Browse entries in the PDBbind-CN Database
HEADER 4Z6I_COMPLEX COMPND 4Z6I_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 113 SER THR PRO ILE GLN GLN LEU LEU GLU HIS PHE LEU ARG SEQRES 2 A 113 GLN LEU GLN ARG LYS ASP PRO HIS GLY PHE PHE ALA PHE SEQRES 3 A 113 PRO VAL THR ASP ALA ILE ALA PRO GLY TYR SER MET ILE SEQRES 4 A 113 ILE LYS HIS PRO MET ASP PHE GLY THR MET LYS ASP LYS SEQRES 5 A 113 ILE VAL ALA ASN GLU TYR LYS SER VAL THR GLU PHE LYS SEQRES 6 A 113 ALA ASP PHE LYS LEU MET CYS ASP ASN ALA MET THR TYR SEQRES 7 A 113 ASN ARG PRO ASP THR VAL TYR TYR LYS LEU ALA LYS LYS SEQRES 8 A 113 ILE LEU HIS ALA GLY PHE LYS MET MET SER LYS GLU ARG SEQRES 9 A 113 LEU LEU ALA LEU LYS ARG SER MET SER HET UNN A 181 65 ATOM 1 N SER A 22 67.412 4.712 11.027 1.00 42.78 N ATOM 2 CA SER A 22 67.920 5.657 10.004 1.00 43.32 C ATOM 3 C SER A 22 69.457 5.932 10.225 1.00 43.14 C ATOM 4 O SER A 22 70.157 6.415 9.358 1.00 44.63 O ATOM 5 CB SER A 22 67.092 6.883 10.081 1.00 44.67 C ATOM 6 OG SER A 22 67.512 7.805 9.133 1.00 49.82 O ATOM 7 HG SER A 22 68.459 8.041 9.301 1.00 0.00 H ATOM 8 HN3 SER A 22 67.551 5.120 11.973 1.00 0.00 H ATOM 9 HN2 SER A 22 67.931 3.814 10.956 1.00 0.00 H ATOM 10 HN1 SER A 22 66.399 4.542 10.867 1.00 0.00 H ATOM 11 N THR A 23 69.935 5.651 11.422 1.00 37.01 N ATOM 12 CA THR A 23 71.331 5.470 11.752 1.00 34.34 C ATOM 13 C THR A 23 71.502 4.053 12.337 1.00 32.29 C ATOM 14 O THR A 23 70.503 3.426 12.795 1.00 29.95 O ATOM 15 CB THR A 23 71.795 6.462 12.838 1.00 36.06 C ATOM 16 OG1 THR A 23 71.108 6.150 14.082 1.00 36.13 O ATOM 17 CG2 THR A 23 71.512 7.930 12.429 1.00 37.98 C ATOM 18 HG1 THR A 23 70.131 6.232 13.947 1.00 0.00 H ATOM 19 H THR A 23 69.248 5.551 12.196 1.00 0.00 H ATOM 20 N PRO A 24 72.764 3.556 12.380 1.00 31.74 N ATOM 21 CA PRO A 24 73.029 2.185 12.866 1.00 31.00 C ATOM 22 C PRO A 24 72.459 1.926 14.270 1.00 28.81 C ATOM 23 O PRO A 24 71.792 0.938 14.455 1.00 26.47 O ATOM 24 CB PRO A 24 74.534 2.087 12.833 1.00 32.10 C ATOM 25 CG PRO A 24 74.919 2.984 11.718 1.00 33.84 C ATOM 26 CD PRO A 24 73.938 4.117 11.684 1.00 33.92 C ATOM 27 N ILE A 25 72.704 2.828 15.221 1.00 28.61 N ATOM 28 CA ILE A 25 72.237 2.621 16.590 1.00 31.01 C ATOM 29 C ILE A 25 70.706 2.584 16.640 1.00 29.61 C ATOM 30 O ILE A 25 70.150 1.717 17.298 1.00 32.43 O ATOM 31 CB ILE A 25 72.882 3.666 17.584 1.00 33.05 C ATOM 32 CG1 ILE A 25 72.630 3.264 19.069 1.00 34.21 C ATOM 33 CG2 ILE A 25 72.371 5.078 17.312 1.00 33.21 C ATOM 34 CD1 ILE A 25 73.136 1.868 19.436 1.00 35.67 C ATOM 35 H ILE A 25 73.235 3.691 14.985 1.00 0.00 H ATOM 36 N GLN A 26 70.041 3.492 15.930 1.00 27.44 N ATOM 37 CA GLN A 26 68.587 3.488 15.835 1.00 27.58 C ATOM 38 C GLN A 26 68.039 2.180 15.317 1.00 27.96 C ATOM 39 O GLN A 26 67.043 1.700 15.830 1.00 24.10 O ATOM 40 CB GLN A 26 68.057 4.644 15.019 1.00 28.13 C ATOM 41 CG GLN A 26 68.152 6.011 15.737 1.00 28.85 C ATOM 42 CD GLN A 26 67.759 7.163 14.834 1.00 32.02 C ATOM 43 OE1 GLN A 26 68.409 7.389 13.811 1.00 34.61 O ATOM 44 NE2 GLN A 26 66.788 7.950 15.242 1.00 33.69 N ATOM 45 HE22 GLN A 26 66.265 7.722 16.111 1.00 0.00 H ATOM 46 HE21 GLN A 26 66.543 8.800 14.695 1.00 0.00 H ATOM 47 H GLN A 26 70.576 4.228 15.427 1.00 0.00 H ATOM 48 N GLN A 27 68.728 1.585 14.336 1.00 25.30 N ATOM 49 CA GLN A 27 68.285 0.359 13.735 1.00 27.26 C ATOM 50 C GLN A 27 68.475 -0.825 14.650 1.00 27.18 C ATOM 51 O GLN A 27 67.637 -1.733 14.711 1.00 23.88 O ATOM 52 CB GLN A 27 68.950 0.133 12.387 1.00 30.02 C ATOM 53 CG GLN A 27 68.492 1.214 11.373 1.00 34.21 C ATOM 54 CD GLN A 27 66.966 1.149 11.057 1.00 38.61 C ATOM 55 OE1 GLN A 27 66.193 2.139 11.229 1.00 42.26 O ATOM 56 NE2 GLN A 27 66.525 -0.019 10.696 1.00 37.43 N ATOM 57 HE22 GLN A 27 67.190 -0.808 10.565 1.00 0.00 H ATOM 58 HE21 GLN A 27 65.507 -0.165 10.539 1.00 0.00 H ATOM 59 H GLN A 27 69.609 2.023 14.000 1.00 0.00 H ATOM 60 N LEU A 28 69.563 -0.801 15.394 1.00 25.34 N ATOM 61 CA LEU A 28 69.802 -1.880 16.342 1.00 24.89 C ATOM 62 C LEU A 28 68.762 -1.808 17.493 1.00 24.37 C ATOM 63 O LEU A 28 68.278 -2.821 17.941 1.00 21.23 O ATOM 64 CB LEU A 28 71.178 -1.697 16.920 1.00 26.56 C ATOM 65 CG LEU A 28 71.535 -2.639 18.020 1.00 30.44 C ATOM 66 CD1 LEU A 28 71.301 -4.095 17.555 1.00 32.68 C ATOM 67 CD2 LEU A 28 72.945 -2.373 18.624 1.00 35.66 C ATOM 68 H LEU A 28 70.243 -0.020 15.305 1.00 0.00 H ATOM 69 N LEU A 29 68.548 -0.631 18.010 1.00 22.78 N ATOM 70 CA LEU A 29 67.586 -0.483 19.073 1.00 23.36 C ATOM 71 C LEU A 29 66.179 -0.741 18.628 1.00 22.53 C ATOM 72 O LEU A 29 65.408 -1.270 19.456 1.00 22.49 O ATOM 73 CB LEU A 29 67.690 0.858 19.704 1.00 23.47 C ATOM 74 CG LEU A 29 69.003 1.193 20.363 1.00 24.75 C ATOM 75 CD1 LEU A 29 68.836 2.521 21.009 1.00 26.00 C ATOM 76 CD2 LEU A 29 69.567 0.067 21.337 1.00 24.96 C ATOM 77 H LEU A 29 69.069 0.197 17.657 1.00 0.00 H ATOM 78 N GLU A 30 65.785 -0.357 17.387 1.00 22.42 N ATOM 79 CA GLU A 30 64.454 -0.706 16.858 1.00 23.44 C ATOM 80 C GLU A 30 64.323 -2.236 16.822 1.00 23.97 C ATOM 81 O GLU A 30 63.227 -2.787 17.012 1.00 21.51 O ATOM 82 CB GLU A 30 64.178 -0.070 15.472 1.00 26.27 C ATOM 83 CG GLU A 30 64.128 1.453 15.565 1.00 27.12 C ATOM 84 CD GLU A 30 63.192 2.088 14.614 1.00 31.06 C ATOM 85 OE1 GLU A 30 62.909 1.438 13.592 1.00 33.82 O ATOM 86 OE2 GLU A 30 62.748 3.260 14.873 1.00 35.21 O ATOM 87 H GLU A 30 66.437 0.196 16.796 1.00 0.00 H ATOM 88 N HIS A 31 65.432 -2.905 16.555 1.00 22.76 N ATOM 89 CA HIS A 31 65.431 -4.409 16.481 1.00 24.15 C ATOM 90 C HIS A 31 65.118 -5.009 17.828 1.00 23.60 C ATOM 91 O HIS A 31 64.229 -5.870 17.947 1.00 22.64 O ATOM 92 CB HIS A 31 66.753 -4.927 15.945 1.00 23.82 C ATOM 93 CG HIS A 31 66.965 -6.403 16.172 1.00 26.44 C ATOM 94 ND1 HIS A 31 66.297 -7.369 15.446 1.00 29.14 N ATOM 95 CD2 HIS A 31 67.760 -7.068 17.043 1.00 27.72 C ATOM 96 CE1 HIS A 31 66.655 -8.569 15.869 1.00 29.26 C ATOM 97 NE2 HIS A 31 67.554 -8.418 16.817 1.00 31.18 N ATOM 98 H HIS A 31 66.318 -2.385 16.394 1.00 0.00 H ATOM 99 N PHE A 32 65.909 -4.555 18.808 1.00 23.15 N ATOM 100 CA PHE A 32 65.728 -4.985 20.203 1.00 22.52 C ATOM 101 C PHE A 32 64.301 -4.668 20.638 1.00 23.54 C ATOM 102 O PHE A 32 63.686 -5.556 21.261 1.00 25.01 O ATOM 103 CB PHE A 32 66.734 -4.322 21.153 1.00 23.34 C ATOM 104 CG PHE A 32 68.148 -4.850 21.049 1.00 23.66 C ATOM 105 CD1 PHE A 32 68.421 -6.243 20.780 1.00 24.41 C ATOM 106 CD2 PHE A 32 69.227 -3.981 21.255 1.00 25.40 C ATOM 107 CE1 PHE A 32 69.736 -6.704 20.693 1.00 27.01 C ATOM 108 CE2 PHE A 32 70.543 -4.469 21.221 1.00 26.57 C ATOM 109 CZ PHE A 32 70.811 -5.837 20.960 1.00 24.50 C ATOM 110 H PHE A 32 66.669 -3.883 18.578 1.00 0.00 H ATOM 111 N LEU A 33 63.790 -3.480 20.335 1.00 22.13 N ATOM 112 CA LEU A 33 62.445 -3.124 20.822 1.00 25.31 C ATOM 113 C LEU A 33 61.432 -4.074 20.233 1.00 25.67 C ATOM 114 O LEU A 33 60.507 -4.528 20.953 1.00 23.25 O ATOM 115 CB LEU A 33 62.064 -1.715 20.442 1.00 26.03 C ATOM 116 CG LEU A 33 60.732 -1.135 20.987 1.00 29.08 C ATOM 117 CD1 LEU A 33 60.589 -1.278 22.455 1.00 29.60 C ATOM 118 CD2 LEU A 33 60.634 0.316 20.551 1.00 30.71 C ATOM 119 H LEU A 33 64.334 -2.807 19.759 1.00 0.00 H ATOM 120 N ARG A 34 61.570 -4.345 18.931 1.00 24.93 N ATOM 121 CA ARG A 34 60.632 -5.259 18.252 1.00 27.20 C ATOM 122 C ARG A 34 60.581 -6.562 18.922 1.00 23.78 C ATOM 123 O ARG A 34 59.476 -7.119 19.142 1.00 26.75 O ATOM 124 CB ARG A 34 60.924 -5.470 16.735 1.00 28.69 C ATOM 125 CG ARG A 34 60.400 -4.393 15.842 1.00 33.34 C ATOM 126 CD ARG A 34 60.532 -4.737 14.317 1.00 34.23 C ATOM 127 NE ARG A 34 61.911 -5.025 13.991 1.00 36.88 N ATOM 128 CZ ARG A 34 62.839 -4.159 13.588 1.00 39.45 C ATOM 129 NH1 ARG A 34 62.570 -2.865 13.388 1.00 41.67 N ATOM 130 NH2 ARG A 34 64.047 -4.606 13.319 1.00 43.00 N ATOM 131 HE ARG A 34 62.211 -6.017 14.081 1.00 0.00 H ATOM 132 HH12 ARG A 34 63.323 -2.220 13.073 1.00 0.00 H ATOM 133 HH11 ARG A 34 61.608 -2.503 13.547 1.00 0.00 H ATOM 134 HH22 ARG A 34 64.787 -3.947 13.003 1.00 0.00 H ATOM 135 HH21 ARG A 34 64.262 -5.618 13.423 1.00 0.00 H ATOM 136 H ARG A 34 62.345 -3.908 18.393 1.00 0.00 H ATOM 137 N GLN A 35 61.749 -7.093 19.273 1.00 24.09 N ATOM 138 CA GLN A 35 61.864 -8.406 19.859 1.00 24.78 C ATOM 139 C GLN A 35 61.230 -8.423 21.265 1.00 25.58 C ATOM 140 O GLN A 35 60.479 -9.356 21.589 1.00 26.30 O ATOM 141 CB GLN A 35 63.303 -8.906 19.923 1.00 25.55 C ATOM 142 CG GLN A 35 64.041 -8.999 18.556 1.00 27.74 C ATOM 143 CD GLN A 35 63.232 -9.484 17.354 1.00 33.51 C ATOM 144 OE1 GLN A 35 63.396 -8.978 16.190 1.00 41.49 O ATOM 145 NE2 GLN A 35 62.423 -10.498 17.566 1.00 34.40 N ATOM 146 HE22 GLN A 35 62.314 -10.884 18.525 1.00 0.00 H ATOM 147 HE21 GLN A 35 61.892 -10.914 16.774 1.00 0.00 H ATOM 148 H GLN A 35 62.615 -6.538 19.119 1.00 0.00 H ATOM 149 N LEU A 36 61.447 -7.382 22.027 1.00 23.90 N ATOM 150 CA LEU A 36 60.784 -7.256 23.365 1.00 25.61 C ATOM 151 C LEU A 36 59.269 -7.078 23.214 1.00 25.94 C ATOM 152 O LEU A 36 58.465 -7.752 23.867 1.00 24.02 O ATOM 153 CB LEU A 36 61.387 -6.055 24.090 1.00 25.39 C ATOM 154 CG LEU A 36 62.891 -6.107 24.406 1.00 26.41 C ATOM 155 CD1 LEU A 36 63.268 -4.778 25.045 1.00 27.59 C ATOM 156 CD2 LEU A 36 63.260 -7.226 25.326 1.00 29.53 C ATOM 157 H LEU A 36 62.088 -6.632 21.700 1.00 0.00 H ATOM 158 N GLN A 37 58.851 -6.188 22.333 1.00 26.54 N ATOM 159 CA GLN A 37 57.390 -6.037 22.120 1.00 27.43 C ATOM 160 C GLN A 37 56.661 -7.308 21.660 1.00 26.45 C ATOM 161 O GLN A 37 55.501 -7.450 22.035 1.00 26.49 O ATOM 162 CB GLN A 37 56.997 -4.936 21.136 1.00 29.41 C ATOM 163 CG GLN A 37 57.260 -3.608 21.651 1.00 30.47 C ATOM 164 CD GLN A 37 56.345 -2.481 21.183 1.00 31.95 C ATOM 165 OE1 GLN A 37 56.757 -1.765 20.273 1.00 31.87 O ATOM 166 NE2 GLN A 37 55.143 -2.278 21.805 1.00 32.48 N ATOM 167 HE22 GLN A 37 54.840 -2.913 22.571 1.00 0.00 H ATOM 168 HE21 GLN A 37 54.533 -1.489 21.512 1.00 0.00 H ATOM 169 H GLN A 37 59.529 -5.606 21.801 1.00 0.00 H ATOM 170 N ARG A 38 57.290 -8.200 20.884 1.00 27.25 N ATOM 171 CA ARG A 38 56.729 -9.509 20.546 1.00 29.55 C ATOM 172 C ARG A 38 56.378 -10.368 21.763 1.00 28.51 C ATOM 173 O ARG A 38 55.514 -11.195 21.678 1.00 25.09 O ATOM 174 CB ARG A 38 57.652 -10.291 19.623 1.00 34.12 C ATOM 175 CG ARG A 38 57.514 -9.671 18.233 1.00 40.26 C ATOM 176 CD ARG A 38 58.674 -9.878 17.295 1.00 43.95 C ATOM 177 NE ARG A 38 58.780 -11.249 16.850 1.00 52.07 N ATOM 178 CZ ARG A 38 59.516 -12.222 17.407 1.00 58.11 C ATOM 179 NH1 ARG A 38 59.560 -13.411 16.825 1.00 55.82 N ATOM 180 NH2 ARG A 38 60.197 -12.037 18.541 1.00 63.21 N ATOM 181 HE ARG A 38 58.227 -11.509 16.008 1.00 0.00 H ATOM 182 HH12 ARG A 38 60.127 -14.175 17.245 1.00 0.00 H ATOM 183 HH11 ARG A 38 59.028 -13.580 15.948 1.00 0.00 H ATOM 184 HH22 ARG A 38 60.757 -12.815 18.944 1.00 0.00 H ATOM 185 HH21 ARG A 38 60.167 -11.115 19.021 1.00 0.00 H ATOM 186 H ARG A 38 58.224 -7.950 20.502 1.00 0.00 H ATOM 187 N LYS A 39 56.995 -10.098 22.910 1.00 26.86 N ATOM 188 CA LYS A 39 56.696 -10.818 24.132 1.00 27.42 C ATOM 189 C LYS A 39 55.520 -10.226 24.883 1.00 25.45 C ATOM 190 O LYS A 39 55.106 -10.794 25.881 1.00 24.14 O ATOM 191 CB LYS A 39 57.947 -10.879 25.016 1.00 30.78 C ATOM 192 CG LYS A 39 59.171 -11.439 24.337 1.00 33.42 C ATOM 193 CD LYS A 39 60.413 -11.079 25.136 1.00 36.22 C ATOM 194 CE LYS A 39 61.713 -11.601 24.492 1.00 37.76 C ATOM 195 NZ LYS A 39 61.597 -13.071 24.297 1.00 44.89 N ATOM 196 HZ1 LYS A 39 61.451 -13.531 25.218 1.00 0.00 H ATOM 197 HZ2 LYS A 39 60.789 -13.274 23.674 1.00 0.00 H ATOM 198 HZ3 LYS A 39 62.470 -13.432 23.863 1.00 0.00 H ATOM 199 H LYS A 39 57.714 -9.347 22.931 1.00 0.00 H ATOM 200 N ASP A 40 54.886 -9.196 24.338 1.00 22.84 N ATOM 201 CA ASP A 40 53.730 -8.533 24.987 1.00 23.08 C ATOM 202 C ASP A 40 52.570 -8.487 23.973 1.00 22.66 C ATOM 203 O ASP A 40 52.207 -7.366 23.561 1.00 20.02 O ATOM 204 CB ASP A 40 54.148 -7.144 25.422 1.00 22.23 C ATOM 205 CG ASP A 40 53.031 -6.306 26.085 1.00 24.03 C ATOM 206 OD1 ASP A 40 52.076 -6.920 26.728 1.00 20.84 O ATOM 207 OD2 ASP A 40 53.196 -4.996 26.018 1.00 22.51 O ATOM 208 H ASP A 40 55.213 -8.839 23.418 1.00 0.00 H ATOM 209 N PRO A 41 51.960 -9.658 23.682 1.00 23.54 N ATOM 210 CA PRO A 41 50.881 -9.829 22.683 1.00 25.32 C ATOM 211 C PRO A 41 49.622 -9.066 23.040 1.00 25.38 C ATOM 212 O PRO A 41 48.895 -8.646 22.128 1.00 24.09 O ATOM 213 CB PRO A 41 50.704 -11.318 22.593 1.00 26.21 C ATOM 214 CG PRO A 41 51.324 -11.882 23.854 1.00 26.35 C ATOM 215 CD PRO A 41 52.348 -10.940 24.289 1.00 25.74 C ATOM 216 N HIS A 42 49.409 -8.805 24.332 1.00 23.39 N ATOM 217 CA HIS A 42 48.272 -8.046 24.821 1.00 22.48 C ATOM 218 C HIS A 42 48.520 -6.562 24.782 1.00 21.37 C ATOM 219 O HIS A 42 47.600 -5.752 25.012 1.00 22.34 O ATOM 220 CB HIS A 42 47.838 -8.425 26.248 1.00 22.60 C ATOM 221 CG HIS A 42 47.355 -9.816 26.393 1.00 23.87 C ATOM 222 ND1 HIS A 42 46.073 -10.197 26.088 1.00 26.83 N ATOM 223 CD2 HIS A 42 47.995 -10.949 26.767 1.00 26.27 C ATOM 224 CE1 HIS A 42 45.934 -11.495 26.270 1.00 27.54 C ATOM 225 NE2 HIS A 42 47.077 -11.972 26.684 1.00 27.96 N ATOM 226 H HIS A 42 50.095 -9.165 25.026 1.00 0.00 H ATOM 227 N GLY A 43 49.738 -6.139 24.541 1.00 20.57 N ATOM 228 CA GLY A 43 49.994 -4.684 24.519 1.00 21.63 C ATOM 229 C GLY A 43 49.930 -4.013 25.924 1.00 20.63 C ATOM 230 O GLY A 43 49.645 -2.834 26.023 1.00 20.03 O ATOM 231 H GLY A 43 50.509 -6.815 24.369 1.00 0.00 H ATOM 232 N PHE A 44 50.184 -4.778 26.990 1.00 19.93 N ATOM 233 CA PHE A 44 50.149 -4.239 28.403 1.00 21.05 C ATOM 234 C PHE A 44 51.076 -3.049 28.512 1.00 20.53 C ATOM 235 O PHE A 44 50.763 -2.094 29.183 1.00 20.73 O ATOM 236 CB PHE A 44 50.564 -5.245 29.451 1.00 22.07 C ATOM 237 CG PHE A 44 49.719 -6.492 29.575 1.00 22.40 C ATOM 238 CD1 PHE A 44 48.389 -6.532 29.257 1.00 25.21 C ATOM 239 CD2 PHE A 44 50.297 -7.632 30.068 1.00 24.91 C ATOM 240 CE1 PHE A 44 47.611 -7.699 29.464 1.00 24.93 C ATOM 241 CE2 PHE A 44 49.543 -8.847 30.255 1.00 25.65 C ATOM 242 CZ PHE A 44 48.196 -8.856 29.907 1.00 26.67 C ATOM 243 H PHE A 44 50.414 -5.781 26.843 1.00 0.00 H ATOM 244 N PHE A 45 52.232 -3.115 27.831 1.00 19.52 N ATOM 245 CA PHE A 45 53.229 -2.127 27.969 1.00 20.00 C ATOM 246 C PHE A 45 53.368 -1.179 26.749 1.00 20.51 C ATOM 247 O PHE A 45 54.389 -0.524 26.559 1.00 19.16 O ATOM 248 CB PHE A 45 54.548 -2.821 28.362 1.00 20.21 C ATOM 249 CG PHE A 45 54.412 -3.657 29.559 1.00 20.83 C ATOM 250 CD1 PHE A 45 53.998 -3.129 30.734 1.00 22.48 C ATOM 251 CD2 PHE A 45 54.733 -5.025 29.528 1.00 22.77 C ATOM 252 CE1 PHE A 45 53.850 -3.915 31.856 1.00 24.02 C ATOM 253 CE2 PHE A 45 54.639 -5.795 30.656 1.00 23.57 C ATOM 254 CZ PHE A 45 54.147 -5.264 31.800 1.00 25.67 C ATOM 255 H PHE A 45 52.396 -3.914 27.186 1.00 0.00 H ATOM 256 N ALA A 46 52.346 -1.131 25.888 1.00 22.94 N ATOM 257 CA ALA A 46 52.471 -0.342 24.596 1.00 23.20 C ATOM 258 C ALA A 46 52.444 1.196 24.726 1.00 23.50 C ATOM 259 O ALA A 46 53.065 1.909 23.894 1.00 22.59 O ATOM 260 CB ALA A 46 51.447 -0.807 23.583 1.00 22.88 C ATOM 261 H ALA A 46 51.463 -1.636 26.104 1.00 0.00 H ATOM 262 N PHE A 47 51.757 1.694 25.762 1.00 23.20 N ATOM 263 CA PHE A 47 51.518 3.112 26.009 1.00 23.30 C ATOM 264 C PHE A 47 51.604 3.441 27.498 1.00 23.09 C ATOM 265 O PHE A 47 51.412 2.529 28.349 1.00 22.28 O ATOM 266 CB PHE A 47 50.125 3.552 25.427 1.00 25.48 C ATOM 267 CG PHE A 47 50.136 3.596 23.926 1.00 24.05 C ATOM 268 CD1 PHE A 47 50.850 4.582 23.278 1.00 24.37 C ATOM 269 CD2 PHE A 47 49.549 2.583 23.181 1.00 23.42 C ATOM 270 CE1 PHE A 47 50.919 4.627 21.902 1.00 25.10 C ATOM 271 CE2 PHE A 47 49.591 2.633 21.793 1.00 24.51 C ATOM 272 CZ PHE A 47 50.268 3.663 21.160 1.00 25.11 C ATOM 273 H PHE A 47 51.362 1.016 26.445 1.00 0.00 H ATOM 274 N PRO A 48 51.894 4.714 27.804 1.00 24.56 N ATOM 275 CA PRO A 48 51.875 5.156 29.214 1.00 24.74 C ATOM 276 C PRO A 48 50.644 4.756 30.002 1.00 23.06 C ATOM 277 O PRO A 48 49.509 4.949 29.552 1.00 20.93 O ATOM 278 CB PRO A 48 52.070 6.727 29.139 1.00 26.52 C ATOM 279 CG PRO A 48 52.543 7.016 27.767 1.00 27.62 C ATOM 280 CD PRO A 48 52.073 5.872 26.883 1.00 25.94 C ATOM 281 N VAL A 49 50.888 4.214 31.206 1.00 21.96 N ATOM 282 CA VAL A 49 49.806 3.993 32.184 1.00 22.67 C ATOM 283 C VAL A 49 49.440 5.303 32.840 1.00 25.65 C ATOM 284 O VAL A 49 50.292 6.008 33.329 1.00 25.06 O ATOM 285 CB VAL A 49 50.246 2.986 33.260 1.00 22.02 C ATOM 286 CG1 VAL A 49 49.169 2.738 34.275 1.00 22.45 C ATOM 287 CG2 VAL A 49 50.722 1.694 32.549 1.00 23.58 C ATOM 288 H VAL A 49 51.861 3.944 31.454 1.00 0.00 H ATOM 289 N THR A 50 48.170 5.685 32.812 1.00 26.21 N ATOM 290 CA THR A 50 47.759 6.931 33.472 1.00 26.30 C ATOM 291 C THR A 50 46.866 6.580 34.674 1.00 23.86 C ATOM 292 O THR A 50 46.328 5.469 34.763 1.00 18.91 O ATOM 293 CB THR A 50 47.017 7.791 32.506 1.00 30.28 C ATOM 294 OG1 THR A 50 45.806 7.151 32.150 1.00 30.65 O ATOM 295 CG2 THR A 50 47.873 8.007 31.190 1.00 34.02 C ATOM 296 HG1 THR A 50 45.310 7.719 31.508 1.00 0.00 H ATOM 297 H THR A 50 47.463 5.101 32.321 1.00 0.00 H ATOM 298 N ASP A 51 46.669 7.544 35.565 1.00 23.49 N ATOM 299 CA ASP A 51 45.699 7.475 36.606 1.00 23.08 C ATOM 300 C ASP A 51 44.285 7.123 36.164 1.00 22.18 C ATOM 301 O ASP A 51 43.539 6.551 36.965 1.00 20.94 O ATOM 302 CB ASP A 51 45.690 8.765 37.441 1.00 25.64 C ATOM 303 CG ASP A 51 46.957 8.890 38.302 1.00 27.44 C ATOM 304 OD1 ASP A 51 47.751 7.947 38.415 1.00 31.50 O ATOM 305 OD2 ASP A 51 47.243 9.936 38.720 1.00 27.27 O ATOM 306 H ASP A 51 47.257 8.399 35.499 1.00 0.00 H ATOM 307 N ALA A 52 43.920 7.503 34.945 1.00 21.28 N ATOM 308 CA ALA A 52 42.558 7.181 34.407 1.00 22.73 C ATOM 309 C ALA A 52 42.383 5.647 34.212 1.00 23.02 C ATOM 310 O ALA A 52 41.264 5.126 34.284 1.00 22.74 O ATOM 311 CB ALA A 52 42.307 7.902 33.111 1.00 23.46 C ATOM 312 H ALA A 52 44.591 8.033 34.353 1.00 0.00 H ATOM 313 N ILE A 53 43.491 4.913 34.102 1.00 22.31 N ATOM 314 CA ILE A 53 43.354 3.476 34.040 1.00 23.47 C ATOM 315 C ILE A 53 43.872 2.802 35.301 1.00 22.65 C ATOM 316 O ILE A 53 43.523 1.654 35.511 1.00 21.37 O ATOM 317 CB ILE A 53 44.015 2.914 32.767 1.00 27.33 C ATOM 318 CG1 ILE A 53 43.381 1.573 32.375 1.00 30.68 C ATOM 319 CG2 ILE A 53 45.486 2.678 32.989 1.00 27.77 C ATOM 320 CD1 ILE A 53 41.909 1.777 31.951 1.00 33.69 C ATOM 321 H ILE A 53 44.428 5.363 34.062 1.00 0.00 H ATOM 322 N ALA A 54 44.786 3.428 36.050 1.00 20.62 N ATOM 323 CA ALA A 54 45.444 2.804 37.163 1.00 20.55 C ATOM 324 C ALA A 54 45.458 3.785 38.334 1.00 20.59 C ATOM 325 O ALA A 54 46.332 4.629 38.368 1.00 19.90 O ATOM 326 CB ALA A 54 46.889 2.403 36.795 1.00 20.29 C ATOM 327 H ALA A 54 45.031 4.411 35.816 1.00 0.00 H ATOM 328 N PRO A 55 44.464 3.705 39.237 1.00 21.82 N ATOM 329 CA PRO A 55 44.413 4.634 40.365 1.00 22.64 C ATOM 330 C PRO A 55 45.695 4.705 41.179 1.00 22.60 C ATOM 331 O PRO A 55 46.275 3.670 41.496 1.00 21.78 O ATOM 332 CB PRO A 55 43.207 4.181 41.123 1.00 23.41 C ATOM 333 CG PRO A 55 42.325 3.507 40.088 1.00 23.93 C ATOM 334 CD PRO A 55 43.247 2.873 39.136 1.00 22.74 C ATOM 335 N GLY A 56 46.155 5.946 41.464 1.00 23.62 N ATOM 336 CA GLY A 56 47.403 6.228 42.208 1.00 23.66 C ATOM 337 C GLY A 56 48.710 6.015 41.505 1.00 23.18 C ATOM 338 O GLY A 56 49.820 6.215 42.090 1.00 22.17 O ATOM 339 H GLY A 56 45.592 6.757 41.137 1.00 0.00 H ATOM 340 N TYR A 57 48.630 5.709 40.230 1.00 22.49 N ATOM 341 CA TYR A 57 49.855 5.374 39.463 1.00 22.05 C ATOM 342 C TYR A 57 50.886 6.544 39.479 1.00 23.12 C ATOM 343 O TYR A 57 52.042 6.350 39.793 1.00 22.63 O ATOM 344 CB TYR A 57 49.499 4.978 38.010 1.00 21.56 C ATOM 345 CG TYR A 57 50.671 4.318 37.351 1.00 20.94 C ATOM 346 CD1 TYR A 57 50.820 2.915 37.487 1.00 20.77 C ATOM 347 CD2 TYR A 57 51.580 5.044 36.546 1.00 21.00 C ATOM 348 CE1 TYR A 57 51.859 2.245 36.919 1.00 20.45 C ATOM 349 CE2 TYR A 57 52.653 4.382 35.979 1.00 21.47 C ATOM 350 CZ TYR A 57 52.773 2.995 36.138 1.00 21.21 C ATOM 351 OH TYR A 57 53.816 2.257 35.566 1.00 22.54 O ATOM 352 HH TYR A 57 53.710 1.301 35.802 1.00 0.00 H ATOM 353 H TYR A 57 47.704 5.702 39.756 1.00 0.00 H ATOM 354 N SER A 58 50.453 7.766 39.203 1.00 25.58 N ATOM 355 CA SER A 58 51.371 8.926 39.153 1.00 27.12 C ATOM 356 C SER A 58 51.923 9.281 40.535 1.00 29.41 C ATOM 357 O SER A 58 52.953 9.919 40.619 1.00 30.06 O ATOM 358 CB SER A 58 50.654 10.099 38.542 1.00 28.34 C ATOM 359 OG SER A 58 49.692 10.498 39.506 1.00 29.42 O ATOM 360 HG SER A 58 49.072 9.746 39.683 1.00 0.00 H ATOM 361 H SER A 58 49.441 7.914 39.016 1.00 0.00 H ATOM 362 N MET A 59 51.296 8.840 41.632 1.00 29.55 N ATOM 363 CA MET A 59 51.918 9.006 42.935 1.00 32.55 C ATOM 364 C MET A 59 52.931 7.917 43.271 1.00 32.24 C ATOM 365 O MET A 59 53.952 8.196 43.812 1.00 32.28 O ATOM 366 CB MET A 59 50.850 9.023 44.004 1.00 35.06 C ATOM 367 CG MET A 59 49.975 10.269 43.888 1.00 39.84 C ATOM 368 SD MET A 59 49.094 10.711 45.418 1.00 51.64 S ATOM 369 CE MET A 59 47.734 11.677 44.706 1.00 50.63 C ATOM 370 H MET A 59 50.367 8.380 41.552 1.00 0.00 H ATOM 371 N ILE A 60 52.599 6.672 42.956 1.00 27.59 N ATOM 372 CA ILE A 60 53.368 5.521 43.330 1.00 26.88 C ATOM 373 C ILE A 60 54.594 5.448 42.410 1.00 25.79 C ATOM 374 O ILE A 60 55.691 5.066 42.876 1.00 24.78 O ATOM 375 CB ILE A 60 52.465 4.224 43.230 1.00 26.84 C ATOM 376 CG1 ILE A 60 51.376 4.274 44.360 1.00 26.56 C ATOM 377 CG2 ILE A 60 53.330 2.988 43.220 1.00 26.87 C ATOM 378 CD1 ILE A 60 50.164 3.383 44.200 1.00 26.56 C ATOM 379 H ILE A 60 51.730 6.522 42.405 1.00 0.00 H ATOM 380 N ILE A 61 54.409 5.743 41.133 1.00 22.06 N ATOM 381 CA ILE A 61 55.475 5.603 40.083 1.00 22.50 C ATOM 382 C ILE A 61 55.958 6.968 39.624 1.00 23.69 C ATOM 383 O ILE A 61 55.237 7.692 38.927 1.00 26.43 O ATOM 384 CB ILE A 61 54.966 4.761 38.883 1.00 20.33 C ATOM 385 CG1 ILE A 61 54.481 3.381 39.394 1.00 20.05 C ATOM 386 CG2 ILE A 61 56.034 4.744 37.748 1.00 20.33 C ATOM 387 CD1 ILE A 61 55.514 2.466 40.028 1.00 21.26 C ATOM 388 H ILE A 61 53.474 6.091 40.840 1.00 0.00 H ATOM 389 N LYS A 62 57.137 7.364 40.076 1.00 25.60 N ATOM 390 CA LYS A 62 57.670 8.716 39.809 1.00 29.21 C ATOM 391 C LYS A 62 58.203 8.878 38.373 1.00 29.52 C ATOM 392 O LYS A 62 58.209 9.950 37.843 1.00 27.60 O ATOM 393 CB LYS A 62 58.811 9.033 40.794 1.00 31.47 C ATOM 394 CG LYS A 62 58.327 9.011 42.219 1.00 35.31 C ATOM 395 CD LYS A 62 57.441 10.186 42.469 1.00 38.58 C ATOM 396 CE LYS A 62 57.317 10.458 43.956 1.00 43.27 C ATOM 397 NZ LYS A 62 56.158 9.690 44.447 1.00 43.65 N ATOM 398 HZ1 LYS A 62 55.301 10.000 43.946 1.00 0.00 H ATOM 399 HZ2 LYS A 62 56.316 8.677 44.273 1.00 0.00 H ATOM 400 HZ3 LYS A 62 56.043 9.853 45.468 1.00 0.00 H ATOM 401 H LYS A 62 57.708 6.701 40.638 1.00 0.00 H ATOM 402 N HIS A 63 58.681 7.789 37.745 1.00 28.09 N ATOM 403 CA HIS A 63 59.272 7.853 36.386 1.00 28.67 C ATOM 404 C HIS A 63 58.666 6.747 35.505 1.00 28.23 C ATOM 405 O HIS A 63 59.337 5.729 35.270 1.00 26.04 O ATOM 406 CB HIS A 63 60.809 7.686 36.445 1.00 30.32 C ATOM 407 CG HIS A 63 61.466 8.818 37.168 1.00 34.24 C ATOM 408 ND1 HIS A 63 62.026 8.675 38.423 1.00 39.25 N ATOM 409 CD2 HIS A 63 61.432 10.136 36.929 1.00 34.34 C ATOM 410 CE1 HIS A 63 62.411 9.846 38.882 1.00 37.78 C ATOM 411 NE2 HIS A 63 62.052 10.753 37.993 1.00 38.62 N ATOM 412 H HIS A 63 58.635 6.870 38.229 1.00 0.00 H ATOM 413 N PRO A 64 57.441 6.992 34.964 1.00 26.72 N ATOM 414 CA PRO A 64 56.797 6.003 34.098 1.00 23.85 C ATOM 415 C PRO A 64 57.588 5.740 32.863 1.00 22.20 C ATOM 416 O PRO A 64 58.457 6.549 32.487 1.00 21.64 O ATOM 417 CB PRO A 64 55.420 6.628 33.762 1.00 24.68 C ATOM 418 CG PRO A 64 55.267 7.780 34.735 1.00 27.29 C ATOM 419 CD PRO A 64 56.628 8.236 35.073 1.00 27.79 C ATOM 420 N MET A 65 57.389 4.546 32.284 1.00 21.90 N ATOM 421 CA MET A 65 58.040 4.217 31.041 1.00 20.65 C ATOM 422 C MET A 65 57.184 3.194 30.347 1.00 20.58 C ATOM 423 O MET A 65 56.530 2.367 31.011 1.00 18.27 O ATOM 424 CB MET A 65 59.458 3.724 31.277 1.00 21.40 C ATOM 425 CG MET A 65 60.320 3.491 29.991 1.00 22.81 C ATOM 426 SD MET A 65 60.299 4.844 28.784 1.00 23.70 S ATOM 427 CE MET A 65 60.985 6.181 29.815 1.00 23.11 C ATOM 428 H MET A 65 56.760 3.852 32.736 1.00 0.00 H ATOM 429 N ASP A 66 57.207 3.239 29.013 1.00 19.48 N ATOM 430 CA ASP A 66 56.562 2.169 28.256 1.00 20.61 C ATOM 431 C ASP A 66 57.231 2.032 26.897 1.00 21.16 C ATOM 432 O ASP A 66 58.040 2.870 26.513 1.00 22.57 O ATOM 433 CB ASP A 66 55.080 2.610 28.142 1.00 21.80 C ATOM 434 CG ASP A 66 54.958 3.893 27.318 1.00 22.46 C ATOM 435 OD1 ASP A 66 55.220 5.019 27.827 1.00 26.14 O ATOM 436 OD2 ASP A 66 54.732 3.734 26.100 1.00 22.80 O ATOM 437 H ASP A 66 57.677 4.025 28.520 1.00 0.00 H ATOM 438 N PHE A 67 56.823 1.034 26.143 1.00 20.48 N ATOM 439 CA PHE A 67 57.414 0.757 24.833 1.00 21.57 C ATOM 440 C PHE A 67 57.161 1.848 23.806 1.00 22.06 C ATOM 441 O PHE A 67 57.979 2.099 22.889 1.00 23.38 O ATOM 442 CB PHE A 67 56.870 -0.575 24.242 1.00 21.04 C ATOM 443 CG PHE A 67 57.376 -1.859 24.858 1.00 23.15 C ATOM 444 CD1 PHE A 67 58.709 -2.087 25.125 1.00 23.65 C ATOM 445 CD2 PHE A 67 56.465 -2.966 25.065 1.00 23.70 C ATOM 446 CE1 PHE A 67 59.149 -3.312 25.590 1.00 24.90 C ATOM 447 CE2 PHE A 67 56.914 -4.194 25.584 1.00 25.13 C ATOM 448 CZ PHE A 67 58.273 -4.399 25.796 1.00 23.65 C ATOM 449 H PHE A 67 56.056 0.422 26.489 1.00 0.00 H ATOM 450 N GLY A 68 55.991 2.470 23.886 1.00 23.36 N ATOM 451 CA GLY A 68 55.658 3.551 22.953 1.00 24.97 C ATOM 452 C GLY A 68 56.598 4.692 23.166 1.00 25.20 C ATOM 453 O GLY A 68 57.095 5.269 22.197 1.00 24.94 O ATOM 454 H GLY A 68 55.306 2.189 24.616 1.00 0.00 H ATOM 455 N THR A 69 56.795 5.078 24.427 1.00 23.87 N ATOM 456 CA THR A 69 57.746 6.124 24.749 1.00 24.36 C ATOM 457 C THR A 69 59.186 5.741 24.315 1.00 24.30 C ATOM 458 O THR A 69 59.874 6.589 23.721 1.00 24.91 O ATOM 459 CB THR A 69 57.653 6.525 26.214 1.00 25.64 C ATOM 460 OG1 THR A 69 56.306 6.878 26.487 1.00 24.75 O ATOM 461 CG2 THR A 69 58.582 7.638 26.580 1.00 25.93 C ATOM 462 HG1 THR A 69 55.719 6.101 26.307 1.00 0.00 H ATOM 463 H THR A 69 56.258 4.622 25.192 1.00 0.00 H ATOM 464 N MET A 70 59.609 4.478 24.546 1.00 22.89 N ATOM 465 CA MET A 70 60.944 4.009 24.076 1.00 22.16 C ATOM 466 C MET A 70 61.045 4.100 22.547 1.00 22.71 C ATOM 467 O MET A 70 62.008 4.649 22.085 1.00 23.52 O ATOM 468 CB MET A 70 61.161 2.601 24.531 1.00 22.29 C ATOM 469 CG MET A 70 61.332 2.532 26.076 1.00 24.42 C ATOM 470 SD MET A 70 61.330 0.795 26.674 1.00 25.14 S ATOM 471 CE MET A 70 62.764 0.137 25.971 1.00 25.72 C ATOM 472 H MET A 70 58.991 3.820 25.062 1.00 0.00 H ATOM 473 N LYS A 71 60.027 3.628 21.808 1.00 23.77 N ATOM 474 CA LYS A 71 59.932 3.830 20.292 1.00 24.79 C ATOM 475 C LYS A 71 60.127 5.293 19.922 1.00 26.31 C ATOM 476 O LYS A 71 60.931 5.630 19.094 1.00 29.32 O ATOM 477 CB LYS A 71 58.666 3.234 19.682 1.00 21.99 C ATOM 478 CG LYS A 71 58.503 3.484 18.163 1.00 22.73 C ATOM 479 CD LYS A 71 59.587 2.879 17.319 1.00 21.84 C ATOM 480 CE LYS A 71 59.424 3.262 15.854 1.00 21.85 C ATOM 481 NZ LYS A 71 58.382 2.370 15.382 1.00 22.03 N ATOM 482 HZ1 LYS A 71 58.691 1.384 15.501 1.00 0.00 H ATOM 483 HZ2 LYS A 71 57.514 2.531 15.932 1.00 0.00 H ATOM 484 HZ3 LYS A 71 58.196 2.557 14.376 1.00 0.00 H ATOM 485 H LYS A 71 59.269 3.101 22.287 1.00 0.00 H ATOM 486 N ASP A 72 59.411 6.196 20.568 1.00 30.12 N ATOM 487 CA ASP A 72 59.610 7.649 20.344 1.00 30.61 C ATOM 488 C ASP A 72 61.023 8.174 20.563 1.00 30.60 C ATOM 489 O ASP A 72 61.564 8.909 19.735 1.00 30.89 O ATOM 490 CB ASP A 72 58.614 8.468 21.197 1.00 31.12 C ATOM 491 CG ASP A 72 57.147 8.277 20.737 1.00 33.25 C ATOM 492 OD1 ASP A 72 56.888 7.676 19.684 1.00 36.25 O ATOM 493 OD2 ASP A 72 56.210 8.662 21.451 1.00 33.39 O ATOM 494 H ASP A 72 58.691 5.881 21.249 1.00 0.00 H ATOM 495 N LYS A 73 61.637 7.764 21.658 1.00 29.77 N ATOM 496 CA LYS A 73 63.019 8.118 21.934 1.00 30.59 C ATOM 497 C LYS A 73 64.024 7.572 20.945 1.00 31.03 C ATOM 498 O LYS A 73 65.035 8.219 20.674 1.00 33.20 O ATOM 499 CB LYS A 73 63.402 7.688 23.337 1.00 30.25 C ATOM 500 CG LYS A 73 62.677 8.523 24.400 1.00 31.49 C ATOM 501 CD LYS A 73 62.897 7.930 25.785 1.00 33.13 C ATOM 502 CE LYS A 73 64.300 8.201 26.248 1.00 35.37 C ATOM 503 NZ LYS A 73 64.354 7.872 27.704 1.00 35.54 N ATOM 504 HZ1 LYS A 73 63.676 8.469 28.219 1.00 0.00 H ATOM 505 HZ2 LYS A 73 64.109 6.871 27.841 1.00 0.00 H ATOM 506 HZ3 LYS A 73 65.314 8.048 28.062 1.00 0.00 H ATOM 507 H LYS A 73 61.119 7.173 22.339 1.00 0.00 H ATOM 508 N ILE A 74 63.776 6.367 20.432 1.00 29.90 N ATOM 509 CA ILE A 74 64.630 5.817 19.341 1.00 30.87 C ATOM 510 C ILE A 74 64.494 6.671 18.089 1.00 32.67 C ATOM 511 O ILE A 74 65.472 7.136 17.558 1.00 30.18 O ATOM 512 CB ILE A 74 64.321 4.366 18.951 1.00 29.10 C ATOM 513 CG1 ILE A 74 64.504 3.457 20.179 1.00 26.78 C ATOM 514 CG2 ILE A 74 65.273 3.917 17.805 1.00 29.22 C ATOM 515 CD1 ILE A 74 64.081 2.034 19.871 1.00 25.37 C ATOM 516 H ILE A 74 62.980 5.806 20.796 1.00 0.00 H ATOM 517 N VAL A 75 63.258 6.899 17.691 1.00 33.87 N ATOM 518 CA VAL A 75 62.895 7.756 16.577 1.00 35.89 C ATOM 519 C VAL A 75 63.550 9.153 16.707 1.00 37.32 C ATOM 520 O VAL A 75 64.157 9.635 15.761 1.00 40.27 O ATOM 521 CB VAL A 75 61.348 7.862 16.462 1.00 36.16 C ATOM 522 CG1 VAL A 75 60.963 9.067 15.625 1.00 41.24 C ATOM 523 CG2 VAL A 75 60.729 6.584 15.894 1.00 36.07 C ATOM 524 H VAL A 75 62.489 6.432 18.212 1.00 0.00 H ATOM 525 N ALA A 76 63.527 9.727 17.899 1.00 37.58 N ATOM 526 CA ALA A 76 64.148 10.986 18.149 1.00 38.11 C ATOM 527 C ALA A 76 65.634 10.885 18.365 1.00 39.41 C ATOM 528 O ALA A 76 66.242 11.900 18.680 1.00 41.00 O ATOM 529 CB ALA A 76 63.496 11.670 19.328 1.00 39.34 C ATOM 530 H ALA A 76 63.039 9.243 18.680 1.00 0.00 H ATOM 531 N ASN A 77 66.226 9.691 18.222 1.00 38.05 N ATOM 532 CA ASN A 77 67.657 9.455 18.441 1.00 39.87 C ATOM 533 C ASN A 77 68.107 10.014 19.755 1.00 40.87 C ATOM 534 O ASN A 77 69.126 10.686 19.833 1.00 41.90 O ATOM 535 CB ASN A 77 68.479 10.059 17.253 1.00 42.82 C ATOM 536 CG ASN A 77 69.813 9.359 17.027 1.00 43.95 C ATOM 537 OD1 ASN A 77 70.137 8.266 17.539 1.00 40.30 O ATOM 538 ND2 ASN A 77 70.621 10.010 16.251 1.00 48.86 N ATOM 539 HD22 ASN A 77 70.327 10.918 15.838 1.00 0.00 H ATOM 540 HD21 ASN A 77 71.564 9.625 16.041 1.00 0.00 H ATOM 541 H ASN A 77 65.635 8.883 17.939 1.00 0.00 H ATOM 542 N GLU A 78 67.322 9.732 20.799 1.00 41.85 N ATOM 543 CA GLU A 78 67.643 10.189 22.151 1.00 40.02 C ATOM 544 C GLU A 78 68.464 9.232 22.975 1.00 37.88 C ATOM 545 O GLU A 78 68.830 9.567 24.095 1.00 39.01 O ATOM 546 CB GLU A 78 66.385 10.512 22.899 1.00 42.56 C ATOM 547 CG GLU A 78 65.579 11.668 22.319 1.00 48.01 C ATOM 548 CD GLU A 78 64.347 11.907 23.165 1.00 51.64 C ATOM 549 OE1 GLU A 78 64.502 11.825 24.391 1.00 59.39 O ATOM 550 OE2 GLU A 78 63.220 12.088 22.670 1.00 54.66 O ATOM 551 H GLU A 78 66.459 9.172 20.646 1.00 0.00 H ATOM 552 N TYR A 79 68.716 8.021 22.489 1.00 35.48 N ATOM 553 CA TYR A 79 69.501 7.065 23.276 1.00 34.73 C ATOM 554 C TYR A 79 70.882 7.165 22.737 1.00 37.92 C ATOM 555 O TYR A 79 71.089 6.903 21.563 1.00 35.55 O ATOM 556 CB TYR A 79 69.021 5.630 23.086 1.00 32.73 C ATOM 557 CG TYR A 79 67.720 5.333 23.752 1.00 30.31 C ATOM 558 CD1 TYR A 79 67.592 5.441 25.099 1.00 29.17 C ATOM 559 CD2 TYR A 79 66.573 5.025 22.996 1.00 30.08 C ATOM 560 CE1 TYR A 79 66.387 5.195 25.738 1.00 27.50 C ATOM 561 CE2 TYR A 79 65.377 4.740 23.637 1.00 28.41 C ATOM 562 CZ TYR A 79 65.307 4.810 25.016 1.00 27.76 C ATOM 563 OH TYR A 79 64.097 4.599 25.631 1.00 27.49 O ATOM 564 HH TYR A 79 64.208 4.682 26.611 1.00 0.00 H ATOM 565 H TYR A 79 68.357 7.752 21.551 1.00 0.00 H ATOM 566 N LYS A 80 71.834 7.513 23.586 1.00 38.88 N ATOM 567 CA LYS A 80 73.238 7.551 23.165 1.00 42.61 C ATOM 568 C LYS A 80 73.782 6.128 23.058 1.00 39.06 C ATOM 569 O LYS A 80 74.710 5.845 22.292 1.00 34.78 O ATOM 570 CB LYS A 80 74.086 8.359 24.185 1.00 45.29 C ATOM 571 CG LYS A 80 73.944 9.859 23.990 1.00 51.89 C ATOM 572 CD LYS A 80 72.587 10.396 24.432 1.00 58.70 C ATOM 573 CE LYS A 80 72.499 11.898 24.263 1.00 62.51 C ATOM 574 NZ LYS A 80 73.424 12.692 25.120 1.00 64.01 N ATOM 575 HZ1 LYS A 80 73.222 12.495 26.121 1.00 0.00 H ATOM 576 HZ2 LYS A 80 74.407 12.428 24.905 1.00 0.00 H ATOM 577 HZ3 LYS A 80 73.287 13.705 24.930 1.00 0.00 H ATOM 578 H LYS A 80 71.584 7.763 24.564 1.00 0.00 H ATOM 579 N SER A 81 73.246 5.224 23.870 1.00 36.77 N ATOM 580 CA SER A 81 73.802 3.885 23.990 1.00 33.96 C ATOM 581 C SER A 81 72.779 2.822 24.282 1.00 34.39 C ATOM 582 O SER A 81 71.615 3.089 24.712 1.00 32.44 O ATOM 583 CB SER A 81 74.854 3.843 25.131 1.00 35.99 C ATOM 584 OG SER A 81 74.229 3.903 26.396 1.00 33.11 O ATOM 585 HG SER A 81 74.919 3.875 27.105 1.00 0.00 H ATOM 586 H SER A 81 72.410 5.479 24.433 1.00 0.00 H ATOM 587 N VAL A 82 73.247 1.604 24.128 1.00 32.86 N ATOM 588 CA VAL A 82 72.444 0.408 24.481 1.00 34.82 C ATOM 589 C VAL A 82 72.212 0.371 25.996 1.00 33.45 C ATOM 590 O VAL A 82 71.121 -0.053 26.452 1.00 28.96 O ATOM 591 CB VAL A 82 73.032 -0.925 23.961 1.00 35.37 C ATOM 592 CG1 VAL A 82 72.144 -2.106 24.345 1.00 36.29 C ATOM 593 CG2 VAL A 82 73.076 -0.896 22.458 1.00 36.41 C ATOM 594 H VAL A 82 74.207 1.475 23.748 1.00 0.00 H ATOM 595 N THR A 83 73.184 0.848 26.781 1.00 32.39 N ATOM 596 CA THR A 83 73.000 0.970 28.241 1.00 32.81 C ATOM 597 C THR A 83 71.782 1.805 28.603 1.00 30.84 C ATOM 598 O THR A 83 71.076 1.425 29.487 1.00 31.59 O ATOM 599 CB THR A 83 74.313 1.447 28.963 1.00 34.81 C ATOM 600 OG1 THR A 83 75.291 0.469 28.623 1.00 34.47 O ATOM 601 CG2 THR A 83 74.186 1.401 30.507 1.00 35.98 C ATOM 602 HG1 THR A 83 76.154 0.706 29.047 1.00 0.00 H ATOM 603 H THR A 83 74.087 1.139 26.355 1.00 0.00 H ATOM 604 N GLU A 84 71.575 2.931 27.930 1.00 29.44 N ATOM 605 CA GLU A 84 70.502 3.841 28.244 1.00 29.41 C ATOM 606 C GLU A 84 69.150 3.199 27.902 1.00 28.43 C ATOM 607 O GLU A 84 68.167 3.373 28.614 1.00 27.31 O ATOM 608 CB GLU A 84 70.657 5.136 27.469 1.00 31.45 C ATOM 609 CG GLU A 84 71.906 5.968 27.839 1.00 35.11 C ATOM 610 CD GLU A 84 71.876 7.379 27.231 1.00 36.37 C ATOM 611 OE1 GLU A 84 71.220 7.574 26.232 1.00 35.84 O ATOM 612 OE2 GLU A 84 72.470 8.318 27.770 1.00 43.94 O ATOM 613 H GLU A 84 72.214 3.166 27.144 1.00 0.00 H ATOM 614 N PHE A 85 69.130 2.457 26.814 1.00 25.19 N ATOM 615 CA PHE A 85 67.936 1.780 26.349 1.00 24.14 C ATOM 616 C PHE A 85 67.543 0.671 27.302 1.00 22.89 C ATOM 617 O PHE A 85 66.360 0.580 27.707 1.00 20.49 O ATOM 618 CB PHE A 85 68.151 1.308 24.900 1.00 24.63 C ATOM 619 CG PHE A 85 67.056 0.410 24.371 1.00 22.63 C ATOM 620 CD1 PHE A 85 65.971 0.957 23.701 1.00 22.83 C ATOM 621 CD2 PHE A 85 67.122 -0.973 24.513 1.00 21.41 C ATOM 622 CE1 PHE A 85 64.964 0.130 23.184 1.00 22.34 C ATOM 623 CE2 PHE A 85 66.125 -1.773 24.022 1.00 21.04 C ATOM 624 CZ PHE A 85 65.088 -1.256 23.325 1.00 21.33 C ATOM 625 H PHE A 85 70.008 2.353 26.266 1.00 0.00 H ATOM 626 N LYS A 86 68.524 -0.138 27.725 1.00 22.60 N ATOM 627 CA LYS A 86 68.335 -1.126 28.744 1.00 24.95 C ATOM 628 C LYS A 86 67.822 -0.526 30.058 1.00 23.34 C ATOM 629 O LYS A 86 67.048 -1.152 30.729 1.00 21.75 O ATOM 630 CB LYS A 86 69.606 -1.918 29.014 1.00 26.94 C ATOM 631 CG LYS A 86 69.889 -2.921 27.909 1.00 27.40 C ATOM 632 CD LYS A 86 71.300 -3.452 27.938 1.00 30.31 C ATOM 633 CE LYS A 86 71.586 -4.385 29.092 1.00 33.18 C ATOM 634 NZ LYS A 86 73.032 -4.706 29.038 1.00 36.14 N ATOM 635 HZ1 LYS A 86 73.250 -5.164 28.130 1.00 0.00 H ATOM 636 HZ2 LYS A 86 73.584 -3.829 29.127 1.00 0.00 H ATOM 637 HZ3 LYS A 86 73.272 -5.349 29.819 1.00 0.00 H ATOM 638 H LYS A 86 69.466 -0.044 27.293 1.00 0.00 H ATOM 639 N ALA A 87 68.291 0.660 30.428 1.00 24.41 N ATOM 640 CA ALA A 87 67.831 1.316 31.635 1.00 23.72 C ATOM 641 C ALA A 87 66.326 1.636 31.596 1.00 24.19 C ATOM 642 O ALA A 87 65.602 1.345 32.585 1.00 20.84 O ATOM 643 CB ALA A 87 68.670 2.521 31.949 1.00 25.35 C ATOM 644 H ALA A 87 69.006 1.130 29.837 1.00 0.00 H ATOM 645 N ASP A 88 65.890 2.202 30.465 1.00 22.14 N ATOM 646 CA ASP A 88 64.476 2.439 30.208 1.00 23.11 C ATOM 647 C ASP A 88 63.667 1.178 30.208 1.00 19.97 C ATOM 648 O ASP A 88 62.556 1.173 30.824 1.00 19.70 O ATOM 649 CB ASP A 88 64.194 3.189 28.884 1.00 23.35 C ATOM 650 CG ASP A 88 64.311 4.697 29.023 1.00 27.47 C ATOM 651 OD1 ASP A 88 64.445 5.181 30.176 1.00 27.11 O ATOM 652 OD2 ASP A 88 64.202 5.380 27.979 1.00 25.64 O ATOM 653 H ASP A 88 66.585 2.483 29.744 1.00 0.00 H ATOM 654 N PHE A 89 64.139 0.117 29.539 1.00 18.37 N ATOM 655 CA PHE A 89 63.434 -1.181 29.641 1.00 19.15 C ATOM 656 C PHE A 89 63.303 -1.720 31.065 1.00 19.65 C ATOM 657 O PHE A 89 62.192 -2.148 31.489 1.00 18.24 O ATOM 658 CB PHE A 89 64.095 -2.200 28.740 1.00 21.08 C ATOM 659 CG PHE A 89 63.448 -3.541 28.780 1.00 21.37 C ATOM 660 CD1 PHE A 89 62.135 -3.676 28.373 1.00 22.56 C ATOM 661 CD2 PHE A 89 64.140 -4.634 29.153 1.00 22.09 C ATOM 662 CE1 PHE A 89 61.509 -4.891 28.415 1.00 22.84 C ATOM 663 CE2 PHE A 89 63.535 -5.875 29.138 1.00 22.55 C ATOM 664 CZ PHE A 89 62.243 -5.994 28.786 1.00 23.68 C ATOM 665 H PHE A 89 64.994 0.205 28.953 1.00 0.00 H ATOM 666 N LYS A 90 64.393 -1.642 31.836 1.00 20.30 N ATOM 667 CA LYS A 90 64.358 -2.172 33.177 1.00 20.96 C ATOM 668 C LYS A 90 63.447 -1.266 34.031 1.00 21.35 C ATOM 669 O LYS A 90 62.728 -1.769 34.822 1.00 20.61 O ATOM 670 CB LYS A 90 65.748 -2.195 33.793 1.00 22.00 C ATOM 671 CG LYS A 90 65.777 -2.615 35.242 1.00 24.90 C ATOM 672 CD LYS A 90 67.244 -2.822 35.570 1.00 29.16 C ATOM 673 CE LYS A 90 67.497 -3.352 36.947 1.00 31.09 C ATOM 674 NZ LYS A 90 66.831 -2.602 37.973 1.00 28.83 N ATOM 675 HZ1 LYS A 90 67.161 -1.616 37.950 1.00 0.00 H ATOM 676 HZ2 LYS A 90 65.804 -2.629 37.809 1.00 0.00 H ATOM 677 HZ3 LYS A 90 67.046 -3.019 38.901 1.00 0.00 H ATOM 678 H LYS A 90 65.261 -1.201 31.471 1.00 0.00 H ATOM 679 N LEU A 91 63.474 0.053 33.829 1.00 20.89 N ATOM 680 CA LEU A 91 62.522 0.951 34.543 1.00 21.80 C ATOM 681 C LEU A 91 61.055 0.597 34.319 1.00 20.13 C ATOM 682 O LEU A 91 60.235 0.567 35.261 1.00 19.84 O ATOM 683 CB LEU A 91 62.700 2.402 34.075 1.00 21.94 C ATOM 684 CG LEU A 91 61.814 3.502 34.646 1.00 20.94 C ATOM 685 CD1 LEU A 91 61.958 3.566 36.149 1.00 22.61 C ATOM 686 CD2 LEU A 91 62.214 4.811 33.938 1.00 21.95 C ATOM 687 H LEU A 91 64.166 0.458 33.167 1.00 0.00 H ATOM 688 N MET A 92 60.703 0.374 33.072 1.00 18.65 N ATOM 689 CA MET A 92 59.349 -0.104 32.719 1.00 19.23 C ATOM 690 C MET A 92 58.934 -1.349 33.511 1.00 19.35 C ATOM 691 O MET A 92 57.821 -1.369 34.054 1.00 18.83 O ATOM 692 CB MET A 92 59.249 -0.408 31.212 1.00 21.06 C ATOM 693 CG MET A 92 57.832 -0.736 30.770 1.00 24.13 C ATOM 694 SD MET A 92 57.899 -1.162 28.978 1.00 26.51 S ATOM 695 CE MET A 92 58.045 -2.918 29.327 1.00 25.58 C ATOM 696 H MET A 92 61.395 0.538 32.314 1.00 0.00 H ATOM 697 N CYS A 93 59.785 -2.376 33.525 1.00 18.12 N ATOM 698 CA CYS A 93 59.501 -3.630 34.186 1.00 18.56 C ATOM 699 C CYS A 93 59.455 -3.444 35.702 1.00 18.77 C ATOM 700 O CYS A 93 58.543 -3.954 36.328 1.00 18.72 O ATOM 701 CB CYS A 93 60.469 -4.710 33.785 1.00 20.02 C ATOM 702 SG CYS A 93 60.505 -5.096 32.013 1.00 20.43 S ATOM 703 H CYS A 93 60.697 -2.270 33.037 1.00 0.00 H ATOM 704 N ASP A 94 60.361 -2.650 36.255 1.00 18.84 N ATOM 705 CA ASP A 94 60.414 -2.384 37.693 1.00 20.58 C ATOM 706 C ASP A 94 59.160 -1.652 38.137 1.00 19.80 C ATOM 707 O ASP A 94 58.580 -1.973 39.178 1.00 20.50 O ATOM 708 CB ASP A 94 61.664 -1.625 38.057 1.00 22.73 C ATOM 709 CG ASP A 94 62.951 -2.467 38.035 1.00 25.04 C ATOM 710 OD1 ASP A 94 62.989 -3.748 38.039 1.00 27.31 O ATOM 711 OD2 ASP A 94 64.008 -1.790 38.109 1.00 25.66 O ATOM 712 H ASP A 94 61.066 -2.196 35.639 1.00 0.00 H ATOM 713 N ASN A 95 58.709 -0.690 37.372 1.00 19.39 N ATOM 714 CA ASN A 95 57.490 0.048 37.723 1.00 19.84 C ATOM 715 C ASN A 95 56.335 -0.926 37.741 1.00 19.42 C ATOM 716 O ASN A 95 55.480 -0.824 38.586 1.00 19.24 O ATOM 717 CB ASN A 95 57.151 1.141 36.686 1.00 19.94 C ATOM 718 CG ASN A 95 58.121 2.277 36.687 1.00 20.87 C ATOM 719 OD1 ASN A 95 58.884 2.532 37.680 1.00 19.58 O ATOM 720 ND2 ASN A 95 58.116 3.003 35.559 1.00 20.12 N ATOM 721 HD22 ASN A 95 57.474 2.751 34.781 1.00 0.00 H ATOM 722 HD21 ASN A 95 58.755 3.818 35.462 1.00 0.00 H ATOM 723 H ASN A 95 59.223 -0.445 36.502 1.00 0.00 H ATOM 724 N ALA A 96 56.271 -1.854 36.767 1.00 18.78 N ATOM 725 CA ALA A 96 55.111 -2.780 36.706 1.00 17.85 C ATOM 726 C ALA A 96 55.103 -3.671 37.949 1.00 18.47 C ATOM 727 O ALA A 96 54.025 -3.996 38.482 1.00 17.93 O ATOM 728 CB ALA A 96 55.191 -3.682 35.434 1.00 18.57 C ATOM 729 H ALA A 96 57.031 -1.922 36.060 1.00 0.00 H ATOM 730 N MET A 97 56.277 -3.990 38.428 1.00 19.38 N ATOM 731 CA MET A 97 56.496 -4.870 39.605 1.00 21.58 C ATOM 732 C MET A 97 56.383 -4.168 40.946 1.00 22.53 C ATOM 733 O MET A 97 56.122 -4.780 41.951 1.00 25.48 O ATOM 734 CB MET A 97 57.831 -5.553 39.468 1.00 23.52 C ATOM 735 CG MET A 97 57.795 -6.646 38.478 1.00 25.70 C ATOM 736 SD MET A 97 59.325 -7.587 38.328 1.00 28.58 S ATOM 737 CE MET A 97 60.466 -6.573 37.498 1.00 28.17 C ATOM 738 H MET A 97 57.116 -3.601 37.952 1.00 0.00 H ATOM 739 N THR A 98 56.399 -2.857 40.909 1.00 25.15 N ATOM 740 CA THR A 98 56.091 -1.991 42.032 1.00 24.56 C ATOM 741 C THR A 98 54.650 -1.682 42.187 1.00 24.15 C ATOM 742 O THR A 98 54.118 -1.757 43.288 1.00 22.09 O ATOM 743 CB THR A 98 56.960 -0.708 41.873 1.00 25.90 C ATOM 744 OG1 THR A 98 58.328 -1.131 41.838 1.00 25.05 O ATOM 745 CG2 THR A 98 56.814 0.247 43.026 1.00 27.06 C ATOM 746 HG1 THR A 98 58.463 -1.743 41.072 1.00 0.00 H ATOM 747 H THR A 98 56.651 -2.404 40.007 1.00 0.00 H ATOM 748 N TYR A 99 53.981 -1.352 41.110 1.00 20.51 N ATOM 749 CA TYR A 99 52.605 -0.883 41.213 1.00 21.92 C ATOM 750 C TYR A 99 51.623 -2.063 41.334 1.00 20.69 C ATOM 751 O TYR A 99 50.600 -2.027 42.062 1.00 20.46 O ATOM 752 CB TYR A 99 52.253 0.088 40.005 1.00 19.59 C ATOM 753 CG TYR A 99 50.756 0.475 39.982 1.00 19.53 C ATOM 754 CD1 TYR A 99 50.289 1.533 40.723 1.00 20.75 C ATOM 755 CD2 TYR A 99 49.817 -0.287 39.301 1.00 19.14 C ATOM 756 CE1 TYR A 99 48.979 1.873 40.745 1.00 20.30 C ATOM 757 CE2 TYR A 99 48.472 0.029 39.362 1.00 19.67 C ATOM 758 CZ TYR A 99 48.065 1.133 40.081 1.00 19.79 C ATOM 759 OH TYR A 99 46.719 1.492 40.165 1.00 20.32 O ATOM 760 HH TYR A 99 46.630 2.306 40.721 1.00 0.00 H ATOM 761 H TYR A 99 54.434 -1.425 40.177 1.00 0.00 H ATOM 762 N ASN A 100 51.926 -3.137 40.643 1.00 20.74 N ATOM 763 CA ASN A 100 51.005 -4.266 40.582 1.00 21.85 C ATOM 764 C ASN A 100 51.393 -5.366 41.546 1.00 23.58 C ATOM 765 O ASN A 100 52.567 -5.666 41.710 1.00 24.50 O ATOM 766 CB ASN A 100 50.982 -4.843 39.155 1.00 20.21 C ATOM 767 CG ASN A 100 50.564 -3.815 38.117 1.00 18.63 C ATOM 768 OD1 ASN A 100 49.362 -3.512 37.985 1.00 18.95 O ATOM 769 ND2 ASN A 100 51.530 -3.250 37.393 1.00 18.41 N ATOM 770 HD22 ASN A 100 52.520 -3.533 37.536 1.00 0.00 H ATOM 771 HD21 ASN A 100 51.293 -2.526 36.685 1.00 0.00 H ATOM 772 H ASN A 100 52.832 -3.183 40.134 1.00 0.00 H ATOM 773 N ARG A 101 50.381 -6.041 42.057 1.00 26.17 N ATOM 774 CA ARG A 101 50.623 -7.196 42.902 1.00 31.53 C ATOM 775 C ARG A 101 51.180 -8.417 42.153 1.00 29.73 C ATOM 776 O ARG A 101 50.922 -8.619 40.954 1.00 25.83 O ATOM 777 CB ARG A 101 49.352 -7.612 43.672 1.00 34.72 C ATOM 778 CG ARG A 101 48.732 -6.537 44.505 1.00 41.41 C ATOM 779 CD ARG A 101 49.818 -5.802 45.290 1.00 50.19 C ATOM 780 NE ARG A 101 49.218 -4.891 46.259 1.00 61.21 N ATOM 781 CZ ARG A 101 48.645 -5.260 47.403 1.00 69.89 C ATOM 782 NH1 ARG A 101 48.578 -6.553 47.760 1.00 74.00 N ATOM 783 NH2 ARG A 101 48.122 -4.327 48.208 1.00 72.37 N ATOM 784 HE ARG A 101 49.240 -3.875 46.039 1.00 0.00 H ATOM 785 HH12 ARG A 101 48.127 -6.822 48.657 1.00 0.00 H ATOM 786 HH11 ARG A 101 48.978 -7.285 47.139 1.00 0.00 H ATOM 787 HH22 ARG A 101 47.672 -4.606 49.103 1.00 0.00 H ATOM 788 HH21 ARG A 101 48.165 -3.324 47.938 1.00 0.00 H ATOM 789 H ARG A 101 49.405 -5.744 41.853 1.00 0.00 H ATOM 790 N PRO A 102 51.928 -9.259 42.886 1.00 29.36 N ATOM 791 CA PRO A 102 52.562 -10.413 42.266 1.00 29.73 C ATOM 792 C PRO A 102 51.653 -11.439 41.522 1.00 29.51 C ATOM 793 O PRO A 102 52.120 -12.094 40.575 1.00 31.68 O ATOM 794 CB PRO A 102 53.316 -11.053 43.440 1.00 30.92 C ATOM 795 CG PRO A 102 53.573 -9.908 44.363 1.00 30.36 C ATOM 796 CD PRO A 102 52.327 -9.117 44.308 1.00 30.11 C ATOM 797 N ASP A 103 50.390 -11.542 41.868 1.00 29.10 N ATOM 798 CA ASP A 103 49.510 -12.469 41.157 1.00 32.78 C ATOM 799 C ASP A 103 48.953 -11.912 39.833 1.00 31.32 C ATOM 800 O ASP A 103 48.251 -12.625 39.105 1.00 32.25 O ATOM 801 CB ASP A 103 48.328 -12.887 42.074 1.00 38.36 C ATOM 802 CG ASP A 103 47.424 -11.708 42.426 1.00 43.70 C ATOM 803 OD1 ASP A 103 47.985 -10.614 42.712 1.00 46.95 O ATOM 804 OD2 ASP A 103 46.152 -11.840 42.390 1.00 47.76 O ATOM 805 H ASP A 103 50.016 -10.964 42.648 1.00 0.00 H ATOM 806 N THR A 104 49.243 -10.640 39.523 1.00 26.82 N ATOM 807 CA THR A 104 48.713 -10.028 38.314 1.00 23.58 C ATOM 808 C THR A 104 49.509 -10.397 37.063 1.00 21.62 C ATOM 809 O THR A 104 50.692 -10.733 37.068 1.00 22.37 O ATOM 810 CB THR A 104 48.650 -8.459 38.464 1.00 21.76 C ATOM 811 OG1 THR A 104 49.978 -7.934 38.574 1.00 20.55 O ATOM 812 CG2 THR A 104 47.822 -8.057 39.664 1.00 22.90 C ATOM 813 HG1 THR A 104 50.421 -8.324 39.369 1.00 0.00 H ATOM 814 H THR A 104 49.854 -10.084 40.155 1.00 0.00 H ATOM 815 N VAL A 105 48.797 -10.310 35.969 1.00 19.97 N ATOM 816 CA VAL A 105 49.339 -10.459 34.625 1.00 19.71 C ATOM 817 C VAL A 105 50.416 -9.448 34.387 1.00 18.14 C ATOM 818 O VAL A 105 51.397 -9.775 33.781 1.00 18.36 O ATOM 819 CB VAL A 105 48.242 -10.455 33.479 1.00 20.37 C ATOM 820 CG1 VAL A 105 47.263 -11.625 33.639 1.00 21.88 C ATOM 821 CG2 VAL A 105 47.508 -9.103 33.351 1.00 20.25 C ATOM 822 H VAL A 105 47.779 -10.122 36.065 1.00 0.00 H ATOM 823 N TYR A 106 50.339 -8.252 34.990 1.00 18.57 N ATOM 824 CA TYR A 106 51.255 -7.171 34.671 1.00 19.37 C ATOM 825 C TYR A 106 52.594 -7.484 35.319 1.00 19.96 C ATOM 826 O TYR A 106 53.665 -7.421 34.674 1.00 19.29 O ATOM 827 CB TYR A 106 50.719 -5.802 35.134 1.00 19.23 C ATOM 828 CG TYR A 106 49.355 -5.522 34.567 1.00 20.48 C ATOM 829 CD1 TYR A 106 49.121 -5.540 33.157 1.00 20.63 C ATOM 830 CD2 TYR A 106 48.280 -5.208 35.387 1.00 20.87 C ATOM 831 CE1 TYR A 106 47.843 -5.300 32.660 1.00 20.81 C ATOM 832 CE2 TYR A 106 47.034 -4.976 34.844 1.00 21.24 C ATOM 833 CZ TYR A 106 46.837 -5.001 33.497 1.00 22.00 C ATOM 834 OH TYR A 106 45.544 -4.745 33.036 1.00 23.09 O ATOM 835 HH TYR A 106 45.532 -4.792 32.047 1.00 0.00 H ATOM 836 H TYR A 106 49.602 -8.094 35.707 1.00 0.00 H ATOM 837 N TYR A 107 52.509 -7.936 36.548 1.00 20.32 N ATOM 838 CA TYR A 107 53.720 -8.220 37.352 1.00 20.08 C ATOM 839 C TYR A 107 54.426 -9.374 36.755 1.00 20.06 C ATOM 840 O TYR A 107 55.614 -9.348 36.592 1.00 20.17 O ATOM 841 CB TYR A 107 53.325 -8.544 38.833 1.00 20.89 C ATOM 842 CG TYR A 107 54.469 -8.885 39.718 1.00 22.31 C ATOM 843 CD1 TYR A 107 55.140 -10.132 39.619 1.00 24.80 C ATOM 844 CD2 TYR A 107 54.927 -7.949 40.662 1.00 23.85 C ATOM 845 CE1 TYR A 107 56.187 -10.471 40.498 1.00 27.48 C ATOM 846 CE2 TYR A 107 55.966 -8.257 41.511 1.00 26.07 C ATOM 847 CZ TYR A 107 56.581 -9.497 41.429 1.00 27.61 C ATOM 848 OH TYR A 107 57.588 -9.762 42.250 1.00 28.31 O ATOM 849 HH TYR A 107 57.923 -10.677 42.075 1.00 0.00 H ATOM 850 H TYR A 107 51.571 -8.098 36.967 1.00 0.00 H ATOM 851 N LYS A 108 53.692 -10.456 36.459 1.00 20.71 N ATOM 852 CA LYS A 108 54.252 -11.657 35.883 1.00 22.31 C ATOM 853 C LYS A 108 54.924 -11.470 34.594 1.00 21.73 C ATOM 854 O LYS A 108 56.086 -11.875 34.417 1.00 23.95 O ATOM 855 CB LYS A 108 53.202 -12.743 35.732 1.00 22.86 C ATOM 856 CG LYS A 108 52.646 -13.159 37.068 1.00 27.23 C ATOM 857 CD LYS A 108 51.501 -14.126 36.797 1.00 30.18 C ATOM 858 CE LYS A 108 51.022 -14.783 38.063 1.00 33.30 C ATOM 859 NZ LYS A 108 49.742 -15.481 37.754 1.00 35.15 N ATOM 860 HZ1 LYS A 108 49.043 -14.788 37.418 1.00 0.00 H ATOM 861 HZ2 LYS A 108 49.907 -16.194 37.015 1.00 0.00 H ATOM 862 HZ3 LYS A 108 49.386 -15.946 38.613 1.00 0.00 H ATOM 863 H LYS A 108 52.671 -10.430 36.653 1.00 0.00 H ATOM 864 N LEU A 109 54.265 -10.734 33.710 1.00 21.52 N ATOM 865 CA LEU A 109 54.835 -10.508 32.402 1.00 21.13 C ATOM 866 C LEU A 109 56.083 -9.660 32.490 1.00 19.80 C ATOM 867 O LEU A 109 57.081 -9.952 31.830 1.00 19.49 O ATOM 868 CB LEU A 109 53.876 -9.908 31.400 1.00 21.17 C ATOM 869 CG LEU A 109 54.534 -9.920 29.971 1.00 21.58 C ATOM 870 CD1 LEU A 109 54.924 -11.252 29.366 1.00 24.46 C ATOM 871 CD2 LEU A 109 53.563 -9.203 29.055 1.00 23.92 C ATOM 872 H LEU A 109 53.343 -10.322 33.957 1.00 0.00 H ATOM 873 N ALA A 110 56.035 -8.676 33.353 1.00 20.05 N ATOM 874 CA ALA A 110 57.196 -7.732 33.586 1.00 19.42 C ATOM 875 C ALA A 110 58.391 -8.474 34.092 1.00 20.05 C ATOM 876 O ALA A 110 59.464 -8.305 33.588 1.00 21.50 O ATOM 877 CB ALA A 110 56.876 -6.654 34.578 1.00 19.61 C ATOM 878 H ALA A 110 55.162 -8.537 33.902 1.00 0.00 H ATOM 879 N LYS A 111 58.183 -9.343 35.024 1.00 21.39 N ATOM 880 CA LYS A 111 59.304 -10.134 35.564 1.00 24.27 C ATOM 881 C LYS A 111 59.874 -11.019 34.494 1.00 23.89 C ATOM 882 O LYS A 111 61.099 -11.097 34.294 1.00 25.36 O ATOM 883 CB LYS A 111 58.791 -10.936 36.731 1.00 25.51 C ATOM 884 CG LYS A 111 59.857 -11.700 37.488 1.00 28.45 C ATOM 885 CD LYS A 111 59.127 -12.412 38.613 1.00 32.97 C ATOM 886 CE LYS A 111 59.885 -12.494 39.894 1.00 37.65 C ATOM 887 NZ LYS A 111 60.823 -13.608 39.753 1.00 39.42 N ATOM 888 HZ1 LYS A 111 60.293 -14.486 39.578 1.00 0.00 H ATOM 889 HZ2 LYS A 111 61.462 -13.422 38.954 1.00 0.00 H ATOM 890 HZ3 LYS A 111 61.378 -13.705 40.627 1.00 0.00 H ATOM 891 H LYS A 111 57.222 -9.485 35.395 1.00 0.00 H ATOM 892 N LYS A 112 58.991 -11.647 33.741 1.00 23.51 N ATOM 893 CA LYS A 112 59.380 -12.507 32.668 1.00 24.59 C ATOM 894 C LYS A 112 60.141 -11.835 31.574 1.00 24.11 C ATOM 895 O LYS A 112 61.254 -12.288 31.164 1.00 23.85 O ATOM 896 CB LYS A 112 58.120 -13.194 32.115 1.00 26.31 C ATOM 897 CG LYS A 112 58.368 -14.184 30.988 1.00 29.52 C ATOM 898 CD LYS A 112 56.963 -14.670 30.579 1.00 32.47 C ATOM 899 CE LYS A 112 57.039 -16.114 30.115 1.00 34.52 C ATOM 900 NZ LYS A 112 55.642 -16.527 29.813 1.00 35.31 N ATOM 901 HZ1 LYS A 112 55.063 -16.440 30.672 1.00 0.00 H ATOM 902 HZ2 LYS A 112 55.254 -15.914 29.068 1.00 0.00 H ATOM 903 HZ3 LYS A 112 55.636 -17.515 29.489 1.00 0.00 H ATOM 904 H LYS A 112 57.978 -11.512 33.935 1.00 0.00 H ATOM 905 N ILE A 113 59.599 -10.727 31.051 1.00 23.26 N ATOM 906 CA ILE A 113 60.252 -10.060 29.971 1.00 21.69 C ATOM 907 C ILE A 113 61.510 -9.275 30.394 1.00 22.20 C ATOM 908 O ILE A 113 62.376 -9.018 29.562 1.00 22.52 O ATOM 909 CB ILE A 113 59.327 -9.167 29.115 1.00 23.15 C ATOM 910 CG1 ILE A 113 58.848 -7.926 29.879 1.00 25.79 C ATOM 911 CG2 ILE A 113 58.176 -9.980 28.567 1.00 25.36 C ATOM 912 CD1 ILE A 113 58.231 -6.921 28.904 1.00 27.75 C ATOM 913 H ILE A 113 58.705 -10.354 31.431 1.00 0.00 H ATOM 914 N LEU A 114 61.620 -8.923 31.660 1.00 22.59 N ATOM 915 CA LEU A 114 62.838 -8.300 32.171 1.00 22.57 C ATOM 916 C LEU A 114 63.989 -9.268 32.041 1.00 23.94 C ATOM 917 O LEU A 114 65.069 -8.896 31.503 1.00 21.74 O ATOM 918 CB LEU A 114 62.664 -7.840 33.638 1.00 22.01 C ATOM 919 CG LEU A 114 63.969 -7.311 34.188 1.00 23.30 C ATOM 920 CD1 LEU A 114 64.457 -6.066 33.436 1.00 24.43 C ATOM 921 CD2 LEU A 114 63.625 -7.027 35.658 1.00 27.16 C ATOM 922 H LEU A 114 60.824 -9.092 32.307 1.00 0.00 H ATOM 923 N HIS A 115 63.775 -10.518 32.437 1.00 26.06 N ATOM 924 CA HIS A 115 64.848 -11.522 32.349 1.00 27.95 C ATOM 925 C HIS A 115 65.150 -11.963 30.954 1.00 28.64 C ATOM 926 O HIS A 115 66.326 -12.124 30.573 1.00 27.02 O ATOM 927 CB HIS A 115 64.536 -12.696 33.260 1.00 33.83 C ATOM 928 CG HIS A 115 64.568 -12.290 34.694 1.00 41.53 C ATOM 929 ND1 HIS A 115 63.637 -12.708 35.629 1.00 48.65 N ATOM 930 CD2 HIS A 115 65.391 -11.417 35.340 1.00 44.60 C ATOM 931 CE1 HIS A 115 63.890 -12.119 36.790 1.00 51.24 C ATOM 932 NE2 HIS A 115 64.962 -11.345 36.640 1.00 52.36 N ATOM 933 H HIS A 115 62.843 -10.789 32.812 1.00 0.00 H ATOM 934 N ALA A 116 64.116 -12.091 30.115 1.00 29.08 N ATOM 935 CA ALA A 116 64.277 -12.383 28.693 1.00 29.62 C ATOM 936 C ALA A 116 65.071 -11.275 27.974 1.00 30.51 C ATOM 937 O ALA A 116 66.011 -11.551 27.200 1.00 28.38 O ATOM 938 CB ALA A 116 62.926 -12.626 28.061 1.00 30.07 C ATOM 939 H ALA A 116 63.154 -11.977 30.492 1.00 0.00 H ATOM 940 N GLY A 117 64.801 -10.013 28.301 1.00 27.39 N ATOM 941 CA GLY A 117 65.438 -8.911 27.617 1.00 26.88 C ATOM 942 C GLY A 117 66.881 -8.647 28.004 1.00 26.04 C ATOM 943 O GLY A 117 67.720 -8.278 27.140 1.00 28.03 O ATOM 944 H GLY A 117 64.120 -9.817 29.062 1.00 0.00 H ATOM 945 N PHE A 118 67.186 -8.866 29.261 1.00 27.08 N ATOM 946 CA PHE A 118 68.543 -8.771 29.757 1.00 28.75 C ATOM 947 C PHE A 118 69.412 -9.942 29.294 1.00 31.40 C ATOM 948 O PHE A 118 70.625 -9.788 29.191 1.00 32.37 O ATOM 949 CB PHE A 118 68.616 -8.529 31.246 1.00 29.08 C ATOM 950 CG PHE A 118 68.541 -7.050 31.581 1.00 29.01 C ATOM 951 CD1 PHE A 118 67.409 -6.327 31.266 1.00 29.12 C ATOM 952 CD2 PHE A 118 69.628 -6.373 32.098 1.00 31.15 C ATOM 953 CE1 PHE A 118 67.329 -4.939 31.466 1.00 30.30 C ATOM 954 CE2 PHE A 118 69.570 -4.969 32.293 1.00 33.22 C ATOM 955 CZ PHE A 118 68.410 -4.244 31.970 1.00 30.18 C ATOM 956 H PHE A 118 66.426 -9.117 29.925 1.00 0.00 H ATOM 957 N LYS A 119 68.787 -11.059 28.929 1.00 30.00 N ATOM 958 CA LYS A 119 69.526 -12.161 28.278 1.00 32.16 C ATOM 959 C LYS A 119 69.855 -11.734 26.847 1.00 29.36 C ATOM 960 O LYS A 119 71.022 -11.842 26.390 1.00 28.39 O ATOM 961 CB LYS A 119 68.663 -13.431 28.365 1.00 35.11 C ATOM 962 CG LYS A 119 69.303 -14.705 27.931 1.00 41.62 C ATOM 963 CD LYS A 119 68.433 -15.906 28.309 1.00 47.15 C ATOM 964 CE LYS A 119 69.240 -17.182 28.138 1.00 52.68 C ATOM 965 NZ LYS A 119 69.976 -17.463 29.411 1.00 55.78 N ATOM 966 HZ1 LYS A 119 70.613 -16.669 29.624 1.00 0.00 H ATOM 967 HZ2 LYS A 119 69.293 -17.579 30.187 1.00 0.00 H ATOM 968 HZ3 LYS A 119 70.532 -18.335 29.303 1.00 0.00 H ATOM 969 H LYS A 119 67.767 -11.158 29.104 1.00 0.00 H ATOM 970 N MET A 120 68.824 -11.315 26.115 1.00 28.91 N ATOM 971 CA MET A 120 68.949 -10.756 24.744 1.00 28.85 C ATOM 972 C MET A 120 70.013 -9.730 24.584 1.00 28.75 C ATOM 973 O MET A 120 70.672 -9.712 23.570 1.00 28.91 O ATOM 974 CB MET A 120 67.647 -10.146 24.240 1.00 30.55 C ATOM 975 CG MET A 120 67.712 -9.608 22.835 1.00 31.66 C ATOM 976 SD MET A 120 66.097 -9.101 22.223 1.00 35.04 S ATOM 977 CE MET A 120 66.004 -7.516 23.017 1.00 31.47 C ATOM 978 H MET A 120 67.872 -11.383 26.529 1.00 0.00 H ATOM 979 N MET A 121 70.128 -8.841 25.541 1.00 27.54 N ATOM 980 CA MET A 121 70.997 -7.657 25.482 1.00 28.43 C ATOM 981 C MET A 121 72.121 -7.763 26.499 1.00 27.72 C ATOM 982 O MET A 121 72.536 -6.766 27.069 1.00 28.73 O ATOM 983 CB MET A 121 70.181 -6.406 25.703 1.00 27.72 C ATOM 984 CG MET A 121 69.014 -6.254 24.687 1.00 30.00 C ATOM 985 SD MET A 121 68.119 -4.669 24.889 1.00 29.67 S ATOM 986 CE MET A 121 67.086 -5.164 26.275 1.00 30.47 C ATOM 987 H MET A 121 69.564 -8.984 26.403 1.00 0.00 H ATOM 988 N SER A 122 72.547 -8.996 26.768 1.00 28.58 N ATOM 989 CA SER A 122 73.529 -9.302 27.834 1.00 28.83 C ATOM 990 C SER A 122 74.823 -8.697 27.417 1.00 29.09 C ATOM 991 O SER A 122 75.127 -8.635 26.237 1.00 30.73 O ATOM 992 CB SER A 122 73.786 -10.780 28.022 1.00 28.42 C ATOM 993 OG SER A 122 74.320 -11.394 26.851 1.00 32.64 O ATOM 994 HG SER A 122 75.179 -10.962 26.616 1.00 0.00 H ATOM 995 H SER A 122 72.171 -9.783 26.201 1.00 0.00 H ATOM 996 N LYS A 123 75.629 -8.358 28.401 1.00 31.01 N ATOM 997 CA LYS A 123 77.033 -8.048 28.177 1.00 32.43 C ATOM 998 C LYS A 123 77.766 -9.032 27.235 1.00 31.10 C ATOM 999 O LYS A 123 78.425 -8.584 26.272 1.00 27.62 O ATOM 1000 CB LYS A 123 77.738 -7.918 29.506 1.00 35.26 C ATOM 1001 CG LYS A 123 77.303 -6.648 30.257 1.00 36.40 C ATOM 1002 CD LYS A 123 77.913 -5.427 29.590 1.00 40.06 C ATOM 1003 CE LYS A 123 77.140 -4.166 29.839 1.00 42.57 C ATOM 1004 NZ LYS A 123 77.403 -3.729 31.221 1.00 45.45 N ATOM 1005 HZ1 LYS A 123 77.098 -4.472 31.882 1.00 0.00 H ATOM 1006 HZ2 LYS A 123 78.421 -3.554 31.340 1.00 0.00 H ATOM 1007 HZ3 LYS A 123 76.875 -2.854 31.413 1.00 0.00 H ATOM 1008 H LYS A 123 75.251 -8.310 29.369 1.00 0.00 H ATOM 1009 N GLU A 124 77.626 -10.325 27.449 1.00 31.30 N ATOM 1010 CA GLU A 124 78.254 -11.272 26.503 1.00 33.00 C ATOM 1011 C GLU A 124 77.765 -11.132 25.020 1.00 32.81 C ATOM 1012 O GLU A 124 78.606 -11.016 24.132 1.00 33.16 O ATOM 1013 CB GLU A 124 78.275 -12.714 26.959 1.00 38.28 C ATOM 1014 CG GLU A 124 76.986 -13.347 27.360 1.00 45.77 C ATOM 1015 CD GLU A 124 77.233 -14.583 28.208 1.00 53.87 C ATOM 1016 OE1 GLU A 124 76.396 -14.871 29.116 1.00 58.15 O ATOM 1017 OE2 GLU A 124 78.290 -15.233 27.981 1.00 56.01 O ATOM 1018 H GLU A 124 77.085 -10.672 28.267 1.00 0.00 H ATOM 1019 N ARG A 125 76.448 -11.100 24.780 1.00 31.05 N ATOM 1020 CA ARG A 125 75.902 -10.917 23.470 1.00 32.73 C ATOM 1021 C ARG A 125 76.324 -9.598 22.805 1.00 30.46 C ATOM 1022 O ARG A 125 76.691 -9.572 21.606 1.00 28.61 O ATOM 1023 CB ARG A 125 74.402 -10.994 23.504 1.00 37.51 C ATOM 1024 CG ARG A 125 73.827 -12.400 23.597 1.00 43.62 C ATOM 1025 CD ARG A 125 72.460 -12.403 22.891 1.00 49.58 C ATOM 1026 NE ARG A 125 72.156 -13.668 22.227 1.00 57.34 N ATOM 1027 CZ ARG A 125 71.575 -14.724 22.803 1.00 62.15 C ATOM 1028 NH1 ARG A 125 71.181 -14.709 24.083 1.00 60.04 N ATOM 1029 NH2 ARG A 125 71.375 -15.822 22.070 1.00 61.18 N ATOM 1030 HE ARG A 125 72.413 -13.754 21.223 1.00 0.00 H ATOM 1031 HH12 ARG A 125 70.732 -15.550 24.499 1.00 0.00 H ATOM 1032 HH11 ARG A 125 71.324 -13.857 24.661 1.00 0.00 H ATOM 1033 HH22 ARG A 125 70.925 -16.657 22.496 1.00 0.00 H ATOM 1034 HH21 ARG A 125 71.670 -15.842 21.073 1.00 0.00 H ATOM 1035 H ARG A 125 75.794 -11.213 25.580 1.00 0.00 H ATOM 1036 N LEU A 126 76.303 -8.502 23.568 1.00 27.96 N ATOM 1037 CA LEU A 126 76.799 -7.197 23.050 1.00 28.49 C ATOM 1038 C LEU A 126 78.320 -7.241 22.688 1.00 30.11 C ATOM 1039 O LEU A 126 78.750 -6.612 21.705 1.00 28.44 O ATOM 1040 CB LEU A 126 76.524 -6.101 24.066 1.00 30.87 C ATOM 1041 CG LEU A 126 74.961 -5.907 24.259 1.00 32.80 C ATOM 1042 CD1 LEU A 126 74.707 -5.187 25.585 1.00 38.45 C ATOM 1043 CD2 LEU A 126 74.489 -5.160 23.066 1.00 30.60 C ATOM 1044 H LEU A 126 75.935 -8.561 24.539 1.00 0.00 H ATOM 1045 N LEU A 127 79.128 -7.957 23.475 1.00 28.83 N ATOM 1046 CA LEU A 127 80.560 -8.067 23.144 1.00 30.89 C ATOM 1047 C LEU A 127 80.769 -8.788 21.846 1.00 32.65 C ATOM 1048 O LEU A 127 81.632 -8.395 21.005 1.00 31.95 O ATOM 1049 CB LEU A 127 81.356 -8.733 24.273 1.00 33.27 C ATOM 1050 CG LEU A 127 82.894 -8.617 24.270 1.00 38.48 C ATOM 1051 CD1 LEU A 127 83.378 -7.171 24.340 1.00 40.20 C ATOM 1052 CD2 LEU A 127 83.526 -9.407 25.429 1.00 39.44 C ATOM 1053 H LEU A 127 78.748 -8.435 24.317 1.00 0.00 H ATOM 1054 N ALA A 128 80.016 -9.850 21.640 1.00 31.71 N ATOM 1055 CA ALA A 128 80.104 -10.597 20.388 1.00 33.16 C ATOM 1056 C ALA A 128 79.701 -9.714 19.205 1.00 34.85 C ATOM 1057 O ALA A 128 80.311 -9.763 18.129 1.00 32.35 O ATOM 1058 CB ALA A 128 79.175 -11.775 20.430 1.00 33.93 C ATOM 1059 H ALA A 128 79.351 -10.160 22.378 1.00 0.00 H ATOM 1060 N LEU A 129 78.673 -8.918 19.418 1.00 30.89 N ATOM 1061 CA LEU A 129 78.153 -8.028 18.385 1.00 30.89 C ATOM 1062 C LEU A 129 79.220 -6.970 18.064 1.00 30.53 C ATOM 1063 O LEU A 129 79.550 -6.716 16.912 1.00 29.80 O ATOM 1064 CB LEU A 129 76.844 -7.394 18.885 1.00 30.84 C ATOM 1065 CG LEU A 129 76.155 -6.354 17.958 1.00 32.08 C ATOM 1066 CD1 LEU A 129 76.060 -6.889 16.512 1.00 33.92 C ATOM 1067 CD2 LEU A 129 74.826 -5.940 18.543 1.00 31.45 C ATOM 1068 H LEU A 129 78.217 -8.924 20.353 1.00 0.00 H ATOM 1069 N LYS A 130 79.853 -6.456 19.108 1.00 30.44 N ATOM 1070 CA LYS A 130 80.989 -5.569 18.940 1.00 30.68 C ATOM 1071 C LYS A 130 82.158 -6.174 18.169 1.00 30.41 C ATOM 1072 O LYS A 130 82.642 -5.514 17.284 1.00 29.07 O ATOM 1073 CB LYS A 130 81.486 -5.003 20.274 1.00 31.92 C ATOM 1074 CG LYS A 130 80.433 -4.085 20.906 1.00 34.86 C ATOM 1075 CD LYS A 130 80.864 -3.313 22.148 1.00 38.12 C ATOM 1076 CE LYS A 130 82.082 -3.805 22.873 1.00 43.95 C ATOM 1077 NZ LYS A 130 82.034 -3.220 24.284 1.00 45.50 N ATOM 1078 HZ1 LYS A 130 82.035 -2.182 24.228 1.00 0.00 H ATOM 1079 HZ2 LYS A 130 81.168 -3.541 24.762 1.00 0.00 H ATOM 1080 HZ3 LYS A 130 82.866 -3.540 24.819 1.00 0.00 H ATOM 1081 H LYS A 130 79.529 -6.693 20.067 1.00 0.00 H ATOM 1082 N ARG A 131 82.534 -7.423 18.440 1.00 31.73 N ATOM 1083 CA ARG A 131 83.607 -8.091 17.641 1.00 35.74 C ATOM 1084 C ARG A 131 83.225 -8.276 16.155 1.00 33.40 C ATOM 1085 O ARG A 131 84.073 -8.140 15.239 1.00 33.86 O ATOM 1086 CB ARG A 131 83.922 -9.452 18.221 1.00 39.35 C ATOM 1087 CG ARG A 131 84.498 -9.366 19.634 1.00 43.00 C ATOM 1088 CD ARG A 131 85.135 -10.671 20.045 1.00 47.70 C ATOM 1089 NE ARG A 131 84.155 -11.765 20.022 1.00 53.18 N ATOM 1090 CZ ARG A 131 83.353 -12.128 21.045 1.00 58.22 C ATOM 1091 NH1 ARG A 131 83.350 -11.461 22.212 1.00 53.80 N ATOM 1092 NH2 ARG A 131 82.520 -13.164 20.887 1.00 55.43 N ATOM 1093 HE ARG A 131 84.072 -12.308 19.139 1.00 0.00 H ATOM 1094 HH12 ARG A 131 82.721 -11.764 22.983 1.00 0.00 H ATOM 1095 HH11 ARG A 131 83.977 -10.642 22.344 1.00 0.00 H ATOM 1096 HH22 ARG A 131 81.897 -13.454 21.667 1.00 0.00 H ATOM 1097 HH21 ARG A 131 82.496 -13.679 19.984 1.00 0.00 H ATOM 1098 H ARG A 131 82.075 -7.940 19.217 1.00 0.00 H ATOM 1099 N SER A 132 81.966 -8.544 15.940 1.00 29.87 N ATOM 1100 CA SER A 132 81.442 -8.660 14.600 1.00 32.36 C ATOM 1101 C SER A 132 81.447 -7.289 13.846 1.00 31.49 C ATOM 1102 O SER A 132 81.453 -7.263 12.618 1.00 35.46 O ATOM 1103 CB SER A 132 80.072 -9.307 14.647 1.00 29.97 C ATOM 1104 OG SER A 132 78.987 -8.385 14.808 1.00 31.93 O ATOM 1105 HG SER A 132 79.101 -7.888 15.656 1.00 0.00 H ATOM 1106 H SER A 132 81.328 -8.677 16.750 1.00 0.00 H ATOM 1107 N MET A 133 81.395 -6.189 14.564 1.00 30.37 N ATOM 1108 CA MET A 133 81.533 -4.850 13.982 1.00 35.57 C ATOM 1109 C MET A 133 82.953 -4.341 13.764 1.00 35.79 C ATOM 1110 O MET A 133 83.118 -3.201 13.333 1.00 36.47 O ATOM 1111 CB MET A 133 80.710 -3.831 14.711 1.00 39.02 C ATOM 1112 CG MET A 133 79.216 -3.954 14.352 1.00 43.70 C ATOM 1113 SD MET A 133 78.759 -3.900 12.569 1.00 58.30 S ATOM 1114 CE MET A 133 78.309 -5.561 12.223 1.00 49.15 C ATOM 1115 H MET A 133 81.250 -6.272 15.590 1.00 0.00 H ATOM 1116 N SER A 134 83.922 -5.194 14.018 1.00 34.80 N ATOM 1117 CA SER A 134 85.220 -5.101 13.394 1.00 42.66 C ATOM 1118 C SER A 134 85.050 -5.467 11.874 1.00 45.41 C ATOM 1119 O SER A 134 84.425 -6.420 11.289 1.00 38.69 O ATOM 1120 CB SER A 134 86.239 -6.012 14.113 1.00 43.01 C ATOM 1121 OG SER A 134 85.826 -6.177 15.482 1.00 45.83 O ATOM 1122 OXT SER A 134 85.569 -4.643 11.170 1.00 54.16 O ATOM 1123 HG SER A 134 84.927 -6.592 15.507 1.00 0.00 H ATOM 1124 H SER A 134 83.746 -5.964 14.694 1.00 0.00 H TER 1125 SER A 134 HETATM 1126 O HOH 1 67.883 5.451 29.964 1.00 34.83 O HETATM 1127 O HOH 2 58.026 -2.639 18.283 1.00 39.29 O HETATM 1128 O HOH 3 48.699 6.487 27.674 1.00 33.25 O HETATM 1129 O HOH 4 61.038 -12.020 20.959 1.00 38.80 O HETATM 1130 O HOH 5 60.581 1.408 39.243 1.00 32.86 O HETATM 1131 O HOH 6 55.726 2.726 33.913 1.00 18.70 O HETATM 1132 O HOH 7 41.334 0.395 35.005 1.00 33.97 O HETATM 1133 O HOH 8 53.340 7.541 37.189 1.00 48.36 O HETATM 1134 O HOH 9 47.132 -4.298 39.033 1.00 27.06 O HETATM 1135 O HOH 10 53.438 -0.275 35.112 1.00 20.34 O HETATM 1136 O HOH 11 64.882 -5.098 39.212 1.00 35.06 O HETATM 1137 O HOH 12 71.530 0.042 31.650 1.00 25.81 O HETATM 1138 O HOH 13 48.743 -9.799 19.790 1.00 25.14 O HETATM 1139 O HOH 14 48.469 -13.814 36.182 1.00 42.19 O HETATM 1140 O HOH 15 65.993 -2.566 12.847 1.00 38.77 O HETATM 1141 O HOH 16 55.363 -13.245 26.801 1.00 48.42 O HETATM 1142 O HOH 17 55.302 5.829 30.330 1.00 26.13 O HETATM 1143 O HOH 18 53.708 0.821 21.583 1.00 31.00 O HETATM 1144 O HOH 19 60.091 8.546 33.066 1.00 29.93 O HETATM 1145 O HOH 20 66.067 5.028 32.273 1.00 35.75 O HETATM 1146 O HOH 21 43.753 -3.598 34.628 1.00 30.82 O HETATM 1147 O HOH 22 64.334 -7.241 13.537 1.00 39.78 O HETATM 1148 O HOH 23 42.501 7.526 39.224 1.00 26.09 O HETATM 1149 O HOH 24 53.327 -3.849 23.571 1.00 31.26 O HETATM 1150 O HOH 25 66.222 1.502 35.217 1.00 25.33 O HETATM 1151 O HOH 26 54.569 0.493 30.873 1.00 25.72 O HETATM 1152 O HOH 27 50.992 -9.419 26.650 1.00 22.40 O HETATM 1153 O HOH 28 44.889 -6.081 25.007 1.00 23.00 O HETATM 1154 O HOH 29 56.552 -14.203 35.816 1.00 33.12 O HETATM 1155 O HOH 30 58.793 5.622 41.431 1.00 31.26 O HETATM 1156 O HOH 31 76.684 -11.204 29.890 1.00 35.98 O HETATM 1157 O HOH 32 54.179 -5.606 43.975 1.00 27.78 O HETATM 1158 O HOH 33 52.047 0.310 29.903 1.00 21.72 O HETATM 1159 O HOH 34 51.276 -12.295 32.604 1.00 22.78 O HETATM 1160 O HOH 35 85.879 -2.926 9.000 1.00 40.02 O HETATM 1161 O HOH 36 55.419 -0.152 33.338 1.00 17.97 O HETATM 1162 O HOH 37 60.079 10.804 18.284 1.00 35.64 O HETATM 1163 O HOH 38 53.596 4.055 31.960 1.00 23.78 O HETATM 1164 O HOH 39 47.922 10.040 35.181 1.00 42.81 O HETATM 1165 O HOH 40 59.560 5.076 38.696 1.00 23.16 O HETATM 1166 O HOH 41 64.493 0.912 37.363 1.00 27.14 O HETATM 1167 O HOH 42 57.097 -6.484 17.611 1.00 41.27 O HETATM 1168 O HOH 43 53.548 -14.604 29.235 1.00 46.04 O HETATM 1169 O HOH 44 47.684 -4.965 41.668 1.00 30.93 O HETATM 1170 O HOH 45 74.837 4.847 15.184 1.00 34.57 O HETATM 1171 O HOH 46 47.662 -1.965 42.402 1.00 44.52 O HETATM 1172 O HOH 47 44.130 8.115 41.234 1.00 25.46 O HETATM 1173 O HOH 48 74.458 7.509 29.905 1.00 47.53 O HETATM 1174 O HOH 49 67.409 7.852 28.239 1.00 41.49 O HETATM 1175 O HOH 50 44.002 -7.851 26.841 1.00 29.61 O HETATM 1176 O HOH 51 71.996 4.156 31.303 1.00 38.39 O HETATM 1177 O HOH 52 53.881 -13.756 32.005 1.00 28.89 O HETATM 1178 O HOH 53 53.595 6.461 23.704 1.00 47.90 O HETATM 1179 O HOH 54 62.526 5.079 39.054 1.00 34.70 O HETATM 1180 O HOH 55 64.421 6.177 36.752 1.00 37.17 O HETATM 1181 O HOH 56 42.952 -4.052 25.529 1.00 28.46 O HETATM 1182 O HOH 57 66.337 4.337 34.951 1.00 39.31 O HETATM 1183 O HOH 58 69.662 -1.027 33.651 1.00 34.38 O HETATM 1184 O HOH 59 50.364 -14.030 26.137 1.00 44.89 O HETATM 1185 O HOH 60 72.262 2.045 33.328 1.00 34.21 O HETATM 1186 O HOH 61 55.469 8.598 30.490 1.00 41.46 O HETATM 1187 O HOH 62 51.100 -11.939 27.804 1.00 29.54 O HETATM 1188 O HOH 63 63.318 2.383 39.000 1.00 37.06 O HETATM 1189 O HOH 64 52.296 9.357 35.468 1.00 40.85 O HETATM 1190 O HOH 65 68.902 0.749 35.513 1.00 26.53 O HETATM 1191 O HOH 66 66.075 -7.095 38.284 1.00 42.20 O HETATM 1192 O HOH 67 49.295 8.143 23.608 1.00 48.88 O HETATM 1193 CAK UNN A 68 46.229 -1.053 35.932 1.00 -0.03 C HETATM 1194 CAJ UNN A 68 47.376 -1.270 35.018 1.00 -0.04 C HETATM 1195 CAI UNN A 68 48.668 -1.312 35.484 1.00 -0.01 C HETATM 1196 CAH UNN A 68 49.766 -1.511 34.621 1.00 0.19 C HETATM 1197 OAL UNN A 68 50.911 -1.539 35.101 1.00 -0.42 O HETATM 1198 NAG UNN A 68 49.550 -1.764 33.276 1.00 -0.23 N HETATM 1199 CAM UNN A 68 50.697 -2.032 32.353 1.00 0.05 C HETATM 1200 H5 UNN A 68 51.642 -1.966 32.913 1.00 0.06 H HETATM 1201 H6 UNN A 68 50.698 -1.287 31.543 1.00 0.06 H HETATM 1202 H7 UNN A 68 50.595 -3.040 31.924 1.00 0.06 H HETATM 1203 CAD UNN A 68 48.261 -1.796 32.780 1.00 0.08 C HETATM 1204 CAC UNN A 68 48.010 -2.058 31.420 1.00 -0.01 C HETATM 1205 CAB UNN A 68 46.714 -2.034 30.908 1.00 0.07 C HETATM 1206 CAA UNN A 68 45.633 -1.753 31.736 1.00 -0.05 C HETATM 1207 CAF UNN A 68 45.874 -1.487 33.091 1.00 -0.07 C HETATM 1208 CAE UNN A 68 47.172 -1.493 33.630 1.00 0.01 C HETATM 1209 H9 UNN A 68 45.035 -1.270 33.742 1.00 0.06 H HETATM 1210 H10 UNN A 68 44.623 -1.740 31.341 1.00 0.04 H HETATM 1211 NAN UNN A 68 46.460 -2.380 29.614 1.00 -0.20 N HETATM 1212 CAO UNN A 68 45.822 -3.592 29.421 1.00 0.21 C HETATM 1213 OAT UNN A 68 45.426 -4.263 30.416 1.00 -0.38 O HETATM 1214 CAP UNN A 68 45.430 -4.109 28.141 1.00 0.05 C HETATM 1215 CAQ UNN A 68 46.256 -3.443 27.017 1.00 -0.01 C HETATM 1216 CAR UNN A 68 46.323 -1.980 27.195 1.00 0.08 C HETATM 1217 NBA UNN A 68 47.156 -1.522 26.089 1.00 -0.25 N HETATM 1218 CBB UNN A 68 46.576 -1.166 24.931 1.00 0.32 C HETATM 1219 OBH UNN A 68 45.347 -1.086 24.836 1.00 -0.38 O HETATM 1220 OBC UNN A 68 47.381 -0.926 23.880 1.00 -0.26 O HETATM 1221 CBD UNN A 68 46.865 -0.950 22.512 1.00 0.09 C HETATM 1222 CBF UNN A 68 45.986 -2.206 22.231 1.00 -0.03 C HETATM 1223 H17 UNN A 68 45.624 -2.176 21.193 1.00 0.03 H HETATM 1224 H18 UNN A 68 45.127 -2.214 22.918 1.00 0.03 H HETATM 1225 H19 UNN A 68 46.586 -3.115 22.384 1.00 0.03 H HETATM 1226 CBG UNN A 68 48.130 -0.915 21.631 1.00 -0.03 C HETATM 1227 H20 UNN A 68 47.839 -0.930 20.570 1.00 0.03 H HETATM 1228 H21 UNN A 68 48.755 -1.793 21.852 1.00 0.03 H HETATM 1229 H22 UNN A 68 48.699 0.003 21.842 1.00 0.03 H HETATM 1230 CBE UNN A 68 46.055 0.325 22.256 1.00 -0.03 C HETATM 1231 H23 UNN A 68 45.665 0.311 21.228 1.00 0.03 H HETATM 1232 H24 UNN A 68 46.703 1.204 22.391 1.00 0.03 H HETATM 1233 H25 UNN A 68 45.216 0.375 22.966 1.00 0.03 H HETATM 1234 H16 UNN A 68 48.150 -1.474 26.192 1.00 0.19 H HETATM 1235 CAS UNN A 68 47.041 -1.608 28.541 1.00 0.12 C HETATM 1236 CAU UNN A 68 46.999 -0.234 28.774 1.00 -0.01 C HETATM 1237 CAV UNN A 68 48.209 0.495 28.858 1.00 -0.06 C HETATM 1238 CAW UNN A 68 48.191 1.907 29.081 1.00 -0.07 C HETATM 1239 CAX UNN A 68 46.970 2.565 29.207 1.00 -0.07 C HETATM 1240 CAY UNN A 68 45.783 1.835 29.115 1.00 -0.07 C HETATM 1241 CAZ UNN A 68 45.771 0.442 28.897 1.00 -0.06 C HETATM 1242 H31 UNN A 68 44.834 -0.098 28.826 1.00 0.06 H HETATM 1243 H30 UNN A 68 44.838 2.357 29.215 1.00 0.06 H HETATM 1244 H29 UNN A 68 46.941 3.635 29.375 1.00 0.06 H HETATM 1245 H28 UNN A 68 49.120 2.461 29.151 1.00 0.06 H HETATM 1246 H27 UNN A 68 49.157 -0.021 28.753 1.00 0.06 H HETATM 1247 H26 UNN A 68 48.100 -1.894 28.455 1.00 0.08 H HETATM 1248 H15 UNN A 68 45.320 -1.530 27.161 1.00 0.06 H HETATM 1249 H13 UNN A 68 45.786 -3.665 26.048 1.00 0.03 H HETATM 1250 H14 UNN A 68 47.277 -3.853 27.032 1.00 0.03 H HETATM 1251 H11 UNN A 68 44.362 -3.902 27.978 1.00 0.05 H HETATM 1252 H12 UNN A 68 45.600 -5.196 28.121 1.00 0.05 H HETATM 1253 H8 UNN A 68 48.839 -2.282 30.759 1.00 0.04 H HETATM 1254 H4 UNN A 68 48.850 -1.188 36.551 1.00 0.04 H HETATM 1255 H1 UNN A 68 46.600 -0.900 36.956 1.00 0.04 H HETATM 1256 H2 UNN A 68 45.570 -1.933 35.908 1.00 0.04 H HETATM 1257 H3 UNN A 68 45.666 -0.164 35.610 1.00 0.04 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1193 1194 1255 1256 1257 CONECT 1194 1193 1195 1208 CONECT 1195 1194 1196 1254 CONECT 1196 1195 1197 1198 CONECT 1197 1196 CONECT 1198 1196 1199 1203 CONECT 1199 1198 1200 1201 1202 CONECT 1200 1199 CONECT 1201 1199 CONECT 1202 1199 CONECT 1203 1198 1204 1208 CONECT 1204 1203 1205 1253 CONECT 1205 1204 1206 1211 CONECT 1206 1205 1207 1210 CONECT 1207 1206 1208 1209 CONECT 1208 1194 1203 1207 CONECT 1209 1207 CONECT 1210 1206 CONECT 1211 1205 1212 1235 CONECT 1212 1211 1213 1214 CONECT 1213 1212 CONECT 1214 1212 1215 1251 1252 CONECT 1215 1214 1216 1249 1250 CONECT 1216 1215 1217 1235 1248 CONECT 1217 1216 1218 1234 CONECT 1218 1217 1219 1220 CONECT 1219 1218 CONECT 1220 1218 1221 CONECT 1221 1220 1222 1226 1230 CONECT 1222 1221 1223 1224 1225 CONECT 1223 1222 CONECT 1224 1222 CONECT 1225 1222 CONECT 1226 1221 1227 1228 1229 CONECT 1227 1226 CONECT 1228 1226 CONECT 1229 1226 CONECT 1230 1221 1231 1232 1233 CONECT 1231 1230 CONECT 1232 1230 CONECT 1233 1230 CONECT 1234 1217 CONECT 1235 1211 1216 1236 1247 CONECT 1236 1235 1237 1241 CONECT 1237 1236 1238 1246 CONECT 1238 1237 1239 1245 CONECT 1239 1238 1240 1244 CONECT 1240 1239 1241 1243 CONECT 1241 1236 1240 1242 CONECT 1242 1241 CONECT 1243 1240 CONECT 1244 1239 CONECT 1245 1238 CONECT 1246 1237 CONECT 1247 1235 CONECT 1248 1216 CONECT 1249 1215 CONECT 1250 1215 CONECT 1251 1214 CONECT 1252 1214 CONECT 1253 1204 CONECT 1254 1195 CONECT 1255 1193 CONECT 1256 1193 CONECT 1257 1193 MASTER 0 0 0 0 0 0 0 0 1256 1 69 9 END
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Related entries of code: 4z6i
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Protein Sequence Similarity
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PDBbind
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123aa, >5EU1_1|Chains... at 100%
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PDBbind
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PDBbind
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PDBbind
102aa, >5I40_1|Chain... at 100%
5i7x
RCSB PDB
PDBbind
101aa, >5I7X_1|Chain... at 100%
5i7y
RCSB PDB
PDBbind
101aa, >5I7Y_1|Chain... at 100%
5igm
RCSB PDB
PDBbind
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PDBbind
111aa, >5JI8_1|Chain... at 92%
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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
4z6i
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 9
Ligand Name
4L3
EC.Number
E.C.-.-.-.-
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
Kd=493nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Angew.Chem.Int.Ed.Engl. Vol. 54: pp. 6217-6221
Ligand Properties
Formula
C
2
7
H
3
1
N
3
O
4
Molecular Weight
461.553
Exact Mass
461.231
No. of atoms
65
No. of bonds
68
Polar Surface Area
80.64
LOGP Value
3.15 (
Computed with XLOGP3
)
5.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
O=C(OC(C)(C)C)N[C@H]1CCC(=O)N([C@@H]1c1ccccc1)c1ccc2c(c1)n(C)c(=O)cc2C
InChI String
InChI=1S/C27H31N3O4/c1-17-15-24(32)29(5)22-16-19(11-12-20(17)22)30-23(31)14-13-21(28-26(33)34-27(2,3)4)25(30)18-9-7-6-8-10-18/h6-12,15-16,21,25H,13-14H2,1-5H3,(H,28,33)/t21-,25+/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):
Q9H8M2
Entrez Gene ID
NCBI Entrez Gene ID:
65980
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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