91.036 37.068 1.00 13.14 C ATOM 1555 CG LEU A 98 75.243 90.395 35.807 1.00 16.06 C ATOM 1556 CD1 LEU A 98 73.753 90.151 36.050 1.00 16.40 C ATOM 1557 CD2 LEU A 98 75.446 91.254 34.583 1.00 11.89 C ATOM 1558 HA LEU A 98 77.329 92.254 36.331 1.00 0.00 H ATOM 1559 HB2 LEU A 98 75.639 90.320 37.879 1.00 0.00 H ATOM 1560 HB3 LEU A 98 75.167 91.921 37.264 1.00 0.00 H ATOM 1561 HG LEU A 98 75.785 89.471 35.605 1.00 0.00 H ATOM 1562 HD21 LEU A 98 74.927 92.203 34.717 1.00 0.00 H ATOM 1563 HD22 LEU A 98 76.511 91.437 34.442 1.00 0.00 H ATOM 1564 HD23 LEU A 98 75.046 90.740 33.709 1.00 0.00 H ATOM 1565 HD11 LEU A 98 73.629 89.491 36.909 1.00 0.00 H ATOM 1566 HD12 LEU A 98 73.258 91.102 36.246 1.00 0.00 H ATOM 1567 HD13 LEU A 98 73.314 89.686 35.167 1.00 0.00 H ATOM 1568 H LEU A 98 77.651 89.363 36.978 1.00 0.00 H ATOM 1569 N THR A 99 77.901 93.312 38.583 1.00 15.75 N ATOM 1570 CA THR A 99 78.405 93.817 39.848 1.00 17.00 C ATOM 1571 C THR A 99 77.509 94.862 40.445 1.00 21.07 C ATOM 1572 O THR A 99 77.751 95.255 41.575 1.00 25.26 O ATOM 1573 CB THR A 99 79.837 94.466 39.704 1.00 11.65 C ATOM 1574 OG1 THR A 99 79.653 95.474 38.729 1.00 17.73 O ATOM 1575 CG2 THR A 99 80.963 93.593 39.171 1.00 9.80 C ATOM 1576 HA THR A 99 78.448 92.943 40.497 1.00 0.00 H ATOM 1577 HB THR A 99 80.151 94.754 40.707 1.00 0.00 H ATOM 1578 HG1 THR A 99 80.512 95.941 38.572 1.00 0.00 H ATOM 1579 HG23 THR A 99 81.162 92.787 39.877 1.00 0.00 H ATOM 1580 HG21 THR A 99 80.670 93.171 38.210 1.00 0.00 H ATOM 1581 HG22 THR A 99 81.861 94.197 39.046 1.00 0.00 H ATOM 1582 H THR A 99 77.726 93.966 37.794 1.00 0.00 H ATOM 1583 N ASN A 100 76.443 95.302 39.792 1.00 26.18 N ATOM 1584 CA ASN A 100 75.839 96.574 40.190 1.00 28.70 C ATOM 1585 C ASN A 100 74.459 96.797 39.572 1.00 26.89 C ATOM 1586 O ASN A 100 74.325 96.653 38.361 1.00 28.23 O ATOM 1587 CB ASN A 100 76.831 97.631 39.743 1.00 35.11 C ATOM 1588 CG ASN A 100 76.874 98.939 40.478 1.00 40.90 C ATOM 1589 OD1 ASN A 100 77.470 99.048 41.553 1.00 46.63 O ATOM 1590 ND2 ASN A 100 76.300 99.951 39.826 1.00 41.82 N ATOM 1591 HA ASN A 100 75.658 96.603 41.264 1.00 0.00 H ATOM 1592 HB2 ASN A 100 77.825 97.189 39.816 1.00 0.00 H ATOM 1593 HB3 ASN A 100 76.611 97.857 38.700 1.00 0.00 H ATOM 1594 HD22 ASN A 100 75.815 99.779 38.922 1.00 0.00 H ATOM 1595 HD21 ASN A 100 76.338 100.912 40.221 1.00 0.00 H ATOM 1596 H ASN A 100 76.041 94.751 39.007 1.00 0.00 H ATOM 1597 N VAL A 101 73.410 97.166 40.307 1.00 24.67 N ATOM 1598 CA VAL A 101 72.116 97.409 39.695 1.00 23.36 C ATOM 1599 C VAL A 101 72.161 98.859 39.266 1.00 25.08 C ATOM 1600 O VAL A 101 72.353 99.737 40.121 1.00 28.17 O ATOM 1601 CB VAL A 101 70.963 97.215 40.695 1.00 23.65 C ATOM 1602 CG1 VAL A 101 69.731 97.410 39.851 1.00 24.91 C ATOM 1603 CG2 VAL A 101 70.894 95.840 41.378 1.00 23.55 C ATOM 1604 HA VAL A 101 71.937 96.715 38.873 1.00 0.00 H ATOM 1605 HB VAL A 101 71.086 97.909 41.527 1.00 0.00 H ATOM 1606 HG11 VAL A 101 69.743 98.411 39.419 1.00 0.00 H ATOM 1607 HG12 VAL A 101 69.718 96.668 39.052 1.00 0.00 H ATOM 1608 HG13 VAL A 101 68.844 97.292 40.473 1.00 0.00 H ATOM 1609 HG21 VAL A 101 70.775 95.065 40.621 1.00 0.00 H ATOM 1610 HG22 VAL A 101 71.814 95.666 41.936 1.00 0.00 H ATOM 1611 HG23 VAL A 101 70.044 95.817 42.060 1.00 0.00 H ATOM 1612 H VAL A 101 73.520 97.282 41.335 1.00 0.00 H ATOM 1613 N CYS A 102 71.966 99.130 37.976 1.00 23.44 N ATOM 1614 CA CYS A 102 72.032 100.498 37.451 1.00 24.88 C ATOM 1615 C CYS A 102 71.146 101.537 38.158 1.00 28.82 C ATOM 1616 O CYS A 102 69.956 101.289 38.357 1.00 29.92 O ATOM 1617 CB CYS A 102 71.687 100.397 35.982 1.00 25.50 C ATOM 1618 SG CYS A 102 71.734 101.816 34.861 1.00 25.63 S ATOM 1619 HA CYS A 102 73.036 100.881 37.633 1.00 0.00 H ATOM 1620 HB2 CYS A 102 70.668 100.012 35.938 1.00 0.00 H ATOM 1621 HB3 CYS A 102 72.371 99.659 35.562 1.00 0.00 H ATOM 1622 HG CYS A 102 71.370 101.411 33.593 1.00 0.00 H ATOM 1623 H CYS A 102 71.761 98.348 37.322 1.00 0.00 H ATOM 1624 N PRO A 103 71.680 102.701 38.585 1.00 32.41 N ATOM 1625 CA PRO A 103 70.984 103.843 39.185 1.00 29.63 C ATOM 1626 C PRO A 103 69.871 104.467 38.384 1.00 33.20 C ATOM 1627 O PRO A 103 70.041 104.708 37.192 1.00 30.30 O ATOM 1628 CB PRO A 103 72.038 104.828 39.428 1.00 27.01 C ATOM 1629 CG PRO A 103 72.978 104.564 38.294 1.00 27.83 C ATOM 1630 CD PRO A 103 73.085 103.065 38.451 1.00 32.93 C ATOM 1631 HA PRO A 103 70.461 103.489 40.073 1.00 0.00 H ATOM 1632 HD3 PRO A 103 73.538 102.601 37.575 1.00 0.00 H ATOM 1633 HD2 PRO A 103 73.656 102.794 39.339 1.00 0.00 H ATOM 1634 HG3 PRO A 103 73.938 105.063 38.429 1.00 0.00 H ATOM 1635 HG2 PRO A 103 72.554 104.849 37.331 1.00 0.00 H ATOM 1636 HB2 PRO A 103 71.647 105.845 39.390 1.00 0.00 H ATOM 1637 HB3 PRO A 103 72.522 104.662 40.391 1.00 0.00 H ATOM 1638 N THR A 104 68.792 104.643 39.154 1.00 41.56 N ATOM 1639 CA THR A 104 67.517 105.329 38.888 1.00 42.80 C ATOM 1640 C THR A 104 66.389 104.771 39.751 1.00 44.66 C ATOM 1641 O THR A 104 65.437 105.507 40.026 1.00 43.80 O ATOM 1642 CB THR A 104 67.109 105.228 37.391 1.00 41.97 C ATOM 1643 OG1 THR A 104 67.630 106.459 37.002 1.00 47.21 O ATOM 1644 CG2 THR A 104 65.654 105.057 36.954 1.00 42.13 C ATOM 1645 HA THR A 104 67.675 106.377 39.141 1.00 0.00 H ATOM 1646 OXT THR A 104 66.470 103.616 40.208 1.00 62.30 O ATOM 1647 HB THR A 104 67.460 104.296 36.948 1.00 0.00 H ATOM 1648 HG1 THR A 104 68.604 106.474 37.179 1.00 0.00 H ATOM 1649 HG23 THR A 104 65.290 104.082 37.279 1.00 0.00 H ATOM 1650 HG21 THR A 104 65.046 105.842 37.404 1.00 0.00 H ATOM 1651 HG22 THR A 104 65.592 105.125 35.868 1.00 0.00 H ATOM 1652 H THR A 104 68.866 104.224 40.103 1.00 0.00 H TER 1653 THR A 104 HETATM 1654 O HOH 1 78.115 108.425 27.802 1.00 46.21 O HETATM 1655 O HOH 2 66.845 89.856 16.720 1.00 53.15 O HETATM 1656 O HOH 3 59.007 101.776 23.316 1.00 39.61 O HETATM 1657 O HOH 4 70.294 84.047 23.518 1.00 30.93 O HETATM 1658 O HOH 5 66.024 80.463 20.121 1.00 53.29 O HETATM 1659 O HOH 6 68.246 88.381 42.347 1.00 33.34 O HETATM 1660 O HOH 7 89.273 91.755 32.340 1.00 44.36 O HETATM 1661 O HOH 8 79.248 77.942 36.405 1.00 87.26 O HETATM 1662 O HOH 9 78.753 97.595 22.748 1.00 62.71 O HETATM 1663 O HOH 10 71.191 71.911 27.496 1.00 30.93 O HETATM 1664 N PRO A 11 69.189 95.083 15.606 1.00 0.25 N HETATM 1665 CA PRO A 11 70.263 95.490 16.516 1.00 0.07 C HETATM 1666 C PRO A 11 71.066 94.284 16.969 1.00 0.23 C HETATM 1667 O PRO A 11 70.488 93.212 17.123 1.00 -0.39 O HETATM 1668 N PRO A 11 72.368 94.408 17.230 1.00 -0.26 N HETATM 1669 CA PRO A 11 73.151 93.219 17.588 1.00 0.13 C HETATM 1670 CB PRO A 11 74.632 93.338 17.240 1.00 -0.02 C HETATM 1671 H12 PRO A 11 75.153 92.415 17.535 1.00 0.03 H HETATM 1672 H13 PRO A 11 75.067 94.193 17.778 1.00 0.03 H HETATM 1673 H14 PRO A 11 74.743 93.491 16.156 1.00 0.03 H HETATM 1674 C PRO A 11 73.102 92.935 19.072 1.00 0.20 C HETATM 1675 O PRO A 11 72.964 93.794 19.942 1.00 -0.39 O HETATM 1676 N PRO A 11 73.143 91.642 19.305 1.00 -0.26 N HETATM 1677 CA PRO A 11 73.104 91.119 20.644 1.00 0.14 C HETATM 1678 CB PRO A 11 71.836 90.301 20.862 1.00 0.02 C HETATM 1679 CG PRO A 11 70.521 91.058 21.058 1.00 -0.05 C HETATM 1680 CD1 PRO A 11 69.953 91.759 20.012 1.00 -0.07 C HETATM 1681 CE1 PRO A 11 68.737 92.392 20.170 1.00 -0.04 C HETATM 1682 CZ PRO A 11 68.118 92.304 21.393 1.00 0.08 C HETATM 1683 CE2 PRO A 11 68.664 91.625 22.454 1.00 -0.04 C HETATM 1684 CD2 PRO A 11 69.877 90.999 22.278 1.00 -0.07 C HETATM 1685 H20 PRO A 11 70.329 90.457 23.101 1.00 0.05 H HETATM 1686 H22 PRO A 11 68.152 91.583 23.408 1.00 0.05 H HETATM 1687 OH PRO A 11 66.826 92.892 21.547 1.00 -0.34 O HETATM 1688 H23 PRO A 11 66.193 92.214 21.751 1.00 0.25 H HETATM 1689 H21 PRO A 11 68.284 92.942 19.353 1.00 0.05 H HETATM 1690 H19 PRO A 11 70.467 91.812 19.059 1.00 0.05 H HETATM 1691 H17 PRO A 11 71.995 89.683 21.758 1.00 0.05 H HETATM 1692 H18 PRO A 11 71.711 89.650 19.984 1.00 0.05 H HETATM 1693 C PRO A 11 74.312 90.230 20.851 1.00 0.21 C HETATM 1694 O PRO A 11 74.725 89.513 19.942 1.00 -0.39 O HETATM 1695 N PRO A 11 74.911 90.287 22.033 1.00 -0.26 N HETATM 1696 CA PRO A 11 75.982 89.384 22.348 1.00 0.13 C HETATM 1697 CB PRO A 11 76.700 89.808 23.582 1.00 -0.00 C HETATM 1698 CG PRO A 11 77.507 91.053 23.477 1.00 0.00 C HETATM 1699 CD PRO A 11 78.667 90.910 22.529 1.00 0.04 C HETATM 1700 OE2 PRO A 11 78.466 91.269 21.376 1.00 -0.57 O HETATM 1701 OE1 PRO A 11 79.753 90.467 22.928 1.00 -0.57 O HETATM 1702 H28 PRO A 11 77.896 91.306 24.474 1.00 0.04 H HETATM 1703 H29 PRO A 11 76.857 91.865 23.119 1.00 0.04 H HETATM 1704 H26 PRO A 11 77.378 88.992 23.873 1.00 0.03 H HETATM 1705 H27 PRO A 11 75.949 89.960 24.372 1.00 0.03 H HETATM 1706 C PRO A 11 75.457 87.992 22.591 1.00 0.20 C HETATM 1707 O PRO A 11 74.372 87.798 23.121 1.00 -0.39 O HETATM 1708 N PRO A 11 76.217 87.009 22.143 1.00 -0.26 N HETATM 1709 CA PRO A 11 75.916 85.636 22.506 1.00 0.13 C HETATM 1710 CB PRO A 11 75.653 84.799 21.255 1.00 -0.00 C HETATM 1711 CG PRO A 11 74.270 85.083 20.656 1.00 0.00 C HETATM 1712 CD PRO A 11 73.987 84.412 19.313 1.00 0.04 C HETATM 1713 OE2 PRO A 11 73.889 85.130 18.309 1.00 -0.57 O HETATM 1714 OE1 PRO A 11 73.854 83.183 19.276 1.00 -0.57 O HETATM 1715 H34 PRO A 11 74.177 86.170 20.518 1.00 0.04 H HETATM 1716 H35 PRO A 11 73.512 84.738 21.374 1.00 0.04 H HETATM 1717 H32 PRO A 11 75.713 83.733 21.521 1.00 0.03 H HETATM 1718 H33 PRO A 11 76.421 85.033 20.503 1.00 0.03 H HETATM 1719 C PRO A 11 77.110 85.083 23.266 1.00 0.20 C HETATM 1720 O PRO A 11 78.247 85.463 22.986 1.00 -0.39 O HETATM 1721 N PRO A 11 76.813 84.257 24.280 1.00 -0.26 N HETATM 1722 CA PRO A 11 77.827 83.586 25.092 1.00 0.13 C HETATM 1723 CB PRO A 11 77.133 82.989 26.362 1.00 -0.00 C HETATM 1724 CG2 PRO A 11 78.168 82.199 27.170 1.00 -0.06 C HETATM 1725 H41 PRO A 11 78.603 81.411 26.538 1.00 0.02 H HETATM 1726 H42 PRO A 11 77.680 81.741 28.043 1.00 0.02 H HETATM 1727 H43 PRO A 11 78.964 82.878 27.509 1.00 0.02 H HETATM 1728 CG1 PRO A 11 76.492 84.104 27.194 1.00 -0.05 C HETATM 1729 CD1 PRO A 11 76.024 83.677 28.595 1.00 -0.06 C HETATM 1730 H44 PRO A 11 75.580 84.540 29.112 1.00 0.02 H HETATM 1731 H45 PRO A 11 76.884 83.306 29.172 1.00 0.02 H HETATM 1732 H46 PRO A 11 75.273 82.879 28.503 1.00 0.02 H HETATM 1733 H39 PRO A 11 75.619 84.483 26.643 1.00 0.03 H HETATM 1734 H40 PRO A 11 77.230 84.911 27.311 1.00 0.03 H HETATM 1735 H38 PRO A 11 76.339 82.299 26.041 1.00 0.03 H HETATM 1736 C PRO A 11 78.448 82.501 24.197 1.00 0.21 C HETATM 1737 O PRO A 11 77.674 81.794 23.546 1.00 -0.39 O HETATM 1738 N PRO A 11 79.767 82.352 24.026 1.00 -0.25 N HETATM 1739 CA PRO A 11 80.339 81.844 22.778 1.00 0.12 C HETATM 1740 C PRO A 11 79.883 80.471 22.269 1.00 0.12 C HETATM 1741 O PRO A 11 79.331 80.391 21.143 1.00 -0.37 O HETATM 1742 H48 PRO A 11 80.035 79.579 22.874 1.00 0.14 H HETATM 1743 CB PRO A 11 81.841 81.938 23.024 1.00 -0.01 C HETATM 1744 CG PRO A 11 81.979 82.164 24.511 1.00 -0.03 C HETATM 1745 CD PRO A 11 80.785 83.021 24.800 1.00 0.04 C HETATM 1746 H53 PRO A 11 80.540 83.023 25.872 1.00 0.05 H HETATM 1747 H54 PRO A 11 80.938 84.055 24.457 1.00 0.05 H HETATM 1748 H51 PRO A 11 81.936 81.216 25.066 1.00 0.03 H HETATM 1749 H52 PRO A 11 82.916 82.688 24.752 1.00 0.03 H HETATM 1750 H49 PRO A 11 82.273 82.780 22.463 1.00 0.03 H HETATM 1751 H50 PRO A 11 82.341 81.004 22.727 1.00 0.03 H HETATM 1752 H47 PRO A 11 80.073 82.554 21.981 1.00 0.08 H HETATM 1753 H37 PRO A 11 78.604 84.299 25.404 1.00 0.08 H HETATM 1754 H36 PRO A 11 75.850 84.092 24.491 1.00 0.19 H HETATM 1755 H31 PRO A 11 75.025 85.612 23.150 1.00 0.08 H HETATM 1756 H30 PRO A 11 76.999 87.210 21.554 1.00 0.19 H HETATM 1757 H25 PRO A 11 76.687 89.367 21.504 1.00 0.08 H HETATM 1758 H24 PRO A 11 74.615 90.963 22.708 1.00 0.19 H HETATM 1759 H16 PRO A 11 73.128 91.951 21.363 1.00 0.08 H HETATM 1760 H15 PRO A 11 73.203 91.008 18.534 1.00 0.19 H HETATM 1761 H11 PRO A 11 72.726 92.364 17.043 1.00 0.08 H HETATM 1762 H10 PRO A 11 72.808 95.305 17.182 1.00 0.19 H HETATM 1763 CB PRO A 11 69.589 96.204 17.671 1.00 0.01 C HETATM 1764 CG PRO A 11 68.258 95.482 17.777 1.00 -0.01 C HETATM 1765 CD PRO A 11 67.920 95.263 16.310 1.00 -0.03 C HETATM 1766 H8 PRO A 11 67.293 94.366 16.196 1.00 0.08 H HETATM 1767 H9 PRO A 11 67.386 96.137 15.910 1.00 0.08 H HETATM 1768 H6 PRO A 11 68.359 94.527 18.314 1.00 0.03 H HETATM 1769 H7 PRO A 11 67.501 96.105 18.276 1.00 0.03 H HETATM 1770 H4 PRO A 11 69.445 97.271 17.448 1.00 0.03 H HETATM 1771 H5 PRO A 11 70.172 96.099 18.598 1.00 0.03 H HETATM 1772 H3 PRO A 11 70.941 96.187 16.002 1.00 0.11 H HETATM 1773 H1 PRO A 11 69.305 94.115 15.349 1.00 0.20 H HETATM 1774 H2 PRO A 11 69.206 95.656 14.777 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 1664 1665 1765 1773 1774 CONECT 1665 1664 1666 1763 1772 CONECT 1666 1665 1667 1668 CONECT 1667 1666 CONECT 1668 1666 1669 1762 CONECT 1669 1668 1670 1674 1761 CONECT 1670 1669 1671 1672 1673 CONECT 1671 1670 CONECT 1672 1670 CONECT 1673 1670 CONECT 1674 1669 1675 1676 CONECT 1675 1674 CONECT 1676 1674 1677 1760 CONECT 1677 1676 1678 1693 1759 CONECT 1678 1677 1679 1691 1692 CONECT 1679 1678 1680 1684 CONECT 1680 1679 1681 1690 CONECT 1681 1680 1682 1689 CONECT 1682 1681 1683 1687 CONECT 1683 1682 1684 1686 CONECT 1684 1679 1683 1685 CONECT 1685 1684 CONECT 1686 1683 CONECT 1687 1682 1688 CONECT 1688 1687 CONECT 1689 1681 CONECT 1690 1680 CONECT 1691 1678 CONECT 1692 1678 CONECT 1693 1677 1694 1695 CONECT 1694 1693 CONECT 1695 1693 1696 1758 CONECT 1696 1695 1697 1706 1757 CONECT 1697 1696 1698 1704 1705 CONECT 1698 1697 1699 1702 1703 CONECT 1699 1698 1700 1701 CONECT 1700 1699 CONECT 1701 1699 CONECT 1702 1698 CONECT 1703 1698 CONECT 1704 1697 CONECT 1705 1697 CONECT 1706 1696 1707 1708 CONECT 1707 1706 CONECT 1708 1706 1709 1756 CONECT 1709 1708 1710 1719 1755 CONECT 1710 1709 1711 1717 1718 CONECT 1711 1710 1712 1715 1716 CONECT 1712 1711 1713 1714 CONECT 1713 1712 CONECT 1714 1712 CONECT 1715 1711 CONECT 1716 1711 CONECT 1717 1710 CONECT 1718 1710 CONECT 1719 1709 1720 1721 CONECT 1720 1719 CONECT 1721 1719 1722 1754 CONECT 1722 1721 1723 1736 1753 CONECT 1723 1722 1724 1728 1735 CONECT 1724 1723 1725 1726 1727 CONECT 1725 1724 CONECT 1726 1724 CONECT 1727 1724 CONECT 1728 1723 1729 1733 1734 CONECT 1729 1728 1730 1731 1732 CONECT 1730 1729 CONECT 1731 1729 CONECT 1732 1729 CONECT 1733 1728 CONECT 1734 1728 CONECT 1735 1723 CONECT 1736 1722 1737 1738 CONECT 1737 1736 CONECT 1738 1736 1739 1745 CONECT 1739 1738 1740 1743 1752 CONECT 1740 1739 1741 1742 CONECT 1741 1740 CONECT 1742 1740 CONECT 1743 1739 1744 1750 1751 CONECT 1744 1743 1745 1748 1749 CONECT 1745 1738 1744 1746 1747 CONECT 1746 1745 CONECT 1747 1745 CONECT 1748 1744 CONECT 1749 1744 CONECT 1750 1743 CONECT 1751 1743 CONECT 1752 1739 CONECT 1753 1722 CONECT 1754 1721 CONECT 1755 1709 CONECT 1756 1708 CONECT 1757 1696 CONECT 1758 1695 CONECT 1759 1677 CONECT 1760 1676 CONECT 1761 1669 CONECT 1762 1668 CONECT 1763 1665 1764 1770 1771 CONECT 1764 1763 1765 1768 1769 CONECT 1765 1664 1764 1766 1767 CONECT 1766 1765 CONECT 1767 1765 CONECT 1768 1764 CONECT 1769 1764 CONECT 1770 1763 CONECT 1771 1763 CONECT 1772 1665 CONECT 1773 1664 CONECT 1774 1664 MASTER 0 0 0 0 0 0 0 0 1773 1 115 8 END
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1lcj
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PDBbind
11aa, >1LCJ_2|Chain... *
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
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PDBbind
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11-mer
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
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PDBbind
11-mer
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11-mer
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PDBbind
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PDBbind
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PDBbind
11-mer
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
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RCSB PDB
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PDBbind
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PDBbind
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PDBbind
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4pli
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4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
1sps
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
c-src tyrosine kinase (sh2 domain)
Ligand Name
11-mer
EC.Number
E.C.2.7.1.112
Resolution
2.7(Å)
Affinity (Kd/Ki/IC50)
Kd=3nM
Release Year
1994
Protein/NA Sequence
Check fasta file
Primary Reference
Cell v72 pp. 779-90, 1993
Ligand Properties
Formula
C
3
8
H
5
6
N
7
O
1
2
Molecular Weight
802.891
Exact Mass
802.399
No. of atoms
113
No. of bonds
115
Polar Surface Area
294.32
LOGP Value
0.77 (
Computed with XLOGP3
)
1.53 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 27
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 3
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)C)CCC(=O)O)CCC(=O)O)C
InChI String
InChI=1S/C38H55N7O12/c1-4-21(2)32(38(57)45-18-6-7-24(45)20-46)44-36(55)28(14-16-31(50)51)41-35(54)27(13-15-30(48)49)42-37(56)29(19-23-9-11-25(47)12-10-23)43-33(52)22(3)40-34(53)26-8-5-17-39-26/h9-12,20-22,24,26-29,32,39,47H,4-8,13-19H2,1-3H3,(H,40,53)(H,41,54)(H,42,56)(H,43,52)(H,44,55)(H,48,49)(H,50,51)/p+1/t21-,22-,24-,26-,27-,28-,29-,32-/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):
P03079
P00524
Entrez Gene ID
NCBI Entrez Gene ID:
29030998
ASD
Information of known allosteric effects of PDB entries
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