Browse entries in the PDBbind-CN Database
HEADER 5HZ5_COMPLEX COMPND 5HZ5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 134 ALA THR VAL GLN GLN LEU GLU GLY ARG TRP ARG LEU VAL SEQRES 2 A 134 ASP SER LYS GLY PHE ASP GLU TYR MET LYS GLU LEU GLY SEQRES 3 A 134 VAL GLY ILE ALA LEU ARG LYS MET GLY ALA MET ALA LYS SEQRES 4 A 134 PRO ASP CYS ILE ILE THR CYS ASP GLY LYS ASN LEU THR SEQRES 5 A 134 ILE LYS THR GLU SER THR LEU LYS THR THR GLN PHE SER SEQRES 6 A 134 CYS THR LEU GLY GLU LYS PHE GLU GLU THR THR ALA ASP SEQRES 7 A 134 GLY ARG LYS THR GLN THR VAL CYS ASN PHE THR ASP GLY SEQRES 8 A 134 ALA LEU VAL GLN HIS GLN GLU TRP ASP GLY LYS GLU SER SEQRES 9 A 134 THR ILE THR ARG LYS LEU LYS ASP GLY LYS LEU VAL VAL SEQRES 10 A 134 GLU CYS VAL MET ASN ASN VAL THR CYS THR ARG ILE TYR SEQRES 11 A 134 GLU LYS VAL GLU HET UNN A 232 47 ATOM 1 N ALA A 2 -24.897 18.897 11.361 1.00 39.82 N ATOM 2 CA ALA A 2 -24.351 18.586 10.041 1.00 34.25 C ATOM 3 C ALA A 2 -25.384 18.788 8.938 1.00 35.08 C ATOM 4 O ALA A 2 -26.545 18.384 9.063 1.00 31.63 O ATOM 5 CB ALA A 2 -23.808 17.167 10.005 1.00 31.23 C ATOM 6 HN3 ALA A 2 -25.708 18.275 11.555 1.00 0.00 H ATOM 7 HN2 ALA A 2 -25.207 19.889 11.381 1.00 0.00 H ATOM 8 HN1 ALA A 2 -24.163 18.747 12.083 1.00 0.00 H ATOM 9 N THR A 3 -24.956 19.417 7.847 1.00 31.05 N ATOM 10 CA THR A 3 -25.841 19.678 6.724 1.00 22.81 C ATOM 11 C THR A 3 -25.099 19.406 5.421 1.00 23.15 C ATOM 12 O THR A 3 -23.865 19.370 5.380 1.00 29.84 O ATOM 13 CB THR A 3 -26.354 21.118 6.730 1.00 31.13 C ATOM 14 OG1 THR A 3 -27.227 21.310 5.610 1.00 48.01 O ATOM 15 CG2 THR A 3 -25.189 22.099 6.645 1.00 30.18 C ATOM 16 HG1 THR A 3 -27.562 22.242 5.610 1.00 0.00 H ATOM 17 H THR A 3 -23.965 19.729 7.796 1.00 0.00 H ATOM 18 N VAL A 4 -25.875 19.223 4.349 1.00 20.91 N ATOM 19 CA VAL A 4 -25.278 18.902 3.055 1.00 23.87 C ATOM 20 C VAL A 4 -24.404 20.047 2.557 1.00 25.45 C ATOM 21 O VAL A 4 -23.426 19.820 1.836 1.00 22.02 O ATOM 22 CB VAL A 4 -26.360 18.486 2.035 1.00 28.64 C ATOM 23 CG1 VAL A 4 -27.183 19.693 1.596 1.00 30.83 C ATOM 24 CG2 VAL A 4 -25.731 17.773 0.836 1.00 23.04 C ATOM 25 H VAL A 4 -26.908 19.309 4.436 1.00 0.00 H ATOM 26 N GLN A 5 -24.723 21.289 2.944 1.00 23.85 N ATOM 27 CA GLN A 5 -23.934 22.437 2.507 1.00 25.60 C ATOM 28 C GLN A 5 -22.521 22.416 3.068 1.00 25.62 C ATOM 29 O GLN A 5 -21.623 23.023 2.474 1.00 24.57 O ATOM 30 CB GLN A 5 -24.612 23.754 2.897 1.00 31.88 C ATOM 31 CG GLN A 5 -25.948 24.004 2.212 1.00 46.14 C ATOM 32 CD GLN A 5 -27.093 23.246 2.858 1.00 52.66 C ATOM 33 OE1 GLN A 5 -26.917 22.589 3.879 1.00 52.00 O ATOM 34 NE2 GLN A 5 -28.277 23.337 2.260 1.00 57.00 N ATOM 35 HE22 GLN A 5 -28.381 23.906 1.395 1.00 0.00 H ATOM 36 HE21 GLN A 5 -29.100 22.839 2.657 1.00 0.00 H ATOM 37 H GLN A 5 -25.544 21.438 3.564 1.00 0.00 H ATOM 38 N GLN A 6 -22.302 21.728 4.188 1.00 23.14 N ATOM 39 CA GLN A 6 -20.961 21.628 4.747 1.00 19.34 C ATOM 40 C GLN A 6 -20.017 20.821 3.857 1.00 21.76 C ATOM 41 O GLN A 6 -18.795 20.906 4.030 1.00 23.46 O ATOM 42 CB GLN A 6 -21.034 21.008 6.139 1.00 25.06 C ATOM 43 CG GLN A 6 -21.711 21.904 7.161 1.00 32.68 C ATOM 44 CD GLN A 6 -21.870 21.232 8.509 1.00 40.50 C ATOM 45 OE1 GLN A 6 -21.666 20.023 8.642 1.00 38.87 O ATOM 46 NE2 GLN A 6 -22.235 22.013 9.521 1.00 47.66 N ATOM 47 HE22 GLN A 6 -22.396 23.028 9.363 1.00 0.00 H ATOM 48 HE21 GLN A 6 -22.359 21.609 10.471 1.00 0.00 H ATOM 49 H GLN A 6 -23.096 21.258 4.667 1.00 0.00 H ATOM 50 N LEU A 7 -20.545 20.043 2.913 1.00 19.88 N ATOM 51 CA LEU A 7 -19.705 19.268 2.007 1.00 16.04 C ATOM 52 C LEU A 7 -19.264 20.063 0.784 1.00 14.66 C ATOM 53 O LEU A 7 -18.484 19.547 -0.026 1.00 16.65 O ATOM 54 CB LEU A 7 -20.461 18.021 1.530 1.00 16.15 C ATOM 55 CG LEU A 7 -20.977 17.103 2.635 1.00 18.66 C ATOM 56 CD1 LEU A 7 -21.791 15.965 2.041 1.00 21.89 C ATOM 57 CD2 LEU A 7 -19.826 16.572 3.480 1.00 21.88 C ATOM 58 H LEU A 7 -21.579 19.987 2.820 1.00 0.00 H ATOM 59 N GLU A 8 -19.756 21.285 0.616 1.00 16.77 N ATOM 60 CA GLU A 8 -19.500 22.029 -0.604 1.00 15.38 C ATOM 61 C GLU A 8 -18.039 22.445 -0.694 1.00 16.54 C ATOM 62 O GLU A 8 -17.384 22.729 0.315 1.00 19.82 O ATOM 63 CB GLU A 8 -20.336 23.302 -0.628 1.00 18.21 C ATOM 64 CG GLU A 8 -21.789 23.134 -0.994 1.00 19.40 C ATOM 65 CD GLU A 8 -22.370 24.440 -1.490 1.00 20.66 C ATOM 66 OE1 GLU A 8 -22.377 25.416 -0.705 1.00 20.35 O ATOM 67 OE2 GLU A 8 -22.768 24.520 -2.678 1.00 20.32 O ATOM 68 H GLU A 8 -20.332 21.714 1.368 1.00 0.00 H ATOM 69 N GLY A 9 -17.547 22.527 -1.924 1.00 16.68 N ATOM 70 CA GLY A 9 -16.224 23.037 -2.217 1.00 19.68 C ATOM 71 C GLY A 9 -15.458 22.094 -3.109 1.00 15.61 C ATOM 72 O GLY A 9 -15.969 21.079 -3.575 1.00 14.00 O ATOM 73 H GLY A 9 -18.141 22.209 -2.716 1.00 0.00 H ATOM 74 N ARG A 10 -14.191 22.450 -3.340 1.00 15.43 N ATOM 75 CA ARG A 10 -13.242 21.645 -4.096 1.00 14.18 C ATOM 76 C ARG A 10 -12.360 20.886 -3.116 1.00 20.95 C ATOM 77 O ARG A 10 -11.806 21.477 -2.186 1.00 16.91 O ATOM 78 CB ARG A 10 -12.372 22.545 -4.984 1.00 17.12 C ATOM 79 CG ARG A 10 -11.319 21.780 -5.791 1.00 16.89 C ATOM 80 CD ARG A 10 -10.464 22.709 -6.667 1.00 18.72 C ATOM 81 NE ARG A 10 -11.196 23.257 -7.810 1.00 19.79 N ATOM 82 CZ ARG A 10 -11.313 22.650 -8.989 1.00 15.05 C ATOM 83 NH1 ARG A 10 -10.761 21.455 -9.182 1.00 17.90 N ATOM 84 NH2 ARG A 10 -12.003 23.220 -9.973 1.00 19.12 N ATOM 85 HE ARG A 10 -11.656 24.183 -7.693 1.00 0.00 H ATOM 86 HH12 ARG A 10 -10.853 20.982 -10.104 1.00 0.00 H ATOM 87 HH11 ARG A 10 -10.237 20.994 -8.411 1.00 0.00 H ATOM 88 HH22 ARG A 10 -12.091 22.741 -10.892 1.00 0.00 H ATOM 89 HH21 ARG A 10 -12.455 24.145 -9.824 1.00 0.00 H ATOM 90 H ARG A 10 -13.862 23.359 -2.956 1.00 0.00 H ATOM 91 N TRP A 11 -12.228 19.580 -3.322 1.00 17.14 N ATOM 92 CA TRP A 11 -11.526 18.709 -2.395 1.00 15.29 C ATOM 93 C TRP A 11 -10.545 17.857 -3.176 1.00 20.63 C ATOM 94 O TRP A 11 -10.896 17.322 -4.226 1.00 20.47 O ATOM 95 CB TRP A 11 -12.519 17.771 -1.722 1.00 16.84 C ATOM 96 CG TRP A 11 -13.649 18.437 -0.984 1.00 18.73 C ATOM 97 CD1 TRP A 11 -14.873 18.807 -1.496 1.00 16.48 C ATOM 98 CD2 TRP A 11 -13.695 18.752 0.411 1.00 14.99 C ATOM 99 NE1 TRP A 11 -15.655 19.339 -0.511 1.00 16.33 N ATOM 100 CE2 TRP A 11 -14.958 19.315 0.669 1.00 14.89 C ATOM 101 CE3 TRP A 11 -12.793 18.605 1.470 1.00 20.00 C ATOM 102 CZ2 TRP A 11 -15.343 19.740 1.938 1.00 19.60 C ATOM 103 CZ3 TRP A 11 -13.176 19.035 2.731 1.00 21.13 C ATOM 104 CH2 TRP A 11 -14.436 19.594 2.953 1.00 22.77 C ATOM 105 HE1 TRP A 11 -16.621 19.703 -0.636 1.00 0.00 H ATOM 106 H TRP A 11 -12.643 19.165 -4.180 1.00 0.00 H ATOM 107 N ARG A 12 -9.334 17.700 -2.643 1.00 17.91 N ATOM 108 CA ARG A 12 -8.243 17.027 -3.335 1.00 14.57 C ATOM 109 C ARG A 12 -7.928 15.704 -2.652 1.00 15.80 C ATOM 110 O ARG A 12 -7.751 15.656 -1.431 1.00 17.48 O ATOM 111 CB ARG A 12 -7.007 17.928 -3.308 1.00 19.36 C ATOM 112 CG ARG A 12 -5.755 17.365 -3.906 1.00 22.74 C ATOM 113 CD ARG A 12 -4.656 18.423 -3.792 1.00 29.75 C ATOM 114 NE ARG A 12 -4.869 19.517 -4.737 1.00 40.16 N ATOM 115 CZ ARG A 12 -4.556 20.793 -4.507 1.00 42.43 C ATOM 116 NH1 ARG A 12 -4.040 21.160 -3.344 1.00 36.72 N ATOM 117 NH2 ARG A 12 -4.781 21.707 -5.440 1.00 44.60 N ATOM 118 HE ARG A 12 -5.296 19.284 -5.656 1.00 0.00 H ATOM 119 HH12 ARG A 12 -3.799 22.157 -3.174 1.00 0.00 H ATOM 120 HH11 ARG A 12 -3.876 20.451 -2.601 1.00 0.00 H ATOM 121 HH22 ARG A 12 -4.538 22.702 -5.262 1.00 0.00 H ATOM 122 HH21 ARG A 12 -5.201 21.429 -6.350 1.00 0.00 H ATOM 123 H ARG A 12 -9.160 18.075 -1.689 1.00 0.00 H ATOM 124 N LEU A 13 -7.845 14.638 -3.444 1.00 16.00 N ATOM 125 CA LEU A 13 -7.524 13.328 -2.887 1.00 13.56 C ATOM 126 C LEU A 13 -6.161 13.354 -2.212 1.00 15.29 C ATOM 127 O LEU A 13 -5.171 13.757 -2.824 1.00 18.22 O ATOM 128 CB LEU A 13 -7.491 12.279 -3.992 1.00 14.84 C ATOM 129 CG LEU A 13 -7.328 10.845 -3.478 1.00 13.73 C ATOM 130 CD1 LEU A 13 -8.548 10.374 -2.694 1.00 12.73 C ATOM 131 CD2 LEU A 13 -7.055 9.922 -4.655 1.00 19.02 C ATOM 132 H LEU A 13 -8.010 14.739 -4.466 1.00 0.00 H ATOM 133 N VAL A 14 -6.102 12.871 -0.971 1.00 16.07 N ATOM 134 CA VAL A 14 -4.829 12.757 -0.262 1.00 17.19 C ATOM 135 C VAL A 14 -4.537 11.357 0.257 1.00 19.00 C ATOM 136 O VAL A 14 -3.385 11.079 0.635 1.00 22.37 O ATOM 137 CB VAL A 14 -4.682 13.792 0.870 1.00 19.22 C ATOM 138 CG1 VAL A 14 -4.734 15.182 0.311 1.00 19.47 C ATOM 139 CG2 VAL A 14 -5.727 13.582 1.942 1.00 18.38 C ATOM 140 H VAL A 14 -6.978 12.570 -0.498 1.00 0.00 H ATOM 141 N ASP A 15 -5.516 10.461 0.314 1.00 16.52 N ATOM 142 CA ASP A 15 -5.241 9.095 0.739 1.00 17.40 C ATOM 143 C ASP A 15 -6.323 8.187 0.181 1.00 14.13 C ATOM 144 O ASP A 15 -7.483 8.589 0.055 1.00 14.81 O ATOM 145 CB ASP A 15 -5.198 8.978 2.265 1.00 18.11 C ATOM 146 CG ASP A 15 -4.674 7.636 2.721 1.00 29.74 C ATOM 147 OD1 ASP A 15 -3.439 7.472 2.756 1.00 35.40 O ATOM 148 OD2 ASP A 15 -5.487 6.734 3.019 1.00 31.52 O ATOM 149 H ASP A 15 -6.485 10.736 0.054 1.00 0.00 H ATOM 150 N SER A 16 -5.926 6.965 -0.173 1.00 13.53 N ATOM 151 CA SER A 16 -6.860 5.978 -0.694 1.00 13.89 C ATOM 152 C SER A 16 -6.488 4.593 -0.188 1.00 13.21 C ATOM 153 O SER A 16 -5.308 4.236 -0.129 1.00 15.04 O ATOM 154 CB SER A 16 -6.885 6.001 -2.230 1.00 15.02 C ATOM 155 OG SER A 16 -7.858 5.105 -2.742 1.00 14.78 O ATOM 156 HG SER A 16 -7.851 5.142 -3.731 1.00 0.00 H ATOM 157 H SER A 16 -4.923 6.710 -0.074 1.00 0.00 H ATOM 158 N LYS A 17 -7.505 3.824 0.190 1.00 13.56 N ATOM 159 CA LYS A 17 -7.350 2.435 0.597 1.00 14.74 C ATOM 160 C LYS A 17 -8.491 1.627 -0.004 1.00 12.76 C ATOM 161 O LYS A 17 -9.653 2.039 0.079 1.00 14.77 O ATOM 162 CB LYS A 17 -7.396 2.304 2.123 1.00 19.04 C ATOM 163 CG LYS A 17 -6.274 3.035 2.841 1.00 26.41 C ATOM 164 CD LYS A 17 -4.933 2.392 2.530 1.00 34.44 C ATOM 165 CE LYS A 17 -3.771 3.215 3.063 1.00 43.30 C ATOM 166 NZ LYS A 17 -3.574 4.488 2.307 1.00 43.86 N ATOM 167 HZ1 LYS A 17 -3.380 4.270 1.309 1.00 0.00 H ATOM 168 HZ2 LYS A 17 -4.435 5.068 2.376 1.00 0.00 H ATOM 169 HZ3 LYS A 17 -2.770 5.009 2.712 1.00 0.00 H ATOM 170 H LYS A 17 -8.460 4.236 0.195 1.00 0.00 H ATOM 171 N GLY A 18 -8.158 0.490 -0.614 1.00 14.18 N ATOM 172 CA GLY A 18 -9.157 -0.424 -1.124 1.00 13.60 C ATOM 173 C GLY A 18 -9.757 -0.079 -2.468 1.00 12.61 C ATOM 174 O GLY A 18 -10.659 -0.796 -2.929 1.00 13.78 O ATOM 175 H GLY A 18 -7.152 0.253 -0.727 1.00 0.00 H ATOM 176 N PHE A 19 -9.295 0.986 -3.116 1.00 13.41 N ATOM 177 CA PHE A 19 -9.944 1.416 -4.349 1.00 12.61 C ATOM 178 C PHE A 19 -9.730 0.425 -5.486 1.00 13.45 C ATOM 179 O PHE A 19 -10.664 0.144 -6.244 1.00 13.01 O ATOM 180 CB PHE A 19 -9.516 2.837 -4.717 1.00 14.64 C ATOM 181 CG PHE A 19 -10.310 3.436 -5.845 1.00 18.79 C ATOM 182 CD1 PHE A 19 -11.692 3.545 -5.768 1.00 19.41 C ATOM 183 CD2 PHE A 19 -9.670 3.899 -6.973 1.00 21.62 C ATOM 184 CE1 PHE A 19 -12.416 4.103 -6.822 1.00 21.56 C ATOM 185 CE2 PHE A 19 -10.389 4.459 -8.018 1.00 20.44 C ATOM 186 CZ PHE A 19 -11.752 4.554 -7.937 1.00 17.52 C ATOM 187 H PHE A 19 -8.476 1.509 -2.746 1.00 0.00 H ATOM 188 N ASP A 20 -8.525 -0.126 -5.632 1.00 14.23 N ATOM 189 CA ASP A 20 -8.342 -1.103 -6.699 1.00 13.45 C ATOM 190 C ASP A 20 -9.228 -2.325 -6.480 1.00 12.50 C ATOM 191 O ASP A 20 -9.807 -2.859 -7.430 1.00 13.72 O ATOM 192 CB ASP A 20 -6.878 -1.522 -6.829 1.00 20.33 C ATOM 193 CG ASP A 20 -6.639 -2.406 -8.048 1.00 26.83 C ATOM 194 OD1 ASP A 20 -7.086 -2.026 -9.154 1.00 23.90 O ATOM 195 OD2 ASP A 20 -6.035 -3.492 -7.900 1.00 34.94 O ATOM 196 H ASP A 20 -7.738 0.133 -5.003 1.00 0.00 H ATOM 197 N GLU A 21 -9.347 -2.787 -5.229 1.00 13.52 N ATOM 198 CA GLU A 21 -10.191 -3.941 -4.956 1.00 14.07 C ATOM 199 C GLU A 21 -11.650 -3.636 -5.257 1.00 10.81 C ATOM 200 O GLU A 21 -12.372 -4.489 -5.783 1.00 12.12 O ATOM 201 CB GLU A 21 -10.019 -4.377 -3.505 1.00 17.97 C ATOM 202 CG GLU A 21 -8.704 -5.121 -3.290 1.00 25.43 C ATOM 203 CD GLU A 21 -8.492 -6.207 -4.336 1.00 39.71 C ATOM 204 OE1 GLU A 21 -9.392 -7.060 -4.494 1.00 41.45 O ATOM 205 OE2 GLU A 21 -7.441 -6.194 -5.017 1.00 46.81 O ATOM 206 H GLU A 21 -8.836 -2.321 -4.452 1.00 0.00 H ATOM 207 N TYR A 22 -12.087 -2.406 -4.960 1.00 10.85 N ATOM 208 CA TYR A 22 -13.455 -2.002 -5.267 1.00 11.52 C ATOM 209 C TYR A 22 -13.682 -1.955 -6.773 1.00 13.34 C ATOM 210 O TYR A 22 -14.700 -2.446 -7.278 1.00 11.61 O ATOM 211 CB TYR A 22 -13.723 -0.642 -4.622 1.00 11.40 C ATOM 212 CG TYR A 22 -15.057 -0.038 -4.969 1.00 12.05 C ATOM 213 CD1 TYR A 22 -16.227 -0.549 -4.424 1.00 10.99 C ATOM 214 CD2 TYR A 22 -15.142 1.067 -5.817 1.00 14.10 C ATOM 215 CE1 TYR A 22 -17.455 0.018 -4.721 1.00 11.03 C ATOM 216 CE2 TYR A 22 -16.360 1.637 -6.115 1.00 12.76 C ATOM 217 CZ TYR A 22 -17.517 1.112 -5.575 1.00 12.71 C ATOM 218 OH TYR A 22 -18.743 1.686 -5.892 1.00 17.03 O ATOM 219 HH TYR A 22 -19.466 1.195 -5.427 1.00 0.00 H ATOM 220 H TYR A 22 -11.442 -1.729 -4.504 1.00 0.00 H ATOM 221 N MET A 23 -12.714 -1.428 -7.516 1.00 12.07 N ATOM 222 CA MET A 23 -12.853 -1.409 -8.968 1.00 13.72 C ATOM 223 C MET A 23 -12.904 -2.818 -9.544 1.00 14.89 C ATOM 224 O MET A 23 -13.634 -3.072 -10.509 1.00 16.55 O ATOM 225 CB MET A 23 -11.720 -0.604 -9.606 1.00 14.64 C ATOM 226 CG MET A 23 -11.868 0.907 -9.403 1.00 16.87 C ATOM 227 SD MET A 23 -10.799 1.892 -10.464 1.00 19.87 S ATOM 228 CE MET A 23 -9.218 1.455 -9.760 1.00 19.13 C ATOM 229 H MET A 23 -11.864 -1.032 -7.066 1.00 0.00 H ATOM 230 N LYS A 24 -12.111 -3.738 -8.988 1.00 12.76 N ATOM 231 CA LYS A 24 -12.174 -5.128 -9.432 1.00 14.37 C ATOM 232 C LYS A 24 -13.542 -5.741 -9.150 1.00 16.86 C ATOM 233 O LYS A 24 -14.064 -6.511 -9.965 1.00 19.76 O ATOM 234 CB LYS A 24 -11.069 -5.953 -8.775 1.00 13.77 C ATOM 235 CG LYS A 24 -9.651 -5.596 -9.194 1.00 15.81 C ATOM 236 CD LYS A 24 -8.680 -6.451 -8.386 1.00 21.23 C ATOM 237 CE LYS A 24 -7.241 -6.289 -8.803 1.00 34.15 C ATOM 238 NZ LYS A 24 -6.375 -7.104 -7.899 1.00 39.15 N ATOM 239 HZ1 LYS A 24 -6.495 -6.777 -6.919 1.00 0.00 H ATOM 240 HZ2 LYS A 24 -6.649 -8.105 -7.968 1.00 0.00 H ATOM 241 HZ3 LYS A 24 -5.380 -6.995 -8.183 1.00 0.00 H ATOM 242 H LYS A 24 -11.447 -3.464 -8.236 1.00 0.00 H ATOM 243 N GLU A 25 -14.128 -5.435 -7.990 1.00 14.53 N ATOM 244 CA GLU A 25 -15.474 -5.928 -7.698 1.00 13.35 C ATOM 245 C GLU A 25 -16.511 -5.357 -8.668 1.00 17.12 C ATOM 246 O GLU A 25 -17.481 -6.048 -9.016 1.00 18.66 O ATOM 247 CB GLU A 25 -15.821 -5.611 -6.242 1.00 12.63 C ATOM 248 CG GLU A 25 -17.173 -6.100 -5.795 1.00 11.05 C ATOM 249 CD GLU A 25 -17.268 -7.621 -5.760 1.00 16.39 C ATOM 250 OE1 GLU A 25 -16.219 -8.283 -5.640 1.00 18.10 O ATOM 251 OE2 GLU A 25 -18.396 -8.147 -5.822 1.00 15.89 O ATOM 252 H GLU A 25 -13.628 -4.846 -7.294 1.00 0.00 H ATOM 253 N LEU A 26 -16.323 -4.112 -9.123 1.00 14.95 N ATOM 254 CA LEU A 26 -17.242 -3.491 -10.077 1.00 21.23 C ATOM 255 C LEU A 26 -17.143 -4.081 -11.471 1.00 23.64 C ATOM 256 O LEU A 26 -18.001 -3.774 -12.308 1.00 29.98 O ATOM 257 CB LEU A 26 -16.950 -2.001 -10.230 1.00 17.72 C ATOM 258 CG LEU A 26 -17.369 -1.062 -9.110 1.00 15.64 C ATOM 259 CD1 LEU A 26 -16.929 0.369 -9.417 1.00 21.80 C ATOM 260 CD2 LEU A 26 -18.869 -1.145 -8.847 1.00 22.81 C ATOM 261 H LEU A 26 -15.500 -3.571 -8.789 1.00 0.00 H ATOM 262 N GLY A 27 -16.130 -4.890 -11.744 1.00 19.31 N ATOM 263 CA GLY A 27 -15.898 -5.382 -13.090 1.00 21.40 C ATOM 264 C GLY A 27 -15.113 -4.463 -14.005 1.00 29.39 C ATOM 265 O GLY A 27 -15.207 -4.614 -15.231 1.00 27.76 O ATOM 266 H GLY A 27 -15.488 -5.178 -10.978 1.00 0.00 H ATOM 267 N VAL A 28 -14.323 -3.527 -13.463 1.00 17.26 N ATOM 268 CA VAL A 28 -13.650 -2.524 -14.291 1.00 15.38 C ATOM 269 C VAL A 28 -12.411 -3.131 -14.942 1.00 18.33 C ATOM 270 O VAL A 28 -11.609 -3.799 -14.280 1.00 18.48 O ATOM 271 CB VAL A 28 -13.291 -1.283 -13.452 1.00 16.39 C ATOM 272 CG1 VAL A 28 -12.602 -0.245 -14.310 1.00 19.80 C ATOM 273 CG2 VAL A 28 -14.539 -0.671 -12.826 1.00 16.80 C ATOM 274 H VAL A 28 -14.185 -3.512 -12.432 1.00 0.00 H ATOM 275 N GLY A 29 -12.226 -2.875 -16.238 1.00 15.41 N ATOM 276 CA GLY A 29 -11.097 -3.430 -16.951 1.00 17.24 C ATOM 277 C GLY A 29 -9.789 -2.743 -16.605 1.00 14.96 C ATOM 278 O GLY A 29 -9.736 -1.688 -15.975 1.00 15.29 O ATOM 279 H GLY A 29 -12.903 -2.268 -16.743 1.00 0.00 H ATOM 280 N ILE A 30 -8.700 -3.334 -17.096 1.00 16.48 N ATOM 281 CA ILE A 30 -7.377 -2.941 -16.622 1.00 16.75 C ATOM 282 C ILE A 30 -7.050 -1.500 -16.996 1.00 15.37 C ATOM 283 O ILE A 30 -6.427 -0.782 -16.210 1.00 16.11 O ATOM 284 CB ILE A 30 -6.303 -3.938 -17.092 1.00 19.96 C ATOM 285 CG1 ILE A 30 -4.915 -3.470 -16.651 1.00 20.21 C ATOM 286 CG2 ILE A 30 -6.340 -4.084 -18.599 1.00 24.25 C ATOM 287 CD1 ILE A 30 -4.703 -3.481 -15.156 1.00 19.15 C ATOM 288 H ILE A 30 -8.793 -4.077 -17.818 1.00 0.00 H ATOM 289 N ALA A 31 -7.451 -1.052 -18.191 1.00 15.82 N ATOM 290 CA ALA A 31 -7.150 0.327 -18.584 1.00 18.89 C ATOM 291 C ALA A 31 -7.747 1.330 -17.601 1.00 17.82 C ATOM 292 O ALA A 31 -7.051 2.234 -17.111 1.00 17.86 O ATOM 293 CB ALA A 31 -7.646 0.615 -20.006 1.00 20.69 C ATOM 294 H ALA A 31 -7.973 -1.678 -18.837 1.00 0.00 H ATOM 295 N LEU A 32 -9.039 1.194 -17.309 1.00 16.61 N ATOM 296 CA LEU A 32 -9.663 2.099 -16.351 1.00 17.37 C ATOM 297 C LEU A 32 -9.107 1.922 -14.940 1.00 18.32 C ATOM 298 O LEU A 32 -9.008 2.904 -14.192 1.00 19.61 O ATOM 299 CB LEU A 32 -11.183 1.946 -16.388 1.00 19.19 C ATOM 300 CG LEU A 32 -11.916 2.543 -17.594 1.00 25.33 C ATOM 301 CD1 LEU A 32 -13.290 1.898 -17.786 1.00 26.67 C ATOM 302 CD2 LEU A 32 -12.067 4.045 -17.411 1.00 27.09 C ATOM 303 H LEU A 32 -9.601 0.445 -17.762 1.00 0.00 H ATOM 304 N ARG A 33 -8.736 0.695 -14.543 1.00 15.08 N ATOM 305 CA ARG A 33 -8.208 0.520 -13.191 1.00 16.86 C ATOM 306 C ARG A 33 -6.842 1.170 -13.034 1.00 18.59 C ATOM 307 O ARG A 33 -6.539 1.734 -11.977 1.00 22.47 O ATOM 308 CB ARG A 33 -8.127 -0.958 -12.810 1.00 18.56 C ATOM 309 CG ARG A 33 -9.472 -1.625 -12.732 1.00 16.64 C ATOM 310 CD ARG A 33 -9.441 -2.924 -11.898 1.00 21.07 C ATOM 311 NE ARG A 33 -8.214 -3.700 -12.083 1.00 19.45 N ATOM 312 CZ ARG A 33 -8.002 -4.568 -13.067 1.00 23.17 C ATOM 313 NH1 ARG A 33 -8.927 -4.788 -14.003 1.00 20.24 N ATOM 314 NH2 ARG A 33 -6.849 -5.225 -13.128 1.00 33.48 N ATOM 315 HE ARG A 33 -7.449 -3.562 -11.392 1.00 0.00 H ATOM 316 HH12 ARG A 33 -8.743 -5.471 -14.765 1.00 0.00 H ATOM 317 HH11 ARG A 33 -9.832 -4.276 -13.970 1.00 0.00 H ATOM 318 HH22 ARG A 33 -6.678 -5.905 -13.896 1.00 0.00 H ATOM 319 HH21 ARG A 33 -6.117 -5.059 -12.408 1.00 0.00 H ATOM 320 H ARG A 33 -8.823 -0.118 -15.186 1.00 0.00 H ATOM 321 N LYS A 34 -5.997 1.091 -14.066 1.00 16.77 N ATOM 322 CA LYS A 34 -4.718 1.794 -13.996 1.00 17.62 C ATOM 323 C LYS A 34 -4.930 3.297 -13.910 1.00 23.40 C ATOM 324 O LYS A 34 -4.247 3.988 -13.143 1.00 22.08 O ATOM 325 CB LYS A 34 -3.841 1.432 -15.195 1.00 20.23 C ATOM 326 CG LYS A 34 -3.462 -0.034 -15.236 1.00 25.20 C ATOM 327 CD LYS A 34 -2.023 -0.251 -14.840 1.00 38.60 C ATOM 328 CE LYS A 34 -1.158 -0.457 -16.073 1.00 50.88 C ATOM 329 NZ LYS A 34 0.297 -0.502 -15.747 1.00 58.11 N ATOM 330 HZ1 LYS A 34 0.579 0.395 -15.303 1.00 0.00 H ATOM 331 HZ2 LYS A 34 0.480 -1.288 -15.091 1.00 0.00 H ATOM 332 HZ3 LYS A 34 0.843 -0.644 -16.621 1.00 0.00 H ATOM 333 H LYS A 34 -6.247 0.536 -14.909 1.00 0.00 H ATOM 334 N MET A 35 -5.871 3.826 -14.688 1.00 19.67 N ATOM 335 CA MET A 35 -6.212 5.246 -14.595 1.00 20.00 C ATOM 336 C MET A 35 -6.630 5.606 -13.178 1.00 25.35 C ATOM 337 O MET A 35 -6.164 6.592 -12.599 1.00 27.62 O ATOM 338 CB MET A 35 -7.355 5.558 -15.566 1.00 23.25 C ATOM 339 CG MET A 35 -7.757 7.037 -15.680 1.00 26.68 C ATOM 340 SD MET A 35 -8.531 7.793 -14.225 1.00 32.76 S ATOM 341 CE MET A 35 -9.969 6.757 -13.981 1.00 36.65 C ATOM 342 H MET A 35 -6.371 3.222 -15.371 1.00 0.00 H ATOM 343 N GLY A 36 -7.535 4.808 -12.605 1.00 20.81 N ATOM 344 CA GLY A 36 -8.044 5.115 -11.281 1.00 24.49 C ATOM 345 C GLY A 36 -7.014 4.942 -10.188 1.00 27.72 C ATOM 346 O GLY A 36 -7.090 5.609 -9.150 1.00 38.74 O ATOM 347 H GLY A 36 -7.876 3.964 -13.109 1.00 0.00 H ATOM 348 N ALA A 37 -6.046 4.049 -10.390 1.00 28.07 N ATOM 349 CA ALA A 37 -5.002 3.865 -9.389 1.00 26.58 C ATOM 350 C ALA A 37 -4.093 5.082 -9.318 1.00 36.58 C ATOM 351 O ALA A 37 -3.618 5.448 -8.237 1.00 41.56 O ATOM 352 CB ALA A 37 -4.178 2.614 -9.701 1.00 26.62 C ATOM 353 H ALA A 37 -6.035 3.483 -11.262 1.00 0.00 H ATOM 354 N MET A 38 -3.838 5.722 -10.457 1.00 31.74 N ATOM 355 CA MET A 38 -2.852 6.784 -10.518 1.00 32.51 C ATOM 356 C MET A 38 -3.443 8.176 -10.676 1.00 26.58 C ATOM 357 O MET A 38 -2.692 9.152 -10.591 1.00 27.96 O ATOM 358 CB MET A 38 -1.835 6.517 -11.639 1.00 42.02 C ATOM 359 CG MET A 38 -2.386 6.696 -13.036 1.00 51.12 C ATOM 360 SD MET A 38 -1.129 6.441 -14.303 1.00 62.06 S ATOM 361 CE MET A 38 -1.114 4.659 -14.425 1.00 50.11 C ATOM 362 H MET A 38 -4.355 5.456 -11.319 1.00 0.00 H ATOM 363 N ALA A 39 -4.745 8.308 -10.917 1.00 22.86 N ATOM 364 CA ALA A 39 -5.318 9.641 -10.959 1.00 26.34 C ATOM 365 C ALA A 39 -5.354 10.233 -9.554 1.00 21.27 C ATOM 366 O ALA A 39 -5.493 9.526 -8.552 1.00 24.44 O ATOM 367 CB ALA A 39 -6.717 9.627 -11.582 1.00 25.85 C ATOM 368 H ALA A 39 -5.342 7.471 -11.073 1.00 0.00 H ATOM 369 N LYS A 40 -5.198 11.552 -9.488 1.00 21.98 N ATOM 370 CA LYS A 40 -5.223 12.298 -8.237 1.00 23.42 C ATOM 371 C LYS A 40 -6.350 13.315 -8.367 1.00 18.09 C ATOM 372 O LYS A 40 -6.098 14.500 -8.626 1.00 22.09 O ATOM 373 CB LYS A 40 -3.880 12.984 -8.001 1.00 41.22 C ATOM 374 CG LYS A 40 -2.950 12.186 -7.121 1.00 49.67 C ATOM 375 CD LYS A 40 -3.622 11.952 -5.784 1.00 52.96 C ATOM 376 CE LYS A 40 -2.618 11.611 -4.707 1.00 56.11 C ATOM 377 NZ LYS A 40 -3.264 11.610 -3.367 1.00 54.59 N ATOM 378 HZ1 LYS A 40 -3.659 12.552 -3.173 1.00 0.00 H ATOM 379 HZ2 LYS A 40 -4.027 10.903 -3.352 1.00 0.00 H ATOM 380 HZ3 LYS A 40 -2.556 11.373 -2.643 1.00 0.00 H ATOM 381 H LYS A 40 -5.051 12.077 -10.374 1.00 0.00 H ATOM 382 N PRO A 41 -7.599 12.890 -8.228 1.00 16.97 N ATOM 383 CA PRO A 41 -8.711 13.770 -8.599 1.00 15.85 C ATOM 384 C PRO A 41 -9.010 14.835 -7.563 1.00 20.79 C ATOM 385 O PRO A 41 -8.732 14.692 -6.368 1.00 17.73 O ATOM 386 CB PRO A 41 -9.890 12.800 -8.729 1.00 20.46 C ATOM 387 CG PRO A 41 -9.565 11.730 -7.732 1.00 20.96 C ATOM 388 CD PRO A 41 -8.070 11.550 -7.826 1.00 20.82 C ATOM 389 N ASP A 42 -9.566 15.930 -8.053 1.00 14.99 N ATOM 390 CA ASP A 42 -10.326 16.834 -7.211 1.00 16.26 C ATOM 391 C ASP A 42 -11.795 16.481 -7.371 1.00 16.28 C ATOM 392 O ASP A 42 -12.242 16.071 -8.446 1.00 18.12 O ATOM 393 CB ASP A 42 -10.139 18.295 -7.636 1.00 16.51 C ATOM 394 CG ASP A 42 -8.803 18.895 -7.185 1.00 21.52 C ATOM 395 OD1 ASP A 42 -7.943 18.186 -6.622 1.00 20.51 O ATOM 396 OD2 ASP A 42 -8.600 20.111 -7.423 1.00 24.03 O ATOM 397 H ASP A 42 -9.456 16.148 -9.064 1.00 0.00 H ATOM 398 N CYS A 43 -12.539 16.596 -6.283 1.00 15.58 N ATOM 399 CA CYS A 43 -13.992 16.448 -6.269 1.00 15.96 C ATOM 400 C CYS A 43 -14.590 17.811 -5.935 1.00 17.14 C ATOM 401 O CYS A 43 -14.193 18.410 -4.930 1.00 18.03 O ATOM 402 CB CYS A 43 -14.360 15.456 -5.155 1.00 17.02 C ATOM 403 SG CYS A 43 -16.101 15.063 -4.845 1.00 19.90 S ATOM 404 H CYS A 43 -12.060 16.804 -5.384 1.00 0.00 H ATOM 405 N ILE A 44 -15.523 18.302 -6.752 1.00 12.56 N ATOM 406 CA ILE A 44 -16.140 19.605 -6.526 1.00 12.84 C ATOM 407 C ILE A 44 -17.611 19.356 -6.253 1.00 13.48 C ATOM 408 O ILE A 44 -18.335 18.861 -7.131 1.00 13.23 O ATOM 409 CB ILE A 44 -15.960 20.569 -7.709 1.00 15.46 C ATOM 410 CG1 ILE A 44 -14.491 20.678 -8.086 1.00 18.25 C ATOM 411 CG2 ILE A 44 -16.471 21.949 -7.345 1.00 17.13 C ATOM 412 CD1 ILE A 44 -14.130 19.914 -9.315 1.00 27.22 C ATOM 413 H ILE A 44 -15.820 17.739 -7.575 1.00 0.00 H ATOM 414 N ILE A 45 -18.044 19.676 -5.036 1.00 12.18 N ATOM 415 CA ILE A 45 -19.408 19.416 -4.585 1.00 12.96 C ATOM 416 C ILE A 45 -20.117 20.753 -4.474 1.00 14.77 C ATOM 417 O ILE A 45 -19.607 21.676 -3.830 1.00 13.90 O ATOM 418 CB ILE A 45 -19.425 18.669 -3.240 1.00 11.21 C ATOM 419 CG1 ILE A 45 -18.751 17.304 -3.387 1.00 12.68 C ATOM 420 CG2 ILE A 45 -20.864 18.560 -2.725 1.00 12.21 C ATOM 421 CD1 ILE A 45 -18.559 16.571 -2.053 1.00 14.27 C ATOM 422 H ILE A 45 -17.381 20.132 -4.377 1.00 0.00 H ATOM 423 N THR A 46 -21.268 20.874 -5.125 1.00 12.26 N ATOM 424 CA THR A 46 -22.084 22.064 -4.993 1.00 13.41 C ATOM 425 C THR A 46 -23.511 21.626 -4.729 1.00 17.44 C ATOM 426 O THR A 46 -23.963 20.583 -5.206 1.00 13.45 O ATOM 427 CB THR A 46 -22.045 22.949 -6.255 1.00 17.84 C ATOM 428 OG1 THR A 46 -22.456 22.184 -7.394 1.00 21.36 O ATOM 429 CG2 THR A 46 -20.648 23.465 -6.502 1.00 23.20 C ATOM 430 HG1 THR A 46 -23.378 21.853 -7.253 1.00 0.00 H ATOM 431 H THR A 46 -21.590 20.100 -5.741 1.00 0.00 H ATOM 432 N CYS A 47 -24.249 22.428 -3.961 1.00 17.03 N ATOM 433 CA CYS A 47 -25.623 22.059 -3.628 1.00 18.72 C ATOM 434 C CYS A 47 -26.470 23.312 -3.435 1.00 19.33 C ATOM 435 O CYS A 47 -26.089 24.203 -2.668 1.00 21.47 O ATOM 436 CB CYS A 47 -25.668 21.153 -2.383 1.00 17.49 C ATOM 437 SG CYS A 47 -27.179 20.129 -2.186 1.00 23.23 S ATOM 438 H CYS A 47 -23.847 23.316 -3.599 1.00 0.00 H ATOM 439 N ASP A 48 -27.613 23.377 -4.136 1.00 20.20 N ATOM 440 CA ASP A 48 -28.520 24.518 -4.114 1.00 27.39 C ATOM 441 C ASP A 48 -29.850 23.944 -3.646 1.00 23.41 C ATOM 442 O ASP A 48 -30.612 23.402 -4.451 1.00 22.48 O ATOM 443 CB ASP A 48 -28.626 25.161 -5.493 1.00 33.72 C ATOM 444 CG ASP A 48 -29.576 26.355 -5.519 1.00 51.31 C ATOM 445 OD1 ASP A 48 -30.039 26.796 -4.440 1.00 53.28 O ATOM 446 OD2 ASP A 48 -29.851 26.861 -6.628 1.00 54.55 O ATOM 447 H ASP A 48 -27.867 22.563 -4.732 1.00 0.00 H ATOM 448 N GLY A 49 -30.092 24.024 -2.342 1.00 27.11 N ATOM 449 CA GLY A 49 -31.242 23.385 -1.742 1.00 28.93 C ATOM 450 C GLY A 49 -31.132 21.880 -1.847 1.00 25.44 C ATOM 451 O GLY A 49 -30.272 21.266 -1.214 1.00 31.47 O ATOM 452 H GLY A 49 -29.437 24.560 -1.737 1.00 0.00 H ATOM 453 N LYS A 50 -32.008 21.276 -2.645 1.00 29.40 N ATOM 454 CA LYS A 50 -31.944 19.848 -2.897 1.00 24.81 C ATOM 455 C LYS A 50 -31.293 19.510 -4.231 1.00 21.87 C ATOM 456 O LYS A 50 -31.224 18.335 -4.582 1.00 19.36 O ATOM 457 CB LYS A 50 -33.327 19.205 -2.766 1.00 30.92 C ATOM 458 CG LYS A 50 -33.943 19.332 -1.363 1.00 40.28 C ATOM 459 CD LYS A 50 -33.061 18.700 -0.278 1.00 51.18 C ATOM 460 CE LYS A 50 -32.369 19.749 0.604 1.00 55.04 C ATOM 461 NZ LYS A 50 -31.419 19.151 1.592 1.00 55.29 N ATOM 462 HZ1 LYS A 50 -31.936 18.503 2.220 1.00 0.00 H ATOM 463 HZ2 LYS A 50 -30.678 18.627 1.085 1.00 0.00 H ATOM 464 HZ3 LYS A 50 -30.985 19.909 2.156 1.00 0.00 H ATOM 465 H LYS A 50 -32.755 21.839 -3.098 1.00 0.00 H ATOM 466 N ASN A 51 -30.791 20.499 -4.971 1.00 17.14 N ATOM 467 CA ASN A 51 -30.039 20.219 -6.186 1.00 15.81 C ATOM 468 C ASN A 51 -28.577 19.991 -5.819 1.00 15.23 C ATOM 469 O ASN A 51 -27.961 20.840 -5.175 1.00 19.26 O ATOM 470 CB ASN A 51 -30.147 21.394 -7.151 1.00 24.60 C ATOM 471 CG ASN A 51 -31.569 21.672 -7.560 1.00 39.75 C ATOM 472 OD1 ASN A 51 -32.379 20.756 -7.689 1.00 45.05 O ATOM 473 ND2 ASN A 51 -31.887 22.945 -7.762 1.00 44.14 N ATOM 474 HD22 ASN A 51 -31.168 23.686 -7.641 1.00 0.00 H ATOM 475 HD21 ASN A 51 -32.855 23.201 -8.042 1.00 0.00 H ATOM 476 H ASN A 51 -30.939 21.485 -4.676 1.00 0.00 H ATOM 477 N LEU A 52 -28.030 18.853 -6.223 1.00 13.29 N ATOM 478 CA LEU A 52 -26.657 18.474 -5.928 1.00 13.07 C ATOM 479 C LEU A 52 -25.906 18.253 -7.232 1.00 11.12 C ATOM 480 O LEU A 52 -26.435 17.633 -8.159 1.00 13.79 O ATOM 481 CB LEU A 52 -26.655 17.167 -5.134 1.00 13.14 C ATOM 482 CG LEU A 52 -25.308 16.474 -4.944 1.00 13.50 C ATOM 483 CD1 LEU A 52 -24.473 17.248 -3.927 1.00 18.30 C ATOM 484 CD2 LEU A 52 -25.509 15.029 -4.517 1.00 15.63 C ATOM 485 H LEU A 52 -28.613 18.197 -6.780 1.00 0.00 H ATOM 486 N THR A 53 -24.679 18.758 -7.312 1.00 10.66 N ATOM 487 CA THR A 53 -23.782 18.389 -8.398 1.00 10.65 C ATOM 488 C THR A 53 -22.453 17.935 -7.807 1.00 10.42 C ATOM 489 O THR A 53 -21.916 18.575 -6.887 1.00 11.58 O ATOM 490 CB THR A 53 -23.525 19.578 -9.349 1.00 13.84 C ATOM 491 OG1 THR A 53 -24.763 20.000 -9.947 1.00 16.62 O ATOM 492 CG2 THR A 53 -22.532 19.219 -10.455 1.00 19.04 C ATOM 493 HG1 THR A 53 -25.393 20.279 -9.236 1.00 0.00 H ATOM 494 H THR A 53 -24.354 19.428 -6.586 1.00 0.00 H ATOM 495 N ILE A 54 -21.906 16.848 -8.338 1.00 10.52 N ATOM 496 CA ILE A 54 -20.549 16.432 -8.009 1.00 10.82 C ATOM 497 C ILE A 54 -19.746 16.266 -9.294 1.00 10.73 C ATOM 498 O ILE A 54 -20.103 15.455 -10.154 1.00 12.58 O ATOM 499 CB ILE A 54 -20.532 15.142 -7.180 1.00 12.86 C ATOM 500 CG1 ILE A 54 -21.392 15.333 -5.928 1.00 13.71 C ATOM 501 CG2 ILE A 54 -19.088 14.788 -6.821 1.00 14.17 C ATOM 502 CD1 ILE A 54 -21.421 14.097 -5.028 1.00 14.59 C ATOM 503 H ILE A 54 -22.461 16.278 -9.007 1.00 0.00 H ATOM 504 N LYS A 55 -18.658 17.012 -9.403 1.00 12.07 N ATOM 505 CA LYS A 55 -17.744 16.959 -10.534 1.00 12.42 C ATOM 506 C LYS A 55 -16.421 16.410 -10.024 1.00 15.38 C ATOM 507 O LYS A 55 -15.925 16.836 -8.975 1.00 16.19 O ATOM 508 CB LYS A 55 -17.536 18.361 -11.116 1.00 14.38 C ATOM 509 CG LYS A 55 -16.649 18.399 -12.353 1.00 14.31 C ATOM 510 CD LYS A 55 -16.741 19.755 -13.035 1.00 14.01 C ATOM 511 CE LYS A 55 -15.916 19.754 -14.317 1.00 15.88 C ATOM 512 NZ LYS A 55 -15.940 21.125 -14.950 1.00 17.16 N ATOM 513 HZ1 LYS A 55 -16.922 21.384 -15.175 1.00 0.00 H ATOM 514 HZ2 LYS A 55 -15.540 21.819 -14.286 1.00 0.00 H ATOM 515 HZ3 LYS A 55 -15.375 21.112 -15.823 1.00 0.00 H ATOM 516 H LYS A 55 -18.443 17.677 -8.633 1.00 0.00 H ATOM 517 N THR A 56 -15.870 15.444 -10.739 1.00 16.92 N ATOM 518 CA THR A 56 -14.574 14.873 -10.401 1.00 16.45 C ATOM 519 C THR A 56 -13.617 15.255 -11.513 1.00 15.93 C ATOM 520 O THR A 56 -13.892 14.984 -12.681 1.00 17.56 O ATOM 521 CB THR A 56 -14.715 13.358 -10.309 1.00 20.44 C ATOM 522 OG1 THR A 56 -15.685 13.054 -9.303 1.00 25.89 O ATOM 523 CG2 THR A 56 -13.386 12.706 -9.959 1.00 23.35 C ATOM 524 HG1 THR A 56 -15.383 13.420 -8.434 1.00 0.00 H ATOM 525 H THR A 56 -16.379 15.080 -11.570 1.00 0.00 H ATOM 526 N GLU A 57 -12.507 15.897 -11.166 1.00 14.98 N ATOM 527 CA GLU A 57 -11.589 16.421 -12.165 1.00 16.74 C ATOM 528 C GLU A 57 -10.204 15.861 -11.936 1.00 16.73 C ATOM 529 O GLU A 57 -9.661 15.964 -10.831 1.00 20.76 O ATOM 530 CB GLU A 57 -11.481 17.940 -12.082 1.00 22.95 C ATOM 531 CG GLU A 57 -12.663 18.656 -12.615 1.00 20.77 C ATOM 532 CD GLU A 57 -12.446 20.158 -12.702 1.00 21.72 C ATOM 533 OE1 GLU A 57 -11.501 20.696 -12.077 1.00 22.38 O ATOM 534 OE2 GLU A 57 -13.226 20.786 -13.426 1.00 24.37 O ATOM 535 H GLU A 57 -12.290 16.028 -10.157 1.00 0.00 H ATOM 536 N SER A 58 -9.617 15.327 -12.997 1.00 19.78 N ATOM 537 CA SER A 58 -8.213 14.964 -12.966 1.00 18.79 C ATOM 538 C SER A 58 -7.685 15.043 -14.383 1.00 21.28 C ATOM 539 O SER A 58 -8.450 15.018 -15.348 1.00 23.23 O ATOM 540 CB SER A 58 -8.001 13.554 -12.409 1.00 18.88 C ATOM 541 OG SER A 58 -8.446 12.573 -13.324 1.00 22.13 O ATOM 542 HG SER A 58 -9.411 12.702 -13.501 1.00 0.00 H ATOM 543 H SER A 58 -10.170 15.166 -13.863 1.00 0.00 H ATOM 544 N THR A 59 -6.360 15.131 -14.497 1.00 29.04 N ATOM 545 CA THR A 59 -5.741 15.169 -15.816 1.00 34.10 C ATOM 546 C THR A 59 -6.114 13.943 -16.635 1.00 28.87 C ATOM 547 O THR A 59 -6.257 14.030 -17.859 1.00 34.90 O ATOM 548 CB THR A 59 -4.225 15.283 -15.672 1.00 41.00 C ATOM 549 OG1 THR A 59 -3.736 14.172 -14.910 1.00 45.30 O ATOM 550 CG2 THR A 59 -3.854 16.583 -14.966 1.00 38.62 C ATOM 551 HG1 THR A 59 -4.156 14.178 -14.013 1.00 0.00 H ATOM 552 H THR A 59 -5.767 15.173 -13.644 1.00 0.00 H ATOM 553 N LEU A 60 -6.318 12.806 -15.980 1.00 22.74 N ATOM 554 CA LEU A 60 -6.653 11.583 -16.692 1.00 22.82 C ATOM 555 C LEU A 60 -8.146 11.439 -16.969 1.00 31.82 C ATOM 556 O LEU A 60 -8.522 10.919 -18.024 1.00 34.22 O ATOM 557 CB LEU A 60 -6.132 10.360 -15.926 1.00 25.74 C ATOM 558 CG LEU A 60 -4.620 10.325 -15.677 1.00 27.50 C ATOM 559 CD1 LEU A 60 -4.194 9.038 -14.980 1.00 27.20 C ATOM 560 CD2 LEU A 60 -3.856 10.504 -16.973 1.00 28.36 C ATOM 561 H LEU A 60 -6.237 12.790 -14.943 1.00 0.00 H ATOM 562 N LYS A 61 -9.017 11.873 -16.056 1.00 28.94 N ATOM 563 CA LYS A 61 -10.439 11.673 -16.300 1.00 30.42 C ATOM 564 C LYS A 61 -11.264 12.659 -15.486 1.00 21.72 C ATOM 565 O LYS A 61 -10.952 12.931 -14.324 1.00 22.32 O ATOM 566 CB LYS A 61 -10.885 10.240 -15.983 1.00 36.51 C ATOM 567 CG LYS A 61 -12.316 9.952 -16.414 1.00 41.45 C ATOM 568 CD LYS A 61 -12.732 8.539 -16.080 1.00 41.19 C ATOM 569 CE LYS A 61 -13.536 7.937 -17.215 1.00 42.35 C ATOM 570 NZ LYS A 61 -14.684 8.801 -17.617 1.00 47.79 N ATOM 571 HZ1 LYS A 61 -15.320 8.930 -16.804 1.00 0.00 H ATOM 572 HZ2 LYS A 61 -14.327 9.726 -17.930 1.00 0.00 H ATOM 573 HZ3 LYS A 61 -15.202 8.347 -18.396 1.00 0.00 H ATOM 574 H LYS A 61 -8.688 12.344 -15.189 1.00 0.00 H ATOM 575 N THR A 62 -12.323 13.169 -16.112 1.00 19.11 N ATOM 576 CA THR A 62 -13.264 14.089 -15.487 1.00 17.80 C ATOM 577 C THR A 62 -14.679 13.582 -15.736 1.00 21.66 C ATOM 578 O THR A 62 -15.004 13.171 -16.855 1.00 21.35 O ATOM 579 CB THR A 62 -13.067 15.508 -16.040 1.00 22.79 C ATOM 580 OG1 THR A 62 -11.765 15.980 -15.668 1.00 30.28 O ATOM 581 CG2 THR A 62 -14.127 16.476 -15.499 1.00 19.96 C ATOM 582 HG1 THR A 62 -11.633 16.895 -16.022 1.00 0.00 H ATOM 583 H THR A 62 -12.487 12.895 -17.102 1.00 0.00 H ATOM 584 N THR A 63 -15.501 13.572 -14.683 1.00 18.54 N ATOM 585 CA THR A 63 -16.886 13.132 -14.731 1.00 16.95 C ATOM 586 C THR A 63 -17.718 14.141 -13.951 1.00 15.85 C ATOM 587 O THR A 63 -17.187 14.911 -13.150 1.00 17.76 O ATOM 588 CB THR A 63 -17.061 11.761 -14.059 1.00 25.76 C ATOM 589 OG1 THR A 63 -16.896 11.901 -12.639 1.00 32.91 O ATOM 590 CG2 THR A 63 -16.041 10.767 -14.568 1.00 26.33 C ATOM 591 HG1 THR A 63 -17.576 12.530 -12.289 1.00 0.00 H ATOM 592 H THR A 63 -15.126 13.900 -13.770 1.00 0.00 H ATOM 593 N GLN A 64 -19.028 14.149 -14.192 1.00 13.68 N ATOM 594 CA GLN A 64 -19.907 15.038 -13.443 1.00 14.03 C ATOM 595 C GLN A 64 -21.323 14.485 -13.494 1.00 13.91 C ATOM 596 O GLN A 64 -21.748 13.979 -14.536 1.00 17.08 O ATOM 597 CB GLN A 64 -19.865 16.441 -14.073 1.00 22.31 C ATOM 598 CG GLN A 64 -20.872 17.438 -13.541 1.00 31.89 C ATOM 599 CD GLN A 64 -20.827 18.764 -14.283 1.00 37.38 C ATOM 600 OE1 GLN A 64 -19.843 19.079 -14.957 1.00 45.62 O ATOM 601 NE2 GLN A 64 -21.895 19.544 -14.168 1.00 37.88 N ATOM 602 HE22 GLN A 64 -22.703 19.238 -13.589 1.00 0.00 H ATOM 603 HE21 GLN A 64 -21.924 20.461 -14.657 1.00 0.00 H ATOM 604 H GLN A 64 -19.425 13.518 -14.917 1.00 0.00 H ATOM 605 N PHE A 65 -22.042 14.571 -12.378 1.00 12.01 N ATOM 606 CA PHE A 65 -23.469 14.294 -12.386 1.00 13.94 C ATOM 607 C PHE A 65 -24.186 15.323 -11.527 1.00 14.26 C ATOM 608 O PHE A 65 -23.599 15.930 -10.629 1.00 13.53 O ATOM 609 CB PHE A 65 -23.811 12.865 -11.931 1.00 13.43 C ATOM 610 CG PHE A 65 -23.633 12.631 -10.457 1.00 13.27 C ATOM 611 CD1 PHE A 65 -24.653 12.917 -9.564 1.00 14.80 C ATOM 612 CD2 PHE A 65 -22.435 12.138 -9.963 1.00 18.38 C ATOM 613 CE1 PHE A 65 -24.494 12.716 -8.197 1.00 14.09 C ATOM 614 CE2 PHE A 65 -22.264 11.919 -8.599 1.00 20.88 C ATOM 615 CZ PHE A 65 -23.284 12.204 -7.714 1.00 17.29 C ATOM 616 H PHE A 65 -21.577 14.840 -11.488 1.00 0.00 H ATOM 617 N SER A 66 -25.464 15.515 -11.823 1.00 13.86 N ATOM 618 CA SER A 66 -26.334 16.395 -11.065 1.00 15.02 C ATOM 619 C SER A 66 -27.616 15.651 -10.761 1.00 13.47 C ATOM 620 O SER A 66 -28.059 14.812 -11.551 1.00 16.44 O ATOM 621 CB SER A 66 -26.696 17.643 -11.857 1.00 19.28 C ATOM 622 OG SER A 66 -25.533 18.386 -12.141 1.00 25.76 O ATOM 623 HG SER A 66 -25.098 18.652 -11.293 1.00 0.00 H ATOM 624 H SER A 66 -25.863 15.009 -12.640 1.00 0.00 H ATOM 625 N CYS A 67 -28.216 15.978 -9.629 1.00 12.69 N ATOM 626 CA CYS A 67 -29.456 15.318 -9.254 1.00 13.01 C ATOM 627 C CYS A 67 -30.216 16.177 -8.254 1.00 12.71 C ATOM 628 O CYS A 67 -29.714 17.177 -7.740 1.00 15.14 O ATOM 629 CB CYS A 67 -29.168 13.941 -8.665 1.00 13.28 C ATOM 630 SG CYS A 67 -28.321 13.997 -7.073 1.00 15.07 S ATOM 631 H CYS A 67 -27.803 16.704 -9.010 1.00 0.00 H ATOM 632 N THR A 68 -31.456 15.780 -8.005 1.00 13.27 N ATOM 633 CA THR A 68 -32.247 16.302 -6.903 1.00 13.10 C ATOM 634 C THR A 68 -32.232 15.268 -5.789 1.00 12.64 C ATOM 635 O THR A 68 -32.505 14.087 -6.035 1.00 13.40 O ATOM 636 CB THR A 68 -33.682 16.546 -7.371 1.00 16.59 C ATOM 637 OG1 THR A 68 -33.682 17.568 -8.376 1.00 19.27 O ATOM 638 CG2 THR A 68 -34.559 16.982 -6.220 1.00 15.68 C ATOM 639 HG1 THR A 68 -33.127 17.276 -9.142 1.00 0.00 H ATOM 640 H THR A 68 -31.882 15.063 -8.626 1.00 0.00 H ATOM 641 N LEU A 69 -31.873 15.696 -4.578 1.00 14.38 N ATOM 642 CA LEU A 69 -31.847 14.769 -3.457 1.00 13.24 C ATOM 643 C LEU A 69 -33.190 14.064 -3.336 1.00 15.81 C ATOM 644 O LEU A 69 -34.252 14.684 -3.443 1.00 15.97 O ATOM 645 CB LEU A 69 -31.516 15.509 -2.157 1.00 16.89 C ATOM 646 CG LEU A 69 -30.136 16.169 -2.131 1.00 18.71 C ATOM 647 CD1 LEU A 69 -29.965 17.002 -0.871 1.00 23.16 C ATOM 648 CD2 LEU A 69 -29.025 15.140 -2.216 1.00 16.03 C ATOM 649 H LEU A 69 -31.612 16.692 -4.435 1.00 0.00 H ATOM 650 N GLY A 70 -33.131 12.751 -3.144 1.00 16.21 N ATOM 651 CA GLY A 70 -34.319 11.951 -2.986 1.00 14.90 C ATOM 652 C GLY A 70 -34.929 11.411 -4.256 1.00 14.02 C ATOM 653 O GLY A 70 -35.856 10.599 -4.168 1.00 19.13 O ATOM 654 H GLY A 70 -32.201 12.287 -3.107 1.00 0.00 H ATOM 655 N GLU A 71 -34.454 11.825 -5.426 1.00 12.00 N ATOM 656 CA GLU A 71 -35.048 11.432 -6.698 1.00 11.95 C ATOM 657 C GLU A 71 -34.146 10.465 -7.458 1.00 14.35 C ATOM 658 O GLU A 71 -32.951 10.724 -7.626 1.00 15.42 O ATOM 659 CB GLU A 71 -35.290 12.673 -7.555 1.00 15.71 C ATOM 660 CG GLU A 71 -36.290 13.629 -6.915 1.00 29.78 C ATOM 661 CD GLU A 71 -36.890 14.618 -7.898 1.00 46.79 C ATOM 662 OE1 GLU A 71 -36.344 14.762 -9.012 1.00 50.28 O ATOM 663 OE2 GLU A 71 -37.912 15.252 -7.548 1.00 49.24 O ATOM 664 H GLU A 71 -33.626 12.454 -5.435 1.00 0.00 H ATOM 665 N LYS A 72 -34.720 9.359 -7.922 1.00 13.92 N ATOM 666 CA LYS A 72 -33.972 8.399 -8.724 1.00 15.40 C ATOM 667 C LYS A 72 -33.616 8.997 -10.082 1.00 12.57 C ATOM 668 O LYS A 72 -34.428 9.681 -10.713 1.00 14.76 O ATOM 669 CB LYS A 72 -34.821 7.147 -8.957 1.00 16.78 C ATOM 670 CG LYS A 72 -35.224 6.380 -7.708 1.00 26.75 C ATOM 671 CD LYS A 72 -34.666 4.967 -7.746 1.00 41.60 C ATOM 672 CE LYS A 72 -34.864 4.224 -6.436 1.00 46.55 C ATOM 673 NZ LYS A 72 -33.603 3.532 -6.026 1.00 52.27 N ATOM 674 HZ1 LYS A 72 -33.328 2.850 -6.762 1.00 0.00 H ATOM 675 HZ2 LYS A 72 -32.847 4.236 -5.904 1.00 0.00 H ATOM 676 HZ3 LYS A 72 -33.760 3.031 -5.129 1.00 0.00 H ATOM 677 H LYS A 72 -35.721 9.176 -7.709 1.00 0.00 H ATOM 678 N PHE A 73 -32.391 8.741 -10.539 1.00 10.31 N ATOM 679 CA PHE A 73 -31.951 9.267 -11.828 1.00 8.90 C ATOM 680 C PHE A 73 -30.954 8.303 -12.469 1.00 10.30 C ATOM 681 O PHE A 73 -30.361 7.454 -11.797 1.00 12.20 O ATOM 682 CB PHE A 73 -31.310 10.663 -11.673 1.00 12.62 C ATOM 683 CG PHE A 73 -30.012 10.671 -10.894 1.00 10.80 C ATOM 684 CD1 PHE A 73 -30.026 10.591 -9.514 1.00 13.52 C ATOM 685 CD2 PHE A 73 -28.789 10.783 -11.545 1.00 11.86 C ATOM 686 CE1 PHE A 73 -28.850 10.599 -8.763 1.00 11.38 C ATOM 687 CE2 PHE A 73 -27.609 10.798 -10.806 1.00 12.16 C ATOM 688 CZ PHE A 73 -27.638 10.704 -9.421 1.00 11.37 C ATOM 689 H PHE A 73 -31.741 8.160 -9.971 1.00 0.00 H ATOM 690 N GLU A 74 -30.769 8.432 -13.784 1.00 9.98 N ATOM 691 CA GLU A 74 -29.741 7.663 -14.494 1.00 9.92 C ATOM 692 C GLU A 74 -28.370 8.328 -14.381 1.00 11.81 C ATOM 693 O GLU A 74 -28.140 9.415 -14.929 1.00 11.58 O ATOM 694 CB GLU A 74 -30.109 7.483 -15.964 1.00 13.06 C ATOM 695 CG GLU A 74 -29.046 6.699 -16.732 1.00 12.62 C ATOM 696 CD GLU A 74 -29.154 6.924 -18.230 1.00 18.18 C ATOM 697 OE1 GLU A 74 -30.050 6.299 -18.839 1.00 18.30 O ATOM 698 OE2 GLU A 74 -28.384 7.734 -18.793 1.00 15.18 O ATOM 699 H GLU A 74 -31.368 9.093 -14.318 1.00 0.00 H ATOM 700 N GLU A 75 -27.448 7.672 -13.686 1.00 11.18 N ATOM 701 CA GLU A 75 -26.081 8.148 -13.566 1.00 11.04 C ATOM 702 C GLU A 75 -25.201 7.314 -14.477 1.00 11.01 C ATOM 703 O GLU A 75 -25.216 6.082 -14.389 1.00 14.58 O ATOM 704 CB GLU A 75 -25.614 7.966 -12.122 1.00 11.73 C ATOM 705 CG GLU A 75 -24.191 8.469 -11.898 1.00 13.57 C ATOM 706 CD GLU A 75 -23.603 8.051 -10.552 1.00 15.49 C ATOM 707 OE1 GLU A 75 -24.332 7.447 -9.716 1.00 14.24 O ATOM 708 OE2 GLU A 75 -22.391 8.317 -10.333 1.00 14.29 O ATOM 709 H GLU A 75 -27.714 6.786 -13.211 1.00 0.00 H ATOM 710 N THR A 76 -24.426 7.969 -15.341 1.00 9.41 N ATOM 711 CA THR A 76 -23.338 7.293 -16.038 1.00 11.12 C ATOM 712 C THR A 76 -22.100 7.434 -15.165 1.00 10.12 C ATOM 713 O THR A 76 -21.651 8.551 -14.903 1.00 12.88 O ATOM 714 CB THR A 76 -23.098 7.902 -17.421 1.00 9.66 C ATOM 715 OG1 THR A 76 -24.306 7.837 -18.187 1.00 11.32 O ATOM 716 CG2 THR A 76 -21.986 7.155 -18.155 1.00 13.78 C ATOM 717 HG1 THR A 76 -25.018 8.343 -17.722 1.00 0.00 H ATOM 718 H THR A 76 -24.600 8.978 -15.521 1.00 0.00 H ATOM 719 N THR A 77 -21.558 6.306 -14.700 1.00 10.76 N ATOM 720 CA THR A 77 -20.435 6.334 -13.773 1.00 11.51 C ATOM 721 C THR A 77 -19.119 6.481 -14.536 1.00 12.97 C ATOM 722 O THR A 77 -19.069 6.379 -15.766 1.00 14.80 O ATOM 723 CB THR A 77 -20.403 5.054 -12.942 1.00 10.11 C ATOM 724 OG1 THR A 77 -20.100 3.949 -13.803 1.00 12.50 O ATOM 725 CG2 THR A 77 -21.771 4.823 -12.272 1.00 11.27 C ATOM 726 HG1 THR A 77 -19.218 4.095 -14.228 1.00 0.00 H ATOM 727 H THR A 77 -21.945 5.390 -15.005 1.00 0.00 H ATOM 728 N ALA A 78 -18.034 6.715 -13.781 1.00 12.96 N ATOM 729 CA ALA A 78 -16.727 6.923 -14.405 1.00 14.96 C ATOM 730 C ALA A 78 -16.318 5.733 -15.259 1.00 17.09 C ATOM 731 O ALA A 78 -15.693 5.897 -16.311 1.00 18.59 O ATOM 732 CB ALA A 78 -15.672 7.189 -13.335 1.00 14.60 C ATOM 733 H ALA A 78 -18.123 6.749 -12.745 1.00 0.00 H ATOM 734 N ASP A 79 -16.666 4.530 -14.827 1.00 14.85 N ATOM 735 CA ASP A 79 -16.337 3.318 -15.557 1.00 16.96 C ATOM 736 C ASP A 79 -17.371 2.955 -16.611 1.00 15.67 C ATOM 737 O ASP A 79 -17.203 1.938 -17.291 1.00 21.18 O ATOM 738 CB ASP A 79 -16.140 2.149 -14.588 1.00 16.64 C ATOM 739 CG ASP A 79 -17.329 1.949 -13.664 1.00 16.83 C ATOM 740 OD1 ASP A 79 -17.724 2.905 -12.968 1.00 16.58 O ATOM 741 OD2 ASP A 79 -17.865 0.823 -13.641 1.00 20.73 O ATOM 742 H ASP A 79 -17.193 4.451 -13.934 1.00 0.00 H ATOM 743 N GLY A 80 -18.426 3.753 -16.764 1.00 13.85 N ATOM 744 CA GLY A 80 -19.356 3.608 -17.868 1.00 16.68 C ATOM 745 C GLY A 80 -20.625 2.837 -17.585 1.00 13.81 C ATOM 746 O GLY A 80 -21.398 2.596 -18.517 1.00 17.49 O ATOM 747 H GLY A 80 -18.589 4.507 -16.067 1.00 0.00 H ATOM 748 N ARG A 81 -20.860 2.427 -16.344 1.00 12.49 N ATOM 749 CA ARG A 81 -22.139 1.843 -15.990 1.00 10.69 C ATOM 750 C ARG A 81 -23.227 2.904 -16.102 1.00 11.67 C ATOM 751 O ARG A 81 -22.990 4.098 -15.900 1.00 14.59 O ATOM 752 CB ARG A 81 -22.097 1.313 -14.558 1.00 12.76 C ATOM 753 CG ARG A 81 -21.305 0.016 -14.388 1.00 15.01 C ATOM 754 CD ARG A 81 -21.104 -0.302 -12.902 1.00 15.81 C ATOM 755 NE ARG A 81 -20.233 0.695 -12.289 1.00 14.31 N ATOM 756 CZ ARG A 81 -20.459 1.338 -11.153 1.00 15.98 C ATOM 757 NH1 ARG A 81 -21.527 1.060 -10.403 1.00 14.88 N ATOM 758 NH2 ARG A 81 -19.580 2.252 -10.744 1.00 14.09 N ATOM 759 HE ARG A 81 -19.351 0.922 -12.791 1.00 0.00 H ATOM 760 HH12 ARG A 81 -21.687 1.576 -9.514 1.00 0.00 H ATOM 761 HH11 ARG A 81 -22.200 0.327 -10.707 1.00 0.00 H ATOM 762 HH22 ARG A 81 -19.741 2.767 -9.855 1.00 0.00 H ATOM 763 HH21 ARG A 81 -18.733 2.451 -11.314 1.00 0.00 H ATOM 764 H ARG A 81 -20.120 2.526 -15.620 1.00 0.00 H ATOM 765 N LYS A 82 -24.426 2.479 -16.452 1.00 13.22 N ATOM 766 CA LYS A 82 -25.589 3.365 -16.394 1.00 12.68 C ATOM 767 C LYS A 82 -26.461 2.837 -15.265 1.00 15.85 C ATOM 768 O LYS A 82 -27.156 1.832 -15.420 1.00 17.50 O ATOM 769 CB LYS A 82 -26.312 3.438 -17.740 1.00 14.02 C ATOM 770 CG LYS A 82 -25.448 4.179 -18.754 1.00 17.63 C ATOM 771 CD LYS A 82 -26.124 4.528 -20.040 1.00 19.00 C ATOM 772 CE LYS A 82 -25.097 5.127 -20.998 1.00 15.75 C ATOM 773 NZ LYS A 82 -24.824 6.561 -20.709 1.00 13.38 N ATOM 774 HZ1 LYS A 82 -25.705 7.105 -20.799 1.00 0.00 H ATOM 775 HZ2 LYS A 82 -24.455 6.654 -19.741 1.00 0.00 H ATOM 776 HZ3 LYS A 82 -24.121 6.922 -21.385 1.00 0.00 H ATOM 777 H LYS A 82 -24.547 1.498 -16.775 1.00 0.00 H ATOM 778 N THR A 83 -26.390 3.497 -14.119 1.00 10.63 N ATOM 779 CA THR A 83 -27.040 3.012 -12.908 1.00 11.54 C ATOM 780 C THR A 83 -28.274 3.841 -12.606 1.00 12.37 C ATOM 781 O THR A 83 -28.420 4.979 -13.060 1.00 12.94 O ATOM 782 CB THR A 83 -26.094 3.084 -11.703 1.00 13.31 C ATOM 783 OG1 THR A 83 -25.803 4.453 -11.386 1.00 13.13 O ATOM 784 CG2 THR A 83 -24.781 2.342 -11.981 1.00 12.38 C ATOM 785 HG1 THR A 83 -26.645 4.926 -11.168 1.00 0.00 H ATOM 786 H THR A 83 -25.855 4.388 -14.082 1.00 0.00 H ATOM 787 N GLN A 84 -29.184 3.248 -11.841 1.00 10.99 N ATOM 788 CA GLN A 84 -30.256 3.998 -11.203 1.00 12.04 C ATOM 789 C GLN A 84 -29.728 4.419 -9.844 1.00 11.57 C ATOM 790 O GLN A 84 -29.480 3.577 -8.972 1.00 12.52 O ATOM 791 CB GLN A 84 -31.514 3.151 -11.048 1.00 13.84 C ATOM 792 CG GLN A 84 -32.674 3.999 -10.551 1.00 23.07 C ATOM 793 CD GLN A 84 -33.967 3.226 -10.419 1.00 32.72 C ATOM 794 OE1 GLN A 84 -34.082 2.318 -9.595 1.00 42.11 O ATOM 795 NE2 GLN A 84 -34.962 3.603 -11.214 1.00 37.73 N ATOM 796 HE22 GLN A 84 -34.819 4.376 -11.895 1.00 0.00 H ATOM 797 HE21 GLN A 84 -35.884 3.126 -11.155 1.00 0.00 H ATOM 798 H GLN A 84 -29.129 2.220 -11.694 1.00 0.00 H ATOM 799 N THR A 85 -29.545 5.720 -9.664 1.00 10.99 N ATOM 800 CA THR A 85 -28.917 6.258 -8.468 1.00 10.99 C ATOM 801 C THR A 85 -29.893 7.139 -7.701 1.00 13.13 C ATOM 802 O THR A 85 -30.785 7.761 -8.283 1.00 12.57 O ATOM 803 CB THR A 85 -27.665 7.048 -8.863 1.00 13.43 C ATOM 804 OG1 THR A 85 -26.747 6.152 -9.499 1.00 11.48 O ATOM 805 CG2 THR A 85 -26.989 7.697 -7.656 1.00 15.04 C ATOM 806 HG1 THR A 85 -25.931 6.648 -9.761 1.00 0.00 H ATOM 807 H THR A 85 -29.862 6.378 -10.404 1.00 0.00 H ATOM 808 N VAL A 86 -29.749 7.161 -6.380 1.00 12.54 N ATOM 809 CA VAL A 86 -30.433 8.133 -5.532 1.00 11.60 C ATOM 810 C VAL A 86 -29.427 8.644 -4.521 1.00 12.39 C ATOM 811 O VAL A 86 -28.659 7.857 -3.957 1.00 12.22 O ATOM 812 CB VAL A 86 -31.624 7.531 -4.763 1.00 14.64 C ATOM 813 CG1 VAL A 86 -32.435 8.641 -4.107 1.00 17.43 C ATOM 814 CG2 VAL A 86 -32.477 6.726 -5.664 1.00 16.31 C ATOM 815 H VAL A 86 -29.125 6.459 -5.933 1.00 0.00 H ATOM 816 N CYS A 87 -29.428 9.955 -4.299 1.00 13.44 N ATOM 817 CA CYS A 87 -28.607 10.604 -3.290 1.00 12.99 C ATOM 818 C CYS A 87 -29.520 11.213 -2.237 1.00 12.51 C ATOM 819 O CYS A 87 -30.523 11.849 -2.581 1.00 14.59 O ATOM 820 CB CYS A 87 -27.765 11.717 -3.911 1.00 11.97 C ATOM 821 SG CYS A 87 -26.550 11.092 -5.098 1.00 15.23 S ATOM 822 H CYS A 87 -30.052 10.550 -4.881 1.00 0.00 H ATOM 823 N ASN A 88 -29.193 10.986 -0.966 1.00 12.65 N ATOM 824 CA ASN A 88 -29.886 11.609 0.153 1.00 14.55 C ATOM 825 C ASN A 88 -28.863 12.043 1.185 1.00 17.92 C ATOM 826 O ASN A 88 -27.820 11.407 1.348 1.00 17.17 O ATOM 827 CB ASN A 88 -30.808 10.616 0.863 1.00 19.70 C ATOM 828 CG ASN A 88 -32.032 10.269 0.054 1.00 22.39 C ATOM 829 OD1 ASN A 88 -32.960 11.071 -0.057 1.00 21.61 O ATOM 830 ND2 ASN A 88 -32.053 9.065 -0.505 1.00 21.16 N ATOM 831 HD22 ASN A 88 -31.245 8.421 -0.384 1.00 0.00 H ATOM 832 HD21 ASN A 88 -32.877 8.766 -1.064 1.00 0.00 H ATOM 833 H ASN A 88 -28.408 10.335 -0.764 1.00 0.00 H ATOM 834 N PHE A 89 -29.177 13.115 1.908 1.00 16.37 N ATOM 835 CA PHE A 89 -28.391 13.501 3.073 1.00 17.97 C ATOM 836 C PHE A 89 -29.110 12.981 4.312 1.00 16.99 C ATOM 837 O PHE A 89 -30.198 13.458 4.653 1.00 20.01 O ATOM 838 CB PHE A 89 -28.157 15.008 3.142 1.00 18.35 C ATOM 839 CG PHE A 89 -27.112 15.396 4.140 1.00 20.11 C ATOM 840 CD1 PHE A 89 -25.760 15.299 3.828 1.00 19.82 C ATOM 841 CD2 PHE A 89 -27.474 15.822 5.401 1.00 21.71 C ATOM 842 CE1 PHE A 89 -24.791 15.643 4.761 1.00 21.20 C ATOM 843 CE2 PHE A 89 -26.511 16.169 6.336 1.00 20.07 C ATOM 844 CZ PHE A 89 -25.174 16.080 6.020 1.00 23.36 C ATOM 845 H PHE A 89 -30.000 13.689 1.636 1.00 0.00 H ATOM 846 N THR A 90 -28.496 11.999 4.975 1.00 19.77 N ATOM 847 CA THR A 90 -29.126 11.257 6.058 1.00 24.34 C ATOM 848 C THR A 90 -28.092 11.020 7.142 1.00 26.44 C ATOM 849 O THR A 90 -26.962 10.618 6.846 1.00 24.95 O ATOM 850 CB THR A 90 -29.617 9.901 5.546 1.00 29.25 C ATOM 851 OG1 THR A 90 -30.370 10.083 4.338 1.00 31.15 O ATOM 852 CG2 THR A 90 -30.487 9.228 6.591 1.00 30.95 C ATOM 853 HG1 THR A 90 -30.685 9.203 4.011 1.00 0.00 H ATOM 854 H THR A 90 -27.522 11.752 4.706 1.00 0.00 H ATOM 855 N ASP A 91 -28.478 11.267 8.392 1.00 31.45 N ATOM 856 CA ASP A 91 -27.607 11.006 9.539 1.00 34.66 C ATOM 857 C ASP A 91 -26.236 11.660 9.363 1.00 30.65 C ATOM 858 O ASP A 91 -25.196 11.068 9.656 1.00 28.56 O ATOM 859 CB ASP A 91 -27.486 9.503 9.811 1.00 45.30 C ATOM 860 CG ASP A 91 -27.096 9.195 11.246 1.00 58.71 C ATOM 861 OD1 ASP A 91 -27.447 9.989 12.146 1.00 63.00 O ATOM 862 OD2 ASP A 91 -26.445 8.153 11.474 1.00 63.14 O ATOM 863 H ASP A 91 -29.427 11.657 8.559 1.00 0.00 H ATOM 864 N GLY A 92 -26.236 12.890 8.851 1.00 27.05 N ATOM 865 CA GLY A 92 -25.006 13.638 8.691 1.00 24.89 C ATOM 866 C GLY A 92 -24.076 13.155 7.598 1.00 24.11 C ATOM 867 O GLY A 92 -22.882 13.452 7.645 1.00 24.89 O ATOM 868 H GLY A 92 -27.137 13.321 8.561 1.00 0.00 H ATOM 869 N ALA A 93 -24.579 12.422 6.611 1.00 20.57 N ATOM 870 CA ALA A 93 -23.747 11.969 5.507 1.00 16.75 C ATOM 871 C ALA A 93 -24.537 12.054 4.212 1.00 14.90 C ATOM 872 O ALA A 93 -25.751 11.831 4.184 1.00 16.10 O ATOM 873 CB ALA A 93 -23.277 10.523 5.710 1.00 20.47 C ATOM 874 H ALA A 93 -25.587 12.167 6.628 1.00 0.00 H ATOM 875 N LEU A 94 -23.837 12.345 3.125 1.00 15.86 N ATOM 876 CA LEU A 94 -24.446 12.204 1.812 1.00 16.76 C ATOM 877 C LEU A 94 -24.330 10.745 1.395 1.00 15.71 C ATOM 878 O LEU A 94 -23.224 10.200 1.345 1.00 20.44 O ATOM 879 CB LEU A 94 -23.737 13.109 0.816 1.00 12.89 C ATOM 880 CG LEU A 94 -24.292 13.076 -0.598 1.00 16.59 C ATOM 881 CD1 LEU A 94 -25.750 13.537 -0.622 1.00 20.32 C ATOM 882 CD2 LEU A 94 -23.431 13.963 -1.490 1.00 23.46 C ATOM 883 H LEU A 94 -22.854 12.674 3.211 1.00 0.00 H ATOM 884 N VAL A 95 -25.462 10.099 1.130 1.00 13.53 N ATOM 885 CA VAL A 95 -25.498 8.675 0.818 1.00 14.85 C ATOM 886 C VAL A 95 -25.963 8.515 -0.622 1.00 17.17 C ATOM 887 O VAL A 95 -27.059 8.963 -0.979 1.00 18.11 O ATOM 888 CB VAL A 95 -26.431 7.915 1.772 1.00 17.21 C ATOM 889 CG1 VAL A 95 -26.422 6.417 1.427 1.00 18.67 C ATOM 890 CG2 VAL A 95 -26.018 8.165 3.207 1.00 18.31 C ATOM 891 H VAL A 95 -26.356 10.630 1.146 1.00 0.00 H ATOM 892 N GLN A 96 -25.148 7.853 -1.440 1.00 12.76 N ATOM 893 CA GLN A 96 -25.427 7.639 -2.853 1.00 13.11 C ATOM 894 C GLN A 96 -25.571 6.140 -3.089 1.00 14.44 C ATOM 895 O GLN A 96 -24.622 5.378 -2.886 1.00 17.11 O ATOM 896 CB GLN A 96 -24.301 8.246 -3.695 1.00 12.59 C ATOM 897 CG GLN A 96 -24.406 8.022 -5.186 1.00 12.97 C ATOM 898 CD GLN A 96 -23.221 8.606 -5.947 1.00 21.63 C ATOM 899 OE1 GLN A 96 -22.355 9.272 -5.369 1.00 22.33 O ATOM 900 NE2 GLN A 96 -23.175 8.354 -7.249 1.00 18.77 N ATOM 901 HE22 GLN A 96 -23.925 7.789 -7.696 1.00 0.00 H ATOM 902 HE21 GLN A 96 -22.389 8.722 -7.822 1.00 0.00 H ATOM 903 H GLN A 96 -24.265 7.468 -1.049 1.00 0.00 H ATOM 904 N HIS A 97 -26.756 5.722 -3.498 1.00 11.44 N ATOM 905 CA HIS A 97 -27.070 4.314 -3.714 1.00 10.36 C ATOM 906 C HIS A 97 -27.212 4.081 -5.208 1.00 13.38 C ATOM 907 O HIS A 97 -28.026 4.731 -5.867 1.00 14.10 O ATOM 908 CB HIS A 97 -28.376 3.926 -3.019 1.00 14.59 C ATOM 909 CG HIS A 97 -28.249 3.705 -1.542 1.00 15.24 C ATOM 910 ND1 HIS A 97 -27.515 2.669 -1.001 1.00 16.03 N ATOM 911 CD2 HIS A 97 -28.793 4.365 -0.491 1.00 15.69 C ATOM 912 CE1 HIS A 97 -27.605 2.708 0.317 1.00 14.17 C ATOM 913 NE2 HIS A 97 -28.370 3.731 0.652 1.00 16.88 N ATOM 914 H HIS A 97 -27.498 6.429 -3.674 1.00 0.00 H ATOM 915 N GLN A 98 -26.418 3.147 -5.743 1.00 12.89 N ATOM 916 CA GLN A 98 -26.426 2.822 -7.172 1.00 12.16 C ATOM 917 C GLN A 98 -26.946 1.406 -7.376 1.00 12.37 C ATOM 918 O GLN A 98 -26.491 0.476 -6.702 1.00 12.78 O ATOM 919 CB GLN A 98 -25.018 2.896 -7.778 1.00 11.17 C ATOM 920 CG GLN A 98 -24.353 4.243 -7.663 1.00 11.06 C ATOM 921 CD GLN A 98 -22.923 4.216 -8.169 1.00 13.85 C ATOM 922 OE1 GLN A 98 -22.239 3.186 -8.101 1.00 18.84 O ATOM 923 NE2 GLN A 98 -22.456 5.347 -8.668 1.00 15.36 N ATOM 924 HE22 GLN A 98 -23.065 6.189 -8.706 1.00 0.00 H ATOM 925 HE21 GLN A 98 -21.479 5.395 -9.022 1.00 0.00 H ATOM 926 H GLN A 98 -25.767 2.629 -5.118 1.00 0.00 H ATOM 927 N GLU A 99 -27.852 1.230 -8.335 1.00 11.31 N ATOM 928 CA GLU A 99 -28.396 -0.081 -8.680 1.00 12.33 C ATOM 929 C GLU A 99 -28.291 -0.273 -10.183 1.00 14.59 C ATOM 930 O GLU A 99 -28.634 0.631 -10.950 1.00 12.66 O ATOM 931 CB GLU A 99 -29.858 -0.229 -8.234 1.00 12.56 C ATOM 932 CG GLU A 99 -29.983 -0.269 -6.725 1.00 18.29 C ATOM 933 CD GLU A 99 -31.401 -0.455 -6.230 1.00 31.63 C ATOM 934 OE1 GLU A 99 -32.333 -0.469 -7.059 1.00 31.91 O ATOM 935 OE2 GLU A 99 -31.575 -0.585 -5.002 1.00 33.65 O ATOM 936 H GLU A 99 -28.187 2.062 -8.862 1.00 0.00 H ATOM 937 N TRP A 100 -27.804 -1.434 -10.603 1.00 12.06 N ATOM 938 CA TRP A 100 -27.744 -1.748 -12.022 1.00 11.88 C ATOM 939 C TRP A 100 -27.602 -3.254 -12.177 1.00 15.78 C ATOM 940 O TRP A 100 -26.867 -3.892 -11.424 1.00 15.67 O ATOM 941 CB TRP A 100 -26.552 -1.050 -12.705 1.00 13.66 C ATOM 942 CG TRP A 100 -25.218 -1.698 -12.372 1.00 11.71 C ATOM 943 CD1 TRP A 100 -24.497 -2.527 -13.171 1.00 13.83 C ATOM 944 CD2 TRP A 100 -24.499 -1.611 -11.128 1.00 13.16 C ATOM 945 NE1 TRP A 100 -23.365 -2.957 -12.510 1.00 13.72 N ATOM 946 CE2 TRP A 100 -23.340 -2.405 -11.258 1.00 13.35 C ATOM 947 CE3 TRP A 100 -24.726 -0.937 -9.926 1.00 12.03 C ATOM 948 CZ2 TRP A 100 -22.414 -2.556 -10.215 1.00 12.75 C ATOM 949 CZ3 TRP A 100 -23.792 -1.062 -8.899 1.00 13.54 C ATOM 950 CH2 TRP A 100 -22.654 -1.876 -9.051 1.00 12.85 C ATOM 951 HE1 TRP A 100 -22.646 -3.598 -12.901 1.00 0.00 H ATOM 952 H TRP A 100 -27.461 -2.128 -9.909 1.00 0.00 H ATOM 953 N ASP A 101 -28.314 -3.810 -13.154 1.00 15.02 N ATOM 954 CA ASP A 101 -28.161 -5.223 -13.512 1.00 18.96 C ATOM 955 C ASP A 101 -28.228 -6.149 -12.289 1.00 13.78 C ATOM 956 O ASP A 101 -27.493 -7.138 -12.190 1.00 18.92 O ATOM 957 CB ASP A 101 -26.868 -5.427 -14.299 1.00 25.25 C ATOM 958 CG ASP A 101 -26.986 -6.520 -15.327 1.00 38.28 C ATOM 959 OD1 ASP A 101 -27.927 -7.333 -15.210 1.00 37.21 O ATOM 960 OD2 ASP A 101 -26.153 -6.556 -16.256 1.00 45.51 O ATOM 961 H ASP A 101 -28.997 -3.226 -13.678 1.00 0.00 H ATOM 962 N GLY A 102 -29.107 -5.827 -11.335 1.00 15.57 N ATOM 963 CA GLY A 102 -29.289 -6.644 -10.144 1.00 14.95 C ATOM 964 C GLY A 102 -28.220 -6.477 -9.089 1.00 14.27 C ATOM 965 O GLY A 102 -28.249 -7.191 -8.077 1.00 16.82 O ATOM 966 H GLY A 102 -29.679 -4.966 -11.447 1.00 0.00 H ATOM 967 N LYS A 103 -27.277 -5.571 -9.302 1.00 13.42 N ATOM 968 CA LYS A 103 -26.197 -5.271 -8.373 1.00 12.30 C ATOM 969 C LYS A 103 -26.483 -3.965 -7.650 1.00 12.11 C ATOM 970 O LYS A 103 -27.320 -3.157 -8.074 1.00 13.31 O ATOM 971 CB LYS A 103 -24.882 -5.108 -9.136 1.00 15.74 C ATOM 972 CG LYS A 103 -24.534 -6.266 -10.028 1.00 20.12 C ATOM 973 CD LYS A 103 -24.408 -7.528 -9.209 1.00 23.81 C ATOM 974 CE LYS A 103 -24.280 -8.751 -10.090 1.00 28.26 C ATOM 975 NZ LYS A 103 -24.450 -10.004 -9.288 1.00 20.11 N ATOM 976 HZ1 LYS A 103 -23.718 -10.044 -8.550 1.00 0.00 H ATOM 977 HZ2 LYS A 103 -25.391 -10.006 -8.845 1.00 0.00 H ATOM 978 HZ3 LYS A 103 -24.358 -10.830 -9.914 1.00 0.00 H ATOM 979 H LYS A 103 -27.311 -5.038 -10.194 1.00 0.00 H ATOM 980 N GLU A 104 -25.736 -3.729 -6.578 1.00 12.53 N ATOM 981 CA GLU A 104 -25.891 -2.484 -5.845 1.00 12.55 C ATOM 982 C GLU A 104 -24.559 -2.076 -5.232 1.00 12.74 C ATOM 983 O GLU A 104 -23.746 -2.926 -4.841 1.00 11.59 O ATOM 984 CB GLU A 104 -26.943 -2.651 -4.738 1.00 14.72 C ATOM 985 CG GLU A 104 -27.353 -1.363 -4.038 1.00 18.99 C ATOM 986 CD GLU A 104 -26.493 -1.035 -2.840 1.00 25.39 C ATOM 987 OE1 GLU A 104 -25.755 -1.923 -2.359 1.00 21.04 O ATOM 988 OE2 GLU A 104 -26.555 0.114 -2.370 1.00 20.56 O ATOM 989 H GLU A 104 -25.040 -4.435 -6.263 1.00 0.00 H ATOM 990 N SER A 105 -24.346 -0.763 -5.146 1.00 12.77 N ATOM 991 CA SER A 105 -23.194 -0.222 -4.445 1.00 11.07 C ATOM 992 C SER A 105 -23.595 1.061 -3.742 1.00 11.28 C ATOM 993 O SER A 105 -24.413 1.824 -4.261 1.00 15.45 O ATOM 994 CB SER A 105 -22.035 0.056 -5.416 1.00 13.46 C ATOM 995 OG SER A 105 -20.932 0.620 -4.739 1.00 15.25 O ATOM 996 HG SER A 105 -20.201 0.789 -5.385 1.00 0.00 H ATOM 997 H SER A 105 -25.021 -0.110 -5.592 1.00 0.00 H ATOM 998 N THR A 106 -23.018 1.299 -2.564 1.00 12.07 N ATOM 999 CA THR A 106 -23.268 2.504 -1.774 1.00 12.62 C ATOM 1000 C THR A 106 -21.984 3.307 -1.643 1.00 14.01 C ATOM 1001 O THR A 106 -20.911 2.752 -1.375 1.00 12.73 O ATOM 1002 CB THR A 106 -23.788 2.164 -0.368 1.00 18.00 C ATOM 1003 OG1 THR A 106 -25.070 1.536 -0.478 1.00 24.23 O ATOM 1004 CG2 THR A 106 -23.919 3.417 0.492 1.00 17.78 C ATOM 1005 HG1 THR A 106 -25.701 2.153 -0.926 1.00 0.00 H ATOM 1006 H THR A 106 -22.356 0.591 -2.187 1.00 0.00 H ATOM 1007 N ILE A 107 -22.109 4.623 -1.813 1.00 13.05 N ATOM 1008 CA ILE A 107 -21.018 5.570 -1.612 1.00 11.29 C ATOM 1009 C ILE A 107 -21.482 6.606 -0.601 1.00 12.76 C ATOM 1010 O ILE A 107 -22.519 7.247 -0.813 1.00 14.85 O ATOM 1011 CB ILE A 107 -20.673 6.286 -2.926 1.00 12.15 C ATOM 1012 CG1 ILE A 107 -20.178 5.294 -3.971 1.00 14.47 C ATOM 1013 CG2 ILE A 107 -19.652 7.409 -2.662 1.00 11.75 C ATOM 1014 CD1 ILE A 107 -20.360 5.795 -5.390 1.00 24.60 C ATOM 1015 H ILE A 107 -23.035 4.995 -2.105 1.00 0.00 H ATOM 1016 N THR A 108 -20.719 6.793 0.472 1.00 11.44 N ATOM 1017 CA THR A 108 -21.022 7.821 1.457 1.00 14.16 C ATOM 1018 C THR A 108 -19.947 8.897 1.448 1.00 14.94 C ATOM 1019 O THR A 108 -18.759 8.622 1.233 1.00 13.09 O ATOM 1020 CB THR A 108 -21.140 7.239 2.874 1.00 15.70 C ATOM 1021 OG1 THR A 108 -19.902 6.627 3.261 1.00 15.70 O ATOM 1022 CG2 THR A 108 -22.271 6.202 2.950 1.00 15.79 C ATOM 1023 HG1 THR A 108 -19.181 7.306 3.247 1.00 0.00 H ATOM 1024 H THR A 108 -19.884 6.189 0.611 1.00 0.00 H ATOM 1025 N ARG A 109 -20.362 10.126 1.720 1.00 11.60 N ATOM 1026 CA ARG A 109 -19.436 11.239 1.854 1.00 12.53 C ATOM 1027 C ARG A 109 -19.766 11.999 3.126 1.00 12.48 C ATOM 1028 O ARG A 109 -20.920 12.391 3.338 1.00 13.94 O ATOM 1029 CB ARG A 109 -19.503 12.174 0.637 1.00 12.91 C ATOM 1030 CG ARG A 109 -19.176 11.481 -0.683 1.00 12.04 C ATOM 1031 CD ARG A 109 -19.325 12.435 -1.855 1.00 15.11 C ATOM 1032 NE ARG A 109 -18.938 11.844 -3.141 1.00 15.77 N ATOM 1033 CZ ARG A 109 -19.720 11.081 -3.897 1.00 17.21 C ATOM 1034 NH1 ARG A 109 -20.945 10.774 -3.504 1.00 17.77 N ATOM 1035 NH2 ARG A 109 -19.269 10.623 -5.056 1.00 23.13 N ATOM 1036 HE ARG A 109 -17.977 12.037 -3.488 1.00 0.00 H ATOM 1037 HH12 ARG A 109 -21.549 10.176 -4.103 1.00 0.00 H ATOM 1038 HH11 ARG A 109 -21.304 11.131 -2.596 1.00 0.00 H ATOM 1039 HH22 ARG A 109 -19.877 10.025 -5.651 1.00 0.00 H ATOM 1040 HH21 ARG A 109 -18.307 10.861 -5.370 1.00 0.00 H ATOM 1041 H ARG A 109 -21.380 10.299 1.841 1.00 0.00 H ATOM 1042 N LYS A 110 -18.751 12.219 3.957 1.00 14.70 N ATOM 1043 CA LYS A 110 -18.947 12.893 5.228 1.00 15.80 C ATOM 1044 C LYS A 110 -17.757 13.797 5.524 1.00 19.16 C ATOM 1045 O LYS A 110 -16.655 13.610 5.002 1.00 19.78 O ATOM 1046 CB LYS A 110 -19.153 11.883 6.363 1.00 17.67 C ATOM 1047 CG LYS A 110 -17.912 11.085 6.713 1.00 17.91 C ATOM 1048 CD LYS A 110 -18.265 9.856 7.536 1.00 29.14 C ATOM 1049 CE LYS A 110 -17.013 9.202 8.115 1.00 33.57 C ATOM 1050 NZ LYS A 110 -17.355 8.146 9.115 1.00 37.01 N ATOM 1051 HZ1 LYS A 110 -17.894 8.571 9.896 1.00 0.00 H ATOM 1052 HZ2 LYS A 110 -17.928 7.409 8.657 1.00 0.00 H ATOM 1053 HZ3 LYS A 110 -16.479 7.725 9.486 1.00 0.00 H ATOM 1054 H LYS A 110 -17.797 11.902 3.691 1.00 0.00 H ATOM 1055 N LEU A 111 -18.006 14.797 6.371 1.00 21.25 N ATOM 1056 CA LEU A 111 -16.984 15.724 6.827 1.00 23.38 C ATOM 1057 C LEU A 111 -16.506 15.248 8.193 1.00 27.84 C ATOM 1058 O LEU A 111 -17.320 15.013 9.090 1.00 27.23 O ATOM 1059 CB LEU A 111 -17.565 17.140 6.919 1.00 26.72 C ATOM 1060 CG LEU A 111 -16.653 18.299 7.348 1.00 32.02 C ATOM 1061 CD1 LEU A 111 -15.622 18.621 6.276 1.00 33.02 C ATOM 1062 CD2 LEU A 111 -17.472 19.550 7.708 1.00 32.61 C ATOM 1063 H LEU A 111 -18.977 14.919 6.722 1.00 0.00 H ATOM 1064 N LYS A 112 -15.196 15.062 8.335 1.00 24.53 N ATOM 1065 CA LYS A 112 -14.616 14.601 9.591 1.00 29.78 C ATOM 1066 C LYS A 112 -13.271 15.279 9.781 1.00 35.28 C ATOM 1067 O LYS A 112 -12.349 15.055 8.992 1.00 27.42 O ATOM 1068 CB LYS A 112 -14.445 13.077 9.609 1.00 27.42 C ATOM 1069 CG LYS A 112 -13.861 12.547 10.918 1.00 40.59 C ATOM 1070 CD LYS A 112 -13.480 11.078 10.823 1.00 51.91 C ATOM 1071 CE LYS A 112 -14.706 10.179 10.811 1.00 60.00 C ATOM 1072 NZ LYS A 112 -14.377 8.798 10.339 1.00 63.47 N ATOM 1073 HZ1 LYS A 112 -13.996 8.845 9.372 1.00 0.00 H ATOM 1074 HZ2 LYS A 112 -13.668 8.376 10.972 1.00 0.00 H ATOM 1075 HZ3 LYS A 112 -15.239 8.216 10.345 1.00 0.00 H ATOM 1076 H LYS A 112 -14.568 15.251 7.528 1.00 0.00 H ATOM 1077 N ASP A 113 -13.163 16.097 10.829 1.00 37.87 N ATOM 1078 CA ASP A 113 -11.928 16.819 11.138 1.00 40.63 C ATOM 1079 C ASP A 113 -11.503 17.724 9.985 1.00 34.77 C ATOM 1080 O ASP A 113 -10.315 17.881 9.702 1.00 35.05 O ATOM 1081 CB ASP A 113 -10.789 15.880 11.559 1.00 49.28 C ATOM 1082 CG ASP A 113 -11.204 14.895 12.639 1.00 59.99 C ATOM 1083 OD1 ASP A 113 -12.219 15.142 13.325 1.00 63.93 O ATOM 1084 OD2 ASP A 113 -10.507 13.870 12.804 1.00 63.27 O ATOM 1085 H ASP A 113 -13.987 16.227 11.450 1.00 0.00 H ATOM 1086 N GLY A 114 -12.484 18.315 9.304 1.00 29.79 N ATOM 1087 CA GLY A 114 -12.208 19.219 8.209 1.00 29.85 C ATOM 1088 C GLY A 114 -11.869 18.552 6.893 1.00 25.67 C ATOM 1089 O GLY A 114 -11.630 19.262 5.905 1.00 25.80 O ATOM 1090 H GLY A 114 -13.472 18.122 9.566 1.00 0.00 H ATOM 1091 N LYS A 115 -11.824 17.223 6.853 1.00 22.40 N ATOM 1092 CA LYS A 115 -11.561 16.463 5.640 1.00 19.80 C ATOM 1093 C LYS A 115 -12.841 15.801 5.145 1.00 20.26 C ATOM 1094 O LYS A 115 -13.735 15.464 5.931 1.00 20.59 O ATOM 1095 CB LYS A 115 -10.515 15.375 5.901 1.00 21.96 C ATOM 1096 CG LYS A 115 -9.108 15.915 6.193 1.00 23.66 C ATOM 1097 CD LYS A 115 -8.183 14.802 6.662 1.00 31.90 C ATOM 1098 CE LYS A 115 -6.721 15.122 6.378 1.00 42.67 C ATOM 1099 NZ LYS A 115 -6.366 16.509 6.774 1.00 45.45 N ATOM 1100 HZ1 LYS A 115 -6.955 17.181 6.242 1.00 0.00 H ATOM 1101 HZ2 LYS A 115 -6.533 16.631 7.793 1.00 0.00 H ATOM 1102 HZ3 LYS A 115 -5.363 16.682 6.563 1.00 0.00 H ATOM 1103 H LYS A 115 -11.986 16.699 7.737 1.00 0.00 H ATOM 1104 N LEU A 116 -12.920 15.619 3.826 1.00 18.45 N ATOM 1105 CA LEU A 116 -14.008 14.874 3.205 1.00 14.51 C ATOM 1106 C LEU A 116 -13.628 13.400 3.161 1.00 14.41 C ATOM 1107 O LEU A 116 -12.622 13.031 2.546 1.00 15.42 O ATOM 1108 CB LEU A 116 -14.269 15.393 1.796 1.00 16.19 C ATOM 1109 CG LEU A 116 -15.434 14.734 1.054 1.00 15.43 C ATOM 1110 CD1 LEU A 116 -16.774 15.199 1.611 1.00 18.00 C ATOM 1111 CD2 LEU A 116 -15.321 15.070 -0.421 1.00 14.29 C ATOM 1112 H LEU A 116 -12.179 16.023 3.219 1.00 0.00 H ATOM 1113 N VAL A 117 -14.410 12.568 3.835 1.00 14.18 N ATOM 1114 CA VAL A 117 -14.162 11.136 3.893 1.00 13.99 C ATOM 1115 C VAL A 117 -15.189 10.455 3.003 1.00 16.51 C ATOM 1116 O VAL A 117 -16.397 10.551 3.244 1.00 14.58 O ATOM 1117 CB VAL A 117 -14.217 10.606 5.337 1.00 18.76 C ATOM 1118 CG1 VAL A 117 -13.997 9.106 5.348 1.00 17.99 C ATOM 1119 CG2 VAL A 117 -13.164 11.291 6.192 1.00 20.95 C ATOM 1120 H VAL A 117 -15.232 12.954 4.342 1.00 0.00 H ATOM 1121 N VAL A 118 -14.717 9.788 1.963 1.00 12.72 N ATOM 1122 CA VAL A 118 -15.566 9.116 0.989 1.00 11.39 C ATOM 1123 C VAL A 118 -15.388 7.609 1.141 1.00 12.33 C ATOM 1124 O VAL A 118 -14.268 7.099 1.047 1.00 13.73 O ATOM 1125 CB VAL A 118 -15.214 9.559 -0.440 1.00 11.98 C ATOM 1126 CG1 VAL A 118 -16.132 8.891 -1.418 1.00 13.55 C ATOM 1127 CG2 VAL A 118 -15.329 11.082 -0.559 1.00 13.64 C ATOM 1128 H VAL A 118 -13.686 9.741 1.834 1.00 0.00 H ATOM 1129 N GLU A 119 -16.483 6.888 1.363 1.00 12.88 N ATOM 1130 CA GLU A 119 -16.408 5.447 1.552 1.00 12.53 C ATOM 1131 C GLU A 119 -17.312 4.759 0.550 1.00 10.14 C ATOM 1132 O GLU A 119 -18.421 5.220 0.273 1.00 12.82 O ATOM 1133 CB GLU A 119 -16.796 5.053 2.971 1.00 16.33 C ATOM 1134 CG GLU A 119 -15.876 5.655 4.028 1.00 17.24 C ATOM 1135 CD GLU A 119 -16.445 5.541 5.424 1.00 20.04 C ATOM 1136 OE1 GLU A 119 -17.101 6.512 5.886 1.00 21.19 O ATOM 1137 OE2 GLU A 119 -16.235 4.476 6.045 1.00 19.44 O ATOM 1138 H GLU A 119 -17.408 7.362 1.402 1.00 0.00 H ATOM 1139 N CYS A 120 -16.840 3.664 -0.026 1.00 10.77 N ATOM 1140 CA CYS A 120 -17.605 2.939 -1.027 1.00 12.79 C ATOM 1141 C CYS A 120 -17.664 1.470 -0.645 1.00 11.46 C ATOM 1142 O CYS A 120 -16.773 0.956 0.035 1.00 11.79 O ATOM 1143 CB CYS A 120 -16.978 3.053 -2.424 1.00 15.09 C ATOM 1144 SG CYS A 120 -16.612 4.731 -2.983 1.00 21.09 S ATOM 1145 H CYS A 120 -15.899 3.314 0.245 1.00 0.00 H ATOM 1146 N VAL A 121 -18.725 0.798 -1.070 1.00 9.97 N ATOM 1147 CA VAL A 121 -18.838 -0.630 -0.814 1.00 10.05 C ATOM 1148 C VAL A 121 -19.661 -1.267 -1.915 1.00 9.10 C ATOM 1149 O VAL A 121 -20.668 -0.707 -2.376 1.00 10.33 O ATOM 1150 CB VAL A 121 -19.451 -0.921 0.572 1.00 11.79 C ATOM 1151 CG1 VAL A 121 -20.858 -0.334 0.683 1.00 13.05 C ATOM 1152 CG2 VAL A 121 -19.425 -2.435 0.866 1.00 13.78 C ATOM 1153 H VAL A 121 -19.479 1.293 -1.588 1.00 0.00 H ATOM 1154 N MET A 122 -19.236 -2.459 -2.313 1.00 9.93 N ATOM 1155 CA MET A 122 -20.088 -3.354 -3.072 1.00 8.01 C ATOM 1156 C MET A 122 -19.800 -4.757 -2.583 1.00 11.06 C ATOM 1157 O MET A 122 -18.641 -5.171 -2.580 1.00 10.63 O ATOM 1158 CB MET A 122 -19.770 -3.298 -4.571 1.00 12.33 C ATOM 1159 CG MET A 122 -20.556 -4.308 -5.398 1.00 10.59 C ATOM 1160 SD MET A 122 -20.158 -4.093 -7.152 1.00 13.40 S ATOM 1161 CE MET A 122 -21.166 -5.356 -7.871 1.00 15.34 C ATOM 1162 H MET A 122 -18.269 -2.759 -2.075 1.00 0.00 H ATOM 1163 N ASN A 123 -20.836 -5.479 -2.163 1.00 9.40 N ATOM 1164 CA ASN A 123 -20.676 -6.878 -1.762 1.00 9.53 C ATOM 1165 C ASN A 123 -19.555 -7.035 -0.729 1.00 10.41 C ATOM 1166 O ASN A 123 -18.708 -7.931 -0.819 1.00 10.47 O ATOM 1167 CB ASN A 123 -20.463 -7.801 -2.966 1.00 13.33 C ATOM 1168 CG ASN A 123 -21.609 -7.741 -3.963 1.00 12.97 C ATOM 1169 OD1 ASN A 123 -22.671 -7.234 -3.655 1.00 11.29 O ATOM 1170 ND2 ASN A 123 -21.379 -8.227 -5.177 1.00 17.33 N ATOM 1171 HD22 ASN A 123 -20.457 -8.653 -5.401 1.00 0.00 H ATOM 1172 HD21 ASN A 123 -22.121 -8.182 -5.904 1.00 0.00 H ATOM 1173 H ASN A 123 -21.778 -5.041 -2.119 1.00 0.00 H ATOM 1174 N ASN A 124 -19.548 -6.143 0.268 1.00 10.35 N ATOM 1175 CA ASN A 124 -18.590 -6.140 1.371 1.00 10.20 C ATOM 1176 C ASN A 124 -17.168 -5.786 0.955 1.00 10.70 C ATOM 1177 O ASN A 124 -16.277 -5.785 1.815 1.00 11.41 O ATOM 1178 CB ASN A 124 -18.576 -7.450 2.171 1.00 11.08 C ATOM 1179 CG ASN A 124 -19.874 -7.700 2.879 1.00 11.89 C ATOM 1180 OD1 ASN A 124 -20.625 -6.777 3.158 1.00 12.11 O ATOM 1181 ND2 ASN A 124 -20.166 -8.965 3.140 1.00 19.06 N ATOM 1182 HD22 ASN A 124 -19.495 -9.717 2.884 1.00 0.00 H ATOM 1183 HD21 ASN A 124 -21.066 -9.206 3.601 1.00 0.00 H ATOM 1184 H ASN A 124 -20.275 -5.400 0.257 1.00 0.00 H ATOM 1185 N VAL A 125 -16.921 -5.456 -0.309 1.00 8.83 N ATOM 1186 CA VAL A 125 -15.614 -4.964 -0.737 1.00 9.81 C ATOM 1187 C VAL A 125 -15.625 -3.452 -0.582 1.00 10.41 C ATOM 1188 O VAL A 125 -16.453 -2.767 -1.189 1.00 11.11 O ATOM 1189 CB VAL A 125 -15.315 -5.370 -2.185 1.00 10.27 C ATOM 1190 CG1 VAL A 125 -13.951 -4.857 -2.619 1.00 11.66 C ATOM 1191 CG2 VAL A 125 -15.410 -6.885 -2.320 1.00 11.78 C ATOM 1192 H VAL A 125 -17.680 -5.551 -1.013 1.00 0.00 H ATOM 1193 N THR A 126 -14.708 -2.921 0.223 1.00 11.86 N ATOM 1194 CA THR A 126 -14.816 -1.537 0.665 1.00 13.10 C ATOM 1195 C THR A 126 -13.637 -0.694 0.216 1.00 12.59 C ATOM 1196 O THR A 126 -12.539 -1.197 -0.023 1.00 14.91 O ATOM 1197 CB THR A 126 -14.863 -1.424 2.198 1.00 17.05 C ATOM 1198 OG1 THR A 126 -13.614 -1.894 2.744 1.00 18.08 O ATOM 1199 CG2 THR A 126 -16.008 -2.225 2.776 1.00 15.65 C ATOM 1200 HG1 THR A 126 -13.639 -1.823 3.731 1.00 0.00 H ATOM 1201 H THR A 126 -13.905 -3.501 0.540 1.00 0.00 H ATOM 1202 N CYS A 127 -13.875 0.616 0.165 1.00 13.09 N ATOM 1203 CA CYS A 127 -12.838 1.595 -0.098 1.00 14.72 C ATOM 1204 C CYS A 127 -13.041 2.783 0.838 1.00 13.94 C ATOM 1205 O CYS A 127 -14.174 3.090 1.234 1.00 14.49 O ATOM 1206 CB CYS A 127 -12.957 2.011 -1.569 1.00 16.63 C ATOM 1207 SG CYS A 127 -11.878 3.291 -2.116 1.00 17.72 S ATOM 1208 H CYS A 127 -14.847 0.951 0.321 1.00 0.00 H ATOM 1209 N THR A 128 -11.939 3.446 1.190 1.00 12.40 N ATOM 1210 CA THR A 128 -11.982 4.702 1.924 1.00 11.78 C ATOM 1211 C THR A 128 -11.026 5.671 1.246 1.00 11.47 C ATOM 1212 O THR A 128 -9.853 5.342 1.037 1.00 13.76 O ATOM 1213 CB THR A 128 -11.582 4.524 3.400 1.00 14.31 C ATOM 1214 OG1 THR A 128 -12.455 3.579 4.026 1.00 19.26 O ATOM 1215 CG2 THR A 128 -11.680 5.853 4.138 1.00 14.67 C ATOM 1216 HG1 THR A 128 -12.194 3.468 4.974 1.00 0.00 H ATOM 1217 H THR A 128 -11.013 3.050 0.930 1.00 0.00 H ATOM 1218 N ARG A 129 -11.523 6.854 0.902 1.00 11.71 N ATOM 1219 CA ARG A 129 -10.721 7.878 0.239 1.00 11.79 C ATOM 1220 C ARG A 129 -10.888 9.179 0.991 1.00 14.86 C ATOM 1221 O ARG A 129 -12.009 9.577 1.306 1.00 14.03 O ATOM 1222 CB ARG A 129 -11.114 8.020 -1.229 1.00 13.20 C ATOM 1223 CG ARG A 129 -10.642 6.818 -2.020 1.00 13.57 C ATOM 1224 CD ARG A 129 -11.369 6.641 -3.313 1.00 14.84 C ATOM 1225 NE ARG A 129 -11.062 7.614 -4.366 1.00 14.61 N ATOM 1226 CZ ARG A 129 -10.008 7.538 -5.180 1.00 15.22 C ATOM 1227 NH1 ARG A 129 -9.077 6.609 -5.000 1.00 14.03 N ATOM 1228 NH2 ARG A 129 -9.869 8.414 -6.165 1.00 17.25 N ATOM 1229 HE ARG A 129 -11.710 8.418 -4.486 1.00 0.00 H ATOM 1230 HH12 ARG A 129 -8.260 6.560 -5.642 1.00 0.00 H ATOM 1231 HH11 ARG A 129 -9.165 5.930 -4.217 1.00 0.00 H ATOM 1232 HH22 ARG A 129 -9.048 8.356 -6.800 1.00 0.00 H ATOM 1233 HH21 ARG A 129 -10.581 9.159 -6.302 1.00 0.00 H ATOM 1234 H ARG A 129 -12.521 7.058 1.113 1.00 0.00 H ATOM 1235 N ILE A 130 -9.774 9.832 1.293 1.00 12.08 N ATOM 1236 CA ILE A 130 -9.768 11.047 2.093 1.00 12.84 C ATOM 1237 C ILE A 130 -9.354 12.206 1.201 1.00 14.40 C ATOM 1238 O ILE A 130 -8.375 12.098 0.450 1.00 15.13 O ATOM 1239 CB ILE A 130 -8.834 10.898 3.303 1.00 15.88 C ATOM 1240 CG1 ILE A 130 -9.457 9.931 4.310 1.00 18.37 C ATOM 1241 CG2 ILE A 130 -8.542 12.260 3.934 1.00 15.62 C ATOM 1242 CD1 ILE A 130 -8.498 9.452 5.369 1.00 17.49 C ATOM 1243 H ILE A 130 -8.868 9.460 0.944 1.00 0.00 H ATOM 1244 N TYR A 131 -10.109 13.305 1.274 1.00 16.28 N ATOM 1245 CA TYR A 131 -9.869 14.504 0.484 1.00 14.67 C ATOM 1246 C TYR A 131 -9.733 15.713 1.405 1.00 14.18 C ATOM 1247 O TYR A 131 -10.461 15.837 2.392 1.00 20.46 O ATOM 1248 CB TYR A 131 -11.032 14.760 -0.518 1.00 15.54 C ATOM 1249 CG TYR A 131 -11.330 13.637 -1.508 1.00 14.57 C ATOM 1250 CD1 TYR A 131 -11.883 12.432 -1.080 1.00 12.35 C ATOM 1251 CD2 TYR A 131 -11.109 13.798 -2.878 1.00 15.34 C ATOM 1252 CE1 TYR A 131 -12.168 11.403 -1.967 1.00 15.16 C ATOM 1253 CE2 TYR A 131 -11.410 12.762 -3.783 1.00 14.59 C ATOM 1254 CZ TYR A 131 -11.932 11.578 -3.308 1.00 12.79 C ATOM 1255 OH TYR A 131 -12.222 10.533 -4.162 1.00 15.73 O ATOM 1256 HH TYR A 131 -12.892 10.829 -4.828 1.00 0.00 H ATOM 1257 H TYR A 131 -10.914 13.304 1.932 1.00 0.00 H ATOM 1258 N GLU A 132 -8.794 16.598 1.088 1.00 17.11 N ATOM 1259 CA GLU A 132 -8.588 17.810 1.865 1.00 17.66 C ATOM 1260 C GLU A 132 -9.108 19.011 1.088 1.00 18.49 C ATOM 1261 O GLU A 132 -8.995 19.066 -0.142 1.00 18.48 O ATOM 1262 CB GLU A 132 -7.108 18.001 2.224 1.00 19.79 C ATOM 1263 CG GLU A 132 -6.594 17.002 3.252 1.00 22.40 C ATOM 1264 CD GLU A 132 -5.094 17.112 3.496 1.00 25.79 C ATOM 1265 OE1 GLU A 132 -4.467 18.056 2.970 1.00 26.35 O ATOM 1266 OE2 GLU A 132 -4.544 16.251 4.214 1.00 29.21 O ATOM 1267 H GLU A 132 -8.189 16.419 0.261 1.00 0.00 H ATOM 1268 N LYS A 133 -9.663 19.976 1.820 1.00 19.33 N ATOM 1269 CA LYS A 133 -10.297 21.136 1.212 1.00 23.39 C ATOM 1270 C LYS A 133 -9.252 22.000 0.523 1.00 23.39 C ATOM 1271 O LYS A 133 -8.191 22.289 1.088 1.00 27.91 O ATOM 1272 CB LYS A 133 -11.028 21.940 2.284 1.00 27.00 C ATOM 1273 CG LYS A 133 -11.706 23.206 1.781 1.00 31.22 C ATOM 1274 CD LYS A 133 -12.651 22.916 0.629 1.00 28.88 C ATOM 1275 CE LYS A 133 -13.816 23.892 0.619 1.00 29.10 C ATOM 1276 NZ LYS A 133 -14.683 23.716 1.821 1.00 28.58 N ATOM 1277 HZ1 LYS A 133 -15.062 22.748 1.834 1.00 0.00 H ATOM 1278 HZ2 LYS A 133 -14.120 23.881 2.680 1.00 0.00 H ATOM 1279 HZ3 LYS A 133 -15.468 24.397 1.783 1.00 0.00 H ATOM 1280 H LYS A 133 -9.642 19.898 2.857 1.00 0.00 H ATOM 1281 N VAL A 134 -9.552 22.401 -0.698 1.00 21.97 N ATOM 1282 CA VAL A 134 -8.641 23.123 -1.568 1.00 27.18 C ATOM 1283 C VAL A 134 -9.225 24.494 -1.850 1.00 23.63 C ATOM 1284 O VAL A 134 -10.443 24.660 -1.943 1.00 25.07 O ATOM 1285 CB VAL A 134 -8.496 22.318 -2.880 1.00 38.21 C ATOM 1286 CG1 VAL A 134 -8.048 23.191 -4.030 1.00 34.51 C ATOM 1287 CG2 VAL A 134 -7.535 21.194 -2.678 1.00 47.65 C ATOM 1288 H VAL A 134 -10.503 22.186 -1.061 1.00 0.00 H ATOM 1289 N GLU A 135 -8.359 25.489 -1.972 1.00 25.07 N ATOM 1290 CA GLU A 135 -8.908 26.747 -2.456 1.00 37.06 C ATOM 1291 C GLU A 135 -9.038 26.710 -3.986 1.00 44.90 C ATOM 1292 O GLU A 135 -10.083 27.119 -4.507 1.00 36.11 O ATOM 1293 CB GLU A 135 -8.145 27.972 -1.945 1.00 38.76 C ATOM 1294 CG GLU A 135 -6.654 27.952 -2.158 1.00 39.96 C ATOM 1295 CD GLU A 135 -6.057 29.344 -2.058 1.00 42.48 C ATOM 1296 OE1 GLU A 135 -6.826 30.311 -1.843 1.00 40.18 O ATOM 1297 OE2 GLU A 135 -4.823 29.474 -2.201 1.00 41.75 O ATOM 1298 OXT GLU A 135 -8.150 26.256 -4.706 1.00 52.97 O ATOM 1299 H GLU A 135 -7.352 25.378 -1.737 1.00 0.00 H TER 1300 GLU A 135 HETATM 1301 O HOH 1 -35.228 13.832 -10.487 1.00 30.81 O HETATM 1302 O HOH 2 -2.691 10.073 -1.922 1.00 61.09 O HETATM 1303 O HOH 3 -33.743 16.920 -10.725 1.00 33.60 O HETATM 1304 O HOH 4 -21.164 26.350 1.198 1.00 26.75 O HETATM 1305 O HOH 5 -6.906 -9.370 -7.023 1.00 36.74 O HETATM 1306 O HOH 6 -18.405 -3.950 -14.787 1.00 23.09 O HETATM 1307 O HOH 7 -28.655 19.302 5.004 1.00 30.35 O HETATM 1308 O HOH 8 -26.774 21.077 -8.743 1.00 31.31 O HETATM 1309 O HOH 9 -17.722 -1.500 -14.756 1.00 28.64 O HETATM 1310 O HOH 10 -20.530 8.386 -8.537 1.00 16.06 O HETATM 1311 O HOH 11 -13.629 -5.533 -17.074 1.00 36.06 O HETATM 1312 O HOH 12 -36.955 9.692 -11.308 1.00 30.58 O HETATM 1313 O HOH 13 -9.448 19.647 4.552 1.00 29.00 O HETATM 1314 O HOH 14 -13.002 24.881 -2.342 1.00 16.10 O HETATM 1315 O HOH 15 -8.056 6.334 3.065 1.00 21.28 O HETATM 1316 O HOH 16 -20.730 9.534 -11.972 1.00 23.66 O HETATM 1317 O HOH 17 -18.089 8.400 4.290 1.00 15.95 O HETATM 1318 O HOH 18 -18.409 21.672 -15.786 1.00 30.01 O HETATM 1319 O HOH 19 -12.634 21.730 6.094 1.00 45.70 O HETATM 1320 O HOH 20 -22.251 10.034 -1.279 1.00 16.89 O HETATM 1321 O HOH 21 -28.192 24.726 -0.036 1.00 33.51 O HETATM 1322 O HOH 22 -11.057 -3.434 -0.116 1.00 22.69 O HETATM 1323 O HOH 23 -7.648 7.935 -7.927 1.00 20.06 O HETATM 1324 O HOH 24 -27.224 7.954 -21.218 1.00 11.91 O HETATM 1325 O HOH 25 -19.538 3.320 -8.001 1.00 19.37 O HETATM 1326 O HOH 26 -23.483 -9.607 -6.789 1.00 33.15 O HETATM 1327 O HOH 27 -26.554 9.349 -17.609 1.00 10.94 O HETATM 1328 O HOH 28 -30.932 3.541 -6.531 1.00 26.14 O HETATM 1329 O HOH 29 -12.027 -7.189 -5.153 1.00 24.46 O HETATM 1330 O HOH 30 -20.887 15.158 6.921 1.00 24.26 O HETATM 1331 O HOH 31 -11.959 13.027 -18.817 1.00 24.77 O HETATM 1332 O HOH 32 -5.274 -0.116 -0.897 1.00 28.47 O HETATM 1333 O HOH 33 -30.946 11.720 -6.055 1.00 13.07 O HETATM 1334 O HOH 34 -13.583 -1.432 -18.146 1.00 26.35 O HETATM 1335 O HOH 35 -18.655 -0.337 4.169 1.00 15.67 O HETATM 1336 O HOH 36 -21.181 3.912 -20.945 1.00 29.15 O HETATM 1337 O HOH 37 -31.735 14.114 1.489 1.00 29.44 O HETATM 1338 O HOH 38 -20.173 -5.360 -11.601 1.00 19.43 O HETATM 1339 O HOH 39 -30.026 -3.789 -8.201 1.00 21.91 O HETATM 1340 O HOH 40 -16.273 12.498 -6.632 1.00 33.02 O HETATM 1341 O HOH 41 -16.332 12.389 -4.013 1.00 33.95 O HETATM 1342 O HOH 42 -30.642 13.956 -12.218 1.00 16.12 O HETATM 1343 O HOH 43 -24.545 -6.180 -5.453 1.00 14.77 O HETATM 1344 O HOH 44 -12.456 3.603 6.833 1.00 41.52 O HETATM 1345 O HOH 45 -37.482 8.913 -7.564 1.00 25.42 O HETATM 1346 O HOH 46 -17.499 -10.236 -1.923 1.00 19.70 O HETATM 1347 O HOH 47 -28.283 12.227 -14.667 1.00 16.21 O HETATM 1348 O HOH 48 -18.612 13.042 -10.279 1.00 20.39 O HETATM 1349 O HOH 49 -17.860 4.511 -9.163 1.00 44.09 O HETATM 1350 O HOH 50 -30.719 3.728 -17.813 1.00 29.33 O HETATM 1351 O HOH 51 -13.404 -1.560 5.569 1.00 34.48 O HETATM 1352 O HOH 52 -21.955 17.758 6.755 1.00 27.89 O HETATM 1353 O HOH 53 -26.255 14.255 -14.270 1.00 17.26 O HETATM 1354 O HOH 54 -13.473 -8.418 -6.455 1.00 31.86 O HETATM 1355 O HOH 55 -15.100 2.415 4.400 1.00 23.26 O HETATM 1356 O HOH 56 -12.997 -5.999 -12.852 1.00 36.83 O HETATM 1357 O HOH 57 -18.281 7.483 -11.023 1.00 21.83 O HETATM 1358 O HOH 58 -29.572 -2.082 -15.086 1.00 24.94 O HETATM 1359 O HOH 59 -3.141 6.824 -0.927 1.00 24.45 O HETATM 1360 O HOH 60 -5.161 -4.905 -10.798 1.00 44.80 O HETATM 1361 O HOH 61 -16.969 1.378 2.893 1.00 14.38 O HETATM 1362 O HOH 62 -25.340 22.406 -7.547 1.00 35.00 O HETATM 1363 O HOH 63 -15.613 -0.470 -17.000 1.00 32.12 O HETATM 1364 O HOH 64 -37.073 14.134 -3.851 1.00 46.15 O HETATM 1365 O HOH 65 -30.847 -3.528 -10.989 1.00 24.54 O HETATM 1366 O HOH 66 -34.526 7.899 -1.513 1.00 31.86 O HETATM 1367 O HOH 67 -22.172 6.330 -21.908 1.00 19.64 O HETATM 1368 O HOH 68 -4.955 15.259 -11.224 1.00 36.79 O HETATM 1369 O HOH 69 -11.372 -7.987 -2.526 1.00 30.20 O HETATM 1370 O HOH 70 -20.123 20.756 -8.503 1.00 16.05 O HETATM 1371 O HOH 71 -11.531 0.799 3.667 1.00 25.28 O HETATM 1372 O HOH 72 -19.611 24.631 -3.704 1.00 46.63 O HETATM 1373 O HOH 73 -32.374 13.548 -9.747 1.00 18.28 O HETATM 1374 O HOH 74 -29.573 7.417 -0.397 1.00 26.43 O HETATM 1375 O HOH 75 -19.706 6.381 -9.222 1.00 33.76 O HETATM 1376 O HOH 76 -7.255 -1.936 -3.232 1.00 26.19 O HETATM 1377 O HOH 77 -16.563 9.776 -10.207 1.00 25.84 O HETATM 1378 O HOH 78 -12.711 -4.865 1.335 1.00 13.91 O HETATM 1379 O HOH 79 -10.216 12.959 8.722 1.00 47.60 O HETATM 1380 O HOH 80 -29.001 19.491 -9.519 1.00 29.52 O HETATM 1381 O HOH 81 -6.400 5.511 -6.041 1.00 24.28 O HETATM 1382 O HOH 82 -4.434 13.032 -12.055 1.00 32.32 O HETATM 1383 O HOH 83 -9.200 -2.484 -20.263 1.00 21.97 O HETATM 1384 O HOH 84 -10.915 -0.545 -19.162 1.00 22.96 O HETATM 1385 O HOH 85 -4.225 8.574 -2.944 1.00 35.64 O HETATM 1386 O HOH 86 -29.920 7.400 2.575 1.00 31.99 O HETATM 1387 O HOH 87 -26.359 -8.430 -5.737 1.00 38.82 O HETATM 1388 O HOH 88 -18.659 -11.535 1.663 1.00 23.07 O HETATM 1389 O HOH 89 -31.480 -1.054 -11.567 1.00 34.08 O HETATM 1390 O HOH 90 -11.408 19.568 -16.018 1.00 41.87 O HETATM 1391 O HOH 91 -4.520 7.278 -5.281 1.00 34.94 O HETATM 1392 O HOH 92 -19.957 21.690 -11.775 1.00 31.74 O HETATM 1393 O HOH 93 -8.286 5.462 5.321 1.00 39.29 O HETATM 1394 O HOH 94 -19.069 10.809 -9.061 1.00 30.56 O HETATM 1395 O HOH 95 -31.602 16.435 -12.687 1.00 22.23 O HETATM 1396 O HOH 96 -8.369 -3.694 0.063 1.00 42.04 O HETATM 1397 O HOH 97 -11.867 -7.398 -0.021 1.00 42.58 O HETATM 1398 C10 UNN A 98 -13.328 7.303 -9.834 1.00 0.02 C HETATM 1399 C11 UNN A 98 -12.329 8.241 -10.429 1.00 -0.00 C HETATM 1400 C16 UNN A 98 -12.712 9.199 -11.365 1.00 -0.05 C HETATM 1401 C15 UNN A 98 -11.782 10.070 -11.907 1.00 -0.06 C HETATM 1402 C14 UNN A 98 -10.461 10.002 -11.522 1.00 -0.06 C HETATM 1403 C13 UNN A 98 -10.065 9.063 -10.594 1.00 -0.06 C HETATM 1404 C12 UNN A 98 -10.990 8.191 -10.046 1.00 -0.05 C HETATM 1405 H17 UNN A 98 -10.669 7.462 -9.311 1.00 0.07 H HETATM 1406 H1 UNN A 98 -9.025 9.007 -10.292 1.00 0.06 H HETATM 1407 H18 UNN A 98 -9.735 10.685 -11.948 1.00 0.06 H HETATM 1408 H2 UNN A 98 -12.095 10.808 -12.637 1.00 0.06 H HETATM 1409 H3 UNN A 98 -13.749 9.263 -11.672 1.00 0.07 H HETATM 1410 C5 UNN A 98 -13.617 6.056 -10.473 1.00 0.01 C HETATM 1411 C4 UNN A 98 -14.570 5.199 -9.863 1.00 0.03 C HETATM 1412 C3 UNN A 98 -14.872 3.966 -10.483 1.00 -0.05 C HETATM 1413 C2 UNN A 98 -14.257 3.598 -11.640 1.00 -0.05 C HETATM 1414 C1 UNN A 98 -13.330 4.441 -12.220 1.00 0.04 C HETATM 1415 C6 UNN A 98 -12.999 5.643 -11.671 1.00 -0.04 C HETATM 1416 H16 UNN A 98 -12.264 6.278 -12.153 1.00 0.07 H HETATM 1417 CL UNN A 98 -12.563 3.952 -13.702 1.00 -0.07 CL HETATM 1418 H14 UNN A 98 -14.494 2.647 -12.104 1.00 0.07 H HETATM 1419 H15 UNN A 98 -15.603 3.305 -10.031 1.00 0.06 H HETATM 1420 N7 UNN A 98 -15.219 5.516 -8.701 1.00 -0.29 N HETATM 1421 C8 UNN A 98 -14.920 6.665 -8.149 1.00 0.13 C HETATM 1422 C9 UNN A 98 -13.986 7.596 -8.661 1.00 0.10 C HETATM 1423 C17 UNN A 98 -13.752 8.837 -7.971 1.00 0.19 C HETATM 1424 N25 UNN A 98 -14.618 9.854 -7.925 1.00 -0.21 N HETATM 1425 N26 UNN A 98 -14.087 10.847 -7.184 1.00 -0.14 N HETATM 1426 N27 UNN A 98 -12.926 10.428 -6.795 1.00 -0.07 N HETATM 1427 N28 UNN A 98 -12.686 9.174 -7.262 1.00 -0.15 N HETATM 1428 H19 UNN A 98 -11.845 8.602 -7.098 1.00 0.27 H HETATM 1429 N18 UNN A 98 -15.552 6.974 -6.997 1.00 -0.29 N HETATM 1430 C20 UNN A 98 -14.923 6.682 -5.708 1.00 0.03 C HETATM 1431 C21 UNN A 98 -15.294 7.731 -4.692 1.00 -0.03 C HETATM 1432 C22 UNN A 98 -16.800 7.857 -4.572 1.00 -0.05 C HETATM 1433 C23 UNN A 98 -17.437 8.085 -5.924 1.00 -0.03 C HETATM 1434 C24 UNN A 98 -17.011 7.023 -6.901 1.00 0.03 C HETATM 1435 H12 UNN A 98 -17.432 7.252 -7.891 1.00 0.05 H HETATM 1436 H13 UNN A 98 -17.385 6.046 -6.560 1.00 0.05 H HETATM 1437 H10 UNN A 98 -17.130 9.070 -6.306 1.00 0.03 H HETATM 1438 H11 UNN A 98 -18.531 8.058 -5.816 1.00 0.03 H HETATM 1439 H8 UNN A 98 -17.038 8.706 -3.915 1.00 0.03 H HETATM 1440 H9 UNN A 98 -17.204 6.932 -4.136 1.00 0.03 H HETATM 1441 H6 UNN A 98 -14.875 8.699 -5.004 1.00 0.03 H HETATM 1442 H7 UNN A 98 -14.877 7.449 -3.714 1.00 0.03 H HETATM 1443 H4 UNN A 98 -15.263 5.698 -5.354 1.00 0.05 H HETATM 1444 H5 UNN A 98 -13.830 6.669 -5.833 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1398 1399 1410 1422 CONECT 1399 1398 1400 1404 CONECT 1400 1399 1401 1409 CONECT 1401 1400 1402 1408 CONECT 1402 1401 1403 1407 CONECT 1403 1402 1404 1406 CONECT 1404 1399 1403 1405 CONECT 1405 1404 CONECT 1406 1403 CONECT 1407 1402 CONECT 1408 1401 CONECT 1409 1400 CONECT 1410 1398 1411 1415 CONECT 1411 1410 1412 1420 CONECT 1412 1411 1413 1419 CONECT 1413 1412 1414 1418 CONECT 1414 1413 1415 1417 CONECT 1415 1410 1414 1416 CONECT 1416 1415 CONECT 1417 1414 CONECT 1418 1413 CONECT 1419 1412 CONECT 1420 1411 1421 CONECT 1421 1420 1422 1429 CONECT 1422 1398 1421 1423 CONECT 1423 1422 1424 1427 CONECT 1424 1423 1425 CONECT 1425 1424 1426 CONECT 1426 1425 1427 CONECT 1427 1423 1426 1428 CONECT 1428 1427 CONECT 1429 1421 1430 1434 CONECT 1430 1429 1431 1443 1444 CONECT 1431 1430 1432 1441 1442 CONECT 1432 1431 1433 1439 1440 CONECT 1433 1432 1434 1437 1438 CONECT 1434 1429 1433 1435 1436 CONECT 1435 1434 CONECT 1436 1434 CONECT 1437 1433 CONECT 1438 1433 CONECT 1439 1432 CONECT 1440 1432 CONECT 1441 1431 CONECT 1442 1431 CONECT 1443 1430 CONECT 1444 1430 MASTER 0 0 0 0 0 0 0 0 1443 1 51 11 END
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Structure:
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Related entries of code: 5hz5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1b56
RCSB PDB
PDBbind
135aa, >1B56_1|Chain... at 100%
4lkt
RCSB PDB
PDBbind
138aa, >4LKT_1|Chains... *
5ur9
RCSB PDB
PDBbind
138aa, >5UR9_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5hz5
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
fatty acid binding proteins 5
Ligand Name
65X
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Ki=0.086uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Bioorg. Med. Chem. Lett. Vol. 26: pp. 5092-5097
Ligand Properties
Formula
C
2
1
H
1
9
ClN
6
Molecular Weight
390.869
Exact Mass
390.136
No. of atoms
47
No. of bonds
51
Polar Surface Area
70.59
LOGP Value
5.03 (
Computed with XLOGP3
)
4.79 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
Clc1ccc2c(c1)c(c1ccccc1)c(c(n2)N1CCCCC1)c1nnn[nH]1
InChI String
InChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27)
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):
Q01469
Entrez Gene ID
NCBI Entrez Gene ID:
2171
ASD
Information of known allosteric effects of PDB entries
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