Browse entries in the PDBbind-CN Database
HEADER 5TRF_COMPLEX COMPND 5TRF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 58 THR ASP GLY ALA VAL THR THR SER GLN ILE PRO ALA SER SEQRES 2 A 58 GLU GLN GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU SEQRES 3 A 58 LYS LEU LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR SEQRES 4 A 58 THR MET LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE SEQRES 5 A 58 MET THR LYS ARG LEU TYR SEQRES 1 A 40 GLN HIS ILE VAL TYR CYS SER ASN ASP LEU LEU GLY ASP SEQRES 2 A 40 LEU PHE GLY VAL PRO SER PHE SER VAL LYS GLU HIS ARG SEQRES 3 A 40 LYS ILE TYR THR MET ILE TYR ARG ASN LEU VAL VAL VAL SEQRES 4 A 40 ASN HET UNN A 170 73 ATOM 1 N THR A 10 -14.121 16.020 8.572 1.00 52.30 N ATOM 2 CA THR A 10 -15.379 15.836 9.292 1.00 51.51 C ATOM 3 C THR A 10 -15.646 17.076 10.138 1.00 51.44 C ATOM 4 O THR A 10 -14.861 17.389 11.048 1.00 50.24 O ATOM 5 CB THR A 10 -15.341 14.546 10.122 1.00 61.48 C ATOM 6 OG1 THR A 10 -15.085 13.448 9.245 1.00 66.77 O ATOM 7 CG2 THR A 10 -16.636 14.296 10.906 1.00 60.86 C ATOM 8 HG1 THR A 10 -15.058 12.608 9.769 1.00 0.00 H ATOM 9 HN3 THR A 10 -13.348 16.155 9.255 1.00 0.00 H ATOM 10 HN2 THR A 10 -14.193 16.857 7.959 1.00 0.00 H ATOM 11 HN1 THR A 10 -13.929 15.179 7.991 1.00 0.00 H ATOM 12 N ASP A 11 -16.738 17.799 9.807 1.00 44.67 N ATOM 13 CA ASP A 11 -17.105 19.015 10.519 1.00 41.64 C ATOM 14 C ASP A 11 -17.877 18.676 11.778 1.00 38.30 C ATOM 15 O ASP A 11 -18.743 17.771 11.794 1.00 37.78 O ATOM 16 CB ASP A 11 -17.898 19.995 9.640 1.00 44.85 C ATOM 17 CG ASP A 11 -17.775 21.471 10.037 1.00 60.75 C ATOM 18 OD1 ASP A 11 -17.342 21.755 11.191 1.00 59.91 O ATOM 19 OD2 ASP A 11 -18.107 22.343 9.197 1.00 71.23 O ATOM 20 H ASP A 11 -17.335 17.477 9.019 1.00 0.00 H ATOM 21 N GLY A 12 -17.553 19.427 12.816 1.00 27.64 N ATOM 22 CA GLY A 12 -18.142 19.261 14.129 1.00 26.06 C ATOM 23 C GLY A 12 -17.640 20.255 15.148 1.00 25.59 C ATOM 24 O GLY A 12 -16.847 21.159 14.844 1.00 23.83 O ATOM 25 H GLY A 12 -16.841 20.173 12.684 1.00 0.00 H ATOM 26 N ALA A 13 -18.112 20.084 16.374 1.00 20.10 N ATOM 27 CA ALA A 13 -17.757 20.976 17.477 1.00 18.87 C ATOM 28 C ALA A 13 -17.716 20.201 18.757 1.00 19.12 C ATOM 29 O ALA A 13 -18.451 19.225 18.911 1.00 20.83 O ATOM 30 CB ALA A 13 -18.793 22.105 17.577 1.00 19.91 C ATOM 31 H ALA A 13 -18.757 19.289 16.558 1.00 0.00 H ATOM 32 N VAL A 14 -16.885 20.625 19.680 1.00 13.73 N ATOM 33 CA VAL A 14 -16.827 19.953 20.962 1.00 13.69 C ATOM 34 C VAL A 14 -16.825 21.021 22.038 1.00 18.26 C ATOM 35 O VAL A 14 -16.107 22.014 21.935 1.00 16.48 O ATOM 36 CB VAL A 14 -15.670 18.918 21.076 1.00 16.34 C ATOM 37 CG1 VAL A 14 -14.303 19.576 20.981 1.00 14.84 C ATOM 38 CG2 VAL A 14 -15.796 18.074 22.342 1.00 16.16 C ATOM 39 H VAL A 14 -16.269 21.442 19.491 1.00 0.00 H ATOM 40 N THR A 15 -17.705 20.846 23.038 1.00 17.20 N ATOM 41 CA THR A 15 -17.845 21.822 24.117 1.00 17.25 C ATOM 42 C THR A 15 -17.539 21.176 25.451 1.00 21.20 C ATOM 43 O THR A 15 -17.692 19.966 25.622 1.00 19.06 O ATOM 44 CB THR A 15 -19.249 22.465 24.116 1.00 24.12 C ATOM 45 OG1 THR A 15 -20.242 21.495 24.448 1.00 25.88 O ATOM 46 CG2 THR A 15 -19.592 23.127 22.798 1.00 21.63 C ATOM 47 HG1 THR A 15 -20.056 21.129 25.349 1.00 0.00 H ATOM 48 H THR A 15 -18.302 19.994 23.045 1.00 0.00 H ATOM 49 N THR A 16 -17.140 22.009 26.406 1.00 18.55 N ATOM 50 CA THR A 16 -16.819 21.620 27.775 1.00 18.31 C ATOM 51 C THR A 16 -17.580 22.488 28.800 1.00 23.03 C ATOM 52 O THR A 16 -17.849 23.666 28.545 1.00 22.77 O ATOM 53 CB THR A 16 -15.300 21.760 27.981 1.00 20.65 C ATOM 54 OG1 THR A 16 -15.016 21.463 29.336 1.00 17.48 O ATOM 55 CG2 THR A 16 -14.764 23.170 27.637 1.00 18.15 C ATOM 56 HG1 THR A 16 -14.042 21.546 29.494 1.00 0.00 H ATOM 57 H THR A 16 -17.050 23.015 26.159 1.00 0.00 H ATOM 58 N SER A 17 -17.855 21.921 29.979 1.00 20.33 N ATOM 59 CA SER A 17 -18.498 22.614 31.089 1.00 21.42 C ATOM 60 C SER A 17 -17.493 23.534 31.809 1.00 21.91 C ATOM 61 O SER A 17 -17.914 24.372 32.592 1.00 22.04 O ATOM 62 CB SER A 17 -19.089 21.603 32.072 1.00 27.00 C ATOM 63 OG SER A 17 -18.041 20.855 32.673 1.00 37.30 O ATOM 64 HG SER A 17 -18.426 20.201 33.309 1.00 0.00 H ATOM 65 H SER A 17 -17.594 20.923 30.113 1.00 0.00 H ATOM 66 N GLN A 18 -16.175 23.388 31.533 1.00 16.64 N ATOM 67 CA GLN A 18 -15.115 24.183 32.180 1.00 16.08 C ATOM 68 C GLN A 18 -14.960 25.611 31.604 1.00 19.52 C ATOM 69 O GLN A 18 -14.276 26.440 32.202 1.00 20.27 O ATOM 70 CB GLN A 18 -13.754 23.458 32.086 1.00 15.53 C ATOM 71 CG GLN A 18 -13.709 22.027 32.715 1.00 16.03 C ATOM 72 CD GLN A 18 -12.301 21.432 32.642 1.00 25.20 C ATOM 73 OE1 GLN A 18 -11.272 22.137 32.613 1.00 20.14 O ATOM 74 NE2 GLN A 18 -12.203 20.132 32.565 1.00 16.04 N ATOM 75 HE22 GLN A 18 -13.060 19.544 32.589 1.00 0.00 H ATOM 76 HE21 GLN A 18 -11.268 19.685 32.480 1.00 0.00 H ATOM 77 H GLN A 18 -15.896 22.677 30.827 1.00 0.00 H ATOM 78 N ILE A 19 -15.538 25.883 30.430 1.00 16.21 N ATOM 79 CA ILE A 19 -15.409 27.185 29.746 1.00 14.34 C ATOM 80 C ILE A 19 -16.825 27.749 29.560 1.00 20.12 C ATOM 81 O ILE A 19 -17.727 26.956 29.252 1.00 18.09 O ATOM 82 CB ILE A 19 -14.669 27.030 28.374 1.00 14.60 C ATOM 83 CG1 ILE A 19 -13.289 26.298 28.484 1.00 13.18 C ATOM 84 CG2 ILE A 19 -14.542 28.365 27.594 1.00 15.22 C ATOM 85 CD1 ILE A 19 -12.125 27.023 29.287 1.00 16.20 C ATOM 86 H ILE A 19 -16.107 25.140 29.976 1.00 0.00 H ATOM 87 N PRO A 20 -17.050 29.085 29.666 1.00 19.08 N ATOM 88 CA PRO A 20 -18.423 29.598 29.492 1.00 20.57 C ATOM 89 C PRO A 20 -18.930 29.293 28.088 1.00 22.92 C ATOM 90 O PRO A 20 -18.154 29.277 27.124 1.00 20.09 O ATOM 91 CB PRO A 20 -18.268 31.104 29.731 1.00 22.82 C ATOM 92 CG PRO A 20 -17.048 31.228 30.577 1.00 26.55 C ATOM 93 CD PRO A 20 -16.125 30.172 30.067 1.00 20.91 C ATOM 94 N ALA A 21 -20.215 28.983 27.986 1.00 20.58 N ATOM 95 CA ALA A 21 -20.860 28.615 26.717 1.00 20.92 C ATOM 96 C ALA A 21 -20.624 29.665 25.633 1.00 23.67 C ATOM 97 O ALA A 21 -20.222 29.324 24.525 1.00 21.43 O ATOM 98 CB ALA A 21 -22.372 28.420 26.935 1.00 23.42 C ATOM 99 H ALA A 21 -20.797 29.001 28.848 1.00 0.00 H ATOM 100 N SER A 22 -20.837 30.954 25.963 1.00 21.47 N ATOM 101 CA SER A 22 -20.671 32.054 25.013 1.00 21.90 C ATOM 102 C SER A 22 -19.224 32.196 24.543 1.00 23.95 C ATOM 103 O SER A 22 -19.000 32.523 23.375 1.00 23.26 O ATOM 104 CB SER A 22 -21.188 33.361 25.620 1.00 28.23 C ATOM 105 OG SER A 22 -20.734 34.477 24.875 1.00 43.12 O ATOM 106 HG SER A 22 -21.080 35.309 25.285 1.00 0.00 H ATOM 107 H SER A 22 -21.132 31.176 26.935 1.00 0.00 H ATOM 108 N GLU A 23 -18.244 31.911 25.416 1.00 19.58 N ATOM 109 CA GLU A 23 -16.835 31.987 25.034 1.00 17.98 C ATOM 110 C GLU A 23 -16.483 30.919 23.965 1.00 18.72 C ATOM 111 O GLU A 23 -15.712 31.181 23.049 1.00 15.29 O ATOM 112 CB GLU A 23 -15.929 31.824 26.268 1.00 18.38 C ATOM 113 CG GLU A 23 -14.465 32.042 25.921 1.00 19.59 C ATOM 114 CD GLU A 23 -13.460 31.860 27.041 1.00 20.80 C ATOM 115 OE1 GLU A 23 -13.856 31.899 28.228 1.00 17.50 O ATOM 116 OE2 GLU A 23 -12.258 31.752 26.726 1.00 17.57 O ATOM 117 H GLU A 23 -18.493 31.630 26.386 1.00 0.00 H ATOM 118 N GLN A 24 -17.091 29.739 24.062 1.00 15.51 N ATOM 119 CA GLN A 24 -16.851 28.641 23.111 1.00 15.07 C ATOM 120 C GLN A 24 -17.468 28.948 21.746 1.00 19.09 C ATOM 121 O GLN A 24 -17.109 28.315 20.755 1.00 16.75 O ATOM 122 CB GLN A 24 -17.410 27.322 23.689 1.00 16.84 C ATOM 123 CG GLN A 24 -16.760 26.988 25.026 1.00 16.22 C ATOM 124 CD GLN A 24 -17.263 25.704 25.615 1.00 24.17 C ATOM 125 OE1 GLN A 24 -16.893 24.624 25.174 1.00 20.37 O ATOM 126 NE2 GLN A 24 -18.031 25.796 26.683 1.00 13.76 N ATOM 127 HE22 GLN A 24 -18.327 26.730 27.031 1.00 0.00 H ATOM 128 HE21 GLN A 24 -18.340 24.935 27.177 1.00 0.00 H ATOM 129 H GLN A 24 -17.763 29.586 24.841 1.00 0.00 H ATOM 130 N GLU A 25 -18.387 29.943 21.699 1.00 17.86 N ATOM 131 CA GLU A 25 -19.018 30.401 20.468 1.00 19.83 C ATOM 132 C GLU A 25 -18.219 31.507 19.789 1.00 24.28 C ATOM 133 O GLU A 25 -18.571 31.898 18.678 1.00 25.45 O ATOM 134 CB GLU A 25 -20.450 30.891 20.748 1.00 22.82 C ATOM 135 CG GLU A 25 -21.457 29.758 20.771 1.00 34.76 C ATOM 136 CD GLU A 25 -21.927 29.377 19.381 1.00 73.39 C ATOM 137 OE1 GLU A 25 -22.821 30.070 18.844 1.00 93.89 O ATOM 138 OE2 GLU A 25 -21.360 28.422 18.805 1.00 62.61 O ATOM 139 H GLU A 25 -18.657 30.405 22.591 1.00 0.00 H ATOM 140 N THR A 26 -17.139 31.999 20.424 1.00 21.34 N ATOM 141 CA THR A 26 -16.329 33.103 19.881 1.00 20.89 C ATOM 142 C THR A 26 -15.834 32.765 18.473 1.00 24.42 C ATOM 143 O THR A 26 -15.265 31.693 18.249 1.00 20.88 O ATOM 144 CB THR A 26 -15.143 33.441 20.813 1.00 23.76 C ATOM 145 OG1 THR A 26 -15.628 33.777 22.106 1.00 21.59 O ATOM 146 CG2 THR A 26 -14.290 34.609 20.298 1.00 25.99 C ATOM 147 HG1 THR A 26 -14.864 33.992 22.698 1.00 0.00 H ATOM 148 H THR A 26 -16.865 31.582 21.336 1.00 0.00 H ATOM 149 N LEU A 27 -16.064 33.690 17.536 1.00 22.71 N ATOM 150 CA LEU A 27 -15.613 33.569 16.153 1.00 23.29 C ATOM 151 C LEU A 27 -14.137 33.981 16.070 1.00 24.61 C ATOM 152 O LEU A 27 -13.742 35.041 16.556 1.00 24.28 O ATOM 153 CB LEU A 27 -16.507 34.402 15.208 1.00 25.69 C ATOM 154 CG LEU A 27 -17.856 33.700 14.877 1.00 32.45 C ATOM 155 CD1 LEU A 27 -18.969 34.721 14.505 1.00 36.05 C ATOM 156 CD2 LEU A 27 -17.687 32.650 13.805 1.00 34.60 C ATOM 157 H LEU A 27 -16.594 34.543 17.807 1.00 0.00 H ATOM 158 N VAL A 28 -13.317 33.108 15.508 1.00 19.21 N ATOM 159 CA VAL A 28 -11.868 33.303 15.442 1.00 17.86 C ATOM 160 C VAL A 28 -11.313 32.991 14.040 1.00 22.09 C ATOM 161 O VAL A 28 -11.867 32.168 13.296 1.00 20.13 O ATOM 162 CB VAL A 28 -11.153 32.420 16.527 1.00 19.48 C ATOM 163 CG1 VAL A 28 -11.571 32.835 17.947 1.00 18.03 C ATOM 164 CG2 VAL A 28 -11.423 30.918 16.307 1.00 18.16 C ATOM 165 H VAL A 28 -13.721 32.243 15.094 1.00 0.00 H ATOM 166 N ARG A 29 -10.183 33.633 13.731 1.00 18.54 N ATOM 167 CA ARG A 29 -9.406 33.457 12.521 1.00 18.66 C ATOM 168 C ARG A 29 -8.037 32.874 12.883 1.00 19.68 C ATOM 169 O ARG A 29 -7.137 33.612 13.288 1.00 19.26 O ATOM 170 CB ARG A 29 -9.258 34.784 11.737 1.00 19.51 C ATOM 171 CG ARG A 29 -10.507 35.140 10.950 1.00 35.67 C ATOM 172 CD ARG A 29 -10.197 36.127 9.840 1.00 56.02 C ATOM 173 NE ARG A 29 -11.208 37.178 9.766 1.00 74.05 N ATOM 174 CZ ARG A 29 -11.112 38.362 10.364 1.00 93.11 C ATOM 175 NH1 ARG A 29 -10.031 38.665 11.079 1.00 80.23 N ATOM 176 NH2 ARG A 29 -12.083 39.253 10.249 1.00 82.42 N ATOM 177 HE ARG A 29 -12.063 36.987 9.206 1.00 0.00 H ATOM 178 HH12 ARG A 29 -9.959 39.592 11.545 1.00 0.00 H ATOM 179 HH11 ARG A 29 -9.258 37.975 11.171 1.00 0.00 H ATOM 180 HH22 ARG A 29 -12.000 40.177 10.720 1.00 0.00 H ATOM 181 HH21 ARG A 29 -12.930 39.030 9.688 1.00 0.00 H ATOM 182 H ARG A 29 -9.828 34.323 14.423 1.00 0.00 H ATOM 183 N PRO A 30 -7.864 31.536 12.776 1.00 16.38 N ATOM 184 CA PRO A 30 -6.548 30.935 13.065 1.00 14.44 C ATOM 185 C PRO A 30 -5.432 31.562 12.229 1.00 19.67 C ATOM 186 O PRO A 30 -5.638 31.891 11.057 1.00 20.64 O ATOM 187 CB PRO A 30 -6.749 29.464 12.687 1.00 15.73 C ATOM 188 CG PRO A 30 -8.234 29.231 12.871 1.00 19.14 C ATOM 189 CD PRO A 30 -8.849 30.503 12.381 1.00 17.05 C ATOM 190 N LYS A 31 -4.253 31.770 12.853 1.00 15.69 N ATOM 191 CA LYS A 31 -3.073 32.324 12.182 1.00 16.56 C ATOM 192 C LYS A 31 -2.525 31.239 11.218 1.00 19.58 C ATOM 193 O LYS A 31 -3.005 30.098 11.292 1.00 18.98 O ATOM 194 CB LYS A 31 -2.033 32.804 13.219 1.00 18.79 C ATOM 195 CG LYS A 31 -2.467 34.058 13.982 1.00 25.87 C ATOM 196 CD LYS A 31 -1.420 34.453 15.058 1.00 28.26 C ATOM 197 CE LYS A 31 -1.987 35.487 16.008 1.00 44.01 C ATOM 198 NZ LYS A 31 -0.979 36.029 16.972 1.00 49.84 N ATOM 199 HZ1 LYS A 31 -0.599 35.251 17.548 1.00 0.00 H ATOM 200 HZ2 LYS A 31 -0.205 36.481 16.445 1.00 0.00 H ATOM 201 HZ3 LYS A 31 -1.435 36.730 17.591 1.00 0.00 H ATOM 202 H LYS A 31 -4.178 31.525 13.861 1.00 0.00 H ATOM 203 N PRO A 32 -1.643 31.564 10.237 1.00 17.42 N ATOM 204 CA PRO A 32 -1.315 30.580 9.191 1.00 17.79 C ATOM 205 C PRO A 32 -0.859 29.183 9.623 1.00 21.48 C ATOM 206 O PRO A 32 -1.257 28.241 8.944 1.00 19.76 O ATOM 207 CB PRO A 32 -0.236 31.293 8.374 1.00 19.97 C ATOM 208 CG PRO A 32 -0.631 32.716 8.455 1.00 23.52 C ATOM 209 CD PRO A 32 -1.058 32.883 9.894 1.00 18.22 C ATOM 210 N LEU A 33 -0.045 29.023 10.689 1.00 18.98 N ATOM 211 CA LEU A 33 0.410 27.668 11.084 1.00 18.34 C ATOM 212 C LEU A 33 -0.715 26.855 11.672 1.00 20.98 C ATOM 213 O LEU A 33 -0.828 25.676 11.354 1.00 20.12 O ATOM 214 CB LEU A 33 1.607 27.683 12.044 1.00 18.74 C ATOM 215 CG LEU A 33 2.926 28.231 11.460 1.00 25.02 C ATOM 216 CD1 LEU A 33 4.006 28.313 12.514 1.00 25.46 C ATOM 217 CD2 LEU A 33 3.410 27.432 10.249 1.00 28.22 C ATOM 218 H LEU A 33 0.264 29.853 11.235 1.00 0.00 H ATOM 219 N LEU A 34 -1.552 27.466 12.511 1.00 17.41 N ATOM 220 CA LEU A 34 -2.699 26.776 13.075 1.00 15.49 C ATOM 221 C LEU A 34 -3.713 26.470 11.964 1.00 19.43 C ATOM 222 O LEU A 34 -4.277 25.383 11.952 1.00 18.90 O ATOM 223 CB LEU A 34 -3.362 27.577 14.212 1.00 14.33 C ATOM 224 CG LEU A 34 -4.647 26.956 14.802 1.00 16.56 C ATOM 225 CD1 LEU A 34 -4.381 25.562 15.404 1.00 15.66 C ATOM 226 CD2 LEU A 34 -5.303 27.891 15.809 1.00 16.89 C ATOM 227 H LEU A 34 -1.380 28.459 12.767 1.00 0.00 H ATOM 228 N LEU A 35 -3.942 27.411 11.043 1.00 17.19 N ATOM 229 CA LEU A 35 -4.874 27.160 9.937 1.00 17.51 C ATOM 230 C LEU A 35 -4.438 25.942 9.101 1.00 23.75 C ATOM 231 O LEU A 35 -5.269 25.082 8.766 1.00 22.45 O ATOM 232 CB LEU A 35 -5.019 28.395 9.029 1.00 17.84 C ATOM 233 CG LEU A 35 -6.154 28.308 7.991 1.00 21.85 C ATOM 234 CD1 LEU A 35 -7.540 28.203 8.666 1.00 20.26 C ATOM 235 CD2 LEU A 35 -6.067 29.459 6.984 1.00 22.26 C ATOM 236 H LEU A 35 -3.456 28.328 11.110 1.00 0.00 H ATOM 237 N LYS A 36 -3.126 25.884 8.762 1.00 21.69 N ATOM 238 CA LYS A 36 -2.530 24.775 8.014 1.00 22.14 C ATOM 239 C LYS A 36 -2.764 23.451 8.778 1.00 23.28 C ATOM 240 O LYS A 36 -3.091 22.433 8.175 1.00 21.15 O ATOM 241 CB LYS A 36 -1.034 25.052 7.831 1.00 25.34 C ATOM 242 CG LYS A 36 -0.305 24.056 6.942 1.00 44.85 C ATOM 243 CD LYS A 36 1.159 24.461 6.773 1.00 54.76 C ATOM 244 CE LYS A 36 1.961 23.434 6.008 1.00 73.17 C ATOM 245 NZ LYS A 36 2.375 22.291 6.868 1.00 81.72 N ATOM 246 HZ1 LYS A 36 2.962 22.643 7.651 1.00 0.00 H ATOM 247 HZ2 LYS A 36 1.529 21.822 7.251 1.00 0.00 H ATOM 248 HZ3 LYS A 36 2.922 21.612 6.301 1.00 0.00 H ATOM 249 H LYS A 36 -2.509 26.671 9.049 1.00 0.00 H ATOM 250 N LEU A 37 -2.596 23.479 10.106 1.00 19.41 N ATOM 251 CA LEU A 37 -2.811 22.310 10.943 1.00 19.92 C ATOM 252 C LEU A 37 -4.286 21.852 10.838 1.00 21.37 C ATOM 253 O LEU A 37 -4.544 20.664 10.620 1.00 20.46 O ATOM 254 CB LEU A 37 -2.424 22.645 12.394 1.00 19.90 C ATOM 255 CG LEU A 37 -2.362 21.488 13.388 1.00 24.57 C ATOM 256 CD1 LEU A 37 -1.398 21.808 14.539 1.00 24.08 C ATOM 257 CD2 LEU A 37 -3.749 21.150 13.928 1.00 26.11 C ATOM 258 H LEU A 37 -2.301 24.369 10.555 1.00 0.00 H ATOM 259 N LEU A 38 -5.238 22.782 10.965 1.00 17.03 N ATOM 260 CA LEU A 38 -6.666 22.451 10.884 1.00 17.28 C ATOM 261 C LEU A 38 -7.043 21.892 9.498 1.00 22.74 C ATOM 262 O LEU A 38 -7.782 20.917 9.425 1.00 20.87 O ATOM 263 CB LEU A 38 -7.561 23.666 11.216 1.00 17.61 C ATOM 264 CG LEU A 38 -7.328 24.365 12.577 1.00 22.10 C ATOM 265 CD1 LEU A 38 -8.214 25.592 12.707 1.00 22.04 C ATOM 266 CD2 LEU A 38 -7.505 23.414 13.768 1.00 21.50 C ATOM 267 H LEU A 38 -4.958 23.771 11.126 1.00 0.00 H ATOM 268 N LYS A 39 -6.511 22.494 8.420 1.00 21.06 N ATOM 269 CA LYS A 39 -6.766 22.058 7.043 1.00 22.09 C ATOM 270 C LYS A 39 -6.141 20.683 6.774 1.00 25.43 C ATOM 271 O LYS A 39 -6.710 19.930 5.993 1.00 24.93 O ATOM 272 CB LYS A 39 -6.302 23.111 6.026 1.00 24.82 C ATOM 273 CG LYS A 39 -7.208 24.345 6.063 1.00 26.92 C ATOM 274 CD LYS A 39 -6.920 25.339 4.943 1.00 35.83 C ATOM 275 CE LYS A 39 -7.886 26.499 5.028 1.00 40.08 C ATOM 276 NZ LYS A 39 -7.760 27.426 3.872 1.00 47.83 N ATOM 277 HZ1 LYS A 39 -6.795 27.812 3.842 1.00 0.00 H ATOM 278 HZ2 LYS A 39 -7.955 26.908 2.991 1.00 0.00 H ATOM 279 HZ3 LYS A 39 -8.443 28.204 3.977 1.00 0.00 H ATOM 280 H LYS A 39 -5.886 23.312 8.570 1.00 0.00 H ATOM 281 N SER A 40 -5.052 20.300 7.494 1.00 21.87 N ATOM 282 CA SER A 40 -4.452 18.965 7.360 1.00 21.60 C ATOM 283 C SER A 40 -5.423 17.870 7.874 1.00 26.98 C ATOM 284 O SER A 40 -5.260 16.695 7.542 1.00 26.28 O ATOM 285 CB SER A 40 -3.115 18.893 8.100 1.00 23.50 C ATOM 286 OG SER A 40 -3.269 18.742 9.502 1.00 27.88 O ATOM 287 HG SER A 40 -3.773 19.514 9.862 1.00 0.00 H ATOM 288 H SER A 40 -4.629 20.975 8.162 1.00 0.00 H ATOM 289 N VAL A 41 -6.427 18.253 8.692 1.00 24.52 N ATOM 290 CA VAL A 41 -7.405 17.275 9.175 1.00 24.99 C ATOM 291 C VAL A 41 -8.831 17.583 8.623 1.00 29.42 C ATOM 292 O VAL A 41 -9.823 17.196 9.232 1.00 29.76 O ATOM 293 CB VAL A 41 -7.381 17.065 10.721 1.00 27.67 C ATOM 294 CG1 VAL A 41 -6.127 16.305 11.135 1.00 27.21 C ATOM 295 CG2 VAL A 41 -7.494 18.384 11.486 1.00 26.27 C ATOM 296 H VAL A 41 -6.506 19.249 8.981 1.00 0.00 H ATOM 297 N GLY A 42 -8.916 18.222 7.457 1.00 25.61 N ATOM 298 CA GLY A 42 -10.204 18.411 6.789 1.00 25.25 C ATOM 299 C GLY A 42 -10.958 19.717 6.912 1.00 28.01 C ATOM 300 O GLY A 42 -11.999 19.865 6.272 1.00 28.56 O ATOM 301 H GLY A 42 -8.051 18.593 7.014 1.00 0.00 H ATOM 302 N ALA A 43 -10.449 20.686 7.680 1.00 23.04 N ATOM 303 CA ALA A 43 -11.106 21.991 7.773 1.00 23.46 C ATOM 304 C ALA A 43 -10.969 22.709 6.429 1.00 29.45 C ATOM 305 O ALA A 43 -10.009 22.455 5.700 1.00 28.54 O ATOM 306 CB ALA A 43 -10.484 22.814 8.898 1.00 23.15 C ATOM 307 H ALA A 43 -9.576 20.511 8.218 1.00 0.00 H ATOM 308 N GLN A 44 -11.921 23.568 6.069 1.00 28.51 N ATOM 309 CA GLN A 44 -11.838 24.201 4.758 1.00 30.61 C ATOM 310 C GLN A 44 -11.996 25.724 4.804 1.00 39.47 C ATOM 311 O GLN A 44 -11.591 26.410 3.861 1.00 43.21 O ATOM 312 CB GLN A 44 -12.902 23.597 3.841 1.00 32.83 C ATOM 313 CG GLN A 44 -12.465 23.572 2.386 1.00 44.18 C ATOM 314 CD GLN A 44 -13.367 22.749 1.506 1.00 45.10 C ATOM 315 OE1 GLN A 44 -14.557 22.548 1.781 1.00 39.90 O ATOM 316 NE2 GLN A 44 -12.809 22.266 0.415 1.00 32.24 N ATOM 317 HE22 GLN A 44 -11.806 22.455 0.216 1.00 0.00 H ATOM 318 HE21 GLN A 44 -13.372 21.695 -0.248 1.00 0.00 H ATOM 319 H GLN A 44 -12.710 23.784 6.712 1.00 0.00 H ATOM 320 N LYS A 45 -12.550 26.256 5.890 1.00 34.69 N ATOM 321 CA LYS A 45 -12.786 27.693 5.993 1.00 33.93 C ATOM 322 C LYS A 45 -11.651 28.418 6.727 1.00 34.70 C ATOM 323 O LYS A 45 -10.682 27.796 7.192 1.00 31.97 O ATOM 324 CB LYS A 45 -14.151 27.961 6.650 1.00 36.35 C ATOM 325 CG LYS A 45 -14.353 27.298 8.003 1.00 38.32 C ATOM 326 CD LYS A 45 -15.830 27.133 8.285 1.00 42.11 C ATOM 327 CE LYS A 45 -16.080 26.682 9.700 1.00 38.86 C ATOM 328 NZ LYS A 45 -17.537 26.612 9.983 1.00 51.06 N ATOM 329 HZ1 LYS A 45 -17.960 27.553 9.851 1.00 0.00 H ATOM 330 HZ2 LYS A 45 -17.983 25.935 9.331 1.00 0.00 H ATOM 331 HZ3 LYS A 45 -17.684 26.299 10.964 1.00 0.00 H ATOM 332 H LYS A 45 -12.820 25.637 6.681 1.00 0.00 H ATOM 333 N ASP A 46 -11.756 29.750 6.777 1.00 30.89 N ATOM 334 CA ASP A 46 -10.773 30.600 7.430 1.00 29.52 C ATOM 335 C ASP A 46 -11.271 31.080 8.813 1.00 28.50 C ATOM 336 O ASP A 46 -10.445 31.454 9.633 1.00 24.95 O ATOM 337 CB ASP A 46 -10.452 31.807 6.517 1.00 33.63 C ATOM 338 CG ASP A 46 -9.640 31.478 5.260 1.00 48.65 C ATOM 339 OD1 ASP A 46 -9.328 30.272 5.036 1.00 48.20 O ATOM 340 OD2 ASP A 46 -9.313 32.420 4.505 1.00 56.93 O ATOM 341 H ASP A 46 -12.579 30.199 6.328 1.00 0.00 H ATOM 342 N THR A 47 -12.605 31.101 9.050 1.00 25.24 N ATOM 343 CA THR A 47 -13.226 31.573 10.302 1.00 24.44 C ATOM 344 C THR A 47 -13.969 30.421 10.988 1.00 26.40 C ATOM 345 O THR A 47 -14.705 29.691 10.333 1.00 26.08 O ATOM 346 CB THR A 47 -14.166 32.769 10.022 1.00 34.32 C ATOM 347 OG1 THR A 47 -13.475 33.717 9.220 1.00 32.22 O ATOM 348 CG2 THR A 47 -14.626 33.473 11.301 1.00 36.87 C ATOM 349 HG1 THR A 47 -14.069 34.487 9.035 1.00 0.00 H ATOM 350 H THR A 47 -13.235 30.760 8.296 1.00 0.00 H ATOM 351 N TYR A 48 -13.777 30.277 12.308 1.00 20.47 N ATOM 352 CA TYR A 48 -14.347 29.201 13.115 1.00 19.77 C ATOM 353 C TYR A 48 -14.865 29.682 14.429 1.00 23.57 C ATOM 354 O TYR A 48 -14.436 30.725 14.898 1.00 24.23 O ATOM 355 CB TYR A 48 -13.236 28.167 13.457 1.00 20.05 C ATOM 356 CG TYR A 48 -12.558 27.546 12.264 1.00 23.67 C ATOM 357 CD1 TYR A 48 -11.567 28.232 11.568 1.00 24.89 C ATOM 358 CD2 TYR A 48 -12.888 26.261 11.838 1.00 25.86 C ATOM 359 CE1 TYR A 48 -10.984 27.694 10.431 1.00 25.32 C ATOM 360 CE2 TYR A 48 -12.303 25.706 10.706 1.00 27.36 C ATOM 361 CZ TYR A 48 -11.340 26.423 10.013 1.00 33.02 C ATOM 362 OH TYR A 48 -10.745 25.891 8.904 1.00 35.36 O ATOM 363 HH TYR A 48 -10.088 26.537 8.541 1.00 0.00 H ATOM 364 H TYR A 48 -13.181 30.980 12.790 1.00 0.00 H ATOM 365 N THR A 49 -15.687 28.861 15.101 1.00 18.44 N ATOM 366 CA THR A 49 -16.009 29.108 16.497 1.00 17.19 C ATOM 367 C THR A 49 -14.893 28.391 17.246 1.00 18.16 C ATOM 368 O THR A 49 -14.303 27.469 16.678 1.00 15.93 O ATOM 369 CB THR A 49 -17.393 28.598 16.880 1.00 20.19 C ATOM 370 OG1 THR A 49 -17.404 27.215 16.605 1.00 21.87 O ATOM 371 CG2 THR A 49 -18.524 29.312 16.156 1.00 22.02 C ATOM 372 HG1 THR A 49 -17.228 27.070 15.642 1.00 0.00 H ATOM 373 H THR A 49 -16.099 28.038 14.617 1.00 0.00 H ATOM 374 N MET A 50 -14.614 28.774 18.507 1.00 15.42 N ATOM 375 CA MET A 50 -13.611 28.088 19.318 1.00 13.28 C ATOM 376 C MET A 50 -13.950 26.594 19.441 1.00 16.86 C ATOM 377 O MET A 50 -13.054 25.754 19.345 1.00 14.21 O ATOM 378 CB MET A 50 -13.497 28.746 20.702 1.00 14.68 C ATOM 379 CG MET A 50 -12.652 30.044 20.704 1.00 17.42 C ATOM 380 SD MET A 50 -10.950 29.762 20.141 1.00 19.96 S ATOM 381 CE MET A 50 -10.195 28.999 21.637 1.00 14.75 C ATOM 382 H MET A 50 -15.127 29.581 18.915 1.00 0.00 H ATOM 383 N LYS A 51 -15.231 26.250 19.591 1.00 13.83 N ATOM 384 CA LYS A 51 -15.624 24.831 19.739 1.00 13.12 C ATOM 385 C LYS A 51 -15.339 23.973 18.479 1.00 16.14 C ATOM 386 O LYS A 51 -15.041 22.787 18.629 1.00 15.63 O ATOM 387 CB LYS A 51 -17.093 24.701 20.172 1.00 14.88 C ATOM 388 CG LYS A 51 -18.105 25.385 19.274 1.00 22.46 C ATOM 389 CD LYS A 51 -19.511 25.336 19.893 1.00 23.69 C ATOM 390 CE LYS A 51 -20.573 25.307 18.833 1.00 39.39 C ATOM 391 NZ LYS A 51 -21.946 25.484 19.399 1.00 44.74 N ATOM 392 HZ1 LYS A 51 -22.143 24.717 20.074 1.00 0.00 H ATOM 393 HZ2 LYS A 51 -22.003 26.400 19.887 1.00 0.00 H ATOM 394 HZ3 LYS A 51 -22.644 25.457 18.628 1.00 0.00 H ATOM 395 H LYS A 51 -15.963 26.989 19.604 1.00 0.00 H ATOM 396 N GLU A 52 -15.366 24.557 17.266 1.00 15.48 N ATOM 397 CA GLU A 52 -14.978 23.825 16.047 1.00 16.00 C ATOM 398 C GLU A 52 -13.481 23.619 16.027 1.00 17.28 C ATOM 399 O GLU A 52 -13.023 22.552 15.625 1.00 17.35 O ATOM 400 CB GLU A 52 -15.367 24.560 14.755 1.00 18.41 C ATOM 401 CG GLU A 52 -16.837 24.733 14.501 1.00 29.55 C ATOM 402 CD GLU A 52 -17.039 25.513 13.223 1.00 46.06 C ATOM 403 OE1 GLU A 52 -16.786 26.739 13.226 1.00 32.19 O ATOM 404 OE2 GLU A 52 -17.361 24.879 12.194 1.00 49.17 O ATOM 405 H GLU A 52 -15.668 25.549 17.187 1.00 0.00 H ATOM 406 N VAL A 53 -12.711 24.667 16.408 1.00 14.15 N ATOM 407 CA VAL A 53 -11.236 24.613 16.511 1.00 12.47 C ATOM 408 C VAL A 53 -10.854 23.432 17.441 1.00 15.38 C ATOM 409 O VAL A 53 -9.983 22.635 17.094 1.00 14.68 O ATOM 410 CB VAL A 53 -10.583 25.945 16.987 1.00 15.33 C ATOM 411 CG1 VAL A 53 -9.075 25.792 17.224 1.00 14.02 C ATOM 412 CG2 VAL A 53 -10.845 27.092 16.005 1.00 16.01 C ATOM 413 H VAL A 53 -13.185 25.563 16.642 1.00 0.00 H ATOM 414 N LEU A 54 -11.524 23.316 18.608 1.00 10.96 N ATOM 415 CA LEU A 54 -11.231 22.236 19.559 1.00 10.96 C ATOM 416 C LEU A 54 -11.547 20.867 18.963 1.00 14.08 C ATOM 417 O LEU A 54 -10.852 19.894 19.255 1.00 12.73 O ATOM 418 CB LEU A 54 -11.998 22.442 20.895 1.00 10.85 C ATOM 419 CG LEU A 54 -11.267 23.277 21.956 1.00 13.65 C ATOM 420 CD1 LEU A 54 -9.963 22.602 22.405 1.00 12.33 C ATOM 421 CD2 LEU A 54 -10.995 24.721 21.468 1.00 13.69 C ATOM 422 H LEU A 54 -12.265 24.008 18.839 1.00 0.00 H ATOM 423 N PHE A 55 -12.601 20.786 18.136 1.00 13.07 N ATOM 424 CA PHE A 55 -12.968 19.519 17.476 1.00 14.22 C ATOM 425 C PHE A 55 -11.857 19.085 16.483 1.00 17.79 C ATOM 426 O PHE A 55 -11.426 17.944 16.521 1.00 18.31 O ATOM 427 CB PHE A 55 -14.325 19.641 16.758 1.00 16.53 C ATOM 428 CG PHE A 55 -14.849 18.325 16.215 1.00 19.65 C ATOM 429 CD1 PHE A 55 -15.573 17.462 17.022 1.00 22.89 C ATOM 430 CD2 PHE A 55 -14.654 17.973 14.884 1.00 24.36 C ATOM 431 CE1 PHE A 55 -16.079 16.256 16.516 1.00 25.81 C ATOM 432 CE2 PHE A 55 -15.156 16.757 14.380 1.00 28.06 C ATOM 433 CZ PHE A 55 -15.847 15.903 15.205 1.00 25.98 C ATOM 434 H PHE A 55 -13.172 21.636 17.956 1.00 0.00 H ATOM 435 N TYR A 56 -11.395 19.999 15.615 1.00 14.91 N ATOM 436 CA TYR A 56 -10.334 19.696 14.646 1.00 15.60 C ATOM 437 C TYR A 56 -9.025 19.360 15.332 1.00 18.44 C ATOM 438 O TYR A 56 -8.345 18.442 14.893 1.00 17.78 O ATOM 439 CB TYR A 56 -10.126 20.855 13.659 1.00 16.99 C ATOM 440 CG TYR A 56 -11.225 20.939 12.623 1.00 21.81 C ATOM 441 CD1 TYR A 56 -11.447 19.894 11.726 1.00 24.56 C ATOM 442 CD2 TYR A 56 -12.043 22.061 12.537 1.00 23.49 C ATOM 443 CE1 TYR A 56 -12.464 19.961 10.776 1.00 27.51 C ATOM 444 CE2 TYR A 56 -13.070 22.135 11.591 1.00 25.75 C ATOM 445 CZ TYR A 56 -13.265 21.089 10.704 1.00 33.52 C ATOM 446 OH TYR A 56 -14.254 21.168 9.757 1.00 37.53 O ATOM 447 HH TYR A 56 -14.088 21.950 9.173 1.00 0.00 H ATOM 448 H TYR A 56 -11.803 20.956 15.629 1.00 0.00 H ATOM 449 N LEU A 57 -8.689 20.070 16.427 1.00 14.16 N ATOM 450 CA LEU A 57 -7.456 19.790 17.184 1.00 12.35 C ATOM 451 C LEU A 57 -7.518 18.440 17.864 1.00 15.75 C ATOM 452 O LEU A 57 -6.503 17.764 17.941 1.00 17.11 O ATOM 453 CB LEU A 57 -7.157 20.898 18.212 1.00 10.95 C ATOM 454 CG LEU A 57 -6.626 22.174 17.587 1.00 14.12 C ATOM 455 CD1 LEU A 57 -6.527 23.263 18.637 1.00 13.99 C ATOM 456 CD2 LEU A 57 -5.224 21.949 16.990 1.00 17.33 C ATOM 457 H LEU A 57 -9.316 20.836 16.746 1.00 0.00 H ATOM 458 N GLY A 58 -8.697 18.036 18.301 1.00 12.98 N ATOM 459 CA GLY A 58 -8.911 16.701 18.856 1.00 12.59 C ATOM 460 C GLY A 58 -8.628 15.653 17.794 1.00 17.71 C ATOM 461 O GLY A 58 -7.923 14.679 18.069 1.00 17.35 O ATOM 462 H GLY A 58 -9.503 18.692 18.248 1.00 0.00 H ATOM 463 N GLN A 59 -9.101 15.876 16.543 1.00 14.78 N ATOM 464 CA GLN A 59 -8.839 14.920 15.436 1.00 15.12 C ATOM 465 C GLN A 59 -7.344 14.848 15.114 1.00 17.73 C ATOM 466 O GLN A 59 -6.830 13.769 14.795 1.00 16.11 O ATOM 467 CB GLN A 59 -9.581 15.302 14.140 1.00 16.58 C ATOM 468 CG GLN A 59 -11.092 15.209 14.150 1.00 24.95 C ATOM 469 CD GLN A 59 -11.658 15.851 12.898 1.00 43.94 C ATOM 470 OE1 GLN A 59 -12.364 16.857 12.956 1.00 47.75 O ATOM 471 NE2 GLN A 59 -11.284 15.359 11.731 1.00 33.73 N ATOM 472 HE22 GLN A 59 -10.687 14.508 11.693 1.00 0.00 H ATOM 473 HE21 GLN A 59 -11.586 15.822 10.850 1.00 0.00 H ATOM 474 H GLN A 59 -9.658 16.733 16.354 1.00 0.00 H ATOM 475 N TYR A 60 -6.666 16.018 15.131 1.00 13.45 N ATOM 476 CA TYR A 60 -5.229 16.103 14.836 1.00 13.92 C ATOM 477 C TYR A 60 -4.441 15.304 15.877 1.00 18.41 C ATOM 478 O TYR A 60 -3.536 14.545 15.515 1.00 18.22 O ATOM 479 CB TYR A 60 -4.767 17.592 14.819 1.00 14.38 C ATOM 480 CG TYR A 60 -3.281 17.764 14.592 1.00 16.16 C ATOM 481 CD1 TYR A 60 -2.753 17.803 13.303 1.00 18.30 C ATOM 482 CD2 TYR A 60 -2.397 17.869 15.665 1.00 16.63 C ATOM 483 CE1 TYR A 60 -1.385 17.958 13.086 1.00 19.15 C ATOM 484 CE2 TYR A 60 -1.026 18.009 15.459 1.00 17.81 C ATOM 485 CZ TYR A 60 -0.528 18.073 14.164 1.00 22.86 C ATOM 486 OH TYR A 60 0.814 18.219 13.930 1.00 22.30 O ATOM 487 HH TYR A 60 1.302 17.455 14.327 1.00 0.00 H ATOM 488 H TYR A 60 -7.182 16.891 15.362 1.00 0.00 H ATOM 489 N ILE A 61 -4.765 15.495 17.185 1.00 14.79 N ATOM 490 CA ILE A 61 -4.074 14.787 18.261 1.00 13.89 C ATOM 491 C ILE A 61 -4.207 13.269 18.045 1.00 21.42 C ATOM 492 O ILE A 61 -3.213 12.552 18.158 1.00 21.35 O ATOM 493 CB ILE A 61 -4.599 15.237 19.647 1.00 15.14 C ATOM 494 CG1 ILE A 61 -4.066 16.646 20.006 1.00 13.58 C ATOM 495 CG2 ILE A 61 -4.267 14.195 20.755 1.00 13.77 C ATOM 496 CD1 ILE A 61 -4.862 17.312 21.120 1.00 12.78 C ATOM 497 H ILE A 61 -5.525 16.163 17.425 1.00 0.00 H ATOM 498 N MET A 62 -5.411 12.787 17.709 1.00 20.73 N ATOM 499 CA MET A 62 -5.628 11.352 17.456 1.00 24.18 C ATOM 500 C MET A 62 -4.857 10.837 16.243 1.00 28.09 C ATOM 501 O MET A 62 -4.252 9.783 16.348 1.00 27.99 O ATOM 502 CB MET A 62 -7.113 11.038 17.284 1.00 27.37 C ATOM 503 CG MET A 62 -7.885 11.389 18.500 1.00 32.69 C ATOM 504 SD MET A 62 -9.477 10.582 18.621 1.00 40.67 S ATOM 505 CE MET A 62 -8.935 8.893 18.996 1.00 39.10 C ATOM 506 H MET A 62 -6.214 13.443 17.625 1.00 0.00 H ATOM 507 N THR A 63 -4.900 11.556 15.107 1.00 25.85 N ATOM 508 CA THR A 63 -4.210 11.211 13.838 1.00 27.35 C ATOM 509 C THR A 63 -2.684 11.119 14.048 1.00 29.05 C ATOM 510 O THR A 63 -2.041 10.198 13.560 1.00 28.34 O ATOM 511 CB THR A 63 -4.553 12.302 12.794 1.00 39.40 C ATOM 512 OG1 THR A 63 -5.960 12.278 12.579 1.00 43.40 O ATOM 513 CG2 THR A 63 -3.823 12.134 11.471 1.00 41.13 C ATOM 514 HG1 THR A 63 -6.426 12.462 13.433 1.00 0.00 H ATOM 515 H THR A 63 -5.465 12.429 15.118 1.00 0.00 H ATOM 516 N LYS A 64 -2.113 12.084 14.778 1.00 23.67 N ATOM 517 CA LYS A 64 -0.675 12.123 15.034 1.00 22.73 C ATOM 518 C LYS A 64 -0.280 11.226 16.233 1.00 26.28 C ATOM 519 O LYS A 64 0.908 11.121 16.537 1.00 27.34 O ATOM 520 CB LYS A 64 -0.226 13.580 15.251 1.00 23.59 C ATOM 521 CG LYS A 64 -0.390 14.483 14.003 1.00 28.11 C ATOM 522 CD LYS A 64 0.480 14.029 12.805 1.00 39.48 C ATOM 523 CE LYS A 64 1.251 15.141 12.134 1.00 45.95 C ATOM 524 NZ LYS A 64 2.396 15.617 12.965 1.00 36.82 N ATOM 525 HZ1 LYS A 64 2.038 15.975 13.874 1.00 0.00 H ATOM 526 HZ2 LYS A 64 3.051 14.827 13.136 1.00 0.00 H ATOM 527 HZ3 LYS A 64 2.894 16.379 12.463 1.00 0.00 H ATOM 528 H LYS A 64 -2.714 12.833 15.177 1.00 0.00 H ATOM 529 N ARG A 65 -1.266 10.567 16.888 1.00 21.48 N ATOM 530 CA ARG A 65 -1.095 9.662 18.048 1.00 22.17 C ATOM 531 C ARG A 65 -0.332 10.352 19.196 1.00 25.94 C ATOM 532 O ARG A 65 0.613 9.777 19.750 1.00 27.90 O ATOM 533 CB ARG A 65 -0.370 8.329 17.667 1.00 25.92 C ATOM 534 CG ARG A 65 -0.751 7.665 16.337 1.00 43.19 C ATOM 535 CD ARG A 65 -2.154 7.101 16.268 1.00 62.64 C ATOM 536 NE ARG A 65 -2.606 7.047 14.872 1.00 81.94 N ATOM 537 CZ ARG A 65 -3.879 7.086 14.488 1.00 97.05 C ATOM 538 NH1 ARG A 65 -4.855 7.160 15.381 1.00 83.71 N ATOM 539 NH2 ARG A 65 -4.182 7.055 13.194 1.00 83.66 N ATOM 540 HE ARG A 65 -1.880 6.973 14.131 1.00 0.00 H ATOM 541 HH12 ARG A 65 -5.846 7.190 15.067 1.00 0.00 H ATOM 542 HH11 ARG A 65 -4.630 7.188 16.396 1.00 0.00 H ATOM 543 HH22 ARG A 65 -5.177 7.085 12.892 1.00 0.00 H ATOM 544 HH21 ARG A 65 -3.424 7.000 12.484 1.00 0.00 H ATOM 545 H ARG A 65 -2.237 10.710 16.543 1.00 0.00 H ATOM 546 N LEU A 66 -0.760 11.565 19.577 1.00 19.01 N ATOM 547 CA LEU A 66 -0.080 12.341 20.619 1.00 18.19 C ATOM 548 C LEU A 66 -0.638 12.077 22.025 1.00 22.73 C ATOM 549 O LEU A 66 -0.037 12.493 23.019 1.00 23.56 O ATOM 550 CB LEU A 66 -0.180 13.849 20.292 1.00 16.62 C ATOM 551 CG LEU A 66 0.398 14.307 18.930 1.00 20.96 C ATOM 552 CD1 LEU A 66 0.238 15.808 18.731 1.00 20.02 C ATOM 553 CD2 LEU A 66 1.857 13.881 18.745 1.00 22.24 C ATOM 554 H LEU A 66 -1.602 11.968 19.118 1.00 0.00 H ATOM 555 N TYR A 67 -1.787 11.408 22.108 1.00 19.08 N ATOM 556 CA TYR A 67 -2.488 11.178 23.374 1.00 25.84 C ATOM 557 C TYR A 67 -2.163 9.813 23.965 1.00 55.99 C ATOM 558 O TYR A 67 -2.093 8.834 23.236 1.00 42.25 O ATOM 559 CB TYR A 67 -4.005 11.343 23.150 1.00 25.41 C ATOM 560 CG TYR A 67 -4.864 11.225 24.393 1.00 25.33 C ATOM 561 CD1 TYR A 67 -4.505 11.861 25.578 1.00 26.80 C ATOM 562 CD2 TYR A 67 -6.034 10.474 24.385 1.00 26.34 C ATOM 563 CE1 TYR A 67 -5.281 11.736 26.730 1.00 27.75 C ATOM 564 CE2 TYR A 67 -6.832 10.365 25.523 1.00 27.76 C ATOM 565 CZ TYR A 67 -6.452 10.999 26.694 1.00 33.80 C ATOM 566 OH TYR A 67 -7.234 10.891 27.816 1.00 34.75 O ATOM 567 HH TYR A 67 -7.311 9.938 28.073 1.00 0.00 H ATOM 568 H TYR A 67 -2.206 11.032 21.234 1.00 0.00 H TER 569 TYR A 67 ATOM 570 N GLN A 72 -2.836 8.494 32.027 1.00 48.09 N ATOM 571 CA GLN A 72 -2.590 9.698 32.838 1.00 46.67 C ATOM 572 C GLN A 72 -3.208 10.988 32.218 1.00 45.45 C ATOM 573 O GLN A 72 -3.092 12.065 32.821 1.00 45.29 O ATOM 574 CB GLN A 72 -1.085 9.903 33.121 1.00 48.85 C ATOM 575 CG GLN A 72 -0.153 9.597 31.947 1.00 65.63 C ATOM 576 CD GLN A 72 1.273 10.073 32.141 1.00 83.31 C ATOM 577 OE1 GLN A 72 1.782 10.250 33.261 1.00 80.96 O ATOM 578 NE2 GLN A 72 1.961 10.268 31.031 1.00 67.23 N ATOM 579 HE22 GLN A 72 1.511 10.113 30.106 1.00 0.00 H ATOM 580 HE21 GLN A 72 2.953 10.577 31.081 1.00 0.00 H ATOM 581 HN3 GLN A 72 -2.419 8.622 31.083 1.00 0.00 H ATOM 582 HN2 GLN A 72 -3.861 8.342 31.937 1.00 0.00 H ATOM 583 HN1 GLN A 72 -2.401 7.671 32.490 1.00 0.00 H ATOM 584 N HIS A 73 -3.874 10.866 31.040 1.00 36.85 N ATOM 585 CA HIS A 73 -4.593 11.930 30.325 1.00 33.58 C ATOM 586 C HIS A 73 -3.668 13.082 29.867 1.00 29.64 C ATOM 587 O HIS A 73 -4.082 14.239 29.859 1.00 25.77 O ATOM 588 CB HIS A 73 -5.759 12.492 31.182 1.00 35.63 C ATOM 589 CG HIS A 73 -6.613 11.447 31.836 1.00 41.89 C ATOM 590 ND1 HIS A 73 -7.172 10.410 31.108 1.00 44.76 N ATOM 591 CD2 HIS A 73 -6.983 11.323 33.132 1.00 45.89 C ATOM 592 CE1 HIS A 73 -7.857 9.687 31.980 1.00 46.37 C ATOM 593 NE2 HIS A 73 -7.767 10.194 33.213 1.00 47.36 N ATOM 594 H HIS A 73 -3.875 9.924 30.599 1.00 0.00 H ATOM 595 N ILE A 74 -2.445 12.754 29.439 1.00 24.14 N ATOM 596 CA ILE A 74 -1.479 13.744 28.987 1.00 22.73 C ATOM 597 C ILE A 74 -1.272 13.608 27.482 1.00 22.13 C ATOM 598 O ILE A 74 -1.121 12.493 26.987 1.00 21.53 O ATOM 599 CB ILE A 74 -0.117 13.535 29.758 1.00 27.40 C ATOM 600 CG1 ILE A 74 -0.238 13.684 31.309 1.00 29.18 C ATOM 601 CG2 ILE A 74 1.051 14.347 29.175 1.00 27.50 C ATOM 602 CD1 ILE A 74 -0.542 15.120 31.901 1.00 29.89 C ATOM 603 H ILE A 74 -2.173 11.750 29.429 1.00 0.00 H ATOM 604 N VAL A 75 -1.202 14.739 26.784 1.00 16.55 N ATOM 605 CA VAL A 75 -0.796 14.835 25.378 1.00 16.66 C ATOM 606 C VAL A 75 0.708 15.184 25.385 1.00 21.04 C ATOM 607 O VAL A 75 1.090 16.138 26.065 1.00 18.91 O ATOM 608 CB VAL A 75 -1.619 15.871 24.556 1.00 19.29 C ATOM 609 CG1 VAL A 75 -0.937 16.178 23.210 1.00 18.75 C ATOM 610 CG2 VAL A 75 -3.046 15.390 24.325 1.00 18.70 C ATOM 611 H VAL A 75 -1.454 15.622 27.273 1.00 0.00 H ATOM 612 N TYR A 76 1.539 14.404 24.674 1.00 18.51 N ATOM 613 CA TYR A 76 2.976 14.629 24.518 1.00 19.08 C ATOM 614 C TYR A 76 3.178 15.225 23.127 1.00 22.46 C ATOM 615 O TYR A 76 2.921 14.563 22.132 1.00 22.17 O ATOM 616 CB TYR A 76 3.773 13.318 24.734 1.00 21.54 C ATOM 617 CG TYR A 76 3.842 12.928 26.193 1.00 24.18 C ATOM 618 CD1 TYR A 76 4.744 13.547 27.059 1.00 26.60 C ATOM 619 CD2 TYR A 76 2.981 11.967 26.723 1.00 25.35 C ATOM 620 CE1 TYR A 76 4.797 13.210 28.412 1.00 28.06 C ATOM 621 CE2 TYR A 76 3.037 11.610 28.071 1.00 27.00 C ATOM 622 CZ TYR A 76 3.942 12.239 28.912 1.00 35.34 C ATOM 623 OH TYR A 76 3.988 11.915 30.245 1.00 40.34 O ATOM 624 HH TYR A 76 4.686 12.456 30.691 1.00 0.00 H ATOM 625 H TYR A 76 1.129 13.576 24.197 1.00 0.00 H ATOM 626 N CYS A 77 3.565 16.495 23.048 1.00 20.79 N ATOM 627 CA CYS A 77 3.624 17.187 21.758 1.00 19.73 C ATOM 628 C CYS A 77 4.976 17.855 21.477 1.00 23.31 C ATOM 629 O CYS A 77 5.054 18.641 20.530 1.00 21.75 O ATOM 630 CB CYS A 77 2.493 18.212 21.709 1.00 18.58 C ATOM 631 SG CYS A 77 2.459 19.349 23.127 1.00 21.88 S ATOM 632 H CYS A 77 3.830 17.005 23.915 1.00 0.00 H ATOM 633 N SER A 78 6.039 17.516 22.220 1.00 23.04 N ATOM 634 CA SER A 78 7.352 18.171 22.041 1.00 25.22 C ATOM 635 C SER A 78 8.036 17.926 20.674 1.00 32.70 C ATOM 636 O SER A 78 8.907 18.718 20.301 1.00 34.10 O ATOM 637 CB SER A 78 8.330 17.786 23.144 1.00 28.59 C ATOM 638 OG SER A 78 8.754 16.452 22.959 1.00 44.43 O ATOM 639 HG SER A 78 9.389 16.206 23.678 1.00 0.00 H ATOM 640 H SER A 78 5.937 16.773 22.941 1.00 0.00 H ATOM 641 N ASN A 79 7.678 16.869 19.940 1.00 27.83 N ATOM 642 CA ASN A 79 8.343 16.689 18.644 1.00 28.85 C ATOM 643 C ASN A 79 7.347 16.924 17.508 1.00 30.34 C ATOM 644 O ASN A 79 7.494 16.382 16.422 1.00 29.91 O ATOM 645 CB ASN A 79 8.987 15.293 18.555 1.00 34.37 C ATOM 646 H ASN A 79 6.956 16.199 20.274 1.00 0.00 H ATOM 647 N ASP A 80 6.327 17.750 17.766 1.00 24.56 N ATOM 648 CA ASP A 80 5.263 17.993 16.809 1.00 21.55 C ATOM 649 C ASP A 80 5.023 19.472 16.638 1.00 22.33 C ATOM 650 O ASP A 80 5.286 20.227 17.562 1.00 20.34 O ATOM 651 CB ASP A 80 3.995 17.300 17.342 1.00 21.42 C ATOM 652 CG ASP A 80 2.869 17.203 16.345 1.00 23.61 C ATOM 653 OD1 ASP A 80 2.797 16.187 15.638 1.00 25.36 O ATOM 654 OD2 ASP A 80 2.081 18.163 16.246 1.00 23.41 O ATOM 655 H ASP A 80 6.295 18.235 18.685 1.00 0.00 H ATOM 656 N LEU A 81 4.457 19.887 15.487 1.00 20.07 N ATOM 657 CA LEU A 81 4.053 21.273 15.235 1.00 20.60 C ATOM 658 C LEU A 81 3.147 21.785 16.390 1.00 22.21 C ATOM 659 O LEU A 81 3.255 22.947 16.777 1.00 19.66 O ATOM 660 CB LEU A 81 3.317 21.405 13.878 1.00 21.56 C ATOM 661 CG LEU A 81 2.690 22.803 13.561 1.00 27.53 C ATOM 662 CD1 LEU A 81 3.759 23.877 13.389 1.00 27.90 C ATOM 663 CD2 LEU A 81 1.788 22.754 12.334 1.00 31.72 C ATOM 664 H LEU A 81 4.298 19.185 14.736 1.00 0.00 H ATOM 665 N LEU A 82 2.297 20.908 16.969 1.00 18.03 N ATOM 666 CA LEU A 82 1.423 21.328 18.074 1.00 16.75 C ATOM 667 C LEU A 82 2.241 21.886 19.261 1.00 18.11 C ATOM 668 O LEU A 82 1.866 22.903 19.821 1.00 18.13 O ATOM 669 CB LEU A 82 0.513 20.181 18.535 1.00 16.57 C ATOM 670 CG LEU A 82 -0.587 20.578 19.541 1.00 20.97 C ATOM 671 CD1 LEU A 82 -1.526 21.681 18.963 1.00 19.77 C ATOM 672 CD2 LEU A 82 -1.351 19.327 20.037 1.00 20.27 C ATOM 673 H LEU A 82 2.261 19.926 16.629 1.00 0.00 H ATOM 674 N GLY A 83 3.359 21.245 19.568 1.00 17.21 N ATOM 675 CA GLY A 83 4.308 21.646 20.609 1.00 17.57 C ATOM 676 C GLY A 83 4.899 23.013 20.356 1.00 21.37 C ATOM 677 O GLY A 83 5.041 23.798 21.291 1.00 19.73 O ATOM 678 H GLY A 83 3.581 20.386 19.025 1.00 0.00 H ATOM 679 N ASP A 84 5.197 23.332 19.077 1.00 20.70 N ATOM 680 CA ASP A 84 5.731 24.651 18.667 1.00 20.92 C ATOM 681 C ASP A 84 4.683 25.740 18.836 1.00 21.64 C ATOM 682 O ASP A 84 4.996 26.833 19.286 1.00 20.72 O ATOM 683 CB ASP A 84 6.159 24.613 17.195 1.00 23.26 C ATOM 684 CG ASP A 84 7.336 23.718 16.891 1.00 31.72 C ATOM 685 OD1 ASP A 84 8.081 23.374 17.835 1.00 32.64 O ATOM 686 OD2 ASP A 84 7.574 23.448 15.698 1.00 37.88 O ATOM 687 H ASP A 84 5.043 22.613 18.342 1.00 0.00 H ATOM 688 N LEU A 85 3.435 25.436 18.478 1.00 16.07 N ATOM 689 CA LEU A 85 2.329 26.386 18.584 1.00 15.57 C ATOM 690 C LEU A 85 1.950 26.630 20.032 1.00 17.41 C ATOM 691 O LEU A 85 1.694 27.783 20.417 1.00 16.27 O ATOM 692 CB LEU A 85 1.101 25.891 17.792 1.00 15.16 C ATOM 693 CG LEU A 85 1.324 25.709 16.266 1.00 21.02 C ATOM 694 CD1 LEU A 85 0.010 25.491 15.539 1.00 21.53 C ATOM 695 CD2 LEU A 85 2.078 26.869 15.653 1.00 23.22 C ATOM 696 H LEU A 85 3.240 24.484 18.108 1.00 0.00 H ATOM 697 N PHE A 86 1.919 25.552 20.836 1.00 11.31 N ATOM 698 CA PHE A 86 1.478 25.676 22.231 1.00 11.62 C ATOM 699 C PHE A 86 2.603 26.153 23.141 1.00 16.96 C ATOM 700 O PHE A 86 2.325 26.654 24.219 1.00 19.36 O ATOM 701 CB PHE A 86 0.879 24.342 22.741 1.00 11.59 C ATOM 702 CG PHE A 86 -0.555 24.095 22.325 1.00 12.39 C ATOM 703 CD1 PHE A 86 -1.188 24.930 21.401 1.00 13.64 C ATOM 704 CD2 PHE A 86 -1.282 23.040 22.870 1.00 12.18 C ATOM 705 CE1 PHE A 86 -2.531 24.738 21.067 1.00 14.41 C ATOM 706 CE2 PHE A 86 -2.630 22.854 22.540 1.00 16.09 C ATOM 707 CZ PHE A 86 -3.248 23.703 21.634 1.00 13.88 C ATOM 708 H PHE A 86 2.209 24.624 20.467 1.00 0.00 H ATOM 709 N GLY A 87 3.846 25.959 22.731 1.00 14.45 N ATOM 710 CA GLY A 87 5.005 26.363 23.530 1.00 15.37 C ATOM 711 C GLY A 87 5.222 25.463 24.744 1.00 17.80 C ATOM 712 O GLY A 87 5.802 25.890 25.746 1.00 17.41 O ATOM 713 H GLY A 87 4.005 25.504 21.810 1.00 0.00 H ATOM 714 N VAL A 88 4.754 24.208 24.680 1.00 13.78 N ATOM 715 CA VAL A 88 4.936 23.272 25.829 1.00 14.45 C ATOM 716 C VAL A 88 5.333 21.886 25.316 1.00 16.11 C ATOM 717 O VAL A 88 4.926 21.543 24.211 1.00 16.15 O ATOM 718 CB VAL A 88 3.663 23.137 26.754 1.00 16.91 C ATOM 719 CG1 VAL A 88 3.321 24.442 27.463 1.00 16.22 C ATOM 720 CG2 VAL A 88 2.446 22.568 25.990 1.00 15.61 C ATOM 721 H VAL A 88 4.261 23.884 23.824 1.00 0.00 H ATOM 722 N PRO A 89 6.006 21.045 26.127 1.00 12.60 N ATOM 723 CA PRO A 89 6.295 19.678 25.673 1.00 12.96 C ATOM 724 C PRO A 89 5.109 18.724 25.872 1.00 18.61 C ATOM 725 O PRO A 89 5.076 17.654 25.259 1.00 18.99 O ATOM 726 CB PRO A 89 7.471 19.255 26.572 1.00 15.48 C ATOM 727 CG PRO A 89 7.246 20.001 27.856 1.00 18.66 C ATOM 728 CD PRO A 89 6.613 21.316 27.456 1.00 13.55 C ATOM 729 N SER A 90 4.172 19.078 26.779 1.00 16.09 N ATOM 730 CA SER A 90 3.023 18.244 27.147 1.00 14.88 C ATOM 731 C SER A 90 1.993 19.021 27.941 1.00 17.74 C ATOM 732 O SER A 90 2.291 20.086 28.474 1.00 14.67 O ATOM 733 CB SER A 90 3.473 17.035 27.977 1.00 17.87 C ATOM 734 OG SER A 90 3.872 17.424 29.280 1.00 24.20 O ATOM 735 HG SER A 90 4.156 16.624 29.789 1.00 0.00 H ATOM 736 H SER A 90 4.272 20.002 27.246 1.00 0.00 H ATOM 737 N PHE A 91 0.777 18.454 28.063 1.00 14.42 N ATOM 738 CA PHE A 91 -0.310 19.094 28.811 1.00 13.49 C ATOM 739 C PHE A 91 -1.395 18.089 29.082 1.00 17.84 C ATOM 740 O PHE A 91 -1.559 17.141 28.309 1.00 15.22 O ATOM 741 CB PHE A 91 -0.880 20.304 28.056 1.00 13.49 C ATOM 742 CG PHE A 91 -1.455 19.989 26.693 1.00 14.35 C ATOM 743 CD1 PHE A 91 -2.810 19.690 26.541 1.00 16.08 C ATOM 744 CD2 PHE A 91 -0.649 20.018 25.555 1.00 14.66 C ATOM 745 CE1 PHE A 91 -3.345 19.407 25.273 1.00 16.62 C ATOM 746 CE2 PHE A 91 -1.182 19.733 24.295 1.00 16.26 C ATOM 747 CZ PHE A 91 -2.530 19.446 24.161 1.00 15.37 C ATOM 748 H PHE A 91 0.604 17.533 27.612 1.00 0.00 H ATOM 749 N SER A 92 -2.152 18.314 30.156 1.00 16.89 N ATOM 750 CA SER A 92 -3.306 17.496 30.529 1.00 17.35 C ATOM 751 C SER A 92 -4.460 17.855 29.616 1.00 18.92 C ATOM 752 O SER A 92 -4.735 19.039 29.423 1.00 16.02 O ATOM 753 CB SER A 92 -3.679 17.744 31.991 1.00 21.23 C ATOM 754 OG SER A 92 -4.976 17.243 32.291 1.00 25.99 O ATOM 755 HG SER A 92 -5.185 17.420 33.242 1.00 0.00 H ATOM 756 H SER A 92 -1.907 19.120 30.766 1.00 0.00 H ATOM 757 N VAL A 93 -5.148 16.842 29.062 1.00 18.26 N ATOM 758 CA VAL A 93 -6.342 17.031 28.210 1.00 18.17 C ATOM 759 C VAL A 93 -7.558 17.476 29.061 1.00 19.70 C ATOM 760 O VAL A 93 -8.591 17.794 28.497 1.00 20.00 O ATOM 761 CB VAL A 93 -6.717 15.756 27.391 1.00 23.90 C ATOM 762 CG1 VAL A 93 -5.613 15.376 26.432 1.00 25.01 C ATOM 763 CG2 VAL A 93 -7.072 14.579 28.304 1.00 25.18 C ATOM 764 H VAL A 93 -4.823 15.871 29.243 1.00 0.00 H ATOM 765 N LYS A 94 -7.450 17.440 30.393 1.00 16.17 N ATOM 766 CA LYS A 94 -8.538 17.804 31.314 1.00 17.57 C ATOM 767 C LYS A 94 -8.503 19.273 31.781 1.00 21.41 C ATOM 768 O LYS A 94 -9.462 19.706 32.405 1.00 22.23 O ATOM 769 CB LYS A 94 -8.476 16.898 32.559 1.00 20.89 C ATOM 770 CG LYS A 94 -8.892 15.450 32.283 1.00 37.34 C ATOM 771 CD LYS A 94 -8.773 14.535 33.517 1.00 48.00 C ATOM 772 CE LYS A 94 -9.954 14.594 34.467 1.00 69.19 C ATOM 773 NZ LYS A 94 -11.188 13.989 33.890 1.00 84.83 N ATOM 774 HZ1 LYS A 94 -11.450 14.500 33.023 1.00 0.00 H ATOM 775 HZ2 LYS A 94 -11.010 12.990 33.664 1.00 0.00 H ATOM 776 HZ3 LYS A 94 -11.962 14.057 34.581 1.00 0.00 H ATOM 777 H LYS A 94 -6.543 17.137 30.802 1.00 0.00 H ATOM 778 N GLU A 95 -7.404 20.010 31.529 1.00 17.54 N ATOM 779 CA GLU A 95 -7.210 21.395 31.990 1.00 17.84 C ATOM 780 C GLU A 95 -7.583 22.308 30.844 1.00 16.48 C ATOM 781 O GLU A 95 -6.735 22.800 30.128 1.00 14.08 O ATOM 782 CB GLU A 95 -5.741 21.601 32.457 1.00 20.71 C ATOM 783 CG GLU A 95 -5.289 20.709 33.613 1.00 37.55 C ATOM 784 CD GLU A 95 -5.561 21.235 35.012 1.00 66.99 C ATOM 785 OE1 GLU A 95 -5.281 22.428 35.272 1.00 67.71 O ATOM 786 OE2 GLU A 95 -6.009 20.436 35.866 1.00 65.66 O ATOM 787 H GLU A 95 -6.642 19.572 30.972 1.00 0.00 H ATOM 788 N HIS A 96 -8.882 22.485 30.633 1.00 14.89 N ATOM 789 CA HIS A 96 -9.434 23.167 29.464 1.00 12.53 C ATOM 790 C HIS A 96 -9.112 24.663 29.382 1.00 14.17 C ATOM 791 O HIS A 96 -8.891 25.131 28.268 1.00 12.71 O ATOM 792 CB HIS A 96 -10.936 22.883 29.357 1.00 12.93 C ATOM 793 CG HIS A 96 -11.202 21.407 29.127 1.00 15.84 C ATOM 794 ND1 HIS A 96 -12.481 20.900 29.126 1.00 17.06 N ATOM 795 CD2 HIS A 96 -10.331 20.389 28.877 1.00 17.13 C ATOM 796 CE1 HIS A 96 -12.362 19.602 28.883 1.00 17.03 C ATOM 797 NE2 HIS A 96 -11.082 19.248 28.722 1.00 16.66 N ATOM 798 H HIS A 96 -9.547 22.116 31.342 1.00 0.00 H ATOM 799 N ARG A 97 -9.059 25.409 30.504 1.00 11.21 N ATOM 800 CA ARG A 97 -8.681 26.840 30.433 1.00 11.07 C ATOM 801 C ARG A 97 -7.253 26.949 29.904 1.00 13.74 C ATOM 802 O ARG A 97 -6.968 27.796 29.060 1.00 13.93 O ATOM 803 CB ARG A 97 -8.788 27.543 31.838 1.00 12.95 C ATOM 804 CG ARG A 97 -8.271 29.013 31.890 1.00 15.48 C ATOM 805 CD ARG A 97 -8.871 29.923 30.791 1.00 16.32 C ATOM 806 NE ARG A 97 -10.337 30.050 30.885 1.00 13.23 N ATOM 807 CZ ARG A 97 -11.108 30.572 29.937 1.00 21.56 C ATOM 808 NH1 ARG A 97 -10.585 31.021 28.810 1.00 11.97 N ATOM 809 NH2 ARG A 97 -12.424 30.651 30.121 1.00 12.45 N ATOM 810 HE ARG A 97 -10.799 29.708 31.752 1.00 0.00 H ATOM 811 HH12 ARG A 97 -11.200 31.427 28.077 1.00 0.00 H ATOM 812 HH11 ARG A 97 -9.558 30.968 28.656 1.00 0.00 H ATOM 813 HH22 ARG A 97 -13.029 31.059 29.380 1.00 0.00 H ATOM 814 HH21 ARG A 97 -12.847 30.304 31.006 1.00 0.00 H ATOM 815 H ARG A 97 -9.284 24.978 31.423 1.00 0.00 H ATOM 816 N LYS A 98 -6.342 26.096 30.406 1.00 11.78 N ATOM 817 CA LYS A 98 -4.948 26.157 29.954 1.00 11.62 C ATOM 818 C LYS A 98 -4.841 25.916 28.450 1.00 12.72 C ATOM 819 O LYS A 98 -3.984 26.507 27.812 1.00 12.11 O ATOM 820 CB LYS A 98 -4.059 25.134 30.713 1.00 15.29 C ATOM 821 CG LYS A 98 -4.030 25.278 32.259 1.00 23.36 C ATOM 822 CD LYS A 98 -3.267 26.501 32.739 1.00 33.42 C ATOM 823 CE LYS A 98 -2.978 26.525 34.236 1.00 44.52 C ATOM 824 NZ LYS A 98 -4.196 26.651 35.079 1.00 59.61 N ATOM 825 HZ1 LYS A 98 -4.688 27.536 34.844 1.00 0.00 H ATOM 826 HZ2 LYS A 98 -4.826 25.844 34.898 1.00 0.00 H ATOM 827 HZ3 LYS A 98 -3.922 26.661 36.082 1.00 0.00 H ATOM 828 H LYS A 98 -6.627 25.392 31.116 1.00 0.00 H ATOM 829 N ILE A 99 -5.657 24.992 27.906 1.00 10.12 N ATOM 830 CA ILE A 99 -5.662 24.633 26.484 1.00 9.21 C ATOM 831 C ILE A 99 -6.197 25.828 25.705 1.00 13.09 C ATOM 832 O ILE A 99 -5.619 26.193 24.694 1.00 13.80 O ATOM 833 CB ILE A 99 -6.479 23.317 26.254 1.00 10.78 C ATOM 834 CG1 ILE A 99 -5.709 22.108 26.817 1.00 11.31 C ATOM 835 CG2 ILE A 99 -6.744 23.080 24.757 1.00 12.20 C ATOM 836 CD1 ILE A 99 -6.616 20.810 26.978 1.00 9.91 C ATOM 837 H ILE A 99 -6.326 24.502 28.534 1.00 0.00 H ATOM 838 N TYR A 100 -7.286 26.452 26.197 1.00 10.19 N ATOM 839 CA TYR A 100 -7.859 27.644 25.583 1.00 10.72 C ATOM 840 C TYR A 100 -6.806 28.739 25.514 1.00 12.77 C ATOM 841 O TYR A 100 -6.592 29.268 24.442 1.00 10.92 O ATOM 842 CB TYR A 100 -9.125 28.120 26.347 1.00 12.71 C ATOM 843 CG TYR A 100 -10.389 27.694 25.625 1.00 13.56 C ATOM 844 CD1 TYR A 100 -11.248 28.635 25.064 1.00 15.86 C ATOM 845 CD2 TYR A 100 -10.671 26.346 25.414 1.00 13.66 C ATOM 846 CE1 TYR A 100 -12.401 28.242 24.370 1.00 15.70 C ATOM 847 CE2 TYR A 100 -11.798 25.943 24.693 1.00 14.76 C ATOM 848 CZ TYR A 100 -12.668 26.892 24.184 1.00 18.16 C ATOM 849 OH TYR A 100 -13.768 26.487 23.467 1.00 14.66 O ATOM 850 HH TYR A 100 -14.339 25.913 24.037 1.00 0.00 H ATOM 851 H TYR A 100 -7.737 26.067 27.051 1.00 0.00 H ATOM 852 N THR A 101 -6.067 28.979 26.605 1.00 10.57 N ATOM 853 CA THR A 101 -4.999 30.000 26.637 1.00 10.32 C ATOM 854 C THR A 101 -3.953 29.722 25.518 1.00 13.84 C ATOM 855 O THR A 101 -3.547 30.632 24.807 1.00 13.62 O ATOM 856 CB THR A 101 -4.372 29.993 28.044 1.00 13.95 C ATOM 857 OG1 THR A 101 -5.394 30.397 28.965 1.00 13.86 O ATOM 858 CG2 THR A 101 -3.104 30.933 28.175 1.00 9.76 C ATOM 859 HG1 THR A 101 -5.025 30.404 29.884 1.00 0.00 H ATOM 860 H THR A 101 -6.252 28.424 27.465 1.00 0.00 H ATOM 861 N MET A 102 -3.517 28.466 25.370 1.00 11.06 N ATOM 862 CA MET A 102 -2.490 28.136 24.363 1.00 10.72 C ATOM 863 C MET A 102 -3.017 28.296 22.931 1.00 15.70 C ATOM 864 O MET A 102 -2.273 28.753 22.049 1.00 15.58 O ATOM 865 CB MET A 102 -1.959 26.720 24.599 1.00 11.85 C ATOM 866 CG MET A 102 -1.208 26.620 25.932 1.00 14.80 C ATOM 867 SD MET A 102 -0.435 24.997 26.188 1.00 17.22 S ATOM 868 CE MET A 102 -1.816 23.945 26.429 1.00 13.34 C ATOM 869 H MET A 102 -3.907 27.713 25.972 1.00 0.00 H ATOM 870 N ILE A 103 -4.315 27.987 22.717 1.00 11.76 N ATOM 871 CA ILE A 103 -4.952 28.125 21.393 1.00 10.93 C ATOM 872 C ILE A 103 -5.115 29.604 21.016 1.00 14.10 C ATOM 873 O ILE A 103 -4.822 29.966 19.868 1.00 13.77 O ATOM 874 CB ILE A 103 -6.316 27.367 21.320 1.00 12.65 C ATOM 875 CG1 ILE A 103 -6.112 25.857 21.539 1.00 11.30 C ATOM 876 CG2 ILE A 103 -7.033 27.630 19.953 1.00 13.35 C ATOM 877 CD1 ILE A 103 -7.391 25.095 21.768 1.00 10.85 C ATOM 878 H ILE A 103 -4.886 27.639 23.514 1.00 0.00 H ATOM 879 N TYR A 104 -5.582 30.459 21.964 1.00 11.59 N ATOM 880 CA TYR A 104 -5.796 31.886 21.703 1.00 12.65 C ATOM 881 C TYR A 104 -4.552 32.591 21.164 1.00 16.78 C ATOM 882 O TYR A 104 -4.696 33.545 20.403 1.00 15.30 O ATOM 883 CB TYR A 104 -6.247 32.624 22.967 1.00 14.06 C ATOM 884 CG TYR A 104 -7.721 32.467 23.289 1.00 14.31 C ATOM 885 CD1 TYR A 104 -8.139 32.124 24.573 1.00 15.46 C ATOM 886 CD2 TYR A 104 -8.697 32.760 22.340 1.00 15.31 C ATOM 887 CE1 TYR A 104 -9.492 32.018 24.888 1.00 15.17 C ATOM 888 CE2 TYR A 104 -10.057 32.637 22.636 1.00 16.96 C ATOM 889 CZ TYR A 104 -10.447 32.297 23.919 1.00 22.77 C ATOM 890 OH TYR A 104 -11.773 32.210 24.208 1.00 16.45 O ATOM 891 HH TYR A 104 -11.887 31.959 25.159 1.00 0.00 H ATOM 892 H TYR A 104 -5.796 30.087 22.911 1.00 0.00 H ATOM 893 N ARG A 105 -3.342 32.139 21.548 1.00 14.69 N ATOM 894 CA ARG A 105 -2.068 32.723 21.069 1.00 15.11 C ATOM 895 C ARG A 105 -1.853 32.464 19.580 1.00 19.37 C ATOM 896 O ARG A 105 -1.022 33.113 18.949 1.00 20.03 O ATOM 897 CB ARG A 105 -0.871 32.129 21.832 1.00 13.83 C ATOM 898 CG ARG A 105 -0.942 32.275 23.334 1.00 23.07 C ATOM 899 CD ARG A 105 0.442 32.429 23.922 1.00 33.24 C ATOM 900 NE ARG A 105 0.706 31.457 24.984 1.00 43.02 N ATOM 901 CZ ARG A 105 0.377 31.634 26.258 1.00 53.44 C ATOM 902 NH1 ARG A 105 -0.248 32.736 26.641 1.00 38.41 N ATOM 903 NH2 ARG A 105 0.657 30.704 27.156 1.00 42.13 N ATOM 904 HE ARG A 105 1.182 30.570 24.724 1.00 0.00 H ATOM 905 HH12 ARG A 105 -0.503 32.869 27.641 1.00 0.00 H ATOM 906 HH11 ARG A 105 -0.484 33.469 25.942 1.00 0.00 H ATOM 907 HH22 ARG A 105 0.397 30.848 28.153 1.00 0.00 H ATOM 908 HH21 ARG A 105 1.137 29.829 26.866 1.00 0.00 H ATOM 909 H ARG A 105 -3.301 31.341 22.213 1.00 0.00 H ATOM 910 N ASN A 106 -2.600 31.508 19.008 1.00 16.47 N ATOM 911 CA ASN A 106 -2.417 31.105 17.595 1.00 17.44 C ATOM 912 C ASN A 106 -3.554 31.524 16.671 1.00 20.65 C ATOM 913 O ASN A 106 -3.698 30.983 15.574 1.00 19.87 O ATOM 914 CB ASN A 106 -2.250 29.581 17.543 1.00 16.34 C ATOM 915 CG ASN A 106 -1.000 29.152 18.250 1.00 29.65 C ATOM 916 OD1 ASN A 106 0.101 29.309 17.740 1.00 32.20 O ATOM 917 ND2 ASN A 106 -1.136 28.718 19.483 1.00 18.72 N ATOM 918 HD22 ASN A 106 -2.085 28.595 19.889 1.00 0.00 H ATOM 919 HD21 ASN A 106 -0.294 28.498 20.053 1.00 0.00 H ATOM 920 H ASN A 106 -3.332 31.034 19.575 1.00 0.00 H ATOM 921 N LEU A 107 -4.345 32.500 17.097 1.00 18.10 N ATOM 922 CA LEU A 107 -5.452 32.986 16.290 1.00 19.11 C ATOM 923 C LEU A 107 -5.725 34.454 16.577 1.00 25.49 C ATOM 924 O LEU A 107 -5.138 35.029 17.504 1.00 24.71 O ATOM 925 CB LEU A 107 -6.723 32.137 16.536 1.00 18.80 C ATOM 926 CG LEU A 107 -7.160 31.889 17.996 1.00 21.75 C ATOM 927 CD1 LEU A 107 -7.933 33.096 18.553 1.00 23.10 C ATOM 928 CD2 LEU A 107 -8.043 30.690 18.059 1.00 20.99 C ATOM 929 H LEU A 107 -4.169 32.927 18.029 1.00 0.00 H ATOM 930 N VAL A 108 -6.653 35.045 15.806 1.00 23.09 N ATOM 931 CA VAL A 108 -7.105 36.429 15.983 1.00 23.59 C ATOM 932 C VAL A 108 -8.612 36.358 16.191 1.00 27.73 C ATOM 933 O VAL A 108 -9.314 35.710 15.400 1.00 27.13 O ATOM 934 CB VAL A 108 -6.696 37.370 14.810 1.00 28.78 C ATOM 935 CG1 VAL A 108 -7.316 38.769 14.968 1.00 30.59 C ATOM 936 CG2 VAL A 108 -5.176 37.469 14.676 1.00 28.16 C ATOM 937 H VAL A 108 -7.077 34.487 15.037 1.00 0.00 H ATOM 938 N VAL A 109 -9.109 36.950 17.297 1.00 24.04 N ATOM 939 CA VAL A 109 -10.547 36.957 17.578 1.00 23.66 C ATOM 940 C VAL A 109 -11.152 37.930 16.558 1.00 29.69 C ATOM 941 O VAL A 109 -10.568 38.984 16.318 1.00 28.67 O ATOM 942 CB VAL A 109 -10.888 37.305 19.066 1.00 27.06 C ATOM 943 CG1 VAL A 109 -12.385 37.563 19.259 1.00 27.35 C ATOM 944 CG2 VAL A 109 -10.420 36.202 20.015 1.00 25.13 C ATOM 945 H VAL A 109 -8.458 37.411 17.964 1.00 0.00 H ATOM 946 N VAL A 110 -12.235 37.518 15.883 1.00 27.79 N ATOM 947 CA VAL A 110 -12.909 38.317 14.866 1.00 30.17 C ATOM 948 C VAL A 110 -13.560 39.543 15.542 1.00 39.95 C ATOM 949 O VAL A 110 -14.285 39.398 16.532 1.00 38.01 O ATOM 950 CB VAL A 110 -13.931 37.480 14.046 1.00 33.12 C ATOM 951 CG1 VAL A 110 -14.772 38.370 13.124 1.00 35.21 C ATOM 952 CG2 VAL A 110 -13.220 36.407 13.229 1.00 31.24 C ATOM 953 H VAL A 110 -12.616 36.574 16.097 1.00 0.00 H ATOM 954 N ASN A 111 -13.267 40.747 15.005 1.00 30.05 N ATOM 955 CA ASN A 111 -13.791 42.020 15.512 1.00 67.01 C ATOM 956 C ASN A 111 -15.267 42.175 15.143 1.00 91.76 C ATOM 957 O ASN A 111 -15.678 41.799 14.047 1.00 56.55 O ATOM 958 CB ASN A 111 -12.960 43.213 14.989 1.00 70.98 C ATOM 959 H ASN A 111 -12.631 40.773 14.182 1.00 0.00 H TER 960 ASN A 111 HETATM 961 O HOH 1 -1.560 34.775 26.227 1.00 55.65 O HETATM 962 O HOH 2 2.595 27.901 26.544 1.00 32.80 O HETATM 963 O HOH 3 0.507 28.524 28.472 1.00 19.09 O HETATM 964 O HOH 4 -11.738 36.497 24.289 1.00 36.95 O HETATM 965 O HOH 5 -14.785 24.029 23.527 1.00 14.73 O HETATM 966 O HOH 6 -21.089 26.954 23.659 1.00 25.86 O HETATM 967 O HOH 7 -12.609 41.419 11.716 1.00 60.49 O HETATM 968 O HOH 8 -18.513 28.512 12.227 1.00 42.32 O HETATM 969 O HOH 9 3.970 31.855 24.520 1.00 45.83 O HETATM 970 O HOH 10 -6.239 35.709 20.717 1.00 30.81 O HETATM 971 O HOH 11 3.253 11.770 15.421 1.00 40.99 O HETATM 972 O HOH 12 -4.130 21.634 29.742 1.00 33.61 O HETATM 973 O HOH 13 -3.777 35.397 23.722 1.00 23.64 O HETATM 974 O HOH 14 0.329 29.088 22.662 1.00 35.40 O HETATM 975 O HOH 15 -9.087 8.950 27.512 1.00 44.53 O HETATM 976 O HOH 16 6.246 28.521 26.188 1.00 29.23 O HETATM 977 O HOH 17 -7.794 31.872 9.221 1.00 24.21 O HETATM 978 O HOH 18 4.460 14.041 15.786 1.00 26.39 O HETATM 979 O HOH 19 -4.382 29.696 31.398 1.00 20.28 O HETATM 980 O HOH 20 -2.079 28.749 6.390 1.00 32.07 O HETATM 981 O HOH 21 -9.590 25.389 2.302 1.00 45.61 O HETATM 982 O HOH 22 -13.228 34.455 23.634 1.00 23.66 O HETATM 983 O HOH 23 -20.121 25.695 29.662 1.00 36.96 O HETATM 984 O HOH 24 -20.497 24.712 33.441 1.00 45.41 O HETATM 985 O HOH 25 -10.219 24.604 33.196 1.00 21.00 O HETATM 986 O HOH 26 -2.625 21.789 5.535 1.00 41.79 O HETATM 987 O HOH 27 -20.474 37.242 25.127 1.00 30.55 O HETATM 988 O HOH 28 -3.879 33.352 25.411 1.00 19.10 O HETATM 989 O HOH 29 -20.615 21.425 27.236 1.00 39.38 O HETATM 990 O HOH 30 7.449 27.320 20.649 1.00 32.21 O HETATM 991 O HOH 31 -7.778 31.653 28.042 1.00 15.00 O HETATM 992 O HOH 32 -1.748 27.571 29.223 1.00 18.17 O HETATM 993 O HOH 33 1.580 19.157 11.341 1.00 43.05 O HETATM 994 O HOH 34 3.949 33.824 26.373 1.00 54.75 O HETATM 995 O HOH 35 -4.241 32.515 8.635 1.00 31.34 O HETATM 996 O HOH 36 -5.514 35.365 11.680 1.00 29.39 O HETATM 997 O HOH 37 -7.128 37.992 19.146 1.00 26.53 O HETATM 998 O HOH 38 -17.634 36.074 18.187 1.00 31.59 O HETATM 999 O HOH 39 4.655 18.134 13.143 1.00 31.91 O HETATM 1000 O HOH 40 -21.928 28.376 30.311 1.00 41.18 O HETATM 1001 O HOH 41 1.015 31.132 12.474 1.00 26.58 O HETATM 1002 O HOH 42 -8.274 38.975 21.378 1.00 36.62 O HETATM 1003 O HOH 43 -13.494 29.297 32.682 1.00 31.90 O HETATM 1004 O HOH 44 -9.805 22.099 0.586 1.00 36.91 O HETATM 1005 O HOH 45 -3.347 36.286 19.618 1.00 52.99 O HETATM 1006 O HOH 46 -19.957 34.703 21.432 1.00 40.96 O HETATM 1007 O HOH 47 -0.643 29.821 14.277 1.00 27.31 O HETATM 1008 O HOH 48 -14.628 23.564 7.543 1.00 33.67 O HETATM 1009 O HOH 49 5.594 14.575 20.231 1.00 36.65 O HETATM 1010 O HOH 50 -11.693 26.687 34.035 1.00 43.96 O HETATM 1011 O HOH 51 7.542 21.951 22.395 1.00 49.28 O HETATM 1012 O HOH 52 -3.397 9.099 20.278 1.00 50.44 O HETATM 1013 O HOH 53 -7.324 17.344 4.101 1.00 50.52 O HETATM 1014 O HOH 54 -17.878 30.503 10.533 1.00 53.23 O HETATM 1015 O HOH 55 4.844 13.667 11.771 1.00 58.96 O HETATM 1016 O HOH 56 4.211 29.993 26.412 1.00 51.09 O HETATM 1017 O HOH 57 -7.351 24.587 33.322 1.00 21.13 O HETATM 1018 O HOH 58 -18.287 39.827 15.027 1.00 53.40 O HETATM 1019 O HOH 59 7.527 21.134 13.119 1.00 58.17 O HETATM 1020 O HOH 60 -7.734 13.168 9.695 1.00 64.38 O HETATM 1021 O HOH 61 0.430 20.714 9.356 1.00 54.15 O HETATM 1022 O HOH 62 -16.719 28.970 33.246 1.00 48.26 O HETATM 1023 O HOH 63 -3.678 26.849 5.281 1.00 38.67 O HETATM 1024 O HOH 64 -6.185 33.843 26.994 1.00 19.07 O HETATM 1025 O HOH 65 -9.962 24.527 -0.289 1.00 48.85 O HETATM 1026 O HOH 66 -13.032 15.417 19.129 1.00 49.26 O HETATM 1027 O HOH 67 2.102 9.440 23.321 1.00 53.50 O HETATM 1028 O HOH 68 5.453 13.310 17.921 1.00 38.49 O HETATM 1029 O HOH 69 -21.803 30.655 31.315 1.00 43.80 O HETATM 1030 O HOH 70 -21.919 25.139 25.380 1.00 38.59 O HETATM 1031 O HOH 71 -3.133 31.199 6.025 1.00 40.02 O HETATM 1032 O3 UNN A 72 -12.165 17.186 22.272 1.00 -0.32 O HETATM 1033 C23 UNN A 72 -11.052 17.660 22.491 1.00 0.22 C HETATM 1034 C22 UNN A 72 -10.170 17.353 23.738 1.00 0.09 C HETATM 1035 C15 UNN A 72 -10.950 17.697 25.064 1.00 0.04 C HETATM 1036 C7 UNN A 72 -11.820 16.368 25.316 1.00 0.07 C HETATM 1037 C8 UNN A 72 -11.712 15.922 26.768 1.00 0.23 C HETATM 1038 O1 UNN A 72 -11.985 16.703 27.676 1.00 -0.39 O HETATM 1039 N2 UNN A 72 -11.322 14.656 26.972 1.00 -0.28 N HETATM 1040 C9 UNN A 72 -11.133 14.033 28.280 1.00 0.04 C HETATM 1041 C10 UNN A 72 -12.473 13.727 28.935 1.00 -0.03 C HETATM 1042 C11 UNN A 72 -12.287 13.027 30.288 1.00 -0.02 C HETATM 1043 C12 UNN A 72 -11.457 11.765 30.158 1.00 0.06 C HETATM 1044 C13 UNN A 72 -10.124 12.059 29.495 1.00 -0.02 C HETATM 1045 C14 UNN A 72 -10.307 12.759 28.145 1.00 -0.03 C HETATM 1046 H11 UNN A 72 -9.317 13.017 27.740 1.00 0.03 H HETATM 1047 H12 UNN A 72 -10.819 12.073 27.454 1.00 0.03 H HETATM 1048 H3 UNN A 72 -9.588 11.112 29.336 1.00 0.03 H HETATM 1049 H4 UNN A 72 -9.532 12.709 30.156 1.00 0.03 H HETATM 1050 O2 UNN A 72 -11.227 11.232 31.466 1.00 -0.39 O HETATM 1051 H14 UNN A 72 -10.707 10.440 31.397 1.00 0.21 H HETATM 1052 H2 UNN A 72 -12.007 11.030 29.552 1.00 0.06 H HETATM 1053 H5 UNN A 72 -11.781 13.717 30.979 1.00 0.03 H HETATM 1054 H6 UNN A 72 -13.276 12.763 30.692 1.00 0.03 H HETATM 1055 H7 UNN A 72 -13.055 13.072 28.270 1.00 0.03 H HETATM 1056 H8 UNN A 72 -13.019 14.669 29.091 1.00 0.03 H HETATM 1057 H1 UNN A 72 -10.585 14.737 28.924 1.00 0.06 H HETATM 1058 H25 UNN A 72 -11.146 14.093 26.165 1.00 0.19 H HETATM 1059 N1 UNN A 72 -11.319 15.375 24.361 1.00 0.24 N HETATM 1060 C6 UNN A 72 -9.985 15.817 23.886 1.00 -0.04 C HETATM 1061 C5 UNN A 72 -9.545 15.094 22.602 1.00 -0.02 C HETATM 1062 C2 UNN A 72 -8.634 13.852 22.729 1.00 -0.03 C HETATM 1063 C4 UNN A 72 -7.254 14.261 23.229 1.00 -0.06 C HETATM 1064 H18 UNN A 72 -6.616 13.369 23.315 1.00 0.02 H HETATM 1065 H19 UNN A 72 -7.348 14.741 24.214 1.00 0.02 H HETATM 1066 H20 UNN A 72 -6.801 14.968 22.519 1.00 0.02 H HETATM 1067 C1 UNN A 72 -8.486 13.212 21.354 1.00 -0.06 C HETATM 1068 H21 UNN A 72 -9.476 12.912 20.981 1.00 0.02 H HETATM 1069 H22 UNN A 72 -7.838 12.326 21.430 1.00 0.02 H HETATM 1070 H23 UNN A 72 -8.037 13.936 20.659 1.00 0.02 H HETATM 1071 C3 UNN A 72 -9.241 12.831 23.692 1.00 -0.06 C HETATM 1072 H32 UNN A 72 -9.351 13.286 24.687 1.00 0.02 H HETATM 1073 H33 UNN A 72 -8.581 11.954 23.761 1.00 0.02 H HETATM 1074 H34 UNN A 72 -10.228 12.518 23.321 1.00 0.02 H HETATM 1075 H16 UNN A 72 -10.459 14.774 22.080 1.00 0.03 H HETATM 1076 H17 UNN A 72 -9.008 15.829 21.984 1.00 0.03 H HETATM 1077 H35 UNN A 72 -9.227 15.613 24.657 1.00 0.07 H HETATM 1078 H9 UNN A 72 -11.952 15.303 23.580 1.00 0.20 H HETATM 1079 H10 UNN A 72 -11.240 14.477 24.813 1.00 0.20 H HETATM 1080 H15 UNN A 72 -12.879 16.573 25.099 1.00 0.11 H HETATM 1081 C16 UNN A 72 -11.631 19.057 25.087 1.00 -0.01 C HETATM 1082 C21 UNN A 72 -10.870 20.179 25.484 1.00 0.15 C HETATM 1083 C20 UNN A 72 -11.412 21.439 25.448 1.00 0.07 C HETATM 1084 C19 UNN A 72 -12.708 21.650 25.008 1.00 -0.06 C HETATM 1085 C18 UNN A 72 -13.475 20.558 24.617 1.00 -0.07 C HETATM 1086 C17 UNN A 72 -12.944 19.270 24.667 1.00 -0.06 C HETATM 1087 H30 UNN A 72 -13.558 18.425 24.376 1.00 0.05 H HETATM 1088 H27 UNN A 72 -14.491 20.709 24.271 1.00 0.06 H HETATM 1089 H26 UNN A 72 -13.119 22.652 24.969 1.00 0.06 H HETATM 1090 CL1 UNN A 72 -10.443 22.785 25.945 1.00 -0.07 CL HETATM 1091 F UNN A 72 -9.610 20.072 25.930 1.00 -0.19 F HETATM 1092 H13 UNN A 72 -10.212 17.750 25.878 1.00 0.04 H HETATM 1093 C29 UNN A 72 -8.930 18.149 23.408 1.00 -0.02 C HETATM 1094 C24 UNN A 72 -9.116 18.805 22.193 1.00 0.09 C HETATM 1095 C25 UNN A 72 -8.122 19.634 21.677 1.00 0.00 C HETATM 1096 C26 UNN A 72 -6.957 19.805 22.401 1.00 0.06 C HETATM 1097 C27 UNN A 72 -6.745 19.147 23.605 1.00 -0.03 C HETATM 1098 C28 UNN A 72 -7.734 18.314 24.101 1.00 -0.05 C HETATM 1099 H28 UNN A 72 -7.576 17.787 25.035 1.00 0.08 H HETATM 1100 H31 UNN A 72 -5.818 19.283 24.150 1.00 0.06 H HETATM 1101 CL2 UNN A 72 -5.738 20.883 21.790 1.00 -0.05 CL HETATM 1102 H24 UNN A 72 -8.260 20.135 20.726 1.00 0.06 H HETATM 1103 N3 UNN A 72 -10.370 18.503 21.684 1.00 -0.22 N HETATM 1104 H29 UNN A 72 -10.727 18.865 20.823 1.00 0.24 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 570 571 581 582 583 CONECT 581 570 CONECT 582 570 CONECT 583 570 CONECT 1032 1033 CONECT 1033 1032 1034 1103 CONECT 1034 1033 1035 1060 1093 CONECT 1035 1034 1036 1081 1092 CONECT 1036 1035 1037 1059 1080 CONECT 1037 1036 1038 1039 CONECT 1038 1037 CONECT 1039 1037 1040 1058 CONECT 1040 1039 1041 1045 1057 CONECT 1041 1040 1042 1055 1056 CONECT 1042 1041 1043 1053 1054 CONECT 1043 1042 1044 1050 1052 CONECT 1044 1043 1045 1048 1049 CONECT 1045 1040 1044 1046 1047 CONECT 1046 1045 CONECT 1047 1045 CONECT 1048 1044 CONECT 1049 1044 CONECT 1050 1043 1051 CONECT 1051 1050 CONECT 1052 1043 CONECT 1053 1042 CONECT 1054 1042 CONECT 1055 1041 CONECT 1056 1041 CONECT 1057 1040 CONECT 1058 1039 CONECT 1059 1036 1060 1078 1079 CONECT 1060 1034 1059 1061 1077 CONECT 1061 1060 1062 1075 1076 CONECT 1062 1061 1063 1067 1071 CONECT 1063 1062 1064 1065 1066 CONECT 1064 1063 CONECT 1065 1063 CONECT 1066 1063 CONECT 1067 1062 1068 1069 1070 CONECT 1068 1067 CONECT 1069 1067 CONECT 1070 1067 CONECT 1071 1062 1072 1073 1074 CONECT 1072 1071 CONECT 1073 1071 CONECT 1074 1071 CONECT 1075 1061 CONECT 1076 1061 CONECT 1077 1060 CONECT 1078 1059 CONECT 1079 1059 CONECT 1080 1036 CONECT 1081 1035 1082 1086 CONECT 1082 1081 1083 1091 CONECT 1083 1082 1084 1090 CONECT 1084 1083 1085 1089 CONECT 1085 1084 1086 1088 CONECT 1086 1081 1085 1087 CONECT 1087 1086 CONECT 1088 1085 CONECT 1089 1084 CONECT 1090 1083 CONECT 1091 1082 CONECT 1092 1035 CONECT 1093 1034 1094 1098 CONECT 1094 1093 1095 1103 CONECT 1095 1094 1096 1102 CONECT 1096 1095 1097 1101 CONECT 1097 1096 1098 1100 CONECT 1098 1093 1097 1099 CONECT 1099 1098 CONECT 1100 1097 CONECT 1101 1096 CONECT 1102 1095 CONECT 1103 1033 1094 1104 CONECT 1104 1103 MASTER 0 0 0 0 0 0 0 0 1102 2 81 9 END
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RCSB PDB
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RCSB PDB
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4mdq
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5trf
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
7HC
EC.Number
E.C.6.3.2
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Ki=0.88nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Cancer Res. Vol. 74: pp. 5855-5865
Ligand Properties
Formula
C
2
9
H
3
5
Cl
2
FN
3
O
3
Molecular Weight
563.511
Exact Mass
562.204
No. of atoms
73
No. of bonds
77
Polar Surface Area
95.04
LOGP Value
5.26 (
Computed with XLOGP3
)
6.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
O[C@@H]1CC[C@H](CC1)NC(=O)[C@@H]1[NH2+][C@H]([C@]2([C@H]1c1cccc(c1F)Cl)C(=O)Nc1c2ccc(c1)Cl)CC(C)(C)C
InChI String
InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/p+1/t16-,17-,22-,23-,25+,29+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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