Browse entries in the PDBbind-CN Database
HEADER 4ZFI_COMPLEX COMPND 4ZFI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 95 GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG PRO SEQRES 2 A 95 LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY ALA SEQRES 3 A 95 GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE TYR SEQRES 4 A 95 LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP GLU SEQRES 5 A 95 LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU LEU SEQRES 6 A 95 GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS GLU SEQRES 7 A 95 HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU VAL SEQRES 8 A 95 VAL VAL ASN GLN HET UNN A 187 55 ATOM 1 N GLN A 18 18.728 15.124 22.839 1.00 66.80 N ATOM 2 CA GLN A 18 18.310 13.891 23.560 1.00 60.33 C ATOM 3 C GLN A 18 16.790 13.957 23.695 1.00 52.95 C ATOM 4 O GLN A 18 16.146 14.500 22.809 1.00 56.38 O ATOM 5 CB GLN A 18 19.028 13.812 24.890 1.00 62.38 C ATOM 6 CG GLN A 18 18.907 15.040 25.767 1.00 62.64 C ATOM 7 CD GLN A 18 19.360 14.702 27.162 1.00 67.14 C ATOM 8 OE1 GLN A 18 18.544 14.359 28.022 1.00 64.30 O ATOM 9 NE2 GLN A 18 20.670 14.716 27.377 1.00 64.65 N ATOM 10 HE22 GLN A 18 21.318 15.013 26.620 1.00 0.00 H ATOM 11 HE21 GLN A 18 21.048 14.430 28.303 1.00 0.00 H ATOM 12 HN3 GLN A 18 18.440 15.959 23.388 1.00 0.00 H ATOM 13 HN2 GLN A 18 18.273 15.148 21.904 1.00 0.00 H ATOM 14 HN1 GLN A 18 19.762 15.123 22.723 1.00 0.00 H ATOM 15 N ILE A 19 16.206 13.426 24.762 1.00 47.78 N ATOM 16 CA ILE A 19 14.770 13.491 24.933 1.00 40.41 C ATOM 17 C ILE A 19 14.537 14.150 26.258 1.00 38.94 C ATOM 18 O ILE A 19 15.034 13.691 27.274 1.00 40.86 O ATOM 19 CB ILE A 19 14.102 12.099 25.002 1.00 37.29 C ATOM 20 CG1 ILE A 19 14.484 11.244 23.789 1.00 35.38 C ATOM 21 CG2 ILE A 19 12.586 12.253 25.161 1.00 38.36 C ATOM 22 CD1 ILE A 19 13.775 11.613 22.502 1.00 32.05 C ATOM 23 H ILE A 19 16.788 12.957 25.485 1.00 0.00 H ATOM 24 N PRO A 20 13.722 15.200 26.279 1.00 40.55 N ATOM 25 CA PRO A 20 13.496 15.819 27.613 1.00 42.29 C ATOM 26 C PRO A 20 12.882 14.841 28.639 1.00 43.10 C ATOM 27 O PRO A 20 12.038 14.028 28.266 1.00 42.25 O ATOM 28 CB PRO A 20 12.530 16.972 27.313 1.00 42.55 C ATOM 29 CG PRO A 20 12.421 17.080 25.826 1.00 41.60 C ATOM 30 CD PRO A 20 12.898 15.786 25.215 1.00 38.47 C ATOM 31 N ALA A 21 13.253 14.974 29.918 1.00 43.55 N ATOM 32 CA ALA A 21 12.703 14.140 31.001 1.00 46.08 C ATOM 33 C ALA A 21 11.196 14.143 31.066 1.00 43.00 C ATOM 34 O ALA A 21 10.572 13.096 31.230 1.00 40.59 O ATOM 35 CB ALA A 21 13.249 14.562 32.359 1.00 48.61 C ATOM 36 H ALA A 21 13.960 15.698 30.158 1.00 0.00 H ATOM 37 N SER A 22 10.593 15.312 30.923 1.00 41.73 N ATOM 38 CA SER A 22 9.138 15.338 30.893 1.00 44.51 C ATOM 39 C SER A 22 8.593 14.334 29.846 1.00 38.31 C ATOM 40 O SER A 22 7.550 13.707 30.049 1.00 38.76 O ATOM 41 CB SER A 22 8.601 16.765 30.637 1.00 45.38 C ATOM 42 OG SER A 22 8.930 17.213 29.319 1.00 50.33 O ATOM 43 HG SER A 22 8.574 18.127 29.184 1.00 0.00 H ATOM 44 H SER A 22 11.144 16.189 30.834 1.00 0.00 H ATOM 45 N GLU A 23 9.269 14.203 28.703 1.00 38.53 N ATOM 46 CA GLU A 23 8.704 13.419 27.603 1.00 37.70 C ATOM 47 C GLU A 23 8.900 11.913 27.874 1.00 32.00 C ATOM 48 O GLU A 23 8.086 11.067 27.439 1.00 30.50 O ATOM 49 CB GLU A 23 9.270 13.853 26.239 1.00 37.42 C ATOM 50 CG GLU A 23 8.537 13.188 25.101 1.00 40.84 C ATOM 51 CD GLU A 23 9.022 13.587 23.713 1.00 40.49 C ATOM 52 OE1 GLU A 23 9.889 14.492 23.638 1.00 36.65 O ATOM 53 OE2 GLU A 23 8.479 12.986 22.721 1.00 34.63 O ATOM 54 H GLU A 23 10.198 14.658 28.593 1.00 0.00 H ATOM 55 N GLN A 24 9.947 11.580 28.609 1.00 31.47 N ATOM 56 CA GLN A 24 10.177 10.178 28.999 1.00 31.77 C ATOM 57 C GLN A 24 9.108 9.704 29.936 1.00 31.07 C ATOM 58 O GLN A 24 8.818 8.496 30.042 1.00 28.06 O ATOM 59 CB GLN A 24 11.567 10.052 29.639 1.00 34.71 C ATOM 60 CG GLN A 24 12.680 10.620 28.744 1.00 38.58 C ATOM 61 CD GLN A 24 14.082 10.407 29.282 1.00 44.69 C ATOM 62 OE1 GLN A 24 14.333 9.458 30.026 1.00 48.01 O ATOM 63 NE2 GLN A 24 15.014 11.296 28.895 1.00 48.48 N ATOM 64 HE22 GLN A 24 14.754 12.082 28.265 1.00 0.00 H ATOM 65 HE21 GLN A 24 15.995 11.198 29.226 1.00 0.00 H ATOM 66 H GLN A 24 10.615 12.315 28.915 1.00 0.00 H ATOM 67 N GLU A 25 8.551 10.657 30.687 1.00 30.44 N ATOM 68 CA GLU A 25 7.481 10.375 31.644 1.00 31.24 C ATOM 69 C GLU A 25 6.103 10.429 31.045 1.00 28.75 C ATOM 70 O GLU A 25 5.151 10.148 31.736 1.00 28.89 O ATOM 71 CB GLU A 25 7.538 11.365 32.819 1.00 39.47 C ATOM 72 CG GLU A 25 8.880 11.422 33.532 1.00 45.52 C ATOM 73 CD GLU A 25 9.451 10.040 33.810 1.00 55.87 C ATOM 74 OE1 GLU A 25 8.673 9.119 34.151 1.00 63.97 O ATOM 75 OE2 GLU A 25 10.686 9.865 33.681 1.00 71.78 O ATOM 76 H GLU A 25 8.890 11.635 30.588 1.00 0.00 H ATOM 77 N THR A 26 5.984 10.692 29.745 1.00 27.39 N ATOM 78 CA THR A 26 4.688 10.699 29.077 1.00 27.00 C ATOM 79 C THR A 26 3.980 9.369 29.305 1.00 25.48 C ATOM 80 O THR A 26 4.546 8.295 29.071 1.00 24.87 O ATOM 81 CB THR A 26 4.811 10.876 27.524 1.00 26.85 C ATOM 82 OG1 THR A 26 5.584 12.027 27.214 1.00 31.21 O ATOM 83 CG2 THR A 26 3.472 11.018 26.897 1.00 29.48 C ATOM 84 HG1 THR A 26 6.490 11.928 27.600 1.00 0.00 H ATOM 85 H THR A 26 6.839 10.898 29.191 1.00 0.00 H ATOM 86 N LEU A 27 2.720 9.456 29.699 1.00 24.37 N ATOM 87 CA LEU A 27 1.833 8.311 29.830 1.00 25.03 C ATOM 88 C LEU A 27 1.173 7.927 28.537 1.00 24.86 C ATOM 89 O LEU A 27 0.633 8.782 27.829 1.00 25.19 O ATOM 90 CB LEU A 27 0.751 8.607 30.851 1.00 27.56 C ATOM 91 CG LEU A 27 1.052 8.575 32.349 1.00 30.52 C ATOM 92 CD1 LEU A 27 -0.246 8.934 33.081 1.00 30.67 C ATOM 93 CD2 LEU A 27 1.491 7.210 32.835 1.00 29.65 C ATOM 94 H LEU A 27 2.342 10.397 29.928 1.00 0.00 H ATOM 95 N VAL A 28 1.217 6.628 28.228 1.00 23.97 N ATOM 96 CA VAL A 28 0.811 6.125 26.930 1.00 25.86 C ATOM 97 C VAL A 28 0.139 4.779 27.075 1.00 22.45 C ATOM 98 O VAL A 28 0.371 4.032 28.024 1.00 21.78 O ATOM 99 CB VAL A 28 2.002 5.933 25.929 1.00 24.63 C ATOM 100 CG1 VAL A 28 2.713 7.232 25.678 1.00 26.53 C ATOM 101 CG2 VAL A 28 3.006 4.900 26.447 1.00 28.91 C ATOM 102 H VAL A 28 1.555 5.953 28.944 1.00 0.00 H ATOM 103 N ARG A 29 -0.761 4.499 26.150 1.00 24.06 N ATOM 104 CA ARG A 29 -1.428 3.192 26.070 1.00 25.49 C ATOM 105 C ARG A 29 -1.140 2.559 24.721 1.00 29.17 C ATOM 106 O ARG A 29 -1.705 2.984 23.692 1.00 25.19 O ATOM 107 CB ARG A 29 -2.959 3.271 26.273 1.00 29.83 C ATOM 108 CG ARG A 29 -3.319 3.696 27.678 1.00 35.96 C ATOM 109 CD ARG A 29 -4.858 3.786 27.938 1.00 34.88 C ATOM 110 NE ARG A 29 -5.641 2.551 27.682 1.00 33.64 N ATOM 111 CZ ARG A 29 -5.825 1.580 28.563 1.00 33.37 C ATOM 112 NH1 ARG A 29 -5.246 1.635 29.763 1.00 35.76 N ATOM 113 NH2 ARG A 29 -6.565 0.534 28.242 1.00 35.98 N ATOM 114 HE ARG A 29 -6.076 2.441 26.744 1.00 0.00 H ATOM 115 HH12 ARG A 29 -5.396 0.868 30.449 1.00 0.00 H ATOM 116 HH11 ARG A 29 -4.644 2.445 30.013 1.00 0.00 H ATOM 117 HH22 ARG A 29 -6.712 -0.231 28.932 1.00 0.00 H ATOM 118 HH21 ARG A 29 -7.001 0.475 27.300 1.00 0.00 H ATOM 119 H ARG A 29 -1.007 5.230 25.453 1.00 0.00 H ATOM 120 N PRO A 30 -0.252 1.542 24.706 1.00 30.21 N ATOM 121 CA PRO A 30 0.080 0.832 23.486 1.00 27.87 C ATOM 122 C PRO A 30 -1.159 0.266 22.784 1.00 28.12 C ATOM 123 O PRO A 30 -2.074 -0.243 23.458 1.00 26.96 O ATOM 124 CB PRO A 30 1.005 -0.281 23.983 1.00 27.79 C ATOM 125 CG PRO A 30 1.645 0.294 25.223 1.00 26.19 C ATOM 126 CD PRO A 30 0.501 1.017 25.869 1.00 29.02 C ATOM 127 N LYS A 31 -1.201 0.388 21.453 1.00 23.79 N ATOM 128 CA LYS A 31 -2.257 -0.232 20.655 1.00 27.25 C ATOM 129 C LYS A 31 -2.039 -1.743 20.723 1.00 26.77 C ATOM 130 O LYS A 31 -0.994 -2.192 21.204 1.00 26.99 O ATOM 131 CB LYS A 31 -2.210 0.294 19.208 1.00 30.38 C ATOM 132 CG LYS A 31 -2.660 1.750 19.092 1.00 35.17 C ATOM 133 CD LYS A 31 -2.522 2.315 17.683 1.00 34.65 C ATOM 134 H LYS A 31 -0.462 0.939 20.972 1.00 0.00 H ATOM 135 N PRO A 32 -2.993 -2.546 20.233 1.00 28.09 N ATOM 136 CA PRO A 32 -2.969 -3.972 20.530 1.00 27.70 C ATOM 137 C PRO A 32 -1.754 -4.771 20.113 1.00 28.30 C ATOM 138 O PRO A 32 -1.325 -5.630 20.845 1.00 28.10 O ATOM 139 CB PRO A 32 -4.204 -4.486 19.808 1.00 30.38 C ATOM 140 CG PRO A 32 -5.153 -3.338 19.949 1.00 30.06 C ATOM 141 CD PRO A 32 -4.294 -2.147 19.646 1.00 31.03 C ATOM 142 N LEU A 33 -1.164 -4.482 18.973 1.00 27.95 N ATOM 143 CA LEU A 33 -0.018 -5.278 18.545 1.00 29.25 C ATOM 144 C LEU A 33 1.274 -4.921 19.323 1.00 25.54 C ATOM 145 O LEU A 33 2.016 -5.790 19.672 1.00 23.91 O ATOM 146 CB LEU A 33 0.192 -5.137 17.038 1.00 31.54 C ATOM 147 CG LEU A 33 -0.940 -5.814 16.207 1.00 36.77 C ATOM 148 CD1 LEU A 33 -0.826 -5.493 14.735 1.00 39.09 C ATOM 149 CD2 LEU A 33 -0.862 -7.319 16.406 1.00 40.79 C ATOM 150 H LEU A 33 -1.510 -3.697 18.385 1.00 0.00 H ATOM 151 N LEU A 34 1.533 -3.640 19.573 1.00 24.56 N ATOM 152 CA LEU A 34 2.655 -3.261 20.411 1.00 22.72 C ATOM 153 C LEU A 34 2.426 -3.811 21.836 1.00 23.48 C ATOM 154 O LEU A 34 3.338 -4.286 22.479 1.00 22.31 O ATOM 155 CB LEU A 34 2.846 -1.738 20.468 1.00 24.37 C ATOM 156 CG LEU A 34 3.908 -1.252 21.473 1.00 23.74 C ATOM 157 CD1 LEU A 34 5.272 -1.865 21.203 1.00 24.21 C ATOM 158 CD2 LEU A 34 4.042 0.258 21.485 1.00 26.47 C ATOM 159 H LEU A 34 0.925 -2.903 19.163 1.00 0.00 H ATOM 160 N LEU A 35 1.200 -3.778 22.330 1.00 22.92 N ATOM 161 CA LEU A 35 0.911 -4.287 23.687 1.00 22.20 C ATOM 162 C LEU A 35 1.207 -5.749 23.777 1.00 22.56 C ATOM 163 O LEU A 35 1.790 -6.210 24.749 1.00 21.18 O ATOM 164 CB LEU A 35 -0.546 -4.021 24.067 1.00 24.45 C ATOM 165 CG LEU A 35 -0.902 -4.368 25.494 1.00 26.69 C ATOM 166 CD1 LEU A 35 -0.116 -3.475 26.446 1.00 28.85 C ATOM 167 CD2 LEU A 35 -2.394 -4.216 25.759 1.00 30.11 C ATOM 168 H LEU A 35 0.427 -3.388 21.754 1.00 0.00 H ATOM 169 N LYS A 36 0.820 -6.507 22.767 1.00 22.93 N ATOM 170 CA LYS A 36 1.146 -7.942 22.714 1.00 27.91 C ATOM 171 C LYS A 36 2.656 -8.195 22.732 1.00 25.45 C ATOM 172 O LYS A 36 3.153 -9.096 23.385 1.00 26.45 O ATOM 173 CB LYS A 36 0.512 -8.610 21.477 1.00 29.70 C ATOM 174 CG LYS A 36 0.761 -10.101 21.298 1.00 32.37 C ATOM 175 CD LYS A 36 0.457 -10.551 19.843 1.00 38.14 C ATOM 176 H LYS A 36 0.273 -6.081 21.992 1.00 0.00 H ATOM 177 N LEU A 37 3.391 -7.458 21.953 1.00 25.62 N ATOM 178 CA LEU A 37 4.857 -7.580 21.972 1.00 24.68 C ATOM 179 C LEU A 37 5.441 -7.322 23.394 1.00 25.01 C ATOM 180 O LEU A 37 6.191 -8.112 23.915 1.00 25.15 O ATOM 181 CB LEU A 37 5.416 -6.550 21.000 1.00 24.27 C ATOM 182 CG LEU A 37 6.932 -6.456 20.833 1.00 24.59 C ATOM 183 CD1 LEU A 37 7.227 -5.761 19.516 1.00 28.37 C ATOM 184 CD2 LEU A 37 7.585 -5.688 21.931 1.00 25.45 C ATOM 185 H LEU A 37 2.939 -6.776 21.311 1.00 0.00 H ATOM 186 N LEU A 38 5.030 -6.227 24.039 1.00 23.73 N ATOM 187 CA LEU A 38 5.482 -5.950 25.398 1.00 23.07 C ATOM 188 C LEU A 38 5.096 -7.070 26.369 1.00 22.41 C ATOM 189 O LEU A 38 5.882 -7.495 27.199 1.00 23.00 O ATOM 190 CB LEU A 38 4.935 -4.606 25.898 1.00 23.95 C ATOM 191 CG LEU A 38 5.264 -3.379 25.060 1.00 22.82 C ATOM 192 CD1 LEU A 38 4.593 -2.156 25.664 1.00 22.96 C ATOM 193 CD2 LEU A 38 6.731 -3.093 24.919 1.00 24.22 C ATOM 194 H LEU A 38 4.381 -5.565 23.567 1.00 0.00 H ATOM 195 N LYS A 39 3.863 -7.499 26.329 1.00 23.56 N ATOM 196 CA LYS A 39 3.415 -8.563 27.189 1.00 23.96 C ATOM 197 C LYS A 39 4.122 -9.869 26.947 1.00 22.17 C ATOM 198 O LYS A 39 4.262 -10.677 27.878 1.00 23.24 O ATOM 199 CB LYS A 39 1.898 -8.739 27.096 1.00 26.64 C ATOM 200 CG LYS A 39 1.168 -7.593 27.784 1.00 27.13 C ATOM 201 CD LYS A 39 -0.294 -7.901 28.092 1.00 32.02 C ATOM 202 CE LYS A 39 -0.806 -6.846 29.059 1.00 35.17 C ATOM 203 NZ LYS A 39 -2.242 -6.527 28.930 1.00 37.65 N ATOM 204 HZ1 LYS A 39 -2.432 -6.171 27.971 1.00 0.00 H ATOM 205 HZ2 LYS A 39 -2.803 -7.386 29.100 1.00 0.00 H ATOM 206 HZ3 LYS A 39 -2.498 -5.800 29.628 1.00 0.00 H ATOM 207 H LYS A 39 3.193 -7.064 25.664 1.00 0.00 H ATOM 208 N SER A 40 4.596 -10.090 25.736 1.00 23.66 N ATOM 209 CA SER A 40 5.330 -11.326 25.423 1.00 21.12 C ATOM 210 C SER A 40 6.657 -11.409 26.168 1.00 22.81 C ATOM 211 O SER A 40 7.186 -12.495 26.288 1.00 23.68 O ATOM 212 CB SER A 40 5.578 -11.469 23.915 1.00 22.86 C ATOM 213 OG SER A 40 6.637 -10.650 23.430 1.00 21.04 O ATOM 214 HG SER A 40 6.424 -9.699 23.606 1.00 0.00 H ATOM 215 H SER A 40 4.449 -9.380 24.991 1.00 0.00 H ATOM 216 N VAL A 41 7.206 -10.284 26.646 1.00 22.10 N ATOM 217 CA VAL A 41 8.437 -10.306 27.475 1.00 22.74 C ATOM 218 C VAL A 41 8.162 -9.992 28.931 1.00 22.54 C ATOM 219 O VAL A 41 9.054 -9.617 29.671 1.00 27.31 O ATOM 220 CB VAL A 41 9.555 -9.400 26.956 1.00 22.81 C ATOM 221 CG1 VAL A 41 10.154 -10.015 25.714 1.00 23.57 C ATOM 222 CG2 VAL A 41 9.070 -7.979 26.694 1.00 22.95 C ATOM 223 H VAL A 41 6.757 -9.371 26.430 1.00 0.00 H ATOM 224 N GLY A 42 6.896 -10.089 29.329 1.00 22.04 N ATOM 225 CA GLY A 42 6.518 -10.044 30.734 1.00 22.62 C ATOM 226 C GLY A 42 5.938 -8.757 31.244 1.00 20.34 C ATOM 227 O GLY A 42 5.683 -8.654 32.439 1.00 21.55 O ATOM 228 H GLY A 42 6.151 -10.201 28.612 1.00 0.00 H ATOM 229 N ALA A 43 5.661 -7.787 30.372 1.00 20.26 N ATOM 230 CA ALA A 43 4.927 -6.608 30.829 1.00 21.03 C ATOM 231 C ALA A 43 3.524 -7.030 31.326 1.00 24.13 C ATOM 232 O ALA A 43 2.925 -7.964 30.780 1.00 23.57 O ATOM 233 CB ALA A 43 4.815 -5.581 29.745 1.00 20.66 C ATOM 234 H ALA A 43 5.963 -7.868 29.380 1.00 0.00 H ATOM 235 N GLN A 44 2.989 -6.317 32.309 1.00 25.30 N ATOM 236 CA GLN A 44 1.752 -6.700 32.962 1.00 28.47 C ATOM 237 C GLN A 44 0.647 -5.690 32.858 1.00 30.91 C ATOM 238 O GLN A 44 -0.420 -5.963 33.390 1.00 32.71 O ATOM 239 CB GLN A 44 1.981 -6.781 34.460 1.00 31.69 C ATOM 240 CG GLN A 44 3.232 -7.498 34.897 1.00 38.13 C ATOM 241 CD GLN A 44 3.004 -8.952 35.134 1.00 42.40 C ATOM 242 OE1 GLN A 44 2.991 -9.393 36.275 1.00 56.94 O ATOM 243 NE2 GLN A 44 2.861 -9.707 34.077 1.00 44.94 N ATOM 244 HE22 GLN A 44 2.880 -9.282 33.128 1.00 0.00 H ATOM 245 HE21 GLN A 44 2.729 -10.733 34.185 1.00 0.00 H ATOM 246 H GLN A 44 3.474 -5.452 32.622 1.00 0.00 H ATOM 247 N LYS A 45 0.927 -4.491 32.349 1.00 30.33 N ATOM 248 CA LYS A 45 0.011 -3.377 32.462 1.00 34.68 C ATOM 249 C LYS A 45 -0.535 -2.955 31.107 1.00 30.25 C ATOM 250 O LYS A 45 -0.140 -3.489 30.075 1.00 29.56 O ATOM 251 CB LYS A 45 0.684 -2.129 32.966 1.00 37.54 C ATOM 252 CG LYS A 45 1.571 -2.262 34.138 1.00 43.18 C ATOM 253 CD LYS A 45 1.921 -0.844 34.588 1.00 43.94 C ATOM 254 CE LYS A 45 3.254 -0.370 34.045 1.00 43.16 C ATOM 255 NZ LYS A 45 3.819 0.572 35.038 1.00 49.57 N ATOM 256 HZ1 LYS A 45 3.168 1.373 35.164 1.00 0.00 H ATOM 257 HZ2 LYS A 45 3.946 0.081 35.946 1.00 0.00 H ATOM 258 HZ3 LYS A 45 4.738 0.921 34.699 1.00 0.00 H ATOM 259 H LYS A 45 1.832 -4.352 31.855 1.00 0.00 H ATOM 260 N ASP A 46 -1.425 -1.966 31.137 1.00 25.97 N ATOM 261 CA ASP A 46 -1.974 -1.405 29.902 1.00 28.80 C ATOM 262 C ASP A 46 -1.544 0.018 29.658 1.00 26.58 C ATOM 263 O ASP A 46 -1.592 0.460 28.531 1.00 24.12 O ATOM 264 CB ASP A 46 -3.503 -1.469 29.956 1.00 31.00 C ATOM 265 CG ASP A 46 -3.989 -2.893 30.108 1.00 32.90 C ATOM 266 OD1 ASP A 46 -3.508 -3.768 29.342 1.00 38.06 O ATOM 267 OD2 ASP A 46 -4.752 -3.164 31.066 1.00 39.21 O ATOM 268 H ASP A 46 -1.736 -1.585 32.054 1.00 0.00 H ATOM 269 N THR A 47 -1.171 0.703 30.721 1.00 24.62 N ATOM 270 CA THR A 47 -0.751 2.077 30.655 1.00 27.00 C ATOM 271 C THR A 47 0.686 2.136 31.156 1.00 26.71 C ATOM 272 O THR A 47 0.983 1.526 32.168 1.00 24.69 O ATOM 273 CB THR A 47 -1.649 2.966 31.568 1.00 27.34 C ATOM 274 OG1 THR A 47 -3.003 2.829 31.164 1.00 31.04 O ATOM 275 CG2 THR A 47 -1.261 4.401 31.452 1.00 30.40 C ATOM 276 HG1 THR A 47 -3.577 3.392 31.741 1.00 0.00 H ATOM 277 H THR A 47 -1.181 0.230 31.647 1.00 0.00 H ATOM 278 N TYR A 48 1.571 2.849 30.428 1.00 25.24 N ATOM 279 CA TYR A 48 3.008 2.867 30.709 1.00 24.08 C ATOM 280 C TYR A 48 3.512 4.271 30.610 1.00 26.15 C ATOM 281 O TYR A 48 2.910 5.061 29.891 1.00 26.70 O ATOM 282 CB TYR A 48 3.734 2.060 29.619 1.00 23.09 C ATOM 283 CG TYR A 48 3.399 0.571 29.626 1.00 24.61 C ATOM 284 CD1 TYR A 48 2.246 0.081 28.971 1.00 25.10 C ATOM 285 CD2 TYR A 48 4.202 -0.347 30.319 1.00 26.10 C ATOM 286 CE1 TYR A 48 1.914 -1.271 29.004 1.00 24.42 C ATOM 287 CE2 TYR A 48 3.869 -1.698 30.360 1.00 27.30 C ATOM 288 CZ TYR A 48 2.726 -2.159 29.687 1.00 27.47 C ATOM 289 OH TYR A 48 2.399 -3.527 29.737 1.00 29.16 O ATOM 290 HH TYR A 48 1.572 -3.687 29.216 1.00 0.00 H ATOM 291 H TYR A 48 1.215 3.412 29.629 1.00 0.00 H ATOM 292 N THR A 49 4.668 4.571 31.204 1.00 22.80 N ATOM 293 CA THR A 49 5.402 5.698 30.736 1.00 22.63 C ATOM 294 C THR A 49 6.231 5.276 29.501 1.00 24.44 C ATOM 295 O THR A 49 6.505 4.098 29.294 1.00 22.03 O ATOM 296 CB THR A 49 6.367 6.209 31.793 1.00 25.67 C ATOM 297 OG1 THR A 49 7.266 5.157 32.121 1.00 23.86 O ATOM 298 CG2 THR A 49 5.625 6.707 33.046 1.00 26.10 C ATOM 299 HG1 THR A 49 7.904 5.472 32.810 1.00 0.00 H ATOM 300 H THR A 49 5.026 3.994 31.992 1.00 0.00 H ATOM 301 N MET A 50 6.667 6.241 28.704 1.00 23.93 N ATOM 302 CA MET A 50 7.551 5.928 27.597 1.00 24.02 C ATOM 303 C MET A 50 8.782 5.215 28.100 1.00 25.36 C ATOM 304 O MET A 50 9.305 4.325 27.416 1.00 24.28 O ATOM 305 CB MET A 50 7.926 7.203 26.836 1.00 25.69 C ATOM 306 CG MET A 50 6.793 7.702 25.934 1.00 26.10 C ATOM 307 SD MET A 50 6.394 6.525 24.635 1.00 28.19 S ATOM 308 CE MET A 50 7.810 6.718 23.547 1.00 27.18 C ATOM 309 H MET A 50 6.375 7.225 28.873 1.00 0.00 H ATOM 310 N LYS A 51 9.280 5.658 29.257 1.00 25.19 N ATOM 311 CA LYS A 51 10.445 5.060 29.901 1.00 24.66 C ATOM 312 C LYS A 51 10.232 3.511 30.121 1.00 21.49 C ATOM 313 O LYS A 51 11.135 2.692 29.918 1.00 21.48 O ATOM 314 CB LYS A 51 10.631 5.763 31.225 1.00 29.10 C ATOM 315 CG LYS A 51 12.033 6.205 31.501 1.00 38.52 C ATOM 316 H LYS A 51 8.817 6.466 29.720 1.00 0.00 H ATOM 317 N GLU A 52 9.053 3.126 30.553 1.00 20.32 N ATOM 318 CA GLU A 52 8.718 1.698 30.777 1.00 19.09 C ATOM 319 C GLU A 52 8.582 0.985 29.457 1.00 20.04 C ATOM 320 O GLU A 52 9.030 -0.152 29.313 1.00 21.92 O ATOM 321 CB GLU A 52 7.431 1.546 31.586 1.00 19.58 C ATOM 322 CG GLU A 52 7.564 2.014 33.019 1.00 19.98 C ATOM 323 CD GLU A 52 6.253 2.175 33.722 1.00 22.60 C ATOM 324 OE1 GLU A 52 5.216 2.406 33.054 1.00 21.94 O ATOM 325 OE2 GLU A 52 6.227 2.089 34.968 1.00 25.83 O ATOM 326 H GLU A 52 8.329 3.847 30.745 1.00 0.00 H ATOM 327 N VAL A 53 8.031 1.663 28.448 1.00 20.32 N ATOM 328 CA VAL A 53 7.884 1.027 27.134 1.00 19.66 C ATOM 329 C VAL A 53 9.273 0.683 26.590 1.00 19.81 C ATOM 330 O VAL A 53 9.501 -0.446 26.118 1.00 19.54 O ATOM 331 CB VAL A 53 7.128 1.899 26.126 1.00 19.11 C ATOM 332 CG1 VAL A 53 7.222 1.282 24.752 1.00 19.48 C ATOM 333 CG2 VAL A 53 5.669 2.032 26.552 1.00 20.40 C ATOM 334 H VAL A 53 7.706 2.640 28.593 1.00 0.00 H ATOM 335 N LEU A 54 10.187 1.621 26.721 1.00 19.03 N ATOM 336 CA LEU A 54 11.599 1.406 26.290 1.00 19.09 C ATOM 337 C LEU A 54 12.300 0.270 27.057 1.00 19.30 C ATOM 338 O LEU A 54 12.989 -0.521 26.474 1.00 17.93 O ATOM 339 CB LEU A 54 12.421 2.665 26.414 1.00 19.87 C ATOM 340 CG LEU A 54 12.010 3.771 25.475 1.00 20.73 C ATOM 341 CD1 LEU A 54 12.650 5.084 25.930 1.00 23.47 C ATOM 342 CD2 LEU A 54 12.414 3.433 24.054 1.00 20.66 C ATOM 343 H LEU A 54 9.918 2.536 27.136 1.00 0.00 H ATOM 344 N PHE A 55 12.033 0.144 28.348 1.00 19.26 N ATOM 345 CA PHE A 55 12.536 -0.972 29.099 1.00 19.45 C ATOM 346 C PHE A 55 12.127 -2.271 28.440 1.00 18.78 C ATOM 347 O PHE A 55 12.970 -3.136 28.183 1.00 22.89 O ATOM 348 CB PHE A 55 12.012 -1.007 30.552 1.00 20.27 C ATOM 349 CG PHE A 55 12.424 -2.254 31.267 1.00 18.99 C ATOM 350 CD1 PHE A 55 13.702 -2.366 31.769 1.00 19.99 C ATOM 351 CD2 PHE A 55 11.591 -3.347 31.301 1.00 20.39 C ATOM 352 CE1 PHE A 55 14.151 -3.562 32.286 1.00 21.46 C ATOM 353 CE2 PHE A 55 12.012 -4.545 31.850 1.00 20.27 C ATOM 354 CZ PHE A 55 13.283 -4.638 32.384 1.00 21.13 C ATOM 355 H PHE A 55 11.451 0.863 28.824 1.00 0.00 H ATOM 356 N TYR A 56 10.839 -2.469 28.216 1.00 18.13 N ATOM 357 CA TYR A 56 10.377 -3.763 27.693 1.00 19.54 C ATOM 358 C TYR A 56 10.816 -3.982 26.253 1.00 20.41 C ATOM 359 O TYR A 56 11.104 -5.100 25.858 1.00 18.43 O ATOM 360 CB TYR A 56 8.879 -3.851 27.758 1.00 20.72 C ATOM 361 CG TYR A 56 8.386 -4.037 29.189 1.00 21.09 C ATOM 362 CD1 TYR A 56 8.614 -5.213 29.854 1.00 21.05 C ATOM 363 CD2 TYR A 56 7.716 -3.020 29.844 1.00 21.56 C ATOM 364 CE1 TYR A 56 8.222 -5.404 31.169 1.00 21.02 C ATOM 365 CE2 TYR A 56 7.324 -3.181 31.165 1.00 20.95 C ATOM 366 CZ TYR A 56 7.570 -4.391 31.817 1.00 22.33 C ATOM 367 OH TYR A 56 7.131 -4.633 33.126 1.00 21.64 O ATOM 368 HH TYR A 56 7.405 -5.543 33.402 1.00 0.00 H ATOM 369 H TYR A 56 10.154 -1.711 28.409 1.00 0.00 H ATOM 370 N LEU A 57 10.885 -2.918 25.469 1.00 20.05 N ATOM 371 CA LEU A 57 11.467 -3.060 24.101 1.00 20.18 C ATOM 372 C LEU A 57 12.891 -3.533 24.203 1.00 18.44 C ATOM 373 O LEU A 57 13.304 -4.373 23.421 1.00 19.31 O ATOM 374 CB LEU A 57 11.431 -1.731 23.348 1.00 20.85 C ATOM 375 CG LEU A 57 10.069 -1.320 22.815 1.00 20.69 C ATOM 376 CD1 LEU A 57 10.075 0.097 22.239 1.00 24.24 C ATOM 377 CD2 LEU A 57 9.580 -2.290 21.771 1.00 22.08 C ATOM 378 H LEU A 57 10.539 -1.995 25.801 1.00 0.00 H ATOM 379 N GLY A 58 13.643 -3.020 25.158 1.00 17.18 N ATOM 380 CA GLY A 58 15.050 -3.469 25.366 1.00 17.68 C ATOM 381 C GLY A 58 15.081 -4.986 25.577 1.00 19.12 C ATOM 382 O GLY A 58 15.949 -5.674 25.032 1.00 19.78 O ATOM 383 H GLY A 58 13.246 -2.287 25.779 1.00 0.00 H ATOM 384 N GLN A 59 14.147 -5.488 26.384 1.00 17.79 N ATOM 385 CA GLN A 59 14.116 -6.911 26.731 1.00 19.16 C ATOM 386 C GLN A 59 13.734 -7.718 25.561 1.00 18.32 C ATOM 387 O GLN A 59 14.293 -8.807 25.313 1.00 17.78 O ATOM 388 CB GLN A 59 13.134 -7.169 27.876 1.00 19.28 C ATOM 389 CG GLN A 59 13.551 -6.491 29.170 1.00 21.40 C ATOM 390 CD GLN A 59 14.933 -6.930 29.609 1.00 24.89 C ATOM 391 OE1 GLN A 59 15.222 -8.147 29.801 1.00 25.43 O ATOM 392 NE2 GLN A 59 15.817 -5.959 29.763 1.00 25.65 N ATOM 393 HE22 GLN A 59 15.539 -4.971 29.595 1.00 0.00 H ATOM 394 HE21 GLN A 59 16.791 -6.183 30.052 1.00 0.00 H ATOM 395 H GLN A 59 13.422 -4.854 26.777 1.00 0.00 H ATOM 396 N TYR A 60 12.763 -7.197 24.837 1.00 18.24 N ATOM 397 CA TYR A 60 12.313 -7.844 23.626 1.00 20.01 C ATOM 398 C TYR A 60 13.461 -7.995 22.638 1.00 20.58 C ATOM 399 O TYR A 60 13.727 -9.071 22.064 1.00 18.90 O ATOM 400 CB TYR A 60 11.163 -7.056 23.037 1.00 20.91 C ATOM 401 CG TYR A 60 10.594 -7.667 21.769 1.00 21.18 C ATOM 402 CD1 TYR A 60 9.632 -8.682 21.838 1.00 21.78 C ATOM 403 CD2 TYR A 60 11.080 -7.304 20.529 1.00 20.89 C ATOM 404 CE1 TYR A 60 9.086 -9.275 20.703 1.00 22.70 C ATOM 405 CE2 TYR A 60 10.559 -7.908 19.356 1.00 22.21 C ATOM 406 CZ TYR A 60 9.560 -8.891 19.456 1.00 23.55 C ATOM 407 OH TYR A 60 9.022 -9.514 18.337 1.00 24.08 O ATOM 408 HH TYR A 60 8.338 -10.170 18.623 1.00 0.00 H ATOM 409 H TYR A 60 12.315 -6.309 25.141 1.00 0.00 H ATOM 410 N ILE A 61 14.124 -6.889 22.388 1.00 20.11 N ATOM 411 CA ILE A 61 15.221 -6.874 21.414 1.00 19.66 C ATOM 412 C ILE A 61 16.323 -7.877 21.790 1.00 22.68 C ATOM 413 O ILE A 61 16.817 -8.636 20.942 1.00 19.49 O ATOM 414 CB ILE A 61 15.765 -5.443 21.259 1.00 21.67 C ATOM 415 CG1 ILE A 61 14.737 -4.543 20.574 1.00 20.99 C ATOM 416 CG2 ILE A 61 17.111 -5.450 20.512 1.00 22.67 C ATOM 417 CD1 ILE A 61 14.959 -3.071 20.809 1.00 23.53 C ATOM 418 H ILE A 61 13.868 -6.013 22.887 1.00 0.00 H ATOM 419 N MET A 62 16.714 -7.881 23.064 1.00 22.17 N ATOM 420 CA MET A 62 17.726 -8.789 23.557 1.00 25.62 C ATOM 421 C MET A 62 17.225 -10.242 23.434 1.00 24.11 C ATOM 422 O MET A 62 17.933 -11.089 22.909 1.00 23.80 O ATOM 423 CB MET A 62 18.046 -8.462 25.001 1.00 29.89 C ATOM 424 CG MET A 62 19.198 -9.165 25.609 1.00 39.05 C ATOM 425 SD MET A 62 19.119 -8.584 27.339 1.00 56.89 S ATOM 426 CE MET A 62 18.092 -9.910 27.941 1.00 54.30 C ATOM 427 H MET A 62 16.277 -7.209 23.726 1.00 0.00 H ATOM 428 N THR A 63 15.987 -10.513 23.826 1.00 24.21 N ATOM 429 CA THR A 63 15.416 -11.880 23.723 1.00 25.72 C ATOM 430 C THR A 63 15.315 -12.412 22.314 1.00 24.83 C ATOM 431 O THR A 63 15.623 -13.578 22.063 1.00 21.42 O ATOM 432 CB THR A 63 14.016 -11.917 24.383 1.00 28.47 C ATOM 433 OG1 THR A 63 14.138 -11.422 25.730 1.00 27.31 O ATOM 434 CG2 THR A 63 13.494 -13.304 24.434 1.00 30.14 C ATOM 435 HG1 THR A 63 14.480 -10.493 25.709 1.00 0.00 H ATOM 436 H THR A 63 15.401 -9.748 24.216 1.00 0.00 H ATOM 437 N LYS A 64 14.878 -11.580 21.388 1.00 24.17 N ATOM 438 CA LYS A 64 14.802 -12.024 20.009 1.00 25.02 C ATOM 439 C LYS A 64 16.160 -11.925 19.291 1.00 24.42 C ATOM 440 O LYS A 64 16.246 -12.268 18.135 1.00 24.07 O ATOM 441 CB LYS A 64 13.768 -11.232 19.251 1.00 26.78 C ATOM 442 CG LYS A 64 12.382 -11.205 19.864 1.00 29.28 C ATOM 443 CD LYS A 64 11.664 -12.516 19.985 1.00 30.69 C ATOM 444 CE LYS A 64 11.430 -13.157 18.647 1.00 36.85 C ATOM 445 NZ LYS A 64 10.298 -12.530 17.894 1.00 40.82 N ATOM 446 HZ1 LYS A 64 9.422 -12.620 18.448 1.00 0.00 H ATOM 447 HZ2 LYS A 64 10.505 -11.524 17.733 1.00 0.00 H ATOM 448 HZ3 LYS A 64 10.182 -13.012 16.980 1.00 0.00 H ATOM 449 H LYS A 64 14.590 -10.614 21.644 1.00 0.00 H ATOM 450 N ARG A 65 17.177 -11.437 19.977 1.00 22.31 N ATOM 451 CA ARG A 65 18.535 -11.339 19.469 1.00 26.35 C ATOM 452 C ARG A 65 18.604 -10.516 18.193 1.00 24.92 C ATOM 453 O ARG A 65 19.160 -10.961 17.208 1.00 28.48 O ATOM 454 CB ARG A 65 19.144 -12.735 19.271 1.00 29.66 C ATOM 455 CG ARG A 65 19.241 -13.484 20.591 1.00 32.66 C ATOM 456 CD ARG A 65 19.860 -14.851 20.431 1.00 40.48 C ATOM 457 NE ARG A 65 21.282 -14.825 20.099 1.00 46.16 N ATOM 458 CZ ARG A 65 22.274 -14.585 20.963 1.00 50.57 C ATOM 459 NH1 ARG A 65 22.038 -14.316 22.248 1.00 51.69 N ATOM 460 NH2 ARG A 65 23.521 -14.597 20.516 1.00 53.75 N ATOM 461 HE ARG A 65 21.545 -15.008 19.110 1.00 0.00 H ATOM 462 HH12 ARG A 65 22.831 -14.134 22.895 1.00 0.00 H ATOM 463 HH11 ARG A 65 21.061 -14.289 22.603 1.00 0.00 H ATOM 464 HH22 ARG A 65 24.309 -14.413 21.169 1.00 0.00 H ATOM 465 HH21 ARG A 65 23.712 -14.790 19.512 1.00 0.00 H ATOM 466 H ARG A 65 16.994 -11.101 20.944 1.00 0.00 H ATOM 467 N LEU A 66 18.059 -9.289 18.223 1.00 23.19 N ATOM 468 CA LEU A 66 17.936 -8.507 17.005 1.00 23.30 C ATOM 469 C LEU A 66 19.140 -7.649 16.771 1.00 24.68 C ATOM 470 O LEU A 66 19.207 -6.993 15.739 1.00 21.11 O ATOM 471 CB LEU A 66 16.652 -7.704 17.011 1.00 23.82 C ATOM 472 CG LEU A 66 15.354 -8.520 17.091 1.00 24.95 C ATOM 473 CD1 LEU A 66 14.085 -7.644 17.162 1.00 26.04 C ATOM 474 CD2 LEU A 66 15.214 -9.494 15.933 1.00 27.77 C ATOM 475 H LEU A 66 17.722 -8.896 19.125 1.00 0.00 H ATOM 476 N TYR A 67 20.057 -7.578 17.749 1.00 22.91 N ATOM 477 CA TYR A 67 21.178 -6.708 17.616 1.00 23.42 C ATOM 478 C TYR A 67 22.078 -7.279 16.524 1.00 26.31 C ATOM 479 O TYR A 67 22.245 -8.486 16.410 1.00 27.68 O ATOM 480 CB TYR A 67 21.975 -6.584 18.891 1.00 23.52 C ATOM 481 CG TYR A 67 21.288 -5.776 19.935 1.00 22.74 C ATOM 482 CD1 TYR A 67 21.097 -4.399 19.750 1.00 21.72 C ATOM 483 CD2 TYR A 67 20.881 -6.348 21.121 1.00 23.72 C ATOM 484 CE1 TYR A 67 20.510 -3.621 20.715 1.00 22.39 C ATOM 485 CE2 TYR A 67 20.252 -5.584 22.098 1.00 25.27 C ATOM 486 CZ TYR A 67 20.072 -4.217 21.880 1.00 24.46 C ATOM 487 OH TYR A 67 19.436 -3.476 22.810 1.00 24.00 O ATOM 488 HH TYR A 67 18.519 -3.826 22.939 1.00 0.00 H ATOM 489 H TYR A 67 19.949 -8.159 18.605 1.00 0.00 H ATOM 490 N ASP A 68 22.665 -6.414 15.728 1.00 27.66 N ATOM 491 CA ASP A 68 23.639 -6.878 14.713 1.00 29.59 C ATOM 492 C ASP A 68 24.941 -7.259 15.436 1.00 30.78 C ATOM 493 O ASP A 68 25.444 -6.519 16.282 1.00 28.89 O ATOM 494 CB ASP A 68 23.871 -5.737 13.721 1.00 30.26 C ATOM 495 CG ASP A 68 24.901 -6.011 12.646 1.00 32.15 C ATOM 496 OD1 ASP A 68 26.034 -6.383 12.938 1.00 37.55 O ATOM 497 OD2 ASP A 68 24.629 -5.693 11.499 1.00 33.40 O ATOM 498 H ASP A 68 22.445 -5.401 15.811 1.00 0.00 H ATOM 499 N GLU A 69 25.506 -8.402 15.072 1.00 38.26 N ATOM 500 CA GLU A 69 26.767 -8.890 15.691 1.00 43.22 C ATOM 501 C GLU A 69 27.967 -7.983 15.450 1.00 42.30 C ATOM 502 O GLU A 69 28.722 -7.707 16.365 1.00 44.02 O ATOM 503 CB GLU A 69 27.080 -10.318 15.236 1.00 49.04 C ATOM 504 CG GLU A 69 25.959 -11.330 15.489 1.00 56.85 C ATOM 505 CD GLU A 69 25.765 -11.701 16.956 1.00 63.52 C ATOM 506 OE1 GLU A 69 25.859 -10.822 17.851 1.00 70.09 O ATOM 507 OE2 GLU A 69 25.486 -12.892 17.215 1.00 70.00 O ATOM 508 H GLU A 69 25.054 -8.975 14.331 1.00 0.00 H ATOM 509 N LYS A 70 28.077 -7.477 14.234 1.00 44.39 N ATOM 510 CA LYS A 70 29.161 -6.612 13.821 1.00 42.68 C ATOM 511 C LYS A 70 28.974 -5.155 14.269 1.00 43.52 C ATOM 512 O LYS A 70 29.936 -4.528 14.607 1.00 38.06 O ATOM 513 CB LYS A 70 29.255 -6.609 12.295 1.00 44.48 C ATOM 514 H LYS A 70 27.344 -7.714 13.535 1.00 0.00 H ATOM 515 N GLN A 71 27.752 -4.609 14.251 1.00 37.81 N ATOM 516 CA GLN A 71 27.520 -3.229 14.668 1.00 36.12 C ATOM 517 C GLN A 71 26.425 -3.187 15.736 1.00 33.68 C ATOM 518 O GLN A 71 25.248 -3.236 15.437 1.00 32.37 O ATOM 519 CB GLN A 71 27.148 -2.377 13.462 1.00 38.14 C ATOM 520 CG GLN A 71 28.285 -1.968 12.520 1.00 40.42 C ATOM 521 CD GLN A 71 27.984 -0.619 11.852 1.00 45.98 C ATOM 522 OE1 GLN A 71 27.857 -0.504 10.627 1.00 49.31 O ATOM 523 H GLN A 71 26.946 -5.183 13.931 1.00 0.00 H ATOM 524 N GLN A 72 26.842 -3.165 16.991 1.00 33.12 N ATOM 525 CA GLN A 72 25.972 -3.526 18.103 1.00 35.48 C ATOM 526 C GLN A 72 24.897 -2.495 18.378 1.00 31.73 C ATOM 527 O GLN A 72 23.909 -2.784 19.065 1.00 27.99 O ATOM 528 CB GLN A 72 26.794 -3.697 19.386 1.00 38.81 C ATOM 529 CG GLN A 72 26.126 -4.596 20.414 1.00 43.53 C ATOM 530 CD GLN A 72 26.086 -6.081 20.027 1.00 47.88 C ATOM 531 OE1 GLN A 72 25.580 -6.887 20.793 1.00 55.99 O ATOM 532 NE2 GLN A 72 26.609 -6.445 18.848 1.00 46.92 N ATOM 533 HE22 GLN A 72 27.031 -5.729 18.223 1.00 0.00 H ATOM 534 HE21 GLN A 72 26.593 -7.444 18.558 1.00 0.00 H ATOM 535 H GLN A 72 27.822 -2.881 17.191 1.00 0.00 H ATOM 536 N HIS A 73 25.124 -1.274 17.902 1.00 27.97 N ATOM 537 CA HIS A 73 24.119 -0.201 18.042 1.00 31.97 C ATOM 538 C HIS A 73 22.939 -0.423 17.086 1.00 27.41 C ATOM 539 O HIS A 73 21.946 0.287 17.205 1.00 26.48 O ATOM 540 CB HIS A 73 24.758 1.204 17.820 1.00 34.68 C ATOM 541 CG HIS A 73 25.241 1.441 16.411 1.00 41.35 C ATOM 542 ND1 HIS A 73 24.494 2.138 15.475 1.00 46.59 N ATOM 543 CD2 HIS A 73 26.378 1.051 15.769 1.00 39.99 C ATOM 544 CE1 HIS A 73 25.150 2.174 14.323 1.00 45.53 C ATOM 545 NE2 HIS A 73 26.293 1.523 14.475 1.00 45.84 N ATOM 546 H HIS A 73 26.025 -1.071 17.423 1.00 0.00 H ATOM 547 N ILE A 74 23.042 -1.374 16.140 1.00 24.69 N ATOM 548 CA ILE A 74 21.996 -1.566 15.176 1.00 23.01 C ATOM 549 C ILE A 74 21.039 -2.663 15.635 1.00 23.19 C ATOM 550 O ILE A 74 21.457 -3.798 15.902 1.00 23.51 O ATOM 551 CB ILE A 74 22.566 -1.944 13.786 1.00 24.30 C ATOM 552 CG1 ILE A 74 23.448 -0.836 13.245 1.00 25.61 C ATOM 553 CG2 ILE A 74 21.418 -2.203 12.823 1.00 24.82 C ATOM 554 CD1 ILE A 74 24.189 -1.165 11.954 1.00 29.49 C ATOM 555 H ILE A 74 23.889 -1.977 16.107 1.00 0.00 H ATOM 556 N VAL A 75 19.753 -2.344 15.608 1.00 21.82 N ATOM 557 CA VAL A 75 18.740 -3.337 15.774 1.00 20.81 C ATOM 558 C VAL A 75 18.231 -3.671 14.395 1.00 21.64 C ATOM 559 O VAL A 75 17.751 -2.797 13.664 1.00 22.60 O ATOM 560 CB VAL A 75 17.607 -2.817 16.641 1.00 20.55 C ATOM 561 CG1 VAL A 75 16.499 -3.833 16.673 1.00 21.24 C ATOM 562 CG2 VAL A 75 18.121 -2.485 18.016 1.00 21.20 C ATOM 563 H VAL A 75 19.476 -1.352 15.463 1.00 0.00 H ATOM 564 N TYR A 76 18.428 -4.918 13.988 1.00 21.73 N ATOM 565 CA TYR A 76 17.956 -5.397 12.699 1.00 23.91 C ATOM 566 C TYR A 76 16.616 -6.086 12.858 1.00 24.38 C ATOM 567 O TYR A 76 16.544 -7.218 13.297 1.00 23.85 O ATOM 568 CB TYR A 76 19.022 -6.324 12.077 1.00 27.67 C ATOM 569 CG TYR A 76 18.712 -6.563 10.624 1.00 28.68 C ATOM 570 CD1 TYR A 76 18.940 -5.575 9.701 1.00 29.75 C ATOM 571 CD2 TYR A 76 18.074 -7.725 10.207 1.00 29.29 C ATOM 572 CE1 TYR A 76 18.619 -5.743 8.355 1.00 33.06 C ATOM 573 CE2 TYR A 76 17.715 -7.898 8.878 1.00 34.88 C ATOM 574 CZ TYR A 76 17.999 -6.912 7.945 1.00 33.59 C ATOM 575 OH TYR A 76 17.662 -7.088 6.613 1.00 39.40 O ATOM 576 HH TYR A 76 18.126 -7.888 6.259 1.00 0.00 H ATOM 577 H TYR A 76 18.937 -5.576 14.612 1.00 0.00 H ATOM 578 N CYS A 77 15.538 -5.397 12.524 1.00 24.18 N ATOM 579 CA CYS A 77 14.212 -5.858 12.871 1.00 23.39 C ATOM 580 C CYS A 77 13.374 -6.193 11.675 1.00 24.08 C ATOM 581 O CYS A 77 12.195 -6.477 11.782 1.00 23.31 O ATOM 582 CB CYS A 77 13.520 -4.831 13.697 1.00 24.47 C ATOM 583 SG CYS A 77 13.578 -3.134 13.087 1.00 27.50 S ATOM 584 H CYS A 77 15.646 -4.505 12.001 1.00 0.00 H ATOM 585 N SER A 78 14.030 -6.249 10.517 1.00 29.20 N ATOM 586 CA SER A 78 13.356 -6.525 9.269 1.00 29.37 C ATOM 587 C SER A 78 12.473 -7.795 9.294 1.00 31.98 C ATOM 588 O SER A 78 11.317 -7.772 8.847 1.00 36.28 O ATOM 589 CB SER A 78 14.403 -6.633 8.163 1.00 32.35 C ATOM 590 OG SER A 78 13.835 -6.280 6.926 1.00 33.47 O ATOM 591 HG SER A 78 14.521 -6.353 6.216 1.00 0.00 H ATOM 592 H SER A 78 15.058 -6.089 10.511 1.00 0.00 H ATOM 593 N ASN A 79 12.960 -8.882 9.871 1.00 32.75 N ATOM 594 CA ASN A 79 12.204 -10.138 9.824 1.00 33.42 C ATOM 595 C ASN A 79 11.397 -10.357 11.091 1.00 34.04 C ATOM 596 O ASN A 79 11.104 -11.498 11.430 1.00 33.20 O ATOM 597 CB ASN A 79 13.137 -11.349 9.651 1.00 35.89 C ATOM 598 H ASN A 79 13.878 -8.846 10.358 1.00 0.00 H ATOM 599 N ASP A 80 11.004 -9.277 11.776 1.00 32.01 N ATOM 600 CA ASP A 80 10.372 -9.394 13.080 1.00 26.34 C ATOM 601 C ASP A 80 9.163 -8.509 13.125 1.00 27.18 C ATOM 602 O ASP A 80 9.099 -7.479 12.429 1.00 25.34 O ATOM 603 CB ASP A 80 11.375 -8.984 14.164 1.00 25.37 C ATOM 604 CG ASP A 80 10.908 -9.332 15.566 1.00 28.43 C ATOM 605 OD1 ASP A 80 10.170 -8.546 16.181 1.00 26.87 O ATOM 606 OD2 ASP A 80 11.285 -10.415 16.055 1.00 32.13 O ATOM 607 H ASP A 80 11.154 -8.333 11.367 1.00 0.00 H ATOM 608 N LEU A 81 8.203 -8.874 13.972 1.00 25.63 N ATOM 609 CA LEU A 81 7.067 -8.013 14.223 1.00 27.26 C ATOM 610 C LEU A 81 7.478 -6.579 14.531 1.00 26.02 C ATOM 611 O LEU A 81 6.790 -5.632 14.123 1.00 25.07 O ATOM 612 CB LEU A 81 6.204 -8.568 15.382 1.00 30.75 C ATOM 613 CG LEU A 81 5.067 -7.672 15.922 1.00 31.17 C ATOM 614 CD1 LEU A 81 4.022 -7.375 14.865 1.00 33.47 C ATOM 615 CD2 LEU A 81 4.444 -8.323 17.142 1.00 32.75 C ATOM 616 H LEU A 81 8.270 -9.790 14.460 1.00 0.00 H ATOM 617 N LEU A 82 8.590 -6.400 15.245 1.00 23.92 N ATOM 618 CA LEU A 82 9.030 -5.040 15.582 1.00 24.52 C ATOM 619 C LEU A 82 9.265 -4.183 14.308 1.00 27.72 C ATOM 620 O LEU A 82 8.958 -2.994 14.280 1.00 27.66 O ATOM 621 CB LEU A 82 10.280 -5.085 16.453 1.00 23.71 C ATOM 622 CG LEU A 82 10.809 -3.701 16.864 1.00 24.29 C ATOM 623 CD1 LEU A 82 9.820 -2.987 17.748 1.00 25.37 C ATOM 624 CD2 LEU A 82 12.140 -3.903 17.577 1.00 23.87 C ATOM 625 H LEU A 82 9.144 -7.221 15.562 1.00 0.00 H ATOM 626 N GLY A 83 9.845 -4.797 13.292 1.00 26.14 N ATOM 627 CA GLY A 83 10.010 -4.132 11.991 1.00 28.48 C ATOM 628 C GLY A 83 8.707 -3.771 11.314 1.00 28.89 C ATOM 629 O GLY A 83 8.585 -2.705 10.729 1.00 30.36 O ATOM 630 H GLY A 83 10.192 -5.770 13.415 1.00 0.00 H ATOM 631 N ASP A 84 7.722 -4.631 11.415 1.00 28.40 N ATOM 632 CA ASP A 84 6.368 -4.300 10.887 1.00 31.94 C ATOM 633 C ASP A 84 5.706 -3.122 11.611 1.00 29.80 C ATOM 634 O ASP A 84 5.212 -2.213 10.969 1.00 28.41 O ATOM 635 CB ASP A 84 5.447 -5.516 10.954 1.00 34.86 C ATOM 636 CG ASP A 84 5.965 -6.670 10.097 1.00 41.08 C ATOM 637 OD1 ASP A 84 6.818 -6.418 9.236 1.00 41.16 O ATOM 638 OD2 ASP A 84 5.542 -7.825 10.304 1.00 48.92 O ATOM 639 H ASP A 84 7.887 -5.553 11.868 1.00 0.00 H ATOM 640 N LEU A 85 5.803 -3.100 12.935 1.00 28.05 N ATOM 641 CA LEU A 85 5.230 -2.032 13.710 1.00 28.19 C ATOM 642 C LEU A 85 5.974 -0.734 13.497 1.00 26.89 C ATOM 643 O LEU A 85 5.368 0.338 13.456 1.00 26.92 O ATOM 644 CB LEU A 85 5.244 -2.374 15.218 1.00 29.31 C ATOM 645 CG LEU A 85 4.522 -3.620 15.703 1.00 33.15 C ATOM 646 CD1 LEU A 85 4.574 -3.759 17.206 1.00 35.26 C ATOM 647 CD2 LEU A 85 3.075 -3.625 15.248 1.00 36.08 C ATOM 648 H LEU A 85 6.304 -3.871 13.422 1.00 0.00 H ATOM 649 N PHE A 86 7.301 -0.794 13.505 1.00 23.40 N ATOM 650 CA PHE A 86 8.062 0.414 13.426 1.00 23.66 C ATOM 651 C PHE A 86 8.150 0.940 11.950 1.00 26.27 C ATOM 652 O PHE A 86 8.368 2.119 11.716 1.00 28.37 O ATOM 653 CB PHE A 86 9.448 0.181 13.963 1.00 23.43 C ATOM 654 CG PHE A 86 9.614 0.378 15.463 1.00 21.37 C ATOM 655 CD1 PHE A 86 8.550 0.426 16.350 1.00 23.94 C ATOM 656 CD2 PHE A 86 10.869 0.493 15.969 1.00 20.47 C ATOM 657 CE1 PHE A 86 8.795 0.597 17.720 1.00 22.90 C ATOM 658 CE2 PHE A 86 11.120 0.687 17.304 1.00 22.14 C ATOM 659 CZ PHE A 86 10.074 0.744 18.192 1.00 21.18 C ATOM 660 H PHE A 86 7.783 -1.713 13.568 1.00 0.00 H ATOM 661 N GLY A 87 7.972 0.063 10.986 1.00 23.02 N ATOM 662 CA GLY A 87 8.021 0.444 9.595 1.00 25.90 C ATOM 663 C GLY A 87 9.399 0.665 9.030 1.00 25.02 C ATOM 664 O GLY A 87 9.550 1.440 8.072 1.00 28.06 O ATOM 665 H GLY A 87 7.791 -0.931 11.233 1.00 0.00 H ATOM 666 N VAL A 88 10.408 -0.032 9.600 1.00 23.27 N ATOM 667 CA VAL A 88 11.801 0.075 9.181 1.00 22.82 C ATOM 668 C VAL A 88 12.471 -1.322 9.264 1.00 22.67 C ATOM 669 O VAL A 88 12.033 -2.180 10.007 1.00 27.59 O ATOM 670 CB VAL A 88 12.637 1.085 9.981 1.00 23.32 C ATOM 671 CG1 VAL A 88 12.108 2.511 9.868 1.00 24.20 C ATOM 672 CG2 VAL A 88 12.728 0.661 11.461 1.00 23.49 C ATOM 673 H VAL A 88 10.178 -0.680 10.380 1.00 0.00 H ATOM 674 N PRO A 89 13.419 -1.585 8.372 1.00 22.02 N ATOM 675 CA PRO A 89 14.198 -2.790 8.469 1.00 21.17 C ATOM 676 C PRO A 89 15.239 -2.766 9.611 1.00 19.61 C ATOM 677 O PRO A 89 15.712 -3.821 10.034 1.00 20.12 O ATOM 678 CB PRO A 89 14.918 -2.837 7.117 1.00 22.14 C ATOM 679 CG PRO A 89 15.052 -1.431 6.712 1.00 22.64 C ATOM 680 CD PRO A 89 13.820 -0.746 7.223 1.00 21.28 C ATOM 681 N SER A 90 15.642 -1.584 10.058 1.00 19.51 N ATOM 682 CA SER A 90 16.632 -1.442 11.106 1.00 19.34 C ATOM 683 C SER A 90 16.592 -0.059 11.676 1.00 21.40 C ATOM 684 O SER A 90 16.061 0.872 11.057 1.00 19.71 O ATOM 685 CB SER A 90 18.051 -1.757 10.576 1.00 20.81 C ATOM 686 OG SER A 90 18.499 -0.766 9.663 1.00 19.35 O ATOM 687 HG SER A 90 19.407 -0.998 9.345 1.00 0.00 H ATOM 688 H SER A 90 15.231 -0.725 9.640 1.00 0.00 H ATOM 689 N PHE A 91 17.139 0.078 12.888 1.00 19.91 N ATOM 690 CA PHE A 91 17.339 1.367 13.482 1.00 21.32 C ATOM 691 C PHE A 91 18.502 1.322 14.417 1.00 20.76 C ATOM 692 O PHE A 91 18.922 0.237 14.875 1.00 17.83 O ATOM 693 CB PHE A 91 16.077 1.851 14.200 1.00 22.79 C ATOM 694 CG PHE A 91 15.635 1.002 15.353 1.00 23.03 C ATOM 695 CD1 PHE A 91 14.826 -0.073 15.140 1.00 23.62 C ATOM 696 CD2 PHE A 91 16.037 1.291 16.640 1.00 23.13 C ATOM 697 CE1 PHE A 91 14.378 -0.830 16.214 1.00 22.65 C ATOM 698 CE2 PHE A 91 15.633 0.501 17.713 1.00 23.60 C ATOM 699 CZ PHE A 91 14.786 -0.554 17.500 1.00 20.58 C ATOM 700 H PHE A 91 17.427 -0.772 13.413 1.00 0.00 H ATOM 701 N SER A 92 19.042 2.495 14.682 1.00 20.95 N ATOM 702 CA SER A 92 20.147 2.601 15.620 1.00 22.96 C ATOM 703 C SER A 92 19.639 3.015 17.000 1.00 24.00 C ATOM 704 O SER A 92 18.806 3.929 17.110 1.00 22.44 O ATOM 705 CB SER A 92 21.141 3.634 15.120 1.00 22.81 C ATOM 706 OG SER A 92 22.024 3.967 16.167 1.00 24.57 O ATOM 707 HG SER A 92 22.675 4.641 15.847 1.00 0.00 H ATOM 708 H SER A 92 18.675 3.350 14.217 1.00 0.00 H ATOM 709 N VAL A 93 20.172 2.386 18.044 1.00 23.88 N ATOM 710 CA VAL A 93 19.749 2.671 19.397 1.00 22.52 C ATOM 711 C VAL A 93 20.176 4.078 19.772 1.00 25.04 C ATOM 712 O VAL A 93 19.644 4.606 20.713 1.00 26.24 O ATOM 713 CB VAL A 93 20.287 1.705 20.454 1.00 20.35 C ATOM 714 CG1 VAL A 93 19.908 0.255 20.135 1.00 21.72 C ATOM 715 CG2 VAL A 93 21.797 1.827 20.564 1.00 22.97 C ATOM 716 H VAL A 93 20.911 1.672 17.883 1.00 0.00 H ATOM 717 N LYS A 94 21.083 4.687 19.031 1.00 25.14 N ATOM 718 CA LYS A 94 21.476 6.052 19.314 1.00 28.51 C ATOM 719 C LYS A 94 20.456 7.095 18.808 1.00 26.24 C ATOM 720 O LYS A 94 20.524 8.227 19.181 1.00 28.84 O ATOM 721 CB LYS A 94 22.842 6.376 18.645 1.00 33.54 C ATOM 722 CG LYS A 94 24.025 5.413 18.813 1.00 38.71 C ATOM 723 CD LYS A 94 24.246 4.804 20.195 1.00 44.90 C ATOM 724 H LYS A 94 21.520 4.181 18.235 1.00 0.00 H ATOM 725 N GLU A 95 19.535 6.720 17.931 1.00 25.64 N ATOM 726 CA GLU A 95 18.608 7.679 17.325 1.00 26.37 C ATOM 727 C GLU A 95 17.312 7.814 18.138 1.00 25.60 C ATOM 728 O GLU A 95 16.283 7.338 17.721 1.00 24.89 O ATOM 729 CB GLU A 95 18.286 7.202 15.910 1.00 28.17 C ATOM 730 CG GLU A 95 19.505 7.182 15.011 1.00 30.52 C ATOM 731 CD GLU A 95 19.882 8.565 14.562 1.00 36.91 C ATOM 732 OE1 GLU A 95 19.007 9.451 14.547 1.00 42.00 O ATOM 733 OE2 GLU A 95 21.053 8.754 14.209 1.00 45.93 O ATOM 734 H GLU A 95 19.469 5.717 17.666 1.00 0.00 H ATOM 735 N HIS A 96 17.367 8.495 19.280 1.00 25.88 N ATOM 736 CA HIS A 96 16.279 8.454 20.223 1.00 24.48 C ATOM 737 C HIS A 96 15.021 9.043 19.677 1.00 25.80 C ATOM 738 O HIS A 96 13.966 8.467 19.833 1.00 27.05 O ATOM 739 CB HIS A 96 16.658 9.079 21.573 1.00 25.56 C ATOM 740 CG HIS A 96 17.722 8.297 22.309 1.00 27.98 C ATOM 741 ND1 HIS A 96 18.223 8.679 23.535 1.00 27.76 N ATOM 742 CD2 HIS A 96 18.382 7.154 21.978 1.00 27.41 C ATOM 743 CE1 HIS A 96 19.147 7.811 23.924 1.00 28.94 C ATOM 744 NE2 HIS A 96 19.282 6.889 22.991 1.00 26.71 N ATOM 745 H HIS A 96 18.209 9.066 19.495 1.00 0.00 H ATOM 746 N ARG A 97 15.122 10.196 19.021 1.00 27.74 N ATOM 747 CA ARG A 97 13.947 10.843 18.540 1.00 26.29 C ATOM 748 C ARG A 97 13.263 9.994 17.475 1.00 25.60 C ATOM 749 O ARG A 97 12.022 9.897 17.485 1.00 27.09 O ATOM 750 CB ARG A 97 14.278 12.260 18.013 1.00 29.31 C ATOM 751 CG ARG A 97 13.144 12.912 17.234 1.00 27.53 C ATOM 752 CD ARG A 97 11.902 13.032 18.091 1.00 27.62 C ATOM 753 NE ARG A 97 12.090 13.836 19.310 1.00 28.18 N ATOM 754 CZ ARG A 97 11.290 13.816 20.380 1.00 27.82 C ATOM 755 NH1 ARG A 97 10.216 13.052 20.437 1.00 28.05 N ATOM 756 NH2 ARG A 97 11.574 14.594 21.416 1.00 28.87 N ATOM 757 HE ARG A 97 12.913 14.471 19.341 1.00 0.00 H ATOM 758 HH12 ARG A 97 9.616 13.062 21.286 1.00 0.00 H ATOM 759 HH11 ARG A 97 9.970 12.440 19.633 1.00 0.00 H ATOM 760 HH22 ARG A 97 10.959 14.588 22.255 1.00 0.00 H ATOM 761 HH21 ARG A 97 12.411 15.210 21.389 1.00 0.00 H ATOM 762 H ARG A 97 16.056 10.624 18.860 1.00 0.00 H ATOM 763 N LYS A 98 14.037 9.367 16.593 1.00 25.80 N ATOM 764 CA LYS A 98 13.487 8.496 15.579 1.00 25.43 C ATOM 765 C LYS A 98 12.732 7.395 16.240 1.00 24.04 C ATOM 766 O LYS A 98 11.631 7.039 15.816 1.00 23.44 O ATOM 767 CB LYS A 98 14.546 7.886 14.659 1.00 29.35 C ATOM 768 CG LYS A 98 15.043 8.807 13.536 1.00 32.24 C ATOM 769 CD LYS A 98 15.923 8.073 12.482 1.00 32.12 C ATOM 770 CE LYS A 98 16.415 8.926 11.310 1.00 33.01 C ATOM 771 H LYS A 98 15.067 9.508 16.634 1.00 0.00 H ATOM 772 N ILE A 99 13.287 6.873 17.328 1.00 23.70 N ATOM 773 CA ILE A 99 12.658 5.735 17.997 1.00 23.71 C ATOM 774 C ILE A 99 11.321 6.153 18.645 1.00 20.80 C ATOM 775 O ILE A 99 10.336 5.474 18.519 1.00 20.99 O ATOM 776 CB ILE A 99 13.643 5.088 19.027 1.00 22.07 C ATOM 777 CG1 ILE A 99 14.788 4.414 18.290 1.00 21.92 C ATOM 778 CG2 ILE A 99 12.912 4.065 19.870 1.00 24.96 C ATOM 779 CD1 ILE A 99 15.951 4.008 19.163 1.00 22.41 C ATOM 780 H ILE A 99 14.170 7.274 17.704 1.00 0.00 H ATOM 781 N TYR A 100 11.325 7.296 19.326 1.00 23.20 N ATOM 782 CA TYR A 100 10.120 7.805 19.951 1.00 22.04 C ATOM 783 C TYR A 100 9.036 8.013 18.865 1.00 21.39 C ATOM 784 O TYR A 100 7.872 7.671 19.088 1.00 24.61 O ATOM 785 CB TYR A 100 10.386 9.134 20.673 1.00 22.64 C ATOM 786 CG TYR A 100 10.734 9.032 22.139 1.00 23.44 C ATOM 787 CD1 TYR A 100 11.869 8.407 22.554 1.00 24.74 C ATOM 788 CD2 TYR A 100 9.881 9.542 23.115 1.00 25.51 C ATOM 789 CE1 TYR A 100 12.203 8.304 23.888 1.00 25.93 C ATOM 790 CE2 TYR A 100 10.170 9.401 24.461 1.00 26.39 C ATOM 791 CZ TYR A 100 11.342 8.791 24.845 1.00 27.27 C ATOM 792 OH TYR A 100 11.628 8.623 26.179 1.00 27.55 O ATOM 793 HH TYR A 100 12.503 8.170 26.273 1.00 0.00 H ATOM 794 H TYR A 100 12.210 7.835 19.412 1.00 0.00 H ATOM 795 N THR A 101 9.423 8.543 17.714 1.00 22.38 N ATOM 796 CA THR A 101 8.485 8.736 16.597 1.00 24.00 C ATOM 797 C THR A 101 7.868 7.422 16.181 1.00 23.30 C ATOM 798 O THR A 101 6.676 7.311 16.051 1.00 22.45 O ATOM 799 CB THR A 101 9.174 9.463 15.436 1.00 25.79 C ATOM 800 OG1 THR A 101 9.615 10.741 15.904 1.00 26.21 O ATOM 801 CG2 THR A 101 8.224 9.650 14.222 1.00 27.18 C ATOM 802 HG1 THR A 101 10.251 10.616 16.652 1.00 0.00 H ATOM 803 H THR A 101 10.416 8.830 17.597 1.00 0.00 H ATOM 804 N MET A 102 8.677 6.385 16.052 1.00 22.39 N ATOM 805 CA MET A 102 8.168 5.084 15.660 1.00 20.98 C ATOM 806 C MET A 102 7.250 4.477 16.689 1.00 20.09 C ATOM 807 O MET A 102 6.240 3.826 16.367 1.00 21.07 O ATOM 808 CB MET A 102 9.331 4.150 15.364 1.00 22.65 C ATOM 809 CG MET A 102 10.072 4.544 14.108 1.00 26.18 C ATOM 810 SD MET A 102 11.419 3.445 13.606 1.00 30.66 S ATOM 811 CE MET A 102 12.624 3.655 14.883 1.00 29.09 C ATOM 812 H MET A 102 9.694 6.503 16.234 1.00 0.00 H ATOM 813 N ILE A 103 7.608 4.648 17.949 1.00 20.83 N ATOM 814 CA ILE A 103 6.786 4.120 19.022 1.00 21.48 C ATOM 815 C ILE A 103 5.412 4.813 19.096 1.00 21.73 C ATOM 816 O ILE A 103 4.428 4.159 19.244 1.00 21.04 O ATOM 817 CB ILE A 103 7.503 4.259 20.388 1.00 23.02 C ATOM 818 CG1 ILE A 103 8.766 3.356 20.437 1.00 22.59 C ATOM 819 CG2 ILE A 103 6.606 3.799 21.534 1.00 23.56 C ATOM 820 CD1 ILE A 103 9.674 3.657 21.613 1.00 22.77 C ATOM 821 H ILE A 103 8.483 5.163 18.173 1.00 0.00 H ATOM 822 N TYR A 104 5.405 6.153 18.998 1.00 24.36 N ATOM 823 CA TYR A 104 4.200 6.949 19.069 1.00 25.01 C ATOM 824 C TYR A 104 3.161 6.532 18.043 1.00 27.89 C ATOM 825 O TYR A 104 1.985 6.565 18.310 1.00 27.03 O ATOM 826 CB TYR A 104 4.521 8.451 18.893 1.00 27.26 C ATOM 827 CG TYR A 104 5.118 9.176 20.074 1.00 27.43 C ATOM 828 CD1 TYR A 104 4.668 8.939 21.346 1.00 30.10 C ATOM 829 CD2 TYR A 104 6.073 10.178 19.905 1.00 29.19 C ATOM 830 CE1 TYR A 104 5.179 9.601 22.438 1.00 32.00 C ATOM 831 CE2 TYR A 104 6.594 10.879 21.005 1.00 29.60 C ATOM 832 CZ TYR A 104 6.135 10.586 22.272 1.00 30.71 C ATOM 833 OH TYR A 104 6.636 11.210 23.405 1.00 31.54 O ATOM 834 HH TYR A 104 6.484 12.186 23.337 1.00 0.00 H ATOM 835 H TYR A 104 6.313 6.643 18.864 1.00 0.00 H ATOM 836 N ARG A 105 3.584 6.097 16.871 1.00 27.06 N ATOM 837 CA ARG A 105 2.625 5.581 15.898 1.00 29.66 C ATOM 838 C ARG A 105 1.960 4.322 16.373 1.00 27.09 C ATOM 839 O ARG A 105 0.945 3.939 15.801 1.00 26.24 O ATOM 840 CB ARG A 105 3.287 5.310 14.535 1.00 31.98 C ATOM 841 CG ARG A 105 3.660 6.615 13.838 1.00 34.01 C ATOM 842 CD ARG A 105 4.229 6.408 12.395 1.00 38.70 C ATOM 843 H ARG A 105 4.598 6.122 16.641 1.00 0.00 H ATOM 844 N ASN A 106 2.486 3.660 17.414 1.00 22.37 N ATOM 845 CA ASN A 106 1.875 2.422 17.873 1.00 23.46 C ATOM 846 C ASN A 106 1.176 2.537 19.247 1.00 23.71 C ATOM 847 O ASN A 106 1.007 1.568 19.970 1.00 24.63 O ATOM 848 CB ASN A 106 2.922 1.332 17.905 1.00 22.61 C ATOM 849 CG ASN A 106 3.317 0.922 16.552 1.00 23.28 C ATOM 850 OD1 ASN A 106 2.577 0.187 15.912 1.00 28.48 O ATOM 851 ND2 ASN A 106 4.417 1.448 16.059 1.00 22.08 N ATOM 852 HD22 ASN A 106 5.008 2.067 16.650 1.00 0.00 H ATOM 853 HD21 ASN A 106 4.696 1.245 15.078 1.00 0.00 H ATOM 854 H ASN A 106 3.331 4.032 17.893 1.00 0.00 H ATOM 855 N LEU A 107 0.815 3.760 19.625 1.00 25.02 N ATOM 856 CA LEU A 107 0.154 3.967 20.889 1.00 24.78 C ATOM 857 C LEU A 107 -0.759 5.174 20.859 1.00 28.12 C ATOM 858 O LEU A 107 -0.772 5.970 19.888 1.00 26.94 O ATOM 859 CB LEU A 107 1.196 4.103 21.990 1.00 24.86 C ATOM 860 CG LEU A 107 2.253 5.145 21.821 1.00 25.47 C ATOM 861 CD1 LEU A 107 1.710 6.531 22.184 1.00 25.53 C ATOM 862 CD2 LEU A 107 3.435 4.807 22.675 1.00 26.60 C ATOM 863 H LEU A 107 1.011 4.572 19.005 1.00 0.00 H ATOM 864 N VAL A 108 -1.502 5.336 21.951 1.00 26.45 N ATOM 865 CA VAL A 108 -2.290 6.551 22.190 1.00 30.15 C ATOM 866 C VAL A 108 -1.742 7.237 23.428 1.00 28.10 C ATOM 867 O VAL A 108 -1.590 6.581 24.446 1.00 29.37 O ATOM 868 CB VAL A 108 -3.756 6.148 22.396 1.00 32.71 C ATOM 869 CG1 VAL A 108 -4.619 7.350 22.763 1.00 36.46 C ATOM 870 CG2 VAL A 108 -4.265 5.506 21.116 1.00 35.41 C ATOM 871 H VAL A 108 -1.525 4.575 22.660 1.00 0.00 H ATOM 872 N VAL A 109 -1.445 8.542 23.344 1.00 27.38 N ATOM 873 CA VAL A 109 -0.959 9.301 24.484 1.00 28.76 C ATOM 874 C VAL A 109 -2.138 9.532 25.428 1.00 31.72 C ATOM 875 O VAL A 109 -3.267 9.865 24.995 1.00 33.02 O ATOM 876 CB VAL A 109 -0.323 10.659 24.065 1.00 30.19 C ATOM 877 CG1 VAL A 109 -0.013 11.542 25.267 1.00 30.00 C ATOM 878 CG2 VAL A 109 0.949 10.426 23.285 1.00 31.56 C ATOM 879 H VAL A 109 -1.567 9.027 22.432 1.00 0.00 H ATOM 880 N VAL A 110 -1.885 9.340 26.712 1.00 30.58 N ATOM 881 CA VAL A 110 -2.874 9.615 27.755 1.00 33.81 C ATOM 882 C VAL A 110 -2.647 11.037 28.237 1.00 34.60 C ATOM 883 O VAL A 110 -1.549 11.369 28.685 1.00 39.03 O ATOM 884 CB VAL A 110 -2.684 8.676 28.928 1.00 33.56 C ATOM 885 CG1 VAL A 110 -3.614 9.039 30.072 1.00 36.16 C ATOM 886 CG2 VAL A 110 -2.967 7.275 28.457 1.00 32.91 C ATOM 887 H VAL A 110 -0.950 8.981 26.990 1.00 0.00 H ATOM 888 N ASN A 111 -3.645 11.878 28.088 1.00 34.17 N ATOM 889 CA ASN A 111 -3.599 13.228 28.633 1.00 37.78 C ATOM 890 C ASN A 111 -3.323 13.184 30.132 1.00 41.79 C ATOM 891 O ASN A 111 -3.869 12.330 30.858 1.00 36.20 O ATOM 892 CB ASN A 111 -4.908 13.919 28.390 1.00 41.78 C ATOM 893 CG ASN A 111 -5.219 14.052 26.905 1.00 47.89 C ATOM 894 OD1 ASN A 111 -4.350 14.410 26.083 1.00 51.05 O ATOM 895 ND2 ASN A 111 -6.442 13.731 26.552 1.00 45.95 N ATOM 896 HD22 ASN A 111 -7.132 13.439 27.273 1.00 0.00 H ATOM 897 HD21 ASN A 111 -6.721 13.769 25.551 1.00 0.00 H ATOM 898 H ASN A 111 -4.491 11.572 27.567 1.00 0.00 H ATOM 899 N GLN A 112 -2.527 14.179 30.534 1.00 42.47 N ATOM 900 CA GLN A 112 -1.802 14.358 31.793 1.00 46.14 C ATOM 901 C GLN A 112 -1.368 13.129 32.552 1.00 48.14 C ATOM 902 O GLN A 112 -0.201 12.733 32.421 1.00 55.35 O ATOM 903 CB GLN A 112 -2.459 15.402 32.682 1.00 47.58 C ATOM 904 CG GLN A 112 -1.789 15.582 34.020 1.00 50.99 C ATOM 905 CD GLN A 112 -2.304 16.767 34.796 1.00 55.64 C ATOM 906 OE1 GLN A 112 -2.280 16.771 36.032 1.00 57.28 O ATOM 907 NE2 GLN A 112 -2.751 17.789 34.085 1.00 61.50 N ATOM 908 HE22 GLN A 112 -2.752 17.739 33.046 1.00 0.00 H ATOM 909 HE21 GLN A 112 -3.102 18.642 34.565 1.00 0.00 H ATOM 910 H GLN A 112 -2.403 14.947 29.844 1.00 0.00 H TER 911 GLN A 112 HETATM 912 O HOH 1 4.934 -9.466 11.926 1.00 43.78 O HETATM 913 O HOH 2 16.895 -9.222 5.826 1.00 39.97 O HETATM 914 O HOH 3 2.955 -10.331 30.357 1.00 29.12 O HETATM 915 O HOH 4 14.600 -13.245 16.507 1.00 45.13 O HETATM 916 O HOH 5 12.718 -12.102 14.801 1.00 28.14 O HETATM 917 O HOH 6 -6.801 -1.650 31.113 1.00 33.52 O HETATM 918 O HOH 7 22.097 -14.409 17.704 1.00 46.77 O HETATM 919 O HOH 8 16.768 -15.576 23.239 1.00 38.43 O HETATM 920 O HOH 9 21.702 0.483 28.160 1.00 38.00 O HETATM 921 O HOH 10 22.744 -10.680 17.697 1.00 42.27 O HETATM 922 O HOH 11 8.423 -12.410 22.746 1.00 40.47 O HETATM 923 O HOH 12 24.327 -14.722 15.765 1.00 48.08 O HETATM 924 O HOH 13 -4.236 2.999 23.059 1.00 26.62 O HETATM 925 O HOH 14 10.150 -5.437 8.889 1.00 48.30 O HETATM 926 O HOH 15 -1.217 15.378 28.604 1.00 47.64 O HETATM 927 O HOH 16 8.472 5.379 34.440 1.00 35.31 O HETATM 928 O HOH 17 4.440 10.054 34.269 1.00 37.11 O HETATM 929 O HOH 18 -4.744 -2.560 27.349 1.00 42.88 O HETATM 930 O HOH 19 7.341 -7.144 33.949 1.00 20.42 O HETATM 931 O HOH 20 -3.680 -7.201 26.804 1.00 36.79 O HETATM 932 O HOH 21 6.829 -11.033 18.412 1.00 38.11 O HETATM 933 O HOH 22 13.709 3.410 29.922 1.00 20.66 O HETATM 934 O HOH 23 -2.941 -6.779 22.637 1.00 28.37 O HETATM 935 O HOH 24 1.704 -11.043 24.506 1.00 34.73 O HETATM 936 O HOH 25 5.121 13.637 31.179 1.00 45.61 O HETATM 937 O HOH 26 -2.213 -2.782 17.172 1.00 39.81 O HETATM 938 O HOH 27 18.504 -4.834 25.108 1.00 27.05 O HETATM 939 O HOH 28 7.709 3.057 6.960 1.00 31.80 O HETATM 940 O HOH 29 20.909 4.689 23.469 1.00 22.27 O HETATM 941 O HOH 30 4.881 12.942 24.538 1.00 50.26 O HETATM 942 O HOH 31 23.358 1.972 24.017 1.00 37.57 O HETATM 943 O HOH 32 13.909 -10.544 29.827 1.00 25.11 O HETATM 944 O HOH 33 4.472 -4.098 33.474 1.00 18.80 O HETATM 945 O HOH 34 16.943 10.313 16.122 1.00 26.11 O HETATM 946 O HOH 35 8.714 11.981 18.408 1.00 33.44 O HETATM 947 O HOH 36 29.499 -3.855 17.291 1.00 46.66 O HETATM 948 O HOH 37 11.351 2.160 6.106 1.00 26.07 O HETATM 949 O HOH 38 23.970 5.485 14.925 1.00 44.46 O HETATM 950 O HOH 39 4.925 9.351 15.412 1.00 31.43 O HETATM 951 O HOH 40 14.220 7.983 26.911 1.00 31.51 O HETATM 952 O HOH 41 2.064 0.141 13.187 1.00 38.36 O HETATM 953 O HOH 42 15.692 -3.096 28.771 1.00 17.85 O HETATM 954 O HOH 43 17.734 11.119 25.143 1.00 49.45 O HETATM 955 O HOH 44 8.093 -11.450 15.055 1.00 30.48 O HETATM 956 O HOH 45 14.843 -9.089 12.066 1.00 26.92 O HETATM 957 O HOH 46 18.192 -9.510 13.398 1.00 32.49 O HETATM 958 O HOH 47 -2.876 -5.438 32.096 1.00 38.60 O HETATM 959 O HOH 48 26.037 0.898 8.980 1.00 41.76 O HETATM 960 O HOH 49 -4.148 -2.113 22.942 1.00 37.58 O HETATM 961 O HOH 50 6.423 -15.246 26.501 1.00 51.93 O HETATM 962 O HOH 51 -3.063 -0.344 26.204 1.00 24.52 O HETATM 963 O HOH 52 0.656 8.831 19.472 1.00 38.56 O HETATM 964 O HOH 53 20.413 -9.715 14.557 1.00 45.61 O HETATM 965 O HOH 54 -1.609 9.808 20.756 1.00 41.48 O HETATM 966 O HOH 55 17.715 4.600 13.189 1.00 22.81 O HETATM 967 O HOH 56 11.999 17.837 31.264 1.00 39.85 O HETATM 968 O HOH 57 1.185 11.927 29.607 1.00 43.89 O HETATM 969 O HOH 58 6.220 3.667 13.459 1.00 42.79 O HETATM 970 O HOH 59 9.106 4.643 10.446 1.00 38.21 O HETATM 971 O HOH 60 0.638 -1.356 17.928 1.00 42.47 O HETATM 972 O HOH 61 23.109 -1.672 21.705 1.00 34.00 O HETATM 973 O HOH 62 17.543 11.902 18.676 1.00 30.38 O HETATM 974 O HOH 63 23.950 -4.656 21.953 1.00 50.01 O HETATM 975 O HOH 64 7.105 -7.461 6.401 1.00 47.31 O HETATM 976 O HOH 65 -5.987 3.978 25.009 1.00 38.56 O HETATM 977 O HOH 66 19.329 10.781 20.370 1.00 33.99 O HETATM 978 O HOH 67 13.213 -10.468 7.236 1.00 47.96 O HETATM 979 O HOH 68 11.267 7.884 12.790 1.00 41.48 O HETATM 980 O HOH 69 21.134 -9.715 19.880 1.00 29.00 O HETATM 981 O HOH 70 5.114 -13.663 28.698 1.00 49.98 O HETATM 982 O HOH 71 10.094 -13.894 25.522 1.00 49.59 O HETATM 983 O HOH 72 12.336 11.503 14.104 1.00 49.20 O HETATM 984 O HOH 73 16.388 9.538 26.374 1.00 41.77 O HETATM 985 O HOH 74 28.688 1.815 8.236 1.00 47.46 O HETATM 986 O HOH 75 -1.847 -7.640 24.838 1.00 30.60 O HETATM 987 O HOH 76 8.762 -0.947 5.477 1.00 34.69 O HETATM 988 O HOH 77 14.534 -11.479 12.974 1.00 35.45 O HETATM 989 O HOH 78 23.337 -3.330 23.633 1.00 41.60 O HETATM 990 O HOH 79 14.744 5.661 28.543 1.00 37.39 O HETATM 991 O HOH 80 15.321 3.914 32.223 1.00 30.97 O HETATM 992 O HOH 81 7.019 5.997 11.917 1.00 42.37 O HETATM 993 O HOH 82 17.732 5.566 29.103 1.00 42.47 O HETATM 994 O HOH 83 16.534 -15.738 25.657 1.00 47.68 O HETATM 995 O HOH 84 0.324 20.789 34.541 1.00 47.64 O HETATM 996 O HOH 85 11.470 10.216 11.974 1.00 50.95 O HETATM 997 O HOH 86 6.376 7.989 11.647 1.00 47.69 O HETATM 998 O HOH 87 -1.031 -10.057 24.966 1.00 37.79 O HETATM 999 O HOH 88 18.226 7.985 28.111 1.00 41.84 O HETATM 1000 O HOH 89 -0.901 12.490 20.817 1.00 48.36 O HETATM 1001 O HOH 90 5.584 -12.221 16.258 1.00 43.66 O HETATM 1002 O HOH 91 2.385 -10.883 12.984 1.00 52.99 O HETATM 1003 C5 UNN A 92 18.048 -1.394 25.490 1.00 -0.01 C HETATM 1004 C6 UNN A 92 17.094 -0.807 24.480 1.00 -0.05 C HETATM 1005 C7 UNN A 92 17.443 -0.760 23.128 1.00 -0.06 C HETATM 1006 C8 UNN A 92 16.601 -0.233 22.186 1.00 -0.05 C HETATM 1007 C9 UNN A 92 15.359 0.268 22.589 1.00 0.03 C HETATM 1008 C10 UNN A 92 14.971 0.227 23.932 1.00 -0.05 C HETATM 1009 C11 UNN A 92 15.851 -0.328 24.862 1.00 -0.06 C HETATM 1010 H6 UNN A 92 15.556 -0.386 25.904 1.00 0.06 H HETATM 1011 H5 UNN A 92 14.009 0.617 24.243 1.00 0.06 H HETATM 1012 CL1 UNN A 92 14.269 0.857 21.336 1.00 -0.08 CL HETATM 1013 H4 UNN A 92 16.893 -0.204 21.142 1.00 0.06 H HETATM 1014 H3 UNN A 92 18.405 -1.151 22.817 1.00 0.06 H HETATM 1015 C13 UNN A 92 19.084 -0.416 25.954 1.00 0.12 C HETATM 1016 C14 UNN A 92 18.515 0.857 26.465 1.00 0.00 C HETATM 1017 C15 UNN A 92 19.051 2.063 25.873 1.00 0.11 C HETATM 1018 C16 UNN A 92 19.962 1.430 24.920 1.00 0.26 C HETATM 1019 N18 UNN A 92 20.007 0.092 24.893 1.00 -0.29 N HETATM 1020 C19 UNN A 92 20.842 -0.822 24.087 1.00 0.01 C HETATM 1021 H7 UNN A 92 21.439 -0.238 23.372 1.00 0.05 H HETATM 1022 H8 UNN A 92 20.195 -1.522 23.538 1.00 0.05 H HETATM 1023 H9 UNN A 92 21.514 -1.386 24.751 1.00 0.05 H HETATM 1024 O20 UNN A 92 20.636 2.066 24.081 1.00 -0.35 O HETATM 1025 C28 UNN A 92 18.780 3.521 26.100 1.00 0.07 C HETATM 1026 C37 UNN A 92 17.766 4.007 25.115 1.00 -0.01 C HETATM 1027 C38 UNN A 92 17.137 5.171 25.426 1.00 -0.05 C HETATM 1028 C39 UNN A 92 16.243 5.771 24.583 1.00 -0.05 C HETATM 1029 C40 UNN A 92 15.900 5.169 23.450 1.00 0.04 C HETATM 1030 C41 UNN A 92 16.468 3.953 23.134 1.00 -0.05 C HETATM 1031 C42 UNN A 92 17.402 3.386 23.943 1.00 -0.05 C HETATM 1032 H16 UNN A 92 17.860 2.444 23.664 1.00 0.06 H HETATM 1033 H15 UNN A 92 16.165 3.442 22.227 1.00 0.06 H HETATM 1034 CL2 UNN A 92 14.654 5.993 22.440 1.00 -0.08 CL HETATM 1035 H14 UNN A 92 15.816 6.734 24.838 1.00 0.06 H HETATM 1036 H13 UNN A 92 17.352 5.642 26.378 1.00 0.06 H HETATM 1037 H11 UNN A 92 19.713 4.090 25.974 1.00 0.08 H HETATM 1038 H12 UNN A 92 18.397 3.667 27.121 1.00 0.08 H HETATM 1039 C44 UNN A 92 17.544 1.086 27.586 1.00 -0.01 C HETATM 1040 C45 UNN A 92 17.583 0.357 28.865 1.00 -0.02 C HETATM 1041 C46 UNN A 92 16.444 0.931 29.558 1.00 0.07 C HETATM 1042 N49 UNN A 92 15.848 1.824 28.794 1.00 -0.27 N HETATM 1043 C48 UNN A 92 16.469 1.932 27.570 1.00 0.04 C HETATM 1044 H17 UNN A 92 16.162 2.571 26.744 1.00 0.10 H HETATM 1045 H18 UNN A 92 15.023 2.372 29.077 1.00 0.23 H HETATM 1046 C56 UNN A 92 16.193 0.497 30.834 1.00 -0.03 C HETATM 1047 C57 UNN A 92 16.950 -0.480 31.396 1.00 0.03 C HETATM 1048 C58 UNN A 92 18.020 -1.064 30.733 1.00 -0.06 C HETATM 1049 C59 UNN A 92 18.341 -0.679 29.436 1.00 -0.07 C HETATM 1050 H21 UNN A 92 19.144 -1.159 28.888 1.00 0.05 H HETATM 1051 H20 UNN A 92 18.610 -1.826 31.230 1.00 0.05 H HETATM 1052 CL3 UNN A 92 16.516 -0.904 33.094 1.00 -0.08 CL HETATM 1053 H19 UNN A 92 15.381 0.939 31.401 1.00 0.06 H HETATM 1054 O21 UNN A 92 19.821 -0.924 27.066 1.00 -0.43 O HETATM 1055 H10 UNN A 92 20.358 -0.231 27.432 1.00 0.19 H HETATM 1056 H1 UNN A 92 18.558 -2.254 25.032 1.00 0.03 H HETATM 1057 H2 UNN A 92 17.470 -1.733 26.363 1.00 0.03 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1003 1004 1015 1056 1057 CONECT 1004 1003 1005 1009 CONECT 1005 1004 1006 1014 CONECT 1006 1005 1007 1013 CONECT 1007 1006 1008 1012 CONECT 1008 1007 1009 1011 CONECT 1009 1004 1008 1010 CONECT 1010 1009 CONECT 1011 1008 CONECT 1012 1007 CONECT 1013 1006 CONECT 1014 1005 CONECT 1015 1003 1016 1019 1054 CONECT 1016 1015 1017 1039 CONECT 1017 1016 1018 1025 CONECT 1018 1017 1019 1024 CONECT 1019 1015 1018 1020 CONECT 1020 1019 1021 1022 1023 CONECT 1021 1020 CONECT 1022 1020 CONECT 1023 1020 CONECT 1024 1018 CONECT 1025 1017 1026 1037 1038 CONECT 1026 1025 1027 1031 CONECT 1027 1026 1028 1036 CONECT 1028 1027 1029 1035 CONECT 1029 1028 1030 1034 CONECT 1030 1029 1031 1033 CONECT 1031 1026 1030 1032 CONECT 1032 1031 CONECT 1033 1030 CONECT 1034 1029 CONECT 1035 1028 CONECT 1036 1027 CONECT 1037 1025 CONECT 1038 1025 CONECT 1039 1016 1040 1043 CONECT 1040 1039 1041 1049 CONECT 1041 1040 1042 1046 CONECT 1042 1041 1043 1045 CONECT 1043 1039 1042 1044 CONECT 1044 1043 CONECT 1045 1042 CONECT 1046 1041 1047 1053 CONECT 1047 1046 1048 1052 CONECT 1048 1047 1049 1051 CONECT 1049 1040 1048 1050 CONECT 1050 1049 CONECT 1051 1048 CONECT 1052 1047 CONECT 1053 1046 CONECT 1054 1015 1055 CONECT 1055 1054 CONECT 1056 1003 CONECT 1057 1003 MASTER 0 0 0 0 0 0 0 0 1056 1 59 8 END
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Protein Sequence Similarity
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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4jve
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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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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
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PDBbind
96aa, >4QO4_1|Chain... at 98%
4qoc
RCSB PDB
PDBbind
96aa, >4QOC_1|Chains... at 98%
4wt2
RCSB PDB
PDBbind
105aa, >4WT2_1|Chain... at 100%
4zgk
RCSB PDB
PDBbind
98aa, >4ZGK_1|Chains... at 98%
4zyc
RCSB PDB
PDBbind
96aa, >4ZYC_1|Chains... at 97%
4zyf
RCSB PDB
PDBbind
96aa, >4ZYF_1|Chain... at 98%
4zyi
RCSB PDB
PDBbind
96aa, >4ZYI_1|Chain... at 98%
5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
5hmi
RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5j7g
RCSB PDB
PDBbind
109aa, >5J7G_1|Chains... at 99%
5lav
RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5laz
RCSB PDB
PDBbind
94aa, >5LAZ_1|Chain... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
5oai
RCSB PDB
PDBbind
97aa, >5OAI_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4zfi
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
4NJ
EC.Number
E.C.6.3.2
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=0.5uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) ACS Chem. Biol. Vol. 11: pp. 3310-3318
Ligand Properties
Formula
C
2
7
H
2
1
Cl
3
N
2
O
2
Molecular Weight
511.827
Exact Mass
510.067
No. of atoms
55
No. of bonds
59
Polar Surface Area
56.33
LOGP Value
6.17 (
Computed with XLOGP3
)
6.47 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 5
Canonical SMILES
Clc1ccc(cc1)CC1=C(c2c[nH]c3c2ccc(c3)Cl)[C@@](N(C1=O)C)(O)Cc1ccc(cc1)Cl
InChI String
InChI=1S/C27H21Cl3N2O2/c1-32-26(33)22(12-16-2-6-18(28)7-3-16)25(23-15-31-24-13-20(30)10-11-21(23)24)27(32,34)14-17-4-8-19(29)9-5-17/h2-11,13,15,31,34H,12,14H2,1H3/t27-/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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