Browse entries in the PDBbind-CN Database
HEADER 2WA8_COMPLEX COMPND 2WA8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 88 ARG ASP ALA LEU LYS PRO PRO SER MET TYR LYS VAL ILE SEQRES 2 A 88 LEU VAL ASN ASP ASP TYR THR PRO MET GLU PHE VAL ILE SEQRES 3 A 88 ASP VAL LEU GLN LYS PHE PHE SER TYR ASP VAL GLU ARG SEQRES 4 A 88 ALA THR GLN LEU MET LEU ALA VAL HIS TYR GLN GLY LYS SEQRES 5 A 88 ALA ILE CYS GLY VAL PHE THR ALA GLU VAL ALA GLU THR SEQRES 6 A 88 LYS VAL ALA MET VAL ASN LYS TYR ALA ARG GLU ASN GLU SEQRES 7 A 88 HIS PRO LEU LEU CYS THR LEU GLU LYS ALA HET PHE A 137 170 ATOM 1 N ARG A 19 46.025 44.194 1.320 1.00 78.44 N ATOM 2 CA ARG A 19 46.483 45.246 2.219 1.00 87.22 C ATOM 3 C ARG A 19 46.628 44.712 3.643 1.00 88.06 C ATOM 4 O ARG A 19 46.520 43.507 3.885 1.00 83.39 O ATOM 5 CB ARG A 19 45.499 46.419 2.220 1.00 85.76 C ATOM 6 CG ARG A 19 44.526 46.439 1.046 1.00 76.13 C ATOM 7 CD ARG A 19 43.130 46.809 1.540 1.00 75.15 C ATOM 8 NE ARG A 19 42.088 46.601 0.535 1.00 83.24 N ATOM 9 CZ ARG A 19 40.830 46.259 0.818 1.00 88.72 C ATOM 10 NH1 ARG A 19 39.948 46.099 -0.165 1.00 89.30 N ATOM 11 NH2 ARG A 19 40.452 46.065 2.080 1.00 73.58 N ATOM 12 HA ARG A 19 47.454 45.590 1.863 1.00 0.00 H ATOM 13 HB2 ARG A 19 44.918 46.374 3.141 1.00 0.00 H ATOM 14 HB3 ARG A 19 46.074 47.345 2.200 1.00 0.00 H ATOM 15 HG2 ARG A 19 44.858 47.174 0.313 1.00 0.00 H ATOM 16 HG3 ARG A 19 44.497 45.453 0.582 1.00 0.00 H ATOM 17 HD2 ARG A 19 43.131 47.861 1.826 1.00 0.00 H ATOM 18 HD3 ARG A 19 42.898 46.197 2.412 1.00 0.00 H ATOM 19 HE ARG A 19 42.344 46.728 -0.465 1.00 0.00 H ATOM 20 HH12 ARG A 19 38.967 45.832 0.055 1.00 0.00 H ATOM 21 HH11 ARG A 19 40.239 46.241 -1.153 1.00 0.00 H ATOM 22 HH22 ARG A 19 39.470 45.799 2.293 1.00 0.00 H ATOM 23 HH21 ARG A 19 41.139 46.180 2.852 1.00 0.00 H ATOM 24 HN3 ARG A 19 45.102 43.841 1.643 1.00 0.00 H ATOM 25 HN2 ARG A 19 46.715 43.415 1.320 1.00 0.00 H ATOM 26 HN1 ARG A 19 45.933 44.578 0.358 1.00 0.00 H ATOM 27 N ASP A 20 46.875 45.625 4.579 1.00 94.41 N ATOM 28 CA ASP A 20 46.970 45.306 6.010 1.00 94.15 C ATOM 29 C ASP A 20 48.310 44.665 6.436 1.00100.60 C ATOM 30 O ASP A 20 49.368 45.033 5.913 1.00103.91 O ATOM 31 CB ASP A 20 45.770 44.466 6.463 1.00 96.44 C ATOM 32 CG ASP A 20 45.192 44.939 7.787 1.00 99.36 C ATOM 33 OD1 ASP A 20 45.117 44.122 8.733 1.00 89.72 O ATOM 34 OD2 ASP A 20 44.821 46.132 7.884 1.00 98.24 O ATOM 35 HA ASP A 20 46.945 46.265 6.528 1.00 0.00 H ATOM 36 HB2 ASP A 20 44.993 44.527 5.701 1.00 0.00 H ATOM 37 HB3 ASP A 20 46.090 43.430 6.572 1.00 0.00 H ATOM 38 H ASP A 20 47.007 46.613 4.283 1.00 0.00 H ATOM 39 N ALA A 21 48.267 43.719 7.379 1.00101.61 N ATOM 40 CA ALA A 21 49.499 43.179 7.990 1.00 97.58 C ATOM 41 C ALA A 21 49.583 41.628 8.105 1.00 91.17 C ATOM 42 O ALA A 21 49.161 40.919 7.195 1.00 90.89 O ATOM 43 CB ALA A 21 49.752 43.844 9.348 1.00 85.86 C ATOM 44 HA ALA A 21 50.292 43.432 7.286 1.00 0.00 H ATOM 45 HB1 ALA A 21 49.864 44.919 9.209 1.00 0.00 H ATOM 46 HB2 ALA A 21 48.909 43.647 10.010 1.00 0.00 H ATOM 47 HB3 ALA A 21 50.663 43.436 9.787 1.00 0.00 H ATOM 48 H ALA A 21 47.344 43.354 7.690 1.00 0.00 H ATOM 49 N LEU A 22 50.137 41.118 9.213 1.00 86.39 N ATOM 50 CA LEU A 22 50.430 39.680 9.377 1.00 75.85 C ATOM 51 C LEU A 22 50.360 39.197 10.847 1.00 70.91 C ATOM 52 O LEU A 22 49.664 39.843 11.644 1.00 66.91 O ATOM 53 CB LEU A 22 51.796 39.386 8.771 1.00 69.12 C ATOM 54 CG LEU A 22 51.861 38.029 8.081 1.00 69.12 C ATOM 55 CD1 LEU A 22 50.449 37.650 7.641 1.00 62.39 C ATOM 56 CD2 LEU A 22 52.815 38.112 6.892 1.00 64.93 C ATOM 57 HA LEU A 22 49.653 39.122 8.854 1.00 0.00 H ATOM 58 HB2 LEU A 22 52.025 40.160 8.039 1.00 0.00 H ATOM 59 HB3 LEU A 22 52.541 39.408 9.566 1.00 0.00 H ATOM 60 HG LEU A 22 52.238 37.262 8.757 1.00 0.00 H ATOM 61 HD21 LEU A 22 52.453 38.862 6.189 1.00 0.00 H ATOM 62 HD22 LEU A 22 53.808 38.391 7.244 1.00 0.00 H ATOM 63 HD23 LEU A 22 52.862 37.142 6.397 1.00 0.00 H ATOM 64 HD11 LEU A 22 49.800 37.596 8.515 1.00 0.00 H ATOM 65 HD12 LEU A 22 50.070 38.404 6.951 1.00 0.00 H ATOM 66 HD13 LEU A 22 50.473 36.680 7.144 1.00 0.00 H ATOM 67 H LEU A 22 50.371 41.764 9.993 1.00 0.00 H ATOM 68 N LYS A 23 51.025 38.090 11.244 1.00 51.45 N ATOM 69 CA LYS A 23 50.948 37.817 12.673 1.00 53.36 C ATOM 70 C LYS A 23 49.512 37.341 13.052 1.00 50.32 C ATOM 71 O LYS A 23 48.694 37.094 12.150 1.00 50.89 O ATOM 72 CB LYS A 23 51.341 39.108 13.388 1.00 60.71 C ATOM 73 CG LYS A 23 52.787 39.120 13.860 1.00 59.03 C ATOM 74 CD LYS A 23 53.576 37.927 13.300 1.00 53.53 C ATOM 75 CE LYS A 23 54.363 38.252 12.033 1.00 62.20 C ATOM 76 NZ LYS A 23 53.512 38.421 10.828 1.00 61.91 N ATOM 77 HA LYS A 23 51.622 37.014 12.971 1.00 0.00 H ATOM 78 HB2 LYS A 23 51.194 39.942 12.702 1.00 0.00 H ATOM 79 HB3 LYS A 23 50.693 39.234 14.255 1.00 0.00 H ATOM 80 HG2 LYS A 23 53.260 40.044 13.528 1.00 0.00 H ATOM 81 HG3 LYS A 23 52.804 39.076 14.949 1.00 0.00 H ATOM 82 HD2 LYS A 23 54.277 37.589 14.063 1.00 0.00 H ATOM 83 HD3 LYS A 23 52.873 37.125 13.073 1.00 0.00 H ATOM 84 HE2 LYS A 23 55.066 37.440 11.847 1.00 0.00 H ATOM 85 HE3 LYS A 23 54.914 39.178 12.198 1.00 0.00 H ATOM 86 HZ1 LYS A 23 52.987 37.541 10.650 1.00 0.00 H ATOM 87 HZ2 LYS A 23 52.842 39.200 10.985 1.00 0.00 H ATOM 88 HZ3 LYS A 23 54.113 38.639 10.008 1.00 0.00 H ATOM 89 H LYS A 23 51.549 37.482 10.583 1.00 0.00 H ATOM 90 N PRO A 24 49.188 37.248 14.362 1.00 43.90 N ATOM 91 CA PRO A 24 48.112 36.336 14.764 1.00 43.02 C ATOM 92 C PRO A 24 46.778 36.697 14.137 1.00 38.49 C ATOM 93 O PRO A 24 46.529 37.868 13.861 1.00 39.21 O ATOM 94 CB PRO A 24 48.024 36.540 16.283 1.00 38.77 C ATOM 95 CG PRO A 24 49.091 37.522 16.649 1.00 42.85 C ATOM 96 CD PRO A 24 49.423 38.269 15.399 1.00 40.14 C ATOM 97 HA PRO A 24 48.321 35.313 14.452 1.00 0.00 H ATOM 98 HD3 PRO A 24 48.767 39.129 15.265 1.00 0.00 H ATOM 99 HD2 PRO A 24 50.461 38.602 15.400 1.00 0.00 H ATOM 100 HG3 PRO A 24 49.972 37.000 17.022 1.00 0.00 H ATOM 101 HG2 PRO A 24 48.726 38.208 17.413 1.00 0.00 H ATOM 102 HB2 PRO A 24 47.044 36.932 16.553 1.00 0.00 H ATOM 103 HB3 PRO A 24 48.190 35.595 16.799 1.00 0.00 H ATOM 104 N PRO A 25 45.906 35.700 13.948 1.00 42.51 N ATOM 105 CA PRO A 25 44.556 35.998 13.457 1.00 48.68 C ATOM 106 C PRO A 25 43.742 36.689 14.553 1.00 40.30 C ATOM 107 O PRO A 25 44.106 36.632 15.736 1.00 38.78 O ATOM 108 CB PRO A 25 43.978 34.609 13.145 1.00 47.50 C ATOM 109 CG PRO A 25 44.712 33.666 14.094 1.00 39.87 C ATOM 110 CD PRO A 25 46.076 34.285 14.338 1.00 44.33 C ATOM 111 HA PRO A 25 44.544 36.665 12.595 1.00 0.00 H ATOM 112 HD3 PRO A 25 46.356 34.204 15.388 1.00 0.00 H ATOM 113 HD2 PRO A 25 46.836 33.803 13.723 1.00 0.00 H ATOM 114 HG3 PRO A 25 44.820 32.681 13.640 1.00 0.00 H ATOM 115 HG2 PRO A 25 44.166 33.574 15.033 1.00 0.00 H ATOM 116 HB2 PRO A 25 42.905 34.587 13.334 1.00 0.00 H ATOM 117 HB3 PRO A 25 44.169 34.336 12.107 1.00 0.00 H ATOM 118 N SER A 26 42.662 37.357 14.171 1.00 34.19 N ATOM 119 CA SER A 26 41.768 37.903 15.177 1.00 38.47 C ATOM 120 C SER A 26 40.840 36.779 15.596 1.00 35.32 C ATOM 121 O SER A 26 40.380 35.988 14.763 1.00 34.67 O ATOM 122 CB SER A 26 40.972 39.066 14.608 1.00 38.79 C ATOM 123 OG SER A 26 40.393 38.673 13.376 1.00 50.16 O ATOM 124 HA SER A 26 42.329 38.283 16.031 1.00 0.00 H ATOM 125 HB2 SER A 26 41.634 39.917 14.446 1.00 0.00 H ATOM 126 HB3 SER A 26 40.185 39.347 15.308 1.00 0.00 H ATOM 127 HG SER A 26 39.793 37.900 13.526 1.00 0.00 H ATOM 128 H SER A 26 42.457 37.489 13.160 1.00 0.00 H ATOM 129 N MET A 27 40.575 36.695 16.890 1.00 35.57 N ATOM 130 CA MET A 27 39.719 35.635 17.392 1.00 28.62 C ATOM 131 C MET A 27 38.315 36.169 17.627 1.00 27.67 C ATOM 132 O MET A 27 38.117 37.370 17.872 1.00 24.36 O ATOM 133 CB MET A 27 40.293 35.041 18.684 1.00 35.79 C ATOM 134 CG MET A 27 41.643 34.376 18.519 1.00 28.82 C ATOM 135 SD MET A 27 41.525 32.819 17.640 1.00 30.67 S ATOM 136 CE MET A 27 40.914 31.722 18.921 1.00 26.91 C ATOM 137 HA MET A 27 39.673 34.841 16.647 1.00 0.00 H ATOM 138 HB2 MET A 27 40.395 35.845 19.413 1.00 0.00 H ATOM 139 HB3 MET A 27 39.590 34.298 19.060 1.00 0.00 H ATOM 140 HG2 MET A 27 42.067 34.191 19.506 1.00 0.00 H ATOM 141 HG3 MET A 27 42.299 35.045 17.962 1.00 0.00 H ATOM 142 HE1 MET A 27 41.626 31.697 19.746 1.00 0.00 H ATOM 143 HE2 MET A 27 39.952 32.086 19.281 1.00 0.00 H ATOM 144 HE3 MET A 27 40.794 30.719 18.512 1.00 0.00 H ATOM 145 H MET A 27 40.981 37.390 17.549 1.00 0.00 H ATOM 146 N TYR A 28 37.346 35.265 17.561 1.00 19.22 N ATOM 147 CA TYR A 28 35.945 35.633 17.725 1.00 27.57 C ATOM 148 C TYR A 28 35.184 34.780 18.734 1.00 24.74 C ATOM 149 O TYR A 28 35.248 33.548 18.704 1.00 21.36 O ATOM 150 CB TYR A 28 35.232 35.585 16.372 1.00 26.25 C ATOM 151 CG TYR A 28 35.590 36.759 15.480 1.00 32.87 C ATOM 152 CD1 TYR A 28 34.775 37.878 15.410 1.00 32.03 C ATOM 153 CD2 TYR A 28 36.751 36.741 14.718 1.00 32.33 C ATOM 154 CE1 TYR A 28 35.098 38.948 14.600 1.00 36.55 C ATOM 155 CE2 TYR A 28 37.082 37.798 13.901 1.00 38.32 C ATOM 156 CZ TYR A 28 36.251 38.904 13.850 1.00 41.41 C ATOM 157 OH TYR A 28 36.581 39.964 13.042 1.00 57.80 O ATOM 158 HA TYR A 28 35.950 36.646 18.127 1.00 0.00 H ATOM 159 HB3 TYR A 28 34.156 35.593 16.544 1.00 0.00 H ATOM 160 HB2 TYR A 28 35.511 34.662 15.863 1.00 0.00 H ATOM 161 HD2 TYR A 28 37.411 35.875 14.768 1.00 0.00 H ATOM 162 HE2 TYR A 28 37.990 37.765 13.299 1.00 0.00 H ATOM 163 HE1 TYR A 28 34.446 39.820 14.555 1.00 0.00 H ATOM 164 HD1 TYR A 28 33.863 37.914 16.005 1.00 0.00 H ATOM 165 HH TYR A 28 35.888 40.666 13.121 1.00 0.00 H ATOM 166 H TYR A 28 37.592 34.269 17.388 1.00 0.00 H ATOM 167 N LYS A 29 34.458 35.466 19.609 1.00 25.24 N ATOM 168 CA LYS A 29 33.569 34.835 20.575 1.00 27.23 C ATOM 169 C LYS A 29 32.242 34.497 19.929 1.00 29.72 C ATOM 170 O LYS A 29 31.651 35.324 19.227 1.00 31.18 O ATOM 171 CB LYS A 29 33.315 35.784 21.733 1.00 24.21 C ATOM 172 CG LYS A 29 34.516 35.959 22.631 1.00 27.19 C ATOM 173 CD LYS A 29 34.335 37.121 23.557 1.00 30.81 C ATOM 174 CE LYS A 29 35.629 37.393 24.332 1.00 46.71 C ATOM 175 NZ LYS A 29 35.422 38.357 25.462 1.00 57.45 N ATOM 176 HA LYS A 29 34.043 33.921 20.933 1.00 0.00 H ATOM 177 HB2 LYS A 29 33.039 36.758 21.329 1.00 0.00 H ATOM 178 HB3 LYS A 29 32.491 35.392 22.329 1.00 0.00 H ATOM 179 HG2 LYS A 29 34.655 35.053 23.220 1.00 0.00 H ATOM 180 HG3 LYS A 29 35.399 36.129 22.015 1.00 0.00 H ATOM 181 HD2 LYS A 29 34.071 38.005 22.977 1.00 0.00 H ATOM 182 HD3 LYS A 29 33.534 36.898 24.262 1.00 0.00 H ATOM 183 HE2 LYS A 29 36.368 37.809 23.647 1.00 0.00 H ATOM 184 HE3 LYS A 29 36.000 36.452 24.737 1.00 0.00 H ATOM 185 HZ1 LYS A 29 35.075 39.262 25.085 1.00 0.00 H ATOM 186 HZ2 LYS A 29 34.724 37.966 26.126 1.00 0.00 H ATOM 187 HZ3 LYS A 29 36.324 38.509 25.956 1.00 0.00 H ATOM 188 H LYS A 29 34.527 36.504 19.604 1.00 0.00 H ATOM 189 N VAL A 30 31.798 33.263 20.127 1.00 25.08 N ATOM 190 CA VAL A 30 30.448 32.879 19.759 1.00 23.69 C ATOM 191 C VAL A 30 29.507 33.012 20.962 1.00 26.30 C ATOM 192 O VAL A 30 29.666 32.323 21.980 1.00 27.28 O ATOM 193 CB VAL A 30 30.414 31.435 19.218 1.00 25.75 C ATOM 194 CG1 VAL A 30 28.980 31.029 18.872 1.00 27.32 C ATOM 195 CG2 VAL A 30 31.313 31.334 17.995 1.00 25.95 C ATOM 196 HA VAL A 30 30.110 33.550 18.970 1.00 0.00 H ATOM 197 HB VAL A 30 30.780 30.753 19.985 1.00 0.00 H ATOM 198 HG11 VAL A 30 28.361 31.088 19.767 1.00 0.00 H ATOM 199 HG12 VAL A 30 28.586 31.703 18.111 1.00 0.00 H ATOM 200 HG13 VAL A 30 28.975 30.007 18.492 1.00 0.00 H ATOM 201 HG21 VAL A 30 30.957 32.020 17.227 1.00 0.00 H ATOM 202 HG22 VAL A 30 32.334 31.596 18.273 1.00 0.00 H ATOM 203 HG23 VAL A 30 31.290 30.314 17.612 1.00 0.00 H ATOM 204 H VAL A 30 32.430 32.556 20.555 1.00 0.00 H ATOM 205 N ILE A 31 28.527 33.894 20.823 1.00 21.57 N ATOM 206 CA ILE A 31 27.607 34.229 21.889 1.00 24.80 C ATOM 207 C ILE A 31 26.204 33.659 21.652 1.00 28.85 C ATOM 208 O ILE A 31 25.646 33.768 20.560 1.00 22.77 O ATOM 209 CB ILE A 31 27.455 35.764 21.995 1.00 24.61 C ATOM 210 CG1 ILE A 31 28.829 36.435 22.142 1.00 29.10 C ATOM 211 CG2 ILE A 31 26.523 36.126 23.126 1.00 24.04 C ATOM 212 CD1 ILE A 31 29.718 35.791 23.160 1.00 28.59 C ATOM 213 HA ILE A 31 28.025 33.798 22.799 1.00 0.00 H ATOM 214 HB ILE A 31 27.010 36.139 21.074 1.00 0.00 H ATOM 215 HG12 ILE A 31 29.333 36.400 21.176 1.00 0.00 H ATOM 216 HG13 ILE A 31 28.674 37.474 22.431 1.00 0.00 H ATOM 217 HD11 ILE A 31 29.236 35.828 24.137 1.00 0.00 H ATOM 218 HD12 ILE A 31 29.896 34.753 22.880 1.00 0.00 H ATOM 219 HD13 ILE A 31 30.667 36.325 23.201 1.00 0.00 H ATOM 220 HG21 ILE A 31 25.543 35.684 22.943 1.00 0.00 H ATOM 221 HG22 ILE A 31 26.926 35.744 24.064 1.00 0.00 H ATOM 222 HG23 ILE A 31 26.429 37.210 23.185 1.00 0.00 H ATOM 223 H ILE A 31 28.414 34.368 19.904 1.00 0.00 H ATOM 224 N LEU A 32 25.619 33.071 22.685 1.00 18.52 N ATOM 225 CA LEU A 32 24.211 32.720 22.627 1.00 22.75 C ATOM 226 C LEU A 32 23.427 33.797 23.371 1.00 21.02 C ATOM 227 O LEU A 32 23.811 34.191 24.458 1.00 17.41 O ATOM 228 CB LEU A 32 24.002 31.354 23.279 1.00 29.04 C ATOM 229 CG LEU A 32 23.225 30.313 22.478 1.00 32.79 C ATOM 230 CD1 LEU A 32 23.861 30.112 21.116 1.00 26.36 C ATOM 231 CD2 LEU A 32 23.151 29.003 23.271 1.00 25.96 C ATOM 232 HA LEU A 32 23.866 32.662 21.595 1.00 0.00 H ATOM 233 HB2 LEU A 32 24.986 30.937 23.492 1.00 0.00 H ATOM 234 HB3 LEU A 32 23.467 31.515 24.215 1.00 0.00 H ATOM 235 HG LEU A 32 22.207 30.666 22.311 1.00 0.00 H ATOM 236 HD21 LEU A 32 24.160 28.636 23.459 1.00 0.00 H ATOM 237 HD22 LEU A 32 22.645 29.182 24.220 1.00 0.00 H ATOM 238 HD23 LEU A 32 22.595 28.262 22.696 1.00 0.00 H ATOM 239 HD11 LEU A 32 23.856 31.056 20.571 1.00 0.00 H ATOM 240 HD12 LEU A 32 24.888 29.769 21.243 1.00 0.00 H ATOM 241 HD13 LEU A 32 23.294 29.366 20.558 1.00 0.00 H ATOM 242 H LEU A 32 26.170 32.860 23.541 1.00 0.00 H ATOM 243 N VAL A 33 22.350 34.294 22.778 1.00 20.29 N ATOM 244 CA VAL A 33 21.489 35.245 23.471 1.00 20.24 C ATOM 245 C VAL A 33 20.200 34.604 23.988 1.00 17.30 C ATOM 246 O VAL A 33 19.658 33.689 23.385 1.00 16.27 O ATOM 247 CB VAL A 33 21.152 36.469 22.596 1.00 24.42 C ATOM 248 CG1 VAL A 33 20.425 37.557 23.424 1.00 21.44 C ATOM 249 CG2 VAL A 33 22.424 37.029 21.984 1.00 21.97 C ATOM 250 HA VAL A 33 22.064 35.584 24.332 1.00 0.00 H ATOM 251 HB VAL A 33 20.482 36.152 21.797 1.00 0.00 H ATOM 252 HG11 VAL A 33 19.498 37.147 23.826 1.00 0.00 H ATOM 253 HG12 VAL A 33 21.068 37.878 24.244 1.00 0.00 H ATOM 254 HG13 VAL A 33 20.199 38.409 22.783 1.00 0.00 H ATOM 255 HG21 VAL A 33 23.106 37.330 22.779 1.00 0.00 H ATOM 256 HG22 VAL A 33 22.897 36.264 21.368 1.00 0.00 H ATOM 257 HG23 VAL A 33 22.179 37.894 21.367 1.00 0.00 H ATOM 258 H VAL A 33 22.117 34.002 21.807 1.00 0.00 H ATOM 259 N ASN A 34 19.739 35.066 25.142 1.00 19.82 N ATOM 260 CA ASN A 34 18.505 34.555 25.727 1.00 20.99 C ATOM 261 C ASN A 34 17.247 35.038 25.016 1.00 21.68 C ATOM 262 O ASN A 34 17.184 36.162 24.511 1.00 20.23 O ATOM 263 CB ASN A 34 18.384 34.934 27.198 1.00 21.44 C ATOM 264 CG ASN A 34 17.263 34.171 27.895 1.00 17.88 C ATOM 265 OD1 ASN A 34 17.223 32.952 27.842 1.00 22.54 O ATOM 266 ND2 ASN A 34 16.364 34.881 28.548 1.00 21.12 N ATOM 267 HA ASN A 34 18.574 33.473 25.612 1.00 0.00 H ATOM 268 HB2 ASN A 34 19.326 34.710 27.698 1.00 0.00 H ATOM 269 HB3 ASN A 34 18.181 36.002 27.271 1.00 0.00 H ATOM 270 HD22 ASN A 34 16.435 35.918 28.568 1.00 0.00 H ATOM 271 HD21 ASN A 34 15.584 34.404 29.043 1.00 0.00 H ATOM 272 H ASN A 34 20.269 35.809 25.641 1.00 0.00 H ATOM 273 N ASP A 35 16.239 34.182 24.977 1.00 17.79 N ATOM 274 CA ASP A 35 14.917 34.619 24.566 1.00 25.94 C ATOM 275 C ASP A 35 13.877 33.845 25.394 1.00 20.23 C ATOM 276 O ASP A 35 14.203 32.857 26.057 1.00 19.97 O ATOM 277 CB ASP A 35 14.759 34.374 23.066 1.00 17.45 C ATOM 278 CG ASP A 35 14.674 32.897 22.741 1.00 23.86 C ATOM 279 OD1 ASP A 35 13.647 32.288 23.071 1.00 21.10 O ATOM 280 OD2 ASP A 35 15.642 32.348 22.171 1.00 21.64 O ATOM 281 HA ASP A 35 14.772 35.685 24.743 1.00 0.00 H ATOM 282 HB2 ASP A 35 13.848 34.864 22.723 1.00 0.00 H ATOM 283 HB3 ASP A 35 15.617 34.801 22.547 1.00 0.00 H ATOM 284 H ASP A 35 16.395 33.189 25.243 1.00 0.00 H ATOM 285 N ASP A 36 12.636 34.306 25.390 1.00 23.43 N ATOM 286 CA ASP A 36 11.622 33.693 26.240 1.00 22.30 C ATOM 287 C ASP A 36 10.934 32.494 25.633 1.00 22.48 C ATOM 288 O ASP A 36 10.102 31.876 26.270 1.00 24.79 O ATOM 289 CB ASP A 36 10.584 34.729 26.645 1.00 27.99 C ATOM 290 CG ASP A 36 11.200 35.872 27.409 1.00 37.26 C ATOM 291 OD1 ASP A 36 12.158 35.613 28.175 1.00 31.13 O ATOM 292 OD2 ASP A 36 10.748 37.028 27.237 1.00 40.08 O ATOM 293 HA ASP A 36 12.159 33.320 27.112 1.00 0.00 H ATOM 294 HB2 ASP A 36 10.108 35.121 25.746 1.00 0.00 H ATOM 295 HB3 ASP A 36 9.833 34.249 27.273 1.00 0.00 H ATOM 296 H ASP A 36 12.383 35.108 24.778 1.00 0.00 H ATOM 297 N TYR A 37 11.277 32.149 24.402 1.00 24.02 N ATOM 298 CA TYR A 37 10.462 31.178 23.671 1.00 22.56 C ATOM 299 C TYR A 37 11.168 29.902 23.256 1.00 20.96 C ATOM 300 O TYR A 37 10.535 28.857 23.198 1.00 20.40 O ATOM 301 CB TYR A 37 9.727 31.872 22.514 1.00 23.71 C ATOM 302 CG TYR A 37 8.997 33.077 23.054 1.00 25.18 C ATOM 303 CD1 TYR A 37 7.954 32.912 23.955 1.00 24.09 C ATOM 304 CD2 TYR A 37 9.391 34.366 22.729 1.00 24.61 C ATOM 305 CE1 TYR A 37 7.299 33.997 24.492 1.00 26.82 C ATOM 306 CE2 TYR A 37 8.744 35.456 23.261 1.00 22.52 C ATOM 307 CZ TYR A 37 7.702 35.268 24.135 1.00 28.22 C ATOM 308 OH TYR A 37 7.056 36.352 24.662 1.00 31.55 O ATOM 309 HA TYR A 37 9.726 30.808 24.384 1.00 0.00 H ATOM 310 HB3 TYR A 37 9.013 31.181 22.066 1.00 0.00 H ATOM 311 HB2 TYR A 37 10.447 32.188 21.759 1.00 0.00 H ATOM 312 HD2 TYR A 37 10.224 34.517 22.043 1.00 0.00 H ATOM 313 HE2 TYR A 37 9.057 36.464 22.990 1.00 0.00 H ATOM 314 HE1 TYR A 37 6.474 33.855 25.189 1.00 0.00 H ATOM 315 HD1 TYR A 37 7.648 31.906 24.242 1.00 0.00 H ATOM 316 HH TYR A 37 6.336 36.043 25.268 1.00 0.00 H ATOM 317 H TYR A 37 12.120 32.565 23.957 1.00 0.00 H ATOM 318 N THR A 38 12.471 29.969 23.001 1.00 15.89 N ATOM 319 CA THR A 38 13.219 28.751 22.740 1.00 20.33 C ATOM 320 C THR A 38 13.186 27.824 23.973 1.00 20.15 C ATOM 321 O THR A 38 13.521 28.241 25.078 1.00 14.37 O ATOM 322 CB THR A 38 14.707 29.039 22.365 1.00 21.58 C ATOM 323 OG1 THR A 38 14.769 30.037 21.340 1.00 18.44 O ATOM 324 CG2 THR A 38 15.408 27.749 21.894 1.00 15.82 C ATOM 325 HA THR A 38 12.739 28.265 21.890 1.00 0.00 H ATOM 326 HB THR A 38 15.224 29.407 23.252 1.00 0.00 H ATOM 327 HG1 THR A 38 14.348 30.871 21.667 1.00 0.00 H ATOM 328 HG23 THR A 38 15.354 26.999 22.683 1.00 0.00 H ATOM 329 HG21 THR A 38 14.912 27.374 20.999 1.00 0.00 H ATOM 330 HG22 THR A 38 16.452 27.966 21.669 1.00 0.00 H ATOM 331 H THR A 38 12.953 30.890 22.988 1.00 0.00 H ATOM 332 N PRO A 39 12.803 26.551 23.779 1.00 21.29 N ATOM 333 CA PRO A 39 12.851 25.620 24.915 1.00 18.04 C ATOM 334 C PRO A 39 14.276 25.398 25.429 1.00 16.95 C ATOM 335 O PRO A 39 15.229 25.284 24.648 1.00 18.11 O ATOM 336 CB PRO A 39 12.328 24.309 24.323 1.00 24.51 C ATOM 337 CG PRO A 39 11.597 24.695 23.089 1.00 27.79 C ATOM 338 CD PRO A 39 12.303 25.903 22.554 1.00 22.00 C ATOM 339 HA PRO A 39 12.279 25.998 25.762 1.00 0.00 H ATOM 340 HD3 PRO A 39 13.124 25.620 21.895 1.00 0.00 H ATOM 341 HD2 PRO A 39 11.615 26.555 22.016 1.00 0.00 H ATOM 342 HG3 PRO A 39 10.559 24.934 23.322 1.00 0.00 H ATOM 343 HG2 PRO A 39 11.627 23.884 22.361 1.00 0.00 H ATOM 344 HB2 PRO A 39 13.156 23.642 24.083 1.00 0.00 H ATOM 345 HB3 PRO A 39 11.657 23.815 25.025 1.00 0.00 H ATOM 346 N MET A 40 14.412 25.321 26.739 1.00 14.72 N ATOM 347 CA MET A 40 15.694 25.000 27.344 1.00 23.35 C ATOM 348 C MET A 40 16.309 23.716 26.777 1.00 19.95 C ATOM 349 O MET A 40 17.504 23.670 26.482 1.00 22.38 O ATOM 350 CB MET A 40 15.532 24.870 28.860 1.00 24.89 C ATOM 351 CG MET A 40 15.388 26.191 29.597 1.00 16.74 C ATOM 352 SD MET A 40 15.045 25.824 31.354 1.00 22.53 S ATOM 353 CE MET A 40 15.190 27.467 32.071 1.00 23.68 C ATOM 354 HA MET A 40 16.376 25.816 27.106 1.00 0.00 H ATOM 355 HB2 MET A 40 14.642 24.272 29.057 1.00 0.00 H ATOM 356 HB3 MET A 40 16.409 24.355 29.253 1.00 0.00 H ATOM 357 HG2 MET A 40 14.565 26.765 29.171 1.00 0.00 H ATOM 358 HG3 MET A 40 16.311 26.765 29.512 1.00 0.00 H ATOM 359 HE1 MET A 40 16.193 27.853 31.892 1.00 0.00 H ATOM 360 HE2 MET A 40 14.457 28.129 31.610 1.00 0.00 H ATOM 361 HE3 MET A 40 15.007 27.411 33.144 1.00 0.00 H ATOM 362 H MET A 40 13.588 25.493 27.349 1.00 0.00 H ATOM 363 N GLU A 41 15.493 22.676 26.652 1.00 22.36 N ATOM 364 CA GLU A 41 15.928 21.394 26.083 1.00 24.94 C ATOM 365 C GLU A 41 16.600 21.628 24.724 1.00 28.00 C ATOM 366 O GLU A 41 17.608 20.993 24.382 1.00 20.43 O ATOM 367 CB GLU A 41 14.736 20.490 25.824 1.00 26.16 C ATOM 368 CG GLU A 41 14.322 19.572 26.942 1.00 55.91 C ATOM 369 CD GLU A 41 13.198 18.627 26.492 1.00 74.79 C ATOM 370 OE1 GLU A 41 13.374 17.926 25.467 1.00 70.13 O ATOM 371 OE2 GLU A 41 12.139 18.591 27.156 1.00 70.99 O ATOM 372 HA GLU A 41 16.613 20.936 26.796 1.00 0.00 H ATOM 373 HB2 GLU A 41 13.884 21.128 25.588 1.00 0.00 H ATOM 374 HB3 GLU A 41 14.974 19.870 24.960 1.00 0.00 H ATOM 375 HG2 GLU A 41 15.182 18.980 27.254 1.00 0.00 H ATOM 376 HG3 GLU A 41 13.970 20.170 27.783 1.00 0.00 H ATOM 377 H GLU A 41 14.507 22.773 26.969 1.00 0.00 H ATOM 378 N PHE A 42 16.018 22.529 23.939 1.00 24.18 N ATOM 379 CA PHE A 42 16.545 22.790 22.615 1.00 25.54 C ATOM 380 C PHE A 42 17.924 23.418 22.683 1.00 20.36 C ATOM 381 O PHE A 42 18.842 22.936 22.042 1.00 18.97 O ATOM 382 CB PHE A 42 15.599 23.639 21.772 1.00 21.48 C ATOM 383 CG PHE A 42 16.089 23.841 20.361 1.00 27.88 C ATOM 384 CD1 PHE A 42 15.919 22.842 19.398 1.00 21.18 C ATOM 385 CD2 PHE A 42 16.713 25.028 19.989 1.00 19.93 C ATOM 386 CE1 PHE A 42 16.367 23.038 18.096 1.00 27.64 C ATOM 387 CE2 PHE A 42 17.160 25.223 18.684 1.00 23.23 C ATOM 388 CZ PHE A 42 17.000 24.231 17.739 1.00 15.90 C ATOM 389 HA PHE A 42 16.636 21.824 22.119 1.00 0.00 H ATOM 390 HB2 PHE A 42 14.628 23.145 21.736 1.00 0.00 H ATOM 391 HB3 PHE A 42 15.492 24.615 22.246 1.00 0.00 H ATOM 392 HD2 PHE A 42 16.854 25.816 20.729 1.00 0.00 H ATOM 393 HE2 PHE A 42 17.638 26.163 18.409 1.00 0.00 H ATOM 394 HZ PHE A 42 17.364 24.377 16.722 1.00 0.00 H ATOM 395 HE1 PHE A 42 16.223 22.256 17.350 1.00 0.00 H ATOM 396 HD1 PHE A 42 15.433 21.905 19.669 1.00 0.00 H ATOM 397 H PHE A 42 15.182 23.048 24.276 1.00 0.00 H ATOM 398 N VAL A 43 18.068 24.488 23.466 1.00 22.82 N ATOM 399 CA VAL A 43 19.368 25.122 23.636 1.00 18.46 C ATOM 400 C VAL A 43 20.421 24.077 24.078 1.00 19.56 C ATOM 401 O VAL A 43 21.517 24.039 23.550 1.00 14.83 O ATOM 402 CB VAL A 43 19.340 26.302 24.644 1.00 20.76 C ATOM 403 CG1 VAL A 43 20.758 26.833 24.840 1.00 16.73 C ATOM 404 CG2 VAL A 43 18.390 27.440 24.164 1.00 15.93 C ATOM 405 HA VAL A 43 19.641 25.537 22.666 1.00 0.00 H ATOM 406 HB VAL A 43 18.953 25.937 25.595 1.00 0.00 H ATOM 407 HG11 VAL A 43 21.393 26.036 25.228 1.00 0.00 H ATOM 408 HG12 VAL A 43 21.151 27.179 23.884 1.00 0.00 H ATOM 409 HG13 VAL A 43 20.740 27.662 25.548 1.00 0.00 H ATOM 410 HG21 VAL A 43 18.734 27.816 23.201 1.00 0.00 H ATOM 411 HG22 VAL A 43 17.378 27.048 24.062 1.00 0.00 H ATOM 412 HG23 VAL A 43 18.396 28.249 24.895 1.00 0.00 H ATOM 413 H VAL A 43 17.240 24.875 23.962 1.00 0.00 H ATOM 414 N ILE A 44 20.080 23.222 25.036 1.00 21.02 N ATOM 415 CA ILE A 44 21.011 22.184 25.461 1.00 18.48 C ATOM 416 C ILE A 44 21.486 21.359 24.275 1.00 19.81 C ATOM 417 O ILE A 44 22.674 21.099 24.130 1.00 19.07 O ATOM 418 CB ILE A 44 20.412 21.290 26.545 1.00 21.55 C ATOM 419 CG1 ILE A 44 20.158 22.118 27.823 1.00 22.00 C ATOM 420 CG2 ILE A 44 21.370 20.110 26.844 1.00 21.73 C ATOM 421 CD1 ILE A 44 19.373 21.391 28.913 1.00 23.50 C ATOM 422 HA ILE A 44 21.876 22.684 25.896 1.00 0.00 H ATOM 423 HB ILE A 44 19.462 20.886 26.196 1.00 0.00 H ATOM 424 HG12 ILE A 44 21.124 22.408 28.237 1.00 0.00 H ATOM 425 HG13 ILE A 44 19.601 23.012 27.543 1.00 0.00 H ATOM 426 HD11 ILE A 44 18.396 21.104 28.525 1.00 0.00 H ATOM 427 HD12 ILE A 44 19.920 20.499 29.220 1.00 0.00 H ATOM 428 HD13 ILE A 44 19.245 22.053 29.770 1.00 0.00 H ATOM 429 HG21 ILE A 44 21.518 19.525 25.936 1.00 0.00 H ATOM 430 HG22 ILE A 44 22.328 20.500 27.187 1.00 0.00 H ATOM 431 HG23 ILE A 44 20.935 19.478 27.618 1.00 0.00 H ATOM 432 H ILE A 44 19.145 23.294 25.485 1.00 0.00 H ATOM 433 N ASP A 45 20.537 20.972 23.425 1.00 26.02 N ATOM 434 CA ASP A 45 20.822 20.173 22.235 1.00 23.02 C ATOM 435 C ASP A 45 21.805 20.901 21.308 1.00 21.51 C ATOM 436 O ASP A 45 22.825 20.338 20.888 1.00 20.84 O ATOM 437 CB ASP A 45 19.520 19.860 21.491 1.00 25.63 C ATOM 438 CG ASP A 45 19.756 19.081 20.215 1.00 39.78 C ATOM 439 OD1 ASP A 45 20.753 18.318 20.179 1.00 51.62 O ATOM 440 OD2 ASP A 45 18.960 19.239 19.256 1.00 36.03 O ATOM 441 HA ASP A 45 21.285 19.238 22.550 1.00 0.00 H ATOM 442 HB2 ASP A 45 18.875 19.273 22.145 1.00 0.00 H ATOM 443 HB3 ASP A 45 19.025 20.799 21.242 1.00 0.00 H ATOM 444 H ASP A 45 19.553 21.250 23.616 1.00 0.00 H ATOM 445 N VAL A 46 21.505 22.162 21.020 1.00 23.11 N ATOM 446 CA VAL A 46 22.413 23.012 20.266 1.00 22.41 C ATOM 447 C VAL A 46 23.842 22.966 20.810 1.00 24.85 C ATOM 448 O VAL A 46 24.801 22.825 20.053 1.00 25.47 O ATOM 449 CB VAL A 46 21.913 24.465 20.255 1.00 18.27 C ATOM 450 CG1 VAL A 46 23.030 25.409 19.804 1.00 22.25 C ATOM 451 CG2 VAL A 46 20.675 24.576 19.398 1.00 13.43 C ATOM 452 HA VAL A 46 22.431 22.623 19.248 1.00 0.00 H ATOM 453 HB VAL A 46 21.635 24.766 21.265 1.00 0.00 H ATOM 454 HG11 VAL A 46 23.872 25.328 20.491 1.00 0.00 H ATOM 455 HG12 VAL A 46 23.351 25.135 18.799 1.00 0.00 H ATOM 456 HG13 VAL A 46 22.659 26.434 19.802 1.00 0.00 H ATOM 457 HG21 VAL A 46 20.911 24.269 18.379 1.00 0.00 H ATOM 458 HG22 VAL A 46 19.896 23.930 19.802 1.00 0.00 H ATOM 459 HG23 VAL A 46 20.328 25.609 19.396 1.00 0.00 H ATOM 460 H VAL A 46 20.596 22.552 21.342 1.00 0.00 H ATOM 461 N LEU A 47 23.989 23.064 22.122 1.00 17.91 N ATOM 462 CA LEU A 47 25.320 23.141 22.693 1.00 15.15 C ATOM 463 C LEU A 47 26.133 21.866 22.520 1.00 28.00 C ATOM 464 O LEU A 47 27.332 21.941 22.241 1.00 29.30 O ATOM 465 CB LEU A 47 25.232 23.537 24.170 1.00 17.03 C ATOM 466 CG LEU A 47 24.863 25.045 24.315 1.00 16.90 C ATOM 467 CD1 LEU A 47 24.471 25.347 25.747 1.00 14.57 C ATOM 468 CD2 LEU A 47 26.017 25.926 23.849 1.00 15.01 C ATOM 469 HA LEU A 47 25.856 23.910 22.137 1.00 0.00 H ATOM 470 HB2 LEU A 47 24.467 22.933 24.658 1.00 0.00 H ATOM 471 HB3 LEU A 47 26.195 23.356 24.647 1.00 0.00 H ATOM 472 HG LEU A 47 24.007 25.266 23.678 1.00 0.00 H ATOM 473 HD21 LEU A 47 26.899 25.717 24.454 1.00 0.00 H ATOM 474 HD22 LEU A 47 26.235 25.714 22.802 1.00 0.00 H ATOM 475 HD23 LEU A 47 25.739 26.974 23.958 1.00 0.00 H ATOM 476 HD11 LEU A 47 23.610 24.738 26.023 1.00 0.00 H ATOM 477 HD12 LEU A 47 25.307 25.117 26.407 1.00 0.00 H ATOM 478 HD13 LEU A 47 24.215 26.403 25.837 1.00 0.00 H ATOM 479 H LEU A 47 23.153 23.086 22.741 1.00 0.00 H ATOM 480 N GLN A 48 25.482 20.712 22.709 1.00 18.08 N ATOM 481 CA GLN A 48 26.076 19.406 22.405 1.00 25.13 C ATOM 482 C GLN A 48 26.362 19.239 20.923 1.00 23.65 C ATOM 483 O GLN A 48 27.482 18.924 20.527 1.00 24.32 O ATOM 484 CB GLN A 48 25.141 18.279 22.834 1.00 19.42 C ATOM 485 CG GLN A 48 24.717 18.328 24.290 1.00 27.08 C ATOM 486 CD GLN A 48 24.034 17.043 24.707 1.00 29.71 C ATOM 487 OE1 GLN A 48 22.813 16.978 24.781 1.00 33.57 O ATOM 488 NE2 GLN A 48 24.822 16.004 24.950 1.00 32.93 N ATOM 489 HA GLN A 48 27.015 19.359 22.957 1.00 0.00 H ATOM 490 HB2 GLN A 48 24.244 18.328 22.217 1.00 0.00 H ATOM 491 HB3 GLN A 48 25.649 17.331 22.660 1.00 0.00 H ATOM 492 HG2 GLN A 48 25.599 18.480 24.912 1.00 0.00 H ATOM 493 HG3 GLN A 48 24.027 19.160 24.431 1.00 0.00 H ATOM 494 HE22 GLN A 48 25.854 16.105 24.875 1.00 0.00 H ATOM 495 HE21 GLN A 48 24.408 15.088 25.216 1.00 0.00 H ATOM 496 H GLN A 48 24.514 20.743 23.088 1.00 0.00 H ATOM 497 N LYS A 49 25.333 19.450 20.111 1.00 25.99 N ATOM 498 CA LYS A 49 25.439 19.294 18.662 1.00 23.93 C ATOM 499 C LYS A 49 26.528 20.150 17.979 1.00 28.67 C ATOM 500 O LYS A 49 27.305 19.643 17.172 1.00 26.04 O ATOM 501 CB LYS A 49 24.077 19.547 18.011 1.00 26.77 C ATOM 502 CG LYS A 49 24.070 19.342 16.516 1.00 33.34 C ATOM 503 CD LYS A 49 22.656 19.218 16.001 1.00 39.44 C ATOM 504 CE LYS A 49 22.368 17.817 15.514 1.00 53.02 C ATOM 505 NZ LYS A 49 22.982 17.580 14.162 1.00 47.29 N ATOM 506 HA LYS A 49 25.760 18.264 18.507 1.00 0.00 H ATOM 507 HB2 LYS A 49 23.351 18.866 18.455 1.00 0.00 H ATOM 508 HB3 LYS A 49 23.782 20.576 18.219 1.00 0.00 H ATOM 509 HG2 LYS A 49 24.553 20.193 16.036 1.00 0.00 H ATOM 510 HG3 LYS A 49 24.619 18.431 16.277 1.00 0.00 H ATOM 511 HD2 LYS A 49 21.962 19.464 16.805 1.00 0.00 H ATOM 512 HD3 LYS A 49 22.516 19.916 15.176 1.00 0.00 H ATOM 513 HE2 LYS A 49 21.289 17.678 15.445 1.00 0.00 H ATOM 514 HE3 LYS A 49 22.781 17.100 16.224 1.00 0.00 H ATOM 515 HZ1 LYS A 49 22.588 18.259 13.480 1.00 0.00 H ATOM 516 HZ2 LYS A 49 24.012 17.707 14.223 1.00 0.00 H ATOM 517 HZ3 LYS A 49 22.769 16.611 13.851 1.00 0.00 H ATOM 518 H LYS A 49 24.421 19.736 20.520 1.00 0.00 H ATOM 519 N PHE A 50 26.595 21.437 18.312 1.00 22.95 N ATOM 520 CA PHE A 50 27.462 22.368 17.586 1.00 23.40 C ATOM 521 C PHE A 50 28.745 22.829 18.324 1.00 30.38 C ATOM 522 O PHE A 50 29.626 23.446 17.708 1.00 28.41 O ATOM 523 CB PHE A 50 26.647 23.574 17.105 1.00 17.93 C ATOM 524 CG PHE A 50 25.582 23.196 16.115 1.00 19.31 C ATOM 525 CD1 PHE A 50 25.921 22.906 14.792 1.00 20.49 C ATOM 526 CD2 PHE A 50 24.257 23.081 16.511 1.00 15.40 C ATOM 527 CE1 PHE A 50 24.954 22.533 13.879 1.00 22.72 C ATOM 528 CE2 PHE A 50 23.278 22.709 15.598 1.00 23.60 C ATOM 529 CZ PHE A 50 23.626 22.433 14.282 1.00 24.85 C ATOM 530 HA PHE A 50 27.842 21.793 16.742 1.00 0.00 H ATOM 531 HB2 PHE A 50 26.172 24.041 17.968 1.00 0.00 H ATOM 532 HB3 PHE A 50 27.324 24.287 16.634 1.00 0.00 H ATOM 533 HD2 PHE A 50 23.982 23.284 17.546 1.00 0.00 H ATOM 534 HE2 PHE A 50 22.238 22.634 15.914 1.00 0.00 H ATOM 535 HZ PHE A 50 22.859 22.138 13.565 1.00 0.00 H ATOM 536 HE1 PHE A 50 25.230 22.318 12.847 1.00 0.00 H ATOM 537 HD1 PHE A 50 26.962 22.975 14.476 1.00 0.00 H ATOM 538 H PHE A 50 26.020 21.789 19.104 1.00 0.00 H ATOM 539 N PHE A 51 28.869 22.518 19.615 1.00 21.23 N ATOM 540 CA PHE A 51 30.033 22.946 20.385 1.00 23.38 C ATOM 541 C PHE A 51 30.663 21.810 21.212 1.00 28.47 C ATOM 542 O PHE A 51 31.560 22.048 22.013 1.00 29.44 O ATOM 543 CB PHE A 51 29.663 24.114 21.310 1.00 20.48 C ATOM 544 CG PHE A 51 29.124 25.316 20.594 1.00 22.23 C ATOM 545 CD1 PHE A 51 27.758 25.519 20.497 1.00 27.78 C ATOM 546 CD2 PHE A 51 29.979 26.258 20.053 1.00 28.78 C ATOM 547 CE1 PHE A 51 27.248 26.627 19.856 1.00 22.25 C ATOM 548 CE2 PHE A 51 29.491 27.378 19.415 1.00 27.17 C ATOM 549 CZ PHE A 51 28.123 27.565 19.308 1.00 29.47 C ATOM 550 HA PHE A 51 30.780 23.267 19.659 1.00 0.00 H ATOM 551 HB2 PHE A 51 28.907 23.767 22.014 1.00 0.00 H ATOM 552 HB3 PHE A 51 30.557 24.414 21.857 1.00 0.00 H ATOM 553 HD2 PHE A 51 31.056 26.113 20.132 1.00 0.00 H ATOM 554 HE2 PHE A 51 30.179 28.113 18.997 1.00 0.00 H ATOM 555 HZ PHE A 51 27.731 28.444 18.796 1.00 0.00 H ATOM 556 HE1 PHE A 51 26.170 26.769 19.778 1.00 0.00 H ATOM 557 HD1 PHE A 51 27.075 24.791 20.935 1.00 0.00 H ATOM 558 H PHE A 51 28.124 21.961 20.081 1.00 0.00 H ATOM 559 N SER A 52 30.194 20.582 21.017 1.00 25.44 N ATOM 560 CA SER A 52 30.798 19.425 21.682 1.00 31.22 C ATOM 561 C SER A 52 30.743 19.465 23.205 1.00 35.26 C ATOM 562 O SER A 52 31.611 18.901 23.878 1.00 43.47 O ATOM 563 CB SER A 52 32.262 19.260 21.257 1.00 34.80 C ATOM 564 OG SER A 52 32.335 18.897 19.887 1.00 44.82 O ATOM 565 HA SER A 52 30.192 18.577 21.362 1.00 0.00 H ATOM 566 HB2 SER A 52 32.728 18.482 21.862 1.00 0.00 H ATOM 567 HB3 SER A 52 32.790 20.201 21.409 1.00 0.00 H ATOM 568 HG SER A 52 33.284 18.793 19.624 1.00 0.00 H ATOM 569 H SER A 52 29.384 20.440 20.381 1.00 0.00 H ATOM 570 N TYR A 53 29.731 20.122 23.758 1.00 31.12 N ATOM 571 CA TYR A 53 29.544 20.084 25.197 1.00 26.70 C ATOM 572 C TYR A 53 28.844 18.807 25.567 1.00 28.73 C ATOM 573 O TYR A 53 27.948 18.379 24.840 1.00 23.07 O ATOM 574 CB TYR A 53 28.686 21.256 25.656 1.00 21.86 C ATOM 575 CG TYR A 53 29.437 22.558 25.750 1.00 23.22 C ATOM 576 CD1 TYR A 53 30.363 22.760 26.751 1.00 29.69 C ATOM 577 CD2 TYR A 53 29.212 23.579 24.851 1.00 17.69 C ATOM 578 CE1 TYR A 53 31.051 23.938 26.856 1.00 32.24 C ATOM 579 CE2 TYR A 53 29.902 24.779 24.948 1.00 23.43 C ATOM 580 CZ TYR A 53 30.812 24.947 25.960 1.00 24.61 C ATOM 581 OH TYR A 53 31.514 26.116 26.098 1.00 27.26 O ATOM 582 HA TYR A 53 30.520 20.143 25.678 1.00 0.00 H ATOM 583 HB3 TYR A 53 28.280 21.021 26.640 1.00 0.00 H ATOM 584 HB2 TYR A 53 27.867 21.381 24.947 1.00 0.00 H ATOM 585 HD2 TYR A 53 28.482 23.442 24.053 1.00 0.00 H ATOM 586 HE2 TYR A 53 29.723 25.578 24.229 1.00 0.00 H ATOM 587 HE1 TYR A 53 31.786 24.073 27.649 1.00 0.00 H ATOM 588 HD1 TYR A 53 30.551 21.965 27.473 1.00 0.00 H ATOM 589 HH TYR A 53 32.049 26.277 25.281 1.00 0.00 H ATOM 590 H TYR A 53 29.073 20.663 23.161 1.00 0.00 H ATOM 591 N ASP A 54 29.239 18.195 26.686 1.00 27.10 N ATOM 592 CA ASP A 54 28.414 17.126 27.258 1.00 29.58 C ATOM 593 C ASP A 54 27.154 17.750 27.871 1.00 30.28 C ATOM 594 O ASP A 54 27.017 18.978 27.907 1.00 23.21 O ATOM 595 CB ASP A 54 29.174 16.313 28.304 1.00 34.10 C ATOM 596 CG ASP A 54 29.658 17.161 29.458 1.00 34.60 C ATOM 597 OD1 ASP A 54 28.943 18.106 29.871 1.00 35.07 O ATOM 598 OD2 ASP A 54 30.765 16.875 29.955 1.00 39.73 O ATOM 599 HA ASP A 54 28.140 16.434 26.462 1.00 0.00 H ATOM 600 HB2 ASP A 54 28.513 15.538 28.693 1.00 0.00 H ATOM 601 HB3 ASP A 54 30.036 15.848 27.826 1.00 0.00 H ATOM 602 H ASP A 54 30.127 18.475 27.149 1.00 0.00 H ATOM 603 N VAL A 55 26.232 16.918 28.340 1.00 28.31 N ATOM 604 CA VAL A 55 24.948 17.435 28.787 1.00 32.46 C ATOM 605 C VAL A 55 25.113 18.333 30.001 1.00 31.61 C ATOM 606 O VAL A 55 24.534 19.416 30.066 1.00 30.10 O ATOM 607 CB VAL A 55 23.972 16.315 29.157 1.00 32.79 C ATOM 608 CG1 VAL A 55 22.581 16.900 29.370 1.00 33.76 C ATOM 609 CG2 VAL A 55 23.945 15.262 28.066 1.00 41.04 C ATOM 610 HA VAL A 55 24.543 18.002 27.948 1.00 0.00 H ATOM 611 HB VAL A 55 24.302 15.841 30.081 1.00 0.00 H ATOM 612 HG11 VAL A 55 22.616 17.632 30.176 1.00 0.00 H ATOM 613 HG12 VAL A 55 22.247 17.384 28.452 1.00 0.00 H ATOM 614 HG13 VAL A 55 21.888 16.101 29.633 1.00 0.00 H ATOM 615 HG21 VAL A 55 23.626 15.719 27.129 1.00 0.00 H ATOM 616 HG22 VAL A 55 24.943 14.841 27.945 1.00 0.00 H ATOM 617 HG23 VAL A 55 23.247 14.472 28.343 1.00 0.00 H ATOM 618 H VAL A 55 26.428 15.898 28.388 1.00 0.00 H ATOM 619 N GLU A 56 25.912 17.876 30.954 1.00 26.92 N ATOM 620 CA GLU A 56 26.181 18.631 32.176 1.00 31.56 C ATOM 621 C GLU A 56 26.651 20.072 31.922 1.00 27.55 C ATOM 622 O GLU A 56 26.043 21.004 32.388 1.00 21.73 O ATOM 623 CB GLU A 56 27.209 17.877 33.041 1.00 34.57 C ATOM 624 CG GLU A 56 26.749 16.475 33.505 1.00 35.65 C ATOM 625 CD GLU A 56 26.896 15.392 32.426 1.00 51.87 C ATOM 626 OE1 GLU A 56 27.573 15.646 31.397 1.00 41.36 O ATOM 627 OE2 GLU A 56 26.335 14.281 32.617 1.00 53.32 O ATOM 628 HA GLU A 56 25.232 18.713 32.705 1.00 0.00 H ATOM 629 HB2 GLU A 56 28.124 17.761 32.460 1.00 0.00 H ATOM 630 HB3 GLU A 56 27.416 18.478 33.926 1.00 0.00 H ATOM 631 HG2 GLU A 56 27.346 16.184 34.369 1.00 0.00 H ATOM 632 HG3 GLU A 56 25.700 16.534 33.794 1.00 0.00 H ATOM 633 H GLU A 56 26.363 16.948 30.828 1.00 0.00 H ATOM 634 N ARG A 57 27.756 20.228 31.206 1.00 28.47 N ATOM 635 CA ARG A 57 28.249 21.525 30.826 1.00 23.57 C ATOM 636 C ARG A 57 27.231 22.279 29.968 1.00 24.03 C ATOM 637 O ARG A 57 27.023 23.475 30.174 1.00 19.13 O ATOM 638 CB ARG A 57 29.560 21.393 30.064 1.00 28.90 C ATOM 639 CG ARG A 57 30.697 20.760 30.883 1.00 42.47 C ATOM 640 CD ARG A 57 31.495 21.823 31.609 1.00 43.80 C ATOM 641 NE ARG A 57 32.322 21.312 32.703 1.00 52.14 N ATOM 642 CZ ARG A 57 33.650 21.198 32.661 1.00 59.61 C ATOM 643 NH1 ARG A 57 34.321 21.536 31.568 1.00 40.47 N ATOM 644 NH2 ARG A 57 34.310 20.736 33.717 1.00 66.32 N ATOM 645 HA ARG A 57 28.417 22.093 31.741 1.00 0.00 H ATOM 646 HB2 ARG A 57 29.385 20.774 29.184 1.00 0.00 H ATOM 647 HB3 ARG A 57 29.876 22.388 29.750 1.00 0.00 H ATOM 648 HG2 ARG A 57 30.271 20.072 31.613 1.00 0.00 H ATOM 649 HG3 ARG A 57 31.359 20.212 30.212 1.00 0.00 H ATOM 650 HD2 ARG A 57 30.798 22.553 32.020 1.00 0.00 H ATOM 651 HD3 ARG A 57 32.148 22.313 30.887 1.00 0.00 H ATOM 652 HE ARG A 57 31.839 21.017 33.576 1.00 0.00 H ATOM 653 HH12 ARG A 57 35.357 21.444 31.544 1.00 0.00 H ATOM 654 HH11 ARG A 57 33.812 21.893 30.735 1.00 0.00 H ATOM 655 HH22 ARG A 57 35.346 20.647 33.685 1.00 0.00 H ATOM 656 HH21 ARG A 57 33.791 20.463 34.576 1.00 0.00 H ATOM 657 H ARG A 57 28.285 19.383 30.909 1.00 0.00 H ATOM 658 N ALA A 58 26.610 21.592 29.004 1.00 23.07 N ATOM 659 CA ALA A 58 25.631 22.234 28.125 1.00 21.92 C ATOM 660 C ALA A 58 24.519 22.871 28.926 1.00 24.93 C ATOM 661 O ALA A 58 24.139 24.011 28.664 1.00 18.66 O ATOM 662 CB ALA A 58 25.044 21.235 27.143 1.00 18.95 C ATOM 663 HA ALA A 58 26.154 23.011 27.568 1.00 0.00 H ATOM 664 HB1 ALA A 58 25.843 20.817 26.531 1.00 0.00 H ATOM 665 HB2 ALA A 58 24.549 20.435 27.693 1.00 0.00 H ATOM 666 HB3 ALA A 58 24.320 21.739 26.503 1.00 0.00 H ATOM 667 H ALA A 58 26.826 20.583 28.876 1.00 0.00 H ATOM 668 N THR A 59 23.990 22.127 29.896 1.00 20.85 N ATOM 669 CA THR A 59 22.887 22.620 30.712 1.00 17.22 C ATOM 670 C THR A 59 23.312 23.827 31.531 1.00 19.29 C ATOM 671 O THR A 59 22.565 24.793 31.649 1.00 17.39 O ATOM 672 CB THR A 59 22.416 21.544 31.704 1.00 24.50 C ATOM 673 OG1 THR A 59 22.041 20.372 30.976 1.00 20.50 O ATOM 674 CG2 THR A 59 21.228 22.052 32.504 1.00 26.59 C ATOM 675 HA THR A 59 22.084 22.888 30.025 1.00 0.00 H ATOM 676 HB THR A 59 23.226 21.308 32.394 1.00 0.00 H ATOM 677 HG1 THR A 59 22.821 20.038 30.466 1.00 0.00 H ATOM 678 HG23 THR A 59 21.519 22.945 33.057 1.00 0.00 H ATOM 679 HG21 THR A 59 20.411 22.294 31.825 1.00 0.00 H ATOM 680 HG22 THR A 59 20.905 21.280 33.202 1.00 0.00 H ATOM 681 H THR A 59 24.371 21.176 30.075 1.00 0.00 H ATOM 682 N GLN A 60 24.503 23.768 32.112 1.00 19.71 N ATOM 683 CA GLN A 60 24.980 24.875 32.922 1.00 17.28 C ATOM 684 C GLN A 60 25.128 26.128 32.062 1.00 21.85 C ATOM 685 O GLN A 60 24.809 27.256 32.489 1.00 17.56 O ATOM 686 CB GLN A 60 26.302 24.526 33.619 1.00 22.76 C ATOM 687 CG GLN A 60 26.912 25.740 34.331 1.00 20.43 C ATOM 688 CD GLN A 60 28.124 25.456 35.219 1.00 26.10 C ATOM 689 OE1 GLN A 60 28.681 26.392 35.810 1.00 21.61 O ATOM 690 NE2 GLN A 60 28.543 24.192 35.313 1.00 18.28 N ATOM 691 HA GLN A 60 24.244 25.073 33.701 1.00 0.00 H ATOM 692 HB2 GLN A 60 26.117 23.743 34.354 1.00 0.00 H ATOM 693 HB3 GLN A 60 27.009 24.163 32.873 1.00 0.00 H ATOM 694 HG2 GLN A 60 27.217 26.456 33.568 1.00 0.00 H ATOM 695 HG3 GLN A 60 26.137 26.185 34.956 1.00 0.00 H ATOM 696 HE22 GLN A 60 28.043 23.439 34.798 1.00 0.00 H ATOM 697 HE21 GLN A 60 29.369 23.960 35.901 1.00 0.00 H ATOM 698 H GLN A 60 25.098 22.925 31.987 1.00 0.00 H ATOM 699 N LEU A 61 25.605 25.932 30.836 1.00 20.64 N ATOM 700 CA LEU A 61 25.843 27.053 29.926 1.00 21.61 C ATOM 701 C LEU A 61 24.504 27.647 29.461 1.00 20.65 C ATOM 702 O LEU A 61 24.322 28.877 29.362 1.00 11.25 O ATOM 703 CB LEU A 61 26.669 26.570 28.744 1.00 17.30 C ATOM 704 CG LEU A 61 27.036 27.586 27.696 1.00 23.37 C ATOM 705 CD1 LEU A 61 27.677 28.809 28.350 1.00 22.93 C ATOM 706 CD2 LEU A 61 27.997 26.925 26.694 1.00 30.08 C ATOM 707 HA LEU A 61 26.396 27.838 30.442 1.00 0.00 H ATOM 708 HB2 LEU A 61 27.597 26.158 29.140 1.00 0.00 H ATOM 709 HB3 LEU A 61 26.103 25.780 28.250 1.00 0.00 H ATOM 710 HG LEU A 61 26.144 27.925 27.169 1.00 0.00 H ATOM 711 HD21 LEU A 61 28.892 26.589 27.218 1.00 0.00 H ATOM 712 HD22 LEU A 61 27.504 26.071 26.230 1.00 0.00 H ATOM 713 HD23 LEU A 61 28.274 27.648 25.927 1.00 0.00 H ATOM 714 HD11 LEU A 61 26.972 29.256 29.051 1.00 0.00 H ATOM 715 HD12 LEU A 61 28.577 28.504 28.884 1.00 0.00 H ATOM 716 HD13 LEU A 61 27.938 29.536 27.581 1.00 0.00 H ATOM 717 H LEU A 61 25.813 24.964 30.518 1.00 0.00 H ATOM 718 N MET A 62 23.567 26.757 29.147 1.00 15.06 N ATOM 719 CA MET A 62 22.214 27.207 28.816 1.00 17.93 C ATOM 720 C MET A 62 21.705 28.077 29.957 1.00 19.35 C ATOM 721 O MET A 62 21.145 29.165 29.731 1.00 18.16 O ATOM 722 CB MET A 62 21.281 26.017 28.580 1.00 17.21 C ATOM 723 CG MET A 62 19.855 26.404 28.258 1.00 15.89 C ATOM 724 SD MET A 62 18.895 26.689 29.767 1.00 16.56 S ATOM 725 CE MET A 62 18.917 25.078 30.512 1.00 14.11 C ATOM 726 HA MET A 62 22.236 27.785 27.892 1.00 0.00 H ATOM 727 HB2 MET A 62 21.674 25.434 27.747 1.00 0.00 H ATOM 728 HB3 MET A 62 21.274 25.403 29.481 1.00 0.00 H ATOM 729 HG2 MET A 62 19.389 25.601 27.687 1.00 0.00 H ATOM 730 HG3 MET A 62 19.860 27.317 27.662 1.00 0.00 H ATOM 731 HE1 MET A 62 18.454 24.360 29.835 1.00 0.00 H ATOM 732 HE2 MET A 62 19.948 24.783 30.706 1.00 0.00 H ATOM 733 HE3 MET A 62 18.363 25.105 31.450 1.00 0.00 H ATOM 734 H MET A 62 23.795 25.742 29.137 1.00 0.00 H ATOM 735 N LEU A 63 21.933 27.623 31.185 1.00 14.99 N ATOM 736 CA LEU A 63 21.438 28.372 32.331 1.00 21.52 C ATOM 737 C LEU A 63 22.140 29.718 32.489 1.00 12.27 C ATOM 738 O LEU A 63 21.512 30.689 32.864 1.00 15.36 O ATOM 739 CB LEU A 63 21.527 27.551 33.613 1.00 16.72 C ATOM 740 CG LEU A 63 20.490 26.441 33.640 1.00 19.27 C ATOM 741 CD1 LEU A 63 20.705 25.538 34.869 1.00 18.37 C ATOM 742 CD2 LEU A 63 19.084 27.051 33.616 1.00 18.46 C ATOM 743 HA LEU A 63 20.386 28.582 32.139 1.00 0.00 H ATOM 744 HB2 LEU A 63 22.521 27.109 33.682 1.00 0.00 H ATOM 745 HB3 LEU A 63 21.364 28.209 34.467 1.00 0.00 H ATOM 746 HG LEU A 63 20.600 25.814 32.755 1.00 0.00 H ATOM 747 HD21 LEU A 63 18.952 27.692 34.488 1.00 0.00 H ATOM 748 HD22 LEU A 63 18.961 27.641 32.708 1.00 0.00 H ATOM 749 HD23 LEU A 63 18.342 26.252 33.635 1.00 0.00 H ATOM 750 HD11 LEU A 63 21.700 25.095 34.823 1.00 0.00 H ATOM 751 HD12 LEU A 63 20.613 26.134 35.777 1.00 0.00 H ATOM 752 HD13 LEU A 63 19.954 24.748 34.874 1.00 0.00 H ATOM 753 H LEU A 63 22.462 26.739 31.326 1.00 0.00 H ATOM 754 N ALA A 64 23.440 29.765 32.203 1.00 13.83 N ATOM 755 CA ALA A 64 24.177 31.032 32.216 1.00 18.50 C ATOM 756 C ALA A 64 23.531 32.043 31.272 1.00 16.06 C ATOM 757 O ALA A 64 23.343 33.209 31.622 1.00 18.54 O ATOM 758 CB ALA A 64 25.655 30.812 31.833 1.00 17.75 C ATOM 759 HA ALA A 64 24.140 31.431 33.230 1.00 0.00 H ATOM 760 HB1 ALA A 64 26.116 30.130 32.547 1.00 0.00 H ATOM 761 HB2 ALA A 64 25.710 30.384 30.832 1.00 0.00 H ATOM 762 HB3 ALA A 64 26.180 31.767 31.850 1.00 0.00 H ATOM 763 H ALA A 64 23.942 28.886 31.966 1.00 0.00 H ATOM 764 N VAL A 65 23.208 31.579 30.067 1.00 14.65 N ATOM 765 CA VAL A 65 22.480 32.371 29.079 1.00 22.63 C ATOM 766 C VAL A 65 21.111 32.781 29.642 1.00 21.44 C ATOM 767 O VAL A 65 20.769 33.956 29.663 1.00 10.80 O ATOM 768 CB VAL A 65 22.287 31.551 27.739 1.00 15.89 C ATOM 769 CG1 VAL A 65 21.514 32.343 26.704 1.00 16.10 C ATOM 770 CG2 VAL A 65 23.651 31.105 27.173 1.00 19.44 C ATOM 771 HA VAL A 65 23.061 33.266 28.857 1.00 0.00 H ATOM 772 HB VAL A 65 21.701 30.664 27.979 1.00 0.00 H ATOM 773 HG11 VAL A 65 20.529 32.592 27.100 1.00 0.00 H ATOM 774 HG12 VAL A 65 22.056 33.260 26.471 1.00 0.00 H ATOM 775 HG13 VAL A 65 21.403 31.745 25.799 1.00 0.00 H ATOM 776 HG21 VAL A 65 24.261 31.984 26.965 1.00 0.00 H ATOM 777 HG22 VAL A 65 24.157 30.474 27.904 1.00 0.00 H ATOM 778 HG23 VAL A 65 23.495 30.543 26.252 1.00 0.00 H ATOM 779 H VAL A 65 23.487 30.609 29.818 1.00 0.00 H ATOM 780 N HIS A 66 20.337 31.783 30.076 1.00 17.72 N ATOM 781 CA HIS A 66 19.004 31.982 30.596 1.00 17.36 C ATOM 782 C HIS A 66 18.976 33.033 31.702 1.00 21.94 C ATOM 783 O HIS A 66 18.098 33.875 31.720 1.00 18.72 O ATOM 784 CB HIS A 66 18.462 30.668 31.136 1.00 21.06 C ATOM 785 CG HIS A 66 17.064 30.766 31.678 1.00 20.30 C ATOM 786 ND1 HIS A 66 16.790 30.709 33.033 1.00 33.29 N ATOM 787 CD2 HIS A 66 15.874 30.895 31.059 1.00 19.84 C ATOM 788 CE1 HIS A 66 15.485 30.806 33.214 1.00 27.65 C ATOM 789 NE2 HIS A 66 14.902 30.916 32.036 1.00 28.53 N ATOM 790 HA HIS A 66 18.380 32.339 29.776 1.00 0.00 H ATOM 791 HB2 HIS A 66 18.467 29.936 30.329 1.00 0.00 H ATOM 792 HB3 HIS A 66 19.119 30.328 31.937 1.00 0.00 H ATOM 793 HD2 HIS A 66 15.710 30.969 29.984 1.00 0.00 H ATOM 794 HE1 HIS A 66 14.975 30.797 34.177 1.00 0.00 H ATOM 795 H HIS A 66 20.713 30.814 30.038 1.00 0.00 H ATOM 796 N TYR A 67 19.925 32.972 32.632 1.00 18.25 N ATOM 797 CA TYR A 67 19.856 33.818 33.819 1.00 17.65 C ATOM 798 C TYR A 67 20.582 35.130 33.602 1.00 22.23 C ATOM 799 O TYR A 67 20.214 36.141 34.190 1.00 21.88 O ATOM 800 CB TYR A 67 20.440 33.116 35.049 1.00 17.03 C ATOM 801 CG TYR A 67 19.556 32.041 35.662 1.00 18.92 C ATOM 802 CD1 TYR A 67 18.254 32.332 36.055 1.00 22.46 C ATOM 803 CD2 TYR A 67 20.039 30.741 35.874 1.00 16.66 C ATOM 804 CE1 TYR A 67 17.456 31.364 36.623 1.00 18.67 C ATOM 805 CE2 TYR A 67 19.254 29.775 36.439 1.00 15.75 C ATOM 806 CZ TYR A 67 17.967 30.089 36.810 1.00 22.81 C ATOM 807 OH TYR A 67 17.152 29.130 37.372 1.00 24.36 O ATOM 808 HA TYR A 67 18.800 34.018 33.998 1.00 0.00 H ATOM 809 HB3 TYR A 67 20.629 33.872 35.811 1.00 0.00 H ATOM 810 HB2 TYR A 67 21.382 32.652 34.757 1.00 0.00 H ATOM 811 HD2 TYR A 67 21.060 30.496 35.582 1.00 0.00 H ATOM 812 HE2 TYR A 67 19.643 28.769 36.594 1.00 0.00 H ATOM 813 HE1 TYR A 67 16.434 31.598 36.922 1.00 0.00 H ATOM 814 HD1 TYR A 67 17.860 33.338 35.912 1.00 0.00 H ATOM 815 HH TYR A 67 16.268 29.527 37.575 1.00 0.00 H ATOM 816 H TYR A 67 20.723 32.316 32.512 1.00 0.00 H ATOM 817 N GLN A 68 21.616 35.111 32.761 1.00 20.17 N ATOM 818 CA GLN A 68 22.403 36.326 32.511 1.00 26.59 C ATOM 819 C GLN A 68 22.036 37.085 31.229 1.00 26.29 C ATOM 820 O GLN A 68 22.335 38.275 31.095 1.00 20.97 O ATOM 821 CB GLN A 68 23.906 36.039 32.590 1.00 19.29 C ATOM 822 CG GLN A 68 24.275 35.429 33.937 1.00 22.58 C ATOM 823 CD GLN A 68 25.732 35.644 34.292 1.00 28.88 C ATOM 824 OE1 GLN A 68 26.609 35.435 33.470 1.00 27.06 O ATOM 825 NE2 GLN A 68 25.991 36.082 35.522 1.00 24.39 N ATOM 826 HA GLN A 68 22.132 37.008 33.317 1.00 0.00 H ATOM 827 HB2 GLN A 68 24.179 35.343 31.796 1.00 0.00 H ATOM 828 HB3 GLN A 68 24.455 36.972 32.458 1.00 0.00 H ATOM 829 HG2 GLN A 68 23.656 35.886 34.709 1.00 0.00 H ATOM 830 HG3 GLN A 68 24.078 34.358 33.902 1.00 0.00 H ATOM 831 HE22 GLN A 68 25.211 36.247 36.190 1.00 0.00 H ATOM 832 HE21 GLN A 68 26.973 36.260 35.815 1.00 0.00 H ATOM 833 H GLN A 68 21.868 34.226 32.276 1.00 0.00 H ATOM 834 N GLY A 69 21.344 36.420 30.314 1.00 16.32 N ATOM 835 CA GLY A 69 20.827 37.112 29.153 1.00 19.27 C ATOM 836 C GLY A 69 21.686 36.845 27.934 1.00 21.97 C ATOM 837 O GLY A 69 21.231 36.980 26.796 1.00 23.63 O ATOM 838 HA3 GLY A 69 20.814 38.183 29.353 1.00 0.00 H ATOM 839 HA2 GLY A 69 19.811 36.768 28.956 1.00 0.00 H ATOM 840 H GLY A 69 21.173 35.401 30.431 1.00 0.00 H ATOM 841 N LYS A 70 22.931 36.452 28.172 1.00 23.48 N ATOM 842 CA LYS A 70 23.838 36.053 27.090 1.00 23.93 C ATOM 843 C LYS A 70 25.013 35.323 27.725 1.00 25.20 C ATOM 844 O LYS A 70 25.287 35.516 28.911 1.00 21.01 O ATOM 845 CB LYS A 70 24.357 37.268 26.335 1.00 23.49 C ATOM 846 CG LYS A 70 25.337 38.050 27.174 1.00 32.51 C ATOM 847 CD LYS A 70 25.542 39.470 26.656 1.00 52.90 C ATOM 848 CE LYS A 70 26.543 39.508 25.511 1.00 59.88 C ATOM 849 NZ LYS A 70 27.024 40.893 25.221 1.00 65.08 N ATOM 850 HA LYS A 70 23.306 35.418 26.382 1.00 0.00 H ATOM 851 HB2 LYS A 70 24.854 36.936 25.423 1.00 0.00 H ATOM 852 HB3 LYS A 70 23.517 37.912 26.075 1.00 0.00 H ATOM 853 HG2 LYS A 70 24.961 38.101 28.196 1.00 0.00 H ATOM 854 HG3 LYS A 70 26.296 37.532 27.166 1.00 0.00 H ATOM 855 HD2 LYS A 70 24.587 39.860 26.305 1.00 0.00 H ATOM 856 HD3 LYS A 70 25.911 40.094 27.470 1.00 0.00 H ATOM 857 HE2 LYS A 70 26.067 39.108 24.616 1.00 0.00 H ATOM 858 HE3 LYS A 70 27.400 38.887 25.774 1.00 0.00 H ATOM 859 HZ1 LYS A 70 26.215 41.492 24.961 1.00 0.00 H ATOM 860 HZ2 LYS A 70 27.488 41.282 26.067 1.00 0.00 H ATOM 861 HZ3 LYS A 70 27.703 40.865 24.434 1.00 0.00 H ATOM 862 H LYS A 70 23.274 36.426 29.154 1.00 0.00 H ATOM 863 N ALA A 71 25.670 34.459 26.949 1.00 21.39 N ATOM 864 CA ALA A 71 26.879 33.780 27.411 1.00 23.37 C ATOM 865 C ALA A 71 27.773 33.420 26.246 1.00 26.33 C ATOM 866 O ALA A 71 27.304 33.261 25.123 1.00 27.35 O ATOM 867 CB ALA A 71 26.550 32.531 28.239 1.00 26.61 C ATOM 868 HA ALA A 71 27.412 34.476 28.059 1.00 0.00 H ATOM 869 HB1 ALA A 71 25.964 32.819 29.112 1.00 0.00 H ATOM 870 HB2 ALA A 71 25.977 31.833 27.629 1.00 0.00 H ATOM 871 HB3 ALA A 71 27.477 32.057 28.562 1.00 0.00 H ATOM 872 H ALA A 71 25.313 34.264 25.992 1.00 0.00 H ATOM 873 N ILE A 72 29.069 33.295 26.522 1.00 26.63 N ATOM 874 CA ILE A 72 30.036 32.859 25.521 1.00 21.69 C ATOM 875 C ILE A 72 30.070 31.331 25.383 1.00 27.32 C ATOM 876 O ILE A 72 30.343 30.626 26.352 1.00 31.35 O ATOM 877 CB ILE A 72 31.437 33.366 25.889 1.00 32.29 C ATOM 878 CG1 ILE A 72 31.444 34.898 25.884 1.00 26.61 C ATOM 879 CG2 ILE A 72 32.466 32.804 24.922 1.00 27.56 C ATOM 880 CD1 ILE A 72 32.649 35.494 26.529 1.00 39.88 C ATOM 881 HA ILE A 72 29.725 33.278 24.564 1.00 0.00 H ATOM 882 HB ILE A 72 31.700 33.025 26.890 1.00 0.00 H ATOM 883 HG12 ILE A 72 31.403 35.239 24.850 1.00 0.00 H ATOM 884 HG13 ILE A 72 30.560 35.248 26.416 1.00 0.00 H ATOM 885 HD11 ILE A 72 32.700 35.172 27.569 1.00 0.00 H ATOM 886 HD12 ILE A 72 33.543 35.163 26.001 1.00 0.00 H ATOM 887 HD13 ILE A 72 32.582 36.581 26.487 1.00 0.00 H ATOM 888 HG21 ILE A 72 32.454 31.715 24.973 1.00 0.00 H ATOM 889 HG22 ILE A 72 32.224 33.124 23.909 1.00 0.00 H ATOM 890 HG23 ILE A 72 33.456 33.171 25.193 1.00 0.00 H ATOM 891 H ILE A 72 29.403 33.515 27.482 1.00 0.00 H ATOM 892 N CYS A 73 29.790 30.819 24.190 1.00 20.01 N ATOM 893 CA CYS A 73 29.782 29.378 23.973 1.00 20.85 C ATOM 894 C CYS A 73 31.152 28.827 23.635 1.00 32.18 C ATOM 895 O CYS A 73 31.425 27.625 23.833 1.00 30.43 O ATOM 896 CB CYS A 73 28.842 29.015 22.822 1.00 32.60 C ATOM 897 SG CYS A 73 27.240 29.858 22.857 1.00 46.36 S ATOM 898 HA CYS A 73 29.446 28.938 24.912 1.00 0.00 H ATOM 899 HB2 CYS A 73 28.661 27.941 22.857 1.00 0.00 H ATOM 900 HB3 CYS A 73 29.339 29.268 21.885 1.00 0.00 H ATOM 901 HG CYS A 73 26.485 29.452 21.776 1.00 0.00 H ATOM 902 H CYS A 73 29.573 31.457 23.398 1.00 0.00 H ATOM 903 N GLY A 74 31.999 29.696 23.089 1.00 22.67 N ATOM 904 CA GLY A 74 33.299 29.308 22.583 1.00 22.63 C ATOM 905 C GLY A 74 33.983 30.507 21.956 1.00 25.30 C ATOM 906 O GLY A 74 33.352 31.525 21.700 1.00 25.68 O ATOM 907 HA3 GLY A 74 33.178 28.527 21.833 1.00 0.00 H ATOM 908 HA2 GLY A 74 33.909 28.930 23.403 1.00 0.00 H ATOM 909 H GLY A 74 31.716 30.694 23.023 1.00 0.00 H ATOM 910 N VAL A 75 35.286 30.379 21.728 1.00 22.72 N ATOM 911 CA VAL A 75 36.069 31.388 21.048 1.00 22.60 C ATOM 912 C VAL A 75 36.887 30.676 20.004 1.00 31.41 C ATOM 913 O VAL A 75 37.531 29.664 20.284 1.00 27.54 O ATOM 914 CB VAL A 75 37.003 32.174 21.986 1.00 24.61 C ATOM 915 CG1 VAL A 75 37.837 33.162 21.191 1.00 27.50 C ATOM 916 CG2 VAL A 75 36.194 32.904 23.046 1.00 27.37 C ATOM 917 HA VAL A 75 35.390 32.124 20.618 1.00 0.00 H ATOM 918 HB VAL A 75 37.672 31.470 22.481 1.00 0.00 H ATOM 919 HG11 VAL A 75 38.438 32.622 20.459 1.00 0.00 H ATOM 920 HG12 VAL A 75 37.178 33.861 20.677 1.00 0.00 H ATOM 921 HG13 VAL A 75 38.492 33.710 21.868 1.00 0.00 H ATOM 922 HG21 VAL A 75 35.507 33.599 22.563 1.00 0.00 H ATOM 923 HG22 VAL A 75 35.628 32.180 23.632 1.00 0.00 H ATOM 924 HG23 VAL A 75 36.869 33.455 23.701 1.00 0.00 H ATOM 925 H VAL A 75 35.764 29.515 22.053 1.00 0.00 H ATOM 926 N PHE A 76 36.864 31.212 18.791 1.00 30.38 N ATOM 927 CA PHE A 76 37.359 30.490 17.634 1.00 24.33 C ATOM 928 C PHE A 76 38.010 31.455 16.652 1.00 21.78 C ATOM 929 O PHE A 76 37.853 32.668 16.767 1.00 27.43 O ATOM 930 CB PHE A 76 36.174 29.828 16.935 1.00 21.15 C ATOM 931 CG PHE A 76 35.411 28.850 17.797 1.00 31.88 C ATOM 932 CD1 PHE A 76 34.184 29.194 18.356 1.00 23.53 C ATOM 933 CD2 PHE A 76 35.907 27.579 18.024 1.00 29.78 C ATOM 934 CE1 PHE A 76 33.473 28.305 19.125 1.00 25.99 C ATOM 935 CE2 PHE A 76 35.190 26.663 18.805 1.00 34.99 C ATOM 936 CZ PHE A 76 33.968 27.031 19.359 1.00 31.09 C ATOM 937 HA PHE A 76 38.091 29.750 17.958 1.00 0.00 H ATOM 938 HB2 PHE A 76 35.486 30.610 16.615 1.00 0.00 H ATOM 939 HB3 PHE A 76 36.547 29.294 16.061 1.00 0.00 H ATOM 940 HD2 PHE A 76 36.864 27.287 17.592 1.00 0.00 H ATOM 941 HE2 PHE A 76 35.589 25.664 18.978 1.00 0.00 H ATOM 942 HZ PHE A 76 33.406 26.325 19.970 1.00 0.00 H ATOM 943 HE1 PHE A 76 32.516 28.602 19.553 1.00 0.00 H ATOM 944 HD1 PHE A 76 33.778 30.190 18.180 1.00 0.00 H ATOM 945 H PHE A 76 36.483 32.171 18.666 1.00 0.00 H ATOM 946 N THR A 77 38.722 30.930 15.671 1.00 19.05 N ATOM 947 CA THR A 77 39.139 31.782 14.559 1.00 32.97 C ATOM 948 C THR A 77 37.891 32.235 13.797 1.00 24.72 C ATOM 949 O THR A 77 36.838 31.604 13.897 1.00 28.25 O ATOM 950 CB THR A 77 40.167 31.095 13.635 1.00 30.46 C ATOM 951 OG1 THR A 77 39.597 29.928 13.026 1.00 34.15 O ATOM 952 CG2 THR A 77 41.426 30.695 14.446 1.00 34.83 C ATOM 953 HA THR A 77 39.657 32.654 14.959 1.00 0.00 H ATOM 954 HB THR A 77 40.449 31.799 12.852 1.00 0.00 H ATOM 955 HG1 THR A 77 40.270 29.502 12.438 1.00 0.00 H ATOM 956 HG23 THR A 77 41.857 31.584 14.907 1.00 0.00 H ATOM 957 HG21 THR A 77 41.146 29.981 15.221 1.00 0.00 H ATOM 958 HG22 THR A 77 42.157 30.240 13.778 1.00 0.00 H ATOM 959 H THR A 77 38.983 29.923 15.690 1.00 0.00 H ATOM 960 N ALA A 78 38.005 33.333 13.069 1.00 23.86 N ATOM 961 CA ALA A 78 36.857 33.941 12.410 1.00 28.97 C ATOM 962 C ALA A 78 36.046 32.927 11.606 1.00 24.15 C ATOM 963 O ALA A 78 34.826 32.836 11.768 1.00 24.17 O ATOM 964 CB ALA A 78 37.297 35.114 11.543 1.00 25.66 C ATOM 965 HA ALA A 78 36.195 34.319 13.190 1.00 0.00 H ATOM 966 HB1 ALA A 78 37.785 35.863 12.167 1.00 0.00 H ATOM 967 HB2 ALA A 78 37.995 34.761 10.784 1.00 0.00 H ATOM 968 HB3 ALA A 78 36.425 35.554 11.060 1.00 0.00 H ATOM 969 H ALA A 78 38.941 33.775 12.964 1.00 0.00 H ATOM 970 N GLU A 79 36.717 32.154 10.756 1.00 25.11 N ATOM 971 CA GLU A 79 36.001 31.194 9.905 1.00 34.48 C ATOM 972 C GLU A 79 35.252 30.145 10.705 1.00 24.43 C ATOM 973 O GLU A 79 34.095 29.887 10.435 1.00 26.56 O ATOM 974 CB GLU A 79 36.918 30.516 8.876 1.00 33.51 C ATOM 975 CG GLU A 79 37.426 31.442 7.791 1.00 41.01 C ATOM 976 CD GLU A 79 38.748 32.063 8.155 1.00 50.46 C ATOM 977 OE1 GLU A 79 38.756 33.089 8.845 1.00 60.67 O ATOM 978 OE2 GLU A 79 39.796 31.542 7.742 1.00 64.81 O ATOM 979 HA GLU A 79 35.267 31.790 9.362 1.00 0.00 H ATOM 980 HB2 GLU A 79 37.778 30.103 9.404 1.00 0.00 H ATOM 981 HB3 GLU A 79 36.361 29.707 8.402 1.00 0.00 H ATOM 982 HG2 GLU A 79 37.546 30.873 6.869 1.00 0.00 H ATOM 983 HG3 GLU A 79 36.695 32.235 7.634 1.00 0.00 H ATOM 984 H GLU A 79 37.752 32.230 10.694 1.00 0.00 H ATOM 985 N VAL A 80 35.920 29.521 11.670 1.00 26.51 N ATOM 986 CA VAL A 80 35.256 28.518 12.509 1.00 24.81 C ATOM 987 C VAL A 80 34.032 29.162 13.215 1.00 23.97 C ATOM 988 O VAL A 80 32.924 28.625 13.168 1.00 19.63 O ATOM 989 CB VAL A 80 36.242 27.918 13.536 1.00 25.35 C ATOM 990 CG1 VAL A 80 35.534 26.960 14.493 1.00 20.66 C ATOM 991 CG2 VAL A 80 37.373 27.217 12.803 1.00 31.88 C ATOM 992 HA VAL A 80 34.907 27.700 11.879 1.00 0.00 H ATOM 993 HB VAL A 80 36.655 28.727 14.138 1.00 0.00 H ATOM 994 HG11 VAL A 80 34.755 27.498 15.033 1.00 0.00 H ATOM 995 HG12 VAL A 80 35.087 26.145 13.924 1.00 0.00 H ATOM 996 HG13 VAL A 80 36.257 26.556 15.202 1.00 0.00 H ATOM 997 HG21 VAL A 80 36.963 26.420 12.183 1.00 0.00 H ATOM 998 HG22 VAL A 80 37.897 27.936 12.173 1.00 0.00 H ATOM 999 HG23 VAL A 80 38.068 26.794 13.529 1.00 0.00 H ATOM 1000 H VAL A 80 36.922 29.746 11.831 1.00 0.00 H ATOM 1001 N ALA A 81 34.241 30.329 13.830 1.00 21.02 N ATOM 1002 CA ALA A 81 33.178 31.048 14.537 1.00 22.31 C ATOM 1003 C ALA A 81 31.980 31.320 13.656 1.00 21.00 C ATOM 1004 O ALA A 81 30.848 31.199 14.097 1.00 19.74 O ATOM 1005 CB ALA A 81 33.705 32.357 15.132 1.00 21.10 C ATOM 1006 HA ALA A 81 32.847 30.397 15.346 1.00 0.00 H ATOM 1007 HB1 ALA A 81 34.508 32.137 15.836 1.00 0.00 H ATOM 1008 HB2 ALA A 81 34.085 32.991 14.331 1.00 0.00 H ATOM 1009 HB3 ALA A 81 32.896 32.870 15.651 1.00 0.00 H ATOM 1010 H ALA A 81 35.195 30.743 13.806 1.00 0.00 H ATOM 1011 N GLU A 82 32.231 31.700 12.410 1.00 30.37 N ATOM 1012 CA GLU A 82 31.118 32.033 11.532 1.00 27.53 C ATOM 1013 C GLU A 82 30.299 30.868 11.074 1.00 25.55 C ATOM 1014 O GLU A 82 29.089 30.980 10.877 1.00 25.56 O ATOM 1015 CB GLU A 82 31.509 32.914 10.357 1.00 30.98 C ATOM 1016 CG GLU A 82 30.767 34.174 10.574 1.00 50.46 C ATOM 1017 CD GLU A 82 30.400 34.951 9.354 1.00 59.79 C ATOM 1018 OE1 GLU A 82 29.690 35.943 9.580 1.00 69.56 O ATOM 1019 OE2 GLU A 82 30.803 34.628 8.217 1.00 61.20 O ATOM 1020 HA GLU A 82 30.469 32.618 12.184 1.00 0.00 H ATOM 1021 HB2 GLU A 82 32.584 33.096 10.352 1.00 0.00 H ATOM 1022 HB3 GLU A 82 31.216 32.452 9.414 1.00 0.00 H ATOM 1023 HG2 GLU A 82 29.845 33.929 11.100 1.00 0.00 H ATOM 1024 HG3 GLU A 82 31.383 34.817 11.203 1.00 0.00 H ATOM 1025 H GLU A 82 33.210 31.759 12.065 1.00 0.00 H ATOM 1026 N THR A 83 30.971 29.740 10.922 1.00 22.32 N ATOM 1027 CA THR A 83 30.305 28.524 10.575 1.00 24.15 C ATOM 1028 C THR A 83 29.415 28.070 11.723 1.00 26.21 C ATOM 1029 O THR A 83 28.257 27.730 11.502 1.00 21.65 O ATOM 1030 CB THR A 83 31.337 27.485 10.251 1.00 25.04 C ATOM 1031 OG1 THR A 83 32.174 28.011 9.215 1.00 26.78 O ATOM 1032 CG2 THR A 83 30.661 26.221 9.796 1.00 23.65 C ATOM 1033 HA THR A 83 29.670 28.681 9.703 1.00 0.00 H ATOM 1034 HB THR A 83 31.937 27.247 11.129 1.00 0.00 H ATOM 1035 HG1 THR A 83 32.609 28.841 9.533 1.00 0.00 H ATOM 1036 HG23 THR A 83 30.030 25.839 10.599 1.00 0.00 H ATOM 1037 HG21 THR A 83 30.048 26.433 8.920 1.00 0.00 H ATOM 1038 HG22 THR A 83 31.417 25.478 9.541 1.00 0.00 H ATOM 1039 H THR A 83 32.002 29.737 11.057 1.00 0.00 H ATOM 1040 N LYS A 84 29.947 28.091 12.948 1.00 30.06 N ATOM 1041 CA LYS A 84 29.142 27.781 14.125 1.00 24.61 C ATOM 1042 C LYS A 84 27.876 28.640 14.155 1.00 19.99 C ATOM 1043 O LYS A 84 26.768 28.122 14.224 1.00 20.05 O ATOM 1044 CB LYS A 84 29.936 28.023 15.410 1.00 20.90 C ATOM 1045 CG LYS A 84 31.244 27.301 15.489 1.00 26.82 C ATOM 1046 CD LYS A 84 31.048 25.853 15.790 1.00 31.82 C ATOM 1047 CE LYS A 84 32.345 25.218 16.226 1.00 33.84 C ATOM 1048 NZ LYS A 84 32.204 23.743 16.158 1.00 38.08 N ATOM 1049 HA LYS A 84 28.867 26.728 14.065 1.00 0.00 H ATOM 1050 HB2 LYS A 84 30.134 29.092 15.490 1.00 0.00 H ATOM 1051 HB3 LYS A 84 29.322 27.705 16.253 1.00 0.00 H ATOM 1052 HG2 LYS A 84 31.762 27.398 14.535 1.00 0.00 H ATOM 1053 HG3 LYS A 84 31.850 27.749 16.277 1.00 0.00 H ATOM 1054 HD2 LYS A 84 30.313 25.750 16.588 1.00 0.00 H ATOM 1055 HD3 LYS A 84 30.685 25.347 14.895 1.00 0.00 H ATOM 1056 HE2 LYS A 84 32.574 25.517 17.249 1.00 0.00 H ATOM 1057 HE3 LYS A 84 33.150 25.540 15.566 1.00 0.00 H ATOM 1058 HZ1 LYS A 84 31.434 23.440 16.788 1.00 0.00 H ATOM 1059 HZ2 LYS A 84 31.985 23.462 15.181 1.00 0.00 H ATOM 1060 HZ3 LYS A 84 33.094 23.297 16.457 1.00 0.00 H ATOM 1061 H LYS A 84 30.952 28.332 13.065 1.00 0.00 H ATOM 1062 N VAL A 85 28.066 29.955 14.089 1.00 19.39 N ATOM 1063 CA VAL A 85 26.958 30.892 14.183 1.00 19.93 C ATOM 1064 C VAL A 85 25.937 30.632 13.089 1.00 21.22 C ATOM 1065 O VAL A 85 24.739 30.608 13.347 1.00 20.52 O ATOM 1066 CB VAL A 85 27.440 32.336 14.087 1.00 23.39 C ATOM 1067 CG1 VAL A 85 26.290 33.285 13.790 1.00 20.16 C ATOM 1068 CG2 VAL A 85 28.193 32.728 15.349 1.00 24.55 C ATOM 1069 HA VAL A 85 26.492 30.741 15.157 1.00 0.00 H ATOM 1070 HB VAL A 85 28.133 32.414 13.250 1.00 0.00 H ATOM 1071 HG11 VAL A 85 25.829 33.009 12.842 1.00 0.00 H ATOM 1072 HG12 VAL A 85 25.550 33.218 14.588 1.00 0.00 H ATOM 1073 HG13 VAL A 85 26.669 34.305 13.728 1.00 0.00 H ATOM 1074 HG21 VAL A 85 27.532 32.630 16.210 1.00 0.00 H ATOM 1075 HG22 VAL A 85 29.055 32.073 15.475 1.00 0.00 H ATOM 1076 HG23 VAL A 85 28.530 33.761 15.264 1.00 0.00 H ATOM 1077 H VAL A 85 29.031 30.322 13.967 1.00 0.00 H ATOM 1078 N ALA A 86 26.413 30.462 11.862 1.00 18.25 N ATOM 1079 CA ALA A 86 25.518 30.222 10.755 1.00 17.98 C ATOM 1080 C ALA A 86 24.781 28.915 10.999 1.00 20.46 C ATOM 1081 O ALA A 86 23.561 28.846 10.825 1.00 22.17 O ATOM 1082 CB ALA A 86 26.278 30.173 9.443 1.00 20.95 C ATOM 1083 HA ALA A 86 24.801 31.040 10.685 1.00 0.00 H ATOM 1084 HB1 ALA A 86 26.786 31.124 9.283 1.00 0.00 H ATOM 1085 HB2 ALA A 86 27.013 29.369 9.480 1.00 0.00 H ATOM 1086 HB3 ALA A 86 25.579 29.991 8.626 1.00 0.00 H ATOM 1087 H ALA A 86 27.439 30.502 11.697 1.00 0.00 H ATOM 1088 N MET A 87 25.503 27.881 11.423 1.00 18.20 N ATOM 1089 CA MET A 87 24.859 26.582 11.585 1.00 21.60 C ATOM 1090 C MET A 87 23.848 26.651 12.723 1.00 20.79 C ATOM 1091 O MET A 87 22.753 26.133 12.606 1.00 18.58 O ATOM 1092 CB MET A 87 25.876 25.462 11.861 1.00 22.87 C ATOM 1093 CG MET A 87 26.790 25.117 10.696 1.00 27.45 C ATOM 1094 SD MET A 87 27.749 23.608 10.970 1.00 40.34 S ATOM 1095 CE MET A 87 28.820 24.056 12.358 1.00 34.28 C ATOM 1096 HA MET A 87 24.354 26.344 10.649 1.00 0.00 H ATOM 1097 HB2 MET A 87 26.500 25.772 12.699 1.00 0.00 H ATOM 1098 HB3 MET A 87 25.323 24.563 12.134 1.00 0.00 H ATOM 1099 HG2 MET A 87 27.482 25.945 10.540 1.00 0.00 H ATOM 1100 HG3 MET A 87 26.179 24.983 9.803 1.00 0.00 H ATOM 1101 HE1 MET A 87 29.443 24.904 12.075 1.00 0.00 H ATOM 1102 HE2 MET A 87 28.206 24.325 13.217 1.00 0.00 H ATOM 1103 HE3 MET A 87 29.454 23.207 12.615 1.00 0.00 H ATOM 1104 H MET A 87 26.514 27.997 11.636 1.00 0.00 H ATOM 1105 N VAL A 88 24.233 27.280 13.828 1.00 16.37 N ATOM 1106 CA VAL A 88 23.338 27.364 14.979 1.00 16.62 C ATOM 1107 C VAL A 88 22.031 28.061 14.612 1.00 22.17 C ATOM 1108 O VAL A 88 20.939 27.583 14.948 1.00 23.26 O ATOM 1109 CB VAL A 88 23.996 28.070 16.182 1.00 18.87 C ATOM 1110 CG1 VAL A 88 22.947 28.437 17.250 1.00 13.92 C ATOM 1111 CG2 VAL A 88 25.121 27.219 16.768 1.00 22.21 C ATOM 1112 HA VAL A 88 23.119 26.338 15.276 1.00 0.00 H ATOM 1113 HB VAL A 88 24.440 29.000 15.827 1.00 0.00 H ATOM 1114 HG11 VAL A 88 22.206 29.107 16.814 1.00 0.00 H ATOM 1115 HG12 VAL A 88 22.456 27.530 17.602 1.00 0.00 H ATOM 1116 HG13 VAL A 88 23.440 28.933 18.086 1.00 0.00 H ATOM 1117 HG21 VAL A 88 24.716 26.263 17.101 1.00 0.00 H ATOM 1118 HG22 VAL A 88 25.880 27.047 16.005 1.00 0.00 H ATOM 1119 HG23 VAL A 88 25.567 27.741 17.614 1.00 0.00 H ATOM 1120 H VAL A 88 25.177 27.715 13.874 1.00 0.00 H ATOM 1121 N ASN A 89 22.133 29.194 13.925 1.00 20.77 N ATOM 1122 CA ASN A 89 20.934 29.946 13.575 1.00 21.98 C ATOM 1123 C ASN A 89 20.075 29.206 12.551 1.00 21.60 C ATOM 1124 O ASN A 89 18.857 29.169 12.659 1.00 23.15 O ATOM 1125 CB ASN A 89 21.295 31.359 13.094 1.00 16.18 C ATOM 1126 CG ASN A 89 21.864 32.211 14.202 1.00 21.95 C ATOM 1127 OD1 ASN A 89 21.230 32.391 15.244 1.00 27.72 O ATOM 1128 ND2 ASN A 89 23.063 32.738 13.996 1.00 19.75 N ATOM 1129 HA ASN A 89 20.332 30.043 14.479 1.00 0.00 H ATOM 1130 HB2 ASN A 89 22.034 31.280 12.297 1.00 0.00 H ATOM 1131 HB3 ASN A 89 20.396 31.839 12.708 1.00 0.00 H ATOM 1132 HD22 ASN A 89 23.563 32.560 13.101 1.00 0.00 H ATOM 1133 HD21 ASN A 89 23.504 33.329 14.729 1.00 0.00 H ATOM 1134 H ASN A 89 23.069 29.544 13.637 1.00 0.00 H ATOM 1135 N LYS A 90 20.699 28.595 11.566 1.00 21.22 N ATOM 1136 CA LYS A 90 19.923 27.800 10.631 1.00 24.06 C ATOM 1137 C LYS A 90 19.209 26.664 11.360 1.00 23.68 C ATOM 1138 O LYS A 90 18.059 26.349 11.088 1.00 21.66 O ATOM 1139 CB LYS A 90 20.833 27.193 9.559 1.00 33.59 C ATOM 1140 CG LYS A 90 20.111 26.158 8.698 1.00 28.13 C ATOM 1141 CD LYS A 90 20.907 25.756 7.468 1.00 34.02 C ATOM 1142 CE LYS A 90 21.443 24.343 7.582 1.00 40.17 C ATOM 1143 NZ LYS A 90 21.151 23.607 6.331 1.00 47.46 N ATOM 1144 HA LYS A 90 19.190 28.457 10.164 1.00 0.00 H ATOM 1145 HB2 LYS A 90 21.196 27.993 8.914 1.00 0.00 H ATOM 1146 HB3 LYS A 90 21.679 26.712 10.050 1.00 0.00 H ATOM 1147 HG2 LYS A 90 19.929 25.269 9.301 1.00 0.00 H ATOM 1148 HG3 LYS A 90 19.158 26.577 8.375 1.00 0.00 H ATOM 1149 HD2 LYS A 90 20.260 25.819 6.593 1.00 0.00 H ATOM 1150 HD3 LYS A 90 21.745 26.443 7.349 1.00 0.00 H ATOM 1151 HE2 LYS A 90 20.965 23.838 8.422 1.00 0.00 H ATOM 1152 HE3 LYS A 90 22.520 24.374 7.744 1.00 0.00 H ATOM 1153 HZ1 LYS A 90 20.123 23.579 6.179 1.00 0.00 H ATOM 1154 HZ2 LYS A 90 21.608 24.090 5.531 1.00 0.00 H ATOM 1155 HZ3 LYS A 90 21.518 22.637 6.407 1.00 0.00 H ATOM 1156 H LYS A 90 21.730 28.680 11.459 1.00 0.00 H ATOM 1157 N TYR A 91 19.901 26.026 12.292 1.00 26.02 N ATOM 1158 CA TYR A 91 19.296 24.895 12.968 1.00 26.12 C ATOM 1159 C TYR A 91 18.112 25.385 13.808 1.00 26.74 C ATOM 1160 O TYR A 91 17.100 24.708 13.934 1.00 23.40 O ATOM 1161 CB TYR A 91 20.323 24.205 13.847 1.00 23.92 C ATOM 1162 CG TYR A 91 19.843 22.931 14.489 1.00 27.66 C ATOM 1163 CD1 TYR A 91 19.539 21.808 13.723 1.00 29.30 C ATOM 1164 CD2 TYR A 91 19.744 22.833 15.866 1.00 30.50 C ATOM 1165 CE1 TYR A 91 19.132 20.625 14.325 1.00 24.15 C ATOM 1166 CE2 TYR A 91 19.348 21.665 16.472 1.00 28.83 C ATOM 1167 CZ TYR A 91 19.038 20.567 15.704 1.00 30.99 C ATOM 1168 OH TYR A 91 18.630 19.408 16.328 1.00 37.52 O ATOM 1169 HA TYR A 91 18.938 24.176 12.231 1.00 0.00 H ATOM 1170 HB3 TYR A 91 20.613 24.896 14.638 1.00 0.00 H ATOM 1171 HB2 TYR A 91 21.193 23.970 13.234 1.00 0.00 H ATOM 1172 HD2 TYR A 91 19.985 23.699 16.482 1.00 0.00 H ATOM 1173 HE2 TYR A 91 19.280 21.609 17.558 1.00 0.00 H ATOM 1174 HE1 TYR A 91 18.889 19.752 13.718 1.00 0.00 H ATOM 1175 HD1 TYR A 91 19.622 21.859 12.637 1.00 0.00 H ATOM 1176 HH TYR A 91 19.345 19.092 16.936 1.00 0.00 H ATOM 1177 H TYR A 91 20.865 26.332 12.535 1.00 0.00 H ATOM 1178 N ALA A 92 18.238 26.577 14.374 1.00 27.55 N ATOM 1179 CA ALA A 92 17.150 27.093 15.184 1.00 23.40 C ATOM 1180 C ALA A 92 15.908 27.376 14.335 1.00 21.93 C ATOM 1181 O ALA A 92 14.813 26.974 14.716 1.00 22.44 O ATOM 1182 CB ALA A 92 17.583 28.327 15.930 1.00 26.13 C ATOM 1183 HA ALA A 92 16.883 26.327 15.912 1.00 0.00 H ATOM 1184 HB1 ALA A 92 18.422 28.081 16.581 1.00 0.00 H ATOM 1185 HB2 ALA A 92 17.887 29.093 15.217 1.00 0.00 H ATOM 1186 HB3 ALA A 92 16.752 28.697 16.531 1.00 0.00 H ATOM 1187 H ALA A 92 19.105 27.135 14.239 1.00 0.00 H ATOM 1188 N ARG A 93 16.073 28.071 13.206 1.00 19.86 N ATOM 1189 CA ARG A 93 14.925 28.442 12.365 1.00 25.84 C ATOM 1190 C ARG A 93 14.196 27.240 11.801 1.00 24.82 C ATOM 1191 O ARG A 93 12.973 27.226 11.750 1.00 32.29 O ATOM 1192 CB ARG A 93 15.323 29.322 11.182 1.00 26.13 C ATOM 1193 CG ARG A 93 16.178 30.525 11.481 1.00 31.36 C ATOM 1194 CD ARG A 93 15.629 31.467 12.551 1.00 31.24 C ATOM 1195 NE ARG A 93 16.739 32.265 13.056 1.00 30.41 N ATOM 1196 CZ ARG A 93 17.219 32.211 14.295 1.00 25.58 C ATOM 1197 NH1 ARG A 93 16.643 31.449 15.214 1.00 20.14 N ATOM 1198 NH2 ARG A 93 18.258 32.967 14.626 1.00 27.19 N ATOM 1199 HA ARG A 93 14.269 28.992 13.039 1.00 0.00 H ATOM 1200 HB2 ARG A 93 15.870 28.697 10.476 1.00 0.00 H ATOM 1201 HB3 ARG A 93 14.405 29.679 10.714 1.00 0.00 H ATOM 1202 HG2 ARG A 93 17.154 30.171 11.813 1.00 0.00 H ATOM 1203 HG3 ARG A 93 16.294 31.094 10.558 1.00 0.00 H ATOM 1204 HD2 ARG A 93 15.188 30.889 13.363 1.00 0.00 H ATOM 1205 HD3 ARG A 93 14.871 32.119 12.117 1.00 0.00 H ATOM 1206 HE ARG A 93 17.191 32.929 12.395 1.00 0.00 H ATOM 1207 HH12 ARG A 93 17.029 31.416 16.179 1.00 0.00 H ATOM 1208 HH11 ARG A 93 15.805 30.884 14.970 1.00 0.00 H ATOM 1209 HH22 ARG A 93 18.640 32.931 15.593 1.00 0.00 H ATOM 1210 HH21 ARG A 93 18.690 33.595 13.919 1.00 0.00 H ATOM 1211 H ARG A 93 17.031 28.355 12.917 1.00 0.00 H ATOM 1212 N GLU A 94 14.968 26.253 11.357 1.00 27.30 N ATOM 1213 CA GLU A 94 14.428 25.028 10.789 1.00 23.13 C ATOM 1214 C GLU A 94 13.595 24.304 11.810 1.00 30.51 C ATOM 1215 O GLU A 94 12.801 23.433 11.475 1.00 30.57 O ATOM 1216 CB GLU A 94 15.560 24.116 10.301 1.00 26.70 C ATOM 1217 CG GLU A 94 16.266 24.695 9.067 1.00 38.45 C ATOM 1218 CD GLU A 94 17.381 23.817 8.487 1.00 42.15 C ATOM 1219 OE1 GLU A 94 17.985 23.008 9.229 1.00 44.89 O ATOM 1220 OE2 GLU A 94 17.671 23.965 7.279 1.00 41.62 O ATOM 1221 HA GLU A 94 13.799 25.293 9.939 1.00 0.00 H ATOM 1222 HB2 GLU A 94 16.289 23.998 11.103 1.00 0.00 H ATOM 1223 HB3 GLU A 94 15.143 23.142 10.045 1.00 0.00 H ATOM 1224 HG2 GLU A 94 15.517 24.849 8.290 1.00 0.00 H ATOM 1225 HG3 GLU A 94 16.701 25.655 9.345 1.00 0.00 H ATOM 1226 H GLU A 94 16.001 26.361 11.418 1.00 0.00 H ATOM 1227 N ASN A 95 13.787 24.663 13.071 1.00 21.39 N ATOM 1228 CA ASN A 95 13.053 24.033 14.137 1.00 22.39 C ATOM 1229 C ASN A 95 12.100 25.045 14.752 1.00 28.61 C ATOM 1230 O ASN A 95 11.641 24.886 15.883 1.00 25.71 O ATOM 1231 CB ASN A 95 14.021 23.458 15.154 1.00 20.97 C ATOM 1232 CG ASN A 95 14.549 22.098 14.727 1.00 29.98 C ATOM 1233 OD1 ASN A 95 13.888 21.070 14.911 1.00 25.60 O ATOM 1234 ND2 ASN A 95 15.727 22.090 14.111 1.00 24.98 N ATOM 1235 HA ASN A 95 12.457 23.204 13.755 1.00 0.00 H ATOM 1236 HB2 ASN A 95 14.861 24.143 15.268 1.00 0.00 H ATOM 1237 HB3 ASN A 95 13.508 23.353 16.110 1.00 0.00 H ATOM 1238 HD22 ASN A 95 16.250 22.979 13.977 1.00 0.00 H ATOM 1239 HD21 ASN A 95 16.126 21.195 13.763 1.00 0.00 H ATOM 1240 H ASN A 95 14.477 25.409 13.293 1.00 0.00 H ATOM 1241 N GLU A 96 11.830 26.104 13.995 1.00 26.15 N ATOM 1242 CA GLU A 96 10.894 27.144 14.418 1.00 25.02 C ATOM 1243 C GLU A 96 11.198 27.657 15.823 1.00 26.36 C ATOM 1244 O GLU A 96 10.286 27.735 16.657 1.00 27.25 O ATOM 1245 CB GLU A 96 9.451 26.608 14.389 1.00 26.59 C ATOM 1246 CG GLU A 96 9.176 25.501 13.362 1.00 37.71 C ATOM 1247 CD GLU A 96 8.682 26.033 12.021 1.00 50.89 C ATOM 1248 OE1 GLU A 96 9.167 27.107 11.597 1.00 51.17 O ATOM 1249 OE2 GLU A 96 7.820 25.373 11.382 1.00 45.91 O ATOM 1250 HA GLU A 96 11.006 27.972 13.718 1.00 0.00 H ATOM 1251 HB2 GLU A 96 9.219 26.213 15.378 1.00 0.00 H ATOM 1252 HB3 GLU A 96 8.787 27.444 14.168 1.00 0.00 H ATOM 1253 HG2 GLU A 96 10.099 24.946 13.196 1.00 0.00 H ATOM 1254 HG3 GLU A 96 8.419 24.831 13.769 1.00 0.00 H ATOM 1255 H GLU A 96 12.300 26.195 13.072 1.00 0.00 H ATOM 1256 N HIS A 97 12.460 27.996 16.094 1.00 22.45 N ATOM 1257 CA HIS A 97 12.798 28.715 17.335 1.00 19.26 C ATOM 1258 C HIS A 97 13.502 30.047 17.027 1.00 23.61 C ATOM 1259 O HIS A 97 14.241 30.146 16.040 1.00 29.35 O ATOM 1260 CB HIS A 97 13.660 27.860 18.265 1.00 17.71 C ATOM 1261 CG HIS A 97 13.054 26.538 18.634 1.00 19.13 C ATOM 1262 ND1 HIS A 97 11.756 26.408 19.099 1.00 23.67 N ATOM 1263 CD2 HIS A 97 13.574 25.291 18.624 1.00 15.59 C ATOM 1264 CE1 HIS A 97 11.504 25.137 19.341 1.00 21.86 C ATOM 1265 NE2 HIS A 97 12.588 24.433 19.061 1.00 27.21 N ATOM 1266 HA HIS A 97 11.861 28.929 17.849 1.00 0.00 H ATOM 1267 HB2 HIS A 97 14.613 27.672 17.770 1.00 0.00 H ATOM 1268 HB3 HIS A 97 13.834 28.423 19.182 1.00 0.00 H ATOM 1269 HD2 HIS A 97 14.585 25.015 18.326 1.00 0.00 H ATOM 1270 HE1 HIS A 97 10.561 24.734 19.710 1.00 0.00 H ATOM 1271 H HIS A 97 13.214 27.750 15.421 1.00 0.00 H ATOM 1272 N PRO A 98 13.266 31.082 17.849 1.00 21.31 N ATOM 1273 CA PRO A 98 13.915 32.372 17.588 1.00 19.12 C ATOM 1274 C PRO A 98 15.361 32.445 18.101 1.00 20.16 C ATOM 1275 O PRO A 98 15.965 33.539 18.084 1.00 26.54 O ATOM 1276 CB PRO A 98 13.050 33.345 18.373 1.00 19.83 C ATOM 1277 CG PRO A 98 12.576 32.564 19.527 1.00 15.07 C ATOM 1278 CD PRO A 98 12.360 31.153 19.007 1.00 23.07 C ATOM 1279 HA PRO A 98 13.988 32.571 16.519 1.00 0.00 H ATOM 1280 HD3 PRO A 98 12.629 30.413 19.760 1.00 0.00 H ATOM 1281 HD2 PRO A 98 11.324 31.002 18.704 1.00 0.00 H ATOM 1282 HG3 PRO A 98 11.642 32.976 19.908 1.00 0.00 H ATOM 1283 HG2 PRO A 98 13.323 32.567 20.321 1.00 0.00 H ATOM 1284 HB2 PRO A 98 13.636 34.203 18.702 1.00 0.00 H ATOM 1285 HB3 PRO A 98 12.211 33.689 17.769 1.00 0.00 H ATOM 1286 N LEU A 99 15.908 31.318 18.559 1.00 17.94 N ATOM 1287 CA LEU A 99 17.219 31.314 19.222 1.00 16.12 C ATOM 1288 C LEU A 99 18.293 32.026 18.399 1.00 20.34 C ATOM 1289 O LEU A 99 18.512 31.699 17.212 1.00 17.25 O ATOM 1290 CB LEU A 99 17.670 29.898 19.527 1.00 18.96 C ATOM 1291 CG LEU A 99 19.102 29.875 20.069 1.00 24.58 C ATOM 1292 CD1 LEU A 99 19.177 30.512 21.501 1.00 12.55 C ATOM 1293 CD2 LEU A 99 19.623 28.459 20.033 1.00 17.57 C ATOM 1294 HA LEU A 99 17.092 31.864 20.155 1.00 0.00 H ATOM 1295 HB2 LEU A 99 17.001 29.464 20.271 1.00 0.00 H ATOM 1296 HB3 LEU A 99 17.627 29.306 18.613 1.00 0.00 H ATOM 1297 HG LEU A 99 19.744 30.487 19.436 1.00 0.00 H ATOM 1298 HD21 LEU A 99 18.987 27.824 20.650 1.00 0.00 H ATOM 1299 HD22 LEU A 99 19.614 28.096 19.005 1.00 0.00 H ATOM 1300 HD23 LEU A 99 20.642 28.438 20.418 1.00 0.00 H ATOM 1301 HD11 LEU A 99 18.839 31.547 21.455 1.00 0.00 H ATOM 1302 HD12 LEU A 99 18.538 29.949 22.181 1.00 0.00 H ATOM 1303 HD13 LEU A 99 20.206 30.481 21.858 1.00 0.00 H ATOM 1304 H LEU A 99 15.394 30.421 18.444 1.00 0.00 H ATOM 1305 N LEU A 100 18.942 33.003 19.028 1.00 16.24 N ATOM 1306 CA LEU A 100 19.905 33.841 18.339 1.00 19.10 C ATOM 1307 C LEU A 100 21.344 33.593 18.781 1.00 21.26 C ATOM 1308 O LEU A 100 21.692 33.701 19.973 1.00 16.96 O ATOM 1309 CB LEU A 100 19.572 35.321 18.522 1.00 22.94 C ATOM 1310 CG LEU A 100 20.535 36.232 17.748 1.00 28.64 C ATOM 1311 CD1 LEU A 100 20.507 35.911 16.247 1.00 29.18 C ATOM 1312 CD2 LEU A 100 20.224 37.709 17.993 1.00 26.63 C ATOM 1313 HA LEU A 100 19.832 33.569 17.286 1.00 0.00 H ATOM 1314 HB2 LEU A 100 18.557 35.499 18.166 1.00 0.00 H ATOM 1315 HB3 LEU A 100 19.632 35.566 19.582 1.00 0.00 H ATOM 1316 HG LEU A 100 21.541 36.038 18.119 1.00 0.00 H ATOM 1317 HD21 LEU A 100 19.206 37.924 17.667 1.00 0.00 H ATOM 1318 HD22 LEU A 100 20.320 37.928 19.057 1.00 0.00 H ATOM 1319 HD23 LEU A 100 20.925 38.325 17.430 1.00 0.00 H ATOM 1320 HD11 LEU A 100 20.805 34.874 16.093 1.00 0.00 H ATOM 1321 HD12 LEU A 100 19.498 36.061 15.863 1.00 0.00 H ATOM 1322 HD13 LEU A 100 21.198 36.571 15.723 1.00 0.00 H ATOM 1323 H LEU A 100 18.754 33.170 20.037 1.00 0.00 H ATOM 1324 N CYS A 101 22.169 33.254 17.797 1.00 15.60 N ATOM 1325 CA CYS A 101 23.582 33.079 18.002 1.00 16.74 C ATOM 1326 C CYS A 101 24.289 34.173 17.210 1.00 23.40 C ATOM 1327 O CYS A 101 23.900 34.463 16.077 1.00 21.36 O ATOM 1328 CB CYS A 101 23.981 31.693 17.518 1.00 20.93 C ATOM 1329 SG CYS A 101 25.653 31.276 17.846 1.00 24.34 S ATOM 1330 HA CYS A 101 23.857 33.156 19.054 1.00 0.00 H ATOM 1331 HB2 CYS A 101 23.821 31.647 16.441 1.00 0.00 H ATOM 1332 HB3 CYS A 101 23.342 30.960 18.011 1.00 0.00 H ATOM 1333 HG CYS A 101 25.911 30.007 17.370 1.00 0.00 H ATOM 1334 H CYS A 101 21.779 33.110 16.844 1.00 0.00 H ATOM 1335 N THR A 102 25.303 34.795 17.812 1.00 17.80 N ATOM 1336 CA THR A 102 25.966 35.953 17.218 1.00 23.63 C ATOM 1337 C THR A 102 27.477 35.898 17.460 1.00 27.42 C ATOM 1338 O THR A 102 27.945 35.126 18.293 1.00 23.76 O ATOM 1339 CB THR A 102 25.395 37.255 17.797 1.00 31.27 C ATOM 1340 OG1 THR A 102 25.894 38.369 17.055 1.00 40.24 O ATOM 1341 CG2 THR A 102 25.799 37.420 19.259 1.00 23.55 C ATOM 1342 HA THR A 102 25.783 35.931 16.144 1.00 0.00 H ATOM 1343 HB THR A 102 24.308 37.211 17.729 1.00 0.00 H ATOM 1344 HG1 THR A 102 25.621 38.282 16.107 1.00 0.00 H ATOM 1345 HG23 THR A 102 25.423 36.575 19.836 1.00 0.00 H ATOM 1346 HG21 THR A 102 26.886 37.457 19.332 1.00 0.00 H ATOM 1347 HG22 THR A 102 25.375 38.345 19.650 1.00 0.00 H ATOM 1348 H THR A 102 25.632 34.444 18.734 1.00 0.00 H ATOM 1349 N LEU A 103 28.254 36.696 16.744 1.00 23.10 N ATOM 1350 CA LEU A 103 29.667 36.741 17.064 1.00 24.99 C ATOM 1351 C LEU A 103 30.203 38.087 17.566 1.00 26.02 C ATOM 1352 O LEU A 103 29.623 39.145 17.350 1.00 27.60 O ATOM 1353 CB LEU A 103 30.535 36.117 15.970 1.00 22.63 C ATOM 1354 CG LEU A 103 30.449 36.511 14.507 1.00 28.22 C ATOM 1355 CD1 LEU A 103 30.724 37.987 14.351 1.00 42.47 C ATOM 1356 CD2 LEU A 103 31.484 35.705 13.784 1.00 27.33 C ATOM 1357 HA LEU A 103 29.751 36.105 17.946 1.00 0.00 H ATOM 1358 HB2 LEU A 103 31.567 36.300 16.268 1.00 0.00 H ATOM 1359 HB3 LEU A 103 30.333 35.046 16.003 1.00 0.00 H ATOM 1360 HG LEU A 103 29.455 36.319 14.103 1.00 0.00 H ATOM 1361 HD21 LEU A 103 32.469 35.933 14.191 1.00 0.00 H ATOM 1362 HD22 LEU A 103 31.272 34.644 13.914 1.00 0.00 H ATOM 1363 HD23 LEU A 103 31.461 35.954 12.723 1.00 0.00 H ATOM 1364 HD11 LEU A 103 29.987 38.555 14.919 1.00 0.00 H ATOM 1365 HD12 LEU A 103 31.723 38.211 14.724 1.00 0.00 H ATOM 1366 HD13 LEU A 103 30.659 38.258 13.297 1.00 0.00 H ATOM 1367 H LEU A 103 27.862 37.274 15.974 1.00 0.00 H ATOM 1368 N GLU A 104 31.303 38.009 18.291 1.00 30.87 N ATOM 1369 CA GLU A 104 31.928 39.174 18.876 1.00 33.20 C ATOM 1370 C GLU A 104 33.418 38.975 18.705 1.00 30.70 C ATOM 1371 O GLU A 104 33.932 37.881 18.967 1.00 26.49 O ATOM 1372 CB GLU A 104 31.605 39.210 20.361 1.00 28.74 C ATOM 1373 CG GLU A 104 31.200 40.563 20.858 1.00 54.83 C ATOM 1374 CD GLU A 104 30.762 40.529 22.298 1.00 69.90 C ATOM 1375 OE1 GLU A 104 30.208 41.536 22.778 1.00 78.49 O ATOM 1376 OE2 GLU A 104 30.947 39.491 22.969 1.00 75.11 O ATOM 1377 HA GLU A 104 31.584 40.098 18.412 1.00 0.00 H ATOM 1378 HB2 GLU A 104 30.788 38.514 20.552 1.00 0.00 H ATOM 1379 HB3 GLU A 104 32.489 38.891 20.913 1.00 0.00 H ATOM 1380 HG2 GLU A 104 32.048 41.241 20.764 1.00 0.00 H ATOM 1381 HG3 GLU A 104 30.375 40.929 20.248 1.00 0.00 H ATOM 1382 H GLU A 104 31.736 37.076 18.447 1.00 0.00 H ATOM 1383 N LYS A 105 34.118 40.015 18.273 1.00 30.19 N ATOM 1384 CA LYS A 105 35.567 39.945 18.195 1.00 37.51 C ATOM 1385 C LYS A 105 36.092 39.844 19.625 1.00 34.72 C ATOM 1386 O LYS A 105 35.695 40.613 20.501 1.00 38.40 O ATOM 1387 CB LYS A 105 36.127 41.174 17.476 1.00 42.23 C ATOM 1388 CG LYS A 105 37.636 41.179 17.268 1.00 44.25 C ATOM 1389 CD LYS A 105 38.008 42.125 16.125 1.00 53.88 C ATOM 1390 CE LYS A 105 39.141 43.071 16.514 1.00 64.53 C ATOM 1391 NZ LYS A 105 40.341 42.340 17.032 1.00 83.51 N ATOM 1392 HA LYS A 105 35.885 39.076 17.619 1.00 0.00 H ATOM 1393 HB2 LYS A 105 35.652 41.236 16.497 1.00 0.00 H ATOM 1394 HB3 LYS A 105 35.865 42.055 18.062 1.00 0.00 H ATOM 1395 HG2 LYS A 105 38.125 41.511 18.184 1.00 0.00 H ATOM 1396 HG3 LYS A 105 37.970 40.170 17.024 1.00 0.00 H ATOM 1397 HD2 LYS A 105 38.322 41.533 15.266 1.00 0.00 H ATOM 1398 HD3 LYS A 105 37.132 42.716 15.857 1.00 0.00 H ATOM 1399 HE2 LYS A 105 38.782 43.748 17.289 1.00 0.00 H ATOM 1400 HE3 LYS A 105 39.433 43.647 15.636 1.00 0.00 H ATOM 1401 HZ1 LYS A 105 40.075 41.792 17.875 1.00 0.00 H ATOM 1402 HZ2 LYS A 105 40.697 41.696 16.297 1.00 0.00 H ATOM 1403 HZ3 LYS A 105 41.082 43.026 17.282 1.00 0.00 H ATOM 1404 H LYS A 105 33.627 40.886 17.988 1.00 0.00 H ATOM 1405 N ALA A 106 36.958 38.870 19.868 1.00 28.31 N ATOM 1406 CA ALA A 106 37.477 38.614 21.216 1.00 36.11 C ATOM 1407 C ALA A 106 38.508 39.665 21.611 1.00 43.35 C ATOM 1408 O ALA A 106 38.166 40.648 22.258 1.00 51.88 O ATOM 1409 CB ALA A 106 38.087 37.237 21.284 1.00 30.09 C ATOM 1410 HA ALA A 106 36.646 38.670 21.919 1.00 0.00 H ATOM 1411 HB1 ALA A 106 37.328 36.492 21.045 1.00 0.00 H ATOM 1412 HB2 ALA A 106 38.904 37.167 20.566 1.00 0.00 H ATOM 1413 HB3 ALA A 106 38.468 37.059 22.289 1.00 0.00 H ATOM 1414 H ALA A 106 37.278 38.271 19.081 1.00 0.00 H TER 1415 ALA A 106 HETATM 1416 O HOH 1 37.046 45.502 0.847 1.00 46.77 O HETATM 1417 O HOH 2 52.209 35.396 11.889 1.00 42.20 O HETATM 1418 O HOH 3 52.363 35.345 9.248 1.00 46.17 O HETATM 1419 O HOH 4 42.405 39.313 19.314 1.00 46.48 O HETATM 1420 O HOH 5 34.864 42.088 13.233 1.00 33.58 O HETATM 1421 O HOH 6 17.869 33.873 21.511 1.00 22.38 O HETATM 1422 O HOH 7 14.804 34.737 31.555 1.00 36.93 O HETATM 1423 O HOH 8 13.790 37.356 29.205 1.00 33.37 O HETATM 1424 O HOH 9 7.468 31.636 27.218 1.00 36.95 O HETATM 1425 O HOH 10 11.692 38.520 25.207 1.00 41.64 O HETATM 1426 O HOH 11 12.214 36.291 23.870 1.00 29.22 O HETATM 1427 O HOH 12 28.397 18.399 35.892 1.00 46.43 O HETATM 1428 O HOH 13 15.217 17.061 22.431 1.00 44.70 O HETATM 1429 O HOH 14 21.547 16.427 18.154 1.00 45.85 O HETATM 1430 O HOH 15 22.967 16.382 21.047 1.00 42.10 O HETATM 1431 O HOH 16 40.503 25.095 20.166 1.00 38.12 O HETATM 1432 O HOH 17 29.740 21.824 13.932 1.00 45.74 O HETATM 1433 O HOH 18 33.436 24.516 22.280 1.00 33.99 O HETATM 1434 O HOH 19 32.858 17.783 26.741 1.00 46.10 O HETATM 1435 O HOH 20 35.003 18.283 24.305 1.00 46.25 O HETATM 1436 O HOH 21 12.657 21.176 21.998 1.00 36.25 O HETATM 1437 O HOH 22 29.793 15.588 33.177 1.00 44.66 O HETATM 1438 O HOH 23 30.886 21.307 34.827 1.00 51.74 O HETATM 1439 O HOH 24 28.406 21.519 34.553 1.00 41.59 O HETATM 1440 O HOH 25 15.897 34.237 33.931 1.00 35.07 O HETATM 1441 O HOH 26 12.063 29.744 33.533 1.00 32.90 O HETATM 1442 O HOH 27 18.518 37.972 31.722 1.00 36.01 O HETATM 1443 O HOH 28 22.599 39.169 35.302 1.00 37.56 O HETATM 1444 O HOH 29 36.538 27.783 22.983 1.00 38.79 O HETATM 1445 O HOH 30 40.026 27.749 19.773 1.00 27.40 O HETATM 1446 O HOH 31 39.220 28.084 16.506 1.00 28.50 O HETATM 1447 O HOH 32 28.226 33.626 10.013 1.00 26.96 O HETATM 1448 O HOH 33 32.093 22.364 13.353 1.00 40.15 O HETATM 1449 O HOH 34 22.606 24.016 10.817 1.00 32.95 O HETATM 1450 O HOH 35 23.477 33.537 10.862 1.00 30.47 O HETATM 1451 O HOH 36 23.203 24.504 4.451 1.00 40.33 O HETATM 1452 O HOH 37 18.660 15.443 15.916 1.00 36.27 O HETATM 1453 O HOH 38 12.389 21.156 19.142 1.00 43.58 O HETATM 1454 O HOH 39 16.781 35.567 19.447 1.00 35.60 O HETATM 1455 O HOH 40 24.076 36.889 14.073 1.00 39.62 O HETATM 1456 O HOH 41 26.803 38.738 14.230 1.00 35.58 O HETATM 1457 O HOH 42 27.584 41.081 16.476 1.00 48.15 O HETATM 1458 O HOH 43 13.622 33.496 29.403 1.00 24.11 O HETATM 1459 O HOH 44 10.508 31.332 31.535 1.00 27.64 O HETATM 1460 O HOH 45 10.422 28.755 31.846 1.00 29.08 O HETATM 1461 O HOH 46 13.811 15.006 33.261 1.00 43.84 O HETATM 1462 O HOH 47 12.604 25.847 35.063 1.00 46.20 O HETATM 1463 O HOH 48 16.222 21.455 37.411 1.00 28.30 O HETATM 1464 N PHE A 49 15.219 31.475 28.525 1.00 0.24 N HETATM 1465 CA PHE A 49 14.491 30.440 27.797 1.00 0.07 C HETATM 1466 C PHE A 49 13.309 29.875 28.553 1.00 0.23 C HETATM 1467 O PHE A 49 13.065 30.211 29.702 1.00 -0.39 O HETATM 1468 N PHE A 49 12.582 28.991 27.886 1.00 -0.26 N HETATM 1469 CA PHE A 49 11.353 28.454 28.445 1.00 0.13 C HETATM 1470 C PHE A 49 11.548 26.968 28.781 1.00 0.20 C HETATM 1471 O PHE A 49 12.030 26.188 27.953 1.00 -0.39 O HETATM 1472 N PHE A 49 11.202 26.586 30.006 1.00 -0.26 N HETATM 1473 CA PHE A 49 11.249 25.176 30.397 1.00 0.15 C HETATM 1474 C PHE A 49 9.895 24.566 30.125 1.00 0.21 C HETATM 1475 O PHE A 49 8.899 25.277 29.970 1.00 -0.39 O HETATM 1476 N PHE A 49 9.857 23.245 30.064 1.00 -0.26 N HETATM 1477 CA PHE A 49 8.600 22.547 29.893 1.00 0.13 C HETATM 1478 C PHE A 49 8.456 21.565 31.045 1.00 0.20 C HETATM 1479 O PHE A 49 7.678 20.615 30.971 1.00 -0.39 O HETATM 1480 N PHE A 49 9.212 21.816 32.114 1.00 -0.27 N HETATM 1481 CA PHE A 49 9.342 20.876 33.214 1.00 0.12 C HETATM 1482 C PHE A 49 9.921 19.547 32.754 1.00 0.20 C HETATM 1483 O PHE A 49 9.226 18.739 32.129 1.00 -0.39 O HETATM 1484 N PHE A 49 11.196 19.314 33.053 1.00 -0.26 N HETATM 1485 CA PHE A 49 11.851 18.059 32.672 1.00 0.13 C HETATM 1486 C PHE A 49 12.359 17.183 33.840 1.00 0.20 C HETATM 1487 O PHE A 49 11.784 16.112 34.085 1.00 -0.39 O HETATM 1488 N PHE A 49 13.394 17.600 34.582 1.00 -0.26 N HETATM 1489 CA PHE A 49 14.028 18.923 34.568 1.00 0.13 C HETATM 1490 C PHE A 49 14.868 18.950 35.830 1.00 0.20 C HETATM 1491 O PHE A 49 14.340 18.631 36.900 1.00 -0.39 O HETATM 1492 N PHE A 49 16.152 19.305 35.757 1.00 -0.26 N HETATM 1493 CA PHE A 49 16.874 19.683 34.550 1.00 0.13 C HETATM 1494 C PHE A 49 18.220 18.957 34.588 1.00 0.20 C HETATM 1495 O PHE A 49 18.933 18.876 33.583 1.00 -0.39 O HETATM 1496 N PHE A 49 18.558 18.431 35.767 1.00 -0.26 N HETATM 1497 CA PHE A 49 19.866 17.804 36.027 1.00 0.14 C HETATM 1498 C PHE A 49 21.014 18.805 35.876 1.00 0.21 C HETATM 1499 O PHE A 49 22.029 18.502 35.265 1.00 -0.39 O HETATM 1500 N PHE A 49 20.815 19.996 36.442 1.00 -0.26 N HETATM 1501 CA PHE A 49 21.783 21.099 36.477 1.00 0.14 C HETATM 1502 C PHE A 49 21.092 22.461 36.486 1.00 0.13 C HETATM 1503 O PHE A 49 20.152 22.698 37.255 1.00 -0.37 O HETATM 1504 H80 PHE A 49 21.433 23.238 35.803 1.00 0.14 H HETATM 1505 CB PHE A 49 22.779 21.102 35.320 1.00 0.09 C HETATM 1506 OG1 PHE A 49 23.806 20.152 35.576 1.00 -0.39 O HETATM 1507 H82 PHE A 49 23.422 19.287 35.662 1.00 0.21 H HETATM 1508 CG2 PHE A 49 23.415 22.474 35.205 1.00 -0.03 C HETATM 1509 H83 PHE A 49 24.133 22.477 34.371 1.00 0.03 H HETATM 1510 H84 PHE A 49 23.940 22.715 36.141 1.00 0.03 H HETATM 1511 H85 PHE A 49 22.634 23.226 35.019 1.00 0.03 H HETATM 1512 H81 PHE A 49 22.260 20.850 34.383 1.00 0.06 H HETATM 1513 H79 PHE A 49 22.354 20.995 37.411 1.00 0.08 H HETATM 1514 H78 PHE A 49 19.930 20.151 36.880 1.00 0.19 H HETATM 1515 CB PHE A 49 20.091 16.550 35.160 1.00 0.02 C HETATM 1516 CG PHE A 49 18.823 15.837 34.800 1.00 -0.04 C HETATM 1517 CD1 PHE A 49 17.911 15.481 35.781 1.00 -0.06 C HETATM 1518 CE1 PHE A 49 16.722 14.845 35.455 1.00 -0.07 C HETATM 1519 CZ PHE A 49 16.444 14.549 34.146 1.00 -0.07 C HETATM 1520 CE2 PHE A 49 17.348 14.894 33.154 1.00 -0.07 C HETATM 1521 CD2 PHE A 49 18.529 15.537 33.484 1.00 -0.06 C HETATM 1522 H74 PHE A 49 19.230 15.808 32.702 1.00 0.06 H HETATM 1523 H76 PHE A 49 17.130 14.660 32.118 1.00 0.06 H HETATM 1524 H77 PHE A 49 15.519 14.046 33.887 1.00 0.06 H HETATM 1525 H75 PHE A 49 16.015 14.583 36.233 1.00 0.06 H HETATM 1526 H73 PHE A 49 18.130 15.703 36.819 1.00 0.06 H HETATM 1527 H71 PHE A 49 20.736 15.854 35.716 1.00 0.05 H HETATM 1528 H72 PHE A 49 20.595 16.855 34.231 1.00 0.05 H HETATM 1529 H70 PHE A 49 19.861 17.473 37.076 1.00 0.08 H HETATM 1530 H69 PHE A 49 17.891 18.464 36.511 1.00 0.19 H HETATM 1531 CB PHE A 49 17.127 21.187 34.582 1.00 -0.01 C HETATM 1532 CG PHE A 49 17.637 22.028 33.414 1.00 -0.04 C HETATM 1533 CD1 PHE A 49 16.809 21.812 32.154 1.00 -0.06 C HETATM 1534 H63 PHE A 49 17.210 22.435 31.341 1.00 0.02 H HETATM 1535 H64 PHE A 49 15.764 22.093 32.350 1.00 0.02 H HETATM 1536 H65 PHE A 49 16.856 20.753 31.862 1.00 0.02 H HETATM 1537 CD2 PHE A 49 17.617 23.494 33.827 1.00 -0.06 C HETATM 1538 H66 PHE A 49 18.220 23.627 34.737 1.00 0.02 H HETATM 1539 H67 PHE A 49 16.581 23.805 34.025 1.00 0.02 H HETATM 1540 H68 PHE A 49 18.036 24.109 33.017 1.00 0.02 H HETATM 1541 H62 PHE A 49 18.675 21.734 33.197 1.00 0.03 H HETATM 1542 H60 PHE A 49 17.856 21.341 35.391 1.00 0.03 H HETATM 1543 H61 PHE A 49 16.164 21.637 34.865 1.00 0.03 H HETATM 1544 H59 PHE A 49 16.305 19.407 33.650 1.00 0.08 H HETATM 1545 H58 PHE A 49 16.668 19.312 36.613 1.00 0.19 H HETATM 1546 CB PHE A 49 12.978 20.013 34.706 1.00 -0.00 C HETATM 1547 CG PHE A 49 13.469 21.287 35.347 1.00 0.00 C HETATM 1548 CD PHE A 49 13.638 22.399 34.346 1.00 0.04 C HETATM 1549 OE1 PHE A 49 13.668 22.107 33.131 1.00 -0.57 O HETATM 1550 OE2 PHE A 49 13.736 23.565 34.780 1.00 -0.57 O HETATM 1551 H56 PHE A 49 14.440 21.091 35.826 1.00 0.04 H HETATM 1552 H57 PHE A 49 12.741 21.604 36.109 1.00 0.04 H HETATM 1553 H54 PHE A 49 12.153 19.618 35.318 1.00 0.03 H HETATM 1554 H55 PHE A 49 12.605 20.258 33.701 1.00 0.03 H HETATM 1555 H53 PHE A 49 14.634 19.072 33.662 1.00 0.08 H HETATM 1556 H52 PHE A 49 13.779 16.932 35.219 1.00 0.19 H HETATM 1557 CB PHE A 49 12.955 18.298 31.630 1.00 -0.00 C HETATM 1558 CG PHE A 49 12.509 19.134 30.432 1.00 0.00 C HETATM 1559 CD PHE A 49 12.994 20.573 30.512 1.00 0.04 C HETATM 1560 OE1 PHE A 49 12.190 21.497 30.247 1.00 -0.57 O HETATM 1561 OE2 PHE A 49 14.184 20.776 30.840 1.00 -0.57 O HETATM 1562 H50 PHE A 49 11.410 19.134 30.392 1.00 0.04 H HETATM 1563 H51 PHE A 49 12.909 18.677 29.515 1.00 0.04 H HETATM 1564 H48 PHE A 49 13.299 17.321 31.261 1.00 0.03 H HETATM 1565 H49 PHE A 49 13.789 18.818 32.123 1.00 0.03 H HETATM 1566 H47 PHE A 49 11.075 17.462 32.171 1.00 0.08 H HETATM 1567 H46 PHE A 49 11.718 20.009 33.548 1.00 0.19 H HETATM 1568 H44 PHE A 49 8.348 20.699 33.651 1.00 0.08 H HETATM 1569 H45 PHE A 49 10.006 21.309 33.976 1.00 0.08 H HETATM 1570 H43 PHE A 49 9.708 22.683 32.160 1.00 0.19 H HETATM 1571 CB PHE A 49 8.592 21.827 28.551 1.00 -0.01 C HETATM 1572 CG PHE A 49 9.062 22.695 27.389 1.00 -0.04 C HETATM 1573 CD PHE A 49 9.565 21.850 26.224 1.00 -0.01 C HETATM 1574 CE PHE A 49 8.480 20.916 25.721 1.00 -0.04 C HETATM 1575 NZ PHE A 49 7.246 21.672 25.364 1.00 0.22 N HETATM 1576 H40 PHE A 49 6.543 21.030 25.034 1.00 0.20 H HETATM 1577 H41 PHE A 49 7.459 22.340 24.639 1.00 0.20 H HETATM 1578 H42 PHE A 49 6.902 22.157 26.178 1.00 0.20 H HETATM 1579 H38 PHE A 49 8.240 20.187 26.509 1.00 0.08 H HETATM 1580 H39 PHE A 49 8.847 20.386 24.830 1.00 0.08 H HETATM 1581 H36 PHE A 49 10.427 21.253 26.558 1.00 0.03 H HETATM 1582 H37 PHE A 49 9.875 22.515 25.405 1.00 0.03 H HETATM 1583 H34 PHE A 49 9.878 23.345 27.737 1.00 0.03 H HETATM 1584 H35 PHE A 49 8.221 23.315 27.044 1.00 0.03 H HETATM 1585 H32 PHE A 49 7.565 21.493 28.342 1.00 0.03 H HETATM 1586 H33 PHE A 49 9.255 20.952 28.622 1.00 0.03 H HETATM 1587 H31 PHE A 49 7.769 23.267 29.919 1.00 0.08 H HETATM 1588 H30 PHE A 49 10.706 22.722 30.137 1.00 0.19 H HETATM 1589 CB PHE A 49 11.568 25.024 31.875 1.00 0.08 C HETATM 1590 OG PHE A 49 10.666 25.793 32.646 1.00 -0.39 O HETATM 1591 H29 PHE A 49 10.742 26.708 32.402 1.00 0.21 H HETATM 1592 H27 PHE A 49 12.595 25.370 32.063 1.00 0.06 H HETATM 1593 H28 PHE A 49 11.480 23.965 32.160 1.00 0.06 H HETATM 1594 H26 PHE A 49 12.018 24.658 29.805 1.00 0.08 H HETATM 1595 H25 PHE A 49 10.905 27.272 30.671 1.00 0.19 H HETATM 1596 CB PHE A 49 10.213 28.640 27.445 1.00 -0.01 C HETATM 1597 CG PHE A 49 9.179 27.524 27.472 1.00 -0.02 C HETATM 1598 CD PHE A 49 8.193 27.674 26.342 1.00 0.06 C HETATM 1599 NE PHE A 49 6.938 26.994 26.638 1.00 -0.27 N HETATM 1600 CZ PHE A 49 6.670 25.731 26.322 1.00 0.29 C HETATM 1601 NH1 PHE A 49 7.573 24.988 25.689 1.00 -0.28 N HETATM 1602 H21 PHE A 49 7.358 24.010 25.448 1.00 0.26 H HETATM 1603 H22 PHE A 49 8.488 25.390 25.440 1.00 0.26 H HETATM 1604 NH2 PHE A 49 5.490 25.214 26.641 1.00 -0.28 N HETATM 1605 H23 PHE A 49 4.791 25.790 27.131 1.00 0.26 H HETATM 1606 H24 PHE A 49 5.273 24.237 26.398 1.00 0.26 H HETATM 1607 H20 PHE A 49 6.207 27.530 27.127 1.00 0.26 H HETATM 1608 H18 PHE A 49 8.627 27.242 25.428 1.00 0.07 H HETATM 1609 H19 PHE A 49 7.992 28.744 26.182 1.00 0.07 H HETATM 1610 H16 PHE A 49 8.637 27.558 28.429 1.00 0.03 H HETATM 1611 H17 PHE A 49 9.692 26.556 27.376 1.00 0.03 H HETATM 1612 H14 PHE A 49 10.644 28.688 26.434 1.00 0.03 H HETATM 1613 H15 PHE A 49 9.704 29.588 27.672 1.00 0.03 H HETATM 1614 H13 PHE A 49 11.109 28.999 29.369 1.00 0.08 H HETATM 1615 H12 PHE A 49 12.884 28.688 26.982 1.00 0.19 H HETATM 1616 CB PHE A 49 15.436 29.315 27.388 1.00 0.04 C HETATM 1617 CG PHE A 49 16.633 29.800 26.626 1.00 -0.04 C HETATM 1618 CD1 PHE A 49 16.489 30.317 25.352 1.00 -0.06 C HETATM 1619 CE1 PHE A 49 17.602 30.775 24.636 1.00 -0.07 C HETATM 1620 CZ PHE A 49 18.859 30.705 25.190 1.00 -0.07 C HETATM 1621 CE2 PHE A 49 19.003 30.203 26.493 1.00 -0.07 C HETATM 1622 CD2 PHE A 49 17.899 29.764 27.193 1.00 -0.06 C HETATM 1623 H8 PHE A 49 18.022 29.385 28.201 1.00 0.06 H HETATM 1624 H10 PHE A 49 19.985 30.160 26.950 1.00 0.06 H HETATM 1625 H11 PHE A 49 19.726 31.033 24.628 1.00 0.06 H HETATM 1626 H9 PHE A 49 17.472 31.186 23.641 1.00 0.06 H HETATM 1627 H7 PHE A 49 15.504 30.368 24.902 1.00 0.06 H HETATM 1628 H5 PHE A 49 14.883 28.605 26.756 1.00 0.05 H HETATM 1629 H6 PHE A 49 15.784 28.802 28.297 1.00 0.05 H HETATM 1630 H4 PHE A 49 14.099 30.903 26.880 1.00 0.11 H HETATM 1631 H1 PHE A 49 15.989 31.803 27.963 1.00 0.20 H HETATM 1632 H2 PHE A 49 15.572 31.093 29.388 1.00 0.20 H HETATM 1633 H3 PHE A 49 14.599 32.244 28.726 1.00 0.20 H CONECT 1 2 24 25 26 CONECT 24 1 CONECT 25 1 CONECT 26 1 CONECT 1464 1465 1631 1632 1633 CONECT 1465 1464 1466 1616 1630 CONECT 1466 1465 1467 1468 CONECT 1467 1466 CONECT 1468 1466 1469 1615 CONECT 1469 1468 1470 1596 1614 CONECT 1470 1469 1471 1472 CONECT 1471 1470 CONECT 1472 1470 1473 1595 CONECT 1473 1472 1474 1589 1594 CONECT 1474 1473 1475 1476 CONECT 1475 1474 CONECT 1476 1474 1477 1588 CONECT 1477 1476 1478 1571 1587 CONECT 1478 1477 1479 1480 CONECT 1479 1478 CONECT 1480 1478 1481 1570 CONECT 1481 1480 1482 1568 1569 CONECT 1482 1481 1483 1484 CONECT 1483 1482 CONECT 1484 1482 1485 1567 CONECT 1485 1484 1486 1557 1566 CONECT 1486 1485 1487 1488 CONECT 1487 1486 CONECT 1488 1486 1489 1556 CONECT 1489 1488 1490 1546 1555 CONECT 1490 1489 1491 1492 CONECT 1491 1490 CONECT 1492 1490 1493 1545 CONECT 1493 1492 1494 1531 1544 CONECT 1494 1493 1495 1496 CONECT 1495 1494 CONECT 1496 1494 1497 1530 CONECT 1497 1496 1498 1515 1529 CONECT 1498 1497 1499 1500 CONECT 1499 1498 CONECT 1500 1498 1501 1514 CONECT 1501 1500 1502 1505 1513 CONECT 1502 1501 1503 1504 CONECT 1503 1502 CONECT 1504 1502 CONECT 1505 1501 1506 1508 1512 CONECT 1506 1505 1507 CONECT 1507 1506 CONECT 1508 1505 1509 1510 1511 CONECT 1509 1508 CONECT 1510 1508 CONECT 1511 1508 CONECT 1512 1505 CONECT 1513 1501 CONECT 1514 1500 CONECT 1515 1497 1516 1527 1528 CONECT 1516 1515 1517 1521 CONECT 1517 1516 1518 1526 CONECT 1518 1517 1519 1525 CONECT 1519 1518 1520 1524 CONECT 1520 1519 1521 1523 CONECT 1521 1516 1520 1522 CONECT 1522 1521 CONECT 1523 1520 CONECT 1524 1519 CONECT 1525 1518 CONECT 1526 1517 CONECT 1527 1515 CONECT 1528 1515 CONECT 1529 1497 CONECT 1530 1496 CONECT 1531 1493 1532 1542 1543 CONECT 1532 1531 1533 1537 1541 CONECT 1533 1532 1534 1535 1536 CONECT 1534 1533 CONECT 1535 1533 CONECT 1536 1533 CONECT 1537 1532 1538 1539 1540 CONECT 1538 1537 CONECT 1539 1537 CONECT 1540 1537 CONECT 1541 1532 CONECT 1542 1531 CONECT 1543 1531 CONECT 1544 1493 CONECT 1545 1492 CONECT 1546 1489 1547 1553 1554 CONECT 1547 1546 1548 1551 1552 CONECT 1548 1547 1549 1550 CONECT 1549 1548 CONECT 1550 1548 CONECT 1551 1547 CONECT 1552 1547 CONECT 1553 1546 CONECT 1554 1546 CONECT 1555 1489 CONECT 1556 1488 CONECT 1557 1485 1558 1564 1565 CONECT 1558 1557 1559 1562 1563 CONECT 1559 1558 1560 1561 CONECT 1560 1559 CONECT 1561 1559 CONECT 1562 1558 CONECT 1563 1558 CONECT 1564 1557 CONECT 1565 1557 CONECT 1566 1485 CONECT 1567 1484 CONECT 1568 1481 CONECT 1569 1481 CONECT 1570 1480 CONECT 1571 1477 1572 1585 1586 CONECT 1572 1571 1573 1583 1584 CONECT 1573 1572 1574 1581 1582 CONECT 1574 1573 1575 1579 1580 CONECT 1575 1574 1576 1577 1578 CONECT 1576 1575 CONECT 1577 1575 CONECT 1578 1575 CONECT 1579 1574 CONECT 1580 1574 CONECT 1581 1573 CONECT 1582 1573 CONECT 1583 1572 CONECT 1584 1572 CONECT 1585 1571 CONECT 1586 1571 CONECT 1587 1477 CONECT 1588 1476 CONECT 1589 1473 1590 1592 1593 CONECT 1590 1589 1591 CONECT 1591 1590 CONECT 1592 1589 CONECT 1593 1589 CONECT 1594 1473 CONECT 1595 1472 CONECT 1596 1469 1597 1612 1613 CONECT 1597 1596 1598 1610 1611 CONECT 1598 1597 1599 1608 1609 CONECT 1599 1598 1600 1607 CONECT 1600 1599 1601 1604 CONECT 1601 1600 1602 1603 CONECT 1602 1601 CONECT 1603 1601 CONECT 1604 1600 1605 1606 CONECT 1605 1604 CONECT 1606 1604 CONECT 1607 1599 CONECT 1608 1598 CONECT 1609 1598 CONECT 1610 1597 CONECT 1611 1597 CONECT 1612 1596 CONECT 1613 1596 CONECT 1614 1469 CONECT 1615 1468 CONECT 1616 1465 1617 1628 1629 CONECT 1617 1616 1618 1622 CONECT 1618 1617 1619 1627 CONECT 1619 1618 1620 1626 CONECT 1620 1619 1621 1625 CONECT 1621 1620 1622 1624 CONECT 1622 1617 1621 1623 CONECT 1623 1622 CONECT 1624 1621 CONECT 1625 1620 CONECT 1626 1619 CONECT 1627 1618 CONECT 1628 1616 CONECT 1629 1616 CONECT 1630 1465 CONECT 1631 1464 CONECT 1632 1464 CONECT 1633 1464 MASTER 0 0 0 0 0 0 0 0 1632 1 174 7 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
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Related entries of code: 2wa8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1lzw
RCSB PDB
PDBbind
106aa, >1LZW_1|Chain... at 99%
1r6q
RCSB PDB
PDBbind
106aa, >1R6Q_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
2wa8
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ATP-Dependent Clp Protease Adapter Protein ClpS
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
2.15(Å)
Affinity (Kd/Ki/IC50)
Kd=3.8uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Embo Rep. Vol. 10: pp. 508-514
Ligand Properties
Formula
C
5
5
H
8
7
N
1
4
O
1
6
Molecular Weight
1200.360
Exact Mass
1199.640
No. of atoms
172
No. of bonds
173
Polar Surface Area
515.32
LOGP Value
-2.66 (
Computed with XLOGP3
)
-3.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 50
No. of Nitrogen and Oxygen Atoms: 30
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](O)C)C=O)Cc1ccccc1)CC(C)C)CCC(=O)O)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH3+])CCC[NH+]=C(N)N)CO
InChI String
InChI=1S/C55H84N14O16/c1-31(2)25-40(52(83)67-41(27-34-15-8-5-9-16-34)53(84)68-42(29-70)32(3)72)66-51(82)39(20-22-46(76)77)65-50(81)38(19-21-45(74)75)62-44(73)28-61-48(79)36(17-10-11-23-56)64-54(85)43(30-71)69-49(80)37(18-12-24-60-55(58)59)63-47(78)35(57)26-33-13-6-4-7-14-33/h4-9,13-16,29,31-32,35-43,71-72H,10-12,17-28,30,56-57H2,1-3H3,(H,61,79)(H,62,73)(H,63,78)(H,64,85)(H,65,81)(H,66,82)(H,67,83)(H,68,84)(H,69,80)(H,74,75)(H,76,77)(H4,58,59,60)/p+3/t32-,35+,36+,37+,38+,39+,40+,41+,42-,43+/m1/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):
P0A8Q6
Entrez Gene ID
NCBI Entrez Gene ID:
61754099
948443
ASD
Information of known allosteric effects of PDB entries
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