Browse entries in the PDBbind-CN Database
HEADER 3V3B_COMPLEX COMPND 3V3B_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 87 GLN GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS SEQRES 2 A 87 LEU LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR SEQRES 3 A 87 MET LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET SEQRES 4 A 87 THR LYS ARG LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL SEQRES 5 A 87 TYR CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL SEQRES 6 A 87 PRO SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR SEQRES 7 A 87 MET ILE TYR ARG ASN LEU VAL VAL VAL HET GLN A 154 249 ATOM 1 N GLN A 24 -6.117 -6.400 -11.892 1.00 27.15 N ATOM 2 CA GLN A 24 -7.488 -6.410 -11.315 1.00 26.76 C ATOM 3 C GLN A 24 -7.435 -5.744 -9.956 1.00 26.29 C ATOM 4 O GLN A 24 -6.378 -5.256 -9.541 1.00 26.76 O ATOM 5 CB GLN A 24 -8.021 -7.838 -11.178 1.00 26.66 C ATOM 6 CG GLN A 24 -8.119 -8.624 -12.467 1.00 27.06 C ATOM 7 CD GLN A 24 -9.394 -8.340 -13.281 1.00 25.66 C ATOM 8 OE1 GLN A 24 -10.363 -7.778 -12.792 1.00 27.37 O ATOM 9 NE2 GLN A 24 -9.385 -8.759 -14.518 1.00 27.11 N ATOM 10 HA GLN A 24 -8.163 -5.870 -11.979 1.00 0.00 H ATOM 11 HB2 GLN A 24 -7.359 -8.380 -10.503 1.00 0.00 H ATOM 12 HB3 GLN A 24 -9.018 -7.784 -10.741 1.00 0.00 H ATOM 13 HG2 GLN A 24 -7.256 -8.377 -13.085 1.00 0.00 H ATOM 14 HG3 GLN A 24 -8.098 -9.686 -12.223 1.00 0.00 H ATOM 15 HE22 GLN A 24 -8.542 -9.233 -14.900 1.00 0.00 H ATOM 16 HE21 GLN A 24 -10.221 -8.618 -15.121 1.00 0.00 H ATOM 17 HN3 GLN A 24 -5.474 -6.921 -11.263 1.00 0.00 H ATOM 18 HN2 GLN A 24 -5.790 -5.418 -11.988 1.00 0.00 H ATOM 19 HN1 GLN A 24 -6.133 -6.854 -12.828 1.00 0.00 H ATOM 20 N GLU A 25 -8.576 -5.704 -9.276 1.00 25.62 N ATOM 21 CA GLU A 25 -8.661 -5.114 -7.951 1.00 25.28 C ATOM 22 C GLU A 25 -9.298 -6.079 -6.966 1.00 24.65 C ATOM 23 O GLU A 25 -10.045 -6.980 -7.350 1.00 24.50 O ATOM 24 CB GLU A 25 -9.441 -3.798 -7.993 1.00 25.51 C ATOM 25 CG GLU A 25 -10.902 -3.922 -8.402 1.00 26.71 C ATOM 26 CD GLU A 25 -11.631 -2.580 -8.412 1.00 27.54 C ATOM 27 OE1 GLU A 25 -12.881 -2.594 -8.427 1.00 28.09 O ATOM 28 OE2 GLU A 25 -10.963 -1.521 -8.408 1.00 27.26 O ATOM 29 HA GLU A 25 -7.647 -4.903 -7.612 1.00 0.00 H ATOM 30 HB2 GLU A 25 -9.406 -3.353 -6.999 1.00 0.00 H ATOM 31 HB3 GLU A 25 -8.947 -3.136 -8.704 1.00 0.00 H ATOM 32 HG2 GLU A 25 -10.948 -4.351 -9.403 1.00 0.00 H ATOM 33 HG3 GLU A 25 -11.405 -4.587 -7.700 1.00 0.00 H ATOM 34 H GLU A 25 -9.433 -6.107 -9.705 1.00 0.00 H ATOM 35 N THR A 26 -8.975 -5.883 -5.695 1.00 23.98 N ATOM 36 CA THR A 26 -9.580 -6.629 -4.600 1.00 23.68 C ATOM 37 C THR A 26 -10.147 -5.572 -3.645 1.00 22.39 C ATOM 38 O THR A 26 -9.414 -4.690 -3.189 1.00 22.34 O ATOM 39 CB THR A 26 -8.530 -7.508 -3.875 1.00 23.89 C ATOM 40 OG1 THR A 26 -7.609 -6.667 -3.184 1.00 27.47 O ATOM 41 CG2 THR A 26 -7.734 -8.342 -4.850 1.00 22.89 C ATOM 42 HA THR A 26 -10.353 -7.307 -4.962 1.00 0.00 H ATOM 43 HB THR A 26 -9.068 -8.165 -3.192 1.00 0.00 H ATOM 44 HG1 THR A 26 -8.098 -6.119 -2.521 1.00 0.00 H ATOM 45 HG23 THR A 26 -8.408 -9.000 -5.398 1.00 0.00 H ATOM 46 HG21 THR A 26 -7.216 -7.686 -5.549 1.00 0.00 H ATOM 47 HG22 THR A 26 -7.005 -8.940 -4.304 1.00 0.00 H ATOM 48 H THR A 26 -8.258 -5.164 -5.470 1.00 0.00 H ATOM 49 N LEU A 27 -11.444 -5.637 -3.368 1.00 20.98 N ATOM 50 CA LEU A 27 -12.085 -4.649 -2.496 1.00 20.33 C ATOM 51 C LEU A 27 -12.063 -5.142 -1.053 1.00 19.23 C ATOM 52 O LEU A 27 -12.223 -6.340 -0.811 1.00 18.82 O ATOM 53 CB LEU A 27 -13.511 -4.352 -2.953 1.00 20.50 C ATOM 54 CG LEU A 27 -13.633 -3.485 -4.219 1.00 21.41 C ATOM 55 CD1 LEU A 27 -13.494 -2.012 -3.886 1.00 22.87 C ATOM 56 CD2 LEU A 27 -12.604 -3.869 -5.239 1.00 22.59 C ATOM 57 HA LEU A 27 -11.525 -3.716 -2.556 1.00 0.00 H ATOM 58 HB2 LEU A 27 -14.007 -5.303 -3.148 1.00 0.00 H ATOM 59 HB3 LEU A 27 -14.024 -3.836 -2.141 1.00 0.00 H ATOM 60 HG LEU A 27 -14.624 -3.661 -4.637 1.00 0.00 H ATOM 61 HD21 LEU A 27 -11.608 -3.733 -4.818 1.00 0.00 H ATOM 62 HD22 LEU A 27 -12.742 -4.914 -5.517 1.00 0.00 H ATOM 63 HD23 LEU A 27 -12.716 -3.239 -6.121 1.00 0.00 H ATOM 64 HD11 LEU A 27 -14.279 -1.723 -3.187 1.00 0.00 H ATOM 65 HD12 LEU A 27 -12.519 -1.834 -3.433 1.00 0.00 H ATOM 66 HD13 LEU A 27 -13.584 -1.424 -4.799 1.00 0.00 H ATOM 67 H LEU A 27 -12.016 -6.403 -3.778 1.00 0.00 H ATOM 68 N VAL A 28 -11.852 -4.221 -0.110 1.00 17.31 N ATOM 69 CA VAL A 28 -11.696 -4.579 1.299 1.00 16.50 C ATOM 70 C VAL A 28 -12.392 -3.589 2.226 1.00 15.60 C ATOM 71 O VAL A 28 -12.536 -2.411 1.888 1.00 15.81 O ATOM 72 CB VAL A 28 -10.196 -4.701 1.712 1.00 15.85 C ATOM 73 CG1 VAL A 28 -9.490 -5.769 0.900 1.00 15.90 C ATOM 74 CG2 VAL A 28 -9.462 -3.360 1.583 1.00 16.83 C ATOM 75 HA VAL A 28 -12.171 -5.554 1.408 1.00 0.00 H ATOM 76 HB VAL A 28 -10.176 -4.995 2.761 1.00 0.00 H ATOM 77 HG11 VAL A 28 -9.977 -6.730 1.065 1.00 0.00 H ATOM 78 HG12 VAL A 28 -9.541 -5.512 -0.158 1.00 0.00 H ATOM 79 HG13 VAL A 28 -8.447 -5.830 1.211 1.00 0.00 H ATOM 80 HG21 VAL A 28 -9.507 -3.020 0.548 1.00 0.00 H ATOM 81 HG22 VAL A 28 -9.938 -2.623 2.230 1.00 0.00 H ATOM 82 HG23 VAL A 28 -8.421 -3.487 1.880 1.00 0.00 H ATOM 83 H VAL A 28 -11.797 -3.220 -0.386 1.00 0.00 H ATOM 84 N ARG A 29 -12.807 -4.085 3.388 1.00 14.86 N ATOM 85 CA ARG A 29 -13.382 -3.283 4.463 1.00 14.86 C ATOM 86 C ARG A 29 -12.488 -3.357 5.721 1.00 15.05 C ATOM 87 O ARG A 29 -12.473 -4.375 6.432 1.00 15.08 O ATOM 88 CB ARG A 29 -14.799 -3.764 4.786 1.00 14.61 C ATOM 89 HA ARG A 29 -13.436 -2.245 4.135 1.00 0.00 H ATOM 90 HB2 ARG A 29 -15.424 -3.670 3.898 1.00 0.00 H ATOM 91 HB3 ARG A 29 -14.765 -4.807 5.099 1.00 0.00 H ATOM 92 H ARG A 29 -12.716 -5.110 3.540 1.00 0.00 H ATOM 93 N PRO A 30 -11.725 -2.285 5.986 1.00 15.25 N ATOM 94 CA PRO A 30 -10.885 -2.262 7.172 1.00 15.18 C ATOM 95 C PRO A 30 -11.673 -2.393 8.466 1.00 15.15 C ATOM 96 O PRO A 30 -12.798 -1.894 8.570 1.00 15.08 O ATOM 97 CB PRO A 30 -10.205 -0.891 7.095 1.00 15.38 C ATOM 98 CG PRO A 30 -10.202 -0.560 5.628 1.00 15.57 C ATOM 99 CD PRO A 30 -11.503 -1.094 5.140 1.00 15.25 C ATOM 100 HA PRO A 30 -10.193 -3.104 7.188 1.00 0.00 H ATOM 101 HD3 PRO A 30 -12.301 -0.364 5.277 1.00 0.00 H ATOM 102 HD2 PRO A 30 -11.441 -1.369 4.087 1.00 0.00 H ATOM 103 HG3 PRO A 30 -9.368 -1.046 5.122 1.00 0.00 H ATOM 104 HG2 PRO A 30 -10.141 0.517 5.473 1.00 0.00 H ATOM 105 HB2 PRO A 30 -10.769 -0.147 7.658 1.00 0.00 H ATOM 106 HB3 PRO A 30 -9.187 -0.942 7.482 1.00 0.00 H ATOM 107 N LYS A 31 -11.079 -3.089 9.433 1.00 14.88 N ATOM 108 CA LYS A 31 -11.584 -3.122 10.804 1.00 14.88 C ATOM 109 C LYS A 31 -11.273 -1.774 11.478 1.00 14.54 C ATOM 110 O LYS A 31 -10.517 -0.983 10.925 1.00 14.99 O ATOM 111 CB LYS A 31 -10.972 -4.311 11.547 1.00 14.86 C ATOM 112 CG LYS A 31 -11.387 -5.648 10.931 1.00 15.52 C ATOM 113 CD LYS A 31 -10.658 -6.856 11.529 1.00 16.36 C ATOM 114 CE LYS A 31 -11.119 -8.143 10.816 1.00 16.79 C ATOM 115 NZ LYS A 31 -10.263 -9.329 11.142 1.00 17.46 N ATOM 116 HA LYS A 31 -12.665 -3.260 10.820 1.00 0.00 H ATOM 117 HB2 LYS A 31 -9.886 -4.228 11.510 1.00 0.00 H ATOM 118 HB3 LYS A 31 -11.302 -4.285 12.586 1.00 0.00 H ATOM 119 HG2 LYS A 31 -12.458 -5.781 11.086 1.00 0.00 H ATOM 120 HG3 LYS A 31 -11.177 -5.614 9.862 1.00 0.00 H ATOM 121 HD2 LYS A 31 -9.583 -6.733 11.397 1.00 0.00 H ATOM 122 HD3 LYS A 31 -10.887 -6.928 12.592 1.00 0.00 H ATOM 123 HE2 LYS A 31 -11.086 -7.975 9.739 1.00 0.00 H ATOM 124 HE3 LYS A 31 -12.144 -8.360 11.117 1.00 0.00 H ATOM 125 HZ1 LYS A 31 -9.283 -9.138 10.850 1.00 0.00 H ATOM 126 HZ2 LYS A 31 -10.293 -9.506 12.166 1.00 0.00 H ATOM 127 HZ3 LYS A 31 -10.621 -10.163 10.635 1.00 0.00 H ATOM 128 H LYS A 31 -10.221 -3.631 9.204 1.00 0.00 H ATOM 129 N PRO A 32 -11.864 -1.500 12.654 1.00 14.64 N ATOM 130 CA PRO A 32 -11.812 -0.153 13.236 1.00 14.59 C ATOM 131 C PRO A 32 -10.430 0.508 13.365 1.00 14.58 C ATOM 132 O PRO A 32 -10.289 1.651 12.958 1.00 14.46 O ATOM 133 CB PRO A 32 -12.453 -0.348 14.613 1.00 14.78 C ATOM 134 CG PRO A 32 -13.459 -1.413 14.377 1.00 15.19 C ATOM 135 CD PRO A 32 -12.800 -2.367 13.402 1.00 14.83 C ATOM 136 HA PRO A 32 -12.318 0.546 12.569 1.00 0.00 H ATOM 137 HD3 PRO A 32 -12.264 -3.156 13.930 1.00 0.00 H ATOM 138 HD2 PRO A 32 -13.537 -2.814 12.734 1.00 0.00 H ATOM 139 HG3 PRO A 32 -14.368 -0.993 13.947 1.00 0.00 H ATOM 140 HG2 PRO A 32 -13.702 -1.924 15.309 1.00 0.00 H ATOM 141 HB2 PRO A 32 -11.712 -0.666 15.347 1.00 0.00 H ATOM 142 HB3 PRO A 32 -12.930 0.570 14.955 1.00 0.00 H ATOM 143 N LEU A 33 -9.415 -0.182 13.896 1.00 14.10 N ATOM 144 CA LEU A 33 -8.120 0.482 14.090 1.00 13.89 C ATOM 145 C LEU A 33 -7.443 0.816 12.735 1.00 14.10 C ATOM 146 O LEU A 33 -6.906 1.911 12.569 1.00 13.81 O ATOM 147 CB LEU A 33 -7.187 -0.322 15.005 1.00 13.81 C ATOM 148 CG LEU A 33 -5.895 0.412 15.397 1.00 14.18 C ATOM 149 CD1 LEU A 33 -6.188 1.744 16.077 1.00 14.46 C ATOM 150 CD2 LEU A 33 -4.973 -0.443 16.274 1.00 13.93 C ATOM 151 HA LEU A 33 -8.321 1.425 14.597 1.00 0.00 H ATOM 152 HB2 LEU A 33 -7.731 -0.566 15.917 1.00 0.00 H ATOM 153 HB3 LEU A 33 -6.913 -1.243 14.489 1.00 0.00 H ATOM 154 HG LEU A 33 -5.367 0.609 14.464 1.00 0.00 H ATOM 155 HD21 LEU A 33 -5.495 -0.715 17.191 1.00 0.00 H ATOM 156 HD22 LEU A 33 -4.694 -1.347 15.732 1.00 0.00 H ATOM 157 HD23 LEU A 33 -4.077 0.126 16.520 1.00 0.00 H ATOM 158 HD11 LEU A 33 -6.753 2.381 15.397 1.00 0.00 H ATOM 159 HD12 LEU A 33 -6.771 1.568 16.981 1.00 0.00 H ATOM 160 HD13 LEU A 33 -5.249 2.231 16.338 1.00 0.00 H ATOM 161 H LEU A 33 -9.542 -1.178 14.168 1.00 0.00 H ATOM 162 N LEU A 34 -7.480 -0.109 11.772 1.00 14.13 N ATOM 163 CA LEU A 34 -6.978 0.180 10.425 1.00 14.44 C ATOM 164 C LEU A 34 -7.727 1.370 9.825 1.00 14.86 C ATOM 165 O LEU A 34 -7.115 2.297 9.301 1.00 15.04 O ATOM 166 CB LEU A 34 -7.082 -1.048 9.506 1.00 14.41 C ATOM 167 CG LEU A 34 -6.557 -0.903 8.067 1.00 14.59 C ATOM 168 CD1 LEU A 34 -5.135 -0.327 8.047 1.00 16.07 C ATOM 169 CD2 LEU A 34 -6.595 -2.231 7.308 1.00 14.10 C ATOM 170 HA LEU A 34 -5.922 0.435 10.509 1.00 0.00 H ATOM 171 HB2 LEU A 34 -6.525 -1.857 9.977 1.00 0.00 H ATOM 172 HB3 LEU A 34 -8.135 -1.322 9.444 1.00 0.00 H ATOM 173 HG LEU A 34 -7.224 -0.205 7.560 1.00 0.00 H ATOM 174 HD21 LEU A 34 -5.974 -2.962 7.826 1.00 0.00 H ATOM 175 HD22 LEU A 34 -7.622 -2.592 7.262 1.00 0.00 H ATOM 176 HD23 LEU A 34 -6.216 -2.081 6.297 1.00 0.00 H ATOM 177 HD11 LEU A 34 -5.136 0.657 8.517 1.00 0.00 H ATOM 178 HD12 LEU A 34 -4.467 -0.992 8.595 1.00 0.00 H ATOM 179 HD13 LEU A 34 -4.795 -0.238 7.015 1.00 0.00 H ATOM 180 H LEU A 34 -7.871 -1.050 11.981 1.00 0.00 H ATOM 181 N LEU A 35 -9.047 1.352 9.916 1.00 15.66 N ATOM 182 CA LEU A 35 -9.859 2.464 9.417 1.00 16.57 C ATOM 183 C LEU A 35 -9.409 3.798 10.039 1.00 16.71 C ATOM 184 O LEU A 35 -9.301 4.809 9.339 1.00 17.24 O ATOM 185 CB LEU A 35 -11.356 2.205 9.656 1.00 16.65 C ATOM 186 CG LEU A 35 -12.359 3.066 8.870 1.00 17.66 C ATOM 187 CD1 LEU A 35 -12.097 3.063 7.359 1.00 18.07 C ATOM 188 CD2 LEU A 35 -13.770 2.599 9.150 1.00 17.67 C ATOM 189 HA LEU A 35 -9.708 2.537 8.340 1.00 0.00 H ATOM 190 HB2 LEU A 35 -11.552 1.163 9.404 1.00 0.00 H ATOM 191 HB3 LEU A 35 -11.550 2.364 10.717 1.00 0.00 H ATOM 192 HG LEU A 35 -12.229 4.093 9.211 1.00 0.00 H ATOM 193 HD21 LEU A 35 -13.874 1.558 8.846 1.00 0.00 H ATOM 194 HD22 LEU A 35 -13.976 2.689 10.216 1.00 0.00 H ATOM 195 HD23 LEU A 35 -14.473 3.215 8.589 1.00 0.00 H ATOM 196 HD11 LEU A 35 -11.099 3.455 7.164 1.00 0.00 H ATOM 197 HD12 LEU A 35 -12.168 2.043 6.981 1.00 0.00 H ATOM 198 HD13 LEU A 35 -12.838 3.689 6.862 1.00 0.00 H ATOM 199 H LEU A 35 -9.517 0.532 10.350 1.00 0.00 H ATOM 200 N LYS A 36 -9.095 3.789 11.330 1.00 16.88 N ATOM 201 CA LYS A 36 -8.617 4.992 12.007 1.00 17.38 C ATOM 202 C LYS A 36 -7.304 5.503 11.421 1.00 17.77 C ATOM 203 O LYS A 36 -7.141 6.710 11.196 1.00 17.66 O ATOM 204 CB LYS A 36 -8.456 4.754 13.517 1.00 17.28 C ATOM 205 CG LYS A 36 -8.031 6.003 14.291 1.00 17.70 C ATOM 206 CD LYS A 36 -7.771 5.715 15.761 1.00 18.22 C ATOM 207 HA LYS A 36 -9.376 5.758 11.846 1.00 0.00 H ATOM 208 HB2 LYS A 36 -9.410 4.409 13.916 1.00 0.00 H ATOM 209 HB3 LYS A 36 -7.701 3.982 13.666 1.00 0.00 H ATOM 210 HG2 LYS A 36 -7.118 6.398 13.845 1.00 0.00 H ATOM 211 HG3 LYS A 36 -8.823 6.748 14.215 1.00 0.00 H ATOM 212 HD2 LYS A 36 -8.680 5.327 16.220 1.00 0.00 H ATOM 213 HD3 LYS A 36 -6.974 4.976 15.850 1.00 0.00 H ATOM 214 H LYS A 36 -9.192 2.906 11.871 1.00 0.00 H ATOM 215 N LEU A 37 -6.375 4.581 11.191 1.00 18.25 N ATOM 216 CA LEU A 37 -5.083 4.890 10.610 1.00 19.01 C ATOM 217 C LEU A 37 -5.244 5.512 9.224 1.00 19.51 C ATOM 218 O LEU A 37 -4.685 6.584 8.946 1.00 19.43 O ATOM 219 CB LEU A 37 -4.246 3.615 10.511 1.00 19.40 C ATOM 220 CG LEU A 37 -2.807 3.707 10.008 1.00 20.33 C ATOM 221 CD1 LEU A 37 -2.005 2.487 10.493 1.00 22.29 C ATOM 222 CD2 LEU A 37 -2.745 3.829 8.480 1.00 21.82 C ATOM 223 HA LEU A 37 -4.578 5.611 11.253 1.00 0.00 H ATOM 224 HB2 LEU A 37 -4.208 3.180 11.510 1.00 0.00 H ATOM 225 HB3 LEU A 37 -4.775 2.937 9.841 1.00 0.00 H ATOM 226 HG LEU A 37 -2.361 4.613 10.419 1.00 0.00 H ATOM 227 HD21 LEU A 37 -3.211 2.954 8.028 1.00 0.00 H ATOM 228 HD22 LEU A 37 -3.276 4.728 8.167 1.00 0.00 H ATOM 229 HD23 LEU A 37 -1.704 3.892 8.164 1.00 0.00 H ATOM 230 HD11 LEU A 37 -2.005 2.464 11.583 1.00 0.00 H ATOM 231 HD12 LEU A 37 -2.464 1.576 10.109 1.00 0.00 H ATOM 232 HD13 LEU A 37 -0.980 2.560 10.130 1.00 0.00 H ATOM 233 H LEU A 37 -6.584 3.593 11.439 1.00 0.00 H ATOM 234 N LEU A 38 -5.996 4.821 8.366 1.00 19.72 N ATOM 235 CA LEU A 38 -6.254 5.269 6.991 1.00 20.44 C ATOM 236 C LEU A 38 -6.793 6.698 6.978 1.00 20.68 C ATOM 237 O LEU A 38 -6.269 7.559 6.271 1.00 20.95 O ATOM 238 CB LEU A 38 -7.250 4.330 6.295 1.00 20.31 C ATOM 239 CG LEU A 38 -6.722 3.087 5.569 1.00 21.21 C ATOM 240 CD1 LEU A 38 -5.498 2.496 6.233 1.00 22.49 C ATOM 241 CD2 LEU A 38 -7.817 2.050 5.429 1.00 20.44 C ATOM 242 HA LEU A 38 -5.309 5.247 6.448 1.00 0.00 H ATOM 243 HB2 LEU A 38 -7.947 3.982 7.058 1.00 0.00 H ATOM 244 HB3 LEU A 38 -7.788 4.926 5.558 1.00 0.00 H ATOM 245 HG LEU A 38 -6.409 3.408 4.575 1.00 0.00 H ATOM 246 HD21 LEU A 38 -8.170 1.760 6.419 1.00 0.00 H ATOM 247 HD22 LEU A 38 -8.643 2.471 4.856 1.00 0.00 H ATOM 248 HD23 LEU A 38 -7.423 1.175 4.911 1.00 0.00 H ATOM 249 HD11 LEU A 38 -4.700 3.238 6.247 1.00 0.00 H ATOM 250 HD12 LEU A 38 -5.745 2.206 7.254 1.00 0.00 H ATOM 251 HD13 LEU A 38 -5.171 1.619 5.674 1.00 0.00 H ATOM 252 H LEU A 38 -6.418 3.926 8.685 1.00 0.00 H ATOM 253 N LYS A 39 -7.826 6.942 7.773 1.00 21.03 N ATOM 254 CA LYS A 39 -8.430 8.276 7.872 1.00 21.64 C ATOM 255 C LYS A 39 -7.495 9.337 8.452 1.00 21.73 C ATOM 256 O LYS A 39 -7.634 10.520 8.145 1.00 21.93 O ATOM 257 CB LYS A 39 -9.728 8.220 8.692 1.00 21.92 C ATOM 258 CG LYS A 39 -10.887 7.621 7.927 1.00 22.93 C ATOM 259 CD LYS A 39 -12.146 7.508 8.777 1.00 24.33 C ATOM 260 CE LYS A 39 -13.205 6.650 8.082 1.00 26.51 C ATOM 261 NZ LYS A 39 -13.996 7.402 7.061 1.00 28.51 N ATOM 262 HA LYS A 39 -8.646 8.580 6.848 1.00 0.00 H ATOM 263 HB2 LYS A 39 -9.551 7.617 9.582 1.00 0.00 H ATOM 264 HB3 LYS A 39 -9.995 9.234 8.989 1.00 0.00 H ATOM 265 HG2 LYS A 39 -11.102 8.252 7.065 1.00 0.00 H ATOM 266 HG3 LYS A 39 -10.604 6.625 7.585 1.00 0.00 H ATOM 267 HD2 LYS A 39 -11.890 7.053 9.734 1.00 0.00 H ATOM 268 HD3 LYS A 39 -12.551 8.505 8.948 1.00 0.00 H ATOM 269 HE2 LYS A 39 -13.890 6.266 8.838 1.00 0.00 H ATOM 270 HE3 LYS A 39 -12.706 5.816 7.588 1.00 0.00 H ATOM 271 HZ1 LYS A 39 -14.486 8.196 7.520 1.00 0.00 H ATOM 272 HZ2 LYS A 39 -13.355 7.766 6.327 1.00 0.00 H ATOM 273 HZ3 LYS A 39 -14.695 6.765 6.628 1.00 0.00 H ATOM 274 H LYS A 39 -8.219 6.166 8.343 1.00 0.00 H ATOM 275 N SER A 40 -6.538 8.925 9.281 1.00 21.62 N ATOM 276 CA SER A 40 -5.560 9.863 9.822 1.00 21.61 C ATOM 277 C SER A 40 -4.620 10.406 8.743 1.00 21.64 C ATOM 278 O SER A 40 -3.980 11.434 8.966 1.00 21.87 O ATOM 279 CB SER A 40 -4.743 9.234 10.965 1.00 21.69 C ATOM 280 OG SER A 40 -3.717 8.373 10.487 1.00 21.02 O ATOM 281 HA SER A 40 -6.131 10.701 10.223 1.00 0.00 H ATOM 282 HB2 SER A 40 -5.416 8.658 11.601 1.00 0.00 H ATOM 283 HB3 SER A 40 -4.286 10.032 11.550 1.00 0.00 H ATOM 284 HG SER A 40 -4.122 7.639 9.960 1.00 0.00 H ATOM 285 H SER A 40 -6.487 7.921 9.547 1.00 0.00 H ATOM 286 N VAL A 41 -4.530 9.725 7.595 1.00 21.63 N ATOM 287 CA VAL A 41 -3.693 10.183 6.481 1.00 21.78 C ATOM 288 C VAL A 41 -4.517 10.567 5.239 1.00 22.36 C ATOM 289 O VAL A 41 -3.997 10.583 4.123 1.00 22.98 O ATOM 290 CB VAL A 41 -2.568 9.159 6.100 1.00 21.76 C ATOM 291 CG1 VAL A 41 -1.437 9.211 7.113 1.00 21.31 C ATOM 292 CG2 VAL A 41 -3.125 7.737 5.949 1.00 20.88 C ATOM 293 HA VAL A 41 -3.203 11.085 6.847 1.00 0.00 H ATOM 294 HB VAL A 41 -2.166 9.446 5.128 1.00 0.00 H ATOM 295 HG11 VAL A 41 -1.012 10.215 7.130 1.00 0.00 H ATOM 296 HG12 VAL A 41 -1.824 8.962 8.101 1.00 0.00 H ATOM 297 HG13 VAL A 41 -0.666 8.494 6.832 1.00 0.00 H ATOM 298 HG21 VAL A 41 -3.573 7.422 6.891 1.00 0.00 H ATOM 299 HG22 VAL A 41 -3.881 7.726 5.164 1.00 0.00 H ATOM 300 HG23 VAL A 41 -2.315 7.057 5.685 1.00 0.00 H ATOM 301 H VAL A 41 -5.071 8.843 7.489 1.00 0.00 H ATOM 302 N GLY A 42 -5.794 10.879 5.436 1.00 22.88 N ATOM 303 CA GLY A 42 -6.623 11.454 4.379 1.00 23.23 C ATOM 304 C GLY A 42 -7.742 10.576 3.840 1.00 23.51 C ATOM 305 O GLY A 42 -8.666 11.075 3.196 1.00 23.60 O ATOM 306 HA3 GLY A 42 -5.968 11.706 3.545 1.00 0.00 H ATOM 307 HA2 GLY A 42 -7.076 12.364 4.772 1.00 0.00 H ATOM 308 H GLY A 42 -6.216 10.709 6.371 1.00 0.00 H ATOM 309 N ALA A 43 -7.679 9.273 4.082 1.00 23.47 N ATOM 310 CA ALA A 43 -8.725 8.375 3.584 1.00 23.63 C ATOM 311 C ALA A 43 -10.094 8.818 4.128 1.00 23.65 C ATOM 312 O ALA A 43 -10.189 9.253 5.266 1.00 23.56 O ATOM 313 CB ALA A 43 -8.416 6.947 3.975 1.00 23.59 C ATOM 314 HA ALA A 43 -8.757 8.425 2.496 1.00 0.00 H ATOM 315 HB1 ALA A 43 -7.458 6.653 3.546 1.00 0.00 H ATOM 316 HB2 ALA A 43 -8.367 6.872 5.061 1.00 0.00 H ATOM 317 HB3 ALA A 43 -9.201 6.291 3.599 1.00 0.00 H ATOM 318 H ALA A 43 -6.883 8.887 4.628 1.00 0.00 H ATOM 319 N GLN A 44 -11.140 8.738 3.312 1.00 23.80 N ATOM 320 CA GLN A 44 -12.460 9.233 3.729 1.00 24.17 C ATOM 321 C GLN A 44 -13.642 8.277 3.530 1.00 24.39 C ATOM 322 O GLN A 44 -14.795 8.712 3.500 1.00 24.66 O ATOM 323 HA GLN A 44 -12.404 9.474 4.790 1.00 0.00 H ATOM 324 H GLN A 44 -11.023 8.320 2.367 1.00 0.00 H ATOM 325 N LYS A 45 -13.373 6.981 3.409 1.00 24.35 N ATOM 326 CA LYS A 45 -14.439 6.023 3.090 1.00 24.34 C ATOM 327 C LYS A 45 -14.351 4.759 3.929 1.00 24.05 C ATOM 328 O LYS A 45 -13.445 4.624 4.747 1.00 24.03 O ATOM 329 CB LYS A 45 -14.447 5.715 1.589 1.00 24.49 C ATOM 330 CG LYS A 45 -13.104 5.389 0.982 1.00 24.49 C ATOM 331 CD LYS A 45 -13.229 5.348 -0.536 1.00 24.81 C ATOM 332 CE LYS A 45 -11.908 5.027 -1.196 1.00 25.13 C ATOM 333 NZ LYS A 45 -11.972 5.201 -2.668 1.00 25.64 N ATOM 334 HA LYS A 45 -15.391 6.488 3.347 1.00 0.00 H ATOM 335 HB2 LYS A 45 -15.105 4.862 1.425 1.00 0.00 H ATOM 336 HB3 LYS A 45 -14.847 6.586 1.070 1.00 0.00 H ATOM 337 HG2 LYS A 45 -12.381 6.153 1.267 1.00 0.00 H ATOM 338 HG3 LYS A 45 -12.767 4.418 1.345 1.00 0.00 H ATOM 339 HD2 LYS A 45 -13.956 4.584 -0.811 1.00 0.00 H ATOM 340 HD3 LYS A 45 -13.574 6.320 -0.889 1.00 0.00 H ATOM 341 HE2 LYS A 45 -11.644 3.993 -0.974 1.00 0.00 H ATOM 342 HE3 LYS A 45 -11.142 5.691 -0.795 1.00 0.00 H ATOM 343 HZ1 LYS A 45 -12.697 4.566 -3.060 1.00 0.00 H ATOM 344 HZ2 LYS A 45 -12.217 6.187 -2.889 1.00 0.00 H ATOM 345 HZ3 LYS A 45 -11.047 4.971 -3.084 1.00 0.00 H ATOM 346 H LYS A 45 -12.399 6.642 3.541 1.00 0.00 H ATOM 347 N ASP A 46 -15.323 3.864 3.747 1.00 23.89 N ATOM 348 CA ASP A 46 -15.394 2.604 4.496 1.00 23.89 C ATOM 349 C ASP A 46 -14.843 1.411 3.705 1.00 22.92 C ATOM 350 O ASP A 46 -14.358 0.443 4.299 1.00 22.96 O ATOM 351 CB ASP A 46 -16.848 2.322 4.917 1.00 24.32 C ATOM 352 CG ASP A 46 -17.400 3.376 5.892 1.00 26.47 C ATOM 353 OD1 ASP A 46 -16.637 3.905 6.733 1.00 28.94 O ATOM 354 OD2 ASP A 46 -18.610 3.676 5.819 1.00 30.66 O ATOM 355 HA ASP A 46 -14.765 2.724 5.378 1.00 0.00 H ATOM 356 HB2 ASP A 46 -17.474 2.311 4.025 1.00 0.00 H ATOM 357 HB3 ASP A 46 -16.888 1.345 5.400 1.00 0.00 H ATOM 358 H ASP A 46 -16.062 4.068 3.044 1.00 0.00 H ATOM 359 N THR A 47 -14.930 1.477 2.377 1.00 21.61 N ATOM 360 CA THR A 47 -14.476 0.396 1.505 1.00 20.89 C ATOM 361 C THR A 47 -13.367 0.864 0.563 1.00 19.87 C ATOM 362 O THR A 47 -13.472 1.923 -0.070 1.00 19.72 O ATOM 363 CB THR A 47 -15.633 -0.160 0.668 1.00 21.09 C ATOM 364 OG1 THR A 47 -16.688 -0.591 1.540 1.00 22.43 O ATOM 365 CG2 THR A 47 -15.165 -1.335 -0.177 1.00 21.62 C ATOM 366 HA THR A 47 -14.086 -0.388 2.154 1.00 0.00 H ATOM 367 HB THR A 47 -15.996 0.626 0.006 1.00 0.00 H ATOM 368 HG1 THR A 47 -17.435 -0.950 0.999 1.00 0.00 H ATOM 369 HG23 THR A 47 -14.364 -1.008 -0.840 1.00 0.00 H ATOM 370 HG21 THR A 47 -14.798 -2.127 0.476 1.00 0.00 H ATOM 371 HG22 THR A 47 -15.999 -1.709 -0.771 1.00 0.00 H ATOM 372 H THR A 47 -15.337 2.331 1.944 1.00 0.00 H ATOM 373 N TYR A 48 -12.320 0.050 0.458 1.00 18.54 N ATOM 374 CA TYR A 48 -11.117 0.408 -0.273 1.00 17.80 C ATOM 375 C TYR A 48 -10.688 -0.708 -1.205 1.00 17.44 C ATOM 376 O TYR A 48 -11.075 -1.856 -1.039 1.00 17.31 O ATOM 377 CB TYR A 48 -9.970 0.674 0.711 1.00 17.74 C ATOM 378 CG TYR A 48 -10.207 1.839 1.640 1.00 17.84 C ATOM 379 CD1 TYR A 48 -11.005 1.701 2.766 1.00 18.48 C ATOM 380 CD2 TYR A 48 -9.643 3.083 1.383 1.00 18.81 C ATOM 381 CE1 TYR A 48 -11.232 2.761 3.610 1.00 18.87 C ATOM 382 CE2 TYR A 48 -9.851 4.147 2.227 1.00 18.52 C ATOM 383 CZ TYR A 48 -10.657 3.983 3.340 1.00 19.56 C ATOM 384 OH TYR A 48 -10.890 5.044 4.178 1.00 20.55 O ATOM 385 HA TYR A 48 -11.340 1.301 -0.857 1.00 0.00 H ATOM 386 HB3 TYR A 48 -9.066 0.874 0.136 1.00 0.00 H ATOM 387 HB2 TYR A 48 -9.824 -0.221 1.316 1.00 0.00 H ATOM 388 HD2 TYR A 48 -9.024 3.217 0.496 1.00 0.00 H ATOM 389 HE2 TYR A 48 -9.386 5.111 2.022 1.00 0.00 H ATOM 390 HE1 TYR A 48 -11.864 2.635 4.489 1.00 0.00 H ATOM 391 HD1 TYR A 48 -11.460 0.735 2.985 1.00 0.00 H ATOM 392 HH TYR A 48 -11.482 4.755 4.917 1.00 0.00 H ATOM 393 H TYR A 48 -12.365 -0.881 0.918 1.00 0.00 H ATOM 394 N THR A 49 -9.862 -0.364 -2.181 1.00 17.22 N ATOM 395 CA THR A 49 -9.064 -1.361 -2.872 1.00 16.95 C ATOM 396 C THR A 49 -7.817 -1.643 -2.015 1.00 16.44 C ATOM 397 O THR A 49 -7.408 -0.814 -1.179 1.00 15.09 O ATOM 398 CB THR A 49 -8.631 -0.898 -4.280 1.00 16.95 C ATOM 399 OG1 THR A 49 -7.750 0.229 -4.169 1.00 16.99 O ATOM 400 CG2 THR A 49 -9.858 -0.524 -5.148 1.00 17.78 C ATOM 401 HA THR A 49 -9.668 -2.258 -3.007 1.00 0.00 H ATOM 402 HB THR A 49 -8.111 -1.723 -4.767 1.00 0.00 H ATOM 403 HG1 THR A 49 -7.475 0.522 -5.074 1.00 0.00 H ATOM 404 HG23 THR A 49 -10.522 -1.385 -5.227 1.00 0.00 H ATOM 405 HG21 THR A 49 -10.391 0.306 -4.683 1.00 0.00 H ATOM 406 HG22 THR A 49 -9.522 -0.230 -6.142 1.00 0.00 H ATOM 407 H THR A 49 -9.784 0.636 -2.457 1.00 0.00 H ATOM 408 N MET A 50 -7.221 -2.817 -2.215 1.00 16.28 N ATOM 409 CA MET A 50 -5.960 -3.143 -1.546 1.00 16.43 C ATOM 410 C MET A 50 -4.848 -2.155 -1.916 1.00 16.12 C ATOM 411 O MET A 50 -4.018 -1.810 -1.070 1.00 16.01 O ATOM 412 CB MET A 50 -5.528 -4.573 -1.859 1.00 16.89 C ATOM 413 CG MET A 50 -6.228 -5.616 -0.999 1.00 18.53 C ATOM 414 SD MET A 50 -5.802 -5.479 0.741 1.00 21.08 S ATOM 415 CE MET A 50 -4.050 -5.798 0.722 1.00 21.69 C ATOM 416 HA MET A 50 -6.135 -3.060 -0.473 1.00 0.00 H ATOM 417 HB2 MET A 50 -5.751 -4.781 -2.905 1.00 0.00 H ATOM 418 HB3 MET A 50 -4.453 -4.654 -1.695 1.00 0.00 H ATOM 419 HG2 MET A 50 -5.943 -6.607 -1.351 1.00 0.00 H ATOM 420 HG3 MET A 50 -7.305 -5.490 -1.106 1.00 0.00 H ATOM 421 HE1 MET A 50 -3.867 -6.792 0.315 1.00 0.00 H ATOM 422 HE2 MET A 50 -3.553 -5.053 0.101 1.00 0.00 H ATOM 423 HE3 MET A 50 -3.661 -5.743 1.739 1.00 0.00 H ATOM 424 H MET A 50 -7.657 -3.511 -2.855 1.00 0.00 H ATOM 425 N LYS A 51 -4.852 -1.682 -3.163 1.00 15.85 N ATOM 426 CA LYS A 51 -3.882 -0.667 -3.608 1.00 15.73 C ATOM 427 C LYS A 51 -3.995 0.602 -2.764 1.00 14.85 C ATOM 428 O LYS A 51 -2.983 1.176 -2.352 1.00 14.64 O ATOM 429 CB LYS A 51 -4.076 -0.327 -5.092 1.00 15.95 C ATOM 430 CG LYS A 51 -3.922 -1.520 -6.017 1.00 17.61 C ATOM 431 HA LYS A 51 -2.885 -1.088 -3.477 1.00 0.00 H ATOM 432 HB2 LYS A 51 -5.077 0.083 -5.223 1.00 0.00 H ATOM 433 HB3 LYS A 51 -3.337 0.424 -5.373 1.00 0.00 H ATOM 434 HG2 LYS A 51 -2.921 -1.936 -5.907 1.00 0.00 H ATOM 435 HG3 LYS A 51 -4.662 -2.277 -5.758 1.00 0.00 H ATOM 436 H LYS A 51 -5.558 -2.039 -3.838 1.00 0.00 H ATOM 437 N GLU A 52 -5.230 1.020 -2.490 1.00 14.27 N ATOM 438 CA GLU A 52 -5.469 2.169 -1.608 1.00 13.98 C ATOM 439 C GLU A 52 -4.972 1.939 -0.179 1.00 13.00 C ATOM 440 O GLU A 52 -4.334 2.805 0.407 1.00 11.99 O ATOM 441 CB GLU A 52 -6.954 2.529 -1.583 1.00 14.37 C ATOM 442 CG GLU A 52 -7.442 3.209 -2.854 1.00 15.19 C ATOM 443 CD GLU A 52 -8.949 3.427 -2.869 1.00 16.90 C ATOM 444 OE1 GLU A 52 -9.702 2.523 -2.439 1.00 15.46 O ATOM 445 OE2 GLU A 52 -9.378 4.516 -3.319 1.00 19.19 O ATOM 446 HA GLU A 52 -4.894 2.997 -2.023 1.00 0.00 H ATOM 447 HB2 GLU A 52 -7.528 1.613 -1.441 1.00 0.00 H ATOM 448 HB3 GLU A 52 -7.131 3.201 -0.743 1.00 0.00 H ATOM 449 HG2 GLU A 52 -6.949 4.177 -2.942 1.00 0.00 H ATOM 450 HG3 GLU A 52 -7.172 2.587 -3.707 1.00 0.00 H ATOM 451 H GLU A 52 -6.041 0.522 -2.909 1.00 0.00 H ATOM 452 N VAL A 53 -5.276 0.777 0.392 1.00 12.97 N ATOM 453 CA VAL A 53 -4.787 0.452 1.741 1.00 12.59 C ATOM 454 C VAL A 53 -3.251 0.528 1.829 1.00 12.08 C ATOM 455 O VAL A 53 -2.696 1.145 2.752 1.00 12.21 O ATOM 456 CB VAL A 53 -5.259 -0.941 2.187 1.00 13.02 C ATOM 457 CG1 VAL A 53 -4.614 -1.318 3.519 1.00 13.65 C ATOM 458 CG2 VAL A 53 -6.792 -0.971 2.300 1.00 13.19 C ATOM 459 HA VAL A 53 -5.208 1.201 2.412 1.00 0.00 H ATOM 460 HB VAL A 53 -4.953 -1.672 1.438 1.00 0.00 H ATOM 461 HG11 VAL A 53 -3.530 -1.328 3.406 1.00 0.00 H ATOM 462 HG12 VAL A 53 -4.895 -0.587 4.277 1.00 0.00 H ATOM 463 HG13 VAL A 53 -4.958 -2.307 3.821 1.00 0.00 H ATOM 464 HG21 VAL A 53 -7.116 -0.232 3.033 1.00 0.00 H ATOM 465 HG22 VAL A 53 -7.231 -0.738 1.330 1.00 0.00 H ATOM 466 HG23 VAL A 53 -7.112 -1.964 2.617 1.00 0.00 H ATOM 467 H VAL A 53 -5.866 0.091 -0.121 1.00 0.00 H ATOM 468 N LEU A 54 -2.569 -0.081 0.862 1.00 11.74 N ATOM 469 CA LEU A 54 -1.106 -0.109 0.837 1.00 11.99 C ATOM 470 C LEU A 54 -0.494 1.284 0.626 1.00 11.68 C ATOM 471 O LEU A 54 0.546 1.606 1.209 1.00 10.83 O ATOM 472 CB LEU A 54 -0.588 -1.073 -0.234 1.00 11.93 C ATOM 473 CG LEU A 54 -0.469 -2.559 0.120 1.00 13.31 C ATOM 474 CD1 LEU A 54 0.597 -2.765 1.166 1.00 13.90 C ATOM 475 CD2 LEU A 54 -1.800 -3.180 0.553 1.00 14.58 C ATOM 476 HA LEU A 54 -0.791 -0.464 1.818 1.00 0.00 H ATOM 477 HB2 LEU A 54 -1.261 -0.998 -1.088 1.00 0.00 H ATOM 478 HB3 LEU A 54 0.405 -0.730 -0.524 1.00 0.00 H ATOM 479 HG LEU A 54 -0.176 -3.081 -0.791 1.00 0.00 H ATOM 480 HD21 LEU A 54 -2.173 -2.658 1.434 1.00 0.00 H ATOM 481 HD22 LEU A 54 -2.523 -3.089 -0.258 1.00 0.00 H ATOM 482 HD23 LEU A 54 -1.648 -4.233 0.790 1.00 0.00 H ATOM 483 HD11 LEU A 54 1.554 -2.413 0.782 1.00 0.00 H ATOM 484 HD12 LEU A 54 0.336 -2.205 2.064 1.00 0.00 H ATOM 485 HD13 LEU A 54 0.669 -3.826 1.406 1.00 0.00 H ATOM 486 H LEU A 54 -3.094 -0.553 0.098 1.00 0.00 H ATOM 487 N PHE A 55 -1.128 2.092 -0.219 1.00 11.95 N ATOM 488 CA PHE A 55 -0.746 3.493 -0.369 1.00 12.10 C ATOM 489 C PHE A 55 -0.819 4.253 0.962 1.00 11.94 C ATOM 490 O PHE A 55 0.172 4.833 1.405 1.00 11.51 O ATOM 491 CB PHE A 55 -1.624 4.225 -1.390 1.00 12.71 C ATOM 492 CG PHE A 55 -1.324 5.687 -1.458 1.00 13.56 C ATOM 493 CD1 PHE A 55 -0.314 6.161 -2.288 1.00 15.57 C ATOM 494 CD2 PHE A 55 -1.998 6.583 -0.634 1.00 15.27 C ATOM 495 CE1 PHE A 55 -0.010 7.519 -2.328 1.00 16.20 C ATOM 496 CE2 PHE A 55 -1.694 7.933 -0.651 1.00 16.80 C ATOM 497 CZ PHE A 55 -0.684 8.399 -1.507 1.00 17.27 C ATOM 498 HA PHE A 55 0.284 3.478 -0.724 1.00 0.00 H ATOM 499 HB2 PHE A 55 -1.456 3.787 -2.374 1.00 0.00 H ATOM 500 HB3 PHE A 55 -2.669 4.095 -1.110 1.00 0.00 H ATOM 501 HD2 PHE A 55 -2.777 6.216 0.035 1.00 0.00 H ATOM 502 HE2 PHE A 55 -2.233 8.627 -0.006 1.00 0.00 H ATOM 503 HZ PHE A 55 -0.432 9.459 -1.523 1.00 0.00 H ATOM 504 HE1 PHE A 55 0.759 7.886 -3.007 1.00 0.00 H ATOM 505 HD1 PHE A 55 0.244 5.464 -2.912 1.00 0.00 H ATOM 506 H PHE A 55 -1.915 1.717 -0.786 1.00 0.00 H ATOM 507 N TYR A 56 -1.994 4.252 1.585 1.00 12.02 N ATOM 508 CA TYR A 56 -2.188 5.003 2.824 1.00 12.63 C ATOM 509 C TYR A 56 -1.272 4.518 3.964 1.00 12.52 C ATOM 510 O TYR A 56 -0.780 5.326 4.750 1.00 12.56 O ATOM 511 CB TYR A 56 -3.658 4.991 3.261 1.00 12.96 C ATOM 512 CG TYR A 56 -4.542 5.916 2.446 1.00 14.39 C ATOM 513 CD1 TYR A 56 -4.375 7.298 2.509 1.00 17.82 C ATOM 514 CD2 TYR A 56 -5.550 5.420 1.626 1.00 16.62 C ATOM 515 CE1 TYR A 56 -5.190 8.166 1.769 1.00 17.92 C ATOM 516 CE2 TYR A 56 -6.381 6.290 0.879 1.00 17.40 C ATOM 517 CZ TYR A 56 -6.183 7.650 0.957 1.00 18.39 C ATOM 518 OH TYR A 56 -6.977 8.514 0.229 1.00 20.73 O ATOM 519 HA TYR A 56 -1.903 6.032 2.606 1.00 0.00 H ATOM 520 HB3 TYR A 56 -3.710 5.297 4.306 1.00 0.00 H ATOM 521 HB2 TYR A 56 -4.039 3.974 3.162 1.00 0.00 H ATOM 522 HD2 TYR A 56 -5.703 4.343 1.557 1.00 0.00 H ATOM 523 HE2 TYR A 56 -7.172 5.886 0.247 1.00 0.00 H ATOM 524 HE1 TYR A 56 -5.041 9.244 1.834 1.00 0.00 H ATOM 525 HD1 TYR A 56 -3.594 7.713 3.147 1.00 0.00 H ATOM 526 HH TYR A 56 -6.880 8.316 -0.736 1.00 0.00 H ATOM 527 H TYR A 56 -2.786 3.709 1.185 1.00 0.00 H ATOM 528 N LEU A 57 -1.029 3.212 4.048 1.00 12.53 N ATOM 529 CA LEU A 57 -0.077 2.703 5.038 1.00 12.80 C ATOM 530 C LEU A 57 1.349 3.215 4.783 1.00 12.52 C ATOM 531 O LEU A 57 2.039 3.608 5.717 1.00 13.01 O ATOM 532 CB LEU A 57 -0.103 1.175 5.094 1.00 12.79 C ATOM 533 CG LEU A 57 -1.293 0.623 5.870 1.00 14.46 C ATOM 534 CD1 LEU A 57 -1.434 -0.882 5.652 1.00 15.66 C ATOM 535 CD2 LEU A 57 -1.155 0.951 7.371 1.00 15.70 C ATOM 536 HA LEU A 57 -0.392 3.087 6.008 1.00 0.00 H ATOM 537 HB2 LEU A 57 -0.146 0.791 4.075 1.00 0.00 H ATOM 538 HB3 LEU A 57 0.813 0.830 5.573 1.00 0.00 H ATOM 539 HG LEU A 57 -2.198 1.101 5.496 1.00 0.00 H ATOM 540 HD21 LEU A 57 -0.240 0.502 7.757 1.00 0.00 H ATOM 541 HD22 LEU A 57 -1.115 2.032 7.503 1.00 0.00 H ATOM 542 HD23 LEU A 57 -2.013 0.549 7.910 1.00 0.00 H ATOM 543 HD11 LEU A 57 -1.583 -1.082 4.591 1.00 0.00 H ATOM 544 HD12 LEU A 57 -0.529 -1.384 5.994 1.00 0.00 H ATOM 545 HD13 LEU A 57 -2.290 -1.251 6.217 1.00 0.00 H ATOM 546 H LEU A 57 -1.516 2.551 3.409 1.00 0.00 H ATOM 547 N GLY A 58 1.786 3.206 3.525 1.00 12.67 N ATOM 548 CA GLY A 58 3.097 3.757 3.154 1.00 13.02 C ATOM 549 C GLY A 58 3.190 5.238 3.472 1.00 13.40 C ATOM 550 O GLY A 58 4.201 5.715 3.975 1.00 13.17 O ATOM 551 HA3 GLY A 58 3.251 3.614 2.085 1.00 0.00 H ATOM 552 HA2 GLY A 58 3.873 3.227 3.706 1.00 0.00 H ATOM 553 H GLY A 58 1.182 2.797 2.784 1.00 0.00 H ATOM 554 N GLN A 59 2.115 5.959 3.171 1.00 14.00 N ATOM 555 CA GLN A 59 2.003 7.385 3.495 1.00 15.01 C ATOM 556 C GLN A 59 2.096 7.637 4.997 1.00 14.27 C ATOM 557 O GLN A 59 2.782 8.553 5.453 1.00 13.94 O ATOM 558 CB GLN A 59 0.663 7.911 2.979 1.00 15.84 C ATOM 559 CG GLN A 59 0.547 9.415 2.950 1.00 19.45 C ATOM 560 CD GLN A 59 1.157 9.996 1.705 1.00 23.76 C ATOM 561 OE1 GLN A 59 2.302 9.699 1.371 1.00 25.52 O ATOM 562 NE2 GLN A 59 0.390 10.827 0.997 1.00 26.11 N ATOM 563 HA GLN A 59 2.833 7.905 3.017 1.00 0.00 H ATOM 564 HB2 GLN A 59 0.520 7.539 1.964 1.00 0.00 H ATOM 565 HB3 GLN A 59 -0.126 7.521 3.622 1.00 0.00 H ATOM 566 HG2 GLN A 59 -0.507 9.689 2.988 1.00 0.00 H ATOM 567 HG3 GLN A 59 1.060 9.826 3.820 1.00 0.00 H ATOM 568 HE22 GLN A 59 -0.573 11.048 1.320 1.00 0.00 H ATOM 569 HE21 GLN A 59 0.756 11.254 0.122 1.00 0.00 H ATOM 570 H GLN A 59 1.321 5.493 2.686 1.00 0.00 H ATOM 571 N TYR A 60 1.386 6.817 5.759 1.00 13.82 N ATOM 572 CA TYR A 60 1.392 6.903 7.212 1.00 13.70 C ATOM 573 C TYR A 60 2.806 6.714 7.781 1.00 13.72 C ATOM 574 O TYR A 60 3.278 7.532 8.570 1.00 13.38 O ATOM 575 CB TYR A 60 0.427 5.852 7.784 1.00 13.39 C ATOM 576 CG TYR A 60 0.345 5.835 9.287 1.00 13.28 C ATOM 577 CD1 TYR A 60 -0.613 6.585 9.951 1.00 13.06 C ATOM 578 CD2 TYR A 60 1.230 5.057 10.049 1.00 12.94 C ATOM 579 CE1 TYR A 60 -0.696 6.577 11.338 1.00 13.51 C ATOM 580 CE2 TYR A 60 1.160 5.037 11.440 1.00 12.44 C ATOM 581 CZ TYR A 60 0.194 5.808 12.079 1.00 13.75 C ATOM 582 OH TYR A 60 0.105 5.814 13.448 1.00 13.07 O ATOM 583 HA TYR A 60 1.060 7.899 7.506 1.00 0.00 H ATOM 584 HB3 TYR A 60 0.756 4.868 7.449 1.00 0.00 H ATOM 585 HB2 TYR A 60 -0.569 6.054 7.390 1.00 0.00 H ATOM 586 HD2 TYR A 60 1.986 4.457 9.543 1.00 0.00 H ATOM 587 HE2 TYR A 60 1.852 4.426 12.020 1.00 0.00 H ATOM 588 HE1 TYR A 60 -1.457 7.172 11.844 1.00 0.00 H ATOM 589 HD1 TYR A 60 -1.313 7.191 9.376 1.00 0.00 H ATOM 590 HH TYR A 60 0.958 6.138 13.832 1.00 0.00 H ATOM 591 H TYR A 60 0.804 6.086 5.302 1.00 0.00 H ATOM 592 N ILE A 61 3.472 5.635 7.376 1.00 13.87 N ATOM 593 CA ILE A 61 4.823 5.321 7.861 1.00 14.10 C ATOM 594 C ILE A 61 5.800 6.439 7.490 1.00 14.44 C ATOM 595 O ILE A 61 6.620 6.870 8.305 1.00 13.53 O ATOM 596 CB ILE A 61 5.348 3.987 7.270 1.00 14.02 C ATOM 597 CG1 ILE A 61 4.570 2.786 7.833 1.00 14.21 C ATOM 598 CG2 ILE A 61 6.834 3.811 7.567 1.00 14.56 C ATOM 599 CD1 ILE A 61 4.768 1.477 7.024 1.00 11.09 C ATOM 600 HA ILE A 61 4.758 5.226 8.945 1.00 0.00 H ATOM 601 HB ILE A 61 5.200 4.028 6.191 1.00 0.00 H ATOM 602 HG12 ILE A 61 4.901 2.611 8.857 1.00 0.00 H ATOM 603 HG13 ILE A 61 3.508 3.033 7.833 1.00 0.00 H ATOM 604 HD11 ILE A 61 4.431 1.630 5.999 1.00 0.00 H ATOM 605 HD12 ILE A 61 5.824 1.208 7.024 1.00 0.00 H ATOM 606 HD13 ILE A 61 4.188 0.676 7.483 1.00 0.00 H ATOM 607 HG21 ILE A 61 7.392 4.636 7.124 1.00 0.00 H ATOM 608 HG22 ILE A 61 6.989 3.803 8.646 1.00 0.00 H ATOM 609 HG23 ILE A 61 7.179 2.868 7.142 1.00 0.00 H ATOM 610 H ILE A 61 3.021 4.993 6.694 1.00 0.00 H ATOM 611 N MET A 62 5.705 6.917 6.255 1.00 15.38 N ATOM 612 CA MET A 62 6.601 7.973 5.800 1.00 16.37 C ATOM 613 C MET A 62 6.331 9.286 6.559 1.00 16.95 C ATOM 614 O MET A 62 7.254 9.888 7.092 1.00 16.99 O ATOM 615 CB MET A 62 6.501 8.169 4.284 1.00 16.50 C ATOM 616 CG MET A 62 7.643 9.008 3.735 1.00 17.45 C ATOM 617 SD MET A 62 7.600 9.215 1.957 1.00 18.68 S ATOM 618 CE MET A 62 6.024 10.028 1.738 1.00 16.88 C ATOM 619 HA MET A 62 7.624 7.667 6.021 1.00 0.00 H ATOM 620 HB2 MET A 62 6.520 7.192 3.802 1.00 0.00 H ATOM 621 HB3 MET A 62 5.559 8.667 4.056 1.00 0.00 H ATOM 622 HG2 MET A 62 8.583 8.526 4.002 1.00 0.00 H ATOM 623 HG3 MET A 62 7.598 9.994 4.197 1.00 0.00 H ATOM 624 HE1 MET A 62 5.230 9.386 2.119 1.00 0.00 H ATOM 625 HE2 MET A 62 6.024 10.971 2.284 1.00 0.00 H ATOM 626 HE3 MET A 62 5.860 10.221 0.678 1.00 0.00 H ATOM 627 H MET A 62 4.986 6.535 5.608 1.00 0.00 H ATOM 628 N THR A 63 5.067 9.688 6.633 1.00 17.77 N ATOM 629 CA THR A 63 4.658 10.906 7.348 1.00 18.71 C ATOM 630 C THR A 63 5.150 10.933 8.805 1.00 18.72 C ATOM 631 O THR A 63 5.652 11.955 9.283 1.00 19.03 O ATOM 632 CB THR A 63 3.119 11.067 7.323 1.00 18.84 C ATOM 633 OG1 THR A 63 2.680 11.210 5.965 1.00 21.00 O ATOM 634 CG2 THR A 63 2.672 12.287 8.128 1.00 20.24 C ATOM 635 HA THR A 63 5.125 11.739 6.823 1.00 0.00 H ATOM 636 HB THR A 63 2.676 10.179 7.775 1.00 0.00 H ATOM 637 HG1 THR A 63 2.938 10.405 5.449 1.00 0.00 H ATOM 638 HG23 THR A 63 3.004 12.181 9.161 1.00 0.00 H ATOM 639 HG21 THR A 63 3.109 13.187 7.695 1.00 0.00 H ATOM 640 HG22 THR A 63 1.585 12.360 8.101 1.00 0.00 H ATOM 641 H THR A 63 4.335 9.116 6.165 1.00 0.00 H ATOM 642 N LYS A 64 5.032 9.806 9.495 1.00 18.59 N ATOM 643 CA LYS A 64 5.457 9.718 10.894 1.00 18.74 C ATOM 644 C LYS A 64 6.925 9.322 11.085 1.00 18.10 C ATOM 645 O LYS A 64 7.371 9.173 12.225 1.00 17.80 O ATOM 646 CB LYS A 64 4.553 8.749 11.643 1.00 18.89 C ATOM 647 CG LYS A 64 3.094 9.147 11.592 1.00 19.69 C ATOM 648 CD LYS A 64 2.269 8.362 12.593 1.00 20.78 C ATOM 649 CE LYS A 64 2.345 8.956 13.991 1.00 21.82 C ATOM 650 NZ LYS A 64 1.485 8.227 14.953 1.00 20.82 N ATOM 651 HA LYS A 64 5.368 10.725 11.302 1.00 0.00 H ATOM 652 HB2 LYS A 64 4.660 7.759 11.199 1.00 0.00 H ATOM 653 HB3 LYS A 64 4.868 8.714 12.686 1.00 0.00 H ATOM 654 HG2 LYS A 64 3.008 10.210 11.818 1.00 0.00 H ATOM 655 HG3 LYS A 64 2.710 8.958 10.590 1.00 0.00 H ATOM 656 HD2 LYS A 64 1.229 8.361 12.267 1.00 0.00 H ATOM 657 HD3 LYS A 64 2.639 7.337 12.626 1.00 0.00 H ATOM 658 HE2 LYS A 64 2.023 9.996 13.949 1.00 0.00 H ATOM 659 HE3 LYS A 64 3.378 8.910 14.337 1.00 0.00 H ATOM 660 HZ1 LYS A 64 0.496 8.271 14.635 1.00 0.00 H ATOM 661 HZ2 LYS A 64 1.790 7.234 15.005 1.00 0.00 H ATOM 662 HZ3 LYS A 64 1.568 8.666 15.892 1.00 0.00 H ATOM 663 H LYS A 64 4.629 8.966 9.032 1.00 0.00 H ATOM 664 N ARG A 65 7.665 9.172 9.983 1.00 17.47 N ATOM 665 CA ARG A 65 9.083 8.795 9.996 1.00 17.14 C ATOM 666 C ARG A 65 9.372 7.611 10.920 1.00 15.76 C ATOM 667 O ARG A 65 10.315 7.655 11.732 1.00 14.53 O ATOM 668 CB ARG A 65 9.971 9.966 10.423 1.00 17.97 C ATOM 669 CG ARG A 65 9.894 11.202 9.578 1.00 21.81 C ATOM 670 CD ARG A 65 10.631 11.080 8.277 1.00 26.07 C ATOM 671 NE ARG A 65 12.089 11.246 8.358 1.00 29.52 N ATOM 672 CZ ARG A 65 12.860 11.602 7.324 1.00 32.03 C ATOM 673 NH1 ARG A 65 12.330 11.863 6.133 1.00 33.56 N ATOM 674 NH2 ARG A 65 14.173 11.699 7.465 1.00 33.31 N ATOM 675 HA ARG A 65 9.314 8.504 8.971 1.00 0.00 H ATOM 676 HB2 ARG A 65 9.692 10.241 11.440 1.00 0.00 H ATOM 677 HB3 ARG A 65 11.005 9.620 10.412 1.00 0.00 H ATOM 678 HG2 ARG A 65 8.846 11.410 9.364 1.00 0.00 H ATOM 679 HG3 ARG A 65 10.320 12.033 10.140 1.00 0.00 H ATOM 680 HD2 ARG A 65 10.243 11.840 7.599 1.00 0.00 H ATOM 681 HD3 ARG A 65 10.428 10.091 7.867 1.00 0.00 H ATOM 682 HE ARG A 65 12.550 11.076 9.275 1.00 0.00 H ATOM 683 HH12 ARG A 65 12.944 12.138 5.340 1.00 0.00 H ATOM 684 HH11 ARG A 65 11.302 11.792 5.995 1.00 0.00 H ATOM 685 HH22 ARG A 65 14.764 11.976 6.655 1.00 0.00 H ATOM 686 HH21 ARG A 65 14.613 11.498 8.385 1.00 0.00 H ATOM 687 H ARG A 65 7.209 9.332 9.062 1.00 0.00 H ATOM 688 N LEU A 66 8.558 6.563 10.799 1.00 14.28 N ATOM 689 CA LEU A 66 8.695 5.378 11.647 1.00 13.70 C ATOM 690 C LEU A 66 9.917 4.531 11.308 1.00 13.89 C ATOM 691 O LEU A 66 10.381 3.760 12.141 1.00 13.47 O ATOM 692 CB LEU A 66 7.438 4.507 11.578 1.00 12.74 C ATOM 693 CG LEU A 66 6.145 5.131 12.122 1.00 13.00 C ATOM 694 CD1 LEU A 66 5.068 4.050 12.277 1.00 9.74 C ATOM 695 CD2 LEU A 66 6.358 5.897 13.453 1.00 9.91 C ATOM 696 HA LEU A 66 8.831 5.755 12.661 1.00 0.00 H ATOM 697 HB2 LEU A 66 7.269 4.251 10.532 1.00 0.00 H ATOM 698 HB3 LEU A 66 7.633 3.598 12.147 1.00 0.00 H ATOM 699 HG LEU A 66 5.812 5.872 11.395 1.00 0.00 H ATOM 700 HD21 LEU A 66 6.740 5.210 14.209 1.00 0.00 H ATOM 701 HD22 LEU A 66 7.076 6.702 13.296 1.00 0.00 H ATOM 702 HD23 LEU A 66 5.408 6.315 13.786 1.00 0.00 H ATOM 703 HD11 LEU A 66 4.868 3.596 11.306 1.00 0.00 H ATOM 704 HD12 LEU A 66 5.419 3.286 12.971 1.00 0.00 H ATOM 705 HD13 LEU A 66 4.154 4.502 12.663 1.00 0.00 H ATOM 706 H LEU A 66 7.805 6.588 10.082 1.00 0.00 H ATOM 707 N TYR A 67 10.421 4.679 10.090 1.00 14.16 N ATOM 708 CA TYR A 67 11.555 3.898 9.612 1.00 15.08 C ATOM 709 C TYR A 67 12.890 4.385 10.198 1.00 15.20 C ATOM 710 O TYR A 67 13.038 5.564 10.549 1.00 15.15 O ATOM 711 CB TYR A 67 11.605 3.935 8.075 1.00 15.18 C ATOM 712 CG TYR A 67 11.660 5.332 7.489 1.00 16.70 C ATOM 713 CD1 TYR A 67 12.857 6.025 7.420 1.00 17.11 C ATOM 714 CD2 TYR A 67 10.511 5.958 7.007 1.00 18.06 C ATOM 715 CE1 TYR A 67 12.919 7.300 6.899 1.00 18.64 C ATOM 716 CE2 TYR A 67 10.565 7.237 6.474 1.00 18.72 C ATOM 717 CZ TYR A 67 11.774 7.897 6.420 1.00 20.32 C ATOM 718 OH TYR A 67 11.847 9.167 5.904 1.00 22.29 O ATOM 719 HA TYR A 67 11.411 2.872 9.951 1.00 0.00 H ATOM 720 HB3 TYR A 67 10.714 3.438 7.692 1.00 0.00 H ATOM 721 HB2 TYR A 67 12.492 3.392 7.748 1.00 0.00 H ATOM 722 HD2 TYR A 67 9.556 5.434 7.050 1.00 0.00 H ATOM 723 HE2 TYR A 67 9.660 7.716 6.101 1.00 0.00 H ATOM 724 HE1 TYR A 67 13.869 7.833 6.866 1.00 0.00 H ATOM 725 HD1 TYR A 67 13.769 5.553 7.785 1.00 0.00 H ATOM 726 HH TYR A 67 11.539 9.158 4.963 1.00 0.00 H ATOM 727 H TYR A 67 9.991 5.379 9.452 1.00 0.00 H ATOM 728 N ASP A 68 13.853 3.468 10.284 1.00 15.69 N ATOM 729 CA ASP A 68 15.232 3.790 10.675 1.00 16.37 C ATOM 730 C ASP A 68 15.856 4.750 9.659 1.00 16.87 C ATOM 731 O ASP A 68 15.868 4.461 8.463 1.00 15.94 O ATOM 732 CB ASP A 68 16.064 2.510 10.753 1.00 16.41 C ATOM 733 CG ASP A 68 17.412 2.726 11.405 1.00 17.04 C ATOM 734 OD1 ASP A 68 17.493 2.559 12.626 1.00 16.98 O ATOM 735 OD2 ASP A 68 18.390 3.065 10.709 1.00 18.06 O ATOM 736 HA ASP A 68 15.217 4.268 11.654 1.00 0.00 H ATOM 737 HB2 ASP A 68 15.511 1.770 11.332 1.00 0.00 H ATOM 738 HB3 ASP A 68 16.222 2.135 9.742 1.00 0.00 H ATOM 739 H ASP A 68 13.618 2.479 10.064 1.00 0.00 H ATOM 740 N GLU A 69 16.364 5.888 10.135 1.00 17.90 N ATOM 741 CA GLU A 69 16.932 6.916 9.245 1.00 18.83 C ATOM 742 C GLU A 69 18.069 6.397 8.345 1.00 18.84 C ATOM 743 O GLU A 69 18.245 6.886 7.221 1.00 18.62 O ATOM 744 CB GLU A 69 17.446 8.123 10.049 1.00 19.49 C ATOM 745 CG GLU A 69 16.386 8.913 10.818 1.00 21.33 C ATOM 746 CD GLU A 69 15.315 9.507 9.916 1.00 23.55 C ATOM 747 OE1 GLU A 69 14.125 9.486 10.310 1.00 24.10 O ATOM 748 OE2 GLU A 69 15.661 9.973 8.806 1.00 24.77 O ATOM 749 HA GLU A 69 16.109 7.216 8.596 1.00 0.00 H ATOM 750 HB2 GLU A 69 18.178 7.758 10.769 1.00 0.00 H ATOM 751 HB3 GLU A 69 17.932 8.806 9.353 1.00 0.00 H ATOM 752 HG2 GLU A 69 15.906 8.245 11.534 1.00 0.00 H ATOM 753 HG3 GLU A 69 16.878 9.725 11.354 1.00 0.00 H ATOM 754 H GLU A 69 16.359 6.054 11.162 1.00 0.00 H ATOM 755 N LYS A 70 18.838 5.424 8.836 1.00 19.17 N ATOM 756 CA LYS A 70 20.009 4.910 8.105 1.00 19.32 C ATOM 757 C LYS A 70 19.670 3.691 7.253 1.00 19.25 C ATOM 758 O LYS A 70 20.061 3.621 6.087 1.00 19.46 O ATOM 759 CB LYS A 70 21.138 4.562 9.084 1.00 19.67 C ATOM 760 CG LYS A 70 21.585 5.732 9.951 1.00 20.04 C ATOM 761 HA LYS A 70 20.338 5.702 7.432 1.00 0.00 H ATOM 762 HB2 LYS A 70 20.791 3.762 9.738 1.00 0.00 H ATOM 763 HB3 LYS A 70 21.996 4.213 8.509 1.00 0.00 H ATOM 764 HG2 LYS A 70 21.947 6.538 9.313 1.00 0.00 H ATOM 765 HG3 LYS A 70 20.741 6.087 10.543 1.00 0.00 H ATOM 766 H LYS A 70 18.604 5.016 9.763 1.00 0.00 H ATOM 767 N GLN A 71 18.959 2.725 7.841 1.00 18.49 N ATOM 768 CA GLN A 71 18.515 1.536 7.122 1.00 18.22 C ATOM 769 C GLN A 71 16.996 1.611 6.961 1.00 17.11 C ATOM 770 O GLN A 71 16.258 1.083 7.781 1.00 16.83 O ATOM 771 CB GLN A 71 18.907 0.267 7.891 1.00 18.66 C ATOM 772 CG GLN A 71 20.406 0.017 7.998 1.00 20.46 C ATOM 773 CD GLN A 71 20.733 -1.370 8.567 1.00 24.02 C ATOM 774 OE1 GLN A 71 20.224 -2.396 8.091 1.00 27.23 O ATOM 775 NE2 GLN A 71 21.586 -1.404 9.581 1.00 24.90 N ATOM 776 HA GLN A 71 18.992 1.495 6.143 1.00 0.00 H ATOM 777 HB2 GLN A 71 18.504 0.345 8.901 1.00 0.00 H ATOM 778 HB3 GLN A 71 18.456 -0.588 7.386 1.00 0.00 H ATOM 779 HG2 GLN A 71 20.846 0.100 7.004 1.00 0.00 H ATOM 780 HG3 GLN A 71 20.841 0.774 8.651 1.00 0.00 H ATOM 781 HE22 GLN A 71 21.990 -0.520 9.950 1.00 0.00 H ATOM 782 HE21 GLN A 71 21.851 -2.315 10.007 1.00 0.00 H ATOM 783 H GLN A 71 18.713 2.824 8.847 1.00 0.00 H ATOM 784 N GLN A 72 16.541 2.260 5.893 1.00 16.37 N ATOM 785 CA GLN A 72 15.133 2.671 5.769 1.00 15.57 C ATOM 786 C GLN A 72 14.145 1.543 5.457 1.00 14.94 C ATOM 787 O GLN A 72 12.936 1.782 5.426 1.00 14.89 O ATOM 788 CB GLN A 72 14.991 3.847 4.776 1.00 15.48 C ATOM 789 CG GLN A 72 15.866 5.052 5.160 1.00 15.42 C ATOM 790 CD GLN A 72 15.383 6.404 4.659 1.00 16.22 C ATOM 791 OE1 GLN A 72 14.495 6.508 3.811 1.00 14.89 O ATOM 792 NE2 GLN A 72 15.987 7.465 5.191 1.00 16.99 N ATOM 793 HA GLN A 72 14.846 3.005 6.766 1.00 0.00 H ATOM 794 HB2 GLN A 72 15.284 3.504 3.784 1.00 0.00 H ATOM 795 HB3 GLN A 72 13.948 4.164 4.756 1.00 0.00 H ATOM 796 HG2 GLN A 72 15.917 5.096 6.248 1.00 0.00 H ATOM 797 HG3 GLN A 72 16.865 4.883 4.758 1.00 0.00 H ATOM 798 HE22 GLN A 72 16.732 7.336 5.905 1.00 0.00 H ATOM 799 HE21 GLN A 72 15.713 8.423 4.893 1.00 0.00 H ATOM 800 H GLN A 72 17.201 2.484 5.121 1.00 0.00 H ATOM 801 N HIS A 73 14.644 0.324 5.244 1.00 14.67 N ATOM 802 CA HIS A 73 13.779 -0.871 5.219 1.00 14.30 C ATOM 803 C HIS A 73 13.262 -1.267 6.607 1.00 13.52 C ATOM 804 O HIS A 73 12.307 -2.038 6.714 1.00 13.05 O ATOM 805 CB HIS A 73 14.472 -2.071 4.556 1.00 14.36 C ATOM 806 CG HIS A 73 15.622 -2.633 5.337 1.00 15.77 C ATOM 807 ND1 HIS A 73 15.523 -3.797 6.068 1.00 17.14 N ATOM 808 CD2 HIS A 73 16.900 -2.205 5.485 1.00 16.25 C ATOM 809 CE1 HIS A 73 16.688 -4.061 6.633 1.00 16.83 C ATOM 810 NE2 HIS A 73 17.539 -3.110 6.299 1.00 17.68 N ATOM 811 HA HIS A 73 12.917 -0.588 4.615 1.00 0.00 H ATOM 812 HB2 HIS A 73 13.733 -2.861 4.422 1.00 0.00 H ATOM 813 HB3 HIS A 73 14.844 -1.754 3.582 1.00 0.00 H ATOM 814 HD2 HIS A 73 17.339 -1.311 5.042 1.00 0.00 H ATOM 815 HE1 HIS A 73 16.908 -4.919 7.268 1.00 0.00 H ATOM 816 H HIS A 73 15.667 0.214 5.092 1.00 0.00 H ATOM 817 N ILE A 74 13.881 -0.745 7.669 1.00 13.16 N ATOM 818 CA ILE A 74 13.466 -1.098 9.020 1.00 12.79 C ATOM 819 C ILE A 74 12.441 -0.112 9.534 1.00 12.77 C ATOM 820 O ILE A 74 12.706 1.085 9.593 1.00 12.56 O ATOM 821 CB ILE A 74 14.642 -1.160 10.011 1.00 12.77 C ATOM 822 CG1 ILE A 74 15.666 -2.196 9.543 1.00 13.06 C ATOM 823 CG2 ILE A 74 14.136 -1.513 11.438 1.00 11.90 C ATOM 824 CD1 ILE A 74 16.923 -2.249 10.386 1.00 12.93 C ATOM 825 HA ILE A 74 13.032 -2.096 8.954 1.00 0.00 H ATOM 826 HB ILE A 74 15.119 -0.180 10.047 1.00 0.00 H ATOM 827 HG12 ILE A 74 15.195 -3.179 9.568 1.00 0.00 H ATOM 828 HG13 ILE A 74 15.951 -1.957 8.518 1.00 0.00 H ATOM 829 HD11 ILE A 74 17.416 -1.277 10.363 1.00 0.00 H ATOM 830 HD12 ILE A 74 16.660 -2.500 11.414 1.00 0.00 H ATOM 831 HD13 ILE A 74 17.595 -3.008 9.986 1.00 0.00 H ATOM 832 HG21 ILE A 74 13.432 -0.751 11.771 1.00 0.00 H ATOM 833 HG22 ILE A 74 13.640 -2.483 11.416 1.00 0.00 H ATOM 834 HG23 ILE A 74 14.983 -1.552 12.123 1.00 0.00 H ATOM 835 H ILE A 74 14.668 -0.079 7.530 1.00 0.00 H ATOM 836 N VAL A 75 11.287 -0.628 9.942 1.00 12.92 N ATOM 837 CA VAL A 75 10.230 0.197 10.528 1.00 13.21 C ATOM 838 C VAL A 75 10.057 -0.148 11.996 1.00 13.37 C ATOM 839 O VAL A 75 9.824 -1.303 12.329 1.00 13.41 O ATOM 840 CB VAL A 75 8.883 -0.017 9.806 1.00 13.11 C ATOM 841 CG1 VAL A 75 7.778 0.799 10.488 1.00 12.73 C ATOM 842 CG2 VAL A 75 9.022 0.335 8.335 1.00 13.12 C ATOM 843 HA VAL A 75 10.527 1.240 10.417 1.00 0.00 H ATOM 844 HB VAL A 75 8.599 -1.067 9.871 1.00 0.00 H ATOM 845 HG11 VAL A 75 7.681 0.480 11.526 1.00 0.00 H ATOM 846 HG12 VAL A 75 8.036 1.857 10.454 1.00 0.00 H ATOM 847 HG13 VAL A 75 6.834 0.637 9.967 1.00 0.00 H ATOM 848 HG21 VAL A 75 9.320 1.379 8.239 1.00 0.00 H ATOM 849 HG22 VAL A 75 9.779 -0.303 7.880 1.00 0.00 H ATOM 850 HG23 VAL A 75 8.066 0.181 7.834 1.00 0.00 H ATOM 851 H VAL A 75 11.130 -1.651 9.842 1.00 0.00 H ATOM 852 N TYR A 76 10.181 0.862 12.858 1.00 13.75 N ATOM 853 CA TYR A 76 9.954 0.722 14.280 1.00 14.04 C ATOM 854 C TYR A 76 8.554 1.229 14.634 1.00 14.48 C ATOM 855 O TYR A 76 8.199 2.363 14.328 1.00 15.16 O ATOM 856 CB TYR A 76 10.972 1.544 15.061 1.00 14.27 C ATOM 857 CG TYR A 76 12.412 1.265 14.723 1.00 14.60 C ATOM 858 CD1 TYR A 76 12.989 0.031 15.007 1.00 15.16 C ATOM 859 CD2 TYR A 76 13.205 2.245 14.148 1.00 15.09 C ATOM 860 CE1 TYR A 76 14.320 -0.218 14.719 1.00 15.11 C ATOM 861 CE2 TYR A 76 14.520 2.005 13.858 1.00 15.30 C ATOM 862 CZ TYR A 76 15.081 0.773 14.140 1.00 14.72 C ATOM 863 OH TYR A 76 16.405 0.540 13.847 1.00 14.55 O ATOM 864 HA TYR A 76 10.052 -0.332 14.540 1.00 0.00 H ATOM 865 HB3 TYR A 76 10.828 1.340 16.122 1.00 0.00 H ATOM 866 HB2 TYR A 76 10.777 2.598 14.865 1.00 0.00 H ATOM 867 HD2 TYR A 76 12.775 3.221 13.924 1.00 0.00 H ATOM 868 HE2 TYR A 76 15.128 2.787 13.403 1.00 0.00 H ATOM 869 HE1 TYR A 76 14.761 -1.188 14.948 1.00 0.00 H ATOM 870 HD1 TYR A 76 12.383 -0.752 15.463 1.00 0.00 H ATOM 871 HH TYR A 76 16.552 0.655 12.875 1.00 0.00 H ATOM 872 H TYR A 76 10.454 1.796 12.490 1.00 0.00 H ATOM 873 N CYS A 77 7.758 0.405 15.295 1.00 14.90 N ATOM 874 CA CYS A 77 6.389 0.810 15.585 1.00 15.23 C ATOM 875 C CYS A 77 5.887 0.427 16.974 1.00 15.31 C ATOM 876 O CYS A 77 4.678 0.429 17.195 1.00 15.33 O ATOM 877 CB CYS A 77 5.459 0.280 14.493 1.00 15.05 C ATOM 878 SG CYS A 77 5.679 -1.438 14.052 1.00 16.20 S ATOM 879 HA CYS A 77 6.386 1.900 15.589 1.00 0.00 H ATOM 880 HB2 CYS A 77 5.619 0.879 13.597 1.00 0.00 H ATOM 881 HB3 CYS A 77 4.432 0.409 14.836 1.00 0.00 H ATOM 882 HG CYS A 77 5.461 -2.228 15.163 1.00 0.00 H ATOM 883 H CYS A 77 8.107 -0.524 15.605 1.00 0.00 H ATOM 884 N SER A 78 6.792 0.149 17.919 1.00 15.79 N ATOM 885 CA SER A 78 6.358 -0.237 19.269 1.00 16.49 C ATOM 886 C SER A 78 5.703 0.902 20.053 1.00 16.40 C ATOM 887 O SER A 78 4.979 0.640 21.009 1.00 16.92 O ATOM 888 CB SER A 78 7.487 -0.866 20.093 1.00 16.37 C ATOM 889 OG SER A 78 8.543 0.038 20.302 1.00 19.08 O ATOM 890 HA SER A 78 5.592 -0.994 19.102 1.00 0.00 H ATOM 891 HB2 SER A 78 7.868 -1.739 19.563 1.00 0.00 H ATOM 892 HB3 SER A 78 7.089 -1.175 21.060 1.00 0.00 H ATOM 893 HG SER A 78 8.913 0.319 19.428 1.00 0.00 H ATOM 894 H SER A 78 7.807 0.206 17.698 1.00 0.00 H ATOM 895 N ASN A 79 5.954 2.156 19.677 1.00 16.01 N ATOM 896 CA ASN A 79 5.272 3.282 20.323 1.00 15.80 C ATOM 897 C ASN A 79 4.323 3.987 19.366 1.00 15.82 C ATOM 898 O ASN A 79 4.060 5.187 19.505 1.00 15.99 O ATOM 899 CB ASN A 79 6.281 4.290 20.892 1.00 16.16 C ATOM 900 CG ASN A 79 5.669 5.178 21.966 1.00 15.31 C ATOM 901 HA ASN A 79 4.687 2.868 21.144 1.00 0.00 H ATOM 902 HB2 ASN A 79 7.118 3.742 21.325 1.00 0.00 H ATOM 903 HB3 ASN A 79 6.643 4.921 20.080 1.00 0.00 H ATOM 904 H ASN A 79 6.641 2.338 18.917 1.00 0.00 H ATOM 905 N ASP A 80 3.816 3.244 18.386 1.00 15.40 N ATOM 906 CA ASP A 80 2.868 3.787 17.423 1.00 15.20 C ATOM 907 C ASP A 80 1.648 2.880 17.304 1.00 14.70 C ATOM 908 O ASP A 80 1.733 1.683 17.579 1.00 14.42 O ATOM 909 CB ASP A 80 3.532 3.946 16.052 1.00 15.27 C ATOM 910 CG ASP A 80 2.722 4.812 15.118 1.00 16.36 C ATOM 911 OD1 ASP A 80 3.017 6.019 15.055 1.00 17.65 O ATOM 912 OD2 ASP A 80 1.781 4.295 14.471 1.00 15.05 O ATOM 913 HA ASP A 80 2.546 4.766 17.777 1.00 0.00 H ATOM 914 HB2 ASP A 80 4.513 4.400 16.188 1.00 0.00 H ATOM 915 HB3 ASP A 80 3.649 2.960 15.603 1.00 0.00 H ATOM 916 H ASP A 80 4.104 2.248 18.305 1.00 0.00 H ATOM 917 N LEU A 81 0.520 3.470 16.901 1.00 14.46 N ATOM 918 CA LEU A 81 -0.713 2.722 16.602 1.00 14.58 C ATOM 919 C LEU A 81 -0.454 1.560 15.637 1.00 13.86 C ATOM 920 O LEU A 81 -1.099 0.515 15.735 1.00 13.41 O ATOM 921 CB LEU A 81 -1.788 3.668 16.036 1.00 14.98 C ATOM 922 CG LEU A 81 -2.782 3.112 15.002 1.00 16.81 C ATOM 923 CD2 LEU A 81 -3.288 4.226 14.046 1.00 19.93 C ATOM 924 HA LEU A 81 -1.075 2.294 17.537 1.00 0.00 H ATOM 925 HB2 LEU A 81 -2.372 4.034 16.880 1.00 0.00 H ATOM 926 HB3 LEU A 81 -1.268 4.503 15.567 1.00 0.00 H ATOM 927 HG LEU A 81 -2.288 2.338 14.415 1.00 0.00 H ATOM 928 HD21 LEU A 81 -3.789 5.001 14.626 1.00 0.00 H ATOM 929 HD22 LEU A 81 -2.441 4.659 13.514 1.00 0.00 H ATOM 930 HD23 LEU A 81 -3.988 3.797 13.329 1.00 0.00 H ATOM 931 H LEU A 81 0.512 4.504 16.793 1.00 0.00 H ATOM 932 N LEU A 82 0.489 1.751 14.711 1.00 13.44 N ATOM 933 CA LEU A 82 0.840 0.725 13.728 1.00 12.80 C ATOM 934 C LEU A 82 1.311 -0.575 14.395 1.00 12.90 C ATOM 935 O LEU A 82 0.983 -1.665 13.928 1.00 12.48 O ATOM 936 CB LEU A 82 1.892 1.244 12.749 1.00 12.44 C ATOM 937 CG LEU A 82 2.313 0.249 11.650 1.00 12.58 C ATOM 938 CD1 LEU A 82 1.104 -0.204 10.838 1.00 13.35 C ATOM 939 CD2 LEU A 82 3.403 0.808 10.749 1.00 10.99 C ATOM 940 HA LEU A 82 -0.067 0.492 13.170 1.00 0.00 H ATOM 941 HB2 LEU A 82 1.491 2.134 12.263 1.00 0.00 H ATOM 942 HB3 LEU A 82 2.781 1.512 13.320 1.00 0.00 H ATOM 943 HG LEU A 82 2.737 -0.621 12.150 1.00 0.00 H ATOM 944 HD21 LEU A 82 3.042 1.714 10.263 1.00 0.00 H ATOM 945 HD22 LEU A 82 4.283 1.042 11.348 1.00 0.00 H ATOM 946 HD23 LEU A 82 3.663 0.067 9.993 1.00 0.00 H ATOM 947 HD11 LEU A 82 0.386 -0.691 11.498 1.00 0.00 H ATOM 948 HD12 LEU A 82 0.638 0.662 10.369 1.00 0.00 H ATOM 949 HD13 LEU A 82 1.427 -0.906 10.069 1.00 0.00 H ATOM 950 H LEU A 82 0.992 2.661 14.687 1.00 0.00 H ATOM 951 N GLY A 83 2.067 -0.453 15.484 1.00 13.06 N ATOM 952 CA GLY A 83 2.462 -1.604 16.291 1.00 13.54 C ATOM 953 C GLY A 83 1.277 -2.320 16.912 1.00 13.88 C ATOM 954 O GLY A 83 1.260 -3.543 16.997 1.00 14.03 O ATOM 955 HA3 GLY A 83 3.120 -1.261 17.090 1.00 0.00 H ATOM 956 HA2 GLY A 83 3.000 -2.307 15.656 1.00 0.00 H ATOM 957 H GLY A 83 2.387 0.494 15.770 1.00 0.00 H ATOM 958 N ASP A 84 0.281 -1.559 17.353 1.00 14.55 N ATOM 959 CA ASP A 84 -0.951 -2.151 17.885 1.00 15.19 C ATOM 960 C ASP A 84 -1.779 -2.819 16.798 1.00 15.25 C ATOM 961 O ASP A 84 -2.467 -3.794 17.070 1.00 15.82 O ATOM 962 CB ASP A 84 -1.793 -1.101 18.602 1.00 15.26 C ATOM 963 CG ASP A 84 -1.048 -0.470 19.761 1.00 16.82 C ATOM 964 OD1 ASP A 84 -0.636 0.700 19.617 1.00 17.51 O ATOM 965 OD2 ASP A 84 -0.839 -1.163 20.788 1.00 19.87 O ATOM 966 HA ASP A 84 -0.650 -2.918 18.598 1.00 0.00 H ATOM 967 HB2 ASP A 84 -2.064 -0.321 17.891 1.00 0.00 H ATOM 968 HB3 ASP A 84 -2.698 -1.575 18.981 1.00 0.00 H ATOM 969 H ASP A 84 0.377 -0.524 17.320 1.00 0.00 H ATOM 970 N LEU A 85 -1.711 -2.283 15.582 1.00 15.10 N ATOM 971 CA LEU A 85 -2.382 -2.859 14.420 1.00 15.35 C ATOM 972 C LEU A 85 -1.722 -4.169 13.980 1.00 15.02 C ATOM 973 O LEU A 85 -2.385 -5.174 13.790 1.00 14.56 O ATOM 974 CB LEU A 85 -2.344 -1.852 13.260 1.00 15.79 C ATOM 975 CG LEU A 85 -3.164 -2.127 12.000 1.00 17.12 C ATOM 976 CD1 LEU A 85 -4.649 -2.055 12.338 1.00 18.75 C ATOM 977 CD2 LEU A 85 -2.816 -1.097 10.918 1.00 18.32 C ATOM 978 HA LEU A 85 -3.413 -3.078 14.698 1.00 0.00 H ATOM 979 HB2 LEU A 85 -2.684 -0.896 13.658 1.00 0.00 H ATOM 980 HB3 LEU A 85 -1.303 -1.765 12.949 1.00 0.00 H ATOM 981 HG LEU A 85 -2.931 -3.123 11.623 1.00 0.00 H ATOM 982 HD21 LEU A 85 -3.043 -0.096 11.285 1.00 0.00 H ATOM 983 HD22 LEU A 85 -1.755 -1.166 10.680 1.00 0.00 H ATOM 984 HD23 LEU A 85 -3.404 -1.299 10.023 1.00 0.00 H ATOM 985 HD11 LEU A 85 -4.884 -2.801 13.097 1.00 0.00 H ATOM 986 HD12 LEU A 85 -4.886 -1.061 12.718 1.00 0.00 H ATOM 987 HD13 LEU A 85 -5.235 -2.251 11.440 1.00 0.00 H ATOM 988 H LEU A 85 -1.154 -1.414 15.453 1.00 0.00 H ATOM 989 N PHE A 86 -0.403 -4.141 13.836 1.00 15.10 N ATOM 990 CA PHE A 86 0.346 -5.270 13.288 1.00 14.95 C ATOM 991 C PHE A 86 0.731 -6.278 14.351 1.00 14.77 C ATOM 992 O PHE A 86 1.061 -7.408 14.021 1.00 15.10 O ATOM 993 CB PHE A 86 1.612 -4.760 12.591 1.00 14.72 C ATOM 994 CG PHE A 86 1.391 -4.251 11.189 1.00 14.31 C ATOM 995 CD1 PHE A 86 0.114 -4.000 10.688 1.00 15.50 C ATOM 996 CD2 PHE A 86 2.483 -4.006 10.368 1.00 14.79 C ATOM 997 CE1 PHE A 86 -0.064 -3.534 9.391 1.00 15.17 C ATOM 998 CE2 PHE A 86 2.316 -3.536 9.070 1.00 15.15 C ATOM 999 CZ PHE A 86 1.036 -3.294 8.580 1.00 15.60 C ATOM 1000 HA PHE A 86 -0.305 -5.775 12.574 1.00 0.00 H ATOM 1001 HB2 PHE A 86 2.026 -3.947 13.188 1.00 0.00 H ATOM 1002 HB3 PHE A 86 2.330 -5.579 12.547 1.00 0.00 H ATOM 1003 HD2 PHE A 86 3.489 -4.185 10.747 1.00 0.00 H ATOM 1004 HE2 PHE A 86 3.186 -3.357 8.438 1.00 0.00 H ATOM 1005 HZ PHE A 86 0.899 -2.918 7.566 1.00 0.00 H ATOM 1006 HE1 PHE A 86 -1.070 -3.357 9.010 1.00 0.00 H ATOM 1007 HD1 PHE A 86 -0.756 -4.172 11.322 1.00 0.00 H ATOM 1008 H PHE A 86 0.115 -3.286 14.123 1.00 0.00 H ATOM 1009 N GLY A 87 0.727 -5.861 15.617 1.00 14.57 N ATOM 1010 CA GLY A 87 1.088 -6.733 16.733 1.00 14.46 C ATOM 1011 C GLY A 87 2.569 -7.094 16.771 1.00 14.31 C ATOM 1012 O GLY A 87 2.940 -8.176 17.229 1.00 14.41 O ATOM 1013 HA3 GLY A 87 0.510 -7.654 16.652 1.00 0.00 H ATOM 1014 HA2 GLY A 87 0.833 -6.226 17.663 1.00 0.00 H ATOM 1015 H GLY A 87 0.457 -4.877 15.818 1.00 0.00 H ATOM 1016 N VAL A 88 3.408 -6.189 16.269 1.00 14.12 N ATOM 1017 CA VAL A 88 4.857 -6.345 16.277 1.00 13.60 C ATOM 1018 C VAL A 88 5.494 -5.023 16.699 1.00 13.34 C ATOM 1019 O VAL A 88 4.909 -3.963 16.483 1.00 13.47 O ATOM 1020 CB VAL A 88 5.408 -6.747 14.890 1.00 13.74 C ATOM 1021 CG1 VAL A 88 4.926 -8.145 14.500 1.00 13.94 C ATOM 1022 CG2 VAL A 88 5.014 -5.708 13.827 1.00 13.44 C ATOM 1023 HA VAL A 88 5.104 -7.142 16.978 1.00 0.00 H ATOM 1024 HB VAL A 88 6.496 -6.772 14.947 1.00 0.00 H ATOM 1025 HG11 VAL A 88 5.272 -8.867 15.240 1.00 0.00 H ATOM 1026 HG12 VAL A 88 3.837 -8.155 14.463 1.00 0.00 H ATOM 1027 HG13 VAL A 88 5.327 -8.406 13.520 1.00 0.00 H ATOM 1028 HG21 VAL A 88 3.927 -5.643 13.770 1.00 0.00 H ATOM 1029 HG22 VAL A 88 5.424 -4.736 14.101 1.00 0.00 H ATOM 1030 HG23 VAL A 88 5.412 -6.011 12.859 1.00 0.00 H ATOM 1031 H VAL A 88 3.008 -5.326 15.849 1.00 0.00 H ATOM 1032 N PRO A 89 6.679 -5.085 17.336 1.00 12.82 N ATOM 1033 CA PRO A 89 7.423 -3.876 17.691 1.00 12.85 C ATOM 1034 C PRO A 89 8.173 -3.244 16.515 1.00 12.17 C ATOM 1035 O PRO A 89 8.566 -2.086 16.591 1.00 11.67 O ATOM 1036 CB PRO A 89 8.426 -4.377 18.742 1.00 12.91 C ATOM 1037 CG PRO A 89 8.657 -5.794 18.397 1.00 12.99 C ATOM 1038 CD PRO A 89 7.295 -6.291 17.921 1.00 13.30 C ATOM 1039 HA PRO A 89 6.750 -3.091 18.038 1.00 0.00 H ATOM 1040 HD3 PRO A 89 7.405 -7.076 17.173 1.00 0.00 H ATOM 1041 HD2 PRO A 89 6.703 -6.667 18.755 1.00 0.00 H ATOM 1042 HG3 PRO A 89 8.990 -6.355 19.270 1.00 0.00 H ATOM 1043 HG2 PRO A 89 9.400 -5.883 17.604 1.00 0.00 H ATOM 1044 HB2 PRO A 89 9.356 -3.811 18.686 1.00 0.00 H ATOM 1045 HB3 PRO A 89 8.008 -4.289 19.745 1.00 0.00 H ATOM 1046 N SER A 90 8.381 -4.029 15.463 1.00 11.99 N ATOM 1047 CA SER A 90 9.145 -3.625 14.301 1.00 12.27 C ATOM 1048 C SER A 90 8.933 -4.646 13.191 1.00 12.40 C ATOM 1049 O SER A 90 8.485 -5.769 13.442 1.00 12.57 O ATOM 1050 CB SER A 90 10.637 -3.554 14.635 1.00 12.27 C ATOM 1051 OG SER A 90 11.126 -4.824 15.038 1.00 13.38 O ATOM 1052 HA SER A 90 8.808 -2.638 13.982 1.00 0.00 H ATOM 1053 HB2 SER A 90 10.788 -2.840 15.444 1.00 0.00 H ATOM 1054 HB3 SER A 90 11.185 -3.223 13.753 1.00 0.00 H ATOM 1055 HG SER A 90 12.091 -4.753 15.248 1.00 0.00 H ATOM 1056 H SER A 90 7.973 -4.986 15.475 1.00 0.00 H ATOM 1057 N PHE A 91 9.255 -4.247 11.967 1.00 12.49 N ATOM 1058 CA PHE A 91 9.303 -5.178 10.852 1.00 12.87 C ATOM 1059 C PHE A 91 10.175 -4.590 9.752 1.00 12.97 C ATOM 1060 O PHE A 91 10.595 -3.435 9.831 1.00 13.05 O ATOM 1061 CB PHE A 91 7.889 -5.504 10.339 1.00 13.08 C ATOM 1062 CG PHE A 91 7.165 -4.316 9.765 1.00 12.80 C ATOM 1063 CD1 PHE A 91 7.189 -4.071 8.397 1.00 12.95 C ATOM 1064 CD2 PHE A 91 6.489 -3.427 10.592 1.00 11.65 C ATOM 1065 CE1 PHE A 91 6.538 -2.961 7.857 1.00 11.88 C ATOM 1066 CE2 PHE A 91 5.837 -2.322 10.060 1.00 12.22 C ATOM 1067 CZ PHE A 91 5.859 -2.099 8.675 1.00 11.85 C ATOM 1068 HA PHE A 91 9.740 -6.119 11.186 1.00 0.00 H ATOM 1069 HB2 PHE A 91 7.971 -6.265 9.563 1.00 0.00 H ATOM 1070 HB3 PHE A 91 7.303 -5.896 11.170 1.00 0.00 H ATOM 1071 HD2 PHE A 91 6.470 -3.598 11.668 1.00 0.00 H ATOM 1072 HE2 PHE A 91 5.310 -1.630 10.717 1.00 0.00 H ATOM 1073 HZ PHE A 91 5.337 -1.241 8.251 1.00 0.00 H ATOM 1074 HE1 PHE A 91 6.570 -2.780 6.783 1.00 0.00 H ATOM 1075 HD1 PHE A 91 7.723 -4.755 7.737 1.00 0.00 H ATOM 1076 H PHE A 91 9.478 -3.245 11.802 1.00 0.00 H ATOM 1077 N SER A 92 10.468 -5.408 8.747 1.00 13.21 N ATOM 1078 CA SER A 92 11.228 -4.978 7.582 1.00 13.01 C ATOM 1079 C SER A 92 10.312 -4.852 6.363 1.00 13.49 C ATOM 1080 O SER A 92 9.459 -5.715 6.127 1.00 12.90 O ATOM 1081 CB SER A 92 12.357 -5.965 7.296 1.00 13.21 C ATOM 1082 OG SER A 92 12.943 -5.733 6.027 1.00 12.09 O ATOM 1083 HA SER A 92 11.662 -4.000 7.791 1.00 0.00 H ATOM 1084 HB2 SER A 92 11.956 -6.978 7.321 1.00 0.00 H ATOM 1085 HB3 SER A 92 13.123 -5.859 8.064 1.00 0.00 H ATOM 1086 HG SER A 92 13.669 -6.389 5.875 1.00 0.00 H ATOM 1087 H SER A 92 10.142 -6.394 8.794 1.00 0.00 H ATOM 1088 N VAL A 93 10.496 -3.775 5.595 1.00 14.22 N ATOM 1089 CA VAL A 93 9.700 -3.536 4.374 1.00 15.04 C ATOM 1090 C VAL A 93 9.892 -4.671 3.357 1.00 15.29 C ATOM 1091 O VAL A 93 9.030 -4.914 2.515 1.00 16.02 O ATOM 1092 CB VAL A 93 10.032 -2.162 3.709 1.00 14.92 C ATOM 1093 CG1 VAL A 93 9.239 -1.973 2.416 1.00 15.43 C ATOM 1094 CG2 VAL A 93 9.731 -1.005 4.663 1.00 14.49 C ATOM 1095 HA VAL A 93 8.656 -3.511 4.685 1.00 0.00 H ATOM 1096 HB VAL A 93 11.097 -2.163 3.476 1.00 0.00 H ATOM 1097 HG11 VAL A 93 9.491 -2.770 1.717 1.00 0.00 H ATOM 1098 HG12 VAL A 93 8.172 -2.006 2.637 1.00 0.00 H ATOM 1099 HG13 VAL A 93 9.490 -1.008 1.975 1.00 0.00 H ATOM 1100 HG21 VAL A 93 8.674 -1.020 4.928 1.00 0.00 H ATOM 1101 HG22 VAL A 93 10.334 -1.113 5.564 1.00 0.00 H ATOM 1102 HG23 VAL A 93 9.971 -0.061 4.174 1.00 0.00 H ATOM 1103 H VAL A 93 11.223 -3.082 5.865 1.00 0.00 H ATOM 1104 N LYS A 94 11.012 -5.374 3.464 1.00 15.90 N ATOM 1105 CA LYS A 94 11.309 -6.493 2.584 1.00 16.30 C ATOM 1106 C LYS A 94 10.504 -7.764 2.913 1.00 16.15 C ATOM 1107 O LYS A 94 10.444 -8.673 2.085 1.00 16.33 O ATOM 1108 CB LYS A 94 12.806 -6.783 2.604 1.00 16.44 C ATOM 1109 CG LYS A 94 13.672 -5.612 2.117 1.00 18.09 C ATOM 1110 HA LYS A 94 11.002 -6.196 1.581 1.00 0.00 H ATOM 1111 HB2 LYS A 94 13.096 -7.023 3.627 1.00 0.00 H ATOM 1112 HB3 LYS A 94 12.998 -7.643 1.962 1.00 0.00 H ATOM 1113 HG2 LYS A 94 13.404 -5.366 1.090 1.00 0.00 H ATOM 1114 HG3 LYS A 94 13.502 -4.745 2.756 1.00 0.00 H ATOM 1115 H LYS A 94 11.699 -5.117 4.201 1.00 0.00 H ATOM 1116 N GLU A 95 9.862 -7.829 4.082 1.00 16.01 N ATOM 1117 CA GLU A 95 9.051 -8.997 4.443 1.00 16.32 C ATOM 1118 C GLU A 95 7.683 -8.935 3.768 1.00 16.51 C ATOM 1119 O GLU A 95 6.667 -8.761 4.442 1.00 16.16 O ATOM 1120 CB GLU A 95 8.850 -9.090 5.962 1.00 16.78 C ATOM 1121 CG GLU A 95 10.117 -9.198 6.788 1.00 17.47 C ATOM 1122 CD GLU A 95 9.814 -9.187 8.279 1.00 19.96 C ATOM 1123 OE1 GLU A 95 9.924 -8.123 8.925 1.00 17.50 O ATOM 1124 OE2 GLU A 95 9.429 -10.252 8.808 1.00 23.83 O ATOM 1125 HA GLU A 95 9.590 -9.880 4.100 1.00 0.00 H ATOM 1126 HB2 GLU A 95 8.315 -8.197 6.284 1.00 0.00 H ATOM 1127 HB3 GLU A 95 8.241 -9.971 6.166 1.00 0.00 H ATOM 1128 HG2 GLU A 95 10.626 -10.129 6.537 1.00 0.00 H ATOM 1129 HG3 GLU A 95 10.767 -8.355 6.552 1.00 0.00 H ATOM 1130 H GLU A 95 9.938 -7.036 4.750 1.00 0.00 H ATOM 1131 N HIS A 96 7.651 -9.109 2.446 1.00 16.46 N ATOM 1132 CA HIS A 96 6.417 -8.867 1.680 1.00 17.06 C ATOM 1133 C HIS A 96 5.256 -9.743 2.185 1.00 16.77 C ATOM 1134 O HIS A 96 4.149 -9.233 2.412 1.00 16.70 O ATOM 1135 CB HIS A 96 6.658 -9.023 0.163 1.00 17.09 C ATOM 1136 CG HIS A 96 7.532 -7.949 -0.431 1.00 18.32 C ATOM 1137 ND1 HIS A 96 8.152 -6.981 0.333 1.00 21.20 N ATOM 1138 CD2 HIS A 96 7.910 -7.710 -1.710 1.00 18.41 C ATOM 1139 CE1 HIS A 96 8.857 -6.184 -0.450 1.00 20.20 C ATOM 1140 NE2 HIS A 96 8.737 -6.613 -1.693 1.00 21.70 N ATOM 1141 HA HIS A 96 6.119 -7.832 1.847 1.00 0.00 H ATOM 1142 HB2 HIS A 96 7.134 -9.988 -0.012 1.00 0.00 H ATOM 1143 HB3 HIS A 96 5.693 -8.998 -0.342 1.00 0.00 H ATOM 1144 HD2 HIS A 96 7.613 -8.282 -2.589 1.00 0.00 H ATOM 1145 HE1 HIS A 96 9.438 -5.321 -0.126 1.00 0.00 H ATOM 1146 H HIS A 96 8.510 -9.420 1.949 1.00 0.00 H ATOM 1147 N ARG A 97 5.516 -11.029 2.430 1.00 16.21 N ATOM 1148 CA ARG A 97 4.475 -11.925 2.936 1.00 16.32 C ATOM 1149 C ARG A 97 3.945 -11.491 4.309 1.00 16.03 C ATOM 1150 O ARG A 97 2.741 -11.380 4.508 1.00 15.66 O ATOM 1151 CB ARG A 97 4.958 -13.384 3.026 1.00 16.35 C ATOM 1152 CG ARG A 97 3.958 -14.332 3.712 1.00 17.07 C ATOM 1153 CD ARG A 97 4.463 -15.782 3.760 1.00 16.87 C ATOM 1154 HA ARG A 97 3.664 -11.862 2.211 1.00 0.00 H ATOM 1155 HB2 ARG A 97 5.139 -13.749 2.015 1.00 0.00 H ATOM 1156 HB3 ARG A 97 5.891 -13.403 3.590 1.00 0.00 H ATOM 1157 HG2 ARG A 97 3.790 -13.986 4.732 1.00 0.00 H ATOM 1158 HG3 ARG A 97 3.017 -14.307 3.162 1.00 0.00 H ATOM 1159 HD2 ARG A 97 4.626 -16.142 2.744 1.00 0.00 H ATOM 1160 HD3 ARG A 97 5.400 -15.821 4.316 1.00 0.00 H ATOM 1161 H ARG A 97 6.472 -11.400 2.259 1.00 0.00 H ATOM 1162 N LYS A 98 4.846 -11.273 5.259 1.00 15.55 N ATOM 1163 CA LYS A 98 4.418 -10.936 6.629 1.00 14.88 C ATOM 1164 C LYS A 98 3.640 -9.627 6.679 1.00 13.98 C ATOM 1165 O LYS A 98 2.671 -9.533 7.417 1.00 13.50 O ATOM 1166 CB LYS A 98 5.610 -10.891 7.583 1.00 14.77 C ATOM 1167 CG LYS A 98 6.157 -12.280 7.917 1.00 16.21 C ATOM 1168 CD LYS A 98 7.529 -12.203 8.588 1.00 15.73 C ATOM 1169 HA LYS A 98 3.745 -11.729 6.956 1.00 0.00 H ATOM 1170 HB2 LYS A 98 6.405 -10.306 7.120 1.00 0.00 H ATOM 1171 HB3 LYS A 98 5.297 -10.408 8.509 1.00 0.00 H ATOM 1172 HG2 LYS A 98 5.462 -12.781 8.591 1.00 0.00 H ATOM 1173 HG3 LYS A 98 6.246 -12.855 6.996 1.00 0.00 H ATOM 1174 HD2 LYS A 98 8.233 -11.709 7.918 1.00 0.00 H ATOM 1175 HD3 LYS A 98 7.448 -11.634 9.514 1.00 0.00 H ATOM 1176 H LYS A 98 5.860 -11.340 5.036 1.00 0.00 H ATOM 1177 N ILE A 99 4.045 -8.628 5.892 1.00 13.60 N ATOM 1178 CA ILE A 99 3.310 -7.343 5.848 1.00 13.03 C ATOM 1179 C ILE A 99 1.869 -7.551 5.364 1.00 13.10 C ATOM 1180 O ILE A 99 0.900 -7.059 5.977 1.00 12.23 O ATOM 1181 CB ILE A 99 4.007 -6.292 4.944 1.00 13.16 C ATOM 1182 CG1 ILE A 99 5.324 -5.831 5.567 1.00 13.15 C ATOM 1183 CG2 ILE A 99 3.065 -5.077 4.700 1.00 11.79 C ATOM 1184 CD1 ILE A 99 6.147 -4.898 4.660 1.00 14.32 C ATOM 1185 HA ILE A 99 3.303 -6.960 6.868 1.00 0.00 H ATOM 1186 HB ILE A 99 4.229 -6.758 3.984 1.00 0.00 H ATOM 1187 HG12 ILE A 99 5.100 -5.301 6.493 1.00 0.00 H ATOM 1188 HG13 ILE A 99 5.926 -6.712 5.791 1.00 0.00 H ATOM 1189 HD11 ILE A 99 6.391 -5.417 3.733 1.00 0.00 H ATOM 1190 HD12 ILE A 99 5.564 -4.005 4.435 1.00 0.00 H ATOM 1191 HD13 ILE A 99 7.067 -4.614 5.172 1.00 0.00 H ATOM 1192 HG21 ILE A 99 2.153 -5.419 4.210 1.00 0.00 H ATOM 1193 HG22 ILE A 99 2.815 -4.615 5.655 1.00 0.00 H ATOM 1194 HG23 ILE A 99 3.570 -4.350 4.064 1.00 0.00 H ATOM 1195 H ILE A 99 4.891 -8.754 5.300 1.00 0.00 H ATOM 1196 N TYR A 100 1.725 -8.285 4.262 1.00 13.06 N ATOM 1197 CA TYR A 100 0.389 -8.595 3.745 1.00 13.37 C ATOM 1198 C TYR A 100 -0.445 -9.390 4.737 1.00 13.05 C ATOM 1199 O TYR A 100 -1.632 -9.110 4.906 1.00 13.07 O ATOM 1200 CB TYR A 100 0.459 -9.323 2.406 1.00 13.33 C ATOM 1201 CG TYR A 100 0.500 -8.374 1.246 1.00 14.75 C ATOM 1202 CD1 TYR A 100 1.708 -8.016 0.657 1.00 17.67 C ATOM 1203 CD2 TYR A 100 -0.671 -7.812 0.744 1.00 16.73 C ATOM 1204 CE1 TYR A 100 1.752 -7.135 -0.409 1.00 19.33 C ATOM 1205 CE2 TYR A 100 -0.636 -6.916 -0.331 1.00 19.17 C ATOM 1206 CZ TYR A 100 0.579 -6.582 -0.901 1.00 20.81 C ATOM 1207 OH TYR A 100 0.636 -5.702 -1.975 1.00 23.56 O ATOM 1208 HA TYR A 100 -0.108 -7.637 3.590 1.00 0.00 H ATOM 1209 HB3 TYR A 100 -0.419 -9.961 2.307 1.00 0.00 H ATOM 1210 HB2 TYR A 100 1.358 -9.939 2.388 1.00 0.00 H ATOM 1211 HD2 TYR A 100 -1.628 -8.073 1.195 1.00 0.00 H ATOM 1212 HE2 TYR A 100 -1.560 -6.485 -0.716 1.00 0.00 H ATOM 1213 HE1 TYR A 100 2.709 -6.875 -0.862 1.00 0.00 H ATOM 1214 HD1 TYR A 100 2.637 -8.437 1.042 1.00 0.00 H ATOM 1215 HH TYR A 100 1.579 -5.580 -2.251 1.00 0.00 H ATOM 1216 H TYR A 100 2.566 -8.641 3.765 1.00 0.00 H ATOM 1217 N THR A 101 0.172 -10.367 5.396 1.00 12.72 N ATOM 1218 CA THR A 101 -0.514 -11.137 6.439 1.00 12.67 C ATOM 1219 C THR A 101 -1.015 -10.220 7.561 1.00 12.30 C ATOM 1220 O THR A 101 -2.154 -10.368 8.022 1.00 11.41 O ATOM 1221 CB THR A 101 0.391 -12.244 7.036 1.00 12.71 C ATOM 1222 OG1 THR A 101 0.772 -13.159 5.994 1.00 13.92 O ATOM 1223 CG2 THR A 101 -0.345 -13.016 8.121 1.00 13.39 C ATOM 1224 HA THR A 101 -1.367 -11.618 5.961 1.00 0.00 H ATOM 1225 HB THR A 101 1.272 -11.773 7.471 1.00 0.00 H ATOM 1226 HG1 THR A 101 1.267 -12.669 5.291 1.00 0.00 H ATOM 1227 HG23 THR A 101 -0.639 -12.331 8.917 1.00 0.00 H ATOM 1228 HG21 THR A 101 -1.233 -13.482 7.695 1.00 0.00 H ATOM 1229 HG22 THR A 101 0.312 -13.786 8.526 1.00 0.00 H ATOM 1230 H THR A 101 1.162 -10.590 5.167 1.00 0.00 H ATOM 1231 N MET A 102 -0.176 -9.263 7.975 1.00 11.75 N ATOM 1232 CA MET A 102 -0.536 -8.351 9.067 1.00 11.88 C ATOM 1233 C MET A 102 -1.629 -7.343 8.668 1.00 11.74 C ATOM 1234 O MET A 102 -2.465 -6.957 9.489 1.00 10.51 O ATOM 1235 CB MET A 102 0.710 -7.620 9.579 1.00 12.30 C ATOM 1236 CG MET A 102 1.705 -8.558 10.235 1.00 12.66 C ATOM 1237 SD MET A 102 3.116 -7.708 10.944 1.00 15.58 S ATOM 1238 CE MET A 102 3.974 -7.033 9.510 1.00 11.17 C ATOM 1239 HA MET A 102 -0.953 -8.962 9.868 1.00 0.00 H ATOM 1240 HB2 MET A 102 1.197 -7.127 8.738 1.00 0.00 H ATOM 1241 HB3 MET A 102 0.401 -6.871 10.309 1.00 0.00 H ATOM 1242 HG2 MET A 102 2.065 -9.261 9.484 1.00 0.00 H ATOM 1243 HG3 MET A 102 1.195 -9.105 11.028 1.00 0.00 H ATOM 1244 HE1 MET A 102 4.271 -7.847 8.849 1.00 0.00 H ATOM 1245 HE2 MET A 102 3.308 -6.355 8.976 1.00 0.00 H ATOM 1246 HE3 MET A 102 4.859 -6.490 9.840 1.00 0.00 H ATOM 1247 H MET A 102 0.751 -9.164 7.513 1.00 0.00 H ATOM 1248 N ILE A 103 -1.619 -6.929 7.407 1.00 11.94 N ATOM 1249 CA ILE A 103 -2.678 -6.089 6.859 1.00 12.36 C ATOM 1250 C ILE A 103 -3.997 -6.880 6.733 1.00 13.13 C ATOM 1251 O ILE A 103 -5.049 -6.386 7.160 1.00 13.43 O ATOM 1252 CB ILE A 103 -2.286 -5.501 5.472 1.00 12.42 C ATOM 1253 CG1 ILE A 103 -1.120 -4.520 5.592 1.00 13.12 C ATOM 1254 CG2 ILE A 103 -3.499 -4.808 4.804 1.00 11.98 C ATOM 1255 CD1 ILE A 103 -0.487 -4.156 4.238 1.00 11.54 C ATOM 1256 HA ILE A 103 -2.821 -5.262 7.554 1.00 0.00 H ATOM 1257 HB ILE A 103 -1.968 -6.333 4.843 1.00 0.00 H ATOM 1258 HG12 ILE A 103 -1.484 -3.606 6.061 1.00 0.00 H ATOM 1259 HG13 ILE A 103 -0.353 -4.970 6.223 1.00 0.00 H ATOM 1260 HD11 ILE A 103 -0.108 -5.060 3.761 1.00 0.00 H ATOM 1261 HD12 ILE A 103 -1.240 -3.695 3.599 1.00 0.00 H ATOM 1262 HD13 ILE A 103 0.334 -3.457 4.398 1.00 0.00 H ATOM 1263 HG21 ILE A 103 -4.299 -5.535 4.664 1.00 0.00 H ATOM 1264 HG22 ILE A 103 -3.850 -3.998 5.443 1.00 0.00 H ATOM 1265 HG23 ILE A 103 -3.199 -4.406 3.837 1.00 0.00 H ATOM 1266 H ILE A 103 -0.831 -7.213 6.790 1.00 0.00 H ATOM 1267 N TYR A 104 -3.946 -8.093 6.153 1.00 13.85 N ATOM 1268 CA TYR A 104 -5.163 -8.928 5.983 1.00 14.31 C ATOM 1269 C TYR A 104 -5.891 -9.249 7.287 1.00 15.01 C ATOM 1270 O TYR A 104 -7.119 -9.314 7.305 1.00 14.97 O ATOM 1271 CB TYR A 104 -4.874 -10.252 5.268 1.00 14.71 C ATOM 1272 CG TYR A 104 -4.509 -10.144 3.801 1.00 14.81 C ATOM 1273 CD1 TYR A 104 -3.565 -11.000 3.241 1.00 15.80 C ATOM 1274 CD2 TYR A 104 -5.104 -9.195 2.974 1.00 16.94 C ATOM 1275 CE1 TYR A 104 -3.220 -10.917 1.894 1.00 16.62 C ATOM 1276 CE2 TYR A 104 -4.756 -9.101 1.626 1.00 17.44 C ATOM 1277 CZ TYR A 104 -3.818 -9.966 1.099 1.00 16.43 C ATOM 1278 OH TYR A 104 -3.483 -9.868 -0.224 1.00 17.59 O ATOM 1279 HA TYR A 104 -5.812 -8.302 5.370 1.00 0.00 H ATOM 1280 HB3 TYR A 104 -5.764 -10.876 5.346 1.00 0.00 H ATOM 1281 HB2 TYR A 104 -4.046 -10.737 5.784 1.00 0.00 H ATOM 1282 HD2 TYR A 104 -5.852 -8.517 3.385 1.00 0.00 H ATOM 1283 HE2 TYR A 104 -5.223 -8.348 0.992 1.00 0.00 H ATOM 1284 HE1 TYR A 104 -2.482 -11.600 1.473 1.00 0.00 H ATOM 1285 HD1 TYR A 104 -3.086 -11.751 3.869 1.00 0.00 H ATOM 1286 HH TYR A 104 -3.115 -8.967 -0.404 1.00 0.00 H ATOM 1287 H TYR A 104 -3.032 -8.455 5.815 1.00 0.00 H ATOM 1288 N ARG A 105 -5.145 -9.441 8.373 1.00 15.26 N ATOM 1289 CA ARG A 105 -5.755 -9.648 9.689 1.00 16.10 C ATOM 1290 C ARG A 105 -6.661 -8.475 10.106 1.00 15.76 C ATOM 1291 O ARG A 105 -7.532 -8.647 10.956 1.00 16.15 O ATOM 1292 CB ARG A 105 -4.686 -9.874 10.772 1.00 16.44 C ATOM 1293 CG ARG A 105 -4.191 -11.324 10.879 1.00 18.47 C ATOM 1294 CD ARG A 105 -3.297 -11.518 12.127 1.00 20.18 C ATOM 1295 HA ARG A 105 -6.373 -10.542 9.598 1.00 0.00 H ATOM 1296 HB2 ARG A 105 -3.831 -9.237 10.546 1.00 0.00 H ATOM 1297 HB3 ARG A 105 -5.108 -9.585 11.734 1.00 0.00 H ATOM 1298 HG2 ARG A 105 -5.051 -11.990 10.950 1.00 0.00 H ATOM 1299 HG3 ARG A 105 -3.615 -11.571 9.987 1.00 0.00 H ATOM 1300 HD2 ARG A 105 -2.432 -10.858 12.059 1.00 0.00 H ATOM 1301 HD3 ARG A 105 -3.869 -11.278 13.023 1.00 0.00 H ATOM 1302 H ARG A 105 -4.109 -9.444 8.285 1.00 0.00 H ATOM 1303 N ASN A 106 -6.448 -7.301 9.511 1.00 15.23 N ATOM 1304 CA ASN A 106 -7.152 -6.079 9.902 1.00 15.48 C ATOM 1305 C ASN A 106 -8.191 -5.610 8.894 1.00 15.01 C ATOM 1306 O ASN A 106 -8.609 -4.453 8.920 1.00 15.12 O ATOM 1307 CB ASN A 106 -6.135 -4.963 10.132 1.00 15.26 C ATOM 1308 CG ASN A 106 -5.316 -5.199 11.353 1.00 16.64 C ATOM 1309 OD1 ASN A 106 -4.140 -5.581 11.273 1.00 17.96 O ATOM 1310 ND2 ASN A 106 -5.936 -5.024 12.508 1.00 15.75 N ATOM 1311 HA ASN A 106 -7.696 -6.318 10.816 1.00 0.00 H ATOM 1312 HB2 ASN A 106 -5.472 -4.907 9.269 1.00 0.00 H ATOM 1313 HB3 ASN A 106 -6.667 -4.018 10.242 1.00 0.00 H ATOM 1314 HD22 ASN A 106 -6.925 -4.702 12.524 1.00 0.00 H ATOM 1315 HD21 ASN A 106 -5.435 -5.209 13.400 1.00 0.00 H ATOM 1316 H ASN A 106 -5.754 -7.252 8.738 1.00 0.00 H ATOM 1317 N LEU A 107 -8.593 -6.502 8.005 1.00 14.93 N ATOM 1318 CA LEU A 107 -9.640 -6.191 7.036 1.00 15.19 C ATOM 1319 C LEU A 107 -10.434 -7.436 6.662 1.00 15.47 C ATOM 1320 O LEU A 107 -10.048 -8.559 6.994 1.00 14.63 O ATOM 1321 CB LEU A 107 -9.050 -5.498 5.799 1.00 14.71 C ATOM 1322 CG LEU A 107 -7.899 -6.153 5.032 1.00 14.70 C ATOM 1323 CD1 LEU A 107 -8.412 -7.178 4.048 1.00 16.16 C ATOM 1324 CD2 LEU A 107 -7.089 -5.100 4.293 1.00 14.67 C ATOM 1325 HA LEU A 107 -10.337 -5.495 7.502 1.00 0.00 H ATOM 1326 HB2 LEU A 107 -9.868 -5.369 5.090 1.00 0.00 H ATOM 1327 HB3 LEU A 107 -8.695 -4.520 6.125 1.00 0.00 H ATOM 1328 HG LEU A 107 -7.261 -6.657 5.758 1.00 0.00 H ATOM 1329 HD21 LEU A 107 -7.734 -4.576 3.588 1.00 0.00 H ATOM 1330 HD22 LEU A 107 -6.680 -4.389 5.010 1.00 0.00 H ATOM 1331 HD23 LEU A 107 -6.275 -5.583 3.753 1.00 0.00 H ATOM 1332 HD11 LEU A 107 -8.959 -7.953 4.585 1.00 0.00 H ATOM 1333 HD12 LEU A 107 -9.076 -6.693 3.333 1.00 0.00 H ATOM 1334 HD13 LEU A 107 -7.570 -7.625 3.519 1.00 0.00 H ATOM 1335 H LEU A 107 -8.154 -7.445 7.996 1.00 0.00 H ATOM 1336 N VAL A 108 -11.570 -7.206 6.011 1.00 16.41 N ATOM 1337 CA VAL A 108 -12.371 -8.266 5.423 1.00 17.28 C ATOM 1338 C VAL A 108 -12.428 -8.053 3.916 1.00 18.24 C ATOM 1339 O VAL A 108 -12.698 -6.940 3.450 1.00 17.33 O ATOM 1340 CB VAL A 108 -13.788 -8.264 5.980 1.00 17.33 C ATOM 1341 CG1 VAL A 108 -14.650 -9.295 5.224 1.00 18.28 C ATOM 1342 CG2 VAL A 108 -13.756 -8.555 7.483 1.00 17.90 C ATOM 1343 HA VAL A 108 -11.912 -9.225 5.664 1.00 0.00 H ATOM 1344 HB VAL A 108 -14.237 -7.281 5.837 1.00 0.00 H ATOM 1345 HG11 VAL A 108 -14.679 -9.036 4.165 1.00 0.00 H ATOM 1346 HG12 VAL A 108 -14.217 -10.288 5.345 1.00 0.00 H ATOM 1347 HG13 VAL A 108 -15.662 -9.287 5.629 1.00 0.00 H ATOM 1348 HG21 VAL A 108 -13.303 -9.532 7.653 1.00 0.00 H ATOM 1349 HG22 VAL A 108 -13.169 -7.788 7.988 1.00 0.00 H ATOM 1350 HG23 VAL A 108 -14.773 -8.552 7.874 1.00 0.00 H ATOM 1351 H VAL A 108 -11.900 -6.224 5.919 1.00 0.00 H ATOM 1352 N VAL A 109 -12.159 -9.114 3.163 1.00 19.90 N ATOM 1353 CA VAL A 109 -12.213 -9.055 1.705 1.00 21.56 C ATOM 1354 C VAL A 109 -13.659 -9.009 1.212 1.00 22.96 C ATOM 1355 O VAL A 109 -14.525 -9.758 1.684 1.00 23.56 O ATOM 1356 CB VAL A 109 -11.456 -10.221 1.045 1.00 21.45 C ATOM 1357 CG1 VAL A 109 -11.740 -10.266 -0.455 1.00 21.77 C ATOM 1358 CG2 VAL A 109 -9.972 -10.088 1.313 1.00 21.28 C ATOM 1359 HA VAL A 109 -11.712 -8.133 1.408 1.00 0.00 H ATOM 1360 HB VAL A 109 -11.804 -11.159 1.477 1.00 0.00 H ATOM 1361 HG11 VAL A 109 -12.809 -10.402 -0.617 1.00 0.00 H ATOM 1362 HG12 VAL A 109 -11.418 -9.331 -0.913 1.00 0.00 H ATOM 1363 HG13 VAL A 109 -11.195 -11.098 -0.902 1.00 0.00 H ATOM 1364 HG21 VAL A 109 -9.613 -9.145 0.900 1.00 0.00 H ATOM 1365 HG22 VAL A 109 -9.795 -10.106 2.388 1.00 0.00 H ATOM 1366 HG23 VAL A 109 -9.443 -10.917 0.843 1.00 0.00 H ATOM 1367 H VAL A 109 -11.903 -10.010 3.624 1.00 0.00 H ATOM 1368 N VAL A 110 -13.867 -8.119 0.245 1.00 24.66 N ATOM 1369 CA VAL A 110 -15.156 -7.766 -0.350 1.00 25.82 C ATOM 1370 C VAL A 110 -16.075 -7.067 0.644 1.00 26.49 C ATOM 1371 O VAL A 110 -16.023 -5.832 0.761 1.00 27.44 O ATOM 1372 CB VAL A 110 -15.855 -8.953 -1.031 1.00 26.18 C ATOM 1373 CG1 VAL A 110 -17.215 -8.508 -1.553 1.00 27.03 C ATOM 1374 CG2 VAL A 110 -14.986 -9.476 -2.166 1.00 26.39 C ATOM 1375 HA VAL A 110 -14.928 -7.052 -1.142 1.00 0.00 H ATOM 1376 HB VAL A 110 -16.003 -9.758 -0.311 1.00 0.00 H ATOM 1377 HG11 VAL A 110 -17.824 -8.155 -0.721 1.00 0.00 H ATOM 1378 HG12 VAL A 110 -17.080 -7.702 -2.274 1.00 0.00 H ATOM 1379 HG13 VAL A 110 -17.711 -9.350 -2.036 1.00 0.00 H ATOM 1380 HG21 VAL A 110 -14.827 -8.682 -2.896 1.00 0.00 H ATOM 1381 HG22 VAL A 110 -14.026 -9.802 -1.766 1.00 0.00 H ATOM 1382 HG23 VAL A 110 -15.485 -10.318 -2.646 1.00 0.00 H ATOM 1383 H VAL A 110 -13.030 -7.625 -0.125 1.00 0.00 H TER 1384 VAL A 110 HETATM 1385 O HOH 1 -4.050 -8.081 -2.250 1.00 32.44 O HETATM 1386 O HOH 2 -14.231 -5.138 8.318 1.00 32.82 O HETATM 1387 O HOH 3 -8.466 8.944 11.899 1.00 26.30 O HETATM 1388 O HOH 4 -16.162 6.465 6.476 1.00 40.84 O HETATM 1389 O HOH 5 -7.826 -2.932 12.549 1.00 13.70 O HETATM 1390 O HOH 6 9.155 9.320 14.382 1.00 43.16 O HETATM 1391 O HOH 7 13.055 8.036 12.331 1.00 27.65 O HETATM 1392 O HOH 8 12.580 -4.946 17.299 1.00 14.97 O HETATM 1393 O HOH 9 -3.900 -12.435 7.804 1.00 23.46 O HETATM 1394 O HOH 10 -10.141 7.660 0.114 1.00 25.41 O HETATM 1395 O HOH 11 2.636 -0.489 19.542 1.00 28.72 O HETATM 1396 O HOH 12 -12.214 2.198 -3.952 1.00 34.90 O HETATM 1397 O HOH 13 -8.436 -10.627 5.050 1.00 18.62 O HETATM 1398 O HOH 14 10.909 -1.171 17.969 1.00 29.82 O HETATM 1399 O HOH 15 7.545 3.290 17.362 1.00 36.43 O HETATM 1400 O HOH 16 -7.220 1.503 -6.571 1.00 24.38 O HETATM 1401 O HOH 17 4.008 13.593 10.944 1.00 37.07 O HETATM 1402 O HOH 18 -2.246 -5.974 -3.570 1.00 37.02 O HETATM 1403 O HOH 19 -14.408 -1.187 10.682 1.00 25.53 O HETATM 1404 O HOH 20 -16.982 3.523 1.192 1.00 27.82 O HETATM 1405 O HOH 21 -8.408 7.336 -1.882 1.00 37.98 O HETATM 1406 O HOH 22 20.216 4.328 12.477 1.00 32.98 O HETATM 1407 O HOH 23 -11.474 12.340 0.610 1.00 32.55 O HETATM 1408 O HOH 24 -0.312 -11.231 12.192 1.00 36.72 O HETATM 1409 O HOH 25 9.742 1.210 18.533 1.00 40.05 O HETATM 1410 O HOH 26 -1.427 -16.294 6.010 1.00 40.43 O HETATM 1411 O HOH 27 -15.268 1.661 12.467 1.00 34.91 O HETATM 1412 O HOH 28 -2.132 -3.485 21.404 1.00 27.98 O HETATM 1413 O HOH 29 2.800 0.465 22.076 1.00 26.10 O HETATM 1414 O HOH 30 -10.343 -10.676 8.762 1.00 36.73 O HETATM 1415 O HOH 31 9.310 4.632 15.422 1.00 48.28 O HETATM 1416 O HOH 32 10.227 -0.929 22.509 1.00 28.99 O HETATM 1417 O HOH 33 0.832 2.468 21.152 1.00 30.73 O HETATM 1418 O HOH 34 -14.441 2.301 -2.849 1.00 30.43 O HETATM 1419 O HOH 35 -14.583 -0.490 6.957 1.00 24.54 O HETATM 1420 O HOH 36 5.755 -11.618 13.621 1.00 42.07 O HETATM 1421 O HOH 37 -9.324 -10.131 -5.702 1.00 39.44 O HETATM 1422 O HOH 38 -0.551 1.027 -3.674 1.00 28.76 O HETATM 1423 O HOH 39 -0.758 3.518 -4.969 1.00 19.53 O HETATM 1424 O HOH 40 -1.107 8.854 13.931 1.00 33.48 O HETATM 1425 O HOH 41 -3.739 12.083 1.966 1.00 37.64 O HETATM 1426 O HOH 42 14.988 -7.419 6.018 1.00 31.40 O HETATM 1427 O HOH 43 -10.974 -10.188 14.185 1.00 32.66 O HETATM 1428 O HOH 44 -14.393 6.030 11.048 1.00 46.60 O HETATM 1429 O HOH 45 13.432 9.055 3.410 1.00 27.38 O HETATM 1430 O HOH 46 1.663 -10.331 14.444 1.00 36.14 O HETATM 1431 O HOH 47 20.331 8.528 6.093 1.00 38.72 O HETATM 1432 O HOH 48 -9.562 11.768 6.547 1.00 30.41 O HETATM 1433 O HOH 49 -12.120 3.601 13.693 1.00 26.67 O HETATM 1434 O HOH 50 5.461 0.010 23.728 1.00 50.56 O HETATM 1435 O HOH 51 17.783 10.289 6.856 1.00 35.05 O HETATM 1436 O HOH 52 9.865 3.545 17.774 1.00 31.44 O HETATM 1437 O HOH 53 -8.407 -12.168 10.271 1.00 48.62 O HETATM 1438 O HOH 54 3.987 7.220 -5.476 1.00 17.59 O HETATM 1439 O HOH 55 2.637 -4.688 -9.046 1.00 55.33 O HETATM 1440 O HOH 56 0.498 -8.858 -4.109 1.00 44.54 O HETATM 1441 O HOH 57 -1.278 -5.117 -5.777 1.00 44.25 O HETATM 1442 O HOH 58 19.103 5.508 0.003 1.00 42.17 O HETATM 1443 O HOH 59 10.527 -3.582 -0.813 1.00 18.78 O HETATM 1444 O HOH 60 13.363 8.569 -2.870 1.00 25.65 O HETATM 1445 O HOH 61 12.852 -4.716 -1.466 1.00 32.05 O HETATM 1446 O HOH 62 15.801 4.798 -3.378 1.00 31.68 O HETATM 1447 O HOH 63 17.673 -0.129 3.392 1.00 29.45 O HETATM 1448 O HOH 64 18.126 2.885 3.430 1.00 22.45 O HETATM 1449 O HOH 65 11.259 8.263 2.363 1.00 27.85 O HETATM 1450 O HOH 66 7.517 8.262 -8.017 1.00 39.27 O HETATM 1451 N GLN A 67 18.851 2.994 -0.165 1.00 0.24 N HETATM 1452 CA GLN A 67 17.468 3.231 -0.682 1.00 0.06 C HETATM 1453 C GLN A 67 16.574 3.990 0.315 1.00 0.23 C HETATM 1454 O GLN A 67 16.751 3.927 1.528 1.00 -0.39 O HETATM 1455 N GLN A 67 15.624 4.721 -0.236 1.00 -0.26 N HETATM 1456 CA GLN A 67 14.696 5.543 0.527 1.00 0.16 C HETATM 1457 C GLN A 67 13.517 4.649 0.959 1.00 0.21 C HETATM 1458 O GLN A 67 13.117 3.764 0.204 1.00 -0.39 O HETATM 1459 N GLN A 67 12.961 4.868 2.159 1.00 -0.26 N HETATM 1460 CA GLN A 67 11.723 4.180 2.540 1.00 0.14 C HETATM 1461 C GLN A 67 10.670 4.310 1.429 1.00 0.20 C HETATM 1462 O GLN A 67 10.038 3.301 1.073 1.00 -0.39 O HETATM 1463 NAC GLN A 67 10.400 5.443 0.868 1.00 -0.27 N HETATM 1464 CAF GLN A 67 9.566 5.802 -0.308 1.00 0.13 C HETATM 1465 CAE GLN A 67 9.774 4.730 -1.428 1.00 0.23 C HETATM 1466 OAD GLN A 67 8.874 3.921 -1.695 1.00 -0.34 O HETATM 1467 N GLN A 67 10.952 4.484 -1.902 1.00 -0.26 N HETATM 1468 CA GLN A 67 11.223 3.504 -2.986 1.00 0.15 C HETATM 1469 C GLN A 67 11.071 2.065 -2.552 1.00 0.21 C HETATM 1470 O GLN A 67 10.563 1.254 -3.331 1.00 -0.39 O HETATM 1471 N GLN A 67 11.472 1.744 -1.319 1.00 -0.26 N HETATM 1472 CA GLN A 67 11.298 0.384 -0.805 1.00 0.13 C HETATM 1473 C GLN A 67 9.807 0.035 -0.706 1.00 0.20 C HETATM 1474 O GLN A 67 9.394 -1.068 -1.071 1.00 -0.39 O HETATM 1475 N GLN A 67 8.999 0.974 -0.214 1.00 -0.26 N HETATM 1476 CA GLN A 67 7.568 0.722 -0.099 1.00 0.14 C HETATM 1477 C GLN A 67 6.918 0.670 -1.484 1.00 0.21 C HETATM 1478 O GLN A 67 6.009 -0.119 -1.704 1.00 -0.39 O HETATM 1479 N GLN A 67 7.378 1.499 -2.417 1.00 -0.26 N HETATM 1480 CA GLN A 67 6.885 1.394 -3.802 1.00 0.13 C HETATM 1481 C GLN A 67 7.168 0.017 -4.399 1.00 0.20 C HETATM 1482 O GLN A 67 6.293 -0.570 -5.032 1.00 -0.39 O HETATM 1483 N GLN A 67 8.375 -0.508 -4.190 1.00 -0.26 N HETATM 1484 CA GLN A 67 8.689 -1.877 -4.621 1.00 0.13 C HETATM 1485 C GLN A 67 7.727 -2.901 -4.009 1.00 0.20 C HETATM 1486 O GLN A 67 7.290 -3.836 -4.690 1.00 -0.39 O HETATM 1487 N GLN A 67 7.384 -2.712 -2.735 1.00 -0.26 N HETATM 1488 CA GLN A 67 6.324 -3.495 -2.096 1.00 0.13 C HETATM 1489 C GLN A 67 5.001 -3.315 -2.869 1.00 0.20 C HETATM 1490 O GLN A 67 4.393 -4.318 -3.283 1.00 -0.39 O HETATM 1491 N GLN A 67 4.367 -2.204 -3.058 1.00 -0.27 N HETATM 1492 CA GLN A 67 3.055 -1.898 -3.716 1.00 0.13 C HETATM 1493 C GLN A 67 2.974 -2.533 -5.144 1.00 0.23 C HETATM 1494 O GLN A 67 1.884 -2.592 -5.712 1.00 -0.34 O HETATM 1495 N GLN A 67 3.925 -2.285 -6.091 1.00 -0.26 N HETATM 1496 CA GLN A 67 4.493 -2.822 -7.369 1.00 0.13 C HETATM 1497 C GLN A 67 5.040 -4.224 -7.153 1.00 0.20 C HETATM 1498 O GLN A 67 6.248 -4.468 -7.280 1.00 -0.39 O HETATM 1499 N GLN A 67 4.136 -5.132 -6.813 1.00 -0.27 N HETATM 1500 CA GLN A 67 4.458 -6.546 -6.632 1.00 0.11 C HETATM 1501 C GLN A 67 5.241 -7.126 -7.810 1.00 0.06 C HETATM 1502 O GLN A 67 6.473 -7.049 -7.846 1.00 -0.57 O HETATM 1503 OXT GLN A 67 4.654 -7.681 -8.744 1.00 -0.57 O HETATM 1504 CB GLN A 67 3.162 -7.327 -6.435 1.00 0.07 C HETATM 1505 CG GLN A 67 2.296 -6.729 -5.348 1.00 0.18 C HETATM 1506 OD1 GLN A 67 2.687 -6.687 -4.183 1.00 -0.40 O HETATM 1507 ND2 GLN A 67 1.123 -6.239 -5.728 1.00 -0.30 N HETATM 1508 H128 GLN A 67 0.509 -5.831 -5.052 1.00 0.18 H HETATM 1509 H129 GLN A 67 0.853 -6.277 -6.690 1.00 0.18 H HETATM 1510 H126 GLN A 67 3.410 -8.363 -6.161 1.00 0.05 H HETATM 1511 H127 GLN A 67 2.599 -7.323 -7.380 1.00 0.05 H HETATM 1512 H125 GLN A 67 5.075 -6.647 -5.727 1.00 0.08 H HETATM 1513 H124 GLN A 67 3.191 -4.836 -6.674 1.00 0.19 H HETATM 1514 CB GLN A 67 5.612 -1.935 -7.902 1.00 0.00 C HETATM 1515 CG GLN A 67 5.186 -0.529 -8.281 1.00 0.04 C HETATM 1516 CD GLN A 67 6.374 0.342 -8.647 1.00 0.17 C HETATM 1517 OE1 GLN A 67 7.516 -0.133 -8.694 1.00 -0.40 O HETATM 1518 NE2 GLN A 67 6.114 1.627 -8.906 1.00 -0.30 N HETATM 1519 H122 GLN A 67 6.858 2.248 -9.153 1.00 0.18 H HETATM 1520 H123 GLN A 67 5.175 1.968 -8.853 1.00 0.18 H HETATM 1521 H120 GLN A 67 4.661 -0.074 -7.428 1.00 0.05 H HETATM 1522 H121 GLN A 67 4.506 -0.584 -9.144 1.00 0.05 H HETATM 1523 H118 GLN A 67 6.034 -2.417 -8.796 1.00 0.03 H HETATM 1524 H119 GLN A 67 6.388 -1.860 -7.126 1.00 0.03 H HETATM 1525 H117 GLN A 67 3.688 -2.863 -8.117 1.00 0.08 H HETATM 1526 H116 GLN A 67 4.416 -1.450 -5.845 1.00 0.19 H HETATM 1527 CB GLN A 67 2.903 -0.391 -3.896 1.00 -0.02 C HETATM 1528 CG GLN A 67 2.685 0.619 -2.870 1.00 -0.05 C HETATM 1529 CD GLN A 67 2.766 2.038 -3.459 1.00 -0.05 C HETATM 1530 CE GLN A 67 2.507 2.991 -2.494 1.00 -0.04 C HETATM 1531 CAT GLN A 67 3.442 3.975 -2.232 1.00 -0.10 C HETATM 1532 CAS GLN A 67 3.150 4.938 -1.287 1.00 -0.10 C HETATM 1533 CAR GLN A 67 3.864 6.247 -1.630 1.00 -0.04 C HETATM 1534 CAQ GLN A 67 4.520 6.814 -0.379 1.00 -0.05 C HETATM 1535 CAP GLN A 67 5.736 5.974 0.017 1.00 -0.05 C HETATM 1536 CAO GLN A 67 7.034 6.523 -0.629 1.00 -0.05 C HETATM 1537 CAB GLN A 67 8.097 5.840 0.136 1.00 -0.02 C HETATM 1538 H29 GLN A 67 8.096 6.304 1.133 1.00 0.03 H HETATM 1539 H30 GLN A 67 7.780 4.790 0.220 1.00 0.03 H HETATM 1540 H32 GLN A 67 7.085 6.263 -1.697 1.00 0.03 H HETATM 1541 H33 GLN A 67 7.102 7.615 -0.514 1.00 0.03 H HETATM 1542 H34 GLN A 67 5.844 5.994 1.111 1.00 0.03 H HETATM 1543 H35 GLN A 67 5.580 4.938 -0.317 1.00 0.03 H HETATM 1544 H36 GLN A 67 4.843 7.847 -0.576 1.00 0.03 H HETATM 1545 H37 GLN A 67 3.792 6.808 0.446 1.00 0.03 H HETATM 1546 H38 GLN A 67 4.634 6.055 -2.392 1.00 0.04 H HETATM 1547 H39 GLN A 67 3.134 6.971 -2.021 1.00 0.04 H HETATM 1548 H40 GLN A 67 2.505 4.788 -0.423 1.00 0.04 H HETATM 1549 H41 GLN A 67 4.393 3.990 -2.762 1.00 0.04 H HETATM 1550 H109 GLN A 67 1.581 3.503 -2.793 1.00 0.04 H HETATM 1551 H110 GLN A 67 2.340 2.451 -1.550 1.00 0.04 H HETATM 1552 H107 GLN A 67 3.775 2.202 -3.864 1.00 0.03 H HETATM 1553 H108 GLN A 67 2.026 2.135 -4.267 1.00 0.03 H HETATM 1554 H111 GLN A 67 3.453 0.510 -2.090 1.00 0.03 H HETATM 1555 H112 GLN A 67 1.689 0.471 -2.427 1.00 0.03 H HETATM 1556 H105 GLN A 67 2.051 -0.278 -4.583 1.00 0.03 H HETATM 1557 H106 GLN A 67 3.827 -0.077 -4.403 1.00 0.03 H HETATM 1558 CB1 GLN A 67 1.932 -2.432 -2.812 1.00 -0.03 C HETATM 1559 H113 GLN A 67 0.957 -2.219 -3.274 1.00 0.02 H HETATM 1560 H114 GLN A 67 1.987 -1.940 -1.829 1.00 0.02 H HETATM 1561 H115 GLN A 67 2.048 -3.518 -2.686 1.00 0.02 H HETATM 1562 H104 GLN A 67 4.840 -1.399 -2.699 1.00 0.18 H HETATM 1563 CB GLN A 67 6.135 -3.065 -0.628 1.00 -0.01 C HETATM 1564 CG GLN A 67 5.498 -4.029 0.387 1.00 -0.04 C HETATM 1565 CD1 GLN A 67 4.757 -3.256 1.497 1.00 -0.06 C HETATM 1566 H98 GLN A 67 4.313 -3.969 2.207 1.00 0.02 H HETATM 1567 H99 GLN A 67 3.962 -2.642 1.048 1.00 0.02 H HETATM 1568 H100 GLN A 67 5.468 -2.605 2.028 1.00 0.02 H HETATM 1569 CD2 GLN A 67 4.577 -5.039 -0.251 1.00 -0.06 C HETATM 1570 H101 GLN A 67 5.118 -5.582 -1.040 1.00 0.02 H HETATM 1571 H102 GLN A 67 3.712 -4.520 -0.690 1.00 0.02 H HETATM 1572 H103 GLN A 67 4.229 -5.751 0.512 1.00 0.02 H HETATM 1573 H97 GLN A 67 6.318 -4.589 0.860 1.00 0.03 H HETATM 1574 H95 GLN A 67 5.508 -2.161 -0.641 1.00 0.03 H HETATM 1575 H96 GLN A 67 7.133 -2.813 -0.241 1.00 0.03 H HETATM 1576 H94 GLN A 67 6.608 -4.558 -2.119 1.00 0.08 H HETATM 1577 H93 GLN A 67 7.864 -2.016 -2.200 1.00 0.19 H HETATM 1578 CB GLN A 67 10.136 -2.251 -4.280 1.00 -0.01 C HETATM 1579 CG GLN A 67 11.230 -1.615 -5.133 1.00 -0.04 C HETATM 1580 CD1 GLN A 67 12.602 -1.910 -4.524 1.00 -0.06 C HETATM 1581 H87 GLN A 67 13.385 -1.449 -5.144 1.00 0.02 H HETATM 1582 H88 GLN A 67 12.759 -2.998 -4.484 1.00 0.02 H HETATM 1583 H89 GLN A 67 12.648 -1.495 -3.506 1.00 0.02 H HETATM 1584 CD2 GLN A 67 11.138 -2.117 -6.593 1.00 -0.06 C HETATM 1585 H90 GLN A 67 10.141 -1.888 -6.997 1.00 0.02 H HETATM 1586 H91 GLN A 67 11.303 -3.204 -6.618 1.00 0.02 H HETATM 1587 H92 GLN A 67 11.904 -1.615 -7.202 1.00 0.02 H HETATM 1588 H86 GLN A 67 11.081 -0.525 -5.135 1.00 0.03 H HETATM 1589 H84 GLN A 67 10.230 -3.343 -4.378 1.00 0.03 H HETATM 1590 H85 GLN A 67 10.318 -1.960 -3.235 1.00 0.03 H HETATM 1591 H83 GLN A 67 8.576 -1.917 -5.714 1.00 0.08 H HETATM 1592 H82 GLN A 67 9.077 0.038 -3.733 1.00 0.19 H HETATM 1593 CB GLN A 67 7.470 2.488 -4.698 1.00 -0.01 C HETATM 1594 CG GLN A 67 6.873 3.840 -4.437 1.00 -0.02 C HETATM 1595 CD GLN A 67 7.416 4.900 -5.399 1.00 0.06 C HETATM 1596 NE GLN A 67 6.963 6.221 -4.970 1.00 -0.27 N HETATM 1597 CZ GLN A 67 7.746 7.250 -4.660 1.00 0.29 C HETATM 1598 NH1 GLN A 67 9.076 7.172 -4.736 1.00 -0.28 N HETATM 1599 H78 GLN A 67 9.655 7.987 -4.489 1.00 0.26 H HETATM 1600 H79 GLN A 67 9.524 6.296 -5.042 1.00 0.26 H HETATM 1601 NH2 GLN A 67 7.183 8.378 -4.264 1.00 -0.28 N HETATM 1602 H80 GLN A 67 6.157 8.448 -4.202 1.00 0.26 H HETATM 1603 H81 GLN A 67 7.770 9.188 -4.017 1.00 0.26 H HETATM 1604 H77 GLN A 67 5.946 6.369 -4.902 1.00 0.26 H HETATM 1605 H75 GLN A 67 7.047 4.697 -6.415 1.00 0.07 H HETATM 1606 H76 GLN A 67 8.516 4.870 -5.396 1.00 0.07 H HETATM 1607 H73 GLN A 67 7.111 4.141 -3.406 1.00 0.03 H HETATM 1608 H74 GLN A 67 5.782 3.776 -4.558 1.00 0.03 H HETATM 1609 H71 GLN A 67 7.283 2.219 -5.748 1.00 0.03 H HETATM 1610 H72 GLN A 67 8.554 2.543 -4.521 1.00 0.03 H HETATM 1611 H70 GLN A 67 5.794 1.530 -3.775 1.00 0.08 H HETATM 1612 H69 GLN A 67 8.058 2.193 -2.179 1.00 0.19 H HETATM 1613 CB GLN A 67 6.874 1.754 0.790 1.00 0.00 C HETATM 1614 CG GLN A 67 5.500 1.321 1.215 1.00 -0.04 C HETATM 1615 CD1 GLN A 67 4.308 1.637 0.611 1.00 0.02 C HETATM 1616 NE1 GLN A 67 3.266 1.054 1.295 1.00 -0.29 N HETATM 1617 CE2 GLN A 67 3.769 0.343 2.355 1.00 0.06 C HETATM 1618 CD2 GLN A 67 5.172 0.492 2.337 1.00 -0.02 C HETATM 1619 CE3 GLN A 67 5.928 -0.144 3.323 1.00 -0.07 C HETATM 1620 CZ3 GLN A 67 5.265 -0.889 4.293 1.00 -0.08 C HETATM 1621 CH2 GLN A 67 3.875 -1.012 4.281 1.00 -0.08 C HETATM 1622 CZ2 GLN A 67 3.113 -0.403 3.322 1.00 -0.04 C HETATM 1623 H66 GLN A 67 2.033 -0.500 3.318 1.00 0.05 H HETATM 1624 H68 GLN A 67 3.388 -1.603 5.048 1.00 0.05 H HETATM 1625 H67 GLN A 67 5.837 -1.382 5.071 1.00 0.05 H HETATM 1626 H65 GLN A 67 7.009 -0.059 3.333 1.00 0.05 H HETATM 1627 H64 GLN A 67 2.269 1.138 1.050 1.00 0.22 H HETATM 1628 H63 GLN A 67 4.203 2.257 -0.278 1.00 0.08 H HETATM 1629 H61 GLN A 67 6.789 2.699 0.233 1.00 0.04 H HETATM 1630 H62 GLN A 67 7.487 1.913 1.689 1.00 0.04 H HETATM 1631 H60 GLN A 67 7.439 -0.264 0.372 1.00 0.08 H HETATM 1632 H59 GLN A 67 9.376 1.853 0.077 1.00 0.19 H HETATM 1633 CB GLN A 67 11.988 0.194 0.559 1.00 -0.01 C HETATM 1634 CG GLN A 67 13.524 0.243 0.565 1.00 -0.04 C HETATM 1635 CD1 GLN A 67 14.063 0.415 1.976 1.00 -0.06 C HETATM 1636 H53 GLN A 67 15.162 0.446 1.947 1.00 0.02 H HETATM 1637 H54 GLN A 67 13.737 -0.431 2.599 1.00 0.02 H HETATM 1638 H55 GLN A 67 13.680 1.354 2.403 1.00 0.02 H HETATM 1639 CD2 GLN A 67 14.130 -1.000 -0.089 1.00 -0.06 C HETATM 1640 H56 GLN A 67 13.730 -1.110 -1.108 1.00 0.02 H HETATM 1641 H57 GLN A 67 13.871 -1.889 0.504 1.00 0.02 H HETATM 1642 H58 GLN A 67 15.224 -0.894 -0.134 1.00 0.02 H HETATM 1643 H52 GLN A 67 13.833 1.119 -0.025 1.00 0.03 H HETATM 1644 H50 GLN A 67 11.684 -0.787 0.953 1.00 0.03 H HETATM 1645 H51 GLN A 67 11.626 0.987 1.230 1.00 0.03 H HETATM 1646 H49 GLN A 67 11.766 -0.309 -1.519 1.00 0.08 H HETATM 1647 H48 GLN A 67 11.896 2.441 -0.740 1.00 0.19 H HETATM 1648 CB GLN A 67 12.587 3.763 -3.614 1.00 0.08 C HETATM 1649 CG GLN A 67 12.574 4.979 -4.517 1.00 0.18 C HETATM 1650 OD1 GLN A 67 11.545 5.303 -5.143 1.00 -0.40 O HETATM 1651 ND2 GLN A 67 13.706 5.668 -4.588 1.00 -0.30 N HETATM 1652 H46 GLN A 67 13.761 6.481 -5.167 1.00 0.18 H HETATM 1653 H47 GLN A 67 14.504 5.374 -4.062 1.00 0.18 H HETATM 1654 H44 GLN A 67 12.878 2.883 -4.207 1.00 0.06 H HETATM 1655 H45 GLN A 67 13.322 3.924 -2.812 1.00 0.06 H HETATM 1656 H43 GLN A 67 10.468 3.677 -3.767 1.00 0.08 H HETATM 1657 H42 GLN A 67 11.727 4.984 -1.516 1.00 0.19 H HETATM 1658 CAA GLN A 67 9.968 7.204 -0.826 1.00 -0.03 C HETATM 1659 H26 GLN A 67 9.817 7.947 -0.029 1.00 0.02 H HETATM 1660 H27 GLN A 67 9.346 7.466 -1.694 1.00 0.02 H HETATM 1661 H28 GLN A 67 11.027 7.195 -1.123 1.00 0.02 H HETATM 1662 H31 GLN A 67 10.835 6.227 1.310 1.00 0.18 H HETATM 1663 CB GLN A 67 11.123 4.662 3.868 1.00 0.02 C HETATM 1664 CG GLN A 67 9.750 4.086 4.134 1.00 -0.04 C HETATM 1665 CD1 GLN A 67 9.607 2.817 4.684 1.00 -0.06 C HETATM 1666 CE1 GLN A 67 8.348 2.264 4.885 1.00 -0.07 C HETATM 1667 CZ GLN A 67 7.205 2.975 4.507 1.00 -0.07 C HETATM 1668 CE2 GLN A 67 7.341 4.241 3.947 1.00 -0.07 C HETATM 1669 CD2 GLN A 67 8.606 4.781 3.754 1.00 -0.06 C HETATM 1670 H22 GLN A 67 8.704 5.760 3.300 1.00 0.06 H HETATM 1671 H24 GLN A 67 6.461 4.806 3.662 1.00 0.06 H HETATM 1672 H25 GLN A 67 6.221 2.543 4.649 1.00 0.06 H HETATM 1673 H23 GLN A 67 8.252 1.282 5.335 1.00 0.06 H HETATM 1674 H21 GLN A 67 10.490 2.251 4.960 1.00 0.06 H HETATM 1675 H19 GLN A 67 11.045 5.759 3.841 1.00 0.05 H HETATM 1676 H20 GLN A 67 11.794 4.362 4.686 1.00 0.05 H HETATM 1677 H18 GLN A 67 11.967 3.114 2.657 1.00 0.08 H HETATM 1678 H17 GLN A 67 13.393 5.504 2.798 1.00 0.19 H HETATM 1679 CB GLN A 67 14.243 6.743 -0.377 1.00 0.09 C HETATM 1680 OG1 GLN A 67 15.076 7.890 -0.117 1.00 -0.39 O HETATM 1681 H13 GLN A 67 14.798 8.613 -0.667 1.00 0.21 H HETATM 1682 CG2 GLN A 67 12.839 7.108 -0.146 1.00 -0.03 C HETATM 1683 H14 GLN A 67 12.567 7.950 -0.799 1.00 0.03 H HETATM 1684 H15 GLN A 67 12.705 7.401 0.906 1.00 0.03 H HETATM 1685 H16 GLN A 67 12.194 6.246 -0.372 1.00 0.03 H HETATM 1686 H12 GLN A 67 14.359 6.447 -1.430 1.00 0.06 H HETATM 1687 H11 GLN A 67 15.195 5.939 1.424 1.00 0.08 H HETATM 1688 H10 GLN A 67 15.537 4.710 -1.232 1.00 0.19 H HETATM 1689 CB GLN A 67 16.811 1.913 -1.089 1.00 0.01 C HETATM 1690 CG GLN A 67 17.102 1.498 -2.528 1.00 -0.06 C HETATM 1691 H7 GLN A 67 16.597 0.545 -2.744 1.00 0.02 H HETATM 1692 H8 GLN A 67 18.187 1.377 -2.662 1.00 0.02 H HETATM 1693 H9 GLN A 67 16.732 2.273 -3.215 1.00 0.02 H HETATM 1694 H5 GLN A 67 15.722 2.018 -0.972 1.00 0.03 H HETATM 1695 H6 GLN A 67 17.178 1.121 -0.419 1.00 0.03 H HETATM 1696 H4 GLN A 67 17.558 3.855 -1.583 1.00 0.11 H HETATM 1697 H1 GLN A 67 19.388 2.496 -0.858 1.00 0.20 H HETATM 1698 H2 GLN A 67 18.805 2.448 0.681 1.00 0.20 H HETATM 1699 H3 GLN A 67 19.293 3.879 0.030 1.00 0.20 H HETATM 1700 OE1 UNK 68 -12.122 12.476 3.236 1.00 39.84 O HETATM 1701 NE2 UNK 69 -10.234 14.095 4.739 1.00 34.03 N HETATM 1702 NZ UNK 70 20.320 6.941 13.236 1.00 47.30 N HETATM 1703 NZ UNK 71 4.378 -11.005 11.047 1.00 45.32 N CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1451 1452 1697 1698 1699 CONECT 1452 1451 1453 1689 1696 CONECT 1453 1452 1454 1455 CONECT 1454 1453 CONECT 1455 1453 1456 1688 CONECT 1456 1455 1457 1679 1687 CONECT 1457 1456 1458 1459 CONECT 1458 1457 CONECT 1459 1457 1460 1678 CONECT 1460 1459 1461 1663 1677 CONECT 1461 1460 1462 1463 CONECT 1462 1461 CONECT 1463 1461 1464 1662 CONECT 1464 1463 1465 1537 1658 CONECT 1465 1464 1466 1467 CONECT 1466 1465 CONECT 1467 1465 1468 1657 CONECT 1468 1467 1469 1648 1656 CONECT 1469 1468 1470 1471 CONECT 1470 1469 CONECT 1471 1469 1472 1647 CONECT 1472 1471 1473 1633 1646 CONECT 1473 1472 1474 1475 CONECT 1474 1473 CONECT 1475 1473 1476 1632 CONECT 1476 1475 1477 1613 1631 CONECT 1477 1476 1478 1479 CONECT 1478 1477 CONECT 1479 1477 1480 1612 CONECT 1480 1479 1481 1593 1611 CONECT 1481 1480 1482 1483 CONECT 1482 1481 CONECT 1483 1481 1484 1592 CONECT 1484 1483 1485 1578 1591 CONECT 1485 1484 1486 1487 CONECT 1486 1485 CONECT 1487 1485 1488 1577 CONECT 1488 1487 1489 1563 1576 CONECT 1489 1488 1490 1491 CONECT 1490 1489 CONECT 1491 1489 1492 1562 CONECT 1492 1491 1493 1527 1558 CONECT 1493 1492 1494 1495 CONECT 1494 1493 CONECT 1495 1493 1496 1526 CONECT 1496 1495 1497 1514 1525 CONECT 1497 1496 1498 1499 CONECT 1498 1497 CONECT 1499 1497 1500 1513 CONECT 1500 1499 1501 1504 1512 CONECT 1501 1500 1502 1503 CONECT 1502 1501 CONECT 1503 1501 CONECT 1504 1500 1505 1510 1511 CONECT 1505 1504 1506 1507 CONECT 1506 1505 CONECT 1507 1505 1508 1509 CONECT 1508 1507 CONECT 1509 1507 CONECT 1510 1504 CONECT 1511 1504 CONECT 1512 1500 CONECT 1513 1499 CONECT 1514 1496 1515 1523 1524 CONECT 1515 1514 1516 1521 1522 CONECT 1516 1515 1517 1518 CONECT 1517 1516 CONECT 1518 1516 1519 1520 CONECT 1519 1518 CONECT 1520 1518 CONECT 1521 1515 CONECT 1522 1515 CONECT 1523 1514 CONECT 1524 1514 CONECT 1525 1496 CONECT 1526 1495 CONECT 1527 1492 1528 1556 1557 CONECT 1528 1527 1529 1554 1555 CONECT 1529 1528 1530 1552 1553 CONECT 1530 1529 1531 1550 1551 CONECT 1531 1530 1532 1549 CONECT 1532 1531 1533 1548 CONECT 1533 1532 1534 1546 1547 CONECT 1534 1533 1535 1544 1545 CONECT 1535 1534 1536 1542 1543 CONECT 1536 1535 1537 1540 1541 CONECT 1537 1464 1536 1538 1539 CONECT 1538 1537 CONECT 1539 1537 CONECT 1540 1536 CONECT 1541 1536 CONECT 1542 1535 CONECT 1543 1535 CONECT 1544 1534 CONECT 1545 1534 CONECT 1546 1533 CONECT 1547 1533 CONECT 1548 1532 CONECT 1549 1531 CONECT 1550 1530 CONECT 1551 1530 CONECT 1552 1529 CONECT 1553 1529 CONECT 1554 1528 CONECT 1555 1528 CONECT 1556 1527 CONECT 1557 1527 CONECT 1558 1492 1559 1560 1561 CONECT 1559 1558 CONECT 1560 1558 CONECT 1561 1558 CONECT 1562 1491 CONECT 1563 1488 1564 1574 1575 CONECT 1564 1563 1565 1569 1573 CONECT 1565 1564 1566 1567 1568 CONECT 1566 1565 CONECT 1567 1565 CONECT 1568 1565 CONECT 1569 1564 1570 1571 1572 CONECT 1570 1569 CONECT 1571 1569 CONECT 1572 1569 CONECT 1573 1564 CONECT 1574 1563 CONECT 1575 1563 CONECT 1576 1488 CONECT 1577 1487 CONECT 1578 1484 1579 1589 1590 CONECT 1579 1578 1580 1584 1588 CONECT 1580 1579 1581 1582 1583 CONECT 1581 1580 CONECT 1582 1580 CONECT 1583 1580 CONECT 1584 1579 1585 1586 1587 CONECT 1585 1584 CONECT 1586 1584 CONECT 1587 1584 CONECT 1588 1579 CONECT 1589 1578 CONECT 1590 1578 CONECT 1591 1484 CONECT 1592 1483 CONECT 1593 1480 1594 1609 1610 CONECT 1594 1593 1595 1607 1608 CONECT 1595 1594 1596 1605 1606 CONECT 1596 1595 1597 1604 CONECT 1597 1596 1598 1601 CONECT 1598 1597 1599 1600 CONECT 1599 1598 CONECT 1600 1598 CONECT 1601 1597 1602 1603 CONECT 1602 1601 CONECT 1603 1601 CONECT 1604 1596 CONECT 1605 1595 CONECT 1606 1595 CONECT 1607 1594 CONECT 1608 1594 CONECT 1609 1593 CONECT 1610 1593 CONECT 1611 1480 CONECT 1612 1479 CONECT 1613 1476 1614 1629 1630 CONECT 1614 1613 1615 1618 CONECT 1615 1614 1616 1628 CONECT 1616 1615 1617 1627 CONECT 1617 1616 1618 1622 CONECT 1618 1614 1617 1619 CONECT 1619 1618 1620 1626 CONECT 1620 1619 1621 1625 CONECT 1621 1620 1622 1624 CONECT 1622 1617 1621 1623 CONECT 1623 1622 CONECT 1624 1621 CONECT 1625 1620 CONECT 1626 1619 CONECT 1627 1616 CONECT 1628 1615 CONECT 1629 1613 CONECT 1630 1613 CONECT 1631 1476 CONECT 1632 1475 CONECT 1633 1472 1634 1644 1645 CONECT 1634 1633 1635 1639 1643 CONECT 1635 1634 1636 1637 1638 CONECT 1636 1635 CONECT 1637 1635 CONECT 1638 1635 CONECT 1639 1634 1640 1641 1642 CONECT 1640 1639 CONECT 1641 1639 CONECT 1642 1639 CONECT 1643 1634 CONECT 1644 1633 CONECT 1645 1633 CONECT 1646 1472 CONECT 1647 1471 CONECT 1648 1468 1649 1654 1655 CONECT 1649 1648 1650 1651 CONECT 1650 1649 CONECT 1651 1649 1652 1653 CONECT 1652 1651 CONECT 1653 1651 CONECT 1654 1648 CONECT 1655 1648 CONECT 1656 1468 CONECT 1657 1467 CONECT 1658 1464 1659 1660 1661 CONECT 1659 1658 CONECT 1660 1658 CONECT 1661 1658 CONECT 1662 1463 CONECT 1663 1460 1664 1675 1676 CONECT 1664 1663 1665 1669 CONECT 1665 1664 1666 1674 CONECT 1666 1665 1667 1673 CONECT 1667 1666 1668 1672 CONECT 1668 1667 1669 1671 CONECT 1669 1664 1668 1670 CONECT 1670 1669 CONECT 1671 1668 CONECT 1672 1667 CONECT 1673 1666 CONECT 1674 1665 CONECT 1675 1663 CONECT 1676 1663 CONECT 1677 1460 CONECT 1678 1459 CONECT 1679 1456 1680 1682 1686 CONECT 1680 1679 1681 CONECT 1681 1680 CONECT 1682 1679 1683 1684 1685 CONECT 1683 1682 CONECT 1684 1682 CONECT 1685 1682 CONECT 1686 1679 CONECT 1687 1456 CONECT 1688 1455 CONECT 1689 1452 1690 1694 1695 CONECT 1690 1689 1691 1692 1693 CONECT 1691 1690 CONECT 1692 1690 CONECT 1693 1690 CONECT 1694 1689 CONECT 1695 1689 CONECT 1696 1452 CONECT 1697 1451 CONECT 1698 1451 CONECT 1699 1451 MASTER 0 0 0 0 0 0 0 0 1702 1 253 7 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: 3v3b
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bxl
RCSB PDB
PDBbind
16-mer
1dpu
RCSB PDB
PDBbind
16-mer
1dxp
RCSB PDB
PDBbind
16-mer
1g1e
RCSB PDB
PDBbind
16-mer
1j19
RCSB PDB
PDBbind
16-mer
1ok7
RCSB PDB
PDBbind
16-mer
1pmx
RCSB PDB
PDBbind
16-mer
1r17
RCSB PDB
PDBbind
16-mer
1s5q
RCSB PDB
PDBbind
16-mer
1sje
RCSB PDB
PDBbind
16-mer
1t2v
RCSB PDB
PDBbind
16-mer
1u8t
RCSB PDB
PDBbind
16-mer
1uti
RCSB PDB
PDBbind
16-mer
1vyj
RCSB PDB
PDBbind
16-mer
1y3a
RCSB PDB
PDBbind
16-mer
2b2v
RCSB PDB
PDBbind
16-mer
2flu
RCSB PDB
PDBbind
16-mer
2fx7
RCSB PDB
PDBbind
16-mer
2gph
RCSB PDB
PDBbind
16-mer
2ivz
RCSB PDB
PDBbind
16-mer
2k3w
RCSB PDB
PDBbind
16-mer
2koh
RCSB PDB
PDBbind
16-mer
2kvm
RCSB PDB
PDBbind
16-mer
2lcs
RCSB PDB
PDBbind
16-mer
2lsk
RCSB PDB
PDBbind
16-mer
2lsr
RCSB PDB
PDBbind
16-mer
2mg5
RCSB PDB
PDBbind
16-mer
2mpm
RCSB PDB
PDBbind
16-mer
2mps
RCSB PDB
PDBbind
16-mer
2n1g
RCSB PDB
PDBbind
16-mer
3eht
RCSB PDB
PDBbind
16-mer
3g5v
RCSB PDB
PDBbind
16-mer
3g5y
RCSB PDB
PDBbind
16-mer
3g7l
RCSB PDB
PDBbind
16-mer
3k48
RCSB PDB
PDBbind
16-mer
3nfl
RCSB PDB
PDBbind
16-mer
3oe0
RCSB PDB
PDBbind
16-mer
3tdu
RCSB PDB
PDBbind
16-mer
3twr
RCSB PDB
PDBbind
16-mer
3tws
RCSB PDB
PDBbind
16-mer
3twu
RCSB PDB
PDBbind
16-mer
3twv
RCSB PDB
PDBbind
16-mer
3tww
RCSB PDB
PDBbind
16-mer
3twx
RCSB PDB
PDBbind
16-mer
3zqi
RCSB PDB
PDBbind
16-mer
4a2a
RCSB PDB
PDBbind
16-mer
4a7j
RCSB PDB
PDBbind
16-mer
4edu
RCSB PDB
PDBbind
16-mer
4hs6
RCSB PDB
PDBbind
16-mer
4hs8
RCSB PDB
PDBbind
16-mer
4is6
RCSB PDB
PDBbind
16-mer
4j8r
RCSB PDB
PDBbind
16-mer
4l3o
RCSB PDB
PDBbind
16-mer
4nuf
RCSB PDB
PDBbind
16-mer
4odk
RCSB PDB
PDBbind
16-mer
4odl
RCSB PDB
PDBbind
16-mer
4odm
RCSB PDB
PDBbind
16-mer
4odp
RCSB PDB
PDBbind
16-mer
4odq
RCSB PDB
PDBbind
16-mer
4pz5
RCSB PDB
PDBbind
16-mer
4qq4
RCSB PDB
PDBbind
16-mer
4tzm
RCSB PDB
PDBbind
16-mer
4tzn
RCSB PDB
PDBbind
16-mer
4u2w
RCSB PDB
PDBbind
16-mer
4ud7
RCSB PDB
PDBbind
16-mer
4ue1
RCSB PDB
PDBbind
16-mer
4wci
RCSB PDB
PDBbind
16-mer
4wy7
RCSB PDB
PDBbind
16-mer
4yhp
RCSB PDB
PDBbind
16-mer
4zdu
RCSB PDB
PDBbind
16-mer
5eta
RCSB PDB
PDBbind
16-mer
5hhx
RCSB PDB
PDBbind
16-mer
5iay
RCSB PDB
PDBbind
16-mer
5icx
RCSB PDB
PDBbind
16-mer
5iy4
RCSB PDB
PDBbind
16-mer
5klr
RCSB PDB
PDBbind
16-mer
5klt
RCSB PDB
PDBbind
16-mer
5lvf
RCSB PDB
PDBbind
16-mer
5ly3
RCSB PDB
PDBbind
16-mer
5m9d
RCSB PDB
PDBbind
16-mer
5myk
RCSB PDB
PDBbind
16-mer
5myx
RCSB PDB
PDBbind
16-mer
5nin
RCSB PDB
PDBbind
16-mer
5njx
RCSB PDB
PDBbind
16-mer
5o4y
RCSB PDB
PDBbind
16-mer
5u2j
RCSB PDB
PDBbind
16-mer
5v1y
RCSB PDB
PDBbind
16-mer
5v6y
RCSB PDB
PDBbind
16-mer
5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
3v3b
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
16-mer
EC.Number
E.C.6.3.2
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=55nM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Am.Chem.Soc. Vol. 134: pp. 103-106
Ligand Properties
Formula
C
8
2
H
1
3
0
N
2
0
O
1
8
Molecular Weight
1684.030
Exact Mass
1682.990
No. of atoms
250
No. of bonds
253
Polar Surface Area
645.44
LOGP Value
2.58 (
Computed with XLOGP3
)
4.16 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 39
No. of Nitrogen and Oxygen Atoms: 38
No. of Rings: 4
Canonical SMILES
CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@]1(C)CCCCC/C=C/CCCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)N)CC(C)C)Cc1c[nH]c2c1cccc2)CCC[NH+]=C(N)N)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)CCC(=O)N)Cc1ccccc1)[C@H](O)C)[NH3+]
InChI String
InChI=1S/C82H128N20O18/c1-11-52(83)67(107)100-66(48(8)103)76(116)96-59(40-49-27-20-19-21-28-49)75(115)102-82(10)35-25-18-16-14-12-13-15-17-24-34-81(9,78(119)98-55(32-33-63(84)104)69(109)97-62(77(117)118)43-65(86)106)101-74(114)58(39-47(6)7)94-70(110)56(37-45(2)3)92-68(108)54(31-26-36-89-80(87)88)91-72(112)60(41-50-44-90-53-30-23-22-29-51(50)53)95-71(111)57(38-46(4)5)93-73(113)61(42-64(85)105)99-79(82)120/h12-13,19-23,27-30,44-48,52,54-62,66,90,103H,11,14-18,24-26,31-43,83H2,1-10H3,(H2,84,104)(H2,85,105)(H2,86,106)(H,91,112)(H,92,108)(H,93,113)(H,94,110)(H,95,111)(H,96,116)(H,97,109)(H,98,119)(H,99,120)(H,100,107)(H,101,114)(H,102,115)(H,117,118)(H4,87,88,89)/p+2/b13-12+/t48-,52+,54+,55+,56+,57+,58+,59+,60+,61+,62+,66+,81+,82-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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