Browse entries in the PDBbind-CN Database
HEADER 1O4B_COMPLEX COMPND 1O4B_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 235 75 ATOM 1 N SER A 1 2.700 14.433 5.450 1.00 56.38 N ATOM 2 CA SER A 1 2.865 15.913 5.634 1.00 56.18 C ATOM 3 C SER A 1 2.891 16.351 7.095 1.00 54.37 C ATOM 4 O SER A 1 2.036 15.973 7.908 1.00 54.76 O ATOM 5 CB SER A 1 1.769 16.691 4.890 1.00 57.47 C ATOM 6 OG SER A 1 1.890 18.100 5.097 1.00 59.69 O ATOM 7 HA SER A 1 3.841 16.146 5.209 1.00 0.00 H ATOM 8 HB2 SER A 1 0.795 16.363 5.251 1.00 0.00 H ATOM 9 HB3 SER A 1 1.849 16.482 3.823 1.00 0.00 H ATOM 10 HG SER A 1 1.170 18.568 4.604 1.00 0.00 H ATOM 11 HN3 SER A 1 1.803 14.129 5.881 1.00 0.00 H ATOM 12 HN2 SER A 1 3.491 13.938 5.908 1.00 0.00 H ATOM 13 HN1 SER A 1 2.691 14.210 4.434 1.00 0.00 H ATOM 14 N ILE A 2 3.844 17.234 7.381 1.00 51.85 N ATOM 15 CA ILE A 2 4.056 17.783 8.718 1.00 49.41 C ATOM 16 C ILE A 2 3.104 18.935 9.017 1.00 47.15 C ATOM 17 O ILE A 2 2.678 19.104 10.151 1.00 45.94 O ATOM 18 CB ILE A 2 5.488 18.326 8.879 1.00 48.88 C ATOM 19 CG1 ILE A 2 5.682 19.510 7.940 1.00 47.13 C ATOM 20 CG2 ILE A 2 6.507 17.230 8.572 1.00 48.65 C ATOM 21 CD1 ILE A 2 6.918 20.263 8.172 1.00 49.60 C ATOM 22 HA ILE A 2 3.876 16.959 9.409 1.00 0.00 H ATOM 23 HB ILE A 2 5.639 18.653 9.908 1.00 0.00 H ATOM 24 HG12 ILE A 2 5.696 19.136 6.916 1.00 0.00 H ATOM 25 HG13 ILE A 2 4.839 20.189 8.066 1.00 0.00 H ATOM 26 HD11 ILE A 2 6.917 20.656 9.189 1.00 0.00 H ATOM 27 HD12 ILE A 2 7.775 19.603 8.037 1.00 0.00 H ATOM 28 HD13 ILE A 2 6.978 21.088 7.462 1.00 0.00 H ATOM 29 HG21 ILE A 2 6.362 16.397 9.260 1.00 0.00 H ATOM 30 HG22 ILE A 2 6.369 16.884 7.547 1.00 0.00 H ATOM 31 HG23 ILE A 2 7.514 17.629 8.690 1.00 0.00 H ATOM 32 H ILE A 2 4.470 17.550 6.613 1.00 0.00 H ATOM 33 N GLN A 3 2.764 19.716 7.997 1.00 45.47 N ATOM 34 CA GLN A 3 1.875 20.856 8.195 1.00 44.82 C ATOM 35 C GLN A 3 0.474 20.452 8.638 1.00 43.05 C ATOM 36 O GLN A 3 -0.283 21.246 9.206 1.00 42.32 O ATOM 37 CB GLN A 3 1.844 21.733 6.949 1.00 46.44 C ATOM 38 CG GLN A 3 3.156 22.523 6.737 1.00 49.43 C ATOM 39 CD GLN A 3 3.100 23.471 5.562 1.00 52.29 C ATOM 40 OE1 GLN A 3 3.551 24.628 5.648 1.00 52.97 O ATOM 41 NE2 GLN A 3 2.560 22.986 4.437 1.00 53.38 N ATOM 42 HA GLN A 3 2.285 21.441 9.018 1.00 0.00 H ATOM 43 HB2 GLN A 3 1.676 21.097 6.080 1.00 0.00 H ATOM 44 HB3 GLN A 3 1.022 22.442 7.043 1.00 0.00 H ATOM 45 HG2 GLN A 3 3.362 23.100 7.638 1.00 0.00 H ATOM 46 HG3 GLN A 3 3.965 21.812 6.570 1.00 0.00 H ATOM 47 HE22 GLN A 3 2.196 22.012 4.413 1.00 0.00 H ATOM 48 HE21 GLN A 3 2.505 23.583 3.587 1.00 0.00 H ATOM 49 H GLN A 3 3.136 19.512 7.047 1.00 0.00 H ATOM 50 N ALA A 4 0.154 19.189 8.378 1.00 40.43 N ATOM 51 CA ALA A 4 -1.133 18.605 8.735 1.00 37.50 C ATOM 52 C ALA A 4 -1.067 18.067 10.165 1.00 34.67 C ATOM 53 O ALA A 4 -2.095 17.859 10.811 1.00 34.82 O ATOM 54 CB ALA A 4 -1.480 17.467 7.758 1.00 37.65 C ATOM 55 HA ALA A 4 -1.908 19.369 8.674 1.00 0.00 H ATOM 56 HB1 ALA A 4 -1.533 17.864 6.744 1.00 0.00 H ATOM 57 HB2 ALA A 4 -0.709 16.698 7.809 1.00 0.00 H ATOM 58 HB3 ALA A 4 -2.443 17.036 8.032 1.00 0.00 H ATOM 59 H ALA A 4 0.854 18.589 7.897 1.00 0.00 H ATOM 60 N GLU A 5 0.151 17.836 10.650 1.00 29.62 N ATOM 61 CA GLU A 5 0.350 17.316 11.990 1.00 25.19 C ATOM 62 C GLU A 5 -0.104 18.305 13.045 1.00 22.15 C ATOM 63 O GLU A 5 0.261 19.482 13.027 1.00 21.32 O ATOM 64 CB GLU A 5 1.824 17.002 12.211 1.00 26.48 C ATOM 65 CG GLU A 5 2.380 16.037 11.225 1.00 27.83 C ATOM 66 CD GLU A 5 1.651 14.730 11.244 1.00 28.10 C ATOM 67 OE1 GLU A 5 1.475 14.153 10.159 1.00 28.89 O ATOM 68 OE2 GLU A 5 1.256 14.280 12.342 1.00 28.86 O ATOM 69 HA GLU A 5 -0.248 16.410 12.083 1.00 0.00 H ATOM 70 HB2 GLU A 5 2.389 17.931 12.141 1.00 0.00 H ATOM 71 HB3 GLU A 5 1.941 16.581 13.210 1.00 0.00 H ATOM 72 HG2 GLU A 5 2.302 16.469 10.227 1.00 0.00 H ATOM 73 HG3 GLU A 5 3.429 15.858 11.461 1.00 0.00 H ATOM 74 H GLU A 5 0.980 18.033 10.054 1.00 0.00 H ATOM 75 N GLU A 6 -0.841 17.809 14.028 1.00 18.10 N ATOM 76 CA GLU A 6 -1.311 18.682 15.088 1.00 16.43 C ATOM 77 C GLU A 6 -0.180 19.268 15.943 1.00 16.73 C ATOM 78 O GLU A 6 -0.396 20.278 16.607 1.00 16.18 O ATOM 79 CB GLU A 6 -2.361 17.966 15.965 1.00 13.53 C ATOM 80 CG GLU A 6 -1.837 16.919 16.935 1.00 13.56 C ATOM 81 CD GLU A 6 -1.573 15.563 16.318 1.00 11.05 C ATOM 82 OE1 GLU A 6 -1.200 14.640 17.080 1.00 10.69 O ATOM 83 OE2 GLU A 6 -1.709 15.410 15.091 1.00 13.96 O ATOM 84 HA GLU A 6 -1.785 19.532 14.597 1.00 0.00 H ATOM 85 HB2 GLU A 6 -2.880 18.727 16.548 1.00 0.00 H ATOM 86 HB3 GLU A 6 -3.070 17.475 15.298 1.00 0.00 H ATOM 87 HG2 GLU A 6 -0.903 17.287 17.360 1.00 0.00 H ATOM 88 HG3 GLU A 6 -2.572 16.794 17.730 1.00 0.00 H ATOM 89 H GLU A 6 -1.082 16.797 14.040 1.00 0.00 H ATOM 90 N TRP A 7 0.991 18.627 15.969 1.00 15.84 N ATOM 91 CA TRP A 7 2.103 19.145 16.766 1.00 16.16 C ATOM 92 C TRP A 7 3.015 20.083 15.966 1.00 16.96 C ATOM 93 O TRP A 7 4.056 20.535 16.489 1.00 15.16 O ATOM 94 CB TRP A 7 2.932 18.006 17.381 1.00 14.87 C ATOM 95 CG TRP A 7 3.150 16.817 16.488 1.00 16.95 C ATOM 96 CD1 TRP A 7 2.535 15.587 16.608 1.00 18.89 C ATOM 97 CD2 TRP A 7 4.020 16.717 15.346 1.00 18.31 C ATOM 98 NE1 TRP A 7 2.958 14.752 15.615 1.00 19.35 N ATOM 99 CE2 TRP A 7 3.862 15.409 14.812 1.00 19.58 C ATOM 100 CE3 TRP A 7 4.912 17.598 14.701 1.00 18.46 C ATOM 101 CZ2 TRP A 7 4.562 14.961 13.687 1.00 19.92 C ATOM 102 CZ3 TRP A 7 5.613 17.150 13.570 1.00 19.35 C ATOM 103 CH2 TRP A 7 5.424 15.846 13.073 1.00 20.07 C ATOM 104 HA TRP A 7 1.652 19.728 17.569 1.00 0.00 H ATOM 105 HB2 TRP A 7 3.908 18.408 17.652 1.00 0.00 H ATOM 106 HB3 TRP A 7 2.419 17.663 18.280 1.00 0.00 H ATOM 107 HE1 TRP A 7 2.645 13.769 15.485 1.00 0.00 H ATOM 108 HD1 TRP A 7 1.816 15.321 17.383 1.00 0.00 H ATOM 109 HZ2 TRP A 7 4.431 13.947 13.308 1.00 0.00 H ATOM 110 HH2 TRP A 7 5.970 15.529 12.185 1.00 0.00 H ATOM 111 HZ3 TRP A 7 6.312 17.820 13.070 1.00 0.00 H ATOM 112 HE3 TRP A 7 5.055 18.612 15.075 1.00 0.00 H ATOM 113 H TRP A 7 1.113 17.753 15.419 1.00 0.00 H ATOM 114 N TYR A 8 2.672 20.335 14.706 1.00 15.04 N ATOM 115 CA TYR A 8 3.489 21.235 13.896 1.00 17.66 C ATOM 116 C TYR A 8 2.913 22.661 13.946 1.00 18.28 C ATOM 117 O TYR A 8 1.874 22.950 13.324 1.00 19.89 O ATOM 118 CB TYR A 8 3.597 20.741 12.447 1.00 17.98 C ATOM 119 CG TYR A 8 4.571 21.564 11.658 1.00 18.29 C ATOM 120 CD1 TYR A 8 5.951 21.518 11.947 1.00 21.69 C ATOM 121 CD2 TYR A 8 4.131 22.445 10.679 1.00 17.99 C ATOM 122 CE1 TYR A 8 6.865 22.350 11.268 1.00 18.95 C ATOM 123 CE2 TYR A 8 5.021 23.271 9.996 1.00 17.48 C ATOM 124 CZ TYR A 8 6.388 23.215 10.302 1.00 18.32 C ATOM 125 OH TYR A 8 7.258 24.032 9.640 1.00 20.70 O ATOM 126 HA TYR A 8 4.496 21.248 14.313 1.00 0.00 H ATOM 127 HB3 TYR A 8 2.616 20.805 11.976 1.00 0.00 H ATOM 128 HB2 TYR A 8 3.930 19.703 12.450 1.00 0.00 H ATOM 129 HD2 TYR A 8 3.068 22.491 10.440 1.00 0.00 H ATOM 130 HE2 TYR A 8 4.657 23.955 9.230 1.00 0.00 H ATOM 131 HE1 TYR A 8 7.929 22.311 11.501 1.00 0.00 H ATOM 132 HD1 TYR A 8 6.317 20.828 12.708 1.00 0.00 H ATOM 133 HH TYR A 8 7.010 24.977 9.801 1.00 0.00 H ATOM 134 H TYR A 8 1.824 19.892 14.298 1.00 0.00 H ATOM 135 N PHE A 9 3.610 23.548 14.657 1.00 16.67 N ATOM 136 CA PHE A 9 3.189 24.933 14.843 1.00 15.10 C ATOM 137 C PHE A 9 3.785 25.913 13.856 1.00 14.50 C ATOM 138 O PHE A 9 3.592 27.111 14.005 1.00 14.07 O ATOM 139 CB PHE A 9 3.487 25.402 16.266 1.00 13.69 C ATOM 140 CG PHE A 9 2.610 24.770 17.312 1.00 16.81 C ATOM 141 CD1 PHE A 9 2.099 23.489 17.141 1.00 18.14 C ATOM 142 CD2 PHE A 9 2.348 25.425 18.498 1.00 17.81 C ATOM 143 CE1 PHE A 9 1.341 22.866 18.151 1.00 18.36 C ATOM 144 CE2 PHE A 9 1.585 24.808 19.523 1.00 18.96 C ATOM 145 CZ PHE A 9 1.082 23.520 19.333 1.00 19.38 C ATOM 146 HA PHE A 9 2.115 24.926 14.657 1.00 0.00 H ATOM 147 HB2 PHE A 9 4.525 25.161 16.497 1.00 0.00 H ATOM 148 HB3 PHE A 9 3.348 26.482 16.308 1.00 0.00 H ATOM 149 HD2 PHE A 9 2.734 26.433 18.650 1.00 0.00 H ATOM 150 HE2 PHE A 9 1.392 25.338 20.456 1.00 0.00 H ATOM 151 HZ PHE A 9 0.491 23.038 20.112 1.00 0.00 H ATOM 152 HE1 PHE A 9 0.957 21.858 17.995 1.00 0.00 H ATOM 153 HD1 PHE A 9 2.288 22.957 16.209 1.00 0.00 H ATOM 154 H PHE A 9 4.498 23.237 15.101 1.00 0.00 H ATOM 155 N GLY A 10 4.529 25.402 12.895 1.00 14.56 N ATOM 156 CA GLY A 10 5.122 26.243 11.877 1.00 16.96 C ATOM 157 C GLY A 10 6.057 27.346 12.314 1.00 17.87 C ATOM 158 O GLY A 10 6.929 27.171 13.161 1.00 17.71 O ATOM 159 HA3 GLY A 10 4.305 26.711 11.328 1.00 0.00 H ATOM 160 HA2 GLY A 10 5.682 25.592 11.206 1.00 0.00 H ATOM 161 H GLY A 10 4.693 24.375 12.868 1.00 0.00 H ATOM 162 N LYS A 11 5.844 28.522 11.728 1.00 17.90 N ATOM 163 CA LYS A 11 6.671 29.678 11.988 1.00 18.42 C ATOM 164 C LYS A 11 6.271 30.460 13.204 1.00 19.42 C ATOM 165 O LYS A 11 5.460 31.379 13.070 1.00 23.18 O ATOM 166 CB LYS A 11 6.584 30.596 10.780 1.00 21.12 C ATOM 167 CG LYS A 11 7.433 31.815 10.808 1.00 21.06 C ATOM 168 CD LYS A 11 7.417 32.435 9.400 1.00 23.79 C ATOM 169 CE LYS A 11 8.442 33.550 9.275 1.00 27.70 C ATOM 170 NZ LYS A 11 8.026 34.727 10.081 1.00 31.00 N ATOM 171 HA LYS A 11 7.681 29.311 12.173 1.00 0.00 H ATOM 172 HB2 LYS A 11 6.867 30.015 9.902 1.00 0.00 H ATOM 173 HB3 LYS A 11 5.547 30.917 10.682 1.00 0.00 H ATOM 174 HG2 LYS A 11 7.035 32.527 11.531 1.00 0.00 H ATOM 175 HG3 LYS A 11 8.453 31.550 11.085 1.00 0.00 H ATOM 176 HD2 LYS A 11 7.644 31.660 8.668 1.00 0.00 H ATOM 177 HD3 LYS A 11 6.425 32.841 9.202 1.00 0.00 H ATOM 178 HE2 LYS A 11 8.529 33.843 8.229 1.00 0.00 H ATOM 179 HE3 LYS A 11 9.408 33.193 9.632 1.00 0.00 H ATOM 180 HZ1 LYS A 11 7.106 35.072 9.740 1.00 0.00 H ATOM 181 HZ2 LYS A 11 7.945 34.450 11.080 1.00 0.00 H ATOM 182 HZ3 LYS A 11 8.737 35.480 9.985 1.00 0.00 H ATOM 183 H LYS A 11 5.053 28.612 11.058 1.00 0.00 H ATOM 184 N ILE A 12 6.742 30.071 14.384 1.00 17.88 N ATOM 185 CA ILE A 12 6.462 30.831 15.599 1.00 16.15 C ATOM 186 C ILE A 12 7.852 30.970 16.217 1.00 15.51 C ATOM 187 O ILE A 12 8.736 30.160 15.945 1.00 16.24 O ATOM 188 CB ILE A 12 5.438 30.152 16.562 1.00 17.57 C ATOM 189 CG1 ILE A 12 5.936 28.794 17.076 1.00 14.27 C ATOM 190 CG2 ILE A 12 4.130 29.949 15.848 1.00 18.62 C ATOM 191 CD1 ILE A 12 5.152 28.306 18.253 1.00 14.40 C ATOM 192 HA ILE A 12 5.972 31.782 15.391 1.00 0.00 H ATOM 193 HB ILE A 12 5.313 30.814 17.419 1.00 0.00 H ATOM 194 HG12 ILE A 12 5.852 28.063 16.272 1.00 0.00 H ATOM 195 HG13 ILE A 12 6.982 28.892 17.368 1.00 0.00 H ATOM 196 HD11 ILE A 12 5.236 29.026 19.067 1.00 0.00 H ATOM 197 HD12 ILE A 12 4.105 28.196 17.970 1.00 0.00 H ATOM 198 HD13 ILE A 12 5.546 27.342 18.576 1.00 0.00 H ATOM 199 HG21 ILE A 12 3.740 30.914 15.526 1.00 0.00 H ATOM 200 HG22 ILE A 12 4.287 29.311 14.978 1.00 0.00 H ATOM 201 HG23 ILE A 12 3.418 29.475 16.524 1.00 0.00 H ATOM 202 H ILE A 12 7.321 29.209 14.443 1.00 0.00 H ATOM 203 N THR A 13 8.075 32.034 16.960 1.00 14.00 N ATOM 204 CA THR A 13 9.370 32.305 17.549 1.00 13.71 C ATOM 205 C THR A 13 9.673 31.437 18.773 1.00 13.35 C ATOM 206 O THR A 13 8.816 30.760 19.339 1.00 13.80 O ATOM 207 CB THR A 13 9.449 33.810 17.974 1.00 11.56 C ATOM 208 OG1 THR A 13 8.486 34.060 19.007 1.00 11.83 O ATOM 209 CG2 THR A 13 9.139 34.723 16.811 1.00 12.50 C ATOM 210 HA THR A 13 10.112 32.067 16.786 1.00 0.00 H ATOM 211 HB THR A 13 10.462 34.009 18.325 1.00 0.00 H ATOM 212 HG1 THR A 13 7.579 33.858 18.667 1.00 0.00 H ATOM 213 HG23 THR A 13 9.860 34.550 16.012 1.00 0.00 H ATOM 214 HG21 THR A 13 8.133 34.515 16.446 1.00 0.00 H ATOM 215 HG22 THR A 13 9.200 35.761 17.139 1.00 0.00 H ATOM 216 H THR A 13 7.296 32.702 17.129 1.00 0.00 H ATOM 217 N ARG A 14 10.909 31.522 19.229 1.00 11.37 N ATOM 218 CA ARG A 14 11.346 30.806 20.407 1.00 14.50 C ATOM 219 C ARG A 14 10.618 31.378 21.628 1.00 13.77 C ATOM 220 O ARG A 14 10.268 30.626 22.510 1.00 11.87 O ATOM 221 CB ARG A 14 12.864 30.980 20.580 1.00 16.45 C ATOM 222 CG ARG A 14 13.468 30.210 21.728 1.00 20.28 C ATOM 223 CD ARG A 14 15.016 30.277 21.651 1.00 24.17 C ATOM 224 NE ARG A 14 15.647 29.650 22.821 1.00 30.84 N ATOM 225 CZ ARG A 14 15.686 30.189 24.056 1.00 33.94 C ATOM 226 NH1 ARG A 14 15.129 31.381 24.282 1.00 33.10 N ATOM 227 NH2 ARG A 14 16.255 29.533 25.087 1.00 35.23 N ATOM 228 HA ARG A 14 11.119 29.745 20.305 1.00 0.00 H ATOM 229 HB2 ARG A 14 13.349 30.652 19.661 1.00 0.00 H ATOM 230 HB3 ARG A 14 13.067 32.039 20.739 1.00 0.00 H ATOM 231 HG2 ARG A 14 13.133 30.644 22.670 1.00 0.00 H ATOM 232 HG3 ARG A 14 13.148 29.170 21.674 1.00 0.00 H ATOM 233 HD2 ARG A 14 15.322 31.322 21.602 1.00 0.00 H ATOM 234 HD3 ARG A 14 15.348 29.760 20.751 1.00 0.00 H ATOM 235 HE ARG A 14 16.097 28.722 22.686 1.00 0.00 H ATOM 236 HH12 ARG A 14 15.159 31.797 25.235 1.00 0.00 H ATOM 237 HH11 ARG A 14 14.665 31.894 23.505 1.00 0.00 H ATOM 238 HH22 ARG A 14 16.275 29.967 26.032 1.00 0.00 H ATOM 239 HH21 ARG A 14 16.674 28.593 24.937 1.00 0.00 H ATOM 240 H ARG A 14 11.591 32.124 18.724 1.00 0.00 H ATOM 241 N ARG A 15 10.418 32.699 21.663 1.00 13.95 N ATOM 242 CA ARG A 15 9.729 33.355 22.771 1.00 13.89 C ATOM 243 C ARG A 15 8.284 32.913 22.845 1.00 13.52 C ATOM 244 O ARG A 15 7.766 32.744 23.937 1.00 15.40 O ATOM 245 CB ARG A 15 9.762 34.876 22.630 1.00 15.52 C ATOM 246 CG ARG A 15 9.013 35.601 23.748 1.00 16.93 C ATOM 247 CD ARG A 15 9.179 37.164 23.666 1.00 19.65 C ATOM 248 NE ARG A 15 8.414 37.879 24.688 1.00 19.11 N ATOM 249 CZ ARG A 15 8.828 38.077 25.943 1.00 21.16 C ATOM 250 NH1 ARG A 15 10.011 37.614 26.343 1.00 22.13 N ATOM 251 NH2 ARG A 15 8.063 38.752 26.802 1.00 21.87 N ATOM 252 HA ARG A 15 10.253 33.066 23.682 1.00 0.00 H ATOM 253 HB2 ARG A 15 10.802 35.203 22.641 1.00 0.00 H ATOM 254 HB3 ARG A 15 9.308 35.146 21.677 1.00 0.00 H ATOM 255 HG2 ARG A 15 7.953 35.357 23.675 1.00 0.00 H ATOM 256 HG3 ARG A 15 9.399 35.258 24.708 1.00 0.00 H ATOM 257 HD2 ARG A 15 8.842 37.497 22.684 1.00 0.00 H ATOM 258 HD3 ARG A 15 10.234 37.408 23.789 1.00 0.00 H ATOM 259 HE ARG A 15 7.484 38.259 24.419 1.00 0.00 H ATOM 260 HH12 ARG A 15 10.327 37.771 27.321 1.00 0.00 H ATOM 261 HH11 ARG A 15 10.618 37.095 25.677 1.00 0.00 H ATOM 262 HH22 ARG A 15 8.387 38.905 27.778 1.00 0.00 H ATOM 263 HH21 ARG A 15 7.142 39.126 26.496 1.00 0.00 H ATOM 264 H ARG A 15 10.765 33.280 20.873 1.00 0.00 H ATOM 265 N GLU A 16 7.636 32.780 21.695 1.00 13.78 N ATOM 266 CA GLU A 16 6.249 32.351 21.638 1.00 15.70 C ATOM 267 C GLU A 16 6.135 30.887 22.008 1.00 15.55 C ATOM 268 O GLU A 16 5.208 30.551 22.743 1.00 16.16 O ATOM 269 CB GLU A 16 5.668 32.620 20.250 1.00 18.13 C ATOM 270 CG GLU A 16 4.212 32.050 19.978 1.00 19.65 C ATOM 271 CD GLU A 16 3.140 32.624 20.886 1.00 21.79 C ATOM 272 OE1 GLU A 16 2.063 31.998 21.002 1.00 25.44 O ATOM 273 OE2 GLU A 16 3.346 33.689 21.473 1.00 21.63 O ATOM 274 HA GLU A 16 5.670 32.925 22.362 1.00 0.00 H ATOM 275 HB2 GLU A 16 5.635 33.700 20.106 1.00 0.00 H ATOM 276 HB3 GLU A 16 6.341 32.178 19.516 1.00 0.00 H ATOM 277 HG2 GLU A 16 3.943 32.276 18.946 1.00 0.00 H ATOM 278 HG3 GLU A 16 4.236 30.969 20.118 1.00 0.00 H ATOM 279 H GLU A 16 8.136 32.989 20.807 1.00 0.00 H ATOM 280 N SER A 17 7.059 30.037 21.541 1.00 14.34 N ATOM 281 CA SER A 17 7.013 28.630 21.890 1.00 11.56 C ATOM 282 C SER A 17 7.133 28.523 23.392 1.00 11.28 C ATOM 283 O SER A 17 6.437 27.679 23.982 1.00 11.79 O ATOM 284 CB SER A 17 8.111 27.833 21.174 1.00 11.37 C ATOM 285 OG SER A 17 9.404 28.122 21.705 1.00 13.22 O ATOM 286 HA SER A 17 6.068 28.196 21.562 1.00 0.00 H ATOM 287 HB2 SER A 17 8.099 28.088 20.114 1.00 0.00 H ATOM 288 HB3 SER A 17 7.910 26.768 21.293 1.00 0.00 H ATOM 289 HG SER A 17 9.596 29.087 21.595 1.00 0.00 H ATOM 290 H SER A 17 7.817 30.389 20.922 1.00 0.00 H ATOM 291 N GLU A 18 7.963 29.364 24.021 1.00 9.62 N ATOM 292 CA GLU A 18 8.112 29.326 25.475 1.00 11.78 C ATOM 293 C GLU A 18 6.864 29.865 26.145 1.00 13.02 C ATOM 294 O GLU A 18 6.492 29.392 27.217 1.00 13.66 O ATOM 295 CB GLU A 18 9.346 30.100 25.969 1.00 12.65 C ATOM 296 CG GLU A 18 10.596 29.439 25.517 1.00 15.59 C ATOM 297 CD GLU A 18 11.867 30.086 25.969 1.00 20.32 C ATOM 298 OE1 GLU A 18 12.929 29.564 25.602 1.00 21.87 O ATOM 299 OE2 GLU A 18 11.847 31.102 26.680 1.00 24.03 O ATOM 300 HA GLU A 18 8.257 28.281 25.748 1.00 0.00 H ATOM 301 HB2 GLU A 18 9.314 31.115 25.573 1.00 0.00 H ATOM 302 HB3 GLU A 18 9.334 30.136 27.058 1.00 0.00 H ATOM 303 HG2 GLU A 18 10.589 28.415 25.891 1.00 0.00 H ATOM 304 HG3 GLU A 18 10.594 29.427 24.427 1.00 0.00 H ATOM 305 H GLU A 18 8.510 30.054 23.468 1.00 0.00 H ATOM 306 N ARG A 19 6.214 30.837 25.511 1.00 13.49 N ATOM 307 CA ARG A 19 5.000 31.378 26.095 1.00 15.46 C ATOM 308 C ARG A 19 3.990 30.223 26.214 1.00 15.52 C ATOM 309 O ARG A 19 3.408 30.010 27.269 1.00 17.90 O ATOM 310 CB ARG A 19 4.430 32.521 25.230 1.00 14.33 C ATOM 311 CG ARG A 19 3.350 33.384 25.982 1.00 14.26 C ATOM 312 CD ARG A 19 2.647 34.386 25.008 1.00 16.20 C ATOM 313 NE ARG A 19 1.896 33.719 23.942 1.00 17.96 N ATOM 314 CZ ARG A 19 0.736 33.077 24.110 1.00 19.40 C ATOM 315 NH1 ARG A 19 0.162 33.011 25.312 1.00 20.70 N ATOM 316 NH2 ARG A 19 0.168 32.465 23.077 1.00 19.86 N ATOM 317 HA ARG A 19 5.210 31.802 27.077 1.00 0.00 H ATOM 318 HB2 ARG A 19 5.251 33.174 24.933 1.00 0.00 H ATOM 319 HB3 ARG A 19 3.971 32.088 24.341 1.00 0.00 H ATOM 320 HG2 ARG A 19 2.600 32.720 26.411 1.00 0.00 H ATOM 321 HG3 ARG A 19 3.836 33.945 26.780 1.00 0.00 H ATOM 322 HD2 ARG A 19 3.408 35.020 24.553 1.00 0.00 H ATOM 323 HD3 ARG A 19 1.958 35.004 25.584 1.00 0.00 H ATOM 324 HE ARG A 19 2.295 33.747 22.982 1.00 0.00 H ATOM 325 HH12 ARG A 19 -0.741 32.509 25.430 1.00 0.00 H ATOM 326 HH11 ARG A 19 0.617 33.462 26.131 1.00 0.00 H ATOM 327 HH22 ARG A 19 -0.735 31.964 23.202 1.00 0.00 H ATOM 328 HH21 ARG A 19 0.626 32.487 22.144 1.00 0.00 H ATOM 329 H ARG A 19 6.572 31.205 24.607 1.00 0.00 H ATOM 330 N LEU A 20 3.861 29.439 25.155 1.00 14.69 N ATOM 331 CA LEU A 20 2.915 28.322 25.116 1.00 14.19 C ATOM 332 C LEU A 20 3.241 27.159 26.032 1.00 14.43 C ATOM 333 O LEU A 20 2.370 26.579 26.696 1.00 14.78 O ATOM 334 CB LEU A 20 2.776 27.804 23.687 1.00 13.23 C ATOM 335 CG LEU A 20 2.173 28.764 22.666 1.00 12.02 C ATOM 336 CD1 LEU A 20 2.232 28.149 21.319 1.00 13.61 C ATOM 337 CD2 LEU A 20 0.727 29.078 23.016 1.00 15.55 C ATOM 338 HA LEU A 20 1.979 28.740 25.487 1.00 0.00 H ATOM 339 HB2 LEU A 20 3.771 27.531 23.336 1.00 0.00 H ATOM 340 HB3 LEU A 20 2.146 26.915 23.717 1.00 0.00 H ATOM 341 HG LEU A 20 2.745 29.692 22.677 1.00 0.00 H ATOM 342 HD21 LEU A 20 0.147 28.155 23.020 1.00 0.00 H ATOM 343 HD22 LEU A 20 0.685 29.539 24.003 1.00 0.00 H ATOM 344 HD23 LEU A 20 0.316 29.764 22.275 1.00 0.00 H ATOM 345 HD11 LEU A 20 3.271 27.945 21.059 1.00 0.00 H ATOM 346 HD12 LEU A 20 1.667 27.217 21.322 1.00 0.00 H ATOM 347 HD13 LEU A 20 1.801 28.834 20.589 1.00 0.00 H ATOM 348 H LEU A 20 4.453 29.623 24.320 1.00 0.00 H ATOM 349 N LEU A 21 4.521 26.817 26.090 1.00 14.26 N ATOM 350 CA LEU A 21 4.967 25.706 26.911 1.00 11.93 C ATOM 351 C LEU A 21 5.051 26.017 28.398 1.00 12.36 C ATOM 352 O LEU A 21 4.930 25.087 29.206 1.00 11.90 O ATOM 353 CB LEU A 21 6.297 25.169 26.363 1.00 10.58 C ATOM 354 CG LEU A 21 6.111 24.505 24.999 1.00 12.72 C ATOM 355 CD1 LEU A 21 7.422 24.518 24.186 1.00 14.72 C ATOM 356 CD2 LEU A 21 5.567 23.073 25.166 1.00 11.74 C ATOM 357 HA LEU A 21 4.201 24.933 26.843 1.00 0.00 H ATOM 358 HB2 LEU A 21 6.999 25.997 26.262 1.00 0.00 H ATOM 359 HB3 LEU A 21 6.699 24.436 27.063 1.00 0.00 H ATOM 360 HG LEU A 21 5.377 25.082 24.437 1.00 0.00 H ATOM 361 HD21 LEU A 21 6.271 22.484 25.754 1.00 0.00 H ATOM 362 HD22 LEU A 21 4.605 23.108 25.678 1.00 0.00 H ATOM 363 HD23 LEU A 21 5.441 22.617 24.184 1.00 0.00 H ATOM 364 HD11 LEU A 21 7.741 25.549 24.030 1.00 0.00 H ATOM 365 HD12 LEU A 21 8.193 23.976 24.734 1.00 0.00 H ATOM 366 HD13 LEU A 21 7.255 24.038 23.222 1.00 0.00 H ATOM 367 H LEU A 21 5.218 27.355 25.537 1.00 0.00 H ATOM 368 N LEU A 22 5.219 27.282 28.781 1.00 13.51 N ATOM 369 CA LEU A 22 5.300 27.614 30.203 1.00 15.26 C ATOM 370 C LEU A 22 3.948 27.829 30.835 1.00 17.42 C ATOM 371 O LEU A 22 3.637 28.888 31.373 1.00 21.85 O ATOM 372 CB LEU A 22 6.156 28.843 30.445 1.00 15.35 C ATOM 373 CG LEU A 22 7.650 28.700 30.216 1.00 16.28 C ATOM 374 CD1 LEU A 22 8.274 30.084 30.229 1.00 15.13 C ATOM 375 CD2 LEU A 22 8.235 27.837 31.309 1.00 14.85 C ATOM 376 HA LEU A 22 5.763 26.747 30.673 1.00 0.00 H ATOM 377 HB2 LEU A 22 5.796 29.630 29.783 1.00 0.00 H ATOM 378 HB3 LEU A 22 6.010 29.147 31.482 1.00 0.00 H ATOM 379 HG LEU A 22 7.852 28.227 29.255 1.00 0.00 H ATOM 380 HD21 LEU A 22 8.054 28.306 32.276 1.00 0.00 H ATOM 381 HD22 LEU A 22 7.763 26.855 31.286 1.00 0.00 H ATOM 382 HD23 LEU A 22 9.308 27.730 31.151 1.00 0.00 H ATOM 383 HD11 LEU A 22 7.832 30.688 29.437 1.00 0.00 H ATOM 384 HD12 LEU A 22 8.088 30.556 31.194 1.00 0.00 H ATOM 385 HD13 LEU A 22 9.348 29.998 30.066 1.00 0.00 H ATOM 386 H LEU A 22 5.293 28.035 28.067 1.00 0.00 H ATOM 387 N ASN A 23 3.134 26.796 30.785 1.00 18.65 N ATOM 388 CA ASN A 23 1.801 26.836 31.355 1.00 16.25 C ATOM 389 C ASN A 23 1.880 25.805 32.476 1.00 16.86 C ATOM 390 O ASN A 23 2.405 24.707 32.231 1.00 15.22 O ATOM 391 CB ASN A 23 0.827 26.435 30.259 1.00 19.62 C ATOM 392 CG ASN A 23 -0.582 26.352 30.745 1.00 20.35 C ATOM 393 OD1 ASN A 23 -0.837 25.820 31.817 1.00 20.49 O ATOM 394 ND2 ASN A 23 -1.511 26.894 29.969 1.00 22.24 N ATOM 395 HA ASN A 23 1.471 27.803 31.734 1.00 0.00 H ATOM 396 HB2 ASN A 23 0.878 27.174 29.459 1.00 0.00 H ATOM 397 HB3 ASN A 23 1.121 25.460 29.870 1.00 0.00 H ATOM 398 HD22 ASN A 23 -1.242 27.334 29.066 1.00 0.00 H ATOM 399 HD21 ASN A 23 -2.508 26.879 30.263 1.00 0.00 H ATOM 400 H ASN A 23 3.457 25.923 30.322 1.00 0.00 H ATOM 401 N ALA A 24 1.496 26.177 33.692 1.00 14.01 N ATOM 402 CA ALA A 24 1.570 25.276 34.832 1.00 16.62 C ATOM 403 C ALA A 24 0.843 23.952 34.648 1.00 18.53 C ATOM 404 O ALA A 24 1.143 23.024 35.387 1.00 19.78 O ATOM 405 CB ALA A 24 1.043 25.952 36.065 1.00 19.57 C ATOM 406 HA ALA A 24 2.629 25.036 34.932 1.00 0.00 H ATOM 407 HB1 ALA A 24 1.639 26.841 36.273 1.00 0.00 H ATOM 408 HB2 ALA A 24 0.004 26.239 35.904 1.00 0.00 H ATOM 409 HB3 ALA A 24 1.105 25.265 36.909 1.00 0.00 H ATOM 410 H ALA A 24 1.132 27.141 33.833 1.00 0.00 H ATOM 411 N GLU A 25 -0.114 23.877 33.728 1.00 17.05 N ATOM 412 CA GLU A 25 -0.859 22.650 33.490 1.00 17.86 C ATOM 413 C GLU A 25 -0.138 21.681 32.565 1.00 15.51 C ATOM 414 O GLU A 25 -0.563 20.537 32.420 1.00 15.72 O ATOM 415 CB GLU A 25 -2.223 22.985 32.898 1.00 20.88 C ATOM 416 CG GLU A 25 -3.157 23.691 33.914 1.00 28.38 C ATOM 417 CD GLU A 25 -4.481 24.158 33.298 1.00 31.94 C ATOM 418 OE1 GLU A 25 -5.174 24.982 33.945 1.00 34.13 O ATOM 419 OE2 GLU A 25 -4.811 23.722 32.163 1.00 35.09 O ATOM 420 HA GLU A 25 -0.965 22.156 34.456 1.00 0.00 H ATOM 421 HB2 GLU A 25 -2.080 23.642 32.040 1.00 0.00 H ATOM 422 HB3 GLU A 25 -2.698 22.060 32.570 1.00 0.00 H ATOM 423 HG2 GLU A 25 -3.378 22.995 34.723 1.00 0.00 H ATOM 424 HG3 GLU A 25 -2.637 24.560 34.317 1.00 0.00 H ATOM 425 H GLU A 25 -0.337 24.720 33.162 1.00 0.00 H ATOM 426 N ASN A 26 0.914 22.134 31.901 1.00 12.81 N ATOM 427 CA ASN A 26 1.633 21.256 30.989 1.00 11.89 C ATOM 428 C ASN A 26 2.543 20.287 31.740 1.00 11.77 C ATOM 429 O ASN A 26 3.362 20.722 32.568 1.00 12.05 O ATOM 430 CB ASN A 26 2.538 22.051 30.038 1.00 10.55 C ATOM 431 CG ASN A 26 1.778 22.825 29.015 1.00 14.48 C ATOM 432 OD1 ASN A 26 0.656 22.465 28.658 1.00 14.75 O ATOM 433 ND2 ASN A 26 2.411 23.860 28.458 1.00 11.16 N ATOM 434 HA ASN A 26 0.865 20.716 30.435 1.00 0.00 H ATOM 435 HB2 ASN A 26 3.134 22.747 30.628 1.00 0.00 H ATOM 436 HB3 ASN A 26 3.199 21.353 29.524 1.00 0.00 H ATOM 437 HD22 ASN A 26 3.359 24.130 28.791 1.00 0.00 H ATOM 438 HD21 ASN A 26 1.956 24.396 27.692 1.00 0.00 H ATOM 439 H ASN A 26 1.227 23.117 32.031 1.00 0.00 H ATOM 440 N PRO A 27 2.355 18.974 31.551 1.00 12.45 N ATOM 441 CA PRO A 27 3.254 18.055 32.257 1.00 12.32 C ATOM 442 C PRO A 27 4.580 17.950 31.464 1.00 12.44 C ATOM 443 O PRO A 27 4.656 18.449 30.303 1.00 10.54 O ATOM 444 CB PRO A 27 2.481 16.720 32.260 1.00 13.55 C ATOM 445 CG PRO A 27 1.561 16.817 31.069 1.00 15.27 C ATOM 446 CD PRO A 27 1.123 18.275 31.075 1.00 13.22 C ATOM 447 HA PRO A 27 3.517 18.368 33.268 1.00 0.00 H ATOM 448 HD3 PRO A 27 0.841 18.607 30.076 1.00 0.00 H ATOM 449 HD2 PRO A 27 0.289 18.434 31.758 1.00 0.00 H ATOM 450 HG3 PRO A 27 0.705 16.152 31.183 1.00 0.00 H ATOM 451 HG2 PRO A 27 2.089 16.572 30.147 1.00 0.00 H ATOM 452 HB2 PRO A 27 3.165 15.878 32.152 1.00 0.00 H ATOM 453 HB3 PRO A 27 1.909 16.607 33.181 1.00 0.00 H ATOM 454 N ARG A 28 5.600 17.312 32.067 1.00 12.72 N ATOM 455 CA ARG A 28 6.890 17.102 31.395 1.00 12.17 C ATOM 456 C ARG A 28 6.706 16.455 30.038 1.00 11.08 C ATOM 457 O ARG A 28 5.837 15.575 29.828 1.00 11.39 O ATOM 458 CB ARG A 28 7.808 16.219 32.243 1.00 12.95 C ATOM 459 CG ARG A 28 8.263 16.830 33.571 1.00 16.26 C ATOM 460 CD ARG A 28 9.222 15.854 34.316 1.00 20.82 C ATOM 461 NE ARG A 28 8.555 15.257 35.473 1.00 31.74 N ATOM 462 CZ ARG A 28 8.943 14.149 36.127 1.00 33.54 C ATOM 463 NH1 ARG A 28 10.021 13.461 35.743 1.00 36.03 N ATOM 464 NH2 ARG A 28 8.273 13.748 37.208 1.00 32.24 N ATOM 465 HA ARG A 28 7.345 18.084 31.263 1.00 0.00 H ATOM 466 HB2 ARG A 28 7.276 15.294 32.463 1.00 0.00 H ATOM 467 HB3 ARG A 28 8.697 15.994 31.654 1.00 0.00 H ATOM 468 HG2 ARG A 28 8.784 17.767 33.376 1.00 0.00 H ATOM 469 HG3 ARG A 28 7.391 17.024 34.195 1.00 0.00 H ATOM 470 HD2 ARG A 28 10.101 16.403 34.653 1.00 0.00 H ATOM 471 HD3 ARG A 28 9.530 15.063 33.632 1.00 0.00 H ATOM 472 HE ARG A 28 7.700 15.735 35.822 1.00 0.00 H ATOM 473 HH12 ARG A 28 10.305 12.606 36.263 1.00 0.00 H ATOM 474 HH11 ARG A 28 10.577 13.780 34.924 1.00 0.00 H ATOM 475 HH22 ARG A 28 8.571 12.891 37.716 1.00 0.00 H ATOM 476 HH21 ARG A 28 7.453 14.292 37.543 1.00 0.00 H ATOM 477 H ARG A 28 5.472 16.957 33.036 1.00 0.00 H ATOM 478 N GLY A 29 7.472 16.940 29.069 1.00 7.53 N ATOM 479 CA GLY A 29 7.376 16.392 27.723 1.00 9.02 C ATOM 480 C GLY A 29 6.326 17.012 26.804 1.00 6.84 C ATOM 481 O GLY A 29 6.199 16.584 25.668 1.00 7.08 O ATOM 482 HA3 GLY A 29 7.150 15.330 27.814 1.00 0.00 H ATOM 483 HA2 GLY A 29 8.348 16.516 27.245 1.00 0.00 H ATOM 484 H GLY A 29 8.140 17.711 29.271 1.00 0.00 H ATOM 485 N THR A 30 5.555 17.987 27.285 1.00 7.77 N ATOM 486 CA THR A 30 4.590 18.651 26.426 1.00 8.56 C ATOM 487 C THR A 30 5.445 19.238 25.310 1.00 7.97 C ATOM 488 O THR A 30 6.499 19.770 25.615 1.00 9.07 O ATOM 489 CB THR A 30 3.840 19.743 27.174 1.00 8.39 C ATOM 490 OG1 THR A 30 3.100 19.148 28.243 1.00 8.30 O ATOM 491 CG2 THR A 30 2.890 20.437 26.244 1.00 8.54 C ATOM 492 HA THR A 30 3.821 17.972 26.058 1.00 0.00 H ATOM 493 HB THR A 30 4.552 20.469 27.568 1.00 0.00 H ATOM 494 HG1 THR A 30 3.724 18.688 28.859 1.00 0.00 H ATOM 495 HG23 THR A 30 3.450 20.892 25.427 1.00 0.00 H ATOM 496 HG21 THR A 30 2.183 19.712 25.841 1.00 0.00 H ATOM 497 HG22 THR A 30 2.349 21.210 26.790 1.00 0.00 H ATOM 498 H THR A 30 5.645 18.274 28.281 1.00 0.00 H ATOM 499 N PHE A 31 5.017 19.180 24.056 1.00 8.27 N ATOM 500 CA PHE A 31 5.890 19.652 22.985 1.00 8.24 C ATOM 501 C PHE A 31 5.192 20.228 21.772 1.00 9.44 C ATOM 502 O PHE A 31 3.982 20.103 21.581 1.00 11.10 O ATOM 503 CB PHE A 31 6.756 18.465 22.501 1.00 8.44 C ATOM 504 CG PHE A 31 5.975 17.445 21.687 1.00 8.07 C ATOM 505 CD1 PHE A 31 6.065 17.442 20.302 1.00 8.22 C ATOM 506 CD2 PHE A 31 5.107 16.534 22.316 1.00 8.09 C ATOM 507 CE1 PHE A 31 5.300 16.574 19.541 1.00 9.31 C ATOM 508 CE2 PHE A 31 4.327 15.652 21.581 1.00 7.48 C ATOM 509 CZ PHE A 31 4.419 15.659 20.187 1.00 8.21 C ATOM 510 HA PHE A 31 6.464 20.468 23.423 1.00 0.00 H ATOM 511 HB2 PHE A 31 7.565 18.855 21.883 1.00 0.00 H ATOM 512 HB3 PHE A 31 7.176 17.964 23.373 1.00 0.00 H ATOM 513 HD2 PHE A 31 5.046 16.520 23.404 1.00 0.00 H ATOM 514 HE2 PHE A 31 3.651 14.962 22.086 1.00 0.00 H ATOM 515 HZ PHE A 31 3.819 14.967 19.596 1.00 0.00 H ATOM 516 HE1 PHE A 31 5.371 16.591 18.453 1.00 0.00 H ATOM 517 HD1 PHE A 31 6.747 18.133 19.806 1.00 0.00 H ATOM 518 H PHE A 31 4.072 18.803 23.838 1.00 0.00 H ATOM 519 N LEU A 32 6.016 20.785 20.892 1.00 8.44 N ATOM 520 CA LEU A 32 5.592 21.355 19.642 1.00 8.30 C ATOM 521 C LEU A 32 6.818 21.402 18.720 1.00 10.42 C ATOM 522 O LEU A 32 7.942 21.416 19.224 1.00 10.79 O ATOM 523 CB LEU A 32 5.005 22.773 19.880 1.00 8.60 C ATOM 524 CG LEU A 32 5.861 23.908 20.464 1.00 8.02 C ATOM 525 CD1 LEU A 32 6.676 24.527 19.337 1.00 6.61 C ATOM 526 CD2 LEU A 32 4.993 24.961 21.150 1.00 8.28 C ATOM 527 HA LEU A 32 4.808 20.755 19.180 1.00 0.00 H ATOM 528 HB2 LEU A 32 4.647 23.124 18.912 1.00 0.00 H ATOM 529 HB3 LEU A 32 4.159 22.647 20.555 1.00 0.00 H ATOM 530 HG LEU A 32 6.529 23.503 21.224 1.00 0.00 H ATOM 531 HD21 LEU A 32 4.299 25.387 20.425 1.00 0.00 H ATOM 532 HD22 LEU A 32 4.433 24.496 21.961 1.00 0.00 H ATOM 533 HD23 LEU A 32 5.630 25.749 21.552 1.00 0.00 H ATOM 534 HD11 LEU A 32 7.318 23.766 18.894 1.00 0.00 H ATOM 535 HD12 LEU A 32 6.002 24.922 18.577 1.00 0.00 H ATOM 536 HD13 LEU A 32 7.290 25.335 19.735 1.00 0.00 H ATOM 537 H LEU A 32 7.030 20.810 21.121 1.00 0.00 H ATOM 538 N VAL A 33 6.611 21.331 17.407 1.00 10.03 N ATOM 539 CA VAL A 33 7.706 21.412 16.442 1.00 10.41 C ATOM 540 C VAL A 33 7.424 22.685 15.656 1.00 11.84 C ATOM 541 O VAL A 33 6.282 22.975 15.276 1.00 10.36 O ATOM 542 CB VAL A 33 7.767 20.174 15.468 1.00 10.04 C ATOM 543 CG1 VAL A 33 8.882 20.368 14.409 1.00 9.69 C ATOM 544 CG2 VAL A 33 8.039 18.854 16.260 1.00 10.06 C ATOM 545 HA VAL A 33 8.669 21.417 16.952 1.00 0.00 H ATOM 546 HB VAL A 33 6.801 20.099 14.969 1.00 0.00 H ATOM 547 HG11 VAL A 33 8.676 21.266 13.827 1.00 0.00 H ATOM 548 HG12 VAL A 33 9.844 20.471 14.911 1.00 0.00 H ATOM 549 HG13 VAL A 33 8.907 19.502 13.747 1.00 0.00 H ATOM 550 HG21 VAL A 33 8.991 18.936 16.784 1.00 0.00 H ATOM 551 HG22 VAL A 33 7.238 18.693 16.982 1.00 0.00 H ATOM 552 HG23 VAL A 33 8.076 18.016 15.564 1.00 0.00 H ATOM 553 H VAL A 33 5.639 21.214 17.056 1.00 0.00 H ATOM 554 N ARG A 34 8.460 23.492 15.471 1.00 11.25 N ATOM 555 CA ARG A 34 8.332 24.758 14.752 1.00 12.38 C ATOM 556 C ARG A 34 9.488 24.921 13.792 1.00 13.22 C ATOM 557 O ARG A 34 10.393 24.097 13.807 1.00 11.40 O ATOM 558 CB ARG A 34 8.355 25.905 15.751 1.00 9.36 C ATOM 559 CG ARG A 34 9.514 25.839 16.650 1.00 10.24 C ATOM 560 CD ARG A 34 9.448 26.945 17.667 1.00 10.23 C ATOM 561 NE ARG A 34 10.558 26.892 18.600 1.00 12.38 N ATOM 562 CZ ARG A 34 11.652 27.646 18.505 1.00 12.51 C ATOM 563 NH1 ARG A 34 12.616 27.505 19.403 1.00 12.35 N ATOM 564 NH2 ARG A 34 11.761 28.558 17.538 1.00 13.15 N ATOM 565 HA ARG A 34 7.394 24.763 14.197 1.00 0.00 H ATOM 566 HB2 ARG A 34 8.389 26.847 15.203 1.00 0.00 H ATOM 567 HB3 ARG A 34 7.445 25.867 16.349 1.00 0.00 H ATOM 568 HG2 ARG A 34 9.517 24.877 17.163 1.00 0.00 H ATOM 569 HG3 ARG A 34 10.429 25.941 16.066 1.00 0.00 H ATOM 570 HD2 ARG A 34 8.515 26.856 18.224 1.00 0.00 H ATOM 571 HD3 ARG A 34 9.470 27.903 17.148 1.00 0.00 H ATOM 572 HE ARG A 34 10.495 26.223 19.394 1.00 0.00 H ATOM 573 HH12 ARG A 34 13.475 28.088 19.340 1.00 0.00 H ATOM 574 HH11 ARG A 34 12.514 26.811 20.171 1.00 0.00 H ATOM 575 HH22 ARG A 34 12.618 29.143 17.469 1.00 0.00 H ATOM 576 HH21 ARG A 34 10.989 28.684 16.852 1.00 0.00 H ATOM 577 H ARG A 34 9.389 23.216 15.848 1.00 0.00 H ATOM 578 N GLU A 35 9.453 25.937 12.937 1.00 13.75 N ATOM 579 CA GLU A 35 10.574 26.152 12.030 1.00 16.91 C ATOM 580 C GLU A 35 11.771 26.611 12.876 1.00 16.59 C ATOM 581 O GLU A 35 11.668 27.207 13.948 1.00 15.72 O ATOM 582 CB GLU A 35 10.309 27.283 11.025 1.00 17.81 C ATOM 583 CG GLU A 35 9.297 27.026 9.967 1.00 18.51 C ATOM 584 CD GLU A 35 9.202 28.198 9.007 1.00 20.36 C ATOM 585 OE1 GLU A 35 8.352 28.145 8.098 1.00 22.97 O ATOM 586 OE2 GLU A 35 9.964 29.180 9.160 1.00 20.00 O ATOM 587 HA GLU A 35 10.744 25.222 11.487 1.00 0.00 H ATOM 588 HB2 GLU A 35 9.979 28.154 11.591 1.00 0.00 H ATOM 589 HB3 GLU A 35 11.253 27.509 10.529 1.00 0.00 H ATOM 590 HG2 GLU A 35 9.581 26.132 9.411 1.00 0.00 H ATOM 591 HG3 GLU A 35 8.325 26.868 10.434 1.00 0.00 H ATOM 592 H GLU A 35 8.632 26.575 12.915 1.00 0.00 H ATOM 593 N SER A 36 12.942 26.306 12.338 1.00 22.31 N ATOM 594 CA SER A 36 14.224 26.709 12.897 1.00 25.93 C ATOM 595 C SER A 36 14.343 28.224 12.605 1.00 28.43 C ATOM 596 O SER A 36 14.253 28.625 11.449 1.00 27.99 O ATOM 597 CB SER A 36 15.317 25.946 12.145 1.00 27.81 C ATOM 598 OG SER A 36 16.565 26.622 12.159 1.00 31.27 O ATOM 599 HA SER A 36 14.314 26.505 13.964 1.00 0.00 H ATOM 600 HB2 SER A 36 15.002 25.815 11.110 1.00 0.00 H ATOM 601 HB3 SER A 36 15.444 24.969 12.611 1.00 0.00 H ATOM 602 HG SER A 36 16.865 26.739 13.095 1.00 0.00 H ATOM 603 H SER A 36 12.946 25.744 11.463 1.00 0.00 H ATOM 604 N GLU A 37 14.457 29.062 13.626 1.00 31.40 N ATOM 605 CA GLU A 37 14.571 30.502 13.418 1.00 34.67 C ATOM 606 C GLU A 37 15.737 30.911 12.501 1.00 37.81 C ATOM 607 O GLU A 37 15.696 31.994 11.881 1.00 38.14 O ATOM 608 CB GLU A 37 14.754 31.222 14.745 1.00 35.02 C ATOM 609 CG GLU A 37 13.534 31.445 15.604 1.00 37.82 C ATOM 610 CD GLU A 37 13.857 32.393 16.744 1.00 39.61 C ATOM 611 OE1 GLU A 37 15.060 32.559 17.016 1.00 43.34 O ATOM 612 OE2 GLU A 37 12.955 33.004 17.362 1.00 41.36 O ATOM 613 HA GLU A 37 13.640 30.790 12.930 1.00 0.00 H ATOM 614 HB2 GLU A 37 15.464 30.641 15.334 1.00 0.00 H ATOM 615 HB3 GLU A 37 15.180 32.201 14.527 1.00 0.00 H ATOM 616 HG2 GLU A 37 12.738 31.873 14.994 1.00 0.00 H ATOM 617 HG3 GLU A 37 13.203 30.490 16.013 1.00 0.00 H ATOM 618 H GLU A 37 14.465 28.685 14.595 1.00 0.00 H ATOM 619 N THR A 38 16.789 30.103 12.406 1.00 40.25 N ATOM 620 CA THR A 38 17.893 30.523 11.561 1.00 42.76 C ATOM 621 C THR A 38 18.468 29.497 10.614 1.00 44.46 C ATOM 622 O THR A 38 19.187 29.820 9.662 1.00 45.83 O ATOM 623 CB THR A 38 18.997 31.201 12.382 1.00 42.57 C ATOM 624 OG1 THR A 38 19.385 30.345 13.435 1.00 41.30 O ATOM 625 CG2 THR A 38 18.497 32.552 12.968 1.00 42.22 C ATOM 626 HA THR A 38 17.427 31.244 10.890 1.00 0.00 H ATOM 627 HB THR A 38 19.847 31.401 11.730 1.00 0.00 H ATOM 628 HG1 THR A 38 18.604 30.162 14.015 1.00 0.00 H ATOM 629 HG23 THR A 38 18.198 33.211 12.153 1.00 0.00 H ATOM 630 HG21 THR A 38 17.644 32.370 13.621 1.00 0.00 H ATOM 631 HG22 THR A 38 19.300 33.018 13.539 1.00 0.00 H ATOM 632 H THR A 38 16.820 29.200 12.920 1.00 0.00 H ATOM 633 N THR A 39 18.127 28.242 10.812 1.00 45.39 N ATOM 634 CA THR A 39 18.646 27.278 9.874 1.00 45.32 C ATOM 635 C THR A 39 17.570 26.894 8.884 1.00 44.99 C ATOM 636 O THR A 39 16.565 26.281 9.222 1.00 45.42 O ATOM 637 CB THR A 39 19.235 26.070 10.594 1.00 46.26 C ATOM 638 OG1 THR A 39 20.102 26.525 11.641 1.00 46.57 O ATOM 639 CG2 THR A 39 20.017 25.219 9.608 1.00 46.18 C ATOM 640 HA THR A 39 19.465 27.729 9.315 1.00 0.00 H ATOM 641 HB THR A 39 18.433 25.469 11.022 1.00 0.00 H ATOM 642 HG1 THR A 39 20.487 25.744 12.112 1.00 0.00 H ATOM 643 HG23 THR A 39 19.350 24.878 8.816 1.00 0.00 H ATOM 644 HG21 THR A 39 20.822 25.813 9.176 1.00 0.00 H ATOM 645 HG22 THR A 39 20.438 24.358 10.127 1.00 0.00 H ATOM 646 H THR A 39 17.515 27.960 11.604 1.00 0.00 H ATOM 647 N LYS A 40 17.745 27.332 7.644 1.00 44.34 N ATOM 648 CA LYS A 40 16.784 27.045 6.576 1.00 44.46 C ATOM 649 C LYS A 40 16.604 25.531 6.422 1.00 42.46 C ATOM 650 O LYS A 40 17.548 24.742 6.600 1.00 44.05 O ATOM 651 CB LYS A 40 17.211 27.698 5.247 1.00 47.03 C ATOM 652 CG LYS A 40 18.750 27.988 5.130 1.00 50.75 C ATOM 653 CD LYS A 40 19.354 27.397 3.836 1.00 54.14 C ATOM 654 CE LYS A 40 19.304 25.841 3.828 1.00 56.37 C ATOM 655 NZ LYS A 40 19.016 25.269 2.468 1.00 58.07 N ATOM 656 HA LYS A 40 15.823 27.479 6.852 1.00 0.00 H ATOM 657 HB2 LYS A 40 16.927 27.031 4.433 1.00 0.00 H ATOM 658 HB3 LYS A 40 16.677 28.643 5.144 1.00 0.00 H ATOM 659 HG2 LYS A 40 18.906 29.067 5.131 1.00 0.00 H ATOM 660 HG3 LYS A 40 19.258 27.548 5.988 1.00 0.00 H ATOM 661 HD2 LYS A 40 18.791 27.772 2.981 1.00 0.00 H ATOM 662 HD3 LYS A 40 20.393 27.717 3.754 1.00 0.00 H ATOM 663 HE2 LYS A 40 18.523 25.515 4.515 1.00 0.00 H ATOM 664 HE3 LYS A 40 20.267 25.461 4.168 1.00 0.00 H ATOM 665 HZ1 LYS A 40 18.094 25.617 2.135 1.00 0.00 H ATOM 666 HZ2 LYS A 40 19.760 25.565 1.804 1.00 0.00 H ATOM 667 HZ3 LYS A 40 18.995 24.231 2.527 1.00 0.00 H ATOM 668 H LYS A 40 18.590 27.896 7.423 1.00 0.00 H ATOM 669 N GLY A 41 15.365 25.123 6.154 1.00 39.10 N ATOM 670 CA GLY A 41 15.066 23.708 6.014 1.00 35.40 C ATOM 671 C GLY A 41 15.091 22.910 7.316 1.00 32.73 C ATOM 672 O GLY A 41 14.603 21.780 7.306 1.00 32.76 O ATOM 673 HA3 GLY A 41 15.800 23.273 5.336 1.00 0.00 H ATOM 674 HA2 GLY A 41 14.071 23.614 5.579 1.00 0.00 H ATOM 675 H GLY A 41 14.604 25.824 6.044 1.00 0.00 H ATOM 676 N ALA A 42 15.661 23.466 8.401 1.00 29.13 N ATOM 677 CA ALA A 42 15.728 22.786 9.713 1.00 25.61 C ATOM 678 C ALA A 42 14.523 23.106 10.603 1.00 23.26 C ATOM 679 O ALA A 42 13.826 24.088 10.370 1.00 25.56 O ATOM 680 CB ALA A 42 17.004 23.139 10.438 1.00 23.35 C ATOM 681 HA ALA A 42 15.712 21.716 9.506 1.00 0.00 H ATOM 682 HB1 ALA A 42 17.859 22.829 9.838 1.00 0.00 H ATOM 683 HB2 ALA A 42 17.043 24.216 10.599 1.00 0.00 H ATOM 684 HB3 ALA A 42 17.028 22.626 11.399 1.00 0.00 H ATOM 685 H ALA A 42 16.073 24.417 8.313 1.00 0.00 H ATOM 686 N TYR A 43 14.294 22.292 11.627 1.00 19.86 N ATOM 687 CA TYR A 43 13.169 22.499 12.523 1.00 17.11 C ATOM 688 C TYR A 43 13.646 22.606 13.948 1.00 16.66 C ATOM 689 O TYR A 43 14.837 22.465 14.241 1.00 17.16 O ATOM 690 CB TYR A 43 12.161 21.349 12.412 1.00 18.04 C ATOM 691 CG TYR A 43 11.588 21.182 11.032 1.00 20.98 C ATOM 692 CD1 TYR A 43 12.196 20.347 10.101 1.00 21.81 C ATOM 693 CD2 TYR A 43 10.458 21.887 10.647 1.00 23.21 C ATOM 694 CE1 TYR A 43 11.698 20.220 8.807 1.00 25.16 C ATOM 695 CE2 TYR A 43 9.952 21.778 9.363 1.00 26.04 C ATOM 696 CZ TYR A 43 10.580 20.942 8.437 1.00 26.24 C ATOM 697 OH TYR A 43 10.106 20.882 7.140 1.00 27.21 O ATOM 698 HA TYR A 43 12.679 23.428 12.232 1.00 0.00 H ATOM 699 HB3 TYR A 43 11.342 21.540 13.105 1.00 0.00 H ATOM 700 HB2 TYR A 43 12.663 20.423 12.692 1.00 0.00 H ATOM 701 HD2 TYR A 43 9.960 22.537 11.366 1.00 0.00 H ATOM 702 HE2 TYR A 43 9.066 22.343 9.075 1.00 0.00 H ATOM 703 HE1 TYR A 43 12.186 19.557 8.093 1.00 0.00 H ATOM 704 HD1 TYR A 43 13.081 19.780 10.390 1.00 0.00 H ATOM 705 HH TYR A 43 10.658 20.248 6.617 1.00 0.00 H ATOM 706 H TYR A 43 14.934 21.489 11.791 1.00 0.00 H ATOM 707 N CYS A 44 12.714 22.910 14.837 1.00 13.40 N ATOM 708 CA CYS A 44 13.017 23.006 16.227 1.00 13.43 C ATOM 709 C CYS A 44 11.969 22.251 17.018 1.00 13.40 C ATOM 710 O CYS A 44 10.785 22.359 16.720 1.00 13.66 O ATOM 711 CB CYS A 44 13.075 24.466 16.657 1.00 13.58 C ATOM 712 SG CYS A 44 13.628 24.528 18.280 1.00 24.17 S ATOM 713 HA CYS A 44 13.994 22.563 16.419 1.00 0.00 H ATOM 714 HB2 CYS A 44 12.082 24.911 16.588 1.00 0.00 H ATOM 715 HB3 CYS A 44 13.762 25.014 16.012 1.00 0.00 H ATOM 716 HG CYS A 44 13.689 25.843 18.693 1.00 0.00 H ATOM 717 H CYS A 44 11.740 23.082 14.515 1.00 0.00 H ATOM 718 N LEU A 45 12.418 21.392 17.927 1.00 11.19 N ATOM 719 CA LEU A 45 11.542 20.628 18.806 1.00 11.60 C ATOM 720 C LEU A 45 11.615 21.292 20.172 1.00 10.06 C ATOM 721 O LEU A 45 12.629 21.211 20.876 1.00 9.03 O ATOM 722 CB LEU A 45 11.998 19.163 18.916 1.00 10.55 C ATOM 723 CG LEU A 45 11.360 18.321 20.035 1.00 10.67 C ATOM 724 CD1 LEU A 45 9.824 18.151 19.820 1.00 9.20 C ATOM 725 CD2 LEU A 45 12.070 16.961 20.110 1.00 11.41 C ATOM 726 HA LEU A 45 10.526 20.619 18.412 1.00 0.00 H ATOM 727 HB2 LEU A 45 11.774 18.675 17.967 1.00 0.00 H ATOM 728 HB3 LEU A 45 13.076 19.164 19.077 1.00 0.00 H ATOM 729 HG LEU A 45 11.485 18.841 20.985 1.00 0.00 H ATOM 730 HD21 LEU A 45 11.964 16.444 19.156 1.00 0.00 H ATOM 731 HD22 LEU A 45 13.127 17.116 20.325 1.00 0.00 H ATOM 732 HD23 LEU A 45 11.621 16.361 20.902 1.00 0.00 H ATOM 733 HD11 LEU A 45 9.349 19.132 19.813 1.00 0.00 H ATOM 734 HD12 LEU A 45 9.645 17.652 18.868 1.00 0.00 H ATOM 735 HD13 LEU A 45 9.409 17.551 20.630 1.00 0.00 H ATOM 736 H LEU A 45 13.446 21.258 18.016 1.00 0.00 H ATOM 737 N SER A 46 10.539 21.979 20.544 1.00 8.22 N ATOM 738 CA SER A 46 10.500 22.670 21.822 1.00 8.31 C ATOM 739 C SER A 46 9.671 21.796 22.767 1.00 8.34 C ATOM 740 O SER A 46 8.538 21.391 22.502 1.00 8.60 O ATOM 741 CB SER A 46 9.936 24.090 21.633 1.00 7.22 C ATOM 742 OG SER A 46 10.650 24.766 20.600 1.00 6.55 O ATOM 743 HA SER A 46 11.491 22.809 22.255 1.00 0.00 H ATOM 744 HB2 SER A 46 10.037 24.646 22.565 1.00 0.00 H ATOM 745 HB3 SER A 46 8.882 24.027 21.362 1.00 0.00 H ATOM 746 HG SER A 46 11.607 24.826 20.846 1.00 0.00 H ATOM 747 H SER A 46 9.714 22.022 19.912 1.00 0.00 H ATOM 748 N VAL A 47 10.261 21.544 23.921 1.00 7.84 N ATOM 749 CA VAL A 47 9.714 20.626 24.916 1.00 10.55 C ATOM 750 C VAL A 47 9.699 21.197 26.312 1.00 9.66 C ATOM 751 O VAL A 47 10.712 21.771 26.742 1.00 11.71 O ATOM 752 CB VAL A 47 10.631 19.356 24.987 1.00 9.18 C ATOM 753 CG1 VAL A 47 9.967 18.246 25.806 1.00 13.18 C ATOM 754 CG2 VAL A 47 11.029 18.900 23.591 1.00 9.20 C ATOM 755 HA VAL A 47 8.691 20.413 24.604 1.00 0.00 H ATOM 756 HB VAL A 47 11.552 19.617 25.508 1.00 0.00 H ATOM 757 HG11 VAL A 47 9.784 18.604 26.819 1.00 0.00 H ATOM 758 HG12 VAL A 47 9.021 17.970 25.341 1.00 0.00 H ATOM 759 HG13 VAL A 47 10.625 17.377 25.839 1.00 0.00 H ATOM 760 HG21 VAL A 47 10.133 18.656 23.020 1.00 0.00 H ATOM 761 HG22 VAL A 47 11.574 19.700 23.090 1.00 0.00 H ATOM 762 HG23 VAL A 47 11.665 18.018 23.666 1.00 0.00 H ATOM 763 H VAL A 47 11.160 22.023 24.132 1.00 0.00 H ATOM 764 N SER A 48 8.618 20.965 27.046 1.00 9.16 N ATOM 765 CA SER A 48 8.552 21.463 28.398 1.00 10.43 C ATOM 766 C SER A 48 9.174 20.424 29.366 1.00 11.74 C ATOM 767 O SER A 48 9.197 19.208 29.077 1.00 7.78 O ATOM 768 CB SER A 48 7.096 21.815 28.803 1.00 9.97 C ATOM 769 OG SER A 48 6.362 20.653 29.116 1.00 9.60 O ATOM 770 HA SER A 48 9.127 22.387 28.459 1.00 0.00 H ATOM 771 HB2 SER A 48 6.610 22.331 27.975 1.00 0.00 H ATOM 772 HB3 SER A 48 7.117 22.469 29.675 1.00 0.00 H ATOM 773 HG SER A 48 6.797 20.183 29.871 1.00 0.00 H ATOM 774 H SER A 48 7.822 20.427 26.648 1.00 0.00 H ATOM 775 N ASP A 49 9.695 20.935 30.483 1.00 11.95 N ATOM 776 CA ASP A 49 10.308 20.115 31.521 1.00 13.38 C ATOM 777 C ASP A 49 9.913 20.672 32.884 1.00 13.18 C ATOM 778 O ASP A 49 9.254 21.717 32.998 1.00 13.99 O ATOM 779 CB ASP A 49 11.841 20.127 31.369 1.00 14.40 C ATOM 780 CG ASP A 49 12.535 19.049 32.204 1.00 15.15 C ATOM 781 OD1 ASP A 49 11.938 18.031 32.616 1.00 14.70 O ATOM 782 OD2 ASP A 49 13.742 19.199 32.366 1.00 21.38 O ATOM 783 HA ASP A 49 9.961 19.086 31.429 1.00 0.00 H ATOM 784 HB2 ASP A 49 12.087 19.965 30.320 1.00 0.00 H ATOM 785 HB3 ASP A 49 12.213 21.102 31.682 1.00 0.00 H ATOM 786 H ASP A 49 9.662 21.965 30.619 1.00 0.00 H ATOM 787 N PHE A 50 10.234 19.903 33.913 1.00 13.02 N ATOM 788 CA PHE A 50 9.973 20.297 35.286 1.00 13.89 C ATOM 789 C PHE A 50 10.864 19.518 36.233 1.00 14.49 C ATOM 790 O PHE A 50 10.953 18.294 36.168 1.00 14.92 O ATOM 791 CB PHE A 50 8.507 20.032 35.693 1.00 14.26 C ATOM 792 CG PHE A 50 8.149 20.578 37.036 1.00 12.42 C ATOM 793 CD1 PHE A 50 8.406 19.839 38.190 1.00 13.51 C ATOM 794 CD2 PHE A 50 7.619 21.868 37.153 1.00 12.74 C ATOM 795 CE1 PHE A 50 8.154 20.382 39.459 1.00 13.30 C ATOM 796 CE2 PHE A 50 7.365 22.406 38.383 1.00 10.91 C ATOM 797 CZ PHE A 50 7.638 21.665 39.553 1.00 12.21 C ATOM 798 HA PHE A 50 10.176 21.366 35.350 1.00 0.00 H ATOM 799 HB2 PHE A 50 7.855 20.491 34.950 1.00 0.00 H ATOM 800 HB3 PHE A 50 8.342 18.955 35.704 1.00 0.00 H ATOM 801 HD2 PHE A 50 7.407 22.449 36.255 1.00 0.00 H ATOM 802 HE2 PHE A 50 6.950 23.411 38.461 1.00 0.00 H ATOM 803 HZ PHE A 50 7.443 22.102 40.532 1.00 0.00 H ATOM 804 HE1 PHE A 50 8.361 19.803 40.359 1.00 0.00 H ATOM 805 HD1 PHE A 50 8.807 18.829 38.105 1.00 0.00 H ATOM 806 H PHE A 50 10.689 18.985 33.732 1.00 0.00 H ATOM 807 N ASP A 51 11.614 20.245 37.044 1.00 16.66 N ATOM 808 CA ASP A 51 12.419 19.620 38.078 1.00 18.31 C ATOM 809 C ASP A 51 12.497 20.584 39.252 1.00 19.90 C ATOM 810 O ASP A 51 12.096 21.749 39.120 1.00 19.44 O ATOM 811 CB ASP A 51 13.769 19.030 37.591 1.00 20.37 C ATOM 812 CG ASP A 51 14.798 20.068 37.153 1.00 21.38 C ATOM 813 OD1 ASP A 51 15.701 19.674 36.392 1.00 18.04 O ATOM 814 OD2 ASP A 51 14.754 21.228 37.591 1.00 24.06 O ATOM 815 HA ASP A 51 11.929 18.707 38.417 1.00 0.00 H ATOM 816 HB2 ASP A 51 14.199 18.448 38.406 1.00 0.00 H ATOM 817 HB3 ASP A 51 13.567 18.373 36.745 1.00 0.00 H ATOM 818 H ASP A 51 11.627 21.280 36.940 1.00 0.00 H ATOM 819 N ASN A 52 12.875 20.092 40.425 1.00 22.37 N ATOM 820 CA ASN A 52 12.909 20.968 41.588 1.00 25.26 C ATOM 821 C ASN A 52 13.860 22.139 41.488 1.00 25.08 C ATOM 822 O ASN A 52 13.546 23.197 42.007 1.00 26.43 O ATOM 823 CB ASN A 52 13.167 20.163 42.852 1.00 28.49 C ATOM 824 CG ASN A 52 11.980 19.311 43.237 1.00 30.37 C ATOM 825 OD1 ASN A 52 10.813 19.659 42.950 1.00 32.24 O ATOM 826 ND2 ASN A 52 12.255 18.205 43.908 1.00 30.35 N ATOM 827 HA ASN A 52 11.919 21.423 41.631 1.00 0.00 H ATOM 828 HB2 ASN A 52 14.027 19.514 42.686 1.00 0.00 H ATOM 829 HB3 ASN A 52 13.385 20.851 43.669 1.00 0.00 H ATOM 830 HD22 ASN A 52 13.242 17.959 44.122 1.00 0.00 H ATOM 831 HD21 ASN A 52 11.484 17.581 44.221 1.00 0.00 H ATOM 832 H ASN A 52 13.144 19.091 40.513 1.00 0.00 H ATOM 833 N ALA A 53 14.976 21.962 40.795 1.00 23.57 N ATOM 834 CA ALA A 53 15.961 23.026 40.635 1.00 22.96 C ATOM 835 C ALA A 53 15.449 24.175 39.747 1.00 23.31 C ATOM 836 O ALA A 53 15.418 25.350 40.164 1.00 22.63 O ATOM 837 CB ALA A 53 17.255 22.455 40.050 1.00 21.02 C ATOM 838 HA ALA A 53 16.150 23.441 41.625 1.00 0.00 H ATOM 839 HB1 ALA A 53 17.652 21.695 40.723 1.00 0.00 H ATOM 840 HB2 ALA A 53 17.047 22.008 39.078 1.00 0.00 H ATOM 841 HB3 ALA A 53 17.985 23.257 39.934 1.00 0.00 H ATOM 842 H ALA A 53 15.155 21.038 40.353 1.00 0.00 H ATOM 843 N LYS A 54 15.037 23.832 38.530 1.00 21.23 N ATOM 844 CA LYS A 54 14.562 24.832 37.588 1.00 21.09 C ATOM 845 C LYS A 54 13.056 25.058 37.586 1.00 20.93 C ATOM 846 O LYS A 54 12.613 26.026 36.967 1.00 21.73 O ATOM 847 CB LYS A 54 14.969 24.426 36.173 1.00 20.67 C ATOM 848 CG LYS A 54 16.421 24.210 35.988 1.00 21.34 C ATOM 849 CD LYS A 54 16.669 23.840 34.604 1.00 24.50 C ATOM 850 CE LYS A 54 18.110 24.122 34.193 1.00 29.46 C ATOM 851 NZ LYS A 54 18.334 23.771 32.738 1.00 30.65 N ATOM 852 HA LYS A 54 15.021 25.766 37.912 1.00 0.00 H ATOM 853 HB2 LYS A 54 14.453 23.499 35.923 1.00 0.00 H ATOM 854 HB3 LYS A 54 14.652 25.213 35.489 1.00 0.00 H ATOM 855 HG2 LYS A 54 16.961 25.127 36.224 1.00 0.00 H ATOM 856 HG3 LYS A 54 16.759 23.411 36.647 1.00 0.00 H ATOM 857 HD2 LYS A 54 16.469 22.776 34.481 1.00 0.00 H ATOM 858 HD3 LYS A 54 16.000 24.411 33.960 1.00 0.00 H ATOM 859 HE2 LYS A 54 18.781 23.526 34.812 1.00 0.00 H ATOM 860 HE3 LYS A 54 18.324 25.180 34.342 1.00 0.00 H ATOM 861 HZ1 LYS A 54 18.135 22.761 32.592 1.00 0.00 H ATOM 862 HZ2 LYS A 54 17.698 24.340 32.143 1.00 0.00 H ATOM 863 HZ3 LYS A 54 19.322 23.972 32.482 1.00 0.00 H ATOM 864 H LYS A 54 15.055 22.831 38.247 1.00 0.00 H ATOM 865 N GLY A 55 12.279 24.176 38.209 1.00 20.82 N ATOM 866 CA GLY A 55 10.834 24.332 38.140 1.00 17.35 C ATOM 867 C GLY A 55 10.440 24.110 36.679 1.00 14.15 C ATOM 868 O GLY A 55 11.115 23.381 35.949 1.00 12.95 O ATOM 869 HA3 GLY A 55 10.548 25.334 38.459 1.00 0.00 H ATOM 870 HA2 GLY A 55 10.345 23.596 38.778 1.00 0.00 H ATOM 871 H GLY A 55 12.699 23.385 38.738 1.00 0.00 H ATOM 872 N LEU A 56 9.375 24.765 36.235 1.00 13.86 N ATOM 873 CA LEU A 56 8.895 24.625 34.857 1.00 15.10 C ATOM 874 C LEU A 56 9.833 25.370 33.908 1.00 15.34 C ATOM 875 O LEU A 56 10.116 26.541 34.149 1.00 15.24 O ATOM 876 CB LEU A 56 7.443 25.148 34.715 1.00 16.55 C ATOM 877 CG LEU A 56 6.679 25.138 33.371 1.00 16.81 C ATOM 878 CD1 LEU A 56 6.361 23.734 32.859 1.00 15.63 C ATOM 879 CD2 LEU A 56 5.387 25.929 33.545 1.00 18.55 C ATOM 880 HA LEU A 56 8.890 23.567 34.596 1.00 0.00 H ATOM 881 HB2 LEU A 56 6.841 24.561 35.409 1.00 0.00 H ATOM 882 HB3 LEU A 56 7.463 26.187 35.043 1.00 0.00 H ATOM 883 HG LEU A 56 7.327 25.593 32.622 1.00 0.00 H ATOM 884 HD21 LEU A 56 4.780 25.465 34.323 1.00 0.00 H ATOM 885 HD22 LEU A 56 5.625 26.953 33.831 1.00 0.00 H ATOM 886 HD23 LEU A 56 4.835 25.932 32.605 1.00 0.00 H ATOM 887 HD11 LEU A 56 7.290 23.184 32.710 1.00 0.00 H ATOM 888 HD12 LEU A 56 5.742 23.214 33.590 1.00 0.00 H ATOM 889 HD13 LEU A 56 5.825 23.806 31.913 1.00 0.00 H ATOM 890 H LEU A 56 8.865 25.397 36.885 1.00 0.00 H ATOM 891 N ASN A 57 10.322 24.689 32.872 1.00 13.42 N ATOM 892 CA ASN A 57 11.266 25.288 31.937 1.00 15.15 C ATOM 893 C ASN A 57 11.106 24.623 30.571 1.00 14.79 C ATOM 894 O ASN A 57 10.417 23.594 30.459 1.00 14.37 O ATOM 895 CB ASN A 57 12.721 25.115 32.456 1.00 15.91 C ATOM 896 CG ASN A 57 13.143 23.644 32.572 1.00 14.11 C ATOM 897 OD1 ASN A 57 13.870 23.123 31.731 1.00 17.43 O ATOM 898 ND2 ASN A 57 12.720 22.993 33.640 1.00 13.35 N ATOM 899 HA ASN A 57 11.061 26.355 31.846 1.00 0.00 H ATOM 900 HB2 ASN A 57 13.399 25.618 31.766 1.00 0.00 H ATOM 901 HB3 ASN A 57 12.797 25.577 33.440 1.00 0.00 H ATOM 902 HD22 ASN A 57 12.105 23.470 34.330 1.00 0.00 H ATOM 903 HD21 ASN A 57 13.002 22.003 33.791 1.00 0.00 H ATOM 904 H ASN A 57 10.022 23.704 32.727 1.00 0.00 H ATOM 905 N VAL A 58 11.741 25.209 29.550 1.00 11.76 N ATOM 906 CA VAL A 58 11.657 24.711 28.175 1.00 11.50 C ATOM 907 C VAL A 58 13.044 24.463 27.578 1.00 10.65 C ATOM 908 O VAL A 58 13.969 25.259 27.801 1.00 8.78 O ATOM 909 CB VAL A 58 10.961 25.755 27.258 1.00 8.81 C ATOM 910 CG1 VAL A 58 10.756 25.222 25.806 1.00 9.85 C ATOM 911 CG2 VAL A 58 9.674 26.175 27.873 1.00 10.90 C ATOM 912 HA VAL A 58 11.092 23.780 28.220 1.00 0.00 H ATOM 913 HB VAL A 58 11.614 26.624 27.171 1.00 0.00 H ATOM 914 HG11 VAL A 58 11.725 24.980 25.369 1.00 0.00 H ATOM 915 HG12 VAL A 58 10.134 24.327 25.833 1.00 0.00 H ATOM 916 HG13 VAL A 58 10.266 25.988 25.205 1.00 0.00 H ATOM 917 HG21 VAL A 58 9.028 25.305 27.990 1.00 0.00 H ATOM 918 HG22 VAL A 58 9.867 26.620 28.849 1.00 0.00 H ATOM 919 HG23 VAL A 58 9.187 26.907 27.229 1.00 0.00 H ATOM 920 H VAL A 58 12.318 26.053 29.740 1.00 0.00 H ATOM 921 N LYS A 59 13.152 23.399 26.787 1.00 10.23 N ATOM 922 CA LYS A 59 14.387 23.040 26.075 1.00 10.78 C ATOM 923 C LYS A 59 14.060 23.010 24.582 1.00 11.80 C ATOM 924 O LYS A 59 12.938 22.681 24.189 1.00 12.95 O ATOM 925 CB LYS A 59 14.916 21.707 26.567 1.00 12.63 C ATOM 926 CG LYS A 59 15.491 21.731 27.968 1.00 14.83 C ATOM 927 CD LYS A 59 16.863 22.489 27.978 1.00 21.43 C ATOM 928 CE LYS A 59 17.539 22.374 29.426 1.00 24.59 C ATOM 929 NZ LYS A 59 19.028 22.634 29.501 1.00 25.74 N ATOM 930 HA LYS A 59 15.174 23.771 26.262 1.00 0.00 H ATOM 931 HB2 LYS A 59 14.096 20.989 26.549 1.00 0.00 H ATOM 932 HB3 LYS A 59 15.700 21.380 25.884 1.00 0.00 H ATOM 933 HG2 LYS A 59 14.794 22.239 28.635 1.00 0.00 H ATOM 934 HG3 LYS A 59 15.642 20.708 28.313 1.00 0.00 H ATOM 935 HD2 LYS A 59 17.526 22.048 27.233 1.00 0.00 H ATOM 936 HD3 LYS A 59 16.698 23.539 27.738 1.00 0.00 H ATOM 937 HE2 LYS A 59 17.360 21.364 29.796 1.00 0.00 H ATOM 938 HE3 LYS A 59 17.044 23.092 30.080 1.00 0.00 H ATOM 939 HZ1 LYS A 59 19.529 21.950 28.899 1.00 0.00 H ATOM 940 HZ2 LYS A 59 19.227 23.600 29.171 1.00 0.00 H ATOM 941 HZ3 LYS A 59 19.348 22.530 30.485 1.00 0.00 H ATOM 942 H LYS A 59 12.319 22.789 26.666 1.00 0.00 H ATOM 943 N HIS A 60 15.008 23.408 23.737 1.00 10.70 N ATOM 944 CA HIS A 60 14.780 23.444 22.316 1.00 9.32 C ATOM 945 C HIS A 60 15.826 22.605 21.636 1.00 10.55 C ATOM 946 O HIS A 60 16.986 22.785 21.921 1.00 11.25 O ATOM 947 CB HIS A 60 14.881 24.883 21.784 1.00 10.39 C ATOM 948 CG HIS A 60 13.995 25.840 22.528 1.00 12.25 C ATOM 949 ND1 HIS A 60 12.717 26.136 22.128 1.00 11.34 N ATOM 950 CD2 HIS A 60 14.219 26.576 23.646 1.00 11.34 C ATOM 951 CE1 HIS A 60 12.201 27.033 22.949 1.00 11.92 C ATOM 952 NE2 HIS A 60 13.091 27.316 23.881 1.00 10.89 N ATOM 953 HA HIS A 60 13.781 23.061 22.111 1.00 0.00 H ATOM 954 HB2 HIS A 60 15.914 25.218 21.879 1.00 0.00 H ATOM 955 HB3 HIS A 60 14.594 24.887 20.733 1.00 0.00 H ATOM 956 HD2 HIS A 60 15.129 26.578 24.246 1.00 0.00 H ATOM 957 HE1 HIS A 60 11.205 27.468 22.870 1.00 0.00 H ATOM 958 H HIS A 60 15.934 23.699 24.111 1.00 0.00 H ATOM 959 N TYR A 61 15.399 21.687 20.792 1.00 10.20 N ATOM 960 CA TYR A 61 16.277 20.773 20.076 1.00 12.26 C ATOM 961 C TYR A 61 16.172 21.003 18.589 1.00 12.32 C ATOM 962 O TYR A 61 15.109 20.919 17.970 1.00 11.47 O ATOM 963 CB TYR A 61 15.922 19.307 20.398 1.00 12.34 C ATOM 964 CG TYR A 61 15.953 19.023 21.873 1.00 12.91 C ATOM 965 CD1 TYR A 61 14.779 19.115 22.634 1.00 11.57 C ATOM 966 CD2 TYR A 61 17.160 18.751 22.544 1.00 10.84 C ATOM 967 CE1 TYR A 61 14.795 18.957 23.993 1.00 9.37 C ATOM 968 CE2 TYR A 61 17.175 18.585 23.914 1.00 10.90 C ATOM 969 CZ TYR A 61 15.970 18.695 24.625 1.00 9.40 C ATOM 970 OH TYR A 61 15.927 18.556 25.972 1.00 8.46 O ATOM 971 HA TYR A 61 17.300 20.966 20.399 1.00 0.00 H ATOM 972 HB3 TYR A 61 16.640 18.655 19.900 1.00 0.00 H ATOM 973 HB2 TYR A 61 14.921 19.098 20.022 1.00 0.00 H ATOM 974 HD2 TYR A 61 18.088 18.671 21.978 1.00 0.00 H ATOM 975 HE2 TYR A 61 18.108 18.372 24.436 1.00 0.00 H ATOM 976 HE1 TYR A 61 13.871 19.041 24.566 1.00 0.00 H ATOM 977 HD1 TYR A 61 13.833 19.317 22.132 1.00 0.00 H ATOM 978 HH TYR A 61 16.255 17.655 26.220 1.00 0.00 H ATOM 979 H TYR A 61 14.375 21.611 20.628 1.00 0.00 H ATOM 980 N LYS A 62 17.327 21.250 17.982 1.00 11.92 N ATOM 981 CA LYS A 62 17.386 21.492 16.571 1.00 13.05 C ATOM 982 C LYS A 62 17.261 20.185 15.808 1.00 13.99 C ATOM 983 O LYS A 62 17.948 19.218 16.156 1.00 13.77 O ATOM 984 CB LYS A 62 18.706 22.202 16.204 1.00 14.42 C ATOM 985 CG LYS A 62 18.743 22.563 14.787 1.00 21.29 C ATOM 986 CD LYS A 62 19.889 23.467 14.397 1.00 27.37 C ATOM 987 CE LYS A 62 19.776 24.816 15.053 1.00 32.54 C ATOM 988 NZ LYS A 62 20.322 26.009 14.232 1.00 37.16 N ATOM 989 HA LYS A 62 16.554 22.139 16.293 1.00 0.00 H ATOM 990 HB2 LYS A 62 18.800 23.108 16.803 1.00 0.00 H ATOM 991 HB3 LYS A 62 19.540 21.535 16.422 1.00 0.00 H ATOM 992 HG2 LYS A 62 18.820 21.645 14.204 1.00 0.00 H ATOM 993 HG3 LYS A 62 17.810 23.071 14.541 1.00 0.00 H ATOM 994 HD2 LYS A 62 20.827 23.002 14.702 1.00 0.00 H ATOM 995 HD3 LYS A 62 19.885 23.598 13.315 1.00 0.00 H ATOM 996 HE2 LYS A 62 20.324 24.778 15.994 1.00 0.00 H ATOM 997 HE3 LYS A 62 18.721 25.003 15.255 1.00 0.00 H ATOM 998 HZ1 LYS A 62 21.333 25.862 14.039 1.00 0.00 H ATOM 999 HZ2 LYS A 62 19.803 26.076 13.333 1.00 0.00 H ATOM 1000 HZ3 LYS A 62 20.196 26.888 14.774 1.00 0.00 H ATOM 1001 H LYS A 62 18.204 21.268 18.541 1.00 0.00 H ATOM 1002 N ILE A 63 16.344 20.119 14.844 1.00 11.81 N ATOM 1003 CA ILE A 63 16.173 18.913 14.054 1.00 12.85 C ATOM 1004 C ILE A 63 16.690 19.209 12.657 1.00 16.46 C ATOM 1005 O ILE A 63 16.216 20.118 11.969 1.00 16.45 O ATOM 1006 CB ILE A 63 14.689 18.482 13.910 1.00 13.10 C ATOM 1007 CG1 ILE A 63 14.098 18.044 15.271 1.00 13.05 C ATOM 1008 CG2 ILE A 63 14.580 17.410 12.811 1.00 11.15 C ATOM 1009 CD1 ILE A 63 12.520 17.864 15.268 1.00 12.21 C ATOM 1010 HA ILE A 63 16.709 18.109 14.558 1.00 0.00 H ATOM 1011 HB ILE A 63 14.080 19.331 13.598 1.00 0.00 H ATOM 1012 HG12 ILE A 63 14.550 17.092 15.550 1.00 0.00 H ATOM 1013 HG13 ILE A 63 14.355 18.799 16.014 1.00 0.00 H ATOM 1014 HD11 ILE A 63 12.048 18.810 15.003 1.00 0.00 H ATOM 1015 HD12 ILE A 63 12.244 17.102 14.539 1.00 0.00 H ATOM 1016 HD13 ILE A 63 12.189 17.556 16.260 1.00 0.00 H ATOM 1017 HG21 ILE A 63 14.936 17.822 11.867 1.00 0.00 H ATOM 1018 HG22 ILE A 63 15.188 16.548 13.085 1.00 0.00 H ATOM 1019 HG23 ILE A 63 13.539 17.104 12.706 1.00 0.00 H ATOM 1020 H ILE A 63 15.741 20.945 14.654 1.00 0.00 H ATOM 1021 N ARG A 64 17.679 18.452 12.223 1.00 18.43 N ATOM 1022 CA ARG A 64 18.186 18.656 10.896 1.00 22.97 C ATOM 1023 C ARG A 64 17.618 17.661 9.902 1.00 22.65 C ATOM 1024 O ARG A 64 17.140 16.584 10.249 1.00 18.39 O ATOM 1025 CB ARG A 64 19.712 18.688 10.904 1.00 25.31 C ATOM 1026 CG ARG A 64 20.205 20.128 10.926 1.00 31.81 C ATOM 1027 CD ARG A 64 21.475 20.239 11.544 1.00 35.77 C ATOM 1028 NE ARG A 64 21.294 20.286 12.979 1.00 39.56 N ATOM 1029 CZ ARG A 64 22.250 20.667 13.811 1.00 40.05 C ATOM 1030 NH1 ARG A 64 23.434 21.010 13.320 1.00 41.79 N ATOM 1031 NH2 ARG A 64 21.998 20.795 15.101 1.00 38.52 N ATOM 1032 HA ARG A 64 17.844 19.632 10.551 1.00 0.00 H ATOM 1033 HB2 ARG A 64 20.079 18.167 11.788 1.00 0.00 H ATOM 1034 HB3 ARG A 64 20.088 18.192 10.009 1.00 0.00 H ATOM 1035 HG2 ARG A 64 20.278 20.492 9.901 1.00 0.00 H ATOM 1036 HG3 ARG A 64 19.489 20.738 11.477 1.00 0.00 H ATOM 1037 HD2 ARG A 64 21.968 21.151 11.207 1.00 0.00 H ATOM 1038 HD3 ARG A 64 22.088 19.377 11.280 1.00 0.00 H ATOM 1039 HE ARG A 64 20.373 20.008 13.374 1.00 0.00 H ATOM 1040 HH12 ARG A 64 24.195 21.312 13.961 1.00 0.00 H ATOM 1041 HH11 ARG A 64 23.601 20.977 12.294 1.00 0.00 H ATOM 1042 HH22 ARG A 64 22.753 21.095 15.751 1.00 0.00 H ATOM 1043 HH21 ARG A 64 21.045 20.596 15.467 1.00 0.00 H ATOM 1044 H ARG A 64 18.086 17.716 12.835 1.00 0.00 H ATOM 1045 N LYS A 65 17.619 18.089 8.646 1.00 27.75 N ATOM 1046 CA LYS A 65 17.108 17.288 7.543 1.00 31.95 C ATOM 1047 C LYS A 65 18.074 17.363 6.391 1.00 34.90 C ATOM 1048 O LYS A 65 18.294 18.430 5.812 1.00 36.00 O ATOM 1049 CB LYS A 65 15.733 17.801 7.103 1.00 32.80 C ATOM 1050 CG LYS A 65 15.306 17.328 5.713 1.00 35.23 C ATOM 1051 CD LYS A 65 15.158 15.810 5.661 1.00 39.10 C ATOM 1052 CE LYS A 65 14.816 15.322 4.259 1.00 41.26 C ATOM 1053 NZ LYS A 65 13.714 16.116 3.631 1.00 45.97 N ATOM 1054 HA LYS A 65 17.003 16.253 7.869 1.00 0.00 H ATOM 1055 HB2 LYS A 65 14.992 17.457 7.825 1.00 0.00 H ATOM 1056 HB3 LYS A 65 15.758 18.891 7.101 1.00 0.00 H ATOM 1057 HG2 LYS A 65 14.350 17.786 5.461 1.00 0.00 H ATOM 1058 HG3 LYS A 65 16.058 17.636 4.987 1.00 0.00 H ATOM 1059 HD2 LYS A 65 16.096 15.353 5.975 1.00 0.00 H ATOM 1060 HD3 LYS A 65 14.363 15.509 6.343 1.00 0.00 H ATOM 1061 HE2 LYS A 65 14.507 14.278 4.317 1.00 0.00 H ATOM 1062 HE3 LYS A 65 15.705 15.402 3.634 1.00 0.00 H ATOM 1063 HZ1 LYS A 65 12.857 16.040 4.216 1.00 0.00 H ATOM 1064 HZ2 LYS A 65 14.002 17.113 3.563 1.00 0.00 H ATOM 1065 HZ3 LYS A 65 13.520 15.744 2.679 1.00 0.00 H ATOM 1066 H LYS A 65 18.000 19.035 8.441 1.00 0.00 H ATOM 1067 N LEU A 66 18.653 16.217 6.068 1.00 38.06 N ATOM 1068 CA LEU A 66 19.608 16.097 4.970 1.00 42.65 C ATOM 1069 C LEU A 66 18.903 16.014 3.616 1.00 45.03 C ATOM 1070 O LEU A 66 17.695 15.804 3.538 1.00 46.20 O ATOM 1071 CB LEU A 66 20.398 14.802 5.132 1.00 42.26 C ATOM 1072 CG LEU A 66 21.045 14.505 6.471 1.00 43.26 C ATOM 1073 CD1 LEU A 66 20.649 13.109 6.908 1.00 44.28 C ATOM 1074 CD2 LEU A 66 22.556 14.648 6.353 1.00 43.75 C ATOM 1075 HA LEU A 66 20.249 16.978 5.000 1.00 0.00 H ATOM 1076 HB2 LEU A 66 19.715 13.980 4.916 1.00 0.00 H ATOM 1077 HB3 LEU A 66 21.194 14.816 4.387 1.00 0.00 H ATOM 1078 HG LEU A 66 20.703 15.214 7.225 1.00 0.00 H ATOM 1079 HD21 LEU A 66 22.929 13.946 5.607 1.00 0.00 H ATOM 1080 HD22 LEU A 66 22.801 15.666 6.050 1.00 0.00 H ATOM 1081 HD23 LEU A 66 23.016 14.434 7.317 1.00 0.00 H ATOM 1082 HD11 LEU A 66 19.564 13.053 7.001 1.00 0.00 H ATOM 1083 HD12 LEU A 66 20.989 12.387 6.165 1.00 0.00 H ATOM 1084 HD13 LEU A 66 21.110 12.887 7.870 1.00 0.00 H ATOM 1085 H LEU A 66 18.418 15.367 6.619 1.00 0.00 H ATOM 1086 N ASP A 67 19.685 16.123 2.545 1.00 47.85 N ATOM 1087 CA ASP A 67 19.174 15.979 1.179 1.00 49.11 C ATOM 1088 C ASP A 67 19.279 14.488 0.884 1.00 49.08 C ATOM 1089 O ASP A 67 18.654 13.956 -0.032 1.00 49.26 O ATOM 1090 CB ASP A 67 20.027 16.786 0.239 1.00 52.44 C ATOM 1091 CG ASP A 67 20.144 18.217 0.696 1.00 56.71 C ATOM 1092 OD1 ASP A 67 19.332 19.041 0.215 1.00 58.94 O ATOM 1093 OD2 ASP A 67 20.999 18.504 1.580 1.00 58.64 O ATOM 1094 HA ASP A 67 18.151 16.336 1.061 1.00 0.00 H ATOM 1095 HB2 ASP A 67 21.023 16.345 0.195 1.00 0.00 H ATOM 1096 HB3 ASP A 67 19.578 16.766 -0.754 1.00 0.00 H ATOM 1097 H ASP A 67 20.697 16.318 2.682 1.00 0.00 H ATOM 1098 N SER A 68 20.100 13.824 1.706 1.00 48.57 N ATOM 1099 CA SER A 68 20.298 12.375 1.681 1.00 48.40 C ATOM 1100 C SER A 68 18.916 11.820 2.058 1.00 47.57 C ATOM 1101 O SER A 68 18.585 10.663 1.747 1.00 47.75 O ATOM 1102 CB SER A 68 21.307 11.951 2.761 1.00 49.82 C ATOM 1103 OG SER A 68 22.356 12.904 2.914 1.00 52.56 O ATOM 1104 HA SER A 68 20.675 12.023 0.721 1.00 0.00 H ATOM 1105 HB2 SER A 68 21.741 10.991 2.481 1.00 0.00 H ATOM 1106 HB3 SER A 68 20.783 11.848 3.711 1.00 0.00 H ATOM 1107 HG SER A 68 21.971 13.778 3.175 1.00 0.00 H ATOM 1108 H SER A 68 20.633 14.375 2.409 1.00 0.00 H ATOM 1109 N GLY A 69 18.184 12.604 2.865 1.00 44.74 N ATOM 1110 CA GLY A 69 16.825 12.247 3.237 1.00 40.36 C ATOM 1111 C GLY A 69 16.394 12.089 4.673 1.00 36.09 C ATOM 1112 O GLY A 69 15.199 12.150 4.960 1.00 38.62 O ATOM 1113 HA3 GLY A 69 16.619 11.293 2.752 1.00 0.00 H ATOM 1114 HA2 GLY A 69 16.182 13.017 2.810 1.00 0.00 H ATOM 1115 H GLY A 69 18.598 13.485 3.232 1.00 0.00 H ATOM 1116 N GLY A 70 17.329 11.895 5.583 1.00 32.49 N ATOM 1117 CA GLY A 70 16.916 11.692 6.958 1.00 26.12 C ATOM 1118 C GLY A 70 16.776 12.912 7.821 1.00 23.12 C ATOM 1119 O GLY A 70 17.427 13.941 7.600 1.00 24.45 O ATOM 1120 HA3 GLY A 70 17.652 11.040 7.429 1.00 0.00 H ATOM 1121 HA2 GLY A 70 15.948 11.191 6.939 1.00 0.00 H ATOM 1122 H GLY A 70 18.335 11.888 5.321 1.00 0.00 H ATOM 1123 N PHE A 71 15.910 12.778 8.816 1.00 20.97 N ATOM 1124 CA PHE A 71 15.660 13.806 9.827 1.00 18.22 C ATOM 1125 C PHE A 71 16.363 13.316 11.096 1.00 16.15 C ATOM 1126 O PHE A 71 16.333 12.111 11.360 1.00 16.28 O ATOM 1127 CB PHE A 71 14.159 13.896 10.135 1.00 17.51 C ATOM 1128 CG PHE A 71 13.332 14.486 9.029 1.00 18.28 C ATOM 1129 CD1 PHE A 71 12.926 13.709 7.945 1.00 18.94 C ATOM 1130 CD2 PHE A 71 12.906 15.803 9.109 1.00 18.33 C ATOM 1131 CE1 PHE A 71 12.109 14.232 6.971 1.00 20.08 C ATOM 1132 CE2 PHE A 71 12.084 16.338 8.133 1.00 19.65 C ATOM 1133 CZ PHE A 71 11.683 15.559 7.063 1.00 20.79 C ATOM 1134 HA PHE A 71 16.011 14.779 9.485 1.00 0.00 H ATOM 1135 HB2 PHE A 71 13.791 12.890 10.336 1.00 0.00 H ATOM 1136 HB3 PHE A 71 14.030 14.513 11.024 1.00 0.00 H ATOM 1137 HD2 PHE A 71 13.222 16.423 9.948 1.00 0.00 H ATOM 1138 HE2 PHE A 71 11.752 17.374 8.207 1.00 0.00 H ATOM 1139 HZ PHE A 71 11.036 15.980 6.293 1.00 0.00 H ATOM 1140 HE1 PHE A 71 11.795 13.614 6.130 1.00 0.00 H ATOM 1141 HD1 PHE A 71 13.260 12.674 7.869 1.00 0.00 H ATOM 1142 H PHE A 71 15.376 11.888 8.882 1.00 0.00 H ATOM 1143 N TYR A 72 16.948 14.197 11.891 1.00 14.03 N ATOM 1144 CA TYR A 72 17.600 13.761 13.134 1.00 13.51 C ATOM 1145 C TYR A 72 17.944 14.936 14.046 1.00 12.08 C ATOM 1146 O TYR A 72 18.026 16.095 13.589 1.00 12.48 O ATOM 1147 CB TYR A 72 18.908 12.997 12.839 1.00 13.11 C ATOM 1148 CG TYR A 72 19.950 13.846 12.133 1.00 15.60 C ATOM 1149 CD1 TYR A 72 20.825 14.686 12.858 1.00 17.43 C ATOM 1150 CD2 TYR A 72 20.022 13.859 10.744 1.00 17.40 C ATOM 1151 CE1 TYR A 72 21.741 15.529 12.198 1.00 19.70 C ATOM 1152 CE2 TYR A 72 20.932 14.689 10.065 1.00 23.80 C ATOM 1153 CZ TYR A 72 21.782 15.526 10.797 1.00 22.31 C ATOM 1154 OH TYR A 72 22.612 16.379 10.104 1.00 25.26 O ATOM 1155 HA TYR A 72 16.883 13.110 13.635 1.00 0.00 H ATOM 1156 HB3 TYR A 72 18.674 12.139 12.208 1.00 0.00 H ATOM 1157 HB2 TYR A 72 19.326 12.648 13.783 1.00 0.00 H ATOM 1158 HD2 TYR A 72 19.359 13.212 10.169 1.00 0.00 H ATOM 1159 HE2 TYR A 72 20.975 14.680 8.976 1.00 0.00 H ATOM 1160 HE1 TYR A 72 22.408 16.174 12.769 1.00 0.00 H ATOM 1161 HD1 TYR A 72 20.791 14.682 13.947 1.00 0.00 H ATOM 1162 HH TYR A 72 23.152 16.906 10.745 1.00 0.00 H ATOM 1163 H TYR A 72 16.946 15.205 11.635 1.00 0.00 H ATOM 1164 N ILE A 73 18.087 14.630 15.331 1.00 12.28 N ATOM 1165 CA ILE A 73 18.549 15.594 16.324 1.00 12.60 C ATOM 1166 C ILE A 73 20.055 15.280 16.393 1.00 13.68 C ATOM 1167 O ILE A 73 20.884 16.193 16.292 1.00 15.03 O ATOM 1168 CB ILE A 73 17.867 15.440 17.656 1.00 11.28 C ATOM 1169 CG1 ILE A 73 16.428 15.973 17.539 1.00 9.19 C ATOM 1170 CG2 ILE A 73 18.628 16.258 18.735 1.00 11.67 C ATOM 1171 CD1 ILE A 73 15.627 15.684 18.772 1.00 10.79 C ATOM 1172 HA ILE A 73 18.327 16.627 16.057 1.00 0.00 H ATOM 1173 HB ILE A 73 17.858 14.389 17.944 1.00 0.00 H ATOM 1174 HG12 ILE A 73 16.462 17.051 17.384 1.00 0.00 H ATOM 1175 HG13 ILE A 73 15.944 15.500 16.684 1.00 0.00 H ATOM 1176 HD11 ILE A 73 15.582 14.606 18.930 1.00 0.00 H ATOM 1177 HD12 ILE A 73 16.100 16.159 19.631 1.00 0.00 H ATOM 1178 HD13 ILE A 73 14.618 16.077 18.648 1.00 0.00 H ATOM 1179 HG21 ILE A 73 19.653 15.894 18.810 1.00 0.00 H ATOM 1180 HG22 ILE A 73 18.635 17.311 18.453 1.00 0.00 H ATOM 1181 HG23 ILE A 73 18.128 16.142 19.697 1.00 0.00 H ATOM 1182 H ILE A 73 17.860 13.664 15.642 1.00 0.00 H ATOM 1183 N THR A 74 20.408 14.000 16.535 1.00 14.36 N ATOM 1184 CA THR A 74 21.821 13.605 16.477 1.00 14.48 C ATOM 1185 C THR A 74 21.995 12.759 15.227 1.00 14.53 C ATOM 1186 O THR A 74 21.225 11.844 14.992 1.00 12.39 O ATOM 1187 CB THR A 74 22.330 12.836 17.708 1.00 17.32 C ATOM 1188 OG1 THR A 74 23.695 12.438 17.461 1.00 16.99 O ATOM 1189 CG2 THR A 74 21.441 11.603 18.054 1.00 14.88 C ATOM 1190 HA THR A 74 22.419 14.516 16.457 1.00 0.00 H ATOM 1191 HB THR A 74 22.278 13.493 18.576 1.00 0.00 H ATOM 1192 HG1 THR A 74 24.039 11.941 18.245 1.00 0.00 H ATOM 1193 HG23 THR A 74 20.418 11.933 18.235 1.00 0.00 H ATOM 1194 HG21 THR A 74 21.455 10.901 17.220 1.00 0.00 H ATOM 1195 HG22 THR A 74 21.830 11.115 18.948 1.00 0.00 H ATOM 1196 H THR A 74 19.676 13.277 16.688 1.00 0.00 H ATOM 1197 N SER A 75 23.015 13.039 14.423 1.00 16.78 N ATOM 1198 CA SER A 75 23.224 12.309 13.167 1.00 19.09 C ATOM 1199 C SER A 75 23.291 10.800 13.337 1.00 20.04 C ATOM 1200 O SER A 75 23.104 10.057 12.367 1.00 18.47 O ATOM 1201 CB SER A 75 24.501 12.783 12.457 1.00 20.88 C ATOM 1202 OG SER A 75 25.636 12.551 13.279 1.00 21.44 O ATOM 1203 HA SER A 75 22.346 12.533 12.561 1.00 0.00 H ATOM 1204 HB2 SER A 75 24.421 13.849 12.246 1.00 0.00 H ATOM 1205 HB3 SER A 75 24.617 12.237 11.521 1.00 0.00 H ATOM 1206 HG SER A 75 26.451 12.861 12.810 1.00 0.00 H ATOM 1207 H SER A 75 23.680 13.792 14.690 1.00 0.00 H ATOM 1208 N ARG A 76 23.554 10.360 14.563 1.00 21.98 N ATOM 1209 CA ARG A 76 23.668 8.942 14.852 1.00 25.49 C ATOM 1210 C ARG A 76 22.331 8.219 14.779 1.00 24.29 C ATOM 1211 O ARG A 76 22.287 7.022 14.486 1.00 26.09 O ATOM 1212 CB ARG A 76 24.241 8.744 16.253 1.00 28.69 C ATOM 1213 CG ARG A 76 25.484 9.565 16.537 1.00 38.37 C ATOM 1214 CD ARG A 76 26.813 8.897 15.998 1.00 44.20 C ATOM 1215 NE ARG A 76 27.988 9.470 16.676 1.00 49.51 N ATOM 1216 CZ ARG A 76 28.888 8.763 17.366 1.00 50.47 C ATOM 1217 NH1 ARG A 76 28.753 7.439 17.465 1.00 50.34 N ATOM 1218 NH2 ARG A 76 29.893 9.385 18.000 1.00 50.10 N ATOM 1219 HA ARG A 76 24.327 8.521 14.093 1.00 0.00 H ATOM 1220 HB2 ARG A 76 23.475 9.020 16.978 1.00 0.00 H ATOM 1221 HB3 ARG A 76 24.492 7.690 16.375 1.00 0.00 H ATOM 1222 HG2 ARG A 76 25.370 10.540 16.064 1.00 0.00 H ATOM 1223 HG3 ARG A 76 25.574 9.694 17.616 1.00 0.00 H ATOM 1224 HD2 ARG A 76 26.895 9.074 14.926 1.00 0.00 H ATOM 1225 HD3 ARG A 76 26.778 7.824 16.186 1.00 0.00 H ATOM 1226 HE ARG A 76 28.127 10.499 16.613 1.00 0.00 H ATOM 1227 HH12 ARG A 76 29.450 6.884 18.001 1.00 0.00 H ATOM 1228 HH11 ARG A 76 27.950 6.962 17.006 1.00 0.00 H ATOM 1229 HH22 ARG A 76 30.591 8.831 18.536 1.00 0.00 H ATOM 1230 HH21 ARG A 76 29.974 10.421 17.956 1.00 0.00 H ATOM 1231 H ARG A 76 23.681 11.047 15.333 1.00 0.00 H ATOM 1232 N THR A 77 21.256 8.962 15.021 1.00 21.42 N ATOM 1233 CA THR A 77 19.892 8.419 15.072 1.00 18.59 C ATOM 1234 C THR A 77 18.982 9.132 14.057 1.00 16.27 C ATOM 1235 O THR A 77 18.420 10.188 14.354 1.00 15.15 O ATOM 1236 CB THR A 77 19.391 8.608 16.527 1.00 15.88 C ATOM 1237 OG1 THR A 77 20.379 8.054 17.392 1.00 17.33 O ATOM 1238 CG2 THR A 77 18.076 7.918 16.809 1.00 16.00 C ATOM 1239 HA THR A 77 19.877 7.363 14.802 1.00 0.00 H ATOM 1240 HB THR A 77 19.230 9.674 16.687 1.00 0.00 H ATOM 1241 HG1 THR A 77 20.089 8.159 18.333 1.00 0.00 H ATOM 1242 HG23 THR A 77 17.305 8.328 16.157 1.00 0.00 H ATOM 1243 HG21 THR A 77 18.181 6.849 16.623 1.00 0.00 H ATOM 1244 HG22 THR A 77 17.797 8.081 17.850 1.00 0.00 H ATOM 1245 H THR A 77 21.387 9.981 15.183 1.00 0.00 H ATOM 1246 N GLN A 78 18.844 8.554 12.872 1.00 14.42 N ATOM 1247 CA GLN A 78 18.057 9.170 11.829 1.00 15.44 C ATOM 1248 C GLN A 78 16.725 8.506 11.547 1.00 15.13 C ATOM 1249 O GLN A 78 16.528 7.340 11.869 1.00 15.36 O ATOM 1250 CB GLN A 78 18.884 9.244 10.570 1.00 15.21 C ATOM 1251 CG GLN A 78 20.157 10.040 10.783 1.00 21.57 C ATOM 1252 CD GLN A 78 20.941 10.278 9.490 1.00 23.08 C ATOM 1253 OE1 GLN A 78 22.159 10.365 9.506 1.00 25.27 O ATOM 1254 NE2 GLN A 78 20.236 10.393 8.378 1.00 22.33 N ATOM 1255 HA GLN A 78 17.796 10.164 12.193 1.00 0.00 H ATOM 1256 HB2 GLN A 78 19.147 8.233 10.259 1.00 0.00 H ATOM 1257 HB3 GLN A 78 18.295 9.722 9.787 1.00 0.00 H ATOM 1258 HG2 GLN A 78 19.894 11.007 11.212 1.00 0.00 H ATOM 1259 HG3 GLN A 78 20.794 9.496 11.480 1.00 0.00 H ATOM 1260 HE22 GLN A 78 19.200 10.312 8.409 1.00 0.00 H ATOM 1261 HE21 GLN A 78 20.718 10.564 7.472 1.00 0.00 H ATOM 1262 H GLN A 78 19.310 7.642 12.690 1.00 0.00 H ATOM 1263 N PHE A 79 15.816 9.263 10.930 1.00 16.26 N ATOM 1264 CA PHE A 79 14.468 8.811 10.610 1.00 16.30 C ATOM 1265 C PHE A 79 14.106 9.295 9.222 1.00 19.18 C ATOM 1266 O PHE A 79 14.694 10.235 8.691 1.00 17.89 O ATOM 1267 CB PHE A 79 13.478 9.369 11.643 1.00 15.07 C ATOM 1268 CG PHE A 79 13.873 9.075 13.072 1.00 15.11 C ATOM 1269 CD1 PHE A 79 14.623 9.988 13.800 1.00 11.16 C ATOM 1270 CD2 PHE A 79 13.583 7.842 13.652 1.00 14.49 C ATOM 1271 CE1 PHE A 79 15.084 9.678 15.069 1.00 14.18 C ATOM 1272 CE2 PHE A 79 14.046 7.525 14.931 1.00 15.23 C ATOM 1273 CZ PHE A 79 14.801 8.442 15.645 1.00 14.28 C ATOM 1274 HA PHE A 79 14.423 7.722 10.637 1.00 0.00 H ATOM 1275 HB2 PHE A 79 13.418 10.450 11.516 1.00 0.00 H ATOM 1276 HB3 PHE A 79 12.499 8.928 11.457 1.00 0.00 H ATOM 1277 HD2 PHE A 79 12.987 7.115 13.100 1.00 0.00 H ATOM 1278 HE2 PHE A 79 13.813 6.554 15.369 1.00 0.00 H ATOM 1279 HZ PHE A 79 15.168 8.199 16.642 1.00 0.00 H ATOM 1280 HE1 PHE A 79 15.674 10.409 15.622 1.00 0.00 H ATOM 1281 HD1 PHE A 79 14.852 10.962 13.368 1.00 0.00 H ATOM 1282 H PHE A 79 16.085 10.231 10.662 1.00 0.00 H ATOM 1283 N ASN A 80 13.157 8.614 8.597 1.00 21.75 N ATOM 1284 CA ASN A 80 12.732 9.005 7.240 1.00 25.47 C ATOM 1285 C ASN A 80 11.778 10.204 7.211 1.00 24.36 C ATOM 1286 O ASN A 80 11.547 10.842 6.197 1.00 26.35 O ATOM 1287 CB ASN A 80 12.059 7.825 6.522 1.00 28.02 C ATOM 1288 CG ASN A 80 12.992 6.649 6.350 1.00 30.65 C ATOM 1289 OD1 ASN A 80 14.199 6.822 6.132 1.00 32.53 O ATOM 1290 ND2 ASN A 80 12.451 5.442 6.491 1.00 33.98 N ATOM 1291 HA ASN A 80 13.646 9.302 6.726 1.00 0.00 H ATOM 1292 HB2 ASN A 80 11.196 7.505 7.106 1.00 0.00 H ATOM 1293 HB3 ASN A 80 11.728 8.156 5.538 1.00 0.00 H ATOM 1294 HD22 ASN A 80 11.431 5.347 6.673 1.00 0.00 H ATOM 1295 HD21 ASN A 80 13.048 4.593 6.419 1.00 0.00 H ATOM 1296 H ASN A 80 12.710 7.800 9.065 1.00 0.00 H ATOM 1297 N SER A 81 11.231 10.541 8.361 1.00 23.86 N ATOM 1298 CA SER A 81 10.291 11.629 8.397 1.00 22.86 C ATOM 1299 C SER A 81 10.255 12.225 9.793 1.00 22.53 C ATOM 1300 O SER A 81 10.594 11.572 10.786 1.00 21.37 O ATOM 1301 CB SER A 81 8.899 11.087 8.049 1.00 21.62 C ATOM 1302 OG SER A 81 8.423 10.216 9.072 1.00 19.79 O ATOM 1303 HA SER A 81 10.588 12.397 7.683 1.00 0.00 H ATOM 1304 HB2 SER A 81 8.954 10.538 7.109 1.00 0.00 H ATOM 1305 HB3 SER A 81 8.207 11.922 7.940 1.00 0.00 H ATOM 1306 HG SER A 81 9.047 9.454 9.171 1.00 0.00 H ATOM 1307 H SER A 81 11.476 10.027 9.231 1.00 0.00 H ATOM 1308 N LEU A 82 9.744 13.453 9.841 1.00 23.00 N ATOM 1309 CA LEU A 82 9.570 14.200 11.071 1.00 22.79 C ATOM 1310 C LEU A 82 8.602 13.442 12.006 1.00 22.11 C ATOM 1311 O LEU A 82 8.827 13.312 13.228 1.00 22.06 O ATOM 1312 CB LEU A 82 9.049 15.585 10.706 1.00 24.27 C ATOM 1313 CG LEU A 82 9.266 16.717 11.695 1.00 25.41 C ATOM 1314 CD1 LEU A 82 10.735 16.807 12.120 1.00 23.44 C ATOM 1315 CD2 LEU A 82 8.794 18.013 11.005 1.00 26.89 C ATOM 1316 HA LEU A 82 10.513 14.308 11.607 1.00 0.00 H ATOM 1317 HB2 LEU A 82 9.529 15.875 9.772 1.00 0.00 H ATOM 1318 HB3 LEU A 82 7.974 15.495 10.548 1.00 0.00 H ATOM 1319 HG LEU A 82 8.698 16.546 12.609 1.00 0.00 H ATOM 1320 HD21 LEU A 82 9.378 18.174 10.099 1.00 0.00 H ATOM 1321 HD22 LEU A 82 7.739 17.922 10.747 1.00 0.00 H ATOM 1322 HD23 LEU A 82 8.933 18.855 11.683 1.00 0.00 H ATOM 1323 HD11 LEU A 82 11.034 15.871 12.591 1.00 0.00 H ATOM 1324 HD12 LEU A 82 11.355 16.988 11.242 1.00 0.00 H ATOM 1325 HD13 LEU A 82 10.858 17.627 12.828 1.00 0.00 H ATOM 1326 H LEU A 82 9.454 13.901 8.948 1.00 0.00 H ATOM 1327 N GLN A 83 7.538 12.897 11.412 1.00 21.99 N ATOM 1328 CA GLN A 83 6.543 12.118 12.155 1.00 21.12 C ATOM 1329 C GLN A 83 7.220 10.933 12.830 1.00 20.05 C ATOM 1330 O GLN A 83 7.000 10.661 14.020 1.00 20.33 O ATOM 1331 CB GLN A 83 5.444 11.593 11.220 1.00 23.40 C ATOM 1332 CG GLN A 83 4.572 12.681 10.559 1.00 27.64 C ATOM 1333 CD GLN A 83 5.210 13.430 9.364 1.00 31.68 C ATOM 1334 OE1 GLN A 83 4.609 14.384 8.832 1.00 35.60 O ATOM 1335 NE2 GLN A 83 6.388 12.989 8.917 1.00 30.05 N ATOM 1336 HA GLN A 83 6.091 12.771 12.901 1.00 0.00 H ATOM 1337 HB2 GLN A 83 5.921 11.015 10.428 1.00 0.00 H ATOM 1338 HB3 GLN A 83 4.790 10.942 11.800 1.00 0.00 H ATOM 1339 HG2 GLN A 83 3.657 12.206 10.205 1.00 0.00 H ATOM 1340 HG3 GLN A 83 4.325 13.419 11.322 1.00 0.00 H ATOM 1341 HE22 GLN A 83 6.857 12.190 9.389 1.00 0.00 H ATOM 1342 HE21 GLN A 83 6.837 13.445 8.097 1.00 0.00 H ATOM 1343 H GLN A 83 7.411 13.029 10.388 1.00 0.00 H ATOM 1344 N GLN A 84 8.036 10.196 12.076 1.00 18.15 N ATOM 1345 CA GLN A 84 8.749 9.058 12.644 1.00 17.53 C ATOM 1346 C GLN A 84 9.669 9.455 13.790 1.00 13.62 C ATOM 1347 O GLN A 84 9.776 8.743 14.749 1.00 12.24 O ATOM 1348 CB GLN A 84 9.541 8.329 11.560 1.00 22.02 C ATOM 1349 CG GLN A 84 8.698 7.360 10.711 1.00 28.02 C ATOM 1350 CD GLN A 84 9.505 6.727 9.566 1.00 32.50 C ATOM 1351 OE1 GLN A 84 10.020 7.430 8.689 1.00 33.88 O ATOM 1352 NE2 GLN A 84 9.680 5.411 9.615 1.00 34.47 N ATOM 1353 HA GLN A 84 7.995 8.387 13.056 1.00 0.00 H ATOM 1354 HB2 GLN A 84 9.979 9.074 10.896 1.00 0.00 H ATOM 1355 HB3 GLN A 84 10.337 7.760 12.041 1.00 0.00 H ATOM 1356 HG2 GLN A 84 8.323 6.565 11.356 1.00 0.00 H ATOM 1357 HG3 GLN A 84 7.857 7.908 10.285 1.00 0.00 H ATOM 1358 HE22 GLN A 84 9.230 4.854 10.369 1.00 0.00 H ATOM 1359 HE21 GLN A 84 10.267 4.938 8.899 1.00 0.00 H ATOM 1360 H GLN A 84 8.165 10.435 11.072 1.00 0.00 H ATOM 1361 N LEU A 85 10.318 10.606 13.670 1.00 14.71 N ATOM 1362 CA LEU A 85 11.222 11.130 14.694 1.00 12.28 C ATOM 1363 C LEU A 85 10.426 11.411 15.949 1.00 11.81 C ATOM 1364 O LEU A 85 10.785 10.992 17.046 1.00 10.84 O ATOM 1365 CB LEU A 85 11.906 12.408 14.170 1.00 12.94 C ATOM 1366 CG LEU A 85 12.955 13.092 15.058 1.00 12.51 C ATOM 1367 CD1 LEU A 85 13.888 13.870 14.189 1.00 13.85 C ATOM 1368 CD2 LEU A 85 12.302 13.997 16.102 1.00 12.66 C ATOM 1369 HA LEU A 85 11.999 10.402 14.927 1.00 0.00 H ATOM 1370 HB2 LEU A 85 12.397 12.149 13.232 1.00 0.00 H ATOM 1371 HB3 LEU A 85 11.120 13.139 13.978 1.00 0.00 H ATOM 1372 HG LEU A 85 13.510 12.329 15.603 1.00 0.00 H ATOM 1373 HD21 LEU A 85 11.720 14.769 15.599 1.00 0.00 H ATOM 1374 HD22 LEU A 85 11.646 13.402 16.738 1.00 0.00 H ATOM 1375 HD23 LEU A 85 13.076 14.464 16.712 1.00 0.00 H ATOM 1376 HD11 LEU A 85 14.380 13.194 13.489 1.00 0.00 H ATOM 1377 HD12 LEU A 85 13.325 14.622 13.635 1.00 0.00 H ATOM 1378 HD13 LEU A 85 14.638 14.360 14.810 1.00 0.00 H ATOM 1379 H LEU A 85 10.177 11.164 12.804 1.00 0.00 H ATOM 1380 N VAL A 86 9.312 12.121 15.778 1.00 14.46 N ATOM 1381 CA VAL A 86 8.436 12.451 16.911 1.00 13.96 C ATOM 1382 C VAL A 86 7.963 11.191 17.649 1.00 12.25 C ATOM 1383 O VAL A 86 7.979 11.091 18.874 1.00 13.37 O ATOM 1384 CB VAL A 86 7.238 13.297 16.434 1.00 14.81 C ATOM 1385 CG1 VAL A 86 6.232 13.518 17.580 1.00 14.82 C ATOM 1386 CG2 VAL A 86 7.742 14.646 15.907 1.00 15.83 C ATOM 1387 HA VAL A 86 9.016 13.040 17.622 1.00 0.00 H ATOM 1388 HB VAL A 86 6.727 12.762 15.634 1.00 0.00 H ATOM 1389 HG11 VAL A 86 5.864 12.553 17.930 1.00 0.00 H ATOM 1390 HG12 VAL A 86 6.726 14.039 18.400 1.00 0.00 H ATOM 1391 HG13 VAL A 86 5.397 14.117 17.218 1.00 0.00 H ATOM 1392 HG21 VAL A 86 8.265 15.174 16.704 1.00 0.00 H ATOM 1393 HG22 VAL A 86 8.423 14.477 15.073 1.00 0.00 H ATOM 1394 HG23 VAL A 86 6.894 15.243 15.570 1.00 0.00 H ATOM 1395 H VAL A 86 9.057 12.448 14.824 1.00 0.00 H ATOM 1396 N ALA A 87 7.554 10.191 16.874 1.00 14.64 N ATOM 1397 CA ALA A 87 7.070 8.913 17.437 1.00 14.58 C ATOM 1398 C ALA A 87 8.192 8.239 18.223 1.00 13.19 C ATOM 1399 O ALA A 87 7.966 7.784 19.351 1.00 11.72 O ATOM 1400 CB ALA A 87 6.533 7.975 16.294 1.00 13.36 C ATOM 1401 HA ALA A 87 6.242 9.112 18.118 1.00 0.00 H ATOM 1402 HB1 ALA A 87 5.710 8.469 15.777 1.00 0.00 H ATOM 1403 HB2 ALA A 87 7.337 7.769 15.587 1.00 0.00 H ATOM 1404 HB3 ALA A 87 6.181 7.039 16.729 1.00 0.00 H ATOM 1405 H ALA A 87 7.575 10.312 15.841 1.00 0.00 H ATOM 1406 N TYR A 88 9.409 8.238 17.669 1.00 13.23 N ATOM 1407 CA TYR A 88 10.545 7.616 18.359 1.00 13.83 C ATOM 1408 C TYR A 88 10.847 8.306 19.693 1.00 12.22 C ATOM 1409 O TYR A 88 11.032 7.649 20.724 1.00 10.32 O ATOM 1410 CB TYR A 88 11.795 7.623 17.468 1.00 16.70 C ATOM 1411 CG TYR A 88 12.990 6.986 18.126 1.00 20.06 C ATOM 1412 CD1 TYR A 88 13.214 5.610 18.032 1.00 21.86 C ATOM 1413 CD2 TYR A 88 13.874 7.755 18.889 1.00 22.59 C ATOM 1414 CE1 TYR A 88 14.292 5.011 18.691 1.00 24.89 C ATOM 1415 CE2 TYR A 88 14.946 7.176 19.548 1.00 25.54 C ATOM 1416 CZ TYR A 88 15.147 5.814 19.449 1.00 27.56 C ATOM 1417 OH TYR A 88 16.205 5.265 20.140 1.00 34.71 O ATOM 1418 HA TYR A 88 10.266 6.584 18.570 1.00 0.00 H ATOM 1419 HB3 TYR A 88 12.042 8.656 17.224 1.00 0.00 H ATOM 1420 HB2 TYR A 88 11.571 7.078 16.551 1.00 0.00 H ATOM 1421 HD2 TYR A 88 13.717 8.831 18.967 1.00 0.00 H ATOM 1422 HE2 TYR A 88 15.625 7.790 20.139 1.00 0.00 H ATOM 1423 HE1 TYR A 88 14.462 3.937 18.615 1.00 0.00 H ATOM 1424 HD1 TYR A 88 12.539 4.995 17.437 1.00 0.00 H ATOM 1425 HH TYR A 88 17.050 5.674 19.827 1.00 0.00 H ATOM 1426 H TYR A 88 9.552 8.683 16.740 1.00 0.00 H ATOM 1427 N TYR A 89 10.870 9.635 19.690 1.00 11.84 N ATOM 1428 CA TYR A 89 11.145 10.356 20.927 1.00 10.57 C ATOM 1429 C TYR A 89 9.986 10.379 21.941 1.00 10.88 C ATOM 1430 O TYR A 89 10.174 10.775 23.083 1.00 11.93 O ATOM 1431 CB TYR A 89 11.767 11.727 20.626 1.00 10.00 C ATOM 1432 CG TYR A 89 13.208 11.584 20.132 1.00 10.09 C ATOM 1433 CD1 TYR A 89 13.546 11.872 18.813 1.00 9.49 C ATOM 1434 CD2 TYR A 89 14.217 11.086 20.984 1.00 10.57 C ATOM 1435 CE1 TYR A 89 14.826 11.666 18.327 1.00 11.83 C ATOM 1436 CE2 TYR A 89 15.538 10.885 20.507 1.00 10.80 C ATOM 1437 CZ TYR A 89 15.820 11.177 19.169 1.00 12.07 C ATOM 1438 OH TYR A 89 17.077 11.001 18.630 1.00 12.88 O ATOM 1439 HA TYR A 89 11.895 9.778 21.467 1.00 0.00 H ATOM 1440 HB3 TYR A 89 11.760 12.328 21.535 1.00 0.00 H ATOM 1441 HB2 TYR A 89 11.175 12.225 19.858 1.00 0.00 H ATOM 1442 HD2 TYR A 89 13.978 10.853 22.022 1.00 0.00 H ATOM 1443 HE2 TYR A 89 16.318 10.510 21.170 1.00 0.00 H ATOM 1444 HE1 TYR A 89 15.055 11.887 17.285 1.00 0.00 H ATOM 1445 HD1 TYR A 89 12.783 12.270 18.145 1.00 0.00 H ATOM 1446 HH TYR A 89 17.065 11.264 17.676 1.00 0.00 H ATOM 1447 H TYR A 89 10.693 10.158 18.809 1.00 0.00 H ATOM 1448 N SER A 90 8.810 9.904 21.541 1.00 11.75 N ATOM 1449 CA SER A 90 7.684 9.791 22.484 1.00 14.51 C ATOM 1450 C SER A 90 7.839 8.497 23.297 1.00 16.68 C ATOM 1451 O SER A 90 7.195 8.329 24.341 1.00 17.56 O ATOM 1452 CB SER A 90 6.358 9.760 21.759 1.00 11.11 C ATOM 1453 OG SER A 90 6.248 10.880 20.900 1.00 15.65 O ATOM 1454 HA SER A 90 7.697 10.662 23.139 1.00 0.00 H ATOM 1455 HB2 SER A 90 5.548 9.783 22.488 1.00 0.00 H ATOM 1456 HB3 SER A 90 6.290 8.845 21.170 1.00 0.00 H ATOM 1457 HG SER A 90 6.983 10.859 20.237 1.00 0.00 H ATOM 1458 H SER A 90 8.684 9.609 20.552 1.00 0.00 H ATOM 1459 N LYS A 91 8.764 7.621 22.867 1.00 18.57 N ATOM 1460 CA LYS A 91 9.051 6.342 23.552 1.00 17.77 C ATOM 1461 C LYS A 91 10.424 6.303 24.197 1.00 16.86 C ATOM 1462 O LYS A 91 10.654 5.460 25.037 1.00 17.60 O ATOM 1463 CB LYS A 91 8.997 5.172 22.558 1.00 22.32 C ATOM 1464 CG LYS A 91 7.765 5.096 21.730 1.00 27.23 C ATOM 1465 CD LYS A 91 6.484 4.683 22.550 1.00 33.02 C ATOM 1466 CE LYS A 91 6.375 3.129 22.898 1.00 33.97 C ATOM 1467 NZ LYS A 91 7.246 2.701 24.044 1.00 35.15 N ATOM 1468 HA LYS A 91 8.288 6.255 24.326 1.00 0.00 H ATOM 1469 HB2 LYS A 91 9.850 5.262 21.885 1.00 0.00 H ATOM 1470 HB3 LYS A 91 9.079 4.245 23.125 1.00 0.00 H ATOM 1471 HG2 LYS A 91 7.588 6.074 21.282 1.00 0.00 H ATOM 1472 HG3 LYS A 91 7.923 4.360 20.942 1.00 0.00 H ATOM 1473 HD2 LYS A 91 6.489 5.240 23.487 1.00 0.00 H ATOM 1474 HD3 LYS A 91 5.606 4.961 21.968 1.00 0.00 H ATOM 1475 HE2 LYS A 91 6.663 2.558 22.015 1.00 0.00 H ATOM 1476 HE3 LYS A 91 5.339 2.905 23.152 1.00 0.00 H ATOM 1477 HZ1 LYS A 91 8.241 2.897 23.814 1.00 0.00 H ATOM 1478 HZ2 LYS A 91 6.976 3.229 24.899 1.00 0.00 H ATOM 1479 HZ3 LYS A 91 7.122 1.682 24.211 1.00 0.00 H ATOM 1480 H LYS A 91 9.305 7.854 22.010 1.00 0.00 H ATOM 1481 N HIS A 92 11.352 7.147 23.753 1.00 15.54 N ATOM 1482 CA HIS A 92 12.724 7.173 24.303 1.00 14.79 C ATOM 1483 C HIS A 92 13.152 8.564 24.749 1.00 12.03 C ATOM 1484 O HIS A 92 13.064 9.465 23.928 1.00 13.92 O ATOM 1485 CB HIS A 92 13.729 6.728 23.223 1.00 16.17 C ATOM 1486 CG HIS A 92 13.368 5.435 22.571 1.00 16.04 C ATOM 1487 ND1 HIS A 92 13.852 4.230 23.024 1.00 18.11 N ATOM 1488 CD2 HIS A 92 12.514 5.156 21.563 1.00 16.54 C ATOM 1489 CE1 HIS A 92 13.302 3.257 22.319 1.00 16.15 C ATOM 1490 NE2 HIS A 92 12.490 3.789 21.430 1.00 17.62 N ATOM 1491 HA HIS A 92 12.718 6.503 25.163 1.00 0.00 H ATOM 1492 HB2 HIS A 92 13.776 7.501 22.456 1.00 0.00 H ATOM 1493 HB3 HIS A 92 14.709 6.619 23.687 1.00 0.00 H ATOM 1494 HD2 HIS A 92 11.952 5.877 20.969 1.00 0.00 H ATOM 1495 HE1 HIS A 92 13.489 2.191 22.452 1.00 0.00 H ATOM 1496 H HIS A 92 11.103 7.812 22.993 1.00 0.00 H ATOM 1497 N ALA A 93 13.622 8.731 25.976 1.00 11.82 N ATOM 1498 CA ALA A 93 14.074 10.036 26.404 1.00 11.78 C ATOM 1499 C ALA A 93 15.443 10.288 25.734 1.00 13.37 C ATOM 1500 O ALA A 93 15.650 11.363 25.166 1.00 11.94 O ATOM 1501 CB ALA A 93 14.196 10.087 27.932 1.00 10.48 C ATOM 1502 HA ALA A 93 13.361 10.807 26.113 1.00 0.00 H ATOM 1503 HB1 ALA A 93 13.223 9.884 28.380 1.00 0.00 H ATOM 1504 HB2 ALA A 93 14.914 9.337 28.263 1.00 0.00 H ATOM 1505 HB3 ALA A 93 14.537 11.077 28.235 1.00 0.00 H ATOM 1506 H ALA A 93 13.666 7.924 26.631 1.00 0.00 H ATOM 1507 N ASP A 94 16.335 9.289 25.737 1.00 12.84 N ATOM 1508 CA ASP A 94 17.683 9.449 25.164 1.00 11.58 C ATOM 1509 C ASP A 94 18.363 10.727 25.693 1.00 10.80 C ATOM 1510 O ASP A 94 18.546 10.822 26.911 1.00 12.30 O ATOM 1511 CB ASP A 94 17.646 9.417 23.624 1.00 11.98 C ATOM 1512 CG ASP A 94 17.385 8.010 23.065 1.00 12.51 C ATOM 1513 OD1 ASP A 94 17.178 7.056 23.877 1.00 13.26 O ATOM 1514 OD2 ASP A 94 17.388 7.869 21.808 1.00 12.61 O ATOM 1515 HA ASP A 94 18.286 8.601 25.488 1.00 0.00 H ATOM 1516 HB2 ASP A 94 16.853 10.081 23.280 1.00 0.00 H ATOM 1517 HB3 ASP A 94 18.605 9.771 23.245 1.00 0.00 H ATOM 1518 H ASP A 94 16.069 8.375 26.155 1.00 0.00 H ATOM 1519 N GLY A 95 18.715 11.678 24.825 1.00 11.25 N ATOM 1520 CA GLY A 95 19.363 12.922 25.260 1.00 10.79 C ATOM 1521 C GLY A 95 18.396 14.069 25.506 1.00 12.57 C ATOM 1522 O GLY A 95 18.816 15.173 25.855 1.00 12.91 O ATOM 1523 HA3 GLY A 95 20.070 13.228 24.489 1.00 0.00 H ATOM 1524 HA2 GLY A 95 19.902 12.723 26.186 1.00 0.00 H ATOM 1525 H GLY A 95 18.525 11.534 23.813 1.00 0.00 H ATOM 1526 N LEU A 96 17.084 13.810 25.371 1.00 10.95 N ATOM 1527 CA LEU A 96 16.058 14.851 25.614 1.00 10.77 C ATOM 1528 C LEU A 96 15.794 15.063 27.119 1.00 8.92 C ATOM 1529 O LEU A 96 16.079 14.226 28.002 1.00 10.88 O ATOM 1530 CB LEU A 96 14.731 14.469 24.907 1.00 6.94 C ATOM 1531 CG LEU A 96 14.655 14.248 23.404 1.00 8.94 C ATOM 1532 CD1 LEU A 96 13.190 14.029 23.029 1.00 12.29 C ATOM 1533 CD2 LEU A 96 15.200 15.465 22.643 1.00 11.01 C ATOM 1534 HA LEU A 96 16.443 15.785 25.204 1.00 0.00 H ATOM 1535 HB2 LEU A 96 14.394 13.541 25.370 1.00 0.00 H ATOM 1536 HB3 LEU A 96 14.023 15.266 25.135 1.00 0.00 H ATOM 1537 HG LEU A 96 15.259 13.382 23.135 1.00 0.00 H ATOM 1538 HD21 LEU A 96 14.611 16.346 22.899 1.00 0.00 H ATOM 1539 HD22 LEU A 96 16.241 15.630 22.921 1.00 0.00 H ATOM 1540 HD23 LEU A 96 15.134 15.281 21.571 1.00 0.00 H ATOM 1541 HD11 LEU A 96 12.808 13.155 23.557 1.00 0.00 H ATOM 1542 HD12 LEU A 96 12.609 14.908 23.310 1.00 0.00 H ATOM 1543 HD13 LEU A 96 13.112 13.868 21.954 1.00 0.00 H ATOM 1544 H LEU A 96 16.782 12.856 25.089 1.00 0.00 H ATOM 1545 N CYS A 97 15.217 16.215 27.451 1.00 9.93 N ATOM 1546 CA CYS A 97 14.879 16.495 28.839 1.00 8.41 C ATOM 1547 C CYS A 97 13.778 15.555 29.364 1.00 9.77 C ATOM 1548 O CYS A 97 13.701 15.381 30.589 1.00 10.24 O ATOM 1549 CB CYS A 97 14.456 17.964 29.017 1.00 10.35 C ATOM 1550 SG CYS A 97 12.983 18.478 28.051 1.00 13.64 S ATOM 1551 HA CYS A 97 15.778 16.315 29.429 1.00 0.00 H ATOM 1552 HB2 CYS A 97 15.293 18.595 28.717 1.00 0.00 H ATOM 1553 HB3 CYS A 97 14.240 18.127 30.073 1.00 0.00 H ATOM 1554 HG CYS A 97 12.713 19.808 28.300 1.00 0.00 H ATOM 1555 H CYS A 97 15.006 16.919 26.715 1.00 0.00 H ATOM 1556 N HIS A 98 12.975 14.952 28.479 1.00 10.08 N ATOM 1557 CA HIS A 98 11.900 14.012 28.851 1.00 10.01 C ATOM 1558 C HIS A 98 11.385 13.431 27.542 1.00 9.85 C ATOM 1559 O HIS A 98 11.563 14.045 26.456 1.00 9.59 O ATOM 1560 CB HIS A 98 10.736 14.769 29.520 1.00 8.53 C ATOM 1561 CG HIS A 98 9.781 13.876 30.260 1.00 10.59 C ATOM 1562 ND1 HIS A 98 8.658 13.322 29.670 1.00 8.84 N ATOM 1563 CD2 HIS A 98 9.781 13.448 31.548 1.00 7.00 C ATOM 1564 CE1 HIS A 98 8.007 12.602 30.565 1.00 10.10 C ATOM 1565 NE2 HIS A 98 8.669 12.663 31.711 1.00 10.38 N ATOM 1566 HA HIS A 98 12.271 13.253 29.540 1.00 0.00 H ATOM 1567 HB2 HIS A 98 11.153 15.488 30.226 1.00 0.00 H ATOM 1568 HB3 HIS A 98 10.181 15.301 28.747 1.00 0.00 H ATOM 1569 HD2 HIS A 98 10.525 13.684 32.309 1.00 0.00 H ATOM 1570 HE1 HIS A 98 7.083 12.051 30.391 1.00 0.00 H ATOM 1571 H HIS A 98 13.117 15.158 27.470 1.00 0.00 H ATOM 1572 N ARG A 99 10.781 12.240 27.600 1.00 9.52 N ATOM 1573 CA ARG A 99 10.208 11.675 26.365 1.00 10.75 C ATOM 1574 C ARG A 99 9.038 12.607 25.959 1.00 9.92 C ATOM 1575 O ARG A 99 8.468 13.241 26.858 1.00 12.09 O ATOM 1576 CB ARG A 99 9.689 10.246 26.581 1.00 10.15 C ATOM 1577 CG ARG A 99 8.568 10.134 27.516 1.00 13.25 C ATOM 1578 CD ARG A 99 7.877 8.673 27.449 1.00 15.82 C ATOM 1579 NE ARG A 99 6.608 8.665 28.183 1.00 17.28 N ATOM 1580 CZ ARG A 99 5.394 8.827 27.643 1.00 19.32 C ATOM 1581 NH1 ARG A 99 5.226 8.994 26.329 1.00 18.91 N ATOM 1582 NH2 ARG A 99 4.339 8.900 28.447 1.00 19.76 N ATOM 1583 HA ARG A 99 10.971 11.616 25.589 1.00 0.00 H ATOM 1584 HB2 ARG A 99 9.367 9.853 25.617 1.00 0.00 H ATOM 1585 HB3 ARG A 99 10.511 9.641 26.963 1.00 0.00 H ATOM 1586 HG2 ARG A 99 8.933 10.306 28.528 1.00 0.00 H ATOM 1587 HG3 ARG A 99 7.823 10.889 27.267 1.00 0.00 H ATOM 1588 HD2 ARG A 99 8.550 7.938 27.890 1.00 0.00 H ATOM 1589 HD3 ARG A 99 7.690 8.413 26.407 1.00 0.00 H ATOM 1590 HE ARG A 99 6.655 8.521 29.212 1.00 0.00 H ATOM 1591 HH12 ARG A 99 4.270 9.118 25.939 1.00 0.00 H ATOM 1592 HH11 ARG A 99 6.051 9.001 25.696 1.00 0.00 H ATOM 1593 HH22 ARG A 99 3.388 9.026 28.046 1.00 0.00 H ATOM 1594 HH21 ARG A 99 4.465 8.831 29.477 1.00 0.00 H ATOM 1595 H ARG A 99 10.717 11.722 28.499 1.00 0.00 H ATOM 1596 N LEU A 100 8.716 12.699 24.677 1.00 7.77 N ATOM 1597 CA LEU A 100 7.627 13.556 24.221 1.00 8.84 C ATOM 1598 C LEU A 100 6.326 12.933 24.751 1.00 10.43 C ATOM 1599 O LEU A 100 6.207 11.714 24.644 1.00 10.76 O ATOM 1600 CB LEU A 100 7.654 13.637 22.701 1.00 6.37 C ATOM 1601 CG LEU A 100 8.983 14.206 22.147 1.00 4.53 C ATOM 1602 CD1 LEU A 100 8.903 14.475 20.666 1.00 4.64 C ATOM 1603 CD2 LEU A 100 9.364 15.490 22.932 1.00 4.86 C ATOM 1604 HA LEU A 100 7.717 14.577 24.592 1.00 0.00 H ATOM 1605 HB2 LEU A 100 7.510 12.635 22.297 1.00 0.00 H ATOM 1606 HB3 LEU A 100 6.837 14.280 22.373 1.00 0.00 H ATOM 1607 HG LEU A 100 9.764 13.458 22.286 1.00 0.00 H ATOM 1608 HD21 LEU A 100 8.574 16.232 22.817 1.00 0.00 H ATOM 1609 HD22 LEU A 100 9.484 15.247 23.988 1.00 0.00 H ATOM 1610 HD23 LEU A 100 10.300 15.889 22.541 1.00 0.00 H ATOM 1611 HD11 LEU A 100 8.683 13.546 20.141 1.00 0.00 H ATOM 1612 HD12 LEU A 100 8.112 15.200 20.472 1.00 0.00 H ATOM 1613 HD13 LEU A 100 9.856 14.873 20.318 1.00 0.00 H ATOM 1614 H LEU A 100 9.253 12.147 23.978 1.00 0.00 H ATOM 1615 N THR A 101 5.431 13.710 25.369 1.00 10.09 N ATOM 1616 CA THR A 101 4.182 13.152 25.914 1.00 9.71 C ATOM 1617 C THR A 101 2.991 13.639 25.087 1.00 11.13 C ATOM 1618 O THR A 101 2.577 12.913 24.191 1.00 13.28 O ATOM 1619 CB THR A 101 4.028 13.459 27.435 1.00 9.71 C ATOM 1620 OG1 THR A 101 4.159 14.873 27.655 1.00 12.82 O ATOM 1621 CG2 THR A 101 5.092 12.715 28.277 1.00 7.58 C ATOM 1622 HA THR A 101 4.218 12.065 25.835 1.00 0.00 H ATOM 1623 HB THR A 101 3.042 13.115 27.748 1.00 0.00 H ATOM 1624 HG1 THR A 101 4.061 15.066 28.621 1.00 0.00 H ATOM 1625 HG23 THR A 101 4.997 11.641 28.114 1.00 0.00 H ATOM 1626 HG21 THR A 101 6.087 13.043 27.975 1.00 0.00 H ATOM 1627 HG22 THR A 101 4.939 12.938 29.333 1.00 0.00 H ATOM 1628 H THR A 101 5.620 14.728 25.467 1.00 0.00 H ATOM 1629 N THR A 102 2.517 14.874 25.278 1.00 11.18 N ATOM 1630 CA THR A 102 1.385 15.366 24.473 1.00 13.34 C ATOM 1631 C THR A 102 1.634 16.751 23.854 1.00 12.44 C ATOM 1632 O THR A 102 2.466 17.535 24.317 1.00 12.39 O ATOM 1633 CB THR A 102 0.065 15.406 25.286 1.00 16.09 C ATOM 1634 OG1 THR A 102 0.248 16.272 26.409 1.00 18.66 O ATOM 1635 CG2 THR A 102 -0.341 13.981 25.786 1.00 16.62 C ATOM 1636 HA THR A 102 1.289 14.645 23.661 1.00 0.00 H ATOM 1637 HB THR A 102 -0.733 15.774 24.641 1.00 0.00 H ATOM 1638 HG1 THR A 102 0.983 15.926 26.975 1.00 0.00 H ATOM 1639 HG23 THR A 102 -0.480 13.322 24.929 1.00 0.00 H ATOM 1640 HG21 THR A 102 0.446 13.584 26.427 1.00 0.00 H ATOM 1641 HG22 THR A 102 -1.271 14.047 26.350 1.00 0.00 H ATOM 1642 H THR A 102 2.948 15.490 25.997 1.00 0.00 H ATOM 1643 N VAL A 103 0.870 17.033 22.807 1.00 12.54 N ATOM 1644 CA VAL A 103 0.955 18.269 22.058 1.00 14.33 C ATOM 1645 C VAL A 103 0.627 19.459 22.935 1.00 11.79 C ATOM 1646 O VAL A 103 -0.328 19.421 23.708 1.00 11.16 O ATOM 1647 CB VAL A 103 -0.008 18.251 20.873 1.00 15.40 C ATOM 1648 CG1 VAL A 103 0.220 19.481 19.999 1.00 18.78 C ATOM 1649 CG2 VAL A 103 0.202 16.979 20.064 1.00 20.50 C ATOM 1650 HA VAL A 103 1.979 18.359 21.696 1.00 0.00 H ATOM 1651 HB VAL A 103 -1.034 18.271 21.240 1.00 0.00 H ATOM 1652 HG11 VAL A 103 0.048 20.381 20.589 1.00 0.00 H ATOM 1653 HG12 VAL A 103 1.245 19.478 19.630 1.00 0.00 H ATOM 1654 HG13 VAL A 103 -0.471 19.460 19.156 1.00 0.00 H ATOM 1655 HG21 VAL A 103 1.228 16.948 19.698 1.00 0.00 H ATOM 1656 HG22 VAL A 103 0.014 16.112 20.697 1.00 0.00 H ATOM 1657 HG23 VAL A 103 -0.487 16.969 19.219 1.00 0.00 H ATOM 1658 H VAL A 103 0.169 16.325 22.507 1.00 0.00 H ATOM 1659 N CYS A 104 1.394 20.537 22.785 1.00 11.69 N ATOM 1660 CA CYS A 104 1.183 21.735 23.583 1.00 11.39 C ATOM 1661 C CYS A 104 -0.154 22.428 23.250 1.00 12.44 C ATOM 1662 O CYS A 104 -0.560 22.504 22.091 1.00 9.86 O ATOM 1663 CB CYS A 104 2.318 22.718 23.319 1.00 11.19 C ATOM 1664 SG CYS A 104 2.296 24.191 24.335 1.00 13.92 S ATOM 1665 HA CYS A 104 1.158 21.433 24.630 1.00 0.00 H ATOM 1666 HB2 CYS A 104 2.262 23.026 22.275 1.00 0.00 H ATOM 1667 HB3 CYS A 104 3.261 22.200 23.494 1.00 0.00 H ATOM 1668 HG CYS A 104 1.119 24.879 24.120 1.00 0.00 H ATOM 1669 H CYS A 104 2.160 20.522 22.082 1.00 0.00 H ATOM 1670 N PRO A 105 -0.858 22.887 24.286 1.00 15.12 N ATOM 1671 CA PRO A 105 -2.123 23.585 24.083 1.00 20.53 C ATOM 1672 C PRO A 105 -1.797 24.968 23.486 1.00 24.79 C ATOM 1673 O PRO A 105 -0.678 25.493 23.648 1.00 24.87 O ATOM 1674 CB PRO A 105 -2.640 23.776 25.526 1.00 19.73 C ATOM 1675 CG PRO A 105 -2.037 22.647 26.291 1.00 20.15 C ATOM 1676 CD PRO A 105 -0.648 22.566 25.707 1.00 16.73 C ATOM 1677 HA PRO A 105 -2.829 23.070 23.432 1.00 0.00 H ATOM 1678 HD3 PRO A 105 0.016 23.291 26.177 1.00 0.00 H ATOM 1679 HD2 PRO A 105 -0.233 21.565 25.824 1.00 0.00 H ATOM 1680 HG3 PRO A 105 -2.588 21.721 26.128 1.00 0.00 H ATOM 1681 HG2 PRO A 105 -2.004 22.866 27.358 1.00 0.00 H ATOM 1682 HB2 PRO A 105 -2.312 24.734 25.930 1.00 0.00 H ATOM 1683 HB3 PRO A 105 -3.728 23.724 25.556 1.00 0.00 H ATOM 1684 N THR A 106 -2.791 25.522 22.794 1.00 29.77 N ATOM 1685 CA THR A 106 -2.794 26.848 22.171 1.00 34.08 C ATOM 1686 C THR A 106 -3.549 27.825 23.085 1.00 34.60 C ATOM 1687 O THR A 106 -4.401 27.401 23.918 1.00 33.93 O ATOM 1688 CB THR A 106 -3.485 26.762 20.796 1.00 36.88 C ATOM 1689 OG1 THR A 106 -2.571 26.180 19.859 1.00 41.51 O ATOM 1690 CG2 THR A 106 -3.978 28.106 20.291 1.00 37.02 C ATOM 1691 HA THR A 106 -1.773 27.202 22.031 1.00 0.00 H ATOM 1692 HB THR A 106 -4.372 26.139 20.906 1.00 0.00 H ATOM 1693 HG1 THR A 106 -3.004 26.120 18.971 1.00 0.00 H ATOM 1694 HG23 THR A 106 -4.671 28.533 21.016 1.00 0.00 H ATOM 1695 HG21 THR A 106 -3.129 28.777 20.159 1.00 0.00 H ATOM 1696 HG22 THR A 106 -4.486 27.970 19.337 1.00 0.00 H ATOM 1697 H THR A 106 -3.655 24.954 22.684 1.00 0.00 H TER 1698 THR A 106 HETATM 1699 O HOH 1 4.839 13.756 31.627 1.00 8.47 O HETATM 1700 O HOH 2 15.547 16.237 32.390 1.00 14.27 O HETATM 1701 O HOH 3 18.660 9.552 20.299 1.00 13.37 O HETATM 1702 O HOH 4 5.599 33.650 17.115 1.00 18.17 O HETATM 1703 O HOH 5 6.825 20.374 31.915 1.00 10.04 O HETATM 1704 O HOH 6 5.168 20.587 34.565 1.00 18.47 O HETATM 1705 O HOH 7 0.261 12.961 15.488 1.00 25.96 O HETATM 1706 O HOH 8 15.440 34.397 19.584 1.00 30.60 O HETATM 1707 O HOH 9 20.496 18.859 15.896 1.00 16.61 O HETATM 1708 O HOH 10 16.670 34.405 15.575 1.00 25.29 O HETATM 1709 O HOH 11 20.610 5.122 17.203 1.00 32.50 O HETATM 1710 O HOH 12 17.943 4.411 18.299 1.00 29.75 O HETATM 1711 O HOH 13 5.652 6.795 20.082 1.00 30.54 O HETATM 1712 O HOH 14 21.220 8.592 19.835 1.00 18.99 O HETATM 1713 O HOH 15 18.894 15.862 28.783 1.00 15.31 O HETATM 1714 O HOH 16 3.953 31.287 29.692 1.00 30.67 O HETATM 1715 O HOH 17 3.525 11.879 21.043 1.00 36.00 O HETATM 1716 O HOH 18 12.662 28.121 30.040 1.00 16.85 O HETATM 1717 O HOH 19 10.527 33.797 26.780 1.00 31.96 O HETATM 1718 O HOH 20 7.897 33.674 26.996 1.00 18.89 O HETATM 1719 O HOH 21 9.871 29.526 13.868 1.00 36.60 O HETATM 1720 O HOH 22 3.564 10.301 23.568 1.00 32.47 O HETATM 1721 O HOH 23 7.585 5.881 13.265 1.00 40.35 O HETATM 1722 O HOH 24 11.421 31.259 12.674 1.00 46.07 O HETATM 1723 O HOH 25 12.067 30.166 9.944 1.00 23.61 O HETATM 1724 O HOH 26 15.276 17.967 34.255 1.00 44.98 O HETATM 1725 O HOH 27 -1.898 14.828 19.848 1.00 41.53 O HETATM 1726 O HOH 28 5.287 35.606 21.722 1.00 31.41 O HETATM 1727 O HOH 29 0.466 29.995 28.315 1.00 28.06 O HETATM 1728 O HOH 30 11.350 29.802 32.466 1.00 88.46 O HETATM 1729 O HOH 31 -0.256 21.894 11.742 1.00 33.36 O HETATM 1730 O HOH 32 15.501 21.105 31.461 1.00 21.85 O HETATM 1731 O HOH 33 -2.898 22.567 20.520 1.00 26.61 O HETATM 1732 O HOH 34 8.505 9.158 30.859 1.00 15.47 O HETATM 1733 O HOH 35 16.405 26.840 26.900 1.00 34.50 O HETATM 1734 O HOH 36 4.224 11.167 15.500 1.00 44.93 O HETATM 1735 O HOH 37 -0.925 14.867 22.126 1.00 23.77 O HETATM 1736 O HOH 38 0.135 28.575 33.990 1.00 30.27 O HETATM 1737 O HOH 39 15.400 24.911 30.499 1.00 21.74 O HETATM 1738 O HOH 40 -4.060 16.531 19.282 1.00 25.52 O HETATM 1739 O HOH 41 -2.675 21.126 18.281 1.00 27.57 O HETATM 1740 O HOH 42 28.126 12.159 19.089 1.00 42.14 O HETATM 1741 O HOH 43 5.379 7.773 12.492 1.00 49.37 O HETATM 1742 O HOH 44 1.228 25.000 11.202 1.00 45.30 O HETATM 1743 O HOH 45 11.098 10.924 33.054 1.00 36.55 O HETATM 1744 O HOH 46 3.365 33.241 11.682 1.00 80.65 O HETATM 1745 O HOH 47 0.449 30.497 31.852 1.00 37.66 O HETATM 1746 O HOH 48 -4.640 19.171 18.325 1.00 31.10 O HETATM 1747 O HOH 49 0.627 30.276 18.529 1.00 38.14 O HETATM 1748 O HOH 50 10.220 31.153 7.358 1.00 31.89 O HETATM 1749 O HOH 51 5.407 36.815 24.270 1.00 34.26 O HETATM 1750 O HOH 52 21.514 33.399 15.744 1.00 50.04 O HETATM 1751 O HOH 53 18.259 20.869 32.034 1.00 30.20 O HETATM 1752 O HOH 54 11.100 16.894 40.443 1.00 35.52 O HETATM 1753 O HOH 55 7.234 29.438 5.992 1.00 51.49 O HETATM 1754 O HOH 56 -2.310 27.547 33.111 1.00 32.33 O HETATM 1755 O HOH 57 5.518 4.299 19.495 1.00 56.97 O HETATM 1756 O HOH 58 20.656 6.434 12.395 1.00 12.07 O HETATM 1757 O HOH 59 21.212 23.060 28.321 1.00 39.18 O HETATM 1758 O HOH 60 18.216 17.969 27.301 1.00 23.60 O HETATM 1759 O HOH 61 3.331 22.030 35.727 1.00 39.84 O HETATM 1760 O HOH 62 0.436 33.655 28.090 1.00 54.12 O HETATM 1761 O HOH 63 19.738 20.915 19.597 1.00 11.58 O HETATM 1762 O HOH 64 7.931 12.018 34.063 1.00 28.01 O HETATM 1763 O HOH 65 3.678 28.898 9.752 1.00 29.57 O HETATM 1764 O HOH 66 6.555 26.083 8.273 1.00 27.94 O HETATM 1765 O HOH 67 5.624 35.264 11.085 1.00 38.45 O HETATM 1766 O HOH 68 7.789 26.347 38.155 1.00 22.33 O HETATM 1767 O HOH 69 14.545 5.252 11.644 1.00 13.97 O HETATM 1768 O HOH 70 -1.123 28.521 26.434 1.00 46.33 O HETATM 1769 O HOH 71 -2.619 18.922 33.280 1.00 16.89 O HETATM 1770 O HOH 72 14.247 20.830 34.314 1.00 46.45 O HETATM 1771 O HOH 73 13.648 17.543 40.897 1.00 25.18 O HETATM 1772 O HOH 74 17.287 24.921 25.031 1.00 12.29 O HETATM 1773 O HOH 75 18.230 12.069 16.450 1.00 8.82 O HETATM 1774 O HOH 76 18.272 12.993 28.672 1.00 12.42 O HETATM 1775 O HOH 77 6.086 35.861 26.635 1.00 37.83 O HETATM 1776 O HOH 78 13.563 27.759 8.248 1.00 41.65 O HETATM 1777 O HOH 79 13.420 27.924 35.064 1.00 32.44 O HETATM 1778 O HOH 80 22.414 24.054 17.990 1.00 50.33 O HETATM 1779 O HOH 81 12.504 6.025 9.729 1.00 22.26 O HETATM 1780 O HOH 82 12.395 15.372 33.865 1.00 26.77 O HETATM 1781 O HOH 83 3.475 31.026 6.992 1.00 69.78 O HETATM 1782 O HOH 84 5.163 26.439 37.423 1.00 34.28 O HETATM 1783 O HOH 85 15.839 27.751 31.902 1.00 58.71 O HETATM 1784 O HOH 86 15.518 30.107 7.980 1.00 43.77 O HETATM 1785 O HOH 87 -0.847 23.616 16.070 1.00 34.18 O HETATM 1786 O HOH 88 27.065 5.300 17.372 1.00 43.84 O HETATM 1787 O HOH 89 13.479 30.130 6.281 1.00 49.38 O HETATM 1788 O HOH 90 1.292 37.178 23.971 1.00 65.87 O HETATM 1789 O HOH 91 19.702 24.594 26.513 1.00 43.72 O HETATM 1790 O HOH 92 8.959 12.796 5.108 1.00 77.62 O HETATM 1791 O HOH 93 5.287 8.854 8.495 1.00 52.40 O HETATM 1792 O HOH 94 12.160 10.584 37.137 1.00 26.50 O HETATM 1793 O HOH 95 13.518 9.809 35.080 1.00 31.86 O HETATM 1794 O HOH 96 23.102 15.454 2.330 1.00 62.68 O HETATM 1795 O HOH 97 16.213 27.914 35.384 1.00 44.57 O HETATM 1796 O HOH 98 19.607 19.681 29.658 1.00 42.52 O HETATM 1797 O HOH 99 9.640 16.304 38.182 1.00 21.52 O HETATM 1798 O HOH 100 10.008 8.911 34.410 1.00 33.26 O HETATM 1799 O HOH 101 5.686 11.129 31.380 1.00 41.80 O HETATM 1800 O HOH 102 3.624 28.961 35.151 1.00 42.74 O HETATM 1801 O HOH 103 17.506 32.393 20.674 1.00 42.51 O HETATM 1802 O HOH 104 24.599 30.721 20.041 1.00 39.02 O HETATM 1803 O HOH 105 11.745 25.252 7.517 1.00 41.87 O HETATM 1804 O HOH 106 12.249 13.202 2.977 1.00 59.48 O HETATM 1805 O HOH 107 11.714 2.669 4.640 1.00 65.39 O HETATM 1806 O HOH 108 1.811 24.793 8.600 1.00 32.68 O HETATM 1807 O HOH 109 13.210 33.167 23.472 1.00 63.59 O HETATM 1808 O HOH 110 1.576 36.170 21.466 1.00 59.57 O HETATM 1809 O HOH 111 5.693 30.246 33.776 1.00 59.20 O HETATM 1810 O HOH 112 17.681 24.300 12.774 1.00 52.68 O HETATM 1811 O HOH 113 4.415 23.795 37.291 1.00 34.10 O HETATM 1812 O HOH 114 12.130 18.561 2.666 1.00 40.21 O HETATM 1813 O HOH 115 3.825 26.948 7.450 1.00 48.61 O HETATM 1814 O HOH 116 23.836 24.889 14.634 1.00 51.72 O HETATM 1815 O HOH 117 26.829 28.007 16.343 1.00 53.51 O HETATM 1816 O HOH 118 16.568 29.823 29.604 1.00 79.22 O HETATM 1817 O HOH 119 20.977 33.629 22.130 1.00 83.91 O HETATM 1818 O HOH 120 10.185 18.801 5.360 1.00 75.26 O HETATM 1819 O HOH 121 18.904 32.057 23.503 1.00 63.57 O HETATM 1820 O HOH 122 19.207 20.878 7.648 1.00 52.33 O HETATM 1821 O HOH 123 24.379 24.884 8.422 1.00 58.51 O HETATM 1822 O HOH 124 1.486 30.574 34.819 1.00 65.57 O HETATM 1823 O HOH 125 1.560 15.833 28.384 1.00 19.60 O HETATM 1824 O HOH 126 20.690 28.525 26.831 1.00 56.93 O HETATM 1825 O HOH 127 17.816 25.118 28.850 1.00 45.24 O HETATM 1826 O HOH 128 16.104 28.790 38.053 1.00 51.07 O HETATM 1827 C1 UNN A 129 18.347 25.151 18.260 1.00 -0.05 C HETATM 1828 C2 UNN A 129 17.919 25.760 17.121 1.00 -0.04 C HETATM 1829 C3 UNN A 129 17.162 26.870 17.259 1.00 0.05 C HETATM 1830 C4 UNN A 129 16.782 27.397 18.474 1.00 0.05 C HETATM 1831 C5 UNN A 129 17.213 26.814 19.718 1.00 -0.04 C HETATM 1832 C6 UNN A 129 18.069 25.641 19.511 1.00 -0.03 C HETATM 1833 C7 UNN A 129 19.000 24.771 20.330 1.00 0.02 C HETATM 1834 C8 UNN A 129 19.009 25.339 21.754 1.00 0.14 C HETATM 1835 C9 UNN A 129 19.858 24.427 22.627 1.00 0.21 C HETATM 1836 N10 UNN A 129 19.244 23.408 23.265 1.00 -0.26 N HETATM 1837 C16 UNN A 129 20.017 22.429 24.037 1.00 0.13 C HETATM 1838 C17 UNN A 129 18.953 21.486 24.621 1.00 -0.01 C HETATM 1839 C18 UNN A 129 19.468 20.302 25.544 1.00 -0.05 C HETATM 1840 C19 UNN A 129 20.829 20.560 26.147 1.00 -0.03 C HETATM 1841 C20 UNN A 129 21.948 20.240 25.159 1.00 0.04 C HETATM 1842 N21 UNN A 129 21.931 20.790 23.766 1.00 -0.26 N HETATM 1843 C22 UNN A 129 21.052 21.704 23.156 1.00 0.21 C HETATM 1844 O25 UNN A 129 21.091 21.963 21.947 1.00 -0.39 O HETATM 1845 C23 UNN A 129 22.965 20.082 22.973 1.00 0.07 C HETATM 1846 C24 UNN A 129 22.536 18.674 22.788 1.00 -0.02 C HETATM 1847 C27 UNN A 129 21.481 18.482 21.876 1.00 -0.06 C HETATM 1848 C28 UNN A 129 20.870 17.211 21.794 1.00 -0.06 C HETATM 1849 C29 UNN A 129 21.339 16.137 22.596 1.00 -0.02 C HETATM 1850 C30 UNN A 129 22.463 16.315 23.456 1.00 -0.06 C HETATM 1851 C31 UNN A 129 23.063 17.598 23.558 1.00 -0.06 C HETATM 1852 H26 UNN A 129 23.912 17.756 24.214 1.00 0.06 H HETATM 1853 H25 UNN A 129 22.855 15.480 24.026 1.00 0.06 H HETATM 1854 C32 UNN A 129 20.650 14.829 22.447 1.00 -0.02 C HETATM 1855 C59 UNN A 129 21.416 13.637 22.418 1.00 -0.06 C HETATM 1856 C60 UNN A 129 20.803 12.405 22.065 1.00 -0.06 C HETATM 1857 C61 UNN A 129 19.432 12.372 21.754 1.00 -0.06 C HETATM 1858 C62 UNN A 129 18.634 13.527 21.869 1.00 -0.06 C HETATM 1859 C63 UNN A 129 19.243 14.750 22.213 1.00 -0.06 C HETATM 1860 H31 UNN A 129 18.636 15.643 22.301 1.00 0.06 H HETATM 1861 H30 UNN A 129 17.565 13.476 21.695 1.00 0.06 H HETATM 1862 H29 UNN A 129 18.983 11.444 21.421 1.00 0.06 H HETATM 1863 H28 UNN A 129 21.390 11.494 22.035 1.00 0.06 H HETATM 1864 H27 UNN A 129 22.471 13.665 22.666 1.00 0.06 H HETATM 1865 H24 UNN A 129 20.039 17.055 21.116 1.00 0.06 H HETATM 1866 H23 UNN A 129 21.143 19.297 21.246 1.00 0.06 H HETATM 1867 H21 UNN A 129 23.926 20.110 23.508 1.00 0.07 H HETATM 1868 H22 UNN A 129 23.077 20.567 21.992 1.00 0.07 H HETATM 1869 H19 UNN A 129 21.975 19.145 25.062 1.00 0.05 H HETATM 1870 H20 UNN A 129 22.883 20.590 25.622 1.00 0.05 H HETATM 1871 H17 UNN A 129 20.950 19.930 27.040 1.00 0.03 H HETATM 1872 H18 UNN A 129 20.898 21.620 26.434 1.00 0.03 H HETATM 1873 H15 UNN A 129 19.523 19.386 24.938 1.00 0.03 H HETATM 1874 H16 UNN A 129 18.746 20.158 26.361 1.00 0.03 H HETATM 1875 H13 UNN A 129 18.409 21.036 23.777 1.00 0.03 H HETATM 1876 H14 UNN A 129 18.261 22.097 25.220 1.00 0.03 H HETATM 1877 H12 UNN A 129 20.554 22.933 24.854 1.00 0.08 H HETATM 1878 H7 UNN A 129 18.249 23.319 23.211 1.00 0.19 H HETATM 1879 O15 UNN A 129 21.083 24.708 22.749 1.00 -0.39 O HETATM 1880 N11 UNN A 129 19.462 26.730 21.796 1.00 -0.26 N HETATM 1881 C12 UNN A 129 18.795 27.714 22.404 1.00 0.18 C HETATM 1882 C13 UNN A 129 19.550 28.977 22.211 1.00 0.03 C HETATM 1883 H9 UNN A 129 19.017 29.802 22.705 1.00 0.05 H HETATM 1884 H10 UNN A 129 19.639 29.190 21.136 1.00 0.05 H HETATM 1885 H11 UNN A 129 20.554 28.875 22.649 1.00 0.05 H HETATM 1886 O14 UNN A 129 17.727 27.614 23.020 1.00 -0.40 O HETATM 1887 H8 UNN A 129 20.323 26.957 21.342 1.00 0.19 H HETATM 1888 H6 UNN A 129 17.978 25.318 22.138 1.00 0.08 H HETATM 1889 H4 UNN A 129 20.014 24.800 19.906 1.00 0.05 H HETATM 1890 H5 UNN A 129 18.636 23.733 20.340 1.00 0.05 H HETATM 1891 H3 UNN A 129 16.937 27.197 20.694 1.00 0.06 H HETATM 1892 P69 UNN A 129 15.867 28.857 18.234 1.00 0.09 P HETATM 1893 O70 UNN A 129 14.849 28.882 17.170 1.00 -0.56 O HETATM 1894 O71 UNN A 129 16.700 30.044 18.293 1.00 -0.56 O HETATM 1895 O72 UNN A 129 15.072 28.665 19.392 1.00 -0.56 O HETATM 1896 P26 UNN A 129 16.620 27.536 15.727 1.00 0.08 P HETATM 1897 O73 UNN A 129 15.216 27.248 15.497 1.00 -0.56 O HETATM 1898 O74 UNN A 129 17.412 27.153 14.410 1.00 -0.56 O HETATM 1899 O75 UNN A 129 17.127 28.992 15.628 1.00 -0.56 O HETATM 1900 H2 UNN A 129 18.175 25.370 16.142 1.00 0.07 H HETATM 1901 H1 UNN A 129 18.931 24.242 18.176 1.00 0.06 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1827 1828 1832 1901 CONECT 1828 1827 1829 1900 CONECT 1829 1828 1830 1896 CONECT 1830 1829 1831 1892 CONECT 1831 1830 1832 1891 CONECT 1832 1827 1831 1833 CONECT 1833 1832 1834 1889 1890 CONECT 1834 1833 1835 1880 1888 CONECT 1835 1834 1836 1879 CONECT 1836 1835 1837 1878 CONECT 1837 1836 1838 1843 1877 CONECT 1838 1837 1839 1875 1876 CONECT 1839 1838 1840 1873 1874 CONECT 1840 1839 1841 1871 1872 CONECT 1841 1840 1842 1869 1870 CONECT 1842 1841 1843 1845 CONECT 1843 1837 1842 1844 CONECT 1844 1843 CONECT 1845 1842 1846 1867 1868 CONECT 1846 1845 1847 1851 CONECT 1847 1846 1848 1866 CONECT 1848 1847 1849 1865 CONECT 1849 1848 1850 1854 CONECT 1850 1849 1851 1853 CONECT 1851 1846 1850 1852 CONECT 1852 1851 CONECT 1853 1850 CONECT 1854 1849 1855 1859 CONECT 1855 1854 1856 1864 CONECT 1856 1855 1857 1863 CONECT 1857 1856 1858 1862 CONECT 1858 1857 1859 1861 CONECT 1859 1854 1858 1860 CONECT 1860 1859 CONECT 1861 1858 CONECT 1862 1857 CONECT 1863 1856 CONECT 1864 1855 CONECT 1865 1848 CONECT 1866 1847 CONECT 1867 1845 CONECT 1868 1845 CONECT 1869 1841 CONECT 1870 1841 CONECT 1871 1840 CONECT 1872 1840 CONECT 1873 1839 CONECT 1874 1839 CONECT 1875 1838 CONECT 1876 1838 CONECT 1877 1837 CONECT 1878 1836 CONECT 1879 1835 CONECT 1880 1834 1881 1887 CONECT 1881 1880 1882 1886 CONECT 1882 1881 1883 1884 1885 CONECT 1883 1882 CONECT 1884 1882 CONECT 1885 1882 CONECT 1886 1881 CONECT 1887 1880 CONECT 1888 1834 CONECT 1889 1833 CONECT 1890 1833 CONECT 1891 1831 CONECT 1892 1830 1893 1894 1895 CONECT 1893 1892 CONECT 1894 1892 CONECT 1895 1892 CONECT 1896 1829 1897 1898 1899 CONECT 1897 1896 CONECT 1898 1896 CONECT 1899 1896 CONECT 1900 1828 CONECT 1901 1827 MASTER 0 0 0 0 0 0 0 0 1900 1 79 9 END
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Related entries of code: 1o4b
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%
1o47
RCSB PDB
PDBbind
108aa, >1O47_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%
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
1o4b
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
proto-oncogene tyrosine-protein kinase src
Ligand Name
876
EC.Number
E.C.2.7.1.112
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
IC50=2uM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
J.Med.Chem. v46 pp. 5184-95, 2003
Ligand Properties
Formula
C
3
0
H
3
7
N
3
O
9
P
2
Molecular Weight
645.577
Exact Mass
645.201
No. of atoms
81
No. of bonds
84
Polar Surface Area
227.07
LOGP Value
0.15 (
Computed with XLOGP3
)
1.55 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 4
Canonical SMILES
CC(=O)N[C@H](C(=O)N[C@H]1CCCCN(C1=O)Cc1ccc(cc1)c1ccccc1)Cc1ccc(c(c1)P(O)(O)O)P(O)(O)O
InChI String
InChI=1S/C30H39N3O9P2/c1-20(34)31-26(17-22-12-15-27(43(37,38)39)28(18-22)44(40,41)42)29(35)32-25-9-5-6-16-33(30(25)36)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,18,25-26,37-44H,5-6,9,16-17,19H2,1H3,(H,31,34)(H,32,35)/t25-,26-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P12931
Entrez Gene ID
NCBI Entrez Gene ID:
6714
ASD
Information of known allosteric effects of PDB entries
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