Browse entries in the PDBbind-CN Database
HEADER 3DAB_COMPLEX COMPND 3DAB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 88 ILE GLN ILE ASN GLN VAL ARG PRO LYS LEU PRO LEU LEU SEQRES 2 A 88 LYS ILE LEU HIS ALA ALA GLY ALA GLN GLY GLU MET PHE SEQRES 3 A 88 THR VAL LYS GLU VAL MET HIS TYR LEU GLY GLN TYR ILE SEQRES 4 A 88 MET VAL LYS GLN LEU TYR ASP GLN GLN GLU GLN HIS MET SEQRES 5 A 88 VAL TYR CYS GLY GLY ASP LEU LEU GLY GLU LEU LEU GLY SEQRES 6 A 88 ARG GLN SER PHE SER VAL LYS ASP PRO SER PRO LEU TYR SEQRES 7 A 88 ASP MET LEU ARG LYS ASN LEU VAL THR LEU HET GLU A 188 202 ATOM 1 N ILE A 500 26.493 -29.857 2.038 1.00 21.80 N ATOM 2 CA ILE A 500 25.066 -29.735 1.625 1.00 21.43 C ATOM 3 C ILE A 500 24.547 -31.055 1.060 1.00 20.56 C ATOM 4 O ILE A 500 25.326 -31.926 0.657 1.00 20.96 O ATOM 5 CB ILE A 500 24.894 -28.602 0.575 1.00 21.68 C ATOM 6 CG1 ILE A 500 23.444 -28.123 0.511 1.00 21.94 C ATOM 7 CG2 ILE A 500 25.398 -29.049 -0.815 1.00 22.60 C ATOM 8 CD1 ILE A 500 23.286 -26.779 -0.198 1.00 21.76 C ATOM 9 HA ILE A 500 24.482 -29.484 2.511 1.00 0.00 H ATOM 10 HB ILE A 500 25.506 -27.758 0.894 1.00 0.00 H ATOM 11 HG12 ILE A 500 22.856 -28.869 -0.024 1.00 0.00 H ATOM 12 HG13 ILE A 500 23.066 -28.025 1.529 1.00 0.00 H ATOM 13 HD11 ILE A 500 23.861 -26.020 0.332 1.00 0.00 H ATOM 14 HD12 ILE A 500 23.651 -26.864 -1.221 1.00 0.00 H ATOM 15 HD13 ILE A 500 22.233 -26.497 -0.209 1.00 0.00 H ATOM 16 HG21 ILE A 500 26.455 -29.308 -0.751 1.00 0.00 H ATOM 17 HG22 ILE A 500 24.829 -29.919 -1.144 1.00 0.00 H ATOM 18 HG23 ILE A 500 25.264 -28.235 -1.528 1.00 0.00 H ATOM 19 HN3 ILE A 500 27.070 -30.118 1.213 1.00 0.00 H ATOM 20 HN2 ILE A 500 26.579 -30.591 2.769 1.00 0.00 H ATOM 21 HN1 ILE A 500 26.822 -28.947 2.418 1.00 0.00 H ATOM 22 N GLN A 23 23.226 -31.208 1.092 1.00 19.28 N ATOM 23 CA GLN A 23 22.533 -32.318 0.465 1.00 18.79 C ATOM 24 C GLN A 23 21.068 -31.931 0.292 1.00 17.03 C ATOM 25 O GLN A 23 20.661 -30.854 0.716 1.00 16.29 O ATOM 26 CB GLN A 23 22.670 -33.612 1.274 1.00 19.40 C ATOM 27 CG GLN A 23 22.348 -33.523 2.767 1.00 19.68 C ATOM 28 CD GLN A 23 22.535 -34.866 3.471 1.00 20.54 C ATOM 29 OE1 GLN A 23 23.417 -35.027 4.328 1.00 24.04 O ATOM 30 NE2 GLN A 23 21.734 -35.841 3.091 1.00 21.22 N ATOM 31 HA GLN A 23 22.985 -32.518 -0.507 1.00 0.00 H ATOM 32 HB2 GLN A 23 21.999 -34.350 0.834 1.00 0.00 H ATOM 33 HB3 GLN A 23 23.700 -33.955 1.177 1.00 0.00 H ATOM 34 HG2 GLN A 23 23.009 -32.788 3.227 1.00 0.00 H ATOM 35 HG3 GLN A 23 21.313 -33.203 2.886 1.00 0.00 H ATOM 36 HE22 GLN A 23 21.007 -35.665 2.369 1.00 0.00 H ATOM 37 HE21 GLN A 23 21.829 -36.787 3.513 1.00 0.00 H ATOM 38 H GLN A 23 22.660 -30.494 1.593 1.00 0.00 H ATOM 39 N ILE A 24 20.287 -32.805 -0.329 1.00 15.23 N ATOM 40 CA ILE A 24 18.887 -32.504 -0.629 1.00 14.81 C ATOM 41 C ILE A 24 18.051 -32.359 0.625 1.00 13.76 C ATOM 42 O ILE A 24 17.315 -31.385 0.784 1.00 12.57 O ATOM 43 CB ILE A 24 18.271 -33.540 -1.580 1.00 14.26 C ATOM 44 CG1 ILE A 24 18.906 -33.402 -2.958 1.00 16.09 C ATOM 45 CG2 ILE A 24 16.745 -33.362 -1.673 1.00 15.71 C ATOM 46 CD1 ILE A 24 18.563 -32.093 -3.677 1.00 15.34 C ATOM 47 HA ILE A 24 18.883 -31.540 -1.137 1.00 0.00 H ATOM 48 HB ILE A 24 18.467 -34.538 -1.189 1.00 0.00 H ATOM 49 HG12 ILE A 24 19.989 -33.456 -2.843 1.00 0.00 H ATOM 50 HG13 ILE A 24 18.565 -34.232 -3.577 1.00 0.00 H ATOM 51 HD11 ILE A 24 17.484 -32.026 -3.813 1.00 0.00 H ATOM 52 HD12 ILE A 24 18.908 -31.250 -3.078 1.00 0.00 H ATOM 53 HD13 ILE A 24 19.054 -32.075 -4.650 1.00 0.00 H ATOM 54 HG21 ILE A 24 16.305 -33.488 -0.684 1.00 0.00 H ATOM 55 HG22 ILE A 24 16.519 -32.364 -2.048 1.00 0.00 H ATOM 56 HG23 ILE A 24 16.334 -34.108 -2.353 1.00 0.00 H ATOM 57 H ILE A 24 20.679 -33.726 -0.609 1.00 0.00 H ATOM 58 N ASN A 25 18.177 -33.306 1.544 1.00 13.32 N ATOM 59 CA ASN A 25 17.487 -33.151 2.810 1.00 13.53 C ATOM 60 C ASN A 25 18.205 -32.122 3.699 1.00 13.09 C ATOM 61 O ASN A 25 19.380 -31.800 3.489 1.00 12.90 O ATOM 62 CB ASN A 25 17.308 -34.502 3.525 1.00 13.59 C ATOM 63 CG ASN A 25 16.265 -35.386 2.856 1.00 12.52 C ATOM 64 OD1 ASN A 25 15.083 -35.052 2.802 1.00 12.98 O ATOM 65 ND2 ASN A 25 16.704 -36.514 2.327 1.00 12.91 N ATOM 66 HA ASN A 25 16.487 -32.769 2.605 1.00 0.00 H ATOM 67 HB2 ASN A 25 18.263 -35.027 3.524 1.00 0.00 H ATOM 68 HB3 ASN A 25 16.999 -34.315 4.553 1.00 0.00 H ATOM 69 HD22 ASN A 25 17.712 -36.762 2.393 1.00 0.00 H ATOM 70 HD21 ASN A 25 16.042 -37.154 1.844 1.00 0.00 H ATOM 71 H ASN A 25 18.761 -34.146 1.360 1.00 0.00 H ATOM 72 N GLN A 26 17.466 -31.594 4.658 1.00 12.24 N ATOM 73 CA GLN A 26 17.944 -30.532 5.535 1.00 12.15 C ATOM 74 C GLN A 26 18.096 -30.969 6.975 1.00 11.64 C ATOM 75 O GLN A 26 19.064 -30.583 7.640 1.00 10.94 O ATOM 76 CB GLN A 26 16.968 -29.364 5.493 1.00 12.23 C ATOM 77 CG GLN A 26 16.958 -28.691 4.151 1.00 13.85 C ATOM 78 CD GLN A 26 15.972 -27.595 4.078 1.00 14.88 C ATOM 79 OE1 GLN A 26 14.755 -27.833 4.042 1.00 16.23 O ATOM 80 NE2 GLN A 26 16.469 -26.359 4.077 1.00 17.59 N ATOM 81 HA GLN A 26 18.930 -30.248 5.168 1.00 0.00 H ATOM 82 HB2 GLN A 26 15.966 -29.734 5.710 1.00 0.00 H ATOM 83 HB3 GLN A 26 17.257 -28.636 6.251 1.00 0.00 H ATOM 84 HG2 GLN A 26 17.950 -28.283 3.956 1.00 0.00 H ATOM 85 HG3 GLN A 26 16.715 -29.432 3.389 1.00 0.00 H ATOM 86 HE22 GLN A 26 17.498 -26.212 4.108 1.00 0.00 H ATOM 87 HE21 GLN A 26 15.828 -25.541 4.045 1.00 0.00 H ATOM 88 H GLN A 26 16.499 -31.952 4.794 1.00 0.00 H ATOM 89 N VAL A 27 17.133 -31.751 7.458 1.00 11.56 N ATOM 90 CA VAL A 27 17.097 -32.113 8.877 1.00 12.52 C ATOM 91 C VAL A 27 16.756 -33.583 9.156 1.00 13.38 C ATOM 92 O VAL A 27 16.142 -34.276 8.335 1.00 13.06 O ATOM 93 CB VAL A 27 16.090 -31.247 9.639 1.00 12.52 C ATOM 94 CG1 VAL A 27 16.462 -29.782 9.591 1.00 14.35 C ATOM 95 CG2 VAL A 27 14.687 -31.453 9.114 1.00 12.49 C ATOM 96 HA VAL A 27 18.116 -31.940 9.222 1.00 0.00 H ATOM 97 HB VAL A 27 16.119 -31.564 10.681 1.00 0.00 H ATOM 98 HG11 VAL A 27 17.445 -29.643 10.042 1.00 0.00 H ATOM 99 HG12 VAL A 27 16.486 -29.448 8.554 1.00 0.00 H ATOM 100 HG13 VAL A 27 15.722 -29.202 10.143 1.00 0.00 H ATOM 101 HG21 VAL A 27 14.652 -31.182 8.059 1.00 0.00 H ATOM 102 HG22 VAL A 27 14.407 -32.500 9.231 1.00 0.00 H ATOM 103 HG23 VAL A 27 13.995 -30.825 9.675 1.00 0.00 H ATOM 104 H VAL A 27 16.396 -32.110 6.819 1.00 0.00 H ATOM 105 N ARG A 28 17.190 -34.045 10.330 1.00 14.03 N ATOM 106 CA ARG A 28 16.804 -35.338 10.868 1.00 15.25 C ATOM 107 C ARG A 28 16.056 -35.061 12.147 1.00 14.54 C ATOM 108 O ARG A 28 16.630 -34.484 13.072 1.00 14.63 O ATOM 109 CB ARG A 28 18.033 -36.197 11.186 1.00 15.32 C ATOM 110 CG ARG A 28 17.686 -37.590 11.696 1.00 16.85 C ATOM 111 CD ARG A 28 18.908 -38.341 12.186 1.00 20.51 C ATOM 112 NE ARG A 28 18.872 -39.750 11.786 1.00 26.31 N ATOM 113 CZ ARG A 28 19.407 -40.242 10.667 1.00 28.45 C ATOM 114 NH1 ARG A 28 20.044 -39.464 9.798 1.00 29.70 N ATOM 115 NH2 ARG A 28 19.309 -41.540 10.418 1.00 28.75 N ATOM 116 HA ARG A 28 16.199 -35.882 10.142 1.00 0.00 H ATOM 117 HB2 ARG A 28 18.627 -36.300 10.278 1.00 0.00 H ATOM 118 HB3 ARG A 28 18.623 -35.687 11.948 1.00 0.00 H ATOM 119 HG2 ARG A 28 16.978 -37.496 12.519 1.00 0.00 H ATOM 120 HG3 ARG A 28 17.227 -38.157 10.886 1.00 0.00 H ATOM 121 HD2 ARG A 28 18.947 -38.283 13.274 1.00 0.00 H ATOM 122 HD3 ARG A 28 19.801 -37.877 11.767 1.00 0.00 H ATOM 123 HE ARG A 28 18.393 -40.418 12.423 1.00 0.00 H ATOM 124 HH12 ARG A 28 20.451 -39.875 8.934 1.00 0.00 H ATOM 125 HH11 ARG A 28 20.135 -38.445 9.982 1.00 0.00 H ATOM 126 HH22 ARG A 28 19.722 -41.935 9.549 1.00 0.00 H ATOM 127 HH21 ARG A 28 18.819 -42.163 11.091 1.00 0.00 H ATOM 128 H ARG A 28 17.836 -33.450 10.887 1.00 0.00 H ATOM 129 N PRO A 29 14.774 -35.455 12.214 1.00 14.37 N ATOM 130 CA PRO A 29 14.024 -35.230 13.444 1.00 14.05 C ATOM 131 C PRO A 29 14.473 -36.183 14.554 1.00 13.53 C ATOM 132 O PRO A 29 14.818 -37.323 14.283 1.00 13.60 O ATOM 133 CB PRO A 29 12.561 -35.513 13.042 1.00 13.85 C ATOM 134 CG PRO A 29 12.556 -35.758 11.596 1.00 15.36 C ATOM 135 CD PRO A 29 13.946 -36.114 11.184 1.00 14.76 C ATOM 136 HA PRO A 29 14.171 -34.225 13.840 1.00 0.00 H ATOM 137 HD3 PRO A 29 14.094 -37.194 11.193 1.00 0.00 H ATOM 138 HD2 PRO A 29 14.173 -35.726 10.191 1.00 0.00 H ATOM 139 HG3 PRO A 29 12.232 -34.860 11.069 1.00 0.00 H ATOM 140 HG2 PRO A 29 11.879 -36.579 11.362 1.00 0.00 H ATOM 141 HB2 PRO A 29 12.189 -36.390 13.572 1.00 0.00 H ATOM 142 HB3 PRO A 29 11.934 -34.654 13.279 1.00 0.00 H ATOM 143 N LYS A 30 14.485 -35.709 15.794 1.00 12.72 N ATOM 144 CA LYS A 30 14.737 -36.592 16.920 1.00 12.56 C ATOM 145 C LYS A 30 13.539 -37.521 17.117 1.00 12.10 C ATOM 146 O LYS A 30 12.428 -37.234 16.674 1.00 10.98 O ATOM 147 CB LYS A 30 15.034 -35.781 18.180 1.00 13.06 C ATOM 148 CG LYS A 30 16.287 -34.907 18.038 1.00 14.58 C ATOM 149 CD LYS A 30 16.604 -34.197 19.327 1.00 16.67 C ATOM 150 CE LYS A 30 17.840 -33.359 19.187 1.00 17.82 C ATOM 151 NZ LYS A 30 18.234 -32.803 20.498 1.00 17.72 N ATOM 152 HA LYS A 30 15.615 -37.204 16.714 1.00 0.00 H ATOM 153 HB2 LYS A 30 14.180 -35.136 18.390 1.00 0.00 H ATOM 154 HB3 LYS A 30 15.181 -36.470 19.012 1.00 0.00 H ATOM 155 HG2 LYS A 30 17.132 -35.538 17.762 1.00 0.00 H ATOM 156 HG3 LYS A 30 16.118 -34.167 17.256 1.00 0.00 H ATOM 157 HD2 LYS A 30 15.766 -33.555 19.596 1.00 0.00 H ATOM 158 HD3 LYS A 30 16.761 -34.936 20.113 1.00 0.00 H ATOM 159 HE2 LYS A 30 17.644 -32.541 18.494 1.00 0.00 H ATOM 160 HE3 LYS A 30 18.651 -33.976 18.799 1.00 0.00 H ATOM 161 HZ1 LYS A 30 17.463 -32.212 20.868 1.00 0.00 H ATOM 162 HZ2 LYS A 30 18.424 -33.582 21.160 1.00 0.00 H ATOM 163 HZ3 LYS A 30 19.091 -32.225 20.385 1.00 0.00 H ATOM 164 H LYS A 30 14.313 -34.697 15.961 1.00 0.00 H ATOM 165 N LEU A 31 13.762 -38.623 17.814 1.00 11.40 N ATOM 166 CA LEU A 31 12.777 -39.707 17.887 1.00 11.39 C ATOM 167 C LEU A 31 11.309 -39.319 18.117 1.00 10.89 C ATOM 168 O LEU A 31 10.464 -39.724 17.337 1.00 11.57 O ATOM 169 CB LEU A 31 13.246 -40.787 18.884 1.00 11.68 C ATOM 170 CG LEU A 31 12.365 -42.016 19.023 1.00 12.56 C ATOM 171 CD1 LEU A 31 12.345 -42.820 17.719 1.00 14.41 C ATOM 172 CD2 LEU A 31 12.877 -42.889 20.182 1.00 11.65 C ATOM 173 HA LEU A 31 12.750 -40.104 16.872 1.00 0.00 H ATOM 174 HB2 LEU A 31 14.234 -41.122 18.568 1.00 0.00 H ATOM 175 HB3 LEU A 31 13.320 -40.320 19.866 1.00 0.00 H ATOM 176 HG LEU A 31 11.346 -41.696 19.238 1.00 0.00 H ATOM 177 HD21 LEU A 31 13.902 -43.198 19.977 1.00 0.00 H ATOM 178 HD22 LEU A 31 12.848 -42.315 21.108 1.00 0.00 H ATOM 179 HD23 LEU A 31 12.243 -43.770 20.279 1.00 0.00 H ATOM 180 HD11 LEU A 31 11.955 -42.196 16.915 1.00 0.00 H ATOM 181 HD12 LEU A 31 13.358 -43.139 17.475 1.00 0.00 H ATOM 182 HD13 LEU A 31 11.707 -43.695 17.843 1.00 0.00 H ATOM 183 H LEU A 31 14.662 -38.724 18.325 1.00 0.00 H ATOM 184 N PRO A 32 10.978 -38.530 19.167 1.00 10.76 N ATOM 185 CA PRO A 32 9.549 -38.281 19.375 1.00 10.90 C ATOM 186 C PRO A 32 8.912 -37.493 18.238 1.00 10.14 C ATOM 187 O PRO A 32 7.752 -37.716 17.904 1.00 10.41 O ATOM 188 CB PRO A 32 9.511 -37.464 20.670 1.00 10.50 C ATOM 189 CG PRO A 32 10.869 -36.933 20.834 1.00 11.05 C ATOM 190 CD PRO A 32 11.813 -37.843 20.173 1.00 11.55 C ATOM 191 HA PRO A 32 8.986 -39.213 19.421 1.00 0.00 H ATOM 192 HD3 PRO A 32 12.621 -37.288 19.697 1.00 0.00 H ATOM 193 HD2 PRO A 32 12.232 -38.555 20.884 1.00 0.00 H ATOM 194 HG3 PRO A 32 11.110 -36.861 21.895 1.00 0.00 H ATOM 195 HG2 PRO A 32 10.934 -35.944 20.380 1.00 0.00 H ATOM 196 HB2 PRO A 32 8.790 -36.651 20.587 1.00 0.00 H ATOM 197 HB3 PRO A 32 9.245 -38.099 21.515 1.00 0.00 H ATOM 198 N LEU A 33 9.681 -36.592 17.633 1.00 10.62 N ATOM 199 CA LEU A 33 9.192 -35.856 16.471 1.00 9.90 C ATOM 200 C LEU A 33 9.091 -36.769 15.246 1.00 9.67 C ATOM 201 O LEU A 33 8.143 -36.657 14.473 1.00 10.16 O ATOM 202 CB LEU A 33 10.069 -34.635 16.178 1.00 9.84 C ATOM 203 CG LEU A 33 9.580 -33.676 15.089 1.00 9.51 C ATOM 204 CD1 LEU A 33 8.124 -33.204 15.292 1.00 11.09 C ATOM 205 CD2 LEU A 33 10.547 -32.490 14.983 1.00 9.80 C ATOM 206 HA LEU A 33 8.190 -35.495 16.704 1.00 0.00 H ATOM 207 HB2 LEU A 33 10.160 -34.065 17.103 1.00 0.00 H ATOM 208 HB3 LEU A 33 11.052 -34.999 15.879 1.00 0.00 H ATOM 209 HG LEU A 33 9.572 -34.226 14.148 1.00 0.00 H ATOM 210 HD21 LEU A 33 10.585 -31.967 15.939 1.00 0.00 H ATOM 211 HD22 LEU A 33 11.542 -32.855 14.727 1.00 0.00 H ATOM 212 HD23 LEU A 33 10.199 -31.807 14.208 1.00 0.00 H ATOM 213 HD11 LEU A 33 7.460 -34.068 15.289 1.00 0.00 H ATOM 214 HD12 LEU A 33 8.042 -32.684 16.246 1.00 0.00 H ATOM 215 HD13 LEU A 33 7.846 -32.528 14.483 1.00 0.00 H ATOM 216 H LEU A 33 10.640 -36.410 17.991 1.00 0.00 H ATOM 217 N LEU A 34 10.041 -37.681 15.074 1.00 9.80 N ATOM 218 CA LEU A 34 9.966 -38.651 13.958 1.00 9.34 C ATOM 219 C LEU A 34 8.672 -39.461 14.046 1.00 9.01 C ATOM 220 O LEU A 34 7.970 -39.665 13.057 1.00 8.99 O ATOM 221 CB LEU A 34 11.195 -39.571 13.973 1.00 9.22 C ATOM 222 CG LEU A 34 11.289 -40.586 12.832 1.00 9.33 C ATOM 223 CD1 LEU A 34 11.421 -39.801 11.500 1.00 9.11 C ATOM 224 CD2 LEU A 34 12.468 -41.528 13.053 1.00 8.43 C ATOM 225 HA LEU A 34 9.960 -38.106 13.014 1.00 0.00 H ATOM 226 HB2 LEU A 34 12.084 -38.941 13.933 1.00 0.00 H ATOM 227 HB3 LEU A 34 11.186 -40.125 14.912 1.00 0.00 H ATOM 228 HG LEU A 34 10.393 -41.206 12.796 1.00 0.00 H ATOM 229 HD21 LEU A 34 13.391 -40.950 13.091 1.00 0.00 H ATOM 230 HD22 LEU A 34 12.333 -42.062 13.994 1.00 0.00 H ATOM 231 HD23 LEU A 34 12.519 -42.243 12.232 1.00 0.00 H ATOM 232 HD11 LEU A 34 10.546 -39.164 11.367 1.00 0.00 H ATOM 233 HD12 LEU A 34 12.319 -39.184 11.531 1.00 0.00 H ATOM 234 HD13 LEU A 34 11.490 -40.505 10.670 1.00 0.00 H ATOM 235 H LEU A 34 10.847 -37.714 15.731 1.00 0.00 H ATOM 236 N LYS A 35 8.344 -39.925 15.253 1.00 9.57 N ATOM 237 CA LYS A 35 7.074 -40.620 15.490 1.00 9.90 C ATOM 238 C LYS A 35 5.846 -39.818 15.066 1.00 9.84 C ATOM 239 O LYS A 35 4.918 -40.351 14.477 1.00 9.37 O ATOM 240 CB LYS A 35 6.946 -41.032 16.978 1.00 9.66 C ATOM 241 CG LYS A 35 7.982 -42.035 17.395 1.00 12.09 C ATOM 242 CD LYS A 35 7.725 -42.544 18.793 1.00 14.08 C ATOM 243 CE LYS A 35 8.732 -43.599 19.154 1.00 14.92 C ATOM 244 NZ LYS A 35 8.533 -44.121 20.545 1.00 16.97 N ATOM 245 HA LYS A 35 7.100 -41.508 14.859 1.00 0.00 H ATOM 246 HB2 LYS A 35 7.054 -40.141 17.597 1.00 0.00 H ATOM 247 HB3 LYS A 35 5.958 -41.465 17.136 1.00 0.00 H ATOM 248 HG2 LYS A 35 7.961 -42.876 16.702 1.00 0.00 H ATOM 249 HG3 LYS A 35 8.965 -41.564 17.364 1.00 0.00 H ATOM 250 HD2 LYS A 35 7.802 -41.716 19.498 1.00 0.00 H ATOM 251 HD3 LYS A 35 6.723 -42.970 18.843 1.00 0.00 H ATOM 252 HE2 LYS A 35 9.731 -43.171 19.079 1.00 0.00 H ATOM 253 HE3 LYS A 35 8.640 -44.427 18.452 1.00 0.00 H ATOM 254 HZ1 LYS A 35 8.627 -43.339 21.224 1.00 0.00 H ATOM 255 HZ2 LYS A 35 7.584 -44.539 20.625 1.00 0.00 H ATOM 256 HZ3 LYS A 35 9.251 -44.846 20.748 1.00 0.00 H ATOM 257 H LYS A 35 9.005 -39.791 16.045 1.00 0.00 H ATOM 258 N ILE A 36 5.819 -38.529 15.387 1.00 10.51 N ATOM 259 CA ILE A 36 4.711 -37.676 15.012 1.00 10.97 C ATOM 260 C ILE A 36 4.612 -37.599 13.486 1.00 10.96 C ATOM 261 O ILE A 36 3.525 -37.759 12.926 1.00 11.79 O ATOM 262 CB ILE A 36 4.869 -36.267 15.665 1.00 10.70 C ATOM 263 CG1 ILE A 36 4.494 -36.360 17.145 1.00 11.68 C ATOM 264 CG2 ILE A 36 3.987 -35.219 14.983 1.00 13.33 C ATOM 265 CD1 ILE A 36 4.924 -35.173 17.967 1.00 14.15 C ATOM 266 HA ILE A 36 3.778 -38.099 15.384 1.00 0.00 H ATOM 267 HB ILE A 36 5.907 -35.954 15.549 1.00 0.00 H ATOM 268 HG12 ILE A 36 3.410 -36.452 17.218 1.00 0.00 H ATOM 269 HG13 ILE A 36 4.962 -37.252 17.561 1.00 0.00 H ATOM 270 HD11 ILE A 36 6.008 -35.072 17.917 1.00 0.00 H ATOM 271 HD12 ILE A 36 4.455 -34.271 17.574 1.00 0.00 H ATOM 272 HD13 ILE A 36 4.619 -35.320 19.003 1.00 0.00 H ATOM 273 HG21 ILE A 36 4.264 -35.141 13.932 1.00 0.00 H ATOM 274 HG22 ILE A 36 2.942 -35.518 15.063 1.00 0.00 H ATOM 275 HG23 ILE A 36 4.129 -34.254 15.470 1.00 0.00 H ATOM 276 H ILE A 36 6.614 -38.123 15.921 1.00 0.00 H ATOM 277 N LEU A 37 5.749 -37.396 12.818 1.00 11.06 N ATOM 278 CA LEU A 37 5.769 -37.233 11.361 1.00 11.06 C ATOM 279 C LEU A 37 5.343 -38.535 10.675 1.00 11.41 C ATOM 280 O LEU A 37 4.575 -38.515 9.713 1.00 11.84 O ATOM 281 CB LEU A 37 7.147 -36.804 10.869 1.00 10.89 C ATOM 282 CG LEU A 37 7.641 -35.449 11.415 1.00 10.44 C ATOM 283 CD1 LEU A 37 9.006 -35.160 10.927 1.00 10.43 C ATOM 284 CD2 LEU A 37 6.675 -34.326 11.027 1.00 12.15 C ATOM 285 HA LEU A 37 5.060 -36.446 11.102 1.00 0.00 H ATOM 286 HB2 LEU A 37 7.865 -37.570 11.163 1.00 0.00 H ATOM 287 HB3 LEU A 37 7.113 -36.739 9.782 1.00 0.00 H ATOM 288 HG LEU A 37 7.673 -35.507 12.503 1.00 0.00 H ATOM 289 HD21 LEU A 37 6.607 -34.266 9.941 1.00 0.00 H ATOM 290 HD22 LEU A 37 5.690 -34.536 11.443 1.00 0.00 H ATOM 291 HD23 LEU A 37 7.043 -33.379 11.422 1.00 0.00 H ATOM 292 HD11 LEU A 37 9.684 -35.945 11.261 1.00 0.00 H ATOM 293 HD12 LEU A 37 9.001 -35.122 9.838 1.00 0.00 H ATOM 294 HD13 LEU A 37 9.336 -34.200 11.323 1.00 0.00 H ATOM 295 H LEU A 37 6.645 -37.352 13.345 1.00 0.00 H ATOM 296 N HIS A 38 5.852 -39.661 11.150 1.00 11.37 N ATOM 297 CA HIS A 38 5.388 -40.957 10.652 1.00 12.16 C ATOM 298 C HIS A 38 3.870 -41.154 10.846 1.00 13.05 C ATOM 299 O HIS A 38 3.175 -41.628 9.934 1.00 13.69 O ATOM 300 CB HIS A 38 6.154 -42.099 11.322 1.00 11.98 C ATOM 301 CG HIS A 38 7.572 -42.229 10.871 1.00 9.94 C ATOM 302 ND1 HIS A 38 8.493 -42.985 11.559 1.00 10.15 N ATOM 303 CD2 HIS A 38 8.222 -41.727 9.795 1.00 11.05 C ATOM 304 CE1 HIS A 38 9.648 -42.944 10.922 1.00 10.27 C ATOM 305 NE2 HIS A 38 9.513 -42.180 9.851 1.00 11.88 N ATOM 306 HA HIS A 38 5.585 -40.970 9.580 1.00 0.00 H ATOM 307 HB2 HIS A 38 6.151 -41.928 12.399 1.00 0.00 H ATOM 308 HB3 HIS A 38 5.638 -43.033 11.102 1.00 0.00 H ATOM 309 HD2 HIS A 38 7.797 -41.082 9.026 1.00 0.00 H ATOM 310 HE1 HIS A 38 10.561 -43.455 11.228 1.00 0.00 H ATOM 311 H HIS A 38 6.588 -39.625 11.884 1.00 0.00 H ATOM 312 N ALA A 39 3.354 -40.782 12.021 1.00 13.56 N ATOM 313 CA ALA A 39 1.914 -40.868 12.296 1.00 14.14 C ATOM 314 C ALA A 39 1.068 -40.066 11.315 1.00 14.75 C ATOM 315 O ALA A 39 -0.072 -40.437 11.040 1.00 14.99 O ATOM 316 CB ALA A 39 1.607 -40.430 13.718 1.00 13.70 C ATOM 317 HA ALA A 39 1.646 -41.917 12.170 1.00 0.00 H ATOM 318 HB1 ALA A 39 2.137 -41.075 14.418 1.00 0.00 H ATOM 319 HB2 ALA A 39 1.930 -39.398 13.857 1.00 0.00 H ATOM 320 HB3 ALA A 39 0.534 -40.503 13.896 1.00 0.00 H ATOM 321 H ALA A 39 3.990 -40.422 12.761 1.00 0.00 H ATOM 322 N ALA A 40 1.628 -38.975 10.790 1.00 15.70 N ATOM 323 CA ALA A 40 0.957 -38.143 9.777 1.00 16.23 C ATOM 324 C ALA A 40 1.156 -38.638 8.348 1.00 17.30 C ATOM 325 O ALA A 40 0.638 -38.026 7.398 1.00 18.43 O ATOM 326 CB ALA A 40 1.435 -36.694 9.902 1.00 16.05 C ATOM 327 HA ALA A 40 -0.112 -38.211 9.976 1.00 0.00 H ATOM 328 HB1 ALA A 40 1.195 -36.318 10.897 1.00 0.00 H ATOM 329 HB2 ALA A 40 2.513 -36.654 9.748 1.00 0.00 H ATOM 330 HB3 ALA A 40 0.936 -36.082 9.151 1.00 0.00 H ATOM 331 H ALA A 40 2.579 -38.700 11.110 1.00 0.00 H ATOM 332 N GLY A 41 1.924 -39.708 8.168 1.00 17.31 N ATOM 333 CA GLY A 41 2.144 -40.290 6.835 1.00 17.77 C ATOM 334 C GLY A 41 3.477 -39.974 6.184 1.00 17.53 C ATOM 335 O GLY A 41 3.684 -40.295 5.002 1.00 18.64 O ATOM 336 HA3 GLY A 41 1.356 -39.924 6.177 1.00 0.00 H ATOM 337 HA2 GLY A 41 2.066 -41.373 6.927 1.00 0.00 H ATOM 338 H GLY A 41 2.382 -40.146 8.993 1.00 0.00 H ATOM 339 N ALA A 42 4.394 -39.346 6.926 1.00 17.02 N ATOM 340 CA ALA A 42 5.730 -39.054 6.386 1.00 16.59 C ATOM 341 C ALA A 42 6.496 -40.362 6.237 1.00 17.02 C ATOM 342 O ALA A 42 6.370 -41.243 7.075 1.00 16.90 O ATOM 343 CB ALA A 42 6.488 -38.109 7.295 1.00 15.76 C ATOM 344 HA ALA A 42 5.624 -38.570 5.415 1.00 0.00 H ATOM 345 HB1 ALA A 42 5.935 -37.174 7.387 1.00 0.00 H ATOM 346 HB2 ALA A 42 6.600 -38.565 8.279 1.00 0.00 H ATOM 347 HB3 ALA A 42 7.472 -37.911 6.871 1.00 0.00 H ATOM 348 H ALA A 42 4.160 -39.060 7.898 1.00 0.00 H ATOM 349 N GLN A 43 7.271 -40.486 5.166 1.00 17.56 N ATOM 350 CA GLN A 43 8.069 -41.686 4.936 1.00 19.29 C ATOM 351 C GLN A 43 9.559 -41.366 4.986 1.00 18.36 C ATOM 352 O GLN A 43 10.005 -40.365 4.441 1.00 17.63 O ATOM 353 CB GLN A 43 7.717 -42.323 3.588 1.00 19.30 C ATOM 354 CG GLN A 43 6.245 -42.795 3.500 1.00 22.45 C ATOM 355 CD GLN A 43 6.017 -43.865 2.451 1.00 23.62 C ATOM 356 OE1 GLN A 43 5.015 -43.840 1.728 1.00 32.00 O ATOM 357 NE2 GLN A 43 6.937 -44.812 2.359 1.00 29.23 N ATOM 358 HA GLN A 43 7.838 -42.396 5.730 1.00 0.00 H ATOM 359 HB2 GLN A 43 7.893 -41.589 2.802 1.00 0.00 H ATOM 360 HB3 GLN A 43 8.367 -43.184 3.432 1.00 0.00 H ATOM 361 HG2 GLN A 43 5.951 -43.194 4.471 1.00 0.00 H ATOM 362 HG3 GLN A 43 5.620 -41.935 3.258 1.00 0.00 H ATOM 363 HE22 GLN A 43 7.765 -44.795 2.988 1.00 0.00 H ATOM 364 HE21 GLN A 43 6.832 -45.573 1.658 1.00 0.00 H ATOM 365 H GLN A 43 7.310 -39.710 4.475 1.00 0.00 H ATOM 366 N GLY A 44 10.312 -42.241 5.640 1.00 18.36 N ATOM 367 CA GLY A 44 11.757 -42.115 5.758 1.00 18.21 C ATOM 368 C GLY A 44 12.120 -41.411 7.034 1.00 18.00 C ATOM 369 O GLY A 44 11.295 -41.250 7.930 1.00 17.86 O ATOM 370 HA3 GLY A 44 12.138 -41.544 4.912 1.00 0.00 H ATOM 371 HA2 GLY A 44 12.206 -43.108 5.756 1.00 0.00 H ATOM 372 H GLY A 44 9.848 -43.056 6.090 1.00 0.00 H ATOM 373 N GLU A 45 13.353 -40.960 7.141 1.00 17.63 N ATOM 374 CA GLU A 45 13.705 -40.288 8.371 1.00 17.85 C ATOM 375 C GLU A 45 14.644 -39.098 8.273 1.00 17.57 C ATOM 376 O GLU A 45 15.122 -38.616 9.285 1.00 16.08 O ATOM 377 CB GLU A 45 14.146 -41.319 9.395 1.00 18.31 C ATOM 378 CG GLU A 45 15.158 -42.289 8.877 1.00 19.69 C ATOM 379 CD GLU A 45 15.614 -43.193 9.968 1.00 18.01 C ATOM 380 OE1 GLU A 45 16.703 -42.950 10.494 1.00 17.63 O ATOM 381 OE2 GLU A 45 14.875 -44.128 10.314 1.00 21.42 O ATOM 382 HA GLU A 45 12.792 -39.793 8.702 1.00 0.00 H ATOM 383 HB2 GLU A 45 14.577 -40.794 10.248 1.00 0.00 H ATOM 384 HB3 GLU A 45 13.269 -41.878 9.720 1.00 0.00 H ATOM 385 HG2 GLU A 45 14.711 -42.884 8.080 1.00 0.00 H ATOM 386 HG3 GLU A 45 16.014 -41.740 8.483 1.00 0.00 H ATOM 387 H GLU A 45 14.044 -41.082 6.373 1.00 0.00 H ATOM 388 N MET A 46 14.834 -38.582 7.059 1.00 17.33 N ATOM 389 CA MET A 46 15.405 -37.257 6.865 1.00 18.75 C ATOM 390 C MET A 46 14.500 -36.491 5.924 1.00 16.22 C ATOM 391 O MET A 46 13.892 -37.072 5.018 1.00 15.97 O ATOM 392 CB MET A 46 16.811 -37.335 6.283 1.00 18.85 C ATOM 393 CG MET A 46 17.833 -37.887 7.249 1.00 20.97 C ATOM 394 SD MET A 46 19.436 -38.149 6.491 1.00 27.10 S ATOM 395 CE MET A 46 19.060 -38.098 4.748 1.00 24.07 C ATOM 396 HA MET A 46 15.480 -36.753 7.829 1.00 0.00 H ATOM 397 HB2 MET A 46 16.785 -37.978 5.403 1.00 0.00 H ATOM 398 HB3 MET A 46 17.120 -36.332 5.990 1.00 0.00 H ATOM 399 HG2 MET A 46 17.470 -38.840 7.634 1.00 0.00 H ATOM 400 HG3 MET A 46 17.948 -37.184 8.074 1.00 0.00 H ATOM 401 HE1 MET A 46 18.346 -38.886 4.508 1.00 0.00 H ATOM 402 HE2 MET A 46 18.629 -37.128 4.499 1.00 0.00 H ATOM 403 HE3 MET A 46 19.975 -38.248 4.176 1.00 0.00 H ATOM 404 H MET A 46 14.566 -39.143 6.225 1.00 0.00 H ATOM 405 N PHE A 47 14.438 -35.182 6.128 1.00 14.29 N ATOM 406 CA PHE A 47 13.429 -34.352 5.485 1.00 13.47 C ATOM 407 C PHE A 47 13.935 -32.951 5.163 1.00 12.74 C ATOM 408 O PHE A 47 14.931 -32.512 5.703 1.00 11.57 O ATOM 409 CB PHE A 47 12.216 -34.232 6.394 1.00 12.71 C ATOM 410 CG PHE A 47 11.584 -35.553 6.741 1.00 12.38 C ATOM 411 CD1 PHE A 47 10.714 -36.169 5.854 1.00 12.90 C ATOM 412 CD2 PHE A 47 11.880 -36.182 7.942 1.00 12.22 C ATOM 413 CE1 PHE A 47 10.151 -37.371 6.149 1.00 12.01 C ATOM 414 CE2 PHE A 47 11.289 -37.390 8.263 1.00 12.83 C ATOM 415 CZ PHE A 47 10.434 -37.987 7.363 1.00 12.58 C ATOM 416 HA PHE A 47 13.171 -34.838 4.544 1.00 0.00 H ATOM 417 HB2 PHE A 47 12.526 -33.746 7.319 1.00 0.00 H ATOM 418 HB3 PHE A 47 11.470 -33.615 5.893 1.00 0.00 H ATOM 419 HD2 PHE A 47 12.583 -35.721 8.636 1.00 0.00 H ATOM 420 HE2 PHE A 47 11.498 -37.866 9.221 1.00 0.00 H ATOM 421 HZ PHE A 47 9.977 -38.947 7.604 1.00 0.00 H ATOM 422 HE1 PHE A 47 9.480 -37.850 5.436 1.00 0.00 H ATOM 423 HD1 PHE A 47 10.478 -35.683 4.907 1.00 0.00 H ATOM 424 H PHE A 47 15.129 -34.736 6.765 1.00 0.00 H ATOM 425 N THR A 48 13.232 -32.277 4.254 1.00 12.62 N ATOM 426 CA THR A 48 13.361 -30.834 4.100 1.00 12.81 C ATOM 427 C THR A 48 12.486 -30.204 5.158 1.00 12.74 C ATOM 428 O THR A 48 11.563 -30.837 5.644 1.00 13.47 O ATOM 429 CB THR A 48 12.905 -30.336 2.697 1.00 11.90 C ATOM 430 OG1 THR A 48 11.485 -30.494 2.556 1.00 12.47 O ATOM 431 CG2 THR A 48 13.634 -31.102 1.594 1.00 13.42 C ATOM 432 HA THR A 48 14.410 -30.557 4.204 1.00 0.00 H ATOM 433 HB THR A 48 13.154 -29.279 2.605 1.00 0.00 H ATOM 434 HG1 THR A 48 11.206 -30.175 1.661 1.00 0.00 H ATOM 435 HG23 THR A 48 14.710 -30.973 1.714 1.00 0.00 H ATOM 436 HG21 THR A 48 13.384 -32.161 1.662 1.00 0.00 H ATOM 437 HG22 THR A 48 13.327 -30.717 0.622 1.00 0.00 H ATOM 438 H THR A 48 12.573 -32.795 3.638 1.00 0.00 H ATOM 439 N VAL A 49 12.763 -28.957 5.522 1.00 13.17 N ATOM 440 CA VAL A 49 11.972 -28.303 6.552 1.00 13.53 C ATOM 441 C VAL A 49 10.521 -28.157 6.080 1.00 13.52 C ATOM 442 O VAL A 49 9.591 -28.302 6.870 1.00 12.70 O ATOM 443 CB VAL A 49 12.585 -26.954 6.990 1.00 13.44 C ATOM 444 CG1 VAL A 49 11.696 -26.285 8.047 1.00 15.56 C ATOM 445 CG2 VAL A 49 13.992 -27.168 7.547 1.00 13.90 C ATOM 446 HA VAL A 49 11.979 -28.933 7.442 1.00 0.00 H ATOM 447 HB VAL A 49 12.648 -26.301 6.119 1.00 0.00 H ATOM 448 HG11 VAL A 49 10.706 -26.108 7.628 1.00 0.00 H ATOM 449 HG12 VAL A 49 11.612 -26.938 8.916 1.00 0.00 H ATOM 450 HG13 VAL A 49 12.141 -25.336 8.346 1.00 0.00 H ATOM 451 HG21 VAL A 49 13.943 -27.834 8.408 1.00 0.00 H ATOM 452 HG22 VAL A 49 14.622 -27.613 6.777 1.00 0.00 H ATOM 453 HG23 VAL A 49 14.411 -26.209 7.851 1.00 0.00 H ATOM 454 H VAL A 49 13.548 -28.447 5.069 1.00 0.00 H ATOM 455 N LYS A 50 10.321 -27.905 4.784 1.00 13.18 N ATOM 456 CA LYS A 50 8.972 -27.875 4.224 1.00 13.40 C ATOM 457 C LYS A 50 8.173 -29.151 4.508 1.00 12.90 C ATOM 458 O LYS A 50 7.005 -29.097 4.840 1.00 13.23 O ATOM 459 CB LYS A 50 9.017 -27.627 2.710 1.00 13.46 C ATOM 460 CG LYS A 50 7.621 -27.590 2.069 1.00 15.01 C ATOM 461 HA LYS A 50 8.459 -27.052 4.721 1.00 0.00 H ATOM 462 HB2 LYS A 50 9.509 -26.672 2.528 1.00 0.00 H ATOM 463 HB3 LYS A 50 9.593 -28.426 2.243 1.00 0.00 H ATOM 464 HG2 LYS A 50 7.121 -28.544 2.235 1.00 0.00 H ATOM 465 HG3 LYS A 50 7.036 -26.788 2.520 1.00 0.00 H ATOM 466 H LYS A 50 11.137 -27.728 4.164 1.00 0.00 H ATOM 467 N GLU A 51 8.817 -30.299 4.357 1.00 13.15 N ATOM 468 CA GLU A 51 8.174 -31.574 4.599 1.00 12.46 C ATOM 469 C GLU A 51 7.809 -31.705 6.079 1.00 12.40 C ATOM 470 O GLU A 51 6.718 -32.140 6.391 1.00 12.37 O ATOM 471 CB GLU A 51 9.080 -32.717 4.185 1.00 12.18 C ATOM 472 CG GLU A 51 9.171 -32.979 2.689 1.00 11.97 C ATOM 473 CD GLU A 51 10.050 -34.163 2.389 1.00 13.29 C ATOM 474 OE1 GLU A 51 11.192 -34.213 2.906 1.00 12.97 O ATOM 475 OE2 GLU A 51 9.618 -35.040 1.624 1.00 13.12 O ATOM 476 HA GLU A 51 7.264 -31.620 4.001 1.00 0.00 H ATOM 477 HB2 GLU A 51 10.084 -32.497 4.548 1.00 0.00 H ATOM 478 HB3 GLU A 51 8.713 -33.625 4.663 1.00 0.00 H ATOM 479 HG2 GLU A 51 8.171 -33.173 2.302 1.00 0.00 H ATOM 480 HG3 GLU A 51 9.584 -32.097 2.199 1.00 0.00 H ATOM 481 H GLU A 51 9.812 -30.284 4.056 1.00 0.00 H ATOM 482 N VAL A 52 8.715 -31.288 6.969 1.00 12.22 N ATOM 483 CA VAL A 52 8.465 -31.316 8.421 1.00 12.39 C ATOM 484 C VAL A 52 7.227 -30.489 8.767 1.00 13.00 C ATOM 485 O VAL A 52 6.328 -30.961 9.461 1.00 12.35 O ATOM 486 CB VAL A 52 9.687 -30.842 9.225 1.00 12.27 C ATOM 487 CG1 VAL A 52 9.348 -30.708 10.730 1.00 12.13 C ATOM 488 CG2 VAL A 52 10.861 -31.800 9.041 1.00 11.42 C ATOM 489 HA VAL A 52 8.281 -32.353 8.703 1.00 0.00 H ATOM 490 HB VAL A 52 9.970 -29.860 8.845 1.00 0.00 H ATOM 491 HG11 VAL A 52 8.544 -29.983 10.857 1.00 0.00 H ATOM 492 HG12 VAL A 52 9.030 -31.676 11.117 1.00 0.00 H ATOM 493 HG13 VAL A 52 10.232 -30.371 11.272 1.00 0.00 H ATOM 494 HG21 VAL A 52 10.575 -32.793 9.387 1.00 0.00 H ATOM 495 HG22 VAL A 52 11.130 -31.845 7.986 1.00 0.00 H ATOM 496 HG23 VAL A 52 11.713 -31.443 9.619 1.00 0.00 H ATOM 497 H VAL A 52 9.629 -30.931 6.624 1.00 0.00 H ATOM 498 N MET A 53 7.167 -29.266 8.247 1.00 13.99 N ATOM 499 CA MET A 53 6.032 -28.372 8.517 1.00 14.18 C ATOM 500 C MET A 53 4.725 -28.944 7.979 1.00 13.86 C ATOM 501 O MET A 53 3.710 -28.892 8.660 1.00 14.60 O ATOM 502 CB MET A 53 6.270 -26.984 7.891 1.00 14.79 C ATOM 503 CG MET A 53 7.454 -26.234 8.435 1.00 17.63 C ATOM 504 SD MET A 53 7.301 -25.930 10.203 1.00 22.22 S ATOM 505 CE MET A 53 6.060 -24.640 10.232 1.00 21.41 C ATOM 506 HA MET A 53 5.952 -28.277 9.600 1.00 0.00 H ATOM 507 HB2 MET A 53 6.418 -27.117 6.819 1.00 0.00 H ATOM 508 HB3 MET A 53 5.379 -26.379 8.061 1.00 0.00 H ATOM 509 HG2 MET A 53 7.534 -25.278 7.918 1.00 0.00 H ATOM 510 HG3 MET A 53 8.356 -26.819 8.254 1.00 0.00 H ATOM 511 HE1 MET A 53 6.422 -23.777 9.674 1.00 0.00 H ATOM 512 HE2 MET A 53 5.142 -25.010 9.775 1.00 0.00 H ATOM 513 HE3 MET A 53 5.863 -24.351 11.264 1.00 0.00 H ATOM 514 H MET A 53 7.941 -28.935 7.636 1.00 0.00 H ATOM 515 N HIS A 54 4.755 -29.481 6.764 1.00 14.05 N ATOM 516 CA HIS A 54 3.574 -30.082 6.141 1.00 14.60 C ATOM 517 C HIS A 54 3.028 -31.242 6.956 1.00 14.39 C ATOM 518 O HIS A 54 1.848 -31.288 7.265 1.00 13.81 O ATOM 519 CB HIS A 54 3.875 -30.575 4.717 1.00 14.47 C ATOM 520 CG HIS A 54 2.796 -31.442 4.137 1.00 16.85 C ATOM 521 ND1 HIS A 54 1.603 -30.935 3.676 1.00 19.41 N ATOM 522 CD2 HIS A 54 2.729 -32.780 3.956 1.00 16.92 C ATOM 523 CE1 HIS A 54 0.844 -31.924 3.239 1.00 20.17 C ATOM 524 NE2 HIS A 54 1.506 -33.055 3.394 1.00 19.57 N ATOM 525 HA HIS A 54 2.822 -29.294 6.100 1.00 0.00 H ATOM 526 HB2 HIS A 54 4.002 -29.706 4.072 1.00 0.00 H ATOM 527 HB3 HIS A 54 4.802 -31.148 4.740 1.00 0.00 H ATOM 528 HD2 HIS A 54 3.502 -33.506 4.209 1.00 0.00 H ATOM 529 HE1 HIS A 54 -0.158 -31.823 2.822 1.00 0.00 H ATOM 530 H HIS A 54 5.651 -29.474 6.236 1.00 0.00 H ATOM 531 N TYR A 55 3.890 -32.193 7.281 1.00 14.78 N ATOM 532 CA TYR A 55 3.448 -33.352 8.051 1.00 14.70 C ATOM 533 C TYR A 55 3.062 -33.029 9.499 1.00 14.85 C ATOM 534 O TYR A 55 2.149 -33.649 10.041 1.00 14.33 O ATOM 535 CB TYR A 55 4.477 -34.477 7.960 1.00 15.27 C ATOM 536 CG TYR A 55 4.495 -35.121 6.596 1.00 16.41 C ATOM 537 CD1 TYR A 55 3.427 -35.888 6.160 1.00 16.45 C ATOM 538 CD2 TYR A 55 5.581 -34.960 5.744 1.00 16.95 C ATOM 539 CE1 TYR A 55 3.428 -36.473 4.892 1.00 17.99 C ATOM 540 CE2 TYR A 55 5.604 -35.548 4.486 1.00 19.08 C ATOM 541 CZ TYR A 55 4.523 -36.293 4.063 1.00 18.80 C ATOM 542 OH TYR A 55 4.571 -36.876 2.821 1.00 20.03 O ATOM 543 HA TYR A 55 2.520 -33.695 7.593 1.00 0.00 H ATOM 544 HB3 TYR A 55 4.235 -35.236 8.704 1.00 0.00 H ATOM 545 HB2 TYR A 55 5.465 -34.067 8.169 1.00 0.00 H ATOM 546 HD2 TYR A 55 6.431 -34.361 6.069 1.00 0.00 H ATOM 547 HE2 TYR A 55 6.471 -35.422 3.837 1.00 0.00 H ATOM 548 HE1 TYR A 55 2.576 -37.065 4.558 1.00 0.00 H ATOM 549 HD1 TYR A 55 2.571 -36.037 6.818 1.00 0.00 H ATOM 550 HH TYR A 55 5.339 -37.500 2.780 1.00 0.00 H ATOM 551 H TYR A 55 4.884 -32.114 6.987 1.00 0.00 H ATOM 552 N LEU A 56 3.698 -32.031 10.115 1.00 15.17 N ATOM 553 CA LEU A 56 3.291 -31.611 11.457 1.00 15.89 C ATOM 554 C LEU A 56 1.866 -31.033 11.396 1.00 15.32 C ATOM 555 O LEU A 56 1.039 -31.303 12.261 1.00 15.35 O ATOM 556 CB LEU A 56 4.257 -30.563 12.049 1.00 16.46 C ATOM 557 CG LEU A 56 4.664 -30.672 13.514 1.00 19.51 C ATOM 558 CD1 LEU A 56 5.128 -29.302 14.021 1.00 20.79 C ATOM 559 CD2 LEU A 56 3.594 -31.257 14.412 1.00 21.03 C ATOM 560 HA LEU A 56 3.316 -32.484 12.109 1.00 0.00 H ATOM 561 HB2 LEU A 56 5.173 -30.605 11.460 1.00 0.00 H ATOM 562 HB3 LEU A 56 3.788 -29.588 11.920 1.00 0.00 H ATOM 563 HG LEU A 56 5.488 -31.384 13.560 1.00 0.00 H ATOM 564 HD21 LEU A 56 2.704 -30.629 14.372 1.00 0.00 H ATOM 565 HD22 LEU A 56 3.346 -32.262 14.072 1.00 0.00 H ATOM 566 HD23 LEU A 56 3.964 -31.299 15.436 1.00 0.00 H ATOM 567 HD11 LEU A 56 5.981 -28.968 13.431 1.00 0.00 H ATOM 568 HD12 LEU A 56 4.313 -28.585 13.923 1.00 0.00 H ATOM 569 HD13 LEU A 56 5.418 -29.383 15.069 1.00 0.00 H ATOM 570 H LEU A 56 4.487 -31.549 9.639 1.00 0.00 H ATOM 571 N GLY A 57 1.589 -30.218 10.383 1.00 15.33 N ATOM 572 CA GLY A 57 0.241 -29.689 10.169 1.00 15.37 C ATOM 573 C GLY A 57 -0.752 -30.823 9.928 1.00 15.48 C ATOM 574 O GLY A 57 -1.862 -30.802 10.451 1.00 14.72 O ATOM 575 HA3 GLY A 57 0.249 -29.029 9.301 1.00 0.00 H ATOM 576 HA2 GLY A 57 -0.066 -29.125 11.050 1.00 0.00 H ATOM 577 H GLY A 57 2.349 -29.949 9.726 1.00 0.00 H ATOM 578 N GLN A 58 -0.351 -31.816 9.128 1.00 15.68 N ATOM 579 CA GLN A 58 -1.230 -32.958 8.841 1.00 16.58 C ATOM 580 C GLN A 58 -1.588 -33.733 10.108 1.00 16.33 C ATOM 581 O GLN A 58 -2.735 -34.095 10.313 1.00 17.17 O ATOM 582 CB GLN A 58 -0.581 -33.914 7.837 1.00 16.96 C ATOM 583 CG GLN A 58 -0.603 -33.446 6.410 1.00 19.86 C ATOM 584 CD GLN A 58 -2.008 -33.334 5.832 1.00 23.01 C ATOM 585 OE1 GLN A 58 -2.397 -32.272 5.365 1.00 26.70 O ATOM 586 NE2 GLN A 58 -2.770 -34.422 5.868 1.00 24.86 N ATOM 587 HA GLN A 58 -2.144 -32.547 8.413 1.00 0.00 H ATOM 588 HB2 GLN A 58 0.459 -34.058 8.130 1.00 0.00 H ATOM 589 HB3 GLN A 58 -1.107 -34.867 7.889 1.00 0.00 H ATOM 590 HG2 GLN A 58 -0.129 -32.466 6.360 1.00 0.00 H ATOM 591 HG3 GLN A 58 -0.036 -34.153 5.805 1.00 0.00 H ATOM 592 HE22 GLN A 58 -2.398 -35.304 6.274 1.00 0.00 H ATOM 593 HE21 GLN A 58 -3.738 -34.391 5.490 1.00 0.00 H ATOM 594 H GLN A 58 0.597 -31.780 8.702 1.00 0.00 H ATOM 595 N TYR A 59 -0.586 -33.996 10.938 1.00 16.04 N ATOM 596 CA TYR A 59 -0.769 -34.626 12.247 1.00 16.07 C ATOM 597 C TYR A 59 -1.831 -33.931 13.100 1.00 16.54 C ATOM 598 O TYR A 59 -2.766 -34.558 13.590 1.00 15.83 O ATOM 599 CB TYR A 59 0.561 -34.601 12.997 1.00 15.98 C ATOM 600 CG TYR A 59 0.524 -35.246 14.358 1.00 14.35 C ATOM 601 CD1 TYR A 59 0.667 -36.623 14.495 1.00 15.15 C ATOM 602 CD2 TYR A 59 0.397 -34.486 15.502 1.00 14.38 C ATOM 603 CE1 TYR A 59 0.652 -37.235 15.740 1.00 14.78 C ATOM 604 CE2 TYR A 59 0.376 -35.091 16.762 1.00 16.27 C ATOM 605 CZ TYR A 59 0.516 -36.464 16.867 1.00 16.17 C ATOM 606 OH TYR A 59 0.505 -37.065 18.099 1.00 15.31 O ATOM 607 HA TYR A 59 -1.110 -35.646 12.072 1.00 0.00 H ATOM 608 HB3 TYR A 59 0.862 -33.561 13.121 1.00 0.00 H ATOM 609 HB2 TYR A 59 1.303 -35.123 12.393 1.00 0.00 H ATOM 610 HD2 TYR A 59 0.312 -33.402 15.423 1.00 0.00 H ATOM 611 HE2 TYR A 59 0.250 -34.484 17.658 1.00 0.00 H ATOM 612 HE1 TYR A 59 0.747 -38.318 15.822 1.00 0.00 H ATOM 613 HD1 TYR A 59 0.794 -37.236 13.603 1.00 0.00 H ATOM 614 HH TYR A 59 -0.357 -36.878 18.548 1.00 0.00 H ATOM 615 H TYR A 59 0.378 -33.742 10.643 1.00 0.00 H ATOM 616 N ILE A 60 -1.672 -32.627 13.263 1.00 17.72 N ATOM 617 CA ILE A 60 -2.624 -31.800 14.010 1.00 18.61 C ATOM 618 C ILE A 60 -4.022 -31.877 13.395 1.00 20.51 C ATOM 619 O ILE A 60 -5.020 -31.992 14.108 1.00 21.13 O ATOM 620 CB ILE A 60 -2.154 -30.317 14.053 1.00 18.47 C ATOM 621 CG1 ILE A 60 -0.898 -30.175 14.921 1.00 17.98 C ATOM 622 CG2 ILE A 60 -3.278 -29.408 14.599 1.00 17.70 C ATOM 623 CD1 ILE A 60 -0.149 -28.869 14.693 1.00 18.70 C ATOM 624 HA ILE A 60 -2.667 -32.189 15.027 1.00 0.00 H ATOM 625 HB ILE A 60 -1.914 -30.007 13.036 1.00 0.00 H ATOM 626 HG12 ILE A 60 -1.194 -30.225 15.969 1.00 0.00 H ATOM 627 HG13 ILE A 60 -0.226 -31.003 14.695 1.00 0.00 H ATOM 628 HD11 ILE A 60 0.164 -28.809 13.651 1.00 0.00 H ATOM 629 HD12 ILE A 60 -0.805 -28.030 14.926 1.00 0.00 H ATOM 630 HD13 ILE A 60 0.728 -28.837 15.340 1.00 0.00 H ATOM 631 HG21 ILE A 60 -4.152 -29.484 13.952 1.00 0.00 H ATOM 632 HG22 ILE A 60 -3.542 -29.725 15.608 1.00 0.00 H ATOM 633 HG23 ILE A 60 -2.930 -28.375 14.621 1.00 0.00 H ATOM 634 H ILE A 60 -0.837 -32.170 12.844 1.00 0.00 H ATOM 635 N MET A 61 -4.082 -31.846 12.071 1.00 22.90 N ATOM 636 CA MET A 61 -5.365 -31.938 11.346 1.00 25.85 C ATOM 637 C MET A 61 -6.090 -33.264 11.548 1.00 26.03 C ATOM 638 O MET A 61 -7.283 -33.274 11.839 1.00 26.49 O ATOM 639 CB MET A 61 -5.159 -31.727 9.852 1.00 25.47 C ATOM 640 CG MET A 61 -5.581 -30.378 9.341 1.00 28.05 C ATOM 641 SD MET A 61 -5.979 -30.477 7.588 1.00 31.78 S ATOM 642 CE MET A 61 -4.394 -31.045 6.981 1.00 34.67 C ATOM 643 HA MET A 61 -5.988 -31.149 11.768 1.00 0.00 H ATOM 644 HB2 MET A 61 -4.099 -31.856 9.634 1.00 0.00 H ATOM 645 HB3 MET A 61 -5.733 -32.486 9.320 1.00 0.00 H ATOM 646 HG2 MET A 61 -4.768 -29.667 9.487 1.00 0.00 H ATOM 647 HG3 MET A 61 -6.459 -30.042 9.892 1.00 0.00 H ATOM 648 HE1 MET A 61 -3.627 -30.312 7.231 1.00 0.00 H ATOM 649 HE2 MET A 61 -4.150 -32.001 7.445 1.00 0.00 H ATOM 650 HE3 MET A 61 -4.443 -31.167 5.899 1.00 0.00 H ATOM 651 H MET A 61 -3.200 -31.754 11.527 1.00 0.00 H ATOM 652 N VAL A 62 -5.381 -34.378 11.387 1.00 26.93 N ATOM 653 CA VAL A 62 -6.024 -35.696 11.460 1.00 27.76 C ATOM 654 C VAL A 62 -6.150 -36.264 12.880 1.00 28.18 C ATOM 655 O VAL A 62 -6.994 -37.140 13.121 1.00 28.57 O ATOM 656 CB VAL A 62 -5.333 -36.731 10.555 1.00 27.76 C ATOM 657 CG1 VAL A 62 -6.185 -37.991 10.477 1.00 28.48 C ATOM 658 CG2 VAL A 62 -5.142 -36.162 9.164 1.00 28.36 C ATOM 659 HA VAL A 62 -7.036 -35.514 11.099 1.00 0.00 H ATOM 660 HB VAL A 62 -4.358 -36.975 10.976 1.00 0.00 H ATOM 661 HG11 VAL A 62 -6.308 -38.408 11.477 1.00 0.00 H ATOM 662 HG12 VAL A 62 -7.162 -37.742 10.063 1.00 0.00 H ATOM 663 HG13 VAL A 62 -5.693 -38.722 9.835 1.00 0.00 H ATOM 664 HG21 VAL A 62 -6.114 -35.908 8.740 1.00 0.00 H ATOM 665 HG22 VAL A 62 -4.523 -35.266 9.221 1.00 0.00 H ATOM 666 HG23 VAL A 62 -4.652 -36.904 8.533 1.00 0.00 H ATOM 667 H VAL A 62 -4.359 -34.315 11.207 1.00 0.00 H ATOM 668 N LYS A 63 -5.320 -35.798 13.812 1.00 27.65 N ATOM 669 CA LYS A 63 -5.565 -36.064 15.224 1.00 28.06 C ATOM 670 C LYS A 63 -6.636 -35.097 15.770 1.00 27.15 C ATOM 671 O LYS A 63 -7.092 -35.260 16.905 1.00 27.25 O ATOM 672 CB LYS A 63 -4.282 -35.938 16.060 1.00 28.27 C ATOM 673 CG LYS A 63 -3.177 -36.973 15.760 1.00 30.13 C ATOM 674 CD LYS A 63 -3.492 -38.374 16.282 1.00 31.40 C ATOM 675 CE LYS A 63 -3.351 -38.502 17.804 1.00 32.35 C ATOM 676 NZ LYS A 63 -2.066 -39.146 18.248 1.00 33.74 N ATOM 677 HA LYS A 63 -5.921 -37.091 15.306 1.00 0.00 H ATOM 678 HB2 LYS A 63 -3.866 -34.945 15.886 1.00 0.00 H ATOM 679 HB3 LYS A 63 -4.556 -36.037 17.110 1.00 0.00 H ATOM 680 HG2 LYS A 63 -3.042 -37.030 14.680 1.00 0.00 H ATOM 681 HG3 LYS A 63 -2.251 -36.633 16.223 1.00 0.00 H ATOM 682 HD2 LYS A 63 -4.517 -38.623 16.007 1.00 0.00 H ATOM 683 HD3 LYS A 63 -2.809 -39.081 15.811 1.00 0.00 H ATOM 684 HE2 LYS A 63 -4.182 -39.102 18.176 1.00 0.00 H ATOM 685 HE3 LYS A 63 -3.402 -37.504 18.238 1.00 0.00 H ATOM 686 HZ1 LYS A 63 -2.006 -40.106 17.852 1.00 0.00 H ATOM 687 HZ2 LYS A 63 -1.261 -38.580 17.911 1.00 0.00 H ATOM 688 HZ3 LYS A 63 -2.046 -39.196 19.287 1.00 0.00 H ATOM 689 H LYS A 63 -4.490 -35.239 13.530 1.00 0.00 H ATOM 690 N GLN A 64 -7.006 -34.096 14.973 1.00 26.32 N ATOM 691 CA GLN A 64 -7.980 -33.071 15.355 1.00 26.39 C ATOM 692 C GLN A 64 -7.656 -32.446 16.720 1.00 25.42 C ATOM 693 O GLN A 64 -8.490 -32.414 17.631 1.00 25.45 O ATOM 694 CB GLN A 64 -9.402 -33.643 15.316 1.00 26.73 C ATOM 695 CG GLN A 64 -9.843 -34.028 13.918 1.00 26.87 C ATOM 696 CD GLN A 64 -11.335 -34.306 13.819 1.00 28.31 C ATOM 697 OE1 GLN A 64 -12.064 -33.594 13.118 1.00 29.42 O ATOM 698 NE2 GLN A 64 -11.794 -35.352 14.507 1.00 29.85 N ATOM 699 HA GLN A 64 -7.918 -32.264 14.625 1.00 0.00 H ATOM 700 HB2 GLN A 64 -9.438 -34.529 15.949 1.00 0.00 H ATOM 701 HB3 GLN A 64 -10.090 -32.892 15.704 1.00 0.00 H ATOM 702 HG2 GLN A 64 -9.596 -33.212 13.239 1.00 0.00 H ATOM 703 HG3 GLN A 64 -9.302 -34.925 13.618 1.00 0.00 H ATOM 704 HE22 GLN A 64 -11.142 -35.922 15.083 1.00 0.00 H ATOM 705 HE21 GLN A 64 -12.804 -35.598 14.467 1.00 0.00 H ATOM 706 H GLN A 64 -6.579 -34.039 14.026 1.00 0.00 H ATOM 707 N LEU A 65 -6.424 -31.966 16.846 1.00 24.43 N ATOM 708 CA LEU A 65 -5.956 -31.302 18.065 1.00 23.97 C ATOM 709 C LEU A 65 -6.329 -29.815 18.131 1.00 24.07 C ATOM 710 O LEU A 65 -6.252 -29.214 19.198 1.00 23.40 O ATOM 711 CB LEU A 65 -4.436 -31.434 18.183 1.00 23.40 C ATOM 712 CG LEU A 65 -3.890 -32.867 18.186 1.00 23.28 C ATOM 713 CD1 LEU A 65 -2.367 -32.830 18.264 1.00 20.73 C ATOM 714 CD2 LEU A 65 -4.457 -33.681 19.331 1.00 22.13 C ATOM 715 HA LEU A 65 -6.457 -31.802 18.894 1.00 0.00 H ATOM 716 HB2 LEU A 65 -3.988 -30.906 17.341 1.00 0.00 H ATOM 717 HB3 LEU A 65 -4.130 -30.957 19.114 1.00 0.00 H ATOM 718 HG LEU A 65 -4.198 -33.352 17.260 1.00 0.00 H ATOM 719 HD21 LEU A 65 -4.190 -33.210 20.277 1.00 0.00 H ATOM 720 HD22 LEU A 65 -5.542 -33.727 19.240 1.00 0.00 H ATOM 721 HD23 LEU A 65 -4.045 -34.690 19.297 1.00 0.00 H ATOM 722 HD11 LEU A 65 -1.973 -32.292 17.402 1.00 0.00 H ATOM 723 HD12 LEU A 65 -2.064 -32.323 19.180 1.00 0.00 H ATOM 724 HD13 LEU A 65 -1.980 -33.849 18.266 1.00 0.00 H ATOM 725 H LEU A 65 -5.765 -32.066 16.047 1.00 0.00 H ATOM 726 N TYR A 66 -6.693 -29.226 16.993 1.00 24.08 N ATOM 727 CA TYR A 66 -7.118 -27.827 16.945 1.00 25.33 C ATOM 728 C TYR A 66 -8.566 -27.678 17.437 1.00 25.69 C ATOM 729 O TYR A 66 -9.372 -28.599 17.304 1.00 25.90 O ATOM 730 CB TYR A 66 -6.978 -27.264 15.523 1.00 25.20 C ATOM 731 CG TYR A 66 -7.918 -27.904 14.527 1.00 25.71 C ATOM 732 CD1 TYR A 66 -9.218 -27.416 14.353 1.00 25.29 C ATOM 733 CD2 TYR A 66 -7.518 -29.008 13.770 1.00 24.97 C ATOM 734 CE1 TYR A 66 -10.094 -28.012 13.454 1.00 26.61 C ATOM 735 CE2 TYR A 66 -8.393 -29.609 12.861 1.00 26.42 C ATOM 736 CZ TYR A 66 -9.675 -29.099 12.706 1.00 25.77 C ATOM 737 OH TYR A 66 -10.542 -29.685 11.805 1.00 26.66 O ATOM 738 HA TYR A 66 -6.468 -27.256 17.609 1.00 0.00 H ATOM 739 HB3 TYR A 66 -5.954 -27.427 15.186 1.00 0.00 H ATOM 740 HB2 TYR A 66 -7.183 -26.194 15.553 1.00 0.00 H ATOM 741 HD2 TYR A 66 -6.510 -29.406 13.890 1.00 0.00 H ATOM 742 HE2 TYR A 66 -8.071 -30.472 12.278 1.00 0.00 H ATOM 743 HE1 TYR A 66 -11.107 -27.625 13.338 1.00 0.00 H ATOM 744 HD1 TYR A 66 -9.549 -26.554 14.932 1.00 0.00 H ATOM 745 HH TYR A 66 -10.687 -30.632 12.056 1.00 0.00 H ATOM 746 H TYR A 66 -6.674 -29.778 16.112 1.00 0.00 H ATOM 747 N ASP A 67 -8.897 -26.522 17.995 1.00 26.05 N ATOM 748 CA ASP A 67 -10.250 -26.287 18.477 1.00 27.00 C ATOM 749 C ASP A 67 -11.166 -26.030 17.283 1.00 27.54 C ATOM 750 O ASP A 67 -10.922 -25.104 16.517 1.00 27.38 O ATOM 751 CB ASP A 67 -10.282 -25.096 19.442 1.00 27.24 C ATOM 752 CG ASP A 67 -11.637 -24.912 20.092 1.00 28.30 C ATOM 753 OD1 ASP A 67 -11.754 -25.180 21.305 1.00 32.97 O ATOM 754 OD2 ASP A 67 -12.585 -24.521 19.384 1.00 29.34 O ATOM 755 HA ASP A 67 -10.596 -27.166 19.020 1.00 0.00 H ATOM 756 HB2 ASP A 67 -9.539 -25.258 20.223 1.00 0.00 H ATOM 757 HB3 ASP A 67 -10.034 -24.190 18.888 1.00 0.00 H ATOM 758 H ASP A 67 -8.181 -25.774 18.090 1.00 0.00 H ATOM 759 N GLN A 68 -12.210 -26.844 17.125 1.00 28.68 N ATOM 760 CA GLN A 68 -13.176 -26.659 16.018 1.00 30.10 C ATOM 761 C GLN A 68 -13.720 -25.224 15.922 1.00 30.07 C ATOM 762 O GLN A 68 -13.901 -24.696 14.823 1.00 30.57 O ATOM 763 CB GLN A 68 -14.358 -27.651 16.113 1.00 30.43 C ATOM 764 CG GLN A 68 -14.353 -28.807 15.070 1.00 33.41 C ATOM 765 CD GLN A 68 -13.776 -30.105 15.614 1.00 35.15 C ATOM 766 OE1 GLN A 68 -14.218 -30.605 16.650 1.00 39.08 O ATOM 767 NE2 GLN A 68 -12.781 -30.652 14.926 1.00 35.56 N ATOM 768 HA GLN A 68 -12.609 -26.862 15.109 1.00 0.00 H ATOM 769 HB2 GLN A 68 -14.343 -28.097 17.108 1.00 0.00 H ATOM 770 HB3 GLN A 68 -15.281 -27.086 15.983 1.00 0.00 H ATOM 771 HG2 GLN A 68 -15.379 -28.991 14.752 1.00 0.00 H ATOM 772 HG3 GLN A 68 -13.758 -28.496 14.211 1.00 0.00 H ATOM 773 HE22 GLN A 68 -12.438 -30.197 14.056 1.00 0.00 H ATOM 774 HE21 GLN A 68 -12.344 -31.536 15.257 1.00 0.00 H ATOM 775 H GLN A 68 -12.349 -27.627 17.795 1.00 0.00 H ATOM 776 N GLN A 69 -13.977 -24.607 17.073 1.00 30.29 N ATOM 777 CA GLN A 69 -14.498 -23.237 17.131 1.00 30.20 C ATOM 778 C GLN A 69 -13.425 -22.180 16.914 1.00 30.28 C ATOM 779 O GLN A 69 -13.677 -21.163 16.271 1.00 31.18 O ATOM 780 CB GLN A 69 -15.167 -22.980 18.480 1.00 30.35 C ATOM 781 HA GLN A 69 -15.220 -23.155 16.318 1.00 0.00 H ATOM 782 HB2 GLN A 69 -15.991 -23.680 18.615 1.00 0.00 H ATOM 783 HB3 GLN A 69 -14.437 -23.118 19.278 1.00 0.00 H ATOM 784 H GLN A 69 -13.802 -25.115 17.964 1.00 0.00 H ATOM 785 N GLU A 70 -12.230 -22.422 17.446 1.00 29.50 N ATOM 786 CA GLU A 70 -11.160 -21.437 17.461 1.00 29.18 C ATOM 787 C GLU A 70 -9.898 -22.087 16.889 1.00 28.29 C ATOM 788 O GLU A 70 -9.039 -22.538 17.645 1.00 27.53 O ATOM 789 CB GLU A 70 -10.962 -20.983 18.914 1.00 29.15 C ATOM 790 CG GLU A 70 -10.016 -19.847 19.105 1.00 30.27 C ATOM 791 CD GLU A 70 -10.164 -19.182 20.471 1.00 30.77 C ATOM 792 OE1 GLU A 70 -10.235 -17.941 20.516 1.00 34.88 O ATOM 793 OE2 GLU A 70 -10.217 -19.893 21.499 1.00 34.27 O ATOM 794 HA GLU A 70 -11.396 -20.564 16.852 1.00 0.00 H ATOM 795 HB2 GLU A 70 -11.933 -20.683 19.308 1.00 0.00 H ATOM 796 HB3 GLU A 70 -10.587 -21.833 19.484 1.00 0.00 H ATOM 797 HG2 GLU A 70 -8.997 -20.221 19.007 1.00 0.00 H ATOM 798 HG3 GLU A 70 -10.204 -19.102 18.332 1.00 0.00 H ATOM 799 H GLU A 70 -12.053 -23.355 17.869 1.00 0.00 H ATOM 800 N GLN A 71 -9.800 -22.127 15.556 1.00 27.14 N ATOM 801 CA GLN A 71 -8.896 -23.068 14.872 1.00 26.84 C ATOM 802 C GLN A 71 -7.426 -22.651 14.811 1.00 26.32 C ATOM 803 O GLN A 71 -6.586 -23.403 14.309 1.00 26.15 O ATOM 804 CB GLN A 71 -9.434 -23.423 13.471 1.00 26.62 C ATOM 805 CG GLN A 71 -10.748 -24.220 13.540 1.00 26.54 C ATOM 806 CD GLN A 71 -11.215 -24.808 12.212 1.00 26.59 C ATOM 807 OE1 GLN A 71 -10.469 -24.885 11.242 1.00 26.31 O ATOM 808 NE2 GLN A 71 -12.468 -25.237 12.179 1.00 27.35 N ATOM 809 HA GLN A 71 -8.894 -23.957 15.503 1.00 0.00 H ATOM 810 HB2 GLN A 71 -9.611 -22.500 12.918 1.00 0.00 H ATOM 811 HB3 GLN A 71 -8.687 -24.021 12.949 1.00 0.00 H ATOM 812 HG2 GLN A 71 -10.610 -25.041 14.244 1.00 0.00 H ATOM 813 HG3 GLN A 71 -11.529 -23.555 13.909 1.00 0.00 H ATOM 814 HE22 GLN A 71 -13.069 -25.154 13.024 1.00 0.00 H ATOM 815 HE21 GLN A 71 -12.851 -25.657 11.308 1.00 0.00 H ATOM 816 H GLN A 71 -10.378 -21.476 14.987 1.00 0.00 H ATOM 817 N HIS A 72 -7.102 -21.468 15.326 1.00 26.15 N ATOM 818 CA HIS A 72 -5.694 -21.118 15.526 1.00 25.95 C ATOM 819 C HIS A 72 -5.147 -21.814 16.780 1.00 25.23 C ATOM 820 O HIS A 72 -3.940 -21.966 16.937 1.00 25.38 O ATOM 821 CB HIS A 72 -5.479 -19.598 15.567 1.00 26.33 C ATOM 822 CG HIS A 72 -6.018 -18.917 16.791 1.00 27.08 C ATOM 823 ND1 HIS A 72 -7.365 -18.764 17.035 1.00 28.92 N ATOM 824 CD2 HIS A 72 -5.380 -18.283 17.804 1.00 28.39 C ATOM 825 CE1 HIS A 72 -7.531 -18.093 18.162 1.00 28.59 C ATOM 826 NE2 HIS A 72 -6.342 -17.795 18.651 1.00 28.97 N ATOM 827 HA HIS A 72 -5.129 -21.479 14.667 1.00 0.00 H ATOM 828 HB2 HIS A 72 -4.407 -19.406 15.516 1.00 0.00 H ATOM 829 HB3 HIS A 72 -5.967 -19.163 14.695 1.00 0.00 H ATOM 830 HD2 HIS A 72 -4.302 -18.180 17.924 1.00 0.00 H ATOM 831 HE1 HIS A 72 -8.489 -17.830 18.612 1.00 0.00 H ATOM 832 H HIS A 72 -7.848 -20.792 15.586 1.00 0.00 H ATOM 833 N MET A 73 -6.048 -22.245 17.656 1.00 24.46 N ATOM 834 CA MET A 73 -5.668 -22.885 18.910 1.00 23.81 C ATOM 835 C MET A 73 -5.546 -24.391 18.771 1.00 23.34 C ATOM 836 O MET A 73 -6.490 -25.069 18.359 1.00 22.75 O ATOM 837 CB MET A 73 -6.671 -22.558 20.012 1.00 23.91 C ATOM 838 CG MET A 73 -6.666 -21.088 20.382 1.00 24.49 C ATOM 839 SD MET A 73 -5.072 -20.539 20.981 1.00 25.34 S ATOM 840 CE MET A 73 -5.010 -21.383 22.559 1.00 24.20 C ATOM 841 HA MET A 73 -4.689 -22.488 19.178 1.00 0.00 H ATOM 842 HB2 MET A 73 -7.669 -22.829 19.669 1.00 0.00 H ATOM 843 HB3 MET A 73 -6.421 -23.143 20.897 1.00 0.00 H ATOM 844 HG2 MET A 73 -7.409 -20.921 21.161 1.00 0.00 H ATOM 845 HG3 MET A 73 -6.929 -20.504 19.500 1.00 0.00 H ATOM 846 HE1 MET A 73 -5.848 -21.058 23.176 1.00 0.00 H ATOM 847 HE2 MET A 73 -5.072 -22.459 22.397 1.00 0.00 H ATOM 848 HE3 MET A 73 -4.073 -21.144 23.061 1.00 0.00 H ATOM 849 H MET A 73 -7.058 -22.122 17.440 1.00 0.00 H ATOM 850 N VAL A 74 -4.368 -24.886 19.138 1.00 22.40 N ATOM 851 CA VAL A 74 -4.049 -26.301 19.138 1.00 22.36 C ATOM 852 C VAL A 74 -3.930 -26.761 20.582 1.00 22.65 C ATOM 853 O VAL A 74 -3.123 -26.227 21.338 1.00 22.42 O ATOM 854 CB VAL A 74 -2.723 -26.550 18.411 1.00 22.31 C ATOM 855 CG1 VAL A 74 -2.333 -28.040 18.461 1.00 21.06 C ATOM 856 CG2 VAL A 74 -2.808 -26.051 16.966 1.00 20.79 C ATOM 857 HA VAL A 74 -4.834 -26.855 18.622 1.00 0.00 H ATOM 858 HB VAL A 74 -1.941 -25.989 18.923 1.00 0.00 H ATOM 859 HG11 VAL A 74 -2.225 -28.351 19.500 1.00 0.00 H ATOM 860 HG12 VAL A 74 -3.111 -28.634 17.981 1.00 0.00 H ATOM 861 HG13 VAL A 74 -1.388 -28.185 17.937 1.00 0.00 H ATOM 862 HG21 VAL A 74 -3.605 -26.582 16.446 1.00 0.00 H ATOM 863 HG22 VAL A 74 -3.021 -24.982 16.964 1.00 0.00 H ATOM 864 HG23 VAL A 74 -1.859 -26.235 16.463 1.00 0.00 H ATOM 865 H VAL A 74 -3.631 -24.219 19.443 1.00 0.00 H ATOM 866 N TYR A 75 -4.755 -27.727 20.965 1.00 23.03 N ATOM 867 CA TYR A 75 -4.699 -28.317 22.297 1.00 23.58 C ATOM 868 C TYR A 75 -3.947 -29.647 22.221 1.00 23.92 C ATOM 869 O TYR A 75 -4.460 -30.640 21.709 1.00 23.23 O ATOM 870 CB TYR A 75 -6.111 -28.450 22.870 1.00 24.65 C ATOM 871 CG TYR A 75 -6.697 -27.089 23.187 1.00 25.32 C ATOM 872 CD1 TYR A 75 -7.554 -26.450 22.298 1.00 26.93 C ATOM 873 CD2 TYR A 75 -6.329 -26.403 24.350 1.00 26.98 C ATOM 874 CE1 TYR A 75 -8.064 -25.175 22.570 1.00 26.25 C ATOM 875 CE2 TYR A 75 -6.841 -25.128 24.637 1.00 26.31 C ATOM 876 CZ TYR A 75 -7.704 -24.525 23.734 1.00 27.11 C ATOM 877 OH TYR A 75 -8.219 -23.274 23.986 1.00 27.28 O ATOM 878 HA TYR A 75 -4.150 -27.673 22.984 1.00 0.00 H ATOM 879 HB3 TYR A 75 -6.071 -29.043 23.784 1.00 0.00 H ATOM 880 HB2 TYR A 75 -6.747 -28.951 22.140 1.00 0.00 H ATOM 881 HD2 TYR A 75 -5.631 -26.868 25.046 1.00 0.00 H ATOM 882 HE2 TYR A 75 -6.564 -24.617 25.559 1.00 0.00 H ATOM 883 HE1 TYR A 75 -8.744 -24.696 21.865 1.00 0.00 H ATOM 884 HD1 TYR A 75 -7.834 -26.951 21.372 1.00 0.00 H ATOM 885 HH TYR A 75 -8.810 -23.005 23.239 1.00 0.00 H ATOM 886 H TYR A 75 -5.467 -28.076 20.291 1.00 0.00 H ATOM 887 N CYS A 76 -2.709 -29.634 22.708 1.00 24.69 N ATOM 888 CA CYS A 76 -1.780 -30.763 22.564 1.00 25.28 C ATOM 889 C CYS A 76 -1.454 -31.451 23.895 1.00 25.25 C ATOM 890 O CYS A 76 -0.669 -32.412 23.934 1.00 25.44 O ATOM 891 CB CYS A 76 -0.507 -30.278 21.873 1.00 25.36 C ATOM 892 SG CYS A 76 0.134 -28.743 22.546 1.00 28.86 S ATOM 893 HA CYS A 76 -2.272 -31.520 21.954 1.00 0.00 H ATOM 894 HB2 CYS A 76 -0.724 -30.127 20.816 1.00 0.00 H ATOM 895 HB3 CYS A 76 0.258 -31.047 21.979 1.00 0.00 H ATOM 896 HG CYS A 76 0.430 -28.917 23.883 1.00 0.00 H ATOM 897 H CYS A 76 -2.384 -28.786 23.214 1.00 0.00 H ATOM 898 N GLY A 77 -2.071 -30.983 24.980 1.00 25.02 N ATOM 899 CA GLY A 77 -1.924 -31.628 26.272 1.00 24.70 C ATOM 900 C GLY A 77 -2.372 -33.074 26.188 1.00 24.47 C ATOM 901 O GLY A 77 -3.413 -33.375 25.615 1.00 24.74 O ATOM 902 HA3 GLY A 77 -2.534 -31.104 27.008 1.00 0.00 H ATOM 903 HA2 GLY A 77 -0.878 -31.592 26.576 1.00 0.00 H ATOM 904 H GLY A 77 -2.671 -30.137 24.899 1.00 0.00 H ATOM 905 N GLY A 78 -1.563 -33.974 26.733 1.00 23.65 N ATOM 906 CA GLY A 78 -1.857 -35.405 26.683 1.00 23.30 C ATOM 907 C GLY A 78 -1.501 -36.076 25.364 1.00 22.68 C ATOM 908 O GLY A 78 -1.715 -37.269 25.201 1.00 23.06 O ATOM 909 HA3 GLY A 78 -2.925 -35.540 26.857 1.00 0.00 H ATOM 910 HA2 GLY A 78 -1.296 -35.896 27.478 1.00 0.00 H ATOM 911 H GLY A 78 -0.696 -33.652 27.209 1.00 0.00 H ATOM 912 N ASP A 79 -0.946 -35.310 24.430 1.00 21.73 N ATOM 913 CA ASP A 79 -0.427 -35.847 23.186 1.00 20.83 C ATOM 914 C ASP A 79 1.082 -35.759 23.227 1.00 20.05 C ATOM 915 O ASP A 79 1.642 -34.911 23.899 1.00 19.93 O ATOM 916 CB ASP A 79 -0.946 -35.024 22.011 1.00 21.07 C ATOM 917 CG ASP A 79 -0.770 -35.723 20.686 1.00 20.58 C ATOM 918 OD1 ASP A 79 -1.658 -36.522 20.316 1.00 21.43 O ATOM 919 OD2 ASP A 79 0.256 -35.467 20.012 1.00 20.77 O ATOM 920 HA ASP A 79 -0.748 -36.882 23.064 1.00 0.00 H ATOM 921 HB2 ASP A 79 -2.007 -34.829 22.164 1.00 0.00 H ATOM 922 HB3 ASP A 79 -0.404 -34.079 21.981 1.00 0.00 H ATOM 923 H ASP A 79 -0.881 -34.286 24.598 1.00 0.00 H ATOM 924 N LEU A 80 1.741 -36.619 22.473 1.00 18.97 N ATOM 925 CA LEU A 80 3.194 -36.547 22.339 1.00 18.65 C ATOM 926 C LEU A 80 3.677 -35.161 21.861 1.00 17.43 C ATOM 927 O LEU A 80 4.746 -34.686 22.265 1.00 17.35 O ATOM 928 CB LEU A 80 3.673 -37.678 21.411 1.00 18.32 C ATOM 929 CG LEU A 80 5.172 -37.778 21.128 1.00 19.00 C ATOM 930 CD1 LEU A 80 5.946 -37.868 22.437 1.00 20.29 C ATOM 931 CD2 LEU A 80 5.450 -38.967 20.217 1.00 19.09 C ATOM 932 HA LEU A 80 3.639 -36.684 23.325 1.00 0.00 H ATOM 933 HB2 LEU A 80 3.363 -38.621 21.860 1.00 0.00 H ATOM 934 HB3 LEU A 80 3.168 -37.549 20.453 1.00 0.00 H ATOM 935 HG LEU A 80 5.508 -36.880 20.610 1.00 0.00 H ATOM 936 HD21 LEU A 80 5.114 -39.882 20.704 1.00 0.00 H ATOM 937 HD22 LEU A 80 4.914 -38.836 19.277 1.00 0.00 H ATOM 938 HD23 LEU A 80 6.520 -39.030 20.021 1.00 0.00 H ATOM 939 HD11 LEU A 80 5.752 -36.977 23.034 1.00 0.00 H ATOM 940 HD12 LEU A 80 5.625 -38.752 22.987 1.00 0.00 H ATOM 941 HD13 LEU A 80 7.012 -37.939 22.223 1.00 0.00 H ATOM 942 H LEU A 80 1.217 -37.360 21.966 1.00 0.00 H ATOM 943 N LEU A 81 2.880 -34.495 21.021 1.00 16.84 N ATOM 944 CA LEU A 81 3.209 -33.141 20.564 1.00 16.70 C ATOM 945 C LEU A 81 3.299 -32.138 21.740 1.00 17.41 C ATOM 946 O LEU A 81 4.186 -31.290 21.781 1.00 15.77 O ATOM 947 CB LEU A 81 2.161 -32.663 19.559 1.00 16.67 C ATOM 948 CG LEU A 81 2.335 -31.257 18.981 1.00 15.84 C ATOM 949 CD1 LEU A 81 3.711 -31.058 18.383 1.00 16.12 C ATOM 950 CD2 LEU A 81 1.230 -30.985 17.954 1.00 16.26 C ATOM 951 HA LEU A 81 4.189 -33.184 20.088 1.00 0.00 H ATOM 952 HB2 LEU A 81 2.164 -33.364 18.724 1.00 0.00 H ATOM 953 HB3 LEU A 81 1.191 -32.696 20.056 1.00 0.00 H ATOM 954 HG LEU A 81 2.247 -30.536 19.794 1.00 0.00 H ATOM 955 HD21 LEU A 81 1.294 -31.719 17.151 1.00 0.00 H ATOM 956 HD22 LEU A 81 0.257 -31.060 18.440 1.00 0.00 H ATOM 957 HD23 LEU A 81 1.356 -29.983 17.544 1.00 0.00 H ATOM 958 HD11 LEU A 81 4.466 -31.206 19.155 1.00 0.00 H ATOM 959 HD12 LEU A 81 3.865 -31.779 17.580 1.00 0.00 H ATOM 960 HD13 LEU A 81 3.790 -30.046 17.985 1.00 0.00 H ATOM 961 H LEU A 81 2.006 -34.947 20.683 1.00 0.00 H ATOM 962 N GLY A 82 2.364 -32.247 22.680 1.00 18.37 N ATOM 963 CA GLY A 82 2.382 -31.418 23.904 1.00 19.43 C ATOM 964 C GLY A 82 3.583 -31.715 24.781 1.00 20.31 C ATOM 965 O GLY A 82 4.188 -30.787 25.314 1.00 20.90 O ATOM 966 HA3 GLY A 82 1.474 -31.614 24.474 1.00 0.00 H ATOM 967 HA2 GLY A 82 2.409 -30.367 23.616 1.00 0.00 H ATOM 968 H GLY A 82 1.597 -32.937 22.550 1.00 0.00 H ATOM 969 N GLU A 83 3.925 -33.002 24.910 1.00 21.32 N ATOM 970 CA GLU A 83 5.176 -33.453 25.563 1.00 22.38 C ATOM 971 C GLU A 83 6.369 -32.721 24.964 1.00 22.38 C ATOM 972 O GLU A 83 7.193 -32.134 25.684 1.00 22.23 O ATOM 973 CB GLU A 83 5.424 -34.963 25.380 1.00 22.88 C ATOM 974 CG GLU A 83 4.411 -35.937 25.974 1.00 24.75 C ATOM 975 CD GLU A 83 4.687 -36.291 27.413 1.00 26.39 C ATOM 976 OE1 GLU A 83 5.848 -36.507 27.796 1.00 30.24 O ATOM 977 OE2 GLU A 83 3.729 -36.335 28.186 1.00 27.45 O ATOM 978 HA GLU A 83 5.064 -33.236 26.625 1.00 0.00 H ATOM 979 HB2 GLU A 83 5.468 -35.156 24.308 1.00 0.00 H ATOM 980 HB3 GLU A 83 6.391 -35.189 25.829 1.00 0.00 H ATOM 981 HG2 GLU A 83 3.421 -35.485 25.914 1.00 0.00 H ATOM 982 HG3 GLU A 83 4.427 -36.853 25.384 1.00 0.00 H ATOM 983 H GLU A 83 3.279 -33.724 24.532 1.00 0.00 H ATOM 984 N LEU A 84 6.453 -32.760 23.634 1.00 22.23 N ATOM 985 CA LEU A 84 7.533 -32.099 22.885 1.00 22.01 C ATOM 986 C LEU A 84 7.571 -30.581 23.066 1.00 22.37 C ATOM 987 O LEU A 84 8.642 -29.984 23.252 1.00 21.56 O ATOM 988 CB LEU A 84 7.406 -32.420 21.390 1.00 22.23 C ATOM 989 CG LEU A 84 8.191 -33.612 20.870 1.00 22.05 C ATOM 990 CD1 LEU A 84 7.844 -33.873 19.411 1.00 22.16 C ATOM 991 CD2 LEU A 84 9.673 -33.349 21.041 1.00 23.84 C ATOM 992 HA LEU A 84 8.464 -32.492 23.293 1.00 0.00 H ATOM 993 HB2 LEU A 84 6.352 -32.604 21.182 1.00 0.00 H ATOM 994 HB3 LEU A 84 7.737 -31.542 20.836 1.00 0.00 H ATOM 995 HG LEU A 84 7.927 -34.503 21.440 1.00 0.00 H ATOM 996 HD21 LEU A 84 9.949 -32.456 20.480 1.00 0.00 H ATOM 997 HD22 LEU A 84 9.894 -33.198 22.098 1.00 0.00 H ATOM 998 HD23 LEU A 84 10.238 -34.204 20.668 1.00 0.00 H ATOM 999 HD11 LEU A 84 6.778 -34.082 19.324 1.00 0.00 H ATOM 1000 HD12 LEU A 84 8.093 -32.994 18.817 1.00 0.00 H ATOM 1001 HD13 LEU A 84 8.414 -34.730 19.051 1.00 0.00 H ATOM 1002 H LEU A 84 5.725 -33.279 23.104 1.00 0.00 H ATOM 1003 N LEU A 85 6.399 -29.952 22.989 1.00 22.57 N ATOM 1004 CA LEU A 85 6.309 -28.504 23.166 1.00 23.19 C ATOM 1005 C LEU A 85 6.471 -28.087 24.626 1.00 23.93 C ATOM 1006 O LEU A 85 6.841 -26.942 24.900 1.00 24.20 O ATOM 1007 CB LEU A 85 4.970 -27.985 22.637 1.00 23.14 C ATOM 1008 CG LEU A 85 4.835 -27.849 21.123 1.00 23.68 C ATOM 1009 CD1 LEU A 85 3.356 -27.700 20.728 1.00 23.62 C ATOM 1010 CD2 LEU A 85 5.648 -26.681 20.633 1.00 24.65 C ATOM 1011 HA LEU A 85 7.129 -28.065 22.598 1.00 0.00 H ATOM 1012 HB2 LEU A 85 4.193 -28.669 22.978 1.00 0.00 H ATOM 1013 HB3 LEU A 85 4.802 -27.000 23.073 1.00 0.00 H ATOM 1014 HG LEU A 85 5.219 -28.753 20.650 1.00 0.00 H ATOM 1015 HD21 LEU A 85 5.291 -25.767 21.108 1.00 0.00 H ATOM 1016 HD22 LEU A 85 6.696 -26.838 20.886 1.00 0.00 H ATOM 1017 HD23 LEU A 85 5.543 -26.595 19.551 1.00 0.00 H ATOM 1018 HD11 LEU A 85 2.803 -28.580 21.057 1.00 0.00 H ATOM 1019 HD12 LEU A 85 2.942 -26.811 21.203 1.00 0.00 H ATOM 1020 HD13 LEU A 85 3.278 -27.604 19.645 1.00 0.00 H ATOM 1021 H LEU A 85 5.535 -30.500 22.800 1.00 0.00 H ATOM 1022 N GLY A 86 6.184 -29.002 25.553 1.00 24.50 N ATOM 1023 CA GLY A 86 6.164 -28.678 26.984 1.00 25.36 C ATOM 1024 C GLY A 86 5.043 -27.706 27.292 1.00 26.30 C ATOM 1025 O GLY A 86 5.230 -26.712 28.013 1.00 26.85 O ATOM 1026 HA3 GLY A 86 7.117 -28.228 27.264 1.00 0.00 H ATOM 1027 HA2 GLY A 86 6.014 -29.593 27.557 1.00 0.00 H ATOM 1028 H GLY A 86 5.968 -29.974 25.253 1.00 0.00 H ATOM 1029 N ARG A 87 3.873 -28.003 26.732 1.00 26.64 N ATOM 1030 CA ARG A 87 2.734 -27.088 26.708 1.00 27.45 C ATOM 1031 C ARG A 87 1.440 -27.851 26.555 1.00 27.14 C ATOM 1032 O ARG A 87 1.407 -28.880 25.880 1.00 27.27 O ATOM 1033 CB ARG A 87 2.842 -26.155 25.511 1.00 27.86 C ATOM 1034 CG ARG A 87 3.681 -24.955 25.747 1.00 29.79 C ATOM 1035 CD ARG A 87 3.650 -24.114 24.527 1.00 32.89 C ATOM 1036 NE ARG A 87 3.982 -22.727 24.799 1.00 35.93 N ATOM 1037 CZ ARG A 87 3.108 -21.777 25.120 1.00 35.78 C ATOM 1038 NH1 ARG A 87 1.805 -22.030 25.252 1.00 36.41 N ATOM 1039 NH2 ARG A 87 3.551 -20.556 25.312 1.00 36.62 N ATOM 1040 HA ARG A 87 2.741 -26.531 27.645 1.00 0.00 H ATOM 1041 HB2 ARG A 87 3.271 -26.714 24.680 1.00 0.00 H ATOM 1042 HB3 ARG A 87 1.838 -25.823 25.245 1.00 0.00 H ATOM 1043 HG2 ARG A 87 3.288 -24.391 26.593 1.00 0.00 H ATOM 1044 HG3 ARG A 87 4.706 -25.258 25.959 1.00 0.00 H ATOM 1045 HD2 ARG A 87 2.649 -24.156 24.098 1.00 0.00 H ATOM 1046 HD3 ARG A 87 4.368 -24.511 23.810 1.00 0.00 H ATOM 1047 HE ARG A 87 4.984 -22.454 24.738 1.00 0.00 H ATOM 1048 HH12 ARG A 87 1.149 -21.263 25.504 1.00 0.00 H ATOM 1049 HH11 ARG A 87 1.445 -22.994 25.103 1.00 0.00 H ATOM 1050 HH22 ARG A 87 2.888 -19.796 25.564 1.00 0.00 H ATOM 1051 HH21 ARG A 87 4.565 -20.349 25.212 1.00 0.00 H ATOM 1052 H ARG A 87 3.763 -28.937 26.287 1.00 0.00 H ATOM 1053 N GLN A 88 0.376 -27.330 27.155 1.00 27.18 N ATOM 1054 CA GLN A 88 -0.971 -27.881 26.988 1.00 27.37 C ATOM 1055 C GLN A 88 -1.628 -27.347 25.713 1.00 26.29 C ATOM 1056 O GLN A 88 -2.555 -27.961 25.185 1.00 26.53 O ATOM 1057 CB GLN A 88 -1.849 -27.548 28.203 1.00 27.51 C ATOM 1058 CG GLN A 88 -1.508 -28.346 29.467 1.00 28.37 C ATOM 1059 CD GLN A 88 -2.123 -27.767 30.744 1.00 29.88 C ATOM 1060 OE1 GLN A 88 -1.957 -28.325 31.838 1.00 34.24 O ATOM 1061 NE2 GLN A 88 -2.832 -26.648 30.615 1.00 35.19 N ATOM 1062 HA GLN A 88 -0.877 -28.964 26.905 1.00 0.00 H ATOM 1063 HB2 GLN A 88 -1.734 -26.488 28.427 1.00 0.00 H ATOM 1064 HB3 GLN A 88 -2.887 -27.752 27.940 1.00 0.00 H ATOM 1065 HG2 GLN A 88 -1.873 -29.365 29.340 1.00 0.00 H ATOM 1066 HG3 GLN A 88 -0.424 -28.362 29.583 1.00 0.00 H ATOM 1067 HE22 GLN A 88 -2.948 -26.211 29.679 1.00 0.00 H ATOM 1068 HE21 GLN A 88 -3.270 -26.211 31.451 1.00 0.00 H ATOM 1069 H GLN A 88 0.504 -26.499 27.767 1.00 0.00 H ATOM 1070 N SER A 89 -1.161 -26.198 25.231 1.00 25.46 N ATOM 1071 CA SER A 89 -1.684 -25.616 24.002 1.00 24.74 C ATOM 1072 C SER A 89 -0.751 -24.591 23.393 1.00 24.23 C ATOM 1073 O SER A 89 0.202 -24.134 24.025 1.00 23.68 O ATOM 1074 CB SER A 89 -3.028 -24.936 24.276 1.00 25.18 C ATOM 1075 OG SER A 89 -2.846 -23.746 25.024 1.00 26.18 O ATOM 1076 HA SER A 89 -1.795 -26.438 23.295 1.00 0.00 H ATOM 1077 HB2 SER A 89 -3.666 -25.618 24.838 1.00 0.00 H ATOM 1078 HB3 SER A 89 -3.506 -24.693 23.327 1.00 0.00 H ATOM 1079 HG SER A 89 -3.726 -23.324 25.189 1.00 0.00 H ATOM 1080 H SER A 89 -0.404 -25.703 25.744 1.00 0.00 H ATOM 1081 N PHE A 90 -1.029 -24.233 22.151 1.00 23.03 N ATOM 1082 CA PHE A 90 -0.345 -23.126 21.521 1.00 23.39 C ATOM 1083 C PHE A 90 -1.207 -22.540 20.412 1.00 22.79 C ATOM 1084 O PHE A 90 -2.167 -23.155 19.980 1.00 23.43 O ATOM 1085 CB PHE A 90 1.048 -23.536 21.015 1.00 22.80 C ATOM 1086 CG PHE A 90 1.031 -24.347 19.745 1.00 22.39 C ATOM 1087 CD1 PHE A 90 1.304 -23.751 18.522 1.00 21.84 C ATOM 1088 CD2 PHE A 90 0.773 -25.705 19.780 1.00 22.14 C ATOM 1089 CE1 PHE A 90 1.286 -24.497 17.345 1.00 22.47 C ATOM 1090 CE2 PHE A 90 0.769 -26.457 18.612 1.00 22.87 C ATOM 1091 CZ PHE A 90 1.028 -25.851 17.395 1.00 22.53 C ATOM 1092 HA PHE A 90 -0.185 -22.349 22.268 1.00 0.00 H ATOM 1093 HB2 PHE A 90 1.627 -22.630 20.834 1.00 0.00 H ATOM 1094 HB3 PHE A 90 1.534 -24.127 21.792 1.00 0.00 H ATOM 1095 HD2 PHE A 90 0.571 -26.191 20.735 1.00 0.00 H ATOM 1096 HE2 PHE A 90 0.562 -27.526 18.654 1.00 0.00 H ATOM 1097 HZ PHE A 90 1.028 -26.442 16.479 1.00 0.00 H ATOM 1098 HE1 PHE A 90 1.475 -24.012 16.388 1.00 0.00 H ATOM 1099 HD1 PHE A 90 1.535 -22.687 18.481 1.00 0.00 H ATOM 1100 H PHE A 90 -1.752 -24.757 21.618 1.00 0.00 H ATOM 1101 N SER A 91 -0.872 -21.333 19.984 1.00 23.29 N ATOM 1102 CA SER A 91 -1.591 -20.677 18.898 1.00 22.97 C ATOM 1103 C SER A 91 -0.740 -20.620 17.639 1.00 23.54 C ATOM 1104 O SER A 91 0.406 -20.153 17.668 1.00 23.60 O ATOM 1105 CB SER A 91 -1.985 -19.258 19.301 1.00 23.22 C ATOM 1106 OG SER A 91 -2.470 -18.558 18.175 1.00 21.68 O ATOM 1107 HA SER A 91 -2.488 -21.261 18.694 1.00 0.00 H ATOM 1108 HB2 SER A 91 -1.114 -18.740 19.702 1.00 0.00 H ATOM 1109 HB3 SER A 91 -2.763 -19.301 20.063 1.00 0.00 H ATOM 1110 HG SER A 91 -2.724 -17.639 18.443 1.00 0.00 H ATOM 1111 H SER A 91 -0.075 -20.839 20.434 1.00 0.00 H ATOM 1112 N VAL A 92 -1.298 -21.059 16.516 1.00 23.61 N ATOM 1113 CA VAL A 92 -0.594 -20.910 15.230 1.00 24.12 C ATOM 1114 C VAL A 92 -0.400 -19.430 14.828 1.00 24.53 C ATOM 1115 O VAL A 92 0.484 -19.117 14.031 1.00 24.77 O ATOM 1116 CB VAL A 92 -1.226 -21.784 14.085 1.00 24.29 C ATOM 1117 CG1 VAL A 92 -2.699 -21.901 14.222 1.00 24.71 C ATOM 1118 CG2 VAL A 92 -0.835 -21.281 12.706 1.00 24.75 C ATOM 1119 HA VAL A 92 0.408 -21.310 15.383 1.00 0.00 H ATOM 1120 HB VAL A 92 -0.812 -22.787 14.194 1.00 0.00 H ATOM 1121 HG11 VAL A 92 -2.938 -22.368 15.178 1.00 0.00 H ATOM 1122 HG12 VAL A 92 -3.147 -20.908 14.179 1.00 0.00 H ATOM 1123 HG13 VAL A 92 -3.091 -22.513 13.410 1.00 0.00 H ATOM 1124 HG21 VAL A 92 -1.181 -20.255 12.583 1.00 0.00 H ATOM 1125 HG22 VAL A 92 0.250 -21.315 12.602 1.00 0.00 H ATOM 1126 HG23 VAL A 92 -1.294 -21.914 11.946 1.00 0.00 H ATOM 1127 H VAL A 92 -2.235 -21.509 16.545 1.00 0.00 H ATOM 1128 N LYS A 93 -1.185 -18.526 15.415 1.00 24.50 N ATOM 1129 CA LYS A 93 -0.971 -17.083 15.238 1.00 24.98 C ATOM 1130 C LYS A 93 0.171 -16.497 16.109 1.00 24.90 C ATOM 1131 O LYS A 93 0.594 -15.359 15.887 1.00 24.84 O ATOM 1132 CB LYS A 93 -2.271 -16.322 15.525 1.00 25.05 C ATOM 1133 CG LYS A 93 -3.378 -16.556 14.500 1.00 25.41 C ATOM 1134 CD LYS A 93 -4.490 -15.512 14.645 1.00 25.76 C ATOM 1135 HA LYS A 93 -0.664 -16.954 14.200 1.00 0.00 H ATOM 1136 HB2 LYS A 93 -2.640 -16.633 16.502 1.00 0.00 H ATOM 1137 HB3 LYS A 93 -2.045 -15.256 15.546 1.00 0.00 H ATOM 1138 HG2 LYS A 93 -2.956 -16.490 13.497 1.00 0.00 H ATOM 1139 HG3 LYS A 93 -3.800 -17.550 14.651 1.00 0.00 H ATOM 1140 HD2 LYS A 93 -4.919 -15.577 15.645 1.00 0.00 H ATOM 1141 HD3 LYS A 93 -4.074 -14.516 14.490 1.00 0.00 H ATOM 1142 H LYS A 93 -1.970 -18.851 16.014 1.00 0.00 H ATOM 1143 N ASP A 94 0.640 -17.257 17.101 1.00 24.66 N ATOM 1144 CA ASP A 94 1.849 -16.920 17.865 1.00 24.97 C ATOM 1145 C ASP A 94 2.702 -18.192 17.972 1.00 24.36 C ATOM 1146 O ASP A 94 2.825 -18.771 19.039 1.00 23.65 O ATOM 1147 CB ASP A 94 1.494 -16.367 19.257 1.00 25.21 C ATOM 1148 CG ASP A 94 2.735 -16.032 20.107 1.00 26.43 C ATOM 1149 OD1 ASP A 94 2.609 -15.942 21.344 1.00 28.11 O ATOM 1150 OD2 ASP A 94 3.836 -15.857 19.558 1.00 28.98 O ATOM 1151 HA ASP A 94 2.408 -16.135 17.355 1.00 0.00 H ATOM 1152 HB2 ASP A 94 0.904 -15.459 19.130 1.00 0.00 H ATOM 1153 HB3 ASP A 94 0.901 -17.113 19.786 1.00 0.00 H ATOM 1154 H ASP A 94 0.126 -18.128 17.344 1.00 0.00 H ATOM 1155 N PRO A 95 3.292 -18.624 16.844 1.00 24.38 N ATOM 1156 CA PRO A 95 3.929 -19.941 16.749 1.00 24.07 C ATOM 1157 C PRO A 95 5.334 -20.075 17.353 1.00 24.03 C ATOM 1158 O PRO A 95 5.970 -21.117 17.172 1.00 23.30 O ATOM 1159 CB PRO A 95 3.979 -20.175 15.235 1.00 24.13 C ATOM 1160 CG PRO A 95 4.145 -18.818 14.669 1.00 24.55 C ATOM 1161 CD PRO A 95 3.368 -17.891 15.565 1.00 24.24 C ATOM 1162 HA PRO A 95 3.363 -20.667 17.333 1.00 0.00 H ATOM 1163 HD3 PRO A 95 3.890 -16.943 15.690 1.00 0.00 H ATOM 1164 HD2 PRO A 95 2.372 -17.705 15.163 1.00 0.00 H ATOM 1165 HG3 PRO A 95 3.751 -18.781 13.654 1.00 0.00 H ATOM 1166 HG2 PRO A 95 5.199 -18.539 14.659 1.00 0.00 H ATOM 1167 HB2 PRO A 95 4.822 -20.812 14.969 1.00 0.00 H ATOM 1168 HB3 PRO A 95 3.054 -20.632 14.882 1.00 0.00 H ATOM 1169 N SER A 96 5.822 -19.077 18.093 1.00 23.69 N ATOM 1170 CA SER A 96 7.197 -19.152 18.594 1.00 23.81 C ATOM 1171 C SER A 96 7.540 -20.434 19.402 1.00 23.30 C ATOM 1172 O SER A 96 8.640 -20.954 19.244 1.00 22.96 O ATOM 1173 CB SER A 96 7.606 -17.880 19.360 1.00 23.95 C ATOM 1174 OG SER A 96 6.954 -17.779 20.601 1.00 26.17 O ATOM 1175 HA SER A 96 7.802 -19.222 17.690 1.00 0.00 H ATOM 1176 HB2 SER A 96 7.351 -17.009 18.757 1.00 0.00 H ATOM 1177 HB3 SER A 96 8.683 -17.902 19.529 1.00 0.00 H ATOM 1178 HG SER A 96 7.185 -18.564 21.159 1.00 0.00 H ATOM 1179 H SER A 96 5.230 -18.251 18.313 1.00 0.00 H ATOM 1180 N PRO A 97 6.615 -20.963 20.233 1.00 23.18 N ATOM 1181 CA PRO A 97 6.978 -22.228 20.912 1.00 22.80 C ATOM 1182 C PRO A 97 7.076 -23.442 19.979 1.00 21.75 C ATOM 1183 O PRO A 97 7.752 -24.432 20.303 1.00 21.52 O ATOM 1184 CB PRO A 97 5.850 -22.440 21.924 1.00 23.21 C ATOM 1185 CG PRO A 97 4.779 -21.513 21.557 1.00 23.47 C ATOM 1186 CD PRO A 97 5.277 -20.490 20.614 1.00 23.52 C ATOM 1187 HA PRO A 97 7.972 -22.146 21.351 1.00 0.00 H ATOM 1188 HD3 PRO A 97 4.629 -20.422 19.741 1.00 0.00 H ATOM 1189 HD2 PRO A 97 5.336 -19.515 21.098 1.00 0.00 H ATOM 1190 HG3 PRO A 97 4.407 -21.021 22.456 1.00 0.00 H ATOM 1191 HG2 PRO A 97 3.968 -22.070 21.087 1.00 0.00 H ATOM 1192 HB2 PRO A 97 5.491 -23.468 21.877 1.00 0.00 H ATOM 1193 HB3 PRO A 97 6.204 -22.226 22.932 1.00 0.00 H ATOM 1194 N LEU A 98 6.393 -23.366 18.844 1.00 20.67 N ATOM 1195 CA LEU A 98 6.492 -24.386 17.805 1.00 20.31 C ATOM 1196 C LEU A 98 7.901 -24.339 17.239 1.00 19.40 C ATOM 1197 O LEU A 98 8.566 -25.367 17.112 1.00 18.10 O ATOM 1198 CB LEU A 98 5.434 -24.147 16.714 1.00 20.17 C ATOM 1199 CG LEU A 98 5.552 -24.984 15.441 1.00 21.08 C ATOM 1200 CD1 LEU A 98 5.358 -26.447 15.791 1.00 21.94 C ATOM 1201 CD2 LEU A 98 4.514 -24.516 14.419 1.00 21.04 C ATOM 1202 HA LEU A 98 6.300 -25.376 18.219 1.00 0.00 H ATOM 1203 HB2 LEU A 98 4.457 -24.350 17.152 1.00 0.00 H ATOM 1204 HB3 LEU A 98 5.490 -23.098 16.425 1.00 0.00 H ATOM 1205 HG LEU A 98 6.540 -24.860 14.998 1.00 0.00 H ATOM 1206 HD21 LEU A 98 3.515 -24.633 14.838 1.00 0.00 H ATOM 1207 HD22 LEU A 98 4.688 -23.467 14.180 1.00 0.00 H ATOM 1208 HD23 LEU A 98 4.602 -25.116 13.513 1.00 0.00 H ATOM 1209 HD11 LEU A 98 6.123 -26.753 16.505 1.00 0.00 H ATOM 1210 HD12 LEU A 98 4.371 -26.586 16.232 1.00 0.00 H ATOM 1211 HD13 LEU A 98 5.441 -27.050 14.887 1.00 0.00 H ATOM 1212 H LEU A 98 5.765 -22.551 18.689 1.00 0.00 H ATOM 1213 N TYR A 99 8.382 -23.133 16.945 1.00 18.62 N ATOM 1214 CA TYR A 99 9.716 -22.985 16.383 1.00 19.02 C ATOM 1215 C TYR A 99 10.812 -23.300 17.382 1.00 18.74 C ATOM 1216 O TYR A 99 11.829 -23.854 16.994 1.00 18.70 O ATOM 1217 CB TYR A 99 9.917 -21.598 15.786 1.00 19.83 C ATOM 1218 CG TYR A 99 9.092 -21.377 14.544 1.00 19.94 C ATOM 1219 CD1 TYR A 99 7.971 -20.558 14.562 1.00 21.82 C ATOM 1220 CD2 TYR A 99 9.439 -21.992 13.346 1.00 20.88 C ATOM 1221 CE1 TYR A 99 7.218 -20.357 13.412 1.00 21.95 C ATOM 1222 CE2 TYR A 99 8.701 -21.798 12.208 1.00 20.96 C ATOM 1223 CZ TYR A 99 7.596 -20.981 12.243 1.00 21.94 C ATOM 1224 OH TYR A 99 6.861 -20.798 11.106 1.00 21.78 O ATOM 1225 HA TYR A 99 9.792 -23.721 15.583 1.00 0.00 H ATOM 1226 HB3 TYR A 99 10.970 -21.476 15.532 1.00 0.00 H ATOM 1227 HB2 TYR A 99 9.635 -20.853 16.530 1.00 0.00 H ATOM 1228 HD2 TYR A 99 10.314 -22.640 13.312 1.00 0.00 H ATOM 1229 HE2 TYR A 99 8.989 -22.289 11.279 1.00 0.00 H ATOM 1230 HE1 TYR A 99 6.339 -19.713 13.434 1.00 0.00 H ATOM 1231 HD1 TYR A 99 7.678 -20.067 15.490 1.00 0.00 H ATOM 1232 HH TYR A 99 7.436 -20.404 10.403 1.00 0.00 H ATOM 1233 H TYR A 99 7.799 -22.289 17.119 1.00 0.00 H ATOM 1234 N ASP A 100 10.606 -22.940 18.652 1.00 19.02 N ATOM 1235 CA ASP A 100 11.485 -23.383 19.740 1.00 19.43 C ATOM 1236 C ASP A 100 11.663 -24.898 19.725 1.00 18.11 C ATOM 1237 O ASP A 100 12.789 -25.415 19.750 1.00 17.44 O ATOM 1238 CB ASP A 100 10.886 -23.017 21.098 1.00 19.95 C ATOM 1239 CG ASP A 100 10.987 -21.556 21.418 1.00 23.14 C ATOM 1240 OD1 ASP A 100 11.599 -20.806 20.628 1.00 27.85 O ATOM 1241 OD2 ASP A 100 10.446 -21.156 22.478 1.00 27.94 O ATOM 1242 HA ASP A 100 12.444 -22.887 19.590 1.00 0.00 H ATOM 1243 HB2 ASP A 100 9.833 -23.299 21.099 1.00 0.00 H ATOM 1244 HB3 ASP A 100 11.412 -23.578 21.871 1.00 0.00 H ATOM 1245 H ASP A 100 9.797 -22.326 18.877 1.00 0.00 H ATOM 1246 N MET A 101 10.532 -25.597 19.702 1.00 16.91 N ATOM 1247 CA MET A 101 10.530 -27.048 19.742 1.00 16.73 C ATOM 1248 C MET A 101 11.262 -27.609 18.522 1.00 16.65 C ATOM 1249 O MET A 101 12.096 -28.500 18.656 1.00 16.85 O ATOM 1250 CB MET A 101 9.089 -27.564 19.831 1.00 16.49 C ATOM 1251 CG MET A 101 8.966 -29.091 19.890 1.00 16.41 C ATOM 1252 SD MET A 101 9.018 -29.855 18.254 1.00 17.05 S ATOM 1253 CE MET A 101 7.440 -29.372 17.578 1.00 16.28 C ATOM 1254 HA MET A 101 11.062 -27.391 20.630 1.00 0.00 H ATOM 1255 HB2 MET A 101 8.633 -27.150 20.730 1.00 0.00 H ATOM 1256 HB3 MET A 101 8.546 -27.211 18.954 1.00 0.00 H ATOM 1257 HG2 MET A 101 8.019 -29.347 20.366 1.00 0.00 H ATOM 1258 HG3 MET A 101 9.789 -29.485 20.486 1.00 0.00 H ATOM 1259 HE1 MET A 101 6.641 -29.762 18.209 1.00 0.00 H ATOM 1260 HE2 MET A 101 7.379 -28.284 17.543 1.00 0.00 H ATOM 1261 HE3 MET A 101 7.339 -29.776 16.571 1.00 0.00 H ATOM 1262 H MET A 101 9.625 -25.091 19.654 1.00 0.00 H ATOM 1263 N LEU A 102 10.959 -27.078 17.338 1.00 16.90 N ATOM 1264 CA LEU A 102 11.606 -27.525 16.100 1.00 17.41 C ATOM 1265 C LEU A 102 13.115 -27.306 16.093 1.00 18.30 C ATOM 1266 O LEU A 102 13.860 -28.142 15.593 1.00 18.01 O ATOM 1267 CB LEU A 102 10.992 -26.836 14.882 1.00 17.06 C ATOM 1268 CG LEU A 102 9.552 -27.179 14.498 1.00 17.78 C ATOM 1269 CD1 LEU A 102 9.156 -26.295 13.340 1.00 17.55 C ATOM 1270 CD2 LEU A 102 9.365 -28.652 14.113 1.00 18.79 C ATOM 1271 HA LEU A 102 11.431 -28.600 16.049 1.00 0.00 H ATOM 1272 HB2 LEU A 102 11.029 -25.762 15.067 1.00 0.00 H ATOM 1273 HB3 LEU A 102 11.620 -27.078 14.025 1.00 0.00 H ATOM 1274 HG LEU A 102 8.919 -27.008 15.369 1.00 0.00 H ATOM 1275 HD21 LEU A 102 9.999 -28.886 13.258 1.00 0.00 H ATOM 1276 HD22 LEU A 102 9.642 -29.285 14.956 1.00 0.00 H ATOM 1277 HD23 LEU A 102 8.322 -28.828 13.852 1.00 0.00 H ATOM 1278 HD11 LEU A 102 9.228 -25.250 13.641 1.00 0.00 H ATOM 1279 HD12 LEU A 102 9.825 -26.479 12.499 1.00 0.00 H ATOM 1280 HD13 LEU A 102 8.131 -26.520 13.046 1.00 0.00 H ATOM 1281 H LEU A 102 10.243 -26.325 17.290 1.00 0.00 H ATOM 1282 N ARG A 103 13.568 -26.181 16.648 1.00 19.32 N ATOM 1283 CA ARG A 103 15.008 -25.925 16.762 1.00 21.20 C ATOM 1284 C ARG A 103 15.702 -26.948 17.655 1.00 20.17 C ATOM 1285 O ARG A 103 16.837 -27.346 17.393 1.00 20.83 O ATOM 1286 CB ARG A 103 15.280 -24.505 17.277 1.00 21.48 C ATOM 1287 CG ARG A 103 15.226 -23.468 16.187 1.00 23.68 C ATOM 1288 CD ARG A 103 15.544 -22.071 16.716 1.00 25.41 C ATOM 1289 NE ARG A 103 14.473 -21.121 16.382 1.00 29.88 N ATOM 1290 CZ ARG A 103 13.651 -20.551 17.262 1.00 30.92 C ATOM 1291 NH1 ARG A 103 13.766 -20.784 18.567 1.00 32.83 N ATOM 1292 NH2 ARG A 103 12.719 -19.712 16.838 1.00 32.03 N ATOM 1293 HA ARG A 103 15.423 -26.020 15.759 1.00 0.00 H ATOM 1294 HB2 ARG A 103 14.532 -24.258 18.030 1.00 0.00 H ATOM 1295 HB3 ARG A 103 16.271 -24.483 17.730 1.00 0.00 H ATOM 1296 HG2 ARG A 103 15.952 -23.727 15.417 1.00 0.00 H ATOM 1297 HG3 ARG A 103 14.226 -23.462 15.754 1.00 0.00 H ATOM 1298 HD2 ARG A 103 16.478 -21.726 16.272 1.00 0.00 H ATOM 1299 HD3 ARG A 103 15.654 -22.117 17.799 1.00 0.00 H ATOM 1300 HE ARG A 103 14.347 -20.874 15.380 1.00 0.00 H ATOM 1301 HH12 ARG A 103 13.113 -20.328 19.236 1.00 0.00 H ATOM 1302 HH11 ARG A 103 14.509 -21.422 18.918 1.00 0.00 H ATOM 1303 HH22 ARG A 103 12.074 -19.264 17.520 1.00 0.00 H ATOM 1304 HH21 ARG A 103 12.632 -19.501 15.823 1.00 0.00 H ATOM 1305 H ARG A 103 12.892 -25.476 17.005 1.00 0.00 H ATOM 1306 N LYS A 104 14.997 -27.387 18.688 1.00 19.81 N ATOM 1307 CA LYS A 104 15.504 -28.379 19.621 1.00 19.73 C ATOM 1308 C LYS A 104 15.391 -29.828 19.135 1.00 18.48 C ATOM 1309 O LYS A 104 16.138 -30.684 19.591 1.00 18.84 O ATOM 1310 CB LYS A 104 14.779 -28.236 20.970 1.00 20.41 C ATOM 1311 CG LYS A 104 15.018 -26.898 21.679 1.00 20.60 C ATOM 1312 CD LYS A 104 14.079 -26.719 22.874 1.00 21.54 C ATOM 1313 CE LYS A 104 14.321 -25.382 23.601 1.00 24.21 C ATOM 1314 HA LYS A 104 16.570 -28.176 19.719 1.00 0.00 H ATOM 1315 HB2 LYS A 104 13.708 -28.343 20.795 1.00 0.00 H ATOM 1316 HB3 LYS A 104 15.120 -29.036 21.627 1.00 0.00 H ATOM 1317 HG2 LYS A 104 16.049 -26.863 22.030 1.00 0.00 H ATOM 1318 HG3 LYS A 104 14.849 -26.087 20.971 1.00 0.00 H ATOM 1319 HD2 LYS A 104 13.049 -26.746 22.520 1.00 0.00 H ATOM 1320 HD3 LYS A 104 14.242 -27.537 23.576 1.00 0.00 H ATOM 1321 HE2 LYS A 104 15.348 -25.349 23.965 1.00 0.00 H ATOM 1322 HE3 LYS A 104 14.153 -24.558 22.908 1.00 0.00 H ATOM 1323 H LYS A 104 14.041 -27.006 18.837 1.00 0.00 H ATOM 1324 N ASN A 105 14.474 -30.104 18.210 1.00 17.52 N ATOM 1325 CA ASN A 105 14.129 -31.484 17.832 1.00 16.58 C ATOM 1326 C ASN A 105 14.415 -31.864 16.362 1.00 16.10 C ATOM 1327 O ASN A 105 14.088 -32.969 15.910 1.00 13.80 O ATOM 1328 CB ASN A 105 12.660 -31.718 18.191 1.00 16.89 C ATOM 1329 CG ASN A 105 12.453 -31.884 19.686 1.00 18.17 C ATOM 1330 OD1 ASN A 105 12.706 -32.952 20.232 1.00 19.81 O ATOM 1331 ND2 ASN A 105 12.018 -30.817 20.362 1.00 17.56 N ATOM 1332 HA ASN A 105 14.790 -32.143 18.395 1.00 0.00 H ATOM 1333 HB2 ASN A 105 12.075 -30.865 17.848 1.00 0.00 H ATOM 1334 HB3 ASN A 105 12.315 -32.620 17.686 1.00 0.00 H ATOM 1335 HD22 ASN A 105 11.815 -29.930 19.859 1.00 0.00 H ATOM 1336 HD21 ASN A 105 11.882 -30.874 21.392 1.00 0.00 H ATOM 1337 H ASN A 105 13.984 -29.317 17.738 1.00 0.00 H ATOM 1338 N LEU A 106 15.023 -30.941 15.628 1.00 15.63 N ATOM 1339 CA LEU A 106 15.480 -31.182 14.270 1.00 16.29 C ATOM 1340 C LEU A 106 16.987 -31.020 14.300 1.00 17.49 C ATOM 1341 O LEU A 106 17.492 -29.966 14.709 1.00 18.85 O ATOM 1342 CB LEU A 106 14.877 -30.163 13.294 1.00 15.48 C ATOM 1343 CG LEU A 106 13.370 -30.220 13.033 1.00 14.33 C ATOM 1344 CD1 LEU A 106 12.986 -29.152 12.013 1.00 11.69 C ATOM 1345 CD2 LEU A 106 12.951 -31.606 12.510 1.00 11.18 C ATOM 1346 HA LEU A 106 15.177 -32.173 13.933 1.00 0.00 H ATOM 1347 HB2 LEU A 106 15.101 -29.170 13.683 1.00 0.00 H ATOM 1348 HB3 LEU A 106 15.377 -30.298 12.335 1.00 0.00 H ATOM 1349 HG LEU A 106 12.852 -30.037 13.974 1.00 0.00 H ATOM 1350 HD21 LEU A 106 13.475 -31.815 11.578 1.00 0.00 H ATOM 1351 HD22 LEU A 106 13.207 -32.365 13.250 1.00 0.00 H ATOM 1352 HD23 LEU A 106 11.875 -31.616 12.334 1.00 0.00 H ATOM 1353 HD11 LEU A 106 13.250 -28.168 12.402 1.00 0.00 H ATOM 1354 HD12 LEU A 106 13.522 -29.332 11.081 1.00 0.00 H ATOM 1355 HD13 LEU A 106 11.912 -29.196 11.830 1.00 0.00 H ATOM 1356 H LEU A 106 15.180 -30.001 16.044 1.00 0.00 H ATOM 1357 N VAL A 107 17.706 -32.069 13.927 1.00 17.77 N ATOM 1358 CA VAL A 107 19.155 -32.013 13.873 1.00 19.04 C ATOM 1359 C VAL A 107 19.573 -31.708 12.446 1.00 21.15 C ATOM 1360 O VAL A 107 19.158 -32.389 11.517 1.00 19.32 O ATOM 1361 CB VAL A 107 19.778 -33.328 14.315 1.00 19.38 C ATOM 1362 CG1 VAL A 107 21.296 -33.295 14.091 1.00 19.45 C ATOM 1363 CG2 VAL A 107 19.427 -33.603 15.793 1.00 18.65 C ATOM 1364 HA VAL A 107 19.503 -31.234 14.552 1.00 0.00 H ATOM 1365 HB VAL A 107 19.373 -34.143 13.715 1.00 0.00 H ATOM 1366 HG11 VAL A 107 21.502 -33.139 13.032 1.00 0.00 H ATOM 1367 HG12 VAL A 107 21.730 -32.480 14.671 1.00 0.00 H ATOM 1368 HG13 VAL A 107 21.730 -34.242 14.411 1.00 0.00 H ATOM 1369 HG21 VAL A 107 19.813 -32.794 16.413 1.00 0.00 H ATOM 1370 HG22 VAL A 107 18.344 -33.662 15.903 1.00 0.00 H ATOM 1371 HG23 VAL A 107 19.877 -34.546 16.102 1.00 0.00 H ATOM 1372 H VAL A 107 17.221 -32.952 13.667 1.00 0.00 H ATOM 1373 N THR A 108 20.396 -30.687 12.257 1.00 24.21 N ATOM 1374 CA THR A 108 20.770 -30.335 10.893 1.00 26.72 C ATOM 1375 C THR A 108 21.658 -31.433 10.317 1.00 27.84 C ATOM 1376 O THR A 108 22.390 -32.124 11.032 1.00 28.69 O ATOM 1377 CB THR A 108 21.393 -28.919 10.753 1.00 27.25 C ATOM 1378 OG1 THR A 108 22.516 -28.774 11.628 1.00 28.55 O ATOM 1379 CG2 THR A 108 20.352 -27.839 11.062 1.00 28.33 C ATOM 1380 HA THR A 108 19.855 -30.272 10.304 1.00 0.00 H ATOM 1381 HB THR A 108 21.730 -28.799 9.723 1.00 0.00 H ATOM 1382 HG1 THR A 108 22.899 -27.867 11.524 1.00 0.00 H ATOM 1383 HG23 THR A 108 19.500 -27.955 10.392 1.00 0.00 H ATOM 1384 HG21 THR A 108 20.020 -27.941 12.095 1.00 0.00 H ATOM 1385 HG22 THR A 108 20.798 -26.855 10.918 1.00 0.00 H ATOM 1386 H THR A 108 20.767 -30.148 13.065 1.00 0.00 H ATOM 1387 N LEU A 109 21.446 -31.683 9.030 1.00 29.18 N ATOM 1388 CA LEU A 109 22.414 -32.323 8.198 1.00 29.64 C ATOM 1389 C LEU A 109 23.062 -31.109 7.544 1.00 30.60 C ATOM 1390 O LEU A 109 22.367 -30.109 7.281 1.00 31.23 O ATOM 1391 CB LEU A 109 21.759 -33.211 7.123 1.00 29.45 C ATOM 1392 CG LEU A 109 20.423 -33.910 7.382 1.00 28.31 C ATOM 1393 CD1 LEU A 109 19.801 -34.300 6.051 1.00 28.36 C ATOM 1394 CD2 LEU A 109 20.571 -35.127 8.291 1.00 28.56 C ATOM 1395 HA LEU A 109 23.088 -32.987 8.739 1.00 0.00 H ATOM 1396 HB2 LEU A 109 21.613 -32.580 6.246 1.00 0.00 H ATOM 1397 HB3 LEU A 109 22.479 -33.995 6.889 1.00 0.00 H ATOM 1398 HG LEU A 109 19.769 -33.214 7.906 1.00 0.00 H ATOM 1399 HD21 LEU A 109 21.244 -35.847 7.825 1.00 0.00 H ATOM 1400 HD22 LEU A 109 20.980 -34.814 9.252 1.00 0.00 H ATOM 1401 HD23 LEU A 109 19.594 -35.586 8.443 1.00 0.00 H ATOM 1402 HD11 LEU A 109 19.637 -33.404 5.452 1.00 0.00 H ATOM 1403 HD12 LEU A 109 20.473 -34.975 5.521 1.00 0.00 H ATOM 1404 HD13 LEU A 109 18.848 -34.799 6.229 1.00 0.00 H ATOM 1405 H LEU A 109 20.537 -31.401 8.611 1.00 0.00 H TER 1406 LEU A 109 HETATM 1407 O HOH 1 12.107 -38.712 3.663 1.00 14.37 O HETATM 1408 O HOH 2 7.062 -38.654 3.116 1.00 22.63 O HETATM 1409 O HOH 3 -0.423 -29.642 6.301 1.00 29.19 O HETATM 1410 O HOH 4 -12.937 -30.665 12.517 1.00 34.72 O HETATM 1411 O HOH 5 21.387 -35.606 -1.238 1.00 27.00 O HETATM 1412 O HOH 6 9.108 -44.644 7.177 1.00 26.55 O HETATM 1413 O HOH 7 1.394 -19.835 21.040 1.00 25.44 O HETATM 1414 O HOH 8 19.634 -35.832 1.502 1.00 15.50 O HETATM 1415 O HOH 9 -9.344 -30.090 20.386 1.00 40.50 O HETATM 1416 O HOH 10 11.230 -30.630 23.083 1.00 22.18 O HETATM 1417 O HOH 11 15.403 -41.927 5.318 1.00 22.85 O HETATM 1418 O HOH 12 6.961 -24.524 28.441 1.00 52.50 O HETATM 1419 O HOH 13 8.593 -24.699 22.701 1.00 29.38 O HETATM 1420 O HOH 14 0.356 -35.762 2.974 1.00 30.91 O HETATM 1421 O HOH 15 3.131 -26.436 5.677 1.00 32.51 O HETATM 1422 O HOH 16 0.518 -38.954 21.474 1.00 29.00 O HETATM 1423 O HOH 17 9.317 -17.216 16.807 1.00 46.65 O HETATM 1424 O HOH 18 10.629 -46.003 21.069 1.00 25.30 O HETATM 1425 O HOH 19 7.215 -32.084 28.129 1.00 23.93 O HETATM 1426 O HOH 20 -0.165 -19.531 22.986 1.00 30.41 O HETATM 1427 O HOH 21 4.774 -16.791 22.830 1.00 50.90 O HETATM 1428 O HOH 22 4.161 -42.677 7.628 1.00 35.70 O HETATM 1429 O HOH 23 -11.843 -20.454 14.241 1.00 39.37 O HETATM 1430 O HOH 24 25.494 -32.187 5.035 1.00 45.27 O HETATM 1431 O HOH 25 -9.156 -38.473 11.794 1.00 41.41 O HETATM 1432 O HOH 26 -9.572 -31.937 10.707 1.00 34.34 O HETATM 1433 O HOH 27 18.856 -29.411 17.218 1.00 33.90 O HETATM 1434 O HOH 28 20.031 -30.972 18.940 1.00 43.60 O HETATM 1435 O HOH 29 25.027 -34.792 8.793 1.00 30.20 O HETATM 1436 O HOH 30 26.669 -33.905 6.775 1.00 30.85 O HETATM 1437 O HOH 31 -12.987 -33.840 17.246 1.00 36.00 O HETATM 1438 O HOH 32 10.416 -27.256 23.165 1.00 48.41 O HETATM 1439 O HOH 33 16.182 -40.235 11.391 1.00 31.14 O HETATM 1440 O HOH 34 10.856 -29.308 0.275 1.00 17.18 O HETATM 1441 O HOH 35 26.305 -34.359 1.356 1.00 30.83 O HETATM 1442 O HOH 36 15.161 -23.727 3.498 1.00 34.03 O HETATM 1443 O HOH 37 -2.189 -16.077 19.269 1.00 29.96 O HETATM 1444 O HOH 38 21.488 -29.956 3.487 1.00 21.68 O HETATM 1445 O HOH 39 19.243 -25.711 4.653 1.00 31.20 O HETATM 1446 O HOH 40 14.537 -39.950 4.176 1.00 31.66 O HETATM 1447 O HOH 41 9.591 -38.134 2.426 1.00 36.53 O HETATM 1448 O HOH 42 1.521 -13.232 17.970 1.00 48.23 O HETATM 1449 O HOH 43 2.359 -40.161 18.165 1.00 45.10 O HETATM 1450 O HOH 44 5.315 -26.943 4.384 1.00 32.56 O HETATM 1451 O HOH 45 -1.750 -42.485 11.854 1.00 36.15 O HETATM 1452 O HOH 46 -0.310 -40.587 17.024 1.00 33.22 O HETATM 1453 O HOH 47 -11.152 -30.646 17.194 1.00 48.44 O HETATM 1454 O HOH 48 5.245 -16.021 17.627 1.00 40.62 O HETATM 1455 O HOH 49 15.798 -23.017 20.710 1.00 65.60 O HETATM 1456 O HOH 50 0.841 -27.676 4.624 1.00 38.72 O HETATM 1457 O HOH 51 -10.709 -27.495 9.711 1.00 45.79 O HETATM 1458 O HOH 52 8.177 -45.210 23.530 1.00 37.92 O HETATM 1459 O HOH 53 -9.114 -35.076 19.448 1.00 44.88 O HETATM 1460 O HOH 54 9.018 -22.474 24.206 1.00 44.35 O HETATM 1461 O HOH 55 -13.956 -23.406 21.836 1.00 45.37 O HETATM 1462 O HOH 56 -2.180 -30.082 33.960 1.00 48.79 O HETATM 1463 O HOH 57 1.258 -36.402 0.647 1.00 51.84 O HETATM 1464 O HOH 58 -1.865 -26.373 33.769 1.00 53.70 O HETATM 1465 O HOH 59 21.498 -39.106 2.966 1.00 46.34 O HETATM 1466 O HOH 60 8.468 -19.484 22.756 1.00 54.48 O HETATM 1467 O HOH 61 -2.086 -40.838 8.606 1.00 49.20 O HETATM 1468 O HOH 62 6.243 -26.542 30.765 1.00 51.50 O HETATM 1469 O HOH 63 -1.737 -13.561 19.332 1.00 47.68 O HETATM 1470 O HOH 64 -6.944 -32.358 22.119 1.00 41.45 O HETATM 1471 O HOH 65 4.159 -44.988 6.538 1.00 40.18 O HETATM 1472 O HOH 66 -12.783 -28.684 19.778 1.00 40.36 O HETATM 1473 O HOH 67 -4.149 -36.621 21.385 1.00 39.78 O HETATM 1474 O HOH 68 19.069 -42.637 7.961 1.00 30.39 O HETATM 1475 O HOH 69 -2.535 -28.719 7.236 1.00 40.64 O HETATM 1476 O HOH 70 -8.265 -34.106 8.374 1.00 33.90 O HETATM 1477 O HOH 71 6.348 -44.115 7.756 1.00 41.44 O HETATM 1478 O HOH 72 28.781 -30.463 0.647 1.00 48.47 O HETATM 1479 O HOH 73 1.388 -17.168 12.033 1.00 40.24 O HETATM 1480 O HOH 74 -8.452 -38.200 16.550 1.00 47.33 O HETATM 1481 O HOH 75 18.048 -22.084 19.311 1.00 50.46 O HETATM 1482 O HOH 76 0.242 -23.825 27.883 1.00 44.70 O HETATM 1483 O HOH 77 23.287 -38.021 5.752 1.00 50.00 O HETATM 1484 O HOH 78 23.334 -37.557 8.139 1.00 34.14 O HETATM 1485 O HOH 79 18.826 -38.904 1.975 1.00 71.48 O HETATM 1486 O HOH 80 19.181 -27.670 14.042 1.00 75.96 O HETATM 1487 O HOH 81 -5.583 -40.353 13.601 1.00 58.56 O HETATM 1488 O HOH 82 22.129 -36.443 11.960 1.00 31.88 O HETATM 1489 O HOH 83 24.535 -36.573 -0.076 1.00 34.21 O HETATM 1490 O HOH 84 23.402 -37.073 -2.656 1.00 33.88 O HETATM 1491 O HOH 85 12.504 -26.659 3.105 1.00 17.72 O HETATM 1492 O HOH 86 11.879 -26.655 0.455 1.00 17.39 O HETATM 1493 O HOH 87 -0.716 -18.110 10.556 1.00 33.35 O HETATM 1494 O HOH 88 3.483 -24.276 7.222 1.00 35.83 O HETATM 1495 O HOH 89 14.444 -23.680 5.964 1.00 43.11 O HETATM 1496 O HOH 90 -10.422 -17.970 6.392 1.00 60.22 O HETATM 1497 O HOH 91 -8.446 -27.215 8.304 1.00 44.09 O HETATM 1498 O HOH 92 11.492 -18.848 10.535 1.00 43.48 O HETATM 1499 O HOH 93 10.295 -17.568 12.352 1.00 41.17 O HETATM 1500 O HOH 94 6.827 -23.548 5.297 1.00 49.68 O HETATM 1501 O HOH 95 -10.992 -22.664 3.506 1.00 52.38 O HETATM 1502 O HOH 96 -3.351 -19.977 3.509 1.00 40.85 O HETATM 1503 O HOH 97 -6.142 -24.789 3.689 1.00 46.52 O HETATM 1504 O HOH 98 -9.579 -18.411 14.770 1.00 40.14 O HETATM 1505 O HOH 99 -6.099 -16.861 7.003 1.00 58.05 O HETATM 1506 N GLU A 100 -11.266 -18.348 11.428 1.00 0.24 N HETATM 1507 CA GLU A 100 -10.463 -19.026 10.360 1.00 0.07 C HETATM 1508 CB GLU A 100 -9.560 -18.080 9.520 1.00 0.02 C HETATM 1509 CG GLU A 100 -8.232 -17.525 10.139 1.00 0.01 C HETATM 1510 CD GLU A 100 -8.381 -16.739 11.458 1.00 0.04 C HETATM 1511 OE2 GLU A 100 -9.379 -16.908 12.186 1.00 -0.57 O HETATM 1512 OE1 GLU A 100 -7.467 -15.942 11.774 1.00 -0.57 O HETATM 1513 H7 GLU A 100 -7.769 -16.856 9.399 1.00 0.04 H HETATM 1514 H8 GLU A 100 -7.566 -18.379 10.329 1.00 0.04 H HETATM 1515 H5 GLU A 100 -10.175 -17.209 9.249 1.00 0.04 H HETATM 1516 H6 GLU A 100 -9.282 -18.630 8.609 1.00 0.04 H HETATM 1517 C GLU A 100 -10.307 -20.570 10.261 1.00 0.23 C HETATM 1518 O GLU A 100 -10.844 -21.284 11.109 1.00 -0.39 O HETATM 1519 N GLU A 100 -9.621 -21.076 9.234 1.00 -0.26 N HETATM 1520 CA GLU A 100 -9.442 -22.523 9.016 1.00 0.16 C HETATM 1521 CB GLU A 100 -9.660 -22.894 7.535 1.00 0.09 C HETATM 1522 CG2 GLU A 100 -9.457 -24.386 7.304 1.00 -0.03 C HETATM 1523 H13 GLU A 100 -9.619 -24.618 6.241 1.00 0.03 H HETATM 1524 H14 GLU A 100 -10.174 -24.953 7.916 1.00 0.03 H HETATM 1525 H15 GLU A 100 -8.431 -24.665 7.588 1.00 0.03 H HETATM 1526 OG1 GLU A 100 -10.991 -22.527 7.134 1.00 -0.39 O HETATM 1527 H12 GLU A 100 -11.119 -21.597 7.278 1.00 0.21 H HETATM 1528 H11 GLU A 100 -8.934 -22.339 6.922 1.00 0.06 H HETATM 1529 C GLU A 100 -8.028 -22.962 9.397 1.00 0.21 C HETATM 1530 O GLU A 100 -7.055 -22.354 8.958 1.00 -0.39 O HETATM 1531 N GLU A 100 -7.907 -24.017 10.200 1.00 -0.26 N HETATM 1532 CA GLU A 100 -6.584 -24.457 10.653 1.00 0.14 C HETATM 1533 CB GLU A 100 -6.625 -25.803 11.386 1.00 0.02 C HETATM 1534 CG GLU A 100 -5.256 -26.333 11.698 1.00 -0.04 C HETATM 1535 CD1 GLU A 100 -4.532 -25.830 12.766 1.00 -0.06 C HETATM 1536 CE1 GLU A 100 -3.248 -26.292 13.032 1.00 -0.07 C HETATM 1537 CZ GLU A 100 -2.675 -27.242 12.219 1.00 -0.07 C HETATM 1538 CE2 GLU A 100 -3.368 -27.734 11.138 1.00 -0.07 C HETATM 1539 CD2 GLU A 100 -4.653 -27.278 10.872 1.00 -0.06 C HETATM 1540 H21 GLU A 100 -5.191 -27.662 10.013 1.00 0.06 H HETATM 1541 H23 GLU A 100 -2.912 -28.477 10.494 1.00 0.06 H HETATM 1542 H24 GLU A 100 -1.675 -27.604 12.431 1.00 0.06 H HETATM 1543 H22 GLU A 100 -2.698 -25.903 13.881 1.00 0.06 H HETATM 1544 H20 GLU A 100 -4.971 -25.069 13.401 1.00 0.06 H HETATM 1545 H18 GLU A 100 -7.149 -26.533 10.752 1.00 0.05 H HETATM 1546 H19 GLU A 100 -7.176 -25.674 12.329 1.00 0.05 H HETATM 1547 C GLU A 100 -5.571 -24.559 9.510 1.00 0.21 C HETATM 1548 O GLU A 100 -4.482 -23.999 9.598 1.00 -0.39 O HETATM 1549 N GLU A 100 -5.927 -25.284 8.453 1.00 -0.26 N HETATM 1550 CA GLU A 100 -5.001 -25.524 7.347 1.00 0.15 C HETATM 1551 CB GLU A 100 -5.596 -26.478 6.315 1.00 0.08 C HETATM 1552 OG GLU A 100 -6.814 -25.966 5.818 1.00 -0.39 O HETATM 1553 H29 GLU A 100 -6.658 -25.123 5.408 1.00 0.21 H HETATM 1554 H27 GLU A 100 -5.779 -27.455 6.787 1.00 0.06 H HETATM 1555 H28 GLU A 100 -4.887 -26.600 5.483 1.00 0.06 H HETATM 1556 C GLU A 100 -4.586 -24.224 6.686 1.00 0.21 C HETATM 1557 O GLU A 100 -3.418 -24.050 6.350 1.00 -0.39 O HETATM 1558 N GLU A 100 -5.532 -23.299 6.536 1.00 -0.26 N HETATM 1559 CA GLU A 100 -5.226 -21.981 5.988 1.00 0.14 C HETATM 1560 CB GLU A 100 -6.507 -21.178 5.752 1.00 0.04 C HETATM 1561 CG GLU A 100 -7.291 -21.680 4.559 1.00 0.04 C HETATM 1562 OD1 GLU A 100 -6.694 -21.836 3.474 1.00 -0.57 O HETATM 1563 OD2 GLU A 100 -8.506 -21.915 4.705 1.00 -0.57 O HETATM 1564 H32 GLU A 100 -6.237 -20.125 5.580 1.00 0.05 H HETATM 1565 H33 GLU A 100 -7.141 -21.253 6.648 1.00 0.05 H HETATM 1566 C GLU A 100 -4.254 -21.184 6.855 1.00 0.21 C HETATM 1567 O GLU A 100 -3.364 -20.543 6.320 1.00 -0.39 O HETATM 1568 N GLU A 100 -4.410 -21.232 8.177 1.00 -0.26 N HETATM 1569 CA GLU A 100 -3.457 -20.579 9.088 1.00 0.13 C HETATM 1570 CB GLU A 100 -3.988 -20.566 10.532 1.00 -0.01 C HETATM 1571 CG GLU A 100 -5.126 -19.576 10.852 1.00 -0.04 C HETATM 1572 CD1 GLU A 100 -5.705 -19.825 12.239 1.00 -0.06 C HETATM 1573 H39 GLU A 100 -6.512 -19.104 12.434 1.00 0.02 H HETATM 1574 H40 GLU A 100 -4.914 -19.704 12.994 1.00 0.02 H HETATM 1575 H41 GLU A 100 -6.107 -20.848 12.290 1.00 0.02 H HETATM 1576 CD2 GLU A 100 -4.687 -18.119 10.727 1.00 -0.06 C HETATM 1577 H42 GLU A 100 -4.270 -17.946 9.724 1.00 0.02 H HETATM 1578 H43 GLU A 100 -3.920 -17.901 11.485 1.00 0.02 H HETATM 1579 H44 GLU A 100 -5.554 -17.460 10.882 1.00 0.02 H HETATM 1580 H38 GLU A 100 -5.926 -19.747 10.117 1.00 0.03 H HETATM 1581 H36 GLU A 100 -3.143 -20.325 11.194 1.00 0.03 H HETATM 1582 H37 GLU A 100 -4.355 -21.578 10.759 1.00 0.03 H HETATM 1583 C GLU A 100 -2.089 -21.272 9.041 1.00 0.20 C HETATM 1584 O GLU A 100 -1.031 -20.622 9.010 1.00 -0.39 O HETATM 1585 N GLU A 100 -2.120 -22.598 9.041 1.00 -0.26 N HETATM 1586 CA GLU A 100 -0.892 -23.384 9.069 1.00 0.14 C HETATM 1587 CB GLU A 100 -1.216 -24.875 9.209 1.00 0.00 C HETATM 1588 CG GLU A 100 0.005 -25.669 9.495 1.00 -0.04 C HETATM 1589 CD1 GLU A 100 0.781 -26.335 8.592 1.00 0.02 C HETATM 1590 NE1 GLU A 100 1.837 -26.927 9.228 1.00 -0.29 N HETATM 1591 CE2 GLU A 100 1.763 -26.660 10.568 1.00 0.06 C HETATM 1592 CD2 GLU A 100 0.623 -25.848 10.770 1.00 -0.02 C HETATM 1593 CE3 GLU A 100 0.309 -25.429 12.069 1.00 -0.07 C HETATM 1594 CZ3 GLU A 100 1.140 -25.820 13.112 1.00 -0.08 C HETATM 1595 CH2 GLU A 100 2.279 -26.614 12.873 1.00 -0.08 C HETATM 1596 CZ2 GLU A 100 2.604 -27.044 11.614 1.00 -0.04 C HETATM 1597 H52 GLU A 100 3.479 -27.658 11.437 1.00 0.05 H HETATM 1598 H54 GLU A 100 2.914 -26.892 13.707 1.00 0.05 H HETATM 1599 H53 GLU A 100 0.908 -25.509 14.124 1.00 0.05 H HETATM 1600 H51 GLU A 100 -0.563 -24.813 12.257 1.00 0.05 H HETATM 1601 H50 GLU A 100 2.572 -27.485 8.771 1.00 0.22 H HETATM 1602 H49 GLU A 100 0.588 -26.387 7.522 1.00 0.08 H HETATM 1603 H47 GLU A 100 -1.665 -25.234 8.271 1.00 0.04 H HETATM 1604 H48 GLU A 100 -1.932 -25.010 10.033 1.00 0.04 H HETATM 1605 C GLU A 100 -0.033 -23.129 7.831 1.00 0.21 C HETATM 1606 O GLU A 100 1.188 -22.985 7.925 1.00 -0.39 O HETATM 1607 N GLU A 100 -0.684 -23.032 6.678 1.00 -0.26 N HETATM 1608 CA GLU A 100 0.007 -22.776 5.412 1.00 0.13 C HETATM 1609 CB GLU A 100 -0.989 -22.856 4.257 1.00 -0.01 C HETATM 1610 CG GLU A 100 -1.403 -24.288 3.938 1.00 -0.05 C HETATM 1611 CD GLU A 100 -2.590 -24.353 2.983 1.00 -0.07 C HETATM 1612 H61 GLU A 100 -2.846 -25.405 2.787 1.00 0.02 H HETATM 1613 H62 GLU A 100 -2.327 -23.858 2.037 1.00 0.02 H HETATM 1614 H63 GLU A 100 -3.453 -23.844 3.436 1.00 0.02 H HETATM 1615 H59 GLU A 100 -1.677 -24.794 4.876 1.00 0.03 H HETATM 1616 H60 GLU A 100 -0.550 -24.808 3.477 1.00 0.03 H HETATM 1617 H57 GLU A 100 -0.526 -22.415 3.362 1.00 0.03 H HETATM 1618 H58 GLU A 100 -1.887 -22.281 4.526 1.00 0.03 H HETATM 1619 C GLU A 100 0.771 -21.454 5.378 1.00 0.20 C HETATM 1620 O GLU A 100 1.775 -21.334 4.661 1.00 -0.39 O HETATM 1621 N GLU A 100 0.326 -20.486 6.179 1.00 -0.26 N HETATM 1622 CA GLU A 100 0.972 -19.178 6.278 1.00 0.13 C HETATM 1623 CB GLU A 100 0.016 -18.169 6.932 1.00 -0.01 C HETATM 1624 CG GLU A 100 -1.312 -17.899 6.217 1.00 -0.04 C HETATM 1625 CD1 GLU A 100 -2.311 -17.182 7.141 1.00 -0.06 C HETATM 1626 H69 GLU A 100 -3.251 -17.004 6.597 1.00 0.02 H HETATM 1627 H70 GLU A 100 -1.887 -16.220 7.464 1.00 0.02 H HETATM 1628 H71 GLU A 100 -2.510 -17.809 8.023 1.00 0.02 H HETATM 1629 CD2 GLU A 100 -1.081 -17.101 4.945 1.00 -0.06 C HETATM 1630 H72 GLU A 100 -0.364 -17.634 4.303 1.00 0.02 H HETATM 1631 H73 GLU A 100 -0.677 -16.111 5.202 1.00 0.02 H HETATM 1632 H74 GLU A 100 -2.034 -16.981 4.409 1.00 0.02 H HETATM 1633 H68 GLU A 100 -1.748 -18.869 5.936 1.00 0.03 H HETATM 1634 H66 GLU A 100 0.550 -17.211 7.012 1.00 0.03 H HETATM 1635 H67 GLU A 100 -0.220 -18.542 7.939 1.00 0.03 H HETATM 1636 C GLU A 100 2.292 -19.197 7.065 1.00 0.20 C HETATM 1637 O GLU A 100 3.065 -18.245 6.977 1.00 -0.39 O HETATM 1638 N GLU A 100 2.550 -20.262 7.831 1.00 -0.26 N HETATM 1639 CA GLU A 100 3.774 -20.353 8.644 1.00 0.13 C HETATM 1640 CB GLU A 100 3.734 -21.575 9.582 1.00 -0.01 C HETATM 1641 CG GLU A 100 2.731 -21.561 10.736 1.00 -0.04 C HETATM 1642 CD1 GLU A 100 2.811 -22.868 11.509 1.00 -0.06 C HETATM 1643 H80 GLU A 100 2.087 -22.849 12.337 1.00 0.02 H HETATM 1644 H81 GLU A 100 3.826 -22.994 11.913 1.00 0.02 H HETATM 1645 H82 GLU A 100 2.578 -23.707 10.836 1.00 0.02 H HETATM 1646 CD2 GLU A 100 2.944 -20.383 11.671 1.00 -0.06 C HETATM 1647 H83 GLU A 100 2.884 -19.445 11.099 1.00 0.02 H HETATM 1648 H84 GLU A 100 3.935 -20.462 12.141 1.00 0.02 H HETATM 1649 H85 GLU A 100 2.167 -20.388 12.450 1.00 0.02 H HETATM 1650 H79 GLU A 100 1.722 -21.474 10.307 1.00 0.03 H HETATM 1651 H77 GLU A 100 4.737 -21.683 10.021 1.00 0.03 H HETATM 1652 H78 GLU A 100 3.508 -22.456 8.963 1.00 0.03 H HETATM 1653 C GLU A 100 5.065 -20.402 7.807 1.00 0.21 C HETATM 1654 O GLU A 100 5.187 -21.208 6.880 1.00 -0.39 O HETATM 1655 N GLU A 100 6.043 -19.546 8.145 1.00 -0.25 N HETATM 1656 CA GLU A 100 7.328 -19.618 7.466 1.00 0.13 C HETATM 1657 C GLU A 100 8.165 -20.830 7.893 1.00 0.20 C HETATM 1658 O GLU A 100 7.849 -21.490 8.897 1.00 -0.39 O HETATM 1659 N GLU A 100 9.210 -21.120 7.120 1.00 -0.26 N HETATM 1660 CA GLU A 100 10.234 -22.079 7.533 1.00 0.14 C HETATM 1661 CB GLU A 100 11.020 -22.612 6.331 1.00 0.00 C HETATM 1662 CG GLU A 100 10.260 -23.619 5.491 1.00 0.00 C HETATM 1663 CD GLU A 100 11.064 -24.126 4.305 1.00 0.04 C HETATM 1664 OE2 GLU A 100 12.295 -24.300 4.426 1.00 -0.57 O HETATM 1665 OE1 GLU A 100 10.459 -24.355 3.241 1.00 -0.57 O HETATM 1666 H97 GLU A 100 9.343 -23.142 5.115 1.00 0.04 H HETATM 1667 H98 GLU A 100 9.993 -24.476 6.127 1.00 0.04 H HETATM 1668 H95 GLU A 100 11.936 -23.094 6.704 1.00 0.03 H HETATM 1669 H96 GLU A 100 11.289 -21.760 5.689 1.00 0.03 H HETATM 1670 C GLU A 100 11.183 -21.385 8.500 1.00 0.26 C HETATM 1671 O GLU A 100 11.498 -21.919 9.562 1.00 -0.37 O HETATM 1672 O1 GLU A 100 11.677 -20.189 8.193 1.00 -0.29 O HETATM 1673 H99 GLU A 100 11.416 -19.560 8.856 1.00 0.25 H HETATM 1674 H94 GLU A 100 9.749 -22.925 8.042 1.00 0.08 H HETATM 1675 H93 GLU A 100 9.297 -20.669 6.232 1.00 0.19 H HETATM 1676 CB GLU A 100 8.010 -18.322 7.902 1.00 -0.01 C HETATM 1677 CG GLU A 100 7.443 -18.044 9.243 1.00 -0.03 C HETATM 1678 CD GLU A 100 6.013 -18.466 9.151 1.00 0.04 C HETATM 1679 H91 GLU A 100 5.649 -18.839 10.120 1.00 0.05 H HETATM 1680 H92 GLU A 100 5.377 -17.633 8.817 1.00 0.05 H HETATM 1681 H89 GLU A 100 7.969 -18.626 10.014 1.00 0.03 H HETATM 1682 H90 GLU A 100 7.516 -16.972 9.479 1.00 0.03 H HETATM 1683 H87 GLU A 100 7.777 -17.505 7.203 1.00 0.03 H HETATM 1684 H88 GLU A 100 9.100 -18.456 7.960 1.00 0.03 H HETATM 1685 H86 GLU A 100 7.188 -19.645 6.375 1.00 0.08 H HETATM 1686 H76 GLU A 100 3.817 -19.448 9.267 1.00 0.08 H HETATM 1687 H75 GLU A 100 1.894 -21.017 7.852 1.00 0.19 H HETATM 1688 H65 GLU A 100 1.194 -18.838 5.256 1.00 0.08 H HETATM 1689 H64 GLU A 100 -0.485 -20.662 6.737 1.00 0.19 H HETATM 1690 H56 GLU A 100 0.747 -23.579 5.276 1.00 0.08 H HETATM 1691 H55 GLU A 100 -1.679 -23.137 6.674 1.00 0.19 H HETATM 1692 H46 GLU A 100 -0.312 -23.076 9.951 1.00 0.08 H HETATM 1693 H45 GLU A 100 -3.002 -23.068 9.021 1.00 0.19 H HETATM 1694 H35 GLU A 100 -3.329 -19.538 8.758 1.00 0.08 H HETATM 1695 H34 GLU A 100 -5.193 -21.723 8.559 1.00 0.19 H HETATM 1696 H31 GLU A 100 -4.743 -22.138 5.012 1.00 0.08 H HETATM 1697 H30 GLU A 100 -6.472 -23.512 6.804 1.00 0.19 H HETATM 1698 H26 GLU A 100 -4.098 -25.996 7.763 1.00 0.08 H HETATM 1699 H25 GLU A 100 -6.847 -25.673 8.414 1.00 0.19 H HETATM 1700 H17 GLU A 100 -6.218 -23.699 11.361 1.00 0.08 H HETATM 1701 H16 GLU A 100 -8.724 -24.512 10.496 1.00 0.19 H HETATM 1702 H10 GLU A 100 -10.171 -23.064 9.637 1.00 0.08 H HETATM 1703 H9 GLU A 100 -9.208 -20.442 8.580 1.00 0.19 H HETATM 1704 H4 GLU A 100 -11.289 -19.014 9.633 1.00 0.11 H HETATM 1705 H1 GLU A 100 -11.226 -17.349 11.296 1.00 0.20 H HETATM 1706 H2 GLU A 100 -10.888 -18.582 12.332 1.00 0.20 H HETATM 1707 H3 GLU A 100 -12.224 -18.656 11.374 1.00 0.20 H CONECT 1 2 19 20 21 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 1506 1507 1705 1706 1707 CONECT 1507 1506 1508 1517 1704 CONECT 1508 1507 1509 1515 1516 CONECT 1509 1508 1510 1513 1514 CONECT 1510 1509 1511 1512 CONECT 1511 1510 CONECT 1512 1510 CONECT 1513 1509 CONECT 1514 1509 CONECT 1515 1508 CONECT 1516 1508 CONECT 1517 1507 1518 1519 CONECT 1518 1517 CONECT 1519 1517 1520 1703 CONECT 1520 1519 1521 1529 1702 CONECT 1521 1520 1522 1526 1528 CONECT 1522 1521 1523 1524 1525 CONECT 1523 1522 CONECT 1524 1522 CONECT 1525 1522 CONECT 1526 1521 1527 CONECT 1527 1526 CONECT 1528 1521 CONECT 1529 1520 1530 1531 CONECT 1530 1529 CONECT 1531 1529 1532 1701 CONECT 1532 1531 1533 1547 1700 CONECT 1533 1532 1534 1545 1546 CONECT 1534 1533 1535 1539 CONECT 1535 1534 1536 1544 CONECT 1536 1535 1537 1543 CONECT 1537 1536 1538 1542 CONECT 1538 1537 1539 1541 CONECT 1539 1534 1538 1540 CONECT 1540 1539 CONECT 1541 1538 CONECT 1542 1537 CONECT 1543 1536 CONECT 1544 1535 CONECT 1545 1533 CONECT 1546 1533 CONECT 1547 1532 1548 1549 CONECT 1548 1547 CONECT 1549 1547 1550 1699 CONECT 1550 1549 1551 1556 1698 CONECT 1551 1550 1552 1554 1555 CONECT 1552 1551 1553 CONECT 1553 1552 CONECT 1554 1551 CONECT 1555 1551 CONECT 1556 1550 1557 1558 CONECT 1557 1556 CONECT 1558 1556 1559 1697 CONECT 1559 1558 1560 1566 1696 CONECT 1560 1559 1561 1564 1565 CONECT 1561 1560 1562 1563 CONECT 1562 1561 CONECT 1563 1561 CONECT 1564 1560 CONECT 1565 1560 CONECT 1566 1559 1567 1568 CONECT 1567 1566 CONECT 1568 1566 1569 1695 CONECT 1569 1568 1570 1583 1694 CONECT 1570 1569 1571 1581 1582 CONECT 1571 1570 1572 1576 1580 CONECT 1572 1571 1573 1574 1575 CONECT 1573 1572 CONECT 1574 1572 CONECT 1575 1572 CONECT 1576 1571 1577 1578 1579 CONECT 1577 1576 CONECT 1578 1576 CONECT 1579 1576 CONECT 1580 1571 CONECT 1581 1570 CONECT 1582 1570 CONECT 1583 1569 1584 1585 CONECT 1584 1583 CONECT 1585 1583 1586 1693 CONECT 1586 1585 1587 1605 1692 CONECT 1587 1586 1588 1603 1604 CONECT 1588 1587 1589 1592 CONECT 1589 1588 1590 1602 CONECT 1590 1589 1591 1601 CONECT 1591 1590 1592 1596 CONECT 1592 1588 1591 1593 CONECT 1593 1592 1594 1600 CONECT 1594 1593 1595 1599 CONECT 1595 1594 1596 1598 CONECT 1596 1591 1595 1597 CONECT 1597 1596 CONECT 1598 1595 CONECT 1599 1594 CONECT 1600 1593 CONECT 1601 1590 CONECT 1602 1589 CONECT 1603 1587 CONECT 1604 1587 CONECT 1605 1586 1606 1607 CONECT 1606 1605 CONECT 1607 1605 1608 1691 CONECT 1608 1607 1609 1619 1690 CONECT 1609 1608 1610 1617 1618 CONECT 1610 1609 1611 1615 1616 CONECT 1611 1610 1612 1613 1614 CONECT 1612 1611 CONECT 1613 1611 CONECT 1614 1611 CONECT 1615 1610 CONECT 1616 1610 CONECT 1617 1609 CONECT 1618 1609 CONECT 1619 1608 1620 1621 CONECT 1620 1619 CONECT 1621 1619 1622 1689 CONECT 1622 1621 1623 1636 1688 CONECT 1623 1622 1624 1634 1635 CONECT 1624 1623 1625 1629 1633 CONECT 1625 1624 1626 1627 1628 CONECT 1626 1625 CONECT 1627 1625 CONECT 1628 1625 CONECT 1629 1624 1630 1631 1632 CONECT 1630 1629 CONECT 1631 1629 CONECT 1632 1629 CONECT 1633 1624 CONECT 1634 1623 CONECT 1635 1623 CONECT 1636 1622 1637 1638 CONECT 1637 1636 CONECT 1638 1636 1639 1687 CONECT 1639 1638 1640 1653 1686 CONECT 1640 1639 1641 1651 1652 CONECT 1641 1640 1642 1646 1650 CONECT 1642 1641 1643 1644 1645 CONECT 1643 1642 CONECT 1644 1642 CONECT 1645 1642 CONECT 1646 1641 1647 1648 1649 CONECT 1647 1646 CONECT 1648 1646 CONECT 1649 1646 CONECT 1650 1641 CONECT 1651 1640 CONECT 1652 1640 CONECT 1653 1639 1654 1655 CONECT 1654 1653 CONECT 1655 1653 1656 1678 CONECT 1656 1655 1657 1676 1685 CONECT 1657 1656 1658 1659 CONECT 1658 1657 CONECT 1659 1657 1660 1675 CONECT 1660 1659 1661 1670 1674 CONECT 1661 1660 1662 1668 1669 CONECT 1662 1661 1663 1666 1667 CONECT 1663 1662 1664 1665 CONECT 1664 1663 CONECT 1665 1663 CONECT 1666 1662 CONECT 1667 1662 CONECT 1668 1661 CONECT 1669 1661 CONECT 1670 1660 1671 1672 CONECT 1671 1670 CONECT 1672 1670 1673 CONECT 1673 1672 CONECT 1674 1660 CONECT 1675 1659 CONECT 1676 1656 1677 1683 1684 CONECT 1677 1676 1678 1681 1682 CONECT 1678 1655 1677 1679 1680 CONECT 1679 1678 CONECT 1680 1678 CONECT 1681 1677 CONECT 1682 1677 CONECT 1683 1676 CONECT 1684 1676 CONECT 1685 1656 CONECT 1686 1639 CONECT 1687 1638 CONECT 1688 1622 CONECT 1689 1621 CONECT 1690 1608 CONECT 1691 1607 CONECT 1692 1586 CONECT 1693 1585 CONECT 1694 1569 CONECT 1695 1568 CONECT 1696 1559 CONECT 1697 1558 CONECT 1698 1550 CONECT 1699 1549 CONECT 1700 1532 CONECT 1701 1531 CONECT 1702 1520 CONECT 1703 1519 CONECT 1704 1507 CONECT 1705 1506 CONECT 1706 1506 CONECT 1707 1506 MASTER 0 0 0 0 0 0 0 0 1706 1 206 7 END
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RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
PDBbind
15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
3dab
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Mdm4 protein
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=0.21uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) Cell Cycle Vol. 7: pp. 2441-2443
Ligand Properties
Formula
C
6
9
H
1
0
2
N
1
3
O
2
1
Molecular Weight
1449.620
Exact Mass
1448.730
No. of atoms
205
No. of bonds
208
Polar Surface Area
544.4
LOGP Value
3.44 (
Computed with XLOGP3
)
1.85 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 55
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 4
Canonical SMILES
CCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCC(=O)O)CC(C)C)CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCC(=O)O)[NH3+])Cc1ccccc1)CO)CC(=O)O)CC(C)C
InChI String
InChI=1S/C69H101N13O21/c1-9-16-44(59(92)74-47(28-36(4)5)61(94)79-51(29-37(6)7)68(101)82-26-15-21-53(82)66(99)73-45(69(102)103)23-25-55(87)88)72-63(96)49(31-40-33-71-43-20-14-13-19-41(40)43)76-60(93)46(27-35(2)3)75-64(97)50(32-56(89)90)77-65(98)52(34-83)80-62(95)48(30-39-17-11-10-12-18-39)78-67(100)57(38(8)84)81-58(91)42(70)22-24-54(85)86/h10-14,17-20,33,35-38,42,44-53,57,71,83-84H,9,15-16,21-32,34,70H2,1-8H3,(H,72,96)(H,73,99)(H,74,92)(H,75,97)(H,76,93)(H,77,98)(H,78,100)(H,79,94)(H,80,95)(H,81,91)(H,85,86)(H,87,88)(H,89,90)(H,102,103)/p+1/t38-,42+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,57+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O15151
P04637
Entrez Gene ID
NCBI Entrez Gene ID:
4194
7157
ASD
Information of known allosteric effects of PDB entries
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