Browse entries in the PDBbind-CN Database
HEADER 1FKH_COMPLEX COMPND 1FKH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 107 GLY VAL GLN VAL GLU THR ILE SER PRO GLY ASP GLY ARG SEQRES 2 A 107 THR PHE PRO LYS ARG GLY GLN THR CYS VAL VAL HIS TYR SEQRES 3 A 107 THR GLY MET LEU GLU ASP GLY LYS LYS PHE ASP SER SER SEQRES 4 A 107 ARG ASP ARG ASN LYS PRO PHE LYS PHE MET LEU GLY LYS SEQRES 5 A 107 GLN GLU VAL ILE ARG GLY TRP GLU GLU GLY VAL ALA GLN SEQRES 6 A 107 MET SER VAL GLY GLN ARG ALA LYS LEU THR ILE SER PRO SEQRES 7 A 107 ASP TYR ALA TYR GLY ALA THR GLY HIS PRO GLY ILE ILE SEQRES 8 A 107 PRO PRO HIS ALA THR LEU VAL PHE ASP VAL GLU LEU LEU SEQRES 9 A 107 LYS LEU GLU HET SBX A 224 74 ATOM 1 N GLY A 1 -16.044 15.281 48.240 1.00 15.28 N ATOM 2 CA GLY A 1 -15.646 15.680 46.911 1.00 14.28 C ATOM 3 C GLY A 1 -16.912 15.662 46.081 1.00 12.01 C ATOM 4 O GLY A 1 -17.994 15.886 46.626 1.00 10.39 O ATOM 5 HA3 GLY A 1 -14.916 14.979 46.506 1.00 0.00 H ATOM 6 HA2 GLY A 1 -15.216 16.682 46.927 1.00 0.00 H ATOM 7 HN3 GLY A 1 -16.460 14.328 48.205 1.00 0.00 H ATOM 8 HN2 GLY A 1 -16.747 15.954 48.607 1.00 0.00 H ATOM 9 HN1 GLY A 1 -15.211 15.274 48.863 1.00 0.00 H ATOM 10 N VAL A 2 -16.785 15.358 44.803 1.00 10.94 N ATOM 11 CA VAL A 2 -17.913 15.287 43.899 1.00 8.94 C ATOM 12 C VAL A 2 -17.711 13.979 43.149 1.00 7.98 C ATOM 13 O VAL A 2 -16.604 13.611 42.761 1.00 7.69 O ATOM 14 CB VAL A 2 -17.928 16.551 42.939 1.00 9.12 C ATOM 15 CG1 VAL A 2 -16.593 16.817 42.281 1.00 5.00 C ATOM 16 CG2 VAL A 2 -18.963 16.294 41.848 1.00 6.27 C ATOM 17 HA VAL A 2 -18.878 15.302 44.405 1.00 0.00 H ATOM 18 HB VAL A 2 -18.165 17.426 43.544 1.00 0.00 H ATOM 19 HG11 VAL A 2 -15.840 16.996 43.049 1.00 0.00 H ATOM 20 HG12 VAL A 2 -16.306 15.952 41.683 1.00 0.00 H ATOM 21 HG13 VAL A 2 -16.674 17.694 41.639 1.00 0.00 H ATOM 22 HG21 VAL A 2 -18.688 15.398 41.291 1.00 0.00 H ATOM 23 HG22 VAL A 2 -19.943 16.153 42.304 1.00 0.00 H ATOM 24 HG23 VAL A 2 -18.996 17.148 41.171 1.00 0.00 H ATOM 25 H VAL A 2 -15.834 15.161 44.430 1.00 0.00 H ATOM 26 N GLN A 3 -18.801 13.237 43.091 1.00 8.91 N ATOM 27 CA GLN A 3 -18.891 11.987 42.373 1.00 9.38 C ATOM 28 C GLN A 3 -19.732 12.232 41.111 1.00 8.29 C ATOM 29 O GLN A 3 -20.825 12.802 41.197 1.00 7.82 O ATOM 30 CB GLN A 3 -19.548 11.017 43.324 1.00 14.29 C ATOM 31 CG GLN A 3 -19.999 9.718 42.692 1.00 22.04 C ATOM 32 CD GLN A 3 -20.835 8.922 43.665 1.00 27.69 C ATOM 33 OE1 GLN A 3 -20.337 8.029 44.350 1.00 29.55 O ATOM 34 NE2 GLN A 3 -22.130 9.232 43.721 1.00 30.23 N ATOM 35 HA GLN A 3 -17.929 11.588 42.053 1.00 0.00 H ATOM 36 HB2 GLN A 3 -18.835 10.781 44.114 1.00 0.00 H ATOM 37 HB3 GLN A 3 -20.421 11.505 43.758 1.00 0.00 H ATOM 38 HG2 GLN A 3 -20.592 9.937 41.804 1.00 0.00 H ATOM 39 HG3 GLN A 3 -19.124 9.134 42.408 1.00 0.00 H ATOM 40 HE22 GLN A 3 -22.508 9.995 43.124 1.00 0.00 H ATOM 41 HE21 GLN A 3 -22.762 8.711 44.362 1.00 0.00 H ATOM 42 H GLN A 3 -19.647 13.573 43.593 1.00 0.00 H ATOM 43 N VAL A 4 -19.309 11.779 39.947 1.00 6.64 N ATOM 44 CA VAL A 4 -20.044 11.989 38.706 1.00 5.13 C ATOM 45 C VAL A 4 -20.486 10.622 38.218 1.00 4.59 C ATOM 46 O VAL A 4 -19.652 9.731 38.006 1.00 4.05 O ATOM 47 CB VAL A 4 -19.152 12.640 37.610 1.00 4.08 C ATOM 48 CG1 VAL A 4 -19.987 12.741 36.332 1.00 6.41 C ATOM 49 CG2 VAL A 4 -18.645 14.025 38.021 1.00 2.90 C ATOM 50 HA VAL A 4 -20.884 12.658 38.893 1.00 0.00 H ATOM 51 HB VAL A 4 -18.268 12.021 37.456 1.00 0.00 H ATOM 52 HG11 VAL A 4 -20.300 11.743 36.024 1.00 0.00 H ATOM 53 HG12 VAL A 4 -20.866 13.357 36.522 1.00 0.00 H ATOM 54 HG13 VAL A 4 -19.388 13.195 35.543 1.00 0.00 H ATOM 55 HG21 VAL A 4 -19.495 14.683 38.200 1.00 0.00 H ATOM 56 HG22 VAL A 4 -18.053 13.938 38.932 1.00 0.00 H ATOM 57 HG23 VAL A 4 -18.028 14.436 37.222 1.00 0.00 H ATOM 58 H VAL A 4 -18.414 11.250 39.913 1.00 0.00 H ATOM 59 N GLU A 5 -21.782 10.420 38.105 1.00 3.46 N ATOM 60 CA GLU A 5 -22.310 9.174 37.626 1.00 4.12 C ATOM 61 C GLU A 5 -23.073 9.530 36.382 1.00 3.98 C ATOM 62 O GLU A 5 -23.995 10.323 36.470 1.00 2.58 O ATOM 63 CB GLU A 5 -23.307 8.524 38.575 1.00 6.78 C ATOM 64 CG GLU A 5 -22.772 8.008 39.894 1.00 13.93 C ATOM 65 CD GLU A 5 -23.898 7.664 40.873 1.00 18.01 C ATOM 66 OE1 GLU A 5 -24.599 8.577 41.328 1.00 18.03 O ATOM 67 OE2 GLU A 5 -24.079 6.482 41.172 1.00 20.32 O ATOM 68 HA GLU A 5 -21.487 8.472 37.492 1.00 0.00 H ATOM 69 HB2 GLU A 5 -24.076 9.263 38.799 1.00 0.00 H ATOM 70 HB3 GLU A 5 -23.757 7.681 38.051 1.00 0.00 H ATOM 71 HG2 GLU A 5 -22.181 7.112 39.708 1.00 0.00 H ATOM 72 HG3 GLU A 5 -22.138 8.774 40.341 1.00 0.00 H ATOM 73 H GLU A 5 -22.439 11.182 38.369 1.00 0.00 H ATOM 74 N THR A 6 -22.771 8.962 35.228 1.00 5.43 N ATOM 75 CA THR A 6 -23.448 9.286 33.980 1.00 4.54 C ATOM 76 C THR A 6 -24.885 8.737 33.907 1.00 4.24 C ATOM 77 O THR A 6 -25.120 7.604 34.301 1.00 4.68 O ATOM 78 CB THR A 6 -22.573 8.711 32.808 1.00 4.27 C ATOM 79 OG1 THR A 6 -21.249 9.238 32.952 1.00 4.68 O ATOM 80 CG2 THR A 6 -23.102 9.074 31.439 1.00 4.01 C ATOM 81 HA THR A 6 -23.549 10.369 33.907 1.00 0.00 H ATOM 82 HB THR A 6 -22.593 7.623 32.874 1.00 0.00 H ATOM 83 HG1 THR A 6 -20.676 8.890 32.224 1.00 0.00 H ATOM 84 HG23 THR A 6 -24.110 8.676 31.323 1.00 0.00 H ATOM 85 HG21 THR A 6 -23.125 10.159 31.336 1.00 0.00 H ATOM 86 HG22 THR A 6 -22.452 8.648 30.675 1.00 0.00 H ATOM 87 H THR A 6 -22.014 8.249 35.210 1.00 0.00 H ATOM 88 N ILE A 7 -25.864 9.520 33.434 1.00 5.76 N ATOM 89 CA ILE A 7 -27.230 9.112 33.117 1.00 5.92 C ATOM 90 C ILE A 7 -27.216 8.869 31.609 1.00 7.22 C ATOM 91 O ILE A 7 -27.728 7.848 31.146 1.00 7.28 O ATOM 92 CB ILE A 7 -28.208 10.259 33.517 1.00 5.18 C ATOM 93 CG1 ILE A 7 -28.295 10.319 35.046 1.00 2.41 C ATOM 94 CG2 ILE A 7 -29.617 10.038 32.940 1.00 4.38 C ATOM 95 CD1 ILE A 7 -28.702 11.734 35.511 1.00 2.00 C ATOM 96 HA ILE A 7 -27.560 8.221 33.652 1.00 0.00 H ATOM 97 HB ILE A 7 -27.823 11.194 33.109 1.00 0.00 H ATOM 98 HG12 ILE A 7 -29.038 9.600 35.392 1.00 0.00 H ATOM 99 HG13 ILE A 7 -27.323 10.068 35.471 1.00 0.00 H ATOM 100 HD11 ILE A 7 -27.959 12.455 35.170 1.00 0.00 H ATOM 101 HD12 ILE A 7 -29.675 11.987 35.091 1.00 0.00 H ATOM 102 HD13 ILE A 7 -28.758 11.755 36.599 1.00 0.00 H ATOM 103 HG21 ILE A 7 -29.561 10.000 31.852 1.00 0.00 H ATOM 104 HG22 ILE A 7 -30.019 9.098 33.317 1.00 0.00 H ATOM 105 HG23 ILE A 7 -30.265 10.860 33.243 1.00 0.00 H ATOM 106 H ILE A 7 -25.627 10.520 33.277 1.00 0.00 H ATOM 107 N SER A 8 -26.656 9.781 30.798 1.00 9.45 N ATOM 108 CA SER A 8 -26.547 9.633 29.317 1.00 8.77 C ATOM 109 C SER A 8 -25.165 10.112 28.847 1.00 5.23 C ATOM 110 O SER A 8 -24.717 11.142 29.351 1.00 2.00 O ATOM 111 CB SER A 8 -27.614 10.481 28.579 1.00 10.68 C ATOM 112 OG SER A 8 -28.926 10.099 28.993 1.00 18.01 O ATOM 113 HA SER A 8 -26.699 8.579 29.086 1.00 0.00 H ATOM 114 HB2 SER A 8 -27.517 10.326 27.505 1.00 0.00 H ATOM 115 HB3 SER A 8 -27.457 11.535 28.808 1.00 0.00 H ATOM 116 HG SER A 8 -29.595 10.649 28.513 1.00 0.00 H ATOM 117 H SER A 8 -26.274 10.646 31.230 1.00 0.00 H ATOM 118 N PRO A 9 -24.416 9.427 27.975 1.00 3.50 N ATOM 119 CA PRO A 9 -23.122 9.895 27.495 1.00 2.00 C ATOM 120 C PRO A 9 -23.162 11.179 26.666 1.00 2.00 C ATOM 121 O PRO A 9 -24.175 11.497 26.060 1.00 2.00 O ATOM 122 CB PRO A 9 -22.592 8.702 26.750 1.00 2.00 C ATOM 123 CG PRO A 9 -23.856 8.055 26.209 1.00 5.73 C ATOM 124 CD PRO A 9 -24.804 8.162 27.378 1.00 4.72 C ATOM 125 HA PRO A 9 -22.474 10.212 28.312 1.00 0.00 H ATOM 126 HD3 PRO A 9 -25.842 8.184 27.045 1.00 0.00 H ATOM 127 HD2 PRO A 9 -24.665 7.336 28.076 1.00 0.00 H ATOM 128 HG3 PRO A 9 -23.681 7.014 25.938 1.00 0.00 H ATOM 129 HG2 PRO A 9 -24.236 8.596 25.342 1.00 0.00 H ATOM 130 HB2 PRO A 9 -21.929 9.007 25.940 1.00 0.00 H ATOM 131 HB3 PRO A 9 -22.060 8.026 27.419 1.00 0.00 H ATOM 132 N GLY A 10 -22.054 11.929 26.659 1.00 2.00 N ATOM 133 CA GLY A 10 -21.889 13.125 25.849 1.00 2.00 C ATOM 134 C GLY A 10 -21.070 12.704 24.636 1.00 2.00 C ATOM 135 O GLY A 10 -21.011 11.515 24.273 1.00 2.00 O ATOM 136 HA3 GLY A 10 -21.362 13.895 26.413 1.00 0.00 H ATOM 137 HA2 GLY A 10 -22.861 13.507 25.536 1.00 0.00 H ATOM 138 H GLY A 10 -21.264 11.639 27.269 1.00 0.00 H ATOM 139 N ASP A 11 -20.352 13.613 24.013 1.00 2.00 N ATOM 140 CA ASP A 11 -19.537 13.240 22.882 1.00 2.00 C ATOM 141 C ASP A 11 -18.170 12.705 23.248 1.00 3.67 C ATOM 142 O ASP A 11 -17.460 12.241 22.371 1.00 4.07 O ATOM 143 CB ASP A 11 -19.389 14.426 21.945 1.00 2.00 C ATOM 144 CG ASP A 11 -18.596 15.634 22.412 1.00 3.60 C ATOM 145 OD1 ASP A 11 -18.058 15.679 23.505 1.00 2.13 O ATOM 146 OD2 ASP A 11 -18.543 16.594 21.676 1.00 4.05 O ATOM 147 HA ASP A 11 -20.060 12.418 22.392 1.00 0.00 H ATOM 148 HB2 ASP A 11 -18.910 14.059 21.037 1.00 0.00 H ATOM 149 HB3 ASP A 11 -20.394 14.775 21.708 1.00 0.00 H ATOM 150 H ASP A 11 -20.372 14.601 24.336 1.00 0.00 H ATOM 151 N GLY A 12 -17.687 12.851 24.482 1.00 4.57 N ATOM 152 CA GLY A 12 -16.380 12.351 24.887 1.00 3.30 C ATOM 153 C GLY A 12 -15.211 13.067 24.283 1.00 3.81 C ATOM 154 O GLY A 12 -14.105 12.546 24.281 1.00 7.99 O ATOM 155 HA3 GLY A 12 -16.317 11.301 24.602 1.00 0.00 H ATOM 156 HA2 GLY A 12 -16.306 12.438 25.971 1.00 0.00 H ATOM 157 H GLY A 12 -18.270 13.344 25.188 1.00 0.00 H ATOM 158 N ARG A 13 -15.413 14.255 23.760 1.00 4.19 N ATOM 159 CA ARG A 13 -14.386 15.063 23.133 1.00 6.13 C ATOM 160 C ARG A 13 -14.413 16.542 23.529 1.00 6.07 C ATOM 161 O ARG A 13 -13.362 17.152 23.671 1.00 6.77 O ATOM 162 CB ARG A 13 -14.517 15.023 21.629 1.00 8.98 C ATOM 163 CG ARG A 13 -14.368 13.665 21.022 1.00 15.54 C ATOM 164 CD ARG A 13 -15.184 13.724 19.728 1.00 24.19 C ATOM 165 NE ARG A 13 -14.962 12.525 18.940 1.00 29.27 N ATOM 166 CZ ARG A 13 -15.722 11.426 19.024 1.00 34.43 C ATOM 167 NH1 ARG A 13 -16.827 11.351 19.794 1.00 37.07 N ATOM 168 NH2 ARG A 13 -15.388 10.386 18.250 1.00 36.42 N ATOM 169 HA ARG A 13 -13.452 14.624 23.483 1.00 0.00 H ATOM 170 HB2 ARG A 13 -15.502 15.407 21.364 1.00 0.00 H ATOM 171 HB3 ARG A 13 -13.750 15.670 21.204 1.00 0.00 H ATOM 172 HG2 ARG A 13 -13.321 13.453 20.807 1.00 0.00 H ATOM 173 HG3 ARG A 13 -14.762 12.900 21.691 1.00 0.00 H ATOM 174 HD2 ARG A 13 -14.880 14.597 19.150 1.00 0.00 H ATOM 175 HD3 ARG A 13 -16.243 13.803 19.973 1.00 0.00 H ATOM 176 HE ARG A 13 -14.166 12.519 18.271 1.00 0.00 H ATOM 177 HH12 ARG A 13 -17.382 10.472 19.823 1.00 0.00 H ATOM 178 HH11 ARG A 13 -17.124 12.172 20.359 1.00 0.00 H ATOM 179 HH22 ARG A 13 -15.950 9.512 18.283 1.00 0.00 H ATOM 180 HH21 ARG A 13 -14.566 10.452 17.616 1.00 0.00 H ATOM 181 H ARG A 13 -16.377 14.643 23.799 1.00 0.00 H ATOM 182 N THR A 14 -15.578 17.168 23.727 1.00 5.27 N ATOM 183 CA THR A 14 -15.700 18.591 23.998 1.00 5.62 C ATOM 184 C THR A 14 -16.115 18.828 25.457 1.00 6.54 C ATOM 185 O THR A 14 -17.262 18.633 25.865 1.00 5.22 O ATOM 186 CB THR A 14 -16.736 19.147 22.970 1.00 5.73 C ATOM 187 OG1 THR A 14 -16.557 18.396 21.755 1.00 5.30 O ATOM 188 CG2 THR A 14 -16.580 20.644 22.731 1.00 3.44 C ATOM 189 HA THR A 14 -14.751 19.114 23.880 1.00 0.00 H ATOM 190 HB THR A 14 -17.747 19.028 23.359 1.00 0.00 H ATOM 191 HG1 THR A 14 -15.632 18.520 21.425 1.00 0.00 H ATOM 192 HG23 THR A 14 -16.722 21.177 23.671 1.00 0.00 H ATOM 193 HG21 THR A 14 -15.581 20.847 22.344 1.00 0.00 H ATOM 194 HG22 THR A 14 -17.325 20.975 22.008 1.00 0.00 H ATOM 195 H THR A 14 -16.450 16.602 23.685 1.00 0.00 H ATOM 196 N PHE A 15 -15.068 19.151 26.204 1.00 6.86 N ATOM 197 CA PHE A 15 -15.050 19.345 27.634 1.00 6.35 C ATOM 198 C PHE A 15 -14.880 20.841 27.930 1.00 4.25 C ATOM 199 O PHE A 15 -14.185 21.567 27.224 1.00 2.55 O ATOM 200 CB PHE A 15 -13.886 18.547 28.183 1.00 6.44 C ATOM 201 CG PHE A 15 -14.085 17.044 28.079 1.00 7.33 C ATOM 202 CD1 PHE A 15 -14.771 16.380 29.068 1.00 5.69 C ATOM 203 CD2 PHE A 15 -13.614 16.355 26.978 1.00 7.57 C ATOM 204 CE1 PHE A 15 -14.994 15.023 28.966 1.00 4.89 C ATOM 205 CE2 PHE A 15 -13.848 14.992 26.883 1.00 5.47 C ATOM 206 CZ PHE A 15 -14.534 14.335 27.875 1.00 5.98 C ATOM 207 HA PHE A 15 -15.977 19.010 28.099 1.00 0.00 H ATOM 208 HB2 PHE A 15 -12.988 18.817 27.627 1.00 0.00 H ATOM 209 HB3 PHE A 15 -13.753 18.807 29.233 1.00 0.00 H ATOM 210 HD2 PHE A 15 -13.065 16.877 26.194 1.00 0.00 H ATOM 211 HE2 PHE A 15 -13.486 14.439 26.017 1.00 0.00 H ATOM 212 HZ PHE A 15 -14.713 13.263 27.794 1.00 0.00 H ATOM 213 HE1 PHE A 15 -15.536 14.499 29.753 1.00 0.00 H ATOM 214 HD1 PHE A 15 -15.140 16.928 29.935 1.00 0.00 H ATOM 215 H PHE A 15 -14.164 19.278 25.706 1.00 0.00 H ATOM 216 N PRO A 16 -15.541 21.389 28.912 1.00 3.60 N ATOM 217 CA PRO A 16 -15.463 22.812 29.167 1.00 4.12 C ATOM 218 C PRO A 16 -14.111 23.225 29.702 1.00 4.78 C ATOM 219 O PRO A 16 -13.519 22.523 30.519 1.00 3.88 O ATOM 220 CB PRO A 16 -16.605 23.082 30.125 1.00 4.17 C ATOM 221 CG PRO A 16 -17.089 21.733 30.600 1.00 4.02 C ATOM 222 CD PRO A 16 -16.693 20.762 29.528 1.00 2.00 C ATOM 223 HA PRO A 16 -15.560 23.407 28.259 1.00 0.00 H ATOM 224 HD3 PRO A 16 -16.428 19.795 29.956 1.00 0.00 H ATOM 225 HD2 PRO A 16 -17.498 20.630 28.805 1.00 0.00 H ATOM 226 HG3 PRO A 16 -18.172 21.740 30.727 1.00 0.00 H ATOM 227 HG2 PRO A 16 -16.615 21.470 31.546 1.00 0.00 H ATOM 228 HB2 PRO A 16 -16.257 23.677 30.969 1.00 0.00 H ATOM 229 HB3 PRO A 16 -17.408 23.613 29.615 1.00 0.00 H ATOM 230 N LYS A 17 -13.649 24.347 29.213 1.00 4.81 N ATOM 231 CA LYS A 17 -12.407 25.004 29.601 1.00 7.29 C ATOM 232 C LYS A 17 -12.739 26.212 30.475 1.00 6.30 C ATOM 233 O LYS A 17 -13.805 26.810 30.346 1.00 5.05 O ATOM 234 CB LYS A 17 -11.657 25.538 28.386 1.00 11.78 C ATOM 235 CG LYS A 17 -11.467 24.471 27.308 1.00 18.69 C ATOM 236 CD LYS A 17 -11.016 25.095 25.966 1.00 24.78 C ATOM 237 CE LYS A 17 -11.137 23.985 24.887 1.00 27.13 C ATOM 238 NZ LYS A 17 -9.945 23.785 24.073 1.00 28.18 N ATOM 239 HA LYS A 17 -11.793 24.270 30.123 1.00 0.00 H ATOM 240 HB2 LYS A 17 -12.221 26.369 27.962 1.00 0.00 H ATOM 241 HB3 LYS A 17 -10.677 25.892 28.706 1.00 0.00 H ATOM 242 HG2 LYS A 17 -10.710 23.761 27.641 1.00 0.00 H ATOM 243 HG3 LYS A 17 -12.411 23.948 27.156 1.00 0.00 H ATOM 244 HD2 LYS A 17 -11.658 25.938 25.710 1.00 0.00 H ATOM 245 HD3 LYS A 17 -9.983 25.435 26.039 1.00 0.00 H ATOM 246 HE2 LYS A 17 -11.960 24.247 24.223 1.00 0.00 H ATOM 247 HE3 LYS A 17 -11.364 23.046 25.392 1.00 0.00 H ATOM 248 HZ1 LYS A 17 -9.718 24.667 23.570 1.00 0.00 H ATOM 249 HZ2 LYS A 17 -9.148 23.519 24.686 1.00 0.00 H ATOM 250 HZ3 LYS A 17 -10.121 23.027 23.383 1.00 0.00 H ATOM 251 H LYS A 17 -14.221 24.813 28.480 1.00 0.00 H ATOM 252 N ARG A 18 -11.853 26.620 31.366 1.00 6.47 N ATOM 253 CA ARG A 18 -11.991 27.825 32.149 1.00 7.19 C ATOM 254 C ARG A 18 -12.294 29.031 31.257 1.00 6.29 C ATOM 255 O ARG A 18 -11.639 29.190 30.230 1.00 5.45 O ATOM 256 CB ARG A 18 -10.701 28.048 32.874 1.00 10.74 C ATOM 257 CG ARG A 18 -10.802 28.986 34.048 1.00 14.41 C ATOM 258 CD ARG A 18 -9.451 29.630 34.140 1.00 17.58 C ATOM 259 NE ARG A 18 -9.229 29.977 35.522 1.00 20.47 N ATOM 260 CZ ARG A 18 -8.405 30.970 35.887 1.00 21.38 C ATOM 261 NH1 ARG A 18 -7.737 31.691 34.955 1.00 16.39 N ATOM 262 NH2 ARG A 18 -8.257 31.182 37.217 1.00 21.42 N ATOM 263 HA ARG A 18 -12.820 27.713 32.848 1.00 0.00 H ATOM 264 HB2 ARG A 18 -10.342 27.085 33.237 1.00 0.00 H ATOM 265 HB3 ARG A 18 -9.980 28.461 32.168 1.00 0.00 H ATOM 266 HG2 ARG A 18 -11.574 29.736 33.876 1.00 0.00 H ATOM 267 HG3 ARG A 18 -11.029 28.436 34.961 1.00 0.00 H ATOM 268 HD2 ARG A 18 -9.423 30.527 33.522 1.00 0.00 H ATOM 269 HD3 ARG A 18 -8.683 28.934 33.803 1.00 0.00 H ATOM 270 HE ARG A 18 -9.725 29.439 36.261 1.00 0.00 H ATOM 271 HH12 ARG A 18 -7.100 32.459 35.250 1.00 0.00 H ATOM 272 HH11 ARG A 18 -7.861 31.477 33.945 1.00 0.00 H ATOM 273 HH22 ARG A 18 -7.630 31.939 37.556 1.00 0.00 H ATOM 274 HH21 ARG A 18 -8.770 30.588 37.899 1.00 0.00 H ATOM 275 H ARG A 18 -11.004 26.037 31.512 1.00 0.00 H ATOM 276 N GLY A 19 -13.243 29.910 31.588 1.00 3.85 N ATOM 277 CA GLY A 19 -13.579 31.034 30.745 1.00 3.58 C ATOM 278 C GLY A 19 -14.744 30.779 29.813 1.00 2.00 C ATOM 279 O GLY A 19 -15.280 31.714 29.205 1.00 2.00 O ATOM 280 HA3 GLY A 19 -12.706 31.284 30.142 1.00 0.00 H ATOM 281 HA2 GLY A 19 -13.831 31.880 31.385 1.00 0.00 H ATOM 282 H GLY A 19 -13.757 29.781 32.483 1.00 0.00 H ATOM 283 N GLN A 20 -15.129 29.518 29.679 1.00 2.77 N ATOM 284 CA GLN A 20 -16.259 29.162 28.846 1.00 3.74 C ATOM 285 C GLN A 20 -17.528 29.161 29.657 1.00 2.61 C ATOM 286 O GLN A 20 -17.545 28.855 30.847 1.00 2.00 O ATOM 287 CB GLN A 20 -16.086 27.801 28.244 1.00 3.34 C ATOM 288 CG GLN A 20 -14.824 27.695 27.406 1.00 4.31 C ATOM 289 CD GLN A 20 -14.939 26.471 26.510 1.00 9.52 C ATOM 290 OE1 GLN A 20 -14.767 25.320 26.919 1.00 5.42 O ATOM 291 NE2 GLN A 20 -15.296 26.660 25.247 1.00 10.18 N ATOM 292 HA GLN A 20 -16.318 29.904 28.050 1.00 0.00 H ATOM 293 HB2 GLN A 20 -16.036 27.066 29.048 1.00 0.00 H ATOM 294 HB3 GLN A 20 -16.946 27.586 27.610 1.00 0.00 H ATOM 295 HG2 GLN A 20 -14.713 28.590 26.794 1.00 0.00 H ATOM 296 HG3 GLN A 20 -13.957 27.593 28.058 1.00 0.00 H ATOM 297 HE22 GLN A 20 -15.445 27.624 24.887 1.00 0.00 H ATOM 298 HE21 GLN A 20 -15.427 25.844 24.616 1.00 0.00 H ATOM 299 H GLN A 20 -14.610 28.770 30.182 1.00 0.00 H ATOM 300 N THR A 21 -18.602 29.543 28.993 1.00 3.42 N ATOM 301 CA THR A 21 -19.909 29.556 29.606 1.00 3.55 C ATOM 302 C THR A 21 -20.519 28.180 29.302 1.00 4.77 C ATOM 303 O THR A 21 -20.558 27.757 28.140 1.00 2.48 O ATOM 304 CB THR A 21 -20.739 30.739 29.001 1.00 5.33 C ATOM 305 OG1 THR A 21 -20.108 31.971 29.397 1.00 5.12 O ATOM 306 CG2 THR A 21 -22.207 30.729 29.471 1.00 3.41 C ATOM 307 HA THR A 21 -19.886 29.716 30.684 1.00 0.00 H ATOM 308 HB THR A 21 -20.757 30.633 27.916 1.00 0.00 H ATOM 309 HG1 THR A 21 -19.180 31.991 29.052 1.00 0.00 H ATOM 310 HG23 THR A 21 -22.678 29.794 29.168 1.00 0.00 H ATOM 311 HG21 THR A 21 -22.240 30.819 30.557 1.00 0.00 H ATOM 312 HG22 THR A 21 -22.737 31.567 29.020 1.00 0.00 H ATOM 313 H THR A 21 -18.505 29.843 28.002 1.00 0.00 H ATOM 314 N CYS A 22 -20.931 27.446 30.346 1.00 3.28 N ATOM 315 CA CYS A 22 -21.630 26.181 30.234 1.00 2.41 C ATOM 316 C CYS A 22 -23.122 26.473 30.330 1.00 4.39 C ATOM 317 O CYS A 22 -23.601 27.258 31.173 1.00 4.20 O ATOM 318 CB CYS A 22 -21.281 25.282 31.376 1.00 4.84 C ATOM 319 SG CYS A 22 -19.508 25.013 31.561 1.00 4.39 S ATOM 320 HA CYS A 22 -21.356 25.700 29.295 1.00 0.00 H ATOM 321 HB2 CYS A 22 -21.762 24.317 31.216 1.00 0.00 H ATOM 322 HB3 CYS A 22 -21.661 25.728 32.295 1.00 0.00 H ATOM 323 HG CYS A 22 -19.281 24.176 32.634 1.00 0.00 H ATOM 324 H CYS A 22 -20.736 27.809 31.301 1.00 0.00 H ATOM 325 N VAL A 23 -23.894 25.873 29.466 1.00 2.22 N ATOM 326 CA VAL A 23 -25.323 26.073 29.464 1.00 3.26 C ATOM 327 C VAL A 23 -25.790 24.728 29.942 1.00 3.88 C ATOM 328 O VAL A 23 -25.533 23.676 29.296 1.00 5.61 O ATOM 329 CB VAL A 23 -25.825 26.380 28.019 1.00 2.00 C ATOM 330 CG1 VAL A 23 -27.313 26.581 28.000 1.00 2.00 C ATOM 331 CG2 VAL A 23 -25.153 27.643 27.522 1.00 2.91 C ATOM 332 HA VAL A 23 -25.679 26.907 30.068 1.00 0.00 H ATOM 333 HB VAL A 23 -25.578 25.534 27.377 1.00 0.00 H ATOM 334 HG11 VAL A 23 -27.805 25.677 28.358 1.00 0.00 H ATOM 335 HG12 VAL A 23 -27.574 27.418 28.647 1.00 0.00 H ATOM 336 HG13 VAL A 23 -27.637 26.793 26.981 1.00 0.00 H ATOM 337 HG21 VAL A 23 -25.405 28.472 28.183 1.00 0.00 H ATOM 338 HG22 VAL A 23 -24.073 27.499 27.514 1.00 0.00 H ATOM 339 HG23 VAL A 23 -25.499 27.864 26.512 1.00 0.00 H ATOM 340 H VAL A 23 -23.469 25.236 28.762 1.00 0.00 H ATOM 341 N VAL A 24 -26.458 24.728 31.085 1.00 3.53 N ATOM 342 CA VAL A 24 -26.875 23.461 31.684 1.00 3.15 C ATOM 343 C VAL A 24 -28.330 23.436 32.053 1.00 2.09 C ATOM 344 O VAL A 24 -28.950 24.486 32.242 1.00 4.72 O ATOM 345 CB VAL A 24 -26.077 23.120 32.984 1.00 2.97 C ATOM 346 CG1 VAL A 24 -24.597 23.044 32.673 1.00 3.63 C ATOM 347 CG2 VAL A 24 -26.329 24.160 34.056 1.00 2.00 C ATOM 348 HA VAL A 24 -26.673 22.725 30.906 1.00 0.00 H ATOM 349 HB VAL A 24 -26.417 22.154 33.356 1.00 0.00 H ATOM 350 HG11 VAL A 24 -24.423 22.267 31.929 1.00 0.00 H ATOM 351 HG12 VAL A 24 -24.259 24.004 32.284 1.00 0.00 H ATOM 352 HG13 VAL A 24 -24.047 22.806 33.584 1.00 0.00 H ATOM 353 HG21 VAL A 24 -26.012 25.138 33.694 1.00 0.00 H ATOM 354 HG22 VAL A 24 -27.393 24.186 34.292 1.00 0.00 H ATOM 355 HG23 VAL A 24 -25.763 23.902 34.951 1.00 0.00 H ATOM 356 H VAL A 24 -26.686 25.627 31.556 1.00 0.00 H ATOM 357 N HIS A 25 -28.901 22.247 32.082 1.00 2.14 N ATOM 358 CA HIS A 25 -30.202 22.049 32.675 1.00 2.00 C ATOM 359 C HIS A 25 -29.929 21.273 33.949 1.00 2.20 C ATOM 360 O HIS A 25 -29.089 20.361 33.911 1.00 2.00 O ATOM 361 CB HIS A 25 -31.136 21.235 31.766 1.00 2.71 C ATOM 362 CG HIS A 25 -32.318 22.091 31.301 1.00 2.00 C ATOM 363 ND1 HIS A 25 -32.897 23.113 31.921 1.00 2.89 N ATOM 364 CD2 HIS A 25 -32.987 21.955 30.108 1.00 5.99 C ATOM 365 CE1 HIS A 25 -33.871 23.605 31.174 1.00 4.09 C ATOM 366 NE2 HIS A 25 -33.913 22.899 30.088 1.00 4.80 N ATOM 367 HA HIS A 25 -30.701 23.003 32.846 1.00 0.00 H ATOM 368 HB2 HIS A 25 -30.578 20.891 30.895 1.00 0.00 H ATOM 369 HB3 HIS A 25 -31.512 20.374 32.318 1.00 0.00 H ATOM 370 HD2 HIS A 25 -32.793 21.215 29.332 1.00 0.00 H ATOM 371 HE1 HIS A 25 -34.517 24.446 31.425 1.00 0.00 H ATOM 372 H HIS A 25 -28.402 21.434 31.668 1.00 0.00 H ATOM 373 N TYR A 26 -30.568 21.570 35.090 1.00 2.12 N ATOM 374 CA TYR A 26 -30.287 20.828 36.315 1.00 2.19 C ATOM 375 C TYR A 26 -31.547 20.640 37.131 1.00 2.00 C ATOM 376 O TYR A 26 -32.473 21.433 36.962 1.00 2.00 O ATOM 377 CB TYR A 26 -29.227 21.565 37.199 1.00 2.00 C ATOM 378 CG TYR A 26 -29.672 22.883 37.840 1.00 2.00 C ATOM 379 CD1 TYR A 26 -29.559 24.071 37.142 1.00 4.73 C ATOM 380 CD2 TYR A 26 -30.231 22.870 39.091 1.00 3.26 C ATOM 381 CE1 TYR A 26 -30.016 25.259 37.686 1.00 2.00 C ATOM 382 CE2 TYR A 26 -30.678 24.046 39.630 1.00 2.00 C ATOM 383 CZ TYR A 26 -30.567 25.228 38.934 1.00 2.49 C ATOM 384 OH TYR A 26 -30.978 26.402 39.523 1.00 2.00 O ATOM 385 HA TYR A 26 -29.892 19.858 36.014 1.00 0.00 H ATOM 386 HB3 TYR A 26 -28.361 21.777 36.572 1.00 0.00 H ATOM 387 HB2 TYR A 26 -28.935 20.888 38.002 1.00 0.00 H ATOM 388 HD2 TYR A 26 -30.318 21.937 39.648 1.00 0.00 H ATOM 389 HE2 TYR A 26 -31.128 24.046 40.623 1.00 0.00 H ATOM 390 HE1 TYR A 26 -29.938 26.195 37.132 1.00 0.00 H ATOM 391 HD1 TYR A 26 -29.105 24.072 36.151 1.00 0.00 H ATOM 392 HH TYR A 26 -31.941 26.339 39.746 1.00 0.00 H ATOM 393 H TYR A 26 -31.271 22.337 35.102 1.00 0.00 H ATOM 394 N THR A 27 -31.560 19.588 37.954 1.00 2.08 N ATOM 395 CA THR A 27 -32.498 19.430 39.055 1.00 2.00 C ATOM 396 C THR A 27 -31.660 19.228 40.307 1.00 2.00 C ATOM 397 O THR A 27 -30.837 18.326 40.343 1.00 2.00 O ATOM 398 CB THR A 27 -33.361 18.233 38.864 1.00 2.00 C ATOM 399 OG1 THR A 27 -34.190 18.609 37.795 1.00 2.44 O ATOM 400 CG2 THR A 27 -34.231 17.872 40.050 1.00 6.48 C ATOM 401 HA THR A 27 -33.147 20.303 39.120 1.00 0.00 H ATOM 402 HB THR A 27 -32.742 17.350 38.705 1.00 0.00 H ATOM 403 HG1 THR A 27 -34.707 19.415 38.047 1.00 0.00 H ATOM 404 HG23 THR A 27 -33.598 17.578 40.887 1.00 0.00 H ATOM 405 HG21 THR A 27 -34.833 18.735 40.334 1.00 0.00 H ATOM 406 HG22 THR A 27 -34.886 17.044 39.780 1.00 0.00 H ATOM 407 H THR A 27 -30.858 18.837 37.799 1.00 0.00 H ATOM 408 N GLY A 28 -31.765 20.049 41.324 1.00 2.00 N ATOM 409 CA GLY A 28 -31.025 19.876 42.576 1.00 2.59 C ATOM 410 C GLY A 28 -31.896 19.162 43.603 1.00 2.00 C ATOM 411 O GLY A 28 -33.051 19.541 43.832 1.00 2.00 O ATOM 412 HA3 GLY A 28 -30.737 20.853 42.963 1.00 0.00 H ATOM 413 HA2 GLY A 28 -30.130 19.284 42.387 1.00 0.00 H ATOM 414 H GLY A 28 -32.406 20.864 41.237 1.00 0.00 H ATOM 415 N MET A 29 -31.388 18.099 44.218 1.00 2.16 N ATOM 416 CA MET A 29 -32.104 17.368 45.253 1.00 2.21 C ATOM 417 C MET A 29 -31.223 17.105 46.490 1.00 3.15 C ATOM 418 O MET A 29 -29.991 17.099 46.462 1.00 2.00 O ATOM 419 CB MET A 29 -32.589 16.015 44.747 1.00 3.16 C ATOM 420 CG MET A 29 -33.519 15.994 43.539 1.00 4.23 C ATOM 421 SD MET A 29 -33.397 14.403 42.684 1.00 11.89 S ATOM 422 CE MET A 29 -32.151 15.012 41.551 1.00 8.66 C ATOM 423 HA MET A 29 -32.950 17.999 45.526 1.00 0.00 H ATOM 424 HB2 MET A 29 -31.706 15.430 44.487 1.00 0.00 H ATOM 425 HB3 MET A 29 -33.115 15.530 45.570 1.00 0.00 H ATOM 426 HG2 MET A 29 -33.238 16.794 42.854 1.00 0.00 H ATOM 427 HG3 MET A 29 -34.546 16.146 43.872 1.00 0.00 H ATOM 428 HE1 MET A 29 -32.556 15.851 40.984 1.00 0.00 H ATOM 429 HE2 MET A 29 -31.278 15.341 42.115 1.00 0.00 H ATOM 430 HE3 MET A 29 -31.863 14.214 40.866 1.00 0.00 H ATOM 431 H MET A 29 -30.437 17.775 43.948 1.00 0.00 H ATOM 432 N LEU A 30 -31.852 16.968 47.653 1.00 3.56 N ATOM 433 CA LEU A 30 -31.201 16.485 48.838 1.00 3.40 C ATOM 434 C LEU A 30 -31.114 14.970 48.741 1.00 5.25 C ATOM 435 O LEU A 30 -31.730 14.337 47.865 1.00 5.36 O ATOM 436 CB LEU A 30 -32.014 16.914 50.043 1.00 5.12 C ATOM 437 CG LEU A 30 -32.247 18.400 50.237 1.00 4.53 C ATOM 438 CD1 LEU A 30 -33.186 18.624 51.393 1.00 7.91 C ATOM 439 CD2 LEU A 30 -30.930 19.086 50.498 1.00 6.45 C ATOM 440 HA LEU A 30 -30.195 16.892 48.940 1.00 0.00 H ATOM 441 HB2 LEU A 30 -32.991 16.437 49.964 1.00 0.00 H ATOM 442 HB3 LEU A 30 -31.501 16.545 50.931 1.00 0.00 H ATOM 443 HG LEU A 30 -32.695 18.817 49.335 1.00 0.00 H ATOM 444 HD21 LEU A 30 -30.476 18.669 51.397 1.00 0.00 H ATOM 445 HD22 LEU A 30 -30.266 18.930 49.648 1.00 0.00 H ATOM 446 HD23 LEU A 30 -31.099 20.154 50.637 1.00 0.00 H ATOM 447 HD11 LEU A 30 -34.137 18.134 51.187 1.00 0.00 H ATOM 448 HD12 LEU A 30 -32.750 18.206 52.300 1.00 0.00 H ATOM 449 HD13 LEU A 30 -33.348 19.694 51.526 1.00 0.00 H ATOM 450 H LEU A 30 -32.859 17.222 47.707 1.00 0.00 H ATOM 451 N GLU A 31 -30.432 14.283 49.653 1.00 5.61 N ATOM 452 CA GLU A 31 -30.227 12.860 49.542 1.00 6.62 C ATOM 453 C GLU A 31 -31.458 12.004 49.594 1.00 4.07 C ATOM 454 O GLU A 31 -31.456 10.904 49.054 1.00 2.58 O ATOM 455 CB GLU A 31 -29.303 12.414 50.620 1.00 11.68 C ATOM 456 CG GLU A 31 -27.878 12.801 50.299 1.00 17.09 C ATOM 457 CD GLU A 31 -26.899 12.218 51.319 1.00 20.77 C ATOM 458 OE1 GLU A 31 -27.018 12.539 52.496 1.00 23.08 O ATOM 459 OE2 GLU A 31 -26.014 11.452 50.941 1.00 24.21 O ATOM 460 HA GLU A 31 -29.818 12.720 48.541 1.00 0.00 H ATOM 461 HB2 GLU A 31 -29.598 12.881 51.560 1.00 0.00 H ATOM 462 HB3 GLU A 31 -29.366 11.330 50.719 1.00 0.00 H ATOM 463 HG2 GLU A 31 -27.623 12.426 49.308 1.00 0.00 H ATOM 464 HG3 GLU A 31 -27.795 13.888 50.308 1.00 0.00 H ATOM 465 H GLU A 31 -30.034 14.787 50.471 1.00 0.00 H ATOM 466 N ASP A 32 -32.528 12.514 50.174 1.00 2.74 N ATOM 467 CA ASP A 32 -33.812 11.821 50.255 1.00 3.65 C ATOM 468 C ASP A 32 -34.693 11.939 49.012 1.00 4.39 C ATOM 469 O ASP A 32 -35.842 11.481 49.032 1.00 4.28 O ATOM 470 CB ASP A 32 -34.636 12.361 51.449 1.00 4.55 C ATOM 471 CG ASP A 32 -34.847 13.881 51.445 1.00 6.70 C ATOM 472 OD1 ASP A 32 -34.474 14.551 50.495 1.00 5.15 O ATOM 473 OD2 ASP A 32 -35.336 14.418 52.419 1.00 8.85 O ATOM 474 HA ASP A 32 -33.543 10.771 50.369 1.00 0.00 H ATOM 475 HB2 ASP A 32 -35.615 11.882 51.431 1.00 0.00 H ATOM 476 HB3 ASP A 32 -34.118 12.092 52.369 1.00 0.00 H ATOM 477 H ASP A 32 -32.453 13.461 50.597 1.00 0.00 H ATOM 478 N GLY A 33 -34.240 12.686 47.991 1.00 4.87 N ATOM 479 CA GLY A 33 -34.996 12.851 46.771 1.00 3.85 C ATOM 480 C GLY A 33 -35.657 14.213 46.683 1.00 5.92 C ATOM 481 O GLY A 33 -36.101 14.638 45.609 1.00 6.29 O ATOM 482 HA3 GLY A 33 -35.768 12.083 46.730 1.00 0.00 H ATOM 483 HA2 GLY A 33 -34.322 12.732 45.922 1.00 0.00 H ATOM 484 H GLY A 33 -33.318 13.159 48.082 1.00 0.00 H ATOM 485 N LYS A 34 -35.697 14.946 47.793 1.00 6.69 N ATOM 486 CA LYS A 34 -36.385 16.216 47.866 1.00 8.98 C ATOM 487 C LYS A 34 -35.780 17.245 46.914 1.00 7.70 C ATOM 488 O LYS A 34 -34.618 17.626 46.996 1.00 4.25 O ATOM 489 CB LYS A 34 -36.342 16.605 49.373 1.00 14.14 C ATOM 490 CG LYS A 34 -36.868 17.872 50.040 1.00 21.85 C ATOM 491 CD LYS A 34 -38.076 18.451 49.312 1.00 27.89 C ATOM 492 CE LYS A 34 -39.341 17.585 49.342 1.00 32.79 C ATOM 493 NZ LYS A 34 -40.129 17.885 50.526 1.00 35.73 N ATOM 494 HA LYS A 34 -37.420 16.163 47.528 1.00 0.00 H ATOM 495 HB2 LYS A 34 -36.861 15.792 49.881 1.00 0.00 H ATOM 496 HB3 LYS A 34 -35.284 16.577 49.633 1.00 0.00 H ATOM 497 HG2 LYS A 34 -37.156 17.635 51.064 1.00 0.00 H ATOM 498 HG3 LYS A 34 -36.074 18.618 50.050 1.00 0.00 H ATOM 499 HD2 LYS A 34 -38.315 19.412 49.768 1.00 0.00 H ATOM 500 HD3 LYS A 34 -37.798 18.605 48.269 1.00 0.00 H ATOM 501 HE2 LYS A 34 -39.057 16.533 49.356 1.00 0.00 H ATOM 502 HE3 LYS A 34 -39.937 17.787 48.452 1.00 0.00 H ATOM 503 HZ1 LYS A 34 -39.563 17.690 51.376 1.00 0.00 H ATOM 504 HZ2 LYS A 34 -40.403 18.888 50.513 1.00 0.00 H ATOM 505 HZ3 LYS A 34 -40.983 17.291 50.533 1.00 0.00 H ATOM 506 H LYS A 34 -35.214 14.591 48.643 1.00 0.00 H ATOM 507 N LYS A 35 -36.580 17.617 45.937 1.00 9.28 N ATOM 508 CA LYS A 35 -36.188 18.616 44.965 1.00 9.57 C ATOM 509 C LYS A 35 -36.268 19.976 45.595 1.00 7.31 C ATOM 510 O LYS A 35 -37.277 20.332 46.188 1.00 8.94 O ATOM 511 CB LYS A 35 -37.103 18.585 43.764 1.00 13.81 C ATOM 512 CG LYS A 35 -36.703 19.579 42.685 1.00 18.47 C ATOM 513 CD LYS A 35 -37.456 19.256 41.401 1.00 24.22 C ATOM 514 CE LYS A 35 -38.913 19.720 41.482 1.00 26.81 C ATOM 515 NZ LYS A 35 -39.582 19.460 40.210 1.00 29.62 N ATOM 516 HA LYS A 35 -35.170 18.402 44.641 1.00 0.00 H ATOM 517 HB2 LYS A 35 -37.082 17.582 43.337 1.00 0.00 H ATOM 518 HB3 LYS A 35 -38.116 18.818 44.093 1.00 0.00 H ATOM 519 HG2 LYS A 35 -36.952 20.589 43.009 1.00 0.00 H ATOM 520 HG3 LYS A 35 -35.630 19.510 42.506 1.00 0.00 H ATOM 521 HD2 LYS A 35 -36.968 19.759 40.566 1.00 0.00 H ATOM 522 HD3 LYS A 35 -37.434 18.179 41.237 1.00 0.00 H ATOM 523 HE2 LYS A 35 -38.942 20.788 41.696 1.00 0.00 H ATOM 524 HE3 LYS A 35 -39.423 19.177 42.278 1.00 0.00 H ATOM 525 HZ1 LYS A 35 -39.095 19.979 39.451 1.00 0.00 H ATOM 526 HZ2 LYS A 35 -39.554 18.440 40.007 1.00 0.00 H ATOM 527 HZ3 LYS A 35 -40.571 19.776 40.269 1.00 0.00 H ATOM 528 H LYS A 35 -37.521 17.181 45.861 1.00 0.00 H ATOM 529 N PHE A 36 -35.187 20.722 45.484 1.00 5.28 N ATOM 530 CA PHE A 36 -35.180 22.080 45.983 1.00 6.00 C ATOM 531 C PHE A 36 -35.154 23.098 44.847 1.00 4.83 C ATOM 532 O PHE A 36 -35.411 24.285 45.087 1.00 3.93 O ATOM 533 CB PHE A 36 -33.967 22.309 46.955 1.00 3.92 C ATOM 534 CG PHE A 36 -32.560 21.999 46.450 1.00 4.13 C ATOM 535 CD1 PHE A 36 -31.901 22.863 45.590 1.00 4.02 C ATOM 536 CD2 PHE A 36 -31.924 20.854 46.888 1.00 2.01 C ATOM 537 CE1 PHE A 36 -30.613 22.597 45.168 1.00 2.00 C ATOM 538 CE2 PHE A 36 -30.640 20.603 46.461 1.00 3.52 C ATOM 539 CZ PHE A 36 -29.981 21.465 45.604 1.00 2.64 C ATOM 540 HA PHE A 36 -36.106 22.228 46.539 1.00 0.00 H ATOM 541 HB2 PHE A 36 -33.981 23.360 47.245 1.00 0.00 H ATOM 542 HB3 PHE A 36 -34.137 21.688 47.835 1.00 0.00 H ATOM 543 HD2 PHE A 36 -32.430 20.161 47.560 1.00 0.00 H ATOM 544 HE2 PHE A 36 -30.131 19.703 46.807 1.00 0.00 H ATOM 545 HZ PHE A 36 -28.965 21.244 45.278 1.00 0.00 H ATOM 546 HE1 PHE A 36 -30.104 23.284 44.492 1.00 0.00 H ATOM 547 HD1 PHE A 36 -32.406 23.764 45.242 1.00 0.00 H ATOM 548 H PHE A 36 -34.334 20.332 45.035 1.00 0.00 H ATOM 549 N ASP A 37 -34.756 22.713 43.630 1.00 3.51 N ATOM 550 CA ASP A 37 -34.809 23.603 42.482 1.00 2.46 C ATOM 551 C ASP A 37 -34.530 22.847 41.191 1.00 2.00 C ATOM 552 O ASP A 37 -33.985 21.745 41.201 1.00 2.00 O ATOM 553 CB ASP A 37 -33.803 24.729 42.567 1.00 2.81 C ATOM 554 CG ASP A 37 -34.157 25.851 41.594 1.00 5.63 C ATOM 555 OD1 ASP A 37 -35.288 26.316 41.553 1.00 6.98 O ATOM 556 OD2 ASP A 37 -33.300 26.233 40.822 1.00 8.23 O ATOM 557 HA ASP A 37 -35.817 24.018 42.485 1.00 0.00 H ATOM 558 HB2 ASP A 37 -33.796 25.126 43.582 1.00 0.00 H ATOM 559 HB3 ASP A 37 -32.813 24.343 42.322 1.00 0.00 H ATOM 560 H ASP A 37 -34.397 21.746 43.501 1.00 0.00 H ATOM 561 N SER A 38 -35.000 23.378 40.077 1.00 2.74 N ATOM 562 CA SER A 38 -34.819 22.764 38.781 1.00 2.71 C ATOM 563 C SER A 38 -35.011 23.823 37.736 1.00 2.92 C ATOM 564 O SER A 38 -36.033 24.523 37.686 1.00 3.58 O ATOM 565 CB SER A 38 -35.826 21.687 38.567 1.00 3.39 C ATOM 566 OG SER A 38 -35.647 21.076 37.295 1.00 2.14 O ATOM 567 HA SER A 38 -33.822 22.327 38.721 1.00 0.00 H ATOM 568 HB2 SER A 38 -36.826 22.117 38.620 1.00 0.00 H ATOM 569 HB3 SER A 38 -35.714 20.932 39.346 1.00 0.00 H ATOM 570 HG SER A 38 -34.740 20.682 37.244 1.00 0.00 H ATOM 571 H SER A 38 -35.522 24.276 40.135 1.00 0.00 H ATOM 572 N SER A 39 -34.020 23.950 36.862 1.00 2.00 N ATOM 573 CA SER A 39 -34.179 24.802 35.711 1.00 2.97 C ATOM 574 C SER A 39 -35.117 24.138 34.694 1.00 3.84 C ATOM 575 O SER A 39 -35.720 24.808 33.848 1.00 2.88 O ATOM 576 CB SER A 39 -32.837 25.051 35.094 1.00 2.00 C ATOM 577 OG SER A 39 -32.185 23.860 34.627 1.00 2.18 O ATOM 578 HA SER A 39 -34.617 25.752 36.017 1.00 0.00 H ATOM 579 HB2 SER A 39 -32.198 25.523 35.840 1.00 0.00 H ATOM 580 HB3 SER A 39 -32.967 25.726 34.248 1.00 0.00 H ATOM 581 HG SER A 39 -32.749 23.424 33.940 1.00 0.00 H ATOM 582 H SER A 39 -33.129 23.434 37.008 1.00 0.00 H ATOM 583 N ARG A 40 -35.292 22.800 34.755 1.00 5.90 N ATOM 584 CA ARG A 40 -36.158 22.070 33.824 1.00 3.59 C ATOM 585 C ARG A 40 -37.585 22.506 34.127 1.00 6.26 C ATOM 586 O ARG A 40 -38.385 22.598 33.210 1.00 8.83 O ATOM 587 CB ARG A 40 -35.992 20.581 34.027 1.00 2.00 C ATOM 588 CG ARG A 40 -34.607 20.087 33.646 1.00 5.79 C ATOM 589 CD ARG A 40 -34.492 18.531 33.671 1.00 7.92 C ATOM 590 NE ARG A 40 -33.179 18.053 33.219 1.00 13.40 N ATOM 591 CZ ARG A 40 -32.157 17.741 34.054 1.00 16.89 C ATOM 592 NH1 ARG A 40 -32.234 17.804 35.391 1.00 16.55 N ATOM 593 NH2 ARG A 40 -31.004 17.323 33.533 1.00 18.06 N ATOM 594 HA ARG A 40 -35.904 22.285 32.786 1.00 0.00 H ATOM 595 HB2 ARG A 40 -36.168 20.351 35.078 1.00 0.00 H ATOM 596 HB3 ARG A 40 -36.729 20.061 33.414 1.00 0.00 H ATOM 597 HG2 ARG A 40 -34.376 20.437 32.640 1.00 0.00 H ATOM 598 HG3 ARG A 40 -33.884 20.501 34.348 1.00 0.00 H ATOM 599 HD2 ARG A 40 -35.259 18.114 33.019 1.00 0.00 H ATOM 600 HD3 ARG A 40 -34.657 18.185 34.691 1.00 0.00 H ATOM 601 HE ARG A 40 -33.023 17.947 32.196 1.00 0.00 H ATOM 602 HH12 ARG A 40 -31.410 17.550 35.972 1.00 0.00 H ATOM 603 HH11 ARG A 40 -33.118 18.107 35.847 1.00 0.00 H ATOM 604 HH22 ARG A 40 -30.209 17.079 34.158 1.00 0.00 H ATOM 605 HH21 ARG A 40 -30.899 17.241 32.502 1.00 0.00 H ATOM 606 H ARG A 40 -34.791 22.265 35.493 1.00 0.00 H ATOM 607 N ASP A 41 -37.908 22.901 35.368 1.00 5.84 N ATOM 608 CA ASP A 41 -39.239 23.379 35.725 1.00 5.90 C ATOM 609 C ASP A 41 -39.498 24.766 35.124 1.00 5.75 C ATOM 610 O ASP A 41 -40.631 25.129 34.799 1.00 4.96 O ATOM 611 CB ASP A 41 -39.420 23.461 37.273 1.00 4.31 C ATOM 612 CG ASP A 41 -39.369 22.145 38.050 1.00 7.46 C ATOM 613 OD1 ASP A 41 -39.575 21.070 37.480 1.00 8.47 O ATOM 614 OD2 ASP A 41 -39.092 22.188 39.243 1.00 8.78 O ATOM 615 HA ASP A 41 -39.954 22.662 35.320 1.00 0.00 H ATOM 616 HB2 ASP A 41 -38.631 24.104 37.663 1.00 0.00 H ATOM 617 HB3 ASP A 41 -40.389 23.920 37.467 1.00 0.00 H ATOM 618 H ASP A 41 -37.178 22.865 36.107 1.00 0.00 H ATOM 619 N ARG A 42 -38.425 25.557 35.027 1.00 5.81 N ATOM 620 CA ARG A 42 -38.437 26.864 34.416 1.00 4.85 C ATOM 621 C ARG A 42 -38.363 26.822 32.903 1.00 6.30 C ATOM 622 O ARG A 42 -38.717 27.797 32.229 1.00 2.98 O ATOM 623 CB ARG A 42 -37.269 27.697 34.896 1.00 6.16 C ATOM 624 CG ARG A 42 -37.316 27.772 36.400 1.00 6.58 C ATOM 625 CD ARG A 42 -36.416 28.863 36.883 1.00 6.54 C ATOM 626 NE ARG A 42 -34.968 28.690 36.790 1.00 8.34 N ATOM 627 CZ ARG A 42 -34.254 28.016 37.700 1.00 9.26 C ATOM 628 NH1 ARG A 42 -34.845 27.348 38.665 1.00 8.30 N ATOM 629 NH2 ARG A 42 -32.928 27.933 37.596 1.00 9.91 N ATOM 630 HA ARG A 42 -39.389 27.304 34.712 1.00 0.00 H ATOM 631 HB2 ARG A 42 -36.334 27.235 34.580 1.00 0.00 H ATOM 632 HB3 ARG A 42 -37.336 28.701 34.476 1.00 0.00 H ATOM 633 HG2 ARG A 42 -38.337 27.977 36.720 1.00 0.00 H ATOM 634 HG3 ARG A 42 -36.989 26.821 36.820 1.00 0.00 H ATOM 635 HD2 ARG A 42 -36.650 29.026 37.935 1.00 0.00 H ATOM 636 HD3 ARG A 42 -36.667 29.758 36.313 1.00 0.00 H ATOM 637 HE ARG A 42 -34.469 29.110 35.980 1.00 0.00 H ATOM 638 HH12 ARG A 42 -34.275 26.830 39.364 1.00 0.00 H ATOM 639 HH11 ARG A 42 -35.883 27.337 38.730 1.00 0.00 H ATOM 640 HH22 ARG A 42 -32.382 27.407 38.308 1.00 0.00 H ATOM 641 HH21 ARG A 42 -32.439 28.394 36.803 1.00 0.00 H ATOM 642 H ARG A 42 -37.526 25.209 35.416 1.00 0.00 H ATOM 643 N ASN A 43 -37.839 25.712 32.367 1.00 8.09 N ATOM 644 CA ASN A 43 -37.631 25.537 30.946 1.00 9.30 C ATOM 645 C ASN A 43 -36.752 26.661 30.425 1.00 10.86 C ATOM 646 O ASN A 43 -37.058 27.394 29.488 1.00 9.86 O ATOM 647 CB ASN A 43 -38.966 25.552 30.271 1.00 12.18 C ATOM 648 CG ASN A 43 -38.846 25.227 28.803 1.00 19.69 C ATOM 649 OD1 ASN A 43 -38.246 24.211 28.412 1.00 25.14 O ATOM 650 ND2 ASN A 43 -39.378 26.106 27.964 1.00 19.50 N ATOM 651 HA ASN A 43 -37.133 24.589 30.741 1.00 0.00 H ATOM 652 HB2 ASN A 43 -39.612 24.814 30.746 1.00 0.00 H ATOM 653 HB3 ASN A 43 -39.407 26.543 30.380 1.00 0.00 H ATOM 654 HD22 ASN A 43 -39.872 26.944 28.333 1.00 0.00 H ATOM 655 HD21 ASN A 43 -39.301 25.958 26.938 1.00 0.00 H ATOM 656 H ASN A 43 -37.568 24.936 33.005 1.00 0.00 H ATOM 657 N LYS A 44 -35.677 26.881 31.157 1.00 11.49 N ATOM 658 CA LYS A 44 -34.730 27.918 30.821 1.00 10.73 C ATOM 659 C LYS A 44 -33.429 27.376 31.385 1.00 9.30 C ATOM 660 O LYS A 44 -33.390 27.183 32.593 1.00 8.49 O ATOM 661 CB LYS A 44 -35.147 29.171 31.530 1.00 15.45 C ATOM 662 CG LYS A 44 -34.371 30.433 31.218 1.00 18.31 C ATOM 663 CD LYS A 44 -34.971 31.470 32.135 1.00 19.69 C ATOM 664 CE LYS A 44 -34.621 32.822 31.551 1.00 22.76 C ATOM 665 NZ LYS A 44 -33.202 33.121 31.575 1.00 23.50 N ATOM 666 HA LYS A 44 -34.654 28.154 29.760 1.00 0.00 H ATOM 667 HB2 LYS A 44 -36.191 29.358 31.280 1.00 0.00 H ATOM 668 HB3 LYS A 44 -35.058 28.987 32.601 1.00 0.00 H ATOM 669 HG2 LYS A 44 -33.310 30.297 31.428 1.00 0.00 H ATOM 670 HG3 LYS A 44 -34.499 30.718 30.174 1.00 0.00 H ATOM 671 HD2 LYS A 44 -36.053 31.349 32.182 1.00 0.00 H ATOM 672 HD3 LYS A 44 -34.552 31.373 33.137 1.00 0.00 H ATOM 673 HE2 LYS A 44 -35.144 33.589 32.122 1.00 0.00 H ATOM 674 HE3 LYS A 44 -34.960 32.848 30.515 1.00 0.00 H ATOM 675 HZ1 LYS A 44 -32.864 33.112 32.558 1.00 0.00 H ATOM 676 HZ2 LYS A 44 -32.688 32.404 31.024 1.00 0.00 H ATOM 677 HZ3 LYS A 44 -33.040 34.061 31.160 1.00 0.00 H ATOM 678 H LYS A 44 -35.507 26.293 31.998 1.00 0.00 H ATOM 679 N PRO A 45 -32.418 26.971 30.601 1.00 8.69 N ATOM 680 CA PRO A 45 -31.114 26.506 31.064 1.00 5.21 C ATOM 681 C PRO A 45 -30.436 27.624 31.829 1.00 2.65 C ATOM 682 O PRO A 45 -30.561 28.804 31.516 1.00 2.00 O ATOM 683 CB PRO A 45 -30.324 26.155 29.836 1.00 4.69 C ATOM 684 CG PRO A 45 -31.372 25.935 28.785 1.00 6.39 C ATOM 685 CD PRO A 45 -32.444 26.960 29.138 1.00 9.28 C ATOM 686 HA PRO A 45 -31.198 25.643 31.725 1.00 0.00 H ATOM 687 HD3 PRO A 45 -32.197 27.942 28.734 1.00 0.00 H ATOM 688 HD2 PRO A 45 -33.420 26.651 28.765 1.00 0.00 H ATOM 689 HG3 PRO A 45 -31.769 24.921 28.835 1.00 0.00 H ATOM 690 HG2 PRO A 45 -30.970 26.117 27.788 1.00 0.00 H ATOM 691 HB2 PRO A 45 -29.658 26.971 29.556 1.00 0.00 H ATOM 692 HB3 PRO A 45 -29.739 25.250 29.996 1.00 0.00 H ATOM 693 N PHE A 46 -29.587 27.196 32.721 1.00 2.08 N ATOM 694 CA PHE A 46 -28.864 28.054 33.626 1.00 2.00 C ATOM 695 C PHE A 46 -27.510 28.176 32.962 1.00 2.00 C ATOM 696 O PHE A 46 -26.987 27.207 32.422 1.00 2.00 O ATOM 697 CB PHE A 46 -28.822 27.349 35.004 1.00 2.00 C ATOM 698 CG PHE A 46 -27.975 28.098 36.017 1.00 2.28 C ATOM 699 CD1 PHE A 46 -28.490 29.195 36.667 1.00 2.00 C ATOM 700 CD2 PHE A 46 -26.669 27.706 36.214 1.00 2.00 C ATOM 701 CE1 PHE A 46 -27.705 29.935 37.526 1.00 2.92 C ATOM 702 CE2 PHE A 46 -25.880 28.442 37.065 1.00 4.27 C ATOM 703 CZ PHE A 46 -26.387 29.558 37.724 1.00 4.80 C ATOM 704 HA PHE A 46 -29.292 29.040 33.806 1.00 0.00 H ATOM 705 HB2 PHE A 46 -29.839 27.272 35.388 1.00 0.00 H ATOM 706 HB3 PHE A 46 -28.407 26.349 34.873 1.00 0.00 H ATOM 707 HD2 PHE A 46 -26.269 26.829 35.705 1.00 0.00 H ATOM 708 HE2 PHE A 46 -24.843 28.148 37.226 1.00 0.00 H ATOM 709 HZ PHE A 46 -25.749 30.134 38.394 1.00 0.00 H ATOM 710 HE1 PHE A 46 -28.115 30.803 38.041 1.00 0.00 H ATOM 711 HD1 PHE A 46 -29.528 29.482 36.502 1.00 0.00 H ATOM 712 H PHE A 46 -29.421 26.171 32.784 1.00 0.00 H ATOM 713 N LYS A 47 -26.907 29.347 33.012 1.00 2.00 N ATOM 714 CA LYS A 47 -25.599 29.530 32.400 1.00 2.00 C ATOM 715 C LYS A 47 -24.643 29.963 33.489 1.00 4.17 C ATOM 716 O LYS A 47 -25.064 30.742 34.340 1.00 2.00 O ATOM 717 CB LYS A 47 -25.588 30.642 31.366 1.00 2.70 C ATOM 718 CG LYS A 47 -26.609 30.401 30.269 1.00 5.14 C ATOM 719 CD LYS A 47 -26.391 31.389 29.129 1.00 8.53 C ATOM 720 CE LYS A 47 -27.356 30.835 28.114 1.00 13.28 C ATOM 721 NZ LYS A 47 -27.110 31.510 26.876 1.00 16.65 N ATOM 722 HA LYS A 47 -25.327 28.592 31.917 1.00 0.00 H ATOM 723 HB2 LYS A 47 -25.817 31.586 31.860 1.00 0.00 H ATOM 724 HB3 LYS A 47 -24.596 30.699 30.919 1.00 0.00 H ATOM 725 HG2 LYS A 47 -26.501 29.384 29.892 1.00 0.00 H ATOM 726 HG3 LYS A 47 -27.612 30.532 30.674 1.00 0.00 H ATOM 727 HD2 LYS A 47 -26.650 32.407 29.420 1.00 0.00 H ATOM 728 HD3 LYS A 47 -25.364 31.367 28.765 1.00 0.00 H ATOM 729 HE2 LYS A 47 -28.381 31.013 28.438 1.00 0.00 H ATOM 730 HE3 LYS A 47 -27.195 29.764 27.993 1.00 0.00 H ATOM 731 HZ1 LYS A 47 -27.261 32.531 27.003 1.00 0.00 H ATOM 732 HZ2 LYS A 47 -26.129 31.338 26.578 1.00 0.00 H ATOM 733 HZ3 LYS A 47 -27.762 31.150 26.151 1.00 0.00 H ATOM 734 H LYS A 47 -27.369 30.146 33.492 1.00 0.00 H ATOM 735 N PHE A 48 -23.389 29.529 33.498 1.00 3.11 N ATOM 736 CA PHE A 48 -22.398 30.061 34.428 1.00 2.49 C ATOM 737 C PHE A 48 -21.057 29.969 33.712 1.00 2.00 C ATOM 738 O PHE A 48 -20.887 29.097 32.867 1.00 2.00 O ATOM 739 CB PHE A 48 -22.336 29.239 35.731 1.00 2.00 C ATOM 740 CG PHE A 48 -21.839 27.799 35.600 1.00 2.00 C ATOM 741 CD1 PHE A 48 -22.695 26.799 35.187 1.00 2.00 C ATOM 742 CD2 PHE A 48 -20.524 27.527 35.895 1.00 2.00 C ATOM 743 CE1 PHE A 48 -22.196 25.527 35.074 1.00 2.00 C ATOM 744 CE2 PHE A 48 -20.033 26.249 35.780 1.00 2.00 C ATOM 745 CZ PHE A 48 -20.877 25.253 35.369 1.00 2.00 C ATOM 746 HA PHE A 48 -22.656 31.083 34.708 1.00 0.00 H ATOM 747 HB2 PHE A 48 -21.671 29.759 36.421 1.00 0.00 H ATOM 748 HB3 PHE A 48 -23.341 29.207 36.152 1.00 0.00 H ATOM 749 HD2 PHE A 48 -19.866 28.332 36.223 1.00 0.00 H ATOM 750 HE2 PHE A 48 -18.990 26.032 36.012 1.00 0.00 H ATOM 751 HZ PHE A 48 -20.503 24.234 35.274 1.00 0.00 H ATOM 752 HE1 PHE A 48 -22.852 24.720 34.746 1.00 0.00 H ATOM 753 HD1 PHE A 48 -23.739 27.014 34.957 1.00 0.00 H ATOM 754 H PHE A 48 -23.105 28.790 32.824 1.00 0.00 H ATOM 755 N MET A 49 -20.077 30.798 33.985 1.00 2.00 N ATOM 756 CA MET A 49 -18.776 30.650 33.381 1.00 2.00 C ATOM 757 C MET A 49 -17.877 29.815 34.269 1.00 3.47 C ATOM 758 O MET A 49 -17.704 30.131 35.439 1.00 3.13 O ATOM 759 CB MET A 49 -18.191 32.026 33.165 1.00 4.22 C ATOM 760 CG MET A 49 -16.763 32.033 32.629 1.00 2.00 C ATOM 761 SD MET A 49 -16.034 33.655 32.369 1.00 6.64 S ATOM 762 CE MET A 49 -17.181 34.183 31.158 1.00 7.07 C ATOM 763 HA MET A 49 -18.863 30.137 32.423 1.00 0.00 H ATOM 764 HB2 MET A 49 -18.824 32.557 32.454 1.00 0.00 H ATOM 765 HB3 MET A 49 -18.199 32.552 34.119 1.00 0.00 H ATOM 766 HG2 MET A 49 -16.761 31.508 31.674 1.00 0.00 H ATOM 767 HG3 MET A 49 -16.136 31.494 33.339 1.00 0.00 H ATOM 768 HE1 MET A 49 -17.144 33.506 30.305 1.00 0.00 H ATOM 769 HE2 MET A 49 -18.185 34.179 31.584 1.00 0.00 H ATOM 770 HE3 MET A 49 -16.927 35.192 30.834 1.00 0.00 H ATOM 771 H MET A 49 -20.242 31.579 34.652 1.00 0.00 H ATOM 772 N LEU A 50 -17.260 28.771 33.763 1.00 4.12 N ATOM 773 CA LEU A 50 -16.314 27.976 34.487 1.00 4.81 C ATOM 774 C LEU A 50 -15.061 28.803 34.837 1.00 5.86 C ATOM 775 O LEU A 50 -14.509 29.584 34.047 1.00 2.97 O ATOM 776 CB LEU A 50 -16.015 26.751 33.606 1.00 9.00 C ATOM 777 CG LEU A 50 -15.263 25.632 34.269 1.00 7.69 C ATOM 778 CD1 LEU A 50 -16.177 24.959 35.257 1.00 10.43 C ATOM 779 CD2 LEU A 50 -14.835 24.603 33.275 1.00 8.75 C ATOM 780 HA LEU A 50 -16.705 27.643 35.448 1.00 0.00 H ATOM 781 HB2 LEU A 50 -16.967 26.352 33.255 1.00 0.00 H ATOM 782 HB3 LEU A 50 -15.427 27.089 32.753 1.00 0.00 H ATOM 783 HG LEU A 50 -14.381 26.052 34.753 1.00 0.00 H ATOM 784 HD21 LEU A 50 -15.714 24.187 32.783 1.00 0.00 H ATOM 785 HD22 LEU A 50 -14.186 25.066 32.532 1.00 0.00 H ATOM 786 HD23 LEU A 50 -14.294 23.808 33.787 1.00 0.00 H ATOM 787 HD11 LEU A 50 -16.499 25.684 36.004 1.00 0.00 H ATOM 788 HD12 LEU A 50 -17.047 24.563 34.734 1.00 0.00 H ATOM 789 HD13 LEU A 50 -15.644 24.144 35.746 1.00 0.00 H ATOM 790 H LEU A 50 -17.471 28.507 32.780 1.00 0.00 H ATOM 791 N GLY A 51 -14.686 28.745 36.127 1.00 6.80 N ATOM 792 CA GLY A 51 -13.528 29.451 36.616 1.00 6.37 C ATOM 793 C GLY A 51 -13.880 30.777 37.231 1.00 7.07 C ATOM 794 O GLY A 51 -13.046 31.359 37.907 1.00 8.05 O ATOM 795 HA3 GLY A 51 -12.845 29.621 35.784 1.00 0.00 H ATOM 796 HA2 GLY A 51 -13.035 28.836 37.369 1.00 0.00 H ATOM 797 H GLY A 51 -15.247 28.174 36.791 1.00 0.00 H ATOM 798 N LYS A 52 -15.080 31.313 37.081 1.00 6.94 N ATOM 799 CA LYS A 52 -15.441 32.623 37.586 1.00 7.94 C ATOM 800 C LYS A 52 -15.763 32.629 39.088 1.00 8.56 C ATOM 801 O LYS A 52 -16.061 33.676 39.669 1.00 7.09 O ATOM 802 CB LYS A 52 -16.625 33.076 36.821 1.00 9.75 C ATOM 803 CG LYS A 52 -16.826 34.548 36.597 1.00 13.17 C ATOM 804 CD LYS A 52 -18.260 34.699 36.136 1.00 15.33 C ATOM 805 CE LYS A 52 -18.334 35.515 34.867 1.00 17.26 C ATOM 806 NZ LYS A 52 -19.733 35.817 34.619 1.00 19.58 N ATOM 807 HA LYS A 52 -14.588 33.289 37.459 1.00 0.00 H ATOM 808 HB2 LYS A 52 -16.570 32.607 35.838 1.00 0.00 H ATOM 809 HB3 LYS A 52 -17.506 32.709 37.348 1.00 0.00 H ATOM 810 HG2 LYS A 52 -16.664 35.100 37.523 1.00 0.00 H ATOM 811 HG3 LYS A 52 -16.140 34.914 35.833 1.00 0.00 H ATOM 812 HD2 LYS A 52 -18.682 33.711 35.951 1.00 0.00 H ATOM 813 HD3 LYS A 52 -18.835 35.198 36.916 1.00 0.00 H ATOM 814 HE2 LYS A 52 -17.923 34.945 34.034 1.00 0.00 H ATOM 815 HE3 LYS A 52 -17.769 36.440 34.986 1.00 0.00 H ATOM 816 HZ1 LYS A 52 -20.264 34.929 34.511 1.00 0.00 H ATOM 817 HZ2 LYS A 52 -20.117 36.357 35.420 1.00 0.00 H ATOM 818 HZ3 LYS A 52 -19.816 36.380 33.749 1.00 0.00 H ATOM 819 H LYS A 52 -15.804 30.765 36.573 1.00 0.00 H ATOM 820 N GLN A 53 -15.696 31.457 39.722 1.00 7.99 N ATOM 821 CA GLN A 53 -16.068 31.274 41.108 1.00 9.75 C ATOM 822 C GLN A 53 -17.514 31.693 41.360 1.00 9.30 C ATOM 823 O GLN A 53 -17.781 32.390 42.337 1.00 8.64 O ATOM 824 CB GLN A 53 -15.101 32.084 41.988 1.00 10.67 C ATOM 825 CG GLN A 53 -13.662 31.624 41.854 1.00 12.65 C ATOM 826 CD GLN A 53 -12.653 32.640 42.375 1.00 11.95 C ATOM 827 OE1 GLN A 53 -11.471 32.556 42.037 1.00 12.47 O ATOM 828 NE2 GLN A 53 -13.026 33.573 43.240 1.00 8.53 N ATOM 829 HA GLN A 53 -15.998 30.216 41.360 1.00 0.00 H ATOM 830 HB2 GLN A 53 -15.160 33.133 41.698 1.00 0.00 H ATOM 831 HB3 GLN A 53 -15.405 31.979 43.029 1.00 0.00 H ATOM 832 HG2 GLN A 53 -13.541 30.697 42.415 1.00 0.00 H ATOM 833 HG3 GLN A 53 -13.454 31.439 40.800 1.00 0.00 H ATOM 834 HE22 GLN A 53 -14.023 33.647 43.528 1.00 0.00 H ATOM 835 HE21 GLN A 53 -12.322 34.231 43.631 1.00 0.00 H ATOM 836 H GLN A 53 -15.358 30.629 39.191 1.00 0.00 H ATOM 837 N GLU A 54 -18.493 31.319 40.522 1.00 8.74 N ATOM 838 CA GLU A 54 -19.852 31.806 40.761 1.00 7.04 C ATOM 839 C GLU A 54 -20.896 30.744 41.086 1.00 4.75 C ATOM 840 O GLU A 54 -22.076 30.976 41.291 1.00 3.70 O ATOM 841 CB GLU A 54 -20.257 32.622 39.561 1.00 5.60 C ATOM 842 CG GLU A 54 -20.793 31.854 38.358 1.00 5.90 C ATOM 843 CD GLU A 54 -21.295 32.846 37.326 1.00 8.24 C ATOM 844 OE1 GLU A 54 -22.071 33.749 37.656 1.00 7.55 O ATOM 845 OE2 GLU A 54 -20.890 32.697 36.176 1.00 6.61 O ATOM 846 HA GLU A 54 -19.821 32.402 41.673 1.00 0.00 H ATOM 847 HB2 GLU A 54 -21.033 33.318 39.881 1.00 0.00 H ATOM 848 HB3 GLU A 54 -19.382 33.182 39.232 1.00 0.00 H ATOM 849 HG2 GLU A 54 -19.997 31.248 37.926 1.00 0.00 H ATOM 850 HG3 GLU A 54 -21.612 31.206 38.672 1.00 0.00 H ATOM 851 H GLU A 54 -18.289 30.694 39.716 1.00 0.00 H ATOM 852 N VAL A 55 -20.437 29.516 41.112 1.00 4.01 N ATOM 853 CA VAL A 55 -21.245 28.383 41.496 1.00 3.75 C ATOM 854 C VAL A 55 -20.382 27.648 42.513 1.00 3.45 C ATOM 855 O VAL A 55 -19.190 27.962 42.620 1.00 3.62 O ATOM 856 CB VAL A 55 -21.538 27.466 40.297 1.00 2.00 C ATOM 857 CG1 VAL A 55 -22.376 28.223 39.321 1.00 2.00 C ATOM 858 CG2 VAL A 55 -20.238 26.983 39.642 1.00 5.19 C ATOM 859 HA VAL A 55 -22.215 28.688 41.888 1.00 0.00 H ATOM 860 HB VAL A 55 -22.074 26.579 40.636 1.00 0.00 H ATOM 861 HG11 VAL A 55 -23.308 28.522 39.800 1.00 0.00 H ATOM 862 HG12 VAL A 55 -21.835 29.110 38.990 1.00 0.00 H ATOM 863 HG13 VAL A 55 -22.594 27.588 38.462 1.00 0.00 H ATOM 864 HG21 VAL A 55 -19.667 27.843 39.293 1.00 0.00 H ATOM 865 HG22 VAL A 55 -19.650 26.427 40.372 1.00 0.00 H ATOM 866 HG23 VAL A 55 -20.477 26.337 38.797 1.00 0.00 H ATOM 867 H VAL A 55 -19.446 29.351 40.844 1.00 0.00 H ATOM 868 N ILE A 56 -20.975 26.723 43.276 1.00 4.23 N ATOM 869 CA ILE A 56 -20.277 25.890 44.238 1.00 4.83 C ATOM 870 C ILE A 56 -19.188 25.070 43.619 1.00 5.25 C ATOM 871 O ILE A 56 -19.284 24.634 42.459 1.00 2.50 O ATOM 872 CB ILE A 56 -21.136 24.849 44.959 1.00 7.17 C ATOM 873 CG1 ILE A 56 -22.265 24.231 44.137 1.00 6.08 C ATOM 874 CG2 ILE A 56 -21.530 25.574 46.209 1.00 7.75 C ATOM 875 CD1 ILE A 56 -22.698 22.832 44.601 1.00 7.33 C ATOM 876 HA ILE A 56 -19.914 26.644 44.936 1.00 0.00 H ATOM 877 HB ILE A 56 -20.599 23.924 45.172 1.00 0.00 H ATOM 878 HG12 ILE A 56 -23.130 24.892 44.195 1.00 0.00 H ATOM 879 HG13 ILE A 56 -21.933 24.159 43.101 1.00 0.00 H ATOM 880 HD11 ILE A 56 -21.849 22.151 44.538 1.00 0.00 H ATOM 881 HD12 ILE A 56 -23.048 22.885 45.632 1.00 0.00 H ATOM 882 HD13 ILE A 56 -23.503 22.471 43.961 1.00 0.00 H ATOM 883 HG21 ILE A 56 -20.634 25.847 46.767 1.00 0.00 H ATOM 884 HG22 ILE A 56 -22.084 26.475 45.946 1.00 0.00 H ATOM 885 HG23 ILE A 56 -22.157 24.926 46.821 1.00 0.00 H ATOM 886 H ILE A 56 -22.002 26.592 43.173 1.00 0.00 H ATOM 887 N ARG A 57 -18.197 24.769 44.457 1.00 6.28 N ATOM 888 CA ARG A 57 -17.013 24.035 44.008 1.00 7.40 C ATOM 889 C ARG A 57 -17.356 22.691 43.342 1.00 7.25 C ATOM 890 O ARG A 57 -16.753 22.286 42.337 1.00 6.57 O ATOM 891 CB ARG A 57 -16.079 23.802 45.203 1.00 9.79 C ATOM 892 CG ARG A 57 -14.724 23.335 44.787 1.00 12.61 C ATOM 893 CD ARG A 57 -14.071 23.090 46.085 1.00 20.74 C ATOM 894 NE ARG A 57 -12.733 22.526 45.970 1.00 25.97 N ATOM 895 CZ ARG A 57 -12.052 22.215 47.094 1.00 28.49 C ATOM 896 NH1 ARG A 57 -12.588 22.413 48.322 1.00 28.36 N ATOM 897 NH2 ARG A 57 -10.814 21.709 46.996 1.00 29.29 N ATOM 898 HA ARG A 57 -16.521 24.644 43.249 1.00 0.00 H ATOM 899 HB2 ARG A 57 -15.973 24.738 45.752 1.00 0.00 H ATOM 900 HB3 ARG A 57 -16.524 23.049 45.853 1.00 0.00 H ATOM 901 HG2 ARG A 57 -14.784 22.422 44.195 1.00 0.00 H ATOM 902 HG3 ARG A 57 -14.198 24.101 44.218 1.00 0.00 H ATOM 903 HD2 ARG A 57 -14.689 22.397 46.656 1.00 0.00 H ATOM 904 HD3 ARG A 57 -14.001 24.037 46.619 1.00 0.00 H ATOM 905 HE ARG A 57 -12.308 22.365 45.035 1.00 0.00 H ATOM 906 HH12 ARG A 57 -12.044 22.166 49.173 1.00 0.00 H ATOM 907 HH11 ARG A 57 -13.544 22.813 48.414 1.00 0.00 H ATOM 908 HH22 ARG A 57 -10.282 21.466 47.856 1.00 0.00 H ATOM 909 HH21 ARG A 57 -10.386 21.559 46.060 1.00 0.00 H ATOM 910 H ARG A 57 -18.266 25.062 45.452 1.00 0.00 H ATOM 911 N GLY A 58 -18.358 21.976 43.834 1.00 5.19 N ATOM 912 CA GLY A 58 -18.723 20.699 43.255 1.00 6.34 C ATOM 913 C GLY A 58 -19.195 20.829 41.805 1.00 5.00 C ATOM 914 O GLY A 58 -19.048 19.885 41.050 1.00 3.23 O ATOM 915 HA3 GLY A 58 -19.527 20.263 43.847 1.00 0.00 H ATOM 916 HA2 GLY A 58 -17.855 20.041 43.283 1.00 0.00 H ATOM 917 H GLY A 58 -18.892 22.338 44.650 1.00 0.00 H ATOM 918 N TRP A 59 -19.751 21.983 41.395 1.00 5.74 N ATOM 919 CA TRP A 59 -20.186 22.245 40.021 1.00 6.44 C ATOM 920 C TRP A 59 -18.950 22.554 39.184 1.00 7.08 C ATOM 921 O TRP A 59 -18.732 21.929 38.162 1.00 6.49 O ATOM 922 CB TRP A 59 -21.122 23.429 40.006 1.00 3.89 C ATOM 923 CG TRP A 59 -22.550 22.965 40.072 1.00 6.40 C ATOM 924 CD1 TRP A 59 -22.986 22.134 41.065 1.00 7.60 C ATOM 925 CD2 TRP A 59 -23.514 23.256 39.153 1.00 5.02 C ATOM 926 NE1 TRP A 59 -24.230 21.896 40.760 1.00 8.59 N ATOM 927 CE2 TRP A 59 -24.576 22.537 39.639 1.00 8.47 C ATOM 928 CE3 TRP A 59 -23.633 23.985 38.010 1.00 6.16 C ATOM 929 CZ2 TRP A 59 -25.792 22.526 38.993 1.00 9.01 C ATOM 930 CZ3 TRP A 59 -24.836 23.984 37.350 1.00 6.45 C ATOM 931 CH2 TRP A 59 -25.904 23.262 37.834 1.00 9.72 C ATOM 932 HA TRP A 59 -20.709 21.379 39.615 1.00 0.00 H ATOM 933 HB2 TRP A 59 -20.910 24.066 40.865 1.00 0.00 H ATOM 934 HB3 TRP A 59 -20.970 23.997 39.088 1.00 0.00 H ATOM 935 HE1 TRP A 59 -24.868 21.289 41.314 1.00 0.00 H ATOM 936 HD1 TRP A 59 -22.422 21.756 41.918 1.00 0.00 H ATOM 937 HZ2 TRP A 59 -26.635 21.956 39.384 1.00 0.00 H ATOM 938 HH2 TRP A 59 -26.850 23.273 37.293 1.00 0.00 H ATOM 939 HZ3 TRP A 59 -24.948 24.561 36.432 1.00 0.00 H ATOM 940 HE3 TRP A 59 -22.789 24.558 37.626 1.00 0.00 H ATOM 941 H TRP A 59 -19.880 22.738 42.099 1.00 0.00 H ATOM 942 N GLU A 60 -18.072 23.452 39.622 1.00 8.26 N ATOM 943 CA GLU A 60 -16.803 23.742 38.950 1.00 9.15 C ATOM 944 C GLU A 60 -16.034 22.471 38.657 1.00 8.83 C ATOM 945 O GLU A 60 -15.622 22.218 37.529 1.00 9.14 O ATOM 946 CB GLU A 60 -15.951 24.597 39.822 1.00 10.97 C ATOM 947 CG GLU A 60 -16.477 25.981 39.982 1.00 18.79 C ATOM 948 CD GLU A 60 -15.956 26.980 38.970 1.00 21.87 C ATOM 949 OE1 GLU A 60 -14.893 26.762 38.380 1.00 26.86 O ATOM 950 OE2 GLU A 60 -16.590 28.018 38.813 1.00 25.67 O ATOM 951 HA GLU A 60 -17.038 24.251 38.015 1.00 0.00 H ATOM 952 HB2 GLU A 60 -15.889 24.134 40.807 1.00 0.00 H ATOM 953 HB3 GLU A 60 -14.954 24.653 39.385 1.00 0.00 H ATOM 954 HG2 GLU A 60 -17.563 25.944 39.894 1.00 0.00 H ATOM 955 HG3 GLU A 60 -16.207 26.334 40.977 1.00 0.00 H ATOM 956 H GLU A 60 -18.299 23.978 40.490 1.00 0.00 H ATOM 957 N GLU A 61 -15.880 21.608 39.666 1.00 7.83 N ATOM 958 CA GLU A 61 -15.140 20.383 39.496 1.00 8.04 C ATOM 959 C GLU A 61 -15.900 19.289 38.749 1.00 4.78 C ATOM 960 O GLU A 61 -15.296 18.539 37.991 1.00 5.95 O ATOM 961 CB GLU A 61 -14.749 19.869 40.844 1.00 10.70 C ATOM 962 CG GLU A 61 -13.956 20.906 41.606 1.00 17.89 C ATOM 963 CD GLU A 61 -12.520 20.560 41.983 1.00 22.54 C ATOM 964 OE1 GLU A 61 -11.995 19.526 41.541 1.00 27.78 O ATOM 965 OE2 GLU A 61 -11.924 21.348 42.728 1.00 26.16 O ATOM 966 HA GLU A 61 -14.273 20.626 38.882 1.00 0.00 H ATOM 967 HB2 GLU A 61 -15.649 19.622 41.407 1.00 0.00 H ATOM 968 HB3 GLU A 61 -14.141 18.973 40.722 1.00 0.00 H ATOM 969 HG2 GLU A 61 -13.925 21.807 40.994 1.00 0.00 H ATOM 970 HG3 GLU A 61 -14.495 21.115 42.530 1.00 0.00 H ATOM 971 H GLU A 61 -16.302 21.825 40.591 1.00 0.00 H ATOM 972 N GLY A 62 -17.215 19.222 38.900 1.00 2.58 N ATOM 973 CA GLY A 62 -18.015 18.157 38.353 1.00 4.42 C ATOM 974 C GLY A 62 -18.395 18.416 36.919 1.00 4.68 C ATOM 975 O GLY A 62 -18.289 17.535 36.065 1.00 5.66 O ATOM 976 HA3 GLY A 62 -18.924 18.059 38.946 1.00 0.00 H ATOM 977 HA2 GLY A 62 -17.447 17.228 38.405 1.00 0.00 H ATOM 978 H GLY A 62 -17.691 19.974 39.439 1.00 0.00 H ATOM 979 N VAL A 63 -18.802 19.634 36.607 1.00 3.77 N ATOM 980 CA VAL A 63 -19.214 19.929 35.258 1.00 3.54 C ATOM 981 C VAL A 63 -17.962 19.955 34.368 1.00 4.11 C ATOM 982 O VAL A 63 -18.052 19.637 33.182 1.00 5.28 O ATOM 983 CB VAL A 63 -20.001 21.282 35.231 1.00 3.05 C ATOM 984 CG1 VAL A 63 -20.545 21.529 33.809 1.00 2.00 C ATOM 985 CG2 VAL A 63 -21.276 21.194 36.051 1.00 2.00 C ATOM 986 HA VAL A 63 -19.890 19.165 34.874 1.00 0.00 H ATOM 987 HB VAL A 63 -19.312 22.044 35.595 1.00 0.00 H ATOM 988 HG11 VAL A 63 -19.713 21.577 33.106 1.00 0.00 H ATOM 989 HG12 VAL A 63 -21.212 20.713 33.530 1.00 0.00 H ATOM 990 HG13 VAL A 63 -21.093 22.471 33.790 1.00 0.00 H ATOM 991 HG21 VAL A 63 -21.916 20.411 35.643 1.00 0.00 H ATOM 992 HG22 VAL A 63 -21.026 20.958 37.085 1.00 0.00 H ATOM 993 HG23 VAL A 63 -21.799 22.150 36.011 1.00 0.00 H ATOM 994 H VAL A 63 -18.825 20.378 37.333 1.00 0.00 H ATOM 995 N ALA A 64 -16.755 20.245 34.838 1.00 3.19 N ATOM 996 CA ALA A 64 -15.576 20.230 33.982 1.00 3.81 C ATOM 997 C ALA A 64 -15.181 18.826 33.514 1.00 4.78 C ATOM 998 O ALA A 64 -14.380 18.645 32.598 1.00 7.41 O ATOM 999 CB ALA A 64 -14.402 20.860 34.726 1.00 4.32 C ATOM 1000 HA ALA A 64 -15.829 20.802 33.089 1.00 0.00 H ATOM 1001 HB1 ALA A 64 -14.649 21.889 34.988 1.00 0.00 H ATOM 1002 HB2 ALA A 64 -14.201 20.291 35.634 1.00 0.00 H ATOM 1003 HB3 ALA A 64 -13.520 20.849 34.086 1.00 0.00 H ATOM 1004 H ALA A 64 -16.648 20.489 35.843 1.00 0.00 H ATOM 1005 N GLN A 65 -15.775 17.783 34.068 1.00 4.13 N ATOM 1006 CA GLN A 65 -15.475 16.422 33.699 1.00 3.41 C ATOM 1007 C GLN A 65 -16.481 15.909 32.692 1.00 2.01 C ATOM 1008 O GLN A 65 -16.384 14.776 32.221 1.00 2.94 O ATOM 1009 CB GLN A 65 -15.530 15.532 34.930 1.00 2.81 C ATOM 1010 CG GLN A 65 -14.531 15.918 36.017 1.00 4.10 C ATOM 1011 CD GLN A 65 -14.582 15.018 37.253 1.00 2.74 C ATOM 1012 OE1 GLN A 65 -14.585 13.796 37.217 1.00 2.02 O ATOM 1013 NE2 GLN A 65 -14.625 15.629 38.408 1.00 5.42 N ATOM 1014 HA GLN A 65 -14.478 16.401 33.260 1.00 0.00 H ATOM 1015 HB2 GLN A 65 -16.534 15.589 35.350 1.00 0.00 H ATOM 1016 HB3 GLN A 65 -15.324 14.507 34.622 1.00 0.00 H ATOM 1017 HG2 GLN A 65 -13.527 15.866 35.595 1.00 0.00 H ATOM 1018 HG3 GLN A 65 -14.740 16.941 36.328 1.00 0.00 H ATOM 1019 HE22 GLN A 65 -14.623 16.668 38.447 1.00 0.00 H ATOM 1020 HE21 GLN A 65 -14.661 15.076 39.288 1.00 0.00 H ATOM 1021 H GLN A 65 -16.491 17.952 34.803 1.00 0.00 H ATOM 1022 N MET A 66 -17.484 16.709 32.379 1.00 2.46 N ATOM 1023 CA MET A 66 -18.581 16.298 31.524 1.00 2.44 C ATOM 1024 C MET A 66 -18.318 16.801 30.116 1.00 2.55 C ATOM 1025 O MET A 66 -17.659 17.827 29.950 1.00 2.00 O ATOM 1026 CB MET A 66 -19.871 16.888 32.046 1.00 2.30 C ATOM 1027 CG MET A 66 -20.318 16.174 33.312 1.00 2.00 C ATOM 1028 SD MET A 66 -21.742 17.092 33.899 1.00 2.30 S ATOM 1029 CE MET A 66 -22.911 16.370 32.773 1.00 2.00 C ATOM 1030 HA MET A 66 -18.663 15.211 31.516 1.00 0.00 H ATOM 1031 HB2 MET A 66 -19.718 17.944 32.266 1.00 0.00 H ATOM 1032 HB3 MET A 66 -20.645 16.785 31.285 1.00 0.00 H ATOM 1033 HG2 MET A 66 -19.523 16.185 34.057 1.00 0.00 H ATOM 1034 HG3 MET A 66 -20.593 15.143 33.092 1.00 0.00 H ATOM 1035 HE1 MET A 66 -22.604 16.579 31.748 1.00 0.00 H ATOM 1036 HE2 MET A 66 -22.947 15.292 32.930 1.00 0.00 H ATOM 1037 HE3 MET A 66 -23.898 16.797 32.952 1.00 0.00 H ATOM 1038 H MET A 66 -17.487 17.676 32.762 1.00 0.00 H ATOM 1039 N SER A 67 -18.792 16.083 29.093 1.00 4.20 N ATOM 1040 CA SER A 67 -18.605 16.496 27.702 1.00 3.71 C ATOM 1041 C SER A 67 -19.953 16.963 27.204 1.00 3.58 C ATOM 1042 O SER A 67 -20.981 16.580 27.775 1.00 4.45 O ATOM 1043 CB SER A 67 -18.094 15.337 26.837 1.00 2.00 C ATOM 1044 OG SER A 67 -18.852 14.134 26.791 1.00 2.00 O ATOM 1045 HA SER A 67 -17.859 17.288 27.640 1.00 0.00 H ATOM 1046 HB2 SER A 67 -17.101 15.077 27.203 1.00 0.00 H ATOM 1047 HB3 SER A 67 -18.018 15.708 25.815 1.00 0.00 H ATOM 1048 HG SER A 67 -18.923 13.755 27.703 1.00 0.00 H ATOM 1049 H SER A 67 -19.310 15.203 29.292 1.00 0.00 H ATOM 1050 N VAL A 68 -20.001 17.770 26.148 1.00 3.46 N ATOM 1051 CA VAL A 68 -21.255 18.318 25.660 1.00 2.66 C ATOM 1052 C VAL A 68 -22.185 17.193 25.263 1.00 2.94 C ATOM 1053 O VAL A 68 -21.774 16.186 24.693 1.00 3.14 O ATOM 1054 CB VAL A 68 -20.914 19.277 24.508 1.00 2.78 C ATOM 1055 CG1 VAL A 68 -22.210 19.762 23.876 1.00 2.00 C ATOM 1056 CG2 VAL A 68 -20.108 20.484 25.030 1.00 2.00 C ATOM 1057 HA VAL A 68 -21.788 18.881 26.426 1.00 0.00 H ATOM 1058 HB VAL A 68 -20.308 18.752 23.769 1.00 0.00 H ATOM 1059 HG11 VAL A 68 -22.768 18.907 23.494 1.00 0.00 H ATOM 1060 HG12 VAL A 68 -22.806 20.281 24.626 1.00 0.00 H ATOM 1061 HG13 VAL A 68 -21.981 20.444 23.057 1.00 0.00 H ATOM 1062 HG21 VAL A 68 -20.698 21.019 25.774 1.00 0.00 H ATOM 1063 HG22 VAL A 68 -19.182 20.132 25.484 1.00 0.00 H ATOM 1064 HG23 VAL A 68 -19.876 21.151 24.200 1.00 0.00 H ATOM 1065 H VAL A 68 -19.117 18.015 25.658 1.00 0.00 H ATOM 1066 N GLY A 69 -23.414 17.314 25.737 1.00 4.07 N ATOM 1067 CA GLY A 69 -24.422 16.281 25.534 1.00 2.90 C ATOM 1068 C GLY A 69 -24.606 15.327 26.684 1.00 2.11 C ATOM 1069 O GLY A 69 -25.638 14.642 26.750 1.00 2.00 O ATOM 1070 HA3 GLY A 69 -24.138 15.700 24.657 1.00 0.00 H ATOM 1071 HA2 GLY A 69 -25.377 16.773 25.348 1.00 0.00 H ATOM 1072 H GLY A 69 -23.668 18.170 26.270 1.00 0.00 H ATOM 1073 N GLN A 70 -23.620 15.244 27.596 1.00 2.95 N ATOM 1074 CA GLN A 70 -23.676 14.318 28.745 1.00 2.43 C ATOM 1075 C GLN A 70 -24.669 14.766 29.808 1.00 2.35 C ATOM 1076 O GLN A 70 -24.838 15.961 30.065 1.00 2.01 O ATOM 1077 CB GLN A 70 -22.294 14.183 29.392 1.00 2.00 C ATOM 1078 CG GLN A 70 -22.157 13.050 30.408 1.00 2.03 C ATOM 1079 CD GLN A 70 -20.744 12.918 30.922 1.00 3.33 C ATOM 1080 OE1 GLN A 70 -19.846 13.618 30.422 1.00 5.23 O ATOM 1081 NE2 GLN A 70 -20.455 12.041 31.880 1.00 2.63 N ATOM 1082 HA GLN A 70 -24.008 13.358 28.350 1.00 0.00 H ATOM 1083 HB2 GLN A 70 -21.565 14.015 28.599 1.00 0.00 H ATOM 1084 HB3 GLN A 70 -22.066 15.120 29.900 1.00 0.00 H ATOM 1085 HG2 GLN A 70 -22.821 13.250 31.249 1.00 0.00 H ATOM 1086 HG3 GLN A 70 -22.447 12.113 29.932 1.00 0.00 H ATOM 1087 HE22 GLN A 70 -21.209 11.457 32.296 1.00 0.00 H ATOM 1088 HE21 GLN A 70 -19.475 11.939 32.213 1.00 0.00 H ATOM 1089 H GLN A 70 -22.786 15.856 27.487 1.00 0.00 H ATOM 1090 N ARG A 71 -25.384 13.789 30.362 1.00 3.31 N ATOM 1091 CA ARG A 71 -26.276 14.006 31.470 1.00 3.09 C ATOM 1092 C ARG A 71 -25.704 13.125 32.537 1.00 2.18 C ATOM 1093 O ARG A 71 -25.406 11.943 32.315 1.00 2.00 O ATOM 1094 CB ARG A 71 -27.679 13.568 31.151 1.00 3.48 C ATOM 1095 CG ARG A 71 -28.643 13.954 32.257 1.00 4.77 C ATOM 1096 CD ARG A 71 -30.019 13.651 31.706 1.00 7.42 C ATOM 1097 NE ARG A 71 -30.976 14.047 32.712 1.00 11.40 N ATOM 1098 CZ ARG A 71 -32.296 14.148 32.511 1.00 13.10 C ATOM 1099 NH1 ARG A 71 -32.859 13.896 31.323 1.00 11.83 N ATOM 1100 NH2 ARG A 71 -33.069 14.475 33.560 1.00 12.71 N ATOM 1101 HA ARG A 71 -26.347 15.058 31.745 1.00 0.00 H ATOM 1102 HB2 ARG A 71 -27.996 14.042 30.222 1.00 0.00 H ATOM 1103 HB3 ARG A 71 -27.694 12.485 31.029 1.00 0.00 H ATOM 1104 HG2 ARG A 71 -28.452 13.365 33.154 1.00 0.00 H ATOM 1105 HG3 ARG A 71 -28.550 15.014 32.493 1.00 0.00 H ATOM 1106 HD2 ARG A 71 -30.113 12.585 31.499 1.00 0.00 H ATOM 1107 HD3 ARG A 71 -30.187 14.214 30.788 1.00 0.00 H ATOM 1108 HE ARG A 71 -30.614 14.270 33.661 1.00 0.00 H ATOM 1109 HH12 ARG A 71 -33.889 13.985 31.206 1.00 0.00 H ATOM 1110 HH11 ARG A 71 -32.267 13.611 30.517 1.00 0.00 H ATOM 1111 HH22 ARG A 71 -34.098 14.562 33.440 1.00 0.00 H ATOM 1112 HH21 ARG A 71 -32.638 14.641 34.492 1.00 0.00 H ATOM 1113 H ARG A 71 -25.294 12.827 29.977 1.00 0.00 H ATOM 1114 N ALA A 72 -25.509 13.750 33.697 1.00 3.45 N ATOM 1115 CA ALA A 72 -24.883 13.106 34.840 1.00 3.40 C ATOM 1116 C ALA A 72 -25.453 13.503 36.218 1.00 3.71 C ATOM 1117 O ALA A 72 -26.075 14.550 36.430 1.00 2.14 O ATOM 1118 CB ALA A 72 -23.383 13.433 34.812 1.00 3.83 C ATOM 1119 HA ALA A 72 -25.089 12.041 34.737 1.00 0.00 H ATOM 1120 HB1 ALA A 72 -22.948 13.059 33.885 1.00 0.00 H ATOM 1121 HB2 ALA A 72 -23.247 14.513 34.868 1.00 0.00 H ATOM 1122 HB3 ALA A 72 -22.893 12.959 35.662 1.00 0.00 H ATOM 1123 H ALA A 72 -25.817 14.739 33.789 1.00 0.00 H ATOM 1124 N LYS A 73 -25.321 12.609 37.159 1.00 4.57 N ATOM 1125 CA LYS A 73 -25.708 12.876 38.528 1.00 6.03 C ATOM 1126 C LYS A 73 -24.431 13.185 39.298 1.00 4.54 C ATOM 1127 O LYS A 73 -23.468 12.399 39.343 1.00 3.33 O ATOM 1128 CB LYS A 73 -26.415 11.647 39.048 1.00 9.01 C ATOM 1129 CG LYS A 73 -27.093 11.798 40.387 1.00 10.97 C ATOM 1130 CD LYS A 73 -27.493 10.373 40.722 1.00 14.55 C ATOM 1131 CE LYS A 73 -28.194 10.400 42.056 1.00 18.92 C ATOM 1132 NZ LYS A 73 -28.232 9.070 42.628 1.00 21.66 N ATOM 1133 HA LYS A 73 -26.387 13.723 38.630 1.00 0.00 H ATOM 1134 HB2 LYS A 73 -27.174 11.363 38.319 1.00 0.00 H ATOM 1135 HB3 LYS A 73 -25.678 10.848 39.134 1.00 0.00 H ATOM 1136 HG2 LYS A 73 -26.406 12.199 41.132 1.00 0.00 H ATOM 1137 HG3 LYS A 73 -27.967 12.445 40.314 1.00 0.00 H ATOM 1138 HD2 LYS A 73 -28.165 9.985 39.956 1.00 0.00 H ATOM 1139 HD3 LYS A 73 -26.607 9.741 40.780 1.00 0.00 H ATOM 1140 HE2 LYS A 73 -29.213 10.763 41.920 1.00 0.00 H ATOM 1141 HE3 LYS A 73 -27.658 11.067 42.731 1.00 0.00 H ATOM 1142 HZ1 LYS A 73 -28.745 8.432 41.986 1.00 0.00 H ATOM 1143 HZ2 LYS A 73 -27.261 8.723 42.760 1.00 0.00 H ATOM 1144 HZ3 LYS A 73 -28.718 9.103 43.547 1.00 0.00 H ATOM 1145 H LYS A 73 -24.926 11.677 36.918 1.00 0.00 H ATOM 1146 N LEU A 74 -24.434 14.375 39.891 1.00 5.39 N ATOM 1147 CA LEU A 74 -23.346 14.904 40.688 1.00 5.75 C ATOM 1148 C LEU A 74 -23.699 14.797 42.171 1.00 5.41 C ATOM 1149 O LEU A 74 -24.627 15.464 42.624 1.00 4.50 O ATOM 1150 CB LEU A 74 -23.067 16.391 40.324 1.00 4.32 C ATOM 1151 CG LEU A 74 -22.709 16.816 38.869 1.00 3.90 C ATOM 1152 CD1 LEU A 74 -21.989 18.160 38.850 1.00 3.62 C ATOM 1153 CD2 LEU A 74 -21.727 15.866 38.274 1.00 5.02 C ATOM 1154 HA LEU A 74 -22.448 14.322 40.480 1.00 0.00 H ATOM 1155 HB2 LEU A 74 -23.963 16.949 40.597 1.00 0.00 H ATOM 1156 HB3 LEU A 74 -22.236 16.712 40.952 1.00 0.00 H ATOM 1157 HG LEU A 74 -23.652 16.846 38.323 1.00 0.00 H ATOM 1158 HD21 LEU A 74 -20.818 15.861 38.876 1.00 0.00 H ATOM 1159 HD22 LEU A 74 -22.158 14.865 38.255 1.00 0.00 H ATOM 1160 HD23 LEU A 74 -21.490 16.180 37.258 1.00 0.00 H ATOM 1161 HD11 LEU A 74 -22.634 18.922 39.287 1.00 0.00 H ATOM 1162 HD12 LEU A 74 -21.068 18.086 39.428 1.00 0.00 H ATOM 1163 HD13 LEU A 74 -21.752 18.429 37.821 1.00 0.00 H ATOM 1164 H LEU A 74 -25.279 14.970 39.774 1.00 0.00 H ATOM 1165 N THR A 75 -23.050 13.924 42.930 1.00 4.42 N ATOM 1166 CA THR A 75 -23.262 13.913 44.378 1.00 5.77 C ATOM 1167 C THR A 75 -22.111 14.733 44.967 1.00 4.73 C ATOM 1168 O THR A 75 -20.934 14.410 44.785 1.00 7.13 O ATOM 1169 CB THR A 75 -23.254 12.462 44.918 1.00 5.19 C ATOM 1170 OG1 THR A 75 -24.246 11.761 44.189 1.00 5.73 O ATOM 1171 CG2 THR A 75 -23.509 12.383 46.422 1.00 5.36 C ATOM 1172 HA THR A 75 -24.229 14.335 44.652 1.00 0.00 H ATOM 1173 HB THR A 75 -22.267 12.020 44.781 1.00 0.00 H ATOM 1174 HG1 THR A 75 -24.023 11.783 43.225 1.00 0.00 H ATOM 1175 HG23 THR A 75 -22.729 12.931 46.951 1.00 0.00 H ATOM 1176 HG21 THR A 75 -24.481 12.822 46.648 1.00 0.00 H ATOM 1177 HG22 THR A 75 -23.498 11.339 46.737 1.00 0.00 H ATOM 1178 H THR A 75 -22.390 13.247 42.496 1.00 0.00 H ATOM 1179 N ILE A 76 -22.428 15.808 45.678 1.00 4.34 N ATOM 1180 CA ILE A 76 -21.485 16.785 46.188 1.00 3.21 C ATOM 1181 C ILE A 76 -21.540 16.806 47.721 1.00 5.44 C ATOM 1182 O ILE A 76 -22.594 17.042 48.334 1.00 3.60 O ATOM 1183 CB ILE A 76 -21.891 18.123 45.550 1.00 3.16 C ATOM 1184 CG1 ILE A 76 -21.831 17.983 44.021 1.00 2.00 C ATOM 1185 CG2 ILE A 76 -21.015 19.248 46.080 1.00 2.39 C ATOM 1186 CD1 ILE A 76 -22.521 19.151 43.314 1.00 2.00 C ATOM 1187 HA ILE A 76 -20.450 16.555 45.935 1.00 0.00 H ATOM 1188 HB ILE A 76 -22.915 18.382 45.820 1.00 0.00 H ATOM 1189 HG12 ILE A 76 -20.787 17.950 43.711 1.00 0.00 H ATOM 1190 HG13 ILE A 76 -22.324 17.055 43.732 1.00 0.00 H ATOM 1191 HD11 ILE A 76 -23.568 19.188 43.613 1.00 0.00 H ATOM 1192 HD12 ILE A 76 -22.030 20.084 43.592 1.00 0.00 H ATOM 1193 HD13 ILE A 76 -22.455 19.011 42.235 1.00 0.00 H ATOM 1194 HG21 ILE A 76 -21.132 19.319 47.161 1.00 0.00 H ATOM 1195 HG22 ILE A 76 -19.973 19.040 45.839 1.00 0.00 H ATOM 1196 HG23 ILE A 76 -21.315 20.189 45.618 1.00 0.00 H ATOM 1197 H ILE A 76 -23.435 15.962 45.887 1.00 0.00 H ATOM 1198 N SER A 77 -20.386 16.571 48.349 1.00 5.35 N ATOM 1199 CA SER A 77 -20.280 16.627 49.810 1.00 5.56 C ATOM 1200 C SER A 77 -20.402 18.084 50.297 1.00 4.39 C ATOM 1201 O SER A 77 -20.076 19.001 49.540 1.00 2.01 O ATOM 1202 CB SER A 77 -18.927 16.013 50.267 1.00 5.26 C ATOM 1203 OG SER A 77 -17.740 16.663 49.787 1.00 7.83 O ATOM 1204 HA SER A 77 -21.093 16.048 50.247 1.00 0.00 H ATOM 1205 HB2 SER A 77 -18.900 14.978 49.927 1.00 0.00 H ATOM 1206 HB3 SER A 77 -18.902 16.037 51.356 1.00 0.00 H ATOM 1207 HG SER A 77 -16.943 16.192 50.137 1.00 0.00 H ATOM 1208 H SER A 77 -19.541 16.342 47.788 1.00 0.00 H ATOM 1209 N PRO A 78 -20.855 18.392 51.524 1.00 3.89 N ATOM 1210 CA PRO A 78 -21.111 19.751 52.028 1.00 4.29 C ATOM 1211 C PRO A 78 -19.979 20.749 51.852 1.00 2.88 C ATOM 1212 O PRO A 78 -20.195 21.909 51.578 1.00 2.00 O ATOM 1213 CB PRO A 78 -21.455 19.574 53.507 1.00 4.30 C ATOM 1214 CG PRO A 78 -21.965 18.150 53.593 1.00 3.77 C ATOM 1215 CD PRO A 78 -21.251 17.385 52.499 1.00 4.36 C ATOM 1216 HA PRO A 78 -21.914 20.193 51.439 1.00 0.00 H ATOM 1217 HD3 PRO A 78 -20.375 16.874 52.899 1.00 0.00 H ATOM 1218 HD2 PRO A 78 -21.920 16.654 52.044 1.00 0.00 H ATOM 1219 HG3 PRO A 78 -23.043 18.123 53.433 1.00 0.00 H ATOM 1220 HG2 PRO A 78 -21.733 17.722 54.568 1.00 0.00 H ATOM 1221 HB2 PRO A 78 -20.571 19.708 54.130 1.00 0.00 H ATOM 1222 HB3 PRO A 78 -22.225 20.282 53.814 1.00 0.00 H ATOM 1223 N ASP A 79 -18.742 20.331 52.022 1.00 3.08 N ATOM 1224 CA ASP A 79 -17.600 21.188 51.910 1.00 7.93 C ATOM 1225 C ASP A 79 -17.301 21.557 50.470 1.00 7.98 C ATOM 1226 O ASP A 79 -16.462 22.429 50.220 1.00 7.96 O ATOM 1227 CB ASP A 79 -16.371 20.509 52.564 1.00 12.94 C ATOM 1228 CG ASP A 79 -15.936 19.168 51.994 1.00 19.69 C ATOM 1229 OD1 ASP A 79 -16.781 18.307 51.762 1.00 21.69 O ATOM 1230 OD2 ASP A 79 -14.736 18.971 51.791 1.00 25.28 O ATOM 1231 HA ASP A 79 -17.826 22.116 52.435 1.00 0.00 H ATOM 1232 HB2 ASP A 79 -15.529 21.194 52.471 1.00 0.00 H ATOM 1233 HB3 ASP A 79 -16.601 20.359 53.619 1.00 0.00 H ATOM 1234 H ASP A 79 -18.586 19.328 52.249 1.00 0.00 H ATOM 1235 N TYR A 80 -17.942 20.875 49.514 1.00 7.17 N ATOM 1236 CA TYR A 80 -17.864 21.245 48.105 1.00 6.83 C ATOM 1237 C TYR A 80 -19.147 21.962 47.738 1.00 4.81 C ATOM 1238 O TYR A 80 -19.372 22.259 46.576 1.00 3.99 O ATOM 1239 CB TYR A 80 -17.745 20.024 47.225 1.00 7.15 C ATOM 1240 CG TYR A 80 -16.298 19.679 47.038 1.00 11.11 C ATOM 1241 CD1 TYR A 80 -15.497 19.359 48.123 1.00 14.35 C ATOM 1242 CD2 TYR A 80 -15.801 19.682 45.768 1.00 11.24 C ATOM 1243 CE1 TYR A 80 -14.171 19.040 47.913 1.00 14.86 C ATOM 1244 CE2 TYR A 80 -14.484 19.364 45.558 1.00 13.81 C ATOM 1245 CZ TYR A 80 -13.684 19.049 46.624 1.00 14.69 C ATOM 1246 OH TYR A 80 -12.370 18.735 46.377 1.00 16.05 O ATOM 1247 HA TYR A 80 -16.987 21.874 47.955 1.00 0.00 H ATOM 1248 HB3 TYR A 80 -18.198 20.230 46.255 1.00 0.00 H ATOM 1249 HB2 TYR A 80 -18.260 19.186 47.695 1.00 0.00 H ATOM 1250 HD2 TYR A 80 -16.446 19.935 44.926 1.00 0.00 H ATOM 1251 HE2 TYR A 80 -14.076 19.362 44.547 1.00 0.00 H ATOM 1252 HE1 TYR A 80 -13.521 18.786 48.751 1.00 0.00 H ATOM 1253 HD1 TYR A 80 -15.910 19.359 49.132 1.00 0.00 H ATOM 1254 HH TYR A 80 -11.914 18.530 47.232 1.00 0.00 H ATOM 1255 H TYR A 80 -18.516 20.052 49.785 1.00 0.00 H ATOM 1256 N ALA A 81 -20.029 22.238 48.683 1.00 3.31 N ATOM 1257 CA ALA A 81 -21.265 22.885 48.407 1.00 2.70 C ATOM 1258 C ALA A 81 -21.416 24.013 49.432 1.00 3.04 C ATOM 1259 O ALA A 81 -20.617 24.963 49.404 1.00 4.74 O ATOM 1260 CB ALA A 81 -22.383 21.823 48.478 1.00 2.00 C ATOM 1261 HA ALA A 81 -21.316 23.329 47.413 1.00 0.00 H ATOM 1262 HB1 ALA A 81 -22.191 21.045 47.739 1.00 0.00 H ATOM 1263 HB2 ALA A 81 -22.401 21.383 49.475 1.00 0.00 H ATOM 1264 HB3 ALA A 81 -23.344 22.294 48.270 1.00 0.00 H ATOM 1265 H ALA A 81 -19.811 21.972 49.665 1.00 0.00 H ATOM 1266 N TYR A 82 -22.352 24.005 50.369 1.00 2.00 N ATOM 1267 CA TYR A 82 -22.592 25.158 51.216 1.00 2.90 C ATOM 1268 C TYR A 82 -22.089 24.984 52.646 1.00 3.25 C ATOM 1269 O TYR A 82 -22.402 25.768 53.539 1.00 3.26 O ATOM 1270 CB TYR A 82 -24.093 25.405 51.179 1.00 3.48 C ATOM 1271 CG TYR A 82 -24.599 25.795 49.804 1.00 2.51 C ATOM 1272 CD1 TYR A 82 -24.357 27.082 49.318 1.00 4.33 C ATOM 1273 CD2 TYR A 82 -25.255 24.860 49.027 1.00 3.50 C ATOM 1274 CE1 TYR A 82 -24.770 27.433 48.037 1.00 4.31 C ATOM 1275 CE2 TYR A 82 -25.679 25.199 47.750 1.00 2.91 C ATOM 1276 CZ TYR A 82 -25.422 26.468 47.288 1.00 5.48 C ATOM 1277 OH TYR A 82 -25.805 26.782 46.019 1.00 8.34 O ATOM 1278 HA TYR A 82 -22.030 26.012 50.839 1.00 0.00 H ATOM 1279 HB3 TYR A 82 -24.330 26.208 51.877 1.00 0.00 H ATOM 1280 HB2 TYR A 82 -24.602 24.493 51.490 1.00 0.00 H ATOM 1281 HD2 TYR A 82 -25.439 23.859 49.416 1.00 0.00 H ATOM 1282 HE2 TYR A 82 -26.204 24.475 47.127 1.00 0.00 H ATOM 1283 HE1 TYR A 82 -24.587 28.431 47.638 1.00 0.00 H ATOM 1284 HD1 TYR A 82 -23.844 27.812 49.944 1.00 0.00 H ATOM 1285 HH TYR A 82 -25.558 27.721 45.824 1.00 0.00 H ATOM 1286 H TYR A 82 -22.930 23.150 50.501 1.00 0.00 H ATOM 1287 N GLY A 83 -21.327 23.934 52.881 1.00 4.11 N ATOM 1288 CA GLY A 83 -20.735 23.583 54.163 1.00 5.17 C ATOM 1289 C GLY A 83 -21.698 23.668 55.329 1.00 6.83 C ATOM 1290 O GLY A 83 -22.826 23.176 55.377 1.00 3.70 O ATOM 1291 HA3 GLY A 83 -19.904 24.261 54.354 1.00 0.00 H ATOM 1292 HA2 GLY A 83 -20.361 22.561 54.100 1.00 0.00 H ATOM 1293 H GLY A 83 -21.132 23.301 52.079 1.00 0.00 H ATOM 1294 N ALA A 84 -21.173 24.367 56.315 1.00 9.28 N ATOM 1295 CA ALA A 84 -21.863 24.607 57.562 1.00 11.55 C ATOM 1296 C ALA A 84 -22.975 25.644 57.483 1.00 11.44 C ATOM 1297 O ALA A 84 -23.900 25.626 58.280 1.00 13.97 O ATOM 1298 CB ALA A 84 -20.822 25.041 58.611 1.00 13.51 C ATOM 1299 HA ALA A 84 -22.358 23.675 57.835 1.00 0.00 H ATOM 1300 HB1 ALA A 84 -20.083 24.250 58.737 1.00 0.00 H ATOM 1301 HB2 ALA A 84 -20.327 25.952 58.274 1.00 0.00 H ATOM 1302 HB3 ALA A 84 -21.322 25.228 59.561 1.00 0.00 H ATOM 1303 H ALA A 84 -20.220 24.764 56.190 1.00 0.00 H ATOM 1304 N THR A 85 -22.930 26.596 56.579 1.00 12.15 N ATOM 1305 CA THR A 85 -23.927 27.652 56.430 1.00 9.70 C ATOM 1306 C THR A 85 -25.262 27.188 55.904 1.00 9.05 C ATOM 1307 O THR A 85 -26.330 27.674 56.298 1.00 6.66 O ATOM 1308 CB THR A 85 -23.426 28.710 55.461 1.00 12.58 C ATOM 1309 OG1 THR A 85 -22.088 28.955 55.829 1.00 17.16 O ATOM 1310 CG2 THR A 85 -24.236 29.996 55.483 1.00 15.78 C ATOM 1311 HA THR A 85 -24.072 28.034 57.440 1.00 0.00 H ATOM 1312 HB THR A 85 -23.523 28.347 54.438 1.00 0.00 H ATOM 1313 HG1 THR A 85 -21.702 29.642 55.229 1.00 0.00 H ATOM 1314 HG23 THR A 85 -25.265 29.781 55.195 1.00 0.00 H ATOM 1315 HG21 THR A 85 -24.219 30.418 56.488 1.00 0.00 H ATOM 1316 HG22 THR A 85 -23.803 30.709 54.781 1.00 0.00 H ATOM 1317 H THR A 85 -22.125 26.598 55.921 1.00 0.00 H ATOM 1318 N GLY A 86 -25.145 26.296 54.917 1.00 8.10 N ATOM 1319 CA GLY A 86 -26.281 25.908 54.122 1.00 8.63 C ATOM 1320 C GLY A 86 -26.610 27.132 53.286 1.00 8.58 C ATOM 1321 O GLY A 86 -25.771 27.997 53.052 1.00 7.85 O ATOM 1322 HA3 GLY A 86 -27.123 25.642 54.761 1.00 0.00 H ATOM 1323 HA2 GLY A 86 -26.030 25.062 53.482 1.00 0.00 H ATOM 1324 H GLY A 86 -24.216 25.874 54.719 1.00 0.00 H ATOM 1325 N HIS A 87 -27.831 27.199 52.800 1.00 10.41 N ATOM 1326 CA HIS A 87 -28.288 28.324 52.026 1.00 10.20 C ATOM 1327 C HIS A 87 -29.611 28.611 52.707 1.00 9.46 C ATOM 1328 O HIS A 87 -30.519 27.777 52.636 1.00 5.90 O ATOM 1329 CB HIS A 87 -28.527 27.975 50.544 1.00 14.06 C ATOM 1330 CG HIS A 87 -28.852 29.211 49.707 1.00 17.84 C ATOM 1331 ND1 HIS A 87 -27.994 29.946 49.005 1.00 20.62 N ATOM 1332 CD2 HIS A 87 -30.097 29.773 49.565 1.00 18.24 C ATOM 1333 CE1 HIS A 87 -28.682 30.914 48.449 1.00 20.18 C ATOM 1334 NE2 HIS A 87 -29.939 30.808 48.789 1.00 21.12 N ATOM 1335 HA HIS A 87 -27.573 29.147 52.001 1.00 0.00 H ATOM 1336 HB2 HIS A 87 -27.628 27.506 50.144 1.00 0.00 H ATOM 1337 HB3 HIS A 87 -29.361 27.276 50.477 1.00 0.00 H ATOM 1338 HD2 HIS A 87 -31.028 29.424 50.011 1.00 0.00 H ATOM 1339 HE1 HIS A 87 -28.269 31.688 47.802 1.00 0.00 H ATOM 1340 H HIS A 87 -28.488 26.413 52.981 1.00 0.00 H ATOM 1341 N PRO A 88 -29.710 29.755 53.387 1.00 10.53 N ATOM 1342 CA PRO A 88 -30.878 30.239 54.100 1.00 11.88 C ATOM 1343 C PRO A 88 -32.231 29.795 53.586 1.00 12.84 C ATOM 1344 O PRO A 88 -32.609 30.206 52.481 1.00 13.91 O ATOM 1345 CB PRO A 88 -30.720 31.729 54.050 1.00 12.25 C ATOM 1346 CG PRO A 88 -29.248 31.900 54.244 1.00 11.45 C ATOM 1347 CD PRO A 88 -28.661 30.767 53.433 1.00 11.22 C ATOM 1348 HA PRO A 88 -30.897 29.813 55.103 1.00 0.00 H ATOM 1349 HD3 PRO A 88 -28.409 31.105 52.428 1.00 0.00 H ATOM 1350 HD2 PRO A 88 -27.768 30.372 53.916 1.00 0.00 H ATOM 1351 HG3 PRO A 88 -28.979 31.809 55.296 1.00 0.00 H ATOM 1352 HG2 PRO A 88 -28.913 32.866 53.867 1.00 0.00 H ATOM 1353 HB2 PRO A 88 -31.041 32.128 53.088 1.00 0.00 H ATOM 1354 HB3 PRO A 88 -31.283 32.213 54.848 1.00 0.00 H ATOM 1355 N GLY A 89 -32.841 28.841 54.309 1.00 13.11 N ATOM 1356 CA GLY A 89 -34.213 28.419 54.074 1.00 13.24 C ATOM 1357 C GLY A 89 -34.385 27.292 53.073 1.00 13.45 C ATOM 1358 O GLY A 89 -35.396 26.585 53.007 1.00 16.28 O ATOM 1359 HA3 GLY A 89 -34.772 29.281 53.710 1.00 0.00 H ATOM 1360 HA2 GLY A 89 -34.632 28.091 55.025 1.00 0.00 H ATOM 1361 H GLY A 89 -32.306 28.382 55.074 1.00 0.00 H ATOM 1362 N ILE A 90 -33.346 27.055 52.299 1.00 13.30 N ATOM 1363 CA ILE A 90 -33.439 26.060 51.257 1.00 10.25 C ATOM 1364 C ILE A 90 -32.494 24.905 51.505 1.00 8.46 C ATOM 1365 O ILE A 90 -32.963 23.776 51.381 1.00 8.93 O ATOM 1366 CB ILE A 90 -33.194 26.806 49.905 1.00 10.28 C ATOM 1367 CG1 ILE A 90 -34.334 27.819 49.722 1.00 14.02 C ATOM 1368 CG2 ILE A 90 -33.107 25.816 48.744 1.00 12.00 C ATOM 1369 CD1 ILE A 90 -34.503 28.638 48.426 1.00 15.80 C ATOM 1370 HA ILE A 90 -34.423 25.591 51.233 1.00 0.00 H ATOM 1371 HB ILE A 90 -32.240 27.333 49.921 1.00 0.00 H ATOM 1372 HG12 ILE A 90 -35.261 27.261 49.853 1.00 0.00 H ATOM 1373 HG13 ILE A 90 -34.230 28.544 50.529 1.00 0.00 H ATOM 1374 HD11 ILE A 90 -33.612 29.243 48.261 1.00 0.00 H ATOM 1375 HD12 ILE A 90 -34.644 27.959 47.585 1.00 0.00 H ATOM 1376 HD13 ILE A 90 -35.373 29.288 48.519 1.00 0.00 H ATOM 1377 HG21 ILE A 90 -32.282 25.125 48.918 1.00 0.00 H ATOM 1378 HG22 ILE A 90 -34.041 25.258 48.673 1.00 0.00 H ATOM 1379 HG23 ILE A 90 -32.936 26.361 47.816 1.00 0.00 H ATOM 1380 H ILE A 90 -32.461 27.583 52.438 1.00 0.00 H ATOM 1381 N ILE A 91 -31.206 25.094 51.812 1.00 5.62 N ATOM 1382 CA ILE A 91 -30.300 23.993 52.042 1.00 4.13 C ATOM 1383 C ILE A 91 -29.894 24.027 53.527 1.00 4.87 C ATOM 1384 O ILE A 91 -29.362 25.064 53.953 1.00 3.33 O ATOM 1385 CB ILE A 91 -29.024 24.129 51.139 1.00 5.55 C ATOM 1386 CG1 ILE A 91 -29.343 24.132 49.620 1.00 3.13 C ATOM 1387 CG2 ILE A 91 -28.090 22.999 51.497 1.00 3.56 C ATOM 1388 CD1 ILE A 91 -30.226 22.986 49.191 1.00 8.05 C ATOM 1389 HA ILE A 91 -30.787 23.050 51.793 1.00 0.00 H ATOM 1390 HB ILE A 91 -28.560 25.096 51.332 1.00 0.00 H ATOM 1391 HG12 ILE A 91 -29.846 25.067 49.374 1.00 0.00 H ATOM 1392 HG13 ILE A 91 -28.404 24.070 49.069 1.00 0.00 H ATOM 1393 HD11 ILE A 91 -29.731 22.042 49.420 1.00 0.00 H ATOM 1394 HD12 ILE A 91 -31.174 23.040 49.726 1.00 0.00 H ATOM 1395 HD13 ILE A 91 -30.408 23.051 48.118 1.00 0.00 H ATOM 1396 HG21 ILE A 91 -27.820 23.072 52.551 1.00 0.00 H ATOM 1397 HG22 ILE A 91 -28.587 22.046 51.313 1.00 0.00 H ATOM 1398 HG23 ILE A 91 -27.190 23.065 50.885 1.00 0.00 H ATOM 1399 H ILE A 91 -30.845 26.066 51.888 1.00 0.00 H ATOM 1400 N PRO A 92 -30.097 22.973 54.341 1.00 3.60 N ATOM 1401 CA PRO A 92 -29.637 22.899 55.708 1.00 3.99 C ATOM 1402 C PRO A 92 -28.124 22.881 55.816 1.00 3.40 C ATOM 1403 O PRO A 92 -27.454 22.510 54.839 1.00 3.45 O ATOM 1404 CB PRO A 92 -30.296 21.655 56.222 1.00 5.42 C ATOM 1405 CG PRO A 92 -30.428 20.757 55.015 1.00 4.08 C ATOM 1406 CD PRO A 92 -30.880 21.783 54.002 1.00 3.72 C ATOM 1407 HA PRO A 92 -29.902 23.776 56.298 1.00 0.00 H ATOM 1408 HD3 PRO A 92 -30.662 21.450 52.987 1.00 0.00 H ATOM 1409 HD2 PRO A 92 -31.948 21.980 54.097 1.00 0.00 H ATOM 1410 HG3 PRO A 92 -31.173 19.976 55.166 1.00 0.00 H ATOM 1411 HG2 PRO A 92 -29.477 20.301 54.739 1.00 0.00 H ATOM 1412 HB2 PRO A 92 -29.680 21.182 56.986 1.00 0.00 H ATOM 1413 HB3 PRO A 92 -31.277 21.884 56.639 1.00 0.00 H ATOM 1414 N PRO A 93 -27.516 23.239 56.958 1.00 4.32 N ATOM 1415 CA PRO A 93 -26.117 22.922 57.233 1.00 3.90 C ATOM 1416 C PRO A 93 -25.795 21.451 56.984 1.00 2.44 C ATOM 1417 O PRO A 93 -26.583 20.504 57.176 1.00 2.00 O ATOM 1418 CB PRO A 93 -25.893 23.306 58.689 1.00 4.37 C ATOM 1419 CG PRO A 93 -26.992 24.264 59.011 1.00 3.06 C ATOM 1420 CD PRO A 93 -28.159 23.711 58.192 1.00 2.00 C ATOM 1421 HA PRO A 93 -25.453 23.469 56.564 1.00 0.00 H ATOM 1422 HD3 PRO A 93 -28.649 22.890 58.716 1.00 0.00 H ATOM 1423 HD2 PRO A 93 -28.890 24.491 57.978 1.00 0.00 H ATOM 1424 HG3 PRO A 93 -26.736 25.277 58.700 1.00 0.00 H ATOM 1425 HG2 PRO A 93 -27.220 24.259 60.077 1.00 0.00 H ATOM 1426 HB2 PRO A 93 -25.951 22.427 59.330 1.00 0.00 H ATOM 1427 HB3 PRO A 93 -24.921 23.782 58.814 1.00 0.00 H ATOM 1428 N HIS A 94 -24.574 21.300 56.492 1.00 2.91 N ATOM 1429 CA HIS A 94 -23.917 20.015 56.290 1.00 3.05 C ATOM 1430 C HIS A 94 -24.681 19.039 55.427 1.00 3.20 C ATOM 1431 O HIS A 94 -24.699 17.820 55.663 1.00 3.85 O ATOM 1432 CB HIS A 94 -23.600 19.303 57.641 1.00 2.21 C ATOM 1433 CG HIS A 94 -22.615 20.092 58.468 1.00 3.66 C ATOM 1434 ND1 HIS A 94 -21.311 20.232 58.331 1.00 7.41 N ATOM 1435 CD2 HIS A 94 -22.999 20.946 59.467 1.00 5.01 C ATOM 1436 CE1 HIS A 94 -20.887 21.145 59.171 1.00 7.11 C ATOM 1437 NE2 HIS A 94 -21.919 21.564 59.845 1.00 7.20 N ATOM 1438 HA HIS A 94 -23.001 20.284 55.763 1.00 0.00 H ATOM 1439 HB2 HIS A 94 -24.525 19.189 58.206 1.00 0.00 H ATOM 1440 HB3 HIS A 94 -23.179 18.319 57.432 1.00 0.00 H ATOM 1441 HD2 HIS A 94 -24.005 21.080 59.864 1.00 0.00 H ATOM 1442 HE1 HIS A 94 -19.859 21.490 59.284 1.00 0.00 H ATOM 1443 H HIS A 94 -24.048 22.158 56.232 1.00 0.00 H ATOM 1444 N ALA A 95 -25.227 19.595 54.344 1.00 2.18 N ATOM 1445 CA ALA A 95 -26.052 18.813 53.452 1.00 3.22 C ATOM 1446 C ALA A 95 -25.269 18.299 52.241 1.00 2.80 C ATOM 1447 O ALA A 95 -24.574 19.081 51.593 1.00 2.00 O ATOM 1448 CB ALA A 95 -27.199 19.678 52.957 1.00 3.83 C ATOM 1449 HA ALA A 95 -26.417 17.950 54.009 1.00 0.00 H ATOM 1450 HB1 ALA A 95 -27.792 20.015 53.808 1.00 0.00 H ATOM 1451 HB2 ALA A 95 -26.798 20.542 52.427 1.00 0.00 H ATOM 1452 HB3 ALA A 95 -27.827 19.096 52.283 1.00 0.00 H ATOM 1453 H ALA A 95 -25.057 20.601 54.140 1.00 0.00 H ATOM 1454 N THR A 96 -25.338 17.020 51.931 1.00 3.62 N ATOM 1455 CA THR A 96 -24.772 16.458 50.700 1.00 5.43 C ATOM 1456 C THR A 96 -25.809 16.774 49.633 1.00 5.08 C ATOM 1457 O THR A 96 -27.010 16.561 49.889 1.00 5.25 O ATOM 1458 CB THR A 96 -24.593 14.928 50.849 1.00 6.33 C ATOM 1459 OG1 THR A 96 -23.589 14.738 51.835 1.00 3.92 O ATOM 1460 CG2 THR A 96 -24.192 14.226 49.561 1.00 5.84 C ATOM 1461 HA THR A 96 -23.791 16.868 50.459 1.00 0.00 H ATOM 1462 HB THR A 96 -25.550 14.488 51.128 1.00 0.00 H ATOM 1463 HG1 THR A 96 -23.437 13.769 51.967 1.00 0.00 H ATOM 1464 HG23 THR A 96 -24.967 14.377 48.810 1.00 0.00 H ATOM 1465 HG21 THR A 96 -23.250 14.640 49.201 1.00 0.00 H ATOM 1466 HG22 THR A 96 -24.072 13.160 49.752 1.00 0.00 H ATOM 1467 H THR A 96 -25.818 16.377 52.592 1.00 0.00 H ATOM 1468 N LEU A 97 -25.456 17.309 48.460 1.00 6.70 N ATOM 1469 CA LEU A 97 -26.500 17.614 47.488 1.00 5.12 C ATOM 1470 C LEU A 97 -26.299 16.732 46.279 1.00 5.05 C ATOM 1471 O LEU A 97 -25.192 16.232 46.065 1.00 6.37 O ATOM 1472 CB LEU A 97 -26.463 19.078 47.071 1.00 3.18 C ATOM 1473 CG LEU A 97 -26.841 20.226 48.035 1.00 4.67 C ATOM 1474 CD1 LEU A 97 -27.962 19.934 48.969 1.00 2.00 C ATOM 1475 CD2 LEU A 97 -25.701 20.415 48.929 1.00 6.56 C ATOM 1476 HA LEU A 97 -27.473 17.427 47.943 1.00 0.00 H ATOM 1477 HB2 LEU A 97 -25.440 19.276 46.750 1.00 0.00 H ATOM 1478 HB3 LEU A 97 -27.134 19.167 46.216 1.00 0.00 H ATOM 1479 HG LEU A 97 -27.122 21.064 47.397 1.00 0.00 H ATOM 1480 HD21 LEU A 97 -25.515 19.492 49.478 1.00 0.00 H ATOM 1481 HD22 LEU A 97 -24.820 20.675 48.342 1.00 0.00 H ATOM 1482 HD23 LEU A 97 -25.921 21.219 49.631 1.00 0.00 H ATOM 1483 HD11 LEU A 97 -28.860 19.704 48.396 1.00 0.00 H ATOM 1484 HD12 LEU A 97 -27.700 19.080 49.594 1.00 0.00 H ATOM 1485 HD13 LEU A 97 -28.144 20.805 49.599 1.00 0.00 H ATOM 1486 H LEU A 97 -24.457 17.504 48.245 1.00 0.00 H ATOM 1487 N VAL A 98 -27.386 16.494 45.543 1.00 2.73 N ATOM 1488 CA VAL A 98 -27.411 15.597 44.411 1.00 3.97 C ATOM 1489 C VAL A 98 -27.954 16.446 43.277 1.00 4.20 C ATOM 1490 O VAL A 98 -29.036 17.033 43.393 1.00 4.29 O ATOM 1491 CB VAL A 98 -28.355 14.417 44.647 1.00 2.00 C ATOM 1492 CG1 VAL A 98 -28.434 13.617 43.361 1.00 2.86 C ATOM 1493 CG2 VAL A 98 -27.860 13.544 45.793 1.00 2.00 C ATOM 1494 HA VAL A 98 -26.425 15.176 44.215 1.00 0.00 H ATOM 1495 HB VAL A 98 -29.344 14.783 44.925 1.00 0.00 H ATOM 1496 HG11 VAL A 98 -28.817 14.252 42.562 1.00 0.00 H ATOM 1497 HG12 VAL A 98 -27.440 13.258 43.096 1.00 0.00 H ATOM 1498 HG13 VAL A 98 -29.103 12.768 43.503 1.00 0.00 H ATOM 1499 HG21 VAL A 98 -26.870 13.158 45.552 1.00 0.00 H ATOM 1500 HG22 VAL A 98 -27.808 14.139 46.705 1.00 0.00 H ATOM 1501 HG23 VAL A 98 -28.550 12.713 45.939 1.00 0.00 H ATOM 1502 H VAL A 98 -28.267 16.983 45.799 1.00 0.00 H ATOM 1503 N PHE A 99 -27.205 16.578 42.197 1.00 2.85 N ATOM 1504 CA PHE A 99 -27.745 17.310 41.093 1.00 2.23 C ATOM 1505 C PHE A 99 -27.808 16.447 39.857 1.00 2.00 C ATOM 1506 O PHE A 99 -26.871 15.721 39.571 1.00 3.58 O ATOM 1507 CB PHE A 99 -26.894 18.512 40.811 1.00 2.00 C ATOM 1508 CG PHE A 99 -26.949 19.725 41.739 1.00 3.19 C ATOM 1509 CD1 PHE A 99 -26.159 19.782 42.882 1.00 2.57 C ATOM 1510 CD2 PHE A 99 -27.771 20.786 41.409 1.00 2.00 C ATOM 1511 CE1 PHE A 99 -26.200 20.906 43.680 1.00 2.00 C ATOM 1512 CE2 PHE A 99 -27.800 21.895 42.217 1.00 5.78 C ATOM 1513 CZ PHE A 99 -27.012 21.960 43.357 1.00 3.58 C ATOM 1514 HA PHE A 99 -28.755 17.625 41.356 1.00 0.00 H ATOM 1515 HB2 PHE A 99 -25.859 18.170 40.802 1.00 0.00 H ATOM 1516 HB3 PHE A 99 -27.167 18.864 39.816 1.00 0.00 H ATOM 1517 HD2 PHE A 99 -28.391 20.742 40.514 1.00 0.00 H ATOM 1518 HE2 PHE A 99 -28.448 22.733 41.961 1.00 0.00 H ATOM 1519 HZ PHE A 99 -27.039 22.845 43.992 1.00 0.00 H ATOM 1520 HE1 PHE A 99 -25.581 20.956 44.576 1.00 0.00 H ATOM 1521 HD1 PHE A 99 -25.512 18.945 43.145 1.00 0.00 H ATOM 1522 H PHE A 99 -26.253 16.163 42.151 1.00 0.00 H ATOM 1523 N ASP A 100 -28.896 16.466 39.111 1.00 3.17 N ATOM 1524 CA ASP A 100 -28.992 15.875 37.792 1.00 2.34 C ATOM 1525 C ASP A 100 -28.669 17.036 36.841 1.00 2.53 C ATOM 1526 O ASP A 100 -29.453 17.983 36.742 1.00 2.00 O ATOM 1527 CB ASP A 100 -30.398 15.402 37.595 1.00 3.91 C ATOM 1528 CG ASP A 100 -30.696 14.755 36.264 1.00 6.15 C ATOM 1529 OD1 ASP A 100 -29.945 14.903 35.294 1.00 4.21 O ATOM 1530 OD2 ASP A 100 -31.705 14.070 36.222 1.00 3.92 O ATOM 1531 HA ASP A 100 -28.328 15.025 37.632 1.00 0.00 H ATOM 1532 HB2 ASP A 100 -30.619 14.675 38.377 1.00 0.00 H ATOM 1533 HB3 ASP A 100 -31.058 16.262 37.704 1.00 0.00 H ATOM 1534 H ASP A 100 -29.740 16.936 39.495 1.00 0.00 H ATOM 1535 N VAL A 101 -27.573 16.969 36.093 1.00 2.00 N ATOM 1536 CA VAL A 101 -27.104 18.073 35.272 1.00 2.01 C ATOM 1537 C VAL A 101 -26.924 17.581 33.844 1.00 2.00 C ATOM 1538 O VAL A 101 -26.367 16.511 33.570 1.00 2.00 O ATOM 1539 CB VAL A 101 -25.763 18.593 35.841 1.00 2.00 C ATOM 1540 CG1 VAL A 101 -25.153 19.735 34.990 1.00 3.75 C ATOM 1541 CG2 VAL A 101 -26.041 19.189 37.190 1.00 2.00 C ATOM 1542 HA VAL A 101 -27.827 18.888 35.279 1.00 0.00 H ATOM 1543 HB VAL A 101 -25.069 17.752 35.860 1.00 0.00 H ATOM 1544 HG11 VAL A 101 -24.969 19.374 33.978 1.00 0.00 H ATOM 1545 HG12 VAL A 101 -25.849 20.573 34.957 1.00 0.00 H ATOM 1546 HG13 VAL A 101 -24.214 20.059 35.438 1.00 0.00 H ATOM 1547 HG21 VAL A 101 -26.752 20.008 37.084 1.00 0.00 H ATOM 1548 HG22 VAL A 101 -26.460 18.425 37.844 1.00 0.00 H ATOM 1549 HG23 VAL A 101 -25.112 19.565 37.618 1.00 0.00 H ATOM 1550 H VAL A 101 -27.025 16.085 36.095 1.00 0.00 H ATOM 1551 N GLU A 102 -27.446 18.336 32.906 1.00 2.00 N ATOM 1552 CA GLU A 102 -27.247 18.040 31.513 1.00 2.69 C ATOM 1553 C GLU A 102 -26.464 19.209 30.892 1.00 2.90 C ATOM 1554 O GLU A 102 -26.935 20.372 30.889 1.00 2.28 O ATOM 1555 CB GLU A 102 -28.608 17.864 30.873 1.00 3.91 C ATOM 1556 CG GLU A 102 -28.429 17.333 29.440 1.00 9.73 C ATOM 1557 CD GLU A 102 -29.693 17.193 28.577 1.00 14.20 C ATOM 1558 OE1 GLU A 102 -30.813 17.401 29.054 1.00 14.62 O ATOM 1559 OE2 GLU A 102 -29.538 16.872 27.394 1.00 17.52 O ATOM 1560 HA GLU A 102 -26.677 17.123 31.360 1.00 0.00 H ATOM 1561 HB2 GLU A 102 -29.195 17.154 31.455 1.00 0.00 H ATOM 1562 HB3 GLU A 102 -29.125 18.823 30.845 1.00 0.00 H ATOM 1563 HG2 GLU A 102 -27.752 18.011 28.921 1.00 0.00 H ATOM 1564 HG3 GLU A 102 -27.970 16.347 29.511 1.00 0.00 H ATOM 1565 H GLU A 102 -28.014 19.164 33.175 1.00 0.00 H ATOM 1566 N LEU A 103 -25.251 18.918 30.378 1.00 2.84 N ATOM 1567 CA LEU A 103 -24.391 19.916 29.740 1.00 3.27 C ATOM 1568 C LEU A 103 -24.871 20.006 28.279 1.00 3.26 C ATOM 1569 O LEU A 103 -24.714 19.086 27.451 1.00 2.00 O ATOM 1570 CB LEU A 103 -22.898 19.488 29.804 1.00 2.00 C ATOM 1571 CG LEU A 103 -21.895 20.524 29.197 1.00 2.20 C ATOM 1572 CD1 LEU A 103 -21.985 21.918 29.784 1.00 2.00 C ATOM 1573 CD2 LEU A 103 -20.513 20.052 29.512 1.00 3.09 C ATOM 1574 HA LEU A 103 -24.457 20.880 30.245 1.00 0.00 H ATOM 1575 HB2 LEU A 103 -22.634 19.332 30.850 1.00 0.00 H ATOM 1576 HB3 LEU A 103 -22.790 18.550 29.259 1.00 0.00 H ATOM 1577 HG LEU A 103 -22.137 20.587 28.136 1.00 0.00 H ATOM 1578 HD21 LEU A 103 -20.389 19.991 30.593 1.00 0.00 H ATOM 1579 HD22 LEU A 103 -20.357 19.068 29.071 1.00 0.00 H ATOM 1580 HD23 LEU A 103 -19.788 20.755 29.101 1.00 0.00 H ATOM 1581 HD11 LEU A 103 -22.986 22.316 29.619 1.00 0.00 H ATOM 1582 HD12 LEU A 103 -21.782 21.874 30.854 1.00 0.00 H ATOM 1583 HD13 LEU A 103 -21.252 22.563 29.300 1.00 0.00 H ATOM 1584 H LEU A 103 -24.911 17.937 30.438 1.00 0.00 H ATOM 1585 N LEU A 104 -25.600 21.092 28.047 1.00 2.00 N ATOM 1586 CA LEU A 104 -26.219 21.342 26.765 1.00 2.08 C ATOM 1587 C LEU A 104 -25.323 21.918 25.678 1.00 2.01 C ATOM 1588 O LEU A 104 -25.292 21.426 24.557 1.00 2.93 O ATOM 1589 CB LEU A 104 -27.408 22.267 26.976 1.00 2.24 C ATOM 1590 CG LEU A 104 -28.524 21.705 27.869 1.00 3.49 C ATOM 1591 CD1 LEU A 104 -29.605 22.725 28.048 1.00 4.78 C ATOM 1592 CD2 LEU A 104 -29.108 20.491 27.255 1.00 6.14 C ATOM 1593 HA LEU A 104 -26.503 20.359 26.389 1.00 0.00 H ATOM 1594 HB2 LEU A 104 -27.043 23.187 27.431 1.00 0.00 H ATOM 1595 HB3 LEU A 104 -27.838 22.492 26.000 1.00 0.00 H ATOM 1596 HG LEU A 104 -28.093 21.454 28.838 1.00 0.00 H ATOM 1597 HD21 LEU A 104 -29.524 20.743 26.279 1.00 0.00 H ATOM 1598 HD22 LEU A 104 -28.331 19.736 27.136 1.00 0.00 H ATOM 1599 HD23 LEU A 104 -29.898 20.104 27.899 1.00 0.00 H ATOM 1600 HD11 LEU A 104 -29.188 23.617 28.516 1.00 0.00 H ATOM 1601 HD12 LEU A 104 -30.022 22.985 27.075 1.00 0.00 H ATOM 1602 HD13 LEU A 104 -30.390 22.313 28.683 1.00 0.00 H ATOM 1603 H LEU A 104 -25.729 21.784 28.812 1.00 0.00 H ATOM 1604 N LYS A 105 -24.532 22.924 26.014 1.00 3.49 N ATOM 1605 CA LYS A 105 -23.816 23.733 25.045 1.00 5.39 C ATOM 1606 C LYS A 105 -22.728 24.490 25.792 1.00 5.89 C ATOM 1607 O LYS A 105 -22.764 24.597 27.030 1.00 5.80 O ATOM 1608 CB LYS A 105 -24.893 24.639 24.395 1.00 5.67 C ATOM 1609 CG LYS A 105 -24.437 25.663 23.406 1.00 12.55 C ATOM 1610 CD LYS A 105 -25.698 26.190 22.774 1.00 18.36 C ATOM 1611 CE LYS A 105 -25.273 27.290 21.809 1.00 22.96 C ATOM 1612 NZ LYS A 105 -26.430 27.778 21.066 1.00 26.10 N ATOM 1613 HA LYS A 105 -23.312 23.174 24.257 1.00 0.00 H ATOM 1614 HB2 LYS A 105 -25.602 23.987 23.885 1.00 0.00 H ATOM 1615 HB3 LYS A 105 -25.402 25.168 25.200 1.00 0.00 H ATOM 1616 HG2 LYS A 105 -23.896 26.465 23.908 1.00 0.00 H ATOM 1617 HG3 LYS A 105 -23.793 25.208 22.653 1.00 0.00 H ATOM 1618 HD2 LYS A 105 -26.210 25.393 22.235 1.00 0.00 H ATOM 1619 HD3 LYS A 105 -26.361 26.595 23.538 1.00 0.00 H ATOM 1620 HE2 LYS A 105 -24.537 26.893 21.110 1.00 0.00 H ATOM 1621 HE3 LYS A 105 -24.832 28.113 22.371 1.00 0.00 H ATOM 1622 HZ1 LYS A 105 -26.851 26.994 20.528 1.00 0.00 H ATOM 1623 HZ2 LYS A 105 -27.132 28.159 21.732 1.00 0.00 H ATOM 1624 HZ3 LYS A 105 -26.129 28.528 20.411 1.00 0.00 H ATOM 1625 H LYS A 105 -24.418 23.146 27.024 1.00 0.00 H ATOM 1626 N LEU A 106 -21.725 24.965 25.059 1.00 5.60 N ATOM 1627 CA LEU A 106 -20.638 25.760 25.599 1.00 6.80 C ATOM 1628 C LEU A 106 -20.641 26.979 24.732 1.00 9.68 C ATOM 1629 O LEU A 106 -20.697 26.826 23.501 1.00 14.04 O ATOM 1630 CB LEU A 106 -19.264 25.118 25.448 1.00 3.95 C ATOM 1631 CG LEU A 106 -18.920 23.846 26.240 1.00 3.89 C ATOM 1632 CD1 LEU A 106 -17.534 23.402 25.901 1.00 6.23 C ATOM 1633 CD2 LEU A 106 -18.896 24.116 27.724 1.00 4.48 C ATOM 1634 HA LEU A 106 -20.791 25.917 26.667 1.00 0.00 H ATOM 1635 HB2 LEU A 106 -19.144 24.874 24.392 1.00 0.00 H ATOM 1636 HB3 LEU A 106 -18.530 25.873 25.730 1.00 0.00 H ATOM 1637 HG LEU A 106 -19.675 23.102 25.986 1.00 0.00 H ATOM 1638 HD21 LEU A 106 -18.145 24.875 27.942 1.00 0.00 H ATOM 1639 HD22 LEU A 106 -19.876 24.470 28.043 1.00 0.00 H ATOM 1640 HD23 LEU A 106 -18.650 23.197 28.255 1.00 0.00 H ATOM 1641 HD11 LEU A 106 -17.472 23.192 24.833 1.00 0.00 H ATOM 1642 HD12 LEU A 106 -16.828 24.191 26.159 1.00 0.00 H ATOM 1643 HD13 LEU A 106 -17.295 22.500 26.465 1.00 0.00 H ATOM 1644 H LEU A 106 -21.720 24.755 24.041 1.00 0.00 H ATOM 1645 N GLU A 107 -20.663 28.172 25.287 1.00 9.82 N ATOM 1646 CA GLU A 107 -20.577 29.388 24.506 1.00 10.81 C ATOM 1647 C GLU A 107 -19.269 30.026 24.963 1.00 12.74 C ATOM 1648 O GLU A 107 -18.782 30.906 24.261 1.00 16.67 O ATOM 1649 CB GLU A 107 -21.740 30.325 24.804 1.00 10.18 C ATOM 1650 CG GLU A 107 -23.057 29.606 24.697 1.00 12.20 C ATOM 1651 CD GLU A 107 -24.292 30.333 25.186 1.00 16.31 C ATOM 1652 OE1 GLU A 107 -24.216 31.195 26.067 1.00 15.94 O ATOM 1653 OE2 GLU A 107 -25.361 30.021 24.668 1.00 19.11 O ATOM 1654 HA GLU A 107 -20.613 29.188 23.435 1.00 0.00 H ATOM 1655 OXT GLU A 107 -18.698 29.643 25.994 1.00 9.27 O ATOM 1656 HB2 GLU A 107 -21.630 30.719 25.814 1.00 0.00 H ATOM 1657 HB3 GLU A 107 -21.725 31.149 24.091 1.00 0.00 H ATOM 1658 HG2 GLU A 107 -23.214 29.366 23.645 1.00 0.00 H ATOM 1659 HG3 GLU A 107 -22.973 28.683 25.270 1.00 0.00 H ATOM 1660 H GLU A 107 -20.745 28.244 26.321 1.00 0.00 H TER 1661 GLU A 107 HETATM 1662 O HOH 1 -31.721 29.837 34.945 1.00 30.05 O HETATM 1663 O HOH 2 -19.071 22.942 21.402 1.00 17.75 O HETATM 1664 O HOH 3 -17.791 32.879 27.881 1.00 12.00 O HETATM 1665 O HOH 4 -29.432 6.117 32.663 1.00 19.09 O HETATM 1666 O HOH 5 -21.209 34.089 31.129 1.00 21.02 O HETATM 1667 O HOH 6 -37.818 24.209 40.641 1.00 14.08 O HETATM 1668 O HOH 7 -33.882 18.316 30.632 1.00 12.05 O HETATM 1669 O HOH 8 -22.524 36.043 36.438 1.00 11.34 O HETATM 1670 O HOH 9 -23.760 15.667 22.103 1.00 13.93 O HETATM 1671 O HOH 10 -26.533 19.175 23.399 1.00 26.60 O HETATM 1672 O HOH 11 -23.270 10.996 41.750 1.00 8.15 O HETATM 1673 O HOH 12 -14.088 23.281 24.973 1.00 2.00 O HETATM 1674 O HOH 13 -18.610 25.683 47.266 1.00 3.37 O HETATM 1675 O HOH 14 -25.050 22.864 53.603 1.00 2.00 O HETATM 1676 O HOH 15 -16.344 16.605 17.339 1.00 13.61 O HETATM 1677 O HOH 16 -30.233 24.309 42.907 1.00 32.63 O HETATM 1678 O HOH 17 -25.804 9.679 45.180 1.00 13.82 O HETATM 1679 O HOH 18 -17.792 12.601 28.790 1.00 2.00 O HETATM 1680 O HOH 19 -22.886 21.430 12.595 1.00 2.00 O HETATM 1681 O HOH 20 -28.911 15.787 51.935 1.00 3.66 O HETATM 1682 O HOH 21 -29.706 10.376 47.007 1.00 3.27 O HETATM 1683 O HOH 22 -36.726 22.097 30.505 1.00 34.15 O HETATM 1684 O HOH 23 -16.754 10.411 39.997 1.00 12.97 O HETATM 1685 O HOH 24 -28.826 27.475 57.322 1.00 2.66 O HETATM 1686 O HOH 25 -29.168 33.008 50.839 1.00 29.35 O HETATM 1687 O HOH 26 -34.078 15.770 54.865 1.00 39.36 O HETATM 1688 O HOH 27 -31.293 12.207 45.776 1.00 7.39 O HETATM 1689 O HOH 28 -35.620 23.728 27.694 1.00 6.76 O HETATM 1690 O HOH 29 -13.640 33.144 45.479 1.00 24.65 O HETATM 1691 O HOH 30 -23.828 28.123 15.851 1.00 32.64 O HETATM 1692 O HOH 31 -32.962 33.614 61.431 1.00 24.33 O HETATM 1693 O HOH 32 -23.870 33.155 27.472 1.00 24.80 O HETATM 1694 O HOH 33 -10.699 16.662 23.694 1.00 20.18 O HETATM 1695 O HOH 34 -36.644 12.574 54.201 1.00 8.09 O HETATM 1696 O HOH 35 -20.337 17.512 57.372 1.00 44.13 O HETATM 1697 O HOH 36 -12.135 30.037 27.752 1.00 19.52 O HETATM 1698 O HOH 37 -20.921 6.466 35.632 1.00 21.51 O HETATM 1699 O HOH 38 -19.311 6.861 40.045 1.00 26.49 O HETATM 1700 O HOH 39 -11.730 12.980 39.605 1.00 12.71 O HETATM 1701 O HOH 40 -37.373 26.626 39.512 1.00 24.45 O HETATM 1702 O HOH 41 -16.403 8.046 23.918 1.00 32.64 O HETATM 1703 O HOH 42 -11.162 29.836 39.314 1.00 33.46 O HETATM 1704 O HOH 43 -27.915 23.188 18.148 1.00 30.43 O HETATM 1705 O HOH 44 -28.556 6.793 44.326 1.00 48.17 O HETATM 1706 O HOH 45 -15.104 30.882 56.486 1.00 31.77 O HETATM 1707 O HOH 46 -15.987 25.006 48.409 1.00 10.16 O HETATM 1708 O HOH 47 -15.674 7.330 19.848 1.00 34.38 O HETATM 1709 O HOH 48 -39.314 19.921 53.569 1.00 22.77 O HETATM 1710 O HOH 49 -30.119 32.384 26.429 1.00 29.39 O HETATM 1711 O HOH 50 -27.142 12.234 25.861 1.00 32.84 O HETATM 1712 O HOH 51 -35.065 18.982 24.060 1.00 35.55 O HETATM 1713 O HOH 52 -35.576 23.422 50.162 1.00 47.73 O HETATM 1714 O HOH 53 -20.783 26.003 20.913 1.00 25.16 O HETATM 1715 O HOH 54 -29.831 29.417 42.355 1.00 46.45 O HETATM 1716 O HOH 55 -7.187 35.689 24.616 1.00 32.70 O HETATM 1717 O HOH 56 -34.922 26.981 57.532 1.00 37.33 O HETATM 1718 O HOH 57 -35.721 26.922 45.552 1.00 50.98 O HETATM 1719 O HOH 58 -11.292 13.547 18.141 1.00 24.34 O HETATM 1720 O HOH 59 -35.638 20.510 49.403 1.00 28.22 O HETATM 1721 O HOH 60 -9.944 24.493 31.930 1.00 16.31 O HETATM 1722 O HOH 61 -13.508 20.100 16.251 1.00 17.58 O HETATM 1723 O HOH 62 -9.563 27.839 37.771 1.00 24.37 O HETATM 1724 O HOH 63 -30.759 30.415 29.416 1.00 21.80 O HETATM 1725 O HOH 64 -31.373 19.394 61.236 1.00 42.78 O HETATM 1726 O HOH 65 -15.526 28.372 42.843 1.00 33.53 O HETATM 1727 O HOH 66 -33.040 25.395 56.378 1.00 31.16 O HETATM 1728 O HOH 67 -19.368 20.229 61.703 1.00 58.15 O HETATM 1729 O HOH 68 -31.732 14.641 28.477 1.00 16.54 O HETATM 1730 O HOH 69 -30.458 20.171 16.549 1.00 26.73 O HETATM 1731 O HOH 70 -13.815 28.939 40.005 1.00 42.30 O HETATM 1732 O HOH 71 -18.452 22.859 57.688 1.00 48.09 O HETATM 1733 O HOH 72 -13.958 14.617 40.917 1.00 20.94 O HETATM 1734 O HOH 73 -21.841 33.698 33.935 1.00 10.15 O HETATM 1735 O HOH 74 -35.587 28.550 27.359 1.00 35.49 O HETATM 1736 O HOH 75 -24.240 19.486 21.713 1.00 45.25 O HETATM 1737 O HOH 76 -37.040 17.046 38.718 1.00 40.60 O HETATM 1738 O HOH 77 -19.026 32.733 22.011 1.00 38.39 O HETATM 1739 O HOH 78 -12.646 22.559 37.213 1.00 13.45 O HETATM 1740 O HOH 79 -14.605 19.708 20.235 1.00 18.97 O HETATM 1741 O HOH 80 -39.021 22.936 42.760 1.00 39.83 O HETATM 1742 O HOH 81 -40.102 17.004 53.787 1.00 28.54 O HETATM 1743 O HOH 82 -12.211 30.827 45.234 1.00 36.84 O HETATM 1744 O HOH 83 -16.064 31.375 25.869 1.00 39.49 O HETATM 1745 O HOH 84 -27.135 10.040 47.593 1.00 32.25 O HETATM 1746 O HOH 85 -12.343 20.079 31.183 1.00 19.03 O HETATM 1747 O HOH 86 -10.778 22.126 32.743 1.00 29.91 O HETATM 1748 O HOH 87 -8.587 32.578 40.810 1.00 28.57 O HETATM 1749 O HOH 88 -38.360 14.767 53.383 1.00 26.46 O HETATM 1750 O HOH 89 -37.325 25.758 43.424 1.00 13.36 O HETATM 1751 O HOH 90 -14.389 4.390 23.053 1.00 27.27 O HETATM 1752 O HOH 91 -12.635 25.525 47.755 1.00 34.08 O HETATM 1753 O HOH 92 -30.202 29.160 27.039 1.00 29.07 O HETATM 1754 O HOH 93 -13.977 25.504 42.584 1.00 46.34 O HETATM 1755 O HOH 94 -23.836 10.659 49.443 1.00 27.22 O HETATM 1756 O HOH 95 -26.449 29.341 12.917 1.00 26.59 O HETATM 1757 O HOH 96 -19.247 26.513 62.601 1.00 17.92 O HETATM 1758 O HOH 97 -25.377 22.368 46.291 1.00 33.33 O HETATM 1759 O HOH 98 -18.023 23.393 33.525 1.00 29.37 O HETATM 1760 O HOH 99 -37.873 30.629 32.779 1.00 33.42 O HETATM 1761 O HOH 100 -13.211 18.763 36.226 1.00 33.06 O HETATM 1762 O HOH 101 -14.985 16.474 50.324 1.00 35.72 O HETATM 1763 O HOH 102 -12.326 19.720 24.962 1.00 26.16 O HETATM 1764 O HOH 103 -24.359 19.478 40.146 1.00 47.56 O HETATM 1765 O HOH 104 -32.030 29.985 47.212 1.00 41.47 O HETATM 1766 O HOH 105 -27.512 33.688 56.412 1.00 23.43 O HETATM 1767 O HOH 106 -26.554 35.247 24.772 1.00 15.98 O HETATM 1768 O HOH 107 -13.022 21.060 22.593 1.00 33.88 O HETATM 1769 O HOH 108 -26.302 30.928 50.825 1.00 37.57 O HETATM 1770 O HOH 109 -30.482 18.756 57.846 1.00 37.89 O HETATM 1771 O HOH 110 -12.993 20.768 58.176 1.00 36.07 O HETATM 1772 O HOH 111 -28.538 31.929 17.977 1.00 29.21 O HETATM 1773 O HOH 112 -19.040 26.029 17.584 1.00 41.71 O HETATM 1774 O HOH 113 -30.058 25.134 16.513 1.00 40.91 O HETATM 1775 O HOH 114 -23.646 27.905 45.569 1.00 42.45 O HETATM 1776 O HOH 115 -21.682 12.385 49.378 1.00 29.81 O HETATM 1777 O HOH 116 -26.933 15.704 54.096 1.00 29.13 O HETATM 1778 C1 SBX A 117 -24.934 27.202 42.806 1.00 0.26 C HETATM 1779 C2 SBX A 117 -25.849 25.998 42.617 1.00 0.15 C HETATM 1780 N7 SBX A 117 -27.302 26.186 42.585 1.00 -0.24 N HETATM 1781 C6 SBX A 117 -27.786 26.993 41.460 1.00 0.04 C HETATM 1782 C5 SBX A 117 -27.435 26.196 40.214 1.00 -0.03 C HETATM 1783 C4 SBX A 117 -25.924 26.031 40.082 1.00 -0.05 C HETATM 1784 C3 SBX A 117 -25.491 25.272 41.325 1.00 -0.01 C HETATM 1785 H2 SBX A 117 -25.985 24.289 41.326 1.00 0.03 H HETATM 1786 H3 SBX A 117 -24.400 25.134 41.290 1.00 0.03 H HETATM 1787 H4 SBX A 117 -25.677 25.458 39.176 1.00 0.03 H HETATM 1788 H5 SBX A 117 -25.432 27.014 40.040 1.00 0.03 H HETATM 1789 H6 SBX A 117 -27.902 25.202 40.279 1.00 0.03 H HETATM 1790 H7 SBX A 117 -27.819 26.724 39.329 1.00 0.03 H HETATM 1791 H8 SBX A 117 -28.874 27.139 41.530 1.00 0.05 H HETATM 1792 H9 SBX A 117 -27.285 27.972 41.445 1.00 0.05 H HETATM 1793 C8 SBX A 117 -28.055 25.794 43.631 1.00 0.27 C HETATM 1794 C9 SBX A 117 -29.575 25.816 43.695 1.00 0.24 C HETATM 1795 C10 SBX A 117 -30.388 26.908 44.381 1.00 0.04 C HETATM 1796 C14 SBX A 117 -31.379 27.552 43.457 1.00 -0.05 C HETATM 1797 H18 SBX A 117 -31.994 26.775 42.980 1.00 0.02 H HETATM 1798 H19 SBX A 117 -30.843 28.121 42.683 1.00 0.02 H HETATM 1799 H20 SBX A 117 -32.026 28.232 44.030 1.00 0.02 H HETATM 1800 C13 SBX A 117 -31.280 26.297 45.414 1.00 -0.05 C HETATM 1801 H15 SBX A 117 -31.897 25.514 44.949 1.00 0.02 H HETATM 1802 H16 SBX A 117 -31.933 27.073 45.840 1.00 0.02 H HETATM 1803 H17 SBX A 117 -30.667 25.854 46.213 1.00 0.02 H HETATM 1804 C11 SBX A 117 -29.540 27.989 45.037 1.00 -0.05 C HETATM 1805 C12 SBX A 117 -28.897 27.587 46.397 1.00 -0.07 C HETATM 1806 H12 SBX A 117 -28.308 28.430 46.788 1.00 0.02 H HETATM 1807 H13 SBX A 117 -28.239 26.718 46.249 1.00 0.02 H HETATM 1808 H14 SBX A 117 -29.689 27.329 47.115 1.00 0.02 H HETATM 1809 H10 SBX A 117 -30.180 28.867 45.209 1.00 0.03 H HETATM 1810 H11 SBX A 117 -28.730 28.256 44.342 1.00 0.03 H HETATM 1811 O4 SBX A 117 -30.139 24.821 43.236 1.00 -0.29 O HETATM 1812 O3 SBX A 117 -27.485 25.304 44.607 1.00 -0.36 O HETATM 1813 H1 SBX A 117 -25.640 25.328 43.464 1.00 0.08 H HETATM 1814 O2 SBX A 117 -23.745 27.125 42.522 1.00 -0.37 O HETATM 1815 O1 SBX A 117 -25.556 28.270 43.291 1.00 -0.27 O HETATM 1816 C15 SBX A 117 -24.912 29.576 43.348 1.00 0.09 C HETATM 1817 C24 SBX A 117 -25.919 30.634 42.967 1.00 -0.01 C HETATM 1818 C29 SBX A 117 -27.215 30.518 43.758 1.00 -0.05 C HETATM 1819 C28 SBX A 117 -28.019 31.807 43.612 1.00 -0.05 C HETATM 1820 C27 SBX A 117 -28.230 32.054 42.133 1.00 -0.05 C HETATM 1821 C26 SBX A 117 -26.924 32.103 41.352 1.00 -0.05 C HETATM 1822 C25 SBX A 117 -26.171 30.815 41.487 1.00 -0.05 C HETATM 1823 H32 SBX A 117 -26.770 29.979 41.096 1.00 0.03 H HETATM 1824 H33 SBX A 117 -25.218 30.870 40.941 1.00 0.03 H HETATM 1825 H34 SBX A 117 -27.146 32.280 40.289 1.00 0.03 H HETATM 1826 H35 SBX A 117 -26.304 32.925 41.739 1.00 0.03 H HETATM 1827 H36 SBX A 117 -28.853 31.244 41.727 1.00 0.03 H HETATM 1828 H37 SBX A 117 -28.751 33.015 42.008 1.00 0.03 H HETATM 1829 H38 SBX A 117 -28.991 31.701 44.116 1.00 0.03 H HETATM 1830 H39 SBX A 117 -27.465 32.647 44.056 1.00 0.03 H HETATM 1831 H40 SBX A 117 -26.982 30.350 44.820 1.00 0.03 H HETATM 1832 H41 SBX A 117 -27.805 29.673 43.373 1.00 0.03 H HETATM 1833 H31 SBX A 117 -25.462 31.581 43.290 1.00 0.03 H HETATM 1834 C16 SBX A 117 -24.381 29.882 44.740 1.00 -0.01 C HETATM 1835 C17 SBX A 117 -23.010 30.546 44.748 1.00 -0.02 C HETATM 1836 C18 SBX A 117 -22.015 30.205 45.831 1.00 -0.04 C HETATM 1837 C23 SBX A 117 -20.917 29.541 45.537 1.00 -0.06 C HETATM 1838 C22 SBX A 117 -20.132 29.103 46.502 1.00 -0.07 C HETATM 1839 C21 SBX A 117 -20.439 29.331 47.765 1.00 -0.07 C HETATM 1840 C20 SBX A 117 -21.529 30.009 48.071 1.00 -0.07 C HETATM 1841 C19 SBX A 117 -22.310 30.447 47.101 1.00 -0.06 C HETATM 1842 H26 SBX A 117 -23.203 31.011 47.346 1.00 0.06 H HETATM 1843 H27 SBX A 117 -21.780 30.204 49.107 1.00 0.06 H HETATM 1844 H28 SBX A 117 -19.794 28.960 48.553 1.00 0.06 H HETATM 1845 H29 SBX A 117 -19.231 28.553 46.257 1.00 0.06 H HETATM 1846 H30 SBX A 117 -20.658 29.354 44.501 1.00 0.06 H HETATM 1847 H24 SBX A 117 -23.182 31.631 44.805 1.00 0.04 H HETATM 1848 H25 SBX A 117 -22.532 30.300 43.788 1.00 0.04 H HETATM 1849 H22 SBX A 117 -24.311 28.937 45.299 1.00 0.03 H HETATM 1850 H23 SBX A 117 -25.093 30.553 45.242 1.00 0.03 H HETATM 1851 H21 SBX A 117 -24.075 29.592 42.635 1.00 0.07 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1778 1779 1814 1815 CONECT 1779 1778 1780 1784 1813 CONECT 1780 1779 1781 1793 CONECT 1781 1780 1782 1791 1792 CONECT 1782 1781 1783 1789 1790 CONECT 1783 1782 1784 1787 1788 CONECT 1784 1779 1783 1785 1786 CONECT 1785 1784 CONECT 1786 1784 CONECT 1787 1783 CONECT 1788 1783 CONECT 1789 1782 CONECT 1790 1782 CONECT 1791 1781 CONECT 1792 1781 CONECT 1793 1780 1794 1812 CONECT 1794 1793 1795 1811 CONECT 1795 1794 1796 1800 1804 CONECT 1796 1795 1797 1798 1799 CONECT 1797 1796 CONECT 1798 1796 CONECT 1799 1796 CONECT 1800 1795 1801 1802 1803 CONECT 1801 1800 CONECT 1802 1800 CONECT 1803 1800 CONECT 1804 1795 1805 1809 1810 CONECT 1805 1804 1806 1807 1808 CONECT 1806 1805 CONECT 1807 1805 CONECT 1808 1805 CONECT 1809 1804 CONECT 1810 1804 CONECT 1811 1794 CONECT 1812 1793 CONECT 1813 1779 CONECT 1814 1778 CONECT 1815 1778 1816 CONECT 1816 1815 1817 1834 1851 CONECT 1817 1816 1818 1822 1833 CONECT 1818 1817 1819 1831 1832 CONECT 1819 1818 1820 1829 1830 CONECT 1820 1819 1821 1827 1828 CONECT 1821 1820 1822 1825 1826 CONECT 1822 1817 1821 1823 1824 CONECT 1823 1822 CONECT 1824 1822 CONECT 1825 1821 CONECT 1826 1821 CONECT 1827 1820 CONECT 1828 1820 CONECT 1829 1819 CONECT 1830 1819 CONECT 1831 1818 CONECT 1832 1818 CONECT 1833 1817 CONECT 1834 1816 1835 1849 1850 CONECT 1835 1834 1836 1847 1848 CONECT 1836 1835 1837 1841 CONECT 1837 1836 1838 1846 CONECT 1838 1837 1839 1845 CONECT 1839 1838 1840 1844 CONECT 1840 1839 1841 1843 CONECT 1841 1836 1840 1842 CONECT 1842 1841 CONECT 1843 1840 CONECT 1844 1839 CONECT 1845 1838 CONECT 1846 1837 CONECT 1847 1835 CONECT 1848 1835 CONECT 1849 1834 CONECT 1850 1834 CONECT 1851 1816 MASTER 0 0 0 0 0 0 0 0 1850 1 78 9 END
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Related entries of code: 1fkh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a7x
RCSB PDB
PDBbind
107aa, >1A7X_1|Chains... *
1b6c
RCSB PDB
PDBbind
107aa, >1B6C_1|Chains... at 100%
1bl4
RCSB PDB
PDBbind
107aa, >1BL4_1|Chains... at 99%
1d7i
RCSB PDB
PDBbind
107aa, >1D7I_1|Chains... at 100%
1d7j
RCSB PDB
PDBbind
107aa, >1D7J_1|Chains... at 100%
1f40
RCSB PDB
PDBbind
107aa, >1F40_1|Chain... at 100%
1fkb
RCSB PDB
PDBbind
107aa, >1FKB_1|Chain... at 100%
1fkf
RCSB PDB
PDBbind
107aa, >1FKF_1|Chain... at 100%
1fkg
RCSB PDB
PDBbind
107aa, >1FKG_1|Chain... at 100%
1fki
RCSB PDB
PDBbind
107aa, >1FKI_1|Chains... at 100%
1j4r
RCSB PDB
PDBbind
107aa, >1J4R_1|Chains... at 100%
1qpf
RCSB PDB
PDBbind
107aa, >1QPF_1|Chains... at 100%
1qpl
RCSB PDB
PDBbind
107aa, >1QPL_1|Chains... at 100%
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
1fkh
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
FK506 binding protein
Ligand Name
SBX
EC.Number
E.C.5.2.1.8
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
Ki=7nM
Release Year
1994
Protein/NA Sequence
Check fasta file
Primary Reference
J.Am.Chem.Soc.v115;pp.9925-9938
Ligand Properties
Formula
C
2
8
H
4
1
NO
4
Molecular Weight
455.629
Exact Mass
455.304
No. of atoms
74
No. of bonds
76
Polar Surface Area
63.68
LOGP Value
6.91 (
Computed with XLOGP3
)
5.44 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
CCC(C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](C1CCCCC1)CCc1ccccc1)(C)C
InChI String
InChI=1S/C28H41NO4/c1-4-28(2,3)25(30)26(31)29-20-12-11-17-23(29)27(32)33-24(22-15-9-6-10-16-22)19-18-21-13-7-5-8-14-21/h5,7-8,13-14,22-24H,4,6,9-12,15-20H2,1-3H3/t23-,24+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P62942
Entrez Gene ID
NCBI Entrez Gene ID:
2280
ASD
Information of known allosteric effects of PDB entries
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