Browse entries in the PDBbind-CN Database
HEADER 4UE1_COMPLEX COMPND 4UE1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 C 96 SER GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG SEQRES 2 C 96 PRO LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY SEQRES 3 C 96 ALA GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE SEQRES 4 C 96 TYR LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP SEQRES 5 C 96 ALA ALA GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU SEQRES 6 C 96 LEU GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS SEQRES 7 C 96 GLU HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU SEQRES 8 C 96 VAL VAL VAL ASN GLN HET ACE A 153 204 ATOM 1 N SER C 17 -26.581 31.221 -26.934 1.00 37.22 N ATOM 2 CA SER C 17 -25.146 31.133 -27.325 1.00 30.82 C ATOM 3 C SER C 17 -24.852 31.818 -28.659 1.00 30.59 C ATOM 4 O SER C 17 -25.614 31.698 -29.609 1.00 37.94 O ATOM 5 CB SER C 17 -24.721 29.673 -27.420 1.00 41.43 C ATOM 6 OG SER C 17 -24.205 29.209 -26.186 1.00 55.36 O ATOM 7 HG SER C 17 -23.938 28.260 -26.277 1.00 0.00 H ATOM 8 HN3 SER C 17 -27.166 30.764 -27.662 1.00 0.00 H ATOM 9 HN2 SER C 17 -26.854 32.221 -26.845 1.00 0.00 H ATOM 10 HN1 SER C 17 -26.721 30.740 -26.023 1.00 0.00 H ATOM 11 N GLN C 18 -23.730 32.520 -28.740 1.00 32.35 N ATOM 12 CA GLN C 18 -23.292 33.100 -30.005 1.00 30.40 C ATOM 13 C GLN C 18 -22.799 32.010 -30.985 1.00 23.73 C ATOM 14 O GLN C 18 -22.234 30.999 -30.583 1.00 30.64 O ATOM 15 CB GLN C 18 -22.205 34.147 -29.735 1.00 39.00 C ATOM 16 CG GLN C 18 -21.506 34.706 -30.959 1.00 50.00 C ATOM 17 CD GLN C 18 -20.228 35.452 -30.616 1.00 58.94 C ATOM 18 OE1 GLN C 18 -19.375 34.957 -29.872 1.00 56.78 O ATOM 19 NE2 GLN C 18 -20.084 36.651 -31.171 1.00 65.24 N ATOM 20 HE22 GLN C 18 -20.828 37.029 -31.792 1.00 0.00 H ATOM 21 HE21 GLN C 18 -19.228 37.211 -30.985 1.00 0.00 H ATOM 22 H GLN C 18 -23.152 32.660 -27.887 1.00 0.00 H ATOM 23 N ILE C 19 -23.038 32.216 -32.280 1.00 20.54 N ATOM 24 CA ILE C 19 -22.541 31.315 -33.321 1.00 19.63 C ATOM 25 C ILE C 19 -21.037 31.549 -33.416 1.00 20.40 C ATOM 26 O ILE C 19 -20.591 32.700 -33.426 1.00 24.32 O ATOM 27 CB ILE C 19 -23.238 31.606 -34.677 1.00 18.90 C ATOM 28 CG1 ILE C 19 -24.749 31.430 -34.535 1.00 22.31 C ATOM 29 CG2 ILE C 19 -22.750 30.694 -35.806 1.00 20.12 C ATOM 30 CD1 ILE C 19 -25.525 32.054 -35.681 1.00 22.41 C ATOM 31 H ILE C 19 -23.598 33.046 -32.561 1.00 0.00 H ATOM 32 N PRO C 20 -20.242 30.473 -33.473 1.00 18.96 N ATOM 33 CA PRO C 20 -18.777 30.667 -33.567 1.00 19.18 C ATOM 34 C PRO C 20 -18.415 31.368 -34.862 1.00 20.78 C ATOM 35 O PRO C 20 -19.146 31.259 -35.859 1.00 20.69 O ATOM 36 CB PRO C 20 -18.211 29.243 -33.593 1.00 20.65 C ATOM 37 CG PRO C 20 -19.350 28.313 -33.420 1.00 23.97 C ATOM 38 CD PRO C 20 -20.647 29.056 -33.436 1.00 19.18 C ATOM 39 N ALA C 21 -17.304 32.097 -34.841 1.00 22.12 N ATOM 40 CA ALA C 21 -16.858 32.832 -36.018 1.00 25.50 C ATOM 41 C ALA C 21 -16.530 31.890 -37.188 1.00 23.36 C ATOM 42 O ALA C 21 -16.619 32.292 -38.335 1.00 30.37 O ATOM 43 CB ALA C 21 -15.659 33.714 -35.674 1.00 30.34 C ATOM 44 H ALA C 21 -16.742 32.144 -33.967 1.00 0.00 H ATOM 45 N SER C 22 -16.125 30.652 -36.888 1.00 25.73 N ATOM 46 CA SER C 22 -15.780 29.641 -37.896 1.00 25.31 C ATOM 47 C SER C 22 -15.922 28.275 -37.254 1.00 21.69 C ATOM 48 O SER C 22 -16.003 28.199 -36.027 1.00 22.91 O ATOM 49 CB SER C 22 -14.333 29.822 -38.400 1.00 31.03 C ATOM 50 OG SER C 22 -13.371 29.625 -37.357 1.00 33.21 O ATOM 51 HG SER C 22 -12.459 29.750 -37.722 1.00 0.00 H ATOM 52 H SER C 22 -16.050 30.390 -35.884 1.00 0.00 H ATOM 53 N GLU C 23 -15.999 27.218 -38.064 1.00 22.95 N ATOM 54 CA GLU C 23 -16.094 25.876 -37.544 1.00 24.24 C ATOM 55 C GLU C 23 -14.894 25.621 -36.628 1.00 22.17 C ATOM 56 O GLU C 23 -15.074 25.015 -35.569 1.00 21.87 O ATOM 57 CB GLU C 23 -16.165 24.838 -38.676 1.00 26.82 C ATOM 58 CG GLU C 23 -16.473 23.409 -38.229 1.00 35.14 C ATOM 59 CD GLU C 23 -15.279 22.661 -37.637 1.00 33.29 C ATOM 60 OE1 GLU C 23 -14.111 23.041 -37.913 1.00 33.06 O ATOM 61 OE2 GLU C 23 -15.514 21.687 -36.881 1.00 44.02 O ATOM 62 H GLU C 23 -15.990 27.365 -39.094 1.00 0.00 H ATOM 63 N GLN C 24 -13.697 26.065 -37.034 1.00 22.21 N ATOM 64 CA GLN C 24 -12.456 25.890 -36.253 1.00 22.90 C ATOM 65 C GLN C 24 -12.528 26.479 -34.862 1.00 19.02 C ATOM 66 O GLN C 24 -11.820 26.030 -33.967 1.00 18.69 O ATOM 67 CB GLN C 24 -11.244 26.580 -36.931 1.00 27.11 C ATOM 68 CG GLN C 24 -10.940 26.198 -38.360 1.00 37.87 C ATOM 69 CD GLN C 24 -10.688 24.721 -38.543 1.00 53.52 C ATOM 70 OE1 GLN C 24 -11.119 24.131 -39.537 1.00 78.29 O ATOM 71 NE2 GLN C 24 -9.989 24.106 -37.581 1.00 64.84 N ATOM 72 HE22 GLN C 24 -9.646 24.646 -36.761 1.00 0.00 H ATOM 73 HE21 GLN C 24 -9.789 23.088 -37.654 1.00 0.00 H ATOM 74 H GLN C 24 -13.639 26.559 -37.947 1.00 0.00 H ATOM 75 N GLU C 25 -13.353 27.508 -34.675 1.00 19.67 N ATOM 76 CA GLU C 25 -13.425 28.207 -33.400 1.00 20.75 C ATOM 77 C GLU C 25 -14.585 27.720 -32.517 1.00 19.20 C ATOM 78 O GLU C 25 -14.821 28.276 -31.440 1.00 23.49 O ATOM 79 CB GLU C 25 -13.538 29.723 -33.631 1.00 22.83 C ATOM 80 CG GLU C 25 -12.354 30.316 -34.367 1.00 28.86 C ATOM 81 CD GLU C 25 -11.012 30.082 -33.687 1.00 47.42 C ATOM 82 OE1 GLU C 25 -10.894 30.355 -32.470 1.00 47.75 O ATOM 83 OE2 GLU C 25 -10.060 29.635 -34.376 1.00 64.59 O ATOM 84 H GLU C 25 -13.961 27.820 -35.459 1.00 0.00 H ATOM 85 N THR C 26 -15.312 26.704 -32.973 1.00 17.96 N ATOM 86 CA THR C 26 -16.379 26.129 -32.148 1.00 17.75 C ATOM 87 C THR C 26 -15.763 25.640 -30.835 1.00 16.55 C ATOM 88 O THR C 26 -14.729 24.935 -30.856 1.00 15.94 O ATOM 89 CB THR C 26 -17.086 24.925 -32.840 1.00 19.98 C ATOM 90 OG1 THR C 26 -17.574 25.297 -34.137 1.00 23.11 O ATOM 91 CG2 THR C 26 -18.264 24.446 -31.995 1.00 21.41 C ATOM 92 HG1 THR C 26 -18.018 24.518 -34.557 1.00 0.00 H ATOM 93 H THR C 26 -15.123 26.316 -33.919 1.00 0.00 H ATOM 94 N LEU C 27 -16.361 25.997 -29.706 1.00 17.56 N ATOM 95 CA LEU C 27 -15.871 25.555 -28.394 1.00 14.44 C ATOM 96 C LEU C 27 -16.495 24.238 -28.037 1.00 15.65 C ATOM 97 O LEU C 27 -17.715 24.032 -28.228 1.00 16.61 O ATOM 98 CB LEU C 27 -16.132 26.601 -27.287 1.00 19.07 C ATOM 99 CG LEU C 27 -15.257 27.866 -27.251 1.00 26.95 C ATOM 100 CD1 LEU C 27 -15.600 28.695 -26.012 1.00 31.13 C ATOM 101 CD2 LEU C 27 -13.767 27.544 -27.252 1.00 31.12 C ATOM 102 H LEU C 27 -17.202 26.608 -29.751 1.00 0.00 H ATOM 103 N VAL C 28 -15.652 23.327 -27.551 1.00 14.25 N ATOM 104 CA VAL C 28 -16.074 21.965 -27.309 1.00 14.37 C ATOM 105 C VAL C 28 -15.469 21.403 -26.031 1.00 13.57 C ATOM 106 O VAL C 28 -14.395 21.842 -25.590 1.00 16.26 O ATOM 107 CB VAL C 28 -15.719 21.013 -28.490 1.00 15.31 C ATOM 108 CG1 VAL C 28 -16.435 21.421 -29.781 1.00 16.29 C ATOM 109 CG2 VAL C 28 -14.194 20.927 -28.720 1.00 17.49 C ATOM 110 H VAL C 28 -14.671 23.601 -27.342 1.00 0.00 H ATOM 111 N ARG C 29 -16.168 20.436 -25.440 1.00 15.03 N ATOM 112 CA ARG C 29 -15.652 19.686 -24.295 1.00 14.73 C ATOM 113 C ARG C 29 -15.520 18.223 -24.696 1.00 16.48 C ATOM 114 O ARG C 29 -16.523 17.530 -24.906 1.00 18.35 O ATOM 115 CB ARG C 29 -16.554 19.828 -23.050 1.00 17.99 C ATOM 116 CG ARG C 29 -16.349 21.120 -22.288 1.00 24.32 C ATOM 117 CD ARG C 29 -16.926 20.997 -20.892 1.00 29.90 C ATOM 118 NE ARG C 29 -18.188 21.709 -20.719 1.00 43.93 N ATOM 119 CZ ARG C 29 -19.389 21.177 -20.945 1.00 50.48 C ATOM 120 NH1 ARG C 29 -19.484 19.931 -21.387 1.00 58.39 N ATOM 121 NH2 ARG C 29 -20.496 21.895 -20.753 1.00 53.77 N ATOM 122 HE ARG C 29 -18.148 22.697 -20.398 1.00 0.00 H ATOM 123 HH12 ARG C 29 -20.419 19.512 -21.565 1.00 0.00 H ATOM 124 HH11 ARG C 29 -18.623 19.372 -21.556 1.00 0.00 H ATOM 125 HH22 ARG C 29 -21.429 21.471 -20.932 1.00 0.00 H ATOM 126 HH21 ARG C 29 -20.427 22.879 -20.424 1.00 0.00 H ATOM 127 H ARG C 29 -17.114 20.206 -25.805 1.00 0.00 H ATOM 128 N PRO C 30 -14.278 17.723 -24.785 1.00 15.69 N ATOM 129 CA PRO C 30 -14.108 16.317 -25.133 1.00 16.44 C ATOM 130 C PRO C 30 -14.734 15.380 -24.093 1.00 15.92 C ATOM 131 O PRO C 30 -14.652 15.652 -22.895 1.00 18.08 O ATOM 132 CB PRO C 30 -12.582 16.162 -25.140 1.00 19.04 C ATOM 133 CG PRO C 30 -12.104 17.501 -25.584 1.00 20.78 C ATOM 134 CD PRO C 30 -13.002 18.461 -24.840 1.00 17.41 C ATOM 135 N LYS C 31 -15.312 14.275 -24.564 1.00 15.58 N ATOM 136 CA LYS C 31 -15.807 13.199 -23.691 1.00 17.84 C ATOM 137 C LYS C 31 -14.586 12.441 -23.120 1.00 19.42 C ATOM 138 O LYS C 31 -13.447 12.709 -23.533 1.00 19.05 O ATOM 139 CB LYS C 31 -16.753 12.300 -24.482 1.00 19.53 C ATOM 140 CG LYS C 31 -18.045 13.012 -24.861 1.00 19.07 C ATOM 141 CD LYS C 31 -18.958 12.074 -25.615 1.00 20.55 C ATOM 142 CE LYS C 31 -20.145 12.844 -26.139 1.00 20.43 C ATOM 143 NZ LYS C 31 -21.057 11.933 -26.867 1.00 27.39 N ATOM 144 HZ1 LYS C 31 -20.549 11.501 -27.665 1.00 0.00 H ATOM 145 HZ2 LYS C 31 -21.389 11.188 -26.222 1.00 0.00 H ATOM 146 HZ3 LYS C 31 -21.871 12.472 -27.224 1.00 0.00 H ATOM 147 H LYS C 31 -15.418 14.169 -25.593 1.00 0.00 H ATOM 148 N PRO C 32 -14.799 11.571 -22.126 1.00 21.09 N ATOM 149 CA PRO C 32 -13.646 11.056 -21.366 1.00 21.75 C ATOM 150 C PRO C 32 -12.525 10.395 -22.155 1.00 20.89 C ATOM 151 O PRO C 32 -11.348 10.689 -21.856 1.00 21.26 O ATOM 152 CB PRO C 32 -14.296 10.073 -20.393 1.00 22.66 C ATOM 153 CG PRO C 32 -15.627 10.704 -20.134 1.00 24.26 C ATOM 154 CD PRO C 32 -16.071 11.168 -21.484 1.00 23.29 C ATOM 155 N LEU C 33 -12.849 9.533 -23.125 1.00 20.63 N ATOM 156 CA LEU C 33 -11.779 8.855 -23.907 1.00 20.61 C ATOM 157 C LEU C 33 -10.971 9.876 -24.707 1.00 19.75 C ATOM 158 O LEU C 33 -9.734 9.838 -24.717 1.00 18.15 O ATOM 159 CB LEU C 33 -12.338 7.794 -24.848 1.00 25.15 C ATOM 160 CG LEU C 33 -11.391 6.724 -25.416 1.00 33.19 C ATOM 161 CD1 LEU C 33 -10.624 6.045 -24.284 1.00 43.53 C ATOM 162 CD2 LEU C 33 -12.168 5.694 -26.233 1.00 37.82 C ATOM 163 H LEU C 33 -13.849 9.336 -23.333 1.00 0.00 H ATOM 164 N LEU C 34 -11.669 10.791 -25.381 1.00 17.07 N ATOM 165 CA LEU C 34 -10.945 11.786 -26.169 1.00 14.30 C ATOM 166 C LEU C 34 -10.146 12.707 -25.243 1.00 14.16 C ATOM 167 O LEU C 34 -9.028 13.095 -25.587 1.00 13.93 O ATOM 168 CB LEU C 34 -11.889 12.580 -27.088 1.00 15.26 C ATOM 169 CG LEU C 34 -11.217 13.694 -27.921 1.00 13.44 C ATOM 170 CD1 LEU C 34 -10.052 13.225 -28.808 1.00 18.08 C ATOM 171 CD2 LEU C 34 -12.287 14.351 -28.777 1.00 17.25 C ATOM 172 H LEU C 34 -12.708 10.796 -25.346 1.00 0.00 H ATOM 173 N LEU C 35 -10.692 13.052 -24.063 1.00 16.03 N ATOM 174 CA LEU C 35 -9.960 13.917 -23.133 1.00 17.45 C ATOM 175 C LEU C 35 -8.693 13.204 -22.678 1.00 15.77 C ATOM 176 O LEU C 35 -7.651 13.820 -22.607 1.00 17.04 O ATOM 177 CB LEU C 35 -10.816 14.338 -21.931 1.00 20.33 C ATOM 178 CG LEU C 35 -10.198 15.442 -21.064 1.00 22.33 C ATOM 179 CD1 LEU C 35 -9.950 16.733 -21.828 1.00 27.31 C ATOM 180 CD2 LEU C 35 -11.143 15.712 -19.913 1.00 26.71 C ATOM 181 H LEU C 35 -11.638 12.703 -23.809 1.00 0.00 H ATOM 182 N LYS C 36 -8.782 11.896 -22.446 1.00 16.04 N ATOM 183 CA LYS C 36 -7.609 11.108 -22.035 1.00 17.45 C ATOM 184 C LYS C 36 -6.532 11.161 -23.115 1.00 16.34 C ATOM 185 O LYS C 36 -5.347 11.334 -22.816 1.00 16.80 O ATOM 186 CB LYS C 36 -7.996 9.664 -21.753 1.00 19.32 C ATOM 187 CG LYS C 36 -6.843 8.803 -21.255 1.00 24.01 C ATOM 188 CD LYS C 36 -7.344 7.385 -20.986 1.00 27.31 C ATOM 189 CE LYS C 36 -6.214 6.373 -20.865 1.00 35.97 C ATOM 190 NZ LYS C 36 -5.726 6.269 -19.466 1.00 45.95 N ATOM 191 HZ1 LYS C 36 -5.374 7.196 -19.153 1.00 0.00 H ATOM 192 HZ2 LYS C 36 -6.507 5.967 -18.849 1.00 0.00 H ATOM 193 HZ3 LYS C 36 -4.956 5.571 -19.420 1.00 0.00 H ATOM 194 H LYS C 36 -9.700 11.421 -22.558 1.00 0.00 H ATOM 195 N LEU C 37 -6.957 11.050 -24.371 1.00 14.68 N ATOM 196 CA LEU C 37 -6.003 11.133 -25.491 1.00 14.10 C ATOM 197 C LEU C 37 -5.311 12.508 -25.509 1.00 14.79 C ATOM 198 O LEU C 37 -4.088 12.605 -25.611 1.00 15.00 O ATOM 199 CB LEU C 37 -6.725 10.850 -26.818 1.00 15.16 C ATOM 200 CG LEU C 37 -5.863 10.838 -28.094 1.00 15.02 C ATOM 201 CD1 LEU C 37 -6.567 10.049 -29.189 1.00 15.99 C ATOM 202 CD2 LEU C 37 -5.551 12.239 -28.623 1.00 15.95 C ATOM 203 H LEU C 37 -7.969 10.904 -24.563 1.00 0.00 H ATOM 204 N LEU C 38 -6.102 13.564 -25.404 1.00 13.81 N ATOM 205 CA LEU C 38 -5.554 14.926 -25.386 1.00 14.46 C ATOM 206 C LEU C 38 -4.579 15.128 -24.221 1.00 14.54 C ATOM 207 O LEU C 38 -3.497 15.706 -24.396 1.00 16.05 O ATOM 208 CB LEU C 38 -6.679 15.951 -25.325 1.00 15.53 C ATOM 209 CG LEU C 38 -7.677 15.962 -26.496 1.00 22.20 C ATOM 210 CD1 LEU C 38 -8.565 17.191 -26.398 1.00 23.62 C ATOM 211 CD2 LEU C 38 -7.151 15.777 -27.899 1.00 21.32 C ATOM 212 H LEU C 38 -7.130 13.426 -25.333 1.00 0.00 H ATOM 213 N LYS C 39 -4.971 14.680 -23.036 1.00 15.59 N ATOM 214 CA LYS C 39 -4.085 14.872 -21.872 1.00 18.46 C ATOM 215 C LYS C 39 -2.773 14.094 -22.015 1.00 15.51 C ATOM 216 O LYS C 39 -1.719 14.529 -21.503 1.00 18.18 O ATOM 217 CB LYS C 39 -4.800 14.539 -20.558 1.00 23.04 C ATOM 218 CG LYS C 39 -5.909 15.537 -20.280 1.00 27.31 C ATOM 219 CD LYS C 39 -6.326 15.562 -18.836 1.00 35.00 C ATOM 220 CE LYS C 39 -7.324 16.691 -18.615 1.00 37.73 C ATOM 221 NZ LYS C 39 -7.746 16.739 -17.195 1.00 52.68 N ATOM 222 HZ1 LYS C 39 -8.193 15.836 -16.937 1.00 0.00 H ATOM 223 HZ2 LYS C 39 -6.914 16.900 -16.593 1.00 0.00 H ATOM 224 HZ3 LYS C 39 -8.426 17.514 -17.063 1.00 0.00 H ATOM 225 H LYS C 39 -5.888 14.201 -22.929 1.00 0.00 H ATOM 226 N SER C 40 -2.817 12.980 -22.756 1.00 14.88 N ATOM 227 CA SER C 40 -1.616 12.174 -22.973 1.00 15.50 C ATOM 228 C SER C 40 -0.546 12.926 -23.761 1.00 16.92 C ATOM 229 O SER C 40 0.638 12.557 -23.681 1.00 20.36 O ATOM 230 CB SER C 40 -1.946 10.830 -23.655 1.00 17.78 C ATOM 231 OG SER C 40 -2.082 10.910 -25.062 1.00 18.62 O ATOM 232 HG SER C 40 -2.814 11.537 -25.286 1.00 0.00 H ATOM 233 H SER C 40 -3.718 12.684 -23.183 1.00 0.00 H ATOM 234 N VAL C 41 -0.965 13.940 -24.521 1.00 15.75 N ATOM 235 CA VAL C 41 -0.038 14.766 -25.303 1.00 18.23 C ATOM 236 C VAL C 41 0.089 16.161 -24.734 1.00 19.99 C ATOM 237 O VAL C 41 0.583 17.064 -25.388 1.00 25.28 O ATOM 238 CB VAL C 41 -0.385 14.789 -26.820 1.00 18.24 C ATOM 239 CG1 VAL C 41 0.072 13.481 -27.437 1.00 22.08 C ATOM 240 CG2 VAL C 41 -1.874 14.991 -27.071 1.00 19.98 C ATOM 241 H VAL C 41 -1.982 14.152 -24.560 1.00 0.00 H ATOM 242 N GLY C 42 -0.333 16.326 -23.489 1.00 18.38 N ATOM 243 CA GLY C 42 -0.003 17.549 -22.776 1.00 19.85 C ATOM 244 C GLY C 42 -1.132 18.518 -22.571 1.00 20.41 C ATOM 245 O GLY C 42 -0.937 19.549 -21.941 1.00 24.23 O ATOM 246 H GLY C 42 -0.897 15.585 -23.025 1.00 0.00 H ATOM 247 N ALA C 43 -2.322 18.216 -23.083 1.00 19.59 N ATOM 248 CA ALA C 43 -3.456 19.103 -22.851 1.00 23.67 C ATOM 249 C ALA C 43 -3.761 19.193 -21.361 1.00 27.62 C ATOM 250 O ALA C 43 -3.653 18.209 -20.647 1.00 30.85 O ATOM 251 CB ALA C 43 -4.670 18.641 -23.638 1.00 21.76 C ATOM 252 H ALA C 43 -2.443 17.350 -23.647 1.00 0.00 H ATOM 253 N GLN C 44 -4.122 20.390 -20.909 1.00 29.91 N ATOM 254 CA GLN C 44 -4.217 20.722 -19.481 1.00 36.21 C ATOM 255 C GLN C 44 -5.657 21.099 -19.076 1.00 34.83 C ATOM 256 O GLN C 44 -6.004 21.053 -17.888 1.00 42.90 O ATOM 257 CB GLN C 44 -3.239 21.876 -19.128 1.00 35.40 C ATOM 258 CG GLN C 44 -1.767 21.697 -19.538 1.00 28.45 C ATOM 259 CD GLN C 44 -1.017 20.637 -18.731 1.00 30.99 C ATOM 260 OE1 GLN C 44 -1.244 20.466 -17.519 1.00 24.33 O ATOM 261 NE2 GLN C 44 -0.076 19.931 -19.404 1.00 32.42 N ATOM 262 HE22 GLN C 44 0.080 20.107 -20.417 1.00 0.00 H ATOM 263 HE21 GLN C 44 0.490 19.213 -18.907 1.00 0.00 H ATOM 264 H GLN C 44 -4.349 21.131 -21.603 1.00 0.00 H ATOM 265 N LYS C 45 -6.478 21.457 -20.074 1.00 28.86 N ATOM 266 CA LYS C 45 -7.819 22.028 -19.874 1.00 32.23 C ATOM 267 C LYS C 45 -8.928 21.027 -20.216 1.00 23.30 C ATOM 268 O LYS C 45 -8.675 19.952 -20.776 1.00 29.19 O ATOM 269 CB LYS C 45 -8.031 23.243 -20.787 1.00 35.80 C ATOM 270 CG LYS C 45 -7.188 24.487 -20.554 1.00 40.94 C ATOM 271 CD LYS C 45 -7.392 25.448 -21.732 1.00 44.78 C ATOM 272 CE LYS C 45 -6.904 24.847 -23.055 1.00 52.58 C ATOM 273 NZ LYS C 45 -7.767 25.113 -24.259 1.00 36.70 N ATOM 274 HZ1 LYS C 45 -8.717 24.722 -24.096 1.00 0.00 H ATOM 275 HZ2 LYS C 45 -7.835 26.139 -24.415 1.00 0.00 H ATOM 276 HZ3 LYS C 45 -7.343 24.661 -25.094 1.00 0.00 H ATOM 277 H LYS C 45 -6.146 21.323 -21.050 1.00 0.00 H ATOM 278 N ASP C 46 -10.162 21.409 -19.919 1.00 29.89 N ATOM 279 CA ASP C 46 -11.339 20.604 -20.238 1.00 27.51 C ATOM 280 C ASP C 46 -12.088 21.112 -21.466 1.00 24.74 C ATOM 281 O ASP C 46 -12.834 20.351 -22.075 1.00 23.55 O ATOM 282 CB ASP C 46 -12.309 20.559 -19.049 1.00 37.30 C ATOM 283 CG ASP C 46 -11.897 19.540 -17.968 1.00 50.33 C ATOM 284 OD1 ASP C 46 -10.761 19.009 -17.989 1.00 46.91 O ATOM 285 OD2 ASP C 46 -12.735 19.267 -17.081 1.00 72.08 O ATOM 286 H ASP C 46 -10.298 22.321 -19.438 1.00 0.00 H ATOM 287 N THR C 47 -11.881 22.385 -21.814 1.00 23.33 N ATOM 288 CA THR C 47 -12.557 23.032 -22.948 1.00 19.99 C ATOM 289 C THR C 47 -11.568 23.547 -23.996 1.00 17.15 C ATOM 290 O THR C 47 -10.549 24.142 -23.646 1.00 19.61 O ATOM 291 CB THR C 47 -13.413 24.202 -22.441 1.00 24.61 C ATOM 292 OG1 THR C 47 -14.303 23.720 -21.424 1.00 31.23 O ATOM 293 CG2 THR C 47 -14.210 24.836 -23.560 1.00 24.57 C ATOM 294 HG1 THR C 47 -14.859 24.469 -21.092 1.00 0.00 H ATOM 295 H THR C 47 -11.208 22.947 -21.255 1.00 0.00 H ATOM 296 N TYR C 48 -11.902 23.347 -25.273 1.00 15.38 N ATOM 297 CA TYR C 48 -10.985 23.567 -26.408 1.00 14.43 C ATOM 298 C TYR C 48 -11.741 24.108 -27.582 1.00 15.07 C ATOM 299 O TYR C 48 -12.941 23.915 -27.683 1.00 18.21 O ATOM 300 CB TYR C 48 -10.368 22.224 -26.833 1.00 16.30 C ATOM 301 CG TYR C 48 -9.547 21.603 -25.745 1.00 18.99 C ATOM 302 CD1 TYR C 48 -8.194 21.922 -25.628 1.00 20.41 C ATOM 303 CD2 TYR C 48 -10.116 20.746 -24.808 1.00 22.68 C ATOM 304 CE1 TYR C 48 -7.427 21.387 -24.616 1.00 20.83 C ATOM 305 CE2 TYR C 48 -9.349 20.194 -23.789 1.00 24.73 C ATOM 306 CZ TYR C 48 -8.008 20.532 -23.699 1.00 24.09 C ATOM 307 OH TYR C 48 -7.205 20.006 -22.702 1.00 33.98 O ATOM 308 HH TYR C 48 -7.568 20.264 -21.818 1.00 0.00 H ATOM 309 H TYR C 48 -12.866 23.016 -25.480 1.00 0.00 H ATOM 310 N THR C 49 -11.054 24.767 -28.495 1.00 13.67 N ATOM 311 CA THR C 49 -11.616 24.962 -29.815 1.00 14.78 C ATOM 312 C THR C 49 -11.449 23.697 -30.643 1.00 14.07 C ATOM 313 O THR C 49 -10.538 22.871 -30.396 1.00 14.30 O ATOM 314 CB THR C 49 -10.970 26.132 -30.556 1.00 16.76 C ATOM 315 OG1 THR C 49 -9.581 25.847 -30.761 1.00 17.86 O ATOM 316 CG2 THR C 49 -11.104 27.423 -29.738 1.00 19.50 C ATOM 317 HG1 THR C 49 -9.158 26.602 -31.241 1.00 0.00 H ATOM 318 H THR C 49 -10.112 25.145 -28.268 1.00 0.00 H ATOM 319 N MET C 50 -12.292 23.533 -31.656 1.00 14.30 N ATOM 320 CA MET C 50 -12.103 22.432 -32.589 1.00 13.44 C ATOM 321 C MET C 50 -10.679 22.411 -33.186 1.00 14.28 C ATOM 322 O MET C 50 -10.074 21.336 -33.349 1.00 14.90 O ATOM 323 CB MET C 50 -13.116 22.515 -33.743 1.00 16.69 C ATOM 324 CG MET C 50 -14.486 21.964 -33.376 1.00 19.79 C ATOM 325 SD MET C 50 -14.489 20.203 -33.005 1.00 23.67 S ATOM 326 CE MET C 50 -13.623 19.429 -34.378 1.00 24.91 C ATOM 327 H MET C 50 -13.087 24.191 -31.783 1.00 0.00 H ATOM 328 N LYS C 51 -10.154 23.577 -33.559 1.00 13.97 N ATOM 329 CA LYS C 51 -8.790 23.649 -34.115 1.00 15.47 C ATOM 330 C LYS C 51 -7.786 23.056 -33.116 1.00 14.51 C ATOM 331 O LYS C 51 -6.893 22.297 -33.523 1.00 14.46 O ATOM 332 CB LYS C 51 -8.451 25.112 -34.409 1.00 20.36 C ATOM 333 CG LYS C 51 -7.222 25.358 -35.255 1.00 26.01 C ATOM 334 CD LYS C 51 -7.087 26.864 -35.519 1.00 30.21 C ATOM 335 CE LYS C 51 -5.641 27.296 -35.671 1.00 44.10 C ATOM 336 NZ LYS C 51 -5.473 28.551 -36.456 1.00 54.39 N ATOM 337 HZ1 LYS C 51 -5.859 28.415 -37.412 1.00 0.00 H ATOM 338 HZ2 LYS C 51 -5.981 29.325 -35.983 1.00 0.00 H ATOM 339 HZ3 LYS C 51 -4.462 28.786 -36.520 1.00 0.00 H ATOM 340 H LYS C 51 -10.713 24.448 -33.457 1.00 0.00 H ATOM 341 N GLU C 52 -7.904 23.413 -31.829 1.00 14.19 N ATOM 342 CA GLU C 52 -7.004 22.847 -30.796 1.00 12.94 C ATOM 343 C GLU C 52 -7.125 21.321 -30.723 1.00 12.96 C ATOM 344 O GLU C 52 -6.106 20.635 -30.587 1.00 13.60 O ATOM 345 CB GLU C 52 -7.241 23.464 -29.408 1.00 14.55 C ATOM 346 CG GLU C 52 -6.766 24.906 -29.323 1.00 17.09 C ATOM 347 CD GLU C 52 -7.268 25.648 -28.115 1.00 23.71 C ATOM 348 OE1 GLU C 52 -8.263 25.220 -27.493 1.00 20.96 O ATOM 349 OE2 GLU C 52 -6.672 26.698 -27.793 1.00 33.45 O ATOM 350 H GLU C 52 -8.637 24.096 -31.552 1.00 0.00 H ATOM 351 N VAL C 53 -8.349 20.787 -30.789 1.00 12.30 N ATOM 352 CA VAL C 53 -8.530 19.334 -30.759 1.00 12.50 C ATOM 353 C VAL C 53 -7.785 18.696 -31.947 1.00 13.52 C ATOM 354 O VAL C 53 -7.072 17.706 -31.769 1.00 13.21 O ATOM 355 CB VAL C 53 -10.025 18.997 -30.775 1.00 12.62 C ATOM 356 CG1 VAL C 53 -10.241 17.496 -30.975 1.00 15.64 C ATOM 357 CG2 VAL C 53 -10.665 19.457 -29.469 1.00 15.38 C ATOM 358 H VAL C 53 -9.180 21.409 -30.862 1.00 0.00 H ATOM 359 N LEU C 54 -7.956 19.260 -33.149 1.00 12.72 N ATOM 360 CA LEU C 54 -7.276 18.737 -34.338 1.00 12.97 C ATOM 361 C LEU C 54 -5.746 18.805 -34.214 1.00 11.72 C ATOM 362 O LEU C 54 -5.052 17.893 -34.652 1.00 12.30 O ATOM 363 CB LEU C 54 -7.762 19.407 -35.635 1.00 14.66 C ATOM 364 CG LEU C 54 -8.981 18.774 -36.319 1.00 15.73 C ATOM 365 CD1 LEU C 54 -8.613 17.442 -36.955 1.00 15.81 C ATOM 366 CD2 LEU C 54 -10.148 18.610 -35.358 1.00 17.98 C ATOM 367 H LEU C 54 -8.583 20.085 -33.241 1.00 0.00 H ATOM 368 N PHE C 55 -5.211 19.851 -33.590 1.00 12.20 N ATOM 369 CA PHE C 55 -3.755 19.930 -33.433 1.00 11.64 C ATOM 370 C PHE C 55 -3.276 18.854 -32.458 1.00 12.20 C ATOM 371 O PHE C 55 -2.244 18.189 -32.707 1.00 11.85 O ATOM 372 CB PHE C 55 -3.298 21.294 -32.873 1.00 12.98 C ATOM 373 CG PHE C 55 -3.338 22.436 -33.859 1.00 15.05 C ATOM 374 CD1 PHE C 55 -2.707 22.343 -35.084 1.00 18.33 C ATOM 375 CD2 PHE C 55 -3.931 23.642 -33.491 1.00 17.99 C ATOM 376 CE1 PHE C 55 -2.685 23.422 -35.982 1.00 21.74 C ATOM 377 CE2 PHE C 55 -3.917 24.722 -34.367 1.00 19.12 C ATOM 378 CZ PHE C 55 -3.310 24.604 -35.623 1.00 22.27 C ATOM 379 H PHE C 55 -5.820 20.607 -33.217 1.00 0.00 H ATOM 380 N TYR C 56 -3.974 18.673 -31.339 1.00 11.80 N ATOM 381 CA TYR C 56 -3.538 17.639 -30.380 1.00 12.83 C ATOM 382 C TYR C 56 -3.670 16.240 -30.984 1.00 12.90 C ATOM 383 O TYR C 56 -2.829 15.365 -30.723 1.00 12.29 O ATOM 384 CB TYR C 56 -4.342 17.676 -29.081 1.00 14.32 C ATOM 385 CG TYR C 56 -3.961 18.739 -28.110 1.00 18.15 C ATOM 386 CD1 TYR C 56 -2.706 18.750 -27.504 1.00 20.41 C ATOM 387 CD2 TYR C 56 -4.877 19.734 -27.780 1.00 21.85 C ATOM 388 CE1 TYR C 56 -2.359 19.741 -26.562 1.00 24.06 C ATOM 389 CE2 TYR C 56 -4.547 20.722 -26.864 1.00 30.23 C ATOM 390 CZ TYR C 56 -3.286 20.730 -26.275 1.00 28.51 C ATOM 391 OH TYR C 56 -3.002 21.718 -25.363 1.00 37.99 O ATOM 392 HH TYR C 56 -3.087 22.603 -25.799 1.00 0.00 H ATOM 393 H TYR C 56 -4.815 19.252 -31.143 1.00 0.00 H ATOM 394 N LEU C 57 -4.728 15.985 -31.770 1.00 11.70 N ATOM 395 CA LEU C 57 -4.856 14.663 -32.434 1.00 12.07 C ATOM 396 C LEU C 57 -3.715 14.442 -33.424 1.00 12.10 C ATOM 397 O LEU C 57 -3.149 13.353 -33.480 1.00 11.98 O ATOM 398 CB LEU C 57 -6.196 14.529 -33.179 1.00 14.81 C ATOM 399 CG LEU C 57 -7.396 14.220 -32.311 1.00 16.47 C ATOM 400 CD1 LEU C 57 -8.681 14.447 -33.105 1.00 19.62 C ATOM 401 CD2 LEU C 57 -7.333 12.776 -31.828 1.00 19.75 C ATOM 402 H LEU C 57 -5.457 16.713 -31.914 1.00 0.00 H ATOM 403 N GLY C 58 -3.334 15.476 -34.188 1.00 11.22 N ATOM 404 CA GLY C 58 -2.168 15.357 -35.080 1.00 11.89 C ATOM 405 C GLY C 58 -0.910 15.048 -34.283 1.00 10.89 C ATOM 406 O GLY C 58 -0.096 14.202 -34.674 1.00 11.69 O ATOM 407 H GLY C 58 -3.866 16.369 -34.150 1.00 0.00 H ATOM 408 N GLN C 59 -0.742 15.733 -33.156 1.00 10.10 N ATOM 409 CA GLN C 59 0.452 15.512 -32.318 1.00 11.10 C ATOM 410 C GLN C 59 0.465 14.090 -31.731 1.00 11.98 C ATOM 411 O GLN C 59 1.528 13.449 -31.670 1.00 12.91 O ATOM 412 CB GLN C 59 0.488 16.561 -31.198 1.00 11.73 C ATOM 413 CG GLN C 59 1.590 16.346 -30.187 1.00 14.38 C ATOM 414 CD GLN C 59 1.950 17.636 -29.511 1.00 14.68 C ATOM 415 OE1 GLN C 59 2.038 18.688 -30.153 1.00 14.05 O ATOM 416 NE2 GLN C 59 2.211 17.560 -28.216 1.00 17.01 N ATOM 417 HE22 GLN C 59 2.122 16.650 -27.720 1.00 0.00 H ATOM 418 HE21 GLN C 59 2.505 18.410 -27.694 1.00 0.00 H ATOM 419 H GLN C 59 -1.457 16.429 -32.863 1.00 0.00 H ATOM 420 N TYR C 60 -0.704 13.574 -31.340 1.00 11.03 N ATOM 421 CA TYR C 60 -0.781 12.187 -30.879 1.00 11.33 C ATOM 422 C TYR C 60 -0.315 11.211 -31.986 1.00 11.53 C ATOM 423 O TYR C 60 0.505 10.304 -31.738 1.00 12.05 O ATOM 424 CB TYR C 60 -2.222 11.893 -30.424 1.00 12.14 C ATOM 425 CG TYR C 60 -2.464 10.503 -29.925 1.00 13.44 C ATOM 426 CD1 TYR C 60 -2.281 10.204 -28.585 1.00 16.83 C ATOM 427 CD2 TYR C 60 -2.918 9.483 -30.795 1.00 16.30 C ATOM 428 CE1 TYR C 60 -2.538 8.897 -28.109 1.00 19.71 C ATOM 429 CE2 TYR C 60 -3.167 8.186 -30.336 1.00 17.81 C ATOM 430 CZ TYR C 60 -2.984 7.909 -28.995 1.00 17.80 C ATOM 431 OH TYR C 60 -3.223 6.614 -28.525 1.00 26.07 O ATOM 432 HH TYR C 60 -3.048 6.580 -27.551 1.00 0.00 H ATOM 433 H TYR C 60 -1.563 14.160 -31.363 1.00 0.00 H ATOM 434 N ILE C 61 -0.857 11.389 -33.198 1.00 10.36 N ATOM 435 CA ILE C 61 -0.486 10.526 -34.313 1.00 11.88 C ATOM 436 C ILE C 61 1.029 10.587 -34.597 1.00 11.54 C ATOM 437 O ILE C 61 1.659 9.558 -34.846 1.00 13.13 O ATOM 438 CB ILE C 61 -1.350 10.868 -35.554 1.00 12.27 C ATOM 439 CG1 ILE C 61 -2.802 10.459 -35.257 1.00 12.53 C ATOM 440 CG2 ILE C 61 -0.805 10.158 -36.794 1.00 13.15 C ATOM 441 CD1 ILE C 61 -3.793 11.055 -36.247 1.00 14.92 C ATOM 442 H ILE C 61 -1.550 12.151 -33.345 1.00 0.00 H ATOM 443 N MET C 62 1.621 11.781 -34.581 1.00 10.65 N ATOM 444 CA MET C 62 3.026 11.894 -34.932 1.00 10.98 C ATOM 445 C MET C 62 3.916 11.354 -33.810 1.00 13.03 C ATOM 446 O MET C 62 4.878 10.633 -34.071 1.00 15.40 O ATOM 447 CB MET C 62 3.417 13.350 -35.234 1.00 12.47 C ATOM 448 CG MET C 62 2.873 13.871 -36.561 1.00 17.85 C ATOM 449 SD MET C 62 3.339 15.570 -36.961 1.00 17.89 S ATOM 450 CE MET C 62 2.261 16.451 -35.800 1.00 17.84 C ATOM 451 H MET C 62 1.079 12.629 -34.318 1.00 0.00 H ATOM 452 N THR C 63 3.612 11.691 -32.563 1.00 12.21 N ATOM 453 CA THR C 63 4.495 11.252 -31.478 1.00 12.49 C ATOM 454 C THR C 63 4.439 9.739 -31.289 1.00 12.98 C ATOM 455 O THR C 63 5.431 9.146 -30.907 1.00 14.72 O ATOM 456 CB THR C 63 4.215 11.967 -30.144 1.00 13.85 C ATOM 457 OG1 THR C 63 2.858 11.726 -29.744 1.00 14.25 O ATOM 458 CG2 THR C 63 4.429 13.451 -30.290 1.00 14.80 C ATOM 459 HG1 THR C 63 2.244 12.073 -30.439 1.00 0.00 H ATOM 460 H THR C 63 2.763 12.256 -32.359 1.00 0.00 H ATOM 461 N LYS C 64 3.281 9.122 -31.556 1.00 13.05 N ATOM 462 CA LYS C 64 3.154 7.670 -31.476 1.00 14.02 C ATOM 463 C LYS C 64 3.502 6.966 -32.804 1.00 15.50 C ATOM 464 O LYS C 64 3.453 5.739 -32.874 1.00 18.53 O ATOM 465 CB LYS C 64 1.741 7.306 -31.046 1.00 16.20 C ATOM 466 CG LYS C 64 1.447 7.765 -29.645 1.00 19.06 C ATOM 467 CD LYS C 64 0.233 7.061 -29.083 1.00 28.71 C ATOM 468 CE LYS C 64 0.410 5.552 -29.068 1.00 31.88 C ATOM 469 NZ LYS C 64 1.214 5.042 -27.925 1.00 41.49 N ATOM 470 HZ1 LYS C 64 2.165 5.461 -27.958 1.00 0.00 H ATOM 471 HZ2 LYS C 64 0.750 5.304 -27.032 1.00 0.00 H ATOM 472 HZ3 LYS C 64 1.287 4.007 -27.989 1.00 0.00 H ATOM 473 H LYS C 64 2.453 9.690 -31.827 1.00 0.00 H ATOM 474 N ARG C 65 3.843 7.734 -33.843 1.00 14.90 N ATOM 475 CA ARG C 65 4.301 7.206 -35.141 1.00 15.60 C ATOM 476 C ARG C 65 3.266 6.296 -35.758 1.00 16.00 C ATOM 477 O ARG C 65 3.592 5.197 -36.239 1.00 18.43 O ATOM 478 CB ARG C 65 5.659 6.482 -35.040 1.00 17.77 C ATOM 479 CG ARG C 65 6.730 7.336 -34.386 1.00 20.51 C ATOM 480 CD ARG C 65 8.035 6.541 -34.285 1.00 21.30 C ATOM 481 NE ARG C 65 8.973 7.206 -33.389 1.00 24.44 N ATOM 482 CZ ARG C 65 10.130 6.689 -32.998 1.00 28.25 C ATOM 483 NH1 ARG C 65 10.495 5.480 -33.414 1.00 32.83 N ATOM 484 NH2 ARG C 65 10.909 7.380 -32.175 1.00 36.22 N ATOM 485 HE ARG C 65 8.718 8.149 -33.032 1.00 0.00 H ATOM 486 HH12 ARG C 65 11.403 5.076 -33.106 1.00 0.00 H ATOM 487 HH11 ARG C 65 9.873 4.938 -34.047 1.00 0.00 H ATOM 488 HH22 ARG C 65 11.818 6.983 -31.863 1.00 0.00 H ATOM 489 HH21 ARG C 65 10.610 8.319 -31.842 1.00 0.00 H ATOM 490 H ARG C 65 3.782 8.766 -33.729 1.00 0.00 H ATOM 491 N LEU C 66 2.015 6.757 -35.778 1.00 13.96 N ATOM 492 CA LEU C 66 0.954 5.906 -36.277 1.00 14.04 C ATOM 493 C LEU C 66 0.758 5.972 -37.806 1.00 13.18 C ATOM 494 O LEU C 66 0.072 5.132 -38.380 1.00 18.29 O ATOM 495 CB LEU C 66 -0.342 6.246 -35.534 1.00 14.53 C ATOM 496 CG LEU C 66 -0.337 6.109 -34.007 1.00 15.69 C ATOM 497 CD1 LEU C 66 -1.678 6.526 -33.428 1.00 21.19 C ATOM 498 CD2 LEU C 66 0.019 4.691 -33.563 1.00 18.98 C ATOM 499 H LEU C 66 1.803 7.717 -35.439 1.00 0.00 H ATOM 500 N TYR C 67 1.297 6.986 -38.466 1.00 15.45 N ATOM 501 CA TYR C 67 1.115 7.116 -39.895 1.00 15.49 C ATOM 502 C TYR C 67 2.041 6.111 -40.606 1.00 15.39 C ATOM 503 O TYR C 67 3.153 5.783 -40.123 1.00 16.77 O ATOM 504 CB TYR C 67 1.387 8.558 -40.384 1.00 18.44 C ATOM 505 CG TYR C 67 2.756 9.077 -39.986 1.00 16.08 C ATOM 506 CD1 TYR C 67 3.863 8.883 -40.818 1.00 17.34 C ATOM 507 CD2 TYR C 67 2.949 9.754 -38.784 1.00 18.87 C ATOM 508 CE1 TYR C 67 5.113 9.333 -40.469 1.00 18.02 C ATOM 509 CE2 TYR C 67 4.209 10.210 -38.425 1.00 20.68 C ATOM 510 CZ TYR C 67 5.288 9.988 -39.266 1.00 19.47 C ATOM 511 OH TYR C 67 6.541 10.449 -38.910 1.00 22.15 O ATOM 512 HH TYR C 67 7.193 10.208 -39.615 1.00 0.00 H ATOM 513 H TYR C 67 1.857 7.696 -37.952 1.00 0.00 H ATOM 514 N ASP C 68 1.574 5.598 -41.734 1.00 13.84 N ATOM 515 CA ASP C 68 2.399 4.737 -42.568 1.00 13.20 C ATOM 516 C ASP C 68 3.611 5.568 -43.065 1.00 15.37 C ATOM 517 O ASP C 68 3.432 6.665 -43.632 1.00 16.46 O ATOM 518 CB ASP C 68 1.543 4.264 -43.743 1.00 14.33 C ATOM 519 CG ASP C 68 2.262 3.236 -44.594 1.00 16.48 C ATOM 520 OD1 ASP C 68 3.239 3.577 -45.283 1.00 18.50 O ATOM 521 OD2 ASP C 68 1.861 2.060 -44.545 1.00 19.27 O ATOM 522 H ASP C 68 0.600 5.814 -42.029 1.00 0.00 H ATOM 523 N ALA C 69 4.835 5.053 -42.879 1.00 16.18 N ATOM 524 CA ALA C 69 6.023 5.855 -43.194 1.00 16.40 C ATOM 525 C ALA C 69 6.152 6.206 -44.673 1.00 17.41 C ATOM 526 O ALA C 69 6.710 7.240 -45.023 1.00 20.90 O ATOM 527 CB ALA C 69 7.279 5.156 -42.694 1.00 19.00 C ATOM 528 H ALA C 69 4.942 4.086 -42.512 1.00 0.00 H ATOM 529 N ALA C 70 5.668 5.325 -45.547 1.00 16.72 N ATOM 530 CA ALA C 70 5.783 5.527 -46.986 1.00 18.87 C ATOM 531 C ALA C 70 4.560 6.210 -47.599 1.00 19.20 C ATOM 532 O ALA C 70 4.704 6.948 -48.580 1.00 24.55 O ATOM 533 CB ALA C 70 6.008 4.186 -47.673 1.00 20.30 C ATOM 534 H ALA C 70 5.195 4.469 -45.193 1.00 0.00 H ATOM 535 N GLN C 71 3.367 5.921 -47.068 1.00 16.88 N ATOM 536 CA GLN C 71 2.096 6.502 -47.563 1.00 17.37 C ATOM 537 C GLN C 71 1.444 7.235 -46.381 1.00 14.47 C ATOM 538 O GLN C 71 0.588 6.698 -45.677 1.00 13.88 O ATOM 539 CB GLN C 71 1.162 5.409 -48.096 1.00 19.52 C ATOM 540 CG GLN C 71 1.668 4.580 -49.270 1.00 24.07 C ATOM 541 CD GLN C 71 0.574 3.614 -49.687 1.00 28.90 C ATOM 542 OE1 GLN C 71 0.520 2.456 -49.232 1.00 34.84 O ATOM 543 NE2 GLN C 71 -0.358 4.112 -50.474 1.00 31.94 N ATOM 544 HE22 GLN C 71 -0.272 5.085 -50.831 1.00 0.00 H ATOM 545 HE21 GLN C 71 -1.180 3.532 -50.738 1.00 0.00 H ATOM 546 H GLN C 71 3.329 5.256 -46.269 1.00 0.00 H ATOM 547 N GLN C 72 1.876 8.485 -46.167 1.00 13.92 N ATOM 548 CA GLN C 72 1.661 9.131 -44.868 1.00 12.63 C ATOM 549 C GLN C 72 0.255 9.679 -44.668 1.00 14.16 C ATOM 550 O GLN C 72 -0.057 10.195 -43.606 1.00 15.53 O ATOM 551 CB GLN C 72 2.734 10.194 -44.613 1.00 13.71 C ATOM 552 CG GLN C 72 4.150 9.640 -44.692 1.00 14.61 C ATOM 553 CD GLN C 72 5.188 10.477 -43.936 1.00 15.25 C ATOM 554 OE1 GLN C 72 4.923 11.594 -43.473 1.00 15.85 O ATOM 555 NE2 GLN C 72 6.386 9.936 -43.811 1.00 17.59 N ATOM 556 HE22 GLN C 72 6.576 8.995 -44.212 1.00 0.00 H ATOM 557 HE21 GLN C 72 7.139 10.451 -43.312 1.00 0.00 H ATOM 558 H GLN C 72 2.366 9.000 -46.926 1.00 0.00 H ATOM 559 N HIS C 73 -0.617 9.479 -45.651 1.00 14.10 N ATOM 560 CA HIS C 73 -2.044 9.741 -45.415 1.00 13.70 C ATOM 561 C HIS C 73 -2.786 8.599 -44.711 1.00 12.57 C ATOM 562 O HIS C 73 -3.960 8.749 -44.358 1.00 15.34 O ATOM 563 CB HIS C 73 -2.769 10.111 -46.703 1.00 15.48 C ATOM 564 CG HIS C 73 -2.943 8.953 -47.636 1.00 19.06 C ATOM 565 ND1 HIS C 73 -1.943 8.528 -48.485 1.00 22.62 N ATOM 566 CD2 HIS C 73 -3.985 8.108 -47.824 1.00 18.56 C ATOM 567 CE1 HIS C 73 -2.373 7.490 -49.186 1.00 23.44 C ATOM 568 NE2 HIS C 73 -3.617 7.227 -48.817 1.00 24.65 N ATOM 569 H HIS C 73 -0.292 9.140 -46.579 1.00 0.00 H ATOM 570 N ILE C 74 -2.136 7.443 -44.562 1.00 12.21 N ATOM 571 CA ILE C 74 -2.758 6.334 -43.877 1.00 12.20 C ATOM 572 C ILE C 74 -2.310 6.336 -42.423 1.00 12.22 C ATOM 573 O ILE C 74 -1.109 6.463 -42.128 1.00 13.47 O ATOM 574 CB ILE C 74 -2.405 4.968 -44.514 1.00 13.76 C ATOM 575 CG1 ILE C 74 -2.920 4.904 -45.954 1.00 14.94 C ATOM 576 CG2 ILE C 74 -2.969 3.833 -43.651 1.00 15.09 C ATOM 577 CD1 ILE C 74 -4.418 5.055 -46.110 1.00 21.33 C ATOM 578 H ILE C 74 -1.174 7.340 -44.942 1.00 0.00 H ATOM 579 N VAL C 75 -3.289 6.198 -41.533 1.00 12.43 N ATOM 580 CA VAL C 75 -3.043 6.121 -40.081 1.00 14.39 C ATOM 581 C VAL C 75 -3.460 4.742 -39.586 1.00 13.22 C ATOM 582 O VAL C 75 -4.583 4.294 -39.877 1.00 14.93 O ATOM 583 CB VAL C 75 -3.807 7.227 -39.338 1.00 14.55 C ATOM 584 CG1 VAL C 75 -3.642 7.116 -37.813 1.00 16.44 C ATOM 585 CG2 VAL C 75 -3.295 8.576 -39.850 1.00 15.06 C ATOM 586 H VAL C 75 -4.269 6.142 -41.876 1.00 0.00 H ATOM 587 N TYR C 76 -2.579 4.102 -38.822 1.00 12.71 N ATOM 588 CA TYR C 76 -2.871 2.789 -38.200 1.00 13.65 C ATOM 589 C TYR C 76 -3.099 2.987 -36.735 1.00 14.98 C ATOM 590 O TYR C 76 -2.216 3.512 -36.053 1.00 18.76 O ATOM 591 CB TYR C 76 -1.677 1.813 -38.392 1.00 14.89 C ATOM 592 CG TYR C 76 -1.345 1.585 -39.836 1.00 15.03 C ATOM 593 CD1 TYR C 76 -2.283 1.002 -40.692 1.00 14.43 C ATOM 594 CD2 TYR C 76 -0.125 1.997 -40.371 1.00 14.09 C ATOM 595 CE1 TYR C 76 -2.018 0.819 -42.042 1.00 16.92 C ATOM 596 CE2 TYR C 76 0.163 1.831 -41.720 1.00 15.24 C ATOM 597 CZ TYR C 76 -0.779 1.230 -42.557 1.00 15.65 C ATOM 598 OH TYR C 76 -0.512 1.089 -43.903 1.00 17.88 O ATOM 599 HH TYR C 76 0.302 0.537 -44.021 1.00 0.00 H ATOM 600 H TYR C 76 -1.650 4.540 -38.655 1.00 0.00 H ATOM 601 N CYS C 77 -4.246 2.537 -36.231 1.00 14.00 N ATOM 602 CA CYS C 77 -4.598 2.819 -34.865 1.00 16.03 C ATOM 603 C CYS C 77 -5.274 1.671 -34.145 1.00 16.46 C ATOM 604 O CYS C 77 -5.887 1.882 -33.119 1.00 18.46 O ATOM 605 CB CYS C 77 -5.451 4.098 -34.791 1.00 17.28 C ATOM 606 SG CYS C 77 -6.880 4.109 -35.914 1.00 20.11 S ATOM 607 H CYS C 77 -4.890 1.979 -36.827 1.00 0.00 H ATOM 608 N SER C 78 -5.150 0.436 -34.672 1.00 15.77 N ATOM 609 CA SER C 78 -5.854 -0.692 -34.042 1.00 16.48 C ATOM 610 C SER C 78 -5.656 -0.783 -32.515 1.00 15.97 C ATOM 611 O SER C 78 -4.531 -0.921 -32.028 1.00 16.49 O ATOM 612 CB SER C 78 -5.457 -2.021 -34.668 1.00 17.63 C ATOM 613 OG SER C 78 -6.256 -3.043 -34.091 1.00 20.13 O ATOM 614 HG SER C 78 -7.211 -2.855 -34.271 1.00 0.00 H ATOM 615 H SER C 78 -4.562 0.282 -35.516 1.00 0.00 H ATOM 616 N ASN C 79 -6.781 -0.701 -31.784 1.00 15.65 N ATOM 617 CA ASN C 79 -6.817 -0.865 -30.338 1.00 15.62 C ATOM 618 C ASN C 79 -6.105 0.190 -29.513 1.00 15.77 C ATOM 619 O ASN C 79 -6.084 0.062 -28.309 1.00 17.71 O ATOM 620 CB ASN C 79 -6.309 -2.254 -29.934 1.00 16.20 C ATOM 621 CG ASN C 79 -7.317 -3.338 -30.253 1.00 20.30 C ATOM 622 OD1 ASN C 79 -8.224 -3.617 -29.453 1.00 25.41 O ATOM 623 ND2 ASN C 79 -7.184 -3.937 -31.423 1.00 22.40 N ATOM 624 HD22 ASN C 79 -6.407 -3.668 -32.059 1.00 0.00 H ATOM 625 HD21 ASN C 79 -7.857 -4.677 -31.708 1.00 0.00 H ATOM 626 H ASN C 79 -7.675 -0.510 -32.279 1.00 0.00 H ATOM 627 N ASP C 80 -5.514 1.221 -30.128 1.00 16.47 N ATOM 628 CA ASP C 80 -5.019 2.323 -29.275 1.00 16.39 C ATOM 629 C ASP C 80 -6.165 3.240 -28.933 1.00 17.79 C ATOM 630 O ASP C 80 -7.287 2.992 -29.401 1.00 18.40 O ATOM 631 CB ASP C 80 -3.741 3.027 -29.800 1.00 22.09 C ATOM 632 CG ASP C 80 -3.947 3.794 -31.076 1.00 27.08 C ATOM 633 OD1 ASP C 80 -5.052 4.321 -31.336 1.00 25.39 O ATOM 634 OD2 ASP C 80 -2.955 3.923 -31.836 1.00 32.38 O ATOM 635 H ASP C 80 -5.407 1.246 -31.162 1.00 0.00 H ATOM 636 N LEU C 81 -5.921 4.246 -28.065 1.00 20.64 N ATOM 637 CA LEU C 81 -7.015 5.196 -27.670 1.00 19.94 C ATOM 638 C LEU C 81 -7.700 5.729 -28.921 1.00 18.28 C ATOM 639 O LEU C 81 -8.951 5.889 -28.974 1.00 18.75 O ATOM 640 CB LEU C 81 -6.496 6.391 -26.860 1.00 23.53 C ATOM 641 CG LEU C 81 -5.659 6.152 -25.609 1.00 28.58 C ATOM 642 CD1 LEU C 81 -5.445 7.499 -24.924 1.00 26.51 C ATOM 643 CD2 LEU C 81 -6.360 5.178 -24.673 1.00 33.95 C ATOM 644 H LEU C 81 -4.967 4.364 -27.667 1.00 0.00 H ATOM 645 N LEU C 82 -6.899 6.039 -29.929 1.00 15.59 N ATOM 646 CA LEU C 82 -7.450 6.608 -31.149 1.00 15.19 C ATOM 647 C LEU C 82 -8.338 5.596 -31.898 1.00 15.24 C ATOM 648 O LEU C 82 -9.425 5.927 -32.327 1.00 16.28 O ATOM 649 CB LEU C 82 -6.325 7.160 -32.048 1.00 18.06 C ATOM 650 CG LEU C 82 -6.779 7.799 -33.372 1.00 18.56 C ATOM 651 CD1 LEU C 82 -7.714 8.982 -33.130 1.00 21.67 C ATOM 652 CD2 LEU C 82 -5.595 8.227 -34.258 1.00 21.56 C ATOM 653 H LEU C 82 -5.875 5.875 -29.848 1.00 0.00 H ATOM 654 N GLY C 83 -7.876 4.367 -32.067 1.00 18.20 N ATOM 655 CA GLY C 83 -8.681 3.346 -32.757 1.00 19.10 C ATOM 656 C GLY C 83 -9.959 3.065 -31.984 1.00 18.54 C ATOM 657 O GLY C 83 -11.016 2.816 -32.569 1.00 23.02 O ATOM 658 H GLY C 83 -6.932 4.120 -31.708 1.00 0.00 H ATOM 659 N ASP C 84 -9.881 3.124 -30.665 1.00 18.05 N ATOM 660 CA ASP C 84 -11.059 2.895 -29.845 1.00 22.46 C ATOM 661 C ASP C 84 -12.085 4.029 -29.998 1.00 25.43 C ATOM 662 O ASP C 84 -13.290 3.756 -30.062 1.00 27.35 O ATOM 663 CB ASP C 84 -10.646 2.671 -28.387 1.00 24.06 C ATOM 664 CG ASP C 84 -9.878 1.354 -28.179 1.00 25.87 C ATOM 665 OD1 ASP C 84 -9.885 0.476 -29.065 1.00 28.43 O ATOM 666 OD2 ASP C 84 -9.284 1.198 -27.094 1.00 36.95 O ATOM 667 H ASP C 84 -8.970 3.336 -30.211 1.00 0.00 H ATOM 668 N LEU C 85 -11.612 5.278 -30.060 1.00 21.18 N ATOM 669 CA LEU C 85 -12.452 6.442 -30.362 1.00 23.11 C ATOM 670 C LEU C 85 -13.131 6.332 -31.713 1.00 23.81 C ATOM 671 O LEU C 85 -14.357 6.491 -31.832 1.00 27.95 O ATOM 672 CB LEU C 85 -11.616 7.731 -30.365 1.00 23.06 C ATOM 673 CG LEU C 85 -11.188 8.183 -28.978 1.00 21.45 C ATOM 674 CD1 LEU C 85 -9.999 9.126 -29.011 1.00 23.04 C ATOM 675 CD2 LEU C 85 -12.357 8.828 -28.252 1.00 22.58 C ATOM 676 H LEU C 85 -10.598 5.432 -29.885 1.00 0.00 H ATOM 677 N PHE C 86 -12.321 6.093 -32.734 1.00 22.60 N ATOM 678 CA PHE C 86 -12.802 6.105 -34.108 1.00 24.70 C ATOM 679 C PHE C 86 -13.490 4.792 -34.491 1.00 26.64 C ATOM 680 O PHE C 86 -14.297 4.765 -35.428 1.00 36.23 O ATOM 681 CB PHE C 86 -11.624 6.392 -35.034 1.00 24.56 C ATOM 682 CG PHE C 86 -11.235 7.857 -35.115 1.00 26.40 C ATOM 683 CD1 PHE C 86 -11.758 8.827 -34.231 1.00 25.78 C ATOM 684 CD2 PHE C 86 -10.299 8.261 -36.061 1.00 23.96 C ATOM 685 CE1 PHE C 86 -11.373 10.174 -34.344 1.00 25.58 C ATOM 686 CE2 PHE C 86 -9.910 9.595 -36.167 1.00 30.19 C ATOM 687 CZ PHE C 86 -10.446 10.554 -35.315 1.00 25.01 C ATOM 688 H PHE C 86 -11.317 5.892 -32.549 1.00 0.00 H ATOM 689 N GLY C 87 -13.181 3.714 -33.766 1.00 26.51 N ATOM 690 CA GLY C 87 -13.775 2.385 -33.997 1.00 26.75 C ATOM 691 C GLY C 87 -13.290 1.639 -35.232 1.00 27.45 C ATOM 692 O GLY C 87 -14.025 0.833 -35.806 1.00 30.35 O ATOM 693 H GLY C 87 -12.486 3.817 -32.999 1.00 0.00 H ATOM 694 N VAL C 88 -12.056 1.925 -35.654 1.00 27.05 N ATOM 695 CA VAL C 88 -11.463 1.356 -36.856 1.00 27.75 C ATOM 696 C VAL C 88 -10.000 0.990 -36.564 1.00 18.74 C ATOM 697 O VAL C 88 -9.401 1.550 -35.623 1.00 21.79 O ATOM 698 CB VAL C 88 -11.513 2.355 -38.053 1.00 29.72 C ATOM 699 CG1 VAL C 88 -12.933 2.512 -38.579 1.00 38.49 C ATOM 700 CG2 VAL C 88 -10.882 3.707 -37.691 1.00 30.27 C ATOM 701 H VAL C 88 -11.487 2.591 -35.093 1.00 0.00 H ATOM 702 N PRO C 89 -9.426 0.049 -37.344 1.00 19.64 N ATOM 703 CA PRO C 89 -7.996 -0.234 -37.206 1.00 18.74 C ATOM 704 C PRO C 89 -7.113 0.709 -37.987 1.00 15.30 C ATOM 705 O PRO C 89 -5.933 0.775 -37.707 1.00 14.98 O ATOM 706 CB PRO C 89 -7.842 -1.648 -37.788 1.00 20.51 C ATOM 707 CG PRO C 89 -8.991 -1.779 -38.718 1.00 25.38 C ATOM 708 CD PRO C 89 -10.118 -0.961 -38.176 1.00 21.86 C ATOM 709 N SER C 90 -7.649 1.346 -39.030 1.00 16.44 N ATOM 710 CA SER C 90 -6.894 2.293 -39.864 1.00 16.29 C ATOM 711 C SER C 90 -7.871 3.226 -40.588 1.00 15.38 C ATOM 712 O SER C 90 -9.053 2.900 -40.781 1.00 18.13 O ATOM 713 CB SER C 90 -6.004 1.563 -40.884 1.00 16.41 C ATOM 714 OG SER C 90 -6.779 1.079 -41.978 1.00 21.01 O ATOM 715 HG SER C 90 -7.464 0.448 -41.642 1.00 0.00 H ATOM 716 H SER C 90 -8.646 1.164 -39.264 1.00 0.00 H ATOM 717 N PHE C 91 -7.372 4.390 -40.987 1.00 14.56 N ATOM 718 CA PHE C 91 -8.159 5.330 -41.770 1.00 14.80 C ATOM 719 C PHE C 91 -7.242 6.152 -42.636 1.00 13.20 C ATOM 720 O PHE C 91 -6.038 6.238 -42.378 1.00 14.34 O ATOM 721 CB PHE C 91 -9.055 6.232 -40.903 1.00 16.71 C ATOM 722 CG PHE C 91 -8.306 7.148 -39.972 1.00 15.08 C ATOM 723 CD1 PHE C 91 -7.933 6.716 -38.686 1.00 15.64 C ATOM 724 CD2 PHE C 91 -8.006 8.448 -40.359 1.00 16.70 C ATOM 725 CE1 PHE C 91 -7.239 7.570 -37.843 1.00 17.48 C ATOM 726 CE2 PHE C 91 -7.315 9.315 -39.513 1.00 17.27 C ATOM 727 CZ PHE C 91 -6.931 8.873 -38.252 1.00 20.33 C ATOM 728 H PHE C 91 -6.394 4.636 -40.733 1.00 0.00 H ATOM 729 N SER C 92 -7.824 6.771 -43.651 1.00 15.02 N ATOM 730 CA SER C 92 -7.122 7.723 -44.514 1.00 14.82 C ATOM 731 C SER C 92 -7.432 9.165 -44.100 1.00 14.56 C ATOM 732 O SER C 92 -8.597 9.533 -43.898 1.00 15.43 O ATOM 733 CB SER C 92 -7.558 7.531 -45.961 1.00 19.50 C ATOM 734 OG SER C 92 -6.981 8.538 -46.756 1.00 19.99 O ATOM 735 HG SER C 92 -7.263 8.416 -47.697 1.00 0.00 H ATOM 736 H SER C 92 -8.826 6.572 -43.844 1.00 0.00 H ATOM 737 N VAL C 93 -6.388 9.978 -44.004 1.00 14.39 N ATOM 738 CA VAL C 93 -6.519 11.387 -43.666 1.00 16.06 C ATOM 739 C VAL C 93 -7.344 12.103 -44.714 1.00 18.96 C ATOM 740 O VAL C 93 -7.929 13.142 -44.427 1.00 21.01 O ATOM 741 CB VAL C 93 -5.138 12.042 -43.483 1.00 16.03 C ATOM 742 CG1 VAL C 93 -5.271 13.531 -43.145 1.00 20.52 C ATOM 743 CG2 VAL C 93 -4.403 11.318 -42.368 1.00 18.24 C ATOM 744 H VAL C 93 -5.438 9.593 -44.177 1.00 0.00 H ATOM 745 N LYS C 94 -7.390 11.547 -45.925 1.00 17.23 N ATOM 746 CA LYS C 94 -8.149 12.172 -47.008 1.00 18.94 C ATOM 747 C LYS C 94 -9.661 12.113 -46.811 1.00 21.79 C ATOM 748 O LYS C 94 -10.403 12.835 -47.503 1.00 26.31 O ATOM 749 CB LYS C 94 -7.773 11.554 -48.369 1.00 22.89 C ATOM 750 CG LYS C 94 -6.309 11.717 -48.755 1.00 26.04 C ATOM 751 CD LYS C 94 -6.044 11.038 -50.091 1.00 31.34 C ATOM 752 CE LYS C 94 -4.600 11.194 -50.537 1.00 36.33 C ATOM 753 NZ LYS C 94 -4.445 10.685 -51.929 1.00 39.33 N ATOM 754 HZ1 LYS C 94 -4.709 9.680 -51.961 1.00 0.00 H ATOM 755 HZ2 LYS C 94 -5.063 11.227 -52.566 1.00 0.00 H ATOM 756 HZ3 LYS C 94 -3.455 10.794 -52.229 1.00 0.00 H ATOM 757 H LYS C 94 -6.880 10.658 -46.102 1.00 0.00 H ATOM 758 N GLU C 95 -10.120 11.235 -45.918 1.00 20.15 N ATOM 759 CA GLU C 95 -11.554 11.081 -45.648 1.00 22.96 C ATOM 760 C GLU C 95 -12.006 12.126 -44.631 1.00 19.82 C ATOM 761 O GLU C 95 -12.375 11.783 -43.501 1.00 22.50 O ATOM 762 CB GLU C 95 -11.848 9.665 -45.133 1.00 25.91 C ATOM 763 CG GLU C 95 -11.453 8.547 -46.100 1.00 32.97 C ATOM 764 CD GLU C 95 -12.545 8.168 -47.087 1.00 46.17 C ATOM 765 OE1 GLU C 95 -13.350 9.037 -47.498 1.00 57.91 O ATOM 766 OE2 GLU C 95 -12.593 6.980 -47.466 1.00 63.40 O ATOM 767 H GLU C 95 -9.442 10.642 -45.398 1.00 0.00 H ATOM 768 N HIS C 96 -11.977 13.400 -45.031 1.00 22.80 N ATOM 769 CA HIS C 96 -12.210 14.499 -44.099 1.00 21.90 C ATOM 770 C HIS C 96 -13.539 14.403 -43.378 1.00 23.46 C ATOM 771 O HIS C 96 -13.590 14.542 -42.163 1.00 21.59 O ATOM 772 CB HIS C 96 -12.090 15.879 -44.772 1.00 24.18 C ATOM 773 CG HIS C 96 -10.723 16.178 -45.307 1.00 27.70 C ATOM 774 ND1 HIS C 96 -10.436 17.315 -46.038 1.00 29.91 N ATOM 775 CD2 HIS C 96 -9.562 15.484 -45.217 1.00 29.39 C ATOM 776 CE1 HIS C 96 -9.156 17.302 -46.377 1.00 33.07 C ATOM 777 NE2 HIS C 96 -8.604 16.202 -45.889 1.00 29.18 N ATOM 778 H HIS C 96 -11.784 13.614 -46.030 1.00 0.00 H ATOM 779 N ARG C 97 -14.616 14.155 -44.116 1.00 25.08 N ATOM 780 CA ARG C 97 -15.938 14.180 -43.470 1.00 25.38 C ATOM 781 C ARG C 97 -16.122 13.004 -42.501 1.00 23.82 C ATOM 782 O ARG C 97 -16.726 13.156 -41.414 1.00 24.67 O ATOM 783 CB ARG C 97 -17.056 14.289 -44.504 1.00 32.93 C ATOM 784 CG ARG C 97 -17.035 15.657 -45.166 1.00 41.30 C ATOM 785 CD ARG C 97 -18.311 15.896 -45.933 1.00 55.16 C ATOM 786 NE ARG C 97 -18.779 14.661 -46.571 1.00 58.25 N ATOM 787 CZ ARG C 97 -18.388 14.231 -47.767 1.00 50.78 C ATOM 788 NH1 ARG C 97 -17.507 14.930 -48.474 1.00 49.01 N ATOM 789 NH2 ARG C 97 -18.879 13.097 -48.253 1.00 61.93 N ATOM 790 HE ARG C 97 -19.466 14.080 -46.050 1.00 0.00 H ATOM 791 HH12 ARG C 97 -17.204 14.590 -49.409 1.00 0.00 H ATOM 792 HH11 ARG C 97 -17.121 15.817 -48.093 1.00 0.00 H ATOM 793 HH22 ARG C 97 -18.576 12.757 -49.188 1.00 0.00 H ATOM 794 HH21 ARG C 97 -19.567 12.548 -47.699 1.00 0.00 H ATOM 795 H ARG C 97 -14.526 13.947 -45.131 1.00 0.00 H ATOM 796 N LYS C 98 -15.574 11.843 -42.872 1.00 25.07 N ATOM 797 CA LYS C 98 -15.563 10.679 -41.982 1.00 24.60 C ATOM 798 C LYS C 98 -14.810 10.962 -40.656 1.00 21.29 C ATOM 799 O LYS C 98 -15.294 10.620 -39.570 1.00 21.81 O ATOM 800 CB LYS C 98 -14.975 9.455 -42.700 1.00 28.39 C ATOM 801 CG LYS C 98 -14.944 8.185 -41.870 1.00 34.20 C ATOM 802 CD LYS C 98 -14.100 7.107 -42.547 1.00 45.97 C ATOM 803 CE LYS C 98 -13.858 5.931 -41.608 1.00 54.16 C ATOM 804 NZ LYS C 98 -15.069 5.110 -41.377 1.00 71.04 N ATOM 805 HZ1 LYS C 98 -15.812 5.702 -40.955 1.00 0.00 H ATOM 806 HZ2 LYS C 98 -15.404 4.725 -42.283 1.00 0.00 H ATOM 807 HZ3 LYS C 98 -14.838 4.328 -40.731 1.00 0.00 H ATOM 808 H LYS C 98 -15.145 11.764 -43.816 1.00 0.00 H ATOM 809 N ILE C 99 -13.641 11.605 -40.747 1.00 18.62 N ATOM 810 CA ILE C 99 -12.867 11.965 -39.545 1.00 16.27 C ATOM 811 C ILE C 99 -13.637 12.957 -38.672 1.00 16.25 C ATOM 812 O ILE C 99 -13.755 12.755 -37.459 1.00 16.82 O ATOM 813 CB ILE C 99 -11.494 12.532 -39.949 1.00 16.42 C ATOM 814 CG1 ILE C 99 -10.642 11.396 -40.536 1.00 18.04 C ATOM 815 CG2 ILE C 99 -10.793 13.191 -38.763 1.00 18.29 C ATOM 816 CD1 ILE C 99 -9.437 11.868 -41.347 1.00 19.15 C ATOM 817 H ILE C 99 -13.270 11.856 -41.686 1.00 0.00 H ATOM 818 N TYR C 100 -14.210 13.999 -39.296 1.00 17.35 N ATOM 819 CA TYR C 100 -15.033 14.920 -38.497 1.00 17.06 C ATOM 820 C TYR C 100 -16.199 14.243 -37.791 1.00 17.55 C ATOM 821 O TYR C 100 -16.432 14.519 -36.618 1.00 17.75 O ATOM 822 CB TYR C 100 -15.496 16.135 -39.298 1.00 18.65 C ATOM 823 CG TYR C 100 -14.420 17.209 -39.324 1.00 23.75 C ATOM 824 CD1 TYR C 100 -14.337 18.160 -38.302 1.00 26.99 C ATOM 825 CD2 TYR C 100 -13.458 17.246 -40.342 1.00 24.03 C ATOM 826 CE1 TYR C 100 -13.361 19.148 -38.309 1.00 30.58 C ATOM 827 CE2 TYR C 100 -12.470 18.223 -40.353 1.00 27.32 C ATOM 828 CZ TYR C 100 -12.429 19.165 -39.335 1.00 29.63 C ATOM 829 OH TYR C 100 -11.454 20.130 -39.367 1.00 39.53 O ATOM 830 HH TYR C 100 -11.553 20.724 -38.581 1.00 0.00 H ATOM 831 H TYR C 100 -14.076 14.151 -40.316 1.00 0.00 H ATOM 832 N THR C 101 -16.890 13.349 -38.485 1.00 17.95 N ATOM 833 CA THR C 101 -18.011 12.596 -37.896 1.00 18.67 C ATOM 834 C THR C 101 -17.545 11.847 -36.630 1.00 19.04 C ATOM 835 O THR C 101 -18.210 11.888 -35.584 1.00 19.64 O ATOM 836 CB THR C 101 -18.598 11.618 -38.940 1.00 20.96 C ATOM 837 OG1 THR C 101 -19.123 12.399 -40.037 1.00 25.96 O ATOM 838 CG2 THR C 101 -19.706 10.757 -38.334 1.00 28.54 C ATOM 839 HG1 THR C 101 -18.393 12.933 -40.440 1.00 0.00 H ATOM 840 H THR C 101 -16.632 13.174 -39.477 1.00 0.00 H ATOM 841 N MET C 102 -16.382 11.197 -36.734 1.00 17.65 N ATOM 842 CA MET C 102 -15.827 10.395 -35.640 1.00 21.87 C ATOM 843 C MET C 102 -15.407 11.289 -34.476 1.00 19.40 C ATOM 844 O MET C 102 -15.640 10.963 -33.313 1.00 23.74 O ATOM 845 CB MET C 102 -14.646 9.518 -36.131 1.00 23.81 C ATOM 846 CG MET C 102 -14.968 8.440 -37.201 1.00 28.72 C ATOM 847 SD MET C 102 -13.607 7.374 -37.865 1.00 31.49 S ATOM 848 CE MET C 102 -12.634 8.479 -38.895 1.00 33.03 C ATOM 849 H MET C 102 -15.850 11.263 -37.625 1.00 0.00 H ATOM 850 N ILE C 103 -14.806 12.439 -34.782 1.00 16.91 N ATOM 851 CA ILE C 103 -14.432 13.382 -33.737 1.00 16.54 C ATOM 852 C ILE C 103 -15.655 13.961 -33.013 1.00 18.51 C ATOM 853 O ILE C 103 -15.680 14.008 -31.776 1.00 19.30 O ATOM 854 CB ILE C 103 -13.538 14.519 -34.298 1.00 17.03 C ATOM 855 CG1 ILE C 103 -12.211 13.950 -34.828 1.00 16.33 C ATOM 856 CG2 ILE C 103 -13.294 15.580 -33.236 1.00 18.06 C ATOM 857 CD1 ILE C 103 -11.349 14.970 -35.564 1.00 18.17 C ATOM 858 H ILE C 103 -14.602 12.665 -35.777 1.00 0.00 H ATOM 859 N TYR C 104 -16.668 14.373 -33.781 1.00 18.17 N ATOM 860 CA TYR C 104 -17.856 15.028 -33.231 1.00 17.72 C ATOM 861 C TYR C 104 -18.587 14.128 -32.209 1.00 19.55 C ATOM 862 O TYR C 104 -19.102 14.612 -31.194 1.00 19.15 O ATOM 863 CB TYR C 104 -18.827 15.393 -34.365 1.00 18.17 C ATOM 864 CG TYR C 104 -18.455 16.587 -35.241 1.00 17.93 C ATOM 865 CD1 TYR C 104 -17.655 17.634 -34.758 1.00 19.73 C ATOM 866 CD2 TYR C 104 -18.944 16.684 -36.550 1.00 22.25 C ATOM 867 CE1 TYR C 104 -17.346 18.737 -35.550 1.00 23.82 C ATOM 868 CE2 TYR C 104 -18.630 17.780 -37.360 1.00 22.48 C ATOM 869 CZ TYR C 104 -17.828 18.807 -36.852 1.00 22.32 C ATOM 870 OH TYR C 104 -17.501 19.922 -37.636 1.00 31.68 O ATOM 871 HH TYR C 104 -16.931 20.537 -37.111 1.00 0.00 H ATOM 872 H TYR C 104 -16.610 14.223 -34.808 1.00 0.00 H ATOM 873 N ARG C 105 -18.619 12.829 -32.484 1.00 18.15 N ATOM 874 CA ARG C 105 -19.232 11.832 -31.577 1.00 21.97 C ATOM 875 C ARG C 105 -18.566 11.817 -30.198 1.00 18.54 C ATOM 876 O ARG C 105 -19.152 11.356 -29.199 1.00 19.88 O ATOM 877 CB ARG C 105 -19.121 10.424 -32.188 1.00 25.28 C ATOM 878 CG ARG C 105 -20.052 10.175 -33.352 1.00 30.99 C ATOM 879 CD ARG C 105 -20.016 8.717 -33.781 1.00 42.70 C ATOM 880 NE ARG C 105 -21.127 8.438 -34.686 1.00 56.85 N ATOM 881 CZ ARG C 105 -20.996 8.155 -35.978 1.00 56.13 C ATOM 882 NH1 ARG C 105 -19.790 8.078 -36.530 1.00 65.95 N ATOM 883 NH2 ARG C 105 -22.073 7.929 -36.714 1.00 60.01 N ATOM 884 HE ARG C 105 -22.089 8.462 -34.292 1.00 0.00 H ATOM 885 HH12 ARG C 105 -19.694 7.856 -37.542 1.00 0.00 H ATOM 886 HH11 ARG C 105 -18.942 8.240 -35.951 1.00 0.00 H ATOM 887 HH22 ARG C 105 -21.975 7.707 -37.725 1.00 0.00 H ATOM 888 HH21 ARG C 105 -23.017 7.973 -36.281 1.00 0.00 H ATOM 889 H ARG C 105 -18.195 12.498 -33.374 1.00 0.00 H ATOM 890 N ASN C 106 -17.330 12.311 -30.161 1.00 17.29 N ATOM 891 CA ASN C 106 -16.532 12.307 -28.942 1.00 15.83 C ATOM 892 C ASN C 106 -16.389 13.658 -28.253 1.00 16.03 C ATOM 893 O ASN C 106 -15.505 13.841 -27.400 1.00 17.15 O ATOM 894 CB ASN C 106 -15.177 11.682 -29.248 1.00 16.87 C ATOM 895 CG ASN C 106 -15.289 10.191 -29.466 1.00 20.82 C ATOM 896 OD1 ASN C 106 -15.351 9.426 -28.503 1.00 24.98 O ATOM 897 ND2 ASN C 106 -15.296 9.769 -30.724 1.00 22.45 N ATOM 898 HD22 ASN C 106 -15.242 10.456 -31.503 1.00 0.00 H ATOM 899 HD21 ASN C 106 -15.356 8.752 -30.931 1.00 0.00 H ATOM 900 H ASN C 106 -16.922 12.712 -31.029 1.00 0.00 H ATOM 901 N LEU C 107 -17.242 14.605 -28.668 1.00 17.46 N ATOM 902 CA LEU C 107 -17.273 15.996 -28.165 1.00 17.36 C ATOM 903 C LEU C 107 -18.689 16.377 -27.689 1.00 17.50 C ATOM 904 O LEU C 107 -19.666 15.715 -28.066 1.00 17.94 O ATOM 905 CB LEU C 107 -16.826 16.996 -29.257 1.00 17.68 C ATOM 906 CG LEU C 107 -15.399 16.875 -29.811 1.00 17.69 C ATOM 907 CD1 LEU C 107 -15.211 17.721 -31.065 1.00 18.54 C ATOM 908 CD2 LEU C 107 -14.357 17.236 -28.755 1.00 18.78 C ATOM 909 H LEU C 107 -17.934 14.342 -29.398 1.00 0.00 H ATOM 910 N VAL C 108 -18.776 17.418 -26.848 1.00 17.05 N ATOM 911 CA VAL C 108 -20.005 18.139 -26.568 1.00 16.66 C ATOM 912 C VAL C 108 -19.746 19.595 -26.901 1.00 15.51 C ATOM 913 O VAL C 108 -18.711 20.154 -26.522 1.00 16.79 O ATOM 914 CB VAL C 108 -20.393 17.951 -25.078 1.00 21.77 C ATOM 915 CG1 VAL C 108 -21.468 18.908 -24.623 1.00 26.28 C ATOM 916 CG2 VAL C 108 -20.830 16.502 -24.874 1.00 24.42 C ATOM 917 H VAL C 108 -17.908 17.729 -26.366 1.00 0.00 H ATOM 918 N VAL C 109 -20.655 20.209 -27.658 1.00 14.23 N ATOM 919 CA VAL C 109 -20.508 21.633 -27.970 1.00 14.77 C ATOM 920 C VAL C 109 -20.864 22.485 -26.752 1.00 14.30 C ATOM 921 O VAL C 109 -21.844 22.209 -26.058 1.00 17.66 O ATOM 922 CB VAL C 109 -21.334 22.033 -29.221 1.00 14.06 C ATOM 923 CG1 VAL C 109 -21.204 23.523 -29.506 1.00 15.18 C ATOM 924 CG2 VAL C 109 -20.923 21.205 -30.438 1.00 17.76 C ATOM 925 H VAL C 109 -21.469 19.677 -28.027 1.00 0.00 H ATOM 926 N VAL C 110 -20.081 23.534 -26.493 1.00 15.80 N ATOM 927 CA VAL C 110 -20.366 24.407 -25.344 1.00 18.46 C ATOM 928 C VAL C 110 -20.543 25.840 -25.782 1.00 18.20 C ATOM 929 O VAL C 110 -20.225 26.182 -26.921 1.00 21.79 O ATOM 930 CB VAL C 110 -19.311 24.291 -24.229 1.00 22.29 C ATOM 931 CG1 VAL C 110 -19.238 22.859 -23.729 1.00 26.56 C ATOM 932 CG2 VAL C 110 -17.966 24.722 -24.755 1.00 21.62 C ATOM 933 H VAL C 110 -19.266 23.735 -27.106 1.00 0.00 H ATOM 934 N ASN C 111 -21.068 26.656 -24.875 1.00 20.46 N ATOM 935 CA ASN C 111 -21.319 28.079 -25.124 1.00 25.62 C ATOM 936 C ASN C 111 -20.099 28.886 -25.515 1.00 26.55 C ATOM 937 O ASN C 111 -19.014 28.708 -24.932 1.00 30.51 O ATOM 938 CB ASN C 111 -21.885 28.740 -23.864 1.00 33.45 C ATOM 939 CG ASN C 111 -23.106 28.033 -23.333 1.00 47.19 C ATOM 940 OD1 ASN C 111 -23.018 26.910 -22.823 1.00 67.46 O ATOM 941 ND2 ASN C 111 -24.259 28.690 -23.436 1.00 59.47 N ATOM 942 HD22 ASN C 111 -24.283 29.633 -23.873 1.00 0.00 H ATOM 943 HD21 ASN C 111 -25.136 28.260 -23.079 1.00 0.00 H ATOM 944 H ASN C 111 -21.313 26.266 -23.942 1.00 0.00 H ATOM 945 N GLN C 112 -20.329 29.771 -26.488 1.00 33.87 N ATOM 946 CA GLN C 112 -19.540 30.981 -26.827 1.00 43.82 C ATOM 947 C GLN C 112 -18.810 30.889 -28.150 1.00 50.47 C ATOM 948 O GLN C 112 -19.447 30.711 -29.193 1.00 57.71 O ATOM 949 CB GLN C 112 -18.640 31.471 -25.692 1.00 46.90 C ATOM 950 CG GLN C 112 -19.419 32.241 -24.635 1.00 50.84 C ATOM 951 CD GLN C 112 -18.549 32.708 -23.486 1.00 67.99 C ATOM 952 OE1 GLN C 112 -17.607 32.021 -23.078 1.00 75.78 O ATOM 953 NE2 GLN C 112 -18.865 33.882 -22.949 1.00 78.51 N ATOM 954 HE22 GLN C 112 -19.667 34.427 -23.325 1.00 0.00 H ATOM 955 HE21 GLN C 112 -18.310 34.256 -22.153 1.00 0.00 H ATOM 956 H GLN C 112 -21.164 29.590 -27.081 1.00 0.00 H TER 957 GLN C 112 HETATM 958 O HOH 1 -22.309 29.457 -28.347 1.00 36.33 O HETATM 959 O HOH 2 -24.600 34.750 -32.801 1.00 22.91 O HETATM 960 O HOH 3 -15.847 32.341 -32.488 1.00 35.73 O HETATM 961 O HOH 4 -12.971 27.023 -39.683 1.00 36.00 O HETATM 962 O HOH 5 -20.121 14.293 -22.062 1.00 46.95 O HETATM 963 O HOH 6 -11.208 22.187 -37.021 1.00 25.98 O HETATM 964 O HOH 7 -18.386 22.541 -35.008 1.00 33.37 O HETATM 965 O HOH 8 -17.832 28.625 -29.954 1.00 32.32 O HETATM 966 O HOH 9 -19.384 25.524 -36.014 1.00 36.76 O HETATM 967 O HOH 10 -19.335 26.794 -29.488 1.00 23.16 O HETATM 968 O HOH 11 -18.032 16.155 -22.732 1.00 29.82 O HETATM 969 O HOH 12 -19.602 17.918 -21.125 1.00 44.71 O HETATM 970 O HOH 13 -22.799 22.368 -23.440 1.00 29.03 O HETATM 971 O HOH 14 -13.768 17.831 -21.308 1.00 31.26 O HETATM 972 O HOH 15 -14.938 14.211 -20.449 1.00 30.85 O HETATM 973 O HOH 16 -14.429 10.309 -26.013 1.00 22.95 O HETATM 974 O HOH 17 -15.735 8.636 -23.870 1.00 26.00 O HETATM 975 O HOH 18 -10.737 11.534 -19.279 1.00 33.50 O HETATM 976 O HOH 19 -19.371 11.510 -21.120 1.00 64.29 O HETATM 977 O HOH 20 -3.993 10.827 -20.382 1.00 32.14 O HETATM 978 O HOH 21 -1.753 16.636 -19.720 1.00 27.90 O HETATM 979 O HOH 22 2.934 12.585 -25.280 1.00 29.96 O HETATM 980 O HOH 23 0.182 9.521 -26.016 1.00 27.68 O HETATM 981 O HOH 24 1.793 21.338 -22.170 1.00 43.85 O HETATM 982 O HOH 25 -4.244 22.727 -22.155 1.00 38.33 O HETATM 983 O HOH 26 -5.564 15.743 -48.970 1.00 42.78 O HETATM 984 O HOH 27 -8.119 27.832 -31.481 1.00 31.80 O HETATM 985 O HOH 28 -18.014 20.675 -32.999 1.00 34.45 O HETATM 986 O HOH 29 -4.415 24.134 -26.963 1.00 34.33 O HETATM 987 O HOH 30 8.100 9.015 -31.277 1.00 22.77 O HETATM 988 O HOH 31 2.467 10.665 -27.210 1.00 28.01 O HETATM 989 O HOH 32 3.174 3.955 -30.930 1.00 36.46 O HETATM 990 O HOH 33 4.352 4.825 -28.578 1.00 43.79 O HETATM 991 O HOH 34 3.452 2.629 -35.073 1.00 31.39 O HETATM 992 O HOH 35 5.470 1.853 -44.972 1.00 23.78 O HETATM 993 O HOH 36 7.345 8.736 -47.410 1.00 43.76 O HETATM 994 O HOH 37 3.432 10.135 -48.131 1.00 24.89 O HETATM 995 O HOH 38 0.945 9.545 -49.660 1.00 34.75 O HETATM 996 O HOH 39 -2.413 0.831 -32.531 1.00 21.32 O HETATM 997 O HOH 40 -8.940 -2.596 -34.528 1.00 31.42 O HETATM 998 O HOH 41 -9.278 -0.145 -33.214 1.00 23.62 O HETATM 999 O HOH 42 -9.500 -0.013 -41.611 1.00 33.72 O HETATM 1000 O HOH 43 -11.445 3.786 -41.897 1.00 35.72 O HETATM 1001 O HOH 44 -10.721 5.982 -44.081 1.00 35.40 O HETATM 1002 O HOH 45 -7.963 7.920 -49.219 1.00 43.10 O HETATM 1003 O HOH 46 -9.233 15.093 -48.948 1.00 47.34 O HETATM 1004 O HOH 47 -14.888 11.302 -45.820 1.00 34.39 O HETATM 1005 O HOH 48 -14.552 14.023 -47.250 1.00 40.09 O HETATM 1006 O HOH 49 -5.947 15.758 -46.061 1.00 25.12 O HETATM 1007 O HOH 50 -20.985 12.596 -35.645 1.00 31.93 O HETATM 1008 O HOH 51 -16.474 18.915 -41.726 1.00 46.88 O HETATM 1009 O HOH 52 -17.215 7.361 -35.787 1.00 34.94 O HETATM 1010 O HOH 53 -17.001 31.056 -30.035 1.00 37.80 O HETATM 1011 O HOH 54 6.202 11.318 -47.232 1.00 45.21 O HETATM 1012 O HOH 55 4.812 17.606 -46.824 1.00 30.24 O HETATM 1013 O HOH 56 -11.110 23.160 -43.756 1.00 57.18 O HETATM 1014 C ACE A 57 5.424 13.033 -49.745 1.00 0.18 C HETATM 1015 O ACE A 57 6.276 13.663 -49.099 1.00 -0.40 O HETATM 1016 CH3 ACE A 57 5.840 11.878 -50.659 1.00 0.03 C HETATM 1017 H1 ACE A 57 4.947 11.451 -51.140 1.00 0.05 H HETATM 1018 H2 ACE A 57 6.342 11.102 -50.063 1.00 0.05 H HETATM 1019 H3 ACE A 57 6.529 12.251 -51.431 1.00 0.05 H HETATM 1020 N ACE A 57 4.123 13.316 -49.703 1.00 -0.26 N HETATM 1021 CA ACE A 57 3.583 14.331 -48.801 1.00 0.16 C HETATM 1022 C ACE A 57 3.647 13.841 -47.350 1.00 0.21 C HETATM 1023 O ACE A 57 3.385 12.666 -47.070 1.00 -0.39 O HETATM 1024 N ACE A 57 4.038 14.729 -46.435 1.00 -0.26 N HETATM 1025 CA ACE A 57 4.132 14.375 -45.019 1.00 0.15 C HETATM 1026 C ACE A 57 2.739 14.199 -44.418 1.00 0.21 C HETATM 1027 O ACE A 57 1.741 14.829 -44.847 1.00 -0.39 O HETATM 1028 N ACE A 57 2.674 13.352 -43.409 1.00 -0.26 N HETATM 1029 CA ACE A 57 1.461 13.274 -42.598 1.00 0.14 C HETATM 1030 C ACE A 57 1.054 14.668 -42.100 1.00 0.20 C HETATM 1031 O ACE A 57 -0.097 15.068 -42.159 1.00 -0.39 O HETATM 1032 NAC ACE A 57 2.083 15.458 -41.594 1.00 -0.27 N HETATM 1033 CAQ ACE A 57 1.853 16.803 -41.027 1.00 0.13 C HETATM 1034 CAG ACE A 57 1.059 17.610 -42.050 1.00 0.23 C HETATM 1035 OAE ACE A 57 0.016 18.242 -41.806 1.00 -0.34 O HETATM 1036 N ACE A 57 1.508 17.553 -43.384 1.00 -0.26 N HETATM 1037 CA ACE A 57 0.855 18.357 -44.428 1.00 0.13 C HETATM 1038 C ACE A 57 -0.568 17.859 -44.756 1.00 0.20 C HETATM 1039 O ACE A 57 -1.478 18.676 -44.949 1.00 -0.39 O HETATM 1040 N ACE A 57 -0.780 16.533 -44.776 1.00 -0.26 N HETATM 1041 CA ACE A 57 -2.128 15.986 -44.990 1.00 0.14 C HETATM 1042 C ACE A 57 -3.078 16.427 -43.875 1.00 0.21 C HETATM 1043 O ACE A 57 -4.244 16.798 -44.124 1.00 -0.39 O HETATM 1044 N ACE A 57 -2.598 16.374 -42.638 1.00 -0.26 N HETATM 1045 CA ACE A 57 -3.480 16.670 -41.503 1.00 0.13 C HETATM 1046 C ACE A 57 -3.792 18.167 -41.429 1.00 0.20 C HETATM 1047 O ACE A 57 -4.921 18.579 -41.133 1.00 -0.39 O HETATM 1048 NAC ACE A 57 -2.747 19.070 -41.870 1.00 -0.27 N HETATM 1049 CAQ ACE A 57 -2.924 20.545 -41.959 1.00 0.13 C HETATM 1050 CAG ACE A 57 -4.130 20.928 -42.787 1.00 0.23 C HETATM 1051 OAE ACE A 57 -4.847 21.910 -42.529 1.00 -0.34 O HETATM 1052 N ACE A 57 -4.525 19.941 -43.859 1.00 -0.26 N HETATM 1053 CA ACE A 57 -5.667 20.194 -44.773 1.00 0.13 C HETATM 1054 C ACE A 57 -7.044 19.861 -44.188 1.00 0.20 C HETATM 1055 O ACE A 57 -8.051 20.109 -44.847 1.00 -0.39 O HETATM 1056 N ACE A 57 -7.086 19.312 -42.971 1.00 -0.26 N HETATM 1057 CA ACE A 57 -8.365 19.159 -42.233 1.00 0.13 C HETATM 1058 C ACE A 57 -8.855 20.491 -41.620 1.00 0.21 C HETATM 1059 O ACE A 57 -9.951 20.949 -41.954 1.00 -0.39 O HETATM 1060 N ACE A 57 -8.066 21.098 -40.695 1.00 -0.26 N HETATM 1061 CA ACE A 57 -8.475 22.422 -40.231 1.00 0.10 C HETATM 1062 C ACE A 57 -8.117 23.512 -41.249 1.00 0.06 C HETATM 1063 O ACE A 57 -8.958 24.319 -41.604 1.00 -0.57 O HETATM 1064 OXT ACE A 57 -6.990 23.576 -41.707 1.00 -0.57 O HETATM 1065 CB ACE A 57 -7.687 22.613 -38.922 1.00 -0.02 C HETATM 1066 CG ACE A 57 -6.523 21.688 -39.012 1.00 -0.03 C HETATM 1067 CD ACE A 57 -6.929 20.559 -39.916 1.00 0.04 C HETATM 1068 H99 ACE A 57 -6.100 20.277 -40.582 1.00 0.05 H HETATM 1069 H100 ACE A 57 -7.241 19.683 -39.328 1.00 0.05 H HETATM 1070 H97 ACE A 57 -6.270 21.301 -38.014 1.00 0.03 H HETATM 1071 H98 ACE A 57 -5.654 22.215 -39.432 1.00 0.03 H HETATM 1072 H95 ACE A 57 -8.315 22.356 -38.056 1.00 0.03 H HETATM 1073 H96 ACE A 57 -7.343 23.654 -38.830 1.00 0.03 H HETATM 1074 H94 ACE A 57 -9.558 22.447 -40.040 1.00 0.07 H HETATM 1075 CB ACE A 57 -8.256 18.098 -41.134 1.00 -0.01 C HETATM 1076 CG ACE A 57 -8.324 16.629 -41.480 1.00 -0.04 C HETATM 1077 CD1 ACE A 57 -7.986 15.852 -40.222 1.00 -0.06 C HETATM 1078 H88 ACE A 57 -8.025 14.774 -40.435 1.00 0.02 H HETATM 1079 H89 ACE A 57 -8.713 16.096 -39.434 1.00 0.02 H HETATM 1080 H90 ACE A 57 -6.974 16.122 -39.885 1.00 0.02 H HETATM 1081 CD2 ACE A 57 -9.717 16.263 -41.949 1.00 -0.06 C HETATM 1082 H91 ACE A 57 -9.957 16.829 -42.861 1.00 0.02 H HETATM 1083 H92 ACE A 57 -10.445 16.509 -41.162 1.00 0.02 H HETATM 1084 H93 ACE A 57 -9.760 15.185 -42.164 1.00 0.02 H HETATM 1085 H87 ACE A 57 -7.598 16.397 -42.273 1.00 0.03 H HETATM 1086 H85 ACE A 57 -9.074 18.293 -40.425 1.00 0.03 H HETATM 1087 H86 ACE A 57 -7.290 18.260 -40.634 1.00 0.03 H HETATM 1088 H84 ACE A 57 -9.123 18.823 -42.955 1.00 0.08 H HETATM 1089 H83 ACE A 57 -6.237 18.997 -42.547 1.00 0.19 H HETATM 1090 CB ACE A 57 -5.456 19.452 -46.083 1.00 -0.01 C HETATM 1091 CG ACE A 57 -4.227 19.862 -46.875 1.00 -0.04 C HETATM 1092 CD1 ACE A 57 -4.141 18.944 -48.083 1.00 -0.06 C HETATM 1093 H77 ACE A 57 -3.259 19.211 -48.684 1.00 0.02 H HETATM 1094 H78 ACE A 57 -5.049 19.056 -48.694 1.00 0.02 H HETATM 1095 H79 ACE A 57 -4.052 17.901 -47.745 1.00 0.02 H HETATM 1096 CD2 ACE A 57 -4.330 21.325 -47.296 1.00 -0.06 C HETATM 1097 H80 ACE A 57 -4.390 21.961 -46.400 1.00 0.02 H HETATM 1098 H81 ACE A 57 -5.232 21.468 -47.908 1.00 0.02 H HETATM 1099 H82 ACE A 57 -3.441 21.601 -47.883 1.00 0.02 H HETATM 1100 H76 ACE A 57 -3.328 19.734 -46.254 1.00 0.03 H HETATM 1101 H74 ACE A 57 -6.340 19.623 -46.716 1.00 0.03 H HETATM 1102 H75 ACE A 57 -5.370 18.379 -45.855 1.00 0.03 H HETATM 1103 H73 ACE A 57 -5.667 21.272 -44.994 1.00 0.08 H HETATM 1104 H72 ACE A 57 -4.003 19.094 -43.956 1.00 0.19 H HETATM 1105 CAA ACE A 57 -1.678 21.105 -42.639 1.00 -0.03 C HETATM 1106 H61 ACE A 57 -0.788 20.837 -42.051 1.00 0.02 H HETATM 1107 H62 ACE A 57 -1.757 22.200 -42.705 1.00 0.02 H HETATM 1108 H63 ACE A 57 -1.591 20.682 -43.651 1.00 0.02 H HETATM 1109 CAO ACE A 57 -3.135 21.090 -40.553 1.00 -0.02 C HETATM 1110 CAM ACE A 57 -1.866 20.896 -39.734 1.00 -0.04 C HETATM 1111 CAK ACE A 57 -2.232 20.333 -38.387 1.00 -0.04 C HETATM 1112 CAI ACE A 57 -1.048 20.337 -37.449 1.00 -0.10 C HETATM 1113 CAI ACE A 57 -0.227 19.275 -37.236 1.00 -0.10 C HETATM 1114 CAK ACE A 57 -0.208 17.958 -37.982 1.00 -0.04 C HETATM 1115 CAM ACE A 57 1.015 17.990 -38.892 1.00 -0.04 C HETATM 1116 CAO ACE A 57 1.086 16.691 -39.707 1.00 -0.02 C HETATM 1117 H29 ACE A 57 1.578 15.926 -39.089 1.00 0.03 H HETATM 1118 H30 ACE A 57 0.058 16.373 -39.934 1.00 0.03 H HETATM 1119 H31 ACE A 57 0.939 18.848 -39.577 1.00 0.03 H HETATM 1120 H32 ACE A 57 1.924 18.088 -38.280 1.00 0.03 H HETATM 1121 H33 ACE A 57 -0.131 17.121 -37.272 1.00 0.04 H HETATM 1122 H34 ACE A 57 -1.124 17.848 -38.581 1.00 0.04 H HETATM 1123 H35 ACE A 57 0.502 19.384 -36.435 1.00 0.04 H HETATM 1124 H71 ACE A 57 -0.837 21.256 -36.905 1.00 0.04 H HETATM 1125 H69 ACE A 57 -2.584 19.299 -38.515 1.00 0.04 H HETATM 1126 H70 ACE A 57 -3.037 20.943 -37.950 1.00 0.04 H HETATM 1127 H67 ACE A 57 -1.360 21.864 -39.604 1.00 0.03 H HETATM 1128 H68 ACE A 57 -1.194 20.198 -40.255 1.00 0.03 H HETATM 1129 H65 ACE A 57 -3.966 20.553 -40.073 1.00 0.03 H HETATM 1130 H66 ACE A 57 -3.375 22.162 -40.608 1.00 0.03 H HETATM 1131 H64 ACE A 57 -1.862 18.682 -42.127 1.00 0.18 H HETATM 1132 CB ACE A 57 -2.828 16.211 -40.216 1.00 0.00 C HETATM 1133 CG ACE A 57 -3.776 16.125 -39.039 1.00 -0.04 C HETATM 1134 CD1 ACE A 57 -3.885 17.022 -37.976 1.00 0.02 C HETATM 1135 NE1 ACE A 57 -4.874 16.593 -37.121 1.00 -0.29 N HETATM 1136 CE2 ACE A 57 -5.382 15.397 -37.570 1.00 0.06 C HETATM 1137 CD2 ACE A 57 -4.720 15.079 -38.776 1.00 -0.02 C HETATM 1138 CE3 ACE A 57 -5.059 13.892 -39.444 1.00 -0.07 C HETATM 1139 CZ3 ACE A 57 -6.061 13.068 -38.907 1.00 -0.08 C HETATM 1140 CH2 ACE A 57 -6.709 13.416 -37.695 1.00 -0.08 C HETATM 1141 CZ2 ACE A 57 -6.392 14.577 -37.028 1.00 -0.04 C HETATM 1142 H58 ACE A 57 -6.904 14.853 -36.113 1.00 0.05 H HETATM 1143 H60 ACE A 57 -7.467 12.757 -37.287 1.00 0.05 H HETATM 1144 H59 ACE A 57 -6.342 12.157 -39.424 1.00 0.05 H HETATM 1145 H57 ACE A 57 -4.554 13.615 -40.362 1.00 0.05 H HETATM 1146 H56 ACE A 57 -5.186 17.091 -36.275 1.00 0.22 H HETATM 1147 H55 ACE A 57 -3.283 17.920 -37.844 1.00 0.08 H HETATM 1148 H53 ACE A 57 -2.026 16.921 -39.963 1.00 0.04 H HETATM 1149 H54 ACE A 57 -2.395 15.214 -40.385 1.00 0.04 H HETATM 1150 H52 ACE A 57 -4.424 16.121 -41.638 1.00 0.08 H HETATM 1151 H51 ACE A 57 -1.640 16.134 -42.481 1.00 0.19 H HETATM 1152 CB ACE A 57 -2.119 14.454 -45.042 1.00 0.02 C HETATM 1153 CG ACE A 57 -1.673 13.856 -46.352 1.00 -0.05 C HETATM 1154 CD1 ACE A 57 -2.401 14.068 -47.523 1.00 -0.07 C HETATM 1155 CE1 ACE A 57 -1.999 13.513 -48.722 1.00 -0.04 C HETATM 1156 CZ ACE A 57 -0.866 12.735 -48.762 1.00 0.08 C HETATM 1157 CE2 ACE A 57 -0.126 12.491 -47.620 1.00 -0.04 C HETATM 1158 CD2 ACE A 57 -0.537 13.053 -46.418 1.00 -0.07 C HETATM 1159 H47 ACE A 57 0.035 12.864 -45.517 1.00 0.05 H HETATM 1160 H49 ACE A 57 0.762 11.870 -47.662 1.00 0.05 H HETATM 1161 OH ACE A 57 -0.463 12.183 -49.959 1.00 -0.34 O HETATM 1162 H50 ACE A 57 -0.453 11.236 -49.882 1.00 0.25 H HETATM 1163 H48 ACE A 57 -2.572 13.689 -49.625 1.00 0.05 H HETATM 1164 H46 ACE A 57 -3.296 14.678 -47.491 1.00 0.05 H HETATM 1165 H44 ACE A 57 -3.141 14.101 -44.838 1.00 0.05 H HETATM 1166 H45 ACE A 57 -1.442 14.091 -44.255 1.00 0.05 H HETATM 1167 H43 ACE A 57 -2.505 16.368 -45.950 1.00 0.08 H HETATM 1168 H42 ACE A 57 -0.010 15.909 -44.644 1.00 0.19 H HETATM 1169 CB ACE A 57 1.770 18.411 -45.652 1.00 -0.00 C HETATM 1170 CG ACE A 57 1.108 19.098 -46.821 1.00 0.00 C HETATM 1171 CD ACE A 57 2.094 19.675 -47.808 1.00 0.04 C HETATM 1172 OE1 ACE A 57 3.258 19.216 -47.882 1.00 -0.57 O HETATM 1173 OE2 ACE A 57 1.685 20.608 -48.521 1.00 -0.57 O HETATM 1174 H40 ACE A 57 0.480 19.915 -46.436 1.00 0.04 H HETATM 1175 H41 ACE A 57 0.477 18.366 -47.345 1.00 0.04 H HETATM 1176 H38 ACE A 57 2.032 17.384 -45.945 1.00 0.03 H HETATM 1177 H39 ACE A 57 2.685 18.962 -45.388 1.00 0.03 H HETATM 1178 H37 ACE A 57 0.753 19.383 -44.044 1.00 0.08 H HETATM 1179 H36 ACE A 57 2.277 16.961 -43.623 1.00 0.19 H HETATM 1180 CAA ACE A 57 3.246 17.378 -40.828 1.00 -0.03 C HETATM 1181 H25 ACE A 57 3.789 16.774 -40.086 1.00 0.02 H HETATM 1182 H26 ACE A 57 3.167 18.415 -40.469 1.00 0.02 H HETATM 1183 H27 ACE A 57 3.790 17.361 -41.784 1.00 0.02 H HETATM 1184 H28 ACE A 57 3.017 15.100 -41.615 1.00 0.18 H HETATM 1185 CB ACE A 57 1.647 12.337 -41.403 1.00 0.02 C HETATM 1186 CG ACE A 57 0.528 12.462 -40.414 1.00 -0.04 C HETATM 1187 CD1 ACE A 57 -0.728 11.916 -40.704 1.00 -0.06 C HETATM 1188 CE1 ACE A 57 -1.800 12.117 -39.832 1.00 -0.07 C HETATM 1189 CZ ACE A 57 -1.634 12.891 -38.684 1.00 -0.07 C HETATM 1190 CE2 ACE A 57 -0.393 13.448 -38.400 1.00 -0.07 C HETATM 1191 CD2 ACE A 57 0.669 13.262 -39.272 1.00 -0.06 C HETATM 1192 H21 ACE A 57 1.620 13.741 -39.068 1.00 0.06 H HETATM 1193 H23 ACE A 57 -0.255 14.029 -37.495 1.00 0.06 H HETATM 1194 H24 ACE A 57 -2.471 13.058 -38.015 1.00 0.06 H HETATM 1195 H22 ACE A 57 -2.764 11.670 -40.048 1.00 0.06 H HETATM 1196 H20 ACE A 57 -0.869 11.335 -41.608 1.00 0.06 H HETATM 1197 H18 ACE A 57 2.594 12.585 -40.901 1.00 0.05 H HETATM 1198 H19 ACE A 57 1.685 11.300 -41.767 1.00 0.05 H HETATM 1199 H17 ACE A 57 0.651 12.877 -43.228 1.00 0.08 H HETATM 1200 H16 ACE A 57 3.455 12.763 -43.199 1.00 0.19 H HETATM 1201 CB ACE A 57 4.912 15.428 -44.244 1.00 0.08 C HETATM 1202 OG ACE A 57 4.218 16.667 -44.191 1.00 -0.39 O HETATM 1203 H15 ACE A 57 4.078 16.988 -45.074 1.00 0.21 H HETATM 1204 H13 ACE A 57 5.883 15.585 -44.736 1.00 0.06 H HETATM 1205 H14 ACE A 57 5.074 15.067 -43.218 1.00 0.06 H HETATM 1206 H12 ACE A 57 4.669 13.418 -44.938 1.00 0.08 H HETATM 1207 H11 ACE A 57 4.272 15.657 -46.723 1.00 0.19 H HETATM 1208 CB ACE A 57 2.144 14.689 -49.195 1.00 0.09 C HETATM 1209 OG1 ACE A 57 2.152 15.229 -50.522 1.00 -0.39 O HETATM 1210 H7 ACE A 57 1.265 15.454 -50.776 1.00 0.21 H HETATM 1211 CG2 ACE A 57 1.548 15.740 -48.238 1.00 -0.03 C HETATM 1212 H8 ACE A 57 0.518 15.975 -48.546 1.00 0.03 H HETATM 1213 H9 ACE A 57 2.158 16.654 -48.272 1.00 0.03 H HETATM 1214 H10 ACE A 57 1.542 15.341 -47.213 1.00 0.03 H HETATM 1215 H6 ACE A 57 1.524 13.781 -49.167 1.00 0.06 H HETATM 1216 H5 ACE A 57 4.200 15.237 -48.888 1.00 0.08 H HETATM 1217 H4 ACE A 57 3.498 12.820 -50.306 1.00 0.19 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1014 1015 1016 1020 CONECT 1015 1014 CONECT 1016 1014 1017 1018 1019 CONECT 1017 1016 CONECT 1018 1016 CONECT 1019 1016 CONECT 1020 1014 1021 1217 CONECT 1021 1020 1022 1208 1216 CONECT 1022 1021 1023 1024 CONECT 1023 1022 CONECT 1024 1022 1025 1207 CONECT 1025 1024 1026 1201 1206 CONECT 1026 1025 1027 1028 CONECT 1027 1026 CONECT 1028 1026 1029 1200 CONECT 1029 1028 1030 1185 1199 CONECT 1030 1029 1031 1032 CONECT 1031 1030 CONECT 1032 1030 1033 1184 CONECT 1033 1032 1034 1116 1180 CONECT 1034 1033 1035 1036 CONECT 1035 1034 CONECT 1036 1034 1037 1179 CONECT 1037 1036 1038 1169 1178 CONECT 1038 1037 1039 1040 CONECT 1039 1038 CONECT 1040 1038 1041 1168 CONECT 1041 1040 1042 1152 1167 CONECT 1042 1041 1043 1044 CONECT 1043 1042 CONECT 1044 1042 1045 1151 CONECT 1045 1044 1046 1132 1150 CONECT 1046 1045 1047 1048 CONECT 1047 1046 CONECT 1048 1046 1049 1131 CONECT 1049 1048 1050 1105 1109 CONECT 1050 1049 1051 1052 CONECT 1051 1050 CONECT 1052 1050 1053 1104 CONECT 1053 1052 1054 1090 1103 CONECT 1054 1053 1055 1056 CONECT 1055 1054 CONECT 1056 1054 1057 1089 CONECT 1057 1056 1058 1075 1088 CONECT 1058 1057 1059 1060 CONECT 1059 1058 CONECT 1060 1058 1061 1067 CONECT 1061 1060 1062 1065 1074 CONECT 1062 1061 1063 1064 CONECT 1063 1062 CONECT 1064 1062 CONECT 1065 1061 1066 1072 1073 CONECT 1066 1065 1067 1070 1071 CONECT 1067 1060 1066 1068 1069 CONECT 1068 1067 CONECT 1069 1067 CONECT 1070 1066 CONECT 1071 1066 CONECT 1072 1065 CONECT 1073 1065 CONECT 1074 1061 CONECT 1075 1057 1076 1086 1087 CONECT 1076 1075 1077 1081 1085 CONECT 1077 1076 1078 1079 1080 CONECT 1078 1077 CONECT 1079 1077 CONECT 1080 1077 CONECT 1081 1076 1082 1083 1084 CONECT 1082 1081 CONECT 1083 1081 CONECT 1084 1081 CONECT 1085 1076 CONECT 1086 1075 CONECT 1087 1075 CONECT 1088 1057 CONECT 1089 1056 CONECT 1090 1053 1091 1101 1102 CONECT 1091 1090 1092 1096 1100 CONECT 1092 1091 1093 1094 1095 CONECT 1093 1092 CONECT 1094 1092 CONECT 1095 1092 CONECT 1096 1091 1097 1098 1099 CONECT 1097 1096 CONECT 1098 1096 CONECT 1099 1096 CONECT 1100 1091 CONECT 1101 1090 CONECT 1102 1090 CONECT 1103 1053 CONECT 1104 1052 CONECT 1105 1049 1106 1107 1108 CONECT 1106 1105 CONECT 1107 1105 CONECT 1108 1105 CONECT 1109 1049 1110 1129 1130 CONECT 1110 1109 1111 1127 1128 CONECT 1111 1110 1112 1125 1126 CONECT 1112 1111 1113 1124 CONECT 1113 1112 1114 1123 CONECT 1114 1113 1115 1121 1122 CONECT 1115 1114 1116 1119 1120 CONECT 1116 1033 1115 1117 1118 CONECT 1117 1116 CONECT 1118 1116 CONECT 1119 1115 CONECT 1120 1115 CONECT 1121 1114 CONECT 1122 1114 CONECT 1123 1113 CONECT 1124 1112 CONECT 1125 1111 CONECT 1126 1111 CONECT 1127 1110 CONECT 1128 1110 CONECT 1129 1109 CONECT 1130 1109 CONECT 1131 1048 CONECT 1132 1045 1133 1148 1149 CONECT 1133 1132 1134 1137 CONECT 1134 1133 1135 1147 CONECT 1135 1134 1136 1146 CONECT 1136 1135 1137 1141 CONECT 1137 1133 1136 1138 CONECT 1138 1137 1139 1145 CONECT 1139 1138 1140 1144 CONECT 1140 1139 1141 1143 CONECT 1141 1136 1140 1142 CONECT 1142 1141 CONECT 1143 1140 CONECT 1144 1139 CONECT 1145 1138 CONECT 1146 1135 CONECT 1147 1134 CONECT 1148 1132 CONECT 1149 1132 CONECT 1150 1045 CONECT 1151 1044 CONECT 1152 1041 1153 1165 1166 CONECT 1153 1152 1154 1158 CONECT 1154 1153 1155 1164 CONECT 1155 1154 1156 1163 CONECT 1156 1155 1157 1161 CONECT 1157 1156 1158 1160 CONECT 1158 1153 1157 1159 CONECT 1159 1158 CONECT 1160 1157 CONECT 1161 1156 1162 CONECT 1162 1161 CONECT 1163 1155 CONECT 1164 1154 CONECT 1165 1152 CONECT 1166 1152 CONECT 1167 1041 CONECT 1168 1040 CONECT 1169 1037 1170 1176 1177 CONECT 1170 1169 1171 1174 1175 CONECT 1171 1170 1172 1173 CONECT 1172 1171 CONECT 1173 1171 CONECT 1174 1170 CONECT 1175 1170 CONECT 1176 1169 CONECT 1177 1169 CONECT 1178 1037 CONECT 1179 1036 CONECT 1180 1033 1181 1182 1183 CONECT 1181 1180 CONECT 1182 1180 CONECT 1183 1180 CONECT 1184 1032 CONECT 1185 1029 1186 1197 1198 CONECT 1186 1185 1187 1191 CONECT 1187 1186 1188 1196 CONECT 1188 1187 1189 1195 CONECT 1189 1188 1190 1194 CONECT 1190 1189 1191 1193 CONECT 1191 1186 1190 1192 CONECT 1192 1191 CONECT 1193 1190 CONECT 1194 1189 CONECT 1195 1188 CONECT 1196 1187 CONECT 1197 1185 CONECT 1198 1185 CONECT 1199 1029 CONECT 1200 1028 CONECT 1201 1025 1202 1204 1205 CONECT 1202 1201 1203 CONECT 1203 1202 CONECT 1204 1201 CONECT 1205 1201 CONECT 1206 1025 CONECT 1207 1024 CONECT 1208 1021 1209 1211 1215 CONECT 1209 1208 1210 CONECT 1210 1209 CONECT 1211 1208 1212 1213 1214 CONECT 1212 1211 CONECT 1213 1211 CONECT 1214 1211 CONECT 1215 1208 CONECT 1216 1021 CONECT 1217 1020 MASTER 0 0 0 0 0 0 0 0 1216 1 208 8 END
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Related entries of code: 4ue1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4ud7
RCSB PDB
PDBbind
16aa, >4UD7_2|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
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PDBbind
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PDBbind
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PDBbind
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2gph
RCSB PDB
PDBbind
16-mer
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RCSB PDB
PDBbind
16-mer
2k3w
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
16-mer
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
16-mer
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
16-mer
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RCSB PDB
PDBbind
16-mer
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
16-mer
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PDBbind
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RCSB PDB
PDBbind
16-mer
3tdu
RCSB PDB
PDBbind
16-mer
3twr
RCSB PDB
PDBbind
16-mer
3tws
RCSB PDB
PDBbind
16-mer
3twu
RCSB PDB
PDBbind
16-mer
3twv
RCSB PDB
PDBbind
16-mer
3tww
RCSB PDB
PDBbind
16-mer
3twx
RCSB PDB
PDBbind
16-mer
3v3b
RCSB PDB
PDBbind
16-mer
3zqi
RCSB PDB
PDBbind
16-mer
4a2a
RCSB PDB
PDBbind
16-mer
4a7j
RCSB PDB
PDBbind
16-mer
4edu
RCSB PDB
PDBbind
16-mer
4hs6
RCSB PDB
PDBbind
16-mer
4hs8
RCSB PDB
PDBbind
16-mer
4is6
RCSB PDB
PDBbind
16-mer
4j8r
RCSB PDB
PDBbind
16-mer
4l3o
RCSB PDB
PDBbind
16-mer
4nuf
RCSB PDB
PDBbind
16-mer
4odk
RCSB PDB
PDBbind
16-mer
4odl
RCSB PDB
PDBbind
16-mer
4odm
RCSB PDB
PDBbind
16-mer
4odp
RCSB PDB
PDBbind
16-mer
4odq
RCSB PDB
PDBbind
16-mer
4pz5
RCSB PDB
PDBbind
16-mer
4qq4
RCSB PDB
PDBbind
16-mer
4tzm
RCSB PDB
PDBbind
16-mer
4tzn
RCSB PDB
PDBbind
16-mer
4u2w
RCSB PDB
PDBbind
16-mer
4ud7
RCSB PDB
PDBbind
16-mer
4wci
RCSB PDB
PDBbind
16-mer
4wy7
RCSB PDB
PDBbind
16-mer
4yhp
RCSB PDB
PDBbind
16-mer
4zdu
RCSB PDB
PDBbind
16-mer
5eta
RCSB PDB
PDBbind
16-mer
5hhx
RCSB PDB
PDBbind
16-mer
5iay
RCSB PDB
PDBbind
16-mer
5icx
RCSB PDB
PDBbind
16-mer
5iy4
RCSB PDB
PDBbind
16-mer
5klr
RCSB PDB
PDBbind
16-mer
5klt
RCSB PDB
PDBbind
16-mer
5lvf
RCSB PDB
PDBbind
16-mer
5ly3
RCSB PDB
PDBbind
16-mer
5m9d
RCSB PDB
PDBbind
16-mer
5myk
RCSB PDB
PDBbind
16-mer
5myx
RCSB PDB
PDBbind
16-mer
5nin
RCSB PDB
PDBbind
16-mer
5njx
RCSB PDB
PDBbind
16-mer
5o4y
RCSB PDB
PDBbind
16-mer
5u2j
RCSB PDB
PDBbind
16-mer
5v1y
RCSB PDB
PDBbind
16-mer
5v6y
RCSB PDB
PDBbind
16-mer
5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
4ue1
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
1.45(Å)
Affinity (Kd/Ki/IC50)
Kd=9.9nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J Phys Chem Lett Vol. 7: pp. 3452-3457
Ligand Properties
Formula
C
7
4
H
1
0
2
N
1
2
O
1
8
Molecular Weight
1447.670
Exact Mass
1446.740
No. of atoms
206
No. of bonds
211
Polar Surface Area
462.39
LOGP Value
6.86 (
Computed with XLOGP3
)
5.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 30
No. of Rings: 6
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@]1(C)CCC/C=C\CCC[C@@](C)(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)O)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CC(C)C)CC(C)C)Cc1ccccc1)NC(=O)[C@H]([C@H](O)C)NC(=O)C
InChI String
InChI=1S/C74H102N12O18/c1-42(2)35-53(63(94)80-57(36-43(3)4)69(100)86-34-20-25-59(86)70(101)102)83-72(104)74(8)33-19-12-10-9-11-18-32-73(7,84-66(97)55(37-46-21-14-13-15-22-46)78-65(96)58(41-87)81-68(99)61(44(5)88)76-45(6)89)71(103)82-52(30-31-60(91)92)62(93)77-54(38-47-26-28-49(90)29-27-47)64(95)79-56(67(98)85-74)39-48-40-75-51-24-17-16-23-50(48)51/h9-10,13-17,21-24,26-29,40,42-44,52-59,61,75,87-88,90H,11-12,18-20,25,30-39,41H2,1-8H3,(H,76,89)(H,77,93)(H,78,96)(H,79,95)(H,80,94)(H,81,99)(H,82,103)(H,83,104)(H,84,97)(H,85,98)(H,91,92)(H,101,102)/b10-9-/t44-,52+,53+,54+,55+,56+,57+,58+,59+,61+,73-,74-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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