Browse entries in the PDBbind-CN Database
HEADER 4TKH_COMPLEX COMPND 4TKH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 133 MET VAL ASP ALA PHE LEU GLY THR TRP LYS LEU VAL ASP SEQRES 2 A 133 SER LYS ASN PHE ASP ASP TYR MET LYS SER LEU GLY VAL SEQRES 3 A 133 GLY PHE ALA THR ARG GLN VAL ALA SER MET THR LYS PRO SEQRES 4 A 133 THR THR ILE ILE GLU LYS ASN GLY ASP ILE LEU THR LEU SEQRES 5 A 133 LYS THR HIS SER THR PHE LYS ASN THR GLU ILE SER PHE SEQRES 6 A 133 LYS LEU GLY VAL GLU PHE ASP GLU THR THR ALA ASP ASP SEQRES 7 A 133 ARG LYS VAL LYS SER ILE VAL THR LEU ASP GLY GLY LYS SEQRES 8 A 133 LEU VAL HIS LEU GLN LYS TRP ASP GLY GLN GLU THR THR SEQRES 9 A 133 LEU VAL ARG GLU LEU ILE ASP GLY LYS LEU ILE LEU THR SEQRES 10 A 133 LEU THR HIS GLY THR ALA VAL CYS THR ARG THR TYR GLU SEQRES 11 A 133 LYS GLU ALA HET MYR A 299 41 ATOM 1 N MET A 0 -12.300 4.907 4.818 1.00 55.98 N ATOM 2 CA MET A 0 -11.777 3.915 5.775 1.00 35.64 C ATOM 3 C MET A 0 -11.358 2.597 5.053 1.00 24.83 C ATOM 4 O MET A 0 -10.172 2.341 4.930 1.00 34.04 O ATOM 5 CB MET A 0 -12.744 3.784 6.986 1.00 44.23 C ATOM 6 CG MET A 0 -12.502 4.823 8.138 1.00 49.70 C ATOM 7 SD MET A 0 -13.995 5.673 8.723 1.00 33.63 S ATOM 8 CE MET A 0 -14.928 5.541 7.204 1.00 55.01 C ATOM 9 HN3 MET A 0 -13.133 4.515 4.334 1.00 0.00 H ATOM 10 HN2 MET A 0 -11.565 5.132 4.117 1.00 0.00 H ATOM 11 HN1 MET A 0 -12.570 5.772 5.329 1.00 0.00 H ATOM 12 N VAL A 1 -12.257 1.800 4.473 1.00 20.93 N ATOM 13 CA VAL A 1 -11.829 0.517 3.881 1.00 14.88 C ATOM 14 C VAL A 1 -11.544 0.623 2.412 1.00 10.79 C ATOM 15 O VAL A 1 -11.180 -0.365 1.807 1.00 11.40 O ATOM 16 CB VAL A 1 -13.008 -0.470 4.125 1.00 19.67 C ATOM 17 CG1 VAL A 1 -14.201 -0.183 3.267 1.00 24.19 C ATOM 18 CG2 VAL A 1 -12.566 -1.869 3.968 1.00 29.45 C ATOM 19 H VAL A 1 -13.257 2.082 4.438 1.00 0.00 H ATOM 20 N ASP A 2 -11.731 1.797 1.807 1.00 11.04 N ATOM 21 CA ASP A 2 -11.841 1.893 0.352 1.00 10.30 C ATOM 22 C ASP A 2 -10.599 1.448 -0.422 1.00 9.43 C ATOM 23 O ASP A 2 -10.761 0.901 -1.495 1.00 10.15 O ATOM 24 CB ASP A 2 -12.334 3.211 -0.125 1.00 11.15 C ATOM 25 CG ASP A 2 -13.712 3.490 0.437 1.00 12.00 C ATOM 26 OD1 ASP A 2 -14.722 3.060 -0.242 1.00 12.14 O ATOM 27 OD2 ASP A 2 -13.680 3.994 1.545 1.00 16.94 O ATOM 28 H ASP A 2 -11.800 2.661 2.381 1.00 0.00 H ATOM 29 N ALA A 3 -9.412 1.668 0.113 1.00 11.44 N ATOM 30 CA ALA A 3 -8.227 1.284 -0.636 1.00 12.94 C ATOM 31 C ALA A 3 -8.040 -0.248 -0.719 1.00 10.57 C ATOM 32 O ALA A 3 -7.284 -0.720 -1.553 1.00 13.69 O ATOM 33 CB ALA A 3 -6.992 1.893 0.005 1.00 22.64 C ATOM 34 H ALA A 3 -9.327 2.107 1.052 1.00 0.00 H ATOM 35 N PHE A 4 -8.755 -1.017 0.144 1.00 8.76 N ATOM 36 CA PHE A 4 -8.725 -2.458 0.076 1.00 8.61 C ATOM 37 C PHE A 4 -9.632 -3.037 -1.001 1.00 7.64 C ATOM 38 O PHE A 4 -9.531 -4.218 -1.305 1.00 8.22 O ATOM 39 CB PHE A 4 -9.149 -3.083 1.393 1.00 8.84 C ATOM 40 CG PHE A 4 -8.177 -2.840 2.525 1.00 9.07 C ATOM 41 CD1 PHE A 4 -7.057 -3.687 2.651 1.00 10.19 C ATOM 42 CD2 PHE A 4 -8.318 -1.843 3.431 1.00 9.91 C ATOM 43 CE1 PHE A 4 -6.175 -3.494 3.698 1.00 10.72 C ATOM 44 CE2 PHE A 4 -7.404 -1.650 4.467 1.00 10.64 C ATOM 45 CZ PHE A 4 -6.294 -2.482 4.562 1.00 10.32 C ATOM 46 H PHE A 4 -9.338 -0.556 0.871 1.00 0.00 H ATOM 47 N LEU A 5 -10.569 -2.235 -1.504 1.00 7.67 N ATOM 48 CA LEU A 5 -11.585 -2.782 -2.404 1.00 7.16 C ATOM 49 C LEU A 5 -10.990 -3.117 -3.750 1.00 7.85 C ATOM 50 O LEU A 5 -10.110 -2.409 -4.233 1.00 13.71 O ATOM 51 CB LEU A 5 -12.719 -1.781 -2.540 1.00 7.81 C ATOM 52 CG LEU A 5 -13.388 -1.361 -1.230 1.00 8.27 C ATOM 53 CD1 LEU A 5 -14.471 -0.338 -1.522 1.00 12.38 C ATOM 54 CD2 LEU A 5 -13.922 -2.579 -0.454 1.00 10.78 C ATOM 55 H LEU A 5 -10.579 -1.225 -1.258 1.00 0.00 H ATOM 56 N GLY A 6 -11.470 -4.176 -4.353 1.00 7.21 N ATOM 57 CA GLY A 6 -11.104 -4.575 -5.688 1.00 8.49 C ATOM 58 C GLY A 6 -10.748 -6.030 -5.758 1.00 6.56 C ATOM 59 O GLY A 6 -11.078 -6.824 -4.873 1.00 6.87 O ATOM 60 H GLY A 6 -12.156 -4.764 -3.838 1.00 0.00 H ATOM 61 N THR A 7 -10.078 -6.390 -6.864 1.00 7.25 N ATOM 62 CA THR A 7 -9.699 -7.739 -7.159 1.00 6.92 C ATOM 63 C THR A 7 -8.177 -7.859 -7.032 1.00 7.02 C ATOM 64 O THR A 7 -7.444 -7.061 -7.602 1.00 8.99 O ATOM 65 CB THR A 7 -10.128 -8.112 -8.596 1.00 8.61 C ATOM 66 OG1 THR A 7 -11.559 -7.994 -8.658 1.00 9.90 O ATOM 67 CG2 THR A 7 -9.759 -9.508 -8.990 1.00 9.25 C ATOM 68 HG1 THR A 7 -11.869 -8.227 -9.569 1.00 0.00 H ATOM 69 H THR A 7 -9.820 -5.648 -7.545 1.00 0.00 H ATOM 70 N TRP A 8 -7.762 -8.867 -6.294 1.00 6.80 N ATOM 71 CA TRP A 8 -6.361 -9.081 -5.891 1.00 7.13 C ATOM 72 C TRP A 8 -5.941 -10.479 -6.207 1.00 6.70 C ATOM 73 O TRP A 8 -6.714 -11.422 -6.025 1.00 8.12 O ATOM 74 CB TRP A 8 -6.281 -8.856 -4.364 1.00 7.32 C ATOM 75 CG TRP A 8 -6.656 -7.503 -3.881 1.00 7.10 C ATOM 76 CD1 TRP A 8 -7.898 -7.108 -3.446 1.00 8.09 C ATOM 77 CD2 TRP A 8 -5.803 -6.359 -3.738 1.00 7.60 C ATOM 78 NE1 TRP A 8 -7.866 -5.817 -3.057 1.00 8.88 N ATOM 79 CE2 TRP A 8 -6.569 -5.332 -3.196 1.00 8.47 C ATOM 80 CE3 TRP A 8 -4.440 -6.136 -3.973 1.00 8.38 C ATOM 81 CZ2 TRP A 8 -6.054 -4.087 -2.905 1.00 10.33 C ATOM 82 CZ3 TRP A 8 -3.906 -4.935 -3.703 1.00 9.73 C ATOM 83 CH2 TRP A 8 -4.671 -3.901 -3.183 1.00 11.17 C ATOM 84 HE1 TRP A 8 -8.680 -5.271 -2.709 1.00 0.00 H ATOM 85 H TRP A 8 -8.470 -9.558 -5.974 1.00 0.00 H ATOM 86 N LYS A 9 -4.686 -10.646 -6.656 1.00 6.59 N ATOM 87 CA LYS A 9 -4.170 -11.939 -7.037 1.00 7.28 C ATOM 88 C LYS A 9 -2.970 -12.302 -6.211 1.00 6.22 C ATOM 89 O LYS A 9 -2.080 -11.461 -6.018 1.00 6.99 O ATOM 90 CB LYS A 9 -3.750 -11.926 -8.516 1.00 10.84 C ATOM 91 CG LYS A 9 -4.640 -11.243 -9.486 1.00 36.12 C ATOM 92 CD LYS A 9 -5.874 -12.004 -9.516 1.00 35.34 C ATOM 93 CE LYS A 9 -5.921 -12.741 -10.836 1.00 65.18 C ATOM 94 NZ LYS A 9 -7.318 -13.109 -10.849 1.00 57.25 N ATOM 95 HZ1 LYS A 9 -7.527 -13.702 -10.020 1.00 0.00 H ATOM 96 HZ2 LYS A 9 -7.902 -12.249 -10.818 1.00 0.00 H ATOM 97 HZ3 LYS A 9 -7.527 -13.640 -11.718 1.00 0.00 H ATOM 98 H LYS A 9 -4.065 -9.815 -6.732 1.00 0.00 H ATOM 99 N LEU A 10 -2.852 -13.553 -5.746 1.00 6.46 N ATOM 100 CA LEU A 10 -1.703 -13.955 -4.934 1.00 6.19 C ATOM 101 C LEU A 10 -0.430 -13.960 -5.785 1.00 6.31 C ATOM 102 O LEU A 10 -0.384 -14.594 -6.827 1.00 7.99 O ATOM 103 CB LEU A 10 -1.926 -15.364 -4.391 1.00 6.44 C ATOM 104 CG LEU A 10 -0.828 -15.838 -3.428 1.00 6.27 C ATOM 105 CD1 LEU A 10 -0.962 -15.160 -2.074 1.00 7.30 C ATOM 106 CD2 LEU A 10 -0.852 -17.337 -3.263 1.00 7.42 C ATOM 107 H LEU A 10 -3.591 -14.251 -5.966 1.00 0.00 H ATOM 108 N VAL A 11 0.614 -13.307 -5.241 1.00 6.03 N ATOM 109 CA VAL A 11 1.914 -13.251 -5.939 1.00 6.84 C ATOM 110 C VAL A 11 3.084 -13.650 -5.045 1.00 6.34 C ATOM 111 O VAL A 11 4.214 -13.645 -5.552 1.00 7.68 O ATOM 112 CB VAL A 11 2.162 -11.861 -6.557 1.00 7.85 C ATOM 113 CG1 VAL A 11 1.107 -11.558 -7.622 1.00 9.28 C ATOM 114 CG2 VAL A 11 2.287 -10.776 -5.515 1.00 8.64 C ATOM 115 H VAL A 11 0.504 -12.837 -4.320 1.00 0.00 H ATOM 116 N ASP A 12 2.876 -13.975 -3.777 1.00 6.07 N ATOM 117 CA ASP A 12 3.957 -14.466 -2.913 1.00 5.93 C ATOM 118 C ASP A 12 3.317 -15.122 -1.721 1.00 5.68 C ATOM 119 O ASP A 12 2.269 -14.662 -1.236 1.00 6.34 O ATOM 120 CB ASP A 12 4.839 -13.304 -2.431 1.00 6.76 C ATOM 121 CG ASP A 12 6.099 -13.772 -1.715 1.00 7.23 C ATOM 122 OD1 ASP A 12 6.972 -14.311 -2.411 1.00 13.10 O ATOM 123 OD2 ASP A 12 6.181 -13.684 -0.489 1.00 7.91 O ATOM 124 H ASP A 12 1.919 -13.879 -3.382 1.00 0.00 H ATOM 125 N SER A 13 3.959 -16.163 -1.188 1.00 5.70 N ATOM 126 CA SER A 13 3.447 -16.785 0.022 1.00 5.49 C ATOM 127 C SER A 13 4.616 -17.362 0.833 1.00 5.18 C ATOM 128 O SER A 13 5.447 -18.094 0.324 1.00 6.11 O ATOM 129 CB SER A 13 2.491 -17.959 -0.378 1.00 6.06 C ATOM 130 OG SER A 13 1.892 -18.513 0.775 1.00 6.82 O ATOM 131 HG SER A 13 2.597 -18.859 1.378 1.00 0.00 H ATOM 132 H SER A 13 4.823 -16.528 -1.637 1.00 0.00 H ATOM 133 N LYS A 14 4.590 -17.022 2.129 1.00 5.10 N ATOM 134 CA LYS A 14 5.605 -17.468 3.078 1.00 5.21 C ATOM 135 C LYS A 14 4.914 -18.148 4.263 1.00 5.04 C ATOM 136 O LYS A 14 4.059 -17.541 4.914 1.00 5.82 O ATOM 137 CB LYS A 14 6.452 -16.282 3.572 1.00 5.80 C ATOM 138 CG LYS A 14 7.209 -15.597 2.458 1.00 6.77 C ATOM 139 CD LYS A 14 8.036 -14.435 2.980 1.00 8.48 C ATOM 140 CE LYS A 14 8.973 -13.887 1.913 1.00 9.84 C ATOM 141 NZ LYS A 14 8.316 -12.995 1.018 1.00 10.49 N ATOM 142 HZ1 LYS A 14 7.541 -13.496 0.538 1.00 0.00 H ATOM 143 HZ2 LYS A 14 7.932 -12.190 1.553 1.00 0.00 H ATOM 144 HZ3 LYS A 14 8.997 -12.650 0.312 1.00 0.00 H ATOM 145 H LYS A 14 3.817 -16.417 2.472 1.00 0.00 H ATOM 146 N ASN A 15 5.329 -19.370 4.547 1.00 5.02 N ATOM 147 CA ASN A 15 4.913 -20.101 5.733 1.00 5.37 C ATOM 148 C ASN A 15 3.419 -20.494 5.728 1.00 5.05 C ATOM 149 O ASN A 15 2.858 -20.802 6.791 1.00 5.79 O ATOM 150 CB ASN A 15 5.244 -19.411 7.030 1.00 6.06 C ATOM 151 CG ASN A 15 6.667 -19.213 7.303 1.00 6.65 C ATOM 152 OD1 ASN A 15 7.557 -19.783 6.666 1.00 7.02 O ATOM 153 ND2 ASN A 15 6.911 -18.381 8.323 1.00 11.01 N ATOM 154 HD22 ASN A 15 6.121 -17.928 8.825 1.00 0.00 H ATOM 155 HD21 ASN A 15 7.891 -18.188 8.614 1.00 0.00 H ATOM 156 H ASN A 15 5.987 -19.833 3.888 1.00 0.00 H ATOM 157 N PHE A 16 2.789 -20.568 4.562 1.00 5.26 N ATOM 158 CA PHE A 16 1.380 -20.997 4.552 1.00 5.41 C ATOM 159 C PHE A 16 1.253 -22.441 4.991 1.00 5.56 C ATOM 160 O PHE A 16 0.254 -22.784 5.655 1.00 5.73 O ATOM 161 CB PHE A 16 0.773 -20.746 3.173 1.00 5.58 C ATOM 162 CG PHE A 16 -0.738 -20.902 3.100 1.00 5.66 C ATOM 163 CD1 PHE A 16 -1.594 -20.362 4.055 1.00 6.33 C ATOM 164 CD2 PHE A 16 -1.280 -21.497 1.991 1.00 6.61 C ATOM 165 CE1 PHE A 16 -2.964 -20.429 3.896 1.00 6.77 C ATOM 166 CE2 PHE A 16 -2.679 -21.572 1.826 1.00 7.60 C ATOM 167 CZ PHE A 16 -3.495 -21.039 2.773 1.00 7.35 C ATOM 168 H PHE A 16 3.279 -20.329 3.676 1.00 0.00 H ATOM 169 N ASP A 17 2.199 -23.314 4.633 1.00 5.88 N ATOM 170 CA ASP A 17 2.089 -24.670 5.106 1.00 6.21 C ATOM 171 C ASP A 17 2.143 -24.730 6.629 1.00 6.22 C ATOM 172 O ASP A 17 1.363 -25.469 7.255 1.00 6.97 O ATOM 173 CB ASP A 17 3.198 -25.551 4.490 1.00 6.89 C ATOM 174 CG ASP A 17 3.037 -26.985 4.953 1.00 7.37 C ATOM 175 OD1 ASP A 17 2.104 -27.637 4.483 1.00 8.28 O ATOM 176 OD2 ASP A 17 3.844 -27.424 5.794 1.00 10.58 O ATOM 177 H ASP A 17 2.994 -23.022 4.029 1.00 0.00 H ATOM 178 N ASP A 18 3.035 -23.952 7.251 1.00 6.61 N ATOM 179 CA ASP A 18 3.102 -23.901 8.687 1.00 7.07 C ATOM 180 C ASP A 18 1.744 -23.502 9.301 1.00 6.41 C ATOM 181 O ASP A 18 1.293 -24.098 10.292 1.00 6.67 O ATOM 182 CB ASP A 18 4.143 -22.867 9.099 1.00 7.94 C ATOM 183 CG ASP A 18 5.530 -23.256 8.875 1.00 13.72 C ATOM 184 OD1 ASP A 18 5.864 -24.470 8.824 1.00 13.99 O ATOM 185 OD2 ASP A 18 6.428 -22.335 9.074 1.00 12.33 O ATOM 186 H ASP A 18 3.691 -23.374 6.687 1.00 0.00 H ATOM 187 N TYR A 19 1.137 -22.485 8.724 1.00 6.17 N ATOM 188 CA TYR A 19 -0.159 -21.993 9.211 1.00 6.13 C ATOM 189 C TYR A 19 -1.226 -23.056 9.079 1.00 5.85 C ATOM 190 O TYR A 19 -1.981 -23.351 10.023 1.00 6.42 O ATOM 191 CB TYR A 19 -0.483 -20.720 8.458 1.00 6.17 C ATOM 192 CG TYR A 19 -1.838 -20.141 8.852 1.00 5.43 C ATOM 193 CD1 TYR A 19 -1.998 -19.464 10.043 1.00 5.26 C ATOM 194 CD2 TYR A 19 -2.950 -20.291 8.014 1.00 5.73 C ATOM 195 CE1 TYR A 19 -3.229 -18.956 10.399 1.00 5.16 C ATOM 196 CE2 TYR A 19 -4.184 -19.773 8.379 1.00 5.74 C ATOM 197 CZ TYR A 19 -4.322 -19.102 9.578 1.00 5.23 C ATOM 198 OH TYR A 19 -5.565 -18.586 9.903 1.00 6.01 O ATOM 199 HH TYR A 19 -5.514 -18.136 10.783 1.00 0.00 H ATOM 200 H TYR A 19 1.584 -22.021 7.908 1.00 0.00 H ATOM 201 N MET A 20 -1.333 -23.663 7.888 1.00 6.15 N ATOM 202 CA MET A 20 -2.312 -24.706 7.675 1.00 6.34 C ATOM 203 C MET A 20 -2.100 -25.887 8.609 1.00 6.89 C ATOM 204 O MET A 20 -3.046 -26.458 9.152 1.00 7.46 O ATOM 205 CB MET A 20 -2.294 -25.176 6.228 1.00 6.76 C ATOM 206 CG MET A 20 -2.798 -24.159 5.230 1.00 6.88 C ATOM 207 SD MET A 20 -2.931 -24.857 3.543 1.00 7.05 S ATOM 208 CE MET A 20 -1.177 -24.945 3.113 1.00 7.40 C ATOM 209 H MET A 20 -0.705 -23.381 7.109 1.00 0.00 H ATOM 210 N LYS A 21 -0.842 -26.294 8.774 1.00 7.09 N ATOM 211 CA LYS A 21 -0.594 -27.431 9.645 1.00 7.93 C ATOM 212 C LYS A 21 -0.982 -27.107 11.076 1.00 7.49 C ATOM 213 O LYS A 21 -1.514 -27.955 11.811 1.00 8.92 O ATOM 214 CB LYS A 21 0.885 -27.803 9.478 1.00 7.86 C ATOM 215 CG LYS A 21 1.255 -29.068 10.139 1.00 9.94 C ATOM 216 CD LYS A 21 2.680 -29.435 9.933 1.00 13.04 C ATOM 217 CE LYS A 21 3.072 -30.679 10.760 1.00 18.53 C ATOM 218 NZ LYS A 21 4.436 -31.262 10.499 1.00 30.13 N ATOM 219 HZ1 LYS A 21 4.503 -31.552 9.502 1.00 0.00 H ATOM 220 HZ2 LYS A 21 5.162 -30.546 10.703 1.00 0.00 H ATOM 221 HZ3 LYS A 21 4.581 -32.089 11.112 1.00 0.00 H ATOM 222 H LYS A 21 -0.058 -25.810 8.292 1.00 0.00 H ATOM 223 N SER A 22 -0.744 -25.879 11.538 1.00 7.20 N ATOM 224 CA SER A 22 -1.128 -25.460 12.889 1.00 7.61 C ATOM 225 C SER A 22 -2.637 -25.599 13.087 1.00 7.88 C ATOM 226 O SER A 22 -3.113 -25.947 14.169 1.00 8.59 O ATOM 227 CB SER A 22 -0.638 -24.044 13.134 1.00 7.34 C ATOM 228 OG SER A 22 -0.831 -23.647 14.470 1.00 7.92 O ATOM 229 HG SER A 22 -0.332 -24.257 15.070 1.00 0.00 H ATOM 230 H SER A 22 -0.269 -25.194 10.917 1.00 0.00 H ATOM 231 N LEU A 23 -3.412 -25.281 12.042 1.00 8.26 N ATOM 232 CA LEU A 23 -4.867 -25.404 12.060 1.00 8.78 C ATOM 233 C LEU A 23 -5.307 -26.847 11.915 1.00 10.29 C ATOM 234 O LEU A 23 -6.547 -27.119 11.975 1.00 13.14 O ATOM 235 CB LEU A 23 -5.465 -24.579 10.935 1.00 7.80 C ATOM 236 CG LEU A 23 -5.368 -23.076 11.053 1.00 8.04 C ATOM 237 CD1 LEU A 23 -5.872 -22.465 9.767 1.00 8.60 C ATOM 238 CD2 LEU A 23 -6.170 -22.544 12.253 1.00 10.97 C ATOM 239 H LEU A 23 -2.956 -24.930 11.176 1.00 0.00 H ATOM 240 N GLY A 24 -4.438 -27.829 11.694 1.00 9.94 N ATOM 241 CA GLY A 24 -4.830 -29.207 11.537 1.00 11.43 C ATOM 242 C GLY A 24 -5.289 -29.587 10.126 1.00 10.37 C ATOM 243 O GLY A 24 -5.934 -30.621 9.955 1.00 12.62 O ATOM 244 H GLY A 24 -3.427 -27.591 11.631 1.00 0.00 H ATOM 245 N VAL A 25 -4.946 -28.794 9.120 1.00 9.23 N ATOM 246 CA VAL A 25 -5.272 -29.131 7.764 1.00 8.52 C ATOM 247 C VAL A 25 -4.448 -30.345 7.324 1.00 9.01 C ATOM 248 O VAL A 25 -3.243 -30.390 7.554 1.00 9.94 O ATOM 249 CB VAL A 25 -5.017 -27.919 6.837 1.00 8.21 C ATOM 250 CG1 VAL A 25 -5.299 -28.272 5.391 1.00 8.63 C ATOM 251 CG2 VAL A 25 -5.819 -26.714 7.293 1.00 9.20 C ATOM 252 H VAL A 25 -4.431 -27.912 9.317 1.00 0.00 H ATOM 253 N GLY A 26 -5.096 -31.304 6.684 1.00 9.95 N ATOM 254 CA GLY A 26 -4.423 -32.512 6.264 1.00 11.77 C ATOM 255 C GLY A 26 -3.422 -32.319 5.135 1.00 10.02 C ATOM 256 O GLY A 26 -3.511 -31.379 4.379 1.00 9.77 O ATOM 257 H GLY A 26 -6.109 -31.187 6.479 1.00 0.00 H ATOM 258 N PHE A 27 -2.488 -33.278 5.037 1.00 10.63 N ATOM 259 CA PHE A 27 -1.355 -33.095 4.138 1.00 10.61 C ATOM 260 C PHE A 27 -1.757 -32.923 2.689 1.00 9.55 C ATOM 261 O PHE A 27 -1.105 -32.182 1.982 1.00 10.02 O ATOM 262 CB PHE A 27 -0.317 -34.202 4.268 1.00 13.30 C ATOM 263 CG PHE A 27 -0.750 -35.497 3.597 1.00 14.73 C ATOM 264 CD1 PHE A 27 -1.605 -36.371 4.225 1.00 16.91 C ATOM 265 CD2 PHE A 27 -0.362 -35.829 2.322 1.00 17.58 C ATOM 266 CE1 PHE A 27 -2.100 -37.491 3.588 1.00 21.85 C ATOM 267 CE2 PHE A 27 -0.841 -36.931 1.656 1.00 23.84 C ATOM 268 CZ PHE A 27 -1.669 -37.834 2.293 1.00 26.58 C ATOM 269 H PHE A 27 -2.572 -34.148 5.600 1.00 0.00 H ATOM 270 N ALA A 28 -2.802 -33.618 2.244 1.00 10.98 N ATOM 271 CA ALA A 28 -3.168 -33.565 0.810 1.00 11.82 C ATOM 272 C ALA A 28 -3.743 -32.225 0.472 1.00 10.75 C ATOM 273 O ALA A 28 -3.515 -31.653 -0.594 1.00 11.39 O ATOM 274 CB ALA A 28 -4.163 -34.669 0.450 1.00 16.80 C ATOM 275 H ALA A 28 -3.361 -34.197 2.903 1.00 0.00 H ATOM 276 N THR A 29 -4.565 -31.685 1.398 1.00 10.36 N ATOM 277 CA THR A 29 -5.073 -30.332 1.201 1.00 9.95 C ATOM 278 C THR A 29 -3.957 -29.310 1.233 1.00 8.73 C ATOM 279 O THR A 29 -3.939 -28.385 0.431 1.00 9.35 O ATOM 280 CB THR A 29 -6.160 -30.051 2.279 1.00 10.48 C ATOM 281 OG1 THR A 29 -7.248 -30.920 2.054 1.00 14.41 O ATOM 282 CG2 THR A 29 -6.650 -28.634 2.237 1.00 11.56 C ATOM 283 HG1 THR A 29 -6.939 -31.858 2.121 1.00 0.00 H ATOM 284 H THR A 29 -4.833 -32.229 2.243 1.00 0.00 H ATOM 285 N ARG A 30 -3.005 -29.469 2.161 1.00 8.53 N ATOM 286 CA ARG A 30 -1.879 -28.542 2.183 1.00 8.06 C ATOM 287 C ARG A 30 -1.104 -28.568 0.871 1.00 8.02 C ATOM 288 O ARG A 30 -0.667 -27.557 0.351 1.00 8.32 O ATOM 289 CB ARG A 30 -0.939 -28.777 3.356 1.00 8.01 C ATOM 290 CG ARG A 30 -1.639 -28.726 4.719 1.00 7.87 C ATOM 291 CD ARG A 30 -0.664 -28.492 5.854 1.00 7.84 C ATOM 292 NE ARG A 30 0.482 -29.387 5.871 1.00 7.84 N ATOM 293 CZ ARG A 30 0.495 -30.582 6.408 1.00 8.37 C ATOM 294 NH1 ARG A 30 -0.576 -31.121 6.958 1.00 10.99 N ATOM 295 NH2 ARG A 30 1.594 -31.293 6.364 1.00 12.36 N ATOM 296 HE ARG A 30 1.359 -29.053 5.422 1.00 0.00 H ATOM 297 HH12 ARG A 30 -0.524 -32.073 7.374 1.00 0.00 H ATOM 298 HH11 ARG A 30 -1.472 -30.594 6.976 1.00 0.00 H ATOM 299 HH22 ARG A 30 1.616 -32.243 6.787 1.00 0.00 H ATOM 300 HH21 ARG A 30 2.445 -30.908 5.906 1.00 0.00 H ATOM 301 H ARG A 30 -3.067 -30.241 2.855 1.00 0.00 H ATOM 302 N GLN A 31 -0.906 -29.771 0.340 1.00 8.64 N ATOM 303 CA GLN A 31 -0.163 -29.952 -0.894 1.00 9.14 C ATOM 304 C GLN A 31 -0.801 -29.119 -2.001 1.00 8.88 C ATOM 305 O GLN A 31 -0.162 -28.326 -2.700 1.00 9.64 O ATOM 306 CB GLN A 31 -0.103 -31.421 -1.249 1.00 12.23 C ATOM 307 CG GLN A 31 0.873 -31.767 -2.285 1.00 13.61 C ATOM 308 CD GLN A 31 0.684 -33.198 -2.609 1.00 17.46 C ATOM 309 OE1 GLN A 31 0.161 -33.531 -3.625 1.00 23.14 O ATOM 310 NE2 GLN A 31 0.921 -34.113 -1.527 1.00 18.36 N ATOM 311 HE22 GLN A 31 1.381 -33.780 -0.656 1.00 0.00 H ATOM 312 HE21 GLN A 31 0.632 -35.108 -1.615 1.00 0.00 H ATOM 313 H GLN A 31 -1.295 -30.606 0.823 1.00 0.00 H ATOM 314 N VAL A 32 -2.121 -29.324 -2.211 1.00 8.82 N ATOM 315 CA VAL A 32 -2.791 -28.585 -3.280 1.00 9.27 C ATOM 316 C VAL A 32 -2.789 -27.097 -3.011 1.00 8.37 C ATOM 317 O VAL A 32 -2.499 -26.255 -3.883 1.00 9.15 O ATOM 318 CB VAL A 32 -4.214 -29.116 -3.509 1.00 10.67 C ATOM 319 CG1 VAL A 32 -4.902 -28.306 -4.578 1.00 12.22 C ATOM 320 CG2 VAL A 32 -4.220 -30.596 -3.870 1.00 13.27 C ATOM 321 H VAL A 32 -2.651 -29.997 -1.621 1.00 0.00 H ATOM 322 N ALA A 33 -3.085 -26.727 -1.761 1.00 8.06 N ATOM 323 CA ALA A 33 -3.109 -25.311 -1.388 1.00 8.17 C ATOM 324 C ALA A 33 -1.800 -24.614 -1.630 1.00 7.84 C ATOM 325 O ALA A 33 -1.757 -23.416 -1.988 1.00 9.47 O ATOM 326 CB ALA A 33 -3.525 -25.173 0.057 1.00 8.93 C ATOM 327 H ALA A 33 -3.300 -27.452 -1.047 1.00 0.00 H ATOM 328 N SER A 34 -0.673 -25.322 -1.453 1.00 7.71 N ATOM 329 CA SER A 34 0.649 -24.717 -1.626 1.00 8.15 C ATOM 330 C SER A 34 0.930 -24.339 -3.055 1.00 7.63 C ATOM 331 O SER A 34 1.875 -23.559 -3.305 1.00 9.16 O ATOM 332 CB SER A 34 1.734 -25.637 -1.122 1.00 8.70 C ATOM 333 OG SER A 34 1.926 -26.734 -1.964 1.00 8.96 O ATOM 334 HG SER A 34 1.085 -27.253 -2.025 1.00 0.00 H ATOM 335 H SER A 34 -0.741 -26.325 -1.186 1.00 0.00 H ATOM 336 N MET A 35 0.169 -24.872 -4.015 1.00 7.91 N ATOM 337 CA MET A 35 0.333 -24.590 -5.439 1.00 8.17 C ATOM 338 C MET A 35 -0.849 -23.800 -6.020 1.00 8.86 C ATOM 339 O MET A 35 -0.905 -23.600 -7.199 1.00 13.75 O ATOM 340 CB MET A 35 0.532 -25.862 -6.212 1.00 9.61 C ATOM 341 CG MET A 35 1.819 -26.562 -5.889 1.00 10.27 C ATOM 342 SD MET A 35 3.295 -25.634 -6.349 1.00 9.13 S ATOM 343 CE MET A 35 3.261 -25.841 -8.132 1.00 11.20 C ATOM 344 H MET A 35 -0.587 -25.528 -3.731 1.00 0.00 H ATOM 345 N THR A 36 -1.755 -23.351 -5.170 1.00 8.18 N ATOM 346 CA THR A 36 -2.912 -22.570 -5.629 1.00 8.62 C ATOM 347 C THR A 36 -2.618 -21.091 -5.466 1.00 7.93 C ATOM 348 O THR A 36 -2.007 -20.660 -4.471 1.00 10.08 O ATOM 349 CB THR A 36 -4.094 -23.048 -4.780 1.00 11.08 C ATOM 350 OG1 THR A 36 -4.288 -24.495 -4.976 1.00 12.73 O ATOM 351 CG2 THR A 36 -5.348 -22.385 -5.153 1.00 13.01 C ATOM 352 HG1 THR A 36 -3.468 -24.977 -4.701 1.00 0.00 H ATOM 353 H THR A 36 -1.647 -23.554 -4.156 1.00 0.00 H ATOM 354 N LYS A 37 -3.113 -20.279 -6.384 1.00 8.40 N ATOM 355 CA LYS A 37 -2.978 -18.819 -6.311 1.00 8.43 C ATOM 356 C LYS A 37 -4.382 -18.223 -6.328 1.00 8.31 C ATOM 357 O LYS A 37 -4.933 -17.969 -7.394 1.00 11.19 O ATOM 358 CB LYS A 37 -2.130 -18.273 -7.452 1.00 9.58 C ATOM 359 CG LYS A 37 -0.742 -18.824 -7.444 1.00 10.08 C ATOM 360 CD LYS A 37 0.119 -18.221 -8.500 1.00 10.75 C ATOM 361 CE LYS A 37 1.506 -18.863 -8.557 1.00 11.71 C ATOM 362 NZ LYS A 37 2.341 -18.265 -9.572 1.00 10.21 N ATOM 363 HZ1 LYS A 37 1.891 -18.382 -10.502 1.00 0.00 H ATOM 364 HZ2 LYS A 37 2.461 -17.252 -9.368 1.00 0.00 H ATOM 365 HZ3 LYS A 37 3.270 -18.732 -9.574 1.00 0.00 H ATOM 366 H LYS A 37 -3.620 -20.692 -7.193 1.00 0.00 H ATOM 367 N PRO A 38 -4.965 -17.967 -5.188 1.00 7.12 N ATOM 368 CA PRO A 38 -6.328 -17.449 -5.180 1.00 7.35 C ATOM 369 C PRO A 38 -6.394 -16.019 -5.689 1.00 6.73 C ATOM 370 O PRO A 38 -5.442 -15.254 -5.690 1.00 7.66 O ATOM 371 CB PRO A 38 -6.710 -17.487 -3.682 1.00 7.95 C ATOM 372 CG PRO A 38 -5.768 -18.496 -3.059 1.00 9.05 C ATOM 373 CD PRO A 38 -4.484 -18.272 -3.832 1.00 8.27 C ATOM 374 N THR A 39 -7.632 -15.686 -6.065 1.00 6.54 N ATOM 375 CA THR A 39 -8.072 -14.329 -6.309 1.00 7.08 C ATOM 376 C THR A 39 -8.969 -13.924 -5.168 1.00 6.60 C ATOM 377 O THR A 39 -9.924 -14.637 -4.859 1.00 8.29 O ATOM 378 CB THR A 39 -8.821 -14.262 -7.641 1.00 8.52 C ATOM 379 OG1 THR A 39 -7.913 -14.601 -8.697 1.00 10.51 O ATOM 380 CG2 THR A 39 -9.363 -12.890 -7.919 1.00 10.28 C ATOM 381 HG1 THR A 39 -7.566 -15.517 -8.551 1.00 0.00 H ATOM 382 H THR A 39 -8.325 -16.452 -6.191 1.00 0.00 H ATOM 383 N THR A 40 -8.690 -12.775 -4.552 1.00 6.25 N ATOM 384 CA THR A 40 -9.545 -12.253 -3.489 1.00 6.57 C ATOM 385 C THR A 40 -10.221 -10.998 -4.016 1.00 5.85 C ATOM 386 O THR A 40 -9.577 -10.116 -4.564 1.00 7.36 O ATOM 387 CB THR A 40 -8.696 -11.930 -2.252 1.00 8.22 C ATOM 388 OG1 THR A 40 -8.027 -13.088 -1.798 1.00 10.79 O ATOM 389 CG2 THR A 40 -9.520 -11.298 -1.152 1.00 8.70 C ATOM 390 HG1 THR A 40 -7.485 -12.863 -1.001 1.00 0.00 H ATOM 391 H THR A 40 -7.845 -12.239 -4.835 1.00 0.00 H ATOM 392 N ILE A 41 -11.544 -10.956 -3.867 1.00 5.92 N ATOM 393 CA ILE A 41 -12.356 -9.831 -4.313 1.00 6.20 C ATOM 394 C ILE A 41 -13.002 -9.224 -3.072 1.00 6.10 C ATOM 395 O ILE A 41 -13.684 -9.936 -2.332 1.00 7.29 O ATOM 396 CB ILE A 41 -13.423 -10.251 -5.331 1.00 7.62 C ATOM 397 CG1 ILE A 41 -12.800 -10.999 -6.499 1.00 9.96 C ATOM 398 CG2 ILE A 41 -14.200 -9.028 -5.812 1.00 10.57 C ATOM 399 CD1 ILE A 41 -13.804 -11.730 -7.355 1.00 15.20 C ATOM 400 H ILE A 41 -12.019 -11.762 -3.412 1.00 0.00 H ATOM 401 N ILE A 42 -12.778 -7.937 -2.858 1.00 6.24 N ATOM 402 CA ILE A 42 -13.351 -7.233 -1.710 1.00 6.50 C ATOM 403 C ILE A 42 -14.244 -6.145 -2.260 1.00 6.41 C ATOM 404 O ILE A 42 -13.796 -5.291 -3.047 1.00 6.88 O ATOM 405 CB ILE A 42 -12.265 -6.680 -0.770 1.00 7.45 C ATOM 406 CG1 ILE A 42 -11.216 -7.751 -0.470 1.00 8.48 C ATOM 407 CG2 ILE A 42 -12.917 -6.137 0.471 1.00 9.92 C ATOM 408 CD1 ILE A 42 -10.105 -7.282 0.465 1.00 9.42 C ATOM 409 H ILE A 42 -12.178 -7.411 -3.525 1.00 0.00 H ATOM 410 N GLU A 43 -15.519 -6.167 -1.872 1.00 7.02 N ATOM 411 CA GLU A 43 -16.517 -5.220 -2.363 1.00 7.18 C ATOM 412 C GLU A 43 -17.282 -4.674 -1.185 1.00 6.10 C ATOM 413 O GLU A 43 -17.373 -5.316 -0.135 1.00 7.67 O ATOM 414 CB GLU A 43 -17.486 -5.883 -3.352 1.00 12.09 C ATOM 415 CG GLU A 43 -16.829 -6.237 -4.694 1.00 15.59 C ATOM 416 CD GLU A 43 -17.580 -7.123 -5.587 1.00 42.77 C ATOM 417 OE1 GLU A 43 -17.734 -8.294 -5.261 1.00 42.98 O ATOM 418 OE2 GLU A 43 -17.924 -6.576 -6.664 1.00 46.39 O ATOM 419 H GLU A 43 -15.817 -6.892 -1.188 1.00 0.00 H ATOM 420 N LYS A 44 -17.856 -3.485 -1.369 1.00 6.87 N ATOM 421 CA LYS A 44 -18.699 -2.883 -0.340 1.00 7.73 C ATOM 422 C LYS A 44 -19.995 -2.439 -0.952 1.00 7.26 C ATOM 423 O LYS A 44 -20.042 -2.006 -2.103 1.00 8.09 O ATOM 424 CB LYS A 44 -18.100 -1.720 0.394 1.00 14.60 C ATOM 425 CG LYS A 44 -18.194 -0.407 -0.188 1.00 14.32 C ATOM 426 CD LYS A 44 -17.550 0.720 0.604 1.00 12.60 C ATOM 427 CE LYS A 44 -17.812 2.015 -0.132 1.00 15.86 C ATOM 428 NZ LYS A 44 -17.279 3.137 0.649 1.00 15.87 N ATOM 429 HZ1 LYS A 44 -17.746 3.164 1.578 1.00 0.00 H ATOM 430 HZ2 LYS A 44 -16.255 3.012 0.779 1.00 0.00 H ATOM 431 HZ3 LYS A 44 -17.459 4.027 0.142 1.00 0.00 H ATOM 432 H LYS A 44 -17.700 -2.976 -2.263 1.00 0.00 H ATOM 433 N ASN A 45 -21.046 -2.503 -0.125 1.00 8.27 N ATOM 434 CA ASN A 45 -22.357 -1.932 -0.454 1.00 8.74 C ATOM 435 C ASN A 45 -22.835 -1.286 0.853 1.00 9.13 C ATOM 436 O ASN A 45 -23.229 -1.999 1.772 1.00 9.54 O ATOM 437 CB ASN A 45 -23.299 -2.998 -0.946 1.00 9.40 C ATOM 438 CG ASN A 45 -24.689 -2.492 -1.388 1.00 9.86 C ATOM 439 OD1 ASN A 45 -25.443 -3.292 -2.013 1.00 11.49 O ATOM 440 ND2 ASN A 45 -24.996 -1.297 -1.070 1.00 12.00 N ATOM 441 HD22 ASN A 45 -24.314 -0.705 -0.554 1.00 0.00 H ATOM 442 HD21 ASN A 45 -25.928 -0.914 -1.326 1.00 0.00 H ATOM 443 H ASN A 45 -20.928 -2.979 0.792 1.00 0.00 H ATOM 444 N GLY A 46 -22.700 0.021 0.904 1.00 11.14 N ATOM 445 CA GLY A 46 -22.973 0.681 2.151 1.00 11.78 C ATOM 446 C GLY A 46 -22.018 0.181 3.203 1.00 13.04 C ATOM 447 O GLY A 46 -20.819 0.013 2.988 1.00 15.68 O ATOM 448 H GLY A 46 -22.404 0.561 0.066 1.00 0.00 H ATOM 449 N ASP A 47 -22.625 -0.231 4.348 1.00 10.56 N ATOM 450 CA ASP A 47 -21.961 -0.742 5.535 1.00 9.93 C ATOM 451 C ASP A 47 -21.651 -2.223 5.440 1.00 9.46 C ATOM 452 O ASP A 47 -21.155 -2.832 6.356 1.00 13.55 O ATOM 453 CB ASP A 47 -22.685 -0.538 6.878 1.00 11.62 C ATOM 454 CG ASP A 47 -23.016 0.917 7.130 1.00 17.02 C ATOM 455 OD1 ASP A 47 -22.342 1.774 6.550 1.00 21.48 O ATOM 456 OD2 ASP A 47 -23.984 1.204 7.875 1.00 30.87 O ATOM 457 H ASP A 47 -23.663 -0.175 4.377 1.00 0.00 H ATOM 458 N ILE A 48 -21.846 -2.873 4.340 1.00 10.57 N ATOM 459 CA ILE A 48 -21.626 -4.314 4.259 1.00 8.75 C ATOM 460 C ILE A 48 -20.491 -4.608 3.283 1.00 7.31 C ATOM 461 O ILE A 48 -20.523 -4.200 2.123 1.00 7.74 O ATOM 462 CB ILE A 48 -22.866 -5.004 3.792 1.00 8.95 C ATOM 463 CG1 ILE A 48 -24.006 -4.641 4.770 1.00 11.85 C ATOM 464 CG2 ILE A 48 -22.658 -6.500 3.687 1.00 8.35 C ATOM 465 CD1 ILE A 48 -23.815 -4.971 6.177 1.00 15.39 C ATOM 466 H ILE A 48 -22.166 -2.359 3.495 1.00 0.00 H ATOM 467 N LEU A 49 -19.512 -5.335 3.793 1.00 6.82 N ATOM 468 CA LEU A 49 -18.419 -5.832 2.972 1.00 5.92 C ATOM 469 C LEU A 49 -18.644 -7.277 2.589 1.00 5.69 C ATOM 470 O LEU A 49 -19.142 -8.074 3.368 1.00 7.08 O ATOM 471 CB LEU A 49 -17.110 -5.691 3.732 1.00 7.43 C ATOM 472 CG LEU A 49 -16.609 -4.257 3.929 1.00 8.73 C ATOM 473 CD1 LEU A 49 -15.619 -4.085 5.018 1.00 12.61 C ATOM 474 CD2 LEU A 49 -16.009 -3.727 2.619 1.00 11.63 C ATOM 475 H LEU A 49 -19.524 -5.558 4.809 1.00 0.00 H ATOM 476 N THR A 50 -18.212 -7.605 1.370 1.00 5.59 N ATOM 477 CA THR A 50 -18.201 -8.974 0.912 1.00 5.59 C ATOM 478 C THR A 50 -16.788 -9.305 0.453 1.00 6.00 C ATOM 479 O THR A 50 -16.200 -8.552 -0.326 1.00 8.16 O ATOM 480 CB THR A 50 -19.219 -9.193 -0.209 1.00 6.24 C ATOM 481 OG1 THR A 50 -20.538 -8.916 0.310 1.00 6.75 O ATOM 482 CG2 THR A 50 -19.186 -10.604 -0.734 1.00 7.50 C ATOM 483 HG1 THR A 50 -20.729 -9.527 1.065 1.00 0.00 H ATOM 484 H THR A 50 -17.874 -6.855 0.733 1.00 0.00 H ATOM 485 N LEU A 51 -16.267 -10.409 0.956 1.00 5.45 N ATOM 486 CA LEU A 51 -14.898 -10.864 0.655 1.00 5.29 C ATOM 487 C LEU A 51 -15.003 -12.253 0.066 1.00 5.10 C ATOM 488 O LEU A 51 -15.401 -13.202 0.745 1.00 5.41 O ATOM 489 CB LEU A 51 -14.027 -10.762 1.898 1.00 6.05 C ATOM 490 CG LEU A 51 -12.520 -10.935 1.683 1.00 7.23 C ATOM 491 CD1 LEU A 51 -11.732 -10.256 2.765 1.00 9.53 C ATOM 492 CD2 LEU A 51 -12.129 -12.375 1.580 1.00 7.33 C ATOM 493 H LEU A 51 -16.851 -10.985 1.595 1.00 0.00 H ATOM 494 N LYS A 52 -14.673 -12.394 -1.226 1.00 5.14 N ATOM 495 CA LYS A 52 -14.659 -13.635 -1.952 1.00 5.22 C ATOM 496 C LYS A 52 -13.210 -14.094 -2.168 1.00 5.74 C ATOM 497 O LYS A 52 -12.355 -13.297 -2.569 1.00 5.59 O ATOM 498 CB LYS A 52 -15.233 -13.555 -3.390 1.00 6.33 C ATOM 499 CG LYS A 52 -16.615 -12.883 -3.462 1.00 5.42 C ATOM 500 CD LYS A 52 -17.078 -12.702 -4.907 1.00 5.24 C ATOM 501 CE LYS A 52 -18.540 -12.212 -4.966 1.00 4.64 C ATOM 502 NZ LYS A 52 -18.988 -12.120 -6.395 1.00 6.84 N ATOM 503 HZ1 LYS A 52 -18.379 -11.449 -6.905 1.00 0.00 H ATOM 504 HZ2 LYS A 52 -18.921 -13.058 -6.839 1.00 0.00 H ATOM 505 HZ3 LYS A 52 -19.974 -11.789 -6.427 1.00 0.00 H ATOM 506 H LYS A 52 -14.405 -11.534 -1.746 1.00 0.00 H ATOM 507 N THR A 53 -13.019 -15.376 -1.957 1.00 5.57 N ATOM 508 CA THR A 53 -11.712 -15.987 -2.243 1.00 5.99 C ATOM 509 C THR A 53 -11.986 -17.116 -3.244 1.00 6.38 C ATOM 510 O THR A 53 -12.723 -18.032 -2.938 1.00 7.57 O ATOM 511 CB THR A 53 -11.034 -16.504 -0.974 1.00 6.71 C ATOM 512 OG1 THR A 53 -11.022 -15.472 0.038 1.00 7.50 O ATOM 513 CG2 THR A 53 -9.621 -16.943 -1.240 1.00 8.62 C ATOM 514 HG1 THR A 53 -10.581 -15.817 0.854 1.00 0.00 H ATOM 515 H THR A 53 -13.795 -15.961 -1.586 1.00 0.00 H ATOM 516 N HIS A 54 -11.421 -16.974 -4.446 1.00 6.48 N ATOM 517 CA HIS A 54 -11.693 -17.892 -5.526 1.00 6.80 C ATOM 518 C HIS A 54 -10.422 -18.599 -5.953 1.00 7.20 C ATOM 519 O HIS A 54 -9.344 -17.991 -6.017 1.00 7.88 O ATOM 520 CB HIS A 54 -12.212 -17.121 -6.759 1.00 7.50 C ATOM 521 CG HIS A 54 -13.563 -16.548 -6.572 1.00 7.61 C ATOM 522 ND1 HIS A 54 -14.097 -15.660 -7.474 1.00 9.30 N ATOM 523 CD2 HIS A 54 -14.490 -16.788 -5.611 1.00 7.99 C ATOM 524 CE1 HIS A 54 -15.306 -15.351 -7.043 1.00 8.75 C ATOM 525 NE2 HIS A 54 -15.592 -16.033 -5.922 1.00 9.21 N ATOM 526 H HIS A 54 -10.768 -16.181 -4.608 1.00 0.00 H ATOM 527 N SER A 55 -10.535 -19.873 -6.241 1.00 7.92 N ATOM 528 CA SER A 55 -9.368 -20.607 -6.739 1.00 8.53 C ATOM 529 C SER A 55 -9.805 -21.830 -7.466 1.00 8.50 C ATOM 530 O SER A 55 -10.977 -22.186 -7.504 1.00 9.32 O ATOM 531 CB SER A 55 -8.425 -20.968 -5.609 1.00 9.07 C ATOM 532 OG SER A 55 -8.899 -22.095 -4.875 1.00 9.32 O ATOM 533 HG SER A 55 -9.787 -21.887 -4.489 1.00 0.00 H ATOM 534 H SER A 55 -11.446 -20.359 -6.117 1.00 0.00 H ATOM 535 N THR A 56 -8.821 -22.543 -8.022 1.00 9.40 N ATOM 536 CA THR A 56 -9.032 -23.835 -8.626 1.00 10.33 C ATOM 537 C THR A 56 -9.298 -24.936 -7.620 1.00 10.59 C ATOM 538 O THR A 56 -9.573 -26.057 -8.041 1.00 14.33 O ATOM 539 CB THR A 56 -7.818 -24.213 -9.509 1.00 11.35 C ATOM 540 OG1 THR A 56 -6.639 -24.092 -8.725 1.00 15.08 O ATOM 541 CG2 THR A 56 -7.756 -23.364 -10.699 1.00 13.55 C ATOM 542 HG1 THR A 56 -6.697 -24.703 -7.948 1.00 0.00 H ATOM 543 H THR A 56 -7.859 -22.148 -8.019 1.00 0.00 H ATOM 544 N PHE A 57 -9.152 -24.680 -6.332 1.00 10.23 N ATOM 545 CA PHE A 57 -9.282 -25.682 -5.291 1.00 10.66 C ATOM 546 C PHE A 57 -10.459 -25.431 -4.437 1.00 11.07 C ATOM 547 O PHE A 57 -11.390 -26.230 -4.440 1.00 17.32 O ATOM 548 CB PHE A 57 -7.961 -25.736 -4.482 1.00 11.41 C ATOM 549 CG PHE A 57 -7.922 -26.746 -3.403 1.00 10.95 C ATOM 550 CD1 PHE A 57 -8.630 -27.933 -3.472 1.00 15.33 C ATOM 551 CD2 PHE A 57 -7.104 -26.559 -2.302 1.00 12.80 C ATOM 552 CE1 PHE A 57 -8.514 -28.885 -2.472 1.00 15.87 C ATOM 553 CE2 PHE A 57 -7.006 -27.523 -1.317 1.00 13.18 C ATOM 554 CZ PHE A 57 -7.719 -28.662 -1.371 1.00 14.46 C ATOM 555 H PHE A 57 -8.931 -23.704 -6.048 1.00 0.00 H ATOM 556 N LYS A 58 -10.432 -24.399 -3.603 1.00 13.72 N ATOM 557 CA LYS A 58 -11.585 -24.033 -2.747 1.00 14.12 C ATOM 558 C LYS A 58 -12.021 -22.620 -3.085 1.00 9.78 C ATOM 559 O LYS A 58 -11.220 -21.779 -3.485 1.00 9.82 O ATOM 560 CB LYS A 58 -11.144 -24.091 -1.245 1.00 17.19 C ATOM 561 CG LYS A 58 -10.520 -25.252 -0.665 1.00 20.38 C ATOM 562 CD LYS A 58 -11.482 -26.284 -0.307 1.00 25.77 C ATOM 563 CE LYS A 58 -10.822 -27.319 0.580 1.00 32.96 C ATOM 564 NZ LYS A 58 -11.713 -28.490 0.407 1.00 37.35 N ATOM 565 HZ1 LYS A 58 -12.674 -28.242 0.717 1.00 0.00 H ATOM 566 HZ2 LYS A 58 -11.731 -28.765 -0.596 1.00 0.00 H ATOM 567 HZ3 LYS A 58 -11.357 -29.282 0.979 1.00 0.00 H ATOM 568 H LYS A 58 -9.567 -23.824 -3.548 1.00 0.00 H ATOM 569 N ASN A 59 -13.318 -22.353 -2.870 1.00 9.69 N ATOM 570 CA ASN A 59 -13.880 -21.028 -2.965 1.00 7.37 C ATOM 571 C ASN A 59 -14.600 -20.710 -1.648 1.00 6.51 C ATOM 572 O ASN A 59 -15.244 -21.619 -1.094 1.00 7.94 O ATOM 573 CB ASN A 59 -14.925 -20.942 -4.092 1.00 9.29 C ATOM 574 CG ASN A 59 -14.319 -21.165 -5.446 1.00 11.23 C ATOM 575 OD1 ASN A 59 -13.440 -20.469 -5.900 1.00 8.27 O ATOM 576 ND2 ASN A 59 -14.979 -22.074 -6.177 1.00 16.95 N ATOM 577 HD22 ASN A 59 -15.728 -22.649 -5.740 1.00 0.00 H ATOM 578 HD21 ASN A 59 -14.743 -22.205 -7.181 1.00 0.00 H ATOM 579 H ASN A 59 -13.950 -23.141 -2.622 1.00 0.00 H ATOM 580 N THR A 60 -14.515 -19.467 -1.208 1.00 5.58 N ATOM 581 CA THR A 60 -15.270 -19.003 -0.063 1.00 5.44 C ATOM 582 C THR A 60 -15.845 -17.648 -0.388 1.00 5.12 C ATOM 583 O THR A 60 -15.368 -16.876 -1.204 1.00 5.62 O ATOM 584 CB THR A 60 -14.407 -18.934 1.213 1.00 5.70 C ATOM 585 OG1 THR A 60 -13.280 -18.076 1.008 1.00 6.07 O ATOM 586 CG2 THR A 60 -13.911 -20.293 1.649 1.00 7.01 C ATOM 587 HG1 THR A 60 -13.597 -17.165 0.783 1.00 0.00 H ATOM 588 H THR A 60 -13.886 -18.801 -1.700 1.00 0.00 H ATOM 589 N GLU A 61 -16.877 -17.263 0.484 1.00 4.85 N ATOM 590 CA GLU A 61 -17.418 -15.921 0.418 1.00 4.80 C ATOM 591 C GLU A 61 -17.973 -15.633 1.807 1.00 4.94 C ATOM 592 O GLU A 61 -18.695 -16.458 2.369 1.00 5.88 O ATOM 593 CB GLU A 61 -18.514 -15.756 -0.632 1.00 4.99 C ATOM 594 CG GLU A 61 -19.089 -14.363 -0.649 1.00 5.56 C ATOM 595 CD GLU A 61 -20.083 -14.133 -1.781 1.00 5.18 C ATOM 596 OE1 GLU A 61 -19.803 -14.547 -2.911 1.00 5.76 O ATOM 597 OE2 GLU A 61 -21.148 -13.518 -1.501 1.00 5.73 O ATOM 598 H GLU A 61 -17.253 -17.942 1.177 1.00 0.00 H ATOM 599 N ILE A 62 -17.650 -14.446 2.318 1.00 4.88 N ATOM 600 CA ILE A 62 -18.233 -13.942 3.545 1.00 5.02 C ATOM 601 C ILE A 62 -18.766 -12.540 3.323 1.00 5.02 C ATOM 602 O ILE A 62 -18.206 -11.767 2.540 1.00 5.75 O ATOM 603 CB ILE A 62 -17.209 -13.968 4.729 1.00 5.45 C ATOM 604 CG1 ILE A 62 -15.987 -13.065 4.442 1.00 5.57 C ATOM 605 CG2 ILE A 62 -16.803 -15.395 5.008 1.00 6.30 C ATOM 606 CD1 ILE A 62 -15.010 -12.968 5.601 1.00 6.47 C ATOM 607 H ILE A 62 -16.953 -13.859 1.817 1.00 0.00 H ATOM 608 N SER A 63 -19.852 -12.191 4.032 1.00 5.29 N ATOM 609 CA SER A 63 -20.335 -10.847 4.093 1.00 5.45 C ATOM 610 C SER A 63 -20.468 -10.435 5.563 1.00 5.49 C ATOM 611 O SER A 63 -20.861 -11.250 6.404 1.00 6.48 O ATOM 612 CB SER A 63 -21.700 -10.628 3.414 1.00 6.86 C ATOM 613 OG SER A 63 -21.619 -10.815 2.022 1.00 7.79 O ATOM 614 HG SER A 63 -20.972 -10.170 1.641 1.00 0.00 H ATOM 615 H SER A 63 -20.362 -12.929 4.558 1.00 0.00 H ATOM 616 N PHE A 64 -20.132 -9.187 5.846 1.00 5.69 N ATOM 617 CA PHE A 64 -20.107 -8.734 7.229 1.00 6.08 C ATOM 618 C PHE A 64 -20.192 -7.227 7.272 1.00 5.87 C ATOM 619 O PHE A 64 -19.840 -6.529 6.332 1.00 6.67 O ATOM 620 CB PHE A 64 -18.814 -9.210 7.941 1.00 5.99 C ATOM 621 CG PHE A 64 -17.551 -8.832 7.211 1.00 5.77 C ATOM 622 CD1 PHE A 64 -16.928 -7.631 7.467 1.00 6.27 C ATOM 623 CD2 PHE A 64 -17.004 -9.665 6.246 1.00 6.32 C ATOM 624 CE1 PHE A 64 -15.792 -7.272 6.781 1.00 6.69 C ATOM 625 CE2 PHE A 64 -15.848 -9.312 5.569 1.00 6.97 C ATOM 626 CZ PHE A 64 -15.251 -8.117 5.833 1.00 6.91 C ATOM 627 H PHE A 64 -19.885 -8.529 5.079 1.00 0.00 H ATOM 628 N LYS A 65 -20.629 -6.684 8.423 1.00 7.11 N ATOM 629 CA LYS A 65 -20.383 -5.261 8.789 1.00 7.85 C ATOM 630 C LYS A 65 -19.181 -5.197 9.665 1.00 8.06 C ATOM 631 O LYS A 65 -19.023 -6.037 10.567 1.00 6.89 O ATOM 632 CB LYS A 65 -21.521 -4.623 9.617 1.00 8.61 C ATOM 633 CG LYS A 65 -22.680 -4.362 8.710 1.00 11.26 C ATOM 634 CD LYS A 65 -23.854 -3.693 9.464 1.00 12.23 C ATOM 635 CE LYS A 65 -25.046 -3.500 8.564 1.00 12.63 C ATOM 636 NZ LYS A 65 -26.157 -2.961 9.371 1.00 12.69 N ATOM 637 HZ1 LYS A 65 -26.389 -3.632 10.131 1.00 0.00 H ATOM 638 HZ2 LYS A 65 -25.873 -2.051 9.786 1.00 0.00 H ATOM 639 HZ3 LYS A 65 -26.989 -2.822 8.763 1.00 0.00 H ATOM 640 H LYS A 65 -21.161 -7.283 9.086 1.00 0.00 H ATOM 641 N LEU A 66 -18.380 -4.137 9.469 1.00 8.51 N ATOM 642 CA LEU A 66 -17.244 -3.936 10.329 1.00 8.96 C ATOM 643 C LEU A 66 -17.741 -3.823 11.749 1.00 7.99 C ATOM 644 O LEU A 66 -18.743 -3.135 12.066 1.00 8.80 O ATOM 645 CB LEU A 66 -16.424 -2.687 9.962 1.00 11.35 C ATOM 646 CG LEU A 66 -15.713 -2.755 8.620 1.00 11.79 C ATOM 647 CD1 LEU A 66 -15.185 -1.399 8.268 1.00 16.97 C ATOM 648 CD2 LEU A 66 -14.635 -3.811 8.619 1.00 11.84 C ATOM 649 H LEU A 66 -18.580 -3.466 8.700 1.00 0.00 H ATOM 650 N GLY A 67 -17.043 -4.516 12.637 1.00 8.09 N ATOM 651 CA GLY A 67 -17.312 -4.398 14.041 1.00 8.74 C ATOM 652 C GLY A 67 -18.506 -5.164 14.553 1.00 7.96 C ATOM 653 O GLY A 67 -18.849 -4.970 15.719 1.00 10.28 O ATOM 654 H GLY A 67 -16.289 -5.155 12.311 1.00 0.00 H ATOM 655 N VAL A 68 -19.100 -6.035 13.725 1.00 6.87 N ATOM 656 CA VAL A 68 -20.254 -6.826 14.124 1.00 6.75 C ATOM 657 C VAL A 68 -19.924 -8.290 13.921 1.00 5.81 C ATOM 658 O VAL A 68 -19.575 -8.718 12.801 1.00 5.66 O ATOM 659 CB VAL A 68 -21.520 -6.430 13.349 1.00 7.52 C ATOM 660 CG1 VAL A 68 -22.688 -7.288 13.760 1.00 9.62 C ATOM 661 CG2 VAL A 68 -21.833 -4.949 13.542 1.00 9.69 C ATOM 662 H VAL A 68 -18.722 -6.149 12.763 1.00 0.00 H ATOM 663 N GLU A 69 -20.037 -9.083 14.961 1.00 6.02 N ATOM 664 CA GLU A 69 -19.695 -10.499 14.869 1.00 5.50 C ATOM 665 C GLU A 69 -20.586 -11.231 13.876 1.00 5.42 C ATOM 666 O GLU A 69 -21.793 -10.914 13.718 1.00 5.78 O ATOM 667 CB GLU A 69 -19.814 -11.117 16.277 1.00 6.08 C ATOM 668 CG GLU A 69 -19.337 -12.547 16.390 1.00 6.04 C ATOM 669 CD GLU A 69 -19.387 -13.030 17.832 1.00 6.96 C ATOM 670 OE1 GLU A 69 -20.496 -13.200 18.371 1.00 8.71 O ATOM 671 OE2 GLU A 69 -18.309 -13.224 18.424 1.00 10.29 O ATOM 672 H GLU A 69 -20.376 -8.696 15.865 1.00 0.00 H ATOM 673 N PHE A 70 -20.030 -12.236 13.216 1.00 5.13 N ATOM 674 CA PHE A 70 -20.747 -13.059 12.266 1.00 5.18 C ATOM 675 C PHE A 70 -20.260 -14.490 12.374 1.00 4.95 C ATOM 676 O PHE A 70 -19.103 -14.753 12.703 1.00 5.97 O ATOM 677 CB PHE A 70 -20.626 -12.536 10.810 1.00 5.47 C ATOM 678 CG PHE A 70 -19.207 -12.425 10.273 1.00 4.92 C ATOM 679 CD1 PHE A 70 -18.382 -11.388 10.644 1.00 5.14 C ATOM 680 CD2 PHE A 70 -18.733 -13.365 9.364 1.00 5.48 C ATOM 681 CE1 PHE A 70 -17.100 -11.277 10.103 1.00 5.48 C ATOM 682 CE2 PHE A 70 -17.447 -13.246 8.831 1.00 5.83 C ATOM 683 CZ PHE A 70 -16.653 -12.194 9.206 1.00 5.28 C ATOM 684 H PHE A 70 -19.026 -12.444 13.390 1.00 0.00 H ATOM 685 N ASP A 71 -21.143 -15.436 12.051 1.00 5.23 N ATOM 686 CA ASP A 71 -20.753 -16.818 11.908 1.00 5.56 C ATOM 687 C ASP A 71 -20.046 -17.037 10.579 1.00 5.28 C ATOM 688 O ASP A 71 -20.433 -16.450 9.555 1.00 6.14 O ATOM 689 CB ASP A 71 -21.978 -17.730 12.001 1.00 6.78 C ATOM 690 CG ASP A 71 -22.503 -17.863 13.425 1.00 7.71 C ATOM 691 OD1 ASP A 71 -21.757 -18.312 14.282 1.00 12.79 O ATOM 692 OD2 ASP A 71 -23.663 -17.552 13.665 1.00 11.14 O ATOM 693 H ASP A 71 -22.137 -15.171 11.898 1.00 0.00 H ATOM 694 N GLU A 72 -19.035 -17.907 10.571 1.00 5.62 N ATOM 695 CA GLU A 72 -18.277 -18.193 9.368 1.00 5.68 C ATOM 696 C GLU A 72 -17.909 -19.678 9.372 1.00 5.82 C ATOM 697 O GLU A 72 -17.611 -20.248 10.424 1.00 6.65 O ATOM 698 CB GLU A 72 -17.019 -17.310 9.345 1.00 5.72 C ATOM 699 CG GLU A 72 -16.051 -17.571 8.209 1.00 5.51 C ATOM 700 CD GLU A 72 -14.801 -16.680 8.255 1.00 5.57 C ATOM 701 OE1 GLU A 72 -14.577 -15.990 9.252 1.00 6.80 O ATOM 702 OE2 GLU A 72 -14.028 -16.743 7.271 1.00 6.71 O ATOM 703 H GLU A 72 -18.783 -18.395 11.454 1.00 0.00 H ATOM 704 N THR A 73 -17.891 -20.268 8.177 1.00 5.80 N ATOM 705 CA THR A 73 -17.374 -21.618 7.975 1.00 6.33 C ATOM 706 C THR A 73 -16.203 -21.487 7.018 1.00 5.88 C ATOM 707 O THR A 73 -16.371 -21.086 5.886 1.00 6.89 O ATOM 708 CB THR A 73 -18.420 -22.563 7.447 1.00 7.88 C ATOM 709 OG1 THR A 73 -19.497 -22.576 8.403 1.00 9.84 O ATOM 710 CG2 THR A 73 -17.847 -23.949 7.264 1.00 9.76 C ATOM 711 HG1 THR A 73 -19.866 -21.662 8.496 1.00 0.00 H ATOM 712 H THR A 73 -18.260 -19.746 7.356 1.00 0.00 H ATOM 713 N THR A 74 -14.998 -21.749 7.517 1.00 5.98 N ATOM 714 CA THR A 74 -13.788 -21.443 6.754 1.00 5.99 C ATOM 715 C THR A 74 -13.537 -22.454 5.648 1.00 6.13 C ATOM 716 O THR A 74 -14.179 -23.494 5.543 1.00 7.31 O ATOM 717 CB THR A 74 -12.602 -21.393 7.738 1.00 5.87 C ATOM 718 OG1 THR A 74 -12.386 -22.707 8.257 1.00 6.41 O ATOM 719 CG2 THR A 74 -12.824 -20.411 8.845 1.00 6.10 C ATOM 720 HG1 THR A 74 -12.181 -23.325 7.512 1.00 0.00 H ATOM 721 H THR A 74 -14.915 -22.177 8.461 1.00 0.00 H ATOM 722 N ALA A 75 -12.516 -22.148 4.814 1.00 6.44 N ATOM 723 CA ALA A 75 -12.196 -23.018 3.689 1.00 7.47 C ATOM 724 C ALA A 75 -11.826 -24.425 4.122 1.00 7.88 C ATOM 725 O ALA A 75 -12.027 -25.369 3.382 1.00 10.67 O ATOM 726 CB ALA A 75 -11.070 -22.410 2.889 1.00 7.98 C ATOM 727 H ALA A 75 -11.956 -21.287 4.977 1.00 0.00 H ATOM 728 N ASP A 76 -11.213 -24.527 5.323 1.00 7.38 N ATOM 729 CA ASP A 76 -10.837 -25.787 5.912 1.00 8.21 C ATOM 730 C ASP A 76 -11.898 -26.326 6.872 1.00 8.42 C ATOM 731 O ASP A 76 -11.647 -27.241 7.663 1.00 10.41 O ATOM 732 CB ASP A 76 -9.473 -25.694 6.624 1.00 8.39 C ATOM 733 CG ASP A 76 -9.449 -24.653 7.750 1.00 6.92 C ATOM 734 OD1 ASP A 76 -9.941 -23.518 7.493 1.00 7.01 O ATOM 735 OD2 ASP A 76 -8.904 -24.950 8.828 1.00 8.28 O ATOM 736 H ASP A 76 -11.003 -23.654 5.847 1.00 0.00 H ATOM 737 N ASP A 77 -13.115 -25.791 6.765 1.00 8.32 N ATOM 738 CA ASP A 77 -14.298 -26.344 7.442 1.00 9.00 C ATOM 739 C ASP A 77 -14.364 -26.121 8.951 1.00 9.11 C ATOM 740 O ASP A 77 -15.097 -26.827 9.648 1.00 13.40 O ATOM 741 CB ASP A 77 -14.545 -27.824 7.082 1.00 11.96 C ATOM 742 CG ASP A 77 -14.625 -28.064 5.603 1.00 22.74 C ATOM 743 OD1 ASP A 77 -15.382 -27.337 4.991 1.00 52.08 O ATOM 744 OD2 ASP A 77 -13.895 -28.941 5.097 1.00 42.81 O ATOM 745 H ASP A 77 -13.233 -24.943 6.175 1.00 0.00 H ATOM 746 N ARG A 78 -13.660 -25.122 9.451 1.00 7.58 N ATOM 747 CA ARG A 78 -13.899 -24.683 10.843 1.00 7.24 C ATOM 748 C ARG A 78 -15.146 -23.809 10.931 1.00 7.07 C ATOM 749 O ARG A 78 -15.318 -22.891 10.148 1.00 8.22 O ATOM 750 CB ARG A 78 -12.712 -23.914 11.412 1.00 7.03 C ATOM 751 CG ARG A 78 -11.465 -24.750 11.618 1.00 7.69 C ATOM 752 CD ARG A 78 -10.269 -23.861 12.023 1.00 7.47 C ATOM 753 NE ARG A 78 -9.741 -23.184 10.840 1.00 6.49 N ATOM 754 CZ ARG A 78 -9.700 -21.883 10.612 1.00 6.29 C ATOM 755 NH1 ARG A 78 -9.938 -20.990 11.579 1.00 6.76 N ATOM 756 NH2 ARG A 78 -9.394 -21.454 9.386 1.00 6.38 N ATOM 757 HE ARG A 78 -9.354 -23.795 10.093 1.00 0.00 H ATOM 758 HH12 ARG A 78 -9.898 -19.972 11.368 1.00 0.00 H ATOM 759 HH11 ARG A 78 -10.163 -21.313 12.542 1.00 0.00 H ATOM 760 HH22 ARG A 78 -9.357 -20.434 9.186 1.00 0.00 H ATOM 761 HH21 ARG A 78 -9.193 -22.140 8.630 1.00 0.00 H ATOM 762 H ARG A 78 -12.941 -24.646 8.869 1.00 0.00 H ATOM 763 N LYS A 79 -15.958 -24.063 11.959 1.00 7.71 N ATOM 764 CA LYS A 79 -17.123 -23.208 12.244 1.00 7.39 C ATOM 765 C LYS A 79 -16.700 -22.252 13.340 1.00 7.45 C ATOM 766 O LYS A 79 -16.408 -22.670 14.479 1.00 9.41 O ATOM 767 CB LYS A 79 -18.314 -24.046 12.640 1.00 10.24 C ATOM 768 CG LYS A 79 -18.801 -24.914 11.456 1.00 13.63 C ATOM 769 CD LYS A 79 -20.034 -25.700 11.713 1.00 20.22 C ATOM 770 CE LYS A 79 -20.438 -26.503 10.473 1.00 34.92 C ATOM 771 NZ LYS A 79 -21.422 -27.646 10.623 1.00 61.50 N ATOM 772 HZ1 LYS A 79 -21.031 -28.355 11.276 1.00 0.00 H ATOM 773 HZ2 LYS A 79 -22.320 -27.282 11.001 1.00 0.00 H ATOM 774 HZ3 LYS A 79 -21.588 -28.083 9.694 1.00 0.00 H ATOM 775 H LYS A 79 -15.764 -24.881 12.571 1.00 0.00 H ATOM 776 N VAL A 80 -16.599 -20.972 12.984 1.00 6.41 N ATOM 777 CA VAL A 80 -15.987 -19.972 13.844 1.00 6.49 C ATOM 778 C VAL A 80 -16.917 -18.787 14.047 1.00 6.06 C ATOM 779 O VAL A 80 -17.862 -18.572 13.284 1.00 6.79 O ATOM 780 CB VAL A 80 -14.619 -19.501 13.265 1.00 6.24 C ATOM 781 CG1 VAL A 80 -13.716 -20.705 12.953 1.00 6.99 C ATOM 782 CG2 VAL A 80 -14.781 -18.674 12.016 1.00 6.57 C ATOM 783 H VAL A 80 -16.971 -20.678 12.058 1.00 0.00 H ATOM 784 N LYS A 81 -16.625 -18.018 15.084 1.00 6.43 N ATOM 785 CA LYS A 81 -17.229 -16.724 15.356 1.00 6.35 C ATOM 786 C LYS A 81 -16.230 -15.665 14.940 1.00 5.67 C ATOM 787 O LYS A 81 -15.098 -15.682 15.469 1.00 6.58 O ATOM 788 CB LYS A 81 -17.555 -16.593 16.855 1.00 8.02 C ATOM 789 CG LYS A 81 -18.514 -17.601 17.387 1.00 9.65 C ATOM 790 CD LYS A 81 -19.937 -17.365 16.976 1.00 10.34 C ATOM 791 CE LYS A 81 -20.789 -18.485 17.527 1.00 12.18 C ATOM 792 NZ LYS A 81 -22.153 -18.346 17.100 1.00 11.77 N ATOM 793 HZ1 LYS A 81 -22.531 -17.439 17.440 1.00 0.00 H ATOM 794 HZ2 LYS A 81 -22.194 -18.373 16.061 1.00 0.00 H ATOM 795 HZ3 LYS A 81 -22.719 -19.126 17.491 1.00 0.00 H ATOM 796 H LYS A 81 -15.910 -18.366 15.754 1.00 0.00 H ATOM 797 N SER A 82 -16.611 -14.777 14.059 1.00 5.33 N ATOM 798 CA SER A 82 -15.679 -13.852 13.431 1.00 5.33 C ATOM 799 C SER A 82 -16.063 -12.412 13.641 1.00 5.11 C ATOM 800 O SER A 82 -17.244 -12.072 13.771 1.00 5.68 O ATOM 801 CB SER A 82 -15.636 -14.131 11.929 1.00 5.87 C ATOM 802 OG SER A 82 -15.011 -15.390 11.745 1.00 7.64 O ATOM 803 HG SER A 82 -14.969 -15.598 10.778 1.00 0.00 H ATOM 804 H SER A 82 -17.616 -14.730 13.798 1.00 0.00 H ATOM 805 N ILE A 83 -15.065 -11.540 13.590 1.00 5.43 N ATOM 806 CA ILE A 83 -15.295 -10.102 13.548 1.00 5.75 C ATOM 807 C ILE A 83 -14.197 -9.496 12.718 1.00 5.79 C ATOM 808 O ILE A 83 -13.035 -9.948 12.799 1.00 7.14 O ATOM 809 CB ILE A 83 -15.418 -9.502 14.955 1.00 6.93 C ATOM 810 CG1 ILE A 83 -15.963 -8.093 14.917 1.00 9.37 C ATOM 811 CG2 ILE A 83 -14.138 -9.644 15.755 1.00 8.91 C ATOM 812 CD1 ILE A 83 -16.388 -7.576 16.245 1.00 12.28 C ATOM 813 H ILE A 83 -14.087 -11.894 13.580 1.00 0.00 H ATOM 814 N VAL A 84 -14.531 -8.498 11.919 1.00 5.59 N ATOM 815 CA VAL A 84 -13.568 -7.770 11.110 1.00 5.82 C ATOM 816 C VAL A 84 -13.656 -6.315 11.507 1.00 6.15 C ATOM 817 O VAL A 84 -14.768 -5.742 11.569 1.00 7.65 O ATOM 818 CB VAL A 84 -13.826 -7.939 9.614 1.00 5.82 C ATOM 819 CG1 VAL A 84 -12.788 -7.188 8.791 1.00 7.07 C ATOM 820 CG2 VAL A 84 -13.829 -9.401 9.216 1.00 6.24 C ATOM 821 H VAL A 84 -15.532 -8.220 11.867 1.00 0.00 H ATOM 822 N THR A 85 -12.523 -5.654 11.725 1.00 5.37 N ATOM 823 CA THR A 85 -12.468 -4.253 12.127 1.00 7.46 C ATOM 824 C THR A 85 -11.281 -3.572 11.438 1.00 6.28 C ATOM 825 O THR A 85 -10.344 -4.237 11.082 1.00 8.84 O ATOM 826 CB THR A 85 -12.270 -4.147 13.630 1.00 10.03 C ATOM 827 OG1 THR A 85 -11.039 -4.727 13.986 1.00 18.24 O ATOM 828 CG2 THR A 85 -13.335 -4.971 14.365 1.00 13.81 C ATOM 829 HG1 THR A 85 -11.035 -5.680 13.720 1.00 0.00 H ATOM 830 H THR A 85 -11.625 -6.165 11.602 1.00 0.00 H ATOM 831 N LEU A 86 -11.353 -2.283 11.236 1.00 6.79 N ATOM 832 CA LEU A 86 -10.127 -1.517 10.962 1.00 7.23 C ATOM 833 C LEU A 86 -9.394 -1.174 12.249 1.00 6.47 C ATOM 834 O LEU A 86 -9.932 -0.732 13.266 1.00 6.48 O ATOM 835 CB LEU A 86 -10.447 -0.212 10.240 1.00 7.72 C ATOM 836 CG LEU A 86 -10.922 -0.511 8.828 1.00 7.68 C ATOM 837 CD1 LEU A 86 -11.690 0.664 8.288 1.00 10.52 C ATOM 838 CD2 LEU A 86 -9.753 -0.859 7.910 1.00 8.22 C ATOM 839 H LEU A 86 -12.274 -1.800 11.269 1.00 0.00 H ATOM 840 N ASP A 87 -8.071 -1.357 12.186 1.00 8.11 N ATOM 841 CA ASP A 87 -7.220 -1.118 13.357 1.00 8.70 C ATOM 842 C ASP A 87 -5.864 -0.634 12.779 1.00 8.62 C ATOM 843 O ASP A 87 -5.200 -1.356 12.083 1.00 9.76 O ATOM 844 CB ASP A 87 -7.045 -2.431 14.130 1.00 12.60 C ATOM 845 CG ASP A 87 -6.257 -2.342 15.376 1.00 16.30 C ATOM 846 OD1 ASP A 87 -5.556 -1.367 15.552 1.00 14.77 O ATOM 847 OD2 ASP A 87 -6.252 -3.388 16.129 1.00 21.96 O ATOM 848 H ASP A 87 -7.639 -1.673 11.294 1.00 0.00 H ATOM 849 N GLY A 88 -5.552 0.620 13.046 1.00 8.42 N ATOM 850 CA GLY A 88 -4.283 1.128 12.502 1.00 10.23 C ATOM 851 C GLY A 88 -4.263 1.145 11.012 1.00 9.94 C ATOM 852 O GLY A 88 -3.188 1.011 10.410 1.00 13.26 O ATOM 853 H GLY A 88 -6.177 1.224 13.617 1.00 0.00 H ATOM 854 N GLY A 89 -5.413 1.296 10.375 1.00 9.20 N ATOM 855 CA GLY A 89 -5.509 1.258 8.910 1.00 10.66 C ATOM 856 C GLY A 89 -5.439 -0.131 8.318 1.00 9.34 C ATOM 857 O GLY A 89 -5.457 -0.233 7.085 1.00 12.38 O ATOM 858 H GLY A 89 -6.279 1.447 10.931 1.00 0.00 H ATOM 859 N LYS A 90 -5.386 -1.160 9.147 1.00 8.23 N ATOM 860 CA LYS A 90 -5.334 -2.528 8.699 1.00 7.96 C ATOM 861 C LYS A 90 -6.715 -3.166 8.883 1.00 7.00 C ATOM 862 O LYS A 90 -7.420 -2.862 9.859 1.00 8.45 O ATOM 863 CB LYS A 90 -4.342 -3.351 9.523 1.00 8.38 C ATOM 864 CG LYS A 90 -2.932 -2.752 9.483 1.00 10.39 C ATOM 865 CD LYS A 90 -1.881 -3.656 10.072 1.00 13.20 C ATOM 866 CE LYS A 90 -0.464 -3.048 10.105 1.00 16.58 C ATOM 867 NZ LYS A 90 0.564 -4.089 10.431 1.00 19.17 N ATOM 868 HZ1 LYS A 90 0.356 -4.499 11.364 1.00 0.00 H ATOM 869 HZ2 LYS A 90 0.540 -4.837 9.709 1.00 0.00 H ATOM 870 HZ3 LYS A 90 1.507 -3.651 10.446 1.00 0.00 H ATOM 871 H LYS A 90 -5.382 -0.973 10.170 1.00 0.00 H ATOM 872 N LEU A 91 -7.075 -4.020 7.965 1.00 6.69 N ATOM 873 CA LEU A 91 -8.329 -4.746 8.088 1.00 7.08 C ATOM 874 C LEU A 91 -8.039 -5.993 8.896 1.00 5.86 C ATOM 875 O LEU A 91 -7.271 -6.817 8.342 1.00 6.08 O ATOM 876 CB LEU A 91 -8.750 -4.961 6.629 1.00 7.39 C ATOM 877 CG LEU A 91 -10.158 -5.552 6.510 1.00 7.57 C ATOM 878 CD1 LEU A 91 -11.200 -4.549 6.937 1.00 6.74 C ATOM 879 CD2 LEU A 91 -10.420 -6.014 5.094 1.00 10.73 C ATOM 880 H LEU A 91 -6.462 -4.183 7.141 1.00 0.00 H ATOM 881 N VAL A 92 -8.523 -6.158 10.148 1.00 6.94 N ATOM 882 CA VAL A 92 -8.183 -7.241 11.049 1.00 6.96 C ATOM 883 C VAL A 92 -9.376 -8.166 11.193 1.00 6.81 C ATOM 884 O VAL A 92 -10.437 -7.722 11.687 1.00 8.59 O ATOM 885 CB VAL A 92 -7.775 -6.695 12.432 1.00 8.18 C ATOM 886 CG1 VAL A 92 -7.487 -7.831 13.427 1.00 9.90 C ATOM 887 CG2 VAL A 92 -6.552 -5.771 12.318 1.00 8.73 C ATOM 888 H VAL A 92 -9.198 -5.446 10.494 1.00 0.00 H ATOM 889 N HIS A 93 -9.209 -9.397 10.802 1.00 6.13 N ATOM 890 CA HIS A 93 -10.248 -10.444 10.853 1.00 6.03 C ATOM 891 C HIS A 93 -9.833 -11.421 11.952 1.00 6.11 C ATOM 892 O HIS A 93 -8.780 -12.055 11.851 1.00 7.33 O ATOM 893 CB HIS A 93 -10.373 -11.094 9.509 1.00 6.21 C ATOM 894 CG HIS A 93 -11.387 -12.189 9.363 1.00 6.80 C ATOM 895 ND1 HIS A 93 -11.534 -12.815 8.160 1.00 8.49 N ATOM 896 CD2 HIS A 93 -12.269 -12.746 10.241 1.00 8.46 C ATOM 897 CE1 HIS A 93 -12.497 -13.693 8.353 1.00 9.48 C ATOM 898 NE2 HIS A 93 -12.949 -13.691 9.586 1.00 9.62 N ATOM 899 H HIS A 93 -8.276 -9.661 10.427 1.00 0.00 H ATOM 900 N LEU A 94 -10.633 -11.509 13.018 1.00 6.42 N ATOM 901 CA LEU A 94 -10.389 -12.425 14.120 1.00 6.39 C ATOM 902 C LEU A 94 -11.404 -13.542 14.092 1.00 6.15 C ATOM 903 O LEU A 94 -12.623 -13.241 14.032 1.00 7.12 O ATOM 904 CB LEU A 94 -10.514 -11.661 15.453 1.00 7.79 C ATOM 905 CG LEU A 94 -10.461 -12.493 16.738 1.00 9.37 C ATOM 906 CD1 LEU A 94 -9.149 -13.216 16.911 1.00 10.10 C ATOM 907 CD2 LEU A 94 -10.767 -11.629 17.938 1.00 14.16 C ATOM 908 H LEU A 94 -11.470 -10.893 13.062 1.00 0.00 H ATOM 909 N GLN A 95 -10.965 -14.784 14.116 1.00 5.63 N ATOM 910 CA GLN A 95 -11.814 -15.971 14.180 1.00 5.51 C ATOM 911 C GLN A 95 -11.611 -16.687 15.499 1.00 6.16 C ATOM 912 O GLN A 95 -10.457 -16.886 15.921 1.00 7.31 O ATOM 913 CB GLN A 95 -11.462 -16.952 13.056 1.00 6.04 C ATOM 914 CG GLN A 95 -11.675 -16.372 11.673 1.00 5.81 C ATOM 915 CD GLN A 95 -11.170 -17.275 10.573 1.00 5.74 C ATOM 916 OE1 GLN A 95 -10.286 -18.118 10.761 1.00 6.46 O ATOM 917 NE2 GLN A 95 -11.718 -17.101 9.380 1.00 6.36 N ATOM 918 HE22 GLN A 95 -12.460 -16.385 9.248 1.00 0.00 H ATOM 919 HE21 GLN A 95 -11.406 -17.681 8.575 1.00 0.00 H ATOM 920 H GLN A 95 -9.936 -14.930 14.087 1.00 0.00 H ATOM 921 N LYS A 96 -12.707 -17.090 16.130 1.00 6.25 N ATOM 922 CA LYS A 96 -12.694 -17.783 17.442 1.00 7.09 C ATOM 923 C LYS A 96 -13.472 -19.087 17.332 1.00 7.43 C ATOM 924 O LYS A 96 -14.606 -19.086 16.824 1.00 8.61 O ATOM 925 CB LYS A 96 -13.366 -16.915 18.507 1.00 9.07 C ATOM 926 CG LYS A 96 -12.695 -15.629 18.779 1.00 10.93 C ATOM 927 CD LYS A 96 -13.607 -14.776 19.682 1.00 17.24 C ATOM 928 CE LYS A 96 -13.044 -13.404 19.843 1.00 20.92 C ATOM 929 NZ LYS A 96 -14.040 -12.507 20.542 1.00 23.08 N ATOM 930 HZ1 LYS A 96 -14.912 -12.453 19.977 1.00 0.00 H ATOM 931 HZ2 LYS A 96 -14.257 -12.898 21.481 1.00 0.00 H ATOM 932 HZ3 LYS A 96 -13.634 -11.555 20.647 1.00 0.00 H ATOM 933 H LYS A 96 -13.627 -16.910 15.679 1.00 0.00 H ATOM 934 N TRP A 97 -12.916 -20.164 17.850 1.00 8.00 N ATOM 935 CA TRP A 97 -13.637 -21.448 17.897 1.00 9.16 C ATOM 936 C TRP A 97 -12.978 -22.344 18.908 1.00 10.28 C ATOM 937 O TRP A 97 -11.741 -22.393 18.967 1.00 10.27 O ATOM 938 CB TRP A 97 -13.663 -22.158 16.537 1.00 9.53 C ATOM 939 CG TRP A 97 -12.383 -22.719 16.081 1.00 9.05 C ATOM 940 CD1 TRP A 97 -12.071 -24.021 16.040 1.00 11.17 C ATOM 941 CD2 TRP A 97 -11.179 -22.025 15.671 1.00 7.97 C ATOM 942 NE1 TRP A 97 -10.798 -24.228 15.634 1.00 11.14 N ATOM 943 CE2 TRP A 97 -10.217 -23.012 15.430 1.00 8.51 C ATOM 944 CE3 TRP A 97 -10.836 -20.695 15.482 1.00 7.87 C ATOM 945 CZ2 TRP A 97 -8.899 -22.687 15.020 1.00 9.42 C ATOM 946 CZ3 TRP A 97 -9.555 -20.350 15.104 1.00 8.56 C ATOM 947 CH2 TRP A 97 -8.593 -21.363 14.878 1.00 8.69 C ATOM 948 HE1 TRP A 97 -10.342 -25.153 15.501 1.00 0.00 H ATOM 949 H TRP A 97 -11.951 -20.106 18.233 1.00 0.00 H ATOM 950 N ASP A 98 -13.738 -23.007 19.736 1.00 14.20 N ATOM 951 CA ASP A 98 -13.176 -23.976 20.675 1.00 15.28 C ATOM 952 C ASP A 98 -12.119 -23.343 21.598 1.00 12.90 C ATOM 953 O ASP A 98 -11.225 -24.046 22.057 1.00 14.38 O ATOM 954 CB ASP A 98 -12.629 -25.222 19.955 1.00 17.49 C ATOM 955 CG ASP A 98 -13.700 -26.024 19.198 1.00 23.54 C ATOM 956 OD1 ASP A 98 -14.906 -25.996 19.631 1.00 33.27 O ATOM 957 OD2 ASP A 98 -13.326 -26.663 18.188 1.00 26.42 O ATOM 958 H ASP A 98 -14.765 -22.843 19.728 1.00 0.00 H ATOM 959 N GLY A 99 -12.255 -22.051 21.905 1.00 12.17 N ATOM 960 CA GLY A 99 -11.275 -21.347 22.706 1.00 11.79 C ATOM 961 C GLY A 99 -9.997 -20.978 21.932 1.00 10.53 C ATOM 962 O GLY A 99 -9.168 -20.239 22.463 1.00 12.22 O ATOM 963 H GLY A 99 -13.089 -21.535 21.559 1.00 0.00 H ATOM 964 N GLN A 100 -9.822 -21.415 20.673 1.00 8.16 N ATOM 965 CA GLN A 100 -8.744 -21.041 19.811 1.00 8.45 C ATOM 966 C GLN A 100 -9.058 -19.730 19.123 1.00 6.64 C ATOM 967 O GLN A 100 -10.229 -19.337 18.993 1.00 7.23 O ATOM 968 CB GLN A 100 -8.525 -22.136 18.702 1.00 9.57 C ATOM 969 CG GLN A 100 -8.193 -23.445 19.311 1.00 13.83 C ATOM 970 CD GLN A 100 -7.650 -24.368 18.308 1.00 12.49 C ATOM 971 OE1 GLN A 100 -6.687 -24.050 17.575 1.00 14.92 O ATOM 972 NE2 GLN A 100 -8.259 -25.460 18.165 1.00 19.22 N ATOM 973 HE22 GLN A 100 -9.056 -25.697 18.790 1.00 0.00 H ATOM 974 HE21 GLN A 100 -7.965 -26.126 17.422 1.00 0.00 H ATOM 975 H GLN A 100 -10.528 -22.079 20.295 1.00 0.00 H ATOM 976 N GLU A 101 -8.009 -19.089 18.622 1.00 7.22 N ATOM 977 CA GLU A 101 -8.127 -17.891 17.827 1.00 7.22 C ATOM 978 C GLU A 101 -7.132 -17.929 16.674 1.00 6.36 C ATOM 979 O GLU A 101 -6.027 -18.438 16.814 1.00 7.84 O ATOM 980 CB GLU A 101 -7.896 -16.624 18.676 1.00 9.17 C ATOM 981 CG GLU A 101 -8.826 -16.461 19.839 1.00 11.72 C ATOM 982 CD GLU A 101 -8.681 -15.082 20.508 1.00 22.24 C ATOM 983 OE1 GLU A 101 -9.639 -14.785 21.217 1.00 29.87 O ATOM 984 OE2 GLU A 101 -7.695 -14.300 20.335 1.00 39.03 O ATOM 985 H GLU A 101 -7.059 -19.468 18.811 1.00 0.00 H ATOM 986 N THR A 102 -7.509 -17.256 15.588 1.00 5.89 N ATOM 987 CA THR A 102 -6.561 -16.932 14.536 1.00 5.77 C ATOM 988 C THR A 102 -6.892 -15.552 14.020 1.00 5.65 C ATOM 989 O THR A 102 -8.065 -15.163 13.989 1.00 6.55 O ATOM 990 CB THR A 102 -6.537 -18.003 13.441 1.00 6.02 C ATOM 991 OG1 THR A 102 -5.515 -17.717 12.481 1.00 6.23 O ATOM 992 CG2 THR A 102 -7.813 -18.130 12.654 1.00 6.06 C ATOM 993 HG1 THR A 102 -4.635 -17.699 12.933 1.00 0.00 H ATOM 994 H THR A 102 -8.500 -16.957 15.491 1.00 0.00 H ATOM 995 N THR A 103 -5.867 -14.827 13.608 1.00 5.90 N ATOM 996 CA THR A 103 -6.056 -13.526 13.009 1.00 6.34 C ATOM 997 C THR A 103 -5.568 -13.528 11.568 1.00 5.79 C ATOM 998 O THR A 103 -4.548 -14.137 11.225 1.00 6.75 O ATOM 999 CB THR A 103 -5.341 -12.424 13.789 1.00 8.10 C ATOM 1000 OG1 THR A 103 -3.965 -12.714 13.890 1.00 9.45 O ATOM 1001 CG2 THR A 103 -5.976 -12.260 15.146 1.00 11.84 C ATOM 1002 HG1 THR A 103 -3.574 -12.775 12.982 1.00 0.00 H ATOM 1003 H THR A 103 -4.903 -15.201 13.717 1.00 0.00 H ATOM 1004 N LEU A 104 -6.324 -12.804 10.742 1.00 5.75 N ATOM 1005 CA LEU A 104 -6.028 -12.574 9.329 1.00 5.74 C ATOM 1006 C LEU A 104 -5.960 -11.079 9.157 1.00 5.94 C ATOM 1007 O LEU A 104 -7.008 -10.395 9.255 1.00 6.77 O ATOM 1008 CB LEU A 104 -7.086 -13.197 8.422 1.00 6.36 C ATOM 1009 CG LEU A 104 -7.392 -14.709 8.601 1.00 8.83 C ATOM 1010 CD1 LEU A 104 -8.487 -14.914 9.707 1.00 9.83 C ATOM 1011 CD2 LEU A 104 -7.868 -15.327 7.291 1.00 10.18 C ATOM 1012 H LEU A 104 -7.186 -12.372 11.131 1.00 0.00 H ATOM 1013 N VAL A 105 -4.765 -10.513 9.032 1.00 5.78 N ATOM 1014 CA VAL A 105 -4.568 -9.069 9.050 1.00 5.83 C ATOM 1015 C VAL A 105 -4.156 -8.636 7.654 1.00 5.59 C ATOM 1016 O VAL A 105 -3.201 -9.173 7.098 1.00 7.08 O ATOM 1017 CB VAL A 105 -3.493 -8.680 10.078 1.00 7.17 C ATOM 1018 CG1 VAL A 105 -3.202 -7.184 9.989 1.00 9.44 C ATOM 1019 CG2 VAL A 105 -3.892 -9.091 11.471 1.00 9.36 C ATOM 1020 H VAL A 105 -3.934 -11.127 8.916 1.00 0.00 H ATOM 1021 N ARG A 106 -4.870 -7.667 7.084 1.00 5.62 N ATOM 1022 CA ARG A 106 -4.553 -7.162 5.754 1.00 5.85 C ATOM 1023 C ARG A 106 -4.118 -5.723 5.854 1.00 5.95 C ATOM 1024 O ARG A 106 -4.772 -4.898 6.523 1.00 6.76 O ATOM 1025 CB ARG A 106 -5.755 -7.260 4.827 1.00 6.57 C ATOM 1026 CG ARG A 106 -6.082 -8.712 4.504 1.00 6.17 C ATOM 1027 CD ARG A 106 -7.297 -8.839 3.607 1.00 7.08 C ATOM 1028 NE ARG A 106 -7.534 -10.168 3.083 1.00 7.40 N ATOM 1029 CZ ARG A 106 -8.226 -11.094 3.732 1.00 6.47 C ATOM 1030 NH1 ARG A 106 -8.793 -10.849 4.901 1.00 7.28 N ATOM 1031 NH2 ARG A 106 -8.440 -12.294 3.191 1.00 7.55 N ATOM 1032 HE ARG A 106 -7.141 -10.408 2.150 1.00 0.00 H ATOM 1033 HH12 ARG A 106 -9.330 -11.597 5.386 1.00 0.00 H ATOM 1034 HH11 ARG A 106 -8.702 -9.909 5.336 1.00 0.00 H ATOM 1035 HH22 ARG A 106 -8.985 -13.010 3.713 1.00 0.00 H ATOM 1036 HH21 ARG A 106 -8.062 -12.514 2.247 1.00 0.00 H ATOM 1037 H ARG A 106 -5.675 -7.260 7.602 1.00 0.00 H ATOM 1038 N GLU A 107 -3.015 -5.404 5.174 1.00 6.66 N ATOM 1039 CA GLU A 107 -2.477 -4.056 5.156 1.00 8.78 C ATOM 1040 C GLU A 107 -1.966 -3.756 3.776 1.00 7.66 C ATOM 1041 O GLU A 107 -1.587 -4.644 3.031 1.00 11.65 O ATOM 1042 CB GLU A 107 -1.395 -3.885 6.173 1.00 9.81 C ATOM 1043 CG GLU A 107 -0.179 -4.614 5.832 1.00 9.58 C ATOM 1044 CD GLU A 107 0.728 -4.561 7.047 1.00 12.32 C ATOM 1045 OE1 GLU A 107 1.403 -3.522 7.282 1.00 20.55 O ATOM 1046 OE2 GLU A 107 0.647 -5.475 7.847 1.00 12.63 O ATOM 1047 H GLU A 107 -2.524 -6.147 4.638 1.00 0.00 H ATOM 1048 N LEU A 108 -1.958 -2.485 3.443 1.00 8.60 N ATOM 1049 CA LEU A 108 -1.467 -2.032 2.161 1.00 9.40 C ATOM 1050 C LEU A 108 -0.088 -1.486 2.330 1.00 10.24 C ATOM 1051 O LEU A 108 0.152 -0.607 3.130 1.00 13.18 O ATOM 1052 CB LEU A 108 -2.423 -0.995 1.583 1.00 11.59 C ATOM 1053 CG LEU A 108 -3.824 -1.560 1.312 1.00 14.30 C ATOM 1054 CD1 LEU A 108 -4.875 -0.482 1.145 1.00 21.06 C ATOM 1055 CD2 LEU A 108 -3.810 -2.522 0.149 1.00 19.70 C ATOM 1056 H LEU A 108 -2.316 -1.784 4.122 1.00 0.00 H ATOM 1057 N ILE A 109 0.851 -1.990 1.554 1.00 11.20 N ATOM 1058 CA ILE A 109 2.282 -1.540 1.572 1.00 13.89 C ATOM 1059 C ILE A 109 2.689 -1.426 0.099 1.00 13.86 C ATOM 1060 O ILE A 109 2.687 -2.367 -0.658 1.00 15.17 O ATOM 1061 CB ILE A 109 3.201 -2.566 2.247 1.00 16.94 C ATOM 1062 CG1 ILE A 109 2.794 -2.913 3.694 1.00 19.68 C ATOM 1063 CG2 ILE A 109 4.625 -1.965 2.255 1.00 22.21 C ATOM 1064 CD1 ILE A 109 3.669 -3.916 4.390 1.00 24.95 C ATOM 1065 H ILE A 109 0.584 -2.744 0.890 1.00 0.00 H ATOM 1066 N ASP A 110 2.977 -0.182 -0.300 1.00 23.12 N ATOM 1067 CA ASP A 110 3.378 0.122 -1.664 1.00 26.35 C ATOM 1068 C ASP A 110 2.419 -0.388 -2.680 1.00 20.27 C ATOM 1069 O ASP A 110 2.781 -0.868 -3.696 1.00 22.08 O ATOM 1070 CB ASP A 110 4.806 -0.317 -1.876 1.00 35.35 C ATOM 1071 CG ASP A 110 5.721 0.578 -1.120 1.00 48.15 C ATOM 1072 OD1 ASP A 110 5.501 1.770 -1.170 1.00 62.76 O ATOM 1073 OD2 ASP A 110 6.545 0.059 -0.421 1.00 78.64 O ATOM 1074 H ASP A 110 2.912 0.594 0.389 1.00 0.00 H ATOM 1075 N GLY A 111 1.150 -0.254 -2.333 1.00 17.29 N ATOM 1076 CA GLY A 111 0.078 -0.699 -3.240 1.00 19.00 C ATOM 1077 C GLY A 111 -0.203 -2.172 -3.241 1.00 13.80 C ATOM 1078 O GLY A 111 -1.121 -2.589 -3.981 1.00 13.85 O ATOM 1079 H GLY A 111 0.907 0.168 -1.414 1.00 0.00 H ATOM 1080 N LYS A 112 0.562 -2.969 -2.518 1.00 11.38 N ATOM 1081 CA LYS A 112 0.326 -4.395 -2.431 1.00 10.36 C ATOM 1082 C LYS A 112 -0.473 -4.676 -1.186 1.00 8.88 C ATOM 1083 O LYS A 112 -0.317 -3.995 -0.185 1.00 11.17 O ATOM 1084 CB LYS A 112 1.605 -5.178 -2.393 1.00 12.43 C ATOM 1085 CG LYS A 112 2.508 -4.884 -3.623 1.00 18.36 C ATOM 1086 CD LYS A 112 3.713 -5.707 -3.590 1.00 24.79 C ATOM 1087 CE LYS A 112 4.838 -5.183 -4.345 1.00 36.02 C ATOM 1088 NZ LYS A 112 6.204 -5.529 -3.726 1.00 63.58 N ATOM 1089 HZ1 LYS A 112 6.259 -5.132 -2.766 1.00 0.00 H ATOM 1090 HZ2 LYS A 112 6.311 -6.562 -3.681 1.00 0.00 H ATOM 1091 HZ3 LYS A 112 6.962 -5.126 -4.313 1.00 0.00 H ATOM 1092 H LYS A 112 1.361 -2.559 -1.993 1.00 0.00 H ATOM 1093 N LEU A 113 -1.279 -5.711 -1.245 1.00 7.87 N ATOM 1094 CA LEU A 113 -1.990 -6.129 -0.051 1.00 7.47 C ATOM 1095 C LEU A 113 -1.196 -7.262 0.568 1.00 6.62 C ATOM 1096 O LEU A 113 -0.964 -8.297 -0.052 1.00 6.59 O ATOM 1097 CB LEU A 113 -3.427 -6.488 -0.437 1.00 6.88 C ATOM 1098 CG LEU A 113 -4.405 -6.803 0.677 1.00 6.71 C ATOM 1099 CD1 LEU A 113 -5.846 -6.727 0.148 1.00 7.65 C ATOM 1100 CD2 LEU A 113 -4.166 -8.174 1.297 1.00 7.30 C ATOM 1101 H LEU A 113 -1.407 -6.226 -2.139 1.00 0.00 H ATOM 1102 N ILE A 114 -0.884 -7.047 1.854 1.00 6.90 N ATOM 1103 CA ILE A 114 -0.138 -8.030 2.621 1.00 6.69 C ATOM 1104 C ILE A 114 -1.093 -8.634 3.656 1.00 5.93 C ATOM 1105 O ILE A 114 -1.629 -7.907 4.499 1.00 6.97 O ATOM 1106 CB ILE A 114 1.083 -7.393 3.330 1.00 8.81 C ATOM 1107 CG1 ILE A 114 1.973 -6.617 2.395 1.00 15.06 C ATOM 1108 CG2 ILE A 114 1.828 -8.456 4.114 1.00 10.26 C ATOM 1109 CD1 ILE A 114 2.313 -7.112 1.123 1.00 18.63 C ATOM 1110 H ILE A 114 -1.181 -6.161 2.311 1.00 0.00 H ATOM 1111 N LEU A 115 -1.288 -9.936 3.558 1.00 5.62 N ATOM 1112 CA LEU A 115 -2.137 -10.707 4.455 1.00 5.41 C ATOM 1113 C LEU A 115 -1.226 -11.489 5.406 1.00 5.21 C ATOM 1114 O LEU A 115 -0.444 -12.327 4.950 1.00 6.02 O ATOM 1115 CB LEU A 115 -2.988 -11.650 3.609 1.00 6.29 C ATOM 1116 CG LEU A 115 -3.776 -12.702 4.400 1.00 6.49 C ATOM 1117 CD1 LEU A 115 -4.812 -12.086 5.332 1.00 8.17 C ATOM 1118 CD2 LEU A 115 -4.435 -13.675 3.407 1.00 7.86 C ATOM 1119 H LEU A 115 -0.804 -10.444 2.790 1.00 0.00 H ATOM 1120 N THR A 116 -1.354 -11.217 6.692 1.00 5.10 N ATOM 1121 CA THR A 116 -0.593 -11.932 7.705 1.00 5.17 C ATOM 1122 C THR A 116 -1.563 -12.811 8.491 1.00 5.18 C ATOM 1123 O THR A 116 -2.539 -12.304 9.071 1.00 5.74 O ATOM 1124 CB THR A 116 0.139 -10.966 8.659 1.00 6.41 C ATOM 1125 OG1 THR A 116 1.002 -10.132 7.894 1.00 7.49 O ATOM 1126 CG2 THR A 116 0.952 -11.728 9.667 1.00 7.71 C ATOM 1127 HG1 THR A 116 0.467 -9.617 7.240 1.00 0.00 H ATOM 1128 H THR A 116 -2.016 -10.472 6.988 1.00 0.00 H ATOM 1129 N LEU A 117 -1.283 -14.093 8.460 1.00 5.25 N ATOM 1130 CA LEU A 117 -2.109 -15.105 9.115 1.00 5.65 C ATOM 1131 C LEU A 117 -1.357 -15.573 10.345 1.00 5.05 C ATOM 1132 O LEU A 117 -0.186 -15.980 10.215 1.00 5.16 O ATOM 1133 CB LEU A 117 -2.353 -16.254 8.141 1.00 6.29 C ATOM 1134 CG LEU A 117 -2.916 -15.850 6.770 1.00 6.07 C ATOM 1135 CD1 LEU A 117 -2.984 -17.055 5.829 1.00 6.35 C ATOM 1136 CD2 LEU A 117 -4.311 -15.307 6.974 1.00 8.55 C ATOM 1137 H LEU A 117 -0.434 -14.403 7.945 1.00 0.00 H ATOM 1138 N THR A 118 -1.972 -15.604 11.530 1.00 5.01 N ATOM 1139 CA THR A 118 -1.302 -16.086 12.750 1.00 5.75 C ATOM 1140 C THR A 118 -2.193 -17.070 13.436 1.00 5.57 C ATOM 1141 O THR A 118 -3.371 -16.760 13.725 1.00 5.94 O ATOM 1142 CB THR A 118 -0.960 -14.927 13.692 1.00 6.48 C ATOM 1143 OG1 THR A 118 -0.175 -13.969 13.007 1.00 7.95 O ATOM 1144 CG2 THR A 118 -0.220 -15.405 14.904 1.00 8.82 C ATOM 1145 HG1 THR A 118 -0.682 -13.622 12.231 1.00 0.00 H ATOM 1146 H THR A 118 -2.957 -15.277 11.594 1.00 0.00 H ATOM 1147 N HIS A 119 -1.660 -18.238 13.766 1.00 6.15 N ATOM 1148 CA HIS A 119 -2.370 -19.214 14.624 1.00 6.44 C ATOM 1149 C HIS A 119 -1.272 -19.921 15.424 1.00 6.65 C ATOM 1150 O HIS A 119 -0.292 -20.363 14.838 1.00 6.96 O ATOM 1151 CB HIS A 119 -3.163 -20.236 13.818 1.00 6.57 C ATOM 1152 CG HIS A 119 -3.784 -21.277 14.690 1.00 6.77 C ATOM 1153 ND1 HIS A 119 -3.296 -22.551 14.750 1.00 8.05 N ATOM 1154 CD2 HIS A 119 -4.853 -21.197 15.524 1.00 7.51 C ATOM 1155 CE1 HIS A 119 -4.055 -23.218 15.605 1.00 8.50 C ATOM 1156 NE2 HIS A 119 -5.014 -22.432 16.089 1.00 8.74 N ATOM 1157 H HIS A 119 -0.712 -18.477 13.411 1.00 0.00 H ATOM 1158 N GLY A 120 -1.484 -20.055 16.723 1.00 7.75 N ATOM 1159 CA GLY A 120 -0.390 -20.647 17.511 1.00 8.71 C ATOM 1160 C GLY A 120 0.841 -19.789 17.382 1.00 7.90 C ATOM 1161 O GLY A 120 0.781 -18.554 17.541 1.00 9.43 O ATOM 1162 H GLY A 120 -2.377 -19.758 17.165 1.00 0.00 H ATOM 1163 N THR A 121 1.957 -20.411 17.084 1.00 7.59 N ATOM 1164 CA THR A 121 3.182 -19.677 16.818 1.00 7.83 C ATOM 1165 C THR A 121 3.389 -19.442 15.338 1.00 8.16 C ATOM 1166 O THR A 121 4.329 -18.692 15.012 1.00 10.54 O ATOM 1167 CB THR A 121 4.409 -20.418 17.368 1.00 7.98 C ATOM 1168 OG1 THR A 121 4.481 -21.708 16.748 1.00 7.88 O ATOM 1169 CG2 THR A 121 4.356 -20.575 18.833 1.00 9.49 C ATOM 1170 HG1 THR A 121 3.658 -22.218 16.954 1.00 0.00 H ATOM 1171 H THR A 121 1.965 -21.450 17.037 1.00 0.00 H ATOM 1172 N ALA A 122 2.566 -20.023 14.459 1.00 7.17 N ATOM 1173 CA ALA A 122 2.758 -19.914 13.020 1.00 7.48 C ATOM 1174 C ALA A 122 2.342 -18.554 12.514 1.00 7.23 C ATOM 1175 O ALA A 122 1.233 -18.099 12.804 1.00 8.71 O ATOM 1176 CB ALA A 122 1.952 -21.006 12.325 1.00 8.69 C ATOM 1177 H ALA A 122 1.759 -20.573 14.816 1.00 0.00 H ATOM 1178 N VAL A 123 3.203 -17.950 11.703 1.00 6.84 N ATOM 1179 CA VAL A 123 2.958 -16.659 11.101 1.00 6.59 C ATOM 1180 C VAL A 123 3.240 -16.789 9.628 1.00 6.32 C ATOM 1181 O VAL A 123 4.378 -17.026 9.194 1.00 7.38 O ATOM 1182 CB VAL A 123 3.800 -15.520 11.727 1.00 7.89 C ATOM 1183 CG1 VAL A 123 3.405 -14.223 11.088 1.00 9.31 C ATOM 1184 CG2 VAL A 123 3.637 -15.511 13.242 1.00 9.69 C ATOM 1185 H VAL A 123 4.100 -18.431 11.490 1.00 0.00 H ATOM 1186 N CYS A 124 2.195 -16.623 8.812 1.00 6.06 N ATOM 1187 CA CYS A 124 2.271 -16.675 7.362 1.00 5.86 C ATOM 1188 C CYS A 124 2.042 -15.303 6.777 1.00 5.34 C ATOM 1189 O CYS A 124 1.176 -14.562 7.244 1.00 5.99 O ATOM 1190 CB CYS A 124 1.207 -17.665 6.894 1.00 6.14 C ATOM 1191 SG CYS A 124 0.744 -17.544 5.150 1.00 5.83 S ATOM 1192 H CYS A 124 1.266 -16.445 9.243 1.00 0.00 H ATOM 1193 N THR A 125 2.819 -14.961 5.739 1.00 5.57 N ATOM 1194 CA THR A 125 2.623 -13.720 5.028 1.00 6.40 C ATOM 1195 C THR A 125 2.358 -14.004 3.579 1.00 6.97 C ATOM 1196 O THR A 125 3.236 -14.626 2.919 1.00 8.14 O ATOM 1197 CB THR A 125 3.884 -12.827 5.202 1.00 9.03 C ATOM 1198 OG1 THR A 125 4.265 -12.730 6.591 1.00 10.67 O ATOM 1199 CG2 THR A 125 3.724 -11.481 4.599 1.00 10.68 C ATOM 1200 HG1 THR A 125 4.466 -13.634 6.941 1.00 0.00 H ATOM 1201 H THR A 125 3.580 -15.604 5.440 1.00 0.00 H ATOM 1202 N ARG A 126 1.219 -13.546 3.063 1.00 6.25 N ATOM 1203 CA ARG A 126 0.868 -13.680 1.694 1.00 7.23 C ATOM 1204 C ARG A 126 0.641 -12.341 1.061 1.00 7.37 C ATOM 1205 O ARG A 126 0.008 -11.443 1.631 1.00 11.08 O ATOM 1206 CB ARG A 126 -0.377 -14.516 1.599 1.00 8.03 C ATOM 1207 CG ARG A 126 -0.015 -15.968 1.855 1.00 7.87 C ATOM 1208 CD ARG A 126 -1.151 -16.865 2.199 1.00 7.99 C ATOM 1209 NE ARG A 126 -2.136 -17.146 1.182 1.00 6.65 N ATOM 1210 CZ ARG A 126 -2.052 -18.137 0.286 1.00 6.43 C ATOM 1211 NH1 ARG A 126 -0.914 -18.821 0.091 1.00 7.17 N ATOM 1212 NH2 ARG A 126 -3.078 -18.451 -0.491 1.00 7.53 N ATOM 1213 HE ARG A 126 -2.974 -16.532 1.142 1.00 0.00 H ATOM 1214 HH12 ARG A 126 -0.881 -19.586 -0.613 1.00 0.00 H ATOM 1215 HH11 ARG A 126 -0.065 -18.586 0.644 1.00 0.00 H ATOM 1216 HH22 ARG A 126 -2.991 -19.225 -1.180 1.00 0.00 H ATOM 1217 HH21 ARG A 126 -3.971 -17.924 -0.412 1.00 0.00 H ATOM 1218 H ARG A 126 0.550 -13.064 3.697 1.00 0.00 H ATOM 1219 N THR A 127 1.204 -12.174 -0.115 1.00 6.08 N ATOM 1220 CA THR A 127 1.162 -10.889 -0.801 1.00 6.02 C ATOM 1221 C THR A 127 0.268 -11.006 -2.023 1.00 5.61 C ATOM 1222 O THR A 127 0.432 -11.925 -2.819 1.00 6.42 O ATOM 1223 CB THR A 127 2.580 -10.466 -1.247 1.00 8.09 C ATOM 1224 OG1 THR A 127 3.448 -10.422 -0.122 1.00 10.04 O ATOM 1225 CG2 THR A 127 2.584 -9.116 -1.890 1.00 9.75 C ATOM 1226 HG1 THR A 127 3.490 -11.318 0.296 1.00 0.00 H ATOM 1227 H THR A 127 1.690 -12.976 -0.565 1.00 0.00 H ATOM 1228 N TYR A 128 -0.629 -10.025 -2.138 1.00 6.26 N ATOM 1229 CA TYR A 128 -1.543 -9.930 -3.261 1.00 6.66 C ATOM 1230 C TYR A 128 -1.292 -8.639 -4.014 1.00 7.13 C ATOM 1231 O TYR A 128 -1.003 -7.607 -3.422 1.00 8.18 O ATOM 1232 CB TYR A 128 -2.993 -9.935 -2.720 1.00 7.49 C ATOM 1233 CG TYR A 128 -3.527 -11.289 -2.280 1.00 6.69 C ATOM 1234 CD1 TYR A 128 -3.244 -11.856 -1.051 1.00 7.31 C ATOM 1235 CD2 TYR A 128 -4.320 -12.005 -3.156 1.00 7.25 C ATOM 1236 CE1 TYR A 128 -3.785 -13.138 -0.715 1.00 6.73 C ATOM 1237 CE2 TYR A 128 -4.824 -13.258 -2.857 1.00 7.28 C ATOM 1238 CZ TYR A 128 -4.542 -13.806 -1.650 1.00 6.70 C ATOM 1239 OH TYR A 128 -5.074 -15.052 -1.381 1.00 7.93 O ATOM 1240 HH TYR A 128 -4.797 -15.339 -0.475 1.00 0.00 H ATOM 1241 H TYR A 128 -0.675 -9.300 -1.394 1.00 0.00 H ATOM 1242 N GLU A 129 -1.470 -8.699 -5.344 1.00 7.58 N ATOM 1243 CA GLU A 129 -1.330 -7.524 -6.178 1.00 8.32 C ATOM 1244 C GLU A 129 -2.663 -7.250 -6.880 1.00 8.35 C ATOM 1245 O GLU A 129 -3.381 -8.158 -7.224 1.00 10.07 O ATOM 1246 CB GLU A 129 -0.234 -7.711 -7.199 1.00 11.87 C ATOM 1247 CG GLU A 129 1.144 -7.315 -6.603 1.00 13.08 C ATOM 1248 CD GLU A 129 2.320 -7.558 -7.556 1.00 31.93 C ATOM 1249 OE1 GLU A 129 2.104 -7.983 -8.710 1.00 31.07 O ATOM 1250 OE2 GLU A 129 3.420 -7.388 -7.031 1.00 25.37 O ATOM 1251 H GLU A 129 -1.714 -9.609 -5.784 1.00 0.00 H ATOM 1252 N LYS A 130 -2.953 -5.967 -7.018 1.00 9.49 N ATOM 1253 CA LYS A 130 -4.232 -5.535 -7.540 1.00 11.22 C ATOM 1254 C LYS A 130 -4.351 -5.832 -9.022 1.00 13.35 C ATOM 1255 O LYS A 130 -3.460 -5.514 -9.779 1.00 19.09 O ATOM 1256 CB LYS A 130 -4.494 -4.053 -7.243 1.00 16.17 C ATOM 1257 CG LYS A 130 -5.876 -3.530 -7.792 1.00 28.44 C ATOM 1258 CD LYS A 130 -7.248 -4.195 -7.383 1.00 41.24 C ATOM 1259 CE LYS A 130 -8.690 -3.723 -8.013 1.00 31.42 C ATOM 1260 NZ LYS A 130 -9.628 -4.482 -8.902 1.00 18.02 N ATOM 1261 HZ1 LYS A 130 -9.140 -4.733 -9.785 1.00 0.00 H ATOM 1262 HZ2 LYS A 130 -9.938 -5.348 -8.417 1.00 0.00 H ATOM 1263 HZ3 LYS A 130 -10.455 -3.889 -9.118 1.00 0.00 H ATOM 1264 H LYS A 130 -2.247 -5.253 -6.746 1.00 0.00 H ATOM 1265 N GLU A 131 -5.454 -6.433 -9.406 1.00 11.82 N ATOM 1266 CA GLU A 131 -5.911 -6.577 -10.801 1.00 13.39 C ATOM 1267 C GLU A 131 -6.786 -5.373 -11.241 1.00 14.03 C ATOM 1268 O GLU A 131 -7.593 -4.852 -10.464 1.00 19.63 O ATOM 1269 CB GLU A 131 -6.763 -7.900 -10.949 1.00 21.64 C ATOM 1270 CG GLU A 131 -7.210 -8.317 -12.353 1.00 29.50 C ATOM 1271 CD GLU A 131 -8.478 -9.202 -12.461 1.00 32.36 C ATOM 1272 OE1 GLU A 131 -8.288 -10.391 -12.543 1.00 42.44 O ATOM 1273 OE2 GLU A 131 -9.624 -8.610 -12.458 1.00 50.40 O ATOM 1274 H GLU A 131 -6.056 -6.842 -8.663 1.00 0.00 H ATOM 1275 N ALA A 132 -6.563 -4.942 -12.452 1.00 12.12 N ATOM 1276 CA ALA A 132 -7.192 -3.804 -13.089 1.00 15.71 C ATOM 1277 C ALA A 132 -8.604 -4.089 -13.315 1.00 19.64 C ATOM 1278 O ALA A 132 -9.425 -3.084 -13.434 1.00 17.77 O ATOM 1279 CB ALA A 132 -6.565 -3.449 -14.458 1.00 20.59 C ATOM 1280 OXT ALA A 132 -9.031 -5.200 -13.618 1.00 24.46 O ATOM 1281 H ALA A 132 -5.865 -5.468 -13.015 1.00 0.00 H TER 1282 ALA A 132 HETATM 1283 O HOH 1 5.562 -23.444 5.811 1.00 6.12 O HETATM 1284 O HOH 2 -17.649 0.111 6.563 1.00 25.62 O HETATM 1285 O HOH 3 -17.822 -9.753 -7.374 1.00 23.18 O HETATM 1286 O HOH 4 -25.204 -0.218 9.427 1.00 25.96 O HETATM 1287 O HOH 5 -19.014 -1.841 7.945 1.00 18.98 O HETATM 1288 O HOH 6 -10.188 2.186 13.038 1.00 8.80 O HETATM 1289 O HOH 7 -10.070 -12.152 -11.998 1.00 24.00 O HETATM 1290 O HOH 8 6.895 -14.298 -5.029 1.00 10.55 O HETATM 1291 O HOH 9 4.194 -30.053 6.059 1.00 11.15 O HETATM 1292 O HOH 10 2.555 -21.741 -1.454 1.00 11.21 O HETATM 1293 O HOH 11 3.054 -28.832 2.277 1.00 11.59 O HETATM 1294 O HOH 12 -18.484 -14.977 20.449 1.00 30.79 O HETATM 1295 O HOH 13 -22.829 -12.838 7.312 1.00 9.83 O HETATM 1296 O HOH 14 -7.232 -17.192 -8.905 1.00 15.46 O HETATM 1297 O HOH 15 6.162 -26.135 6.235 1.00 16.42 O HETATM 1298 O HOH 16 -5.127 0.492 -2.614 1.00 25.77 O HETATM 1299 O HOH 17 3.548 -20.385 1.797 1.00 6.39 O HETATM 1300 O HOH 18 9.505 -15.055 -1.824 1.00 6.58 O HETATM 1301 O HOH 19 -16.636 -18.942 4.256 1.00 6.77 O HETATM 1302 O HOH 20 -24.913 -18.436 15.899 1.00 12.86 O HETATM 1303 O HOH 21 4.580 -19.640 -8.879 1.00 9.36 O HETATM 1304 O HOH 22 -22.074 -13.332 1.088 1.00 13.95 O HETATM 1305 O HOH 23 -0.941 -4.169 -6.208 1.00 13.98 O HETATM 1306 O HOH 24 -25.335 0.302 4.938 1.00 30.22 O HETATM 1307 O HOH 25 -20.656 -1.197 12.407 1.00 28.87 O HETATM 1308 O HOH 26 -13.014 -14.873 -9.870 1.00 15.56 O HETATM 1309 O HOH 27 3.651 -23.968 18.067 1.00 10.83 O HETATM 1310 O HOH 28 -21.594 -12.463 20.778 1.00 17.71 O HETATM 1311 O HOH 29 -21.179 -6.242 0.295 1.00 7.46 O HETATM 1312 O HOH 30 -20.999 -5.318 17.402 1.00 20.66 O HETATM 1313 O HOH 31 9.090 -18.761 4.612 1.00 7.48 O HETATM 1314 O HOH 32 -11.184 -16.494 22.792 1.00 16.31 O HETATM 1315 O HOH 33 -0.778 0.861 9.066 1.00 28.49 O HETATM 1316 O HOH 34 -21.037 -17.859 2.806 1.00 5.28 O HETATM 1317 O HOH 35 -19.974 -20.358 13.324 1.00 13.73 O HETATM 1318 O HOH 36 -2.813 -1.336 15.190 1.00 19.94 O HETATM 1319 O HOH 37 -16.997 -22.304 0.944 1.00 15.14 O HETATM 1320 O HOH 38 3.163 -22.521 -9.685 1.00 9.84 O HETATM 1321 O HOH 39 -1.255 -3.831 -9.620 1.00 34.58 O HETATM 1322 O HOH 40 -13.143 -9.691 -10.194 1.00 16.01 O HETATM 1323 O HOH 41 1.530 -22.953 15.780 1.00 10.26 O HETATM 1324 O HOH 42 -22.335 -11.781 -3.336 1.00 8.14 O HETATM 1325 O HOH 43 -6.300 1.882 5.469 1.00 38.67 O HETATM 1326 O HOH 44 -15.169 -13.818 22.748 1.00 30.84 O HETATM 1327 O HOH 45 -23.372 -10.236 11.491 1.00 8.44 O HETATM 1328 O HOH 46 1.867 -12.752 14.519 1.00 11.64 O HETATM 1329 O HOH 47 -23.960 -20.485 17.448 1.00 25.61 O HETATM 1330 O HOH 48 3.373 -28.616 -0.435 1.00 9.74 O HETATM 1331 O HOH 49 -9.848 -18.332 24.451 1.00 19.16 O HETATM 1332 O HOH 50 -1.412 -16.856 18.152 1.00 22.04 O HETATM 1333 O HOH 51 -13.002 -20.066 -8.683 1.00 21.87 O HETATM 1334 O HOH 52 -19.672 -16.041 6.821 1.00 8.30 O HETATM 1335 O HOH 53 -9.473 -26.148 21.125 1.00 26.82 O HETATM 1336 O HOH 54 6.381 -18.427 12.983 1.00 40.88 O HETATM 1337 O HOH 55 -20.248 -8.220 -3.418 1.00 46.00 O HETATM 1338 O HOH 56 -3.099 -0.655 5.435 1.00 14.75 O HETATM 1339 O HOH 57 5.584 -11.513 -7.008 1.00 17.76 O HETATM 1340 O HOH 58 -20.703 -21.509 10.847 1.00 15.52 O HETATM 1341 O HOH 59 -19.067 5.036 -0.684 1.00 27.93 O HETATM 1342 O HOH 60 -14.744 -24.703 -1.854 1.00 21.21 O HETATM 1343 O HOH 61 -20.529 -8.005 17.644 1.00 14.43 O HETATM 1344 O HOH 62 -27.761 -4.291 7.280 1.00 27.13 O HETATM 1345 O HOH 63 -14.860 -3.453 -5.107 1.00 12.57 O HETATM 1346 O HOH 64 -18.784 -18.491 5.986 1.00 6.55 O HETATM 1347 O HOH 65 -16.709 -18.100 -3.542 1.00 9.89 O HETATM 1348 O HOH 66 -7.843 2.531 11.534 1.00 10.36 O HETATM 1349 O HOH 67 -11.431 -7.719 14.481 1.00 18.60 O HETATM 1350 O HOH 68 -21.320 -14.566 5.082 1.00 9.52 O HETATM 1351 O HOH 69 9.570 -18.192 9.689 1.00 68.79 O HETATM 1352 O HOH 70 -22.930 -9.828 -1.261 1.00 10.18 O HETATM 1353 O HOH 71 -3.912 -16.161 -9.612 1.00 28.41 O HETATM 1354 O HOH 72 0.636 -37.080 -2.145 1.00 31.36 O HETATM 1355 O HOH 73 -25.685 -3.568 12.979 1.00 66.85 O HETATM 1356 O HOH 74 -6.531 -20.523 -8.465 1.00 17.96 O HETATM 1357 O HOH 75 5.498 -20.105 11.013 1.00 17.88 O HETATM 1358 O HOH 76 -21.498 -3.918 -4.062 1.00 13.10 O HETATM 1359 O HOH 77 -13.600 -23.197 -8.829 1.00 29.39 O HETATM 1360 O HOH 78 5.982 -30.029 8.086 1.00 25.19 O HETATM 1361 O HOH 79 -12.323 -12.321 23.205 1.00 21.75 O HETATM 1362 O HOH 80 -25.364 -1.303 11.978 1.00 13.10 O HETATM 1363 O HOH 81 -16.687 -23.204 3.492 1.00 48.02 O HETATM 1364 O HOH 82 9.684 -21.324 8.588 1.00 34.33 O HETATM 1365 O HOH 83 -27.689 -6.079 8.699 1.00 29.67 O HETATM 1366 O HOH 84 3.587 -23.936 14.093 1.00 13.33 O HETATM 1367 O HOH 85 -13.032 -1.676 -6.390 1.00 16.35 O HETATM 1368 O HOH 86 2.515 -22.896 1.039 1.00 12.43 O HETATM 1369 O HOH 87 -4.599 -36.062 6.316 1.00 28.83 O HETATM 1370 O HOH 88 8.422 -15.040 7.692 1.00 37.81 O HETATM 1371 O HOH 89 1.102 -23.438 19.159 1.00 28.97 O HETATM 1372 O HOH 90 2.118 -0.110 9.557 1.00 32.10 O HETATM 1373 O HOH 91 -21.381 -6.066 -2.439 1.00 12.11 O HETATM 1374 O HOH 92 4.028 -25.723 16.169 1.00 37.12 O HETATM 1375 O HOH 93 -20.268 -10.125 21.505 1.00 27.52 O HETATM 1376 O HOH 94 -25.746 -9.331 12.608 1.00 25.79 O HETATM 1377 O HOH 95 -13.444 0.906 -5.162 1.00 9.91 O HETATM 1378 O HOH 96 10.889 -16.041 8.350 1.00 29.66 O HETATM 1379 O HOH 97 9.407 -13.976 10.260 1.00 23.53 O HETATM 1380 O HOH 98 -5.560 -25.730 -7.140 1.00 18.31 O HETATM 1381 O HOH 99 -0.265 1.467 -0.249 1.00 29.08 O HETATM 1382 O HOH 100 -8.354 -18.804 8.918 1.00 6.72 O HETATM 1383 O HOH 101 -8.502 -27.358 9.992 1.00 14.38 O HETATM 1384 O HOH 102 -4.836 -35.210 3.711 1.00 22.39 O HETATM 1385 O HOH 103 -0.873 -12.508 -10.969 1.00 32.78 O HETATM 1386 O HOH 104 -6.615 -33.273 3.507 1.00 23.33 O HETATM 1387 O HOH 105 6.477 -11.277 2.446 1.00 15.53 O HETATM 1388 O HOH 106 4.325 -12.699 1.142 1.00 8.61 O HETATM 1389 O HOH 107 -8.114 -26.130 14.078 1.00 28.10 O HETATM 1390 O HOH 108 -9.322 -29.082 8.129 1.00 24.14 O HETATM 1391 O HOH 109 2.835 -25.563 12.046 1.00 13.02 O HETATM 1392 O HOH 110 1.706 -27.823 13.441 1.00 24.44 O HETATM 1393 O HOH 111 -1.449 -14.921 -9.310 1.00 15.60 O HETATM 1394 O HOH 112 -15.262 -26.358 13.634 1.00 20.99 O HETATM 1395 O HOH 113 -13.622 -15.427 1.274 1.00 7.46 O HETATM 1396 O HOH 114 -13.171 -15.532 3.905 1.00 7.36 O HETATM 1397 O HOH 115 -14.080 -17.987 4.974 1.00 6.83 O HETATM 1398 O HOH 116 -11.714 -19.393 4.838 1.00 6.19 O HETATM 1399 O HOH 117 -10.388 -18.139 6.923 1.00 10.87 O HETATM 1400 O HOH 118 -14.141 -13.329 16.548 1.00 10.01 O HETATM 1401 O HOH 119 -15.867 -11.939 18.175 1.00 18.64 O HETATM 1402 O HOH 120 -3.643 -18.815 18.128 1.00 14.85 O HETATM 1403 O HOH 121 5.527 -14.969 7.625 1.00 18.23 O HETATM 1404 O HOH 122 -2.083 -12.213 11.904 1.00 7.52 O HETATM 1405 O HOH 123 -0.531 -9.999 12.463 1.00 19.67 O HETATM 1406 O HOH 124 3.758 -10.427 7.945 1.00 13.88 O HETATM 1407 O HOH 125 -6.043 -11.042 0.846 1.00 9.78 O HETATM 1408 O HOH 126 -7.289 -13.385 0.774 1.00 8.22 O HETATM 1409 O HOH 127 -0.394 -7.913 7.235 1.00 9.91 O HETATM 1410 O HOH 128 -10.220 -26.997 14.930 1.00 27.09 O HETATM 1411 O HOH 129 -8.317 -9.087 7.092 1.00 6.85 O HETATM 1412 O HOH 130 -10.235 -13.104 5.606 1.00 10.92 O HETATM 1413 O HOH 131 -10.493 -15.724 4.875 1.00 6.59 O HETATM 1414 O HOH 132 -17.282 -8.016 11.401 1.00 6.07 O HETATM 1415 O HOH 133 -9.457 -16.127 2.272 1.00 7.87 O HETATM 1416 O HOH 134 -10.811 -18.627 2.369 1.00 7.20 O HETATM 1417 O HOH 135 -17.483 -21.359 16.869 1.00 28.13 O HETATM 1418 O HOH 136 -5.578 -20.753 19.183 1.00 16.18 O HETATM 1419 O HOH 137 6.331 -12.799 14.113 1.00 51.47 O HETATM 1420 O HOH 138 0.499 -22.767 -9.321 1.00 19.15 O HETATM 1421 O HOH 139 0.021 -20.887 -1.583 1.00 15.24 O HETATM 1422 O HOH 140 -21.248 -8.660 10.472 1.00 7.07 O HETATM 1423 O HOH 141 -14.158 -20.144 21.073 1.00 16.06 O HETATM 1424 O HOH 142 -11.974 -18.613 21.134 1.00 11.69 O HETATM 1425 O HOH 143 -3.139 -20.893 -1.847 1.00 12.23 O HETATM 1426 O HOH 144 -4.006 -21.517 -8.819 1.00 20.59 O HETATM 1427 O HOH 145 -16.144 -19.333 19.357 1.00 20.56 O HETATM 1428 O HOH 146 -26.785 -5.685 10.786 1.00 43.58 O HETATM 1429 O HOH 147 5.232 -26.390 11.051 1.00 27.81 O HETATM 1430 O HOH 148 -7.858 -31.275 6.050 1.00 47.43 O HETATM 1431 O HOH 149 -20.161 -21.784 15.743 1.00 32.19 O HETATM 1432 O HOH 150 -16.559 -24.908 16.030 1.00 37.65 O HETATM 1433 O HOH 151 -16.536 -23.089 19.051 1.00 22.91 O HETATM 1434 O HOH 152 5.430 -8.704 6.431 1.00 44.22 O HETATM 1435 O HOH 153 -2.884 -12.986 16.233 1.00 65.93 O HETATM 1436 O HOH 154 1.578 -6.002 6.920 1.00 12.98 O HETATM 1437 O HOH 155 -0.476 -5.621 12.654 1.00 37.41 O HETATM 1438 O HOH 156 -4.218 -15.220 16.796 1.00 40.11 O HETATM 1439 O HOH 157 -0.568 -25.354 16.784 1.00 34.74 O HETATM 1440 O HOH 158 3.205 1.873 1.762 1.00 29.59 O HETATM 1441 O HOH 159 3.734 -10.955 13.046 1.00 28.47 O HETATM 1442 O HOH 160 5.810 -8.801 0.129 1.00 29.63 O HETATM 1443 O HOH 161 -1.065 -9.828 -10.638 1.00 34.12 O HETATM 1444 O HOH 162 -19.013 -8.985 19.467 1.00 28.69 O HETATM 1445 O HOH 163 12.501 -16.189 10.012 1.00 30.01 O HETATM 1446 O HOH 164 -11.488 -28.147 10.412 1.00 32.35 O HETATM 1447 O HOH 165 -9.981 -30.154 2.102 1.00 34.96 O HETATM 1448 C1 MYR A 166 -5.740 -16.524 1.676 1.00 0.03 C HETATM 1449 O1 MYR A 166 -6.818 -15.874 1.594 1.00 -0.57 O HETATM 1450 O2 MYR A 166 -4.732 -16.275 0.920 1.00 -0.57 O HETATM 1451 C2 MYR A 166 -5.573 -17.619 2.666 1.00 0.00 C HETATM 1452 C3 MYR A 166 -6.797 -18.039 3.426 1.00 -0.04 C HETATM 1453 C4 MYR A 166 -6.611 -19.194 4.379 1.00 -0.05 C HETATM 1454 C5 MYR A 166 -7.917 -19.705 4.984 1.00 -0.05 C HETATM 1455 C6 MYR A 166 -7.730 -20.774 6.051 1.00 -0.05 C HETATM 1456 C7 MYR A 166 -6.913 -21.974 5.678 1.00 -0.05 C HETATM 1457 C8 MYR A 166 -7.508 -22.738 4.515 1.00 -0.05 C HETATM 1458 C9 MYR A 166 -6.584 -23.851 4.048 1.00 -0.05 C HETATM 1459 C10 MYR A 166 -7.125 -24.683 2.978 1.00 -0.04 C HETATM 1460 C11 MYR A 166 -7.464 -24.131 1.727 1.00 -0.10 C HETATM 1461 C12 MYR A 166 -6.607 -23.116 1.227 1.00 -0.10 C HETATM 1462 C13 MYR A 166 -6.702 -22.815 -0.243 1.00 -0.04 C HETATM 1463 C14 MYR A 166 -7.031 -21.384 -0.552 1.00 -0.06 C HETATM 1464 H23 MYR A 166 -7.082 -21.247 -1.642 1.00 0.02 H HETATM 1465 H24 MYR A 166 -6.250 -20.730 -0.136 1.00 0.02 H HETATM 1466 H25 MYR A 166 -8.002 -21.126 -0.104 1.00 0.02 H HETATM 1467 H21 MYR A 166 -7.487 -23.452 -0.677 1.00 0.04 H HETATM 1468 H22 MYR A 166 -5.735 -23.056 -0.709 1.00 0.04 H HETATM 1469 H20 MYR A 166 -5.915 -22.582 1.876 1.00 0.04 H HETATM 1470 H19 MYR A 166 -8.339 -24.466 1.172 1.00 0.04 H HETATM 1471 H17 MYR A 166 -8.042 -25.144 3.374 1.00 0.04 H HETATM 1472 H18 MYR A 166 -6.377 -25.465 2.782 1.00 0.04 H HETATM 1473 H15 MYR A 166 -6.366 -24.499 4.909 1.00 0.03 H HETATM 1474 H16 MYR A 166 -5.651 -23.393 3.688 1.00 0.03 H HETATM 1475 H13 MYR A 166 -7.679 -22.042 3.680 1.00 0.03 H HETATM 1476 H14 MYR A 166 -8.466 -23.177 4.829 1.00 0.03 H HETATM 1477 H11 MYR A 166 -6.853 -22.645 6.548 1.00 0.03 H HETATM 1478 H12 MYR A 166 -5.902 -21.641 5.402 1.00 0.03 H HETATM 1479 H9 MYR A 166 -8.729 -21.131 6.342 1.00 0.03 H HETATM 1480 H10 MYR A 166 -7.244 -20.298 6.916 1.00 0.03 H HETATM 1481 H7 MYR A 166 -8.531 -20.128 4.175 1.00 0.03 H HETATM 1482 H8 MYR A 166 -8.445 -18.853 5.437 1.00 0.03 H HETATM 1483 H5 MYR A 166 -5.953 -18.867 5.198 1.00 0.03 H HETATM 1484 H6 MYR A 166 -6.133 -20.021 3.833 1.00 0.03 H HETATM 1485 H3 MYR A 166 -7.567 -18.325 2.695 1.00 0.03 H HETATM 1486 H4 MYR A 166 -7.147 -17.174 4.008 1.00 0.03 H HETATM 1487 H1 MYR A 166 -4.822 -17.292 3.400 1.00 0.04 H HETATM 1488 H2 MYR A 166 -5.198 -18.501 2.126 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1448 1449 1450 1451 CONECT 1449 1448 CONECT 1450 1448 CONECT 1451 1448 1452 1487 1488 CONECT 1452 1451 1453 1485 1486 CONECT 1453 1452 1454 1483 1484 CONECT 1454 1453 1455 1481 1482 CONECT 1455 1454 1456 1479 1480 CONECT 1456 1455 1457 1477 1478 CONECT 1457 1456 1458 1475 1476 CONECT 1458 1457 1459 1473 1474 CONECT 1459 1458 1460 1471 1472 CONECT 1460 1459 1461 1470 CONECT 1461 1460 1462 1469 CONECT 1462 1461 1463 1467 1468 CONECT 1463 1462 1464 1465 1466 CONECT 1464 1463 CONECT 1465 1463 CONECT 1466 1463 CONECT 1467 1462 CONECT 1468 1462 CONECT 1469 1461 CONECT 1470 1460 CONECT 1471 1459 CONECT 1472 1459 CONECT 1473 1458 CONECT 1474 1458 CONECT 1475 1457 CONECT 1476 1457 CONECT 1477 1456 CONECT 1478 1456 CONECT 1479 1455 CONECT 1480 1455 CONECT 1481 1454 CONECT 1482 1454 CONECT 1483 1453 CONECT 1484 1453 CONECT 1485 1452 CONECT 1486 1452 CONECT 1487 1451 CONECT 1488 1451 MASTER 0 0 0 0 0 0 0 0 1487 1 45 11 END
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Structure:
Ligand 2D
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Related entries of code: 4tkh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1hmr
RCSB PDB
PDBbind
132aa, >1HMR_1|Chain... at 100%
1hms
RCSB PDB
PDBbind
132aa, >1HMS_1|Chain... at 100%
1hmt
RCSB PDB
PDBbind
132aa, >1HMT_1|Chain... at 100%
2hmb
RCSB PDB
PDBbind
132aa, >2HMB_1|Chain... at 100%
3wvm
RCSB PDB
PDBbind
133aa, >3WVM_1|Chain... at 100%
4tjz
RCSB PDB
PDBbind
133aa, >4TJZ_1|Chain... at 100%
4tkb
RCSB PDB
PDBbind
133aa, >4TKB_1|Chain... at 100%
4tkj
RCSB PDB
PDBbind
133aa, >4TKJ_1|Chain... at 100%
5hz9
RCSB PDB
PDBbind
135aa, >5HZ9_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3uev
RCSB PDB
PDBbind
MYR
3usx
RCSB PDB
PDBbind
MYR
3v2n
RCSB PDB
PDBbind
MYR
3w9k
RCSB PDB
PDBbind
MYR
Entry Information
PDB ID
4tkh
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human heart fatty acid-binding protein
Ligand Name
MYR
EC.Number
E.C.-.-.-.-
Resolution
0.93(Å)
Affinity (Kd/Ki/IC50)
Kd=1.84uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Angew.Chem.Int.Ed.Engl. Vol. 54: pp. 1508-1511
Ligand Properties
Formula
C
1
4
H
2
6
O
2
Molecular Weight
226.355
Exact Mass
226.193
No. of atoms
42
No. of bonds
41
Polar Surface Area
37.3
LOGP Value
6.54 (
Computed with XLOGP3
)
4.55 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
Canonical SMILES
CC/C=C/CCCCCCCCCC(=O)O
InChI String
InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h3-4H,2,5-13H2,1H3,(H,15,16)/b4-3+
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):
P05413
Entrez Gene ID
NCBI Entrez Gene ID:
2170
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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