Browse entries in the PDBbind-CN Database
HEADER 1O47_COMPLEX COMPND 1O47_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 106 SER ILE GLN ALA GLU GLU TRP TYR PHE GLY LYS ILE THR SEQRES 2 A 106 ARG ARG GLU SER GLU ARG LEU LEU LEU ASN ALA GLU ASN SEQRES 3 A 106 PRO ARG GLY THR PHE LEU VAL ARG GLU SER GLU THR THR SEQRES 4 A 106 LYS GLY ALA TYR CYS LEU SER VAL SER ASP PHE ASP ASN SEQRES 5 A 106 ALA LYS GLY LEU ASN VAL LYS HIS TYR LYS ILE ARG LYS SEQRES 6 A 106 LEU ASP SER GLY GLY PHE TYR ILE THR SER ARG THR GLN SEQRES 7 A 106 PHE ASN SER LEU GLN GLN LEU VAL ALA TYR TYR SER LYS SEQRES 8 A 106 HIS ALA ASP GLY LEU CYS HIS ARG LEU THR THR VAL CYS SEQRES 9 A 106 PRO THR HET UNN A 227 75 ATOM 1 N SER A 1 2.713 13.897 6.266 1.00 53.13 N ATOM 2 CA SER A 1 2.755 15.392 6.370 1.00 52.54 C ATOM 3 C SER A 1 2.897 15.896 7.809 1.00 51.19 C ATOM 4 O SER A 1 1.980 15.740 8.658 1.00 51.55 O ATOM 5 CB SER A 1 1.513 16.028 5.725 1.00 53.43 C ATOM 6 OG SER A 1 1.546 17.451 5.815 1.00 53.65 O ATOM 7 HA SER A 1 3.649 15.698 5.828 1.00 0.00 H ATOM 8 HB2 SER A 1 0.622 15.661 6.235 1.00 0.00 H ATOM 9 HB3 SER A 1 1.473 15.740 4.674 1.00 0.00 H ATOM 10 HG SER A 1 0.734 17.826 5.391 1.00 0.00 H ATOM 11 HN3 SER A 1 1.901 13.536 6.806 1.00 0.00 H ATOM 12 HN2 SER A 1 3.593 13.499 6.652 1.00 0.00 H ATOM 13 HN1 SER A 1 2.616 13.623 5.267 1.00 0.00 H ATOM 14 N ILE A 2 4.024 16.552 8.062 1.00 48.96 N ATOM 15 CA ILE A 2 4.310 17.096 9.379 1.00 46.22 C ATOM 16 C ILE A 2 3.337 18.205 9.750 1.00 43.35 C ATOM 17 O ILE A 2 2.988 18.357 10.901 1.00 42.12 O ATOM 18 CB ILE A 2 5.759 17.606 9.488 1.00 45.94 C ATOM 19 CG1 ILE A 2 6.038 18.640 8.403 1.00 45.97 C ATOM 20 CG2 ILE A 2 6.708 16.448 9.364 1.00 45.12 C ATOM 21 CD1 ILE A 2 7.338 19.365 8.607 1.00 48.05 C ATOM 22 HA ILE A 2 4.185 16.276 10.086 1.00 0.00 H ATOM 23 HB ILE A 2 5.901 18.081 10.459 1.00 0.00 H ATOM 24 HG12 ILE A 2 6.070 18.133 7.439 1.00 0.00 H ATOM 25 HG13 ILE A 2 5.229 19.370 8.402 1.00 0.00 H ATOM 26 HD11 ILE A 2 7.316 19.885 9.565 1.00 0.00 H ATOM 27 HD12 ILE A 2 8.158 18.647 8.601 1.00 0.00 H ATOM 28 HD13 ILE A 2 7.480 20.087 7.803 1.00 0.00 H ATOM 29 HG21 ILE A 2 6.513 15.733 10.163 1.00 0.00 H ATOM 30 HG22 ILE A 2 6.564 15.964 8.398 1.00 0.00 H ATOM 31 HG23 ILE A 2 7.733 16.810 9.441 1.00 0.00 H ATOM 32 H ILE A 2 4.719 16.679 7.299 1.00 0.00 H ATOM 33 N GLN A 3 2.872 18.957 8.763 1.00 41.20 N ATOM 34 CA GLN A 3 1.937 20.023 9.070 1.00 40.37 C ATOM 35 C GLN A 3 0.568 19.502 9.480 1.00 38.23 C ATOM 36 O GLN A 3 -0.223 20.224 10.046 1.00 39.05 O ATOM 37 CB GLN A 3 1.886 21.049 7.942 1.00 42.60 C ATOM 38 CG GLN A 3 3.128 21.936 8.013 1.00 46.40 C ATOM 39 CD GLN A 3 3.296 22.884 6.860 1.00 47.90 C ATOM 40 OE1 GLN A 3 4.174 23.764 6.892 1.00 48.35 O ATOM 41 NE2 GLN A 3 2.487 22.706 5.814 1.00 49.71 N ATOM 42 HA GLN A 3 2.310 20.546 9.950 1.00 0.00 H ATOM 43 HB2 GLN A 3 1.860 20.534 6.982 1.00 0.00 H ATOM 44 HB3 GLN A 3 0.992 21.664 8.048 1.00 0.00 H ATOM 45 HG2 GLN A 3 3.073 22.524 8.929 1.00 0.00 H ATOM 46 HG3 GLN A 3 4.005 21.289 8.050 1.00 0.00 H ATOM 47 HE22 GLN A 3 1.767 21.955 5.835 1.00 0.00 H ATOM 48 HE21 GLN A 3 2.576 23.318 4.978 1.00 0.00 H ATOM 49 H GLN A 3 3.173 18.786 7.782 1.00 0.00 H ATOM 50 N ALA A 4 0.335 18.217 9.239 1.00 35.34 N ATOM 51 CA ALA A 4 -0.918 17.566 9.622 1.00 32.28 C ATOM 52 C ALA A 4 -0.846 17.167 11.109 1.00 29.08 C ATOM 53 O ALA A 4 -1.853 16.901 11.757 1.00 28.76 O ATOM 54 CB ALA A 4 -1.123 16.319 8.758 1.00 33.18 C ATOM 55 HA ALA A 4 -1.754 18.249 9.471 1.00 0.00 H ATOM 56 HB1 ALA A 4 -1.167 16.609 7.708 1.00 0.00 H ATOM 57 HB2 ALA A 4 -0.291 15.631 8.912 1.00 0.00 H ATOM 58 HB3 ALA A 4 -2.056 15.832 9.041 1.00 0.00 H ATOM 59 H ALA A 4 1.068 17.654 8.762 1.00 0.00 H ATOM 60 N GLU A 5 0.369 17.127 11.638 1.00 24.56 N ATOM 61 CA GLU A 5 0.582 16.747 13.017 1.00 20.89 C ATOM 62 C GLU A 5 0.144 17.842 13.989 1.00 17.48 C ATOM 63 O GLU A 5 0.533 18.996 13.857 1.00 14.73 O ATOM 64 CB GLU A 5 2.056 16.426 13.214 1.00 22.00 C ATOM 65 CG GLU A 5 2.572 15.439 12.188 1.00 24.82 C ATOM 66 CD GLU A 5 1.916 14.066 12.346 1.00 27.52 C ATOM 67 OE1 GLU A 5 1.707 13.383 11.323 1.00 30.38 O ATOM 68 OE2 GLU A 5 1.608 13.658 13.488 1.00 26.72 O ATOM 69 HA GLU A 5 -0.029 15.870 13.232 1.00 0.00 H ATOM 70 HB2 GLU A 5 2.630 17.349 13.132 1.00 0.00 H ATOM 71 HB3 GLU A 5 2.193 16.002 14.209 1.00 0.00 H ATOM 72 HG2 GLU A 5 2.357 15.821 11.190 1.00 0.00 H ATOM 73 HG3 GLU A 5 3.650 15.332 12.310 1.00 0.00 H ATOM 74 H GLU A 5 1.188 17.375 11.047 1.00 0.00 H ATOM 75 N GLU A 6 -0.634 17.455 14.996 1.00 14.80 N ATOM 76 CA GLU A 6 -1.105 18.394 16.005 1.00 12.75 C ATOM 77 C GLU A 6 0.034 19.016 16.824 1.00 13.08 C ATOM 78 O GLU A 6 -0.159 20.064 17.394 1.00 12.80 O ATOM 79 CB GLU A 6 -2.096 17.731 16.971 1.00 12.63 C ATOM 80 CG GLU A 6 -1.514 16.698 17.923 1.00 10.65 C ATOM 81 CD GLU A 6 -1.513 15.280 17.387 1.00 7.65 C ATOM 82 OE1 GLU A 6 -1.269 14.381 18.191 1.00 10.20 O ATOM 83 OE2 GLU A 6 -1.717 15.054 16.185 1.00 7.43 O ATOM 84 HA GLU A 6 -1.602 19.189 15.448 1.00 0.00 H ATOM 85 HB2 GLU A 6 -2.553 18.518 17.572 1.00 0.00 H ATOM 86 HB3 GLU A 6 -2.864 17.239 16.374 1.00 0.00 H ATOM 87 HG2 GLU A 6 -0.484 16.980 18.144 1.00 0.00 H ATOM 88 HG3 GLU A 6 -2.099 16.714 18.843 1.00 0.00 H ATOM 89 H GLU A 6 -0.913 16.456 15.065 1.00 0.00 H ATOM 90 N TRP A 7 1.171 18.322 16.955 1.00 10.96 N ATOM 91 CA TRP A 7 2.325 18.860 17.702 1.00 10.85 C ATOM 92 C TRP A 7 3.247 19.731 16.835 1.00 11.44 C ATOM 93 O TRP A 7 4.253 20.261 17.330 1.00 11.13 O ATOM 94 CB TRP A 7 3.145 17.756 18.384 1.00 9.58 C ATOM 95 CG TRP A 7 3.332 16.517 17.567 1.00 9.41 C ATOM 96 CD1 TRP A 7 2.667 15.343 17.729 1.00 10.79 C ATOM 97 CD2 TRP A 7 4.242 16.315 16.469 1.00 10.52 C ATOM 98 NE1 TRP A 7 3.087 14.429 16.801 1.00 10.89 N ATOM 99 CE2 TRP A 7 4.050 14.998 16.011 1.00 11.33 C ATOM 100 CE3 TRP A 7 5.179 17.129 15.817 1.00 11.00 C ATOM 101 CZ2 TRP A 7 4.783 14.453 14.928 1.00 13.15 C ATOM 102 CZ3 TRP A 7 5.904 16.597 14.739 1.00 12.24 C ATOM 103 CH2 TRP A 7 5.692 15.274 14.301 1.00 12.43 C ATOM 104 HA TRP A 7 1.891 19.496 18.473 1.00 0.00 H ATOM 105 HB2 TRP A 7 4.130 18.160 18.618 1.00 0.00 H ATOM 106 HB3 TRP A 7 2.639 17.479 19.309 1.00 0.00 H ATOM 107 HE1 TRP A 7 2.731 13.456 16.710 1.00 0.00 H ATOM 108 HD1 TRP A 7 1.908 15.156 18.489 1.00 0.00 H ATOM 109 HZ2 TRP A 7 4.633 13.423 14.604 1.00 0.00 H ATOM 110 HH2 TRP A 7 6.258 14.895 13.450 1.00 0.00 H ATOM 111 HZ3 TRP A 7 6.643 17.217 14.232 1.00 0.00 H ATOM 112 HE3 TRP A 7 5.342 18.157 16.141 1.00 0.00 H ATOM 113 H TRP A 7 1.243 17.380 16.520 1.00 0.00 H ATOM 114 N TYR A 8 2.944 19.852 15.541 1.00 10.38 N ATOM 115 CA TYR A 8 3.769 20.676 14.689 1.00 11.40 C ATOM 116 C TYR A 8 3.201 22.087 14.690 1.00 11.66 C ATOM 117 O TYR A 8 2.126 22.340 14.118 1.00 13.38 O ATOM 118 CB TYR A 8 3.822 20.145 13.268 1.00 12.05 C ATOM 119 CG TYR A 8 4.775 20.959 12.420 1.00 15.55 C ATOM 120 CD1 TYR A 8 6.164 20.913 12.671 1.00 16.26 C ATOM 121 CD2 TYR A 8 4.310 21.825 11.421 1.00 14.84 C ATOM 122 CE1 TYR A 8 7.056 21.716 11.965 1.00 17.70 C ATOM 123 CE2 TYR A 8 5.211 22.636 10.693 1.00 16.96 C ATOM 124 CZ TYR A 8 6.578 22.569 10.981 1.00 17.73 C ATOM 125 OH TYR A 8 7.482 23.359 10.305 1.00 20.75 O ATOM 126 HA TYR A 8 4.788 20.668 15.076 1.00 0.00 H ATOM 127 HB3 TYR A 8 2.825 20.195 12.831 1.00 0.00 H ATOM 128 HB2 TYR A 8 4.158 19.108 13.287 1.00 0.00 H ATOM 129 HD2 TYR A 8 3.243 21.874 11.203 1.00 0.00 H ATOM 130 HE2 TYR A 8 4.844 23.306 9.916 1.00 0.00 H ATOM 131 HE1 TYR A 8 8.123 21.675 12.184 1.00 0.00 H ATOM 132 HD1 TYR A 8 6.546 20.234 13.434 1.00 0.00 H ATOM 133 HH TYR A 8 7.260 24.312 10.452 1.00 0.00 H ATOM 134 H TYR A 8 2.119 19.356 15.148 1.00 0.00 H ATOM 135 N PHE A 9 3.904 23.012 15.321 1.00 10.46 N ATOM 136 CA PHE A 9 3.426 24.393 15.407 1.00 11.48 C ATOM 137 C PHE A 9 3.947 25.287 14.297 1.00 12.48 C ATOM 138 O PHE A 9 3.606 26.466 14.241 1.00 12.73 O ATOM 139 CB PHE A 9 3.726 25.009 16.786 1.00 12.94 C ATOM 140 CG PHE A 9 2.852 24.477 17.910 1.00 12.50 C ATOM 141 CD1 PHE A 9 2.402 23.149 17.920 1.00 12.36 C ATOM 142 CD2 PHE A 9 2.497 25.303 18.978 1.00 14.56 C ATOM 143 CE1 PHE A 9 1.617 22.657 18.991 1.00 11.85 C ATOM 144 CE2 PHE A 9 1.712 24.813 20.053 1.00 13.85 C ATOM 145 CZ PHE A 9 1.273 23.484 20.055 1.00 11.60 C ATOM 146 HA PHE A 9 2.345 24.336 15.275 1.00 0.00 H ATOM 147 HB2 PHE A 9 4.767 24.801 17.034 1.00 0.00 H ATOM 148 HB3 PHE A 9 3.578 26.087 16.719 1.00 0.00 H ATOM 149 HD2 PHE A 9 2.828 26.341 18.986 1.00 0.00 H ATOM 150 HE2 PHE A 9 1.450 25.473 20.880 1.00 0.00 H ATOM 151 HZ PHE A 9 0.670 23.102 20.879 1.00 0.00 H ATOM 152 HE1 PHE A 9 1.279 21.621 18.981 1.00 0.00 H ATOM 153 HD1 PHE A 9 2.660 22.487 17.093 1.00 0.00 H ATOM 154 H PHE A 9 4.810 22.755 15.763 1.00 0.00 H ATOM 155 N GLY A 10 4.777 24.732 13.422 1.00 12.35 N ATOM 156 CA GLY A 10 5.292 25.517 12.315 1.00 14.17 C ATOM 157 C GLY A 10 6.138 26.744 12.654 1.00 15.03 C ATOM 158 O GLY A 10 7.024 26.730 13.491 1.00 12.66 O ATOM 159 HA3 GLY A 10 4.437 25.860 11.732 1.00 0.00 H ATOM 160 HA2 GLY A 10 5.906 24.856 11.703 1.00 0.00 H ATOM 161 H GLY A 10 5.058 23.736 13.530 1.00 0.00 H ATOM 162 N LYS A 11 5.812 27.844 12.002 1.00 15.85 N ATOM 163 CA LYS A 11 6.540 29.076 12.193 1.00 17.78 C ATOM 164 C LYS A 11 6.157 29.910 13.421 1.00 17.72 C ATOM 165 O LYS A 11 5.404 30.870 13.300 1.00 19.94 O ATOM 166 CB LYS A 11 6.436 29.918 10.921 1.00 19.75 C ATOM 167 CG LYS A 11 7.417 31.076 10.848 1.00 25.74 C ATOM 168 CD LYS A 11 7.085 32.040 9.683 1.00 28.01 C ATOM 169 CE LYS A 11 8.216 33.068 9.464 1.00 30.00 C ATOM 170 NZ LYS A 11 7.823 34.119 8.453 1.00 29.62 N ATOM 171 HA LYS A 11 7.567 28.774 12.397 1.00 0.00 H ATOM 172 HB2 LYS A 11 6.614 29.266 10.066 1.00 0.00 H ATOM 173 HB3 LYS A 11 5.426 30.323 10.863 1.00 0.00 H ATOM 174 HG2 LYS A 11 7.379 31.630 11.786 1.00 0.00 H ATOM 175 HG3 LYS A 11 8.422 30.679 10.702 1.00 0.00 H ATOM 176 HD2 LYS A 11 6.950 31.460 8.770 1.00 0.00 H ATOM 177 HD3 LYS A 11 6.162 32.572 9.914 1.00 0.00 H ATOM 178 HE2 LYS A 11 9.104 32.547 9.106 1.00 0.00 H ATOM 179 HE3 LYS A 11 8.440 33.556 10.413 1.00 0.00 H ATOM 180 HZ1 LYS A 11 7.613 33.662 7.543 1.00 0.00 H ATOM 181 HZ2 LYS A 11 6.979 34.625 8.791 1.00 0.00 H ATOM 182 HZ3 LYS A 11 8.607 34.792 8.332 1.00 0.00 H ATOM 183 H LYS A 11 5.013 27.823 11.336 1.00 0.00 H ATOM 184 N ILE A 12 6.551 29.474 14.609 1.00 15.95 N ATOM 185 CA ILE A 12 6.325 30.286 15.804 1.00 14.64 C ATOM 186 C ILE A 12 7.730 30.552 16.357 1.00 14.51 C ATOM 187 O ILE A 12 8.663 29.796 16.036 1.00 12.99 O ATOM 188 CB ILE A 12 5.402 29.647 16.877 1.00 16.29 C ATOM 189 CG1 ILE A 12 5.996 28.366 17.440 1.00 15.33 C ATOM 190 CG2 ILE A 12 3.989 29.441 16.315 1.00 16.21 C ATOM 191 CD1 ILE A 12 5.371 28.008 18.757 1.00 17.15 C ATOM 192 HA ILE A 12 5.781 31.192 15.536 1.00 0.00 H ATOM 193 HB ILE A 12 5.323 30.338 17.716 1.00 0.00 H ATOM 194 HG12 ILE A 12 5.825 27.554 16.733 1.00 0.00 H ATOM 195 HG13 ILE A 12 7.068 28.503 17.581 1.00 0.00 H ATOM 196 HD11 ILE A 12 5.543 28.814 19.471 1.00 0.00 H ATOM 197 HD12 ILE A 12 4.299 27.864 18.622 1.00 0.00 H ATOM 198 HD13 ILE A 12 5.818 27.087 19.132 1.00 0.00 H ATOM 199 HG21 ILE A 12 3.574 30.404 16.017 1.00 0.00 H ATOM 200 HG22 ILE A 12 4.037 28.781 15.449 1.00 0.00 H ATOM 201 HG23 ILE A 12 3.357 28.992 17.081 1.00 0.00 H ATOM 202 H ILE A 12 7.023 28.551 14.692 1.00 0.00 H ATOM 203 N THR A 13 7.896 31.646 17.108 1.00 13.45 N ATOM 204 CA THR A 13 9.201 32.015 17.653 1.00 12.11 C ATOM 205 C THR A 13 9.579 31.222 18.884 1.00 12.62 C ATOM 206 O THR A 13 8.778 30.535 19.488 1.00 11.25 O ATOM 207 CB THR A 13 9.292 33.500 18.068 1.00 11.69 C ATOM 208 OG1 THR A 13 8.437 33.742 19.187 1.00 11.77 O ATOM 209 CG2 THR A 13 8.911 34.425 16.911 1.00 13.37 C ATOM 210 HA THR A 13 9.880 31.800 16.828 1.00 0.00 H ATOM 211 HB THR A 13 10.325 33.713 18.344 1.00 0.00 H ATOM 212 HG1 THR A 13 8.499 34.695 19.448 1.00 0.00 H ATOM 213 HG23 THR A 13 9.568 34.233 16.063 1.00 0.00 H ATOM 214 HG21 THR A 13 7.877 34.236 16.622 1.00 0.00 H ATOM 215 HG22 THR A 13 9.017 35.463 17.227 1.00 0.00 H ATOM 216 H THR A 13 7.074 32.251 17.310 1.00 0.00 H ATOM 217 N ARG A 14 10.831 31.387 19.264 1.00 13.08 N ATOM 218 CA ARG A 14 11.389 30.751 20.433 1.00 13.11 C ATOM 219 C ARG A 14 10.674 31.282 21.679 1.00 12.34 C ATOM 220 O ARG A 14 10.260 30.507 22.520 1.00 11.14 O ATOM 221 CB ARG A 14 12.875 31.076 20.450 1.00 12.90 C ATOM 222 CG ARG A 14 13.620 30.579 21.606 1.00 16.15 C ATOM 223 CD ARG A 14 15.053 30.982 21.370 1.00 21.14 C ATOM 224 NE ARG A 14 15.782 30.546 22.512 1.00 24.63 N ATOM 225 CZ ARG A 14 16.421 29.397 22.555 1.00 25.59 C ATOM 226 NH1 ARG A 14 17.010 29.063 23.687 1.00 28.40 N ATOM 227 NH2 ARG A 14 16.575 28.663 21.452 1.00 25.95 N ATOM 228 HA ARG A 14 11.256 29.669 20.417 1.00 0.00 H ATOM 229 HB2 ARG A 14 13.322 30.647 19.553 1.00 0.00 H ATOM 230 HB3 ARG A 14 12.981 32.161 20.424 1.00 0.00 H ATOM 231 HG2 ARG A 14 13.244 31.031 22.524 1.00 0.00 H ATOM 232 HG3 ARG A 14 13.536 29.494 21.675 1.00 0.00 H ATOM 233 HD2 ARG A 14 15.129 32.064 21.264 1.00 0.00 H ATOM 234 HD3 ARG A 14 15.437 30.502 20.470 1.00 0.00 H ATOM 235 HE ARG A 14 15.811 31.163 23.349 1.00 0.00 H ATOM 236 HH12 ARG A 14 17.525 28.162 23.759 1.00 0.00 H ATOM 237 HH11 ARG A 14 16.960 29.700 24.507 1.00 0.00 H ATOM 238 HH22 ARG A 14 17.082 27.756 21.497 1.00 0.00 H ATOM 239 HH21 ARG A 14 16.188 28.998 20.546 1.00 0.00 H ATOM 240 H ARG A 14 11.445 32.004 18.695 1.00 0.00 H ATOM 241 N ARG A 15 10.508 32.608 21.763 1.00 12.23 N ATOM 242 CA ARG A 15 9.837 33.245 22.906 1.00 12.73 C ATOM 243 C ARG A 15 8.389 32.744 23.028 1.00 11.79 C ATOM 244 O ARG A 15 7.889 32.492 24.121 1.00 12.23 O ATOM 245 CB ARG A 15 9.822 34.782 22.753 1.00 12.65 C ATOM 246 CG ARG A 15 9.051 35.477 23.877 1.00 15.21 C ATOM 247 CD ARG A 15 9.216 37.001 23.869 1.00 18.49 C ATOM 248 NE ARG A 15 8.458 37.681 24.934 1.00 19.55 N ATOM 249 CZ ARG A 15 8.915 37.907 26.170 1.00 22.83 C ATOM 250 NH1 ARG A 15 10.140 37.508 26.514 1.00 22.96 N ATOM 251 NH2 ARG A 15 8.160 38.552 27.066 1.00 23.30 N ATOM 252 HA ARG A 15 10.395 32.979 23.804 1.00 0.00 H ATOM 253 HB2 ARG A 15 10.850 35.144 22.759 1.00 0.00 H ATOM 254 HB3 ARG A 15 9.355 35.034 21.801 1.00 0.00 H ATOM 255 HG2 ARG A 15 7.992 35.242 23.768 1.00 0.00 H ATOM 256 HG3 ARG A 15 9.410 35.094 24.832 1.00 0.00 H ATOM 257 HD2 ARG A 15 8.874 37.380 22.906 1.00 0.00 H ATOM 258 HD3 ARG A 15 10.273 37.234 23.995 1.00 0.00 H ATOM 259 HE ARG A 15 7.497 38.009 24.708 1.00 0.00 H ATOM 260 HH12 ARG A 15 10.494 37.685 27.476 1.00 0.00 H ATOM 261 HH11 ARG A 15 10.742 37.020 25.820 1.00 0.00 H ATOM 262 HH22 ARG A 15 8.524 38.723 28.025 1.00 0.00 H ATOM 263 HH21 ARG A 15 7.209 38.882 26.804 1.00 0.00 H ATOM 264 H ARG A 15 10.866 33.208 20.993 1.00 0.00 H ATOM 265 N GLU A 16 7.723 32.624 21.889 1.00 11.83 N ATOM 266 CA GLU A 16 6.343 32.147 21.851 1.00 12.36 C ATOM 267 C GLU A 16 6.270 30.692 22.347 1.00 11.31 C ATOM 268 O GLU A 16 5.409 30.353 23.222 1.00 10.36 O ATOM 269 CB GLU A 16 5.758 32.321 20.432 1.00 14.46 C ATOM 270 CG GLU A 16 4.330 31.791 20.211 1.00 15.83 C ATOM 271 CD GLU A 16 3.278 32.404 21.136 1.00 19.17 C ATOM 272 OE1 GLU A 16 2.120 31.939 21.058 1.00 21.68 O ATOM 273 OE2 GLU A 16 3.574 33.301 21.954 1.00 19.87 O ATOM 274 HA GLU A 16 5.730 32.745 22.525 1.00 0.00 H ATOM 275 HB2 GLU A 16 5.756 33.386 20.202 1.00 0.00 H ATOM 276 HB3 GLU A 16 6.416 31.802 19.736 1.00 0.00 H ATOM 277 HG2 GLU A 16 4.043 32.002 19.181 1.00 0.00 H ATOM 278 HG3 GLU A 16 4.338 30.713 20.371 1.00 0.00 H ATOM 279 H GLU A 16 8.196 32.876 20.998 1.00 0.00 H ATOM 280 N SER A 17 7.193 29.849 21.878 1.00 9.93 N ATOM 281 CA SER A 17 7.198 28.469 22.351 1.00 9.99 C ATOM 282 C SER A 17 7.375 28.441 23.872 1.00 9.64 C ATOM 283 O SER A 17 6.748 27.620 24.559 1.00 9.37 O ATOM 284 CB SER A 17 8.265 27.623 21.625 1.00 10.56 C ATOM 285 OG SER A 17 9.584 27.927 22.067 1.00 12.25 O ATOM 286 HA SER A 17 6.236 28.015 22.113 1.00 0.00 H ATOM 287 HB2 SER A 17 8.199 27.818 20.555 1.00 0.00 H ATOM 288 HB3 SER A 17 8.065 26.568 21.814 1.00 0.00 H ATOM 289 HG SER A 17 9.777 28.882 21.893 1.00 0.00 H ATOM 290 H SER A 17 7.898 30.172 21.185 1.00 0.00 H ATOM 291 N GLU A 18 8.181 29.355 24.422 1.00 8.77 N ATOM 292 CA GLU A 18 8.393 29.388 25.858 1.00 10.57 C ATOM 293 C GLU A 18 7.161 29.878 26.601 1.00 11.18 C ATOM 294 O GLU A 18 6.870 29.413 27.675 1.00 11.45 O ATOM 295 CB GLU A 18 9.632 30.218 26.214 1.00 12.78 C ATOM 296 CG GLU A 18 10.891 29.592 25.620 1.00 14.49 C ATOM 297 CD GLU A 18 12.138 30.459 25.742 1.00 18.44 C ATOM 298 OE1 GLU A 18 13.239 29.888 25.651 1.00 17.11 O ATOM 299 OE2 GLU A 18 12.050 31.688 25.921 1.00 18.57 O ATOM 300 HA GLU A 18 8.574 28.364 26.184 1.00 0.00 H ATOM 301 HB2 GLU A 18 9.513 31.227 25.818 1.00 0.00 H ATOM 302 HB3 GLU A 18 9.733 30.264 27.298 1.00 0.00 H ATOM 303 HG2 GLU A 18 11.079 28.649 26.133 1.00 0.00 H ATOM 304 HG3 GLU A 18 10.711 29.399 24.562 1.00 0.00 H ATOM 305 H GLU A 18 8.661 30.050 23.815 1.00 0.00 H ATOM 306 N ARG A 19 6.440 30.820 26.006 1.00 11.74 N ATOM 307 CA ARG A 19 5.223 31.340 26.640 1.00 13.28 C ATOM 308 C ARG A 19 4.199 30.172 26.785 1.00 11.96 C ATOM 309 O ARG A 19 3.638 29.946 27.859 1.00 12.40 O ATOM 310 CB ARG A 19 4.644 32.499 25.788 1.00 13.28 C ATOM 311 CG ARG A 19 3.531 33.281 26.478 1.00 14.11 C ATOM 312 CD ARG A 19 2.843 34.269 25.538 1.00 16.79 C ATOM 313 NE ARG A 19 2.190 33.615 24.401 1.00 20.08 N ATOM 314 CZ ARG A 19 0.999 33.024 24.452 1.00 20.74 C ATOM 315 NH1 ARG A 19 0.312 32.996 25.592 1.00 21.73 N ATOM 316 NH2 ARG A 19 0.481 32.481 23.359 1.00 21.59 N ATOM 317 HA ARG A 19 5.446 31.736 27.630 1.00 0.00 H ATOM 318 HB2 ARG A 19 5.454 33.190 25.553 1.00 0.00 H ATOM 319 HB3 ARG A 19 4.246 32.080 24.864 1.00 0.00 H ATOM 320 HG2 ARG A 19 2.787 32.577 26.851 1.00 0.00 H ATOM 321 HG3 ARG A 19 3.958 33.833 27.315 1.00 0.00 H ATOM 322 HD2 ARG A 19 3.590 34.965 25.157 1.00 0.00 H ATOM 323 HD3 ARG A 19 2.090 34.819 26.102 1.00 0.00 H ATOM 324 HE ARG A 19 2.693 33.613 23.490 1.00 0.00 H ATOM 325 HH12 ARG A 19 -0.619 32.533 25.627 1.00 0.00 H ATOM 326 HH11 ARG A 19 0.706 33.437 26.447 1.00 0.00 H ATOM 327 HH22 ARG A 19 -0.450 32.019 23.399 1.00 0.00 H ATOM 328 HH21 ARG A 19 1.006 32.517 22.462 1.00 0.00 H ATOM 329 H ARG A 19 6.740 31.193 25.083 1.00 0.00 H ATOM 330 N LEU A 20 4.035 29.406 25.715 1.00 11.85 N ATOM 331 CA LEU A 20 3.124 28.277 25.698 1.00 12.70 C ATOM 332 C LEU A 20 3.523 27.167 26.665 1.00 13.50 C ATOM 333 O LEU A 20 2.668 26.607 27.373 1.00 13.15 O ATOM 334 CB LEU A 20 3.021 27.678 24.292 1.00 13.84 C ATOM 335 CG LEU A 20 2.471 28.593 23.201 1.00 15.25 C ATOM 336 CD1 LEU A 20 2.309 27.805 21.930 1.00 16.67 C ATOM 337 CD2 LEU A 20 1.158 29.207 23.638 1.00 16.52 C ATOM 338 HA LEU A 20 2.161 28.676 26.017 1.00 0.00 H ATOM 339 HB2 LEU A 20 4.021 27.366 23.990 1.00 0.00 H ATOM 340 HB3 LEU A 20 2.372 26.804 24.351 1.00 0.00 H ATOM 341 HG LEU A 20 3.170 29.409 23.021 1.00 0.00 H ATOM 342 HD21 LEU A 20 0.436 28.415 23.835 1.00 0.00 H ATOM 343 HD22 LEU A 20 1.315 29.791 24.545 1.00 0.00 H ATOM 344 HD23 LEU A 20 0.781 29.856 22.848 1.00 0.00 H ATOM 345 HD11 LEU A 20 3.277 27.410 21.623 1.00 0.00 H ATOM 346 HD12 LEU A 20 1.616 26.981 22.101 1.00 0.00 H ATOM 347 HD13 LEU A 20 1.916 28.455 21.148 1.00 0.00 H ATOM 348 H LEU A 20 4.580 29.623 24.856 1.00 0.00 H ATOM 349 N LEU A 21 4.804 26.806 26.682 1.00 12.73 N ATOM 350 CA LEU A 21 5.283 25.731 27.557 1.00 12.65 C ATOM 351 C LEU A 21 5.377 26.081 29.041 1.00 13.15 C ATOM 352 O LEU A 21 5.278 25.198 29.877 1.00 14.23 O ATOM 353 CB LEU A 21 6.631 25.180 27.040 1.00 10.71 C ATOM 354 CG LEU A 21 6.489 24.421 25.700 1.00 10.95 C ATOM 355 CD1 LEU A 21 7.799 24.436 24.909 1.00 9.62 C ATOM 356 CD2 LEU A 21 5.943 22.994 25.932 1.00 8.83 C ATOM 357 HA LEU A 21 4.512 24.962 27.506 1.00 0.00 H ATOM 358 HB2 LEU A 21 7.318 26.014 26.898 1.00 0.00 H ATOM 359 HB3 LEU A 21 7.039 24.498 27.786 1.00 0.00 H ATOM 360 HG LEU A 21 5.756 24.942 25.084 1.00 0.00 H ATOM 361 HD21 LEU A 21 6.629 22.444 26.577 1.00 0.00 H ATOM 362 HD22 LEU A 21 4.964 23.054 26.408 1.00 0.00 H ATOM 363 HD23 LEU A 21 5.852 22.481 24.975 1.00 0.00 H ATOM 364 HD11 LEU A 21 8.081 25.467 24.695 1.00 0.00 H ATOM 365 HD12 LEU A 21 8.582 23.958 25.497 1.00 0.00 H ATOM 366 HD13 LEU A 21 7.663 23.894 23.973 1.00 0.00 H ATOM 367 H LEU A 21 5.479 27.297 26.062 1.00 0.00 H ATOM 368 N LEU A 22 5.554 27.361 29.367 1.00 13.88 N ATOM 369 CA LEU A 22 5.686 27.777 30.750 1.00 15.76 C ATOM 370 C LEU A 22 4.325 27.912 31.394 1.00 17.57 C ATOM 371 O LEU A 22 4.005 28.914 31.981 1.00 19.94 O ATOM 372 CB LEU A 22 6.478 29.085 30.847 1.00 16.25 C ATOM 373 CG LEU A 22 7.968 28.982 30.504 1.00 16.90 C ATOM 374 CD1 LEU A 22 8.569 30.353 30.366 1.00 16.02 C ATOM 375 CD2 LEU A 22 8.687 28.145 31.567 1.00 17.59 C ATOM 376 HA LEU A 22 6.240 27.011 31.292 1.00 0.00 H ATOM 377 HB2 LEU A 22 6.025 29.804 30.164 1.00 0.00 H ATOM 378 HB3 LEU A 22 6.393 29.454 31.869 1.00 0.00 H ATOM 379 HG LEU A 22 8.088 28.479 29.544 1.00 0.00 H ATOM 380 HD21 LEU A 22 8.572 28.621 32.541 1.00 0.00 H ATOM 381 HD22 LEU A 22 8.253 27.146 31.596 1.00 0.00 H ATOM 382 HD23 LEU A 22 9.746 28.075 31.318 1.00 0.00 H ATOM 383 HD11 LEU A 22 8.057 30.894 29.570 1.00 0.00 H ATOM 384 HD12 LEU A 22 8.457 30.894 31.306 1.00 0.00 H ATOM 385 HD13 LEU A 22 9.627 30.261 30.122 1.00 0.00 H ATOM 386 H LEU A 22 5.598 28.077 28.614 1.00 0.00 H ATOM 387 N ASN A 23 3.542 26.853 31.300 1.00 19.21 N ATOM 388 CA ASN A 23 2.197 26.837 31.855 1.00 19.50 C ATOM 389 C ASN A 23 2.205 25.859 33.011 1.00 18.65 C ATOM 390 O ASN A 23 2.551 24.698 32.836 1.00 17.70 O ATOM 391 CB ASN A 23 1.231 26.407 30.754 1.00 22.18 C ATOM 392 CG ASN A 23 -0.190 26.287 31.249 1.00 25.30 C ATOM 393 OD1 ASN A 23 -0.433 25.968 32.407 1.00 23.90 O ATOM 394 ND2 ASN A 23 -1.139 26.553 30.364 1.00 27.93 N ATOM 395 HA ASN A 23 1.880 27.815 32.217 1.00 0.00 H ATOM 396 HB2 ASN A 23 1.262 27.146 29.953 1.00 0.00 H ATOM 397 HB3 ASN A 23 1.550 25.439 30.367 1.00 0.00 H ATOM 398 HD22 ASN A 23 -0.883 26.820 29.392 1.00 0.00 H ATOM 399 HD21 ASN A 23 -2.140 26.495 30.641 1.00 0.00 H ATOM 400 H ASN A 23 3.897 26.005 30.815 1.00 0.00 H ATOM 401 N ALA A 24 1.826 26.338 34.191 1.00 19.02 N ATOM 402 CA ALA A 24 1.823 25.552 35.428 1.00 20.07 C ATOM 403 C ALA A 24 1.147 24.189 35.367 1.00 20.04 C ATOM 404 O ALA A 24 1.482 23.297 36.133 1.00 20.62 O ATOM 405 CB ALA A 24 1.244 26.373 36.593 1.00 21.70 C ATOM 406 HA ALA A 24 2.877 25.327 35.591 1.00 0.00 H ATOM 407 HB1 ALA A 24 1.851 27.266 36.744 1.00 0.00 H ATOM 408 HB2 ALA A 24 0.220 26.664 36.357 1.00 0.00 H ATOM 409 HB3 ALA A 24 1.252 25.769 37.500 1.00 0.00 H ATOM 410 H ALA A 24 1.513 27.329 34.240 1.00 0.00 H ATOM 411 N GLU A 25 0.199 24.039 34.450 1.00 19.69 N ATOM 412 CA GLU A 25 -0.500 22.774 34.314 1.00 19.92 C ATOM 413 C GLU A 25 0.240 21.809 33.421 1.00 17.84 C ATOM 414 O GLU A 25 -0.186 20.646 33.287 1.00 17.50 O ATOM 415 CB GLU A 25 -1.915 23.004 33.784 1.00 22.78 C ATOM 416 CG GLU A 25 -2.850 23.526 34.875 1.00 28.40 C ATOM 417 CD GLU A 25 -4.182 23.989 34.314 1.00 31.04 C ATOM 418 OE1 GLU A 25 -4.685 23.336 33.380 1.00 33.50 O ATOM 419 OE2 GLU A 25 -4.713 25.023 34.798 1.00 32.13 O ATOM 420 HA GLU A 25 -0.554 22.325 35.306 1.00 0.00 H ATOM 421 HB2 GLU A 25 -1.875 23.733 32.974 1.00 0.00 H ATOM 422 HB3 GLU A 25 -2.308 22.061 33.403 1.00 0.00 H ATOM 423 HG2 GLU A 25 -3.030 22.728 35.595 1.00 0.00 H ATOM 424 HG3 GLU A 25 -2.369 24.365 35.378 1.00 0.00 H ATOM 425 H GLU A 25 -0.045 24.833 33.825 1.00 0.00 H ATOM 426 N ASN A 26 1.330 22.264 32.794 1.00 14.64 N ATOM 427 CA ASN A 26 2.094 21.372 31.911 1.00 13.31 C ATOM 428 C ASN A 26 3.005 20.424 32.690 1.00 12.23 C ATOM 429 O ASN A 26 3.858 20.878 33.449 1.00 11.14 O ATOM 430 CB ASN A 26 2.978 22.156 30.925 1.00 11.34 C ATOM 431 CG ASN A 26 2.187 22.855 29.848 1.00 11.83 C ATOM 432 OD1 ASN A 26 1.057 22.479 29.548 1.00 12.35 O ATOM 433 ND2 ASN A 26 2.791 23.860 29.230 1.00 10.73 N ATOM 434 HA ASN A 26 1.342 20.799 31.368 1.00 0.00 H ATOM 435 HB2 ASN A 26 3.541 22.904 31.483 1.00 0.00 H ATOM 436 HB3 ASN A 26 3.671 21.460 30.451 1.00 0.00 H ATOM 437 HD22 ASN A 26 3.749 24.146 29.516 1.00 0.00 H ATOM 438 HD21 ASN A 26 2.307 24.363 28.459 1.00 0.00 H ATOM 439 H ASN A 26 1.637 23.248 32.931 1.00 0.00 H ATOM 440 N PRO A 27 2.760 19.104 32.600 1.00 11.39 N ATOM 441 CA PRO A 27 3.664 18.204 33.327 1.00 11.46 C ATOM 442 C PRO A 27 4.972 18.101 32.476 1.00 10.37 C ATOM 443 O PRO A 27 5.030 18.626 31.311 1.00 10.19 O ATOM 444 CB PRO A 27 2.888 16.866 33.347 1.00 11.95 C ATOM 445 CG PRO A 27 2.096 16.884 32.129 1.00 14.77 C ATOM 446 CD PRO A 27 1.653 18.361 31.967 1.00 13.79 C ATOM 447 HA PRO A 27 3.940 18.516 34.334 1.00 0.00 H ATOM 448 HD3 PRO A 27 1.551 18.628 30.915 1.00 0.00 H ATOM 449 HD2 PRO A 27 0.710 18.547 32.481 1.00 0.00 H ATOM 450 HG3 PRO A 27 1.229 16.231 32.225 1.00 0.00 H ATOM 451 HG2 PRO A 27 2.696 16.567 31.276 1.00 0.00 H ATOM 452 HB2 PRO A 27 3.577 16.021 33.346 1.00 0.00 H ATOM 453 HB3 PRO A 27 2.244 16.807 34.224 1.00 0.00 H ATOM 454 N ARG A 28 6.004 17.457 33.019 1.00 8.94 N ATOM 455 CA ARG A 28 7.267 17.298 32.300 1.00 8.93 C ATOM 456 C ARG A 28 7.069 16.562 30.990 1.00 8.11 C ATOM 457 O ARG A 28 6.303 15.624 30.928 1.00 9.17 O ATOM 458 CB ARG A 28 8.244 16.523 33.164 1.00 8.55 C ATOM 459 CG ARG A 28 8.610 17.274 34.403 1.00 12.02 C ATOM 460 CD ARG A 28 9.626 16.506 35.153 1.00 17.01 C ATOM 461 NE ARG A 28 8.976 15.556 36.036 1.00 24.77 N ATOM 462 CZ ARG A 28 9.562 14.460 36.517 1.00 29.59 C ATOM 463 NH1 ARG A 28 10.829 14.167 36.172 1.00 30.06 N ATOM 464 NH2 ARG A 28 8.924 13.725 37.440 1.00 30.22 N ATOM 465 HA ARG A 28 7.659 18.291 32.080 1.00 0.00 H ATOM 466 HB2 ARG A 28 7.788 15.575 33.448 1.00 0.00 H ATOM 467 HB3 ARG A 28 9.149 16.331 32.588 1.00 0.00 H ATOM 468 HG2 ARG A 28 9.015 18.249 34.133 1.00 0.00 H ATOM 469 HG3 ARG A 28 7.724 17.410 35.023 1.00 0.00 H ATOM 470 HD2 ARG A 28 10.234 17.191 35.744 1.00 0.00 H ATOM 471 HD3 ARG A 28 10.264 15.969 34.451 1.00 0.00 H ATOM 472 HE ARG A 28 7.990 15.742 36.311 1.00 0.00 H ATOM 473 HH12 ARG A 28 11.286 13.312 36.548 1.00 0.00 H ATOM 474 HH11 ARG A 28 11.352 14.796 35.530 1.00 0.00 H ATOM 475 HH22 ARG A 28 9.372 12.868 37.822 1.00 0.00 H ATOM 476 HH21 ARG A 28 7.982 14.012 37.773 1.00 0.00 H ATOM 477 H ARG A 28 5.909 17.059 33.975 1.00 0.00 H ATOM 478 N GLY A 29 7.783 16.970 29.948 1.00 6.92 N ATOM 479 CA GLY A 29 7.621 16.310 28.672 1.00 7.50 C ATOM 480 C GLY A 29 6.608 16.918 27.723 1.00 5.59 C ATOM 481 O GLY A 29 6.496 16.465 26.586 1.00 7.24 O ATOM 482 HA3 GLY A 29 7.318 15.281 28.867 1.00 0.00 H ATOM 483 HA2 GLY A 29 8.589 16.314 28.171 1.00 0.00 H ATOM 484 H GLY A 29 8.454 17.758 30.049 1.00 0.00 H ATOM 485 N THR A 30 5.877 17.942 28.169 1.00 5.61 N ATOM 486 CA THR A 30 4.928 18.621 27.287 1.00 6.12 C ATOM 487 C THR A 30 5.803 19.202 26.163 1.00 7.31 C ATOM 488 O THR A 30 6.877 19.734 26.446 1.00 8.02 O ATOM 489 CB THR A 30 4.130 19.709 28.049 1.00 6.28 C ATOM 490 OG1 THR A 30 3.369 19.088 29.112 1.00 7.86 O ATOM 491 CG2 THR A 30 3.177 20.436 27.098 1.00 6.58 C ATOM 492 HA THR A 30 4.164 17.952 26.891 1.00 0.00 H ATOM 493 HB THR A 30 4.829 20.433 28.467 1.00 0.00 H ATOM 494 HG1 THR A 30 3.988 18.632 29.736 1.00 0.00 H ATOM 495 HG23 THR A 30 3.751 20.903 26.298 1.00 0.00 H ATOM 496 HG21 THR A 30 2.474 19.720 26.672 1.00 0.00 H ATOM 497 HG22 THR A 30 2.630 21.201 27.649 1.00 0.00 H ATOM 498 H THR A 30 5.983 18.260 29.153 1.00 0.00 H ATOM 499 N PHE A 31 5.348 19.145 24.912 1.00 5.94 N ATOM 500 CA PHE A 31 6.187 19.564 23.828 1.00 6.77 C ATOM 501 C PHE A 31 5.493 20.065 22.586 1.00 8.73 C ATOM 502 O PHE A 31 4.271 19.963 22.440 1.00 9.06 O ATOM 503 CB PHE A 31 7.064 18.367 23.414 1.00 6.98 C ATOM 504 CG PHE A 31 6.309 17.301 22.633 1.00 7.68 C ATOM 505 CD1 PHE A 31 6.374 17.272 21.232 1.00 6.96 C ATOM 506 CD2 PHE A 31 5.493 16.364 23.299 1.00 7.63 C ATOM 507 CE1 PHE A 31 5.633 16.333 20.484 1.00 7.91 C ATOM 508 CE2 PHE A 31 4.744 15.414 22.564 1.00 7.31 C ATOM 509 CZ PHE A 31 4.813 15.398 21.162 1.00 6.50 C ATOM 510 HA PHE A 31 6.739 20.419 24.218 1.00 0.00 H ATOM 511 HB2 PHE A 31 7.881 18.736 22.793 1.00 0.00 H ATOM 512 HB3 PHE A 31 7.472 17.910 24.316 1.00 0.00 H ATOM 513 HD2 PHE A 31 5.438 16.371 24.388 1.00 0.00 H ATOM 514 HE2 PHE A 31 4.114 14.695 23.087 1.00 0.00 H ATOM 515 HZ PHE A 31 4.236 14.667 20.596 1.00 0.00 H ATOM 516 HE1 PHE A 31 5.691 16.327 19.396 1.00 0.00 H ATOM 517 HD1 PHE A 31 7.009 17.989 20.711 1.00 0.00 H ATOM 518 H PHE A 31 4.386 18.797 24.722 1.00 0.00 H ATOM 519 N LEU A 32 6.310 20.584 21.667 1.00 8.50 N ATOM 520 CA LEU A 32 5.877 21.063 20.357 1.00 8.63 C ATOM 521 C LEU A 32 7.124 21.059 19.451 1.00 8.71 C ATOM 522 O LEU A 32 8.255 21.055 19.966 1.00 8.05 O ATOM 523 CB LEU A 32 5.274 22.479 20.463 1.00 7.88 C ATOM 524 CG LEU A 32 6.167 23.621 20.968 1.00 9.20 C ATOM 525 CD1 LEU A 32 6.892 24.278 19.768 1.00 8.25 C ATOM 526 CD2 LEU A 32 5.347 24.691 21.723 1.00 11.67 C ATOM 527 HA LEU A 32 5.097 20.422 19.945 1.00 0.00 H ATOM 528 HB2 LEU A 32 4.928 22.757 19.467 1.00 0.00 H ATOM 529 HB3 LEU A 32 4.420 22.416 21.138 1.00 0.00 H ATOM 530 HG LEU A 32 6.894 23.200 21.663 1.00 0.00 H ATOM 531 HD21 LEU A 32 4.596 25.110 21.054 1.00 0.00 H ATOM 532 HD22 LEU A 32 4.856 24.232 22.581 1.00 0.00 H ATOM 533 HD23 LEU A 32 6.013 25.483 22.065 1.00 0.00 H ATOM 534 HD11 LEU A 32 7.506 23.532 19.263 1.00 0.00 H ATOM 535 HD12 LEU A 32 6.153 24.674 19.071 1.00 0.00 H ATOM 536 HD13 LEU A 32 7.526 25.089 20.128 1.00 0.00 H ATOM 537 H LEU A 32 7.322 20.652 21.899 1.00 0.00 H ATOM 538 N VAL A 33 6.922 20.997 18.136 1.00 7.83 N ATOM 539 CA VAL A 33 8.003 21.052 17.150 1.00 8.04 C ATOM 540 C VAL A 33 7.695 22.290 16.318 1.00 9.10 C ATOM 541 O VAL A 33 6.535 22.538 15.960 1.00 10.15 O ATOM 542 CB VAL A 33 8.034 19.792 16.271 1.00 6.85 C ATOM 543 CG1 VAL A 33 8.993 19.956 15.119 1.00 8.24 C ATOM 544 CG2 VAL A 33 8.413 18.587 17.126 1.00 6.81 C ATOM 545 HA VAL A 33 8.983 21.100 17.624 1.00 0.00 H ATOM 546 HB VAL A 33 7.042 19.633 15.848 1.00 0.00 H ATOM 547 HG11 VAL A 33 8.681 20.802 14.506 1.00 0.00 H ATOM 548 HG12 VAL A 33 9.996 20.136 15.506 1.00 0.00 H ATOM 549 HG13 VAL A 33 8.993 19.048 14.516 1.00 0.00 H ATOM 550 HG21 VAL A 33 9.397 18.750 17.565 1.00 0.00 H ATOM 551 HG22 VAL A 33 7.677 18.460 17.919 1.00 0.00 H ATOM 552 HG23 VAL A 33 8.435 17.693 16.503 1.00 0.00 H ATOM 553 H VAL A 33 5.945 20.905 17.791 1.00 0.00 H ATOM 554 N ARG A 34 8.699 23.120 16.098 1.00 8.58 N ATOM 555 CA ARG A 34 8.546 24.348 15.316 1.00 8.99 C ATOM 556 C ARG A 34 9.732 24.475 14.353 1.00 10.15 C ATOM 557 O ARG A 34 10.703 23.689 14.412 1.00 9.22 O ATOM 558 CB ARG A 34 8.537 25.563 16.243 1.00 8.24 C ATOM 559 CG ARG A 34 9.797 25.666 17.157 1.00 10.51 C ATOM 560 CD ARG A 34 9.831 26.918 17.987 1.00 11.03 C ATOM 561 NE ARG A 34 10.939 26.938 18.951 1.00 13.74 N ATOM 562 CZ ARG A 34 12.154 27.472 18.714 1.00 13.01 C ATOM 563 NH1 ARG A 34 13.073 27.443 19.671 1.00 10.25 N ATOM 564 NH2 ARG A 34 12.436 28.056 17.550 1.00 11.25 N ATOM 565 HA ARG A 34 7.607 24.306 14.764 1.00 0.00 H ATOM 566 HB2 ARG A 34 8.482 26.463 15.630 1.00 0.00 H ATOM 567 HB3 ARG A 34 7.654 25.504 16.879 1.00 0.00 H ATOM 568 HG2 ARG A 34 9.809 24.806 17.827 1.00 0.00 H ATOM 569 HG3 ARG A 34 10.685 25.646 16.525 1.00 0.00 H ATOM 570 HD2 ARG A 34 8.892 26.997 18.535 1.00 0.00 H ATOM 571 HD3 ARG A 34 9.935 27.774 17.320 1.00 0.00 H ATOM 572 HE ARG A 34 10.774 26.509 19.884 1.00 0.00 H ATOM 573 HH12 ARG A 34 14.014 27.852 19.501 1.00 0.00 H ATOM 574 HH11 ARG A 34 12.852 27.012 20.591 1.00 0.00 H ATOM 575 HH22 ARG A 34 13.380 28.462 17.387 1.00 0.00 H ATOM 576 HH21 ARG A 34 11.713 28.106 16.804 1.00 0.00 H ATOM 577 H ARG A 34 9.633 22.892 16.495 1.00 0.00 H ATOM 578 N GLU A 35 9.646 25.427 13.439 1.00 11.65 N ATOM 579 CA GLU A 35 10.748 25.702 12.523 1.00 13.67 C ATOM 580 C GLU A 35 11.838 26.418 13.317 1.00 14.03 C ATOM 581 O GLU A 35 11.559 27.088 14.308 1.00 13.69 O ATOM 582 CB GLU A 35 10.317 26.682 11.459 1.00 15.31 C ATOM 583 CG GLU A 35 9.427 26.121 10.405 1.00 18.51 C ATOM 584 CD GLU A 35 9.181 27.121 9.307 1.00 21.35 C ATOM 585 OE1 GLU A 35 8.565 26.722 8.301 1.00 22.32 O ATOM 586 OE2 GLU A 35 9.605 28.302 9.441 1.00 22.93 O ATOM 587 HA GLU A 35 11.078 24.764 12.076 1.00 0.00 H ATOM 588 HB2 GLU A 35 9.788 27.500 11.948 1.00 0.00 H ATOM 589 HB3 GLU A 35 11.213 27.069 10.974 1.00 0.00 H ATOM 590 HG2 GLU A 35 9.896 25.234 9.979 1.00 0.00 H ATOM 591 HG3 GLU A 35 8.473 25.846 10.855 1.00 0.00 H ATOM 592 H GLU A 35 8.775 25.991 13.372 1.00 0.00 H ATOM 593 N SER A 36 13.081 26.268 12.882 1.00 16.16 N ATOM 594 CA SER A 36 14.197 26.970 13.506 1.00 17.72 C ATOM 595 C SER A 36 14.056 28.459 13.083 1.00 18.74 C ATOM 596 O SER A 36 13.614 28.750 11.982 1.00 18.20 O ATOM 597 CB SER A 36 15.535 26.387 12.981 1.00 18.92 C ATOM 598 OG SER A 36 16.646 27.235 13.252 1.00 20.16 O ATOM 599 HA SER A 36 14.190 26.865 14.591 1.00 0.00 H ATOM 600 HB2 SER A 36 15.456 26.248 11.903 1.00 0.00 H ATOM 601 HB3 SER A 36 15.707 25.422 13.459 1.00 0.00 H ATOM 602 HG SER A 36 17.472 26.819 12.898 1.00 0.00 H ATOM 603 H SER A 36 13.265 25.635 12.077 1.00 0.00 H ATOM 604 N GLU A 37 14.364 29.382 13.977 1.00 19.49 N ATOM 605 CA GLU A 37 14.301 30.809 13.650 1.00 24.14 C ATOM 606 C GLU A 37 15.466 31.232 12.737 1.00 27.30 C ATOM 607 O GLU A 37 15.389 32.235 12.038 1.00 28.21 O ATOM 608 CB GLU A 37 14.415 31.658 14.921 1.00 23.88 C ATOM 609 CG GLU A 37 13.181 31.759 15.802 1.00 23.31 C ATOM 610 CD GLU A 37 13.388 32.743 16.940 1.00 25.22 C ATOM 611 OE1 GLU A 37 14.499 33.291 17.070 1.00 25.60 O ATOM 612 OE2 GLU A 37 12.450 32.997 17.720 1.00 24.79 O ATOM 613 HA GLU A 37 13.346 30.967 13.148 1.00 0.00 H ATOM 614 HB2 GLU A 37 15.217 31.236 15.527 1.00 0.00 H ATOM 615 HB3 GLU A 37 14.685 32.669 14.617 1.00 0.00 H ATOM 616 HG2 GLU A 37 12.339 32.091 15.195 1.00 0.00 H ATOM 617 HG3 GLU A 37 12.962 30.776 16.219 1.00 0.00 H ATOM 618 H GLU A 37 14.657 29.090 14.931 1.00 0.00 H ATOM 619 N THR A 38 16.551 30.468 12.751 1.00 30.10 N ATOM 620 CA THR A 38 17.723 30.861 11.991 1.00 33.51 C ATOM 621 C THR A 38 18.351 29.836 11.039 1.00 33.46 C ATOM 622 O THR A 38 19.073 30.207 10.103 1.00 35.43 O ATOM 623 CB THR A 38 18.816 31.427 12.984 1.00 35.39 C ATOM 624 OG1 THR A 38 18.963 30.537 14.129 1.00 36.45 O ATOM 625 CG2 THR A 38 18.430 32.886 13.433 1.00 35.37 C ATOM 626 HA THR A 38 17.343 31.615 11.302 1.00 0.00 H ATOM 627 HB THR A 38 19.778 31.475 12.474 1.00 0.00 H ATOM 628 HG1 THR A 38 19.649 30.901 14.743 1.00 0.00 H ATOM 629 HG23 THR A 38 18.329 33.521 12.553 1.00 0.00 H ATOM 630 HG21 THR A 38 17.484 32.860 13.974 1.00 0.00 H ATOM 631 HG22 THR A 38 19.210 33.284 14.082 1.00 0.00 H ATOM 632 H THR A 38 16.561 29.589 13.306 1.00 0.00 H ATOM 633 N THR A 39 18.095 28.555 11.242 1.00 32.91 N ATOM 634 CA THR A 39 18.697 27.577 10.347 1.00 31.28 C ATOM 635 C THR A 39 17.687 27.039 9.373 1.00 30.76 C ATOM 636 O THR A 39 16.806 26.285 9.739 1.00 29.30 O ATOM 637 CB THR A 39 19.306 26.414 11.115 1.00 31.66 C ATOM 638 OG1 THR A 39 20.132 26.931 12.167 1.00 32.63 O ATOM 639 CG2 THR A 39 20.113 25.526 10.179 1.00 31.16 C ATOM 640 HA THR A 39 19.486 28.097 9.804 1.00 0.00 H ATOM 641 HB THR A 39 18.513 25.805 11.549 1.00 0.00 H ATOM 642 HG1 THR A 39 20.532 26.179 12.671 1.00 0.00 H ATOM 643 HG23 THR A 39 19.463 25.147 9.390 1.00 0.00 H ATOM 644 HG21 THR A 39 20.922 26.107 9.737 1.00 0.00 H ATOM 645 HG22 THR A 39 20.529 24.690 10.742 1.00 0.00 H ATOM 646 H THR A 39 17.478 28.253 12.023 1.00 0.00 H ATOM 647 N LYS A 40 17.823 27.439 8.118 1.00 30.26 N ATOM 648 CA LYS A 40 16.904 26.966 7.099 1.00 31.36 C ATOM 649 C LYS A 40 16.897 25.436 7.109 1.00 29.64 C ATOM 650 O LYS A 40 17.926 24.797 7.328 1.00 29.78 O ATOM 651 CB LYS A 40 17.295 27.500 5.698 1.00 34.39 C ATOM 652 CG LYS A 40 18.498 26.789 5.022 1.00 38.51 C ATOM 653 CD LYS A 40 19.824 27.067 5.757 1.00 41.26 C ATOM 654 CE LYS A 40 20.512 25.780 6.244 1.00 42.93 C ATOM 655 NZ LYS A 40 21.625 26.077 7.217 1.00 44.14 N ATOM 656 HA LYS A 40 15.904 27.340 7.321 1.00 0.00 H ATOM 657 HB2 LYS A 40 16.430 27.392 5.044 1.00 0.00 H ATOM 658 HB3 LYS A 40 17.543 28.557 5.798 1.00 0.00 H ATOM 659 HG2 LYS A 40 18.316 25.714 5.020 1.00 0.00 H ATOM 660 HG3 LYS A 40 18.584 27.144 3.995 1.00 0.00 H ATOM 661 HD2 LYS A 40 20.498 27.587 5.077 1.00 0.00 H ATOM 662 HD3 LYS A 40 19.619 27.701 6.619 1.00 0.00 H ATOM 663 HE2 LYS A 40 20.925 25.253 5.384 1.00 0.00 H ATOM 664 HE3 LYS A 40 19.772 25.148 6.735 1.00 0.00 H ATOM 665 HZ1 LYS A 40 22.338 26.675 6.754 1.00 0.00 H ATOM 666 HZ2 LYS A 40 21.237 26.575 8.044 1.00 0.00 H ATOM 667 HZ3 LYS A 40 22.064 25.185 7.522 1.00 0.00 H ATOM 668 H LYS A 40 18.590 28.093 7.862 1.00 0.00 H ATOM 669 N GLY A 41 15.707 24.867 6.986 1.00 28.18 N ATOM 670 CA GLY A 41 15.578 23.426 6.942 1.00 26.55 C ATOM 671 C GLY A 41 15.775 22.690 8.246 1.00 25.41 C ATOM 672 O GLY A 41 15.758 21.435 8.234 1.00 27.69 O ATOM 673 HA3 GLY A 41 16.316 23.049 6.234 1.00 0.00 H ATOM 674 HA2 GLY A 41 14.577 23.194 6.579 1.00 0.00 H ATOM 675 H GLY A 41 14.857 25.462 6.920 1.00 0.00 H ATOM 676 N ALA A 42 16.028 23.408 9.341 1.00 21.63 N ATOM 677 CA ALA A 42 16.190 22.761 10.638 1.00 18.27 C ATOM 678 C ALA A 42 14.928 23.036 11.463 1.00 16.09 C ATOM 679 O ALA A 42 14.216 23.947 11.183 1.00 17.92 O ATOM 680 CB ALA A 42 17.437 23.281 11.349 1.00 17.26 C ATOM 681 HA ALA A 42 16.321 21.687 10.510 1.00 0.00 H ATOM 682 HB1 ALA A 42 18.315 23.072 10.738 1.00 0.00 H ATOM 683 HB2 ALA A 42 17.345 24.357 11.500 1.00 0.00 H ATOM 684 HB3 ALA A 42 17.537 22.784 12.314 1.00 0.00 H ATOM 685 H ALA A 42 16.111 24.442 9.269 1.00 0.00 H ATOM 686 N TYR A 43 14.615 22.177 12.418 1.00 14.11 N ATOM 687 CA TYR A 43 13.446 22.368 13.284 1.00 12.86 C ATOM 688 C TYR A 43 13.927 22.400 14.716 1.00 11.69 C ATOM 689 O TYR A 43 15.087 22.188 14.995 1.00 10.26 O ATOM 690 CB TYR A 43 12.480 21.197 13.174 1.00 15.14 C ATOM 691 CG TYR A 43 12.017 20.921 11.777 1.00 18.50 C ATOM 692 CD1 TYR A 43 12.661 19.954 10.993 1.00 20.62 C ATOM 693 CD2 TYR A 43 10.955 21.626 11.230 1.00 18.95 C ATOM 694 CE1 TYR A 43 12.261 19.691 9.684 1.00 23.98 C ATOM 695 CE2 TYR A 43 10.536 21.369 9.920 1.00 23.71 C ATOM 696 CZ TYR A 43 11.198 20.397 9.153 1.00 24.26 C ATOM 697 OH TYR A 43 10.789 20.127 7.864 1.00 28.35 O ATOM 698 HA TYR A 43 12.943 23.288 12.985 1.00 0.00 H ATOM 699 HB3 TYR A 43 11.606 21.414 13.789 1.00 0.00 H ATOM 700 HB2 TYR A 43 12.978 20.305 13.553 1.00 0.00 H ATOM 701 HD2 TYR A 43 10.444 22.384 11.824 1.00 0.00 H ATOM 702 HE2 TYR A 43 9.698 21.922 9.496 1.00 0.00 H ATOM 703 HE1 TYR A 43 12.779 18.940 9.088 1.00 0.00 H ATOM 704 HD1 TYR A 43 13.495 19.394 11.417 1.00 0.00 H ATOM 705 HH TYR A 43 10.861 20.949 7.317 1.00 0.00 H ATOM 706 H TYR A 43 15.216 21.340 12.560 1.00 0.00 H ATOM 707 N CYS A 44 13.008 22.618 15.640 1.00 10.76 N ATOM 708 CA CYS A 44 13.364 22.647 17.020 1.00 9.83 C ATOM 709 C CYS A 44 12.280 21.955 17.794 1.00 10.32 C ATOM 710 O CYS A 44 11.098 22.143 17.497 1.00 9.60 O ATOM 711 CB CYS A 44 13.470 24.082 17.518 1.00 9.34 C ATOM 712 SG CYS A 44 13.712 24.177 19.291 1.00 12.61 S ATOM 713 HA CYS A 44 14.327 22.155 17.154 1.00 0.00 H ATOM 714 HB2 CYS A 44 12.552 24.610 17.261 1.00 0.00 H ATOM 715 HB3 CYS A 44 14.314 24.562 17.023 1.00 0.00 H ATOM 716 HG CYS A 44 12.645 23.582 19.932 1.00 0.00 H ATOM 717 H CYS A 44 12.018 22.769 15.359 1.00 0.00 H ATOM 718 N LEU A 45 12.699 21.055 18.676 1.00 9.31 N ATOM 719 CA LEU A 45 11.802 20.340 19.588 1.00 8.65 C ATOM 720 C LEU A 45 11.866 21.112 20.915 1.00 9.17 C ATOM 721 O LEU A 45 12.925 21.098 21.569 1.00 8.12 O ATOM 722 CB LEU A 45 12.278 18.892 19.793 1.00 8.58 C ATOM 723 CG LEU A 45 11.625 18.057 20.914 1.00 6.95 C ATOM 724 CD1 LEU A 45 10.109 17.853 20.603 1.00 5.56 C ATOM 725 CD2 LEU A 45 12.321 16.679 21.030 1.00 8.45 C ATOM 726 HA LEU A 45 10.787 20.289 19.193 1.00 0.00 H ATOM 727 HB2 LEU A 45 12.110 18.361 18.856 1.00 0.00 H ATOM 728 HB3 LEU A 45 13.347 18.930 20.000 1.00 0.00 H ATOM 729 HG LEU A 45 11.734 18.589 21.859 1.00 0.00 H ATOM 730 HD21 LEU A 45 12.226 16.144 20.085 1.00 0.00 H ATOM 731 HD22 LEU A 45 13.376 16.825 21.262 1.00 0.00 H ATOM 732 HD23 LEU A 45 11.850 16.101 21.825 1.00 0.00 H ATOM 733 HD11 LEU A 45 9.618 18.824 20.542 1.00 0.00 H ATOM 734 HD12 LEU A 45 10.002 17.330 19.653 1.00 0.00 H ATOM 735 HD13 LEU A 45 9.653 17.263 21.398 1.00 0.00 H ATOM 736 H LEU A 45 13.717 20.847 18.722 1.00 0.00 H ATOM 737 N SER A 46 10.802 21.840 21.285 1.00 5.86 N ATOM 738 CA SER A 46 10.807 22.569 22.548 1.00 7.18 C ATOM 739 C SER A 46 10.080 21.738 23.590 1.00 8.30 C ATOM 740 O SER A 46 8.944 21.271 23.360 1.00 7.99 O ATOM 741 CB SER A 46 10.190 23.929 22.376 1.00 6.77 C ATOM 742 OG SER A 46 10.903 24.593 21.369 1.00 9.33 O ATOM 743 HA SER A 46 11.831 22.732 22.885 1.00 0.00 H ATOM 744 HB2 SER A 46 10.256 24.488 23.309 1.00 0.00 H ATOM 745 HB3 SER A 46 9.144 23.829 22.087 1.00 0.00 H ATOM 746 HG SER A 46 11.852 24.675 21.638 1.00 0.00 H ATOM 747 H SER A 46 9.967 21.885 20.667 1.00 0.00 H ATOM 748 N VAL A 47 10.714 21.555 24.745 1.00 6.81 N ATOM 749 CA VAL A 47 10.183 20.647 25.774 1.00 9.05 C ATOM 750 C VAL A 47 10.100 21.264 27.176 1.00 8.58 C ATOM 751 O VAL A 47 11.015 21.996 27.607 1.00 8.80 O ATOM 752 CB VAL A 47 11.066 19.343 25.826 1.00 6.73 C ATOM 753 CG1 VAL A 47 10.453 18.297 26.755 1.00 7.99 C ATOM 754 CG2 VAL A 47 11.273 18.755 24.441 1.00 7.20 C ATOM 755 HA VAL A 47 9.158 20.420 25.481 1.00 0.00 H ATOM 756 HB VAL A 47 12.039 19.631 26.223 1.00 0.00 H ATOM 757 HG11 VAL A 47 10.378 18.707 27.762 1.00 0.00 H ATOM 758 HG12 VAL A 47 9.459 18.031 26.395 1.00 0.00 H ATOM 759 HG13 VAL A 47 11.086 17.410 26.769 1.00 0.00 H ATOM 760 HG21 VAL A 47 10.306 18.500 24.008 1.00 0.00 H ATOM 761 HG22 VAL A 47 11.775 19.487 23.808 1.00 0.00 H ATOM 762 HG23 VAL A 47 11.886 17.857 24.517 1.00 0.00 H ATOM 763 H VAL A 47 11.603 22.064 24.924 1.00 0.00 H ATOM 764 N SER A 48 8.990 21.020 27.885 1.00 8.28 N ATOM 765 CA SER A 48 8.880 21.558 29.235 1.00 9.41 C ATOM 766 C SER A 48 9.525 20.562 30.198 1.00 9.23 C ATOM 767 O SER A 48 9.564 19.344 29.941 1.00 7.11 O ATOM 768 CB SER A 48 7.408 21.851 29.649 1.00 10.11 C ATOM 769 OG SER A 48 6.679 20.660 29.938 1.00 10.34 O ATOM 770 HA SER A 48 9.396 22.517 29.270 1.00 0.00 H ATOM 771 HB2 SER A 48 6.912 22.376 28.833 1.00 0.00 H ATOM 772 HB3 SER A 48 7.413 22.483 30.537 1.00 0.00 H ATOM 773 HG SER A 48 7.118 20.179 30.684 1.00 0.00 H ATOM 774 H SER A 48 8.218 20.455 27.478 1.00 0.00 H ATOM 775 N ASP A 49 10.092 21.104 31.271 1.00 10.90 N ATOM 776 CA ASP A 49 10.725 20.296 32.309 1.00 12.75 C ATOM 777 C ASP A 49 10.392 20.912 33.660 1.00 12.53 C ATOM 778 O ASP A 49 9.859 22.053 33.743 1.00 12.32 O ATOM 779 CB ASP A 49 12.247 20.266 32.116 1.00 14.63 C ATOM 780 CG ASP A 49 12.939 19.191 32.962 1.00 17.92 C ATOM 781 OD1 ASP A 49 12.290 18.212 33.452 1.00 16.60 O ATOM 782 OD2 ASP A 49 14.181 19.307 33.086 1.00 17.99 O ATOM 783 HA ASP A 49 10.355 19.272 32.253 1.00 0.00 H ATOM 784 HB2 ASP A 49 12.460 20.071 31.065 1.00 0.00 H ATOM 785 HB3 ASP A 49 12.651 21.240 32.393 1.00 0.00 H ATOM 786 H ASP A 49 10.084 22.139 31.375 1.00 0.00 H ATOM 787 N PHE A 50 10.667 20.152 34.714 1.00 12.00 N ATOM 788 CA PHE A 50 10.419 20.622 36.051 1.00 14.23 C ATOM 789 C PHE A 50 11.309 19.894 37.053 1.00 14.83 C ATOM 790 O PHE A 50 11.410 18.650 37.018 1.00 15.98 O ATOM 791 CB PHE A 50 8.927 20.395 36.452 1.00 12.84 C ATOM 792 CG PHE A 50 8.586 20.866 37.853 1.00 11.25 C ATOM 793 CD1 PHE A 50 8.877 20.062 38.974 1.00 11.52 C ATOM 794 CD2 PHE A 50 8.096 22.149 38.058 1.00 11.24 C ATOM 795 CE1 PHE A 50 8.684 20.540 40.272 1.00 11.77 C ATOM 796 CE2 PHE A 50 7.897 22.645 39.352 1.00 12.02 C ATOM 797 CZ PHE A 50 8.204 21.837 40.462 1.00 12.32 C ATOM 798 HA PHE A 50 10.643 21.689 36.068 1.00 0.00 H ATOM 799 HB2 PHE A 50 8.296 20.935 35.746 1.00 0.00 H ATOM 800 HB3 PHE A 50 8.713 19.328 36.387 1.00 0.00 H ATOM 801 HD2 PHE A 50 7.863 22.779 37.199 1.00 0.00 H ATOM 802 HE2 PHE A 50 7.506 23.652 39.499 1.00 0.00 H ATOM 803 HZ PHE A 50 8.067 22.224 41.472 1.00 0.00 H ATOM 804 HE1 PHE A 50 8.906 19.905 41.130 1.00 0.00 H ATOM 805 HD1 PHE A 50 9.258 19.052 38.825 1.00 0.00 H ATOM 806 H PHE A 50 11.068 19.203 34.571 1.00 0.00 H ATOM 807 N ASP A 51 11.976 20.659 37.913 1.00 15.53 N ATOM 808 CA ASP A 51 12.723 20.058 39.018 1.00 16.79 C ATOM 809 C ASP A 51 12.785 21.026 40.170 1.00 17.11 C ATOM 810 O ASP A 51 12.385 22.199 40.040 1.00 17.39 O ATOM 811 CB ASP A 51 14.101 19.435 38.647 1.00 18.69 C ATOM 812 CG ASP A 51 15.116 20.437 38.095 1.00 19.76 C ATOM 813 OD1 ASP A 51 15.857 20.067 37.157 1.00 19.62 O ATOM 814 OD2 ASP A 51 15.221 21.551 38.613 1.00 20.96 O ATOM 815 HA ASP A 51 12.162 19.176 39.327 1.00 0.00 H ATOM 816 HB2 ASP A 51 14.523 18.980 39.543 1.00 0.00 H ATOM 817 HB3 ASP A 51 13.936 18.665 37.893 1.00 0.00 H ATOM 818 H ASP A 51 11.966 21.693 37.799 1.00 0.00 H ATOM 819 N ASN A 52 13.198 20.522 41.322 1.00 18.13 N ATOM 820 CA ASN A 52 13.281 21.361 42.507 1.00 20.76 C ATOM 821 C ASN A 52 14.348 22.461 42.429 1.00 21.29 C ATOM 822 O ASN A 52 14.215 23.488 43.080 1.00 22.58 O ATOM 823 CB ASN A 52 13.442 20.493 43.771 1.00 22.02 C ATOM 824 CG ASN A 52 12.137 19.753 44.141 1.00 24.14 C ATOM 825 OD1 ASN A 52 11.047 20.016 43.553 1.00 23.91 O ATOM 826 ND2 ASN A 52 12.226 18.832 45.091 1.00 22.13 N ATOM 827 HA ASN A 52 12.335 21.900 42.565 1.00 0.00 H ATOM 828 HB2 ASN A 52 14.226 19.756 43.594 1.00 0.00 H ATOM 829 HB3 ASN A 52 13.730 21.135 44.604 1.00 0.00 H ATOM 830 HD22 ASN A 52 13.140 18.645 45.550 1.00 0.00 H ATOM 831 HD21 ASN A 52 11.382 18.296 45.377 1.00 0.00 H ATOM 832 H ASN A 52 13.465 19.519 41.380 1.00 0.00 H ATOM 833 N ALA A 53 15.362 22.264 41.586 1.00 20.67 N ATOM 834 CA ALA A 53 16.434 23.245 41.437 1.00 21.07 C ATOM 835 C ALA A 53 15.986 24.387 40.567 1.00 21.40 C ATOM 836 O ALA A 53 16.046 25.547 40.971 1.00 21.89 O ATOM 837 CB ALA A 53 17.687 22.602 40.838 1.00 18.82 C ATOM 838 HA ALA A 53 16.678 23.625 42.429 1.00 0.00 H ATOM 839 HB1 ALA A 53 18.033 21.803 41.494 1.00 0.00 H ATOM 840 HB2 ALA A 53 17.449 22.191 39.857 1.00 0.00 H ATOM 841 HB3 ALA A 53 18.468 23.355 40.739 1.00 0.00 H ATOM 842 H ALA A 53 15.390 21.391 41.021 1.00 0.00 H ATOM 843 N LYS A 54 15.431 24.041 39.413 1.00 21.47 N ATOM 844 CA LYS A 54 15.003 25.044 38.435 1.00 23.40 C ATOM 845 C LYS A 54 13.490 25.332 38.366 1.00 22.43 C ATOM 846 O LYS A 54 13.076 26.335 37.730 1.00 23.12 O ATOM 847 CB LYS A 54 15.460 24.622 37.021 1.00 25.07 C ATOM 848 CG LYS A 54 16.931 24.269 36.882 1.00 29.14 C ATOM 849 CD LYS A 54 17.287 24.067 35.411 1.00 30.73 C ATOM 850 CE LYS A 54 18.776 24.246 35.220 1.00 32.49 C ATOM 851 NZ LYS A 54 19.075 24.796 33.868 1.00 35.51 N ATOM 852 HA LYS A 54 15.472 25.964 38.784 1.00 0.00 H ATOM 853 HB2 LYS A 54 14.877 23.750 36.727 1.00 0.00 H ATOM 854 HB3 LYS A 54 15.247 25.446 36.340 1.00 0.00 H ATOM 855 HG2 LYS A 54 17.536 25.078 37.292 1.00 0.00 H ATOM 856 HG3 LYS A 54 17.135 23.350 37.432 1.00 0.00 H ATOM 857 HD2 LYS A 54 17.000 23.062 35.103 1.00 0.00 H ATOM 858 HD3 LYS A 54 16.753 24.798 34.804 1.00 0.00 H ATOM 859 HE2 LYS A 54 19.269 23.280 35.330 1.00 0.00 H ATOM 860 HE3 LYS A 54 19.153 24.934 35.977 1.00 0.00 H ATOM 861 HZ1 LYS A 54 18.720 24.141 33.142 1.00 0.00 H ATOM 862 HZ2 LYS A 54 18.610 25.720 33.760 1.00 0.00 H ATOM 863 HZ3 LYS A 54 20.103 24.910 33.761 1.00 0.00 H ATOM 864 H LYS A 54 15.296 23.033 39.197 1.00 0.00 H ATOM 865 N GLY A 55 12.679 24.446 38.941 1.00 19.44 N ATOM 866 CA GLY A 55 11.248 24.607 38.842 1.00 17.15 C ATOM 867 C GLY A 55 10.853 24.368 37.381 1.00 14.39 C ATOM 868 O GLY A 55 11.533 23.616 36.674 1.00 12.61 O ATOM 869 HA3 GLY A 55 10.966 25.616 39.143 1.00 0.00 H ATOM 870 HA2 GLY A 55 10.747 23.884 39.486 1.00 0.00 H ATOM 871 H GLY A 55 13.077 23.638 39.461 1.00 0.00 H ATOM 872 N LEU A 56 9.775 25.029 36.937 1.00 13.32 N ATOM 873 CA LEU A 56 9.294 24.873 35.554 1.00 13.77 C ATOM 874 C LEU A 56 10.215 25.584 34.561 1.00 12.49 C ATOM 875 O LEU A 56 10.477 26.770 34.695 1.00 13.11 O ATOM 876 CB LEU A 56 7.846 25.403 35.404 1.00 15.73 C ATOM 877 CG LEU A 56 7.152 25.285 34.030 1.00 16.53 C ATOM 878 CD1 LEU A 56 6.905 23.816 33.696 1.00 16.66 C ATOM 879 CD2 LEU A 56 5.818 26.022 34.062 1.00 18.55 C ATOM 880 HA LEU A 56 9.301 23.807 35.328 1.00 0.00 H ATOM 881 HB2 LEU A 56 7.230 24.862 36.122 1.00 0.00 H ATOM 882 HB3 LEU A 56 7.863 26.461 35.666 1.00 0.00 H ATOM 883 HG LEU A 56 7.797 25.727 33.270 1.00 0.00 H ATOM 884 HD21 LEU A 56 5.180 25.582 34.828 1.00 0.00 H ATOM 885 HD22 LEU A 56 5.991 27.074 34.291 1.00 0.00 H ATOM 886 HD23 LEU A 56 5.333 25.935 33.090 1.00 0.00 H ATOM 887 HD11 LEU A 56 7.857 23.287 33.665 1.00 0.00 H ATOM 888 HD12 LEU A 56 6.267 23.373 34.461 1.00 0.00 H ATOM 889 HD13 LEU A 56 6.415 23.743 32.725 1.00 0.00 H ATOM 890 H LEU A 56 9.267 25.666 37.583 1.00 0.00 H ATOM 891 N ASN A 57 10.640 24.880 33.529 1.00 11.11 N ATOM 892 CA ASN A 57 11.536 25.481 32.567 1.00 11.30 C ATOM 893 C ASN A 57 11.450 24.770 31.231 1.00 10.06 C ATOM 894 O ASN A 57 10.926 23.670 31.135 1.00 11.08 O ATOM 895 CB ASN A 57 12.983 25.485 33.129 1.00 11.59 C ATOM 896 CG ASN A 57 13.552 24.085 33.319 1.00 11.83 C ATOM 897 OD1 ASN A 57 14.360 23.630 32.506 1.00 14.03 O ATOM 898 ND2 ASN A 57 13.101 23.375 34.367 1.00 11.93 N ATOM 899 HA ASN A 57 11.236 26.515 32.396 1.00 0.00 H ATOM 900 HB2 ASN A 57 13.624 26.029 32.435 1.00 0.00 H ATOM 901 HB3 ASN A 57 12.980 25.993 34.094 1.00 0.00 H ATOM 902 HD22 ASN A 57 12.419 23.799 35.028 1.00 0.00 H ATOM 903 HD21 ASN A 57 13.434 22.401 34.517 1.00 0.00 H ATOM 904 H ASN A 57 10.331 23.894 33.408 1.00 0.00 H ATOM 905 N VAL A 58 12.027 25.385 30.208 1.00 9.19 N ATOM 906 CA VAL A 58 11.969 24.852 28.866 1.00 8.66 C ATOM 907 C VAL A 58 13.358 24.559 28.263 1.00 10.90 C ATOM 908 O VAL A 58 14.311 25.330 28.470 1.00 11.12 O ATOM 909 CB VAL A 58 11.248 25.880 27.964 1.00 8.26 C ATOM 910 CG1 VAL A 58 11.209 25.414 26.531 1.00 6.59 C ATOM 911 CG2 VAL A 58 9.843 26.155 28.520 1.00 8.20 C ATOM 912 HA VAL A 58 11.435 23.903 28.917 1.00 0.00 H ATOM 913 HB VAL A 58 11.806 26.816 27.970 1.00 0.00 H ATOM 914 HG11 VAL A 58 12.227 25.283 26.165 1.00 0.00 H ATOM 915 HG12 VAL A 58 10.676 24.465 26.473 1.00 0.00 H ATOM 916 HG13 VAL A 58 10.696 26.158 25.922 1.00 0.00 H ATOM 917 HG21 VAL A 58 9.273 25.226 28.540 1.00 0.00 H ATOM 918 HG22 VAL A 58 9.925 26.554 29.531 1.00 0.00 H ATOM 919 HG23 VAL A 58 9.337 26.880 27.882 1.00 0.00 H ATOM 920 H VAL A 58 12.536 26.276 30.376 1.00 0.00 H ATOM 921 N LYS A 59 13.461 23.464 27.522 1.00 9.33 N ATOM 922 CA LYS A 59 14.681 23.090 26.831 1.00 10.90 C ATOM 923 C LYS A 59 14.368 23.023 25.346 1.00 10.15 C ATOM 924 O LYS A 59 13.272 22.622 24.965 1.00 10.13 O ATOM 925 CB LYS A 59 15.184 21.736 27.311 1.00 12.42 C ATOM 926 CG LYS A 59 16.138 21.804 28.509 1.00 15.54 C ATOM 927 CD LYS A 59 15.456 21.479 29.831 1.00 19.54 C ATOM 928 CE LYS A 59 16.393 21.725 31.028 1.00 21.45 C ATOM 929 NZ LYS A 59 15.762 21.406 32.331 1.00 19.02 N ATOM 930 HA LYS A 59 15.460 23.825 27.033 1.00 0.00 H ATOM 931 HB2 LYS A 59 14.322 21.133 27.595 1.00 0.00 H ATOM 932 HB3 LYS A 59 15.707 21.254 26.485 1.00 0.00 H ATOM 933 HG2 LYS A 59 16.947 21.091 28.350 1.00 0.00 H ATOM 934 HG3 LYS A 59 16.550 22.811 28.569 1.00 0.00 H ATOM 935 HD2 LYS A 59 14.573 22.109 29.938 1.00 0.00 H ATOM 936 HD3 LYS A 59 15.156 20.431 29.826 1.00 0.00 H ATOM 937 HE2 LYS A 59 16.685 22.775 31.031 1.00 0.00 H ATOM 938 HE3 LYS A 59 17.280 21.103 30.909 1.00 0.00 H ATOM 939 HZ1 LYS A 59 14.919 22.000 32.461 1.00 0.00 H ATOM 940 HZ2 LYS A 59 15.486 20.403 32.345 1.00 0.00 H ATOM 941 HZ3 LYS A 59 16.440 21.591 33.098 1.00 0.00 H ATOM 942 H LYS A 59 12.630 22.845 27.432 1.00 0.00 H ATOM 943 N HIS A 60 15.311 23.464 24.517 1.00 8.81 N ATOM 944 CA HIS A 60 15.180 23.471 23.056 1.00 8.63 C ATOM 945 C HIS A 60 16.248 22.588 22.401 1.00 9.10 C ATOM 946 O HIS A 60 17.448 22.788 22.627 1.00 8.27 O ATOM 947 CB HIS A 60 15.351 24.892 22.524 1.00 8.49 C ATOM 948 CG HIS A 60 14.404 25.878 23.136 1.00 10.50 C ATOM 949 ND1 HIS A 60 13.105 26.036 22.686 1.00 8.78 N ATOM 950 CD2 HIS A 60 14.567 26.786 24.127 1.00 9.36 C ATOM 951 CE1 HIS A 60 12.526 27.001 23.370 1.00 8.62 C ATOM 952 NE2 HIS A 60 13.383 27.463 24.248 1.00 11.10 N ATOM 953 HA HIS A 60 14.190 23.085 22.813 1.00 0.00 H ATOM 954 HB2 HIS A 60 16.370 25.218 22.731 1.00 0.00 H ATOM 955 HB3 HIS A 60 15.187 24.879 21.446 1.00 0.00 H ATOM 956 HD2 HIS A 60 15.469 26.947 24.717 1.00 0.00 H ATOM 957 HE1 HIS A 60 11.505 27.356 23.230 1.00 0.00 H ATOM 958 H HIS A 60 16.194 23.826 24.930 1.00 0.00 H ATOM 959 N TYR A 61 15.797 21.631 21.593 1.00 7.63 N ATOM 960 CA TYR A 61 16.665 20.677 20.908 1.00 8.69 C ATOM 961 C TYR A 61 16.579 20.858 19.386 1.00 9.34 C ATOM 962 O TYR A 61 15.498 20.720 18.773 1.00 7.93 O ATOM 963 CB TYR A 61 16.301 19.231 21.301 1.00 5.93 C ATOM 964 CG TYR A 61 16.353 18.976 22.783 1.00 7.47 C ATOM 965 CD1 TYR A 61 15.215 19.119 23.568 1.00 7.14 C ATOM 966 CD2 TYR A 61 17.546 18.613 23.428 1.00 6.80 C ATOM 967 CE1 TYR A 61 15.254 18.918 24.936 1.00 8.03 C ATOM 968 CE2 TYR A 61 17.594 18.407 24.816 1.00 6.85 C ATOM 969 CZ TYR A 61 16.440 18.566 25.556 1.00 7.40 C ATOM 970 OH TYR A 61 16.427 18.427 26.899 1.00 7.28 O ATOM 971 HA TYR A 61 17.692 20.870 21.218 1.00 0.00 H ATOM 972 HB3 TYR A 61 17.000 18.554 20.810 1.00 0.00 H ATOM 973 HB2 TYR A 61 15.290 19.023 20.951 1.00 0.00 H ATOM 974 HD2 TYR A 61 18.454 18.488 22.839 1.00 0.00 H ATOM 975 HE2 TYR A 61 18.528 18.126 25.302 1.00 0.00 H ATOM 976 HE1 TYR A 61 14.347 19.037 25.528 1.00 0.00 H ATOM 977 HD1 TYR A 61 14.272 19.395 23.096 1.00 0.00 H ATOM 978 HH TYR A 61 16.719 17.512 27.138 1.00 0.00 H ATOM 979 H TYR A 61 14.771 21.559 21.441 1.00 0.00 H ATOM 980 N LYS A 62 17.711 21.198 18.760 1.00 9.20 N ATOM 981 CA LYS A 62 17.718 21.379 17.319 1.00 8.76 C ATOM 982 C LYS A 62 17.612 20.033 16.628 1.00 9.22 C ATOM 983 O LYS A 62 18.241 19.062 17.051 1.00 8.58 O ATOM 984 CB LYS A 62 18.971 22.113 16.861 1.00 11.10 C ATOM 985 CG LYS A 62 18.910 22.519 15.433 1.00 15.36 C ATOM 986 CD LYS A 62 20.111 23.368 15.138 1.00 20.64 C ATOM 987 CE LYS A 62 20.034 24.025 13.781 1.00 24.90 C ATOM 988 NZ LYS A 62 21.082 25.091 13.738 1.00 29.43 N ATOM 989 HA LYS A 62 16.857 21.989 17.048 1.00 0.00 H ATOM 990 HB2 LYS A 62 19.095 23.007 17.473 1.00 0.00 H ATOM 991 HB3 LYS A 62 19.830 21.457 17.001 1.00 0.00 H ATOM 992 HG2 LYS A 62 18.917 21.634 14.796 1.00 0.00 H ATOM 993 HG3 LYS A 62 18.000 23.090 15.249 1.00 0.00 H ATOM 994 HD2 LYS A 62 20.186 24.145 15.899 1.00 0.00 H ATOM 995 HD3 LYS A 62 21.001 22.740 15.173 1.00 0.00 H ATOM 996 HE2 LYS A 62 19.048 24.466 13.636 1.00 0.00 H ATOM 997 HE3 LYS A 62 20.220 23.288 12.999 1.00 0.00 H ATOM 998 HZ1 LYS A 62 20.899 25.786 14.490 1.00 0.00 H ATOM 999 HZ2 LYS A 62 22.018 24.661 13.882 1.00 0.00 H ATOM 1000 HZ3 LYS A 62 21.055 25.565 12.813 1.00 0.00 H ATOM 1001 H LYS A 62 18.586 21.333 19.305 1.00 0.00 H ATOM 1002 N ILE A 63 16.732 19.956 15.638 1.00 8.71 N ATOM 1003 CA ILE A 63 16.535 18.743 14.875 1.00 9.88 C ATOM 1004 C ILE A 63 17.066 19.008 13.476 1.00 10.60 C ATOM 1005 O ILE A 63 16.680 20.007 12.806 1.00 11.36 O ATOM 1006 CB ILE A 63 15.033 18.380 14.774 1.00 10.31 C ATOM 1007 CG1 ILE A 63 14.483 17.925 16.131 1.00 11.66 C ATOM 1008 CG2 ILE A 63 14.814 17.292 13.712 1.00 10.58 C ATOM 1009 CD1 ILE A 63 12.933 17.569 16.082 1.00 10.87 C ATOM 1010 HA ILE A 63 17.050 17.915 15.362 1.00 0.00 H ATOM 1011 HB ILE A 63 14.489 19.275 14.473 1.00 0.00 H ATOM 1012 HG12 ILE A 63 15.034 17.040 16.451 1.00 0.00 H ATOM 1013 HG13 ILE A 63 14.634 18.726 16.854 1.00 0.00 H ATOM 1014 HD11 ILE A 63 12.369 18.449 15.772 1.00 0.00 H ATOM 1015 HD12 ILE A 63 12.769 16.761 15.369 1.00 0.00 H ATOM 1016 HD13 ILE A 63 12.602 17.254 17.072 1.00 0.00 H ATOM 1017 HG21 ILE A 63 15.157 17.657 12.744 1.00 0.00 H ATOM 1018 HG22 ILE A 63 15.377 16.400 13.986 1.00 0.00 H ATOM 1019 HG23 ILE A 63 13.753 17.050 13.655 1.00 0.00 H ATOM 1020 H ILE A 63 16.165 20.796 15.403 1.00 0.00 H ATOM 1021 N ARG A 64 17.958 18.150 13.012 1.00 13.05 N ATOM 1022 CA ARG A 64 18.510 18.335 11.678 1.00 15.59 C ATOM 1023 C ARG A 64 17.806 17.421 10.706 1.00 15.60 C ATOM 1024 O ARG A 64 17.348 16.335 11.078 1.00 13.48 O ATOM 1025 CB ARG A 64 20.015 18.003 11.637 1.00 18.25 C ATOM 1026 CG ARG A 64 20.896 18.695 12.670 1.00 24.37 C ATOM 1027 CD ARG A 64 20.769 20.221 12.642 1.00 30.64 C ATOM 1028 NE ARG A 64 20.523 20.768 11.305 1.00 38.99 N ATOM 1029 CZ ARG A 64 21.431 21.385 10.539 1.00 42.80 C ATOM 1030 NH1 ARG A 64 21.076 21.856 9.332 1.00 44.71 N ATOM 1031 NH2 ARG A 64 22.681 21.547 10.961 1.00 44.22 N ATOM 1032 HA ARG A 64 18.366 19.381 11.407 1.00 0.00 H ATOM 1033 HB2 ARG A 64 20.120 16.928 11.780 1.00 0.00 H ATOM 1034 HB3 ARG A 64 20.387 18.275 10.649 1.00 0.00 H ATOM 1035 HG2 ARG A 64 20.612 18.341 13.661 1.00 0.00 H ATOM 1036 HG3 ARG A 64 21.935 18.429 12.474 1.00 0.00 H ATOM 1037 HD2 ARG A 64 21.695 20.651 13.025 1.00 0.00 H ATOM 1038 HD3 ARG A 64 19.941 20.509 13.290 1.00 0.00 H ATOM 1039 HE ARG A 64 19.562 20.669 10.919 1.00 0.00 H ATOM 1040 HH12 ARG A 64 21.779 22.336 8.734 1.00 0.00 H ATOM 1041 HH11 ARG A 64 20.099 21.741 8.996 1.00 0.00 H ATOM 1042 HH22 ARG A 64 23.376 22.028 10.355 1.00 0.00 H ATOM 1043 HH21 ARG A 64 22.964 21.192 11.897 1.00 0.00 H ATOM 1044 H ARG A 64 18.264 17.347 13.597 1.00 0.00 H ATOM 1045 N LYS A 65 17.767 17.854 9.454 1.00 18.21 N ATOM 1046 CA LYS A 65 17.184 17.066 8.384 1.00 21.79 C ATOM 1047 C LYS A 65 18.178 17.044 7.238 1.00 24.29 C ATOM 1048 O LYS A 65 18.509 18.086 6.677 1.00 23.45 O ATOM 1049 CB LYS A 65 15.859 17.661 7.912 1.00 24.12 C ATOM 1050 CG LYS A 65 15.404 17.152 6.548 1.00 27.46 C ATOM 1051 CD LYS A 65 15.247 15.630 6.489 1.00 30.09 C ATOM 1052 CE LYS A 65 14.988 15.167 5.051 1.00 32.91 C ATOM 1053 NZ LYS A 65 14.083 16.117 4.340 1.00 34.62 N ATOM 1054 HA LYS A 65 16.976 16.058 8.743 1.00 0.00 H ATOM 1055 HB2 LYS A 65 15.091 17.413 8.645 1.00 0.00 H ATOM 1056 HB3 LYS A 65 15.970 18.744 7.855 1.00 0.00 H ATOM 1057 HG2 LYS A 65 14.443 17.608 6.312 1.00 0.00 H ATOM 1058 HG3 LYS A 65 16.141 17.453 5.803 1.00 0.00 H ATOM 1059 HD2 LYS A 65 16.160 15.161 6.857 1.00 0.00 H ATOM 1060 HD3 LYS A 65 14.408 15.332 7.118 1.00 0.00 H ATOM 1061 HE2 LYS A 65 14.525 14.180 5.071 1.00 0.00 H ATOM 1062 HE3 LYS A 65 15.937 15.111 4.518 1.00 0.00 H ATOM 1063 HZ1 LYS A 65 13.174 16.171 4.843 1.00 0.00 H ATOM 1064 HZ2 LYS A 65 14.523 17.059 4.314 1.00 0.00 H ATOM 1065 HZ3 LYS A 65 13.924 15.781 3.369 1.00 0.00 H ATOM 1066 H LYS A 65 18.167 18.788 9.231 1.00 0.00 H ATOM 1067 N LEU A 66 18.633 15.852 6.879 1.00 27.17 N ATOM 1068 CA LEU A 66 19.592 15.669 5.786 1.00 31.58 C ATOM 1069 C LEU A 66 18.871 15.594 4.443 1.00 34.19 C ATOM 1070 O LEU A 66 17.771 15.083 4.371 1.00 33.53 O ATOM 1071 CB LEU A 66 20.378 14.370 6.003 1.00 31.86 C ATOM 1072 CG LEU A 66 21.057 14.266 7.365 1.00 32.52 C ATOM 1073 CD1 LEU A 66 21.745 12.945 7.494 1.00 32.66 C ATOM 1074 CD2 LEU A 66 22.036 15.411 7.552 1.00 32.74 C ATOM 1075 HA LEU A 66 20.271 16.522 5.778 1.00 0.00 H ATOM 1076 HB2 LEU A 66 19.688 13.532 5.900 1.00 0.00 H ATOM 1077 HB3 LEU A 66 21.146 14.303 5.233 1.00 0.00 H ATOM 1078 HG LEU A 66 20.301 14.336 8.147 1.00 0.00 H ATOM 1079 HD21 LEU A 66 22.795 15.370 6.771 1.00 0.00 H ATOM 1080 HD22 LEU A 66 21.501 16.359 7.491 1.00 0.00 H ATOM 1081 HD23 LEU A 66 22.513 15.324 8.528 1.00 0.00 H ATOM 1082 HD11 LEU A 66 21.012 12.144 7.396 1.00 0.00 H ATOM 1083 HD12 LEU A 66 22.496 12.850 6.710 1.00 0.00 H ATOM 1084 HD13 LEU A 66 22.226 12.881 8.470 1.00 0.00 H ATOM 1085 H LEU A 66 18.296 15.013 7.393 1.00 0.00 H ATOM 1086 N ASP A 67 19.495 16.087 3.373 1.00 37.72 N ATOM 1087 CA ASP A 67 18.856 15.996 2.055 1.00 40.78 C ATOM 1088 C ASP A 67 18.887 14.540 1.594 1.00 41.41 C ATOM 1089 O ASP A 67 18.252 14.154 0.617 1.00 41.94 O ATOM 1090 CB ASP A 67 19.522 16.937 1.058 1.00 44.07 C ATOM 1091 CG ASP A 67 19.249 18.411 1.389 1.00 48.00 C ATOM 1092 OD1 ASP A 67 18.360 19.043 0.752 1.00 49.79 O ATOM 1093 OD2 ASP A 67 19.902 18.931 2.325 1.00 50.72 O ATOM 1094 HA ASP A 67 17.816 16.315 2.122 1.00 0.00 H ATOM 1095 HB2 ASP A 67 20.598 16.765 1.076 1.00 0.00 H ATOM 1096 HB3 ASP A 67 19.138 16.723 0.061 1.00 0.00 H ATOM 1097 H ASP A 67 20.429 16.533 3.472 1.00 0.00 H ATOM 1098 N SER A 68 19.633 13.743 2.352 1.00 42.02 N ATOM 1099 CA SER A 68 19.768 12.311 2.143 1.00 43.05 C ATOM 1100 C SER A 68 18.644 11.606 2.939 1.00 42.40 C ATOM 1101 O SER A 68 18.649 10.355 3.104 1.00 43.01 O ATOM 1102 CB SER A 68 21.142 11.863 2.641 1.00 44.39 C ATOM 1103 OG SER A 68 22.118 12.847 2.311 1.00 47.41 O ATOM 1104 HA SER A 68 19.683 12.057 1.086 1.00 0.00 H ATOM 1105 HB2 SER A 68 21.408 10.917 2.170 1.00 0.00 H ATOM 1106 HB3 SER A 68 21.111 11.732 3.723 1.00 0.00 H ATOM 1107 HG SER A 68 23.005 12.552 2.636 1.00 0.00 H ATOM 1108 H SER A 68 20.153 14.171 3.145 1.00 0.00 H ATOM 1109 N GLY A 69 17.763 12.420 3.535 1.00 40.73 N ATOM 1110 CA GLY A 69 16.612 11.895 4.242 1.00 37.58 C ATOM 1111 C GLY A 69 16.460 11.815 5.746 1.00 34.72 C ATOM 1112 O GLY A 69 15.342 11.913 6.235 1.00 36.41 O ATOM 1113 HA3 GLY A 69 16.499 10.871 3.887 1.00 0.00 H ATOM 1114 HA2 GLY A 69 15.767 12.492 3.899 1.00 0.00 H ATOM 1115 H GLY A 69 17.908 13.449 3.490 1.00 0.00 H ATOM 1116 N GLY A 70 17.542 11.645 6.490 1.00 31.53 N ATOM 1117 CA GLY A 70 17.378 11.506 7.924 1.00 26.85 C ATOM 1118 C GLY A 70 17.022 12.732 8.740 1.00 23.62 C ATOM 1119 O GLY A 70 17.332 13.840 8.344 1.00 23.30 O ATOM 1120 HA3 GLY A 70 18.318 11.120 8.318 1.00 0.00 H ATOM 1121 HA2 GLY A 70 16.589 10.772 8.087 1.00 0.00 H ATOM 1122 H GLY A 70 18.487 11.612 6.056 1.00 0.00 H ATOM 1123 N PHE A 71 16.307 12.500 9.844 1.00 19.52 N ATOM 1124 CA PHE A 71 15.942 13.532 10.830 1.00 16.29 C ATOM 1125 C PHE A 71 16.668 13.054 12.092 1.00 13.34 C ATOM 1126 O PHE A 71 16.712 11.846 12.353 1.00 12.66 O ATOM 1127 CB PHE A 71 14.435 13.545 11.139 1.00 15.62 C ATOM 1128 CG PHE A 71 13.591 14.120 10.050 1.00 16.28 C ATOM 1129 CD1 PHE A 71 13.171 13.333 8.994 1.00 17.01 C ATOM 1130 CD2 PHE A 71 13.194 15.446 10.098 1.00 16.76 C ATOM 1131 CE1 PHE A 71 12.350 13.860 7.988 1.00 18.84 C ATOM 1132 CE2 PHE A 71 12.374 15.986 9.098 1.00 17.27 C ATOM 1133 CZ PHE A 71 11.955 15.191 8.045 1.00 17.65 C ATOM 1134 HA PHE A 71 16.199 14.531 10.477 1.00 0.00 H ATOM 1135 HB2 PHE A 71 14.113 12.519 11.315 1.00 0.00 H ATOM 1136 HB3 PHE A 71 14.276 14.134 12.042 1.00 0.00 H ATOM 1137 HD2 PHE A 71 13.523 16.077 10.923 1.00 0.00 H ATOM 1138 HE2 PHE A 71 12.067 17.030 9.149 1.00 0.00 H ATOM 1139 HZ PHE A 71 11.318 15.607 7.264 1.00 0.00 H ATOM 1140 HE1 PHE A 71 12.022 13.228 7.163 1.00 0.00 H ATOM 1141 HD1 PHE A 71 13.482 12.290 8.943 1.00 0.00 H ATOM 1142 H PHE A 71 15.987 11.526 10.019 1.00 0.00 H ATOM 1143 N TYR A 72 17.245 13.968 12.860 1.00 11.39 N ATOM 1144 CA TYR A 72 17.937 13.593 14.107 1.00 9.90 C ATOM 1145 C TYR A 72 18.290 14.768 15.006 1.00 8.60 C ATOM 1146 O TYR A 72 18.310 15.926 14.547 1.00 8.86 O ATOM 1147 CB TYR A 72 19.232 12.823 13.795 1.00 10.71 C ATOM 1148 CG TYR A 72 20.250 13.613 13.001 1.00 10.25 C ATOM 1149 CD1 TYR A 72 21.098 14.555 13.625 1.00 11.77 C ATOM 1150 CD2 TYR A 72 20.376 13.418 11.635 1.00 13.13 C ATOM 1151 CE1 TYR A 72 22.054 15.292 12.884 1.00 13.52 C ATOM 1152 CE2 TYR A 72 21.331 14.137 10.885 1.00 17.10 C ATOM 1153 CZ TYR A 72 22.155 15.063 11.528 1.00 15.10 C ATOM 1154 OH TYR A 72 23.046 15.753 10.779 1.00 18.70 O ATOM 1155 HA TYR A 72 17.223 12.971 14.647 1.00 0.00 H ATOM 1156 HB3 TYR A 72 18.971 11.932 13.225 1.00 0.00 H ATOM 1157 HB2 TYR A 72 19.690 12.527 14.739 1.00 0.00 H ATOM 1158 HD2 TYR A 72 19.728 12.699 11.133 1.00 0.00 H ATOM 1159 HE2 TYR A 72 21.425 13.971 9.812 1.00 0.00 H ATOM 1160 HE1 TYR A 72 22.696 16.024 13.375 1.00 0.00 H ATOM 1161 HD1 TYR A 72 21.015 14.718 14.700 1.00 0.00 H ATOM 1162 HH TYR A 72 23.558 16.368 11.361 1.00 0.00 H ATOM 1163 H TYR A 72 17.209 14.968 12.578 1.00 0.00 H ATOM 1164 N ILE A 73 18.423 14.483 16.298 1.00 7.95 N ATOM 1165 CA ILE A 73 18.914 15.467 17.246 1.00 9.36 C ATOM 1166 C ILE A 73 20.451 15.145 17.318 1.00 10.44 C ATOM 1167 O ILE A 73 21.268 16.051 17.209 1.00 10.76 O ATOM 1168 CB ILE A 73 18.253 15.381 18.645 1.00 9.59 C ATOM 1169 CG1 ILE A 73 16.756 15.716 18.537 1.00 10.36 C ATOM 1170 CG2 ILE A 73 18.937 16.381 19.633 1.00 9.14 C ATOM 1171 CD1 ILE A 73 15.975 15.424 19.806 1.00 11.79 C ATOM 1172 HA ILE A 73 18.683 16.483 16.926 1.00 0.00 H ATOM 1173 HB ILE A 73 18.375 14.366 19.024 1.00 0.00 H ATOM 1174 HG12 ILE A 73 16.656 16.777 18.307 1.00 0.00 H ATOM 1175 HG13 ILE A 73 16.328 15.127 17.726 1.00 0.00 H ATOM 1176 HD11 ILE A 73 16.056 14.364 20.045 1.00 0.00 H ATOM 1177 HD12 ILE A 73 16.383 16.015 20.626 1.00 0.00 H ATOM 1178 HD13 ILE A 73 14.928 15.685 19.655 1.00 0.00 H ATOM 1179 HG21 ILE A 73 19.995 16.134 19.724 1.00 0.00 H ATOM 1180 HG22 ILE A 73 18.831 17.397 19.251 1.00 0.00 H ATOM 1181 HG23 ILE A 73 18.460 16.307 20.610 1.00 0.00 H ATOM 1182 H ILE A 73 18.169 13.533 16.637 1.00 0.00 H ATOM 1183 N THR A 74 20.820 13.864 17.476 1.00 9.95 N ATOM 1184 CA THR A 74 22.231 13.445 17.455 1.00 9.84 C ATOM 1185 C THR A 74 22.394 12.624 16.190 1.00 11.05 C ATOM 1186 O THR A 74 21.536 11.804 15.877 1.00 9.26 O ATOM 1187 CB THR A 74 22.697 12.635 18.715 1.00 10.99 C ATOM 1188 OG1 THR A 74 24.033 12.155 18.492 1.00 12.14 O ATOM 1189 CG2 THR A 74 21.777 11.445 19.037 1.00 8.92 C ATOM 1190 HA THR A 74 22.866 14.331 17.474 1.00 0.00 H ATOM 1191 HB THR A 74 22.658 13.310 19.570 1.00 0.00 H ATOM 1192 HG1 THR A 74 24.335 11.642 19.283 1.00 0.00 H ATOM 1193 HG23 THR A 74 20.763 11.807 19.207 1.00 0.00 H ATOM 1194 HG21 THR A 74 21.780 10.748 18.199 1.00 0.00 H ATOM 1195 HG22 THR A 74 22.138 10.940 19.933 1.00 0.00 H ATOM 1196 H THR A 74 20.084 13.143 17.618 1.00 0.00 H ATOM 1197 N SER A 75 23.492 12.835 15.458 1.00 10.82 N ATOM 1198 CA SER A 75 23.731 12.127 14.189 1.00 11.83 C ATOM 1199 C SER A 75 23.820 10.621 14.349 1.00 10.29 C ATOM 1200 O SER A 75 23.667 9.918 13.422 1.00 9.52 O ATOM 1201 CB SER A 75 25.007 12.644 13.504 1.00 13.02 C ATOM 1202 OG SER A 75 26.141 12.325 14.306 1.00 14.90 O ATOM 1203 HA SER A 75 22.862 12.337 13.565 1.00 0.00 H ATOM 1204 HB2 SER A 75 24.941 13.725 13.381 1.00 0.00 H ATOM 1205 HB3 SER A 75 25.110 12.174 12.526 1.00 0.00 H ATOM 1206 HG SER A 75 26.200 11.343 14.416 1.00 0.00 H ATOM 1207 H SER A 75 24.199 13.520 15.795 1.00 0.00 H ATOM 1208 N ARG A 76 24.047 10.171 15.571 1.00 12.26 N ATOM 1209 CA ARG A 76 24.153 8.756 15.869 1.00 15.61 C ATOM 1210 C ARG A 76 22.787 8.047 15.909 1.00 15.42 C ATOM 1211 O ARG A 76 22.721 6.815 15.799 1.00 16.33 O ATOM 1212 CB ARG A 76 24.862 8.578 17.216 1.00 18.69 C ATOM 1213 CG ARG A 76 26.310 9.104 17.255 1.00 24.64 C ATOM 1214 CD ARG A 76 27.280 8.179 16.495 1.00 29.50 C ATOM 1215 NE ARG A 76 27.123 6.785 16.921 1.00 34.53 N ATOM 1216 CZ ARG A 76 27.706 6.229 17.992 1.00 37.47 C ATOM 1217 NH1 ARG A 76 28.525 6.940 18.767 1.00 38.38 N ATOM 1218 NH2 ARG A 76 27.402 4.972 18.342 1.00 38.79 N ATOM 1219 HA ARG A 76 24.726 8.296 15.064 1.00 0.00 H ATOM 1220 HB2 ARG A 76 24.287 9.108 17.975 1.00 0.00 H ATOM 1221 HB3 ARG A 76 24.880 7.514 17.453 1.00 0.00 H ATOM 1222 HG2 ARG A 76 26.338 10.094 16.800 1.00 0.00 H ATOM 1223 HG3 ARG A 76 26.631 9.174 18.294 1.00 0.00 H ATOM 1224 HD2 ARG A 76 28.304 8.498 16.691 1.00 0.00 H ATOM 1225 HD3 ARG A 76 27.077 8.250 15.427 1.00 0.00 H ATOM 1226 HE ARG A 76 26.508 6.177 16.344 1.00 0.00 H ATOM 1227 HH12 ARG A 76 28.972 6.497 19.595 1.00 0.00 H ATOM 1228 HH11 ARG A 76 28.717 7.937 18.543 1.00 0.00 H ATOM 1229 HH22 ARG A 76 27.854 4.540 19.173 1.00 0.00 H ATOM 1230 HH21 ARG A 76 26.714 4.428 17.783 1.00 0.00 H ATOM 1231 H ARG A 76 24.153 10.856 16.346 1.00 0.00 H ATOM 1232 N THR A 77 21.700 8.820 16.006 1.00 13.29 N ATOM 1233 CA THR A 77 20.341 8.254 16.110 1.00 12.10 C ATOM 1234 C THR A 77 19.386 8.998 15.178 1.00 10.53 C ATOM 1235 O THR A 77 18.824 10.003 15.549 1.00 10.88 O ATOM 1236 CB THR A 77 19.858 8.359 17.570 1.00 11.92 C ATOM 1237 OG1 THR A 77 20.853 7.798 18.425 1.00 13.04 O ATOM 1238 CG2 THR A 77 18.548 7.602 17.795 1.00 10.52 C ATOM 1239 HA THR A 77 20.361 7.206 15.812 1.00 0.00 H ATOM 1240 HB THR A 77 19.688 9.413 17.791 1.00 0.00 H ATOM 1241 HG1 THR A 77 20.552 7.861 19.366 1.00 0.00 H ATOM 1242 HG23 THR A 77 17.774 8.017 17.149 1.00 0.00 H ATOM 1243 HG21 THR A 77 18.694 6.548 17.558 1.00 0.00 H ATOM 1244 HG22 THR A 77 18.246 7.703 18.837 1.00 0.00 H ATOM 1245 H THR A 77 21.816 9.853 16.008 1.00 0.00 H ATOM 1246 N GLN A 78 19.209 8.447 13.982 1.00 10.76 N ATOM 1247 CA GLN A 78 18.399 9.046 12.928 1.00 11.63 C ATOM 1248 C GLN A 78 17.088 8.313 12.609 1.00 11.89 C ATOM 1249 O GLN A 78 16.957 7.083 12.847 1.00 11.54 O ATOM 1250 CB GLN A 78 19.249 9.170 11.665 1.00 13.06 C ATOM 1251 CG GLN A 78 20.542 9.914 11.946 1.00 14.48 C ATOM 1252 CD GLN A 78 21.409 10.122 10.717 1.00 17.59 C ATOM 1253 OE1 GLN A 78 22.591 10.420 10.841 1.00 18.96 O ATOM 1254 NE2 GLN A 78 20.826 10.016 9.535 1.00 17.75 N ATOM 1255 HA GLN A 78 18.087 10.020 13.304 1.00 0.00 H ATOM 1256 HB2 GLN A 78 19.485 8.172 11.295 1.00 0.00 H ATOM 1257 HB3 GLN A 78 18.684 9.712 10.907 1.00 0.00 H ATOM 1258 HG2 GLN A 78 20.294 10.891 12.361 1.00 0.00 H ATOM 1259 HG3 GLN A 78 21.114 9.345 12.678 1.00 0.00 H ATOM 1260 HE22 GLN A 78 19.820 9.761 9.473 1.00 0.00 H ATOM 1261 HE21 GLN A 78 21.374 10.188 8.668 1.00 0.00 H ATOM 1262 H GLN A 78 19.674 7.538 13.787 1.00 0.00 H ATOM 1263 N PHE A 79 16.161 9.057 12.008 1.00 12.12 N ATOM 1264 CA PHE A 79 14.842 8.547 11.687 1.00 12.92 C ATOM 1265 C PHE A 79 14.427 8.912 10.288 1.00 13.95 C ATOM 1266 O PHE A 79 14.874 9.931 9.720 1.00 14.03 O ATOM 1267 CB PHE A 79 13.835 9.109 12.702 1.00 11.50 C ATOM 1268 CG PHE A 79 14.180 8.771 14.121 1.00 12.07 C ATOM 1269 CD1 PHE A 79 14.926 9.649 14.898 1.00 10.16 C ATOM 1270 CD2 PHE A 79 13.849 7.527 14.654 1.00 10.59 C ATOM 1271 CE1 PHE A 79 15.338 9.288 16.186 1.00 11.20 C ATOM 1272 CE2 PHE A 79 14.259 7.176 15.930 1.00 10.25 C ATOM 1273 CZ PHE A 79 15.002 8.047 16.688 1.00 10.36 C ATOM 1274 HA PHE A 79 14.867 7.459 11.741 1.00 0.00 H ATOM 1275 HB2 PHE A 79 13.808 10.194 12.600 1.00 0.00 H ATOM 1276 HB3 PHE A 79 12.850 8.700 12.477 1.00 0.00 H ATOM 1277 HD2 PHE A 79 13.263 6.824 14.062 1.00 0.00 H ATOM 1278 HE2 PHE A 79 13.990 6.201 16.335 1.00 0.00 H ATOM 1279 HZ PHE A 79 15.327 7.758 17.688 1.00 0.00 H ATOM 1280 HE1 PHE A 79 15.921 9.983 16.790 1.00 0.00 H ATOM 1281 HD1 PHE A 79 15.193 10.628 14.501 1.00 0.00 H ATOM 1282 H PHE A 79 16.392 10.040 11.760 1.00 0.00 H ATOM 1283 N ASN A 80 13.561 8.086 9.717 1.00 15.38 N ATOM 1284 CA ASN A 80 13.067 8.329 8.369 1.00 16.81 C ATOM 1285 C ASN A 80 12.039 9.476 8.298 1.00 16.70 C ATOM 1286 O ASN A 80 11.740 9.964 7.222 1.00 17.50 O ATOM 1287 CB ASN A 80 12.473 7.043 7.780 1.00 18.37 C ATOM 1288 CG ASN A 80 13.512 5.941 7.618 1.00 20.54 C ATOM 1289 OD1 ASN A 80 14.673 6.214 7.367 1.00 20.47 O ATOM 1290 ND2 ASN A 80 13.092 4.686 7.785 1.00 19.56 N ATOM 1291 HA ASN A 80 13.925 8.643 7.774 1.00 0.00 H ATOM 1292 HB2 ASN A 80 11.685 6.686 8.443 1.00 0.00 H ATOM 1293 HB3 ASN A 80 12.048 7.270 6.802 1.00 0.00 H ATOM 1294 HD22 ASN A 80 12.092 4.496 7.998 1.00 0.00 H ATOM 1295 HD21 ASN A 80 13.765 3.897 7.702 1.00 0.00 H ATOM 1296 H ASN A 80 13.229 7.251 10.241 1.00 0.00 H ATOM 1297 N SER A 81 11.493 9.883 9.442 1.00 14.45 N ATOM 1298 CA SER A 81 10.516 10.960 9.481 1.00 13.86 C ATOM 1299 C SER A 81 10.518 11.639 10.839 1.00 13.07 C ATOM 1300 O SER A 81 10.907 11.056 11.844 1.00 12.67 O ATOM 1301 CB SER A 81 9.088 10.425 9.209 1.00 12.51 C ATOM 1302 OG SER A 81 8.658 9.597 10.284 1.00 11.61 O ATOM 1303 HA SER A 81 10.795 11.675 8.707 1.00 0.00 H ATOM 1304 HB2 SER A 81 9.091 9.845 8.286 1.00 0.00 H ATOM 1305 HB3 SER A 81 8.402 11.266 9.106 1.00 0.00 H ATOM 1306 HG SER A 81 9.278 8.831 10.378 1.00 0.00 H ATOM 1307 H SER A 81 11.772 9.419 10.330 1.00 0.00 H ATOM 1308 N LEU A 82 10.026 12.871 10.847 1.00 13.19 N ATOM 1309 CA LEU A 82 9.885 13.668 12.056 1.00 14.01 C ATOM 1310 C LEU A 82 8.916 12.935 13.033 1.00 13.27 C ATOM 1311 O LEU A 82 9.100 12.911 14.265 1.00 12.29 O ATOM 1312 CB LEU A 82 9.354 15.045 11.622 1.00 15.63 C ATOM 1313 CG LEU A 82 9.522 16.249 12.521 1.00 17.54 C ATOM 1314 CD1 LEU A 82 10.982 16.338 12.951 1.00 17.91 C ATOM 1315 CD2 LEU A 82 9.109 17.504 11.762 1.00 18.69 C ATOM 1316 HA LEU A 82 10.829 13.801 12.584 1.00 0.00 H ATOM 1317 HB2 LEU A 82 9.846 15.287 10.680 1.00 0.00 H ATOM 1318 HB3 LEU A 82 8.284 14.928 11.452 1.00 0.00 H ATOM 1319 HG LEU A 82 8.893 16.155 13.407 1.00 0.00 H ATOM 1320 HD21 LEU A 82 9.738 17.616 10.879 1.00 0.00 H ATOM 1321 HD22 LEU A 82 8.066 17.417 11.458 1.00 0.00 H ATOM 1322 HD23 LEU A 82 9.229 18.374 12.408 1.00 0.00 H ATOM 1323 HD11 LEU A 82 11.257 15.431 13.490 1.00 0.00 H ATOM 1324 HD12 LEU A 82 11.614 16.443 12.069 1.00 0.00 H ATOM 1325 HD13 LEU A 82 11.116 17.203 13.600 1.00 0.00 H ATOM 1326 H LEU A 82 9.726 13.288 9.943 1.00 0.00 H ATOM 1327 N GLN A 83 7.899 12.299 12.462 1.00 13.23 N ATOM 1328 CA GLN A 83 6.914 11.552 13.223 1.00 14.06 C ATOM 1329 C GLN A 83 7.564 10.366 13.953 1.00 13.49 C ATOM 1330 O GLN A 83 7.302 10.126 15.136 1.00 12.15 O ATOM 1331 CB GLN A 83 5.782 11.099 12.272 1.00 17.89 C ATOM 1332 CG GLN A 83 5.013 12.315 11.662 1.00 21.87 C ATOM 1333 CD GLN A 83 5.348 12.687 10.197 1.00 22.49 C ATOM 1334 OE1 GLN A 83 4.436 13.096 9.409 1.00 27.26 O ATOM 1335 NE2 GLN A 83 6.608 12.579 9.814 1.00 21.01 N ATOM 1336 HA GLN A 83 6.485 12.191 13.995 1.00 0.00 H ATOM 1337 HB2 GLN A 83 6.215 10.513 11.462 1.00 0.00 H ATOM 1338 HB3 GLN A 83 5.079 10.481 12.830 1.00 0.00 H ATOM 1339 HG2 GLN A 83 3.948 12.090 11.710 1.00 0.00 H ATOM 1340 HG3 GLN A 83 5.228 13.186 12.281 1.00 0.00 H ATOM 1341 HE22 GLN A 83 7.328 12.241 10.484 1.00 0.00 H ATOM 1342 HE21 GLN A 83 6.880 12.832 8.842 1.00 0.00 H ATOM 1343 H GLN A 83 7.805 12.338 11.427 1.00 0.00 H ATOM 1344 N GLN A 84 8.473 9.666 13.275 1.00 12.84 N ATOM 1345 CA GLN A 84 9.149 8.523 13.909 1.00 12.42 C ATOM 1346 C GLN A 84 10.104 8.985 15.002 1.00 9.78 C ATOM 1347 O GLN A 84 10.279 8.300 16.011 1.00 9.32 O ATOM 1348 CB GLN A 84 9.864 7.680 12.854 1.00 14.45 C ATOM 1349 CG GLN A 84 8.881 6.830 12.060 1.00 16.09 C ATOM 1350 CD GLN A 84 9.456 6.320 10.761 1.00 17.97 C ATOM 1351 OE1 GLN A 84 9.816 7.118 9.868 1.00 20.27 O ATOM 1352 NE2 GLN A 84 9.555 5.002 10.629 1.00 17.99 N ATOM 1353 HA GLN A 84 8.396 7.897 14.387 1.00 0.00 H ATOM 1354 HB2 GLN A 84 10.393 8.343 12.169 1.00 0.00 H ATOM 1355 HB3 GLN A 84 10.580 7.024 13.349 1.00 0.00 H ATOM 1356 HG2 GLN A 84 8.589 5.975 12.670 1.00 0.00 H ATOM 1357 HG3 GLN A 84 8.001 7.433 11.837 1.00 0.00 H ATOM 1358 HE22 GLN A 84 9.242 4.377 11.399 1.00 0.00 H ATOM 1359 HE21 GLN A 84 9.945 4.595 9.755 1.00 0.00 H ATOM 1360 H GLN A 84 8.705 9.928 12.296 1.00 0.00 H ATOM 1361 N LEU A 85 10.706 10.163 14.795 1.00 10.60 N ATOM 1362 CA LEU A 85 11.622 10.757 15.792 1.00 9.98 C ATOM 1363 C LEU A 85 10.811 11.068 17.041 1.00 8.35 C ATOM 1364 O LEU A 85 11.189 10.692 18.124 1.00 7.50 O ATOM 1365 CB LEU A 85 12.284 12.033 15.245 1.00 9.24 C ATOM 1366 CG LEU A 85 13.319 12.711 16.157 1.00 9.13 C ATOM 1367 CD1 LEU A 85 14.305 13.447 15.281 1.00 9.04 C ATOM 1368 CD2 LEU A 85 12.662 13.668 17.153 1.00 9.14 C ATOM 1369 HA LEU A 85 12.423 10.055 16.024 1.00 0.00 H ATOM 1370 HB2 LEU A 85 12.784 11.774 14.312 1.00 0.00 H ATOM 1371 HB3 LEU A 85 11.494 12.757 15.044 1.00 0.00 H ATOM 1372 HG LEU A 85 13.829 11.950 16.748 1.00 0.00 H ATOM 1373 HD21 LEU A 85 12.125 14.445 16.609 1.00 0.00 H ATOM 1374 HD22 LEU A 85 11.964 13.114 17.781 1.00 0.00 H ATOM 1375 HD23 LEU A 85 13.430 14.125 17.777 1.00 0.00 H ATOM 1376 HD11 LEU A 85 14.797 12.738 14.615 1.00 0.00 H ATOM 1377 HD12 LEU A 85 13.776 14.195 14.690 1.00 0.00 H ATOM 1378 HD13 LEU A 85 15.050 13.937 15.907 1.00 0.00 H ATOM 1379 H LEU A 85 10.524 10.675 13.908 1.00 0.00 H ATOM 1380 N VAL A 86 9.655 11.718 16.860 1.00 9.27 N ATOM 1381 CA VAL A 86 8.795 12.045 17.989 1.00 9.79 C ATOM 1382 C VAL A 86 8.341 10.779 18.700 1.00 10.01 C ATOM 1383 O VAL A 86 8.448 10.684 19.935 1.00 10.39 O ATOM 1384 CB VAL A 86 7.600 12.958 17.557 1.00 11.19 C ATOM 1385 CG1 VAL A 86 6.519 13.016 18.665 1.00 12.27 C ATOM 1386 CG2 VAL A 86 8.132 14.374 17.282 1.00 11.97 C ATOM 1387 HA VAL A 86 9.374 12.626 18.706 1.00 0.00 H ATOM 1388 HB VAL A 86 7.144 12.543 16.658 1.00 0.00 H ATOM 1389 HG11 VAL A 86 6.142 12.011 18.856 1.00 0.00 H ATOM 1390 HG12 VAL A 86 6.957 13.420 19.578 1.00 0.00 H ATOM 1391 HG13 VAL A 86 5.700 13.657 18.339 1.00 0.00 H ATOM 1392 HG21 VAL A 86 8.592 14.770 18.187 1.00 0.00 H ATOM 1393 HG22 VAL A 86 8.874 14.334 16.484 1.00 0.00 H ATOM 1394 HG23 VAL A 86 7.307 15.019 16.980 1.00 0.00 H ATOM 1395 H VAL A 86 9.367 11.993 15.899 1.00 0.00 H ATOM 1396 N ALA A 87 7.979 9.746 17.943 1.00 9.83 N ATOM 1397 CA ALA A 87 7.540 8.507 18.606 1.00 10.87 C ATOM 1398 C ALA A 87 8.672 7.860 19.427 1.00 11.59 C ATOM 1399 O ALA A 87 8.473 7.470 20.585 1.00 11.53 O ATOM 1400 CB ALA A 87 6.937 7.514 17.591 1.00 10.71 C ATOM 1401 HA ALA A 87 6.754 8.779 19.311 1.00 0.00 H ATOM 1402 HB1 ALA A 87 6.076 7.972 17.104 1.00 0.00 H ATOM 1403 HB2 ALA A 87 7.688 7.261 16.842 1.00 0.00 H ATOM 1404 HB3 ALA A 87 6.623 6.610 18.112 1.00 0.00 H ATOM 1405 H ALA A 87 8.006 9.813 16.905 1.00 0.00 H ATOM 1406 N TYR A 88 9.887 7.841 18.884 1.00 11.21 N ATOM 1407 CA TYR A 88 11.015 7.255 19.613 1.00 10.49 C ATOM 1408 C TYR A 88 11.270 7.985 20.936 1.00 8.80 C ATOM 1409 O TYR A 88 11.424 7.351 21.978 1.00 9.37 O ATOM 1410 CB TYR A 88 12.280 7.261 18.713 1.00 10.61 C ATOM 1411 CG TYR A 88 13.561 6.810 19.409 1.00 12.13 C ATOM 1412 CD1 TYR A 88 13.973 5.477 19.365 1.00 12.24 C ATOM 1413 CD2 TYR A 88 14.342 7.720 20.132 1.00 12.13 C ATOM 1414 CE1 TYR A 88 15.141 5.055 20.031 1.00 13.05 C ATOM 1415 CE2 TYR A 88 15.499 7.311 20.810 1.00 12.85 C ATOM 1416 CZ TYR A 88 15.890 5.988 20.752 1.00 14.00 C ATOM 1417 OH TYR A 88 17.020 5.602 21.428 1.00 16.01 O ATOM 1418 HA TYR A 88 10.767 6.224 19.864 1.00 0.00 H ATOM 1419 HB3 TYR A 88 12.432 8.276 18.347 1.00 0.00 H ATOM 1420 HB2 TYR A 88 12.100 6.595 17.869 1.00 0.00 H ATOM 1421 HD2 TYR A 88 14.044 8.768 20.168 1.00 0.00 H ATOM 1422 HE2 TYR A 88 16.086 8.032 21.379 1.00 0.00 H ATOM 1423 HE1 TYR A 88 15.456 4.013 19.984 1.00 0.00 H ATOM 1424 HD1 TYR A 88 13.382 4.751 18.807 1.00 0.00 H ATOM 1425 HH TYR A 88 16.905 5.787 22.394 1.00 0.00 H ATOM 1426 H TYR A 88 10.037 8.244 17.937 1.00 0.00 H ATOM 1427 N TYR A 89 11.329 9.318 20.892 1.00 8.61 N ATOM 1428 CA TYR A 89 11.600 10.111 22.082 1.00 8.23 C ATOM 1429 C TYR A 89 10.445 10.188 23.098 1.00 8.76 C ATOM 1430 O TYR A 89 10.582 10.758 24.154 1.00 8.04 O ATOM 1431 CB TYR A 89 12.159 11.502 21.696 1.00 8.90 C ATOM 1432 CG TYR A 89 13.603 11.437 21.156 1.00 8.76 C ATOM 1433 CD1 TYR A 89 13.899 11.762 19.829 1.00 8.16 C ATOM 1434 CD2 TYR A 89 14.648 10.965 21.968 1.00 9.45 C ATOM 1435 CE1 TYR A 89 15.194 11.609 19.323 1.00 9.02 C ATOM 1436 CE2 TYR A 89 15.951 10.812 21.464 1.00 7.82 C ATOM 1437 CZ TYR A 89 16.208 11.128 20.150 1.00 8.02 C ATOM 1438 OH TYR A 89 17.474 10.892 19.637 1.00 10.59 O ATOM 1439 HA TYR A 89 12.372 9.569 22.629 1.00 0.00 H ATOM 1440 HB3 TYR A 89 12.146 12.140 22.579 1.00 0.00 H ATOM 1441 HB2 TYR A 89 11.518 11.934 20.927 1.00 0.00 H ATOM 1442 HD2 TYR A 89 14.444 10.713 23.009 1.00 0.00 H ATOM 1443 HE2 TYR A 89 16.751 10.446 22.108 1.00 0.00 H ATOM 1444 HE1 TYR A 89 15.410 11.865 18.286 1.00 0.00 H ATOM 1445 HD1 TYR A 89 13.110 12.140 19.179 1.00 0.00 H ATOM 1446 HH TYR A 89 17.501 11.169 18.687 1.00 0.00 H ATOM 1447 H TYR A 89 11.177 9.802 19.984 1.00 0.00 H ATOM 1448 N SER A 90 9.293 9.636 22.734 1.00 10.22 N ATOM 1449 CA SER A 90 8.154 9.563 23.655 1.00 11.55 C ATOM 1450 C SER A 90 8.334 8.298 24.509 1.00 13.91 C ATOM 1451 O SER A 90 7.672 8.139 25.550 1.00 15.29 O ATOM 1452 CB SER A 90 6.843 9.465 22.879 1.00 11.20 C ATOM 1453 OG SER A 90 6.610 10.640 22.132 1.00 11.33 O ATOM 1454 HA SER A 90 8.117 10.458 24.276 1.00 0.00 H ATOM 1455 HB2 SER A 90 6.022 9.320 23.581 1.00 0.00 H ATOM 1456 HB3 SER A 90 6.893 8.614 22.200 1.00 0.00 H ATOM 1457 HG SER A 90 7.351 10.774 21.490 1.00 0.00 H ATOM 1458 H SER A 90 9.197 9.247 21.774 1.00 0.00 H ATOM 1459 N LYS A 91 9.222 7.397 24.076 1.00 14.40 N ATOM 1460 CA LYS A 91 9.537 6.161 24.810 1.00 16.36 C ATOM 1461 C LYS A 91 10.936 6.139 25.462 1.00 16.31 C ATOM 1462 O LYS A 91 11.155 5.430 26.374 1.00 17.67 O ATOM 1463 CB LYS A 91 9.418 4.961 23.887 1.00 18.90 C ATOM 1464 CG LYS A 91 8.035 4.768 23.293 1.00 23.91 C ATOM 1465 CD LYS A 91 7.216 3.761 24.105 1.00 27.61 C ATOM 1466 CE LYS A 91 5.865 3.438 23.430 1.00 28.64 C ATOM 1467 NZ LYS A 91 5.964 3.245 21.944 1.00 28.13 N ATOM 1468 HA LYS A 91 8.810 6.119 25.621 1.00 0.00 H ATOM 1469 HB2 LYS A 91 10.127 5.087 23.069 1.00 0.00 H ATOM 1470 HB3 LYS A 91 9.675 4.066 24.454 1.00 0.00 H ATOM 1471 HG2 LYS A 91 7.515 5.726 23.286 1.00 0.00 H ATOM 1472 HG3 LYS A 91 8.135 4.403 22.271 1.00 0.00 H ATOM 1473 HD2 LYS A 91 7.789 2.839 24.205 1.00 0.00 H ATOM 1474 HD3 LYS A 91 7.025 4.178 25.094 1.00 0.00 H ATOM 1475 HE2 LYS A 91 5.177 4.260 23.625 1.00 0.00 H ATOM 1476 HE3 LYS A 91 5.470 2.523 23.871 1.00 0.00 H ATOM 1477 HZ1 LYS A 91 6.330 4.115 21.506 1.00 0.00 H ATOM 1478 HZ2 LYS A 91 6.609 2.455 21.740 1.00 0.00 H ATOM 1479 HZ3 LYS A 91 5.021 3.032 21.560 1.00 0.00 H ATOM 1480 H LYS A 91 9.714 7.578 23.178 1.00 0.00 H ATOM 1481 N HIS A 92 11.901 6.864 24.907 1.00 15.99 N ATOM 1482 CA HIS A 92 13.263 6.892 25.470 1.00 15.79 C ATOM 1483 C HIS A 92 13.644 8.328 25.790 1.00 13.48 C ATOM 1484 O HIS A 92 13.501 9.200 24.940 1.00 14.01 O ATOM 1485 CB HIS A 92 14.291 6.397 24.449 1.00 17.40 C ATOM 1486 CG HIS A 92 13.864 5.180 23.702 1.00 20.62 C ATOM 1487 ND1 HIS A 92 14.369 3.927 23.973 1.00 23.38 N ATOM 1488 CD2 HIS A 92 12.956 5.018 22.708 1.00 19.88 C ATOM 1489 CE1 HIS A 92 13.786 3.039 23.183 1.00 23.19 C ATOM 1490 NE2 HIS A 92 12.925 3.678 22.411 1.00 23.46 N ATOM 1491 HA HIS A 92 13.265 6.256 26.355 1.00 0.00 H ATOM 1492 HB2 HIS A 92 14.472 7.195 23.730 1.00 0.00 H ATOM 1493 HB3 HIS A 92 15.217 6.168 24.977 1.00 0.00 H ATOM 1494 HD2 HIS A 92 12.364 5.802 22.235 1.00 0.00 H ATOM 1495 HE1 HIS A 92 13.982 1.967 23.171 1.00 0.00 H ATOM 1496 H HIS A 92 11.691 7.424 24.056 1.00 0.00 H ATOM 1497 N ALA A 93 14.137 8.566 26.999 1.00 12.88 N ATOM 1498 CA ALA A 93 14.577 9.910 27.361 1.00 11.92 C ATOM 1499 C ALA A 93 15.961 10.176 26.697 1.00 11.65 C ATOM 1500 O ALA A 93 16.171 11.215 26.141 1.00 11.40 O ATOM 1501 CB ALA A 93 14.688 10.045 28.871 1.00 10.55 C ATOM 1502 HA ALA A 93 13.848 10.640 27.009 1.00 0.00 H ATOM 1503 HB1 ALA A 93 13.715 9.856 29.324 1.00 0.00 H ATOM 1504 HB2 ALA A 93 15.411 9.322 29.247 1.00 0.00 H ATOM 1505 HB3 ALA A 93 15.017 11.054 29.121 1.00 0.00 H ATOM 1506 H ALA A 93 14.210 7.793 27.691 1.00 0.00 H ATOM 1507 N ASP A 94 16.850 9.175 26.710 1.00 11.41 N ATOM 1508 CA ASP A 94 18.208 9.319 26.166 1.00 8.86 C ATOM 1509 C ASP A 94 18.877 10.585 26.682 1.00 8.72 C ATOM 1510 O ASP A 94 19.050 10.723 27.887 1.00 10.85 O ATOM 1511 CB ASP A 94 18.205 9.212 24.654 1.00 8.97 C ATOM 1512 CG ASP A 94 17.953 7.780 24.185 1.00 9.26 C ATOM 1513 OD1 ASP A 94 17.772 6.872 25.045 1.00 12.26 O ATOM 1514 OD2 ASP A 94 17.939 7.547 22.963 1.00 11.69 O ATOM 1515 HA ASP A 94 18.816 8.489 26.527 1.00 0.00 H ATOM 1516 HB2 ASP A 94 17.421 9.857 24.256 1.00 0.00 H ATOM 1517 HB3 ASP A 94 19.172 9.542 24.275 1.00 0.00 H ATOM 1518 H ASP A 94 16.569 8.261 27.120 1.00 0.00 H ATOM 1519 N GLY A 95 19.226 11.520 25.819 1.00 9.35 N ATOM 1520 CA GLY A 95 19.845 12.751 26.305 1.00 9.12 C ATOM 1521 C GLY A 95 18.905 13.933 26.544 1.00 9.23 C ATOM 1522 O GLY A 95 19.355 15.060 26.825 1.00 9.33 O ATOM 1523 HA3 GLY A 95 20.589 13.061 25.571 1.00 0.00 H ATOM 1524 HA2 GLY A 95 20.340 12.524 27.249 1.00 0.00 H ATOM 1525 H GLY A 95 19.062 11.382 24.801 1.00 0.00 H ATOM 1526 N LEU A 96 17.598 13.697 26.405 1.00 9.51 N ATOM 1527 CA LEU A 96 16.572 14.723 26.613 1.00 9.79 C ATOM 1528 C LEU A 96 16.287 14.933 28.092 1.00 8.93 C ATOM 1529 O LEU A 96 16.511 14.030 28.917 1.00 8.59 O ATOM 1530 CB LEU A 96 15.248 14.305 25.930 1.00 10.26 C ATOM 1531 CG LEU A 96 15.212 14.081 24.411 1.00 11.58 C ATOM 1532 CD1 LEU A 96 13.753 13.777 24.007 1.00 12.37 C ATOM 1533 CD2 LEU A 96 15.731 15.299 23.619 1.00 11.04 C ATOM 1534 HA LEU A 96 16.953 15.648 26.180 1.00 0.00 H ATOM 1535 HB2 LEU A 96 14.934 13.371 26.395 1.00 0.00 H ATOM 1536 HB3 LEU A 96 14.518 15.083 26.152 1.00 0.00 H ATOM 1537 HG LEU A 96 15.872 13.248 24.170 1.00 0.00 H ATOM 1538 HD21 LEU A 96 15.113 16.168 23.844 1.00 0.00 H ATOM 1539 HD22 LEU A 96 16.763 15.503 23.903 1.00 0.00 H ATOM 1540 HD23 LEU A 96 15.683 15.084 22.551 1.00 0.00 H ATOM 1541 HD11 LEU A 96 13.412 12.882 24.528 1.00 0.00 H ATOM 1542 HD12 LEU A 96 13.119 14.621 24.278 1.00 0.00 H ATOM 1543 HD13 LEU A 96 13.702 13.614 22.930 1.00 0.00 H ATOM 1544 H LEU A 96 17.294 12.740 26.136 1.00 0.00 H ATOM 1545 N CYS A 97 15.745 16.103 28.436 1.00 8.71 N ATOM 1546 CA CYS A 97 15.389 16.393 29.822 1.00 9.26 C ATOM 1547 C CYS A 97 14.290 15.458 30.404 1.00 8.71 C ATOM 1548 O CYS A 97 14.236 15.237 31.636 1.00 9.27 O ATOM 1549 CB CYS A 97 15.001 17.870 29.966 1.00 10.39 C ATOM 1550 SG CYS A 97 13.584 18.400 28.949 1.00 10.83 S ATOM 1551 HA CYS A 97 16.278 16.190 30.420 1.00 0.00 H ATOM 1552 HB2 CYS A 97 15.863 18.475 29.686 1.00 0.00 H ATOM 1553 HB3 CYS A 97 14.754 18.054 31.012 1.00 0.00 H ATOM 1554 HG CYS A 97 13.338 19.740 29.168 1.00 0.00 H ATOM 1555 H CYS A 97 15.573 16.821 27.704 1.00 0.00 H ATOM 1556 N HIS A 98 13.457 14.878 29.529 1.00 9.50 N ATOM 1557 CA HIS A 98 12.376 13.960 29.925 1.00 8.25 C ATOM 1558 C HIS A 98 11.841 13.365 28.636 1.00 8.62 C ATOM 1559 O HIS A 98 12.004 13.978 27.550 1.00 9.78 O ATOM 1560 CB HIS A 98 11.248 14.767 30.612 1.00 8.52 C ATOM 1561 CG HIS A 98 10.227 13.920 31.318 1.00 7.47 C ATOM 1562 ND1 HIS A 98 9.209 13.270 30.658 1.00 9.14 N ATOM 1563 CD2 HIS A 98 10.082 13.617 32.626 1.00 6.96 C ATOM 1564 CE1 HIS A 98 8.479 12.592 31.529 1.00 8.01 C ATOM 1565 NE2 HIS A 98 8.990 12.791 32.734 1.00 7.60 N ATOM 1566 HA HIS A 98 12.730 13.192 30.613 1.00 0.00 H ATOM 1567 HB2 HIS A 98 11.702 15.436 31.343 1.00 0.00 H ATOM 1568 HB3 HIS A 98 10.737 15.356 29.851 1.00 0.00 H ATOM 1569 HD2 HIS A 98 10.714 13.963 33.444 1.00 0.00 H ATOM 1570 HE1 HIS A 98 7.610 11.978 31.295 1.00 0.00 H ATOM 1571 H HIS A 98 13.580 15.087 28.518 1.00 0.00 H ATOM 1572 N ARG A 99 11.254 12.170 28.703 1.00 8.74 N ATOM 1573 CA ARG A 99 10.649 11.619 27.487 1.00 9.69 C ATOM 1574 C ARG A 99 9.456 12.552 27.108 1.00 8.02 C ATOM 1575 O ARG A 99 8.900 13.237 27.978 1.00 7.06 O ATOM 1576 CB ARG A 99 10.156 10.167 27.704 1.00 12.25 C ATOM 1577 CG ARG A 99 8.910 10.031 28.539 1.00 14.78 C ATOM 1578 CD ARG A 99 8.303 8.606 28.484 1.00 18.40 C ATOM 1579 NE ARG A 99 7.041 8.545 29.249 1.00 19.90 N ATOM 1580 CZ ARG A 99 5.816 8.741 28.738 1.00 19.20 C ATOM 1581 NH1 ARG A 99 5.626 8.988 27.438 1.00 17.95 N ATOM 1582 NH2 ARG A 99 4.781 8.802 29.569 1.00 19.35 N ATOM 1583 HA ARG A 99 11.387 11.579 26.686 1.00 0.00 H ATOM 1584 HB2 ARG A 99 9.957 9.729 26.726 1.00 0.00 H ATOM 1585 HB3 ARG A 99 10.954 9.610 28.195 1.00 0.00 H ATOM 1586 HG2 ARG A 99 9.157 10.265 29.575 1.00 0.00 H ATOM 1587 HG3 ARG A 99 8.167 10.741 28.175 1.00 0.00 H ATOM 1588 HD2 ARG A 99 9.014 7.898 28.909 1.00 0.00 H ATOM 1589 HD3 ARG A 99 8.105 8.341 27.445 1.00 0.00 H ATOM 1590 HE ARG A 99 7.107 8.333 30.265 1.00 0.00 H ATOM 1591 HH12 ARG A 99 4.664 9.136 27.072 1.00 0.00 H ATOM 1592 HH11 ARG A 99 6.440 9.032 26.793 1.00 0.00 H ATOM 1593 HH22 ARG A 99 3.822 8.953 29.195 1.00 0.00 H ATOM 1594 HH21 ARG A 99 4.930 8.699 30.593 1.00 0.00 H ATOM 1595 H ARG A 99 11.226 11.641 29.598 1.00 0.00 H ATOM 1596 N LEU A 100 9.118 12.622 25.823 1.00 8.41 N ATOM 1597 CA LEU A 100 7.997 13.464 25.355 1.00 8.62 C ATOM 1598 C LEU A 100 6.675 12.831 25.823 1.00 8.75 C ATOM 1599 O LEU A 100 6.476 11.592 25.668 1.00 9.21 O ATOM 1600 CB LEU A 100 8.021 13.605 23.836 1.00 7.59 C ATOM 1601 CG LEU A 100 9.344 14.146 23.243 1.00 5.13 C ATOM 1602 CD1 LEU A 100 9.274 14.138 21.705 1.00 7.66 C ATOM 1603 CD2 LEU A 100 9.643 15.552 23.814 1.00 5.08 C ATOM 1604 HA LEU A 100 8.093 14.464 25.777 1.00 0.00 H ATOM 1605 HB2 LEU A 100 7.835 12.622 23.403 1.00 0.00 H ATOM 1606 HB3 LEU A 100 7.219 14.285 23.548 1.00 0.00 H ATOM 1607 HG LEU A 100 10.171 13.498 23.531 1.00 0.00 H ATOM 1608 HD21 LEU A 100 8.829 16.229 23.554 1.00 0.00 H ATOM 1609 HD22 LEU A 100 9.734 15.491 24.898 1.00 0.00 H ATOM 1610 HD23 LEU A 100 10.576 15.924 23.391 1.00 0.00 H ATOM 1611 HD11 LEU A 100 9.114 13.118 21.355 1.00 0.00 H ATOM 1612 HD12 LEU A 100 8.449 14.770 21.377 1.00 0.00 H ATOM 1613 HD13 LEU A 100 10.210 14.521 21.298 1.00 0.00 H ATOM 1614 H LEU A 100 9.658 12.068 25.128 1.00 0.00 H ATOM 1615 N THR A 101 5.798 13.652 26.401 1.00 8.57 N ATOM 1616 CA THR A 101 4.508 13.178 26.915 1.00 9.50 C ATOM 1617 C THR A 101 3.304 13.609 26.040 1.00 10.75 C ATOM 1618 O THR A 101 2.884 12.847 25.179 1.00 12.30 O ATOM 1619 CB THR A 101 4.343 13.524 28.409 1.00 9.30 C ATOM 1620 OG1 THR A 101 4.533 14.924 28.633 1.00 9.89 O ATOM 1621 CG2 THR A 101 5.372 12.778 29.254 1.00 9.05 C ATOM 1622 HA THR A 101 4.514 12.090 26.844 1.00 0.00 H ATOM 1623 HB THR A 101 3.333 13.230 28.695 1.00 0.00 H ATOM 1624 HG1 THR A 101 4.422 15.121 29.597 1.00 0.00 H ATOM 1625 HG23 THR A 101 5.253 11.705 29.105 1.00 0.00 H ATOM 1626 HG21 THR A 101 6.375 13.079 28.952 1.00 0.00 H ATOM 1627 HG22 THR A 101 5.220 13.019 30.306 1.00 0.00 H ATOM 1628 H THR A 101 6.036 14.661 26.490 1.00 0.00 H ATOM 1629 N THR A 102 2.797 14.833 26.189 1.00 10.56 N ATOM 1630 CA THR A 102 1.659 15.258 25.367 1.00 11.00 C ATOM 1631 C THR A 102 1.910 16.617 24.741 1.00 10.39 C ATOM 1632 O THR A 102 2.753 17.398 25.243 1.00 9.28 O ATOM 1633 CB THR A 102 0.308 15.312 26.166 1.00 13.65 C ATOM 1634 OG1 THR A 102 0.422 16.254 27.234 1.00 16.48 O ATOM 1635 CG2 THR A 102 -0.052 13.911 26.751 1.00 15.50 C ATOM 1636 HA THR A 102 1.563 14.500 24.590 1.00 0.00 H ATOM 1637 HB THR A 102 -0.483 15.617 25.481 1.00 0.00 H ATOM 1638 HG1 THR A 102 1.153 15.976 27.841 1.00 0.00 H ATOM 1639 HG23 THR A 102 -0.139 13.191 25.938 1.00 0.00 H ATOM 1640 HG21 THR A 102 0.733 13.593 27.437 1.00 0.00 H ATOM 1641 HG22 THR A 102 -1.000 13.974 27.285 1.00 0.00 H ATOM 1642 H THR A 102 3.208 15.485 26.887 1.00 0.00 H ATOM 1643 N VAL A 103 1.160 16.904 23.675 1.00 10.31 N ATOM 1644 CA VAL A 103 1.252 18.170 22.956 1.00 10.53 C ATOM 1645 C VAL A 103 0.875 19.383 23.814 1.00 9.74 C ATOM 1646 O VAL A 103 -0.072 19.370 24.624 1.00 8.89 O ATOM 1647 CB VAL A 103 0.346 18.171 21.721 1.00 12.18 C ATOM 1648 CG1 VAL A 103 0.694 19.363 20.827 1.00 12.82 C ATOM 1649 CG2 VAL A 103 0.476 16.866 20.949 1.00 18.19 C ATOM 1650 HA VAL A 103 2.300 18.258 22.669 1.00 0.00 H ATOM 1651 HB VAL A 103 -0.690 18.262 22.048 1.00 0.00 H ATOM 1652 HG11 VAL A 103 0.547 20.288 21.384 1.00 0.00 H ATOM 1653 HG12 VAL A 103 1.735 19.288 20.512 1.00 0.00 H ATOM 1654 HG13 VAL A 103 0.047 19.359 19.950 1.00 0.00 H ATOM 1655 HG21 VAL A 103 1.509 16.738 20.626 1.00 0.00 H ATOM 1656 HG22 VAL A 103 0.190 16.034 21.593 1.00 0.00 H ATOM 1657 HG23 VAL A 103 -0.178 16.894 20.077 1.00 0.00 H ATOM 1658 H VAL A 103 0.479 16.192 23.342 1.00 0.00 H ATOM 1659 N CYS A 104 1.632 20.459 23.636 1.00 8.67 N ATOM 1660 CA CYS A 104 1.388 21.695 24.354 1.00 10.56 C ATOM 1661 C CYS A 104 0.026 22.350 24.016 1.00 10.52 C ATOM 1662 O CYS A 104 -0.390 22.363 22.884 1.00 8.74 O ATOM 1663 CB CYS A 104 2.486 22.725 24.014 1.00 8.41 C ATOM 1664 SG CYS A 104 2.598 24.162 25.121 1.00 11.53 S ATOM 1665 HA CYS A 104 1.388 21.426 25.410 1.00 0.00 H ATOM 1666 HB2 CYS A 104 2.297 23.094 23.006 1.00 0.00 H ATOM 1667 HB3 CYS A 104 3.446 22.210 24.037 1.00 0.00 H ATOM 1668 HG CYS A 104 1.403 24.852 25.099 1.00 0.00 H ATOM 1669 H CYS A 104 2.423 20.414 22.962 1.00 0.00 H ATOM 1670 N PRO A 105 -0.654 22.900 25.022 1.00 12.41 N ATOM 1671 CA PRO A 105 -1.945 23.591 24.852 1.00 14.67 C ATOM 1672 C PRO A 105 -1.594 24.955 24.277 1.00 17.40 C ATOM 1673 O PRO A 105 -0.483 25.439 24.533 1.00 17.95 O ATOM 1674 CB PRO A 105 -2.403 23.834 26.285 1.00 13.66 C ATOM 1675 CG PRO A 105 -1.629 22.856 27.110 1.00 16.75 C ATOM 1676 CD PRO A 105 -0.306 22.770 26.449 1.00 13.47 C ATOM 1677 HA PRO A 105 -2.674 23.060 24.239 1.00 0.00 H ATOM 1678 HD3 PRO A 105 0.349 23.580 26.771 1.00 0.00 H ATOM 1679 HD2 PRO A 105 0.175 21.813 26.652 1.00 0.00 H ATOM 1680 HG3 PRO A 105 -2.120 21.883 27.115 1.00 0.00 H ATOM 1681 HG2 PRO A 105 -1.525 23.214 28.134 1.00 0.00 H ATOM 1682 HB2 PRO A 105 -2.179 24.856 26.591 1.00 0.00 H ATOM 1683 HB3 PRO A 105 -3.474 23.654 26.381 1.00 0.00 H ATOM 1684 N THR A 106 -2.514 25.644 23.575 1.00 18.87 N ATOM 1685 CA THR A 106 -2.220 26.995 23.094 1.00 21.55 C ATOM 1686 C THR A 106 -2.947 28.070 23.921 1.00 23.72 C ATOM 1687 O THR A 106 -2.806 29.285 23.586 1.00 26.52 O ATOM 1688 CB THR A 106 -2.561 27.174 21.603 1.00 22.46 C ATOM 1689 OG1 THR A 106 -3.971 27.300 21.444 1.00 23.36 O ATOM 1690 CG2 THR A 106 -2.095 25.960 20.748 1.00 24.47 C ATOM 1691 HA THR A 106 -1.145 27.125 23.217 1.00 0.00 H ATOM 1692 HB THR A 106 -2.041 28.070 21.262 1.00 0.00 H ATOM 1693 HG1 THR A 106 -4.290 28.088 21.951 1.00 0.00 H ATOM 1694 HG23 THR A 106 -1.017 25.838 20.850 1.00 0.00 H ATOM 1695 HG21 THR A 106 -2.598 25.058 21.096 1.00 0.00 H ATOM 1696 HG22 THR A 106 -2.345 26.137 19.702 1.00 0.00 H ATOM 1697 H THR A 106 -3.439 25.214 23.373 1.00 0.00 H TER 1698 THR A 106 HETATM 1699 O HOH 1 5.203 13.928 32.821 1.00 8.52 O HETATM 1700 O HOH 2 16.091 16.113 33.299 1.00 16.91 O HETATM 1701 O HOH 3 19.182 9.317 21.221 1.00 10.52 O HETATM 1702 O HOH 4 5.453 33.307 17.245 1.00 13.66 O HETATM 1703 O HOH 5 7.177 20.564 32.712 1.00 8.82 O HETATM 1704 O HOH 6 5.657 20.725 35.423 1.00 16.65 O HETATM 1705 O HOH 7 0.425 12.597 16.645 1.00 22.03 O HETATM 1706 O HOH 8 15.505 34.115 19.363 1.00 23.51 O HETATM 1707 O HOH 9 20.962 18.731 16.932 1.00 15.79 O HETATM 1708 O HOH 10 16.698 35.015 15.930 1.00 20.93 O HETATM 1709 O HOH 11 20.903 4.810 18.195 1.00 26.15 O HETATM 1710 O HOH 12 18.722 4.075 19.647 1.00 25.41 O HETATM 1711 O HOH 13 5.845 6.378 20.958 1.00 15.76 O HETATM 1712 O HOH 14 21.731 8.381 20.928 1.00 15.94 O HETATM 1713 O HOH 15 19.645 15.970 29.956 1.00 23.44 O HETATM 1714 O HOH 16 3.853 31.578 29.967 1.00 42.27 O HETATM 1715 O HOH 17 3.720 11.300 22.273 1.00 24.92 O HETATM 1716 O HOH 18 12.890 28.453 30.507 1.00 24.18 O HETATM 1717 O HOH 19 10.739 33.654 26.968 1.00 29.71 O HETATM 1718 O HOH 20 7.721 33.903 26.969 1.00 41.61 O HETATM 1719 O HOH 21 10.750 29.724 14.488 1.00 39.92 O HETATM 1720 O HOH 22 4.026 10.264 24.952 1.00 24.03 O HETATM 1721 O HOH 23 7.552 4.954 14.925 1.00 28.38 O HETATM 1722 O HOH 24 10.126 31.024 12.313 1.00 42.28 O HETATM 1723 O HOH 25 11.627 29.932 10.389 1.00 25.89 O HETATM 1724 O HOH 26 15.516 17.957 35.103 1.00 26.33 O HETATM 1725 O HOH 27 15.600 31.011 25.228 1.00 25.08 O HETATM 1726 O HOH 28 -2.166 14.621 20.902 1.00 27.06 O HETATM 1727 O HOH 29 5.437 35.599 21.766 1.00 28.71 O HETATM 1728 O HOH 30 -0.123 26.986 27.052 1.00 25.95 O HETATM 1729 O HOH 31 0.520 29.780 28.979 1.00 34.25 O HETATM 1730 O HOH 32 11.601 29.455 33.502 1.00 60.34 O HETATM 1731 O HOH 33 2.618 11.357 14.582 1.00 29.18 O HETATM 1732 O HOH 34 10.013 3.837 7.885 1.00 27.76 O HETATM 1733 O HOH 35 -2.636 22.531 21.354 1.00 13.62 O HETATM 1734 O HOH 36 8.775 9.028 31.935 1.00 21.66 O HETATM 1735 O HOH 37 22.643 20.439 15.286 1.00 19.68 O HETATM 1736 O HOH 38 16.468 26.965 27.488 1.00 28.72 O HETATM 1737 O HOH 39 4.543 10.344 16.192 1.00 22.03 O HETATM 1738 O HOH 40 23.506 19.918 12.897 1.00 43.74 O HETATM 1739 O HOH 41 -0.174 14.638 22.698 1.00 36.85 O HETATM 1740 O HOH 42 0.501 29.111 34.741 1.00 49.07 O HETATM 1741 O HOH 43 15.929 25.473 31.451 1.00 35.80 O HETATM 1742 O HOH 44 -4.029 16.571 20.106 1.00 23.22 O HETATM 1743 O HOH 45 -2.901 21.090 18.968 1.00 38.43 O HETATM 1744 O HOH 46 15.672 16.822 44.256 1.00 31.06 O HETATM 1745 O HOH 47 30.566 7.934 20.664 1.00 30.10 O HETATM 1746 O HOH 48 8.891 6.602 6.578 1.00 52.15 O HETATM 1747 O HOH 49 27.423 9.733 13.316 1.00 34.72 O HETATM 1748 O HOH 50 1.087 24.375 11.794 1.00 52.44 O HETATM 1749 O HOH 51 11.627 11.232 34.264 1.00 28.71 O HETATM 1750 O HOH 52 3.422 33.258 13.752 1.00 42.92 O HETATM 1751 O HOH 53 20.132 31.795 22.014 1.00 52.47 O HETATM 1752 O HOH 54 1.228 29.959 31.977 1.00 50.60 O HETATM 1753 O HOH 55 24.517 7.167 11.629 1.00 33.25 O HETATM 1754 O HOH 56 24.209 3.836 14.818 1.00 45.91 O HETATM 1755 O HOH 57 -4.745 19.045 19.355 1.00 22.29 O HETATM 1756 O HOH 58 0.210 28.156 17.689 1.00 35.44 O HETATM 1757 O HOH 59 9.906 30.431 7.568 1.00 48.63 O HETATM 1758 O HOH 60 -4.473 26.352 30.788 1.00 66.91 O HETATM 1759 O HOH 61 5.444 36.594 24.280 1.00 32.45 O HETATM 1760 O HOH 62 6.716 29.269 6.871 1.00 35.52 O HETATM 1761 O HOH 63 9.446 27.797 5.293 1.00 94.86 O HETATM 1762 O HOH 64 30.875 7.622 15.262 1.00 48.66 O HETATM 1763 O HOH 65 20.797 6.123 13.389 1.00 13.47 O HETATM 1764 O HOH 66 19.504 32.614 24.792 1.00 65.99 O HETATM 1765 O HOH 67 8.742 6.808 35.532 1.00 45.63 O HETATM 1766 O HOH 68 18.679 17.504 27.892 1.00 18.33 O HETATM 1767 O HOH 69 4.208 23.016 37.150 1.00 37.40 O HETATM 1768 O HOH 70 -0.038 20.020 29.422 1.00 31.06 O HETATM 1769 O HOH 71 0.696 34.285 28.582 1.00 46.23 O HETATM 1770 O HOH 72 20.056 20.868 20.517 1.00 7.85 O HETATM 1771 O HOH 73 6.620 25.153 8.779 1.00 31.19 O HETATM 1772 O HOH 74 6.035 34.929 10.786 1.00 30.52 O HETATM 1773 O HOH 75 8.105 26.311 38.814 1.00 23.38 O HETATM 1774 O HOH 76 14.860 5.046 12.561 1.00 14.85 O HETATM 1775 O HOH 77 -2.239 18.884 34.156 1.00 13.39 O HETATM 1776 O HOH 78 14.703 21.448 34.979 1.00 29.56 O HETATM 1777 O HOH 79 13.965 17.705 41.583 1.00 25.98 O HETATM 1778 O HOH 80 17.578 25.080 25.696 1.00 9.06 O HETATM 1779 O HOH 81 18.513 11.865 17.370 1.00 7.25 O HETATM 1780 O HOH 82 8.492 13.694 8.461 1.00 15.30 O HETATM 1781 O HOH 83 8.445 3.335 12.595 1.00 31.14 O HETATM 1782 O HOH 84 18.906 12.938 29.660 1.00 9.17 O HETATM 1783 O HOH 85 11.449 22.965 6.528 1.00 58.20 O HETATM 1784 O HOH 86 5.972 35.729 26.769 1.00 42.00 O HETATM 1785 O HOH 87 18.624 20.533 8.834 1.00 34.69 O HETATM 1786 O HOH 88 12.835 5.779 10.945 1.00 20.58 O HETATM 1787 O HOH 89 10.433 11.487 36.965 1.00 39.28 O HETATM 1788 O HOH 90 -2.818 31.741 23.843 1.00 40.35 O HETATM 1789 O HOH 91 12.608 15.519 34.648 1.00 24.34 O HETATM 1790 O HOH 92 14.951 29.780 8.563 1.00 51.54 O HETATM 1791 O HOH 93 4.776 4.401 19.146 1.00 36.43 O HETATM 1792 O HOH 94 16.025 27.891 32.169 1.00 52.05 O HETATM 1793 O HOH 95 10.952 24.013 42.417 1.00 30.36 O HETATM 1794 O HOH 96 -1.067 23.542 16.070 1.00 33.55 O HETATM 1795 O HOH 97 3.689 36.514 28.392 1.00 50.87 O HETATM 1796 O HOH 98 10.631 33.442 30.253 1.00 52.24 O HETATM 1797 O HOH 99 19.613 24.201 27.303 1.00 29.45 O HETATM 1798 O HOH 100 9.061 12.542 5.988 1.00 37.08 O HETATM 1799 O HOH 101 12.633 10.617 38.119 1.00 22.70 O HETATM 1800 O HOH 102 10.001 16.664 38.911 1.00 25.03 O HETATM 1801 O HOH 103 3.391 27.950 10.245 1.00 32.90 O HETATM 1802 O HOH 104 5.357 10.695 32.465 1.00 47.82 O HETATM 1803 O HOH 105 0.909 30.505 18.751 1.00 46.22 O HETATM 1804 O HOH 106 1.390 27.530 15.216 1.00 49.09 O HETATM 1805 O HOH 107 3.161 25.292 9.114 1.00 52.73 O HETATM 1806 O HOH 108 5.261 25.890 38.526 1.00 45.85 O HETATM 1807 O HOH 109 7.072 9.289 34.675 1.00 36.93 O HETATM 1808 O HOH 110 26.497 6.517 13.349 1.00 54.93 O HETATM 1809 O HOH 111 8.366 11.738 35.132 1.00 27.51 O HETATM 1810 O HOH 112 30.224 9.440 18.328 1.00 33.66 O HETATM 1811 O HOH 113 1.553 15.646 29.414 1.00 27.04 O HETATM 1812 O HOH 114 21.957 29.120 19.544 1.00 39.31 O HETATM 1813 O HOH 115 28.592 11.352 18.304 1.00 37.40 O HETATM 1814 O HOH 116 18.262 25.072 30.306 1.00 42.14 O HETATM 1815 O HOH 117 26.811 21.828 12.377 1.00 45.18 O HETATM 1816 O HOH 118 14.431 32.919 28.318 1.00 54.08 O HETATM 1817 O HOH 119 6.302 6.807 32.926 1.00 45.06 O HETATM 1818 O HOH 120 17.091 29.334 26.637 1.00 40.72 O HETATM 1819 C1 UNN A 121 19.424 24.957 20.125 1.00 -0.01 C HETATM 1820 C2 UNN A 121 19.980 25.896 19.251 1.00 -0.03 C HETATM 1821 C3 UNN A 121 19.192 26.379 18.181 1.00 -0.04 C HETATM 1822 C4 UNN A 121 17.802 26.000 18.091 1.00 0.02 C HETATM 1823 C5 UNN A 121 17.285 25.070 18.997 1.00 -0.04 C HETATM 1824 C6 UNN A 121 18.083 24.502 19.987 1.00 -0.03 C HETATM 1825 H4 UNN A 121 17.691 23.730 20.639 1.00 0.07 H HETATM 1826 H3 UNN A 121 16.241 24.785 18.928 1.00 0.08 H HETATM 1827 C11 UNN A 121 16.919 26.646 17.014 1.00 0.29 C HETATM 1828 F12 UNN A 121 15.889 25.817 16.710 1.00 -0.24 F HETATM 1829 F13 UNN A 121 17.614 26.876 15.872 1.00 -0.24 F HETATM 1830 P14 UNN A 121 16.322 28.346 17.448 1.00 0.10 P HETATM 1831 O15 UNN A 121 15.194 28.700 16.453 1.00 -0.57 O HETATM 1832 O16 UNN A 121 17.382 29.330 17.251 1.00 -0.57 O HETATM 1833 O17 UNN A 121 15.689 28.476 18.865 1.00 -0.57 O HETATM 1834 H2 UNN A 121 19.629 27.030 17.433 1.00 0.08 H HETATM 1835 H1 UNN A 121 20.996 26.247 19.391 1.00 0.07 H HETATM 1836 C18 UNN A 121 20.307 24.395 21.177 1.00 0.04 C HETATM 1837 C19 UNN A 121 19.948 25.017 22.521 1.00 0.14 C HETATM 1838 C22 UNN A 121 20.696 24.299 23.618 1.00 0.21 C HETATM 1839 N23 UNN A 121 19.966 23.275 24.180 1.00 -0.26 N HETATM 1840 C32 UNN A 121 20.577 22.341 25.085 1.00 0.13 C HETATM 1841 C33 UNN A 121 21.628 21.546 24.261 1.00 0.21 C HETATM 1842 N34 UNN A 121 22.433 20.607 24.969 1.00 -0.26 N HETATM 1843 C38 UNN A 121 22.257 20.268 26.396 1.00 0.04 C HETATM 1844 C39 UNN A 121 20.935 19.543 26.611 1.00 -0.03 C HETATM 1845 C46 UNN A 121 19.763 20.543 26.823 1.00 -0.05 C HETATM 1846 C49 UNN A 121 19.448 21.442 25.581 1.00 -0.01 C HETATM 1847 H22 UNN A 121 19.162 20.778 24.752 1.00 0.03 H HETATM 1848 H23 UNN A 121 18.598 22.088 25.844 1.00 0.03 H HETATM 1849 H20 UNN A 121 20.020 21.200 27.667 1.00 0.03 H HETATM 1850 H21 UNN A 121 18.859 19.966 27.069 1.00 0.03 H HETATM 1851 H16 UNN A 121 21.021 18.900 27.499 1.00 0.03 H HETATM 1852 H17 UNN A 121 20.720 18.923 25.728 1.00 0.03 H HETATM 1853 H14 UNN A 121 22.264 21.193 26.992 1.00 0.05 H HETATM 1854 H15 UNN A 121 23.084 19.618 26.718 1.00 0.05 H HETATM 1855 C42 UNN A 121 23.385 19.725 24.236 1.00 0.07 C HETATM 1856 C43 UNN A 121 22.769 18.366 23.943 1.00 -0.02 C HETATM 1857 C58 UNN A 121 21.695 18.298 23.016 1.00 -0.06 C HETATM 1858 C59 UNN A 121 21.081 17.048 22.727 1.00 -0.06 C HETATM 1859 C60 UNN A 121 21.603 15.930 23.390 1.00 -0.02 C HETATM 1860 C61 UNN A 121 22.653 16.003 24.333 1.00 -0.06 C HETATM 1861 C62 UNN A 121 23.222 17.220 24.614 1.00 -0.06 C HETATM 1862 H27 UNN A 121 24.015 17.295 25.349 1.00 0.06 H HETATM 1863 H26 UNN A 121 23.006 15.106 24.830 1.00 0.06 H HETATM 1864 C67 UNN A 121 20.930 14.624 23.089 1.00 -0.02 C HETATM 1865 C68 UNN A 121 21.663 13.405 23.005 1.00 -0.06 C HETATM 1866 C69 UNN A 121 20.967 12.193 22.717 1.00 -0.06 C HETATM 1867 C70 UNN A 121 19.583 12.175 22.533 1.00 -0.06 C HETATM 1868 C71 UNN A 121 18.825 13.349 22.696 1.00 -0.06 C HETATM 1869 C72 UNN A 121 19.501 14.572 22.955 1.00 -0.06 C HETATM 1870 H32 UNN A 121 18.926 15.485 23.053 1.00 0.06 H HETATM 1871 H31 UNN A 121 17.744 13.321 22.625 1.00 0.06 H HETATM 1872 H30 UNN A 121 19.089 11.249 22.262 1.00 0.06 H HETATM 1873 H29 UNN A 121 21.525 11.267 22.639 1.00 0.06 H HETATM 1874 H28 UNN A 121 22.736 13.398 23.158 1.00 0.06 H HETATM 1875 H25 UNN A 121 20.254 16.965 22.031 1.00 0.06 H HETATM 1876 H24 UNN A 121 21.343 19.200 22.528 1.00 0.06 H HETATM 1877 H18 UNN A 121 24.287 19.584 24.849 1.00 0.07 H HETATM 1878 H19 UNN A 121 23.659 20.206 23.285 1.00 0.07 H HETATM 1879 O37 UNN A 121 21.759 21.665 23.038 1.00 -0.39 O HETATM 1880 H13 UNN A 121 21.061 22.854 25.930 1.00 0.08 H HETATM 1881 H8 UNN A 121 18.996 23.180 23.955 1.00 0.19 H HETATM 1882 O24 UNN A 121 21.853 24.655 23.928 1.00 -0.39 O HETATM 1883 N25 UNN A 121 20.283 26.422 22.537 1.00 -0.26 N HETATM 1884 C26 UNN A 121 19.561 27.345 23.164 1.00 0.18 C HETATM 1885 O27 UNN A 121 18.620 27.065 23.898 1.00 -0.40 O HETATM 1886 C28 UNN A 121 19.967 28.821 22.838 1.00 0.03 C HETATM 1887 H10 UNN A 121 19.320 29.512 23.398 1.00 0.05 H HETATM 1888 H11 UNN A 121 19.851 29.003 21.759 1.00 0.05 H HETATM 1889 H12 UNN A 121 21.015 28.985 23.127 1.00 0.05 H HETATM 1890 H9 UNN A 121 21.104 26.717 22.049 1.00 0.19 H HETATM 1891 H7 UNN A 121 18.867 24.907 22.689 1.00 0.08 H HETATM 1892 H5 UNN A 121 21.356 24.622 20.936 1.00 0.05 H HETATM 1893 H6 UNN A 121 20.170 23.305 21.228 1.00 0.05 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1819 1820 1824 1836 CONECT 1820 1819 1821 1835 CONECT 1821 1820 1822 1834 CONECT 1822 1821 1823 1827 CONECT 1823 1822 1824 1826 CONECT 1824 1819 1823 1825 CONECT 1825 1824 CONECT 1826 1823 CONECT 1827 1822 1828 1829 1830 CONECT 1828 1827 CONECT 1829 1827 CONECT 1830 1827 1831 1832 1833 CONECT 1831 1830 CONECT 1832 1830 CONECT 1833 1830 CONECT 1834 1821 CONECT 1835 1820 CONECT 1836 1819 1837 1892 1893 CONECT 1837 1836 1838 1883 1891 CONECT 1838 1837 1839 1882 CONECT 1839 1838 1840 1881 CONECT 1840 1839 1841 1846 1880 CONECT 1841 1840 1842 1879 CONECT 1842 1841 1843 1855 CONECT 1843 1842 1844 1853 1854 CONECT 1844 1843 1845 1851 1852 CONECT 1845 1844 1846 1849 1850 CONECT 1846 1840 1845 1847 1848 CONECT 1847 1846 CONECT 1848 1846 CONECT 1849 1845 CONECT 1850 1845 CONECT 1851 1844 CONECT 1852 1844 CONECT 1853 1843 CONECT 1854 1843 CONECT 1855 1842 1856 1877 1878 CONECT 1856 1855 1857 1861 CONECT 1857 1856 1858 1876 CONECT 1858 1857 1859 1875 CONECT 1859 1858 1860 1864 CONECT 1860 1859 1861 1863 CONECT 1861 1856 1860 1862 CONECT 1862 1861 CONECT 1863 1860 CONECT 1864 1859 1865 1869 CONECT 1865 1864 1866 1874 CONECT 1866 1865 1867 1873 CONECT 1867 1866 1868 1872 CONECT 1868 1867 1869 1871 CONECT 1869 1864 1868 1870 CONECT 1870 1869 CONECT 1871 1868 CONECT 1872 1867 CONECT 1873 1866 CONECT 1874 1865 CONECT 1875 1858 CONECT 1876 1857 CONECT 1877 1855 CONECT 1878 1855 CONECT 1879 1841 CONECT 1880 1840 CONECT 1881 1839 CONECT 1882 1838 CONECT 1883 1837 1884 1890 CONECT 1884 1883 1885 1886 CONECT 1885 1884 CONECT 1886 1884 1887 1888 1889 CONECT 1887 1886 CONECT 1888 1886 CONECT 1889 1886 CONECT 1890 1883 CONECT 1891 1837 CONECT 1892 1836 CONECT 1893 1836 MASTER 0 0 0 0 0 0 0 0 1892 1 79 9 END
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Related entries of code: 1o47
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a07
RCSB PDB
PDBbind
107aa, >1A07_1|Chains... at 99%
1a08
RCSB PDB
PDBbind
107aa, >1A08_1|Chains... at 99%
1a09
RCSB PDB
PDBbind
107aa, >1A09_1|Chains... at 99%
1a1b
RCSB PDB
PDBbind
107aa, >1A1B_1|Chains... at 99%
1a1c
RCSB PDB
PDBbind
107aa, >1A1C_1|Chains... at 99%
1a1e
RCSB PDB
PDBbind
107aa, >1A1E_1|Chains... at 99%
1is0
RCSB PDB
PDBbind
106aa, >1IS0_1|Chains... at 97%
1nlp
RCSB PDB
PDBbind
64aa, >1NLP_1|Chain... at 93%
1nzl
RCSB PDB
PDBbind
103aa, >1NZL_1|Chains... at 97%
1nzv
RCSB PDB
PDBbind
103aa, >1NZV_1|Chains... at 97%
1o41
RCSB PDB
PDBbind
108aa, >1O41_1|Chain... at 100%
1o42
RCSB PDB
PDBbind
108aa, >1O42_1|Chain... at 100%
1o43
RCSB PDB
PDBbind
108aa, >1O43_1|Chain... at 100%
1o44
RCSB PDB
PDBbind
108aa, >1O44_1|Chain... at 100%
1o45
RCSB PDB
PDBbind
108aa, >1O45_1|Chain... at 100%
1o46
RCSB PDB
PDBbind
108aa, >1O46_1|Chain... at 100%
1o48
RCSB PDB
PDBbind
108aa, >1O48_1|Chain... at 100%
1o49
RCSB PDB
PDBbind
108aa, >1O49_1|Chain... at 100%
1o4a
RCSB PDB
PDBbind
108aa, >1O4A_1|Chain... at 100%
1o4b
RCSB PDB
PDBbind
108aa, >1O4B_1|Chain... at 100%
1o4d
RCSB PDB
PDBbind
108aa, >1O4D_1|Chain... at 100%
1o4e
RCSB PDB
PDBbind
108aa, >1O4E_1|Chain... at 100%
1o4f
RCSB PDB
PDBbind
108aa, >1O4F_1|Chain... at 100%
1o4g
RCSB PDB
PDBbind
108aa, >1O4G_1|Chain... at 100%
1o4h
RCSB PDB
PDBbind
108aa, >1O4H_1|Chain... at 100%
1o4i
RCSB PDB
PDBbind
108aa, >1O4I_1|Chain... at 100%
1o4j
RCSB PDB
PDBbind
108aa, >1O4J_1|Chain... at 100%
1o4k
RCSB PDB
PDBbind
108aa, >1O4K_1|Chain... at 100%
1o4l
RCSB PDB
PDBbind
108aa, >1O4L_1|Chain... at 100%
1o4m
RCSB PDB
PDBbind
108aa, >1O4M_1|Chain... at 100%
1o4n
RCSB PDB
PDBbind
108aa, >1O4N_1|Chain... at 100%
1o4o
RCSB PDB
PDBbind
108aa, >1O4O_1|Chain... at 100%
1o4p
RCSB PDB
PDBbind
108aa, >1O4P_1|Chain... at 100%
1o4q
RCSB PDB
PDBbind
108aa, >1O4Q_1|Chain... at 100%
1o4r
RCSB PDB
PDBbind
108aa, >1O4R_1|Chain... at 100%
1prl
RCSB PDB
PDBbind
64aa, >1PRL_1|Chain... at 96%
1prm
RCSB PDB
PDBbind
64aa, >1PRM_1|Chain... at 96%
1rlp
RCSB PDB
PDBbind
64aa, >1RLP_1|Chain... at 96%
1rlq
RCSB PDB
PDBbind
64aa, >1RLQ_1|Chain... at 96%
1shd
RCSB PDB
PDBbind
107aa, >1SHD_1|Chain... at 99%
1skj
RCSB PDB
PDBbind
113aa, >1SKJ_1|Chain... at 90%
1y57
RCSB PDB
PDBbind
452aa, >1Y57_1|Chain... at 99%
2bdf
RCSB PDB
PDBbind
279aa, >2BDF_1|Chains... at 100%
2bdj
RCSB PDB
PDBbind
279aa, >2BDJ_1|Chain... at 100%
2h8h
RCSB PDB
PDBbind
535aa, >2H8H_1|Chain... *
2hwo
RCSB PDB
PDBbind
286aa, >2HWO_1|Chains... at 97%
2hwp
RCSB PDB
PDBbind
286aa, >2HWP_1|Chains... at 97%
2oiq
RCSB PDB
PDBbind
286aa, >2OIQ_1|Chains... at 98%
2qlq
RCSB PDB
PDBbind
286aa, >2QLQ_1|Chains... at 97%
2qq7
RCSB PDB
PDBbind
286aa, >2QQ7_1|Chains... at 97%
3el7
RCSB PDB
PDBbind
286aa, >3EL7_1|Chain... at 98%
3el8
RCSB PDB
PDBbind
286aa, >3EL8_1|Chains... at 98%
3f3t
RCSB PDB
PDBbind
286aa, >3F3T_1|Chains... at 97%
3f3u
RCSB PDB
PDBbind
286aa, >3F3U_1|Chains... at 97%
3f3v
RCSB PDB
PDBbind
286aa, >3F3V_1|Chains... at 97%
3f3w
RCSB PDB
PDBbind
286aa, >3F3W_1|Chains... at 97%
3g5d
RCSB PDB
PDBbind
286aa, >3G5D_1|Chains... at 97%
3g6g
RCSB PDB
PDBbind
286aa, >3G6G_1|Chains... at 98%
3g6h
RCSB PDB
PDBbind
286aa, >3G6H_1|Chains... at 97%
3lok
RCSB PDB
PDBbind
286aa, >3LOK_1|Chains... at 97%
3svv
RCSB PDB
PDBbind
286aa, >3SVV_1|Chains... at 97%
3u4w
RCSB PDB
PDBbind
275aa, >3U4W_1|Chain... at 99%
3u51
RCSB PDB
PDBbind
275aa, >3U51_1|Chains... at 99%
3uqf
RCSB PDB
PDBbind
286aa, >3UQF_1|Chains... at 98%
3uqg
RCSB PDB
PDBbind
286aa, >3UQG_1|Chains... at 98%
4dgg
RCSB PDB
PDBbind
286aa, >4DGG_1|Chains... at 98%
4fic
RCSB PDB
PDBbind
286aa, >4FIC_1|Chains... at 98%
4hxj
RCSB PDB
PDBbind
60aa, >4HXJ_1|Chains... at 98%
4lgg
RCSB PDB
PDBbind
270aa, >4LGG_1|Chains... at 98%
4lgh
RCSB PDB
PDBbind
277aa, >4LGH_1|Chains... at 98%
4mcv
RCSB PDB
PDBbind
278aa, >4MCV_1|Chains... at 98%
4o2p
RCSB PDB
PDBbind
286aa, >4O2P_1|Chains... at 98%
4u5j
RCSB PDB
PDBbind
286aa, >4U5J_1|Chains... at 98%
4ybj
RCSB PDB
PDBbind
286aa, >4YBJ_1|Chains... at 98%
4ybk
RCSB PDB
PDBbind
286aa, >4YBK_1|Chain... at 98%
5bmm
RCSB PDB
PDBbind
286aa, >5BMM_1|Chains... at 98%
5d10
RCSB PDB
PDBbind
286aa, >5D10_1|Chains... at 97%
5d11
RCSB PDB
PDBbind
286aa, >5D11_1|Chains... at 97%
5d12
RCSB PDB
PDBbind
286aa, >5D12_1|Chains... at 97%
6f3f
RCSB PDB
PDBbind
455aa, >6F3F_1|Chain... at 98%
5xp7
RCSB PDB
PDBbind
286aa, >5XP7_1|Chains... at 98%
5teh
RCSB PDB
PDBbind
286aa, >5TEH_1|Chains... at 97%
5sys
RCSB PDB
PDBbind
286aa, >5SYS_1|Chains... at 97%
5swh
RCSB PDB
PDBbind
286aa, >5SWH_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1o47
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
proto-oncogene tyrosine-protein kinase src
Ligand Name
822
EC.Number
E.C.2.7.1.112
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=4nM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
J.Med.Chem. v46 pp. 5184-95, 2003
Ligand Properties
Formula
C
3
1
H
3
5
F
2
N
3
O
6
P
Molecular Weight
614.597
Exact Mass
614.223
No. of atoms
78
No. of bonds
81
Polar Surface Area
152.79
LOGP Value
2.96 (
Computed with XLOGP3
)
4.61 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
CC(=O)N[C@H](C(=O)N[C@H]1CCCCN(C1=O)Cc1ccc(cc1)c1ccccc1)Cc1ccc(cc1)C(P(O)(O)O)(F)F
InChI String
InChI=1S/C31H36F2N3O6P/c1-21(37)34-28(19-22-12-16-26(17-13-22)31(32,33)43(40,41)42)29(38)35-27-9-5-6-18-36(30(27)39)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28,40-43H,5-6,9,18-20H2,1H3,(H,34,37)(H,35,38)/t27-,28-/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):
P12931
Entrez Gene ID
NCBI Entrez Gene ID:
6714
ASD
Information of known allosteric effects of PDB entries
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