Browse entries in the PDBbind-CN Database
HEADER 4HBM_COMPLEX COMPND 4HBM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 106 MET SER VAL PRO THR ASP GLY ALA VAL THR THR SER GLN SEQRES 2 A 106 ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG PRO LYS SEQRES 3 A 106 PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY ALA GLN SEQRES 4 A 106 LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE TYR LEU SEQRES 5 A 106 GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP GLU LYS SEQRES 6 A 106 GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU LEU GLY SEQRES 7 A 106 ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS GLU HIS SEQRES 8 A 106 ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU VAL VAL SEQRES 9 A 106 VAL ASN HET UNN A 236 54 ATOM 1 N MET A 6 0.465 -1.011 5.699 1.00 53.33 N ATOM 2 CA MET A 6 0.702 0.378 6.198 1.00 52.96 C ATOM 3 C MET A 6 -0.462 1.297 5.800 1.00 52.10 C ATOM 4 O MET A 6 -0.897 1.307 4.611 1.00 53.03 O ATOM 5 CB MET A 6 2.029 0.899 5.637 1.00 54.15 C ATOM 6 CG MET A 6 2.305 2.361 5.927 1.00 55.30 C ATOM 7 SD MET A 6 4.007 2.763 5.507 1.00 55.87 S ATOM 8 CE MET A 6 4.578 3.523 6.993 1.00 55.00 C ATOM 9 HA MET A 6 0.759 0.367 7.286 1.00 0.00 H ATOM 10 HB2 MET A 6 2.837 0.308 6.069 1.00 0.00 H ATOM 11 HB3 MET A 6 2.019 0.762 4.556 1.00 0.00 H ATOM 12 HG2 MET A 6 2.139 2.556 6.986 1.00 0.00 H ATOM 13 HG3 MET A 6 1.631 2.980 5.335 1.00 0.00 H ATOM 14 HE1 MET A 6 3.970 4.402 7.207 1.00 0.00 H ATOM 15 HE2 MET A 6 4.496 2.814 7.817 1.00 0.00 H ATOM 16 HE3 MET A 6 5.619 3.821 6.870 1.00 0.00 H ATOM 17 HN3 MET A 6 0.384 -0.996 4.662 1.00 0.00 H ATOM 18 HN2 MET A 6 -0.415 -1.381 6.112 1.00 0.00 H ATOM 19 HN1 MET A 6 1.262 -1.619 5.977 1.00 0.00 H ATOM 20 N SER A 7 -0.981 2.063 6.763 1.00 49.93 N ATOM 21 CA SER A 7 -2.126 2.958 6.521 1.00 47.24 C ATOM 22 C SER A 7 -1.799 4.361 6.000 1.00 44.64 C ATOM 23 O SER A 7 -2.713 5.109 5.610 1.00 45.64 O ATOM 24 CB SER A 7 -2.971 3.086 7.802 1.00 47.63 C ATOM 25 OG SER A 7 -3.693 4.314 7.826 1.00 48.10 O ATOM 26 HA SER A 7 -2.672 2.474 5.711 1.00 0.00 H ATOM 27 HB2 SER A 7 -2.311 3.045 8.669 1.00 0.00 H ATOM 28 HB3 SER A 7 -3.678 2.257 7.846 1.00 0.00 H ATOM 29 HG SER A 7 -3.056 5.071 7.792 1.00 0.00 H ATOM 30 H SER A 7 -0.563 2.027 7.715 1.00 0.00 H ATOM 31 N VAL A 8 -0.516 4.726 5.997 1.00 40.18 N ATOM 32 CA VAL A 8 -0.070 6.044 5.508 1.00 35.45 C ATOM 33 C VAL A 8 0.939 5.780 4.389 1.00 31.64 C ATOM 34 O VAL A 8 1.564 4.724 4.386 1.00 30.33 O ATOM 35 CB VAL A 8 0.595 6.883 6.609 1.00 36.61 C ATOM 36 CG1 VAL A 8 -0.383 7.109 7.749 1.00 38.25 C ATOM 37 CG2 VAL A 8 1.846 6.178 7.129 1.00 36.07 C ATOM 38 HA VAL A 8 -0.933 6.612 5.162 1.00 0.00 H ATOM 39 HB VAL A 8 0.884 7.847 6.189 1.00 0.00 H ATOM 40 HG11 VAL A 8 -1.260 7.637 7.374 1.00 0.00 H ATOM 41 HG12 VAL A 8 -0.685 6.147 8.163 1.00 0.00 H ATOM 42 HG13 VAL A 8 0.097 7.705 8.525 1.00 0.00 H ATOM 43 HG21 VAL A 8 1.570 5.206 7.539 1.00 0.00 H ATOM 44 HG22 VAL A 8 2.552 6.041 6.310 1.00 0.00 H ATOM 45 HG23 VAL A 8 2.306 6.785 7.909 1.00 0.00 H ATOM 46 H VAL A 8 0.196 4.057 6.353 1.00 0.00 H ATOM 47 N PRO A 9 1.142 6.733 3.449 1.00 28.05 N ATOM 48 CA PRO A 9 2.093 6.481 2.353 1.00 25.93 C ATOM 49 C PRO A 9 3.569 6.259 2.715 1.00 23.63 C ATOM 50 O PRO A 9 4.252 5.467 2.074 1.00 20.54 O ATOM 51 CB PRO A 9 1.891 7.684 1.436 1.00 27.31 C ATOM 52 CG PRO A 9 1.457 8.779 2.375 1.00 29.41 C ATOM 53 CD PRO A 9 0.498 8.050 3.282 1.00 29.07 C ATOM 54 HA PRO A 9 1.876 5.513 1.903 1.00 0.00 H ATOM 55 HD3 PRO A 9 0.396 8.562 4.239 1.00 0.00 H ATOM 56 HD2 PRO A 9 -0.483 7.951 2.818 1.00 0.00 H ATOM 57 HG3 PRO A 9 0.959 9.587 1.839 1.00 0.00 H ATOM 58 HG2 PRO A 9 2.303 9.181 2.933 1.00 0.00 H ATOM 59 HB2 PRO A 9 2.820 7.949 0.932 1.00 0.00 H ATOM 60 HB3 PRO A 9 1.121 7.481 0.692 1.00 0.00 H ATOM 61 N THR A 10 4.046 6.960 3.744 1.00 22.50 N ATOM 62 CA THR A 10 5.425 6.847 4.202 1.00 20.94 C ATOM 63 C THR A 10 5.480 7.171 5.688 1.00 21.30 C ATOM 64 O THR A 10 4.616 7.844 6.208 1.00 20.22 O ATOM 65 CB THR A 10 6.362 7.840 3.494 1.00 21.37 C ATOM 66 OG1 THR A 10 5.945 9.180 3.777 1.00 23.10 O ATOM 67 CG2 THR A 10 6.369 7.630 1.986 1.00 22.74 C ATOM 68 HA THR A 10 5.752 5.830 3.983 1.00 0.00 H ATOM 69 HB THR A 10 7.371 7.668 3.868 1.00 0.00 H ATOM 70 HG1 THR A 10 5.978 9.335 4.754 1.00 0.00 H ATOM 71 HG23 THR A 10 6.686 6.611 1.764 1.00 0.00 H ATOM 72 HG21 THR A 10 5.366 7.794 1.593 1.00 0.00 H ATOM 73 HG22 THR A 10 7.061 8.335 1.525 1.00 0.00 H ATOM 74 H THR A 10 3.408 7.614 4.240 1.00 0.00 H ATOM 75 N ASP A 11 6.516 6.680 6.353 1.00 20.86 N ATOM 76 CA ASP A 11 6.685 6.927 7.773 1.00 19.66 C ATOM 77 C ASP A 11 8.179 6.924 8.069 1.00 18.57 C ATOM 78 O ASP A 11 8.974 6.438 7.278 1.00 17.36 O ATOM 79 CB ASP A 11 5.971 5.832 8.568 1.00 22.87 C ATOM 80 CG ASP A 11 5.894 6.131 10.052 1.00 26.39 C ATOM 81 OD1 ASP A 11 5.933 7.319 10.424 1.00 27.88 O ATOM 82 OD2 ASP A 11 5.773 5.172 10.835 1.00 30.33 O ATOM 83 HA ASP A 11 6.255 7.887 8.059 1.00 0.00 H ATOM 84 HB2 ASP A 11 4.957 5.727 8.182 1.00 0.00 H ATOM 85 HB3 ASP A 11 6.510 4.895 8.430 1.00 0.00 H ATOM 86 H ASP A 11 7.221 6.107 5.848 1.00 0.00 H ATOM 87 N GLY A 12 8.550 7.464 9.222 1.00 16.97 N ATOM 88 CA GLY A 12 9.951 7.507 9.587 1.00 15.70 C ATOM 89 C GLY A 12 10.070 7.470 11.086 1.00 14.71 C ATOM 90 O GLY A 12 9.143 7.863 11.791 1.00 15.76 O ATOM 91 HA3 GLY A 12 10.399 8.425 9.207 1.00 0.00 H ATOM 92 HA2 GLY A 12 10.467 6.648 9.158 1.00 0.00 H ATOM 93 H GLY A 12 7.834 7.857 9.865 1.00 0.00 H ATOM 94 N ALA A 13 11.218 7.011 11.562 1.00 15.54 N ATOM 95 CA ALA A 13 11.447 6.909 12.991 1.00 15.31 C ATOM 96 C ALA A 13 12.926 6.831 13.298 1.00 15.80 C ATOM 97 O ALA A 13 13.676 6.177 12.591 1.00 15.72 O ATOM 98 CB ALA A 13 10.754 5.677 13.535 1.00 17.84 C ATOM 99 HA ALA A 13 11.040 7.802 13.466 1.00 0.00 H ATOM 100 HB1 ALA A 13 9.683 5.750 13.345 1.00 0.00 H ATOM 101 HB2 ALA A 13 11.152 4.790 13.041 1.00 0.00 H ATOM 102 HB3 ALA A 13 10.930 5.607 14.608 1.00 0.00 H ATOM 103 H ALA A 13 11.966 6.719 10.901 1.00 0.00 H ATOM 104 N VAL A 14 13.340 7.527 14.351 1.00 16.75 N ATOM 105 CA VAL A 14 14.731 7.485 14.780 1.00 17.11 C ATOM 106 C VAL A 14 14.719 7.087 16.251 1.00 17.57 C ATOM 107 O VAL A 14 13.853 7.527 17.003 1.00 16.53 O ATOM 108 CB VAL A 14 15.450 8.847 14.634 1.00 17.89 C ATOM 109 CG1 VAL A 14 15.668 9.167 13.173 1.00 18.42 C ATOM 110 CG2 VAL A 14 14.646 9.942 15.315 1.00 18.67 C ATOM 111 HA VAL A 14 15.274 6.779 14.152 1.00 0.00 H ATOM 112 HB VAL A 14 16.424 8.788 15.120 1.00 0.00 H ATOM 113 HG11 VAL A 14 16.281 8.388 12.719 1.00 0.00 H ATOM 114 HG12 VAL A 14 14.705 9.215 12.665 1.00 0.00 H ATOM 115 HG13 VAL A 14 16.175 10.128 13.085 1.00 0.00 H ATOM 116 HG21 VAL A 14 13.660 10.007 14.854 1.00 0.00 H ATOM 117 HG22 VAL A 14 14.538 9.707 16.374 1.00 0.00 H ATOM 118 HG23 VAL A 14 15.164 10.894 15.204 1.00 0.00 H ATOM 119 H VAL A 14 12.660 8.111 14.878 1.00 0.00 H ATOM 120 N THR A 15 15.658 6.236 16.648 1.00 16.75 N ATOM 121 CA THR A 15 15.734 5.811 18.041 1.00 18.98 C ATOM 122 C THR A 15 17.149 6.008 18.560 1.00 17.34 C ATOM 123 O THR A 15 18.098 6.111 17.781 1.00 16.26 O ATOM 124 CB THR A 15 15.282 4.341 18.227 1.00 20.20 C ATOM 125 OG1 THR A 15 16.136 3.477 17.475 1.00 22.26 O ATOM 126 CG2 THR A 15 13.834 4.178 17.747 1.00 22.32 C ATOM 127 HA THR A 15 15.047 6.429 18.619 1.00 0.00 H ATOM 128 HB THR A 15 15.342 4.079 19.283 1.00 0.00 H ATOM 129 HG1 THR A 15 16.086 3.718 16.516 1.00 0.00 H ATOM 130 HG23 THR A 15 13.185 4.838 18.323 1.00 0.00 H ATOM 131 HG21 THR A 15 13.772 4.436 16.690 1.00 0.00 H ATOM 132 HG22 THR A 15 13.520 3.144 17.889 1.00 0.00 H ATOM 133 H THR A 15 16.345 5.869 15.959 1.00 0.00 H ATOM 134 N THR A 16 17.278 6.055 19.884 1.00 18.54 N ATOM 135 CA THR A 16 18.560 6.269 20.533 1.00 19.33 C ATOM 136 C THR A 16 18.724 5.354 21.738 1.00 20.44 C ATOM 137 O THR A 16 17.765 5.020 22.404 1.00 20.23 O ATOM 138 CB THR A 16 18.671 7.716 21.024 1.00 20.07 C ATOM 139 OG1 THR A 16 19.812 7.843 21.874 1.00 19.57 O ATOM 140 CG2 THR A 16 17.438 8.102 21.790 1.00 19.06 C ATOM 141 HA THR A 16 19.335 6.053 19.798 1.00 0.00 H ATOM 142 HB THR A 16 18.775 8.374 20.161 1.00 0.00 H ATOM 143 HG1 THR A 16 19.883 8.778 22.191 1.00 0.00 H ATOM 144 HG23 THR A 16 16.565 8.006 21.144 1.00 0.00 H ATOM 145 HG21 THR A 16 17.327 7.445 22.652 1.00 0.00 H ATOM 146 HG22 THR A 16 17.530 9.134 22.128 1.00 0.00 H ATOM 147 H THR A 16 16.431 5.934 20.475 1.00 0.00 H ATOM 148 N SER A 17 19.961 4.974 22.013 1.00 21.50 N ATOM 149 CA SER A 17 20.230 4.124 23.160 1.00 24.04 C ATOM 150 C SER A 17 20.161 4.915 24.467 1.00 24.50 C ATOM 151 O SER A 17 20.246 4.346 25.558 1.00 24.31 O ATOM 152 CB SER A 17 21.613 3.479 23.037 1.00 25.27 C ATOM 153 OG SER A 17 22.620 4.462 22.903 1.00 29.56 O ATOM 154 HA SER A 17 19.464 3.349 23.177 1.00 0.00 H ATOM 155 HB2 SER A 17 21.628 2.831 22.161 1.00 0.00 H ATOM 156 HB3 SER A 17 21.810 2.885 23.930 1.00 0.00 H ATOM 157 HG SER A 17 22.613 5.051 23.699 1.00 0.00 H ATOM 158 H SER A 17 20.745 5.285 21.405 1.00 0.00 H ATOM 159 N GLN A 18 20.013 6.229 24.350 1.00 23.10 N ATOM 160 CA GLN A 18 19.951 7.113 25.513 1.00 22.60 C ATOM 161 C GLN A 18 18.572 7.169 26.184 1.00 22.38 C ATOM 162 O GLN A 18 18.457 7.595 27.316 1.00 22.81 O ATOM 163 CB GLN A 18 20.365 8.537 25.120 1.00 21.95 C ATOM 164 CG GLN A 18 21.829 8.678 24.723 1.00 21.29 C ATOM 165 CD GLN A 18 22.210 10.105 24.361 1.00 21.69 C ATOM 166 OE1 GLN A 18 21.835 11.054 25.052 1.00 23.35 O ATOM 167 NE2 GLN A 18 22.968 10.261 23.280 1.00 22.66 N ATOM 168 HA GLN A 18 20.644 6.687 26.239 1.00 0.00 H ATOM 169 HB2 GLN A 18 19.751 8.851 24.276 1.00 0.00 H ATOM 170 HB3 GLN A 18 20.177 9.194 25.969 1.00 0.00 H ATOM 171 HG2 GLN A 18 22.449 8.354 25.559 1.00 0.00 H ATOM 172 HG3 GLN A 18 22.019 8.038 23.861 1.00 0.00 H ATOM 173 HE22 GLN A 18 23.261 9.431 22.726 1.00 0.00 H ATOM 174 HE21 GLN A 18 23.268 11.213 22.988 1.00 0.00 H ATOM 175 H GLN A 18 19.939 6.644 23.399 1.00 0.00 H ATOM 176 N ILE A 19 17.531 6.746 25.477 1.00 21.86 N ATOM 177 CA ILE A 19 16.182 6.767 26.020 1.00 21.87 C ATOM 178 C ILE A 19 15.650 5.342 26.010 1.00 23.12 C ATOM 179 O ILE A 19 15.965 4.577 25.114 1.00 21.33 O ATOM 180 CB ILE A 19 15.249 7.647 25.148 1.00 21.20 C ATOM 181 CG1 ILE A 19 15.864 9.039 24.952 1.00 21.24 C ATOM 182 CG2 ILE A 19 13.878 7.761 25.786 1.00 20.07 C ATOM 183 CD1 ILE A 19 15.976 9.860 26.231 1.00 19.43 C ATOM 184 HA ILE A 19 16.207 7.178 27.029 1.00 0.00 H ATOM 185 HB ILE A 19 15.137 7.174 24.173 1.00 0.00 H ATOM 186 HG12 ILE A 19 16.864 8.915 24.536 1.00 0.00 H ATOM 187 HG13 ILE A 19 15.244 9.590 24.245 1.00 0.00 H ATOM 188 HD11 ILE A 19 14.983 10.006 26.656 1.00 0.00 H ATOM 189 HD12 ILE A 19 16.604 9.331 26.947 1.00 0.00 H ATOM 190 HD13 ILE A 19 16.421 10.828 26.002 1.00 0.00 H ATOM 191 HG21 ILE A 19 13.440 6.768 25.883 1.00 0.00 H ATOM 192 HG22 ILE A 19 13.974 8.215 26.772 1.00 0.00 H ATOM 193 HG23 ILE A 19 13.238 8.382 25.160 1.00 0.00 H ATOM 194 H ILE A 19 17.684 6.391 24.511 1.00 0.00 H ATOM 195 N PRO A 20 14.854 4.963 27.031 1.00 23.81 N ATOM 196 CA PRO A 20 14.339 3.590 27.013 1.00 24.56 C ATOM 197 C PRO A 20 13.309 3.356 25.913 1.00 24.29 C ATOM 198 O PRO A 20 12.451 4.214 25.626 1.00 23.28 O ATOM 199 CB PRO A 20 13.776 3.397 28.423 1.00 25.05 C ATOM 200 CG PRO A 20 13.459 4.773 28.873 1.00 27.76 C ATOM 201 CD PRO A 20 14.575 5.610 28.324 1.00 25.07 C ATOM 202 HA PRO A 20 15.111 2.858 26.776 1.00 0.00 H ATOM 203 HD3 PRO A 20 14.261 6.645 28.187 1.00 0.00 H ATOM 204 HD2 PRO A 20 15.448 5.580 28.976 1.00 0.00 H ATOM 205 HG3 PRO A 20 13.435 4.827 29.961 1.00 0.00 H ATOM 206 HG2 PRO A 20 12.499 5.099 28.473 1.00 0.00 H ATOM 207 HB2 PRO A 20 12.878 2.780 28.401 1.00 0.00 H ATOM 208 HB3 PRO A 20 14.516 2.936 29.077 1.00 0.00 H ATOM 209 N ALA A 21 13.429 2.198 25.273 1.00 24.98 N ATOM 210 CA ALA A 21 12.554 1.818 24.176 1.00 25.25 C ATOM 211 C ALA A 21 11.106 2.161 24.449 1.00 25.30 C ATOM 212 O ALA A 21 10.478 2.869 23.680 1.00 25.56 O ATOM 213 CB ALA A 21 12.687 0.338 23.906 1.00 26.46 C ATOM 214 HA ALA A 21 12.864 2.388 23.300 1.00 0.00 H ATOM 215 HB1 ALA A 21 13.719 0.110 23.641 1.00 0.00 H ATOM 216 HB2 ALA A 21 12.409 -0.220 24.800 1.00 0.00 H ATOM 217 HB3 ALA A 21 12.029 0.060 23.083 1.00 0.00 H ATOM 218 H ALA A 21 14.177 1.538 25.568 1.00 0.00 H ATOM 219 N SER A 22 10.584 1.651 25.557 1.00 25.76 N ATOM 220 CA SER A 22 9.200 1.891 25.931 1.00 25.04 C ATOM 221 C SER A 22 8.784 3.359 25.904 1.00 24.76 C ATOM 222 O SER A 22 7.645 3.670 25.610 1.00 24.40 O ATOM 223 CB SER A 22 8.924 1.301 27.319 1.00 27.19 C ATOM 224 OG SER A 22 9.882 1.753 28.262 1.00 28.43 O ATOM 225 HA SER A 22 8.597 1.394 25.171 1.00 0.00 H ATOM 226 HB2 SER A 22 8.967 0.213 27.260 1.00 0.00 H ATOM 227 HB3 SER A 22 7.930 1.607 27.646 1.00 0.00 H ATOM 228 HG SER A 22 10.786 1.474 27.972 1.00 0.00 H ATOM 229 H SER A 22 11.181 1.064 26.174 1.00 0.00 H ATOM 230 N GLU A 23 9.705 4.268 26.206 1.00 24.19 N ATOM 231 CA GLU A 23 9.363 5.687 26.198 1.00 22.07 C ATOM 232 C GLU A 23 9.231 6.226 24.777 1.00 21.65 C ATOM 233 O GLU A 23 8.367 7.032 24.495 1.00 21.43 O ATOM 234 CB GLU A 23 10.418 6.509 26.948 1.00 22.41 C ATOM 235 CG GLU A 23 9.957 7.924 27.257 1.00 21.34 C ATOM 236 CD GLU A 23 10.952 8.699 28.101 1.00 20.73 C ATOM 237 OE1 GLU A 23 11.858 8.067 28.687 1.00 20.98 O ATOM 238 OE2 GLU A 23 10.819 9.936 28.181 1.00 18.40 O ATOM 239 HA GLU A 23 8.401 5.782 26.701 1.00 0.00 H ATOM 240 HB2 GLU A 23 10.649 6.005 27.887 1.00 0.00 H ATOM 241 HB3 GLU A 23 11.318 6.562 26.335 1.00 0.00 H ATOM 242 HG2 GLU A 23 9.810 8.455 26.317 1.00 0.00 H ATOM 243 HG3 GLU A 23 9.010 7.872 27.795 1.00 0.00 H ATOM 244 H GLU A 23 10.671 3.968 26.448 1.00 0.00 H ATOM 245 N GLN A 24 10.103 5.756 23.893 1.00 21.46 N ATOM 246 CA GLN A 24 10.118 6.191 22.501 1.00 22.58 C ATOM 247 C GLN A 24 8.878 5.746 21.717 1.00 24.27 C ATOM 248 O GLN A 24 8.571 6.291 20.658 1.00 24.11 O ATOM 249 CB GLN A 24 11.402 5.686 21.836 1.00 21.98 C ATOM 250 CG GLN A 24 12.650 6.101 22.620 1.00 22.71 C ATOM 251 CD GLN A 24 13.952 5.636 21.987 1.00 23.62 C ATOM 252 OE1 GLN A 24 14.297 6.043 20.888 1.00 23.74 O ATOM 253 NE2 GLN A 24 14.685 4.784 22.697 1.00 23.31 N ATOM 254 HA GLN A 24 10.095 7.281 22.490 1.00 0.00 H ATOM 255 HB2 GLN A 24 11.366 4.598 21.780 1.00 0.00 H ATOM 256 HB3 GLN A 24 11.464 6.099 20.829 1.00 0.00 H ATOM 257 HG2 GLN A 24 12.669 7.189 22.687 1.00 0.00 H ATOM 258 HG3 GLN A 24 12.584 5.678 23.622 1.00 0.00 H ATOM 259 HE22 GLN A 24 14.353 4.463 23.629 1.00 0.00 H ATOM 260 HE21 GLN A 24 15.591 4.438 22.321 1.00 0.00 H ATOM 261 H GLN A 24 10.801 5.051 24.205 1.00 0.00 H ATOM 262 N GLU A 25 8.163 4.761 22.250 1.00 25.20 N ATOM 263 CA GLU A 25 6.956 4.265 21.599 1.00 26.01 C ATOM 264 C GLU A 25 5.724 5.017 22.091 1.00 26.55 C ATOM 265 O GLU A 25 4.637 4.839 21.558 1.00 26.47 O ATOM 266 CB GLU A 25 6.774 2.771 21.881 1.00 28.02 C ATOM 267 CG GLU A 25 7.875 1.874 21.321 1.00 31.21 C ATOM 268 CD GLU A 25 7.852 1.791 19.808 1.00 33.78 C ATOM 269 OE1 GLU A 25 6.834 2.204 19.206 1.00 34.98 O ATOM 270 OE2 GLU A 25 8.848 1.299 19.227 1.00 36.19 O ATOM 271 HA GLU A 25 7.067 4.425 20.527 1.00 0.00 H ATOM 272 HB2 GLU A 25 6.740 2.631 22.961 1.00 0.00 H ATOM 273 HB3 GLU A 25 5.826 2.457 21.445 1.00 0.00 H ATOM 274 HG2 GLU A 25 8.841 2.271 21.634 1.00 0.00 H ATOM 275 HG3 GLU A 25 7.747 0.871 21.727 1.00 0.00 H ATOM 276 H GLU A 25 8.470 4.336 23.148 1.00 0.00 H ATOM 277 N THR A 26 5.894 5.852 23.115 1.00 24.43 N ATOM 278 CA THR A 26 4.767 6.603 23.655 1.00 24.33 C ATOM 279 C THR A 26 4.010 7.301 22.538 1.00 24.80 C ATOM 280 O THR A 26 4.606 7.854 21.638 1.00 24.32 O ATOM 281 CB THR A 26 5.221 7.667 24.681 1.00 23.54 C ATOM 282 OG1 THR A 26 6.021 7.045 25.692 1.00 23.86 O ATOM 283 CG2 THR A 26 4.011 8.313 25.338 1.00 22.48 C ATOM 284 HA THR A 26 4.121 5.884 24.158 1.00 0.00 H ATOM 285 HB THR A 26 5.801 8.430 24.162 1.00 0.00 H ATOM 286 HG1 THR A 26 6.816 6.630 25.273 1.00 0.00 H ATOM 287 HG23 THR A 26 3.396 8.789 24.575 1.00 0.00 H ATOM 288 HG21 THR A 26 3.428 7.549 25.852 1.00 0.00 H ATOM 289 HG22 THR A 26 4.346 9.062 26.056 1.00 0.00 H ATOM 290 H THR A 26 6.839 5.969 23.533 1.00 0.00 H ATOM 291 N LEU A 27 2.686 7.279 22.627 1.00 24.86 N ATOM 292 CA LEU A 27 1.827 7.887 21.623 1.00 25.10 C ATOM 293 C LEU A 27 1.484 9.298 22.092 1.00 24.91 C ATOM 294 O LEU A 27 1.040 9.490 23.220 1.00 25.20 O ATOM 295 CB LEU A 27 0.568 7.024 21.467 1.00 27.62 C ATOM 296 CG LEU A 27 -0.113 6.749 20.118 1.00 30.67 C ATOM 297 CD1 LEU A 27 0.875 6.832 18.955 1.00 31.05 C ATOM 298 CD2 LEU A 27 -0.758 5.348 20.192 1.00 32.35 C ATOM 299 HA LEU A 27 2.320 7.947 20.653 1.00 0.00 H ATOM 300 HB2 LEU A 27 0.825 6.047 21.875 1.00 0.00 H ATOM 301 HB3 LEU A 27 -0.192 7.490 22.094 1.00 0.00 H ATOM 302 HG LEU A 27 -0.871 7.509 19.932 1.00 0.00 H ATOM 303 HD21 LEU A 27 0.014 4.604 20.385 1.00 0.00 H ATOM 304 HD22 LEU A 27 -1.492 5.329 20.998 1.00 0.00 H ATOM 305 HD23 LEU A 27 -1.250 5.126 19.245 1.00 0.00 H ATOM 306 HD11 LEU A 27 1.311 7.830 18.921 1.00 0.00 H ATOM 307 HD12 LEU A 27 1.664 6.094 19.097 1.00 0.00 H ATOM 308 HD13 LEU A 27 0.352 6.631 18.020 1.00 0.00 H ATOM 309 H LEU A 27 2.247 6.810 23.445 1.00 0.00 H ATOM 310 N VAL A 28 1.680 10.282 21.218 1.00 23.12 N ATOM 311 CA VAL A 28 1.435 11.673 21.575 1.00 22.39 C ATOM 312 C VAL A 28 0.658 12.474 20.534 1.00 23.25 C ATOM 313 O VAL A 28 0.589 12.107 19.376 1.00 22.97 O ATOM 314 CB VAL A 28 2.775 12.405 21.843 1.00 21.59 C ATOM 315 CG1 VAL A 28 3.530 11.709 22.950 1.00 19.61 C ATOM 316 CG2 VAL A 28 3.626 12.431 20.575 1.00 20.69 C ATOM 317 HA VAL A 28 0.814 11.623 22.470 1.00 0.00 H ATOM 318 HB VAL A 28 2.559 13.430 22.145 1.00 0.00 H ATOM 319 HG11 VAL A 28 2.928 11.716 23.859 1.00 0.00 H ATOM 320 HG12 VAL A 28 3.735 10.679 22.657 1.00 0.00 H ATOM 321 HG13 VAL A 28 4.470 12.231 23.131 1.00 0.00 H ATOM 322 HG21 VAL A 28 3.835 11.409 20.258 1.00 0.00 H ATOM 323 HG22 VAL A 28 3.085 12.954 19.787 1.00 0.00 H ATOM 324 HG23 VAL A 28 4.564 12.948 20.779 1.00 0.00 H ATOM 325 H VAL A 28 2.015 10.053 20.260 1.00 0.00 H ATOM 326 N ARG A 29 0.084 13.586 20.976 1.00 24.09 N ATOM 327 CA ARG A 29 -0.687 14.467 20.110 1.00 25.62 C ATOM 328 C ARG A 29 -0.071 15.867 20.164 1.00 24.97 C ATOM 329 O ARG A 29 -0.299 16.619 21.097 1.00 25.01 O ATOM 330 CB ARG A 29 -2.139 14.476 20.588 1.00 28.51 C ATOM 331 CG ARG A 29 -3.085 15.351 19.800 1.00 32.16 C ATOM 332 CD ARG A 29 -4.504 15.161 20.323 1.00 36.50 C ATOM 333 NE ARG A 29 -5.071 13.892 19.873 1.00 39.52 N ATOM 334 CZ ARG A 29 -5.583 13.695 18.661 1.00 41.36 C ATOM 335 NH1 ARG A 29 -5.606 14.684 17.772 1.00 41.74 N ATOM 336 NH2 ARG A 29 -6.075 12.506 18.339 1.00 42.56 N ATOM 337 HA ARG A 29 -0.667 14.121 19.077 1.00 0.00 H ATOM 338 HB2 ARG A 29 -2.513 13.453 20.542 1.00 0.00 H ATOM 339 HB3 ARG A 29 -2.149 14.819 21.622 1.00 0.00 H ATOM 340 HG2 ARG A 29 -2.793 16.395 19.911 1.00 0.00 H ATOM 341 HG3 ARG A 29 -3.045 15.074 18.747 1.00 0.00 H ATOM 342 HD2 ARG A 29 -5.128 15.978 19.960 1.00 0.00 H ATOM 343 HD3 ARG A 29 -4.486 15.175 21.413 1.00 0.00 H ATOM 344 HE ARG A 29 -5.075 13.094 20.540 1.00 0.00 H ATOM 345 HH12 ARG A 29 -6.008 14.524 16.826 1.00 0.00 H ATOM 346 HH11 ARG A 29 -5.222 15.618 18.023 1.00 0.00 H ATOM 347 HH22 ARG A 29 -6.476 12.348 17.393 1.00 0.00 H ATOM 348 HH21 ARG A 29 -6.060 11.732 19.033 1.00 0.00 H ATOM 349 H ARG A 29 0.189 13.838 21.980 1.00 0.00 H ATOM 350 N PRO A 30 0.745 16.218 19.157 1.00 24.47 N ATOM 351 CA PRO A 30 1.414 17.524 19.076 1.00 24.30 C ATOM 352 C PRO A 30 0.515 18.761 19.166 1.00 24.70 C ATOM 353 O PRO A 30 -0.554 18.798 18.578 1.00 25.67 O ATOM 354 CB PRO A 30 2.144 17.447 17.736 1.00 23.38 C ATOM 355 CG PRO A 30 2.486 15.980 17.640 1.00 23.61 C ATOM 356 CD PRO A 30 1.200 15.327 18.074 1.00 23.44 C ATOM 357 HA PRO A 30 2.056 17.674 19.944 1.00 0.00 H ATOM 358 HD3 PRO A 30 0.478 15.296 17.258 1.00 0.00 H ATOM 359 HD2 PRO A 30 1.375 14.316 18.441 1.00 0.00 H ATOM 360 HG3 PRO A 30 3.307 15.720 18.308 1.00 0.00 H ATOM 361 HG2 PRO A 30 2.747 15.700 16.619 1.00 0.00 H ATOM 362 HB2 PRO A 30 1.497 17.756 16.915 1.00 0.00 H ATOM 363 HB3 PRO A 30 3.043 18.063 17.740 1.00 0.00 H ATOM 364 N LYS A 31 0.966 19.771 19.905 1.00 24.15 N ATOM 365 CA LYS A 31 0.216 21.015 20.031 1.00 24.82 C ATOM 366 C LYS A 31 0.362 21.783 18.708 1.00 23.99 C ATOM 367 O LYS A 31 1.102 21.357 17.836 1.00 23.45 O ATOM 368 CB LYS A 31 0.737 21.815 21.221 1.00 25.43 C ATOM 369 CG LYS A 31 0.412 21.142 22.560 1.00 27.76 C ATOM 370 CD LYS A 31 0.932 21.944 23.737 1.00 29.20 C ATOM 371 CE LYS A 31 0.415 21.348 25.039 1.00 31.11 C ATOM 372 NZ LYS A 31 0.834 22.149 26.228 1.00 33.86 N ATOM 373 HA LYS A 31 -0.841 20.825 20.217 1.00 0.00 H ATOM 374 HB2 LYS A 31 1.819 21.914 21.131 1.00 0.00 H ATOM 375 HB3 LYS A 31 0.281 22.805 21.206 1.00 0.00 H ATOM 376 HG2 LYS A 31 -0.670 21.042 22.651 1.00 0.00 H ATOM 377 HG3 LYS A 31 0.869 20.153 22.578 1.00 0.00 H ATOM 378 HD2 LYS A 31 2.022 21.922 23.737 1.00 0.00 H ATOM 379 HD3 LYS A 31 0.591 22.976 23.651 1.00 0.00 H ATOM 380 HE2 LYS A 31 0.805 20.335 25.142 1.00 0.00 H ATOM 381 HE3 LYS A 31 -0.674 21.315 25.003 1.00 0.00 H ATOM 382 HZ1 LYS A 31 1.872 22.180 26.275 1.00 0.00 H ATOM 383 HZ2 LYS A 31 0.460 23.116 26.142 1.00 0.00 H ATOM 384 HZ3 LYS A 31 0.460 21.707 27.092 1.00 0.00 H ATOM 385 H LYS A 31 1.873 19.671 20.404 1.00 0.00 H ATOM 386 N PRO A 32 -0.342 22.918 18.540 1.00 24.27 N ATOM 387 CA PRO A 32 -0.230 23.658 17.268 1.00 23.13 C ATOM 388 C PRO A 32 1.139 23.933 16.634 1.00 22.89 C ATOM 389 O PRO A 32 1.360 23.573 15.499 1.00 23.06 O ATOM 390 CB PRO A 32 -1.001 24.949 17.545 1.00 24.06 C ATOM 391 CG PRO A 32 -2.068 24.486 18.490 1.00 24.53 C ATOM 392 CD PRO A 32 -1.291 23.586 19.450 1.00 24.43 C ATOM 393 HA PRO A 32 -0.619 23.008 16.484 1.00 0.00 H ATOM 394 HD3 PRO A 32 -0.769 24.171 20.208 1.00 0.00 H ATOM 395 HD2 PRO A 32 -1.948 22.865 19.937 1.00 0.00 H ATOM 396 HG3 PRO A 32 -2.843 23.927 17.966 1.00 0.00 H ATOM 397 HG2 PRO A 32 -2.520 25.326 19.016 1.00 0.00 H ATOM 398 HB2 PRO A 32 -0.361 25.700 18.009 1.00 0.00 H ATOM 399 HB3 PRO A 32 -1.432 25.356 16.630 1.00 0.00 H ATOM 400 N LEU A 33 2.053 24.583 17.348 1.00 21.58 N ATOM 401 CA LEU A 33 3.353 24.884 16.753 1.00 20.97 C ATOM 402 C LEU A 33 4.133 23.638 16.347 1.00 20.75 C ATOM 403 O LEU A 33 4.708 23.591 15.257 1.00 19.59 O ATOM 404 CB LEU A 33 4.195 25.760 17.689 1.00 22.09 C ATOM 405 CG LEU A 33 5.592 26.136 17.166 1.00 22.33 C ATOM 406 CD1 LEU A 33 5.477 26.814 15.792 1.00 25.01 C ATOM 407 CD2 LEU A 33 6.295 27.049 18.155 1.00 24.48 C ATOM 408 HA LEU A 33 3.145 25.435 15.836 1.00 0.00 H ATOM 409 HB2 LEU A 33 3.645 26.683 17.871 1.00 0.00 H ATOM 410 HB3 LEU A 33 4.321 25.223 18.629 1.00 0.00 H ATOM 411 HG LEU A 33 6.184 25.227 17.056 1.00 0.00 H ATOM 412 HD21 LEU A 33 5.708 27.957 18.290 1.00 0.00 H ATOM 413 HD22 LEU A 33 6.398 26.536 19.111 1.00 0.00 H ATOM 414 HD23 LEU A 33 7.282 27.307 17.771 1.00 0.00 H ATOM 415 HD11 LEU A 33 5.004 26.129 15.089 1.00 0.00 H ATOM 416 HD12 LEU A 33 4.874 27.717 15.883 1.00 0.00 H ATOM 417 HD13 LEU A 33 6.472 27.075 15.433 1.00 0.00 H ATOM 418 H LEU A 33 1.844 24.875 18.324 1.00 0.00 H ATOM 419 N LEU A 34 4.154 22.627 17.211 1.00 19.76 N ATOM 420 CA LEU A 34 4.863 21.398 16.884 1.00 19.42 C ATOM 421 C LEU A 34 4.224 20.687 15.695 1.00 19.66 C ATOM 422 O LEU A 34 4.920 20.209 14.828 1.00 18.83 O ATOM 423 CB LEU A 34 4.898 20.436 18.076 1.00 18.93 C ATOM 424 CG LEU A 34 5.449 19.037 17.760 1.00 20.11 C ATOM 425 CD1 LEU A 34 6.857 19.141 17.170 1.00 19.70 C ATOM 426 CD2 LEU A 34 5.448 18.184 19.023 1.00 21.97 C ATOM 427 HA LEU A 34 5.882 21.686 16.626 1.00 0.00 H ATOM 428 HB2 LEU A 34 5.523 20.879 18.852 1.00 0.00 H ATOM 429 HB3 LEU A 34 3.881 20.323 18.451 1.00 0.00 H ATOM 430 HG LEU A 34 4.808 18.559 17.019 1.00 0.00 H ATOM 431 HD21 LEU A 34 6.075 18.656 19.779 1.00 0.00 H ATOM 432 HD22 LEU A 34 4.429 18.094 19.398 1.00 0.00 H ATOM 433 HD23 LEU A 34 5.840 17.194 18.791 1.00 0.00 H ATOM 434 HD11 LEU A 34 6.822 19.726 16.251 1.00 0.00 H ATOM 435 HD12 LEU A 34 7.515 19.629 17.888 1.00 0.00 H ATOM 436 HD13 LEU A 34 7.233 18.141 16.952 1.00 0.00 H ATOM 437 H LEU A 34 3.662 22.715 18.123 1.00 0.00 H ATOM 438 N LEU A 35 2.897 20.615 15.663 1.00 19.32 N ATOM 439 CA LEU A 35 2.230 19.942 14.548 1.00 20.94 C ATOM 440 C LEU A 35 2.483 20.691 13.242 1.00 20.53 C ATOM 441 O LEU A 35 2.609 20.089 12.187 1.00 21.56 O ATOM 442 CB LEU A 35 0.722 19.831 14.794 1.00 21.25 C ATOM 443 CG LEU A 35 -0.037 18.993 13.764 1.00 22.15 C ATOM 444 CD1 LEU A 35 0.512 17.564 13.752 1.00 23.17 C ATOM 445 CD2 LEU A 35 -1.516 18.989 14.100 1.00 23.89 C ATOM 446 HA LEU A 35 2.645 18.937 14.471 1.00 0.00 H ATOM 447 HB2 LEU A 35 0.571 19.381 15.775 1.00 0.00 H ATOM 448 HB3 LEU A 35 0.302 20.837 14.788 1.00 0.00 H ATOM 449 HG LEU A 35 0.097 19.427 12.773 1.00 0.00 H ATOM 450 HD21 LEU A 35 -1.661 18.562 15.092 1.00 0.00 H ATOM 451 HD22 LEU A 35 -1.894 20.011 14.085 1.00 0.00 H ATOM 452 HD23 LEU A 35 -2.053 18.391 13.364 1.00 0.00 H ATOM 453 HD11 LEU A 35 1.570 17.585 13.491 1.00 0.00 H ATOM 454 HD12 LEU A 35 0.389 17.120 14.740 1.00 0.00 H ATOM 455 HD13 LEU A 35 -0.033 16.973 13.016 1.00 0.00 H ATOM 456 H LEU A 35 2.334 21.036 16.429 1.00 0.00 H ATOM 457 N LYS A 36 2.556 22.013 13.325 1.00 21.28 N ATOM 458 CA LYS A 36 2.806 22.829 12.144 1.00 22.39 C ATOM 459 C LYS A 36 4.178 22.515 11.565 1.00 22.18 C ATOM 460 O LYS A 36 4.343 22.403 10.349 1.00 21.53 O ATOM 461 CB LYS A 36 2.728 24.315 12.496 1.00 24.18 C ATOM 462 CG LYS A 36 3.027 25.258 11.338 1.00 26.21 C ATOM 463 CD LYS A 36 2.782 26.702 11.741 1.00 28.67 C ATOM 464 CE LYS A 36 2.878 27.633 10.544 1.00 32.73 C ATOM 465 NZ LYS A 36 1.944 27.208 9.455 1.00 34.66 N ATOM 466 HA LYS A 36 2.042 22.598 11.401 1.00 0.00 H ATOM 467 HB2 LYS A 36 1.721 24.527 12.856 1.00 0.00 H ATOM 468 HB3 LYS A 36 3.446 24.514 13.291 1.00 0.00 H ATOM 469 HG2 LYS A 36 4.069 25.141 11.042 1.00 0.00 H ATOM 470 HG3 LYS A 36 2.381 25.007 10.497 1.00 0.00 H ATOM 471 HD2 LYS A 36 1.787 26.785 12.177 1.00 0.00 H ATOM 472 HD3 LYS A 36 3.527 26.996 12.480 1.00 0.00 H ATOM 473 HE2 LYS A 36 3.899 27.619 10.163 1.00 0.00 H ATOM 474 HE3 LYS A 36 2.622 28.645 10.858 1.00 0.00 H ATOM 475 HZ1 LYS A 36 2.187 26.244 9.148 1.00 0.00 H ATOM 476 HZ2 LYS A 36 0.967 27.224 9.812 1.00 0.00 H ATOM 477 HZ3 LYS A 36 2.031 27.862 8.651 1.00 0.00 H ATOM 478 H LYS A 36 2.433 22.475 14.249 1.00 0.00 H ATOM 479 N LEU A 37 5.171 22.380 12.438 1.00 21.43 N ATOM 480 CA LEU A 37 6.516 22.078 11.969 1.00 21.21 C ATOM 481 C LEU A 37 6.594 20.678 11.367 1.00 20.79 C ATOM 482 O LEU A 37 7.184 20.486 10.329 1.00 20.60 O ATOM 483 CB LEU A 37 7.537 22.224 13.100 1.00 22.40 C ATOM 484 CG LEU A 37 7.639 23.624 13.730 1.00 23.86 C ATOM 485 CD1 LEU A 37 8.903 23.682 14.582 1.00 25.35 C ATOM 486 CD2 LEU A 37 7.698 24.714 12.648 1.00 22.77 C ATOM 487 HA LEU A 37 6.757 22.799 11.188 1.00 0.00 H ATOM 488 HB2 LEU A 37 7.267 21.521 13.888 1.00 0.00 H ATOM 489 HB3 LEU A 37 8.518 21.963 12.702 1.00 0.00 H ATOM 490 HG LEU A 37 6.755 23.804 14.342 1.00 0.00 H ATOM 491 HD21 LEU A 37 8.571 24.550 12.017 1.00 0.00 H ATOM 492 HD22 LEU A 37 6.795 24.670 12.040 1.00 0.00 H ATOM 493 HD23 LEU A 37 7.770 25.692 13.123 1.00 0.00 H ATOM 494 HD11 LEU A 37 8.847 22.925 15.364 1.00 0.00 H ATOM 495 HD12 LEU A 37 9.773 23.493 13.953 1.00 0.00 H ATOM 496 HD13 LEU A 37 8.989 24.669 15.036 1.00 0.00 H ATOM 497 H LEU A 37 4.987 22.490 13.456 1.00 0.00 H ATOM 498 N LEU A 38 5.970 19.709 12.026 1.00 20.83 N ATOM 499 CA LEU A 38 5.970 18.338 11.536 1.00 20.98 C ATOM 500 C LEU A 38 5.361 18.228 10.137 1.00 22.27 C ATOM 501 O LEU A 38 5.881 17.530 9.274 1.00 22.02 O ATOM 502 CB LEU A 38 5.195 17.435 12.494 1.00 21.90 C ATOM 503 CG LEU A 38 5.771 17.324 13.906 1.00 21.34 C ATOM 504 CD1 LEU A 38 4.926 16.367 14.721 1.00 21.60 C ATOM 505 CD2 LEU A 38 7.212 16.846 13.829 1.00 21.39 C ATOM 506 HA LEU A 38 7.010 18.018 11.480 1.00 0.00 H ATOM 507 HB2 LEU A 38 4.180 17.824 12.575 1.00 0.00 H ATOM 508 HB3 LEU A 38 5.166 16.434 12.063 1.00 0.00 H ATOM 509 HG LEU A 38 5.756 18.299 14.393 1.00 0.00 H ATOM 510 HD21 LEU A 38 7.244 15.870 13.345 1.00 0.00 H ATOM 511 HD22 LEU A 38 7.800 17.559 13.251 1.00 0.00 H ATOM 512 HD23 LEU A 38 7.622 16.767 14.836 1.00 0.00 H ATOM 513 HD11 LEU A 38 3.904 16.741 14.773 1.00 0.00 H ATOM 514 HD12 LEU A 38 4.932 15.385 14.247 1.00 0.00 H ATOM 515 HD13 LEU A 38 5.337 16.288 15.727 1.00 0.00 H ATOM 516 H LEU A 38 5.471 19.934 12.910 1.00 0.00 H ATOM 517 N LYS A 39 4.253 18.918 9.919 1.00 22.07 N ATOM 518 CA LYS A 39 3.585 18.861 8.627 1.00 24.15 C ATOM 519 C LYS A 39 4.316 19.616 7.535 1.00 24.27 C ATOM 520 O LYS A 39 4.116 19.355 6.343 1.00 25.36 O ATOM 521 CB LYS A 39 2.154 19.380 8.755 1.00 24.03 C ATOM 522 CG LYS A 39 1.278 18.431 9.538 1.00 25.24 C ATOM 523 CD LYS A 39 -0.174 18.878 9.533 1.00 27.64 C ATOM 524 CE LYS A 39 -1.083 17.749 10.014 1.00 29.17 C ATOM 525 NZ LYS A 39 -2.506 18.172 10.118 1.00 30.48 N ATOM 526 HA LYS A 39 3.580 17.813 8.327 1.00 0.00 H ATOM 527 HB2 LYS A 39 2.173 20.344 9.264 1.00 0.00 H ATOM 528 HB3 LYS A 39 1.734 19.506 7.757 1.00 0.00 H ATOM 529 HG2 LYS A 39 1.345 17.438 9.092 1.00 0.00 H ATOM 530 HG3 LYS A 39 1.632 18.390 10.568 1.00 0.00 H ATOM 531 HD2 LYS A 39 -0.288 19.737 10.195 1.00 0.00 H ATOM 532 HD3 LYS A 39 -0.459 19.161 8.520 1.00 0.00 H ATOM 533 HE2 LYS A 39 -0.743 17.419 10.996 1.00 0.00 H ATOM 534 HE3 LYS A 39 -1.014 16.920 9.310 1.00 0.00 H ATOM 535 HZ1 LYS A 39 -2.584 18.958 10.794 1.00 0.00 H ATOM 536 HZ2 LYS A 39 -2.844 18.481 9.184 1.00 0.00 H ATOM 537 HZ3 LYS A 39 -3.081 17.371 10.448 1.00 0.00 H ATOM 538 H LYS A 39 3.856 19.507 10.678 1.00 0.00 H ATOM 539 N SER A 40 5.170 20.549 7.930 1.00 23.92 N ATOM 540 CA SER A 40 5.918 21.305 6.947 1.00 24.01 C ATOM 541 C SER A 40 6.966 20.393 6.297 1.00 24.58 C ATOM 542 O SER A 40 7.527 20.737 5.277 1.00 24.55 O ATOM 543 CB SER A 40 6.590 22.525 7.596 1.00 23.60 C ATOM 544 OG SER A 40 7.742 22.153 8.327 1.00 24.59 O ATOM 545 HA SER A 40 5.234 21.670 6.181 1.00 0.00 H ATOM 546 HB2 SER A 40 5.881 23.003 8.271 1.00 0.00 H ATOM 547 HB3 SER A 40 6.877 23.229 6.815 1.00 0.00 H ATOM 548 HG SER A 40 7.487 21.517 9.042 1.00 0.00 H ATOM 549 H SER A 40 5.303 20.738 8.944 1.00 0.00 H ATOM 550 N VAL A 41 7.228 19.231 6.900 1.00 24.74 N ATOM 551 CA VAL A 41 8.194 18.297 6.322 1.00 24.87 C ATOM 552 C VAL A 41 7.570 16.976 5.883 1.00 25.26 C ATOM 553 O VAL A 41 8.254 15.977 5.759 1.00 25.48 O ATOM 554 CB VAL A 41 9.414 18.001 7.263 1.00 24.68 C ATOM 555 CG1 VAL A 41 10.289 19.228 7.369 1.00 24.52 C ATOM 556 CG2 VAL A 41 8.944 17.539 8.633 1.00 24.56 C ATOM 557 HA VAL A 41 8.559 18.818 5.437 1.00 0.00 H ATOM 558 HB VAL A 41 10.003 17.192 6.832 1.00 0.00 H ATOM 559 HG11 VAL A 41 10.655 19.499 6.378 1.00 0.00 H ATOM 560 HG12 VAL A 41 9.708 20.053 7.781 1.00 0.00 H ATOM 561 HG13 VAL A 41 11.134 19.015 8.024 1.00 0.00 H ATOM 562 HG21 VAL A 41 8.332 18.318 9.087 1.00 0.00 H ATOM 563 HG22 VAL A 41 8.355 16.628 8.526 1.00 0.00 H ATOM 564 HG23 VAL A 41 9.810 17.341 9.265 1.00 0.00 H ATOM 565 H VAL A 41 6.742 18.988 7.787 1.00 0.00 H ATOM 566 N GLY A 42 6.260 16.968 5.661 1.00 27.24 N ATOM 567 CA GLY A 42 5.635 15.747 5.174 1.00 27.37 C ATOM 568 C GLY A 42 4.769 14.904 6.085 1.00 28.22 C ATOM 569 O GLY A 42 4.079 14.018 5.598 1.00 27.84 O ATOM 570 HA3 GLY A 42 6.442 15.102 4.827 1.00 0.00 H ATOM 571 HA2 GLY A 42 5.010 16.033 4.328 1.00 0.00 H ATOM 572 H GLY A 42 5.690 17.821 5.833 1.00 0.00 H ATOM 573 N ALA A 43 4.814 15.163 7.393 1.00 27.27 N ATOM 574 CA ALA A 43 4.000 14.415 8.339 1.00 28.87 C ATOM 575 C ALA A 43 2.546 14.666 7.967 1.00 29.35 C ATOM 576 O ALA A 43 2.187 15.761 7.561 1.00 28.41 O ATOM 577 CB ALA A 43 4.277 14.871 9.772 1.00 27.17 C ATOM 578 HA ALA A 43 4.234 13.351 8.293 1.00 0.00 H ATOM 579 HB1 ALA A 43 5.329 14.708 10.007 1.00 0.00 H ATOM 580 HB2 ALA A 43 4.042 15.931 9.866 1.00 0.00 H ATOM 581 HB3 ALA A 43 3.657 14.297 10.461 1.00 0.00 H ATOM 582 H ALA A 43 5.443 15.914 7.743 1.00 0.00 H ATOM 583 N GLN A 44 1.716 13.641 8.103 1.00 31.65 N ATOM 584 CA GLN A 44 0.309 13.757 7.731 1.00 34.72 C ATOM 585 C GLN A 44 -0.687 13.426 8.826 1.00 35.03 C ATOM 586 O GLN A 44 -1.890 13.509 8.605 1.00 36.09 O ATOM 587 CB GLN A 44 0.022 12.836 6.554 1.00 35.62 C ATOM 588 CG GLN A 44 0.737 13.192 5.279 1.00 39.41 C ATOM 589 CD GLN A 44 0.263 12.322 4.139 1.00 41.49 C ATOM 590 OE1 GLN A 44 -0.941 12.076 4.000 1.00 42.68 O ATOM 591 NE2 GLN A 44 1.195 11.849 3.317 1.00 41.92 N ATOM 592 HA GLN A 44 0.171 14.812 7.493 1.00 0.00 H ATOM 593 HB2 GLN A 44 0.316 11.825 6.836 1.00 0.00 H ATOM 594 HB3 GLN A 44 -1.050 12.860 6.359 1.00 0.00 H ATOM 595 HG2 GLN A 44 0.540 14.237 5.038 1.00 0.00 H ATOM 596 HG3 GLN A 44 1.809 13.048 5.417 1.00 0.00 H ATOM 597 HE22 GLN A 44 2.196 12.084 3.475 1.00 0.00 H ATOM 598 HE21 GLN A 44 0.923 11.244 2.516 1.00 0.00 H ATOM 599 H GLN A 44 2.073 12.740 8.481 1.00 0.00 H ATOM 600 N LYS A 45 -0.195 13.059 10.001 1.00 34.59 N ATOM 601 CA LYS A 45 -1.089 12.678 11.080 1.00 33.91 C ATOM 602 C LYS A 45 -1.197 13.682 12.221 1.00 33.59 C ATOM 603 O LYS A 45 -0.493 14.681 12.248 1.00 32.44 O ATOM 604 CB LYS A 45 -0.648 11.331 11.632 1.00 34.74 C ATOM 605 CG LYS A 45 -0.162 10.379 10.558 1.00 36.52 C ATOM 606 CD LYS A 45 0.278 9.055 11.154 1.00 37.88 C ATOM 607 CE LYS A 45 1.386 9.239 12.177 1.00 38.31 C ATOM 608 NZ LYS A 45 1.754 7.953 12.836 1.00 39.93 N ATOM 609 HA LYS A 45 -2.085 12.635 10.640 1.00 0.00 H ATOM 610 HB2 LYS A 45 0.162 11.495 12.343 1.00 0.00 H ATOM 611 HB3 LYS A 45 -1.493 10.873 12.146 1.00 0.00 H ATOM 612 HG2 LYS A 45 -0.971 10.199 9.850 1.00 0.00 H ATOM 613 HG3 LYS A 45 0.681 10.832 10.037 1.00 0.00 H ATOM 614 HD2 LYS A 45 -0.577 8.585 11.640 1.00 0.00 H ATOM 615 HD3 LYS A 45 0.640 8.410 10.353 1.00 0.00 H ATOM 616 HE2 LYS A 45 1.049 9.942 12.939 1.00 0.00 H ATOM 617 HE3 LYS A 45 2.266 9.643 11.675 1.00 0.00 H ATOM 618 HZ1 LYS A 45 0.922 7.564 13.323 1.00 0.00 H ATOM 619 HZ2 LYS A 45 2.083 7.278 12.117 1.00 0.00 H ATOM 620 HZ3 LYS A 45 2.513 8.123 13.526 1.00 0.00 H ATOM 621 H LYS A 45 0.834 13.044 10.150 1.00 0.00 H ATOM 622 N ASP A 46 -2.101 13.394 13.157 1.00 32.50 N ATOM 623 CA ASP A 46 -2.319 14.237 14.321 1.00 32.70 C ATOM 624 C ASP A 46 -1.801 13.570 15.586 1.00 31.55 C ATOM 625 O ASP A 46 -1.699 14.208 16.633 1.00 32.94 O ATOM 626 CB ASP A 46 -3.806 14.554 14.493 1.00 34.68 C ATOM 627 CG ASP A 46 -4.326 15.513 13.431 1.00 36.35 C ATOM 628 OD1 ASP A 46 -3.497 16.097 12.700 1.00 36.82 O ATOM 629 OD2 ASP A 46 -5.560 15.688 13.339 1.00 37.67 O ATOM 630 HA ASP A 46 -1.769 15.164 14.157 1.00 0.00 H ATOM 631 HB2 ASP A 46 -4.371 13.624 14.431 1.00 0.00 H ATOM 632 HB3 ASP A 46 -3.956 15.004 15.474 1.00 0.00 H ATOM 633 H ASP A 46 -2.673 12.532 13.050 1.00 0.00 H ATOM 634 N THR A 47 -1.506 12.276 15.492 1.00 30.38 N ATOM 635 CA THR A 47 -0.963 11.507 16.620 1.00 29.91 C ATOM 636 C THR A 47 0.262 10.763 16.109 1.00 28.21 C ATOM 637 O THR A 47 0.247 10.252 15.001 1.00 27.53 O ATOM 638 CB THR A 47 -1.968 10.460 17.171 1.00 30.52 C ATOM 639 OG1 THR A 47 -2.074 9.363 16.258 1.00 33.35 O ATOM 640 CG2 THR A 47 -3.335 11.072 17.355 1.00 32.38 C ATOM 641 HA THR A 47 -0.734 12.199 17.430 1.00 0.00 H ATOM 642 HB THR A 47 -1.599 10.113 18.136 1.00 0.00 H ATOM 643 HG1 THR A 47 -1.186 8.939 16.148 1.00 0.00 H ATOM 644 HG23 THR A 47 -3.266 11.909 18.049 1.00 0.00 H ATOM 645 HG21 THR A 47 -3.706 11.425 16.393 1.00 0.00 H ATOM 646 HG22 THR A 47 -4.017 10.322 17.755 1.00 0.00 H ATOM 647 H THR A 47 -1.666 11.791 14.586 1.00 0.00 H ATOM 648 N TYR A 48 1.319 10.726 16.915 1.00 26.25 N ATOM 649 CA TYR A 48 2.561 10.067 16.532 1.00 24.43 C ATOM 650 C TYR A 48 3.196 9.377 17.735 1.00 23.88 C ATOM 651 O TYR A 48 2.807 9.616 18.880 1.00 24.83 O ATOM 652 CB TYR A 48 3.584 11.094 16.006 1.00 24.10 C ATOM 653 CG TYR A 48 3.108 11.987 14.874 1.00 25.49 C ATOM 654 CD1 TYR A 48 2.233 13.052 15.112 1.00 24.35 C ATOM 655 CD2 TYR A 48 3.556 11.782 13.565 1.00 26.69 C ATOM 656 CE1 TYR A 48 1.824 13.890 14.073 1.00 26.47 C ATOM 657 CE2 TYR A 48 3.152 12.609 12.525 1.00 26.88 C ATOM 658 CZ TYR A 48 2.291 13.656 12.777 1.00 27.03 C ATOM 659 OH TYR A 48 1.891 14.448 11.723 1.00 26.52 O ATOM 660 HA TYR A 48 2.313 9.341 15.758 1.00 0.00 H ATOM 661 HB3 TYR A 48 4.457 10.545 15.654 1.00 0.00 H ATOM 662 HB2 TYR A 48 3.872 11.736 16.839 1.00 0.00 H ATOM 663 HD2 TYR A 48 4.236 10.956 13.357 1.00 0.00 H ATOM 664 HE2 TYR A 48 3.514 12.431 11.513 1.00 0.00 H ATOM 665 HE1 TYR A 48 1.146 14.720 14.271 1.00 0.00 H ATOM 666 HD1 TYR A 48 1.865 13.230 16.123 1.00 0.00 H ATOM 667 HH TYR A 48 1.279 15.152 12.054 1.00 0.00 H ATOM 668 H TYR A 48 1.257 11.182 17.848 1.00 0.00 H ATOM 669 N THR A 49 4.176 8.519 17.474 1.00 22.36 N ATOM 670 CA THR A 49 4.920 7.888 18.556 1.00 21.01 C ATOM 671 C THR A 49 6.090 8.852 18.698 1.00 19.81 C ATOM 672 O THR A 49 6.411 9.570 17.749 1.00 16.60 O ATOM 673 CB THR A 49 5.480 6.511 18.174 1.00 22.43 C ATOM 674 OG1 THR A 49 6.286 6.622 16.989 1.00 21.65 O ATOM 675 CG2 THR A 49 4.345 5.515 17.952 1.00 22.14 C ATOM 676 HA THR A 49 4.306 7.721 19.441 1.00 0.00 H ATOM 677 HB THR A 49 6.101 6.146 18.992 1.00 0.00 H ATOM 678 HG1 THR A 49 6.643 5.730 16.749 1.00 0.00 H ATOM 679 HG23 THR A 49 3.744 5.443 18.859 1.00 0.00 H ATOM 680 HG21 THR A 49 3.720 5.856 17.127 1.00 0.00 H ATOM 681 HG22 THR A 49 4.763 4.537 17.713 1.00 0.00 H ATOM 682 H THR A 49 4.415 8.295 16.487 1.00 0.00 H ATOM 683 N MET A 50 6.721 8.886 19.866 1.00 17.44 N ATOM 684 CA MET A 50 7.829 9.809 20.055 1.00 18.41 C ATOM 685 C MET A 50 8.945 9.639 19.032 1.00 18.19 C ATOM 686 O MET A 50 9.534 10.610 18.605 1.00 18.67 O ATOM 687 CB MET A 50 8.387 9.688 21.466 1.00 17.38 C ATOM 688 CG MET A 50 7.490 10.362 22.478 1.00 18.45 C ATOM 689 SD MET A 50 7.352 12.156 22.239 1.00 21.37 S ATOM 690 CE MET A 50 8.969 12.640 22.758 1.00 19.61 C ATOM 691 HA MET A 50 7.421 10.808 19.903 1.00 0.00 H ATOM 692 HB2 MET A 50 8.478 8.632 21.721 1.00 0.00 H ATOM 693 HB3 MET A 50 9.371 10.155 21.499 1.00 0.00 H ATOM 694 HG2 MET A 50 7.892 10.176 23.474 1.00 0.00 H ATOM 695 HG3 MET A 50 6.494 9.926 22.402 1.00 0.00 H ATOM 696 HE1 MET A 50 9.123 12.336 23.793 1.00 0.00 H ATOM 697 HE2 MET A 50 9.712 12.159 22.122 1.00 0.00 H ATOM 698 HE3 MET A 50 9.066 13.723 22.677 1.00 0.00 H ATOM 699 H MET A 50 6.425 8.257 20.640 1.00 0.00 H ATOM 700 N LYS A 51 9.221 8.405 18.622 1.00 18.29 N ATOM 701 CA LYS A 51 10.286 8.185 17.643 1.00 16.98 C ATOM 702 C LYS A 51 9.965 8.763 16.256 1.00 16.52 C ATOM 703 O LYS A 51 10.874 9.114 15.503 1.00 14.30 O ATOM 704 CB LYS A 51 10.632 6.696 17.546 1.00 17.78 C ATOM 705 CG LYS A 51 9.485 5.745 17.206 1.00 19.48 C ATOM 706 CD LYS A 51 9.959 4.288 17.245 1.00 21.71 C ATOM 707 CE LYS A 51 8.900 3.340 16.704 1.00 25.95 C ATOM 708 NZ LYS A 51 9.399 1.926 16.669 1.00 27.25 N ATOM 709 HA LYS A 51 11.157 8.731 18.007 1.00 0.00 H ATOM 710 HB2 LYS A 51 11.394 6.583 16.775 1.00 0.00 H ATOM 711 HB3 LYS A 51 11.042 6.389 18.508 1.00 0.00 H ATOM 712 HG2 LYS A 51 8.682 5.880 17.930 1.00 0.00 H ATOM 713 HG3 LYS A 51 9.114 5.974 16.207 1.00 0.00 H ATOM 714 HD2 LYS A 51 10.861 4.193 16.641 1.00 0.00 H ATOM 715 HD3 LYS A 51 10.184 4.016 18.276 1.00 0.00 H ATOM 716 HE2 LYS A 51 8.632 3.647 15.693 1.00 0.00 H ATOM 717 HE3 LYS A 51 8.019 3.390 17.344 1.00 0.00 H ATOM 718 HZ1 LYS A 51 10.237 1.871 16.056 1.00 0.00 H ATOM 719 HZ2 LYS A 51 9.652 1.625 17.632 1.00 0.00 H ATOM 720 HZ3 LYS A 51 8.653 1.305 16.295 1.00 0.00 H ATOM 721 H LYS A 51 8.682 7.598 18.996 1.00 0.00 H ATOM 722 N GLU A 52 8.678 8.875 15.921 1.00 15.64 N ATOM 723 CA GLU A 52 8.280 9.461 14.637 1.00 16.14 C ATOM 724 C GLU A 52 8.453 10.964 14.748 1.00 15.21 C ATOM 725 O GLU A 52 8.913 11.600 13.821 1.00 14.34 O ATOM 726 CB GLU A 52 6.811 9.169 14.312 1.00 17.67 C ATOM 727 CG GLU A 52 6.484 7.733 13.945 1.00 19.93 C ATOM 728 CD GLU A 52 5.003 7.557 13.633 1.00 23.18 C ATOM 729 OE1 GLU A 52 4.174 7.882 14.504 1.00 21.86 O ATOM 730 OE2 GLU A 52 4.660 7.105 12.520 1.00 27.30 O ATOM 731 HA GLU A 52 8.895 9.031 13.846 1.00 0.00 H ATOM 732 HB2 GLU A 52 6.217 9.434 15.186 1.00 0.00 H ATOM 733 HB3 GLU A 52 6.522 9.802 13.473 1.00 0.00 H ATOM 734 HG2 GLU A 52 7.067 7.450 13.068 1.00 0.00 H ATOM 735 HG3 GLU A 52 6.749 7.085 14.780 1.00 0.00 H ATOM 736 H GLU A 52 7.946 8.542 16.581 1.00 0.00 H ATOM 737 N VAL A 53 8.049 11.516 15.892 1.00 14.71 N ATOM 738 CA VAL A 53 8.182 12.945 16.127 1.00 14.28 C ATOM 739 C VAL A 53 9.652 13.315 15.936 1.00 15.14 C ATOM 740 O VAL A 53 9.960 14.249 15.224 1.00 14.41 O ATOM 741 CB VAL A 53 7.738 13.336 17.571 1.00 13.60 C ATOM 742 CG1 VAL A 53 8.198 14.749 17.913 1.00 13.01 C ATOM 743 CG2 VAL A 53 6.220 13.256 17.691 1.00 13.74 C ATOM 744 HA VAL A 53 7.540 13.481 15.428 1.00 0.00 H ATOM 745 HB VAL A 53 8.197 12.636 18.269 1.00 0.00 H ATOM 746 HG11 VAL A 53 9.285 14.801 17.852 1.00 0.00 H ATOM 747 HG12 VAL A 53 7.759 15.454 17.206 1.00 0.00 H ATOM 748 HG13 VAL A 53 7.877 14.999 18.924 1.00 0.00 H ATOM 749 HG21 VAL A 53 5.764 13.942 16.977 1.00 0.00 H ATOM 750 HG22 VAL A 53 5.893 12.238 17.478 1.00 0.00 H ATOM 751 HG23 VAL A 53 5.922 13.531 18.703 1.00 0.00 H ATOM 752 H VAL A 53 7.631 10.914 16.630 1.00 0.00 H ATOM 753 N LEU A 54 10.552 12.568 16.574 1.00 14.79 N ATOM 754 CA LEU A 54 11.978 12.849 16.451 1.00 13.32 C ATOM 755 C LEU A 54 12.448 12.740 14.993 1.00 15.27 C ATOM 756 O LEU A 54 13.281 13.520 14.549 1.00 14.33 O ATOM 757 CB LEU A 54 12.797 11.913 17.345 1.00 15.64 C ATOM 758 CG LEU A 54 12.996 12.291 18.823 1.00 15.16 C ATOM 759 CD1 LEU A 54 13.831 13.559 18.919 1.00 17.59 C ATOM 760 CD2 LEU A 54 11.653 12.475 19.516 1.00 17.30 C ATOM 761 HA LEU A 54 12.139 13.875 16.781 1.00 0.00 H ATOM 762 HB2 LEU A 54 12.307 10.940 17.326 1.00 0.00 H ATOM 763 HB3 LEU A 54 13.788 11.828 16.899 1.00 0.00 H ATOM 764 HG LEU A 54 13.524 11.482 19.328 1.00 0.00 H ATOM 765 HD21 LEU A 54 11.096 13.270 19.020 1.00 0.00 H ATOM 766 HD22 LEU A 54 11.087 11.545 19.462 1.00 0.00 H ATOM 767 HD23 LEU A 54 11.818 12.742 20.560 1.00 0.00 H ATOM 768 HD11 LEU A 54 14.802 13.389 18.455 1.00 0.00 H ATOM 769 HD12 LEU A 54 13.317 14.371 18.403 1.00 0.00 H ATOM 770 HD13 LEU A 54 13.969 13.823 19.967 1.00 0.00 H ATOM 771 H LEU A 54 10.234 11.775 17.167 1.00 0.00 H ATOM 772 N PHE A 55 11.914 11.774 14.250 1.00 14.56 N ATOM 773 CA PHE A 55 12.296 11.637 12.849 1.00 14.00 C ATOM 774 C PHE A 55 11.991 12.914 12.062 1.00 12.35 C ATOM 775 O PHE A 55 12.851 13.462 11.411 1.00 12.20 O ATOM 776 CB PHE A 55 11.570 10.485 12.163 1.00 14.63 C ATOM 777 CG PHE A 55 11.755 10.484 10.671 1.00 15.22 C ATOM 778 CD1 PHE A 55 12.981 10.152 10.108 1.00 16.36 C ATOM 779 CD2 PHE A 55 10.721 10.887 9.833 1.00 17.12 C ATOM 780 CE1 PHE A 55 13.175 10.211 8.725 1.00 18.32 C ATOM 781 CE2 PHE A 55 10.904 10.950 8.450 1.00 18.25 C ATOM 782 CZ PHE A 55 12.136 10.616 7.895 1.00 17.27 C ATOM 783 HA PHE A 55 13.368 11.440 12.853 1.00 0.00 H ATOM 784 HB2 PHE A 55 11.952 9.545 12.562 1.00 0.00 H ATOM 785 HB3 PHE A 55 10.505 10.565 12.382 1.00 0.00 H ATOM 786 HD2 PHE A 55 9.756 11.157 10.261 1.00 0.00 H ATOM 787 HE2 PHE A 55 10.082 11.261 7.805 1.00 0.00 H ATOM 788 HZ PHE A 55 12.285 10.672 6.817 1.00 0.00 H ATOM 789 HE1 PHE A 55 14.140 9.940 8.298 1.00 0.00 H ATOM 790 HD1 PHE A 55 13.803 9.841 10.753 1.00 0.00 H ATOM 791 H PHE A 55 11.225 11.117 14.668 1.00 0.00 H ATOM 792 N TYR A 56 10.742 13.367 12.133 1.00 13.80 N ATOM 793 CA TYR A 56 10.339 14.567 11.411 1.00 15.58 C ATOM 794 C TYR A 56 11.037 15.832 11.898 1.00 16.18 C ATOM 795 O TYR A 56 11.331 16.704 11.112 1.00 15.89 O ATOM 796 CB TYR A 56 8.816 14.721 11.456 1.00 16.82 C ATOM 797 CG TYR A 56 8.114 13.659 10.633 1.00 19.87 C ATOM 798 CD1 TYR A 56 8.192 13.662 9.237 1.00 20.81 C ATOM 799 CD2 TYR A 56 7.416 12.621 11.245 1.00 21.05 C ATOM 800 CE1 TYR A 56 7.594 12.655 8.474 1.00 23.06 C ATOM 801 CE2 TYR A 56 6.816 11.604 10.488 1.00 23.72 C ATOM 802 CZ TYR A 56 6.907 11.632 9.111 1.00 24.06 C ATOM 803 OH TYR A 56 6.303 10.639 8.375 1.00 26.19 O ATOM 804 HA TYR A 56 10.658 14.436 10.377 1.00 0.00 H ATOM 805 HB3 TYR A 56 8.549 15.703 11.065 1.00 0.00 H ATOM 806 HB2 TYR A 56 8.484 14.641 12.491 1.00 0.00 H ATOM 807 HD2 TYR A 56 7.334 12.598 12.332 1.00 0.00 H ATOM 808 HE2 TYR A 56 6.280 10.795 10.985 1.00 0.00 H ATOM 809 HE1 TYR A 56 7.667 12.673 7.387 1.00 0.00 H ATOM 810 HD1 TYR A 56 8.730 14.466 8.734 1.00 0.00 H ATOM 811 HH TYR A 56 6.460 10.802 7.411 1.00 0.00 H ATOM 812 H TYR A 56 10.044 12.858 12.712 1.00 0.00 H ATOM 813 N LEU A 57 11.298 15.930 13.199 1.00 15.80 N ATOM 814 CA LEU A 57 12.006 17.095 13.715 1.00 16.18 C ATOM 815 C LEU A 57 13.421 17.079 13.148 1.00 15.87 C ATOM 816 O LEU A 57 13.995 18.124 12.847 1.00 16.17 O ATOM 817 CB LEU A 57 12.042 17.075 15.246 1.00 17.76 C ATOM 818 CG LEU A 57 10.769 17.649 15.861 1.00 20.06 C ATOM 819 CD1 LEU A 57 10.787 17.506 17.374 1.00 22.43 C ATOM 820 CD2 LEU A 57 10.665 19.115 15.462 1.00 22.37 C ATOM 821 HA LEU A 57 11.490 18.006 13.412 1.00 0.00 H ATOM 822 HB2 LEU A 57 12.160 16.045 15.581 1.00 0.00 H ATOM 823 HB3 LEU A 57 12.893 17.666 15.585 1.00 0.00 H ATOM 824 HG LEU A 57 9.902 17.100 15.493 1.00 0.00 H ATOM 825 HD21 LEU A 57 11.537 19.654 15.833 1.00 0.00 H ATOM 826 HD22 LEU A 57 10.624 19.193 14.376 1.00 0.00 H ATOM 827 HD23 LEU A 57 9.760 19.544 15.892 1.00 0.00 H ATOM 828 HD11 LEU A 57 10.860 16.451 17.637 1.00 0.00 H ATOM 829 HD12 LEU A 57 11.645 18.042 17.778 1.00 0.00 H ATOM 830 HD13 LEU A 57 9.869 17.923 17.788 1.00 0.00 H ATOM 831 H LEU A 57 10.997 15.175 13.848 1.00 0.00 H ATOM 832 N GLY A 58 13.982 15.882 13.007 1.00 15.41 N ATOM 833 CA GLY A 58 15.313 15.762 12.442 1.00 16.11 C ATOM 834 C GLY A 58 15.242 16.248 11.003 1.00 17.38 C ATOM 835 O GLY A 58 16.073 17.021 10.552 1.00 17.91 O ATOM 836 HA3 GLY A 58 15.637 14.722 12.469 1.00 0.00 H ATOM 837 HA2 GLY A 58 16.015 16.374 13.008 1.00 0.00 H ATOM 838 H GLY A 58 13.465 15.029 13.303 1.00 0.00 H ATOM 839 N GLN A 59 14.219 15.794 10.287 1.00 17.37 N ATOM 840 CA GLN A 59 14.033 16.200 8.897 1.00 17.70 C ATOM 841 C GLN A 59 13.884 17.717 8.795 1.00 17.53 C ATOM 842 O GLN A 59 14.396 18.334 7.872 1.00 16.99 O ATOM 843 CB GLN A 59 12.796 15.525 8.302 1.00 19.96 C ATOM 844 CG GLN A 59 12.952 14.039 8.007 1.00 21.63 C ATOM 845 CD GLN A 59 14.274 13.715 7.330 1.00 24.23 C ATOM 846 OE1 GLN A 59 15.252 13.368 7.985 1.00 28.94 O ATOM 847 NE2 GLN A 59 14.305 13.833 6.014 1.00 26.81 N ATOM 848 HA GLN A 59 14.914 15.890 8.335 1.00 0.00 H ATOM 849 HB2 GLN A 59 11.973 15.645 9.007 1.00 0.00 H ATOM 850 HB3 GLN A 59 12.550 16.031 7.368 1.00 0.00 H ATOM 851 HG2 GLN A 59 12.896 13.488 8.946 1.00 0.00 H ATOM 852 HG3 GLN A 59 12.138 13.725 7.354 1.00 0.00 H ATOM 853 HE22 GLN A 59 13.452 14.130 5.498 1.00 0.00 H ATOM 854 HE21 GLN A 59 15.182 13.629 5.494 1.00 0.00 H ATOM 855 H GLN A 59 13.540 15.139 10.724 1.00 0.00 H ATOM 856 N TYR A 60 13.183 18.312 9.757 1.00 17.87 N ATOM 857 CA TYR A 60 12.971 19.759 9.781 1.00 17.88 C ATOM 858 C TYR A 60 14.303 20.488 9.949 1.00 18.47 C ATOM 859 O TYR A 60 14.583 21.458 9.261 1.00 18.11 O ATOM 860 CB TYR A 60 12.023 20.134 10.925 1.00 17.90 C ATOM 861 CG TYR A 60 11.806 21.622 11.095 1.00 18.26 C ATOM 862 CD1 TYR A 60 10.809 22.295 10.379 1.00 18.52 C ATOM 863 CD2 TYR A 60 12.605 22.366 11.965 1.00 18.22 C ATOM 864 CE1 TYR A 60 10.614 23.668 10.531 1.00 19.84 C ATOM 865 CE2 TYR A 60 12.420 23.744 12.118 1.00 20.14 C ATOM 866 CZ TYR A 60 11.421 24.386 11.397 1.00 20.05 C ATOM 867 OH TYR A 60 11.234 25.738 11.536 1.00 20.94 O ATOM 868 HA TYR A 60 12.522 20.060 8.834 1.00 0.00 H ATOM 869 HB3 TYR A 60 12.437 19.741 11.854 1.00 0.00 H ATOM 870 HB2 TYR A 60 11.056 19.668 10.734 1.00 0.00 H ATOM 871 HD2 TYR A 60 13.387 21.864 12.535 1.00 0.00 H ATOM 872 HE2 TYR A 60 13.056 24.311 12.799 1.00 0.00 H ATOM 873 HE1 TYR A 60 9.829 24.174 9.970 1.00 0.00 H ATOM 874 HD1 TYR A 60 10.174 21.737 9.691 1.00 0.00 H ATOM 875 HH TYR A 60 10.487 26.028 10.955 1.00 0.00 H ATOM 876 H TYR A 60 12.773 17.730 10.515 1.00 0.00 H ATOM 877 N ILE A 61 15.122 20.000 10.873 1.00 18.77 N ATOM 878 CA ILE A 61 16.432 20.582 11.132 1.00 17.77 C ATOM 879 C ILE A 61 17.298 20.506 9.876 1.00 19.73 C ATOM 880 O ILE A 61 17.955 21.455 9.527 1.00 19.93 O ATOM 881 CB ILE A 61 17.127 19.847 12.301 1.00 18.15 C ATOM 882 CG1 ILE A 61 16.352 20.109 13.598 1.00 18.35 C ATOM 883 CG2 ILE A 61 18.577 20.313 12.440 1.00 18.46 C ATOM 884 CD1 ILE A 61 16.762 19.225 14.756 1.00 20.85 C ATOM 885 HA ILE A 61 16.299 21.628 11.408 1.00 0.00 H ATOM 886 HB ILE A 61 17.135 18.776 12.098 1.00 0.00 H ATOM 887 HG12 ILE A 61 16.511 21.148 13.888 1.00 0.00 H ATOM 888 HG13 ILE A 61 15.292 19.946 13.402 1.00 0.00 H ATOM 889 HD11 ILE A 61 16.598 18.181 14.490 1.00 0.00 H ATOM 890 HD12 ILE A 61 17.818 19.383 14.976 1.00 0.00 H ATOM 891 HD13 ILE A 61 16.165 19.476 15.633 1.00 0.00 H ATOM 892 HG21 ILE A 61 19.116 20.100 11.517 1.00 0.00 H ATOM 893 HG22 ILE A 61 18.596 21.385 12.634 1.00 0.00 H ATOM 894 HG23 ILE A 61 19.049 19.784 13.268 1.00 0.00 H ATOM 895 H ILE A 61 14.819 19.176 11.430 1.00 0.00 H ATOM 896 N MET A 62 17.267 19.359 9.204 1.00 20.75 N ATOM 897 CA MET A 62 18.030 19.137 7.971 1.00 23.73 C ATOM 898 C MET A 62 17.583 20.056 6.826 1.00 25.04 C ATOM 899 O MET A 62 18.396 20.660 6.159 1.00 25.32 O ATOM 900 CB MET A 62 17.872 17.692 7.487 1.00 25.83 C ATOM 901 CG MET A 62 18.451 16.628 8.398 1.00 29.65 C ATOM 902 SD MET A 62 20.173 16.957 8.727 1.00 35.71 S ATOM 903 CE MET A 62 20.932 16.492 7.138 1.00 35.12 C ATOM 904 HA MET A 62 19.068 19.356 8.222 1.00 0.00 H ATOM 905 HB2 MET A 62 16.807 17.491 7.372 1.00 0.00 H ATOM 906 HB3 MET A 62 18.363 17.607 6.518 1.00 0.00 H ATOM 907 HG2 MET A 62 18.357 15.654 7.918 1.00 0.00 H ATOM 908 HG3 MET A 62 17.900 16.622 9.339 1.00 0.00 H ATOM 909 HE1 MET A 62 20.723 15.443 6.930 1.00 0.00 H ATOM 910 HE2 MET A 62 20.516 17.111 6.343 1.00 0.00 H ATOM 911 HE3 MET A 62 22.010 16.645 7.193 1.00 0.00 H ATOM 912 H MET A 62 16.676 18.585 9.569 1.00 0.00 H ATOM 913 N THR A 63 16.274 20.143 6.622 1.00 25.70 N ATOM 914 CA THR A 63 15.711 20.955 5.552 1.00 26.92 C ATOM 915 C THR A 63 15.949 22.445 5.767 1.00 27.35 C ATOM 916 O THR A 63 16.176 23.184 4.818 1.00 27.86 O ATOM 917 CB THR A 63 14.205 20.690 5.398 1.00 27.52 C ATOM 918 OG1 THR A 63 13.519 21.110 6.578 1.00 33.11 O ATOM 919 CG2 THR A 63 13.957 19.219 5.209 1.00 27.38 C ATOM 920 HA THR A 63 16.227 20.663 4.637 1.00 0.00 H ATOM 921 HB THR A 63 13.843 21.244 4.532 1.00 0.00 H ATOM 922 HG1 THR A 63 13.864 20.605 7.356 1.00 0.00 H ATOM 923 HG23 THR A 63 14.473 18.877 4.312 1.00 0.00 H ATOM 924 HG21 THR A 63 14.332 18.674 6.075 1.00 0.00 H ATOM 925 HG22 THR A 63 12.887 19.043 5.103 1.00 0.00 H ATOM 926 H THR A 63 15.631 19.615 7.246 1.00 0.00 H ATOM 927 N LYS A 64 15.905 22.888 7.019 1.00 25.94 N ATOM 928 CA LYS A 64 16.133 24.292 7.332 1.00 26.46 C ATOM 929 C LYS A 64 17.623 24.599 7.438 1.00 26.92 C ATOM 930 O LYS A 64 18.013 25.727 7.754 1.00 26.86 O ATOM 931 CB LYS A 64 15.445 24.654 8.642 1.00 26.48 C ATOM 932 CG LYS A 64 13.923 24.553 8.614 1.00 27.55 C ATOM 933 CD LYS A 64 13.271 25.716 7.853 1.00 30.17 C ATOM 934 CE LYS A 64 13.621 27.055 8.496 1.00 32.30 C ATOM 935 NZ LYS A 64 12.428 27.892 8.839 1.00 33.00 N ATOM 936 HA LYS A 64 15.714 24.888 6.521 1.00 0.00 H ATOM 937 HB2 LYS A 64 15.816 23.983 9.417 1.00 0.00 H ATOM 938 HB3 LYS A 64 15.713 25.680 8.894 1.00 0.00 H ATOM 939 HG2 LYS A 64 13.643 23.617 8.130 1.00 0.00 H ATOM 940 HG3 LYS A 64 13.553 24.555 9.639 1.00 0.00 H ATOM 941 HD2 LYS A 64 13.626 25.712 6.822 1.00 0.00 H ATOM 942 HD3 LYS A 64 12.189 25.587 7.864 1.00 0.00 H ATOM 943 HE2 LYS A 64 14.247 27.616 7.802 1.00 0.00 H ATOM 944 HE3 LYS A 64 14.180 26.861 9.412 1.00 0.00 H ATOM 945 HZ1 LYS A 64 11.889 28.096 7.973 1.00 0.00 H ATOM 946 HZ2 LYS A 64 11.825 27.375 9.510 1.00 0.00 H ATOM 947 HZ3 LYS A 64 12.744 28.784 9.271 1.00 0.00 H ATOM 948 H LYS A 64 15.704 22.220 7.790 1.00 0.00 H ATOM 949 N ARG A 65 18.451 23.592 7.177 1.00 27.61 N ATOM 950 CA ARG A 65 19.898 23.745 7.227 1.00 29.59 C ATOM 951 C ARG A 65 20.417 24.260 8.566 1.00 29.79 C ATOM 952 O ARG A 65 21.277 25.124 8.629 1.00 29.01 O ATOM 953 CB ARG A 65 20.356 24.639 6.068 1.00 32.69 C ATOM 954 CG ARG A 65 20.297 23.889 4.741 1.00 36.44 C ATOM 955 CD ARG A 65 20.577 24.751 3.520 1.00 40.31 C ATOM 956 NE ARG A 65 21.970 25.185 3.408 1.00 43.66 N ATOM 957 CZ ARG A 65 22.485 25.680 2.285 1.00 45.27 C ATOM 958 NH1 ARG A 65 21.713 25.792 1.204 1.00 46.08 N ATOM 959 NH2 ARG A 65 23.760 26.048 2.233 1.00 45.06 N ATOM 960 HA ARG A 65 20.331 22.750 7.120 1.00 0.00 H ATOM 961 HB2 ARG A 65 19.706 25.512 6.013 1.00 0.00 H ATOM 962 HB3 ARG A 65 21.381 24.961 6.250 1.00 0.00 H ATOM 963 HG2 ARG A 65 21.035 23.087 4.769 1.00 0.00 H ATOM 964 HG3 ARG A 65 19.300 23.461 4.635 1.00 0.00 H ATOM 965 HD2 ARG A 65 19.944 25.637 3.572 1.00 0.00 H ATOM 966 HD3 ARG A 65 20.323 24.177 2.629 1.00 0.00 H ATOM 967 HE ARG A 65 22.585 25.103 4.243 1.00 0.00 H ATOM 968 HH12 ARG A 65 22.106 26.178 0.322 1.00 0.00 H ATOM 969 HH11 ARG A 65 20.717 25.494 1.243 1.00 0.00 H ATOM 970 HH22 ARG A 65 24.154 26.434 1.351 1.00 0.00 H ATOM 971 HH21 ARG A 65 24.364 25.950 3.074 1.00 0.00 H ATOM 972 H ARG A 65 18.052 22.664 6.929 1.00 0.00 H ATOM 973 N LEU A 66 19.878 23.695 9.638 1.00 29.18 N ATOM 974 CA LEU A 66 20.277 24.070 10.983 1.00 30.30 C ATOM 975 C LEU A 66 21.299 23.070 11.547 1.00 32.08 C ATOM 976 O LEU A 66 21.676 23.149 12.694 1.00 32.09 O ATOM 977 CB LEU A 66 19.037 24.141 11.888 1.00 28.89 C ATOM 978 CG LEU A 66 17.934 25.172 11.569 1.00 28.84 C ATOM 979 CD1 LEU A 66 16.770 25.000 12.538 1.00 28.08 C ATOM 980 CD2 LEU A 66 18.492 26.592 11.650 1.00 28.58 C ATOM 981 HA LEU A 66 20.751 25.051 10.949 1.00 0.00 H ATOM 982 HB2 LEU A 66 18.570 23.157 11.867 1.00 0.00 H ATOM 983 HB3 LEU A 66 19.390 24.353 12.897 1.00 0.00 H ATOM 984 HG LEU A 66 17.575 25.004 10.554 1.00 0.00 H ATOM 985 HD21 LEU A 66 18.870 26.776 12.656 1.00 0.00 H ATOM 986 HD22 LEU A 66 19.302 26.704 10.930 1.00 0.00 H ATOM 987 HD23 LEU A 66 17.700 27.306 11.422 1.00 0.00 H ATOM 988 HD11 LEU A 66 16.363 23.994 12.440 1.00 0.00 H ATOM 989 HD12 LEU A 66 17.123 25.153 13.558 1.00 0.00 H ATOM 990 HD13 LEU A 66 15.995 25.731 12.307 1.00 0.00 H ATOM 991 H LEU A 66 19.150 22.963 9.512 1.00 0.00 H ATOM 992 N TYR A 67 21.750 22.135 10.712 1.00 35.54 N ATOM 993 CA TYR A 67 22.723 21.127 11.148 1.00 38.47 C ATOM 994 C TYR A 67 24.030 21.211 10.369 1.00 38.60 C ATOM 995 O TYR A 67 24.052 21.082 9.148 1.00 38.99 O ATOM 996 CB TYR A 67 22.140 19.717 11.002 1.00 42.21 C ATOM 997 CG TYR A 67 23.049 18.600 11.486 1.00 46.25 C ATOM 998 CD1 TYR A 67 23.401 18.496 12.833 1.00 47.26 C ATOM 999 CD2 TYR A 67 23.533 17.630 10.602 1.00 47.85 C ATOM 1000 CE1 TYR A 67 24.209 17.449 13.295 1.00 49.28 C ATOM 1001 CE2 TYR A 67 24.343 16.575 11.055 1.00 49.82 C ATOM 1002 CZ TYR A 67 24.676 16.492 12.403 1.00 49.97 C ATOM 1003 OH TYR A 67 25.479 15.454 12.856 1.00 51.04 O ATOM 1004 HA TYR A 67 22.939 21.333 12.196 1.00 0.00 H ATOM 1005 HB3 TYR A 67 21.924 19.546 9.947 1.00 0.00 H ATOM 1006 HB2 TYR A 67 21.213 19.672 11.573 1.00 0.00 H ATOM 1007 HD2 TYR A 67 23.278 17.694 9.544 1.00 0.00 H ATOM 1008 HE2 TYR A 67 24.709 15.825 10.353 1.00 0.00 H ATOM 1009 HE1 TYR A 67 24.470 17.385 14.351 1.00 0.00 H ATOM 1010 HD1 TYR A 67 23.040 19.244 13.539 1.00 0.00 H ATOM 1011 HH TYR A 67 26.354 15.489 12.394 1.00 0.00 H ATOM 1012 H TYR A 67 21.405 22.119 9.731 1.00 0.00 H ATOM 1013 N ASP A 68 25.116 21.442 11.104 1.00 39.13 N ATOM 1014 CA ASP A 68 26.455 21.550 10.539 1.00 38.73 C ATOM 1015 C ASP A 68 27.432 20.970 11.551 1.00 38.35 C ATOM 1016 O ASP A 68 27.432 21.370 12.724 1.00 37.22 O ATOM 1017 CB ASP A 68 26.808 23.017 10.283 1.00 39.56 C ATOM 1018 CG ASP A 68 28.074 23.173 9.462 1.00 40.31 C ATOM 1019 OD1 ASP A 68 29.023 22.393 9.698 1.00 40.82 O ATOM 1020 OD2 ASP A 68 28.117 24.074 8.588 1.00 39.75 O ATOM 1021 HA ASP A 68 26.504 21.012 9.592 1.00 0.00 H ATOM 1022 HB2 ASP A 68 25.983 23.487 9.748 1.00 0.00 H ATOM 1023 HB3 ASP A 68 26.949 23.516 11.242 1.00 0.00 H ATOM 1024 H ASP A 68 25.003 21.551 12.132 1.00 0.00 H ATOM 1025 N GLU A 69 28.256 20.026 11.111 1.00 38.44 N ATOM 1026 CA GLU A 69 29.233 19.407 12.002 1.00 40.15 C ATOM 1027 C GLU A 69 30.261 20.392 12.537 1.00 39.11 C ATOM 1028 O GLU A 69 30.807 20.198 13.614 1.00 38.79 O ATOM 1029 CB GLU A 69 29.947 18.259 11.291 1.00 42.70 C ATOM 1030 CG GLU A 69 29.143 16.974 11.302 1.00 46.60 C ATOM 1031 CD GLU A 69 28.819 16.506 12.713 1.00 49.10 C ATOM 1032 OE1 GLU A 69 29.320 17.114 13.692 1.00 50.44 O ATOM 1033 OE2 GLU A 69 28.063 15.519 12.843 1.00 51.81 O ATOM 1034 HA GLU A 69 28.673 19.029 12.857 1.00 0.00 H ATOM 1035 HB2 GLU A 69 30.128 18.548 10.256 1.00 0.00 H ATOM 1036 HB3 GLU A 69 30.900 18.079 11.789 1.00 0.00 H ATOM 1037 HG2 GLU A 69 28.209 17.140 10.765 1.00 0.00 H ATOM 1038 HG3 GLU A 69 29.717 16.197 10.798 1.00 0.00 H ATOM 1039 H GLU A 69 28.205 19.723 10.117 1.00 0.00 H ATOM 1040 N LYS A 70 30.524 21.449 11.774 1.00 38.71 N ATOM 1041 CA LYS A 70 31.491 22.451 12.207 1.00 37.67 C ATOM 1042 C LYS A 70 30.973 23.177 13.447 1.00 37.00 C ATOM 1043 O LYS A 70 31.709 23.893 14.114 1.00 36.70 O ATOM 1044 CB LYS A 70 31.761 23.439 11.085 1.00 37.71 C ATOM 1045 HA LYS A 70 32.427 21.953 12.461 1.00 0.00 H ATOM 1046 HB2 LYS A 70 32.160 22.906 10.222 1.00 0.00 H ATOM 1047 HB3 LYS A 70 30.831 23.936 10.809 1.00 0.00 H ATOM 1048 H LYS A 70 30.037 21.562 10.862 1.00 0.00 H ATOM 1049 N GLN A 71 29.694 22.985 13.756 1.00 36.55 N ATOM 1050 CA GLN A 71 29.117 23.631 14.926 1.00 35.86 C ATOM 1051 C GLN A 71 29.281 22.750 16.155 1.00 35.42 C ATOM 1052 O GLN A 71 28.671 22.984 17.199 1.00 35.66 O ATOM 1053 CB GLN A 71 27.653 23.986 14.670 1.00 35.84 C ATOM 1054 CG GLN A 71 27.515 25.121 13.646 1.00 35.62 C ATOM 1055 CD GLN A 71 26.072 25.456 13.292 1.00 35.67 C ATOM 1056 OE1 GLN A 71 25.815 26.311 12.417 1.00 35.43 O ATOM 1057 NE2 GLN A 71 25.122 24.793 13.951 1.00 33.71 N ATOM 1058 HA GLN A 71 29.651 24.561 15.118 1.00 0.00 H ATOM 1059 HB2 GLN A 71 27.136 23.104 14.292 1.00 0.00 H ATOM 1060 HB3 GLN A 71 27.196 24.299 15.609 1.00 0.00 H ATOM 1061 HG2 GLN A 71 27.985 26.014 14.057 1.00 0.00 H ATOM 1062 HG3 GLN A 71 28.034 24.826 12.734 1.00 0.00 H ATOM 1063 HE22 GLN A 71 25.383 24.090 14.671 1.00 0.00 H ATOM 1064 HE21 GLN A 71 24.120 24.979 13.745 1.00 0.00 H ATOM 1065 H GLN A 71 29.104 22.371 13.159 1.00 0.00 H ATOM 1066 N GLN A 72 30.142 21.743 16.016 1.00 34.85 N ATOM 1067 CA GLN A 72 30.463 20.810 17.099 1.00 34.63 C ATOM 1068 C GLN A 72 29.235 20.251 17.835 1.00 33.34 C ATOM 1069 O GLN A 72 29.086 20.426 19.034 1.00 33.22 O ATOM 1070 CB GLN A 72 31.396 21.504 18.096 1.00 36.85 C ATOM 1071 CG GLN A 72 32.713 22.054 17.463 1.00 41.30 C ATOM 1072 CD GLN A 72 33.664 22.707 18.455 1.00 42.99 C ATOM 1073 OE1 GLN A 72 34.805 23.036 18.109 1.00 44.93 O ATOM 1074 NE2 GLN A 72 33.205 22.901 19.686 1.00 45.25 N ATOM 1075 HA GLN A 72 30.947 19.950 16.636 1.00 0.00 H ATOM 1076 HB2 GLN A 72 30.857 22.339 18.545 1.00 0.00 H ATOM 1077 HB3 GLN A 72 31.663 20.786 18.872 1.00 0.00 H ATOM 1078 HG2 GLN A 72 33.235 21.224 16.986 1.00 0.00 H ATOM 1079 HG3 GLN A 72 32.446 22.794 16.709 1.00 0.00 H ATOM 1080 HE22 GLN A 72 32.238 22.608 19.933 1.00 0.00 H ATOM 1081 HE21 GLN A 72 33.813 23.346 20.403 1.00 0.00 H ATOM 1082 H GLN A 72 30.608 21.613 15.095 1.00 0.00 H ATOM 1083 N HIS A 73 28.371 19.567 17.092 1.00 31.12 N ATOM 1084 CA HIS A 73 27.156 18.968 17.639 1.00 29.95 C ATOM 1085 C HIS A 73 26.042 19.933 18.069 1.00 27.98 C ATOM 1086 O HIS A 73 24.970 19.478 18.444 1.00 27.77 O ATOM 1087 CB HIS A 73 27.492 18.055 18.835 1.00 32.15 C ATOM 1088 CG HIS A 73 28.551 17.037 18.554 1.00 33.54 C ATOM 1089 ND1 HIS A 73 28.548 16.239 17.432 1.00 34.43 N ATOM 1090 CD2 HIS A 73 29.660 16.685 19.260 1.00 34.18 C ATOM 1091 CE1 HIS A 73 29.604 15.444 17.448 1.00 35.13 C ATOM 1092 NE2 HIS A 73 30.293 15.701 18.552 1.00 35.81 N ATOM 1093 HA HIS A 73 26.753 18.413 16.792 1.00 0.00 H ATOM 1094 HB2 HIS A 73 27.831 18.683 19.659 1.00 0.00 H ATOM 1095 HB3 HIS A 73 26.583 17.530 19.130 1.00 0.00 H ATOM 1096 HD2 HIS A 73 29.983 17.108 20.211 1.00 0.00 H ATOM 1097 HE1 HIS A 73 29.863 14.707 16.688 1.00 0.00 H ATOM 1098 H HIS A 73 28.568 19.453 16.077 1.00 0.00 H ATOM 1099 N ILE A 74 26.276 21.247 18.041 1.00 25.94 N ATOM 1100 CA ILE A 74 25.217 22.170 18.454 1.00 24.56 C ATOM 1101 C ILE A 74 24.394 22.697 17.279 1.00 23.66 C ATOM 1102 O ILE A 74 24.913 22.958 16.199 1.00 23.39 O ATOM 1103 CB ILE A 74 25.754 23.420 19.225 1.00 25.44 C ATOM 1104 CG1 ILE A 74 26.608 22.999 20.420 1.00 24.86 C ATOM 1105 CG2 ILE A 74 24.594 24.232 19.764 1.00 25.97 C ATOM 1106 CD1 ILE A 74 28.055 22.845 20.076 1.00 28.30 C ATOM 1107 HA ILE A 74 24.594 21.564 19.112 1.00 0.00 H ATOM 1108 HB ILE A 74 26.351 24.005 18.525 1.00 0.00 H ATOM 1109 HG12 ILE A 74 26.514 23.756 21.199 1.00 0.00 H ATOM 1110 HG13 ILE A 74 26.236 22.046 20.795 1.00 0.00 H ATOM 1111 HD11 ILE A 74 28.165 22.083 19.304 1.00 0.00 H ATOM 1112 HD12 ILE A 74 28.443 23.795 19.708 1.00 0.00 H ATOM 1113 HD13 ILE A 74 28.609 22.545 20.966 1.00 0.00 H ATOM 1114 HG21 ILE A 74 23.967 24.562 18.936 1.00 0.00 H ATOM 1115 HG22 ILE A 74 24.005 23.616 20.443 1.00 0.00 H ATOM 1116 HG23 ILE A 74 24.978 25.100 20.299 1.00 0.00 H ATOM 1117 H ILE A 74 27.199 21.611 17.730 1.00 0.00 H ATOM 1118 N VAL A 75 23.099 22.841 17.526 1.00 22.53 N ATOM 1119 CA VAL A 75 22.156 23.380 16.567 1.00 22.20 C ATOM 1120 C VAL A 75 21.811 24.760 17.109 1.00 22.44 C ATOM 1121 O VAL A 75 21.490 24.883 18.260 1.00 22.52 O ATOM 1122 CB VAL A 75 20.852 22.556 16.530 1.00 22.46 C ATOM 1123 CG1 VAL A 75 19.777 23.324 15.792 1.00 22.82 C ATOM 1124 CG2 VAL A 75 21.093 21.215 15.867 1.00 22.10 C ATOM 1125 HA VAL A 75 22.581 23.379 15.563 1.00 0.00 H ATOM 1126 HB VAL A 75 20.519 22.378 17.552 1.00 0.00 H ATOM 1127 HG11 VAL A 75 19.591 24.269 16.303 1.00 0.00 H ATOM 1128 HG12 VAL A 75 20.108 23.520 14.772 1.00 0.00 H ATOM 1129 HG13 VAL A 75 18.860 22.734 15.771 1.00 0.00 H ATOM 1130 HG21 VAL A 75 21.443 21.373 14.847 1.00 0.00 H ATOM 1131 HG22 VAL A 75 21.846 20.663 16.429 1.00 0.00 H ATOM 1132 HG23 VAL A 75 20.163 20.647 15.850 1.00 0.00 H ATOM 1133 H VAL A 75 22.741 22.551 18.458 1.00 0.00 H ATOM 1134 N TYR A 76 21.896 25.792 16.275 1.00 22.53 N ATOM 1135 CA TYR A 76 21.547 27.146 16.702 1.00 22.58 C ATOM 1136 C TYR A 76 20.219 27.501 16.065 1.00 22.79 C ATOM 1137 O TYR A 76 20.125 27.723 14.876 1.00 23.96 O ATOM 1138 CB TYR A 76 22.631 28.136 16.288 1.00 23.29 C ATOM 1139 CG TYR A 76 23.911 27.895 17.040 1.00 23.11 C ATOM 1140 CD1 TYR A 76 24.095 28.407 18.327 1.00 22.19 C ATOM 1141 CD2 TYR A 76 24.906 27.080 16.505 1.00 23.35 C ATOM 1142 CE1 TYR A 76 25.226 28.106 19.061 1.00 24.07 C ATOM 1143 CE2 TYR A 76 26.040 26.770 17.236 1.00 23.23 C ATOM 1144 CZ TYR A 76 26.190 27.284 18.513 1.00 23.54 C ATOM 1145 OH TYR A 76 27.286 26.942 19.264 1.00 24.97 O ATOM 1146 HA TYR A 76 21.467 27.193 17.788 1.00 0.00 H ATOM 1147 HB3 TYR A 76 22.284 29.149 16.493 1.00 0.00 H ATOM 1148 HB2 TYR A 76 22.821 28.028 15.220 1.00 0.00 H ATOM 1149 HD2 TYR A 76 24.790 26.681 15.497 1.00 0.00 H ATOM 1150 HE2 TYR A 76 26.809 26.126 16.810 1.00 0.00 H ATOM 1151 HE1 TYR A 76 25.356 28.514 20.063 1.00 0.00 H ATOM 1152 HD1 TYR A 76 23.333 29.055 18.759 1.00 0.00 H ATOM 1153 HH TYR A 76 27.236 27.394 20.143 1.00 0.00 H ATOM 1154 H TYR A 76 22.217 25.633 15.299 1.00 0.00 H ATOM 1155 N CYS A 77 19.196 27.555 16.903 1.00 23.07 N ATOM 1156 CA CYS A 77 17.837 27.804 16.457 1.00 23.26 C ATOM 1157 C CYS A 77 17.219 29.076 17.018 1.00 23.15 C ATOM 1158 O CYS A 77 16.008 29.224 17.026 1.00 22.68 O ATOM 1159 CB CYS A 77 16.978 26.611 16.864 1.00 22.70 C ATOM 1160 SG CYS A 77 17.232 26.164 18.608 1.00 23.86 S ATOM 1161 HA CYS A 77 17.875 27.939 15.376 1.00 0.00 H ATOM 1162 HB2 CYS A 77 17.239 25.757 16.238 1.00 0.00 H ATOM 1163 HB3 CYS A 77 15.928 26.863 16.713 1.00 0.00 H ATOM 1164 HG CYS A 77 16.896 27.236 19.410 1.00 0.00 H ATOM 1165 H CYS A 77 19.372 27.414 17.918 1.00 0.00 H ATOM 1166 N SER A 78 18.052 29.987 17.496 1.00 22.93 N ATOM 1167 CA SER A 78 17.547 31.224 18.069 1.00 25.48 C ATOM 1168 C SER A 78 16.678 32.038 17.108 1.00 25.46 C ATOM 1169 O SER A 78 15.728 32.694 17.531 1.00 24.54 O ATOM 1170 CB SER A 78 18.707 32.094 18.555 1.00 26.54 C ATOM 1171 OG SER A 78 18.250 32.968 19.567 1.00 30.84 O ATOM 1172 HA SER A 78 16.910 30.928 18.903 1.00 0.00 H ATOM 1173 HB2 SER A 78 19.099 32.677 17.721 1.00 0.00 H ATOM 1174 HB3 SER A 78 19.497 31.457 18.954 1.00 0.00 H ATOM 1175 HG SER A 78 19.002 33.530 19.880 1.00 0.00 H ATOM 1176 H SER A 78 19.077 29.816 17.461 1.00 0.00 H ATOM 1177 N ASN A 79 16.994 31.988 15.821 1.00 26.35 N ATOM 1178 CA ASN A 79 16.223 32.741 14.839 1.00 28.57 C ATOM 1179 C ASN A 79 15.227 31.898 14.060 1.00 27.73 C ATOM 1180 O ASN A 79 14.749 32.309 13.003 1.00 28.69 O ATOM 1181 CB ASN A 79 17.152 33.426 13.843 1.00 32.23 C ATOM 1182 CG ASN A 79 17.082 34.926 13.946 1.00 36.85 C ATOM 1183 OD1 ASN A 79 17.711 35.532 14.836 1.00 39.83 O ATOM 1184 ND2 ASN A 79 16.294 35.548 13.066 1.00 36.39 N ATOM 1185 HA ASN A 79 15.656 33.471 15.417 1.00 0.00 H ATOM 1186 HB2 ASN A 79 18.176 33.107 14.039 1.00 0.00 H ATOM 1187 HB3 ASN A 79 16.867 33.129 12.834 1.00 0.00 H ATOM 1188 HD22 ASN A 79 15.789 34.999 12.341 1.00 0.00 H ATOM 1189 HD21 ASN A 79 16.185 36.582 13.105 1.00 0.00 H ATOM 1190 H ASN A 79 17.798 31.407 15.510 1.00 0.00 H ATOM 1191 N ASP A 80 14.921 30.717 14.581 1.00 25.28 N ATOM 1192 CA ASP A 80 13.985 29.824 13.925 1.00 22.46 C ATOM 1193 C ASP A 80 12.829 29.514 14.858 1.00 21.32 C ATOM 1194 O ASP A 80 12.963 29.577 16.093 1.00 20.57 O ATOM 1195 CB ASP A 80 14.677 28.512 13.552 1.00 22.29 C ATOM 1196 CG ASP A 80 13.864 27.692 12.588 1.00 23.45 C ATOM 1197 OD1 ASP A 80 13.991 27.932 11.367 1.00 25.50 O ATOM 1198 OD2 ASP A 80 13.089 26.828 13.046 1.00 21.58 O ATOM 1199 HA ASP A 80 13.617 30.313 13.023 1.00 0.00 H ATOM 1200 HB2 ASP A 80 15.639 28.741 13.094 1.00 0.00 H ATOM 1201 HB3 ASP A 80 14.838 27.930 14.459 1.00 0.00 H ATOM 1202 H ASP A 80 15.361 30.426 15.477 1.00 0.00 H ATOM 1203 N LEU A 81 11.692 29.162 14.273 1.00 18.71 N ATOM 1204 CA LEU A 81 10.527 28.806 15.066 1.00 18.92 C ATOM 1205 C LEU A 81 10.899 27.666 16.003 1.00 19.19 C ATOM 1206 O LEU A 81 10.298 27.510 17.039 1.00 19.80 O ATOM 1207 CB LEU A 81 9.373 28.359 14.169 1.00 18.68 C ATOM 1208 CG LEU A 81 8.707 29.458 13.336 1.00 19.49 C ATOM 1209 CD1 LEU A 81 7.646 28.865 12.419 1.00 20.47 C ATOM 1210 CD2 LEU A 81 8.099 30.496 14.288 1.00 19.41 C ATOM 1211 HA LEU A 81 10.208 29.680 15.633 1.00 0.00 H ATOM 1212 HB2 LEU A 81 9.757 27.605 13.482 1.00 0.00 H ATOM 1213 HB3 LEU A 81 8.609 27.913 14.805 1.00 0.00 H ATOM 1214 HG LEU A 81 9.449 29.943 12.702 1.00 0.00 H ATOM 1215 HD21 LEU A 81 7.358 30.013 14.925 1.00 0.00 H ATOM 1216 HD22 LEU A 81 8.887 30.925 14.907 1.00 0.00 H ATOM 1217 HD23 LEU A 81 7.621 31.285 13.707 1.00 0.00 H ATOM 1218 HD11 LEU A 81 8.111 28.144 11.747 1.00 0.00 H ATOM 1219 HD12 LEU A 81 6.886 28.366 13.020 1.00 0.00 H ATOM 1220 HD13 LEU A 81 7.185 29.662 11.836 1.00 0.00 H ATOM 1221 H LEU A 81 11.633 29.140 13.235 1.00 0.00 H ATOM 1222 N LEU A 82 11.900 26.875 15.621 1.00 19.07 N ATOM 1223 CA LEU A 82 12.323 25.759 16.454 1.00 19.16 C ATOM 1224 C LEU A 82 12.841 26.274 17.794 1.00 19.88 C ATOM 1225 O LEU A 82 12.669 25.629 18.801 1.00 20.58 O ATOM 1226 CB LEU A 82 13.417 24.946 15.766 1.00 19.83 C ATOM 1227 CG LEU A 82 13.856 23.686 16.524 1.00 19.42 C ATOM 1228 CD1 LEU A 82 12.689 22.695 16.600 1.00 21.13 C ATOM 1229 CD2 LEU A 82 15.049 23.063 15.830 1.00 19.97 C ATOM 1230 HA LEU A 82 11.460 25.114 16.617 1.00 0.00 H ATOM 1231 HB2 LEU A 82 13.048 24.642 14.786 1.00 0.00 H ATOM 1232 HB3 LEU A 82 14.289 25.588 15.641 1.00 0.00 H ATOM 1233 HG LEU A 82 14.148 23.953 17.540 1.00 0.00 H ATOM 1234 HD21 LEU A 82 14.775 22.795 14.810 1.00 0.00 H ATOM 1235 HD22 LEU A 82 15.871 23.779 15.811 1.00 0.00 H ATOM 1236 HD23 LEU A 82 15.357 22.169 16.372 1.00 0.00 H ATOM 1237 HD11 LEU A 82 11.853 23.159 17.124 1.00 0.00 H ATOM 1238 HD12 LEU A 82 12.380 22.421 15.591 1.00 0.00 H ATOM 1239 HD13 LEU A 82 13.006 21.802 17.139 1.00 0.00 H ATOM 1240 H LEU A 82 12.384 27.057 14.719 1.00 0.00 H ATOM 1241 N GLY A 83 13.477 27.443 17.787 1.00 19.45 N ATOM 1242 CA GLY A 83 13.985 28.015 19.023 1.00 21.36 C ATOM 1243 C GLY A 83 12.842 28.343 19.972 1.00 23.33 C ATOM 1244 O GLY A 83 12.978 28.236 21.194 1.00 22.48 O ATOM 1245 HA3 GLY A 83 14.535 28.928 18.796 1.00 0.00 H ATOM 1246 HA2 GLY A 83 14.653 27.299 19.501 1.00 0.00 H ATOM 1247 H GLY A 83 13.612 27.951 16.890 1.00 0.00 H ATOM 1248 N ASP A 84 11.708 28.744 19.405 1.00 23.07 N ATOM 1249 CA ASP A 84 10.533 29.071 20.199 1.00 25.12 C ATOM 1250 C ASP A 84 9.803 27.801 20.612 1.00 23.72 C ATOM 1251 O ASP A 84 9.179 27.764 21.657 1.00 24.69 O ATOM 1252 CB ASP A 84 9.571 29.970 19.415 1.00 28.85 C ATOM 1253 CG ASP A 84 10.081 31.397 19.276 1.00 33.26 C ATOM 1254 OD1 ASP A 84 10.239 32.078 20.311 1.00 37.29 O ATOM 1255 OD2 ASP A 84 10.320 31.838 18.131 1.00 35.15 O ATOM 1256 HA ASP A 84 10.872 29.605 21.087 1.00 0.00 H ATOM 1257 HB2 ASP A 84 9.435 29.550 18.419 1.00 0.00 H ATOM 1258 HB3 ASP A 84 8.612 29.991 19.933 1.00 0.00 H ATOM 1259 H ASP A 84 11.660 28.826 18.369 1.00 0.00 H ATOM 1260 N LEU A 85 9.867 26.763 19.785 1.00 22.32 N ATOM 1261 CA LEU A 85 9.206 25.511 20.135 1.00 21.30 C ATOM 1262 C LEU A 85 9.912 24.916 21.359 1.00 21.13 C ATOM 1263 O LEU A 85 9.275 24.560 22.345 1.00 21.08 O ATOM 1264 CB LEU A 85 9.280 24.509 18.980 1.00 21.59 C ATOM 1265 CG LEU A 85 8.536 23.186 19.215 1.00 23.00 C ATOM 1266 CD1 LEU A 85 7.046 23.375 18.956 1.00 21.57 C ATOM 1267 CD2 LEU A 85 9.088 22.100 18.306 1.00 24.36 C ATOM 1268 HA LEU A 85 8.156 25.712 20.349 1.00 0.00 H ATOM 1269 HB2 LEU A 85 8.856 24.982 18.095 1.00 0.00 H ATOM 1270 HB3 LEU A 85 10.330 24.279 18.800 1.00 0.00 H ATOM 1271 HG LEU A 85 8.682 22.881 20.251 1.00 0.00 H ATOM 1272 HD21 LEU A 85 8.961 22.400 17.266 1.00 0.00 H ATOM 1273 HD22 LEU A 85 10.147 21.955 18.517 1.00 0.00 H ATOM 1274 HD23 LEU A 85 8.550 21.169 18.486 1.00 0.00 H ATOM 1275 HD11 LEU A 85 6.654 24.134 19.634 1.00 0.00 H ATOM 1276 HD12 LEU A 85 6.895 23.694 17.925 1.00 0.00 H ATOM 1277 HD13 LEU A 85 6.527 22.432 19.125 1.00 0.00 H ATOM 1278 H LEU A 85 10.388 26.843 18.889 1.00 0.00 H ATOM 1279 N PHE A 86 11.235 24.822 21.281 1.00 19.90 N ATOM 1280 CA PHE A 86 12.039 24.267 22.367 1.00 21.14 C ATOM 1281 C PHE A 86 12.295 25.235 23.528 1.00 21.73 C ATOM 1282 O PHE A 86 12.537 24.805 24.651 1.00 20.57 O ATOM 1283 CB PHE A 86 13.389 23.774 21.829 1.00 20.24 C ATOM 1284 CG PHE A 86 13.316 22.469 21.074 1.00 21.25 C ATOM 1285 CD1 PHE A 86 12.101 21.816 20.877 1.00 22.14 C ATOM 1286 CD2 PHE A 86 14.472 21.883 20.576 1.00 21.35 C ATOM 1287 CE1 PHE A 86 12.044 20.595 20.194 1.00 22.02 C ATOM 1288 CE2 PHE A 86 14.425 20.665 19.893 1.00 22.71 C ATOM 1289 CZ PHE A 86 13.203 20.021 19.704 1.00 22.77 C ATOM 1290 HA PHE A 86 11.447 23.444 22.768 1.00 0.00 H ATOM 1291 HB2 PHE A 86 13.788 24.535 21.159 1.00 0.00 H ATOM 1292 HB3 PHE A 86 14.066 23.643 22.673 1.00 0.00 H ATOM 1293 HD2 PHE A 86 15.431 22.381 20.720 1.00 0.00 H ATOM 1294 HE2 PHE A 86 15.342 20.219 19.509 1.00 0.00 H ATOM 1295 HZ PHE A 86 13.161 19.070 19.173 1.00 0.00 H ATOM 1296 HE1 PHE A 86 11.086 20.097 20.048 1.00 0.00 H ATOM 1297 HD1 PHE A 86 11.183 22.262 21.260 1.00 0.00 H ATOM 1298 H PHE A 86 11.713 25.154 20.419 1.00 0.00 H ATOM 1299 N GLY A 87 12.254 26.534 23.254 1.00 21.34 N ATOM 1300 CA GLY A 87 12.489 27.515 24.300 1.00 22.69 C ATOM 1301 C GLY A 87 13.954 27.697 24.669 1.00 23.54 C ATOM 1302 O GLY A 87 14.283 28.028 25.811 1.00 24.72 O ATOM 1303 HA3 GLY A 87 11.948 27.199 25.192 1.00 0.00 H ATOM 1304 HA2 GLY A 87 12.100 28.475 23.962 1.00 0.00 H ATOM 1305 H GLY A 87 12.052 26.851 22.284 1.00 0.00 H ATOM 1306 N VAL A 88 14.837 27.464 23.703 1.00 22.74 N ATOM 1307 CA VAL A 88 16.276 27.610 23.908 1.00 23.96 C ATOM 1308 C VAL A 88 16.906 28.162 22.627 1.00 22.85 C ATOM 1309 O VAL A 88 16.374 27.965 21.533 1.00 23.56 O ATOM 1310 CB VAL A 88 16.954 26.258 24.249 1.00 23.33 C ATOM 1311 CG1 VAL A 88 16.362 25.674 25.522 1.00 24.42 C ATOM 1312 CG2 VAL A 88 16.796 25.281 23.086 1.00 23.94 C ATOM 1313 HA VAL A 88 16.427 28.288 24.748 1.00 0.00 H ATOM 1314 HB VAL A 88 18.017 26.432 24.414 1.00 0.00 H ATOM 1315 HG11 VAL A 88 16.520 26.369 26.347 1.00 0.00 H ATOM 1316 HG12 VAL A 88 15.293 25.511 25.383 1.00 0.00 H ATOM 1317 HG13 VAL A 88 16.850 24.725 25.746 1.00 0.00 H ATOM 1318 HG21 VAL A 88 15.736 25.112 22.897 1.00 0.00 H ATOM 1319 HG22 VAL A 88 17.263 25.700 22.195 1.00 0.00 H ATOM 1320 HG23 VAL A 88 17.277 24.336 23.339 1.00 0.00 H ATOM 1321 H VAL A 88 14.491 27.167 22.768 1.00 0.00 H ATOM 1322 N PRO A 89 18.041 28.863 22.748 1.00 23.53 N ATOM 1323 CA PRO A 89 18.778 29.463 21.628 1.00 23.42 C ATOM 1324 C PRO A 89 19.615 28.436 20.862 1.00 23.81 C ATOM 1325 O PRO A 89 19.956 28.626 19.681 1.00 23.44 O ATOM 1326 CB PRO A 89 19.641 30.510 22.323 1.00 23.81 C ATOM 1327 CG PRO A 89 19.926 29.866 23.653 1.00 23.27 C ATOM 1328 CD PRO A 89 18.589 29.311 24.042 1.00 23.26 C ATOM 1329 HA PRO A 89 18.126 29.882 20.862 1.00 0.00 H ATOM 1330 HD3 PRO A 89 18.695 28.477 24.735 1.00 0.00 H ATOM 1331 HD2 PRO A 89 17.959 30.078 24.492 1.00 0.00 H ATOM 1332 HG3 PRO A 89 20.274 30.600 24.379 1.00 0.00 H ATOM 1333 HG2 PRO A 89 20.668 29.073 23.556 1.00 0.00 H ATOM 1334 HB2 PRO A 89 20.561 30.694 21.769 1.00 0.00 H ATOM 1335 HB3 PRO A 89 19.100 31.448 22.447 1.00 0.00 H ATOM 1336 N SER A 90 19.938 27.338 21.541 1.00 22.41 N ATOM 1337 CA SER A 90 20.737 26.272 20.947 1.00 22.26 C ATOM 1338 C SER A 90 20.676 25.033 21.835 1.00 21.50 C ATOM 1339 O SER A 90 20.195 25.091 22.948 1.00 21.26 O ATOM 1340 CB SER A 90 22.187 26.724 20.806 1.00 23.80 C ATOM 1341 OG SER A 90 22.760 26.947 22.083 1.00 25.33 O ATOM 1342 HA SER A 90 20.338 26.036 19.961 1.00 0.00 H ATOM 1343 HB2 SER A 90 22.221 27.649 20.230 1.00 0.00 H ATOM 1344 HB3 SER A 90 22.755 25.953 20.286 1.00 0.00 H ATOM 1345 HG SER A 90 23.700 27.239 21.975 1.00 0.00 H ATOM 1346 H SER A 90 19.611 27.237 22.523 1.00 0.00 H ATOM 1347 N PHE A 91 21.152 23.909 21.314 1.00 21.22 N ATOM 1348 CA PHE A 91 21.177 22.663 22.071 1.00 19.96 C ATOM 1349 C PHE A 91 22.069 21.661 21.355 1.00 20.07 C ATOM 1350 O PHE A 91 22.353 21.820 20.177 1.00 19.75 O ATOM 1351 CB PHE A 91 19.765 22.076 22.213 1.00 19.44 C ATOM 1352 CG PHE A 91 19.119 21.714 20.892 1.00 18.48 C ATOM 1353 CD1 PHE A 91 18.454 22.680 20.146 1.00 17.63 C ATOM 1354 CD2 PHE A 91 19.172 20.414 20.397 1.00 19.04 C ATOM 1355 CE1 PHE A 91 17.866 22.370 18.929 1.00 17.82 C ATOM 1356 CE2 PHE A 91 18.582 20.089 19.170 1.00 19.15 C ATOM 1357 CZ PHE A 91 17.924 21.067 18.439 1.00 18.10 C ATOM 1358 HA PHE A 91 21.566 22.870 23.068 1.00 0.00 H ATOM 1359 HB2 PHE A 91 19.826 21.176 22.824 1.00 0.00 H ATOM 1360 HB3 PHE A 91 19.135 22.811 22.714 1.00 0.00 H ATOM 1361 HD2 PHE A 91 19.679 19.639 20.972 1.00 0.00 H ATOM 1362 HE2 PHE A 91 18.640 19.069 18.790 1.00 0.00 H ATOM 1363 HZ PHE A 91 17.455 20.818 17.487 1.00 0.00 H ATOM 1364 HE1 PHE A 91 17.358 23.146 18.356 1.00 0.00 H ATOM 1365 HD1 PHE A 91 18.394 23.700 20.525 1.00 0.00 H ATOM 1366 H PHE A 91 21.517 23.917 20.340 1.00 0.00 H ATOM 1367 N SER A 92 22.501 20.626 22.067 1.00 19.28 N ATOM 1368 CA SER A 92 23.339 19.609 21.449 1.00 20.23 C ATOM 1369 C SER A 92 22.537 18.428 20.943 1.00 19.87 C ATOM 1370 O SER A 92 21.724 17.896 21.652 1.00 20.74 O ATOM 1371 CB SER A 92 24.380 19.078 22.425 1.00 20.09 C ATOM 1372 OG SER A 92 24.896 17.856 21.934 1.00 21.10 O ATOM 1373 HA SER A 92 23.824 20.103 20.607 1.00 0.00 H ATOM 1374 HB2 SER A 92 23.918 18.914 23.398 1.00 0.00 H ATOM 1375 HB3 SER A 92 25.189 19.802 22.525 1.00 0.00 H ATOM 1376 HG SER A 92 25.573 17.507 22.566 1.00 0.00 H ATOM 1377 H SER A 92 22.239 20.542 23.070 1.00 0.00 H ATOM 1378 N VAL A 93 22.782 18.013 19.708 1.00 20.66 N ATOM 1379 CA VAL A 93 22.060 16.874 19.154 1.00 21.53 C ATOM 1380 C VAL A 93 22.438 15.579 19.873 1.00 22.36 C ATOM 1381 O VAL A 93 21.861 14.536 19.623 1.00 20.86 O ATOM 1382 CB VAL A 93 22.359 16.709 17.656 1.00 20.74 C ATOM 1383 CG1 VAL A 93 21.918 17.947 16.906 1.00 19.82 C ATOM 1384 CG2 VAL A 93 23.839 16.462 17.454 1.00 22.00 C ATOM 1385 HA VAL A 93 20.997 17.071 19.295 1.00 0.00 H ATOM 1386 HB VAL A 93 21.807 15.853 17.268 1.00 0.00 H ATOM 1387 HG11 VAL A 93 20.847 18.093 17.046 1.00 0.00 H ATOM 1388 HG12 VAL A 93 22.457 18.813 17.289 1.00 0.00 H ATOM 1389 HG13 VAL A 93 22.133 17.823 15.845 1.00 0.00 H ATOM 1390 HG21 VAL A 93 24.404 17.309 17.844 1.00 0.00 H ATOM 1391 HG22 VAL A 93 24.130 15.554 17.983 1.00 0.00 H ATOM 1392 HG23 VAL A 93 24.045 16.346 16.390 1.00 0.00 H ATOM 1393 H VAL A 93 23.494 18.503 19.130 1.00 0.00 H ATOM 1394 N LYS A 94 23.402 15.660 20.786 1.00 22.88 N ATOM 1395 CA LYS A 94 23.855 14.473 21.530 1.00 23.97 C ATOM 1396 C LYS A 94 23.194 14.280 22.896 1.00 23.95 C ATOM 1397 O LYS A 94 23.288 13.205 23.486 1.00 24.76 O ATOM 1398 CB LYS A 94 25.373 14.522 21.738 1.00 24.75 C ATOM 1399 CG LYS A 94 26.195 14.451 20.464 1.00 27.12 C ATOM 1400 CD LYS A 94 26.055 13.112 19.787 1.00 29.79 C ATOM 1401 CE LYS A 94 26.914 13.033 18.533 1.00 30.99 C ATOM 1402 NZ LYS A 94 26.790 11.715 17.823 1.00 32.12 N ATOM 1403 HA LYS A 94 23.558 13.628 20.909 1.00 0.00 H ATOM 1404 HB2 LYS A 94 25.616 15.455 22.246 1.00 0.00 H ATOM 1405 HB3 LYS A 94 25.656 13.681 22.371 1.00 0.00 H ATOM 1406 HG2 LYS A 94 25.857 15.230 19.781 1.00 0.00 H ATOM 1407 HG3 LYS A 94 27.244 14.615 20.710 1.00 0.00 H ATOM 1408 HD2 LYS A 94 26.365 12.330 20.480 1.00 0.00 H ATOM 1409 HD3 LYS A 94 25.011 12.960 19.513 1.00 0.00 H ATOM 1410 HE2 LYS A 94 27.957 13.180 18.815 1.00 0.00 H ATOM 1411 HE3 LYS A 94 26.608 13.826 17.851 1.00 0.00 H ATOM 1412 HZ1 LYS A 94 27.088 10.950 18.461 1.00 0.00 H ATOM 1413 HZ2 LYS A 94 25.800 11.567 17.540 1.00 0.00 H ATOM 1414 HZ3 LYS A 94 27.396 11.719 16.978 1.00 0.00 H ATOM 1415 H LYS A 94 23.845 16.581 20.978 1.00 0.00 H ATOM 1416 N GLU A 95 22.522 15.318 23.380 1.00 22.90 N ATOM 1417 CA GLU A 95 21.874 15.259 24.672 1.00 22.75 C ATOM 1418 C GLU A 95 20.398 14.977 24.444 1.00 20.85 C ATOM 1419 O GLU A 95 19.563 15.868 24.407 1.00 21.07 O ATOM 1420 CB GLU A 95 22.113 16.568 25.409 1.00 24.97 C ATOM 1421 CG GLU A 95 23.614 16.897 25.479 1.00 29.79 C ATOM 1422 CD GLU A 95 23.939 18.165 26.252 1.00 33.41 C ATOM 1423 OE1 GLU A 95 23.017 18.959 26.540 1.00 36.84 O ATOM 1424 OE2 GLU A 95 25.135 18.367 26.567 1.00 36.07 O ATOM 1425 HA GLU A 95 22.282 14.462 25.294 1.00 0.00 H ATOM 1426 HB2 GLU A 95 21.596 17.372 24.885 1.00 0.00 H ATOM 1427 HB3 GLU A 95 21.719 16.484 26.422 1.00 0.00 H ATOM 1428 HG2 GLU A 95 24.125 16.063 25.960 1.00 0.00 H ATOM 1429 HG3 GLU A 95 23.987 17.012 24.461 1.00 0.00 H ATOM 1430 H GLU A 95 22.460 16.191 22.819 1.00 0.00 H ATOM 1431 N HIS A 96 20.097 13.692 24.297 1.00 19.27 N ATOM 1432 CA HIS A 96 18.744 13.230 23.992 1.00 17.45 C ATOM 1433 C HIS A 96 17.697 13.372 25.078 1.00 15.85 C ATOM 1434 O HIS A 96 16.556 13.618 24.767 1.00 16.22 O ATOM 1435 CB HIS A 96 18.817 11.797 23.475 1.00 17.27 C ATOM 1436 CG HIS A 96 19.724 11.641 22.296 1.00 18.80 C ATOM 1437 ND1 HIS A 96 20.032 10.420 21.749 1.00 18.70 N ATOM 1438 CD2 HIS A 96 20.401 12.564 21.562 1.00 18.45 C ATOM 1439 CE1 HIS A 96 20.858 10.587 20.730 1.00 19.39 C ATOM 1440 NE2 HIS A 96 21.094 11.881 20.599 1.00 19.27 N ATOM 1441 HA HIS A 96 18.377 13.918 23.230 1.00 0.00 H ATOM 1442 HB2 HIS A 96 19.180 11.157 24.279 1.00 0.00 H ATOM 1443 HB3 HIS A 96 17.815 11.481 23.185 1.00 0.00 H ATOM 1444 HD2 HIS A 96 20.393 13.644 21.712 1.00 0.00 H ATOM 1445 HE1 HIS A 96 21.272 9.795 20.106 1.00 0.00 H ATOM 1446 H HIS A 96 20.854 12.986 24.403 1.00 0.00 H ATOM 1447 N ARG A 97 18.070 13.230 26.348 1.00 15.68 N ATOM 1448 CA ARG A 97 17.070 13.403 27.391 1.00 16.08 C ATOM 1449 C ARG A 97 16.577 14.850 27.366 1.00 15.48 C ATOM 1450 O ARG A 97 15.396 15.106 27.534 1.00 17.60 O ATOM 1451 CB ARG A 97 17.636 13.054 28.776 1.00 16.82 C ATOM 1452 CG ARG A 97 16.707 13.373 29.961 1.00 18.31 C ATOM 1453 CD ARG A 97 15.298 12.792 29.815 1.00 17.28 C ATOM 1454 NE ARG A 97 15.280 11.341 29.698 1.00 17.48 N ATOM 1455 CZ ARG A 97 14.188 10.626 29.435 1.00 17.40 C ATOM 1456 NH1 ARG A 97 13.020 11.231 29.256 1.00 19.04 N ATOM 1457 NH2 ARG A 97 14.262 9.304 29.356 1.00 18.57 N ATOM 1458 HA ARG A 97 16.240 12.723 27.200 1.00 0.00 H ATOM 1459 HB2 ARG A 97 17.851 11.986 28.794 1.00 0.00 H ATOM 1460 HB3 ARG A 97 18.562 13.612 28.913 1.00 0.00 H ATOM 1461 HG2 ARG A 97 17.154 12.967 30.868 1.00 0.00 H ATOM 1462 HG3 ARG A 97 16.625 14.456 30.052 1.00 0.00 H ATOM 1463 HD2 ARG A 97 14.840 13.217 28.922 1.00 0.00 H ATOM 1464 HD3 ARG A 97 14.715 13.076 30.691 1.00 0.00 H ATOM 1465 HE ARG A 97 16.177 10.831 29.828 1.00 0.00 H ATOM 1466 HH12 ARG A 97 12.169 10.669 29.051 1.00 0.00 H ATOM 1467 HH11 ARG A 97 12.956 12.267 29.321 1.00 0.00 H ATOM 1468 HH22 ARG A 97 13.408 8.747 29.151 1.00 0.00 H ATOM 1469 HH21 ARG A 97 15.174 8.825 29.500 1.00 0.00 H ATOM 1470 H ARG A 97 19.055 13.000 26.590 1.00 0.00 H ATOM 1471 N LYS A 98 17.478 15.803 27.150 1.00 16.71 N ATOM 1472 CA LYS A 98 17.072 17.217 27.106 1.00 17.04 C ATOM 1473 C LYS A 98 16.138 17.469 25.929 1.00 16.59 C ATOM 1474 O LYS A 98 15.142 18.166 26.053 1.00 16.96 O ATOM 1475 CB LYS A 98 18.292 18.144 26.993 1.00 19.47 C ATOM 1476 CG LYS A 98 17.926 19.638 26.890 1.00 21.79 C ATOM 1477 CD LYS A 98 19.159 20.529 27.060 1.00 24.57 C ATOM 1478 CE LYS A 98 18.751 21.991 27.079 1.00 27.10 C ATOM 1479 NZ LYS A 98 19.875 22.885 27.477 1.00 29.91 N ATOM 1480 HA LYS A 98 16.550 17.436 28.038 1.00 0.00 H ATOM 1481 HB2 LYS A 98 18.916 18.002 27.876 1.00 0.00 H ATOM 1482 HB3 LYS A 98 18.856 17.865 26.103 1.00 0.00 H ATOM 1483 HG2 LYS A 98 17.483 19.828 25.912 1.00 0.00 H ATOM 1484 HG3 LYS A 98 17.203 19.881 27.669 1.00 0.00 H ATOM 1485 HD2 LYS A 98 19.656 20.281 27.998 1.00 0.00 H ATOM 1486 HD3 LYS A 98 19.845 20.357 26.231 1.00 0.00 H ATOM 1487 HE2 LYS A 98 17.933 22.118 27.788 1.00 0.00 H ATOM 1488 HE3 LYS A 98 18.413 22.274 26.082 1.00 0.00 H ATOM 1489 HZ1 LYS A 98 20.200 22.628 28.431 1.00 0.00 H ATOM 1490 HZ2 LYS A 98 20.658 22.777 26.802 1.00 0.00 H ATOM 1491 HZ3 LYS A 98 19.548 23.872 27.475 1.00 0.00 H ATOM 1492 H LYS A 98 18.477 15.548 27.011 1.00 0.00 H ATOM 1493 N ILE A 99 16.475 16.887 24.786 1.00 16.83 N ATOM 1494 CA ILE A 99 15.643 17.046 23.604 1.00 17.02 C ATOM 1495 C ILE A 99 14.248 16.502 23.908 1.00 17.05 C ATOM 1496 O ILE A 99 13.252 17.144 23.601 1.00 17.31 O ATOM 1497 CB ILE A 99 16.272 16.323 22.389 1.00 15.14 C ATOM 1498 CG1 ILE A 99 17.588 17.017 22.022 1.00 17.15 C ATOM 1499 CG2 ILE A 99 15.306 16.336 21.191 1.00 16.87 C ATOM 1500 CD1 ILE A 99 18.383 16.352 20.915 1.00 18.20 C ATOM 1501 HA ILE A 99 15.569 18.103 23.347 1.00 0.00 H ATOM 1502 HB ILE A 99 16.468 15.283 22.650 1.00 0.00 H ATOM 1503 HG12 ILE A 99 17.356 18.034 21.707 1.00 0.00 H ATOM 1504 HG13 ILE A 99 18.213 17.048 22.914 1.00 0.00 H ATOM 1505 HD11 ILE A 99 18.641 15.336 21.214 1.00 0.00 H ATOM 1506 HD12 ILE A 99 17.783 16.323 20.005 1.00 0.00 H ATOM 1507 HD13 ILE A 99 19.295 16.921 20.732 1.00 0.00 H ATOM 1508 HG21 ILE A 99 14.382 15.827 21.466 1.00 0.00 H ATOM 1509 HG22 ILE A 99 15.086 17.367 20.914 1.00 0.00 H ATOM 1510 HG23 ILE A 99 15.768 15.823 20.348 1.00 0.00 H ATOM 1511 H ILE A 99 17.341 16.313 24.735 1.00 0.00 H ATOM 1512 N TYR A 100 14.175 15.330 24.537 1.00 17.31 N ATOM 1513 CA TYR A 100 12.879 14.776 24.867 1.00 16.51 C ATOM 1514 C TYR A 100 12.108 15.730 25.751 1.00 16.16 C ATOM 1515 O TYR A 100 10.935 15.978 25.536 1.00 14.85 O ATOM 1516 CB TYR A 100 13.020 13.414 25.558 1.00 16.70 C ATOM 1517 CG TYR A 100 12.808 12.278 24.593 1.00 17.70 C ATOM 1518 CD1 TYR A 100 13.664 12.101 23.512 1.00 17.19 C ATOM 1519 CD2 TYR A 100 11.696 11.448 24.699 1.00 16.50 C ATOM 1520 CE1 TYR A 100 13.416 11.130 22.553 1.00 18.88 C ATOM 1521 CE2 TYR A 100 11.436 10.475 23.749 1.00 18.96 C ATOM 1522 CZ TYR A 100 12.297 10.322 22.675 1.00 18.50 C ATOM 1523 OH TYR A 100 12.031 9.367 21.720 1.00 19.52 O ATOM 1524 HA TYR A 100 12.329 14.631 23.937 1.00 0.00 H ATOM 1525 HB3 TYR A 100 12.281 13.344 26.356 1.00 0.00 H ATOM 1526 HB2 TYR A 100 14.020 13.335 25.984 1.00 0.00 H ATOM 1527 HD2 TYR A 100 11.018 11.566 25.544 1.00 0.00 H ATOM 1528 HE2 TYR A 100 10.560 9.834 23.846 1.00 0.00 H ATOM 1529 HE1 TYR A 100 14.096 11.004 21.710 1.00 0.00 H ATOM 1530 HD1 TYR A 100 14.545 12.736 23.416 1.00 0.00 H ATOM 1531 HH TYR A 100 12.738 9.389 21.027 1.00 0.00 H ATOM 1532 H TYR A 100 15.043 14.816 24.789 1.00 0.00 H ATOM 1533 N THR A 101 12.782 16.262 26.763 1.00 17.58 N ATOM 1534 CA THR A 101 12.139 17.185 27.678 1.00 17.64 C ATOM 1535 C THR A 101 11.571 18.397 26.939 1.00 18.12 C ATOM 1536 O THR A 101 10.449 18.790 27.169 1.00 18.53 O ATOM 1537 CB THR A 101 13.129 17.645 28.753 1.00 19.13 C ATOM 1538 OG1 THR A 101 13.585 16.497 29.488 1.00 19.14 O ATOM 1539 CG2 THR A 101 12.464 18.628 29.701 1.00 19.50 C ATOM 1540 HA THR A 101 11.311 16.659 28.154 1.00 0.00 H ATOM 1541 HB THR A 101 13.973 18.142 28.275 1.00 0.00 H ATOM 1542 HG1 THR A 101 14.226 16.786 30.185 1.00 0.00 H ATOM 1543 HG23 THR A 101 12.120 19.496 29.139 1.00 0.00 H ATOM 1544 HG21 THR A 101 11.614 18.146 30.184 1.00 0.00 H ATOM 1545 HG22 THR A 101 13.182 18.944 30.457 1.00 0.00 H ATOM 1546 H THR A 101 13.783 16.014 26.901 1.00 0.00 H ATOM 1547 N MET A 102 12.361 18.980 26.046 1.00 19.38 N ATOM 1548 CA MET A 102 11.899 20.141 25.292 1.00 19.12 C ATOM 1549 C MET A 102 10.698 19.776 24.417 1.00 18.57 C ATOM 1550 O MET A 102 9.772 20.556 24.273 1.00 18.89 O ATOM 1551 CB MET A 102 13.037 20.703 24.428 1.00 20.18 C ATOM 1552 CG MET A 102 14.254 21.145 25.237 1.00 20.87 C ATOM 1553 SD MET A 102 15.570 21.973 24.308 1.00 22.32 S ATOM 1554 CE MET A 102 16.318 20.564 23.478 1.00 20.74 C ATOM 1555 HA MET A 102 11.586 20.907 26.001 1.00 0.00 H ATOM 1556 HB2 MET A 102 13.351 19.931 23.726 1.00 0.00 H ATOM 1557 HB3 MET A 102 12.659 21.563 23.875 1.00 0.00 H ATOM 1558 HG2 MET A 102 14.683 20.259 25.705 1.00 0.00 H ATOM 1559 HG3 MET A 102 13.909 21.832 26.010 1.00 0.00 H ATOM 1560 HE1 MET A 102 16.683 19.857 24.223 1.00 0.00 H ATOM 1561 HE2 MET A 102 15.573 20.078 22.848 1.00 0.00 H ATOM 1562 HE3 MET A 102 17.150 20.906 22.862 1.00 0.00 H ATOM 1563 H MET A 102 13.318 18.606 25.882 1.00 0.00 H ATOM 1564 N ILE A 103 10.714 18.577 23.847 1.00 18.00 N ATOM 1565 CA ILE A 103 9.612 18.138 22.994 1.00 17.95 C ATOM 1566 C ILE A 103 8.322 17.870 23.773 1.00 19.03 C ATOM 1567 O ILE A 103 7.231 18.183 23.300 1.00 17.83 O ATOM 1568 CB ILE A 103 9.991 16.862 22.202 1.00 19.11 C ATOM 1569 CG1 ILE A 103 11.136 17.173 21.232 1.00 18.66 C ATOM 1570 CG2 ILE A 103 8.774 16.328 21.443 1.00 20.10 C ATOM 1571 CD1 ILE A 103 11.650 15.963 20.472 1.00 18.63 C ATOM 1572 HA ILE A 103 9.427 18.964 22.307 1.00 0.00 H ATOM 1573 HB ILE A 103 10.323 16.094 22.901 1.00 0.00 H ATOM 1574 HG12 ILE A 103 10.782 17.907 20.508 1.00 0.00 H ATOM 1575 HG13 ILE A 103 11.963 17.596 21.802 1.00 0.00 H ATOM 1576 HD11 ILE A 103 12.021 15.221 21.180 1.00 0.00 H ATOM 1577 HD12 ILE A 103 10.839 15.533 19.885 1.00 0.00 H ATOM 1578 HD13 ILE A 103 12.458 16.269 19.808 1.00 0.00 H ATOM 1579 HG21 ILE A 103 7.983 16.086 22.152 1.00 0.00 H ATOM 1580 HG22 ILE A 103 8.419 17.088 20.747 1.00 0.00 H ATOM 1581 HG23 ILE A 103 9.056 15.431 20.891 1.00 0.00 H ATOM 1582 H ILE A 103 11.521 17.942 24.010 1.00 0.00 H ATOM 1583 N TYR A 104 8.459 17.302 24.974 1.00 18.16 N ATOM 1584 CA TYR A 104 7.304 16.984 25.818 1.00 18.37 C ATOM 1585 C TYR A 104 6.392 18.180 26.140 1.00 17.82 C ATOM 1586 O TYR A 104 5.194 18.029 26.278 1.00 17.43 O ATOM 1587 CB TYR A 104 7.774 16.320 27.132 1.00 18.09 C ATOM 1588 CG TYR A 104 8.058 14.830 27.025 1.00 20.21 C ATOM 1589 CD1 TYR A 104 7.100 13.951 26.498 1.00 20.08 C ATOM 1590 CD2 TYR A 104 9.264 14.283 27.484 1.00 20.20 C ATOM 1591 CE1 TYR A 104 7.335 12.572 26.434 1.00 20.53 C ATOM 1592 CE2 TYR A 104 9.502 12.897 27.422 1.00 18.88 C ATOM 1593 CZ TYR A 104 8.527 12.053 26.897 1.00 18.55 C ATOM 1594 OH TYR A 104 8.717 10.690 26.837 1.00 19.18 O ATOM 1595 HA TYR A 104 6.696 16.297 25.229 1.00 0.00 H ATOM 1596 HB3 TYR A 104 6.997 16.465 27.883 1.00 0.00 H ATOM 1597 HB2 TYR A 104 8.688 16.818 27.456 1.00 0.00 H ATOM 1598 HD2 TYR A 104 10.029 14.941 27.895 1.00 0.00 H ATOM 1599 HE2 TYR A 104 10.445 12.487 27.783 1.00 0.00 H ATOM 1600 HE1 TYR A 104 6.576 11.909 26.019 1.00 0.00 H ATOM 1601 HD1 TYR A 104 6.154 14.349 26.131 1.00 0.00 H ATOM 1602 HH TYR A 104 8.856 10.337 27.751 1.00 0.00 H ATOM 1603 H TYR A 104 9.414 17.079 25.321 1.00 0.00 H ATOM 1604 N ARG A 105 6.978 19.365 26.260 1.00 20.20 N ATOM 1605 CA ARG A 105 6.227 20.584 26.576 1.00 23.49 C ATOM 1606 C ARG A 105 5.247 20.942 25.448 1.00 24.24 C ATOM 1607 O ARG A 105 4.230 21.601 25.673 1.00 24.75 O ATOM 1608 CB ARG A 105 7.224 21.735 26.788 1.00 25.99 C ATOM 1609 CG ARG A 105 6.638 23.067 27.246 1.00 30.78 C ATOM 1610 CD ARG A 105 7.733 24.147 27.342 1.00 32.74 C ATOM 1611 NE ARG A 105 8.193 24.639 26.036 1.00 34.98 N ATOM 1612 CZ ARG A 105 7.704 25.720 25.431 1.00 35.74 C ATOM 1613 NH1 ARG A 105 6.737 26.414 26.027 1.00 36.47 N ATOM 1614 NH2 ARG A 105 8.187 26.113 24.248 1.00 37.99 N ATOM 1615 HA ARG A 105 5.644 20.416 27.481 1.00 0.00 H ATOM 1616 HB2 ARG A 105 7.946 21.414 27.539 1.00 0.00 H ATOM 1617 HB3 ARG A 105 7.738 21.907 25.842 1.00 0.00 H ATOM 1618 HG2 ARG A 105 5.881 23.389 26.531 1.00 0.00 H ATOM 1619 HG3 ARG A 105 6.178 22.937 28.226 1.00 0.00 H ATOM 1620 HD2 ARG A 105 8.587 23.725 27.872 1.00 0.00 H ATOM 1621 HD3 ARG A 105 7.337 24.990 27.908 1.00 0.00 H ATOM 1622 HE ARG A 105 8.948 24.110 25.554 1.00 0.00 H ATOM 1623 HH12 ARG A 105 6.345 27.260 25.567 1.00 0.00 H ATOM 1624 HH11 ARG A 105 6.373 26.110 26.953 1.00 0.00 H ATOM 1625 HH22 ARG A 105 7.799 26.958 23.783 1.00 0.00 H ATOM 1626 HH21 ARG A 105 8.951 25.573 23.793 1.00 0.00 H ATOM 1627 H ARG A 105 8.007 19.431 26.125 1.00 0.00 H ATOM 1628 N ASN A 106 5.568 20.486 24.240 1.00 22.76 N ATOM 1629 CA ASN A 106 4.761 20.768 23.056 1.00 22.91 C ATOM 1630 C ASN A 106 3.803 19.679 22.610 1.00 22.88 C ATOM 1631 O ASN A 106 3.489 19.550 21.420 1.00 22.79 O ATOM 1632 CB ASN A 106 5.683 21.132 21.908 1.00 21.82 C ATOM 1633 CG ASN A 106 6.459 22.375 22.199 1.00 22.29 C ATOM 1634 OD1 ASN A 106 5.906 23.456 22.225 1.00 25.20 O ATOM 1635 ND2 ASN A 106 7.745 22.221 22.463 1.00 22.32 N ATOM 1636 HA ASN A 106 4.111 21.592 23.351 1.00 0.00 H ATOM 1637 HB2 ASN A 106 6.380 20.311 21.739 1.00 0.00 H ATOM 1638 HB3 ASN A 106 5.085 21.290 21.010 1.00 0.00 H ATOM 1639 HD22 ASN A 106 8.173 21.274 22.428 1.00 0.00 H ATOM 1640 HD21 ASN A 106 8.329 23.047 22.706 1.00 0.00 H ATOM 1641 H ASN A 106 6.426 19.907 24.135 1.00 0.00 H ATOM 1642 N LEU A 107 3.312 18.897 23.555 1.00 22.44 N ATOM 1643 CA LEU A 107 2.382 17.845 23.188 1.00 24.58 C ATOM 1644 C LEU A 107 1.641 17.320 24.395 1.00 25.98 C ATOM 1645 O LEU A 107 1.894 17.719 25.520 1.00 26.05 O ATOM 1646 CB LEU A 107 3.141 16.709 22.501 1.00 24.18 C ATOM 1647 CG LEU A 107 4.302 16.091 23.290 1.00 23.86 C ATOM 1648 CD1 LEU A 107 3.761 15.182 24.383 1.00 24.69 C ATOM 1649 CD2 LEU A 107 5.205 15.297 22.359 1.00 23.73 C ATOM 1650 HA LEU A 107 1.645 18.262 22.501 1.00 0.00 H ATOM 1651 HB2 LEU A 107 2.426 15.915 22.285 1.00 0.00 H ATOM 1652 HB3 LEU A 107 3.544 17.097 21.566 1.00 0.00 H ATOM 1653 HG LEU A 107 4.882 16.893 23.746 1.00 0.00 H ATOM 1654 HD21 LEU A 107 4.629 14.501 21.888 1.00 0.00 H ATOM 1655 HD22 LEU A 107 5.606 15.959 21.592 1.00 0.00 H ATOM 1656 HD23 LEU A 107 6.025 14.864 22.932 1.00 0.00 H ATOM 1657 HD11 LEU A 107 3.135 15.763 25.060 1.00 0.00 H ATOM 1658 HD12 LEU A 107 3.169 14.386 23.932 1.00 0.00 H ATOM 1659 HD13 LEU A 107 4.593 14.748 24.938 1.00 0.00 H ATOM 1660 H LEU A 107 3.588 19.033 24.548 1.00 0.00 H ATOM 1661 N VAL A 108 0.715 16.416 24.125 1.00 27.65 N ATOM 1662 CA VAL A 108 -0.090 15.791 25.149 1.00 28.94 C ATOM 1663 C VAL A 108 -0.055 14.304 24.850 1.00 29.73 C ATOM 1664 O VAL A 108 -0.211 13.902 23.711 1.00 29.38 O ATOM 1665 CB VAL A 108 -1.533 16.323 25.091 1.00 29.77 C ATOM 1666 CG1 VAL A 108 -2.439 15.482 25.953 1.00 31.26 C ATOM 1667 CG2 VAL A 108 -1.557 17.780 25.564 1.00 30.20 C ATOM 1668 HA VAL A 108 0.289 16.005 26.149 1.00 0.00 H ATOM 1669 HB VAL A 108 -1.892 16.270 24.063 1.00 0.00 H ATOM 1670 HG11 VAL A 108 -2.425 14.452 25.596 1.00 0.00 H ATOM 1671 HG12 VAL A 108 -2.090 15.515 26.985 1.00 0.00 H ATOM 1672 HG13 VAL A 108 -3.455 15.873 25.900 1.00 0.00 H ATOM 1673 HG21 VAL A 108 -1.189 17.834 26.589 1.00 0.00 H ATOM 1674 HG22 VAL A 108 -0.920 18.382 24.916 1.00 0.00 H ATOM 1675 HG23 VAL A 108 -2.579 18.157 25.523 1.00 0.00 H ATOM 1676 H VAL A 108 0.559 16.143 23.134 1.00 0.00 H ATOM 1677 N VAL A 109 0.194 13.494 25.870 1.00 30.04 N ATOM 1678 CA VAL A 109 0.251 12.050 25.689 1.00 32.59 C ATOM 1679 C VAL A 109 -1.179 11.560 25.478 1.00 34.82 C ATOM 1680 O VAL A 109 -2.089 12.023 26.132 1.00 34.93 O ATOM 1681 CB VAL A 109 0.902 11.386 26.922 1.00 32.48 C ATOM 1682 CG1 VAL A 109 0.902 9.878 26.780 1.00 31.97 C ATOM 1683 CG2 VAL A 109 2.329 11.906 27.067 1.00 32.71 C ATOM 1684 HA VAL A 109 0.861 11.785 24.826 1.00 0.00 H ATOM 1685 HB VAL A 109 0.327 11.637 27.813 1.00 0.00 H ATOM 1686 HG11 VAL A 109 -0.124 9.523 26.689 1.00 0.00 H ATOM 1687 HG12 VAL A 109 1.465 9.598 25.890 1.00 0.00 H ATOM 1688 HG13 VAL A 109 1.365 9.431 27.660 1.00 0.00 H ATOM 1689 HG21 VAL A 109 2.898 11.658 26.171 1.00 0.00 H ATOM 1690 HG22 VAL A 109 2.309 12.988 27.198 1.00 0.00 H ATOM 1691 HG23 VAL A 109 2.797 11.442 27.936 1.00 0.00 H ATOM 1692 H VAL A 109 0.351 13.897 26.816 1.00 0.00 H ATOM 1693 N VAL A 110 -1.373 10.638 24.542 1.00 37.90 N ATOM 1694 CA VAL A 110 -2.710 10.125 24.252 1.00 41.71 C ATOM 1695 C VAL A 110 -3.160 9.074 25.268 1.00 44.40 C ATOM 1696 O VAL A 110 -2.359 8.252 25.713 1.00 44.29 O ATOM 1697 CB VAL A 110 -2.779 9.535 22.826 1.00 41.67 C ATOM 1698 CG1 VAL A 110 -4.149 8.930 22.575 1.00 43.23 C ATOM 1699 CG2 VAL A 110 -2.521 10.623 21.816 1.00 41.53 C ATOM 1700 HA VAL A 110 -3.391 10.973 24.323 1.00 0.00 H ATOM 1701 HB VAL A 110 -2.022 8.757 22.729 1.00 0.00 H ATOM 1702 HG11 VAL A 110 -4.333 8.137 23.299 1.00 0.00 H ATOM 1703 HG12 VAL A 110 -4.911 9.703 22.680 1.00 0.00 H ATOM 1704 HG13 VAL A 110 -4.184 8.518 21.566 1.00 0.00 H ATOM 1705 HG21 VAL A 110 -3.275 11.403 21.923 1.00 0.00 H ATOM 1706 HG22 VAL A 110 -1.531 11.047 21.986 1.00 0.00 H ATOM 1707 HG23 VAL A 110 -2.570 10.203 20.811 1.00 0.00 H ATOM 1708 H VAL A 110 -0.559 10.275 24.006 1.00 0.00 H ATOM 1709 N ASN A 111 -4.446 9.123 25.628 1.00 47.52 N ATOM 1710 CA ASN A 111 -5.053 8.209 26.603 1.00 50.52 C ATOM 1711 C ASN A 111 -4.066 7.655 27.623 1.00 51.74 C ATOM 1712 O ASN A 111 -3.536 6.558 27.441 1.00 53.69 O ATOM 1713 CB ASN A 111 -5.749 7.051 25.886 1.00 52.31 C ATOM 1714 CG ASN A 111 -7.096 7.453 25.308 1.00 55.00 C ATOM 1715 OD1 ASN A 111 -8.146 6.972 25.756 1.00 57.11 O ATOM 1716 ND2 ASN A 111 -7.078 8.345 24.314 1.00 55.62 N ATOM 1717 HA ASN A 111 -5.778 8.805 27.157 1.00 0.00 H ATOM 1718 HB2 ASN A 111 -5.108 6.706 25.074 1.00 0.00 H ATOM 1719 HB3 ASN A 111 -5.901 6.239 26.597 1.00 0.00 H ATOM 1720 HD22 ASN A 111 -6.172 8.722 23.970 1.00 0.00 H ATOM 1721 HD21 ASN A 111 -7.970 8.663 23.884 1.00 0.00 H ATOM 1722 H ASN A 111 -5.050 9.849 25.193 1.00 0.00 H TER 1723 ASN A 111 HETATM 1724 O HOH 1 13.698 8.240 19.627 1.00 18.24 O HETATM 1725 O HOH 2 12.244 14.148 29.592 1.00 17.14 O HETATM 1726 O HOH 3 12.009 -0.460 28.206 1.00 29.43 O HETATM 1727 O HOH 4 20.489 11.785 27.346 1.00 18.47 O HETATM 1728 O HOH 5 15.434 12.500 10.780 1.00 19.23 O HETATM 1729 O HOH 6 26.907 28.869 12.817 1.00 26.79 O HETATM 1730 O HOH 7 -0.707 23.620 13.769 1.00 27.77 O HETATM 1731 O HOH 8 19.874 18.429 23.705 1.00 29.30 O HETATM 1732 O HOH 9 17.511 10.024 31.047 1.00 28.29 O HETATM 1733 O HOH 10 29.311 25.210 18.511 1.00 31.75 O HETATM 1734 O HOH 11 21.804 20.621 24.694 1.00 27.70 O HETATM 1735 O HOH 12 11.410 30.057 11.452 1.00 30.61 O HETATM 1736 O HOH 13 15.543 17.327 31.169 1.00 26.14 O HETATM 1737 O HOH 14 9.484 8.460 5.333 1.00 25.04 O HETATM 1738 O HOH 15 2.796 23.092 8.317 1.00 27.41 O HETATM 1739 O HOH 16 10.299 23.074 25.425 1.00 26.13 O HETATM 1740 O HOH 17 15.871 29.405 10.261 1.00 28.54 O HETATM 1741 O HOH 18 22.951 8.026 21.319 1.00 33.70 O HETATM 1742 O HOH 19 3.773 22.879 19.912 1.00 27.77 O HETATM 1743 O HOH 20 20.163 15.389 27.956 1.00 27.23 O HETATM 1744 O HOH 21 21.161 30.573 17.949 1.00 32.96 O HETATM 1745 O HOH 22 -4.041 10.792 13.501 1.00 40.91 O HETATM 1746 O HOH 23 -2.158 16.948 16.827 1.00 32.54 O HETATM 1747 O HOH 24 26.935 19.519 14.862 1.00 44.22 O HETATM 1748 O HOH 25 22.248 25.389 13.773 1.00 30.10 O HETATM 1749 O HOH 26 24.485 20.905 14.142 1.00 35.57 O HETATM 1750 O HOH 27 -3.045 20.752 11.142 1.00 39.12 O HETATM 1751 O HOH 28 18.461 30.247 14.375 1.00 30.91 O HETATM 1752 O HOH 29 23.360 29.912 21.718 1.00 31.88 O HETATM 1753 O HOH 30 19.471 9.634 28.809 1.00 25.99 O HETATM 1754 O HOH 31 21.375 18.095 28.966 1.00 36.95 O HETATM 1755 O HOH 32 30.795 24.142 21.014 1.00 39.35 O HETATM 1756 O HOH 33 1.569 5.582 24.175 1.00 44.26 O HETATM 1757 O HOH 34 14.903 3.044 14.350 1.00 35.31 O HETATM 1758 O HOH 35 7.419 10.185 5.923 1.00 26.59 O HETATM 1759 O HOH 36 -2.324 18.213 21.821 1.00 32.31 O HETATM 1760 O HOH 37 4.532 6.001 -0.712 1.00 24.29 O HETATM 1761 O HOH 38 9.494 29.607 23.815 1.00 35.03 O HETATM 1762 O HOH 39 10.121 23.390 6.799 1.00 32.96 O HETATM 1763 O HOH 40 4.721 25.956 28.421 1.00 43.14 O HETATM 1764 O HOH 41 24.152 23.323 6.607 1.00 38.25 O HETATM 1765 O HOH 42 11.514 2.010 20.979 1.00 43.92 O HETATM 1766 O HOH 43 24.429 10.106 20.010 1.00 31.74 O HETATM 1767 O HOH 44 -0.762 21.956 11.523 1.00 27.30 O HETATM 1768 O HOH 45 -2.208 20.807 17.661 1.00 31.37 O HETATM 1769 O HOH 46 30.707 23.639 7.579 1.00 42.32 O HETATM 1770 O HOH 47 27.351 26.828 21.794 1.00 31.36 O HETATM 1771 O HOH 48 5.909 4.519 15.262 1.00 28.54 O HETATM 1772 O HOH 49 30.312 21.302 21.226 1.00 45.57 O HETATM 1773 O HOH 50 13.770 30.995 8.916 1.00 53.26 O HETATM 1774 O HOH 51 15.433 0.201 26.733 1.00 37.99 O HETATM 1775 O HOH 52 19.490 10.415 12.982 1.00 31.29 O HETATM 1776 O HOH 53 17.031 2.037 24.257 1.00 36.51 O HETATM 1777 O HOH 54 5.464 2.239 25.464 1.00 39.95 O HETATM 1778 O HOH 55 21.618 28.687 12.660 1.00 35.10 O HETATM 1779 O HOH 56 34.232 23.170 14.258 1.00 38.04 O HETATM 1780 O HOH 57 18.327 5.693 29.632 1.00 40.41 O HETATM 1781 O HOH 58 16.607 28.213 7.843 1.00 33.72 O HETATM 1782 O HOH 59 2.446 17.551 5.330 1.00 53.48 O HETATM 1783 O HOH 60 -1.965 5.803 1.983 1.00 29.89 O HETATM 1784 O HOH 61 0.298 23.222 9.148 1.00 31.04 O HETATM 1785 O HOH 62 17.757 30.603 11.778 1.00 36.08 O HETATM 1786 O HOH 63 21.167 31.824 15.513 1.00 54.19 O HETATM 1787 O HOH 64 22.966 26.784 11.658 1.00 46.56 O HETATM 1788 O HOH 65 2.559 22.352 5.769 1.00 29.70 O HETATM 1789 O HOH 66 12.613 2.204 14.530 1.00 50.88 O HETATM 1790 O HOH 67 21.515 20.988 7.706 1.00 45.71 O HETATM 1791 O HOH 68 25.768 26.241 9.601 1.00 38.53 O HETATM 1792 O HOH 69 -0.524 6.879 24.698 1.00 52.12 O HETATM 1793 O HOH 70 29.799 25.327 23.118 1.00 41.08 O HETATM 1794 O HOH 71 24.575 12.443 25.989 1.00 36.54 O HETATM 1795 O HOH 72 22.242 13.801 28.221 1.00 51.56 O HETATM 1796 O HOH 73 4.246 16.067 28.079 1.00 32.27 O HETATM 1797 O HOH 74 20.030 29.676 10.683 1.00 33.11 O HETATM 1798 O HOH 75 3.222 3.746 25.820 1.00 53.30 O HETATM 1799 O HOH 76 -3.133 22.322 15.267 1.00 46.30 O HETATM 1800 O HOH 77 3.019 10.276 5.413 1.00 38.67 O HETATM 1801 O HOH 78 28.707 19.362 8.367 1.00 38.34 O HETATM 1802 O HOH 79 -4.576 20.671 13.489 1.00 43.72 O HETATM 1803 O HOH 80 2.829 10.672 8.196 1.00 43.69 O HETATM 1804 O HOH 81 -3.663 7.834 10.281 1.00 48.86 O HETATM 1805 O HOH 82 1.759 14.884 28.668 1.00 47.41 O HETATM 1806 O HOH 83 22.374 8.843 29.291 1.00 46.34 O HETATM 1807 O HOH 84 7.720 0.036 15.163 1.00 55.98 O HETATM 1808 O HOH 85 22.631 27.042 7.303 1.00 56.19 O HETATM 1809 O HOH 86 28.535 20.268 23.307 1.00 41.83 O HETATM 1810 O HOH 87 -0.249 17.146 5.803 1.00 57.66 O HETATM 1811 O HOH 88 8.937 12.128 4.644 1.00 43.62 O HETATM 1812 O HOH 89 6.671 26.453 9.554 1.00 40.65 O HETATM 1813 O HOH 90 16.302 1.789 21.566 1.00 53.74 O HETATM 1814 O HOH 91 27.840 10.383 13.369 1.00 48.49 O HETATM 1815 O HOH 92 27.276 17.875 22.980 1.00 38.99 O HETATM 1816 O HOH 93 10.160 14.461 5.845 1.00 40.03 O HETATM 1817 O HOH 94 20.690 26.614 24.955 1.00 47.62 O HETATM 1818 O HOH 95 5.814 1.816 16.532 1.00 52.96 O HETATM 1819 O HOH 96 28.342 23.472 24.763 1.00 50.18 O HETATM 1820 O HOH 97 13.694 31.731 19.943 1.00 38.76 O HETATM 1821 O HOH 98 20.557 28.354 8.078 1.00 52.03 O HETATM 1822 O HOH 99 24.466 10.677 13.780 1.00 41.41 O HETATM 1823 O HOH 100 2.213 18.948 27.907 1.00 40.35 O HETATM 1824 O HOH 101 24.292 23.365 24.315 1.00 43.73 O HETATM 1825 O HOH 102 3.027 2.774 20.472 1.00 37.38 O HETATM 1826 O HOH 103 25.090 26.019 23.061 1.00 45.21 O HETATM 1827 O HOH 104 11.085 -2.450 25.826 1.00 51.27 O HETATM 1828 O HOH 105 34.571 20.960 12.721 1.00 51.62 O HETATM 1829 O HOH 106 -0.600 7.496 14.639 1.00 51.63 O HETATM 1830 O HOH 107 9.672 26.793 9.705 1.00 43.38 O HETATM 1831 O HOH 108 22.580 32.247 19.865 1.00 56.17 O HETATM 1832 O HOH 109 19.467 2.619 18.770 1.00 45.65 O HETATM 1833 O HOH 110 26.084 21.450 25.303 1.00 53.93 O HETATM 1834 O HOH 111 -3.387 -0.508 5.388 1.00 33.15 O HETATM 1835 O HOH 112 24.808 6.299 23.468 1.00 50.29 O HETATM 1836 O HOH 113 3.491 20.508 3.797 1.00 57.79 O HETATM 1837 O HOH 114 25.662 13.788 14.928 1.00 54.19 O HETATM 1838 O HOH 115 11.777 18.640 3.177 1.00 48.88 O HETATM 1839 O HOH 116 -2.890 17.469 6.820 1.00 54.55 O HETATM 1840 O HOH 117 11.953 15.526 4.336 1.00 58.25 O HETATM 1841 O HOH 118 -5.143 -0.061 8.568 1.00 50.81 O HETATM 1842 O HOH 119 8.517 -2.742 27.798 1.00 53.94 O HETATM 1843 O HOH 120 26.770 15.484 25.235 1.00 57.36 O HETATM 1844 O HOH 121 28.652 11.434 15.842 1.00 56.89 O HETATM 1845 O HOH 122 22.046 29.148 5.940 1.00 46.14 O HETATM 1846 O HOH 123 7.003 17.711 2.308 1.00 55.50 O HETATM 1847 O HOH 124 -0.973 26.185 12.739 1.00 46.52 O HETATM 1848 O HOH 125 2.658 4.614 14.812 1.00 43.67 O HETATM 1849 O HOH 126 32.725 14.888 20.692 1.00 53.67 O HETATM 1850 O HOH 127 -2.121 14.763 1.575 1.00 59.69 O HETATM 1851 O HOH 128 15.164 31.210 22.645 1.00 55.69 O HETATM 1852 O HOH 129 22.056 25.948 27.069 1.00 58.87 O HETATM 1853 CL1 UNN A 130 15.076 17.545 17.479 1.00 -0.08 CL HETATM 1854 C1 UNN A 130 16.113 16.287 16.882 1.00 0.03 C HETATM 1855 C2 UNN A 130 17.494 16.420 17.074 1.00 -0.05 C HETATM 1856 C3 UNN A 130 18.348 15.406 16.641 1.00 -0.06 C HETATM 1857 C6 UNN A 130 17.809 14.264 16.017 1.00 -0.02 C HETATM 1858 C5 UNN A 130 16.426 14.143 15.817 1.00 -0.06 C HETATM 1859 C4 UNN A 130 15.572 15.156 16.251 1.00 -0.05 C HETATM 1860 H3 UNN A 130 14.502 15.071 16.103 1.00 0.06 H HETATM 1861 H4 UNN A 130 16.022 13.265 15.326 1.00 0.06 H HETATM 1862 C7 UNN A 130 18.683 13.144 15.601 1.00 0.09 C HETATM 1863 N1 UNN A 130 19.581 13.518 14.485 1.00 -0.25 N HETATM 1864 C8 UNN A 130 19.022 14.339 13.361 1.00 0.07 C HETATM 1865 C9 UNN A 130 18.798 13.463 12.133 1.00 0.07 C HETATM 1866 O4 UNN A 130 17.745 12.551 12.389 1.00 -0.39 O HETATM 1867 H9 UNN A 130 17.975 12.004 13.131 1.00 0.21 H HETATM 1868 H7 UNN A 130 19.719 12.905 11.907 1.00 0.06 H HETATM 1869 H8 UNN A 130 18.533 14.097 11.274 1.00 0.06 H HETATM 1870 C10 UNN A 130 19.827 15.580 12.956 1.00 -0.03 C HETATM 1871 C23 UNN A 130 19.484 16.896 13.638 1.00 -0.06 C HETATM 1872 H22 UNN A 130 20.138 17.691 13.250 1.00 0.02 H HETATM 1873 H23 UNN A 130 19.632 16.796 14.723 1.00 0.02 H HETATM 1874 H24 UNN A 130 18.434 17.152 13.433 1.00 0.02 H HETATM 1875 H20 UNN A 130 19.688 15.724 11.874 1.00 0.03 H HETATM 1876 H21 UNN A 130 20.886 15.368 13.164 1.00 0.03 H HETATM 1877 H6 UNN A 130 18.040 14.700 13.700 1.00 0.06 H HETATM 1878 C11 UNN A 130 20.881 13.146 14.437 1.00 0.19 C HETATM 1879 O1 UNN A 130 21.618 13.495 13.527 1.00 -0.40 O HETATM 1880 C12 UNN A 130 21.467 12.236 15.576 1.00 0.06 C HETATM 1881 C13 UNN A 130 22.407 13.038 16.500 1.00 0.02 C HETATM 1882 C14 UNN A 130 23.230 12.026 17.325 1.00 0.04 C HETATM 1883 O2 UNN A 130 23.077 11.751 18.488 1.00 -0.57 O HETATM 1884 O3 UNN A 130 24.174 11.453 16.564 1.00 -0.57 O HETATM 1885 H11 UNN A 130 21.816 13.677 17.173 1.00 0.05 H HETATM 1886 H12 UNN A 130 23.080 13.665 15.897 1.00 0.05 H HETATM 1887 C15 UNN A 130 20.444 11.474 16.395 1.00 -0.02 C HETATM 1888 C16 UNN A 130 19.345 12.407 16.834 1.00 0.03 C HETATM 1889 C17 UNN A 130 18.352 11.721 17.743 1.00 -0.04 C HETATM 1890 C18 UNN A 130 17.827 10.441 17.446 1.00 -0.06 C HETATM 1891 C19 UNN A 130 16.889 9.857 18.296 1.00 -0.07 C HETATM 1892 C20 UNN A 130 16.460 10.523 19.444 1.00 -0.05 C HETATM 1893 C21 UNN A 130 16.987 11.787 19.734 1.00 0.03 C HETATM 1894 CL2 UNN A 130 16.460 12.605 21.118 1.00 -0.07 CL HETATM 1895 C22 UNN A 130 17.922 12.391 18.906 1.00 -0.05 C HETATM 1896 H19 UNN A 130 18.318 13.370 19.151 1.00 0.06 H HETATM 1897 H18 UNN A 130 15.729 10.068 20.102 1.00 0.06 H HETATM 1898 H17 UNN A 130 16.489 8.877 18.063 1.00 0.06 H HETATM 1899 H16 UNN A 130 18.154 9.914 16.557 1.00 0.06 H HETATM 1900 H15 UNN A 130 19.822 13.191 17.440 1.00 0.05 H HETATM 1901 H13 UNN A 130 20.933 11.043 17.281 1.00 0.03 H HETATM 1902 H14 UNN A 130 20.015 10.666 15.784 1.00 0.03 H HETATM 1903 H10 UNN A 130 22.082 11.476 15.071 1.00 0.06 H HETATM 1904 H5 UNN A 130 18.006 12.394 15.167 1.00 0.07 H HETATM 1905 H2 UNN A 130 19.419 15.496 16.784 1.00 0.06 H HETATM 1906 H1 UNN A 130 17.896 17.304 17.555 1.00 0.06 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1853 1854 CONECT 1854 1853 1855 1859 CONECT 1855 1854 1856 1906 CONECT 1856 1855 1857 1905 CONECT 1857 1856 1858 1862 CONECT 1858 1857 1859 1861 CONECT 1859 1854 1858 1860 CONECT 1860 1859 CONECT 1861 1858 CONECT 1862 1857 1863 1888 1904 CONECT 1863 1862 1864 1878 CONECT 1864 1863 1865 1870 1877 CONECT 1865 1864 1866 1868 1869 CONECT 1866 1865 1867 CONECT 1867 1866 CONECT 1868 1865 CONECT 1869 1865 CONECT 1870 1864 1871 1875 1876 CONECT 1871 1870 1872 1873 1874 CONECT 1872 1871 CONECT 1873 1871 CONECT 1874 1871 CONECT 1875 1870 CONECT 1876 1870 CONECT 1877 1864 CONECT 1878 1863 1879 1880 CONECT 1879 1878 CONECT 1880 1878 1881 1887 1903 CONECT 1881 1880 1882 1885 1886 CONECT 1882 1881 1883 1884 CONECT 1883 1882 CONECT 1884 1882 CONECT 1885 1881 CONECT 1886 1881 CONECT 1887 1880 1888 1901 1902 CONECT 1888 1862 1887 1889 1900 CONECT 1889 1888 1890 1895 CONECT 1890 1889 1891 1899 CONECT 1891 1890 1892 1898 CONECT 1892 1891 1893 1897 CONECT 1893 1892 1894 1895 CONECT 1894 1893 CONECT 1895 1889 1893 1896 CONECT 1896 1895 CONECT 1897 1892 CONECT 1898 1891 CONECT 1899 1890 CONECT 1900 1888 CONECT 1901 1887 CONECT 1902 1887 CONECT 1903 1880 CONECT 1904 1862 CONECT 1905 1856 CONECT 1906 1855 MASTER 0 0 0 0 0 0 0 0 1905 1 58 9 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
85aa, >1RV1_1|Chains... at 98%
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PDBbind
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PDBbind
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PDBbind
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2lzg
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PDBbind
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3jzk
RCSB PDB
PDBbind
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3lbk
RCSB PDB
PDBbind
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3lbl
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
PDBbind
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3vzv
RCSB PDB
PDBbind
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3w69
RCSB PDB
PDBbind
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4dij
RCSB PDB
PDBbind
96aa, >4DIJ_1|Chains... at 97%
4ere
RCSB PDB
PDBbind
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PDBbind
96aa, >4ERF_1|Chains... at 98%
4hg7
RCSB PDB
PDBbind
97aa, >4HG7_1|Chain... at 93%
4jv7
RCSB PDB
PDBbind
96aa, >4JV7_1|Chain... at 97%
4jv9
RCSB PDB
PDBbind
96aa, >4JV9_1|Chain... at 97%
4jve
RCSB PDB
PDBbind
96aa, >4JVE_1|Chain... at 97%
4jwr
RCSB PDB
PDBbind
95aa, >4JWR_1|Chains... at 100%
4mdn
RCSB PDB
PDBbind
94aa, >4MDN_1|Chain... at 98%
4mdq
RCSB PDB
PDBbind
86aa, >4MDQ_1|Chain... at 100%
4oas
RCSB PDB
PDBbind
96aa, >4OAS_1|Chains... at 98%
4oba
RCSB PDB
PDBbind
96aa, >4OBA_1|Chains... at 98%
4occ
RCSB PDB
PDBbind
96aa, >4OCC_1|Chains... at 98%
4ode
RCSB PDB
PDBbind
105aa, >4ODE_1|Chain... at 100%
4odf
RCSB PDB
PDBbind
105aa, >4ODF_1|Chain... at 100%
4ogn
RCSB PDB
PDBbind
105aa, >4OGN_1|Chain... at 100%
4ogt
RCSB PDB
PDBbind
105aa, >4OGT_1|Chain... at 100%
4ogv
RCSB PDB
PDBbind
95aa, >4OGV_1|Chains... at 100%
4oq3
RCSB PDB
PDBbind
96aa, >4OQ3_1|Chains... at 97%
4qo4
RCSB PDB
PDBbind
96aa, >4QO4_1|Chain... at 98%
4qoc
RCSB PDB
PDBbind
96aa, >4QOC_1|Chains... at 98%
4wt2
RCSB PDB
PDBbind
105aa, >4WT2_1|Chain... at 100%
4zfi
RCSB PDB
PDBbind
97aa, >4ZFI_1|Chains... at 98%
4zgk
RCSB PDB
PDBbind
98aa, >4ZGK_1|Chains... at 98%
4zyc
RCSB PDB
PDBbind
96aa, >4ZYC_1|Chains... at 97%
4zyf
RCSB PDB
PDBbind
96aa, >4ZYF_1|Chain... at 98%
4zyi
RCSB PDB
PDBbind
96aa, >4ZYI_1|Chain... at 98%
5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
5hmi
RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5j7g
RCSB PDB
PDBbind
109aa, >5J7G_1|Chains... at 99%
5lav
RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5laz
RCSB PDB
PDBbind
94aa, >5LAZ_1|Chain... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
5oai
RCSB PDB
PDBbind
97aa, >5OAI_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4hbm
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
0Y7
EC.Number
E.C.6.3.2
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=12.0nM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Am.Chem.Soc. Vol. 134: pp. 17059-17067
Ligand Properties
Formula
C
2
3
H
2
5
Cl
2
NO
4
Molecular Weight
450.355
Exact Mass
449.116
No. of atoms
55
No. of bonds
57
Polar Surface Area
77.84
LOGP Value
5.57 (
Computed with XLOGP3
)
4.85 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
CC[C@H](N1C(=O)[C@@H](CC(=O)O)C[C@@H]([C@H]1c1ccc(cc1)Cl)c1cccc(c1)Cl)CO
InChI String
InChI=1S/C23H25Cl2NO4/c1-2-19(13-27)26-22(14-6-8-17(24)9-7-14)20(15-4-3-5-18(25)10-15)11-16(23(26)30)12-21(28)29/h3-10,16,19-20,22,27H,2,11-13H2,1H3,(H,28,29)/t16-,19+,20-,22-/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):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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