Browse entries in the PDBbind-CN Database
HEADER 2GV2_COMPLEX COMPND 2GV2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 88 GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU LYS LEU SEQRES 2 A 88 LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET SEQRES 3 A 88 LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR SEQRES 4 A 88 LYS ARG LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL TYR SEQRES 5 A 88 CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO SEQRES 6 A 88 SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET SEQRES 7 A 88 ILE TYR ARG ASN LEU VAL VAL VAL ASN GLN HET ACE A 182 152 ATOM 1 N GLU A 25 4.985 -0.555 8.063 1.00 40.13 N ATOM 2 CA GLU A 25 4.557 0.357 6.962 1.00 39.81 C ATOM 3 C GLU A 25 3.039 0.451 6.857 1.00 37.00 C ATOM 4 O GLU A 25 2.409 -0.366 6.182 1.00 36.99 O ATOM 5 CB GLU A 25 5.108 -0.133 5.620 1.00 43.68 C ATOM 6 CG GLU A 25 6.622 -0.149 5.518 1.00 48.03 C ATOM 7 CD GLU A 25 7.101 -0.594 4.149 1.00 50.53 C ATOM 8 OE1 GLU A 25 8.332 -0.661 3.943 1.00 52.81 O ATOM 9 OE2 GLU A 25 6.247 -0.875 3.279 1.00 52.28 O ATOM 10 HA GLU A 25 4.954 1.345 7.198 1.00 0.00 H ATOM 11 HB2 GLU A 25 4.747 -1.148 5.456 1.00 0.00 H ATOM 12 HB3 GLU A 25 4.723 0.520 4.837 1.00 0.00 H ATOM 13 HG2 GLU A 25 6.998 0.856 5.712 1.00 0.00 H ATOM 14 HG3 GLU A 25 7.017 -0.834 6.268 1.00 0.00 H ATOM 15 HN3 GLU A 25 4.611 -1.509 7.886 1.00 0.00 H ATOM 16 HN2 GLU A 25 4.617 -0.200 8.969 1.00 0.00 H ATOM 17 HN1 GLU A 25 6.024 -0.590 8.099 1.00 0.00 H ATOM 18 N THR A 26 2.446 1.438 7.522 1.00 33.09 N ATOM 19 CA THR A 26 0.999 1.603 7.452 1.00 28.99 C ATOM 20 C THR A 26 0.669 2.136 6.063 1.00 27.17 C ATOM 21 O THR A 26 1.014 3.272 5.731 1.00 26.32 O ATOM 22 CB THR A 26 0.480 2.607 8.500 1.00 29.74 C ATOM 23 OG1 THR A 26 0.920 2.213 9.806 1.00 28.97 O ATOM 24 CG2 THR A 26 -1.045 2.645 8.480 1.00 27.16 C ATOM 25 HA THR A 26 0.524 0.642 7.651 1.00 0.00 H ATOM 26 HB THR A 26 0.871 3.596 8.261 1.00 0.00 H ATOM 27 HG1 THR A 26 0.584 2.861 10.475 1.00 0.00 H ATOM 28 HG23 THR A 26 -1.387 2.944 7.489 1.00 0.00 H ATOM 29 HG21 THR A 26 -1.435 1.655 8.717 1.00 0.00 H ATOM 30 HG22 THR A 26 -1.399 3.363 9.220 1.00 0.00 H ATOM 31 H THR A 26 3.016 2.094 8.094 1.00 0.00 H ATOM 32 N LEU A 27 0.012 1.311 5.251 1.00 23.49 N ATOM 33 CA LEU A 27 -0.350 1.706 3.893 1.00 20.57 C ATOM 34 C LEU A 27 -1.622 2.547 3.930 1.00 16.51 C ATOM 35 O LEU A 27 -2.635 2.143 4.507 1.00 13.70 O ATOM 36 CB LEU A 27 -0.544 0.467 3.019 1.00 22.38 C ATOM 37 CG LEU A 27 -0.077 0.611 1.566 1.00 26.51 C ATOM 38 CD1 LEU A 27 1.431 0.835 1.542 1.00 24.60 C ATOM 39 CD2 LEU A 27 -0.434 -0.639 0.773 1.00 28.11 C ATOM 40 HA LEU A 27 0.453 2.303 3.462 1.00 0.00 H ATOM 41 HB2 LEU A 27 0.011 -0.355 3.471 1.00 0.00 H ATOM 42 HB3 LEU A 27 -1.607 0.224 3.009 1.00 0.00 H ATOM 43 HG LEU A 27 -0.577 1.465 1.109 1.00 0.00 H ATOM 44 HD21 LEU A 27 0.054 -1.504 1.221 1.00 0.00 H ATOM 45 HD22 LEU A 27 -1.515 -0.782 0.789 1.00 0.00 H ATOM 46 HD23 LEU A 27 -0.097 -0.523 -0.257 1.00 0.00 H ATOM 47 HD11 LEU A 27 1.671 1.743 2.095 1.00 0.00 H ATOM 48 HD12 LEU A 27 1.931 -0.016 2.004 1.00 0.00 H ATOM 49 HD13 LEU A 27 1.765 0.938 0.510 1.00 0.00 H ATOM 50 H LEU A 27 -0.249 0.364 5.592 1.00 0.00 H ATOM 51 N VAL A 28 -1.565 3.715 3.298 1.00 14.93 N ATOM 52 CA VAL A 28 -2.685 4.645 3.306 1.00 12.06 C ATOM 53 C VAL A 28 -2.945 5.306 1.957 1.00 12.98 C ATOM 54 O VAL A 28 -2.088 5.322 1.072 1.00 12.01 O ATOM 55 CB VAL A 28 -2.432 5.778 4.319 1.00 12.57 C ATOM 56 CG1 VAL A 28 -2.249 5.203 5.716 1.00 12.10 C ATOM 57 CG2 VAL A 28 -1.183 6.562 3.906 1.00 11.55 C ATOM 58 HA VAL A 28 -3.553 4.042 3.571 1.00 0.00 H ATOM 59 HB VAL A 28 -3.292 6.448 4.329 1.00 0.00 H ATOM 60 HG11 VAL A 28 -3.149 4.660 6.005 1.00 0.00 H ATOM 61 HG12 VAL A 28 -1.396 4.524 5.719 1.00 0.00 H ATOM 62 HG13 VAL A 28 -2.071 6.015 6.421 1.00 0.00 H ATOM 63 HG21 VAL A 28 -0.324 5.891 3.888 1.00 0.00 H ATOM 64 HG22 VAL A 28 -1.334 6.988 2.914 1.00 0.00 H ATOM 65 HG23 VAL A 28 -1.005 7.363 4.623 1.00 0.00 H ATOM 66 H VAL A 28 -0.698 3.971 2.784 1.00 0.00 H ATOM 67 N ARG A 29 -4.138 5.869 1.821 1.00 10.95 N ATOM 68 CA ARG A 29 -4.506 6.563 0.602 1.00 11.58 C ATOM 69 C ARG A 29 -5.065 7.917 1.002 1.00 12.11 C ATOM 70 O ARG A 29 -6.082 8.008 1.688 1.00 11.79 O ATOM 71 CB ARG A 29 -5.533 5.751 -0.190 1.00 11.91 C ATOM 72 CG ARG A 29 -4.929 4.486 -0.786 1.00 13.85 C ATOM 73 CD ARG A 29 -5.872 3.750 -1.725 1.00 16.63 C ATOM 74 NE ARG A 29 -5.238 2.526 -2.208 1.00 16.47 N ATOM 75 CZ ARG A 29 -5.753 1.308 -2.069 1.00 19.20 C ATOM 76 NH1 ARG A 29 -6.925 1.139 -1.467 1.00 17.47 N ATOM 77 NH2 ARG A 29 -5.082 0.254 -2.514 1.00 21.09 N ATOM 78 HA ARG A 29 -3.639 6.693 -0.045 1.00 0.00 H ATOM 79 HB2 ARG A 29 -6.349 5.471 0.476 1.00 0.00 H ATOM 80 HB3 ARG A 29 -5.922 6.370 -0.999 1.00 0.00 H ATOM 81 HG2 ARG A 29 -4.032 4.760 -1.342 1.00 0.00 H ATOM 82 HG3 ARG A 29 -4.659 3.815 0.029 1.00 0.00 H ATOM 83 HD2 ARG A 29 -6.112 4.392 -2.573 1.00 0.00 H ATOM 84 HD3 ARG A 29 -6.788 3.497 -1.192 1.00 0.00 H ATOM 85 HE ARG A 29 -4.322 2.613 -2.693 1.00 0.00 H ATOM 86 HH12 ARG A 29 -7.322 0.184 -1.361 1.00 0.00 H ATOM 87 HH11 ARG A 29 -7.445 1.962 -1.101 1.00 0.00 H ATOM 88 HH22 ARG A 29 -5.482 -0.700 -2.407 1.00 0.00 H ATOM 89 HH21 ARG A 29 -4.156 0.382 -2.970 1.00 0.00 H ATOM 90 H ARG A 29 -4.822 5.812 2.602 1.00 0.00 H ATOM 91 N PRO A 30 -4.376 8.992 0.611 1.00 12.20 N ATOM 92 CA PRO A 30 -4.844 10.334 0.957 1.00 12.23 C ATOM 93 C PRO A 30 -6.123 10.742 0.250 1.00 11.03 C ATOM 94 O PRO A 30 -6.348 10.397 -0.914 1.00 10.34 O ATOM 95 CB PRO A 30 -3.655 11.226 0.589 1.00 13.17 C ATOM 96 CG PRO A 30 -2.977 10.467 -0.499 1.00 17.52 C ATOM 97 CD PRO A 30 -3.045 9.042 -0.018 1.00 12.56 C ATOM 98 HA PRO A 30 -5.126 10.408 2.007 1.00 0.00 H ATOM 99 HD3 PRO A 30 -2.973 8.340 -0.849 1.00 0.00 H ATOM 100 HD2 PRO A 30 -2.257 8.830 0.705 1.00 0.00 H ATOM 101 HG3 PRO A 30 -1.943 10.791 -0.617 1.00 0.00 H ATOM 102 HG2 PRO A 30 -3.504 10.586 -1.446 1.00 0.00 H ATOM 103 HB2 PRO A 30 -3.993 12.200 0.234 1.00 0.00 H ATOM 104 HB3 PRO A 30 -2.991 11.362 1.442 1.00 0.00 H ATOM 105 N LYS A 31 -6.969 11.464 0.975 1.00 11.38 N ATOM 106 CA LYS A 31 -8.214 11.955 0.412 1.00 12.15 C ATOM 107 C LYS A 31 -7.837 13.040 -0.598 1.00 12.16 C ATOM 108 O LYS A 31 -6.688 13.483 -0.637 1.00 12.14 O ATOM 109 CB LYS A 31 -9.115 12.475 1.535 1.00 9.79 C ATOM 110 CG LYS A 31 -9.548 11.347 2.472 1.00 10.04 C ATOM 111 CD LYS A 31 -10.354 11.830 3.669 1.00 10.97 C ATOM 112 CE LYS A 31 -10.700 10.655 4.580 1.00 12.29 C ATOM 113 NZ LYS A 31 -11.381 11.065 5.841 1.00 15.13 N ATOM 114 HA LYS A 31 -8.780 11.174 -0.095 1.00 0.00 H ATOM 115 HB2 LYS A 31 -8.570 13.224 2.110 1.00 0.00 H ATOM 116 HB3 LYS A 31 -10.002 12.931 1.096 1.00 0.00 H ATOM 117 HG2 LYS A 31 -10.158 10.643 1.906 1.00 0.00 H ATOM 118 HG3 LYS A 31 -8.655 10.840 2.838 1.00 0.00 H ATOM 119 HD2 LYS A 31 -9.767 12.559 4.228 1.00 0.00 H ATOM 120 HD3 LYS A 31 -11.274 12.298 3.319 1.00 0.00 H ATOM 121 HE2 LYS A 31 -9.778 10.134 4.838 1.00 0.00 H ATOM 122 HE3 LYS A 31 -11.358 9.978 4.036 1.00 0.00 H ATOM 123 HZ1 LYS A 31 -10.760 11.704 6.377 1.00 0.00 H ATOM 124 HZ2 LYS A 31 -12.269 11.555 5.611 1.00 0.00 H ATOM 125 HZ3 LYS A 31 -11.587 10.221 6.412 1.00 0.00 H ATOM 126 H LYS A 31 -6.736 11.682 1.965 1.00 0.00 H ATOM 127 N PRO A 32 -8.796 13.485 -1.427 1.00 13.75 N ATOM 128 CA PRO A 32 -8.543 14.508 -2.447 1.00 13.40 C ATOM 129 C PRO A 32 -7.691 15.733 -2.109 1.00 14.70 C ATOM 130 O PRO A 32 -6.725 16.025 -2.818 1.00 13.74 O ATOM 131 CB PRO A 32 -9.951 14.882 -2.907 1.00 14.78 C ATOM 132 CG PRO A 32 -10.662 13.562 -2.831 1.00 12.69 C ATOM 133 CD PRO A 32 -10.209 13.061 -1.463 1.00 14.24 C ATOM 134 HA PRO A 32 -7.883 14.081 -3.202 1.00 0.00 H ATOM 135 HD3 PRO A 32 -10.782 13.527 -0.662 1.00 0.00 H ATOM 136 HD2 PRO A 32 -10.299 11.977 -1.389 1.00 0.00 H ATOM 137 HG3 PRO A 32 -10.344 12.890 -3.628 1.00 0.00 H ATOM 138 HG2 PRO A 32 -11.744 13.687 -2.873 1.00 0.00 H ATOM 139 HB2 PRO A 32 -10.404 15.616 -2.241 1.00 0.00 H ATOM 140 HB3 PRO A 32 -9.946 15.272 -3.925 1.00 0.00 H ATOM 141 N LEU A 33 -8.038 16.449 -1.043 1.00 14.15 N ATOM 142 CA LEU A 33 -7.297 17.655 -0.688 1.00 16.06 C ATOM 143 C LEU A 33 -5.854 17.364 -0.282 1.00 13.74 C ATOM 144 O LEU A 33 -4.933 18.061 -0.708 1.00 14.02 O ATOM 145 CB LEU A 33 -8.022 18.412 0.428 1.00 19.79 C ATOM 146 CG LEU A 33 -7.593 19.873 0.596 1.00 23.95 C ATOM 147 CD1 LEU A 33 -7.806 20.626 -0.713 1.00 26.35 C ATOM 148 CD2 LEU A 33 -8.393 20.515 1.720 1.00 25.91 C ATOM 149 HA LEU A 33 -7.254 18.277 -1.582 1.00 0.00 H ATOM 150 HB2 LEU A 33 -9.090 18.395 0.212 1.00 0.00 H ATOM 151 HB3 LEU A 33 -7.834 17.893 1.368 1.00 0.00 H ATOM 152 HG LEU A 33 -6.535 19.916 0.853 1.00 0.00 H ATOM 153 HD21 LEU A 33 -9.455 20.475 1.477 1.00 0.00 H ATOM 154 HD22 LEU A 33 -8.210 19.975 2.649 1.00 0.00 H ATOM 155 HD23 LEU A 33 -8.085 21.554 1.836 1.00 0.00 H ATOM 156 HD11 LEU A 33 -7.210 20.162 -1.499 1.00 0.00 H ATOM 157 HD12 LEU A 33 -8.861 20.588 -0.985 1.00 0.00 H ATOM 158 HD13 LEU A 33 -7.499 21.664 -0.587 1.00 0.00 H ATOM 159 H LEU A 33 -8.843 16.147 -0.458 1.00 0.00 H ATOM 160 N LEU A 34 -5.650 16.339 0.538 1.00 12.71 N ATOM 161 CA LEU A 34 -4.296 15.984 0.942 1.00 12.45 C ATOM 162 C LEU A 34 -3.498 15.484 -0.264 1.00 12.08 C ATOM 163 O LEU A 34 -2.316 15.795 -0.404 1.00 11.80 O ATOM 164 CB LEU A 34 -4.317 14.908 2.030 1.00 11.93 C ATOM 165 CG LEU A 34 -2.944 14.383 2.473 1.00 14.50 C ATOM 166 CD1 LEU A 34 -2.039 15.543 2.879 1.00 14.53 C ATOM 167 CD2 LEU A 34 -3.118 13.423 3.635 1.00 13.46 C ATOM 168 HA LEU A 34 -3.817 16.877 1.345 1.00 0.00 H ATOM 169 HB2 LEU A 34 -4.815 15.326 2.905 1.00 0.00 H ATOM 170 HB3 LEU A 34 -4.894 14.063 1.655 1.00 0.00 H ATOM 171 HG LEU A 34 -2.478 13.857 1.640 1.00 0.00 H ATOM 172 HD21 LEU A 34 -3.593 13.943 4.466 1.00 0.00 H ATOM 173 HD22 LEU A 34 -3.743 12.586 3.323 1.00 0.00 H ATOM 174 HD23 LEU A 34 -2.142 13.052 3.947 1.00 0.00 H ATOM 175 HD11 LEU A 34 -1.907 16.214 2.030 1.00 0.00 H ATOM 176 HD12 LEU A 34 -2.496 16.087 3.706 1.00 0.00 H ATOM 177 HD13 LEU A 34 -1.070 15.154 3.190 1.00 0.00 H ATOM 178 H LEU A 34 -6.458 15.789 0.892 1.00 0.00 H ATOM 179 N LEU A 35 -4.135 14.706 -1.137 1.00 10.13 N ATOM 180 CA LEU A 35 -3.426 14.201 -2.307 1.00 10.17 C ATOM 181 C LEU A 35 -2.953 15.374 -3.165 1.00 11.06 C ATOM 182 O LEU A 35 -1.864 15.341 -3.731 1.00 12.04 O ATOM 183 CB LEU A 35 -4.325 13.279 -3.138 1.00 12.59 C ATOM 184 CG LEU A 35 -3.625 12.598 -4.322 1.00 11.86 C ATOM 185 CD1 LEU A 35 -2.470 11.756 -3.815 1.00 15.25 C ATOM 186 CD2 LEU A 35 -4.622 11.715 -5.088 1.00 15.28 C ATOM 187 HA LEU A 35 -2.566 13.624 -1.967 1.00 0.00 H ATOM 188 HB2 LEU A 35 -4.715 12.502 -2.481 1.00 0.00 H ATOM 189 HB3 LEU A 35 -5.152 13.872 -3.528 1.00 0.00 H ATOM 190 HG LEU A 35 -3.242 13.362 -4.998 1.00 0.00 H ATOM 191 HD21 LEU A 35 -5.018 10.951 -4.419 1.00 0.00 H ATOM 192 HD22 LEU A 35 -5.439 12.332 -5.462 1.00 0.00 H ATOM 193 HD23 LEU A 35 -4.113 11.237 -5.925 1.00 0.00 H ATOM 194 HD11 LEU A 35 -1.759 12.395 -3.292 1.00 0.00 H ATOM 195 HD12 LEU A 35 -2.849 10.996 -3.132 1.00 0.00 H ATOM 196 HD13 LEU A 35 -1.976 11.274 -4.659 1.00 0.00 H ATOM 197 H LEU A 35 -5.134 14.460 -0.985 1.00 0.00 H ATOM 198 N LYS A 36 -3.778 16.411 -3.261 1.00 13.70 N ATOM 199 CA LYS A 36 -3.423 17.593 -4.040 1.00 15.26 C ATOM 200 C LYS A 36 -2.144 18.207 -3.477 1.00 15.16 C ATOM 201 O LYS A 36 -1.227 18.562 -4.218 1.00 15.36 O ATOM 202 CB LYS A 36 -4.551 18.628 -3.986 1.00 18.28 C ATOM 203 CG LYS A 36 -4.206 19.949 -4.674 1.00 23.39 C ATOM 204 CD LYS A 36 -5.302 20.994 -4.499 1.00 27.75 C ATOM 205 CE LYS A 36 -6.527 20.697 -5.358 1.00 31.90 C ATOM 206 NZ LYS A 36 -7.171 19.390 -5.036 1.00 34.22 N ATOM 207 HA LYS A 36 -3.266 17.297 -5.077 1.00 0.00 H ATOM 208 HB2 LYS A 36 -5.430 18.205 -4.473 1.00 0.00 H ATOM 209 HB3 LYS A 36 -4.780 18.834 -2.940 1.00 0.00 H ATOM 210 HG2 LYS A 36 -3.281 20.336 -4.247 1.00 0.00 H ATOM 211 HG3 LYS A 36 -4.064 19.764 -5.739 1.00 0.00 H ATOM 212 HD2 LYS A 36 -5.604 21.014 -3.452 1.00 0.00 H ATOM 213 HD3 LYS A 36 -4.905 21.969 -4.780 1.00 0.00 H ATOM 214 HE2 LYS A 36 -6.221 20.684 -6.404 1.00 0.00 H ATOM 215 HE3 LYS A 36 -7.258 21.491 -5.204 1.00 0.00 H ATOM 216 HZ1 LYS A 36 -6.487 18.621 -5.188 1.00 0.00 H ATOM 217 HZ2 LYS A 36 -7.477 19.391 -4.042 1.00 0.00 H ATOM 218 HZ3 LYS A 36 -7.995 19.250 -5.654 1.00 0.00 H ATOM 219 H LYS A 36 -4.695 16.380 -2.771 1.00 0.00 H ATOM 220 N LEU A 37 -2.090 18.329 -2.156 1.00 13.85 N ATOM 221 CA LEU A 37 -0.926 18.899 -1.498 1.00 13.64 C ATOM 222 C LEU A 37 0.326 18.064 -1.759 1.00 12.93 C ATOM 223 O LEU A 37 1.376 18.607 -2.105 1.00 14.02 O ATOM 224 CB LEU A 37 -1.178 19.017 0.009 1.00 15.00 C ATOM 225 CG LEU A 37 -0.087 19.681 0.859 1.00 16.12 C ATOM 226 CD1 LEU A 37 -0.686 20.163 2.177 1.00 16.91 C ATOM 227 CD2 LEU A 37 1.049 18.702 1.112 1.00 16.66 C ATOM 228 HA LEU A 37 -0.758 19.893 -1.913 1.00 0.00 H ATOM 229 HB2 LEU A 37 -2.093 19.594 0.143 1.00 0.00 H ATOM 230 HB3 LEU A 37 -1.325 18.009 0.396 1.00 0.00 H ATOM 231 HG LEU A 37 0.316 20.540 0.322 1.00 0.00 H ATOM 232 HD21 LEU A 37 0.664 17.830 1.641 1.00 0.00 H ATOM 233 HD22 LEU A 37 1.478 18.391 0.159 1.00 0.00 H ATOM 234 HD23 LEU A 37 1.816 19.186 1.716 1.00 0.00 H ATOM 235 HD11 LEU A 37 -1.476 20.885 1.973 1.00 0.00 H ATOM 236 HD12 LEU A 37 -1.100 19.313 2.719 1.00 0.00 H ATOM 237 HD13 LEU A 37 0.092 20.634 2.778 1.00 0.00 H ATOM 238 H LEU A 37 -2.896 18.011 -1.581 1.00 0.00 H ATOM 239 N LEU A 38 0.218 16.749 -1.592 1.00 11.31 N ATOM 240 CA LEU A 38 1.360 15.867 -1.818 1.00 11.82 C ATOM 241 C LEU A 38 1.870 15.991 -3.255 1.00 13.39 C ATOM 242 O LEU A 38 3.077 16.087 -3.491 1.00 11.79 O ATOM 243 CB LEU A 38 0.978 14.409 -1.533 1.00 15.14 C ATOM 244 CG LEU A 38 0.425 14.070 -0.145 1.00 16.54 C ATOM 245 CD1 LEU A 38 0.287 12.560 -0.027 1.00 16.42 C ATOM 246 CD2 LEU A 38 1.344 14.608 0.949 1.00 18.01 C ATOM 247 HA LEU A 38 2.155 16.170 -1.136 1.00 0.00 H ATOM 248 HB2 LEU A 38 0.221 14.123 -2.263 1.00 0.00 H ATOM 249 HB3 LEU A 38 1.872 13.804 -1.683 1.00 0.00 H ATOM 250 HG LEU A 38 -0.551 14.539 -0.020 1.00 0.00 H ATOM 251 HD21 LEU A 38 2.332 14.160 0.844 1.00 0.00 H ATOM 252 HD22 LEU A 38 1.423 15.691 0.856 1.00 0.00 H ATOM 253 HD23 LEU A 38 0.931 14.355 1.926 1.00 0.00 H ATOM 254 HD11 LEU A 38 -0.396 12.198 -0.796 1.00 0.00 H ATOM 255 HD12 LEU A 38 1.264 12.096 -0.159 1.00 0.00 H ATOM 256 HD13 LEU A 38 -0.106 12.308 0.958 1.00 0.00 H ATOM 257 H LEU A 38 -0.693 16.343 -1.296 1.00 0.00 H ATOM 258 N LYS A 39 0.949 15.984 -4.212 1.00 12.42 N ATOM 259 CA LYS A 39 1.317 16.105 -5.620 1.00 16.02 C ATOM 260 C LYS A 39 2.023 17.430 -5.897 1.00 16.14 C ATOM 261 O LYS A 39 2.935 17.488 -6.720 1.00 16.12 O ATOM 262 CB LYS A 39 0.073 16.017 -6.510 1.00 17.87 C ATOM 263 CG LYS A 39 -0.687 14.707 -6.433 1.00 22.92 C ATOM 264 CD LYS A 39 0.099 13.570 -7.034 1.00 25.74 C ATOM 265 CE LYS A 39 -0.756 12.312 -7.163 1.00 28.82 C ATOM 266 NZ LYS A 39 -1.913 12.510 -8.081 1.00 30.59 N ATOM 267 HA LYS A 39 1.996 15.283 -5.848 1.00 0.00 H ATOM 268 HB2 LYS A 39 -0.606 16.818 -6.220 1.00 0.00 H ATOM 269 HB3 LYS A 39 0.387 16.165 -7.543 1.00 0.00 H ATOM 270 HG2 LYS A 39 -0.894 14.480 -5.387 1.00 0.00 H ATOM 271 HG3 LYS A 39 -1.627 14.812 -6.974 1.00 0.00 H ATOM 272 HD2 LYS A 39 0.450 13.864 -8.023 1.00 0.00 H ATOM 273 HD3 LYS A 39 0.956 13.354 -6.396 1.00 0.00 H ATOM 274 HE2 LYS A 39 -1.132 12.040 -6.177 1.00 0.00 H ATOM 275 HE3 LYS A 39 -0.135 11.503 -7.549 1.00 0.00 H ATOM 276 HZ1 LYS A 39 -2.516 13.275 -7.717 1.00 0.00 H ATOM 277 HZ2 LYS A 39 -1.564 12.763 -9.027 1.00 0.00 H ATOM 278 HZ3 LYS A 39 -2.464 11.630 -8.137 1.00 0.00 H ATOM 279 H LYS A 39 -0.054 15.891 -3.954 1.00 0.00 H ATOM 280 N SER A 40 1.602 18.491 -5.210 1.00 15.99 N ATOM 281 CA SER A 40 2.195 19.810 -5.416 1.00 15.55 C ATOM 282 C SER A 40 3.677 19.832 -5.067 1.00 16.35 C ATOM 283 O SER A 40 4.396 20.744 -5.471 1.00 15.29 O ATOM 284 CB SER A 40 1.455 20.877 -4.595 1.00 16.95 C ATOM 285 OG SER A 40 1.865 20.871 -3.237 1.00 17.13 O ATOM 286 HA SER A 40 2.095 20.038 -6.477 1.00 0.00 H ATOM 287 HB2 SER A 40 0.384 20.680 -4.642 1.00 0.00 H ATOM 288 HB3 SER A 40 1.661 21.858 -5.022 1.00 0.00 H ATOM 289 HG SER A 40 1.675 19.984 -2.840 1.00 0.00 H ATOM 290 H SER A 40 0.837 18.378 -4.514 1.00 0.00 H ATOM 291 N VAL A 41 4.138 18.839 -4.312 1.00 14.81 N ATOM 292 CA VAL A 41 5.545 18.786 -3.949 1.00 14.73 C ATOM 293 C VAL A 41 6.267 17.558 -4.495 1.00 15.48 C ATOM 294 O VAL A 41 7.274 17.121 -3.939 1.00 17.41 O ATOM 295 CB VAL A 41 5.755 18.896 -2.411 1.00 15.21 C ATOM 296 CG1 VAL A 41 5.498 20.332 -1.967 1.00 16.29 C ATOM 297 CG2 VAL A 41 4.827 17.941 -1.669 1.00 14.71 C ATOM 298 HA VAL A 41 5.994 19.658 -4.425 1.00 0.00 H ATOM 299 HB VAL A 41 6.783 18.621 -2.174 1.00 0.00 H ATOM 300 HG11 VAL A 41 6.192 20.999 -2.479 1.00 0.00 H ATOM 301 HG12 VAL A 41 4.474 20.610 -2.216 1.00 0.00 H ATOM 302 HG13 VAL A 41 5.645 20.410 -0.890 1.00 0.00 H ATOM 303 HG21 VAL A 41 3.791 18.189 -1.902 1.00 0.00 H ATOM 304 HG22 VAL A 41 5.036 16.918 -1.981 1.00 0.00 H ATOM 305 HG23 VAL A 41 4.992 18.036 -0.596 1.00 0.00 H ATOM 306 H VAL A 41 3.489 18.097 -3.980 1.00 0.00 H ATOM 307 N GLY A 42 5.742 16.992 -5.580 1.00 14.81 N ATOM 308 CA GLY A 42 6.414 15.866 -6.209 1.00 15.96 C ATOM 309 C GLY A 42 5.812 14.478 -6.202 1.00 16.70 C ATOM 310 O GLY A 42 6.196 13.648 -7.026 1.00 17.26 O ATOM 311 HA3 GLY A 42 7.388 15.781 -5.727 1.00 0.00 H ATOM 312 HA2 GLY A 42 6.551 16.136 -7.256 1.00 0.00 H ATOM 313 H GLY A 42 4.852 17.355 -5.977 1.00 0.00 H ATOM 314 N ALA A 43 4.885 14.215 -5.287 1.00 15.17 N ATOM 315 CA ALA A 43 4.260 12.897 -5.188 1.00 15.55 C ATOM 316 C ALA A 43 3.614 12.504 -6.513 1.00 16.28 C ATOM 317 O ALA A 43 3.022 13.340 -7.191 1.00 15.35 O ATOM 318 CB ALA A 43 3.224 12.897 -4.070 1.00 13.17 C ATOM 319 HA ALA A 43 5.031 12.162 -4.957 1.00 0.00 H ATOM 320 HB1 ALA A 43 3.711 13.137 -3.125 1.00 0.00 H ATOM 321 HB2 ALA A 43 2.459 13.643 -4.285 1.00 0.00 H ATOM 322 HB3 ALA A 43 2.763 11.911 -4.003 1.00 0.00 H ATOM 323 H ALA A 43 4.597 14.964 -4.626 1.00 0.00 H ATOM 324 N GLN A 44 3.716 11.225 -6.866 1.00 18.31 N ATOM 325 CA GLN A 44 3.175 10.732 -8.129 1.00 21.12 C ATOM 326 C GLN A 44 2.148 9.612 -7.965 1.00 22.16 C ATOM 327 O GLN A 44 1.460 9.256 -8.920 1.00 23.09 O ATOM 328 CB GLN A 44 4.317 10.201 -9.005 1.00 23.44 C ATOM 329 CG GLN A 44 5.497 11.145 -9.193 1.00 26.97 C ATOM 330 CD GLN A 44 5.191 12.291 -10.136 1.00 29.61 C ATOM 331 OE1 GLN A 44 4.708 12.080 -11.249 1.00 32.32 O ATOM 332 NE2 GLN A 44 5.483 13.513 -9.702 1.00 31.13 N ATOM 333 HA GLN A 44 2.668 11.580 -8.589 1.00 0.00 H ATOM 334 HB2 GLN A 44 4.690 9.284 -8.550 1.00 0.00 H ATOM 335 HB3 GLN A 44 3.908 9.976 -9.990 1.00 0.00 H ATOM 336 HG2 GLN A 44 5.771 11.557 -8.222 1.00 0.00 H ATOM 337 HG3 GLN A 44 6.336 10.578 -9.596 1.00 0.00 H ATOM 338 HE22 GLN A 44 5.890 13.645 -8.754 1.00 0.00 H ATOM 339 HE21 GLN A 44 5.304 14.337 -10.310 1.00 0.00 H ATOM 340 H GLN A 44 4.194 10.559 -6.225 1.00 0.00 H ATOM 341 N LYS A 45 2.049 9.061 -6.761 1.00 21.35 N ATOM 342 CA LYS A 45 1.143 7.944 -6.493 1.00 21.94 C ATOM 343 C LYS A 45 -0.177 8.299 -5.817 1.00 19.99 C ATOM 344 O LYS A 45 -0.460 9.461 -5.541 1.00 19.46 O ATOM 345 CB LYS A 45 1.869 6.918 -5.622 1.00 22.65 C ATOM 346 CG LYS A 45 3.027 6.233 -6.307 1.00 26.54 C ATOM 347 CD LYS A 45 4.200 6.036 -5.362 1.00 28.22 C ATOM 348 CE LYS A 45 3.824 5.311 -4.084 1.00 29.25 C ATOM 349 NZ LYS A 45 5.023 5.142 -3.219 1.00 28.91 N ATOM 350 HA LYS A 45 0.872 7.559 -7.476 1.00 0.00 H ATOM 351 HB2 LYS A 45 2.249 7.428 -4.737 1.00 0.00 H ATOM 352 HB3 LYS A 45 1.151 6.156 -5.320 1.00 0.00 H ATOM 353 HG2 LYS A 45 2.698 5.259 -6.670 1.00 0.00 H ATOM 354 HG3 LYS A 45 3.351 6.843 -7.150 1.00 0.00 H ATOM 355 HD2 LYS A 45 4.966 5.456 -5.877 1.00 0.00 H ATOM 356 HD3 LYS A 45 4.602 7.015 -5.100 1.00 0.00 H ATOM 357 HE2 LYS A 45 3.417 4.331 -4.332 1.00 0.00 H ATOM 358 HE3 LYS A 45 3.072 5.890 -3.549 1.00 0.00 H ATOM 359 HZ1 LYS A 45 5.741 4.587 -3.728 1.00 0.00 H ATOM 360 HZ2 LYS A 45 5.411 6.077 -2.980 1.00 0.00 H ATOM 361 HZ3 LYS A 45 4.752 4.644 -2.347 1.00 0.00 H ATOM 362 H LYS A 45 2.633 9.435 -5.986 1.00 0.00 H ATOM 363 N ASP A 46 -0.977 7.268 -5.553 1.00 19.82 N ATOM 364 CA ASP A 46 -2.256 7.431 -4.873 1.00 19.42 C ATOM 365 C ASP A 46 -2.259 6.602 -3.587 1.00 17.95 C ATOM 366 O ASP A 46 -3.107 6.797 -2.720 1.00 16.83 O ATOM 367 CB ASP A 46 -3.422 7.014 -5.780 1.00 22.59 C ATOM 368 CG ASP A 46 -3.275 5.610 -6.317 1.00 25.37 C ATOM 369 OD1 ASP A 46 -3.178 4.666 -5.506 1.00 28.58 O ATOM 370 OD2 ASP A 46 -3.263 5.452 -7.556 1.00 28.69 O ATOM 371 HA ASP A 46 -2.388 8.484 -4.626 1.00 0.00 H ATOM 372 HB2 ASP A 46 -4.347 7.072 -5.207 1.00 0.00 H ATOM 373 HB3 ASP A 46 -3.473 7.705 -6.621 1.00 0.00 H ATOM 374 H ASP A 46 -0.679 6.314 -5.842 1.00 0.00 H ATOM 375 N THR A 47 -1.298 5.687 -3.471 1.00 16.47 N ATOM 376 CA THR A 47 -1.164 4.834 -2.288 1.00 16.06 C ATOM 377 C THR A 47 0.244 5.017 -1.732 1.00 15.60 C ATOM 378 O THR A 47 1.226 4.875 -2.459 1.00 16.22 O ATOM 379 CB THR A 47 -1.394 3.356 -2.643 1.00 17.90 C ATOM 380 OG1 THR A 47 -2.699 3.209 -3.216 1.00 18.61 O ATOM 381 CG2 THR A 47 -1.291 2.479 -1.399 1.00 18.93 C ATOM 382 HA THR A 47 -1.913 5.118 -1.548 1.00 0.00 H ATOM 383 HB THR A 47 -0.630 3.043 -3.355 1.00 0.00 H ATOM 384 HG1 THR A 47 -2.763 3.762 -4.034 1.00 0.00 H ATOM 385 HG23 THR A 47 -0.299 2.588 -0.960 1.00 0.00 H ATOM 386 HG21 THR A 47 -2.046 2.787 -0.675 1.00 0.00 H ATOM 387 HG22 THR A 47 -1.455 1.437 -1.676 1.00 0.00 H ATOM 388 H THR A 47 -0.618 5.574 -4.249 1.00 0.00 H ATOM 389 N TYR A 48 0.336 5.320 -0.440 1.00 14.77 N ATOM 390 CA TYR A 48 1.624 5.576 0.206 1.00 14.45 C ATOM 391 C TYR A 48 1.768 4.912 1.567 1.00 13.96 C ATOM 392 O TYR A 48 0.819 4.349 2.107 1.00 13.97 O ATOM 393 CB TYR A 48 1.802 7.080 0.448 1.00 13.13 C ATOM 394 CG TYR A 48 1.651 7.967 -0.762 1.00 14.71 C ATOM 395 CD1 TYR A 48 0.393 8.254 -1.297 1.00 15.95 C ATOM 396 CD2 TYR A 48 2.770 8.521 -1.377 1.00 16.70 C ATOM 397 CE1 TYR A 48 0.259 9.075 -2.422 1.00 16.15 C ATOM 398 CE2 TYR A 48 2.649 9.337 -2.494 1.00 16.68 C ATOM 399 CZ TYR A 48 1.396 9.610 -3.011 1.00 17.86 C ATOM 400 OH TYR A 48 1.294 10.415 -4.120 1.00 19.58 O ATOM 401 HA TYR A 48 2.370 5.165 -0.475 1.00 0.00 H ATOM 402 HB3 TYR A 48 2.801 7.237 0.854 1.00 0.00 H ATOM 403 HB2 TYR A 48 1.060 7.390 1.184 1.00 0.00 H ATOM 404 HD2 TYR A 48 3.761 8.310 -0.974 1.00 0.00 H ATOM 405 HE2 TYR A 48 3.538 9.761 -2.961 1.00 0.00 H ATOM 406 HE1 TYR A 48 -0.728 9.292 -2.831 1.00 0.00 H ATOM 407 HD1 TYR A 48 -0.498 7.832 -0.831 1.00 0.00 H ATOM 408 HH TYR A 48 0.341 10.515 -4.367 1.00 0.00 H ATOM 409 H TYR A 48 -0.533 5.377 0.128 1.00 0.00 H ATOM 410 N THR A 49 2.975 5.005 2.119 1.00 14.80 N ATOM 411 CA THR A 49 3.243 4.510 3.460 1.00 14.13 C ATOM 412 C THR A 49 3.127 5.794 4.280 1.00 14.59 C ATOM 413 O THR A 49 3.239 6.887 3.724 1.00 13.98 O ATOM 414 CB THR A 49 4.682 3.979 3.620 1.00 16.06 C ATOM 415 OG1 THR A 49 5.611 5.005 3.250 1.00 16.96 O ATOM 416 CG2 THR A 49 4.903 2.746 2.756 1.00 16.96 C ATOM 417 HA THR A 49 2.582 3.689 3.737 1.00 0.00 H ATOM 418 HB THR A 49 4.838 3.699 4.662 1.00 0.00 H ATOM 419 HG1 THR A 49 5.456 5.264 2.307 1.00 0.00 H ATOM 420 HG23 THR A 49 4.193 1.971 3.043 1.00 0.00 H ATOM 421 HG21 THR A 49 4.754 3.007 1.708 1.00 0.00 H ATOM 422 HG22 THR A 49 5.920 2.381 2.900 1.00 0.00 H ATOM 423 H THR A 49 3.747 5.443 1.577 1.00 0.00 H ATOM 424 N MET A 50 2.900 5.679 5.582 1.00 12.99 N ATOM 425 CA MET A 50 2.800 6.870 6.421 1.00 15.24 C ATOM 426 C MET A 50 4.108 7.663 6.337 1.00 14.81 C ATOM 427 O MET A 50 4.098 8.891 6.381 1.00 13.42 O ATOM 428 CB MET A 50 2.512 6.473 7.876 1.00 17.86 C ATOM 429 CG MET A 50 2.439 7.638 8.861 1.00 22.89 C ATOM 430 SD MET A 50 1.190 8.888 8.456 1.00 28.06 S ATOM 431 CE MET A 50 -0.295 7.937 8.583 1.00 24.97 C ATOM 432 HA MET A 50 1.979 7.492 6.065 1.00 0.00 H ATOM 433 HB2 MET A 50 1.557 5.949 7.901 1.00 0.00 H ATOM 434 HB3 MET A 50 3.303 5.800 8.206 1.00 0.00 H ATOM 435 HG2 MET A 50 3.414 8.125 8.885 1.00 0.00 H ATOM 436 HG3 MET A 50 2.211 7.236 9.848 1.00 0.00 H ATOM 437 HE1 MET A 50 -0.259 7.112 7.872 1.00 0.00 H ATOM 438 HE2 MET A 50 -0.387 7.542 9.595 1.00 0.00 H ATOM 439 HE3 MET A 50 -1.152 8.573 8.361 1.00 0.00 H ATOM 440 H MET A 50 2.793 4.736 6.007 1.00 0.00 H ATOM 441 N LYS A 51 5.231 6.960 6.211 1.00 15.15 N ATOM 442 CA LYS A 51 6.534 7.624 6.115 1.00 16.06 C ATOM 443 C LYS A 51 6.607 8.537 4.901 1.00 15.21 C ATOM 444 O LYS A 51 7.186 9.621 4.963 1.00 12.58 O ATOM 445 CB LYS A 51 7.669 6.602 6.016 1.00 20.85 C ATOM 446 CG LYS A 51 8.057 5.942 7.320 1.00 27.20 C ATOM 447 CD LYS A 51 9.322 5.111 7.132 1.00 31.42 C ATOM 448 CE LYS A 51 9.763 4.461 8.429 1.00 35.01 C ATOM 449 NZ LYS A 51 11.035 3.703 8.253 1.00 36.49 N ATOM 450 HA LYS A 51 6.647 8.216 7.023 1.00 0.00 H ATOM 451 HB2 LYS A 51 7.360 5.821 5.321 1.00 0.00 H ATOM 452 HB3 LYS A 51 8.548 7.111 5.621 1.00 0.00 H ATOM 453 HG2 LYS A 51 8.238 6.709 8.073 1.00 0.00 H ATOM 454 HG3 LYS A 51 7.246 5.294 7.652 1.00 0.00 H ATOM 455 HD2 LYS A 51 9.127 4.332 6.394 1.00 0.00 H ATOM 456 HD3 LYS A 51 10.121 5.759 6.772 1.00 0.00 H ATOM 457 HE2 LYS A 51 8.985 3.776 8.765 1.00 0.00 H ATOM 458 HE3 LYS A 51 9.913 5.236 9.181 1.00 0.00 H ATOM 459 HZ1 LYS A 51 10.898 2.958 7.540 1.00 0.00 H ATOM 460 HZ2 LYS A 51 11.783 4.353 7.938 1.00 0.00 H ATOM 461 HZ3 LYS A 51 11.308 3.271 9.159 1.00 0.00 H ATOM 462 H LYS A 51 5.183 5.922 6.180 1.00 0.00 H ATOM 463 N GLU A 52 6.040 8.084 3.788 1.00 12.38 N ATOM 464 CA GLU A 52 6.046 8.874 2.568 1.00 12.17 C ATOM 465 C GLU A 52 5.162 10.111 2.731 1.00 10.77 C ATOM 466 O GLU A 52 5.527 11.205 2.300 1.00 10.85 O ATOM 467 CB GLU A 52 5.569 8.025 1.387 1.00 13.33 C ATOM 468 CG GLU A 52 6.542 6.908 1.000 1.00 17.77 C ATOM 469 CD GLU A 52 6.029 6.045 -0.139 1.00 19.82 C ATOM 470 OE1 GLU A 52 4.926 5.477 -0.003 1.00 19.69 O ATOM 471 OE2 GLU A 52 6.727 5.932 -1.170 1.00 22.23 O ATOM 472 HA GLU A 52 7.066 9.204 2.369 1.00 0.00 H ATOM 473 HB2 GLU A 52 4.613 7.573 1.652 1.00 0.00 H ATOM 474 HB3 GLU A 52 5.434 8.678 0.525 1.00 0.00 H ATOM 475 HG2 GLU A 52 7.487 7.359 0.697 1.00 0.00 H ATOM 476 HG3 GLU A 52 6.707 6.273 1.871 1.00 0.00 H ATOM 477 H GLU A 52 5.585 7.149 3.790 1.00 0.00 H ATOM 478 N VAL A 53 3.998 9.931 3.349 1.00 8.70 N ATOM 479 CA VAL A 53 3.079 11.043 3.574 1.00 9.20 C ATOM 480 C VAL A 53 3.755 12.105 4.443 1.00 7.90 C ATOM 481 O VAL A 53 3.680 13.301 4.151 1.00 10.83 O ATOM 482 CB VAL A 53 1.783 10.555 4.251 1.00 8.83 C ATOM 483 CG1 VAL A 53 0.921 11.750 4.666 1.00 9.51 C ATOM 484 CG2 VAL A 53 1.014 9.657 3.288 1.00 9.57 C ATOM 485 HA VAL A 53 2.818 11.477 2.609 1.00 0.00 H ATOM 486 HB VAL A 53 2.037 9.986 5.146 1.00 0.00 H ATOM 487 HG11 VAL A 53 1.478 12.372 5.367 1.00 0.00 H ATOM 488 HG12 VAL A 53 0.664 12.335 3.783 1.00 0.00 H ATOM 489 HG13 VAL A 53 0.009 11.390 5.143 1.00 0.00 H ATOM 490 HG21 VAL A 53 0.765 10.220 2.388 1.00 0.00 H ATOM 491 HG22 VAL A 53 1.631 8.799 3.022 1.00 0.00 H ATOM 492 HG23 VAL A 53 0.098 9.312 3.768 1.00 0.00 H ATOM 493 H VAL A 53 3.737 8.980 3.678 1.00 0.00 H ATOM 494 N LEU A 54 4.418 11.669 5.510 1.00 8.39 N ATOM 495 CA LEU A 54 5.127 12.602 6.386 1.00 8.78 C ATOM 496 C LEU A 54 6.252 13.305 5.624 1.00 9.38 C ATOM 497 O LEU A 54 6.481 14.504 5.807 1.00 9.70 O ATOM 498 CB LEU A 54 5.722 11.863 7.588 1.00 10.50 C ATOM 499 CG LEU A 54 4.737 11.420 8.669 1.00 12.34 C ATOM 500 CD1 LEU A 54 5.447 10.540 9.685 1.00 16.53 C ATOM 501 CD2 LEU A 54 4.148 12.650 9.339 1.00 13.88 C ATOM 502 HA LEU A 54 4.409 13.344 6.736 1.00 0.00 H ATOM 503 HB2 LEU A 54 6.226 10.972 7.213 1.00 0.00 H ATOM 504 HB3 LEU A 54 6.453 12.523 8.055 1.00 0.00 H ATOM 505 HG LEU A 54 3.930 10.840 8.221 1.00 0.00 H ATOM 506 HD21 LEU A 54 4.949 13.235 9.790 1.00 0.00 H ATOM 507 HD22 LEU A 54 3.629 13.254 8.595 1.00 0.00 H ATOM 508 HD23 LEU A 54 3.444 12.340 10.111 1.00 0.00 H ATOM 509 HD11 LEU A 54 5.851 9.661 9.183 1.00 0.00 H ATOM 510 HD12 LEU A 54 6.259 11.102 10.146 1.00 0.00 H ATOM 511 HD13 LEU A 54 4.738 10.228 10.452 1.00 0.00 H ATOM 512 H LEU A 54 4.433 10.651 5.725 1.00 0.00 H ATOM 513 N PHE A 55 6.965 12.566 4.778 1.00 10.09 N ATOM 514 CA PHE A 55 8.052 13.175 4.014 1.00 9.48 C ATOM 515 C PHE A 55 7.535 14.330 3.152 1.00 10.13 C ATOM 516 O PHE A 55 8.081 15.437 3.174 1.00 8.67 O ATOM 517 CB PHE A 55 8.736 12.146 3.107 1.00 11.13 C ATOM 518 CG PHE A 55 9.699 12.758 2.127 1.00 10.77 C ATOM 519 CD1 PHE A 55 10.937 13.231 2.547 1.00 11.91 C ATOM 520 CD2 PHE A 55 9.353 12.892 0.784 1.00 11.82 C ATOM 521 CE1 PHE A 55 11.819 13.832 1.647 1.00 12.16 C ATOM 522 CE2 PHE A 55 10.225 13.490 -0.124 1.00 10.67 C ATOM 523 CZ PHE A 55 11.462 13.962 0.308 1.00 11.55 C ATOM 524 HA PHE A 55 8.776 13.555 4.734 1.00 0.00 H ATOM 525 HB2 PHE A 55 9.282 11.442 3.734 1.00 0.00 H ATOM 526 HB3 PHE A 55 7.967 11.612 2.548 1.00 0.00 H ATOM 527 HD2 PHE A 55 8.387 12.524 0.439 1.00 0.00 H ATOM 528 HE2 PHE A 55 9.939 13.588 -1.171 1.00 0.00 H ATOM 529 HZ PHE A 55 12.147 14.431 -0.399 1.00 0.00 H ATOM 530 HE1 PHE A 55 12.786 14.199 1.992 1.00 0.00 H ATOM 531 HD1 PHE A 55 11.223 13.131 3.594 1.00 0.00 H ATOM 532 H PHE A 55 6.749 11.556 4.660 1.00 0.00 H ATOM 533 N TYR A 56 6.479 14.071 2.391 1.00 8.81 N ATOM 534 CA TYR A 56 5.922 15.097 1.526 1.00 9.90 C ATOM 535 C TYR A 56 5.339 16.274 2.305 1.00 9.83 C ATOM 536 O TYR A 56 5.491 17.429 1.905 1.00 9.22 O ATOM 537 CB TYR A 56 4.887 14.475 0.586 1.00 9.22 C ATOM 538 CG TYR A 56 5.521 13.676 -0.542 1.00 11.50 C ATOM 539 CD1 TYR A 56 6.376 14.293 -1.456 1.00 13.05 C ATOM 540 CD2 TYR A 56 5.265 12.309 -0.699 1.00 11.65 C ATOM 541 CE1 TYR A 56 6.963 13.575 -2.502 1.00 13.04 C ATOM 542 CE2 TYR A 56 5.848 11.579 -1.743 1.00 14.02 C ATOM 543 CZ TYR A 56 6.695 12.223 -2.640 1.00 15.61 C ATOM 544 OH TYR A 56 7.266 11.525 -3.680 1.00 16.82 O ATOM 545 HA TYR A 56 6.737 15.510 0.932 1.00 0.00 H ATOM 546 HB3 TYR A 56 4.285 15.274 0.152 1.00 0.00 H ATOM 547 HB2 TYR A 56 4.244 13.812 1.165 1.00 0.00 H ATOM 548 HD2 TYR A 56 4.601 11.804 0.003 1.00 0.00 H ATOM 549 HE2 TYR A 56 5.640 10.515 -1.852 1.00 0.00 H ATOM 550 HE1 TYR A 56 7.628 14.076 -3.205 1.00 0.00 H ATOM 551 HD1 TYR A 56 6.591 15.357 -1.352 1.00 0.00 H ATOM 552 HH TYR A 56 7.834 12.136 -4.213 1.00 0.00 H ATOM 553 H TYR A 56 6.046 13.126 2.414 1.00 0.00 H ATOM 554 N LEU A 57 4.678 15.989 3.422 1.00 10.29 N ATOM 555 CA LEU A 57 4.115 17.054 4.244 1.00 11.78 C ATOM 556 C LEU A 57 5.269 17.944 4.709 1.00 9.70 C ATOM 557 O LEU A 57 5.173 19.169 4.690 1.00 10.63 O ATOM 558 CB LEU A 57 3.397 16.455 5.455 1.00 12.85 C ATOM 559 CG LEU A 57 1.885 16.604 5.672 1.00 18.49 C ATOM 560 CD1 LEU A 57 1.199 17.264 4.498 1.00 17.30 C ATOM 561 CD2 LEU A 57 1.298 15.228 5.954 1.00 14.45 C ATOM 562 HA LEU A 57 3.392 17.635 3.671 1.00 0.00 H ATOM 563 HB2 LEU A 57 3.595 15.384 5.426 1.00 0.00 H ATOM 564 HB3 LEU A 57 3.874 16.887 6.335 1.00 0.00 H ATOM 565 HG LEU A 57 1.715 17.261 6.525 1.00 0.00 H ATOM 566 HD21 LEU A 57 1.489 14.572 5.105 1.00 0.00 H ATOM 567 HD22 LEU A 57 1.763 14.812 6.848 1.00 0.00 H ATOM 568 HD23 LEU A 57 0.223 15.318 6.110 1.00 0.00 H ATOM 569 HD11 LEU A 57 1.618 18.259 4.346 1.00 0.00 H ATOM 570 HD12 LEU A 57 1.354 16.662 3.603 1.00 0.00 H ATOM 571 HD13 LEU A 57 0.131 17.346 4.702 1.00 0.00 H ATOM 572 H LEU A 57 4.561 14.997 3.713 1.00 0.00 H ATOM 573 N GLY A 58 6.366 17.315 5.116 1.00 8.96 N ATOM 574 CA GLY A 58 7.520 18.073 5.573 1.00 9.16 C ATOM 575 C GLY A 58 8.059 18.957 4.468 1.00 10.64 C ATOM 576 O GLY A 58 8.397 20.125 4.693 1.00 11.11 O ATOM 577 HA3 GLY A 58 8.300 17.380 5.889 1.00 0.00 H ATOM 578 HA2 GLY A 58 7.226 18.696 6.418 1.00 0.00 H ATOM 579 H GLY A 58 6.400 16.276 5.108 1.00 0.00 H ATOM 580 N GLN A 59 8.132 18.410 3.260 1.00 9.61 N ATOM 581 CA GLN A 59 8.634 19.177 2.126 1.00 10.17 C ATOM 582 C GLN A 59 7.719 20.336 1.773 1.00 11.20 C ATOM 583 O GLN A 59 8.185 21.384 1.308 1.00 9.98 O ATOM 584 CB GLN A 59 8.841 18.263 0.918 1.00 11.85 C ATOM 585 CG GLN A 59 10.018 17.333 1.121 1.00 14.05 C ATOM 586 CD GLN A 59 11.212 18.080 1.689 1.00 17.13 C ATOM 587 OE1 GLN A 59 11.822 18.912 1.010 1.00 15.85 O ATOM 588 NE2 GLN A 59 11.535 17.808 2.953 1.00 16.31 N ATOM 589 HA GLN A 59 9.594 19.604 2.416 1.00 0.00 H ATOM 590 HB2 GLN A 59 7.941 17.667 0.766 1.00 0.00 H ATOM 591 HB3 GLN A 59 9.022 18.877 0.036 1.00 0.00 H ATOM 592 HG2 GLN A 59 9.731 16.541 1.813 1.00 0.00 H ATOM 593 HG3 GLN A 59 10.295 16.894 0.162 1.00 0.00 H ATOM 594 HE22 GLN A 59 10.993 17.099 3.487 1.00 0.00 H ATOM 595 HE21 GLN A 59 12.329 18.305 3.405 1.00 0.00 H ATOM 596 H GLN A 59 7.828 17.425 3.121 1.00 0.00 H ATOM 597 N TYR A 60 6.421 20.151 1.998 1.00 10.63 N ATOM 598 CA TYR A 60 5.444 21.201 1.724 1.00 11.89 C ATOM 599 C TYR A 60 5.712 22.370 2.677 1.00 12.15 C ATOM 600 O TYR A 60 5.818 23.529 2.257 1.00 11.49 O ATOM 601 CB TYR A 60 4.024 20.673 1.946 1.00 12.89 C ATOM 602 CG TYR A 60 2.953 21.704 1.682 1.00 13.89 C ATOM 603 CD1 TYR A 60 2.528 21.978 0.384 1.00 15.85 C ATOM 604 CD2 TYR A 60 2.384 22.430 2.731 1.00 13.96 C ATOM 605 CE1 TYR A 60 1.562 22.954 0.135 1.00 17.22 C ATOM 606 CE2 TYR A 60 1.420 23.405 2.493 1.00 14.70 C ATOM 607 CZ TYR A 60 1.015 23.662 1.193 1.00 16.00 C ATOM 608 OH TYR A 60 0.067 24.627 0.953 1.00 15.56 O ATOM 609 HA TYR A 60 5.534 21.527 0.688 1.00 0.00 H ATOM 610 HB3 TYR A 60 3.936 20.340 2.980 1.00 0.00 H ATOM 611 HB2 TYR A 60 3.861 19.827 1.279 1.00 0.00 H ATOM 612 HD2 TYR A 60 2.701 22.229 3.754 1.00 0.00 H ATOM 613 HE2 TYR A 60 0.987 23.963 3.323 1.00 0.00 H ATOM 614 HE1 TYR A 60 1.240 23.158 -0.886 1.00 0.00 H ATOM 615 HD1 TYR A 60 2.956 21.422 -0.450 1.00 0.00 H ATOM 616 HH TYR A 60 0.397 25.501 1.281 1.00 0.00 H ATOM 617 H TYR A 60 6.095 19.239 2.377 1.00 0.00 H ATOM 618 N ILE A 61 5.833 22.055 3.963 1.00 11.07 N ATOM 619 CA ILE A 61 6.101 23.064 4.978 1.00 11.68 C ATOM 620 C ILE A 61 7.403 23.809 4.668 1.00 13.70 C ATOM 621 O ILE A 61 7.469 25.028 4.787 1.00 13.65 O ATOM 622 CB ILE A 61 6.165 22.405 6.387 1.00 10.47 C ATOM 623 CG1 ILE A 61 4.765 21.920 6.782 1.00 8.91 C ATOM 624 CG2 ILE A 61 6.717 23.383 7.412 1.00 11.32 C ATOM 625 CD1 ILE A 61 4.730 21.042 8.018 1.00 10.02 C ATOM 626 HA ILE A 61 5.287 23.789 4.972 1.00 0.00 H ATOM 627 HB ILE A 61 6.839 21.549 6.357 1.00 0.00 H ATOM 628 HG12 ILE A 61 4.141 22.794 6.967 1.00 0.00 H ATOM 629 HG13 ILE A 61 4.353 21.351 5.948 1.00 0.00 H ATOM 630 HD11 ILE A 61 5.338 20.154 7.848 1.00 0.00 H ATOM 631 HD12 ILE A 61 5.126 21.598 8.868 1.00 0.00 H ATOM 632 HD13 ILE A 61 3.701 20.746 8.223 1.00 0.00 H ATOM 633 HG21 ILE A 61 7.722 23.687 7.118 1.00 0.00 H ATOM 634 HG22 ILE A 61 6.071 24.259 7.461 1.00 0.00 H ATOM 635 HG23 ILE A 61 6.753 22.901 8.389 1.00 0.00 H ATOM 636 H ILE A 61 5.734 21.061 4.252 1.00 0.00 H ATOM 637 N MET A 62 8.433 23.079 4.253 1.00 14.42 N ATOM 638 CA MET A 62 9.709 23.710 3.926 1.00 16.03 C ATOM 639 C MET A 62 9.626 24.588 2.679 1.00 17.83 C ATOM 640 O MET A 62 10.092 25.729 2.683 1.00 17.29 O ATOM 641 CB MET A 62 10.798 22.656 3.727 1.00 17.19 C ATOM 642 CG MET A 62 11.283 21.971 4.989 1.00 15.48 C ATOM 643 SD MET A 62 12.451 22.983 5.909 1.00 13.51 S ATOM 644 CE MET A 62 13.908 22.800 4.918 1.00 14.39 C ATOM 645 HA MET A 62 9.961 24.350 4.772 1.00 0.00 H ATOM 646 HB2 MET A 62 10.406 21.890 3.058 1.00 0.00 H ATOM 647 HB3 MET A 62 11.654 23.142 3.258 1.00 0.00 H ATOM 648 HG2 MET A 62 11.770 21.035 4.715 1.00 0.00 H ATOM 649 HG3 MET A 62 10.424 21.760 5.626 1.00 0.00 H ATOM 650 HE1 MET A 62 14.185 21.747 4.873 1.00 0.00 H ATOM 651 HE2 MET A 62 13.710 23.169 3.912 1.00 0.00 H ATOM 652 HE3 MET A 62 14.722 23.372 5.362 1.00 0.00 H ATOM 653 H MET A 62 8.329 22.048 4.160 1.00 0.00 H ATOM 654 N THR A 63 9.037 24.053 1.615 1.00 16.77 N ATOM 655 CA THR A 63 8.898 24.787 0.359 1.00 17.46 C ATOM 656 C THR A 63 8.113 26.084 0.551 1.00 18.81 C ATOM 657 O THR A 63 8.465 27.125 -0.005 1.00 17.97 O ATOM 658 CB THR A 63 8.192 23.917 -0.705 1.00 19.10 C ATOM 659 OG1 THR A 63 8.986 22.751 -0.959 1.00 21.79 O ATOM 660 CG2 THR A 63 8.011 24.690 -2.010 1.00 21.80 C ATOM 661 HA THR A 63 9.903 25.036 0.019 1.00 0.00 H ATOM 662 HB THR A 63 7.209 23.635 -0.327 1.00 0.00 H ATOM 663 HG1 THR A 63 9.089 22.235 -0.121 1.00 0.00 H ATOM 664 HG23 THR A 63 7.408 25.579 -1.824 1.00 0.00 H ATOM 665 HG21 THR A 63 8.987 24.986 -2.394 1.00 0.00 H ATOM 666 HG22 THR A 63 7.509 24.055 -2.740 1.00 0.00 H ATOM 667 H THR A 63 8.664 23.084 1.678 1.00 0.00 H ATOM 668 N LYS A 64 7.051 26.014 1.346 1.00 16.73 N ATOM 669 CA LYS A 64 6.209 27.176 1.610 1.00 18.67 C ATOM 670 C LYS A 64 6.782 28.068 2.711 1.00 15.72 C ATOM 671 O LYS A 64 6.287 29.174 2.935 1.00 18.06 O ATOM 672 CB LYS A 64 4.803 26.717 2.003 1.00 20.10 C ATOM 673 CG LYS A 64 4.121 25.827 0.967 1.00 25.65 C ATOM 674 CD LYS A 64 3.358 26.631 -0.071 1.00 28.54 C ATOM 675 CE LYS A 64 2.189 27.366 0.569 1.00 31.71 C ATOM 676 NZ LYS A 64 1.301 28.012 -0.433 1.00 33.44 N ATOM 677 HA LYS A 64 6.171 27.766 0.694 1.00 0.00 H ATOM 678 HB2 LYS A 64 4.874 26.161 2.938 1.00 0.00 H ATOM 679 HB3 LYS A 64 4.184 27.602 2.154 1.00 0.00 H ATOM 680 HG2 LYS A 64 4.881 25.232 0.461 1.00 0.00 H ATOM 681 HG3 LYS A 64 3.424 25.164 1.479 1.00 0.00 H ATOM 682 HD2 LYS A 64 4.031 27.357 -0.527 1.00 0.00 H ATOM 683 HD3 LYS A 64 2.979 25.956 -0.839 1.00 0.00 H ATOM 684 HE2 LYS A 64 2.582 28.135 1.234 1.00 0.00 H ATOM 685 HE3 LYS A 64 1.602 26.652 1.147 1.00 0.00 H ATOM 686 HZ1 LYS A 64 1.848 28.702 -0.986 1.00 0.00 H ATOM 687 HZ2 LYS A 64 0.913 27.287 -1.069 1.00 0.00 H ATOM 688 HZ3 LYS A 64 0.523 28.498 0.057 1.00 0.00 H ATOM 689 H LYS A 64 6.813 25.105 1.793 1.00 0.00 H ATOM 690 N ARG A 65 7.822 27.591 3.391 1.00 15.53 N ATOM 691 CA ARG A 65 8.452 28.349 4.472 1.00 17.77 C ATOM 692 C ARG A 65 7.413 28.698 5.536 1.00 16.14 C ATOM 693 O ARG A 65 7.301 29.852 5.952 1.00 15.95 O ATOM 694 CB ARG A 65 9.064 29.644 3.928 1.00 22.47 C ATOM 695 CG ARG A 65 10.109 29.454 2.839 1.00 26.91 C ATOM 696 CD ARG A 65 11.440 28.973 3.398 1.00 34.14 C ATOM 697 NE ARG A 65 12.478 28.981 2.368 1.00 39.48 N ATOM 698 CZ ARG A 65 13.770 28.765 2.598 1.00 40.75 C ATOM 699 NH1 ARG A 65 14.195 28.520 3.831 1.00 42.58 N ATOM 700 NH2 ARG A 65 14.637 28.797 1.594 1.00 41.05 N ATOM 701 HA ARG A 65 9.238 27.735 4.911 1.00 0.00 H ATOM 702 HB2 ARG A 65 8.258 30.254 3.521 1.00 0.00 H ATOM 703 HB3 ARG A 65 9.533 30.172 4.759 1.00 0.00 H ATOM 704 HG2 ARG A 65 9.742 28.718 2.124 1.00 0.00 H ATOM 705 HG3 ARG A 65 10.264 30.406 2.331 1.00 0.00 H ATOM 706 HD2 ARG A 65 11.321 27.958 3.776 1.00 0.00 H ATOM 707 HD3 ARG A 65 11.742 29.630 4.213 1.00 0.00 H ATOM 708 HE ARG A 65 12.186 29.169 1.388 1.00 0.00 H ATOM 709 HH12 ARG A 65 15.206 28.351 4.009 1.00 0.00 H ATOM 710 HH11 ARG A 65 13.517 28.497 4.620 1.00 0.00 H ATOM 711 HH22 ARG A 65 15.647 28.628 1.774 1.00 0.00 H ATOM 712 HH21 ARG A 65 14.306 28.991 0.627 1.00 0.00 H ATOM 713 H ARG A 65 8.198 26.652 3.147 1.00 0.00 H ATOM 714 N LEU A 66 6.661 27.696 5.980 1.00 14.79 N ATOM 715 CA LEU A 66 5.614 27.908 6.978 1.00 14.51 C ATOM 716 C LEU A 66 6.107 27.831 8.426 1.00 14.12 C ATOM 717 O LEU A 66 5.372 28.161 9.363 1.00 13.04 O ATOM 718 CB LEU A 66 4.486 26.889 6.765 1.00 15.34 C ATOM 719 CG LEU A 66 3.794 26.881 5.395 1.00 15.43 C ATOM 720 CD1 LEU A 66 2.668 25.856 5.400 1.00 13.43 C ATOM 721 CD2 LEU A 66 3.244 28.269 5.078 1.00 14.30 C ATOM 722 HA LEU A 66 5.255 28.926 6.831 1.00 0.00 H ATOM 723 HB2 LEU A 66 4.907 25.896 6.926 1.00 0.00 H ATOM 724 HB3 LEU A 66 3.722 27.084 7.517 1.00 0.00 H ATOM 725 HG LEU A 66 4.519 26.611 4.627 1.00 0.00 H ATOM 726 HD21 LEU A 66 2.522 28.556 5.843 1.00 0.00 H ATOM 727 HD22 LEU A 66 4.063 28.988 5.062 1.00 0.00 H ATOM 728 HD23 LEU A 66 2.755 28.251 4.104 1.00 0.00 H ATOM 729 HD11 LEU A 66 3.079 24.868 5.606 1.00 0.00 H ATOM 730 HD12 LEU A 66 1.944 26.117 6.172 1.00 0.00 H ATOM 731 HD13 LEU A 66 2.178 25.852 4.426 1.00 0.00 H ATOM 732 H LEU A 66 6.821 26.738 5.608 1.00 0.00 H ATOM 733 N TYR A 67 7.345 27.398 8.617 1.00 13.04 N ATOM 734 CA TYR A 67 7.890 27.284 9.963 1.00 14.44 C ATOM 735 C TYR A 67 8.449 28.596 10.492 1.00 16.10 C ATOM 736 O TYR A 67 8.808 29.487 9.720 1.00 16.84 O ATOM 737 CB TYR A 67 8.968 26.193 9.999 1.00 15.92 C ATOM 738 CG TYR A 67 10.122 26.410 9.044 1.00 17.21 C ATOM 739 CD1 TYR A 67 11.188 27.241 9.382 1.00 18.08 C ATOM 740 CD2 TYR A 67 10.145 25.783 7.798 1.00 19.16 C ATOM 741 CE1 TYR A 67 12.252 27.443 8.504 1.00 21.41 C ATOM 742 CE2 TYR A 67 11.206 25.978 6.911 1.00 20.83 C ATOM 743 CZ TYR A 67 12.254 26.809 7.271 1.00 22.22 C ATOM 744 OH TYR A 67 13.302 27.009 6.402 1.00 26.21 O ATOM 745 HA TYR A 67 7.064 27.011 10.619 1.00 0.00 H ATOM 746 HB3 TYR A 67 8.497 25.242 9.751 1.00 0.00 H ATOM 747 HB2 TYR A 67 9.369 26.146 11.011 1.00 0.00 H ATOM 748 HD2 TYR A 67 9.321 25.130 7.512 1.00 0.00 H ATOM 749 HE2 TYR A 67 11.209 25.479 5.942 1.00 0.00 H ATOM 750 HE1 TYR A 67 13.078 28.096 8.785 1.00 0.00 H ATOM 751 HD1 TYR A 67 11.190 27.742 10.350 1.00 0.00 H ATOM 752 HH TYR A 67 13.958 27.625 6.814 1.00 0.00 H ATOM 753 H TYR A 67 7.932 27.137 7.799 1.00 0.00 H ATOM 754 N ASP A 68 8.501 28.711 11.817 1.00 16.68 N ATOM 755 CA ASP A 68 9.032 29.904 12.472 1.00 18.33 C ATOM 756 C ASP A 68 10.545 29.887 12.288 1.00 19.28 C ATOM 757 O ASP A 68 11.176 28.840 12.402 1.00 19.25 O ATOM 758 CB ASP A 68 8.693 29.888 13.970 1.00 18.05 C ATOM 759 CG ASP A 68 9.100 31.171 14.683 1.00 19.27 C ATOM 760 OD1 ASP A 68 8.341 32.164 14.630 1.00 15.16 O ATOM 761 OD2 ASP A 68 10.187 31.186 15.299 1.00 21.11 O ATOM 762 HA ASP A 68 8.594 30.802 12.037 1.00 0.00 H ATOM 763 HB2 ASP A 68 7.617 29.754 14.082 1.00 0.00 H ATOM 764 HB3 ASP A 68 9.213 29.051 14.436 1.00 0.00 H ATOM 765 H ASP A 68 8.153 27.927 12.405 1.00 0.00 H ATOM 766 N GLU A 69 11.125 31.050 12.009 1.00 21.32 N ATOM 767 CA GLU A 69 12.563 31.158 11.799 1.00 23.02 C ATOM 768 C GLU A 69 13.399 30.842 13.039 1.00 22.04 C ATOM 769 O GLU A 69 14.403 30.141 12.952 1.00 20.25 O ATOM 770 CB GLU A 69 12.910 32.563 11.309 1.00 27.10 C ATOM 771 CG GLU A 69 12.268 32.942 9.985 1.00 33.91 C ATOM 772 CD GLU A 69 12.314 34.439 9.730 1.00 37.66 C ATOM 773 OE1 GLU A 69 13.427 35.005 9.689 1.00 39.73 O ATOM 774 OE2 GLU A 69 11.234 35.050 9.573 1.00 39.83 O ATOM 775 HA GLU A 69 12.814 30.406 11.051 1.00 0.00 H ATOM 776 HB2 GLU A 69 12.583 33.278 12.064 1.00 0.00 H ATOM 777 HB3 GLU A 69 13.992 32.627 11.194 1.00 0.00 H ATOM 778 HG2 GLU A 69 12.797 32.432 9.180 1.00 0.00 H ATOM 779 HG3 GLU A 69 11.227 32.620 9.995 1.00 0.00 H ATOM 780 H GLU A 69 10.537 31.905 11.939 1.00 0.00 H ATOM 781 N LYS A 70 12.976 31.359 14.188 1.00 21.61 N ATOM 782 CA LYS A 70 13.701 31.165 15.443 1.00 21.57 C ATOM 783 C LYS A 70 13.486 29.803 16.103 1.00 20.87 C ATOM 784 O LYS A 70 14.443 29.162 16.545 1.00 21.56 O ATOM 785 CB LYS A 70 13.337 32.291 16.413 1.00 23.86 C ATOM 786 CG LYS A 70 13.650 33.675 15.857 1.00 27.23 C ATOM 787 CD LYS A 70 13.174 34.786 16.775 1.00 30.02 C ATOM 788 CE LYS A 70 13.456 36.145 16.155 1.00 33.81 C ATOM 789 NZ LYS A 70 13.011 37.269 17.025 1.00 36.70 N ATOM 790 HA LYS A 70 14.761 31.192 15.191 1.00 0.00 H ATOM 791 HB2 LYS A 70 12.270 32.235 16.627 1.00 0.00 H ATOM 792 HB3 LYS A 70 13.899 32.151 17.336 1.00 0.00 H ATOM 793 HG2 LYS A 70 14.728 33.765 15.727 1.00 0.00 H ATOM 794 HG3 LYS A 70 13.159 33.784 14.890 1.00 0.00 H ATOM 795 HD2 LYS A 70 12.101 34.682 16.939 1.00 0.00 H ATOM 796 HD3 LYS A 70 13.695 34.711 17.729 1.00 0.00 H ATOM 797 HE2 LYS A 70 12.932 36.211 15.202 1.00 0.00 H ATOM 798 HE3 LYS A 70 14.529 36.237 15.985 1.00 0.00 H ATOM 799 HZ1 LYS A 70 11.986 37.196 17.187 1.00 0.00 H ATOM 800 HZ2 LYS A 70 13.512 37.220 17.935 1.00 0.00 H ATOM 801 HZ3 LYS A 70 13.225 38.173 16.558 1.00 0.00 H ATOM 802 H LYS A 70 12.100 31.920 14.195 1.00 0.00 H ATOM 803 N GLN A 71 12.223 29.391 16.180 1.00 19.23 N ATOM 804 CA GLN A 71 11.833 28.112 16.762 1.00 18.21 C ATOM 805 C GLN A 71 11.201 27.346 15.610 1.00 17.04 C ATOM 806 O GLN A 71 9.984 27.391 15.414 1.00 16.24 O ATOM 807 CB GLN A 71 10.812 28.331 17.879 1.00 16.66 C ATOM 808 CG GLN A 71 11.365 29.148 19.041 1.00 16.54 C ATOM 809 CD GLN A 71 10.320 29.485 20.086 1.00 15.58 C ATOM 810 OE1 GLN A 71 9.396 30.263 19.835 1.00 17.51 O ATOM 811 NE2 GLN A 71 10.458 28.896 21.268 1.00 13.37 N ATOM 812 HA GLN A 71 12.676 27.578 17.202 1.00 0.00 H ATOM 813 HB2 GLN A 71 9.951 28.855 17.465 1.00 0.00 H ATOM 814 HB3 GLN A 71 10.497 27.359 18.257 1.00 0.00 H ATOM 815 HG2 GLN A 71 12.161 28.577 19.519 1.00 0.00 H ATOM 816 HG3 GLN A 71 11.774 30.078 18.647 1.00 0.00 H ATOM 817 HE22 GLN A 71 11.253 28.247 21.436 1.00 0.00 H ATOM 818 HE21 GLN A 71 9.771 29.084 22.026 1.00 0.00 H ATOM 819 H GLN A 71 11.477 30.012 15.807 1.00 0.00 H ATOM 820 N GLN A 72 12.033 26.643 14.849 1.00 17.03 N ATOM 821 CA GLN A 72 11.546 25.932 13.679 1.00 16.38 C ATOM 822 C GLN A 72 10.575 24.771 13.841 1.00 15.37 C ATOM 823 O GLN A 72 10.188 24.150 12.848 1.00 14.28 O ATOM 824 CB GLN A 72 12.742 25.536 12.809 1.00 17.51 C ATOM 825 CG GLN A 72 13.403 26.770 12.194 1.00 21.48 C ATOM 826 CD GLN A 72 14.509 26.447 11.213 1.00 24.52 C ATOM 827 OE1 GLN A 72 14.458 25.441 10.506 1.00 25.74 O ATOM 828 NE2 GLN A 72 15.511 27.321 11.146 1.00 28.47 N ATOM 829 HA GLN A 72 10.889 26.663 13.207 1.00 0.00 H ATOM 830 HB2 GLN A 72 13.472 25.009 13.424 1.00 0.00 H ATOM 831 HB3 GLN A 72 12.400 24.879 12.010 1.00 0.00 H ATOM 832 HG2 GLN A 72 12.638 27.346 11.673 1.00 0.00 H ATOM 833 HG3 GLN A 72 13.823 27.372 13.000 1.00 0.00 H ATOM 834 HE22 GLN A 72 15.513 28.158 11.763 1.00 0.00 H ATOM 835 HE21 GLN A 72 16.292 27.167 10.477 1.00 0.00 H ATOM 836 H GLN A 72 13.043 26.601 15.093 1.00 0.00 H ATOM 837 N HIS A 73 10.165 24.479 15.073 1.00 12.73 N ATOM 838 CA HIS A 73 9.190 23.419 15.284 1.00 12.47 C ATOM 839 C HIS A 73 7.793 24.038 15.204 1.00 12.13 C ATOM 840 O HIS A 73 6.789 23.331 15.157 1.00 13.71 O ATOM 841 CB HIS A 73 9.405 22.729 16.638 1.00 12.47 C ATOM 842 CG HIS A 73 9.363 23.657 17.813 1.00 13.92 C ATOM 843 ND1 HIS A 73 8.188 24.030 18.431 1.00 14.11 N ATOM 844 CD2 HIS A 73 10.356 24.295 18.477 1.00 15.10 C ATOM 845 CE1 HIS A 73 8.460 24.858 19.424 1.00 14.88 C ATOM 846 NE2 HIS A 73 9.768 25.035 19.474 1.00 15.10 N ATOM 847 HA HIS A 73 9.306 22.654 14.517 1.00 0.00 H ATOM 848 HB2 HIS A 73 8.626 21.978 16.767 1.00 0.00 H ATOM 849 HB3 HIS A 73 10.379 22.241 16.622 1.00 0.00 H ATOM 850 HD2 HIS A 73 11.423 24.233 18.261 1.00 0.00 H ATOM 851 HE1 HIS A 73 7.729 25.317 20.089 1.00 0.00 H ATOM 852 H HIS A 73 10.541 25.008 15.885 1.00 0.00 H ATOM 853 N ILE A 74 7.736 25.368 15.166 1.00 12.58 N ATOM 854 CA ILE A 74 6.459 26.072 15.081 1.00 12.24 C ATOM 855 C ILE A 74 6.035 26.246 13.621 1.00 12.40 C ATOM 856 O ILE A 74 6.802 26.737 12.794 1.00 11.97 O ATOM 857 CB ILE A 74 6.541 27.464 15.755 1.00 13.01 C ATOM 858 CG1 ILE A 74 6.876 27.289 17.242 1.00 13.51 C ATOM 859 CG2 ILE A 74 5.216 28.200 15.596 1.00 13.45 C ATOM 860 CD1 ILE A 74 7.190 28.576 17.973 1.00 11.88 C ATOM 861 HA ILE A 74 5.719 25.468 15.606 1.00 0.00 H ATOM 862 HB ILE A 74 7.324 28.053 15.277 1.00 0.00 H ATOM 863 HG12 ILE A 74 6.022 26.820 17.730 1.00 0.00 H ATOM 864 HG13 ILE A 74 7.743 26.633 17.321 1.00 0.00 H ATOM 865 HD11 ILE A 74 8.052 29.055 17.509 1.00 0.00 H ATOM 866 HD12 ILE A 74 6.329 29.242 17.919 1.00 0.00 H ATOM 867 HD13 ILE A 74 7.414 28.354 19.016 1.00 0.00 H ATOM 868 HG21 ILE A 74 4.997 28.327 14.536 1.00 0.00 H ATOM 869 HG22 ILE A 74 4.421 27.620 16.065 1.00 0.00 H ATOM 870 HG23 ILE A 74 5.285 29.177 16.074 1.00 0.00 H ATOM 871 H ILE A 74 8.619 25.917 15.197 1.00 0.00 H ATOM 872 N VAL A 75 4.808 25.844 13.311 1.00 10.42 N ATOM 873 CA VAL A 75 4.301 25.945 11.943 1.00 11.60 C ATOM 874 C VAL A 75 3.064 26.826 11.866 1.00 12.16 C ATOM 875 O VAL A 75 2.118 26.647 12.631 1.00 13.09 O ATOM 876 CB VAL A 75 3.961 24.545 11.380 1.00 11.10 C ATOM 877 CG1 VAL A 75 3.397 24.665 9.957 1.00 10.42 C ATOM 878 CG2 VAL A 75 5.207 23.673 11.392 1.00 10.40 C ATOM 879 HA VAL A 75 5.091 26.399 11.344 1.00 0.00 H ATOM 880 HB VAL A 75 3.201 24.081 12.008 1.00 0.00 H ATOM 881 HG11 VAL A 75 2.491 25.271 9.976 1.00 0.00 H ATOM 882 HG12 VAL A 75 4.138 25.138 9.313 1.00 0.00 H ATOM 883 HG13 VAL A 75 3.163 23.671 9.575 1.00 0.00 H ATOM 884 HG21 VAL A 75 5.978 24.135 10.775 1.00 0.00 H ATOM 885 HG22 VAL A 75 5.570 23.574 12.415 1.00 0.00 H ATOM 886 HG23 VAL A 75 4.963 22.688 10.995 1.00 0.00 H ATOM 887 H VAL A 75 4.197 25.450 14.054 1.00 0.00 H ATOM 888 N TYR A 76 3.083 27.783 10.942 1.00 13.22 N ATOM 889 CA TYR A 76 1.962 28.697 10.753 1.00 14.77 C ATOM 890 C TYR A 76 1.235 28.297 9.476 1.00 16.31 C ATOM 891 O TYR A 76 1.812 28.333 8.393 1.00 16.76 O ATOM 892 CB TYR A 76 2.468 30.140 10.623 1.00 13.66 C ATOM 893 CG TYR A 76 3.357 30.582 11.760 1.00 15.00 C ATOM 894 CD1 TYR A 76 4.749 30.589 11.628 1.00 17.07 C ATOM 895 CD2 TYR A 76 2.810 30.981 12.975 1.00 15.97 C ATOM 896 CE1 TYR A 76 5.571 30.988 12.688 1.00 15.97 C ATOM 897 CE2 TYR A 76 3.617 31.377 14.035 1.00 16.19 C ATOM 898 CZ TYR A 76 4.993 31.380 13.890 1.00 14.87 C ATOM 899 OH TYR A 76 5.782 31.773 14.949 1.00 12.99 O ATOM 900 HA TYR A 76 1.291 28.642 11.610 1.00 0.00 H ATOM 901 HB3 TYR A 76 1.605 30.804 10.584 1.00 0.00 H ATOM 902 HB2 TYR A 76 3.032 30.224 9.694 1.00 0.00 H ATOM 903 HD2 TYR A 76 1.727 30.983 13.098 1.00 0.00 H ATOM 904 HE2 TYR A 76 3.167 31.685 14.979 1.00 0.00 H ATOM 905 HE1 TYR A 76 6.655 30.991 12.572 1.00 0.00 H ATOM 906 HD1 TYR A 76 5.201 30.279 10.686 1.00 0.00 H ATOM 907 HH TYR A 76 6.735 31.720 14.687 1.00 0.00 H ATOM 908 H TYR A 76 3.922 27.882 10.336 1.00 0.00 H ATOM 909 N CYS A 77 -0.029 27.918 9.592 1.00 17.06 N ATOM 910 CA CYS A 77 -0.766 27.502 8.411 1.00 18.27 C ATOM 911 C CYS A 77 -2.100 28.202 8.187 1.00 20.16 C ATOM 912 O CYS A 77 -2.929 27.735 7.407 1.00 20.65 O ATOM 913 CB CYS A 77 -0.959 25.983 8.433 1.00 18.30 C ATOM 914 SG CYS A 77 -1.385 25.281 10.036 1.00 18.68 S ATOM 915 HA CYS A 77 -0.151 27.808 7.565 1.00 0.00 H ATOM 916 HB2 CYS A 77 -0.030 25.521 8.099 1.00 0.00 H ATOM 917 HB3 CYS A 77 -1.758 25.735 7.734 1.00 0.00 H ATOM 918 HG CYS A 77 -2.571 25.832 10.477 1.00 0.00 H ATOM 919 H CYS A 77 -0.491 27.918 10.524 1.00 0.00 H ATOM 920 N SER A 78 -2.305 29.330 8.857 1.00 21.73 N ATOM 921 CA SER A 78 -3.544 30.077 8.681 1.00 24.53 C ATOM 922 C SER A 78 -3.552 30.627 7.256 1.00 25.94 C ATOM 923 O SER A 78 -2.516 31.050 6.741 1.00 25.64 O ATOM 924 CB SER A 78 -3.617 31.227 9.688 1.00 24.60 C ATOM 925 OG SER A 78 -2.529 32.114 9.511 1.00 25.04 O ATOM 926 HA SER A 78 -4.405 29.430 8.847 1.00 0.00 H ATOM 927 HB2 SER A 78 -3.587 30.821 10.699 1.00 0.00 H ATOM 928 HB3 SER A 78 -4.550 31.771 9.544 1.00 0.00 H ATOM 929 HG SER A 78 -1.680 31.623 9.645 1.00 0.00 H ATOM 930 H SER A 78 -1.577 29.682 9.511 1.00 0.00 H ATOM 931 N ASN A 79 -4.714 30.603 6.614 1.00 28.45 N ATOM 932 CA ASN A 79 -4.845 31.103 5.247 1.00 29.69 C ATOM 933 C ASN A 79 -4.056 30.245 4.252 1.00 29.00 C ATOM 934 O ASN A 79 -3.750 30.687 3.146 1.00 28.53 O ATOM 935 CB ASN A 79 -4.362 32.557 5.177 1.00 34.04 C ATOM 936 CG ASN A 79 -4.901 33.300 3.969 1.00 37.56 C ATOM 937 OD1 ASN A 79 -4.719 32.877 2.825 1.00 38.95 O ATOM 938 ND2 ASN A 79 -5.568 34.423 4.219 1.00 40.89 N ATOM 939 HA ASN A 79 -5.898 31.050 4.971 1.00 0.00 H ATOM 940 HB2 ASN A 79 -4.687 33.076 6.079 1.00 0.00 H ATOM 941 HB3 ASN A 79 -3.273 32.560 5.130 1.00 0.00 H ATOM 942 HD22 ASN A 79 -5.698 34.743 5.200 1.00 0.00 H ATOM 943 HD21 ASN A 79 -5.959 34.981 3.434 1.00 0.00 H ATOM 944 H ASN A 79 -5.552 30.219 7.096 1.00 0.00 H ATOM 945 N ASP A 80 -3.720 29.020 4.649 1.00 26.81 N ATOM 946 CA ASP A 80 -2.979 28.114 3.771 1.00 24.81 C ATOM 947 C ASP A 80 -3.714 26.786 3.634 1.00 21.93 C ATOM 948 O ASP A 80 -4.486 26.401 4.510 1.00 22.43 O ATOM 949 CB ASP A 80 -1.575 27.844 4.317 1.00 24.86 C ATOM 950 CG ASP A 80 -0.705 27.082 3.329 1.00 25.58 C ATOM 951 OD1 ASP A 80 0.000 27.734 2.533 1.00 27.13 O ATOM 952 OD2 ASP A 80 -0.737 25.832 3.336 1.00 24.58 O ATOM 953 HA ASP A 80 -2.899 28.596 2.797 1.00 0.00 H ATOM 954 HB2 ASP A 80 -1.097 28.798 4.542 1.00 0.00 H ATOM 955 HB3 ASP A 80 -1.662 27.258 5.232 1.00 0.00 H ATOM 956 H ASP A 80 -3.989 28.701 5.601 1.00 0.00 H ATOM 957 N LEU A 81 -3.470 26.091 2.528 1.00 20.47 N ATOM 958 CA LEU A 81 -4.098 24.800 2.283 1.00 18.67 C ATOM 959 C LEU A 81 -3.897 23.863 3.470 1.00 17.44 C ATOM 960 O LEU A 81 -4.824 23.171 3.891 1.00 17.78 O ATOM 961 CB LEU A 81 -3.513 24.163 1.019 1.00 19.76 C ATOM 962 CG LEU A 81 -3.940 22.720 0.733 1.00 21.20 C ATOM 963 CD1 LEU A 81 -5.451 22.652 0.620 1.00 23.08 C ATOM 964 CD2 LEU A 81 -3.276 22.224 -0.542 1.00 22.65 C ATOM 965 HA LEU A 81 -5.167 24.963 2.146 1.00 0.00 H ATOM 966 HB2 LEU A 81 -3.813 24.774 0.168 1.00 0.00 H ATOM 967 HB3 LEU A 81 -2.427 24.178 1.110 1.00 0.00 H ATOM 968 HG LEU A 81 -3.623 22.075 1.553 1.00 0.00 H ATOM 969 HD21 LEU A 81 -3.574 22.859 -1.376 1.00 0.00 H ATOM 970 HD22 LEU A 81 -2.193 22.262 -0.424 1.00 0.00 H ATOM 971 HD23 LEU A 81 -3.586 21.197 -0.736 1.00 0.00 H ATOM 972 HD11 LEU A 81 -5.899 22.985 1.556 1.00 0.00 H ATOM 973 HD12 LEU A 81 -5.783 23.297 -0.193 1.00 0.00 H ATOM 974 HD13 LEU A 81 -5.753 21.625 0.417 1.00 0.00 H ATOM 975 H LEU A 81 -2.814 26.479 1.820 1.00 0.00 H ATOM 976 N LEU A 82 -2.685 23.843 4.012 1.00 15.58 N ATOM 977 CA LEU A 82 -2.386 22.983 5.150 1.00 14.66 C ATOM 978 C LEU A 82 -3.289 23.319 6.330 1.00 15.52 C ATOM 979 O LEU A 82 -3.646 22.445 7.115 1.00 14.80 O ATOM 980 CB LEU A 82 -0.924 23.136 5.566 1.00 14.32 C ATOM 981 CG LEU A 82 -0.463 22.218 6.697 1.00 13.26 C ATOM 982 CD1 LEU A 82 -0.610 20.759 6.265 1.00 14.84 C ATOM 983 CD2 LEU A 82 0.982 22.533 7.056 1.00 12.69 C ATOM 984 HA LEU A 82 -2.566 21.951 4.849 1.00 0.00 H ATOM 985 HB2 LEU A 82 -0.303 22.932 4.694 1.00 0.00 H ATOM 986 HB3 LEU A 82 -0.772 24.167 5.886 1.00 0.00 H ATOM 987 HG LEU A 82 -1.081 22.382 7.579 1.00 0.00 H ATOM 988 HD21 LEU A 82 1.614 22.377 6.182 1.00 0.00 H ATOM 989 HD22 LEU A 82 1.057 23.571 7.379 1.00 0.00 H ATOM 990 HD23 LEU A 82 1.306 21.876 7.863 1.00 0.00 H ATOM 991 HD11 LEU A 82 -1.655 20.553 6.034 1.00 0.00 H ATOM 992 HD12 LEU A 82 0.001 20.580 5.380 1.00 0.00 H ATOM 993 HD13 LEU A 82 -0.280 20.107 7.074 1.00 0.00 H ATOM 994 H LEU A 82 -1.938 24.450 3.619 1.00 0.00 H ATOM 995 N GLY A 83 -3.658 24.594 6.450 1.00 15.58 N ATOM 996 CA GLY A 83 -4.526 25.010 7.538 1.00 16.43 C ATOM 997 C GLY A 83 -5.928 24.452 7.371 1.00 18.05 C ATOM 998 O GLY A 83 -6.586 24.089 8.345 1.00 16.61 O ATOM 999 HA3 GLY A 83 -4.577 26.099 7.555 1.00 0.00 H ATOM 1000 HA2 GLY A 83 -4.111 24.652 8.480 1.00 0.00 H ATOM 1001 H GLY A 83 -3.322 25.296 5.760 1.00 0.00 H ATOM 1002 N ASP A 84 -6.389 24.386 6.128 1.00 19.88 N ATOM 1003 CA ASP A 84 -7.715 23.856 5.838 1.00 22.41 C ATOM 1004 C ASP A 84 -7.735 22.354 6.103 1.00 22.10 C ATOM 1005 O ASP A 84 -8.729 21.814 6.592 1.00 23.68 O ATOM 1006 CB ASP A 84 -8.088 24.133 4.380 1.00 25.96 C ATOM 1007 CG ASP A 84 -8.343 25.607 4.111 1.00 29.25 C ATOM 1008 OD1 ASP A 84 -8.489 25.980 2.929 1.00 34.07 O ATOM 1009 OD2 ASP A 84 -8.409 26.391 5.079 1.00 31.49 O ATOM 1010 HA ASP A 84 -8.443 24.346 6.484 1.00 0.00 H ATOM 1011 HB2 ASP A 84 -7.271 23.797 3.741 1.00 0.00 H ATOM 1012 HB3 ASP A 84 -8.991 23.572 4.138 1.00 0.00 H ATOM 1013 H ASP A 84 -5.791 24.719 5.345 1.00 0.00 H ATOM 1014 N LEU A 85 -6.627 21.688 5.785 1.00 21.06 N ATOM 1015 CA LEU A 85 -6.499 20.244 5.980 1.00 20.51 C ATOM 1016 C LEU A 85 -6.414 19.847 7.448 1.00 19.17 C ATOM 1017 O LEU A 85 -7.058 18.891 7.882 1.00 18.78 O ATOM 1018 CB LEU A 85 -5.249 19.719 5.266 1.00 22.28 C ATOM 1019 CG LEU A 85 -5.227 19.643 3.738 1.00 24.54 C ATOM 1020 CD1 LEU A 85 -3.808 19.364 3.266 1.00 24.29 C ATOM 1021 CD2 LEU A 85 -6.170 18.549 3.263 1.00 25.93 C ATOM 1022 HA LEU A 85 -7.402 19.802 5.560 1.00 0.00 H ATOM 1023 HB2 LEU A 85 -4.421 20.362 5.563 1.00 0.00 H ATOM 1024 HB3 LEU A 85 -5.074 18.709 5.636 1.00 0.00 H ATOM 1025 HG LEU A 85 -5.559 20.593 3.319 1.00 0.00 H ATOM 1026 HD21 LEU A 85 -5.852 17.592 3.677 1.00 0.00 H ATOM 1027 HD22 LEU A 85 -7.183 18.773 3.599 1.00 0.00 H ATOM 1028 HD23 LEU A 85 -6.149 18.501 2.174 1.00 0.00 H ATOM 1029 HD11 LEU A 85 -3.151 20.167 3.601 1.00 0.00 H ATOM 1030 HD12 LEU A 85 -3.467 18.416 3.683 1.00 0.00 H ATOM 1031 HD13 LEU A 85 -3.793 19.310 2.177 1.00 0.00 H ATOM 1032 H LEU A 85 -5.824 22.213 5.384 1.00 0.00 H ATOM 1033 N PHE A 86 -5.605 20.577 8.206 1.00 17.15 N ATOM 1034 CA PHE A 86 -5.412 20.285 9.622 1.00 16.53 C ATOM 1035 C PHE A 86 -6.455 20.903 10.549 1.00 18.33 C ATOM 1036 O PHE A 86 -6.656 20.421 11.664 1.00 18.75 O ATOM 1037 CB PHE A 86 -4.009 20.724 10.049 1.00 15.54 C ATOM 1038 CG PHE A 86 -2.922 19.753 9.667 1.00 14.97 C ATOM 1039 CD1 PHE A 86 -3.187 18.680 8.818 1.00 15.81 C ATOM 1040 CD2 PHE A 86 -1.635 19.906 10.171 1.00 14.66 C ATOM 1041 CE1 PHE A 86 -2.183 17.769 8.479 1.00 15.98 C ATOM 1042 CE2 PHE A 86 -0.624 19.006 9.842 1.00 15.67 C ATOM 1043 CZ PHE A 86 -0.897 17.933 8.995 1.00 16.53 C ATOM 1044 HA PHE A 86 -5.534 19.207 9.724 1.00 0.00 H ATOM 1045 HB2 PHE A 86 -3.792 21.684 9.580 1.00 0.00 H ATOM 1046 HB3 PHE A 86 -4.000 20.840 11.133 1.00 0.00 H ATOM 1047 HD2 PHE A 86 -1.414 20.743 10.834 1.00 0.00 H ATOM 1048 HE2 PHE A 86 0.379 19.141 10.246 1.00 0.00 H ATOM 1049 HZ PHE A 86 -0.109 17.225 8.737 1.00 0.00 H ATOM 1050 HE1 PHE A 86 -2.404 16.934 7.814 1.00 0.00 H ATOM 1051 HD1 PHE A 86 -4.191 18.550 8.413 1.00 0.00 H ATOM 1052 H PHE A 86 -5.096 21.377 7.780 1.00 0.00 H ATOM 1053 N GLY A 87 -7.112 21.967 10.094 1.00 18.57 N ATOM 1054 CA GLY A 87 -8.133 22.604 10.909 1.00 19.63 C ATOM 1055 C GLY A 87 -7.619 23.485 12.035 1.00 20.01 C ATOM 1056 O GLY A 87 -8.348 23.762 12.988 1.00 21.17 O ATOM 1057 HA3 GLY A 87 -8.748 21.820 11.350 1.00 0.00 H ATOM 1058 HA2 GLY A 87 -8.748 23.221 10.254 1.00 0.00 H ATOM 1059 H GLY A 87 -6.894 22.345 9.150 1.00 0.00 H ATOM 1060 N VAL A 88 -6.368 23.924 11.934 1.00 18.28 N ATOM 1061 CA VAL A 88 -5.766 24.784 12.954 1.00 17.35 C ATOM 1062 C VAL A 88 -4.992 25.906 12.271 1.00 16.60 C ATOM 1063 O VAL A 88 -4.578 25.764 11.124 1.00 16.28 O ATOM 1064 CB VAL A 88 -4.784 23.997 13.850 1.00 17.44 C ATOM 1065 CG1 VAL A 88 -5.513 22.863 14.555 1.00 20.05 C ATOM 1066 CG2 VAL A 88 -3.632 23.452 13.011 1.00 17.10 C ATOM 1067 HA VAL A 88 -6.570 25.180 13.574 1.00 0.00 H ATOM 1068 HB VAL A 88 -4.376 24.669 14.605 1.00 0.00 H ATOM 1069 HG11 VAL A 88 -6.311 23.275 15.173 1.00 0.00 H ATOM 1070 HG12 VAL A 88 -5.939 22.189 13.812 1.00 0.00 H ATOM 1071 HG13 VAL A 88 -4.810 22.316 15.183 1.00 0.00 H ATOM 1072 HG21 VAL A 88 -4.027 22.788 12.242 1.00 0.00 H ATOM 1073 HG22 VAL A 88 -3.103 24.281 12.541 1.00 0.00 H ATOM 1074 HG23 VAL A 88 -2.946 22.899 13.653 1.00 0.00 H ATOM 1075 H VAL A 88 -5.801 23.648 11.107 1.00 0.00 H ATOM 1076 N PRO A 89 -4.803 27.045 12.961 1.00 15.50 N ATOM 1077 CA PRO A 89 -4.062 28.160 12.366 1.00 15.83 C ATOM 1078 C PRO A 89 -2.558 28.022 12.591 1.00 14.07 C ATOM 1079 O PRO A 89 -1.763 28.690 11.936 1.00 13.71 O ATOM 1080 CB PRO A 89 -4.644 29.374 13.082 1.00 16.43 C ATOM 1081 CG PRO A 89 -4.869 28.840 14.457 1.00 17.72 C ATOM 1082 CD PRO A 89 -5.498 27.481 14.187 1.00 17.44 C ATOM 1083 HA PRO A 89 -4.165 28.219 11.282 1.00 0.00 H ATOM 1084 HD3 PRO A 89 -5.315 26.791 15.011 1.00 0.00 H ATOM 1085 HD2 PRO A 89 -6.572 27.570 14.021 1.00 0.00 H ATOM 1086 HG3 PRO A 89 -5.545 29.481 15.023 1.00 0.00 H ATOM 1087 HG2 PRO A 89 -3.929 28.738 14.999 1.00 0.00 H ATOM 1088 HB2 PRO A 89 -3.940 30.206 13.089 1.00 0.00 H ATOM 1089 HB3 PRO A 89 -5.579 29.695 12.623 1.00 0.00 H ATOM 1090 N SER A 90 -2.177 27.154 13.526 1.00 13.65 N ATOM 1091 CA SER A 90 -0.768 26.933 13.833 1.00 13.89 C ATOM 1092 C SER A 90 -0.611 25.686 14.690 1.00 13.54 C ATOM 1093 O SER A 90 -1.579 25.194 15.267 1.00 13.80 O ATOM 1094 CB SER A 90 -0.190 28.131 14.594 1.00 14.76 C ATOM 1095 OG SER A 90 -0.596 28.106 15.955 1.00 16.38 O ATOM 1096 HA SER A 90 -0.231 26.807 12.893 1.00 0.00 H ATOM 1097 HB2 SER A 90 -0.543 29.053 14.132 1.00 0.00 H ATOM 1098 HB3 SER A 90 0.898 28.095 14.544 1.00 0.00 H ATOM 1099 HG SER A 90 -0.212 28.887 16.427 1.00 0.00 H ATOM 1100 H SER A 90 -2.901 26.621 14.050 1.00 0.00 H ATOM 1101 N PHE A 91 0.612 25.173 14.769 1.00 12.81 N ATOM 1102 CA PHE A 91 0.879 23.993 15.581 1.00 11.96 C ATOM 1103 C PHE A 91 2.379 23.795 15.722 1.00 12.81 C ATOM 1104 O PHE A 91 3.166 24.397 14.994 1.00 13.01 O ATOM 1105 CB PHE A 91 0.230 22.747 14.952 1.00 12.91 C ATOM 1106 CG PHE A 91 0.867 22.301 13.657 1.00 11.71 C ATOM 1107 CD1 PHE A 91 1.974 21.456 13.662 1.00 11.51 C ATOM 1108 CD2 PHE A 91 0.355 22.720 12.433 1.00 12.98 C ATOM 1109 CE1 PHE A 91 2.563 21.028 12.460 1.00 10.80 C ATOM 1110 CE2 PHE A 91 0.936 22.298 11.226 1.00 12.24 C ATOM 1111 CZ PHE A 91 2.040 21.451 11.243 1.00 10.44 C ATOM 1112 HA PHE A 91 0.446 24.140 16.570 1.00 0.00 H ATOM 1113 HB2 PHE A 91 0.300 21.927 15.667 1.00 0.00 H ATOM 1114 HB3 PHE A 91 -0.819 22.969 14.758 1.00 0.00 H ATOM 1115 HD2 PHE A 91 -0.509 23.385 12.411 1.00 0.00 H ATOM 1116 HE2 PHE A 91 0.522 22.634 10.275 1.00 0.00 H ATOM 1117 HZ PHE A 91 2.492 21.121 10.308 1.00 0.00 H ATOM 1118 HE1 PHE A 91 3.428 20.366 12.482 1.00 0.00 H ATOM 1119 HD1 PHE A 91 2.390 21.122 14.612 1.00 0.00 H ATOM 1120 H PHE A 91 1.390 25.620 14.244 1.00 0.00 H ATOM 1121 N SER A 92 2.773 22.963 16.676 1.00 11.76 N ATOM 1122 CA SER A 92 4.181 22.683 16.892 1.00 12.20 C ATOM 1123 C SER A 92 4.474 21.235 16.540 1.00 12.75 C ATOM 1124 O SER A 92 3.672 20.344 16.824 1.00 12.62 O ATOM 1125 CB SER A 92 4.555 22.927 18.352 1.00 11.46 C ATOM 1126 OG SER A 92 5.885 22.503 18.592 1.00 13.46 O ATOM 1127 HA SER A 92 4.768 23.346 16.257 1.00 0.00 H ATOM 1128 HB2 SER A 92 3.876 22.368 18.996 1.00 0.00 H ATOM 1129 HB3 SER A 92 4.470 23.991 18.573 1.00 0.00 H ATOM 1130 HG SER A 92 6.503 23.011 18.009 1.00 0.00 H ATOM 1131 H SER A 92 2.062 22.503 17.280 1.00 0.00 H ATOM 1132 N VAL A 93 5.624 20.998 15.920 1.00 13.08 N ATOM 1133 CA VAL A 93 6.008 19.644 15.554 1.00 14.92 C ATOM 1134 C VAL A 93 6.092 18.799 16.826 1.00 17.38 C ATOM 1135 O VAL A 93 6.020 17.570 16.778 1.00 17.30 O ATOM 1136 CB VAL A 93 7.365 19.644 14.808 1.00 15.62 C ATOM 1137 CG1 VAL A 93 7.831 18.219 14.549 1.00 14.25 C ATOM 1138 CG2 VAL A 93 7.217 20.393 13.492 1.00 14.08 C ATOM 1139 HA VAL A 93 5.262 19.221 14.881 1.00 0.00 H ATOM 1140 HB VAL A 93 8.112 20.141 15.427 1.00 0.00 H ATOM 1141 HG11 VAL A 93 7.949 17.698 15.499 1.00 0.00 H ATOM 1142 HG12 VAL A 93 7.091 17.701 13.939 1.00 0.00 H ATOM 1143 HG13 VAL A 93 8.786 18.240 14.024 1.00 0.00 H ATOM 1144 HG21 VAL A 93 6.463 19.901 12.878 1.00 0.00 H ATOM 1145 HG22 VAL A 93 6.911 21.420 13.692 1.00 0.00 H ATOM 1146 HG23 VAL A 93 8.172 20.393 12.966 1.00 0.00 H ATOM 1147 H VAL A 93 6.258 21.791 15.693 1.00 0.00 H ATOM 1148 N LYS A 94 6.226 19.470 17.968 1.00 16.89 N ATOM 1149 CA LYS A 94 6.298 18.785 19.255 1.00 18.15 C ATOM 1150 C LYS A 94 4.977 18.087 19.595 1.00 18.05 C ATOM 1151 O LYS A 94 4.949 17.173 20.418 1.00 18.29 O ATOM 1152 CB LYS A 94 6.649 19.778 20.369 1.00 20.17 C ATOM 1153 CG LYS A 94 8.077 20.312 20.331 1.00 22.44 C ATOM 1154 CD LYS A 94 8.280 21.365 21.418 1.00 24.97 C ATOM 1155 CE LYS A 94 9.712 21.879 21.458 1.00 25.90 C ATOM 1156 NZ LYS A 94 10.662 20.854 21.964 1.00 27.92 N ATOM 1157 HA LYS A 94 7.079 18.028 19.178 1.00 0.00 H ATOM 1158 HB2 LYS A 94 5.969 20.626 20.293 1.00 0.00 H ATOM 1159 HB3 LYS A 94 6.500 19.279 21.326 1.00 0.00 H ATOM 1160 HG2 LYS A 94 8.773 19.489 20.493 1.00 0.00 H ATOM 1161 HG3 LYS A 94 8.267 20.760 19.356 1.00 0.00 H ATOM 1162 HD2 LYS A 94 7.611 22.203 21.225 1.00 0.00 H ATOM 1163 HD3 LYS A 94 8.038 20.924 22.385 1.00 0.00 H ATOM 1164 HE2 LYS A 94 9.754 22.750 22.111 1.00 0.00 H ATOM 1165 HE3 LYS A 94 10.010 22.167 20.450 1.00 0.00 H ATOM 1166 HZ1 LYS A 94 10.390 20.577 22.929 1.00 0.00 H ATOM 1167 HZ2 LYS A 94 10.634 20.021 21.342 1.00 0.00 H ATOM 1168 HZ3 LYS A 94 11.624 21.249 21.973 1.00 0.00 H ATOM 1169 H LYS A 94 6.281 20.508 17.943 1.00 0.00 H ATOM 1170 N GLU A 95 3.888 18.525 18.966 1.00 15.78 N ATOM 1171 CA GLU A 95 2.562 17.941 19.198 1.00 16.01 C ATOM 1172 C GLU A 95 2.366 16.689 18.335 1.00 15.48 C ATOM 1173 O GLU A 95 1.544 16.670 17.414 1.00 12.70 O ATOM 1174 CB GLU A 95 1.473 18.969 18.865 1.00 15.72 C ATOM 1175 CG GLU A 95 1.530 20.255 19.693 1.00 17.13 C ATOM 1176 CD GLU A 95 0.447 21.252 19.304 1.00 17.18 C ATOM 1177 OE1 GLU A 95 0.694 22.096 18.422 1.00 18.85 O ATOM 1178 OE2 GLU A 95 -0.663 21.187 19.874 1.00 19.67 O ATOM 1179 HA GLU A 95 2.488 17.659 20.248 1.00 0.00 H ATOM 1180 HB2 GLU A 95 1.570 19.238 17.813 1.00 0.00 H ATOM 1181 HB3 GLU A 95 0.503 18.501 19.031 1.00 0.00 H ATOM 1182 HG2 GLU A 95 1.407 19.999 20.745 1.00 0.00 H ATOM 1183 HG3 GLU A 95 2.504 20.722 19.546 1.00 0.00 H ATOM 1184 H GLU A 95 3.980 19.308 18.287 1.00 0.00 H ATOM 1185 N HIS A 96 3.114 15.638 18.653 1.00 15.65 N ATOM 1186 CA HIS A 96 3.062 14.389 17.894 1.00 17.51 C ATOM 1187 C HIS A 96 1.683 13.760 17.685 1.00 15.73 C ATOM 1188 O HIS A 96 1.274 13.532 16.548 1.00 13.97 O ATOM 1189 CB HIS A 96 4.005 13.365 18.531 1.00 18.99 C ATOM 1190 CG HIS A 96 5.455 13.712 18.386 1.00 24.33 C ATOM 1191 ND1 HIS A 96 5.891 14.990 18.107 1.00 26.26 N ATOM 1192 CD2 HIS A 96 6.570 12.951 18.495 1.00 25.37 C ATOM 1193 CE1 HIS A 96 7.211 15.001 18.051 1.00 25.31 C ATOM 1194 NE2 HIS A 96 7.648 13.776 18.282 1.00 27.52 N ATOM 1195 HA HIS A 96 3.376 14.673 16.890 1.00 0.00 H ATOM 1196 HB2 HIS A 96 3.772 13.296 19.593 1.00 0.00 H ATOM 1197 HB3 HIS A 96 3.833 12.398 18.059 1.00 0.00 H ATOM 1198 HD2 HIS A 96 6.606 11.883 18.711 1.00 0.00 H ATOM 1199 HE1 HIS A 96 7.833 15.873 17.849 1.00 0.00 H ATOM 1200 H HIS A 96 3.757 15.706 19.468 1.00 0.00 H ATOM 1201 N ARG A 97 0.963 13.472 18.764 1.00 16.34 N ATOM 1202 CA ARG A 97 -0.349 12.850 18.608 1.00 15.87 C ATOM 1203 C ARG A 97 -1.307 13.712 17.805 1.00 15.04 C ATOM 1204 O ARG A 97 -2.051 13.208 16.970 1.00 15.15 O ATOM 1205 CB ARG A 97 -0.979 12.531 19.969 1.00 17.71 C ATOM 1206 CG ARG A 97 -2.375 11.924 19.858 1.00 17.85 C ATOM 1207 CD ARG A 97 -2.826 11.277 21.160 1.00 20.99 C ATOM 1208 NE ARG A 97 -4.192 10.763 21.067 1.00 21.68 N ATOM 1209 CZ ARG A 97 -4.777 10.010 21.995 1.00 22.81 C ATOM 1210 NH1 ARG A 97 -4.117 9.672 23.095 1.00 23.66 N ATOM 1211 NH2 ARG A 97 -6.026 9.597 21.827 1.00 22.70 N ATOM 1212 HA ARG A 97 -0.180 11.924 18.059 1.00 0.00 H ATOM 1213 HB2 ARG A 97 -0.334 11.825 20.492 1.00 0.00 H ATOM 1214 HB3 ARG A 97 -1.047 13.454 20.544 1.00 0.00 H ATOM 1215 HG2 ARG A 97 -3.081 12.712 19.594 1.00 0.00 H ATOM 1216 HG3 ARG A 97 -2.368 11.167 19.074 1.00 0.00 H ATOM 1217 HD2 ARG A 97 -2.782 12.019 21.957 1.00 0.00 H ATOM 1218 HD3 ARG A 97 -2.154 10.452 21.396 1.00 0.00 H ATOM 1219 HE ARG A 97 -4.743 11.002 20.218 1.00 0.00 H ATOM 1220 HH12 ARG A 97 -4.578 9.083 23.818 1.00 0.00 H ATOM 1221 HH11 ARG A 97 -3.139 9.996 23.235 1.00 0.00 H ATOM 1222 HH22 ARG A 97 -6.481 9.009 22.554 1.00 0.00 H ATOM 1223 HH21 ARG A 97 -6.550 9.862 20.969 1.00 0.00 H ATOM 1224 H ARG A 97 1.331 13.688 19.712 1.00 0.00 H ATOM 1225 N LYS A 98 -1.291 15.014 18.060 1.00 14.24 N ATOM 1226 CA LYS A 98 -2.179 15.919 17.351 1.00 14.29 C ATOM 1227 C LYS A 98 -1.875 15.880 15.855 1.00 12.86 C ATOM 1228 O LYS A 98 -2.784 15.857 15.023 1.00 12.80 O ATOM 1229 CB LYS A 98 -2.003 17.339 17.884 1.00 17.00 C ATOM 1230 CG LYS A 98 -3.029 18.330 17.382 1.00 18.38 C ATOM 1231 CD LYS A 98 -2.786 19.686 18.025 1.00 25.73 C ATOM 1232 CE LYS A 98 -3.901 20.668 17.728 1.00 27.24 C ATOM 1233 NZ LYS A 98 -3.664 21.963 18.432 1.00 29.22 N ATOM 1234 HA LYS A 98 -3.211 15.605 17.510 1.00 0.00 H ATOM 1235 HB2 LYS A 98 -2.066 17.305 18.972 1.00 0.00 H ATOM 1236 HB3 LYS A 98 -1.015 17.693 17.590 1.00 0.00 H ATOM 1237 HG2 LYS A 98 -2.946 18.422 16.299 1.00 0.00 H ATOM 1238 HG3 LYS A 98 -4.028 17.980 17.640 1.00 0.00 H ATOM 1239 HD2 LYS A 98 -2.712 19.555 19.105 1.00 0.00 H ATOM 1240 HD3 LYS A 98 -1.849 20.093 17.644 1.00 0.00 H ATOM 1241 HE2 LYS A 98 -4.849 20.246 18.063 1.00 0.00 H ATOM 1242 HE3 LYS A 98 -3.944 20.847 16.654 1.00 0.00 H ATOM 1243 HZ1 LYS A 98 -3.626 21.797 19.458 1.00 0.00 H ATOM 1244 HZ2 LYS A 98 -2.762 22.370 18.112 1.00 0.00 H ATOM 1245 HZ3 LYS A 98 -4.439 22.621 18.215 1.00 0.00 H ATOM 1246 H LYS A 98 -0.636 15.390 18.775 1.00 0.00 H ATOM 1247 N ILE A 99 -0.592 15.874 15.515 1.00 11.82 N ATOM 1248 CA ILE A 99 -0.205 15.837 14.113 1.00 11.98 C ATOM 1249 C ILE A 99 -0.678 14.543 13.456 1.00 10.69 C ATOM 1250 O ILE A 99 -1.275 14.573 12.380 1.00 11.00 O ATOM 1251 CB ILE A 99 1.324 16.002 13.957 1.00 11.39 C ATOM 1252 CG1 ILE A 99 1.717 17.432 14.340 1.00 11.44 C ATOM 1253 CG2 ILE A 99 1.750 15.713 12.525 1.00 10.14 C ATOM 1254 CD1 ILE A 99 3.207 17.685 14.342 1.00 13.12 C ATOM 1255 HA ILE A 99 -0.688 16.673 13.608 1.00 0.00 H ATOM 1256 HB ILE A 99 1.828 15.293 14.614 1.00 0.00 H ATOM 1257 HG12 ILE A 99 1.255 18.116 13.628 1.00 0.00 H ATOM 1258 HG13 ILE A 99 1.334 17.636 15.340 1.00 0.00 H ATOM 1259 HD11 ILE A 99 3.687 17.018 15.058 1.00 0.00 H ATOM 1260 HD12 ILE A 99 3.607 17.498 13.345 1.00 0.00 H ATOM 1261 HD13 ILE A 99 3.398 18.721 14.624 1.00 0.00 H ATOM 1262 HG21 ILE A 99 1.476 14.691 12.265 1.00 0.00 H ATOM 1263 HG22 ILE A 99 1.248 16.407 11.851 1.00 0.00 H ATOM 1264 HG23 ILE A 99 2.830 15.835 12.437 1.00 0.00 H ATOM 1265 H ILE A 99 0.140 15.896 16.254 1.00 0.00 H ATOM 1266 N TYR A 100 -0.428 13.404 14.091 1.00 11.96 N ATOM 1267 CA TYR A 100 -0.885 12.148 13.505 1.00 13.04 C ATOM 1268 C TYR A 100 -2.404 12.160 13.376 1.00 11.90 C ATOM 1269 O TYR A 100 -2.956 11.660 12.397 1.00 13.71 O ATOM 1270 CB TYR A 100 -0.436 10.949 14.345 1.00 15.51 C ATOM 1271 CG TYR A 100 0.975 10.503 14.032 1.00 16.82 C ATOM 1272 CD1 TYR A 100 2.049 10.892 14.833 1.00 20.04 C ATOM 1273 CD2 TYR A 100 1.240 9.731 12.903 1.00 19.93 C ATOM 1274 CE1 TYR A 100 3.358 10.523 14.510 1.00 20.61 C ATOM 1275 CE2 TYR A 100 2.539 9.356 12.572 1.00 22.43 C ATOM 1276 CZ TYR A 100 3.591 9.756 13.380 1.00 22.13 C ATOM 1277 OH TYR A 100 4.867 9.376 13.053 1.00 23.33 O ATOM 1278 HA TYR A 100 -0.439 12.050 12.515 1.00 0.00 H ATOM 1279 HB3 TYR A 100 -1.114 10.117 14.154 1.00 0.00 H ATOM 1280 HB2 TYR A 100 -0.488 11.224 15.399 1.00 0.00 H ATOM 1281 HD2 TYR A 100 0.414 9.414 12.266 1.00 0.00 H ATOM 1282 HE2 TYR A 100 2.727 8.752 11.684 1.00 0.00 H ATOM 1283 HE1 TYR A 100 4.189 10.836 15.142 1.00 0.00 H ATOM 1284 HD1 TYR A 100 1.865 11.493 15.724 1.00 0.00 H ATOM 1285 HH TYR A 100 5.500 9.738 13.723 1.00 0.00 H ATOM 1286 H TYR A 100 0.087 13.407 14.995 1.00 0.00 H ATOM 1287 N THR A 101 -3.078 12.745 14.362 1.00 12.17 N ATOM 1288 CA THR A 101 -4.538 12.825 14.345 1.00 12.66 C ATOM 1289 C THR A 101 -5.004 13.706 13.180 1.00 13.46 C ATOM 1290 O THR A 101 -5.929 13.348 12.446 1.00 14.51 O ATOM 1291 CB THR A 101 -5.079 13.407 15.672 1.00 13.15 C ATOM 1292 OG1 THR A 101 -4.608 12.613 16.772 1.00 13.13 O ATOM 1293 CG2 THR A 101 -6.598 13.399 15.677 1.00 14.54 C ATOM 1294 HA THR A 101 -4.927 11.814 14.221 1.00 0.00 H ATOM 1295 HB THR A 101 -4.725 14.433 15.769 1.00 0.00 H ATOM 1296 HG1 THR A 101 -3.618 12.625 16.786 1.00 0.00 H ATOM 1297 HG23 THR A 101 -6.966 13.999 14.845 1.00 0.00 H ATOM 1298 HG21 THR A 101 -6.955 12.374 15.573 1.00 0.00 H ATOM 1299 HG22 THR A 101 -6.959 13.817 16.616 1.00 0.00 H ATOM 1300 H THR A 101 -2.555 13.154 15.163 1.00 0.00 H ATOM 1301 N MET A 102 -4.351 14.850 13.002 1.00 13.51 N ATOM 1302 CA MET A 102 -4.711 15.766 11.921 1.00 14.49 C ATOM 1303 C MET A 102 -4.416 15.139 10.558 1.00 14.93 C ATOM 1304 O MET A 102 -5.128 15.391 9.582 1.00 15.47 O ATOM 1305 CB MET A 102 -3.963 17.100 12.073 1.00 16.53 C ATOM 1306 CG MET A 102 -4.327 17.861 13.348 1.00 16.14 C ATOM 1307 SD MET A 102 -3.675 19.553 13.432 1.00 18.76 S ATOM 1308 CE MET A 102 -1.926 19.234 13.731 1.00 19.65 C ATOM 1309 HA MET A 102 -5.782 15.961 11.982 1.00 0.00 H ATOM 1310 HB2 MET A 102 -2.892 16.896 12.086 1.00 0.00 H ATOM 1311 HB3 MET A 102 -4.201 17.729 11.215 1.00 0.00 H ATOM 1312 HG2 MET A 102 -3.937 17.304 14.200 1.00 0.00 H ATOM 1313 HG3 MET A 102 -5.414 17.912 13.415 1.00 0.00 H ATOM 1314 HE1 MET A 102 -1.813 18.677 14.661 1.00 0.00 H ATOM 1315 HE2 MET A 102 -1.518 18.651 12.905 1.00 0.00 H ATOM 1316 HE3 MET A 102 -1.393 20.182 13.806 1.00 0.00 H ATOM 1317 H MET A 102 -3.570 15.098 13.643 1.00 0.00 H ATOM 1318 N ILE A 103 -3.377 14.313 10.494 1.00 13.38 N ATOM 1319 CA ILE A 103 -3.022 13.648 9.245 1.00 13.57 C ATOM 1320 C ILE A 103 -3.991 12.512 8.918 1.00 14.83 C ATOM 1321 O ILE A 103 -4.482 12.415 7.788 1.00 14.90 O ATOM 1322 CB ILE A 103 -1.584 13.075 9.297 1.00 12.46 C ATOM 1323 CG1 ILE A 103 -0.570 14.224 9.340 1.00 13.00 C ATOM 1324 CG2 ILE A 103 -1.338 12.166 8.096 1.00 12.49 C ATOM 1325 CD1 ILE A 103 0.874 13.771 9.436 1.00 14.09 C ATOM 1326 HA ILE A 103 -3.081 14.407 8.465 1.00 0.00 H ATOM 1327 HB ILE A 103 -1.463 12.478 10.201 1.00 0.00 H ATOM 1328 HG12 ILE A 103 -0.684 14.816 8.432 1.00 0.00 H ATOM 1329 HG13 ILE A 103 -0.793 14.845 10.207 1.00 0.00 H ATOM 1330 HD11 ILE A 103 1.011 13.187 10.346 1.00 0.00 H ATOM 1331 HD12 ILE A 103 1.119 13.158 8.569 1.00 0.00 H ATOM 1332 HD13 ILE A 103 1.526 14.644 9.461 1.00 0.00 H ATOM 1333 HG21 ILE A 103 -2.053 11.343 8.112 1.00 0.00 H ATOM 1334 HG22 ILE A 103 -1.463 12.739 7.177 1.00 0.00 H ATOM 1335 HG23 ILE A 103 -0.324 11.769 8.144 1.00 0.00 H ATOM 1336 H ILE A 103 -2.808 14.138 11.347 1.00 0.00 H ATOM 1337 N TYR A 104 -4.277 11.656 9.898 1.00 14.65 N ATOM 1338 CA TYR A 104 -5.184 10.531 9.661 1.00 15.90 C ATOM 1339 C TYR A 104 -6.580 10.991 9.250 1.00 15.89 C ATOM 1340 O TYR A 104 -7.305 10.268 8.566 1.00 15.44 O ATOM 1341 CB TYR A 104 -5.277 9.623 10.897 1.00 15.98 C ATOM 1342 CG TYR A 104 -4.179 8.576 10.996 1.00 15.44 C ATOM 1343 CD1 TYR A 104 -3.130 8.718 11.901 1.00 16.76 C ATOM 1344 CD2 TYR A 104 -4.200 7.436 10.191 1.00 20.33 C ATOM 1345 CE1 TYR A 104 -2.125 7.749 12.006 1.00 18.41 C ATOM 1346 CE2 TYR A 104 -3.201 6.461 10.289 1.00 19.45 C ATOM 1347 CZ TYR A 104 -2.168 6.628 11.200 1.00 20.74 C ATOM 1348 OH TYR A 104 -1.181 5.672 11.304 1.00 24.65 O ATOM 1349 HA TYR A 104 -4.761 9.962 8.833 1.00 0.00 H ATOM 1350 HB3 TYR A 104 -6.237 9.108 10.870 1.00 0.00 H ATOM 1351 HB2 TYR A 104 -5.229 10.252 11.786 1.00 0.00 H ATOM 1352 HD2 TYR A 104 -5.009 7.303 9.473 1.00 0.00 H ATOM 1353 HE2 TYR A 104 -3.234 5.576 9.654 1.00 0.00 H ATOM 1354 HE1 TYR A 104 -1.312 7.879 12.721 1.00 0.00 H ATOM 1355 HD1 TYR A 104 -3.091 9.600 12.540 1.00 0.00 H ATOM 1356 HH TYR A 104 -0.528 5.947 11.996 1.00 0.00 H ATOM 1357 H TYR A 104 -3.853 11.788 10.838 1.00 0.00 H ATOM 1358 N ARG A 105 -6.950 12.198 9.664 1.00 17.24 N ATOM 1359 CA ARG A 105 -8.253 12.760 9.319 1.00 17.08 C ATOM 1360 C ARG A 105 -8.368 12.881 7.797 1.00 15.91 C ATOM 1361 O ARG A 105 -9.468 12.853 7.236 1.00 15.40 O ATOM 1362 CB ARG A 105 -8.400 14.148 9.947 1.00 21.82 C ATOM 1363 CG ARG A 105 -9.672 14.892 9.564 1.00 26.17 C ATOM 1364 CD ARG A 105 -10.864 14.458 10.408 1.00 29.26 C ATOM 1365 NE ARG A 105 -12.103 15.079 9.942 1.00 31.84 N ATOM 1366 CZ ARG A 105 -12.743 14.723 8.833 1.00 33.84 C ATOM 1367 NH1 ARG A 105 -12.265 13.743 8.078 1.00 32.84 N ATOM 1368 NH2 ARG A 105 -13.855 15.352 8.472 1.00 34.56 N ATOM 1369 HA ARG A 105 -9.038 12.105 9.697 1.00 0.00 H ATOM 1370 HB2 ARG A 105 -8.388 14.033 11.031 1.00 0.00 H ATOM 1371 HB3 ARG A 105 -7.547 14.752 9.637 1.00 0.00 H ATOM 1372 HG2 ARG A 105 -9.511 15.961 9.705 1.00 0.00 H ATOM 1373 HG3 ARG A 105 -9.893 14.695 8.515 1.00 0.00 H ATOM 1374 HD2 ARG A 105 -10.690 14.748 11.444 1.00 0.00 H ATOM 1375 HD3 ARG A 105 -10.966 13.374 10.348 1.00 0.00 H ATOM 1376 HE ARG A 105 -12.509 15.847 10.514 1.00 0.00 H ATOM 1377 HH12 ARG A 105 -12.765 13.464 7.210 1.00 0.00 H ATOM 1378 HH11 ARG A 105 -11.390 13.254 8.354 1.00 0.00 H ATOM 1379 HH22 ARG A 105 -14.353 15.071 7.603 1.00 0.00 H ATOM 1380 HH21 ARG A 105 -14.228 16.126 9.058 1.00 0.00 H ATOM 1381 H ARG A 105 -6.295 12.756 10.248 1.00 0.00 H ATOM 1382 N ASN A 106 -7.222 13.013 7.137 1.00 14.26 N ATOM 1383 CA ASN A 106 -7.183 13.166 5.685 1.00 14.26 C ATOM 1384 C ASN A 106 -6.718 11.923 4.934 1.00 14.10 C ATOM 1385 O ASN A 106 -6.290 12.011 3.781 1.00 14.11 O ATOM 1386 CB ASN A 106 -6.277 14.342 5.317 1.00 14.67 C ATOM 1387 CG ASN A 106 -6.769 15.653 5.888 1.00 16.28 C ATOM 1388 OD1 ASN A 106 -6.459 16.010 7.031 1.00 16.05 O ATOM 1389 ND2 ASN A 106 -7.552 16.374 5.101 1.00 11.98 N ATOM 1390 HA ASN A 106 -8.213 13.345 5.376 1.00 0.00 H ATOM 1391 HB2 ASN A 106 -5.276 14.146 5.702 1.00 0.00 H ATOM 1392 HB3 ASN A 106 -6.237 14.426 4.231 1.00 0.00 H ATOM 1393 HD22 ASN A 106 -7.786 16.033 4.147 1.00 0.00 H ATOM 1394 HD21 ASN A 106 -7.933 17.281 5.437 1.00 0.00 H ATOM 1395 H ASN A 106 -6.328 13.007 7.669 1.00 0.00 H ATOM 1396 N LEU A 107 -6.826 10.767 5.577 1.00 14.83 N ATOM 1397 CA LEU A 107 -6.393 9.511 4.972 1.00 14.58 C ATOM 1398 C LEU A 107 -7.353 8.370 5.264 1.00 15.00 C ATOM 1399 O LEU A 107 -8.186 8.456 6.166 1.00 13.27 O ATOM 1400 CB LEU A 107 -5.036 9.088 5.543 1.00 18.13 C ATOM 1401 CG LEU A 107 -3.751 9.894 5.380 1.00 18.16 C ATOM 1402 CD1 LEU A 107 -2.684 9.296 6.283 1.00 17.19 C ATOM 1403 CD2 LEU A 107 -3.303 9.873 3.931 1.00 18.01 C ATOM 1404 HA LEU A 107 -6.346 9.694 3.898 1.00 0.00 H ATOM 1405 HB2 LEU A 107 -5.187 8.986 6.618 1.00 0.00 H ATOM 1406 HB3 LEU A 107 -4.827 8.109 5.113 1.00 0.00 H ATOM 1407 HG LEU A 107 -3.923 10.933 5.663 1.00 0.00 H ATOM 1408 HD21 LEU A 107 -3.122 8.843 3.623 1.00 0.00 H ATOM 1409 HD22 LEU A 107 -4.081 10.309 3.305 1.00 0.00 H ATOM 1410 HD23 LEU A 107 -2.385 10.452 3.827 1.00 0.00 H ATOM 1411 HD11 LEU A 107 -3.020 9.339 7.319 1.00 0.00 H ATOM 1412 HD12 LEU A 107 -2.510 8.258 5.999 1.00 0.00 H ATOM 1413 HD13 LEU A 107 -1.760 9.863 6.176 1.00 0.00 H ATOM 1414 H LEU A 107 -7.229 10.756 6.536 1.00 0.00 H ATOM 1415 N VAL A 108 -7.228 7.303 4.481 1.00 14.12 N ATOM 1416 CA VAL A 108 -7.992 6.088 4.720 1.00 14.50 C ATOM 1417 C VAL A 108 -6.902 5.024 4.760 1.00 14.67 C ATOM 1418 O VAL A 108 -5.950 5.071 3.970 1.00 13.23 O ATOM 1419 CB VAL A 108 -9.007 5.748 3.593 1.00 15.96 C ATOM 1420 CG1 VAL A 108 -10.028 6.864 3.462 1.00 18.79 C ATOM 1421 CG2 VAL A 108 -8.290 5.509 2.288 1.00 18.54 C ATOM 1422 HA VAL A 108 -8.603 6.173 5.618 1.00 0.00 H ATOM 1423 HB VAL A 108 -9.533 4.830 3.855 1.00 0.00 H ATOM 1424 HG11 VAL A 108 -10.562 6.978 4.405 1.00 0.00 H ATOM 1425 HG12 VAL A 108 -9.517 7.795 3.217 1.00 0.00 H ATOM 1426 HG13 VAL A 108 -10.735 6.617 2.670 1.00 0.00 H ATOM 1427 HG21 VAL A 108 -7.738 6.406 2.008 1.00 0.00 H ATOM 1428 HG22 VAL A 108 -7.597 4.676 2.403 1.00 0.00 H ATOM 1429 HG23 VAL A 108 -9.019 5.273 1.513 1.00 0.00 H ATOM 1430 H VAL A 108 -6.568 7.338 3.678 1.00 0.00 H ATOM 1431 N VAL A 109 -7.014 4.098 5.703 1.00 13.85 N ATOM 1432 CA VAL A 109 -6.042 3.022 5.839 1.00 15.27 C ATOM 1433 C VAL A 109 -6.519 1.871 4.956 1.00 17.20 C ATOM 1434 O VAL A 109 -7.643 1.402 5.102 1.00 15.52 O ATOM 1435 CB VAL A 109 -5.948 2.545 7.306 1.00 15.71 C ATOM 1436 CG1 VAL A 109 -4.988 1.376 7.419 1.00 16.93 C ATOM 1437 CG2 VAL A 109 -5.483 3.693 8.193 1.00 17.02 C ATOM 1438 HA VAL A 109 -5.053 3.370 5.540 1.00 0.00 H ATOM 1439 HB VAL A 109 -6.934 2.217 7.635 1.00 0.00 H ATOM 1440 HG11 VAL A 109 -5.344 0.554 6.799 1.00 0.00 H ATOM 1441 HG12 VAL A 109 -3.999 1.686 7.081 1.00 0.00 H ATOM 1442 HG13 VAL A 109 -4.933 1.052 8.458 1.00 0.00 H ATOM 1443 HG21 VAL A 109 -4.502 4.033 7.860 1.00 0.00 H ATOM 1444 HG22 VAL A 109 -6.196 4.515 8.125 1.00 0.00 H ATOM 1445 HG23 VAL A 109 -5.419 3.350 9.226 1.00 0.00 H ATOM 1446 H VAL A 109 -7.817 4.141 6.363 1.00 0.00 H ATOM 1447 N VAL A 110 -5.665 1.429 4.039 1.00 21.05 N ATOM 1448 CA VAL A 110 -6.015 0.348 3.122 1.00 24.49 C ATOM 1449 C VAL A 110 -6.292 -0.966 3.851 1.00 27.79 C ATOM 1450 O VAL A 110 -5.644 -1.286 4.844 1.00 27.64 O ATOM 1451 CB VAL A 110 -4.895 0.116 2.080 1.00 25.05 C ATOM 1452 CG1 VAL A 110 -4.634 1.392 1.304 1.00 24.19 C ATOM 1453 CG2 VAL A 110 -3.631 -0.342 2.767 1.00 26.82 C ATOM 1454 HA VAL A 110 -6.929 0.663 2.618 1.00 0.00 H ATOM 1455 HB VAL A 110 -5.217 -0.660 1.385 1.00 0.00 H ATOM 1456 HG11 VAL A 110 -5.546 1.696 0.789 1.00 0.00 H ATOM 1457 HG12 VAL A 110 -4.325 2.178 1.993 1.00 0.00 H ATOM 1458 HG13 VAL A 110 -3.844 1.217 0.574 1.00 0.00 H ATOM 1459 HG21 VAL A 110 -3.308 0.420 3.476 1.00 0.00 H ATOM 1460 HG22 VAL A 110 -3.825 -1.274 3.297 1.00 0.00 H ATOM 1461 HG23 VAL A 110 -2.851 -0.501 2.022 1.00 0.00 H ATOM 1462 H VAL A 110 -4.723 1.864 3.973 1.00 0.00 H ATOM 1463 N ASN A 111 -7.263 -1.721 3.348 1.00 31.03 N ATOM 1464 CA ASN A 111 -7.632 -3.001 3.946 1.00 36.14 C ATOM 1465 C ASN A 111 -6.486 -4.004 3.834 1.00 38.31 C ATOM 1466 O ASN A 111 -6.319 -4.869 4.693 1.00 38.79 O ATOM 1467 CB ASN A 111 -8.877 -3.561 3.255 1.00 37.43 C ATOM 1468 CG ASN A 111 -10.003 -3.847 4.228 1.00 41.05 C ATOM 1469 OD1 ASN A 111 -10.512 -2.941 4.892 1.00 42.13 O ATOM 1470 ND2 ASN A 111 -10.400 -5.113 4.318 1.00 40.37 N ATOM 1471 HA ASN A 111 -7.846 -2.836 5.002 1.00 0.00 H ATOM 1472 HB2 ASN A 111 -9.226 -2.835 2.520 1.00 0.00 H ATOM 1473 HB3 ASN A 111 -8.609 -4.488 2.749 1.00 0.00 H ATOM 1474 HD22 ASN A 111 -9.941 -5.844 3.738 1.00 0.00 H ATOM 1475 HD21 ASN A 111 -11.169 -5.372 4.968 1.00 0.00 H ATOM 1476 H ASN A 111 -7.774 -1.391 2.505 1.00 0.00 H ATOM 1477 N GLN A 112 -5.700 -3.872 2.769 1.00 41.22 N ATOM 1478 CA GLN A 112 -4.558 -4.747 2.510 1.00 44.27 C ATOM 1479 C GLN A 112 -3.697 -4.966 3.753 1.00 45.10 C ATOM 1480 O GLN A 112 -3.840 -4.188 4.717 1.00 46.39 O ATOM 1481 CB GLN A 112 -3.704 -4.143 1.391 1.00 46.46 C ATOM 1482 CG GLN A 112 -2.416 -4.888 1.087 1.00 48.91 C ATOM 1483 CD GLN A 112 -1.588 -4.202 0.014 1.00 49.76 C ATOM 1484 OE1 GLN A 112 -0.476 -4.632 -0.298 1.00 50.18 O ATOM 1485 NE2 GLN A 112 -2.128 -3.128 -0.556 1.00 49.74 N ATOM 1486 HA GLN A 112 -4.947 -5.720 2.212 1.00 0.00 H ATOM 1487 HB2 GLN A 112 -4.305 -4.122 0.482 1.00 0.00 H ATOM 1488 HB3 GLN A 112 -3.445 -3.124 1.677 1.00 0.00 H ATOM 1489 HG2 GLN A 112 -1.824 -4.950 2.000 1.00 0.00 H ATOM 1490 HG3 GLN A 112 -2.665 -5.894 0.748 1.00 0.00 H ATOM 1491 HE22 GLN A 112 -3.070 -2.801 -0.261 1.00 0.00 H ATOM 1492 HE21 GLN A 112 -1.608 -2.616 -1.297 1.00 0.00 H ATOM 1493 H GLN A 112 -5.907 -3.112 2.090 1.00 0.00 H TER 1494 GLN A 112 HETATM 1495 O HOH 1 -0.020 16.218 20.554 1.00 13.32 O HETATM 1496 O HOH 2 -5.564 8.338 -2.797 1.00 15.82 O HETATM 1497 O HOH 3 -9.249 4.466 7.462 1.00 14.44 O HETATM 1498 O HOH 4 10.329 16.194 4.738 1.00 15.52 O HETATM 1499 O HOH 5 -8.342 11.969 12.854 1.00 14.58 O HETATM 1500 O HOH 6 -7.672 15.494 2.440 1.00 14.46 O HETATM 1501 O HOH 7 8.818 13.011 -7.551 1.00 20.39 O HETATM 1502 O HOH 8 11.301 19.979 -1.483 1.00 25.46 O HETATM 1503 O HOH 9 -10.255 15.944 0.803 1.00 16.02 O HETATM 1504 O HOH 10 -6.793 15.630 -5.440 1.00 26.28 O HETATM 1505 O HOH 11 -1.296 -1.147 6.130 1.00 22.17 O HETATM 1506 O HOH 12 -1.320 19.225 -6.819 1.00 21.39 O HETATM 1507 O HOH 13 12.095 22.860 -1.081 1.00 27.18 O HETATM 1508 O HOH 14 -6.022 11.638 18.974 1.00 30.23 O HETATM 1509 O HOH 15 -0.518 31.275 11.358 1.00 21.59 O HETATM 1510 O HOH 16 8.529 7.824 -1.909 1.00 21.83 O HETATM 1511 O HOH 17 13.295 22.059 21.793 1.00 25.80 O HETATM 1512 O HOH 18 -7.729 11.257 -3.496 1.00 18.36 O HETATM 1513 O HOH 19 9.464 10.340 6.375 1.00 19.46 O HETATM 1514 O HOH 20 14.735 26.343 15.443 1.00 21.86 O HETATM 1515 O HOH 21 4.810 18.711 -8.173 1.00 28.35 O HETATM 1516 O HOH 22 7.864 32.102 9.577 1.00 36.14 O HETATM 1517 O HOH 23 4.490 2.951 -1.055 1.00 35.73 O HETATM 1518 O HOH 24 6.684 22.479 -5.230 1.00 24.36 O HETATM 1519 O HOH 25 8.763 21.700 -3.665 1.00 25.48 O HETATM 1520 O HOH 26 -2.343 27.319 0.058 1.00 23.75 O HETATM 1521 O HOH 27 11.652 14.345 6.265 1.00 14.78 O HETATM 1522 O HOH 28 -6.996 9.042 -4.987 1.00 14.92 O HETATM 1523 O HOH 29 9.608 12.795 6.970 1.00 19.39 O HETATM 1524 O HOH 30 13.447 24.665 21.963 1.00 25.03 O HETATM 1525 O HOH 31 -8.635 12.394 -5.648 1.00 22.31 O HETATM 1526 O HOH 32 5.110 7.232 11.640 1.00 28.72 O HETATM 1527 O HOH 33 11.890 32.907 19.801 1.00 24.97 O HETATM 1528 O HOH 34 -3.568 0.527 -6.238 1.00 41.33 O HETATM 1529 O HOH 35 9.538 33.380 11.238 1.00 33.70 O HETATM 1530 O HOH 36 9.162 19.075 -3.590 1.00 29.69 O HETATM 1531 O HOH 37 12.871 26.079 3.672 1.00 33.18 O HETATM 1532 O HOH 38 -2.284 3.582 -8.981 1.00 36.64 O HETATM 1533 O HOH 39 -9.854 17.592 6.141 1.00 43.19 O HETATM 1534 O HOH 40 13.225 23.623 1.085 1.00 24.03 O HETATM 1535 O HOH 41 -0.399 -5.152 4.527 1.00 30.93 O HETATM 1536 O HOH 42 -7.141 11.554 -7.974 1.00 23.85 O HETATM 1537 O HOH 43 1.928 14.091 21.506 1.00 26.57 O HETATM 1538 O HOH 44 -12.310 16.421 4.863 1.00 34.25 O HETATM 1539 O HOH 45 9.675 19.128 -6.052 1.00 33.99 O HETATM 1540 O HOH 46 -1.576 -3.695 6.271 1.00 36.56 O HETATM 1541 O HOH 47 -10.121 14.100 13.974 1.00 40.63 O HETATM 1542 O HOH 48 -1.396 18.901 21.426 1.00 32.70 O HETATM 1543 O HOH 49 -4.532 15.282 -6.762 1.00 30.28 O HETATM 1544 O HOH 50 -0.984 5.065 -11.412 1.00 41.21 O HETATM 1545 O HOH 51 9.843 32.053 17.939 1.00 24.51 O HETATM 1546 O HOH 52 -3.767 -2.779 6.970 1.00 35.39 O HETATM 1547 O HOH 53 15.279 24.652 1.994 1.00 35.94 O HETATM 1548 O HOH 54 13.587 25.274 -0.597 1.00 54.71 O HETATM 1549 O HOH 55 -16.411 17.650 9.122 1.00 41.85 O HETATM 1550 O HOH 56 -2.079 2.451 -5.867 1.00 43.40 O HETATM 1551 O HOH 57 -0.042 4.157 -6.080 1.00 45.44 O HETATM 1552 O HOH 58 0.813 30.381 3.363 1.00 39.39 O HETATM 1553 O HOH 59 -7.890 23.994 -3.005 1.00 43.77 O HETATM 1554 O HOH 60 10.351 29.614 7.120 1.00 31.94 O HETATM 1555 O HOH 61 5.532 3.902 7.447 1.00 30.64 O HETATM 1556 O HOH 62 3.023 5.569 12.643 1.00 35.42 O HETATM 1557 O HOH 63 -3.481 -0.555 5.790 1.00 35.77 O HETATM 1558 O HOH 64 3.083 2.312 -3.501 1.00 53.94 O HETATM 1559 O HOH 65 5.533 31.777 4.116 1.00 27.19 O HETATM 1560 O HOH 66 3.704 30.531 2.010 1.00 44.71 O HETATM 1561 O HOH 67 15.545 24.731 8.282 1.00 37.84 O HETATM 1562 O HOH 68 -7.533 27.049 9.907 1.00 40.14 O HETATM 1563 O HOH 69 -11.144 18.292 3.600 1.00 49.42 O HETATM 1564 O HOH 70 15.551 28.569 7.645 1.00 49.81 O HETATM 1565 O HOH 71 8.922 12.571 9.652 1.00 19.96 O HETATM 1566 O HOH 72 17.201 20.577 10.169 1.00 22.93 O HETATM 1567 O HOH 73 12.874 15.156 8.491 1.00 19.56 O HETATM 1568 O HOH 74 16.297 21.326 15.117 1.00 26.58 O HETATM 1569 O HOH 75 9.912 16.559 16.984 1.00 27.21 O HETATM 1570 O HOH 76 15.772 21.949 8.281 1.00 20.71 O HETATM 1571 O HOH 77 5.887 10.367 17.448 1.00 33.83 O HETATM 1572 O HOH 78 15.829 18.517 16.783 1.00 35.32 O HETATM 1573 O HOH 79 9.040 16.379 21.223 1.00 42.89 O HETATM 1574 O HOH 80 11.639 10.558 9.585 1.00 35.07 O HETATM 1575 O HOH 81 18.712 21.115 14.248 1.00 40.31 O HETATM 1576 O HOH 82 16.964 21.848 21.912 1.00 37.59 O HETATM 1577 O HOH 83 17.282 28.628 20.807 1.00 32.24 O HETATM 1578 O HOH 84 19.033 21.785 11.661 1.00 43.95 O HETATM 1579 O HOH 85 14.871 12.774 7.375 1.00 32.70 O HETATM 1580 O HOH 86 20.011 21.725 21.181 1.00 46.90 O HETATM 1581 O HOH 87 11.292 17.618 19.474 1.00 40.99 O HETATM 1582 O HOH 88 15.909 14.620 8.892 1.00 41.74 O HETATM 1583 O HOH 89 19.154 22.105 17.375 1.00 57.33 O HETATM 1584 O HOH 90 13.843 16.795 18.020 1.00 44.35 O HETATM 1585 O HOH 91 17.908 25.189 15.365 1.00 46.85 O HETATM 1586 O HOH 92 16.992 28.004 18.308 1.00 50.59 O HETATM 1587 O HOH 93 9.174 9.955 9.383 1.00 42.88 O HETATM 1588 C ACE A 94 14.860 22.425 12.034 1.00 0.18 C HETATM 1589 O ACE A 94 14.639 21.469 12.774 1.00 -0.40 O HETATM 1590 CH3 ACE A 94 16.158 23.219 12.155 1.00 0.03 C HETATM 1591 H1 ACE A 94 16.164 24.028 11.409 1.00 0.05 H HETATM 1592 H2 ACE A 94 17.014 22.551 11.978 1.00 0.05 H HETATM 1593 H3 ACE A 94 16.231 23.650 13.164 1.00 0.05 H HETATM 1594 N ACE A 94 14.013 22.821 11.086 1.00 -0.26 N HETATM 1595 CA ACE A 94 12.734 22.156 10.874 1.00 0.14 C HETATM 1596 C ACE A 94 12.849 20.657 10.598 1.00 0.21 C HETATM 1597 O ACE A 94 12.211 19.852 11.271 1.00 -0.39 O HETATM 1598 N ACE A 94 13.649 20.283 9.602 1.00 -0.26 N HETATM 1599 CA ACE A 94 13.815 18.873 9.253 1.00 0.13 C HETATM 1600 C ACE A 94 14.179 18.017 10.462 1.00 0.20 C HETATM 1601 O ACE A 94 13.631 16.927 10.651 1.00 -0.39 O HETATM 1602 N ACE A 94 15.103 18.519 11.277 1.00 -0.27 N HETATM 1603 CA ACE A 94 15.557 17.817 12.478 1.00 0.13 C HETATM 1604 C ACE A 94 14.360 17.504 13.378 1.00 0.23 C HETATM 1605 O2 ACE A 94 14.211 16.379 13.860 1.00 -0.34 O HETATM 1606 N ACE A 94 13.515 18.502 13.614 1.00 -0.26 N HETATM 1607 CA ACE A 94 12.331 18.317 14.445 1.00 0.14 C HETATM 1608 CB ACE A 94 11.615 19.654 14.660 1.00 0.02 C HETATM 1609 CG ACE A 94 12.332 20.621 15.568 1.00 -0.05 C HETATM 1610 CD1 ACE A 94 12.657 21.905 15.132 1.00 -0.07 C HETATM 1611 CE1 ACE A 94 13.270 22.819 15.986 1.00 -0.07 C HETATM 1612 CZ ACE A 94 13.565 22.442 17.288 1.00 -0.03 C HETATM 1613 CE2 ACE A 94 13.256 21.171 17.738 1.00 -0.07 C HETATM 1614 CD2 ACE A 94 12.641 20.270 16.878 1.00 -0.07 C HETATM 1615 H35 ACE A 94 12.398 19.276 17.234 1.00 0.05 H HETATM 1616 H36 ACE A 94 13.492 20.880 18.755 1.00 0.05 H HETATM 1617 CH4 ACE A 94 14.234 23.420 18.222 1.00 0.05 C HETATM 1618 P ACE A 94 16.011 23.505 18.208 1.00 0.07 P HETATM 1619 O1 ACE A 94 16.476 22.129 18.520 1.00 -0.56 O HETATM 1620 O2 ACE A 94 16.353 23.943 16.833 1.00 -0.56 O HETATM 1621 O3 ACE A 94 16.374 24.498 19.246 1.00 -0.56 O HETATM 1622 H37 ACE A 94 13.927 23.158 19.245 1.00 0.06 H HETATM 1623 H38 ACE A 94 13.857 24.422 17.971 1.00 0.06 H HETATM 1624 H34 ACE A 94 13.514 23.816 15.636 1.00 0.05 H HETATM 1625 H33 ACE A 94 12.429 22.196 14.113 1.00 0.05 H HETATM 1626 H31 ACE A 94 10.627 19.446 15.095 1.00 0.05 H HETATM 1627 H32 ACE A 94 11.490 20.136 13.679 1.00 0.05 H HETATM 1628 C ACE A 94 11.352 17.357 13.780 1.00 0.21 C HETATM 1629 O ACE A 94 10.818 16.447 14.410 1.00 -0.39 O HETATM 1630 N ACE A 94 11.114 17.586 12.495 1.00 -0.26 N HETATM 1631 CA ACE A 94 10.176 16.780 11.729 1.00 0.14 C HETATM 1632 CB ACE A 94 10.093 17.331 10.303 1.00 0.00 C HETATM 1633 CG ACE A 94 8.942 16.803 9.530 1.00 -0.04 C HETATM 1634 CD2 ACE A 94 7.569 17.166 9.695 1.00 -0.02 C HETATM 1635 CE3 ACE A 94 6.893 18.057 10.541 1.00 -0.07 C HETATM 1636 CZ3 ACE A 94 5.513 18.167 10.429 1.00 -0.07 C HETATM 1637 CH2 ACE A 94 4.795 17.405 9.486 1.00 0.03 C HETATM 1638 CZ2 ACE A 94 5.432 16.525 8.646 1.00 -0.03 C HETATM 1639 CE2 ACE A 94 6.824 16.416 8.758 1.00 0.06 C HETATM 1640 NE1 ACE A 94 7.710 15.634 8.062 1.00 -0.29 N HETATM 1641 CD1 ACE A 94 8.977 15.870 8.530 1.00 0.02 C HETATM 1642 H45 ACE A 94 9.879 15.386 8.160 1.00 0.08 H HETATM 1643 H44 ACE A 94 7.463 14.976 7.309 1.00 0.22 H HETATM 1644 H46 ACE A 94 4.878 15.937 7.923 1.00 0.05 H HETATM 1645 CLL ACE A 94 3.073 17.577 9.388 1.00 -0.08 CL HETATM 1646 H47 ACE A 94 4.979 18.851 11.079 1.00 0.05 H HETATM 1647 H43 ACE A 94 7.437 18.648 11.268 1.00 0.05 H HETATM 1648 H41 ACE A 94 11.020 17.066 9.773 1.00 0.04 H HETATM 1649 H42 ACE A 94 10.003 18.426 10.358 1.00 0.04 H HETATM 1650 C ACE A 94 10.531 15.296 11.706 1.00 0.21 C HETATM 1651 O ACE A 94 9.648 14.440 11.703 1.00 -0.39 O HETATM 1652 N ACE A 94 11.823 14.994 11.693 1.00 -0.26 N HETATM 1653 CA ACE A 94 12.276 13.610 11.669 1.00 0.13 C HETATM 1654 C ACE A 94 11.809 12.879 12.921 1.00 0.20 C HETATM 1655 O ACE A 94 11.596 11.667 12.901 1.00 -0.39 O HETATM 1656 N1 ACE A 94 11.648 13.625 14.008 1.00 -0.27 N HETATM 1657 C1 ACE A 94 11.218 13.053 15.278 1.00 0.13 C HETATM 1658 C3 ACE A 94 12.283 12.440 16.162 1.00 -0.02 C HETATM 1659 C4 ACE A 94 11.666 13.755 16.541 1.00 -0.02 C HETATM 1660 H56 ACE A 94 12.259 14.679 16.475 1.00 0.03 H HETATM 1661 H57 ACE A 94 10.989 13.815 17.406 1.00 0.03 H HETATM 1662 H54 ACE A 94 12.057 11.538 16.749 1.00 0.03 H HETATM 1663 H55 ACE A 94 13.327 12.402 15.818 1.00 0.03 H HETATM 1664 C2 ACE A 94 9.832 12.425 15.238 1.00 0.23 C HETATM 1665 O1 ACE A 94 9.482 11.637 16.114 1.00 -0.34 O HETATM 1666 N ACE A 94 9.041 12.768 14.227 1.00 -0.27 N HETATM 1667 CA ACE A 94 7.701 12.207 14.118 1.00 0.09 C HETATM 1668 C ACE A 94 7.744 10.725 13.777 1.00 0.06 C HETATM 1669 O ACE A 94 8.678 10.306 13.060 1.00 -0.57 O HETATM 1670 OXT ACE A 94 6.823 10.009 14.220 1.00 -0.57 O HETATM 1671 CB ACE A 94 6.894 12.942 13.049 1.00 -0.02 C HETATM 1672 CG ACE A 94 6.441 14.362 13.391 1.00 -0.04 C HETATM 1673 CD1 ACE A 94 5.763 14.979 12.178 1.00 -0.06 C HETATM 1674 H64 ACE A 94 5.436 16.001 12.421 1.00 0.02 H HETATM 1675 H65 ACE A 94 4.890 14.372 11.897 1.00 0.02 H HETATM 1676 H66 ACE A 94 6.473 15.011 11.338 1.00 0.02 H HETATM 1677 CD2 ACE A 94 5.488 14.326 14.579 1.00 -0.06 C HETATM 1678 H67 ACE A 94 5.997 13.877 15.444 1.00 0.02 H HETATM 1679 H68 ACE A 94 4.604 13.725 14.322 1.00 0.02 H HETATM 1680 H69 ACE A 94 5.175 15.350 14.829 1.00 0.02 H HETATM 1681 H63 ACE A 94 7.320 14.968 13.657 1.00 0.03 H HETATM 1682 H61 ACE A 94 5.994 12.345 12.841 1.00 0.03 H HETATM 1683 H62 ACE A 94 7.514 12.998 12.142 1.00 0.03 H HETATM 1684 H60 ACE A 94 7.196 12.329 15.088 1.00 0.07 H HETATM 1685 H59 ACE A 94 9.367 13.415 13.537 1.00 0.19 H HETATM 1686 H58 ACE A 94 11.827 14.607 13.954 1.00 0.18 H HETATM 1687 CB ACE A 94 13.804 13.557 11.586 1.00 -0.00 C HETATM 1688 CG ACE A 94 14.368 12.154 11.404 1.00 0.00 C HETATM 1689 CD ACE A 94 15.881 12.112 11.530 1.00 0.04 C HETATM 1690 OE1 ACE A 94 16.562 12.905 10.847 1.00 -0.57 O HETATM 1691 OE2 ACE A 94 16.390 11.281 12.311 1.00 -0.57 O HETATM 1692 H52 ACE A 94 14.087 11.788 10.405 1.00 0.04 H HETATM 1693 H53 ACE A 94 13.932 11.497 12.171 1.00 0.04 H HETATM 1694 H50 ACE A 94 14.215 13.977 12.516 1.00 0.03 H HETATM 1695 H51 ACE A 94 14.125 14.172 10.732 1.00 0.03 H HETATM 1696 H49 ACE A 94 11.851 13.112 10.785 1.00 0.08 H HETATM 1697 H48 ACE A 94 12.499 15.731 11.700 1.00 0.19 H HETATM 1698 H40 ACE A 94 9.186 16.878 12.198 1.00 0.08 H HETATM 1699 H39 ACE A 94 11.594 18.335 12.039 1.00 0.19 H HETATM 1700 H30 ACE A 94 12.639 17.907 15.418 1.00 0.08 H HETATM 1701 H29 ACE A 94 13.695 19.400 13.213 1.00 0.19 H HETATM 1702 CB1 ACE A 94 16.549 18.691 13.228 1.00 -0.03 C HETATM 1703 H23 ACE A 94 16.891 18.165 14.131 1.00 0.02 H HETATM 1704 H24 ACE A 94 16.062 19.634 13.516 1.00 0.02 H HETATM 1705 H25 ACE A 94 17.411 18.906 12.580 1.00 0.02 H HETATM 1706 CB2 ACE A 94 16.254 16.522 12.082 1.00 -0.03 C HETATM 1707 H26 ACE A 94 16.594 15.997 12.987 1.00 0.02 H HETATM 1708 H27 ACE A 94 17.120 16.752 11.444 1.00 0.02 H HETATM 1709 H28 ACE A 94 15.551 15.882 11.529 1.00 0.02 H HETATM 1710 H22 ACE A 94 15.502 19.410 11.061 1.00 0.18 H HETATM 1711 CB ACE A 94 14.891 18.717 8.173 1.00 -0.00 C HETATM 1712 CG ACE A 94 14.493 19.259 6.813 1.00 -0.00 C HETATM 1713 SD ACE A 94 13.142 18.330 6.057 1.00 -0.16 S HETATM 1714 CE ACE A 94 14.042 16.958 5.317 1.00 -0.02 C HETATM 1715 H19 ACE A 94 13.334 16.288 4.806 1.00 0.03 H HETATM 1716 H20 ACE A 94 14.572 16.401 6.103 1.00 0.03 H HETATM 1717 H21 ACE A 94 14.769 17.347 4.589 1.00 0.03 H HETATM 1718 H17 ACE A 94 15.367 19.213 6.147 1.00 0.04 H HETATM 1719 H18 ACE A 94 14.177 20.306 6.931 1.00 0.04 H HETATM 1720 H15 ACE A 94 15.117 17.646 8.064 1.00 0.03 H HETATM 1721 H16 ACE A 94 15.793 19.251 8.506 1.00 0.03 H HETATM 1722 H14 ACE A 94 12.859 18.508 8.850 1.00 0.08 H HETATM 1723 H13 ACE A 94 14.145 20.979 9.083 1.00 0.19 H HETATM 1724 CB ACE A 94 11.972 22.815 9.723 1.00 0.02 C HETATM 1725 CG ACE A 94 10.689 22.116 9.378 1.00 -0.04 C HETATM 1726 CD1 ACE A 94 9.574 22.230 10.204 1.00 -0.06 C HETATM 1727 CE1 ACE A 94 8.398 21.534 9.916 1.00 -0.07 C HETATM 1728 CZ ACE A 94 8.335 20.720 8.791 1.00 -0.07 C HETATM 1729 CE2 ACE A 94 9.442 20.602 7.956 1.00 -0.07 C HETATM 1730 CD2 ACE A 94 10.612 21.300 8.255 1.00 -0.06 C HETATM 1731 H9 ACE A 94 11.473 21.205 7.603 1.00 0.06 H HETATM 1732 H11 ACE A 94 9.395 19.970 7.077 1.00 0.06 H HETATM 1733 H12 ACE A 94 7.424 20.177 8.564 1.00 0.06 H HETATM 1734 H10 ACE A 94 7.537 21.628 10.568 1.00 0.06 H HETATM 1735 H8 ACE A 94 9.619 22.866 11.081 1.00 0.06 H HETATM 1736 H6 ACE A 94 12.618 22.816 8.833 1.00 0.05 H HETATM 1737 H7 ACE A 94 11.738 23.851 10.008 1.00 0.05 H HETATM 1738 H5 ACE A 94 12.145 22.280 11.794 1.00 0.08 H HETATM 1739 H4 ACE A 94 14.261 23.595 10.504 1.00 0.19 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 1588 1589 1590 1594 CONECT 1589 1588 CONECT 1590 1588 1591 1592 1593 CONECT 1591 1590 CONECT 1592 1590 CONECT 1593 1590 CONECT 1594 1588 1595 1739 CONECT 1595 1594 1596 1724 1738 CONECT 1596 1595 1597 1598 CONECT 1597 1596 CONECT 1598 1596 1599 1723 CONECT 1599 1598 1600 1711 1722 CONECT 1600 1599 1601 1602 CONECT 1601 1600 CONECT 1602 1600 1603 1710 CONECT 1603 1602 1604 1702 1706 CONECT 1604 1603 1605 1606 CONECT 1605 1604 CONECT 1606 1604 1607 1701 CONECT 1607 1606 1608 1628 1700 CONECT 1608 1607 1609 1626 1627 CONECT 1609 1608 1610 1614 CONECT 1610 1609 1611 1625 CONECT 1611 1610 1612 1624 CONECT 1612 1611 1613 1617 CONECT 1613 1612 1614 1616 CONECT 1614 1609 1613 1615 CONECT 1615 1614 CONECT 1616 1613 CONECT 1617 1612 1618 1622 1623 CONECT 1618 1617 1619 1620 1621 CONECT 1619 1618 CONECT 1620 1618 CONECT 1621 1618 CONECT 1622 1617 CONECT 1623 1617 CONECT 1624 1611 CONECT 1625 1610 CONECT 1626 1608 CONECT 1627 1608 CONECT 1628 1607 1629 1630 CONECT 1629 1628 CONECT 1630 1628 1631 1699 CONECT 1631 1630 1632 1650 1698 CONECT 1632 1631 1633 1648 1649 CONECT 1633 1632 1634 1641 CONECT 1634 1633 1635 1639 CONECT 1635 1634 1636 1647 CONECT 1636 1635 1637 1646 CONECT 1637 1636 1638 1645 CONECT 1638 1637 1639 1644 CONECT 1639 1634 1638 1640 CONECT 1640 1639 1641 1643 CONECT 1641 1633 1640 1642 CONECT 1642 1641 CONECT 1643 1640 CONECT 1644 1638 CONECT 1645 1637 CONECT 1646 1636 CONECT 1647 1635 CONECT 1648 1632 CONECT 1649 1632 CONECT 1650 1631 1651 1652 CONECT 1651 1650 CONECT 1652 1650 1653 1697 CONECT 1653 1652 1654 1687 1696 CONECT 1654 1653 1655 1656 CONECT 1655 1654 CONECT 1656 1654 1657 1686 CONECT 1657 1656 1658 1659 1664 CONECT 1658 1657 1659 1662 1663 CONECT 1659 1657 1658 1660 1661 CONECT 1660 1659 CONECT 1661 1659 CONECT 1662 1658 CONECT 1663 1658 CONECT 1664 1657 1665 1666 CONECT 1665 1664 CONECT 1666 1664 1667 1685 CONECT 1667 1666 1668 1671 1684 CONECT 1668 1667 1669 1670 CONECT 1669 1668 CONECT 1670 1668 CONECT 1671 1667 1672 1682 1683 CONECT 1672 1671 1673 1677 1681 CONECT 1673 1672 1674 1675 1676 CONECT 1674 1673 CONECT 1675 1673 CONECT 1676 1673 CONECT 1677 1672 1678 1679 1680 CONECT 1678 1677 CONECT 1679 1677 CONECT 1680 1677 CONECT 1681 1672 CONECT 1682 1671 CONECT 1683 1671 CONECT 1684 1667 CONECT 1685 1666 CONECT 1686 1656 CONECT 1687 1653 1688 1694 1695 CONECT 1688 1687 1689 1692 1693 CONECT 1689 1688 1690 1691 CONECT 1690 1689 CONECT 1691 1689 CONECT 1692 1688 CONECT 1693 1688 CONECT 1694 1687 CONECT 1695 1687 CONECT 1696 1653 CONECT 1697 1652 CONECT 1698 1631 CONECT 1699 1630 CONECT 1700 1607 CONECT 1701 1606 CONECT 1702 1603 1703 1704 1705 CONECT 1703 1702 CONECT 1704 1702 CONECT 1705 1702 CONECT 1706 1603 1707 1708 1709 CONECT 1707 1706 CONECT 1708 1706 CONECT 1709 1706 CONECT 1710 1602 CONECT 1711 1599 1712 1720 1721 CONECT 1712 1711 1713 1718 1719 CONECT 1713 1712 1714 CONECT 1714 1713 1715 1716 1717 CONECT 1715 1714 CONECT 1716 1714 CONECT 1717 1714 CONECT 1718 1712 CONECT 1719 1712 CONECT 1720 1711 CONECT 1721 1711 CONECT 1722 1599 CONECT 1723 1598 CONECT 1724 1595 1725 1736 1737 CONECT 1725 1724 1726 1730 CONECT 1726 1725 1727 1735 CONECT 1727 1726 1728 1734 CONECT 1728 1727 1729 1733 CONECT 1729 1728 1730 1732 CONECT 1730 1725 1729 1731 CONECT 1731 1730 CONECT 1732 1729 CONECT 1733 1728 CONECT 1734 1727 CONECT 1735 1726 CONECT 1736 1724 CONECT 1737 1724 CONECT 1738 1595 CONECT 1739 1594 MASTER 0 0 0 0 0 0 0 0 1738 1 156 7 END
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Structure:
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Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 2gv2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1rv1
RCSB PDB
PDBbind
85aa, >1RV1_1|Chains... at 98%
1t4e
RCSB PDB
PDBbind
96aa, >1T4E_1|Chains... at 98%
2axi
RCSB PDB
PDBbind
115aa, >2AXI_1|Chain... at 95%
2lzg
RCSB PDB
PDBbind
125aa, >2LZG_1|Chain... at 100%
3jzk
RCSB PDB
PDBbind
96aa, >3JZK_1|Chain... at 98%
3lbk
RCSB PDB
PDBbind
95aa, >3LBK_1|Chain... at 97%
3lbl
RCSB PDB
PDBbind
95aa, >3LBL_1|Chains... at 98%
3lnz
RCSB PDB
PDBbind
85aa, >3LNZ_1|Chains... at 100%
3tu1
RCSB PDB
PDBbind
108aa, >3TU1_1|Chain... at 100%
3vbg
RCSB PDB
PDBbind
85aa, >3VBG_1|Chains... at 98%
3vzv
RCSB PDB
PDBbind
87aa, >3VZV_1|Chains... at 96%
3w69
RCSB PDB
PDBbind
87aa, >3W69_1|Chains... at 96%
4dij
RCSB PDB
PDBbind
96aa, >4DIJ_1|Chains... at 97%
4ere
RCSB PDB
PDBbind
96aa, >4ERE_1|Chains... at 98%
4erf
RCSB PDB
PDBbind
96aa, >4ERF_1|Chains... at 98%
4hbm
RCSB PDB
PDBbind
120aa, >4HBM_1|Chains... at 100%
4hg7
RCSB PDB
PDBbind
97aa, >4HG7_1|Chain... at 93%
4jv7
RCSB PDB
PDBbind
96aa, >4JV7_1|Chain... at 97%
4jv9
RCSB PDB
PDBbind
96aa, >4JV9_1|Chain... at 97%
4jve
RCSB PDB
PDBbind
96aa, >4JVE_1|Chain... at 97%
4jwr
RCSB PDB
PDBbind
95aa, >4JWR_1|Chains... at 100%
4mdn
RCSB PDB
PDBbind
94aa, >4MDN_1|Chain... at 98%
4mdq
RCSB PDB
PDBbind
86aa, >4MDQ_1|Chain... at 100%
4oas
RCSB PDB
PDBbind
96aa, >4OAS_1|Chains... at 98%
4oba
RCSB PDB
PDBbind
96aa, >4OBA_1|Chains... at 98%
4occ
RCSB PDB
PDBbind
96aa, >4OCC_1|Chains... at 98%
4ode
RCSB PDB
PDBbind
105aa, >4ODE_1|Chain... at 100%
4odf
RCSB PDB
PDBbind
105aa, >4ODF_1|Chain... at 100%
4ogn
RCSB PDB
PDBbind
105aa, >4OGN_1|Chain... at 100%
4ogt
RCSB PDB
PDBbind
105aa, >4OGT_1|Chain... at 100%
4ogv
RCSB PDB
PDBbind
95aa, >4OGV_1|Chains... at 100%
4oq3
RCSB PDB
PDBbind
96aa, >4OQ3_1|Chains... at 97%
4qo4
RCSB PDB
PDBbind
96aa, >4QO4_1|Chain... at 98%
4qoc
RCSB PDB
PDBbind
96aa, >4QOC_1|Chains... at 98%
4wt2
RCSB PDB
PDBbind
105aa, >4WT2_1|Chain... at 100%
4zfi
RCSB PDB
PDBbind
97aa, >4ZFI_1|Chains... at 98%
4zgk
RCSB PDB
PDBbind
98aa, >4ZGK_1|Chains... at 98%
4zyc
RCSB PDB
PDBbind
96aa, >4ZYC_1|Chains... at 97%
4zyf
RCSB PDB
PDBbind
96aa, >4ZYF_1|Chain... at 98%
4zyi
RCSB PDB
PDBbind
96aa, >4ZYI_1|Chain... at 98%
5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
5hmi
RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5j7g
RCSB PDB
PDBbind
109aa, >5J7G_1|Chains... at 99%
5lav
RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5laz
RCSB PDB
PDBbind
94aa, >5LAZ_1|Chain... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
5oai
RCSB PDB
PDBbind
97aa, >5OAI_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bmb
RCSB PDB
PDBbind
9-mer
1f90
RCSB PDB
PDBbind
9-mer
1fzk
RCSB PDB
PDBbind
9-mer
1fzo
RCSB PDB
PDBbind
9-mer
1g3f
RCSB PDB
PDBbind
9-mer
1g7p
RCSB PDB
PDBbind
9-mer
1gux
RCSB PDB
PDBbind
9-mer
1gwq
RCSB PDB
PDBbind
9-mer
1h24
RCSB PDB
PDBbind
9-mer
1inq
RCSB PDB
PDBbind
9-mer
1jp5
RCSB PDB
PDBbind
9-mer
1juf
RCSB PDB
PDBbind
9-mer
1kl3
RCSB PDB
PDBbind
9-mer
1kl5
RCSB PDB
PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
9-mer
1mfg
RCSB PDB
PDBbind
9-mer
1mpa
RCSB PDB
PDBbind
9-mer
1nlo
RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2h6q
RCSB PDB
PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
9-mer
3rwc
RCSB PDB
PDBbind
9-mer
3rwe
RCSB PDB
PDBbind
9-mer
3rwf
RCSB PDB
PDBbind
9-mer
3rwg
RCSB PDB
PDBbind
9-mer
3soq
RCSB PDB
PDBbind
9-mer
3sou
RCSB PDB
PDBbind
9-mer
3sov
RCSB PDB
PDBbind
9-mer
3sow
RCSB PDB
PDBbind
9-mer
3t5i
RCSB PDB
PDBbind
9-mer
3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
2gv2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ubiquitin-protein ligase e3 mdm2
Ligand Name
9-mer
EC.Number
E.C.6.3.2.0
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=5nM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
J.Am.Chem.Soc. v128 pp. 11000-1, 2006
Ligand Properties
Formula
C
5
6
H
7
4
ClN
9
O
1
5
PS
Molecular Weight
1211.730
Exact Mass
1210.450
No. of atoms
157
No. of bonds
161
Polar Surface Area
422.77
LOGP Value
5.01 (
Computed with XLOGP3
)
5.44 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 37
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 5
Canonical SMILES
CSCC[C@@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC1(CC1)C(=O)N[C@H](C(=O)O)CC(C)C)CCC(=O)O)Cc1c[nH]c2c1ccc(c2)Cl)Cc1ccc(cc1)CP(O)(O)O)(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C
InChI String
InChI=1S/C56H75ClN9O15PS/c1-31(2)24-45(52(75)76)64-54(78)56(21-22-56)66-51(74)39(18-19-46(68)69)60-49(72)44(27-36-29-58-41-28-37(57)16-17-38(36)41)62-48(71)43(26-34-12-14-35(15-13-34)30-82(79,80)81)63-53(77)55(4,5)65-50(73)40(20-23-83-6)61-47(70)42(59-32(3)67)25-33-10-8-7-9-11-33/h7-17,28-29,31,39-40,42-45,58,79-82H,18-27,30H2,1-6H3,(H,59,67)(H,60,72)(H,61,70)(H,62,71)(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,68,69)(H,75,76)/t39-,40-,42-,43-,44-,45-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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