Browse entries in the PDBbind-CN Database
HEADER 5OW8_COMPLEX COMPND 5OW8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 GLY ILE LEU GLU LEU ALA GLY THR VAL GLY CYS VAL GLY SEQRES 2 A 123 PRO ARG THR PRO ILE ALA TYR MET LYS TYR GLY CYS PHE SEQRES 3 A 123 CYS GLY LEU GLY GLY HIS GLY GLN PRO ARG ASP ALA ILE SEQRES 4 A 123 ASP TRP CYS CYS HIS GLY HIS ASP CYS CYS TYR THR ARG SEQRES 5 A 123 ALA GLU GLU ALA GLY CYS SER PRO LYS THR GLU ARG TYR SEQRES 6 A 123 SER TRP GLN CYS VAL ASN GLN SER VAL LEU CYS GLY PRO SEQRES 7 A 123 ALA GLU ASN LYS CYS GLN GLU LEU LEU CYS LYS CYS ASP SEQRES 8 A 123 GLN GLU ILE ALA ASN CYS LEU ALA GLN THR GLU TYR ASN SEQRES 9 A 123 LEU LYS TYR LEU PHE TYR PRO GLN PHE LEU CYS GLU PRO SEQRES 10 A 123 ASP SER PRO LYS CYS ASP HET CA A 1 1 HET AYN A 198 33 SSBOND 1 CYS A 27 CYS A 43 SSBOND 2 CYS A 11 CYS A 69 SSBOND 3 CYS A 58 CYS A 83 SSBOND 4 CYS A 76 CYS A 88 SSBOND 5 CYS A 49 CYS A 90 SSBOND 6 CYS A 42 CYS A 97 SSBOND 7 CYS A 25 CYS A 115 SSBOND 8 CYS A 48 CYS A 122 ATOM 1 N GLY A 1 -0.986 4.622 -7.986 1.00 18.09 N ATOM 2 CA GLY A 1 -2.099 3.737 -7.526 1.00 18.13 C ATOM 3 C GLY A 1 -1.599 2.432 -6.944 1.00 18.17 C ATOM 4 O GLY A 1 -0.398 2.273 -6.721 1.00 17.82 O ATOM 5 HN3 GLY A 1 -0.437 4.132 -8.721 1.00 0.00 H ATOM 6 HN2 GLY A 1 -0.367 4.846 -7.181 1.00 0.00 H ATOM 7 HN1 GLY A 1 -1.382 5.501 -8.375 1.00 0.00 H ATOM 8 N ILE A 2 -2.517 1.487 -6.729 1.00 18.56 N ATOM 9 CA ILE A 2 -2.197 0.173 -6.142 1.00 18.70 C ATOM 10 C ILE A 2 -1.204 -0.600 -7.021 1.00 18.69 C ATOM 11 O ILE A 2 -0.401 -1.387 -6.520 1.00 19.13 O ATOM 12 CB ILE A 2 -3.471 -0.696 -5.919 1.00 18.84 C ATOM 13 CG1 ILE A 2 -4.480 0.006 -5.004 1.00 19.04 C ATOM 14 CG2 ILE A 2 -3.144 -2.034 -5.264 1.00 18.87 C ATOM 15 CD1 ILE A 2 -3.862 0.635 -3.775 1.00 19.10 C ATOM 16 H ILE A 2 -3.504 1.687 -6.988 1.00 0.00 H ATOM 17 N LEU A 3 -1.295 -0.397 -8.337 1.00 18.59 N ATOM 18 CA LEU A 3 -0.394 -1.068 -9.283 1.00 18.49 C ATOM 19 C LEU A 3 1.050 -0.664 -9.022 1.00 18.09 C ATOM 20 O LEU A 3 1.934 -1.517 -8.954 1.00 18.00 O ATOM 21 CB LEU A 3 -0.769 -0.762 -10.739 1.00 18.63 C ATOM 22 CG LEU A 3 -2.169 -1.187 -11.195 1.00 18.75 C ATOM 23 CD1 LEU A 3 -2.431 -0.718 -12.617 1.00 18.71 C ATOM 24 CD2 LEU A 3 -2.363 -2.692 -11.100 1.00 19.04 C ATOM 25 H LEU A 3 -2.021 0.252 -8.701 1.00 0.00 H ATOM 26 N GLU A 4 1.271 0.633 -8.837 1.00 17.50 N ATOM 27 CA GLU A 4 2.607 1.152 -8.547 1.00 17.27 C ATOM 28 C GLU A 4 3.044 0.850 -7.110 1.00 16.99 C ATOM 29 O GLU A 4 4.233 0.661 -6.861 1.00 16.95 O ATOM 30 CB GLU A 4 2.694 2.652 -8.810 1.00 17.12 C ATOM 31 CG GLU A 4 2.531 3.056 -10.269 1.00 17.21 C ATOM 32 CD GLU A 4 1.088 3.209 -10.727 1.00 17.20 C ATOM 33 OE1 GLU A 4 0.899 3.486 -11.927 1.00 17.25 O ATOM 34 OE2 GLU A 4 0.145 3.064 -9.918 1.00 17.08 O ATOM 35 H GLU A 4 0.473 1.297 -8.900 1.00 0.00 H ATOM 36 N LEU A 5 2.094 0.817 -6.174 1.00 16.83 N ATOM 37 CA LEU A 5 2.382 0.435 -4.785 1.00 16.70 C ATOM 38 C LEU A 5 3.024 -0.948 -4.738 1.00 16.67 C ATOM 39 O LEU A 5 4.099 -1.122 -4.166 1.00 16.46 O ATOM 40 CB LEU A 5 1.111 0.454 -3.926 1.00 16.65 C ATOM 41 CG LEU A 5 1.216 -0.062 -2.483 1.00 16.54 C ATOM 42 CD1 LEU A 5 2.350 0.616 -1.725 1.00 16.44 C ATOM 43 CD2 LEU A 5 -0.107 0.130 -1.758 1.00 16.58 C ATOM 44 H LEU A 5 1.120 1.069 -6.436 1.00 0.00 H ATOM 45 N ALA A 6 2.353 -1.915 -5.356 1.00 16.67 N ATOM 46 CA ALA A 6 2.859 -3.285 -5.479 1.00 16.73 C ATOM 47 C ALA A 6 4.215 -3.334 -6.187 1.00 16.68 C ATOM 48 O ALA A 6 5.152 -3.982 -5.712 1.00 16.64 O ATOM 49 CB ALA A 6 1.855 -4.139 -6.233 1.00 16.78 C ATOM 50 H ALA A 6 1.427 -1.689 -5.771 1.00 0.00 H ATOM 51 N GLY A 7 4.289 -2.647 -7.326 1.00 16.50 N ATOM 52 CA GLY A 7 5.501 -2.574 -8.141 1.00 16.32 C ATOM 53 C GLY A 7 6.710 -2.010 -7.421 1.00 16.14 C ATOM 54 O GLY A 7 7.789 -2.609 -7.454 1.00 15.96 O ATOM 55 H GLY A 7 3.443 -2.137 -7.652 1.00 0.00 H ATOM 56 N THR A 8 6.526 -0.866 -6.765 1.00 15.62 N ATOM 57 CA THR A 8 7.608 -0.207 -6.021 1.00 15.51 C ATOM 58 C THR A 8 8.097 -1.071 -4.853 1.00 15.69 C ATOM 59 O THR A 8 9.301 -1.213 -4.643 1.00 15.43 O ATOM 60 CB THR A 8 7.181 1.173 -5.482 1.00 15.46 C ATOM 61 OG1 THR A 8 5.927 1.058 -4.800 1.00 15.47 O ATOM 62 CG2 THR A 8 7.060 2.194 -6.618 1.00 15.48 C ATOM 63 HG1 THR A 8 5.240 0.724 -5.429 1.00 0.00 H ATOM 64 H THR A 8 5.585 -0.424 -6.780 1.00 0.00 H ATOM 65 N VAL A 9 7.158 -1.650 -4.107 1.00 15.69 N ATOM 66 CA VAL A 9 7.486 -2.540 -2.987 1.00 15.90 C ATOM 67 C VAL A 9 8.256 -3.775 -3.471 1.00 16.14 C ATOM 68 O VAL A 9 9.231 -4.179 -2.845 1.00 16.14 O ATOM 69 CB VAL A 9 6.215 -2.920 -2.185 1.00 15.96 C ATOM 70 CG1 VAL A 9 6.467 -4.056 -1.197 1.00 15.98 C ATOM 71 CG2 VAL A 9 5.705 -1.703 -1.428 1.00 16.08 C ATOM 72 H VAL A 9 6.158 -1.465 -4.326 1.00 0.00 H ATOM 73 N GLY A 10 7.819 -4.358 -4.585 1.00 16.56 N ATOM 74 CA GLY A 10 8.524 -5.487 -5.200 1.00 17.06 C ATOM 75 C GLY A 10 9.931 -5.147 -5.672 1.00 17.63 C ATOM 76 O GLY A 10 10.858 -5.945 -5.501 1.00 17.32 O ATOM 77 H GLY A 10 6.951 -4.002 -5.033 1.00 0.00 H ATOM 78 N CYS A 11 10.077 -3.964 -6.270 1.00 18.15 N ATOM 79 CA CYS A 11 11.366 -3.465 -6.774 1.00 18.71 C ATOM 80 C CYS A 11 12.457 -3.405 -5.706 1.00 19.12 C ATOM 81 O CYS A 11 13.553 -3.940 -5.900 1.00 19.18 O ATOM 82 CB CYS A 11 11.182 -2.073 -7.395 1.00 18.85 C ATOM 83 SG CYS A 11 12.706 -1.138 -7.692 1.00 19.29 S ATOM 84 H CYS A 11 9.236 -3.363 -6.386 1.00 0.00 H ATOM 85 N VAL A 12 12.141 -2.766 -4.583 1.00 19.53 N ATOM 86 CA VAL A 12 13.135 -2.446 -3.551 1.00 20.25 C ATOM 87 C VAL A 12 13.380 -3.611 -2.590 1.00 20.70 C ATOM 88 O VAL A 12 14.526 -3.917 -2.265 1.00 20.96 O ATOM 89 CB VAL A 12 12.731 -1.198 -2.727 1.00 20.25 C ATOM 90 CG1 VAL A 12 13.873 -0.743 -1.828 1.00 20.42 C ATOM 91 CG2 VAL A 12 12.355 -0.042 -3.635 1.00 20.23 C ATOM 92 H VAL A 12 11.152 -2.482 -4.430 1.00 0.00 H ATOM 93 N GLY A 13 12.304 -4.248 -2.139 1.00 21.40 N ATOM 94 CA GLY A 13 12.373 -5.223 -1.047 1.00 21.78 C ATOM 95 C GLY A 13 12.630 -6.654 -1.488 1.00 22.44 C ATOM 96 O GLY A 13 12.711 -6.929 -2.689 1.00 22.62 O ATOM 97 H GLY A 13 11.382 -4.048 -2.576 1.00 0.00 H ATOM 98 N PRO A 14 12.752 -7.581 -0.514 1.00 23.03 N ATOM 99 CA PRO A 14 13.050 -8.988 -0.792 1.00 23.07 C ATOM 100 C PRO A 14 11.842 -9.902 -1.031 1.00 23.18 C ATOM 101 O PRO A 14 12.034 -11.029 -1.485 1.00 23.67 O ATOM 102 CB PRO A 14 13.771 -9.427 0.481 1.00 23.02 C ATOM 103 CG PRO A 14 13.095 -8.647 1.553 1.00 23.01 C ATOM 104 CD PRO A 14 12.711 -7.324 0.939 1.00 22.94 C ATOM 105 N ARG A 15 10.627 -9.429 -0.746 1.00 22.99 N ATOM 106 CA ARG A 15 9.445 -10.308 -0.679 1.00 22.92 C ATOM 107 C ARG A 15 8.258 -9.845 -1.523 1.00 22.10 C ATOM 108 O ARG A 15 8.135 -8.673 -1.867 1.00 22.03 O ATOM 109 CB ARG A 15 9.010 -10.508 0.780 1.00 23.74 C ATOM 110 CG ARG A 15 8.727 -9.241 1.575 1.00 24.46 C ATOM 111 CD ARG A 15 8.531 -9.562 3.053 1.00 25.03 C ATOM 112 NE ARG A 15 9.804 -9.735 3.762 1.00 25.39 N ATOM 113 CZ ARG A 15 10.483 -8.787 4.415 1.00 25.50 C ATOM 114 NH1 ARG A 15 11.629 -9.104 5.014 1.00 25.80 N ATOM 115 NH2 ARG A 15 10.045 -7.529 4.487 1.00 25.43 N ATOM 116 HE ARG A 15 10.218 -10.689 3.756 1.00 0.00 H ATOM 117 HH12 ARG A 15 12.167 -8.376 5.526 1.00 0.00 H ATOM 118 HH11 ARG A 15 11.986 -10.080 4.970 1.00 0.00 H ATOM 119 HH22 ARG A 15 10.597 -6.815 5.003 1.00 0.00 H ATOM 120 HH21 ARG A 15 9.151 -7.262 4.027 1.00 0.00 H ATOM 121 H ARG A 15 10.511 -8.411 -0.566 1.00 0.00 H ATOM 122 N THR A 16 7.397 -10.799 -1.870 1.00 21.18 N ATOM 123 CA THR A 16 6.165 -10.519 -2.615 1.00 20.82 C ATOM 124 C THR A 16 5.322 -9.437 -1.917 1.00 20.78 C ATOM 125 O THR A 16 5.242 -9.431 -0.689 1.00 20.78 O ATOM 126 CB THR A 16 5.303 -11.795 -2.826 1.00 20.70 C ATOM 127 OG1 THR A 16 4.085 -11.447 -3.494 1.00 20.60 O ATOM 128 CG2 THR A 16 4.963 -12.511 -1.502 1.00 20.49 C ATOM 129 HG1 THR A 16 4.296 -11.043 -4.373 1.00 0.00 H ATOM 130 H THR A 16 7.606 -11.782 -1.602 1.00 0.00 H ATOM 131 N PRO A 17 4.705 -8.515 -2.690 1.00 20.91 N ATOM 132 CA PRO A 17 3.776 -7.544 -2.077 1.00 20.98 C ATOM 133 C PRO A 17 2.508 -8.167 -1.454 1.00 21.16 C ATOM 134 O PRO A 17 1.855 -7.522 -0.627 1.00 21.08 O ATOM 135 CB PRO A 17 3.420 -6.600 -3.238 1.00 20.92 C ATOM 136 CG PRO A 17 3.765 -7.344 -4.475 1.00 20.99 C ATOM 137 CD PRO A 17 4.907 -8.244 -4.126 1.00 20.89 C ATOM 138 N ILE A 18 2.177 -9.401 -1.849 1.00 21.32 N ATOM 139 CA ILE A 18 1.169 -10.238 -1.160 1.00 21.87 C ATOM 140 C ILE A 18 1.433 -10.344 0.355 1.00 21.85 C ATOM 141 O ILE A 18 0.494 -10.456 1.146 1.00 21.59 O ATOM 142 CB ILE A 18 1.105 -11.671 -1.769 1.00 22.23 C ATOM 143 CG1 ILE A 18 0.557 -11.636 -3.197 1.00 22.68 C ATOM 144 CG2 ILE A 18 0.225 -12.612 -0.940 1.00 22.27 C ATOM 145 CD1 ILE A 18 0.910 -12.868 -4.010 1.00 22.99 C ATOM 146 H ILE A 18 2.654 -9.794 -2.686 1.00 0.00 H ATOM 147 N ALA A 19 2.709 -10.310 0.742 1.00 21.92 N ATOM 148 CA ALA A 19 3.130 -10.358 2.146 1.00 21.81 C ATOM 149 C ALA A 19 2.577 -9.228 3.026 1.00 21.94 C ATOM 150 O ALA A 19 2.543 -9.371 4.251 1.00 21.87 O ATOM 151 CB ALA A 19 4.647 -10.379 2.229 1.00 21.84 C ATOM 152 H ALA A 19 3.444 -10.246 0.009 1.00 0.00 H ATOM 153 N TYR A 20 2.152 -8.124 2.408 1.00 22.09 N ATOM 154 CA TYR A 20 1.612 -6.958 3.127 1.00 22.89 C ATOM 155 C TYR A 20 0.121 -6.675 2.883 1.00 23.92 C ATOM 156 O TYR A 20 -0.376 -5.619 3.272 1.00 23.69 O ATOM 157 CB TYR A 20 2.418 -5.710 2.747 1.00 22.50 C ATOM 158 CG TYR A 20 3.917 -5.904 2.787 1.00 22.20 C ATOM 159 CD1 TYR A 20 4.586 -6.050 4.002 1.00 22.35 C ATOM 160 CD2 TYR A 20 4.671 -5.934 1.611 1.00 22.19 C ATOM 161 CE1 TYR A 20 5.962 -6.229 4.047 1.00 22.14 C ATOM 162 CE2 TYR A 20 6.049 -6.108 1.647 1.00 22.13 C ATOM 163 CZ TYR A 20 6.689 -6.253 2.867 1.00 22.29 C ATOM 164 OH TYR A 20 8.053 -6.422 2.914 1.00 22.23 O ATOM 165 HH TYR A 20 8.496 -5.638 2.503 1.00 0.00 H ATOM 166 H TYR A 20 2.205 -8.085 1.370 1.00 0.00 H ATOM 167 N MET A 21 -0.597 -7.599 2.251 1.00 25.77 N ATOM 168 CA MET A 21 -2.016 -7.361 1.929 1.00 27.17 C ATOM 169 C MET A 21 -2.945 -7.454 3.150 1.00 26.91 C ATOM 170 O MET A 21 -3.961 -6.762 3.197 1.00 27.25 O ATOM 171 CB MET A 21 -2.482 -8.257 0.774 1.00 28.97 C ATOM 172 CG MET A 21 -2.131 -7.658 -0.585 1.00 30.64 C ATOM 173 SD MET A 21 -2.324 -8.774 -1.988 1.00 33.88 S ATOM 174 CE MET A 21 -4.084 -9.103 -1.920 1.00 33.41 C ATOM 175 H MET A 21 -0.153 -8.500 1.981 1.00 0.00 H ATOM 176 N LYS A 22 -2.590 -8.298 4.120 1.00 26.14 N ATOM 177 CA LYS A 22 -3.245 -8.345 5.438 1.00 25.60 C ATOM 178 C LYS A 22 -2.216 -8.760 6.484 1.00 23.72 C ATOM 179 O LYS A 22 -2.063 -9.944 6.776 1.00 24.12 O ATOM 180 CB LYS A 22 -4.426 -9.324 5.452 1.00 27.31 C ATOM 181 CG LYS A 22 -5.669 -8.821 4.740 1.00 29.25 C ATOM 182 CD LYS A 22 -6.850 -9.763 4.918 1.00 30.92 C ATOM 183 CE LYS A 22 -7.867 -9.580 3.801 1.00 32.11 C ATOM 184 NZ LYS A 22 -9.214 -10.090 4.177 1.00 33.23 N ATOM 185 HZ1 LYS A 22 -9.151 -11.105 4.394 1.00 0.00 H ATOM 186 HZ2 LYS A 22 -9.557 -9.576 5.014 1.00 0.00 H ATOM 187 HZ3 LYS A 22 -9.872 -9.944 3.385 1.00 0.00 H ATOM 188 H LYS A 22 -1.808 -8.959 3.935 1.00 0.00 H ATOM 189 N TYR A 23 -1.515 -7.774 7.039 1.00 21.45 N ATOM 190 CA TYR A 23 -0.422 -8.005 7.984 1.00 19.80 C ATOM 191 C TYR A 23 -0.511 -6.974 9.104 1.00 19.14 C ATOM 192 O TYR A 23 -0.677 -5.779 8.848 1.00 18.63 O ATOM 193 CB TYR A 23 0.923 -7.908 7.251 1.00 19.17 C ATOM 194 CG TYR A 23 2.178 -8.120 8.082 1.00 18.50 C ATOM 195 CD1 TYR A 23 2.679 -7.116 8.913 1.00 18.18 C ATOM 196 CD2 TYR A 23 2.903 -9.309 7.987 1.00 18.33 C ATOM 197 CE1 TYR A 23 3.839 -7.307 9.648 1.00 17.93 C ATOM 198 CE2 TYR A 23 4.066 -9.506 8.717 1.00 18.09 C ATOM 199 CZ TYR A 23 4.532 -8.500 9.543 1.00 17.90 C ATOM 200 OH TYR A 23 5.685 -8.694 10.263 1.00 17.54 O ATOM 201 HH TYR A 23 5.878 -7.884 10.799 1.00 0.00 H ATOM 202 H TYR A 23 -1.755 -6.793 6.789 1.00 0.00 H ATOM 203 N GLY A 24 -0.397 -7.449 10.342 1.00 18.78 N ATOM 204 CA GLY A 24 -0.437 -6.581 11.514 1.00 18.46 C ATOM 205 C GLY A 24 -1.775 -5.879 11.626 1.00 18.42 C ATOM 206 O GLY A 24 -2.808 -6.437 11.259 1.00 18.19 O ATOM 207 H GLY A 24 -0.275 -8.473 10.478 1.00 0.00 H ATOM 208 N CYS A 25 -1.750 -4.655 12.136 1.00 18.63 N ATOM 209 CA CYS A 25 -2.945 -3.818 12.231 1.00 19.05 C ATOM 210 C CYS A 25 -3.120 -2.792 11.093 1.00 18.70 C ATOM 211 O CYS A 25 -4.200 -2.213 10.963 1.00 18.35 O ATOM 212 CB CYS A 25 -2.957 -3.109 13.587 1.00 19.73 C ATOM 213 SG CYS A 25 -3.082 -4.219 15.017 1.00 20.91 S ATOM 214 H CYS A 25 -0.845 -4.276 12.482 1.00 0.00 H ATOM 215 N PHE A 26 -2.088 -2.585 10.270 1.00 18.48 N ATOM 216 CA PHE A 26 -2.101 -1.512 9.241 1.00 18.35 C ATOM 217 C PHE A 26 -1.830 -1.898 7.789 1.00 18.22 C ATOM 218 O PHE A 26 -2.288 -1.189 6.888 1.00 17.79 O ATOM 219 CB PHE A 26 -1.162 -0.377 9.649 1.00 18.54 C ATOM 220 CG PHE A 26 -1.645 0.381 10.843 1.00 18.75 C ATOM 221 CD1 PHE A 26 -2.575 1.405 10.697 1.00 18.94 C ATOM 222 CD2 PHE A 26 -1.208 0.046 12.113 1.00 18.85 C ATOM 223 CE1 PHE A 26 -3.042 2.098 11.800 1.00 19.06 C ATOM 224 CE2 PHE A 26 -1.668 0.734 13.221 1.00 19.12 C ATOM 225 CZ PHE A 26 -2.590 1.759 13.065 1.00 19.15 C ATOM 226 H PHE A 26 -1.249 -3.194 10.352 1.00 0.00 H ATOM 227 N CYS A 27 -1.089 -2.976 7.544 1.00 18.21 N ATOM 228 CA CYS A 27 -0.842 -3.427 6.169 1.00 18.20 C ATOM 229 C CYS A 27 -2.094 -4.113 5.618 1.00 18.47 C ATOM 230 O CYS A 27 -2.425 -5.230 6.011 1.00 18.28 O ATOM 231 CB CYS A 27 0.372 -4.349 6.105 1.00 18.13 C ATOM 232 SG CYS A 27 1.847 -3.692 6.912 1.00 18.20 S ATOM 233 H CYS A 27 -0.679 -3.507 8.339 1.00 0.00 H ATOM 234 N GLY A 28 -2.779 -3.422 4.708 1.00 18.79 N ATOM 235 CA GLY A 28 -4.115 -3.808 4.241 1.00 19.23 C ATOM 236 C GLY A 28 -5.041 -2.606 4.221 1.00 19.49 C ATOM 237 O GLY A 28 -4.688 -1.539 4.730 1.00 19.37 O ATOM 238 H GLY A 28 -2.345 -2.566 4.309 1.00 0.00 H ATOM 239 N LEU A 29 -6.228 -2.776 3.645 1.00 19.79 N ATOM 240 CA LEU A 29 -7.185 -1.666 3.494 1.00 20.26 C ATOM 241 C LEU A 29 -7.613 -1.098 4.848 1.00 20.18 C ATOM 242 O LEU A 29 -8.202 -1.805 5.664 1.00 20.46 O ATOM 243 CB LEU A 29 -8.418 -2.117 2.703 1.00 20.74 C ATOM 244 CG LEU A 29 -9.422 -1.037 2.285 1.00 21.18 C ATOM 245 CD1 LEU A 29 -8.807 -0.012 1.343 1.00 21.41 C ATOM 246 CD2 LEU A 29 -10.632 -1.685 1.638 1.00 21.60 C ATOM 247 H LEU A 29 -6.488 -3.719 3.291 1.00 0.00 H ATOM 248 N GLY A 30 -7.305 0.178 5.073 1.00 20.16 N ATOM 249 CA GLY A 30 -7.562 0.835 6.357 1.00 20.27 C ATOM 250 C GLY A 30 -6.570 0.391 7.417 1.00 20.36 C ATOM 251 O GLY A 30 -5.408 0.122 7.109 1.00 20.13 O ATOM 252 H GLY A 30 -6.865 0.729 4.308 1.00 0.00 H ATOM 253 N GLY A 31 -7.032 0.309 8.661 1.00 20.75 N ATOM 254 CA GLY A 31 -6.189 -0.101 9.784 1.00 20.90 C ATOM 255 C GLY A 31 -6.300 0.831 10.974 1.00 21.34 C ATOM 256 O GLY A 31 -6.564 2.022 10.831 1.00 21.33 O ATOM 257 H GLY A 31 -8.029 0.545 8.842 1.00 0.00 H ATOM 258 N HIS A 32 -6.079 0.265 12.153 1.00 21.61 N ATOM 259 CA HIS A 32 -6.206 0.981 13.416 1.00 21.81 C ATOM 260 C HIS A 32 -5.480 0.171 14.477 1.00 22.03 C ATOM 261 O HIS A 32 -5.352 -1.041 14.337 1.00 21.90 O ATOM 262 CB HIS A 32 -7.682 1.116 13.800 1.00 22.09 C ATOM 263 CG HIS A 32 -8.392 -0.199 13.905 1.00 22.18 C ATOM 264 ND1 HIS A 32 -8.391 -0.955 15.057 1.00 22.13 N ATOM 265 CD2 HIS A 32 -9.089 -0.911 12.989 1.00 22.38 C ATOM 266 CE1 HIS A 32 -9.071 -2.069 14.851 1.00 22.38 C ATOM 267 NE2 HIS A 32 -9.507 -2.065 13.605 1.00 22.66 N ATOM 268 H HIS A 32 -5.802 -0.737 12.177 1.00 0.00 H ATOM 269 N GLY A 33 -5.016 0.837 15.528 1.00 22.30 N ATOM 270 CA GLY A 33 -4.374 0.162 16.657 1.00 23.09 C ATOM 271 C GLY A 33 -2.931 0.550 16.842 1.00 23.55 C ATOM 272 O GLY A 33 -2.421 1.444 16.177 1.00 23.31 O ATOM 273 H GLY A 33 -5.112 1.872 15.550 1.00 0.00 H ATOM 274 N GLN A 34 -2.290 -0.128 17.783 1.00 24.01 N ATOM 275 CA GLN A 34 -0.857 -0.015 17.990 1.00 24.81 C ATOM 276 C GLN A 34 -0.174 -0.858 16.911 1.00 24.11 C ATOM 277 O GLN A 34 -0.523 -2.030 16.756 1.00 23.52 O ATOM 278 CB GLN A 34 -0.488 -0.535 19.383 1.00 25.99 C ATOM 279 CG GLN A 34 0.960 -0.300 19.792 1.00 27.24 C ATOM 280 CD GLN A 34 1.335 1.174 19.852 1.00 28.18 C ATOM 281 OE1 GLN A 34 0.551 2.010 20.308 1.00 29.69 O ATOM 282 NE2 GLN A 34 2.537 1.501 19.388 1.00 28.94 N ATOM 283 HE22 GLN A 34 3.167 0.764 19.012 1.00 0.00 H ATOM 284 HE21 GLN A 34 2.847 2.494 19.401 1.00 0.00 H ATOM 285 H GLN A 34 -2.835 -0.766 18.398 1.00 0.00 H ATOM 286 N PRO A 35 0.770 -0.271 16.140 1.00 23.39 N ATOM 287 CA PRO A 35 1.502 -1.110 15.183 1.00 23.23 C ATOM 288 C PRO A 35 2.317 -2.209 15.875 1.00 23.15 C ATOM 289 O PRO A 35 2.953 -1.951 16.894 1.00 22.86 O ATOM 290 CB PRO A 35 2.413 -0.110 14.461 1.00 23.26 C ATOM 291 CG PRO A 35 1.700 1.191 14.578 1.00 23.39 C ATOM 292 CD PRO A 35 1.068 1.159 15.937 1.00 23.42 C ATOM 293 N ARG A 36 2.263 -3.420 15.328 1.00 23.13 N ATOM 294 CA ARG A 36 2.872 -4.604 15.947 1.00 23.42 C ATOM 295 C ARG A 36 4.379 -4.694 15.821 1.00 22.34 C ATOM 296 O ARG A 36 5.037 -5.283 16.680 1.00 22.09 O ATOM 297 CB ARG A 36 2.261 -5.889 15.360 1.00 24.27 C ATOM 298 CG ARG A 36 0.776 -6.148 15.619 1.00 25.41 C ATOM 299 CD ARG A 36 0.120 -5.225 16.641 1.00 26.40 C ATOM 300 NE ARG A 36 -0.724 -5.915 17.606 1.00 27.75 N ATOM 301 CZ ARG A 36 -1.567 -5.315 18.443 1.00 28.31 C ATOM 302 NH1 ARG A 36 -1.720 -3.990 18.441 1.00 28.66 N ATOM 303 NH2 ARG A 36 -2.277 -6.052 19.289 1.00 29.33 N ATOM 304 HE ARG A 36 -0.664 -6.953 17.644 1.00 0.00 H ATOM 305 HH12 ARG A 36 -2.385 -3.542 19.104 1.00 0.00 H ATOM 306 HH11 ARG A 36 -1.175 -3.405 17.776 1.00 0.00 H ATOM 307 HH22 ARG A 36 -2.939 -5.595 19.948 1.00 0.00 H ATOM 308 HH21 ARG A 36 -2.171 -7.087 19.293 1.00 0.00 H ATOM 309 H ARG A 36 1.767 -3.533 14.421 1.00 0.00 H ATOM 310 N ASP A 37 4.917 -4.135 14.746 1.00 21.22 N ATOM 311 CA ASP A 37 6.333 -4.281 14.430 1.00 20.65 C ATOM 312 C ASP A 37 6.768 -3.207 13.424 1.00 20.31 C ATOM 313 O ASP A 37 5.983 -2.312 13.100 1.00 20.00 O ATOM 314 CB ASP A 37 6.624 -5.722 13.947 1.00 20.40 C ATOM 315 CG ASP A 37 6.051 -6.035 12.573 1.00 20.26 C ATOM 316 OD1 ASP A 37 5.240 -5.256 12.026 1.00 20.03 O ATOM 317 OD2 ASP A 37 6.433 -7.095 12.040 1.00 19.84 O ATOM 318 H ASP A 37 4.312 -3.577 14.110 1.00 0.00 H ATOM 319 N ALA A 38 8.012 -3.298 12.953 1.00 19.83 N ATOM 320 CA ALA A 38 8.579 -2.328 12.009 1.00 19.76 C ATOM 321 C ALA A 38 7.772 -2.242 10.717 1.00 19.55 C ATOM 322 O ALA A 38 7.439 -1.150 10.253 1.00 19.53 O ATOM 323 CB ALA A 38 10.019 -2.692 11.694 1.00 19.81 C ATOM 324 H ALA A 38 8.606 -4.091 13.268 1.00 0.00 H ATOM 325 N ILE A 39 7.469 -3.406 10.148 1.00 19.33 N ATOM 326 CA ILE A 39 6.622 -3.515 8.954 1.00 19.07 C ATOM 327 C ILE A 39 5.291 -2.787 9.147 1.00 18.77 C ATOM 328 O ILE A 39 4.874 -2.011 8.284 1.00 17.75 O ATOM 329 CB ILE A 39 6.386 -4.995 8.561 1.00 19.20 C ATOM 330 CG1 ILE A 39 7.666 -5.565 7.947 1.00 19.46 C ATOM 331 CG2 ILE A 39 5.233 -5.133 7.565 1.00 19.18 C ATOM 332 CD1 ILE A 39 7.647 -7.057 7.686 1.00 19.71 C ATOM 333 H ILE A 39 7.849 -4.278 10.568 1.00 0.00 H ATOM 334 N ASP A 40 4.643 -3.033 10.283 1.00 18.54 N ATOM 335 CA ASP A 40 3.348 -2.419 10.574 1.00 18.74 C ATOM 336 C ASP A 40 3.470 -0.900 10.721 1.00 18.81 C ATOM 337 O ASP A 40 2.579 -0.155 10.300 1.00 18.60 O ATOM 338 CB ASP A 40 2.713 -3.037 11.830 1.00 18.87 C ATOM 339 CG ASP A 40 1.198 -3.117 11.754 1.00 18.76 C ATOM 340 OD1 ASP A 40 0.606 -2.962 10.663 1.00 18.44 O ATOM 341 OD2 ASP A 40 0.580 -3.380 12.808 1.00 18.57 O ATOM 342 H ASP A 40 5.068 -3.677 10.980 1.00 0.00 H ATOM 343 N TRP A 41 4.578 -0.455 11.314 1.00 19.04 N ATOM 344 CA TRP A 41 4.914 0.976 11.355 1.00 19.39 C ATOM 345 C TRP A 41 5.065 1.593 9.959 1.00 18.82 C ATOM 346 O TRP A 41 4.549 2.685 9.713 1.00 18.41 O ATOM 347 CB TRP A 41 6.172 1.235 12.196 1.00 19.95 C ATOM 348 CG TRP A 41 5.886 1.381 13.656 1.00 20.67 C ATOM 349 CD1 TRP A 41 6.262 0.534 14.657 1.00 20.89 C ATOM 350 CD2 TRP A 41 5.157 2.443 14.279 1.00 21.36 C ATOM 351 NE1 TRP A 41 5.816 1.005 15.868 1.00 21.48 N ATOM 352 CE2 TRP A 41 5.132 2.175 15.666 1.00 21.46 C ATOM 353 CE3 TRP A 41 4.520 3.598 13.800 1.00 21.66 C ATOM 354 CZ2 TRP A 41 4.495 3.020 16.583 1.00 21.72 C ATOM 355 CZ3 TRP A 41 3.882 4.439 14.713 1.00 21.92 C ATOM 356 CH2 TRP A 41 3.880 4.145 16.090 1.00 21.86 C ATOM 357 HE1 TRP A 41 5.972 0.548 16.789 1.00 0.00 H ATOM 358 H TRP A 41 5.222 -1.139 11.760 1.00 0.00 H ATOM 359 N CYS A 42 5.759 0.897 9.056 1.00 18.54 N ATOM 360 CA CYS A 42 5.877 1.346 7.656 1.00 18.37 C ATOM 361 C CYS A 42 4.502 1.547 7.024 1.00 18.07 C ATOM 362 O CYS A 42 4.262 2.553 6.356 1.00 17.91 O ATOM 363 CB CYS A 42 6.672 0.349 6.803 1.00 18.48 C ATOM 364 SG CYS A 42 8.387 0.089 7.299 1.00 18.77 S ATOM 365 H CYS A 42 6.228 0.016 9.347 1.00 0.00 H ATOM 366 N CYS A 43 3.608 0.590 7.262 1.00 17.72 N ATOM 367 CA CYS A 43 2.241 0.642 6.749 1.00 17.82 C ATOM 368 C CYS A 43 1.400 1.753 7.373 1.00 17.99 C ATOM 369 O CYS A 43 0.620 2.402 6.674 1.00 17.99 O ATOM 370 CB CYS A 43 1.553 -0.706 6.938 1.00 17.79 C ATOM 371 SG CYS A 43 2.229 -1.996 5.872 1.00 17.60 S ATOM 372 H CYS A 43 3.894 -0.228 7.837 1.00 0.00 H ATOM 373 N HIS A 44 1.553 1.967 8.677 1.00 18.21 N ATOM 374 CA HIS A 44 0.908 3.099 9.348 1.00 18.34 C ATOM 375 C HIS A 44 1.352 4.422 8.715 1.00 18.11 C ATOM 376 O HIS A 44 0.527 5.281 8.406 1.00 17.55 O ATOM 377 CB HIS A 44 1.234 3.100 10.843 1.00 18.71 C ATOM 378 CG HIS A 44 0.765 4.329 11.559 1.00 19.18 C ATOM 379 ND1 HIS A 44 1.530 5.472 11.655 1.00 19.35 N ATOM 380 CD2 HIS A 44 -0.397 4.601 12.199 1.00 19.42 C ATOM 381 CE1 HIS A 44 0.862 6.392 12.327 1.00 19.39 C ATOM 382 NE2 HIS A 44 -0.311 5.889 12.668 1.00 19.50 N ATOM 383 H HIS A 44 2.144 1.316 9.233 1.00 0.00 H ATOM 384 N GLY A 45 2.663 4.566 8.539 1.00 17.94 N ATOM 385 CA GLY A 45 3.257 5.732 7.873 1.00 17.91 C ATOM 386 C GLY A 45 2.718 5.955 6.468 1.00 17.70 C ATOM 387 O GLY A 45 2.419 7.081 6.079 1.00 17.97 O ATOM 388 H GLY A 45 3.296 3.819 8.889 1.00 0.00 H ATOM 389 N HIS A 46 2.591 4.866 5.716 1.00 17.59 N ATOM 390 CA HIS A 46 2.009 4.890 4.376 1.00 17.45 C ATOM 391 C HIS A 46 0.533 5.288 4.378 1.00 17.60 C ATOM 392 O HIS A 46 0.109 6.091 3.539 1.00 16.84 O ATOM 393 CB HIS A 46 2.186 3.528 3.716 1.00 17.23 C ATOM 394 CG HIS A 46 1.937 3.532 2.240 1.00 17.17 C ATOM 395 ND1 HIS A 46 1.000 2.720 1.641 1.00 17.03 N ATOM 396 CD2 HIS A 46 2.510 4.244 1.242 1.00 16.98 C ATOM 397 CE1 HIS A 46 1.003 2.936 0.339 1.00 17.12 C ATOM 398 NE2 HIS A 46 1.913 3.853 0.070 1.00 16.94 N ATOM 399 H HIS A 46 2.921 3.957 6.098 1.00 0.00 H ATOM 400 N ASP A 47 -0.233 4.723 5.315 1.00 17.77 N ATOM 401 CA ASP A 47 -1.647 5.085 5.512 1.00 18.40 C ATOM 402 C ASP A 47 -1.820 6.591 5.718 1.00 18.95 C ATOM 403 O ASP A 47 -2.693 7.217 5.109 1.00 18.54 O ATOM 404 CB ASP A 47 -2.248 4.326 6.709 1.00 18.19 C ATOM 405 CG ASP A 47 -2.512 2.858 6.414 1.00 18.08 C ATOM 406 OD1 ASP A 47 -2.079 2.336 5.364 1.00 17.89 O ATOM 407 OD2 ASP A 47 -3.172 2.189 7.237 1.00 18.15 O ATOM 408 H ASP A 47 0.186 3.997 5.931 1.00 0.00 H ATOM 409 N CYS A 48 -0.974 7.154 6.577 1.00 20.13 N ATOM 410 CA CYS A 48 -0.908 8.602 6.804 1.00 21.19 C ATOM 411 C CYS A 48 -0.582 9.387 5.534 1.00 20.86 C ATOM 412 O CYS A 48 -1.212 10.405 5.246 1.00 20.64 O ATOM 413 CB CYS A 48 0.139 8.918 7.872 1.00 22.53 C ATOM 414 SG CYS A 48 -0.311 8.316 9.511 1.00 24.47 S ATOM 415 H CYS A 48 -0.329 6.539 7.113 1.00 0.00 H ATOM 416 N CYS A 49 0.406 8.904 4.789 1.00 20.31 N ATOM 417 CA CYS A 49 0.827 9.536 3.536 1.00 19.99 C ATOM 418 C CYS A 49 -0.315 9.599 2.515 1.00 19.90 C ATOM 419 O CYS A 49 -0.530 10.633 1.876 1.00 19.51 O ATOM 420 CB CYS A 49 2.030 8.796 2.943 1.00 19.84 C ATOM 421 SG CYS A 49 3.022 9.811 1.827 1.00 20.04 S ATOM 422 H CYS A 49 0.899 8.045 5.107 1.00 0.00 H ATOM 423 N TYR A 50 -1.036 8.487 2.378 1.00 20.02 N ATOM 424 CA TYR A 50 -2.218 8.400 1.506 1.00 20.18 C ATOM 425 C TYR A 50 -3.365 9.306 1.967 1.00 21.43 C ATOM 426 O TYR A 50 -4.038 9.927 1.138 1.00 21.82 O ATOM 427 CB TYR A 50 -2.694 6.937 1.388 1.00 19.45 C ATOM 428 CG TYR A 50 -2.061 6.144 0.254 1.00 18.41 C ATOM 429 CD1 TYR A 50 -0.782 6.444 -0.230 1.00 18.00 C ATOM 430 CD2 TYR A 50 -2.743 5.077 -0.333 1.00 17.98 C ATOM 431 CE1 TYR A 50 -0.218 5.720 -1.271 1.00 17.58 C ATOM 432 CE2 TYR A 50 -2.178 4.343 -1.373 1.00 17.60 C ATOM 433 CZ TYR A 50 -0.915 4.669 -1.836 1.00 17.34 C ATOM 434 OH TYR A 50 -0.344 3.946 -2.862 1.00 16.93 O ATOM 435 HH TYR A 50 0.553 4.313 -3.064 1.00 0.00 H ATOM 436 H TYR A 50 -0.750 7.642 2.912 1.00 0.00 H ATOM 437 N THR A 51 -3.588 9.370 3.278 1.00 22.48 N ATOM 438 CA THR A 51 -4.580 10.282 3.862 1.00 23.54 C ATOM 439 C THR A 51 -4.256 11.727 3.490 1.00 24.88 C ATOM 440 O THR A 51 -5.132 12.465 3.039 1.00 25.02 O ATOM 441 CB THR A 51 -4.649 10.127 5.394 1.00 23.55 C ATOM 442 OG1 THR A 51 -5.046 8.789 5.705 1.00 23.30 O ATOM 443 CG2 THR A 51 -5.657 11.104 6.033 1.00 23.74 C ATOM 444 HG1 THR A 51 -4.383 8.154 5.333 1.00 0.00 H ATOM 445 H THR A 51 -3.040 8.752 3.911 1.00 0.00 H ATOM 446 N ARG A 52 -2.996 12.112 3.672 1.00 26.39 N ATOM 447 CA ARG A 52 -2.515 13.431 3.249 1.00 27.90 C ATOM 448 C ARG A 52 -2.714 13.676 1.751 1.00 27.37 C ATOM 449 O ARG A 52 -3.198 14.739 1.358 1.00 27.08 O ATOM 450 CB ARG A 52 -1.044 13.630 3.643 1.00 29.25 C ATOM 451 CG ARG A 52 -0.794 13.707 5.147 1.00 31.36 C ATOM 452 CD ARG A 52 -1.525 14.871 5.808 1.00 33.28 C ATOM 453 NE ARG A 52 -1.346 14.892 7.263 1.00 35.52 N ATOM 454 CZ ARG A 52 -2.247 14.515 8.181 1.00 37.27 C ATOM 455 NH1 ARG A 52 -3.460 14.059 7.849 1.00 38.43 N ATOM 456 NH2 ARG A 52 -1.927 14.604 9.470 1.00 38.07 N ATOM 457 HE ARG A 52 -0.430 15.233 7.618 1.00 0.00 H ATOM 458 HH12 ARG A 52 -4.131 13.776 8.592 1.00 0.00 H ATOM 459 HH11 ARG A 52 -3.732 13.987 6.848 1.00 0.00 H ATOM 460 HH22 ARG A 52 -2.613 14.316 10.197 1.00 0.00 H ATOM 461 HH21 ARG A 52 -0.991 14.961 9.750 1.00 0.00 H ATOM 462 H ARG A 52 -2.330 11.456 4.129 1.00 0.00 H ATOM 463 N ALA A 53 -2.367 12.685 0.932 1.00 27.15 N ATOM 464 CA ALA A 53 -2.584 12.759 -0.520 1.00 27.29 C ATOM 465 C ALA A 53 -4.049 13.020 -0.877 1.00 27.42 C ATOM 466 O ALA A 53 -4.340 13.866 -1.725 1.00 26.30 O ATOM 467 CB ALA A 53 -2.082 11.498 -1.210 1.00 27.13 C ATOM 468 H ALA A 53 -1.928 11.831 1.332 1.00 0.00 H ATOM 469 N GLU A 54 -4.961 12.313 -0.211 1.00 28.54 N ATOM 470 CA GLU A 54 -6.401 12.522 -0.409 1.00 30.04 C ATOM 471 C GLU A 54 -6.867 13.905 0.037 1.00 29.45 C ATOM 472 O GLU A 54 -7.639 14.555 -0.672 1.00 29.07 O ATOM 473 CB GLU A 54 -7.225 11.431 0.285 1.00 31.85 C ATOM 474 CG GLU A 54 -7.060 10.068 -0.368 1.00 33.60 C ATOM 475 CD GLU A 54 -8.372 9.348 -0.638 1.00 35.91 C ATOM 476 OE1 GLU A 54 -8.724 9.165 -1.827 1.00 38.26 O ATOM 477 OE2 GLU A 54 -9.052 8.965 0.336 1.00 37.40 O ATOM 478 H GLU A 54 -4.644 11.592 0.469 1.00 0.00 H ATOM 479 N GLU A 55 -6.380 14.359 1.189 1.00 29.03 N ATOM 480 CA GLU A 55 -6.661 15.721 1.675 1.00 28.83 C ATOM 481 C GLU A 55 -6.165 16.826 0.724 1.00 27.46 C ATOM 482 O GLU A 55 -6.734 17.917 0.691 1.00 27.45 O ATOM 483 CB GLU A 55 -6.071 15.922 3.072 1.00 30.02 C ATOM 484 CG GLU A 55 -6.800 15.133 4.150 1.00 31.32 C ATOM 485 CD GLU A 55 -6.190 15.282 5.534 1.00 32.67 C ATOM 486 OE1 GLU A 55 -5.137 15.947 5.679 1.00 34.27 O ATOM 487 OE2 GLU A 55 -6.775 14.726 6.488 1.00 33.78 O ATOM 488 H GLU A 55 -5.782 13.732 1.765 1.00 0.00 H ATOM 489 N ALA A 56 -5.118 16.530 -0.045 1.00 25.58 N ATOM 490 CA ALA A 56 -4.602 17.432 -1.085 1.00 24.40 C ATOM 491 C ALA A 56 -5.387 17.413 -2.412 1.00 23.24 C ATOM 492 O ALA A 56 -5.080 18.194 -3.312 1.00 22.77 O ATOM 493 CB ALA A 56 -3.135 17.118 -1.349 1.00 24.59 C ATOM 494 H ALA A 56 -4.642 15.616 0.097 1.00 0.00 H ATOM 495 N GLY A 57 -6.381 16.530 -2.531 1.00 22.05 N ATOM 496 CA GLY A 57 -7.199 16.395 -3.744 1.00 21.47 C ATOM 497 C GLY A 57 -6.749 15.325 -4.729 1.00 21.02 C ATOM 498 O GLY A 57 -7.069 15.408 -5.914 1.00 20.70 O ATOM 499 H GLY A 57 -6.587 15.906 -1.725 1.00 0.00 H ATOM 500 N CYS A 58 -6.022 14.317 -4.245 1.00 20.67 N ATOM 501 CA CYS A 58 -5.528 13.224 -5.093 1.00 20.43 C ATOM 502 C CYS A 58 -6.276 11.918 -4.824 1.00 20.24 C ATOM 503 O CYS A 58 -7.020 11.802 -3.850 1.00 20.41 O ATOM 504 CB CYS A 58 -4.033 13.008 -4.871 1.00 20.44 C ATOM 505 SG CYS A 58 -3.038 14.508 -4.968 1.00 20.26 S ATOM 506 H CYS A 58 -5.797 14.304 -3.230 1.00 0.00 H ATOM 507 N SER A 59 -6.052 10.941 -5.699 1.00 19.60 N ATOM 508 CA SER A 59 -6.665 9.613 -5.602 1.00 19.44 C ATOM 509 C SER A 59 -5.550 8.548 -5.507 1.00 19.12 C ATOM 510 O SER A 59 -5.233 7.882 -6.495 1.00 18.73 O ATOM 511 CB SER A 59 -7.590 9.368 -6.796 1.00 19.47 C ATOM 512 OG SER A 59 -8.356 8.190 -6.618 1.00 19.82 O ATOM 513 HG SER A 59 -7.749 7.414 -6.524 1.00 0.00 H ATOM 514 H SER A 59 -5.408 11.129 -6.494 1.00 0.00 H ATOM 515 N PRO A 60 -4.948 8.390 -4.308 1.00 19.10 N ATOM 516 CA PRO A 60 -3.763 7.539 -4.117 1.00 19.08 C ATOM 517 C PRO A 60 -3.909 6.054 -4.457 1.00 19.30 C ATOM 518 O PRO A 60 -2.905 5.403 -4.726 1.00 19.20 O ATOM 519 CB PRO A 60 -3.412 7.724 -2.633 1.00 19.12 C ATOM 520 CG PRO A 60 -4.611 8.303 -1.993 1.00 19.18 C ATOM 521 CD PRO A 60 -5.354 9.047 -3.057 1.00 19.07 C ATOM 522 N LYS A 61 -5.128 5.526 -4.423 1.00 20.10 N ATOM 523 CA LYS A 61 -5.385 4.133 -4.797 1.00 20.47 C ATOM 524 C LYS A 61 -5.478 3.891 -6.312 1.00 19.96 C ATOM 525 O LYS A 61 -5.236 2.773 -6.766 1.00 19.94 O ATOM 526 CB LYS A 61 -6.653 3.631 -4.101 1.00 21.54 C ATOM 527 CG LYS A 61 -6.553 3.641 -2.583 1.00 22.42 C ATOM 528 CD LYS A 61 -7.758 2.993 -1.915 1.00 23.44 C ATOM 529 CE LYS A 61 -8.992 3.878 -1.984 1.00 24.30 C ATOM 530 NZ LYS A 61 -10.129 3.319 -1.197 1.00 25.30 N ATOM 531 HZ1 LYS A 61 -10.381 2.382 -1.571 1.00 0.00 H ATOM 532 HZ2 LYS A 61 -9.848 3.231 -0.199 1.00 0.00 H ATOM 533 HZ3 LYS A 61 -10.948 3.956 -1.273 1.00 0.00 H ATOM 534 H LYS A 61 -5.926 6.121 -4.121 1.00 0.00 H ATOM 535 N THR A 62 -5.803 4.930 -7.088 1.00 19.32 N ATOM 536 CA THR A 62 -6.090 4.778 -8.530 1.00 18.91 C ATOM 537 C THR A 62 -5.137 5.464 -9.525 1.00 18.94 C ATOM 538 O THR A 62 -4.904 4.927 -10.603 1.00 18.56 O ATOM 539 CB THR A 62 -7.529 5.227 -8.868 1.00 18.75 C ATOM 540 OG1 THR A 62 -7.674 6.631 -8.628 1.00 18.84 O ATOM 541 CG2 THR A 62 -8.553 4.449 -8.032 1.00 18.57 C ATOM 542 HG1 THR A 62 -7.488 6.823 -7.675 1.00 0.00 H ATOM 543 H THR A 62 -5.856 5.878 -6.663 1.00 0.00 H ATOM 544 N GLU A 63 -4.612 6.642 -9.192 1.00 19.24 N ATOM 545 CA GLU A 63 -3.838 7.436 -10.164 1.00 19.55 C ATOM 546 C GLU A 63 -2.564 6.734 -10.632 1.00 19.41 C ATOM 547 O GLU A 63 -1.753 6.306 -9.813 1.00 19.01 O ATOM 548 CB GLU A 63 -3.447 8.789 -9.580 1.00 20.27 C ATOM 549 CG GLU A 63 -4.581 9.781 -9.477 1.00 20.95 C ATOM 550 CD GLU A 63 -4.111 11.156 -9.046 1.00 21.50 C ATOM 551 OE1 GLU A 63 -4.563 11.641 -7.984 1.00 21.44 O ATOM 552 OE2 GLU A 63 -3.293 11.755 -9.778 1.00 21.81 O ATOM 553 H GLU A 63 -4.751 7.009 -8.229 1.00 0.00 H ATOM 554 N ARG A 64 -2.402 6.633 -11.949 1.00 19.12 N ATOM 555 CA ARG A 64 -1.193 6.075 -12.541 1.00 19.08 C ATOM 556 C ARG A 64 -0.066 7.107 -12.501 1.00 18.82 C ATOM 557 O ARG A 64 -0.309 8.309 -12.615 1.00 18.58 O ATOM 558 CB ARG A 64 -1.448 5.640 -13.991 1.00 19.19 C ATOM 559 CG ARG A 64 -2.507 4.551 -14.170 1.00 19.21 C ATOM 560 CD ARG A 64 -2.141 3.239 -13.487 1.00 19.32 C ATOM 561 NE ARG A 64 -0.809 2.773 -13.876 1.00 19.47 N ATOM 562 CZ ARG A 64 -0.505 2.136 -15.008 1.00 19.80 C ATOM 563 NH1 ARG A 64 0.756 1.779 -15.233 1.00 20.21 N ATOM 564 NH2 ARG A 64 -1.434 1.849 -15.919 1.00 20.06 N ATOM 565 HE ARG A 64 -0.030 2.955 -13.211 1.00 0.00 H ATOM 566 HH12 ARG A 64 1.007 1.282 -16.111 1.00 0.00 H ATOM 567 HH11 ARG A 64 1.491 1.997 -14.531 1.00 0.00 H ATOM 568 HH22 ARG A 64 -1.169 1.351 -16.793 1.00 0.00 H ATOM 569 HH21 ARG A 64 -2.424 2.123 -15.756 1.00 0.00 H ATOM 570 H ARG A 64 -3.163 6.963 -12.576 1.00 0.00 H ATOM 571 N TYR A 65 1.162 6.627 -12.324 1.00 18.45 N ATOM 572 CA TYR A 65 2.348 7.475 -12.407 1.00 18.42 C ATOM 573 C TYR A 65 3.543 6.667 -12.906 1.00 18.49 C ATOM 574 O TYR A 65 3.635 5.462 -12.665 1.00 18.28 O ATOM 575 CB TYR A 65 2.655 8.165 -11.065 1.00 18.04 C ATOM 576 CG TYR A 65 3.038 7.246 -9.919 1.00 17.78 C ATOM 577 CD1 TYR A 65 4.317 6.696 -9.835 1.00 17.71 C ATOM 578 CD2 TYR A 65 2.131 6.952 -8.898 1.00 17.81 C ATOM 579 CE1 TYR A 65 4.670 5.859 -8.791 1.00 17.83 C ATOM 580 CE2 TYR A 65 2.483 6.119 -7.845 1.00 17.65 C ATOM 581 CZ TYR A 65 3.755 5.583 -7.796 1.00 17.69 C ATOM 582 OH TYR A 65 4.119 4.757 -6.767 1.00 17.69 O ATOM 583 HH TYR A 65 4.034 5.244 -5.909 1.00 0.00 H ATOM 584 H TYR A 65 1.281 5.614 -12.120 1.00 0.00 H ATOM 585 N SER A 66 4.449 7.351 -13.597 1.00 19.00 N ATOM 586 CA SER A 66 5.658 6.736 -14.125 1.00 19.36 C ATOM 587 C SER A 66 6.741 6.668 -13.070 1.00 19.35 C ATOM 588 O SER A 66 6.873 7.554 -12.221 1.00 18.97 O ATOM 589 CB SER A 66 6.179 7.515 -15.326 1.00 19.82 C ATOM 590 OG SER A 66 5.244 7.454 -16.381 1.00 20.84 O ATOM 591 HG SER A 66 5.590 7.962 -17.157 1.00 0.00 H ATOM 592 H SER A 66 4.288 8.364 -13.767 1.00 0.00 H ATOM 593 N TRP A 67 7.521 5.603 -13.143 1.00 19.81 N ATOM 594 CA TRP A 67 8.656 5.416 -12.257 1.00 20.19 C ATOM 595 C TRP A 67 9.601 4.386 -12.844 1.00 20.38 C ATOM 596 O TRP A 67 9.251 3.685 -13.798 1.00 19.98 O ATOM 597 CB TRP A 67 8.189 4.988 -10.866 1.00 20.44 C ATOM 598 CG TRP A 67 7.504 3.662 -10.823 1.00 20.73 C ATOM 599 CD1 TRP A 67 6.227 3.377 -11.214 1.00 21.01 C ATOM 600 CD2 TRP A 67 8.061 2.435 -10.345 1.00 21.05 C ATOM 601 NE1 TRP A 67 5.955 2.043 -11.009 1.00 21.02 N ATOM 602 CE2 TRP A 67 7.066 1.442 -10.478 1.00 21.18 C ATOM 603 CE3 TRP A 67 9.311 2.076 -9.820 1.00 21.43 C ATOM 604 CZ2 TRP A 67 7.280 0.113 -10.095 1.00 21.39 C ATOM 605 CZ3 TRP A 67 9.526 0.753 -9.445 1.00 21.37 C ATOM 606 CH2 TRP A 67 8.515 -0.210 -9.582 1.00 21.33 C ATOM 607 HE1 TRP A 67 5.054 1.569 -11.222 1.00 0.00 H ATOM 608 H TRP A 67 7.315 4.876 -13.858 1.00 0.00 H ATOM 609 N GLN A 68 10.798 4.314 -12.269 1.00 20.89 N ATOM 610 CA GLN A 68 11.833 3.374 -12.707 1.00 21.33 C ATOM 611 C GLN A 68 12.364 2.585 -11.519 1.00 20.56 C ATOM 612 O GLN A 68 12.508 3.130 -10.423 1.00 20.12 O ATOM 613 CB GLN A 68 13.012 4.114 -13.349 1.00 22.51 C ATOM 614 CG GLN A 68 12.667 5.063 -14.489 1.00 23.65 C ATOM 615 CD GLN A 68 12.783 4.426 -15.862 1.00 25.05 C ATOM 616 OE1 GLN A 68 12.377 3.281 -16.064 1.00 25.90 O ATOM 617 NE2 GLN A 68 13.335 5.174 -16.822 1.00 26.15 N ATOM 618 HE22 GLN A 68 13.664 6.137 -16.606 1.00 0.00 H ATOM 619 HE21 GLN A 68 13.435 4.793 -17.785 1.00 0.00 H ATOM 620 H GLN A 68 11.008 4.952 -11.475 1.00 0.00 H ATOM 621 N CYS A 69 12.673 1.313 -11.761 1.00 19.95 N ATOM 622 CA CYS A 69 13.373 0.468 -10.802 1.00 19.93 C ATOM 623 C CYS A 69 14.819 0.346 -11.273 1.00 20.38 C ATOM 624 O CYS A 69 15.094 -0.285 -12.294 1.00 20.70 O ATOM 625 CB CYS A 69 12.721 -0.910 -10.696 1.00 19.69 C ATOM 626 SG CYS A 69 13.440 -1.948 -9.397 1.00 19.18 S ATOM 627 H CYS A 69 12.402 0.903 -12.678 1.00 0.00 H ATOM 628 N VAL A 70 15.727 0.981 -10.537 1.00 20.84 N ATOM 629 CA VAL A 70 17.148 1.023 -10.880 1.00 21.25 C ATOM 630 C VAL A 70 17.940 0.509 -9.685 1.00 21.66 C ATOM 631 O VAL A 70 17.913 1.121 -8.619 1.00 21.13 O ATOM 632 CB VAL A 70 17.596 2.459 -11.224 1.00 21.23 C ATOM 633 CG1 VAL A 70 19.066 2.495 -11.621 1.00 21.34 C ATOM 634 CG2 VAL A 70 16.740 3.029 -12.347 1.00 21.37 C ATOM 635 H VAL A 70 15.411 1.471 -9.676 1.00 0.00 H ATOM 636 N ASN A 71 18.640 -0.609 -9.871 1.00 22.53 N ATOM 637 CA ASN A 71 19.399 -1.261 -8.794 1.00 23.72 C ATOM 638 C ASN A 71 18.546 -1.518 -7.545 1.00 23.87 C ATOM 639 O ASN A 71 18.977 -1.237 -6.421 1.00 24.18 O ATOM 640 CB ASN A 71 20.603 -0.402 -8.396 1.00 24.25 C ATOM 641 CG ASN A 71 21.562 -0.144 -9.542 1.00 24.73 C ATOM 642 OD1 ASN A 71 21.619 -0.899 -10.517 1.00 25.22 O ATOM 643 ND2 ASN A 71 22.340 0.929 -9.419 1.00 25.10 N ATOM 644 HD22 ASN A 71 22.258 1.538 -8.580 1.00 0.00 H ATOM 645 HD21 ASN A 71 23.030 1.159 -10.162 1.00 0.00 H ATOM 646 H ASN A 71 18.650 -1.039 -10.818 1.00 0.00 H ATOM 647 N GLN A 72 17.332 -2.025 -7.753 1.00 24.22 N ATOM 648 CA GLN A 72 16.363 -2.223 -6.666 1.00 24.84 C ATOM 649 C GLN A 72 16.108 -0.938 -5.847 1.00 23.51 C ATOM 650 O GLN A 72 16.034 -0.976 -4.618 1.00 23.07 O ATOM 651 CB GLN A 72 16.814 -3.374 -5.750 1.00 26.10 C ATOM 652 CG GLN A 72 17.105 -4.673 -6.486 1.00 27.77 C ATOM 653 CD GLN A 72 17.269 -5.866 -5.555 1.00 29.15 C ATOM 654 OE1 GLN A 72 17.585 -5.713 -4.373 1.00 31.32 O ATOM 655 NE2 GLN A 72 17.052 -7.065 -6.085 1.00 29.96 N ATOM 656 HE22 GLN A 72 16.787 -7.150 -7.087 1.00 0.00 H ATOM 657 HE21 GLN A 72 17.147 -7.918 -5.498 1.00 0.00 H ATOM 658 H GLN A 72 17.060 -2.291 -8.721 1.00 0.00 H ATOM 659 N SER A 73 16.005 0.193 -6.545 1.00 22.54 N ATOM 660 CA SER A 73 15.640 1.485 -5.951 1.00 21.73 C ATOM 661 C SER A 73 14.604 2.148 -6.844 1.00 20.81 C ATOM 662 O SER A 73 14.657 2.014 -8.066 1.00 20.38 O ATOM 663 CB SER A 73 16.849 2.420 -5.816 1.00 22.07 C ATOM 664 OG SER A 73 17.916 1.818 -5.113 1.00 22.78 O ATOM 665 HG SER A 73 18.209 1.004 -5.594 1.00 0.00 H ATOM 666 H SER A 73 16.194 0.158 -7.567 1.00 0.00 H ATOM 667 N VAL A 74 13.672 2.870 -6.228 1.00 19.99 N ATOM 668 CA VAL A 74 12.605 3.551 -6.958 1.00 19.48 C ATOM 669 C VAL A 74 13.037 4.969 -7.303 1.00 19.24 C ATOM 670 O VAL A 74 13.422 5.735 -6.419 1.00 19.04 O ATOM 671 CB VAL A 74 11.293 3.588 -6.145 1.00 19.31 C ATOM 672 CG1 VAL A 74 10.226 4.428 -6.842 1.00 19.22 C ATOM 673 CG2 VAL A 74 10.777 2.178 -5.931 1.00 19.09 C ATOM 674 H VAL A 74 13.704 2.953 -5.192 1.00 0.00 H ATOM 675 N LEU A 75 12.960 5.302 -8.590 1.00 19.08 N ATOM 676 CA LEU A 75 13.127 6.677 -9.069 1.00 19.12 C ATOM 677 C LEU A 75 11.785 7.164 -9.620 1.00 18.83 C ATOM 678 O LEU A 75 11.224 6.549 -10.524 1.00 18.81 O ATOM 679 CB LEU A 75 14.212 6.747 -10.145 1.00 19.29 C ATOM 680 CG LEU A 75 15.630 6.285 -9.765 1.00 19.49 C ATOM 681 CD1 LEU A 75 16.550 6.483 -10.953 1.00 19.49 C ATOM 682 CD2 LEU A 75 16.238 6.987 -8.560 1.00 19.71 C ATOM 683 H LEU A 75 12.773 4.553 -9.287 1.00 0.00 H ATOM 684 N CYS A 76 11.284 8.263 -9.057 1.00 18.42 N ATOM 685 CA CYS A 76 9.965 8.812 -9.386 1.00 18.51 C ATOM 686 C CYS A 76 9.996 9.781 -10.562 1.00 18.81 C ATOM 687 O CYS A 76 10.659 10.808 -10.495 1.00 18.98 O ATOM 688 CB CYS A 76 9.402 9.555 -8.175 1.00 18.10 C ATOM 689 SG CYS A 76 8.931 8.471 -6.819 1.00 17.80 S ATOM 690 H CYS A 76 11.860 8.758 -8.346 1.00 0.00 H ATOM 691 N GLY A 77 9.264 9.466 -11.626 1.00 19.14 N ATOM 692 CA GLY A 77 9.087 10.401 -12.742 1.00 19.48 C ATOM 693 C GLY A 77 9.039 9.723 -14.098 1.00 19.80 C ATOM 694 O GLY A 77 9.327 8.526 -14.189 1.00 19.99 O ATOM 695 H GLY A 77 8.805 8.533 -11.668 1.00 0.00 H ATOM 696 N PRO A 78 8.687 10.463 -15.158 1.00 20.19 N ATOM 697 CA PRO A 78 8.321 11.891 -15.102 1.00 20.29 C ATOM 698 C PRO A 78 6.918 12.165 -14.547 1.00 20.06 C ATOM 699 O PRO A 78 5.974 11.468 -14.911 1.00 19.77 O ATOM 700 CB PRO A 78 8.379 12.336 -16.571 1.00 20.65 C ATOM 701 CG PRO A 78 8.643 11.129 -17.395 1.00 20.57 C ATOM 702 CD PRO A 78 8.627 9.918 -16.522 1.00 20.56 C ATOM 703 N ALA A 79 6.800 13.186 -13.696 1.00 19.84 N ATOM 704 CA ALA A 79 5.521 13.585 -13.091 1.00 19.65 C ATOM 705 C ALA A 79 4.799 14.643 -13.929 1.00 19.93 C ATOM 706 O ALA A 79 5.357 15.706 -14.206 1.00 19.83 O ATOM 707 CB ALA A 79 5.748 14.115 -11.685 1.00 19.57 C ATOM 708 H ALA A 79 7.654 13.726 -13.449 1.00 0.00 H ATOM 709 N GLU A 80 3.559 14.349 -14.318 1.00 19.74 N ATOM 710 CA GLU A 80 2.702 15.311 -15.031 1.00 19.87 C ATOM 711 C GLU A 80 2.034 16.337 -14.112 1.00 20.28 C ATOM 712 O GLU A 80 1.616 17.405 -14.571 1.00 20.51 O ATOM 713 CB GLU A 80 1.620 14.571 -15.812 1.00 19.72 C ATOM 714 CG GLU A 80 2.165 13.700 -16.924 1.00 19.62 C ATOM 715 CD GLU A 80 1.101 12.831 -17.558 1.00 19.77 C ATOM 716 OE1 GLU A 80 0.443 12.068 -16.820 1.00 19.56 O ATOM 717 OE2 GLU A 80 0.941 12.897 -18.794 1.00 19.33 O ATOM 718 H GLU A 80 3.181 13.403 -14.110 1.00 0.00 H ATOM 719 N ASN A 81 1.912 16.004 -12.830 1.00 20.72 N ATOM 720 CA ASN A 81 1.271 16.886 -11.854 1.00 21.10 C ATOM 721 C ASN A 81 1.750 16.581 -10.439 1.00 21.72 C ATOM 722 O ASN A 81 2.513 15.630 -10.218 1.00 21.63 O ATOM 723 CB ASN A 81 -0.255 16.762 -11.957 1.00 21.02 C ATOM 724 CG ASN A 81 -0.751 15.353 -11.672 1.00 20.97 C ATOM 725 OD1 ASN A 81 -0.493 14.798 -10.610 1.00 20.88 O ATOM 726 ND2 ASN A 81 -1.467 14.773 -12.619 1.00 21.20 N ATOM 727 HD22 ASN A 81 -1.663 15.279 -13.506 1.00 0.00 H ATOM 728 HD21 ASN A 81 -1.834 13.810 -12.477 1.00 0.00 H ATOM 729 H ASN A 81 2.284 15.087 -12.511 1.00 0.00 H ATOM 730 N LYS A 82 1.292 17.389 -9.487 1.00 22.45 N ATOM 731 CA LYS A 82 1.689 17.230 -8.085 1.00 23.11 C ATOM 732 C LYS A 82 1.180 15.949 -7.434 1.00 22.07 C ATOM 733 O LYS A 82 1.846 15.403 -6.559 1.00 21.83 O ATOM 734 CB LYS A 82 1.286 18.449 -7.234 1.00 24.49 C ATOM 735 CG LYS A 82 2.439 19.406 -6.983 1.00 26.41 C ATOM 736 CD LYS A 82 2.831 20.183 -8.237 1.00 27.83 C ATOM 737 CE LYS A 82 4.316 20.071 -8.572 1.00 28.80 C ATOM 738 NZ LYS A 82 5.257 20.472 -7.485 1.00 29.63 N ATOM 739 HZ1 LYS A 82 5.089 21.467 -7.232 1.00 0.00 H ATOM 740 HZ2 LYS A 82 5.099 19.870 -6.652 1.00 0.00 H ATOM 741 HZ3 LYS A 82 6.236 20.358 -7.816 1.00 0.00 H ATOM 742 H LYS A 82 0.635 18.153 -9.744 1.00 0.00 H ATOM 743 N CYS A 83 0.012 15.469 -7.856 1.00 20.96 N ATOM 744 CA CYS A 83 -0.534 14.232 -7.296 1.00 20.50 C ATOM 745 C CYS A 83 0.364 13.048 -7.633 1.00 20.34 C ATOM 746 O CYS A 83 0.694 12.262 -6.756 1.00 19.89 O ATOM 747 CB CYS A 83 -1.976 13.991 -7.746 1.00 20.46 C ATOM 748 SG CYS A 83 -3.168 15.073 -6.919 1.00 20.46 S ATOM 749 H CYS A 83 -0.518 15.979 -8.592 1.00 0.00 H ATOM 750 N GLN A 84 0.797 12.956 -8.887 1.00 20.36 N ATOM 751 CA GLN A 84 1.729 11.903 -9.301 1.00 20.59 C ATOM 752 C GLN A 84 3.030 11.932 -8.509 1.00 20.89 C ATOM 753 O GLN A 84 3.538 10.875 -8.124 1.00 20.34 O ATOM 754 CB GLN A 84 2.014 11.989 -10.798 1.00 20.56 C ATOM 755 CG GLN A 84 0.832 11.549 -11.643 1.00 20.52 C ATOM 756 CD GLN A 84 1.021 11.802 -13.126 1.00 20.57 C ATOM 757 OE1 GLN A 84 2.125 12.101 -13.590 1.00 20.65 O ATOM 758 NE2 GLN A 84 -0.066 11.682 -13.883 1.00 20.55 N ATOM 759 HE22 GLN A 84 -0.976 11.428 -13.449 1.00 0.00 H ATOM 760 HE21 GLN A 84 -0.006 11.842 -14.909 1.00 0.00 H ATOM 761 H GLN A 84 0.467 13.647 -9.590 1.00 0.00 H ATOM 762 N GLU A 85 3.558 13.127 -8.245 1.00 21.66 N ATOM 763 CA GLU A 85 4.779 13.232 -7.445 1.00 22.28 C ATOM 764 C GLU A 85 4.520 12.853 -5.972 1.00 21.01 C ATOM 765 O GLU A 85 5.286 12.074 -5.421 1.00 20.12 O ATOM 766 CB GLU A 85 5.529 14.566 -7.656 1.00 24.18 C ATOM 767 CG GLU A 85 5.029 15.806 -6.939 1.00 25.96 C ATOM 768 CD GLU A 85 5.830 17.054 -7.308 1.00 27.59 C ATOM 769 OE1 GLU A 85 6.066 17.893 -6.410 1.00 28.99 O ATOM 770 OE2 GLU A 85 6.230 17.202 -8.490 1.00 28.78 O ATOM 771 H GLU A 85 3.101 13.987 -8.609 1.00 0.00 H ATOM 772 N LEU A 86 3.419 13.321 -5.374 1.00 20.40 N ATOM 773 CA LEU A 86 3.085 12.951 -3.990 1.00 20.04 C ATOM 774 C LEU A 86 2.877 11.442 -3.821 1.00 19.65 C ATOM 775 O LEU A 86 3.375 10.849 -2.861 1.00 19.06 O ATOM 776 CB LEU A 86 1.847 13.700 -3.500 1.00 20.28 C ATOM 777 CG LEU A 86 1.495 13.481 -2.023 1.00 20.42 C ATOM 778 CD1 LEU A 86 2.717 13.617 -1.124 1.00 20.46 C ATOM 779 CD2 LEU A 86 0.419 14.465 -1.610 1.00 20.54 C ATOM 780 H LEU A 86 2.787 13.959 -5.898 1.00 0.00 H ATOM 781 N LEU A 87 2.147 10.826 -4.749 1.00 18.80 N ATOM 782 CA LEU A 87 1.874 9.385 -4.675 1.00 18.67 C ATOM 783 C LEU A 87 3.132 8.541 -4.774 1.00 18.29 C ATOM 784 O LEU A 87 3.330 7.619 -3.979 1.00 17.65 O ATOM 785 CB LEU A 87 0.886 8.950 -5.756 1.00 18.68 C ATOM 786 CG LEU A 87 -0.504 9.597 -5.758 1.00 18.88 C ATOM 787 CD1 LEU A 87 -1.449 8.739 -6.573 1.00 18.82 C ATOM 788 CD2 LEU A 87 -1.053 9.859 -4.364 1.00 18.99 C ATOM 789 H LEU A 87 1.762 11.377 -5.543 1.00 0.00 H ATOM 790 N CYS A 88 3.986 8.870 -5.739 1.00 18.28 N ATOM 791 CA CYS A 88 5.248 8.156 -5.901 1.00 18.21 C ATOM 792 C CYS A 88 6.160 8.321 -4.679 1.00 18.51 C ATOM 793 O CYS A 88 6.819 7.365 -4.273 1.00 17.80 O ATOM 794 CB CYS A 88 5.958 8.581 -7.184 1.00 18.00 C ATOM 795 SG CYS A 88 7.334 7.487 -7.597 1.00 17.80 S ATOM 796 H CYS A 88 3.751 9.648 -6.388 1.00 0.00 H ATOM 797 N LYS A 89 6.175 9.517 -4.089 1.00 19.22 N ATOM 798 CA LYS A 89 6.900 9.757 -2.832 1.00 19.70 C ATOM 799 C LYS A 89 6.394 8.874 -1.688 1.00 18.98 C ATOM 800 O LYS A 89 7.194 8.304 -0.947 1.00 18.33 O ATOM 801 CB LYS A 89 6.835 11.235 -2.429 1.00 21.02 C ATOM 802 CG LYS A 89 7.683 12.135 -3.312 1.00 22.37 C ATOM 803 CD LYS A 89 7.934 13.506 -2.698 1.00 23.71 C ATOM 804 CE LYS A 89 8.237 14.554 -3.768 1.00 24.73 C ATOM 805 NZ LYS A 89 9.447 15.364 -3.457 1.00 25.44 N ATOM 806 HZ1 LYS A 89 9.307 15.862 -2.555 1.00 0.00 H ATOM 807 HZ2 LYS A 89 10.273 14.737 -3.383 1.00 0.00 H ATOM 808 HZ3 LYS A 89 9.603 16.057 -4.216 1.00 0.00 H ATOM 809 H LYS A 89 5.658 10.304 -4.531 1.00 0.00 H ATOM 810 N CYS A 90 5.075 8.751 -1.559 1.00 18.54 N ATOM 811 CA CYS A 90 4.473 7.858 -0.559 1.00 18.46 C ATOM 812 C CYS A 90 4.910 6.403 -0.756 1.00 18.10 C ATOM 813 O CYS A 90 5.335 5.747 0.194 1.00 17.69 O ATOM 814 CB CYS A 90 2.941 7.940 -0.589 1.00 18.80 C ATOM 815 SG CYS A 90 2.205 9.488 -0.007 1.00 19.23 S ATOM 816 H CYS A 90 4.453 9.303 -2.184 1.00 0.00 H ATOM 817 N ASP A 91 4.817 5.915 -1.990 1.00 17.72 N ATOM 818 CA ASP A 91 5.142 4.516 -2.300 1.00 17.59 C ATOM 819 C ASP A 91 6.646 4.230 -2.248 1.00 17.65 C ATOM 820 O ASP A 91 7.073 3.184 -1.746 1.00 17.53 O ATOM 821 CB ASP A 91 4.581 4.129 -3.666 1.00 17.40 C ATOM 822 CG ASP A 91 3.054 4.223 -3.735 1.00 17.53 C ATOM 823 OD1 ASP A 91 2.380 4.203 -2.682 1.00 17.26 O ATOM 824 OD2 ASP A 91 2.527 4.314 -4.863 1.00 17.55 O ATOM 825 H ASP A 91 4.505 6.543 -2.758 1.00 0.00 H ATOM 826 N GLN A 92 7.438 5.155 -2.783 1.00 17.65 N ATOM 827 CA GLN A 92 8.895 5.116 -2.647 1.00 17.75 C ATOM 828 C GLN A 92 9.303 5.003 -1.175 1.00 17.91 C ATOM 829 O GLN A 92 10.164 4.189 -0.822 1.00 17.42 O ATOM 830 CB GLN A 92 9.497 6.373 -3.273 1.00 17.87 C ATOM 831 CG GLN A 92 11.007 6.507 -3.203 1.00 17.94 C ATOM 832 CD GLN A 92 11.461 7.809 -3.826 1.00 17.92 C ATOM 833 OE1 GLN A 92 11.144 8.883 -3.317 1.00 18.77 O ATOM 834 NE2 GLN A 92 12.185 7.730 -4.937 1.00 17.83 N ATOM 835 HE22 GLN A 92 12.430 6.800 -5.333 1.00 0.00 H ATOM 836 HE21 GLN A 92 12.507 8.598 -5.411 1.00 0.00 H ATOM 837 H GLN A 92 7.006 5.935 -3.318 1.00 0.00 H ATOM 838 N GLU A 93 8.663 5.808 -0.326 1.00 18.10 N ATOM 839 CA GLU A 93 8.956 5.823 1.110 1.00 18.60 C ATOM 840 C GLU A 93 8.670 4.470 1.771 1.00 17.89 C ATOM 841 O GLU A 93 9.536 3.927 2.460 1.00 17.55 O ATOM 842 CB GLU A 93 8.189 6.954 1.823 1.00 19.82 C ATOM 843 CG GLU A 93 8.378 6.999 3.338 1.00 20.93 C ATOM 844 CD GLU A 93 7.678 8.180 3.999 1.00 22.27 C ATOM 845 OE1 GLU A 93 6.491 8.440 3.693 1.00 23.12 O ATOM 846 OE2 GLU A 93 8.315 8.850 4.843 1.00 23.14 O ATOM 847 H GLU A 93 7.931 6.447 -0.696 1.00 0.00 H ATOM 848 N ILE A 94 7.470 3.924 1.561 1.00 17.35 N ATOM 849 CA ILE A 94 7.118 2.630 2.177 1.00 16.90 C ATOM 850 C ILE A 94 7.987 1.488 1.621 1.00 16.82 C ATOM 851 O ILE A 94 8.377 0.587 2.369 1.00 16.27 O ATOM 852 CB ILE A 94 5.602 2.282 2.094 1.00 16.79 C ATOM 853 CG1 ILE A 94 5.259 1.224 3.168 1.00 16.66 C ATOM 854 CG2 ILE A 94 5.187 1.877 0.680 1.00 16.74 C ATOM 855 CD1 ILE A 94 3.960 0.465 2.973 1.00 16.76 C ATOM 856 H ILE A 94 6.778 4.414 0.959 1.00 0.00 H ATOM 857 N ALA A 95 8.287 1.540 0.324 1.00 16.59 N ATOM 858 CA ALA A 95 9.150 0.545 -0.322 1.00 16.90 C ATOM 859 C ALA A 95 10.525 0.476 0.348 1.00 17.34 C ATOM 860 O ALA A 95 11.000 -0.605 0.702 1.00 17.61 O ATOM 861 CB ALA A 95 9.296 0.859 -1.799 1.00 16.58 C ATOM 862 H ALA A 95 7.896 2.313 -0.251 1.00 0.00 H ATOM 863 N ASN A 96 11.144 1.641 0.527 1.00 17.94 N ATOM 864 CA ASN A 96 12.398 1.765 1.285 1.00 18.45 C ATOM 865 C ASN A 96 12.263 1.315 2.735 1.00 18.49 C ATOM 866 O ASN A 96 13.142 0.629 3.255 1.00 18.73 O ATOM 867 CB ASN A 96 12.901 3.210 1.262 1.00 18.86 C ATOM 868 CG ASN A 96 13.333 3.659 -0.120 1.00 19.19 C ATOM 869 OD1 ASN A 96 13.629 2.839 -0.989 1.00 19.67 O ATOM 870 ND2 ASN A 96 13.382 4.969 -0.327 1.00 19.48 N ATOM 871 HD22 ASN A 96 13.123 5.626 0.436 1.00 0.00 H ATOM 872 HD21 ASN A 96 13.679 5.338 -1.253 1.00 0.00 H ATOM 873 H ASN A 96 10.724 2.498 0.114 1.00 0.00 H ATOM 874 N CYS A 97 11.169 1.716 3.377 1.00 18.57 N ATOM 875 CA CYS A 97 10.880 1.333 4.762 1.00 18.61 C ATOM 876 C CYS A 97 10.814 -0.185 4.929 1.00 18.46 C ATOM 877 O CYS A 97 11.495 -0.753 5.789 1.00 18.64 O ATOM 878 CB CYS A 97 9.562 1.969 5.222 1.00 18.73 C ATOM 879 SG CYS A 97 9.262 1.890 7.005 1.00 19.04 S ATOM 880 H CYS A 97 10.492 2.326 2.876 1.00 0.00 H ATOM 881 N LEU A 98 10.000 -0.826 4.093 1.00 18.07 N ATOM 882 CA LEU A 98 9.781 -2.277 4.155 1.00 18.02 C ATOM 883 C LEU A 98 11.002 -3.111 3.750 1.00 18.56 C ATOM 884 O LEU A 98 11.246 -4.170 4.326 1.00 18.00 O ATOM 885 CB LEU A 98 8.574 -2.670 3.297 1.00 17.72 C ATOM 886 CG LEU A 98 7.212 -2.156 3.773 1.00 17.47 C ATOM 887 CD1 LEU A 98 6.166 -2.329 2.685 1.00 17.43 C ATOM 888 CD2 LEU A 98 6.767 -2.857 5.048 1.00 17.48 C ATOM 889 H LEU A 98 9.499 -0.277 3.366 1.00 0.00 H ATOM 890 N ALA A 99 11.764 -2.628 2.772 1.00 19.45 N ATOM 891 CA ALA A 99 13.012 -3.280 2.345 1.00 20.38 C ATOM 892 C ALA A 99 14.044 -3.457 3.467 1.00 21.59 C ATOM 893 O ALA A 99 14.868 -4.366 3.405 1.00 21.72 O ATOM 894 CB ALA A 99 13.632 -2.510 1.195 1.00 20.21 C ATOM 895 H ALA A 99 11.466 -1.756 2.291 1.00 0.00 H ATOM 896 N GLN A 100 13.986 -2.590 4.479 1.00 23.46 N ATOM 897 CA GLN A 100 14.867 -2.649 5.647 1.00 25.38 C ATOM 898 C GLN A 100 14.320 -3.467 6.832 1.00 26.22 C ATOM 899 O GLN A 100 14.878 -3.388 7.930 1.00 26.92 O ATOM 900 CB GLN A 100 15.152 -1.221 6.131 1.00 26.48 C ATOM 901 CG GLN A 100 15.883 -0.348 5.128 1.00 27.60 C ATOM 902 CD GLN A 100 15.954 1.104 5.564 1.00 28.63 C ATOM 903 OE1 GLN A 100 15.462 1.994 4.866 1.00 30.14 O ATOM 904 NE2 GLN A 100 16.555 1.352 6.725 1.00 28.93 N ATOM 905 HE22 GLN A 100 16.956 0.570 7.281 1.00 0.00 H ATOM 906 HE21 GLN A 100 16.624 2.328 7.077 1.00 0.00 H ATOM 907 H GLN A 100 13.276 -1.831 4.436 1.00 0.00 H ATOM 908 N THR A 101 13.257 -4.250 6.625 1.00 26.84 N ATOM 909 CA THR A 101 12.586 -4.962 7.725 1.00 27.60 C ATOM 910 C THR A 101 12.704 -6.479 7.655 1.00 28.20 C ATOM 911 O THR A 101 12.811 -7.067 6.576 1.00 28.34 O ATOM 912 CB THR A 101 11.078 -4.646 7.794 1.00 27.87 C ATOM 913 OG1 THR A 101 10.445 -5.016 6.562 1.00 28.32 O ATOM 914 CG2 THR A 101 10.842 -3.175 8.076 1.00 27.66 C ATOM 915 HG1 THR A 101 10.852 -4.507 5.817 1.00 0.00 H ATOM 916 H THR A 101 12.893 -4.360 5.657 1.00 0.00 H ATOM 917 N GLU A 102 12.650 -7.091 8.836 1.00 28.92 N ATOM 918 CA GLU A 102 12.529 -8.537 8.990 1.00 29.38 C ATOM 919 C GLU A 102 11.043 -8.871 9.034 1.00 27.82 C ATOM 920 O GLU A 102 10.268 -8.153 9.670 1.00 27.83 O ATOM 921 CB GLU A 102 13.185 -9.007 10.296 1.00 30.96 C ATOM 922 CG GLU A 102 14.608 -8.517 10.538 1.00 32.67 C ATOM 923 CD GLU A 102 15.670 -9.327 9.819 1.00 34.21 C ATOM 924 OE1 GLU A 102 15.374 -9.943 8.770 1.00 36.52 O ATOM 925 OE2 GLU A 102 16.819 -9.336 10.306 1.00 35.02 O ATOM 926 H GLU A 102 12.697 -6.507 9.695 1.00 0.00 H ATOM 927 N TYR A 103 10.654 -9.958 8.370 1.00 26.21 N ATOM 928 CA TYR A 103 9.257 -10.404 8.341 1.00 25.30 C ATOM 929 C TYR A 103 8.949 -11.265 9.562 1.00 24.39 C ATOM 930 O TYR A 103 9.680 -12.214 9.848 1.00 23.57 O ATOM 931 CB TYR A 103 8.973 -11.208 7.066 1.00 25.23 C ATOM 932 CG TYR A 103 7.507 -11.279 6.678 1.00 25.08 C ATOM 933 CD1 TYR A 103 6.855 -10.164 6.144 1.00 25.00 C ATOM 934 CD2 TYR A 103 6.772 -12.464 6.821 1.00 25.08 C ATOM 935 CE1 TYR A 103 5.518 -10.220 5.773 1.00 24.73 C ATOM 936 CE2 TYR A 103 5.432 -12.530 6.448 1.00 24.80 C ATOM 937 CZ TYR A 103 4.809 -11.406 5.925 1.00 24.73 C ATOM 938 OH TYR A 103 3.485 -11.462 5.555 1.00 24.43 O ATOM 939 HH TYR A 103 3.204 -10.580 5.205 1.00 0.00 H ATOM 940 H TYR A 103 11.367 -10.511 7.853 1.00 0.00 H ATOM 941 N ASN A 104 7.880 -10.914 10.279 1.00 23.61 N ATOM 942 CA ASN A 104 7.354 -11.734 11.373 1.00 23.26 C ATOM 943 C ASN A 104 6.076 -12.413 10.891 1.00 22.70 C ATOM 944 O ASN A 104 5.009 -11.793 10.850 1.00 21.71 O ATOM 945 CB ASN A 104 7.084 -10.886 12.616 1.00 23.45 C ATOM 946 CG ASN A 104 8.357 -10.339 13.237 1.00 23.69 C ATOM 947 OD1 ASN A 104 9.283 -11.090 13.540 1.00 23.84 O ATOM 948 ND2 ASN A 104 8.409 -9.025 13.438 1.00 23.91 N ATOM 949 HD22 ASN A 104 7.604 -8.425 13.167 1.00 0.00 H ATOM 950 HD21 ASN A 104 9.255 -8.597 13.866 1.00 0.00 H ATOM 951 H ASN A 104 7.400 -10.020 10.052 1.00 0.00 H ATOM 952 N LEU A 105 6.213 -13.687 10.521 1.00 22.80 N ATOM 953 CA LEU A 105 5.132 -14.487 9.919 1.00 23.25 C ATOM 954 C LEU A 105 3.852 -14.489 10.767 1.00 22.76 C ATOM 955 O LEU A 105 2.751 -14.445 10.227 1.00 22.64 O ATOM 956 CB LEU A 105 5.597 -15.940 9.680 1.00 23.81 C ATOM 957 CG LEU A 105 5.090 -16.768 8.478 1.00 24.62 C ATOM 958 CD1 LEU A 105 4.954 -18.236 8.875 1.00 24.69 C ATOM 959 CD2 LEU A 105 3.784 -16.285 7.857 1.00 24.85 C ATOM 960 H LEU A 105 7.137 -14.142 10.666 1.00 0.00 H ATOM 961 N LYS A 106 4.015 -14.498 12.090 1.00 22.37 N ATOM 962 CA LYS A 106 2.895 -14.514 13.039 1.00 22.29 C ATOM 963 C LYS A 106 1.890 -13.354 12.905 1.00 22.19 C ATOM 964 O LYS A 106 0.749 -13.482 13.352 1.00 21.96 O ATOM 965 CB LYS A 106 3.435 -14.585 14.471 1.00 22.36 C ATOM 966 CG LYS A 106 4.046 -13.290 14.977 1.00 22.58 C ATOM 967 CD LYS A 106 5.004 -13.528 16.130 1.00 22.83 C ATOM 968 CE LYS A 106 5.315 -12.230 16.852 1.00 23.05 C ATOM 969 NZ LYS A 106 6.184 -12.441 18.038 1.00 23.22 N ATOM 970 HZ1 LYS A 106 5.706 -13.077 18.708 1.00 0.00 H ATOM 971 HZ2 LYS A 106 7.084 -12.866 17.736 1.00 0.00 H ATOM 972 HZ3 LYS A 106 6.369 -11.527 18.498 1.00 0.00 H ATOM 973 H LYS A 106 4.984 -14.493 12.469 1.00 0.00 H ATOM 974 N TYR A 107 2.316 -12.239 12.304 1.00 21.90 N ATOM 975 CA TYR A 107 1.432 -11.092 12.038 1.00 22.07 C ATOM 976 C TYR A 107 0.693 -11.127 10.696 1.00 21.84 C ATOM 977 O TYR A 107 -0.199 -10.308 10.471 1.00 21.34 O ATOM 978 CB TYR A 107 2.204 -9.775 12.195 1.00 22.28 C ATOM 979 CG TYR A 107 2.770 -9.574 13.587 1.00 22.23 C ATOM 980 CD1 TYR A 107 1.981 -9.778 14.724 1.00 22.62 C ATOM 981 CD2 TYR A 107 4.093 -9.176 13.776 1.00 22.48 C ATOM 982 CE1 TYR A 107 2.494 -9.602 16.001 1.00 22.55 C ATOM 983 CE2 TYR A 107 4.615 -8.993 15.052 1.00 22.44 C ATOM 984 CZ TYR A 107 3.813 -9.210 16.159 1.00 22.48 C ATOM 985 OH TYR A 107 4.317 -9.034 17.424 1.00 22.37 O ATOM 986 HH TYR A 107 3.611 -9.231 18.090 1.00 0.00 H ATOM 987 H TYR A 107 3.312 -12.179 12.012 1.00 0.00 H ATOM 988 N LEU A 108 1.046 -12.059 9.813 1.00 21.95 N ATOM 989 CA LEU A 108 0.260 -12.299 8.601 1.00 22.35 C ATOM 990 C LEU A 108 -1.121 -12.849 8.979 1.00 22.84 C ATOM 991 O LEU A 108 -1.217 -13.841 9.695 1.00 22.34 O ATOM 992 CB LEU A 108 0.984 -13.278 7.670 1.00 22.52 C ATOM 993 CG LEU A 108 0.273 -13.684 6.372 1.00 22.63 C ATOM 994 CD1 LEU A 108 -0.015 -12.485 5.483 1.00 22.70 C ATOM 995 CD2 LEU A 108 1.113 -14.705 5.623 1.00 23.10 C ATOM 996 H LEU A 108 1.898 -12.629 9.988 1.00 0.00 H ATOM 997 N PHE A 109 -2.173 -12.195 8.483 1.00 23.67 N ATOM 998 CA PHE A 109 -3.568 -12.488 8.862 1.00 24.81 C ATOM 999 C PHE A 109 -3.794 -12.412 10.379 1.00 25.28 C ATOM 1000 O PHE A 109 -4.445 -13.274 10.978 1.00 24.60 O ATOM 1001 CB PHE A 109 -4.036 -13.841 8.298 1.00 25.59 C ATOM 1002 CG PHE A 109 -3.931 -13.954 6.800 1.00 26.70 C ATOM 1003 CD1 PHE A 109 -4.396 -12.936 5.965 1.00 27.43 C ATOM 1004 CD2 PHE A 109 -3.397 -15.101 6.214 1.00 27.59 C ATOM 1005 CE1 PHE A 109 -4.308 -13.050 4.586 1.00 27.86 C ATOM 1006 CE2 PHE A 109 -3.308 -15.219 4.834 1.00 28.04 C ATOM 1007 CZ PHE A 109 -3.767 -14.193 4.019 1.00 28.32 C ATOM 1008 H PHE A 109 -2.000 -11.438 7.792 1.00 0.00 H ATOM 1009 N TYR A 110 -3.254 -11.352 10.976 1.00 25.88 N ATOM 1010 CA TYR A 110 -3.399 -11.073 12.400 1.00 26.82 C ATOM 1011 C TYR A 110 -4.861 -10.751 12.715 1.00 27.02 C ATOM 1012 O TYR A 110 -5.522 -10.094 11.906 1.00 26.76 O ATOM 1013 CB TYR A 110 -2.511 -9.884 12.771 1.00 27.52 C ATOM 1014 CG TYR A 110 -2.242 -9.725 14.247 1.00 28.35 C ATOM 1015 CD1 TYR A 110 -1.470 -10.659 14.937 1.00 29.02 C ATOM 1016 CD2 TYR A 110 -2.738 -8.630 14.954 1.00 29.19 C ATOM 1017 CE1 TYR A 110 -1.210 -10.513 16.293 1.00 29.76 C ATOM 1018 CE2 TYR A 110 -2.485 -8.476 16.309 1.00 29.68 C ATOM 1019 CZ TYR A 110 -1.722 -9.419 16.973 1.00 30.05 C ATOM 1020 OH TYR A 110 -1.468 -9.263 18.316 1.00 32.39 O ATOM 1021 HH TYR A 110 -0.913 -10.018 18.636 1.00 0.00 H ATOM 1022 H TYR A 110 -2.700 -10.689 10.397 1.00 0.00 H ATOM 1023 N PRO A 111 -5.381 -11.224 13.873 1.00 27.38 N ATOM 1024 CA PRO A 111 -6.788 -10.943 14.171 1.00 27.50 C ATOM 1025 C PRO A 111 -7.040 -9.461 14.450 1.00 28.03 C ATOM 1026 O PRO A 111 -6.347 -8.856 15.273 1.00 27.51 O ATOM 1027 CB PRO A 111 -7.076 -11.798 15.413 1.00 27.39 C ATOM 1028 CG PRO A 111 -5.755 -12.058 16.027 1.00 27.38 C ATOM 1029 CD PRO A 111 -4.772 -12.097 14.895 1.00 27.34 C ATOM 1030 N GLN A 112 -8.020 -8.898 13.743 1.00 28.81 N ATOM 1031 CA GLN A 112 -8.420 -7.498 13.897 1.00 29.65 C ATOM 1032 C GLN A 112 -8.903 -7.178 15.318 1.00 28.57 C ATOM 1033 O GLN A 112 -8.723 -6.053 15.787 1.00 28.03 O ATOM 1034 CB GLN A 112 -9.516 -7.151 12.882 1.00 31.56 C ATOM 1035 CG GLN A 112 -9.845 -5.665 12.762 1.00 33.22 C ATOM 1036 CD GLN A 112 -11.177 -5.416 12.073 1.00 34.60 C ATOM 1037 OE1 GLN A 112 -12.160 -5.045 12.718 1.00 35.72 O ATOM 1038 NE2 GLN A 112 -11.221 -5.628 10.763 1.00 35.05 N ATOM 1039 HE22 GLN A 112 -10.367 -5.941 10.258 1.00 0.00 H ATOM 1040 HE21 GLN A 112 -12.109 -5.481 10.242 1.00 0.00 H ATOM 1041 H GLN A 112 -8.526 -9.483 13.047 1.00 0.00 H ATOM 1042 N PHE A 113 -9.497 -8.158 16.003 1.00 27.50 N ATOM 1043 CA PHE A 113 -9.944 -7.965 17.394 1.00 27.19 C ATOM 1044 C PHE A 113 -8.822 -7.716 18.419 1.00 26.86 C ATOM 1045 O PHE A 113 -9.102 -7.252 19.526 1.00 26.96 O ATOM 1046 CB PHE A 113 -10.897 -9.092 17.857 1.00 27.06 C ATOM 1047 CG PHE A 113 -10.252 -10.450 18.015 1.00 26.87 C ATOM 1048 CD1 PHE A 113 -9.530 -10.769 19.166 1.00 26.72 C ATOM 1049 CD2 PHE A 113 -10.416 -11.433 17.041 1.00 26.78 C ATOM 1050 CE1 PHE A 113 -8.952 -12.022 19.321 1.00 26.79 C ATOM 1051 CE2 PHE A 113 -9.844 -12.691 17.196 1.00 26.93 C ATOM 1052 CZ PHE A 113 -9.111 -12.985 18.335 1.00 26.56 C ATOM 1053 H PHE A 113 -9.648 -9.079 15.544 1.00 0.00 H ATOM 1054 N LEU A 114 -7.573 -8.029 18.064 1.00 26.31 N ATOM 1055 CA LEU A 114 -6.406 -7.655 18.884 1.00 26.09 C ATOM 1056 C LEU A 114 -5.846 -6.253 18.587 1.00 25.81 C ATOM 1057 O LEU A 114 -4.952 -5.791 19.296 1.00 26.37 O ATOM 1058 CB LEU A 114 -5.288 -8.702 18.748 1.00 26.12 C ATOM 1059 CG LEU A 114 -5.519 -10.108 19.328 1.00 26.33 C ATOM 1060 CD1 LEU A 114 -4.244 -10.926 19.199 1.00 26.40 C ATOM 1061 CD2 LEU A 114 -5.964 -10.091 20.784 1.00 26.41 C ATOM 1062 H LEU A 114 -7.418 -8.554 17.180 1.00 0.00 H ATOM 1063 N CYS A 115 -6.370 -5.584 17.561 1.00 25.08 N ATOM 1064 CA CYS A 115 -5.953 -4.229 17.201 1.00 24.76 C ATOM 1065 C CYS A 115 -6.843 -3.187 17.882 1.00 25.71 C ATOM 1066 O CYS A 115 -8.068 -3.229 17.753 1.00 25.32 O ATOM 1067 CB CYS A 115 -6.006 -4.048 15.687 1.00 23.98 C ATOM 1068 SG CYS A 115 -4.873 -5.133 14.790 1.00 22.94 S ATOM 1069 H CYS A 115 -7.108 -6.045 16.991 1.00 0.00 H ATOM 1070 N GLU A 116 -6.208 -2.236 18.565 1.00 27.07 N ATOM 1071 CA GLU A 116 -6.901 -1.268 19.422 1.00 28.39 C ATOM 1072 C GLU A 116 -7.723 -0.272 18.589 1.00 29.62 C ATOM 1073 O GLU A 116 -7.396 -0.033 17.423 1.00 29.56 O ATOM 1074 CB GLU A 116 -5.898 -0.505 20.301 1.00 28.59 C ATOM 1075 CG GLU A 116 -5.144 -1.363 21.317 1.00 28.85 C ATOM 1076 CD GLU A 116 -3.893 -2.045 20.772 1.00 29.26 C ATOM 1077 OE1 GLU A 116 -3.621 -1.973 19.551 1.00 29.93 O ATOM 1078 OE2 GLU A 116 -3.177 -2.678 21.573 1.00 29.48 O ATOM 1079 H GLU A 116 -5.173 -2.177 18.487 1.00 0.00 H ATOM 1080 N PRO A 117 -8.801 0.302 19.170 1.00 31.51 N ATOM 1081 CA PRO A 117 -9.617 1.266 18.409 1.00 32.12 C ATOM 1082 C PRO A 117 -8.857 2.501 17.912 1.00 32.79 C ATOM 1083 O PRO A 117 -9.085 2.941 16.782 1.00 33.25 O ATOM 1084 CB PRO A 117 -10.708 1.683 19.407 1.00 32.15 C ATOM 1085 CG PRO A 117 -10.758 0.593 20.414 1.00 31.96 C ATOM 1086 CD PRO A 117 -9.371 0.037 20.505 1.00 31.66 C ATOM 1087 N ASP A 118 -7.970 3.044 18.744 1.00 33.93 N ATOM 1088 CA ASP A 118 -7.208 4.249 18.393 1.00 34.82 C ATOM 1089 C ASP A 118 -5.826 3.893 17.854 1.00 34.56 C ATOM 1090 O ASP A 118 -5.306 2.805 18.108 1.00 34.46 O ATOM 1091 CB ASP A 118 -7.081 5.193 19.597 1.00 35.91 C ATOM 1092 CG ASP A 118 -7.268 6.662 19.216 1.00 36.90 C ATOM 1093 OD1 ASP A 118 -6.738 7.095 18.166 1.00 37.35 O ATOM 1094 OD2 ASP A 118 -7.952 7.387 19.969 1.00 37.88 O ATOM 1095 H ASP A 118 -7.812 2.601 19.671 1.00 0.00 H ATOM 1096 N SER A 119 -5.244 4.841 17.123 1.00 33.94 N ATOM 1097 CA SER A 119 -3.973 4.655 16.418 1.00 33.56 C ATOM 1098 C SER A 119 -2.977 5.754 16.793 1.00 33.49 C ATOM 1099 O SER A 119 -3.382 6.788 17.332 1.00 33.42 O ATOM 1100 CB SER A 119 -4.219 4.693 14.910 1.00 33.49 C ATOM 1101 OG SER A 119 -5.341 3.905 14.559 1.00 33.22 O ATOM 1102 HG SER A 119 -5.478 3.946 13.579 1.00 0.00 H ATOM 1103 H SER A 119 -5.717 5.764 17.048 1.00 0.00 H ATOM 1104 N PRO A 120 -1.670 5.541 16.512 1.00 33.22 N ATOM 1105 CA PRO A 120 -0.728 6.645 16.670 1.00 33.09 C ATOM 1106 C PRO A 120 -0.961 7.741 15.636 1.00 33.27 C ATOM 1107 O PRO A 120 -1.493 7.480 14.553 1.00 31.90 O ATOM 1108 CB PRO A 120 0.641 5.984 16.457 1.00 33.22 C ATOM 1109 CG PRO A 120 0.415 4.543 16.723 1.00 33.23 C ATOM 1110 CD PRO A 120 -0.963 4.285 16.205 1.00 33.10 C ATOM 1111 N LYS A 121 -0.556 8.955 15.985 1.00 34.01 N ATOM 1112 CA LYS A 121 -0.805 10.125 15.158 1.00 34.67 C ATOM 1113 C LYS A 121 0.064 10.146 13.909 1.00 33.83 C ATOM 1114 O LYS A 121 1.162 9.586 13.886 1.00 32.49 O ATOM 1115 CB LYS A 121 -0.589 11.395 15.974 1.00 36.28 C ATOM 1116 CG LYS A 121 -1.618 11.550 17.077 1.00 37.77 C ATOM 1117 CD LYS A 121 -1.479 12.861 17.832 1.00 39.19 C ATOM 1118 CE LYS A 121 -2.456 12.946 19.000 1.00 40.09 C ATOM 1119 NZ LYS A 121 -3.882 12.676 18.640 1.00 40.91 N ATOM 1120 HZ1 LYS A 121 -4.197 13.370 17.932 1.00 0.00 H ATOM 1121 HZ2 LYS A 121 -3.963 11.716 18.247 1.00 0.00 H ATOM 1122 HZ3 LYS A 121 -4.474 12.755 19.491 1.00 0.00 H ATOM 1123 H LYS A 121 -0.042 9.074 16.881 1.00 0.00 H ATOM 1124 N CYS A 122 -0.458 10.791 12.872 1.00 33.88 N ATOM 1125 CA CYS A 122 0.253 10.973 11.615 1.00 34.21 C ATOM 1126 C CYS A 122 1.143 12.207 11.701 1.00 37.83 C ATOM 1127 O CYS A 122 0.760 13.207 12.315 1.00 38.94 O ATOM 1128 CB CYS A 122 -0.746 11.142 10.471 1.00 31.40 C ATOM 1129 SG CYS A 122 -1.710 9.662 10.102 1.00 28.60 S ATOM 1130 H CYS A 122 -1.417 11.183 12.962 1.00 0.00 H ATOM 1131 N ASP A 123 2.327 12.126 11.093 1.00 41.31 N ATOM 1132 CA ASP A 123 3.234 13.278 10.975 1.00 43.89 C ATOM 1133 C ASP A 123 2.587 14.405 10.176 1.00 44.45 C ATOM 1134 O ASP A 123 2.053 15.355 10.747 1.00 46.23 O ATOM 1135 CB ASP A 123 4.555 12.875 10.295 1.00 45.59 C ATOM 1136 CG ASP A 123 5.540 12.207 11.248 1.00 46.89 C ATOM 1137 OD1 ASP A 123 5.132 11.733 12.330 1.00 48.33 O ATOM 1138 OD2 ASP A 123 6.740 12.154 10.903 1.00 48.43 O ATOM 1139 H ASP A 123 2.620 11.214 10.687 1.00 0.00 H TER 1140 ASP A 123 HETATM 1141 CA CA A 1 -3.574 0.256 5.627 1.00 18.16 CA HETATM 1142 O HOH 2 9.479 -6.615 -1.535 1.00 14.61 O HETATM 1143 O HOH 3 9.476 -5.511 1.010 1.00 20.83 O HETATM 1144 O HOH 4 8.212 -13.140 14.726 1.00 27.65 O HETATM 1145 O HOH 5 4.271 -12.730 -5.751 1.00 34.26 O HETATM 1146 O HOH 6 18.683 -10.699 11.560 1.00 30.95 O HETATM 1147 O HOH 7 -10.687 1.188 -2.681 1.00 47.29 O HETATM 1148 O HOH 8 16.685 -2.443 -1.738 1.00 34.54 O HETATM 1149 O HOH 9 -13.528 3.528 -3.644 1.00 22.06 O HETATM 1150 O HOH 10 22.853 2.379 -11.628 1.00 22.68 O HETATM 1151 O HOH 11 4.049 10.035 -13.625 1.00 28.32 O HETATM 1152 O HOH 12 -2.466 11.522 -12.353 1.00 33.42 O HETATM 1153 O HOH 13 18.462 -1.910 -12.262 1.00 38.90 O HETATM 1154 O HOH 14 0.476 -15.959 10.310 1.00 18.61 O HETATM 1155 O HOH 15 -0.019 5.417 -5.497 1.00 15.25 O HETATM 1156 O HOH 16 -6.952 -5.245 2.551 1.00 37.76 O HETATM 1157 O HOH 17 -5.242 3.461 8.644 1.00 22.03 O HETATM 1158 O HOH 18 16.887 -3.656 -9.998 1.00 29.16 O HETATM 1159 O HOH 19 -9.702 0.380 9.556 1.00 41.78 O HETATM 1160 O HOH 20 -4.203 7.900 -13.706 1.00 24.56 O HETATM 1161 O HOH 21 -1.740 10.550 -17.774 1.00 24.93 O HETATM 1162 O HOH 22 3.028 2.878 -13.961 1.00 21.01 O HETATM 1163 O HOH 23 0.770 9.109 18.485 1.00 35.86 O HETATM 1164 O HOH 24 8.867 -5.988 11.064 1.00 21.46 O HETATM 1165 O HOH 25 4.836 6.211 3.015 1.00 21.87 O HETATM 1166 O HOH 26 -3.276 -8.839 9.615 1.00 19.26 O HETATM 1167 O HOH 27 9.795 -3.017 -0.249 1.00 20.82 O HETATM 1168 O HOH 28 -2.439 1.839 -10.031 1.00 19.61 O HETATM 1169 O HOH 29 -7.848 6.854 -4.135 1.00 25.16 O HETATM 1170 O HOH 30 9.981 6.523 -16.151 1.00 28.46 O HETATM 1171 O HOH 31 5.945 10.182 -11.398 1.00 27.36 O HETATM 1172 O HOH 32 -0.817 0.186 -18.224 1.00 27.20 O HETATM 1173 O HOH 33 0.542 -9.246 20.438 1.00 35.71 O HETATM 1174 O HOH 34 11.855 0.263 -14.367 1.00 30.73 O HETATM 1175 O HOH 35 10.012 9.058 -0.528 1.00 31.58 O HETATM 1176 O HOH 36 9.360 14.266 -12.689 1.00 41.92 O HETATM 1177 O HOH 37 14.095 4.616 4.544 1.00 40.40 O HETATM 1178 O HOH 38 12.678 -5.441 11.318 1.00 29.07 O HETATM 1179 O HOH 39 -9.325 -4.585 5.769 1.00 36.23 O HETATM 1180 O HOH 40 6.194 4.482 5.080 1.00 26.70 O HETATM 1181 O HOH 41 9.930 -5.259 14.223 1.00 31.31 O HETATM 1182 O HOH 42 12.926 -11.651 7.276 1.00 24.10 O HETATM 1183 O HOH 43 -2.526 8.372 19.833 1.00 47.82 O HETATM 1184 O HOH 44 6.721 -15.108 13.436 1.00 20.25 O HETATM 1185 O HOH 45 6.442 -1.251 17.997 1.00 48.11 O HETATM 1186 O HOH 46 15.962 -6.165 -0.524 1.00 34.30 O HETATM 1187 O HOH 47 8.989 -15.224 11.051 1.00 30.70 O HETATM 1188 O HOH 48 -11.112 -2.715 18.682 1.00 42.97 O HETATM 1189 O HOH 49 14.525 0.968 -15.381 1.00 40.95 O HETATM 1190 O HOH 50 3.299 9.389 9.628 1.00 31.78 O HETATM 1191 O HOH 51 -6.802 6.732 1.164 1.00 38.98 O HETATM 1192 O HOH 52 6.676 5.345 9.670 1.00 40.12 O HETATM 1193 O HOH 53 9.954 1.377 10.798 1.00 43.22 O HETATM 1194 O HOH 54 20.515 -4.512 -6.713 1.00 39.41 O HETATM 1195 O HOH 55 7.947 5.840 7.059 1.00 45.07 O HETATM 1196 O HOH 56 2.807 -0.083 -17.818 1.00 38.94 O HETATM 1197 O HOH 57 -6.688 4.497 6.343 1.00 36.73 O HETATM 1198 O HOH 58 0.132 8.600 -20.740 1.00 25.14 O HETATM 1199 O HOH 59 11.835 4.135 6.487 1.00 46.03 O HETATM 1200 O HOH 60 10.608 -3.856 16.230 1.00 36.17 O HETATM 1201 O HOH 61 -13.952 -1.011 12.618 1.00 52.07 O HETATM 1202 O HOH 62 12.676 0.423 9.878 1.00 39.53 O HETATM 1203 O HOH 63 19.533 -2.325 -1.807 1.00 31.84 O HETATM 1204 O HOH 64 8.736 -10.619 21.674 1.00 25.19 O HETATM 1205 O HOH 65 4.805 -24.937 8.991 1.00 29.89 O HETATM 1206 O HOH 66 1.450 -19.786 16.315 1.00 24.10 O HETATM 1207 O HOH 67 -7.780 -17.769 29.028 1.00 13.51 O HETATM 1208 O HOH 68 -10.335 -12.146 27.042 1.00 16.95 O HETATM 1209 O HOH 69 -14.375 -22.213 16.395 1.00 34.11 O HETATM 1210 O HOH 70 -4.902 -8.839 29.066 1.00 30.12 O HETATM 1211 O HOH 71 2.073 -20.003 19.391 1.00 31.31 O HETATM 1212 O HOH 72 8.422 -18.411 16.138 1.00 22.08 O HETATM 1213 O HOH 73 -1.405 -7.565 29.592 1.00 33.32 O HETATM 1214 O HOH 74 -5.448 -7.432 31.836 1.00 39.30 O HETATM 1215 C1 AYN A 75 2.455 -3.531 -0.352 1.00 -0.08 C HETATM 1216 C2 AYN A 75 2.493 -2.686 0.728 1.00 -0.07 C HETATM 1217 C3 AYN A 75 1.296 -2.159 1.246 1.00 -0.01 C HETATM 1218 C9 AYN A 75 1.002 -1.281 2.316 1.00 -0.04 C HETATM 1219 C8 AYN A 75 -0.345 -1.105 2.361 1.00 0.15 C HETATM 1220 C10 AYN A 75 -1.014 -0.252 3.363 1.00 0.23 C HETATM 1221 O11 AYN A 75 -2.057 -0.617 3.874 1.00 -0.39 O HETATM 1222 N12 AYN A 75 -0.465 0.917 3.751 1.00 -0.30 N HETATM 1223 H8 AYN A 75 -0.928 1.486 4.431 1.00 0.18 H HETATM 1224 H9 AYN A 75 0.405 1.215 3.359 1.00 0.18 H HETATM 1225 N7 AYN A 75 -0.937 -1.870 1.357 1.00 -0.20 N HETATM 1226 C13 AYN A 75 -2.300 -1.966 1.021 1.00 0.12 C HETATM 1227 C14 AYN A 75 -2.963 -0.806 0.621 1.00 -0.00 C HETATM 1228 C15 AYN A 75 -4.302 -0.848 0.258 1.00 0.04 C HETATM 1229 C16 AYN A 75 -4.996 -2.058 0.281 1.00 -0.04 C HETATM 1230 C17 AYN A 75 -4.339 -3.225 0.659 1.00 -0.04 C HETATM 1231 C18 AYN A 75 -2.996 -3.183 1.022 1.00 -0.00 C HETATM 1232 H11 AYN A 75 -2.486 -4.096 1.307 1.00 0.08 H HETATM 1233 H10 AYN A 75 -4.874 -4.168 0.671 1.00 0.07 H HETATM 1234 H5 AYN A 75 -6.044 -2.089 0.005 1.00 0.08 H HETATM 1235 C19 AYN A 75 -4.992 0.428 -0.147 1.00 0.37 C HETATM 1236 F20 AYN A 75 -5.914 0.192 -1.171 1.00 -0.22 F HETATM 1237 F21 AYN A 75 -5.657 0.909 0.977 1.00 -0.22 F HETATM 1238 F22 AYN A 75 -4.068 1.386 -0.586 1.00 -0.22 F HETATM 1239 H4 AYN A 75 -2.428 0.136 0.593 1.00 0.08 H HETATM 1240 C4 AYN A 75 0.060 -2.517 0.656 1.00 0.09 C HETATM 1241 C5 AYN A 75 0.050 -3.390 -0.446 1.00 -0.04 C HETATM 1242 C6 AYN A 75 1.241 -3.894 -0.941 1.00 -0.07 C HETATM 1243 H7 AYN A 75 1.232 -4.572 -1.787 1.00 0.06 H HETATM 1244 H6 AYN A 75 -0.890 -3.669 -0.908 1.00 0.06 H HETATM 1245 H3 AYN A 75 1.729 -0.825 2.987 1.00 0.04 H HETATM 1246 H2 AYN A 75 3.443 -2.425 1.181 1.00 0.06 H HETATM 1247 H1 AYN A 75 3.382 -3.923 -0.755 1.00 0.05 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 83 82 626 CONECT 213 212 1068 CONECT 218 217 1141 CONECT 232 231 371 CONECT 237 236 1141 CONECT 251 250 1141 CONECT 364 363 879 CONECT 371 232 370 CONECT 406 405 1141 CONECT 414 413 1129 CONECT 421 420 815 CONECT 505 504 748 CONECT 626 83 625 CONECT 689 688 795 CONECT 748 505 747 CONECT 795 689 794 CONECT 815 421 814 CONECT 879 364 878 CONECT 1068 213 1067 CONECT 1129 414 1128 CONECT 1141 218 237 251 406 CONECT 1215 1216 1242 1247 CONECT 1216 1215 1217 1246 CONECT 1217 1216 1218 1240 CONECT 1218 1217 1219 1245 CONECT 1219 1218 1220 1225 CONECT 1220 1219 1221 1222 CONECT 1221 1220 CONECT 1222 1220 1223 1224 CONECT 1223 1222 CONECT 1224 1222 CONECT 1225 1219 1226 1240 CONECT 1226 1225 1227 1231 CONECT 1227 1226 1228 1239 CONECT 1228 1227 1229 1235 CONECT 1229 1228 1230 1234 CONECT 1230 1229 1231 1233 CONECT 1231 1226 1230 1232 CONECT 1232 1231 CONECT 1233 1230 CONECT 1234 1229 CONECT 1235 1228 1236 1237 1238 CONECT 1236 1235 CONECT 1237 1235 CONECT 1238 1235 CONECT 1239 1227 CONECT 1240 1217 1225 1241 CONECT 1241 1240 1242 1244 CONECT 1242 1215 1241 1243 CONECT 1243 1242 CONECT 1244 1241 CONECT 1245 1218 CONECT 1246 1216 CONECT 1247 1215 MASTER 0 0 0 0 0 0 0 0 1246 1 58 10 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5ow8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4uy1
RCSB PDB
PDBbind
131aa, >4UY1_1|Chains... at 93%
5g3m
RCSB PDB
PDBbind
123aa, >5G3M_1|Chains... at 100%
5owc
RCSB PDB
PDBbind
122aa, >5OWC_1|Chains... at 100%
6g5j
RCSB PDB
PDBbind
165aa, >6G5J_1|Chains... *
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
5ow8
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Group 10 secretory phospholipase A2
Ligand Name
AYN
EC.Number
E.C.3.1.1.4
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
IC50=6.9uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ACS Med Chem Lett Vol. 9: pp. 594-599
Ligand Properties
Formula
C
1
6
H
1
1
F
3
N
2
O
Molecular Weight
304.267
Exact Mass
304.082
No. of atoms
33
No. of bonds
35
Polar Surface Area
48.02
LOGP Value
3.75 (
Computed with XLOGP3
)
4.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
NC(=O)c1cc2c(n1c1cccc(c1)C(F)(F)F)cccc2
InChI String
InChI=1S/C16H11F3N2O/c17-16(18,19)11-5-3-6-12(9-11)21-13-7-2-1-4-10(13)8-14(21)15(20)22/h1-9H,(H2,20,22)
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):
O15496
Entrez Gene ID
NCBI Entrez Gene ID:
8399
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓