Browse entries in the PDBbind-CN Database
HEADER 5JI8_COMPLEX COMPND 5JI8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 100 THR PRO ILE GLN GLN LEU LEU GLU HIS PHE LEU ARG GLN SEQRES 2 A 100 LEU GLN ARG LYS ASP PRO HIS GLY PHE PHE ALA PHE PRO SEQRES 3 A 100 VAL THR ASP ALA ILE ALA PRO GLY TYR SER MET ILE ILE SEQRES 4 A 100 LYS HIS PRO MET ASP PHE GLY THR MET LYS ASP LYS ILE SEQRES 5 A 100 VAL ALA ASN GLU TYR LYS SER VAL THR GLU PHE LYS ALA SEQRES 6 A 100 ASP PHE LYS LEU MET CYS ASP ASN ALA MET THR TYR ASN SEQRES 7 A 100 ARG PRO ASP THR VAL TYR TYR LYS LEU ALA LYS LYS ILE SEQRES 8 A 100 LEU HIS ALA GLY PHE LYS MET MET SER HET UNN A 257 20 ATOM 1 N THR A 139 4.431 -14.379 -13.941 1.00 37.39 N ATOM 2 CA THR A 139 3.048 -14.808 -14.154 1.00 34.84 C ATOM 3 C THR A 139 2.136 -13.619 -14.443 1.00 32.83 C ATOM 4 O THR A 139 2.487 -12.489 -14.118 1.00 32.78 O ATOM 5 CB THR A 139 2.492 -15.525 -12.913 1.00 34.06 C ATOM 6 OG1 THR A 139 2.281 -14.578 -11.860 1.00 32.27 O ATOM 7 CG2 THR A 139 3.461 -16.598 -12.438 1.00 39.19 C ATOM 8 HG1 THR A 139 3.141 -14.144 -11.631 1.00 0.00 H ATOM 9 HN3 THR A 139 4.470 -13.727 -13.131 1.00 0.00 H ATOM 10 HN2 THR A 139 4.778 -13.895 -14.794 1.00 0.00 H ATOM 11 HN1 THR A 139 5.025 -15.211 -13.747 1.00 0.00 H ATOM 12 N PRO A 140 0.966 -13.870 -15.046 1.00 29.18 N ATOM 13 CA PRO A 140 0.015 -12.765 -15.269 1.00 32.40 C ATOM 14 C PRO A 140 -0.279 -11.962 -14.016 1.00 28.52 C ATOM 15 O PRO A 140 -0.249 -10.726 -14.052 1.00 25.97 O ATOM 16 CB PRO A 140 -1.230 -13.480 -15.804 1.00 31.26 C ATOM 17 CG PRO A 140 -0.692 -14.680 -16.502 1.00 33.74 C ATOM 18 CD PRO A 140 0.525 -15.112 -15.706 1.00 33.40 C ATOM 19 N ILE A 141 -0.555 -12.633 -12.897 1.00 25.74 N ATOM 20 CA ILE A 141 -0.862 -11.915 -11.664 1.00 22.97 C ATOM 21 C ILE A 141 0.335 -11.082 -11.217 1.00 21.65 C ATOM 22 O ILE A 141 0.191 -9.915 -10.830 1.00 18.80 O ATOM 23 CB ILE A 141 -1.365 -12.884 -10.573 1.00 21.97 C ATOM 24 CG1 ILE A 141 -1.769 -12.115 -9.314 1.00 28.07 C ATOM 25 CG2 ILE A 141 -0.323 -13.962 -10.268 1.00 29.32 C ATOM 26 CD1 ILE A 141 -3.006 -11.275 -9.506 1.00 30.02 C ATOM 27 H ILE A 141 -0.551 -13.673 -12.903 1.00 0.00 H ATOM 28 N GLN A 142 1.540 -11.655 -11.254 1.00 20.19 N ATOM 29 CA GLN A 142 2.704 -10.888 -10.811 1.00 21.07 C ATOM 30 C GLN A 142 2.893 -9.654 -11.684 1.00 21.17 C ATOM 31 O GLN A 142 3.211 -8.570 -11.184 1.00 21.61 O ATOM 32 CB GLN A 142 3.961 -11.767 -10.817 1.00 21.74 C ATOM 33 CG GLN A 142 4.070 -12.754 -9.653 1.00 22.64 C ATOM 34 CD GLN A 142 5.270 -13.680 -9.778 1.00 27.75 C ATOM 35 OE1 GLN A 142 5.353 -14.486 -10.709 1.00 31.89 O ATOM 36 NE2 GLN A 142 6.212 -13.567 -8.841 1.00 28.08 N ATOM 37 HE22 GLN A 142 6.102 -12.874 -8.074 1.00 0.00 H ATOM 38 HE21 GLN A 142 7.057 -14.172 -8.878 1.00 0.00 H ATOM 39 H GLN A 142 1.650 -12.632 -11.593 1.00 0.00 H ATOM 40 N GLN A 143 2.664 -9.793 -12.993 1.00 25.60 N ATOM 41 CA GLN A 143 2.792 -8.650 -13.889 1.00 20.41 C ATOM 42 C GLN A 143 1.765 -7.570 -13.572 1.00 24.71 C ATOM 43 O GLN A 143 2.090 -6.380 -13.571 1.00 22.69 O ATOM 44 CB GLN A 143 2.653 -9.104 -15.335 1.00 27.65 C ATOM 45 CG GLN A 143 3.895 -9.736 -15.866 1.00 33.39 C ATOM 46 CD GLN A 143 3.812 -9.965 -17.350 1.00 34.38 C ATOM 47 OE1 GLN A 143 4.336 -9.177 -18.136 1.00 42.33 O ATOM 48 NE2 GLN A 143 3.134 -11.033 -17.748 1.00 38.15 N ATOM 49 HE22 GLN A 143 2.709 -11.671 -17.045 1.00 0.00 H ATOM 50 HE21 GLN A 143 3.028 -11.233 -18.763 1.00 0.00 H ATOM 51 H GLN A 143 2.393 -10.722 -13.375 1.00 0.00 H ATOM 52 N LEU A 144 0.513 -7.956 -13.343 1.00 19.83 N ATOM 53 CA LEU A 144 -0.508 -6.968 -13.013 1.00 17.78 C ATOM 54 C LEU A 144 -0.193 -6.278 -11.691 1.00 18.36 C ATOM 55 O LEU A 144 -0.334 -5.060 -11.568 1.00 14.68 O ATOM 56 CB LEU A 144 -1.892 -7.626 -12.980 1.00 20.28 C ATOM 57 CG LEU A 144 -3.049 -6.706 -12.588 1.00 20.87 C ATOM 58 CD1 LEU A 144 -3.163 -5.555 -13.573 1.00 18.61 C ATOM 59 CD2 LEU A 144 -4.356 -7.473 -12.497 1.00 20.98 C ATOM 60 H LEU A 144 0.262 -8.964 -13.399 1.00 0.00 H ATOM 61 N LEU A 145 0.216 -7.040 -10.683 1.00 14.98 N ATOM 62 CA LEU A 145 0.514 -6.430 -9.394 1.00 12.92 C ATOM 63 C LEU A 145 1.730 -5.511 -9.473 1.00 13.05 C ATOM 64 O LEU A 145 1.754 -4.472 -8.817 1.00 12.59 O ATOM 65 CB LEU A 145 0.685 -7.512 -8.329 1.00 14.09 C ATOM 66 CG LEU A 145 -0.563 -8.371 -8.099 1.00 14.84 C ATOM 67 CD1 LEU A 145 -0.313 -9.320 -6.914 1.00 18.75 C ATOM 68 CD2 LEU A 145 -1.837 -7.542 -7.884 1.00 15.55 C ATOM 69 H LEU A 145 0.323 -8.066 -10.813 1.00 0.00 H ATOM 70 N GLU A 146 2.745 -5.869 -10.271 1.00 15.35 N ATOM 71 CA GLU A 146 3.864 -4.957 -10.473 1.00 14.41 C ATOM 72 C GLU A 146 3.377 -3.662 -11.091 1.00 14.40 C ATOM 73 O GLU A 146 3.849 -2.578 -10.731 1.00 14.86 O ATOM 74 CB GLU A 146 4.913 -5.596 -11.380 1.00 18.08 C ATOM 75 CG GLU A 146 5.586 -6.793 -10.770 1.00 25.49 C ATOM 76 CD GLU A 146 6.831 -6.441 -9.990 1.00 32.54 C ATOM 77 OE1 GLU A 146 7.725 -7.317 -9.922 1.00 35.74 O ATOM 78 OE2 GLU A 146 6.925 -5.297 -9.469 1.00 38.53 O ATOM 79 H GLU A 146 2.734 -6.795 -10.745 1.00 0.00 H ATOM 80 N HIS A 147 2.443 -3.754 -12.031 1.00 14.53 N ATOM 81 CA HIS A 147 1.895 -2.555 -12.656 1.00 14.87 C ATOM 82 C HIS A 147 1.164 -1.706 -11.627 1.00 13.86 C ATOM 83 O HIS A 147 1.386 -0.493 -11.526 1.00 14.36 O ATOM 84 CB HIS A 147 0.949 -2.939 -13.797 1.00 16.87 C ATOM 85 CG HIS A 147 0.137 -1.795 -14.306 1.00 17.34 C ATOM 86 ND1 HIS A 147 0.671 -0.800 -15.099 1.00 21.72 N ATOM 87 CD2 HIS A 147 -1.169 -1.477 -14.131 1.00 19.92 C ATOM 88 CE1 HIS A 147 -0.275 0.070 -15.402 1.00 20.95 C ATOM 89 NE2 HIS A 147 -1.397 -0.308 -14.813 1.00 22.58 N ATOM 90 H HIS A 147 2.099 -4.690 -12.324 1.00 0.00 H ATOM 91 N PHE A 148 0.285 -2.324 -10.849 1.00 12.82 N ATOM 92 CA PHE A 148 -0.435 -1.588 -9.821 1.00 11.50 C ATOM 93 C PHE A 148 0.538 -0.943 -8.851 1.00 11.48 C ATOM 94 O PHE A 148 0.376 0.224 -8.476 1.00 11.83 O ATOM 95 CB PHE A 148 -1.371 -2.530 -9.060 1.00 11.66 C ATOM 96 CG PHE A 148 -2.667 -2.880 -9.781 1.00 14.06 C ATOM 97 CD1 PHE A 148 -3.195 -2.120 -10.819 1.00 15.41 C ATOM 98 CD2 PHE A 148 -3.375 -3.987 -9.354 1.00 15.32 C ATOM 99 CE1 PHE A 148 -4.396 -2.484 -11.422 1.00 19.97 C ATOM 100 CE2 PHE A 148 -4.564 -4.339 -9.946 1.00 19.42 C ATOM 101 CZ PHE A 148 -5.073 -3.590 -10.981 1.00 21.49 C ATOM 102 H PHE A 148 0.109 -3.341 -10.975 1.00 0.00 H ATOM 103 N LEU A 149 1.540 -1.698 -8.397 1.00 11.43 N ATOM 104 CA LEU A 149 2.475 -1.144 -7.424 1.00 9.79 C ATOM 105 C LEU A 149 3.222 0.068 -7.985 1.00 12.34 C ATOM 106 O LEU A 149 3.381 1.074 -7.287 1.00 12.06 O ATOM 107 CB LEU A 149 3.443 -2.229 -6.946 1.00 12.87 C ATOM 108 CG LEU A 149 4.433 -1.812 -5.851 1.00 14.21 C ATOM 109 CD1 LEU A 149 3.726 -1.331 -4.643 1.00 16.21 C ATOM 110 CD2 LEU A 149 5.334 -2.982 -5.468 1.00 19.29 C ATOM 111 H LEU A 149 1.654 -2.675 -8.735 1.00 0.00 H ATOM 112 N ARG A 150 3.672 0.006 -9.239 1.00 12.62 N ATOM 113 CA ARG A 150 4.324 1.166 -9.833 1.00 12.75 C ATOM 114 C ARG A 150 3.393 2.374 -9.828 1.00 13.02 C ATOM 115 O ARG A 150 3.815 3.501 -9.526 1.00 14.87 O ATOM 116 CB ARG A 150 4.745 0.841 -11.265 1.00 15.64 C ATOM 117 CG ARG A 150 6.026 0.026 -11.401 1.00 22.83 C ATOM 118 CD ARG A 150 6.515 -0.015 -12.861 1.00 26.25 C ATOM 119 NE ARG A 150 5.559 -0.676 -13.753 1.00 29.61 N ATOM 120 CZ ARG A 150 5.560 -1.980 -14.026 1.00 26.13 C ATOM 121 NH1 ARG A 150 4.649 -2.494 -14.850 1.00 26.39 N ATOM 122 NH2 ARG A 150 6.464 -2.776 -13.469 1.00 26.50 N ATOM 123 HE ARG A 150 4.830 -0.087 -14.204 1.00 0.00 H ATOM 124 HH12 ARG A 150 4.654 -3.513 -15.060 1.00 0.00 H ATOM 125 HH11 ARG A 150 3.933 -1.877 -15.283 1.00 0.00 H ATOM 126 HH22 ARG A 150 6.463 -3.794 -13.683 1.00 0.00 H ATOM 127 HH21 ARG A 150 7.173 -2.382 -12.818 1.00 0.00 H ATOM 128 H ARG A 150 3.558 -0.868 -9.791 1.00 0.00 H ATOM 129 N GLN A 151 2.135 2.169 -10.186 1.00 12.69 N ATOM 130 CA GLN A 151 1.199 3.282 -10.256 1.00 14.40 C ATOM 131 C GLN A 151 0.914 3.843 -8.871 1.00 14.23 C ATOM 132 O GLN A 151 0.774 5.058 -8.692 1.00 15.44 O ATOM 133 CB GLN A 151 -0.089 2.814 -10.940 1.00 16.92 C ATOM 134 CG GLN A 151 0.122 2.479 -12.435 1.00 20.09 C ATOM 135 CD GLN A 151 0.918 3.548 -13.164 1.00 24.67 C ATOM 136 OE1 GLN A 151 0.561 4.723 -13.151 1.00 30.36 O ATOM 137 NE2 GLN A 151 2.020 3.147 -13.782 1.00 32.59 N ATOM 138 HE22 GLN A 151 2.287 2.142 -13.769 1.00 0.00 H ATOM 139 HE21 GLN A 151 2.618 3.837 -14.280 1.00 0.00 H ATOM 140 H GLN A 151 1.814 1.208 -10.419 1.00 0.00 H ATOM 141 N LEU A 152 0.805 2.979 -7.882 1.00 11.97 N ATOM 142 CA LEU A 152 0.558 3.431 -6.513 1.00 9.60 C ATOM 143 C LEU A 152 1.750 4.201 -5.969 1.00 12.34 C ATOM 144 O LEU A 152 1.586 5.273 -5.370 1.00 11.07 O ATOM 145 CB LEU A 152 0.219 2.241 -5.618 1.00 10.10 C ATOM 146 CG LEU A 152 -1.087 1.526 -5.937 1.00 11.27 C ATOM 147 CD1 LEU A 152 -1.182 0.224 -5.153 1.00 13.40 C ATOM 148 CD2 LEU A 152 -2.292 2.424 -5.685 1.00 13.23 C ATOM 149 H LEU A 152 0.896 1.962 -8.078 1.00 0.00 H ATOM 150 N GLN A 153 2.956 3.692 -6.187 1.00 10.40 N ATOM 151 CA GLN A 153 4.142 4.373 -5.667 1.00 12.63 C ATOM 152 C GLN A 153 4.359 5.730 -6.304 1.00 11.95 C ATOM 153 O GLN A 153 4.945 6.617 -5.671 1.00 15.35 O ATOM 154 CB GLN A 153 5.407 3.528 -5.848 1.00 19.24 C ATOM 155 CG GLN A 153 5.455 2.415 -4.912 1.00 18.96 C ATOM 156 CD GLN A 153 6.872 1.924 -4.603 1.00 17.46 C ATOM 157 OE1 GLN A 153 7.293 0.954 -5.199 1.00 19.66 O ATOM 158 NE2 GLN A 153 7.568 2.544 -3.620 1.00 16.43 N ATOM 159 HE22 GLN A 153 7.163 3.373 -3.139 1.00 0.00 H ATOM 160 HE21 GLN A 153 8.507 2.191 -3.346 1.00 0.00 H ATOM 161 H GLN A 153 3.058 2.809 -6.727 1.00 0.00 H ATOM 162 N ARG A 154 3.920 5.928 -7.559 1.00 12.81 N ATOM 163 CA ARG A 154 4.012 7.244 -8.179 1.00 14.03 C ATOM 164 C ARG A 154 3.257 8.304 -7.385 1.00 14.20 C ATOM 165 O ARG A 154 3.583 9.490 -7.498 1.00 15.54 O ATOM 166 CB ARG A 154 3.434 7.205 -9.588 1.00 18.40 C ATOM 167 CG ARG A 154 4.376 6.646 -10.621 1.00 25.35 C ATOM 168 CD ARG A 154 3.761 6.617 -12.029 1.00 28.53 C ATOM 169 NE ARG A 154 3.134 7.881 -12.411 1.00 32.53 N ATOM 170 HE ARG A 154 3.137 8.684 -11.750 1.00 0.00 H ATOM 171 H ARG A 154 3.511 5.135 -8.093 1.00 0.00 H ATOM 172 N LYS A 155 2.265 7.902 -6.589 1.00 13.11 N ATOM 173 CA LYS A 155 1.468 8.819 -5.795 1.00 12.22 C ATOM 174 C LYS A 155 2.128 9.166 -4.472 1.00 13.48 C ATOM 175 O LYS A 155 1.559 9.968 -3.719 1.00 15.04 O ATOM 176 CB LYS A 155 0.086 8.222 -5.497 1.00 15.59 C ATOM 177 CG LYS A 155 -0.743 7.901 -6.713 1.00 19.58 C ATOM 178 CD LYS A 155 -2.061 7.224 -6.307 1.00 23.80 C ATOM 179 CE LYS A 155 -2.909 6.848 -7.515 1.00 27.28 C ATOM 180 NZ LYS A 155 -3.210 8.013 -8.356 1.00 27.27 N ATOM 181 HZ1 LYS A 155 -3.733 8.717 -7.797 1.00 0.00 H ATOM 182 HZ2 LYS A 155 -2.321 8.431 -8.698 1.00 0.00 H ATOM 183 HZ3 LYS A 155 -3.789 7.714 -9.167 1.00 0.00 H ATOM 184 H LYS A 155 2.053 6.885 -6.535 1.00 0.00 H ATOM 185 N ASP A 156 3.298 8.587 -4.179 1.00 12.28 N ATOM 186 CA ASP A 156 4.056 8.850 -2.950 1.00 10.84 C ATOM 187 C ASP A 156 5.459 9.275 -3.351 1.00 11.45 C ATOM 188 O ASP A 156 6.437 8.540 -3.139 1.00 11.24 O ATOM 189 CB ASP A 156 4.077 7.566 -2.123 1.00 9.31 C ATOM 190 CG ASP A 156 4.942 7.655 -0.873 1.00 12.14 C ATOM 191 OD1 ASP A 156 5.089 8.760 -0.329 1.00 11.14 O ATOM 192 OD2 ASP A 156 5.451 6.582 -0.421 1.00 11.03 O ATOM 193 H ASP A 156 3.694 7.910 -4.863 1.00 0.00 H ATOM 194 N PRO A 157 5.613 10.460 -3.958 1.00 12.46 N ATOM 195 CA PRO A 157 6.917 10.869 -4.498 1.00 13.45 C ATOM 196 C PRO A 157 7.999 11.040 -3.451 1.00 13.65 C ATOM 197 O PRO A 157 9.194 10.960 -3.791 1.00 16.11 O ATOM 198 CB PRO A 157 6.601 12.199 -5.213 1.00 15.20 C ATOM 199 CG PRO A 157 5.336 12.675 -4.591 1.00 15.06 C ATOM 200 CD PRO A 157 4.557 11.440 -4.285 1.00 13.51 C ATOM 201 N HIS A 158 7.634 11.359 -2.207 1.00 13.44 N ATOM 202 CA HIS A 158 8.621 11.457 -1.138 1.00 13.87 C ATOM 203 C HIS A 158 9.017 10.102 -0.581 1.00 13.34 C ATOM 204 O HIS A 158 9.968 10.041 0.208 1.00 15.90 O ATOM 205 CB HIS A 158 8.068 12.279 0.021 1.00 14.44 C ATOM 206 CG HIS A 158 7.898 13.725 -0.291 1.00 16.14 C ATOM 207 ND1 HIS A 158 8.966 14.591 -0.386 1.00 20.11 N ATOM 208 CD2 HIS A 158 6.785 14.462 -0.503 1.00 16.66 C ATOM 209 CE1 HIS A 158 8.517 15.805 -0.647 1.00 19.63 C ATOM 210 NE2 HIS A 158 7.199 15.755 -0.727 1.00 18.72 N ATOM 211 H HIS A 158 6.632 11.540 -1.997 1.00 0.00 H ATOM 212 N GLY A 159 8.304 9.045 -0.929 1.00 11.93 N ATOM 213 CA GLY A 159 8.618 7.745 -0.373 1.00 10.54 C ATOM 214 C GLY A 159 8.270 7.605 1.095 1.00 12.75 C ATOM 215 O GLY A 159 8.944 6.865 1.814 1.00 11.83 O ATOM 216 H GLY A 159 7.518 9.147 -1.602 1.00 0.00 H ATOM 217 N PHE A 160 7.250 8.316 1.572 1.00 10.67 N ATOM 218 CA PHE A 160 6.811 8.136 2.954 1.00 10.48 C ATOM 219 C PHE A 160 6.454 6.681 3.233 1.00 10.41 C ATOM 220 O PHE A 160 6.595 6.223 4.376 1.00 15.13 O ATOM 221 CB PHE A 160 5.579 9.021 3.230 1.00 13.99 C ATOM 222 CG PHE A 160 5.833 10.522 3.130 1.00 14.63 C ATOM 223 CD1 PHE A 160 7.036 11.088 3.499 1.00 16.01 C ATOM 224 CD2 PHE A 160 4.817 11.363 2.684 1.00 21.69 C ATOM 225 CE1 PHE A 160 7.255 12.483 3.403 1.00 23.49 C ATOM 226 CE2 PHE A 160 5.036 12.754 2.600 1.00 18.82 C ATOM 227 CZ PHE A 160 6.237 13.290 2.950 1.00 23.99 C ATOM 228 H PHE A 160 6.764 9.002 0.959 1.00 0.00 H ATOM 229 N PHE A 161 5.994 5.943 2.221 1.00 8.65 N ATOM 230 CA PHE A 161 5.516 4.575 2.372 1.00 9.82 C ATOM 231 C PHE A 161 6.411 3.583 1.641 1.00 9.01 C ATOM 232 O PHE A 161 6.027 2.430 1.442 1.00 9.22 O ATOM 233 CB PHE A 161 4.059 4.496 1.893 1.00 11.62 C ATOM 234 CG PHE A 161 3.159 5.484 2.596 1.00 12.89 C ATOM 235 CD1 PHE A 161 3.200 5.599 3.983 1.00 19.25 C ATOM 236 CD2 PHE A 161 2.392 6.392 1.891 1.00 13.96 C ATOM 237 CE1 PHE A 161 2.416 6.534 4.644 1.00 21.61 C ATOM 238 CE2 PHE A 161 1.601 7.321 2.563 1.00 15.53 C ATOM 239 CZ PHE A 161 1.613 7.390 3.920 1.00 18.40 C ATOM 240 H PHE A 161 5.976 6.368 1.272 1.00 0.00 H ATOM 241 N ALA A 162 7.610 4.007 1.259 1.00 8.27 N ATOM 242 CA ALA A 162 8.496 3.152 0.480 1.00 8.51 C ATOM 243 C ALA A 162 9.092 2.016 1.290 1.00 9.38 C ATOM 244 O ALA A 162 9.384 0.957 0.721 1.00 9.89 O ATOM 245 CB ALA A 162 9.602 3.998 -0.130 1.00 9.45 C ATOM 246 H ALA A 162 7.921 4.964 1.520 1.00 0.00 H ATOM 247 N PHE A 163 9.325 2.223 2.579 1.00 9.31 N ATOM 248 CA PHE A 163 10.055 1.276 3.408 1.00 10.12 C ATOM 249 C PHE A 163 9.367 1.157 4.750 1.00 10.78 C ATOM 250 O PHE A 163 8.582 2.032 5.135 1.00 10.97 O ATOM 251 CB PHE A 163 11.492 1.762 3.620 1.00 11.41 C ATOM 252 CG PHE A 163 12.240 1.976 2.341 1.00 11.54 C ATOM 253 CD1 PHE A 163 12.642 0.909 1.592 1.00 11.65 C ATOM 254 CD2 PHE A 163 12.526 3.248 1.895 1.00 11.83 C ATOM 255 CE1 PHE A 163 13.330 1.102 0.410 1.00 16.18 C ATOM 256 CE2 PHE A 163 13.179 3.450 0.724 1.00 12.63 C ATOM 257 CZ PHE A 163 13.601 2.382 -0.019 1.00 13.64 C ATOM 258 H PHE A 163 8.971 3.098 3.015 1.00 0.00 H ATOM 259 N PRO A 164 9.648 0.099 5.512 1.00 11.12 N ATOM 260 CA PRO A 164 9.043 -0.004 6.847 1.00 11.74 C ATOM 261 C PRO A 164 9.358 1.224 7.675 1.00 12.60 C ATOM 262 O PRO A 164 10.468 1.746 7.653 1.00 13.86 O ATOM 263 CB PRO A 164 9.679 -1.262 7.428 1.00 13.40 C ATOM 264 CG PRO A 164 10.066 -2.090 6.249 1.00 12.59 C ATOM 265 CD PRO A 164 10.448 -1.089 5.169 1.00 11.73 C ATOM 266 N VAL A 165 8.360 1.660 8.449 1.00 15.60 N ATOM 267 CA VAL A 165 8.514 2.799 9.341 1.00 17.98 C ATOM 268 C VAL A 165 9.373 2.395 10.523 1.00 18.38 C ATOM 269 O VAL A 165 9.117 1.367 11.157 1.00 20.58 O ATOM 270 CB VAL A 165 7.128 3.242 9.830 1.00 18.70 C ATOM 271 CG1 VAL A 165 7.244 4.410 10.803 1.00 25.54 C ATOM 272 CG2 VAL A 165 6.217 3.565 8.657 1.00 19.83 C ATOM 273 H VAL A 165 7.444 1.169 8.413 1.00 0.00 H ATOM 274 N THR A 166 10.385 3.201 10.841 1.00 19.58 N ATOM 275 CA THR A 166 11.208 2.944 12.014 1.00 22.28 C ATOM 276 C THR A 166 10.675 3.713 13.213 1.00 23.59 C ATOM 277 O THR A 166 10.120 4.808 13.076 1.00 26.22 O ATOM 278 CB THR A 166 12.662 3.376 11.794 1.00 27.14 C ATOM 279 OG1 THR A 166 12.720 4.797 11.601 1.00 28.08 O ATOM 280 CG2 THR A 166 13.256 2.673 10.586 1.00 27.43 C ATOM 281 HG1 THR A 166 12.359 5.253 12.402 1.00 0.00 H ATOM 282 H THR A 166 10.590 4.026 10.242 1.00 0.00 H ATOM 283 N ASP A 167 10.867 3.130 14.401 1.00 27.62 N ATOM 284 CA ASP A 167 10.517 3.827 15.637 1.00 25.82 C ATOM 285 C ASP A 167 11.323 5.107 15.812 1.00 33.80 C ATOM 286 O ASP A 167 10.864 6.049 16.474 1.00 31.90 O ATOM 287 CB ASP A 167 10.762 2.910 16.830 1.00 29.62 C ATOM 288 CG ASP A 167 9.752 1.788 16.922 1.00 29.01 C ATOM 289 OD1 ASP A 167 8.775 1.799 16.139 1.00 29.26 O ATOM 290 OD2 ASP A 167 9.925 0.904 17.791 1.00 34.17 O ATOM 291 H ASP A 167 11.269 2.172 14.446 1.00 0.00 H ATOM 292 N ALA A 168 12.539 5.147 15.275 1.00 35.56 N ATOM 293 CA ALA A 168 13.319 6.375 15.322 1.00 36.31 C ATOM 294 C ALA A 168 12.578 7.505 14.624 1.00 37.96 C ATOM 295 O ALA A 168 12.509 8.630 15.132 1.00 41.02 O ATOM 296 CB ALA A 168 14.678 6.138 14.667 1.00 40.88 C ATOM 297 H ALA A 168 12.934 4.299 14.820 1.00 0.00 H ATOM 298 N ILE A 169 12.010 7.218 13.452 1.00 27.55 N ATOM 299 CA ILE A 169 11.259 8.230 12.718 1.00 32.70 C ATOM 300 C ILE A 169 9.918 8.482 13.397 1.00 33.24 C ATOM 301 O ILE A 169 9.431 9.621 13.455 1.00 32.49 O ATOM 302 CB ILE A 169 11.092 7.785 11.252 1.00 32.20 C ATOM 303 CG1 ILE A 169 12.451 7.789 10.538 1.00 33.51 C ATOM 304 CG2 ILE A 169 10.081 8.668 10.516 1.00 34.98 C ATOM 305 CD1 ILE A 169 12.434 7.032 9.208 1.00 37.91 C ATOM 306 H ILE A 169 12.104 6.261 13.057 1.00 0.00 H ATOM 307 N ALA A 170 9.309 7.429 13.938 1.00 26.96 N ATOM 308 CA ALA A 170 7.929 7.471 14.417 1.00 23.58 C ATOM 309 C ALA A 170 7.891 6.832 15.794 1.00 24.06 C ATOM 310 O ALA A 170 7.661 5.623 15.922 1.00 24.15 O ATOM 311 CB ALA A 170 7.010 6.729 13.450 1.00 20.88 C ATOM 312 H ALA A 170 9.838 6.538 14.023 1.00 0.00 H ATOM 313 N PRO A 171 8.102 7.607 16.854 1.00 29.78 N ATOM 314 CA PRO A 171 8.230 6.991 18.176 1.00 28.96 C ATOM 315 C PRO A 171 7.031 6.124 18.532 1.00 28.53 C ATOM 316 O PRO A 171 5.881 6.468 18.250 1.00 27.42 O ATOM 317 CB PRO A 171 8.363 8.193 19.117 1.00 31.73 C ATOM 318 CG PRO A 171 9.002 9.244 18.268 1.00 34.04 C ATOM 319 CD PRO A 171 8.420 9.045 16.881 1.00 28.47 C ATOM 320 N GLY A 172 7.320 4.987 19.166 1.00 29.62 N ATOM 321 CA GLY A 172 6.303 4.046 19.585 1.00 29.67 C ATOM 322 C GLY A 172 5.570 3.343 18.468 1.00 26.93 C ATOM 323 O GLY A 172 4.571 2.667 18.740 1.00 26.85 O ATOM 324 H GLY A 172 8.316 4.767 19.368 1.00 0.00 H ATOM 325 N TYR A 173 6.031 3.471 17.221 1.00 25.51 N ATOM 326 CA TYR A 173 5.281 2.908 16.097 1.00 21.89 C ATOM 327 C TYR A 173 5.054 1.417 16.288 1.00 22.07 C ATOM 328 O TYR A 173 3.930 0.922 16.126 1.00 23.80 O ATOM 329 CB TYR A 173 6.004 3.153 14.769 1.00 19.94 C ATOM 330 CG TYR A 173 5.137 2.849 13.556 1.00 18.78 C ATOM 331 CD1 TYR A 173 4.304 3.809 13.037 1.00 19.73 C ATOM 332 CD2 TYR A 173 5.155 1.596 12.948 1.00 18.42 C ATOM 333 CE1 TYR A 173 3.507 3.549 11.936 1.00 18.53 C ATOM 334 CE2 TYR A 173 4.367 1.329 11.844 1.00 17.17 C ATOM 335 CZ TYR A 173 3.542 2.311 11.352 1.00 16.85 C ATOM 336 OH TYR A 173 2.729 2.072 10.260 1.00 17.08 O ATOM 337 HH TYR A 173 2.210 2.889 10.051 1.00 0.00 H ATOM 338 H TYR A 173 6.926 3.972 17.048 1.00 0.00 H ATOM 339 N SER A 174 6.117 0.680 16.626 1.00 23.63 N ATOM 340 CA SER A 174 6.004 -0.764 16.764 1.00 26.20 C ATOM 341 C SER A 174 5.126 -1.162 17.944 1.00 29.87 C ATOM 342 O SER A 174 4.628 -2.291 17.974 1.00 33.64 O ATOM 343 CB SER A 174 7.400 -1.387 16.883 1.00 28.00 C ATOM 344 OG SER A 174 8.115 -0.879 18.004 1.00 32.15 O ATOM 345 HG SER A 174 8.219 0.101 17.911 1.00 0.00 H ATOM 346 H SER A 174 7.033 1.143 16.792 1.00 0.00 H ATOM 347 N MET A 175 4.895 -0.255 18.891 1.00 30.41 N ATOM 348 CA MET A 175 3.976 -0.536 19.990 1.00 31.06 C ATOM 349 C MET A 175 2.523 -0.349 19.579 1.00 31.92 C ATOM 350 O MET A 175 1.632 -0.964 20.172 1.00 37.16 O ATOM 351 CB MET A 175 4.244 0.419 21.151 1.00 32.76 C ATOM 352 CG MET A 175 5.631 0.319 21.744 1.00 37.09 C ATOM 353 SD MET A 175 5.780 -1.068 22.870 1.00 42.04 S ATOM 354 CE MET A 175 4.737 -0.542 24.236 1.00 43.34 C ATOM 355 H MET A 175 5.376 0.666 18.847 1.00 0.00 H ATOM 356 N ILE A 176 2.270 0.506 18.592 1.00 28.18 N ATOM 357 CA ILE A 176 0.921 0.915 18.220 1.00 27.97 C ATOM 358 C ILE A 176 0.384 0.113 17.041 1.00 23.01 C ATOM 359 O ILE A 176 -0.807 -0.194 16.990 1.00 27.02 O ATOM 360 CB ILE A 176 0.930 2.428 17.911 1.00 28.87 C ATOM 361 CG1 ILE A 176 1.159 3.211 19.200 1.00 32.45 C ATOM 362 CG2 ILE A 176 -0.367 2.870 17.224 1.00 27.32 C ATOM 363 CD1 ILE A 176 1.492 4.651 18.976 1.00 34.36 C ATOM 364 H ILE A 176 3.072 0.901 18.061 1.00 0.00 H ATOM 365 N ILE A 177 1.236 -0.215 16.075 1.00 22.28 N ATOM 366 CA ILE A 177 0.831 -0.836 14.824 1.00 20.99 C ATOM 367 C ILE A 177 1.269 -2.290 14.874 1.00 21.64 C ATOM 368 O ILE A 177 2.472 -2.585 14.885 1.00 23.99 O ATOM 369 CB ILE A 177 1.457 -0.092 13.639 1.00 17.67 C ATOM 370 CG1 ILE A 177 0.901 1.334 13.596 1.00 19.22 C ATOM 371 CG2 ILE A 177 1.258 -0.835 12.311 1.00 17.53 C ATOM 372 CD1 ILE A 177 -0.610 1.420 13.403 1.00 17.97 C ATOM 373 H ILE A 177 2.246 -0.017 16.222 1.00 0.00 H ATOM 374 N LYS A 178 0.294 -3.206 14.882 1.00 19.60 N ATOM 375 CA LYS A 178 0.619 -4.613 15.075 1.00 24.73 C ATOM 376 C LYS A 178 1.071 -5.291 13.794 1.00 20.59 C ATOM 377 O LYS A 178 1.846 -6.251 13.852 1.00 21.71 O ATOM 378 CB LYS A 178 -0.575 -5.376 15.653 1.00 28.03 C ATOM 379 H LYS A 178 -0.695 -2.914 14.751 1.00 0.00 H ATOM 380 N HIS A 179 0.612 -4.817 12.631 1.00 16.88 N ATOM 381 CA HIS A 179 0.838 -5.489 11.353 1.00 17.14 C ATOM 382 C HIS A 179 1.365 -4.468 10.352 1.00 14.72 C ATOM 383 O HIS A 179 0.626 -3.990 9.481 1.00 14.22 O ATOM 384 CB HIS A 179 -0.445 -6.150 10.839 1.00 18.76 C ATOM 385 CG HIS A 179 -0.902 -7.296 11.683 1.00 22.78 C ATOM 386 ND1 HIS A 179 -0.194 -8.474 11.778 1.00 25.95 N ATOM 387 CD2 HIS A 179 -1.978 -7.434 12.491 1.00 28.23 C ATOM 388 CE1 HIS A 179 -0.829 -9.299 12.591 1.00 26.38 C ATOM 389 NE2 HIS A 179 -1.911 -8.691 13.041 1.00 28.64 N ATOM 390 H HIS A 179 0.069 -3.930 12.636 1.00 0.00 H ATOM 391 N PRO A 180 2.635 -4.099 10.460 1.00 13.88 N ATOM 392 CA PRO A 180 3.174 -3.062 9.585 1.00 14.46 C ATOM 393 C PRO A 180 3.172 -3.504 8.133 1.00 11.84 C ATOM 394 O PRO A 180 3.275 -4.692 7.806 1.00 14.56 O ATOM 395 CB PRO A 180 4.608 -2.871 10.103 1.00 14.78 C ATOM 396 CG PRO A 180 4.652 -3.477 11.405 1.00 23.74 C ATOM 397 CD PRO A 180 3.643 -4.591 11.409 1.00 17.87 C ATOM 398 N MET A 181 3.103 -2.519 7.239 1.00 10.89 N ATOM 399 CA MET A 181 3.151 -2.786 5.819 1.00 10.58 C ATOM 400 C MET A 181 3.705 -1.551 5.133 1.00 10.66 C ATOM 401 O MET A 181 3.572 -0.427 5.641 1.00 10.90 O ATOM 402 CB MET A 181 1.777 -3.165 5.282 1.00 10.12 C ATOM 403 CG MET A 181 1.732 -3.674 3.846 1.00 10.83 C ATOM 404 SD MET A 181 2.905 -4.961 3.402 1.00 11.94 S ATOM 405 CE MET A 181 2.533 -6.237 4.608 1.00 12.84 C ATOM 406 H MET A 181 3.013 -1.537 7.570 1.00 0.00 H ATOM 407 N ASP A 182 4.285 -1.758 3.947 1.00 8.67 N ATOM 408 CA ASP A 182 4.910 -0.692 3.168 1.00 8.66 C ATOM 409 C ASP A 182 5.106 -1.202 1.743 1.00 9.45 C ATOM 410 O ASP A 182 5.072 -2.413 1.500 1.00 9.65 O ATOM 411 CB ASP A 182 6.259 -0.289 3.748 1.00 9.29 C ATOM 412 CG ASP A 182 7.273 -1.400 3.664 1.00 11.03 C ATOM 413 OD1 ASP A 182 7.236 -2.273 4.562 1.00 13.37 O ATOM 414 OD2 ASP A 182 8.049 -1.436 2.673 1.00 11.69 O ATOM 415 H ASP A 182 4.292 -2.723 3.560 1.00 0.00 H ATOM 416 N PHE A 183 5.352 -0.284 0.819 1.00 8.97 N ATOM 417 CA PHE A 183 5.462 -0.657 -0.587 1.00 7.10 C ATOM 418 C PHE A 183 6.639 -1.578 -0.840 1.00 8.89 C ATOM 419 O PHE A 183 6.591 -2.402 -1.762 1.00 10.11 O ATOM 420 CB PHE A 183 5.624 0.578 -1.481 1.00 8.82 C ATOM 421 CG PHE A 183 4.365 1.394 -1.700 1.00 8.23 C ATOM 422 CD1 PHE A 183 3.151 0.828 -2.082 1.00 9.18 C ATOM 423 CD2 PHE A 183 4.453 2.787 -1.606 1.00 10.05 C ATOM 424 CE1 PHE A 183 2.061 1.643 -2.324 1.00 11.22 C ATOM 425 CE2 PHE A 183 3.358 3.589 -1.874 1.00 10.42 C ATOM 426 CZ PHE A 183 2.184 3.019 -2.244 1.00 9.48 C ATOM 427 H PHE A 183 5.468 0.711 1.099 1.00 0.00 H ATOM 428 N GLY A 184 7.734 -1.429 -0.094 1.00 9.82 N ATOM 429 CA GLY A 184 8.873 -2.289 -0.341 1.00 11.57 C ATOM 430 C GLY A 184 8.591 -3.724 0.045 1.00 10.59 C ATOM 431 O GLY A 184 8.990 -4.656 -0.660 1.00 11.81 O ATOM 432 H GLY A 184 7.770 -0.707 0.653 1.00 0.00 H ATOM 433 N THR A 185 7.940 -3.912 1.192 1.00 10.39 N ATOM 434 CA THR A 185 7.506 -5.237 1.614 1.00 10.90 C ATOM 435 C THR A 185 6.551 -5.818 0.583 1.00 12.24 C ATOM 436 O THR A 185 6.631 -7.003 0.250 1.00 13.46 O ATOM 437 CB THR A 185 6.853 -5.137 2.994 1.00 13.68 C ATOM 438 OG1 THR A 185 7.835 -4.656 3.917 1.00 16.35 O ATOM 439 CG2 THR A 185 6.303 -6.493 3.464 1.00 16.96 C ATOM 440 HG1 THR A 185 8.597 -5.287 3.945 1.00 0.00 H ATOM 441 H THR A 185 7.737 -3.093 1.801 1.00 0.00 H ATOM 442 N MET A 186 5.657 -4.989 0.040 1.00 9.49 N ATOM 443 CA MET A 186 4.734 -5.465 -0.980 1.00 10.42 C ATOM 444 C MET A 186 5.476 -5.909 -2.224 1.00 11.53 C ATOM 445 O MET A 186 5.166 -6.956 -2.806 1.00 10.83 O ATOM 446 CB MET A 186 3.721 -4.376 -1.318 1.00 9.69 C ATOM 447 CG MET A 186 2.772 -4.086 -0.166 1.00 8.85 C ATOM 448 SD MET A 186 1.665 -2.715 -0.415 1.00 13.04 S ATOM 449 CE MET A 186 0.724 -3.244 -1.795 1.00 20.95 C ATOM 450 H MET A 186 5.620 -3.996 0.348 1.00 0.00 H ATOM 451 N LYS A 187 6.470 -5.139 -2.657 1.00 9.59 N ATOM 452 CA LYS A 187 7.247 -5.554 -3.828 1.00 9.99 C ATOM 453 C LYS A 187 7.891 -6.911 -3.591 1.00 11.22 C ATOM 454 O LYS A 187 7.894 -7.783 -4.467 1.00 12.83 O ATOM 455 CB LYS A 187 8.347 -4.524 -4.085 1.00 10.57 C ATOM 456 CG LYS A 187 9.351 -4.889 -5.162 1.00 15.84 C ATOM 457 CD LYS A 187 8.740 -5.024 -6.517 1.00 24.57 C ATOM 458 CE LYS A 187 9.812 -5.181 -7.577 1.00 27.58 C ATOM 459 NZ LYS A 187 9.968 -3.927 -8.369 1.00 36.02 N ATOM 460 HZ1 LYS A 187 9.067 -3.699 -8.836 1.00 0.00 H ATOM 461 HZ2 LYS A 187 10.237 -3.149 -7.734 1.00 0.00 H ATOM 462 HZ3 LYS A 187 10.708 -4.062 -9.087 1.00 0.00 H ATOM 463 H LYS A 187 6.694 -4.249 -2.168 1.00 0.00 H ATOM 464 N ASP A 188 8.479 -7.091 -2.412 1.00 11.73 N ATOM 465 CA ASP A 188 9.149 -8.351 -2.116 1.00 12.96 C ATOM 466 C ASP A 188 8.157 -9.507 -2.120 1.00 14.31 C ATOM 467 O ASP A 188 8.483 -10.623 -2.550 1.00 15.91 O ATOM 468 CB ASP A 188 9.857 -8.248 -0.764 1.00 15.14 C ATOM 469 CG ASP A 188 11.086 -7.361 -0.804 1.00 22.46 C ATOM 470 OD1 ASP A 188 11.636 -7.148 -1.915 1.00 22.93 O ATOM 471 OD2 ASP A 188 11.525 -6.911 0.291 1.00 25.31 O ATOM 472 H ASP A 188 8.461 -6.332 -1.701 1.00 0.00 H ATOM 473 N LYS A 189 6.936 -9.254 -1.667 1.00 14.10 N ATOM 474 CA LYS A 189 5.920 -10.296 -1.682 1.00 13.16 C ATOM 475 C LYS A 189 5.492 -10.624 -3.102 1.00 14.46 C ATOM 476 O LYS A 189 5.245 -11.798 -3.411 1.00 16.61 O ATOM 477 CB LYS A 189 4.722 -9.891 -0.838 1.00 13.75 C ATOM 478 CG LYS A 189 4.983 -9.931 0.662 1.00 14.76 C ATOM 479 CD LYS A 189 3.793 -9.531 1.519 1.00 16.15 C ATOM 480 CE LYS A 189 2.636 -10.503 1.468 1.00 16.88 C ATOM 481 NZ LYS A 189 1.651 -10.147 2.540 1.00 20.58 N ATOM 482 HZ1 LYS A 189 2.116 -10.203 3.469 1.00 0.00 H ATOM 483 HZ2 LYS A 189 1.304 -9.179 2.383 1.00 0.00 H ATOM 484 HZ3 LYS A 189 0.852 -10.812 2.510 1.00 0.00 H ATOM 485 H LYS A 189 6.704 -8.309 -1.300 1.00 0.00 H ATOM 486 N ILE A 190 5.421 -9.624 -3.992 1.00 13.14 N ATOM 487 CA ILE A 190 5.171 -9.936 -5.400 1.00 15.10 C ATOM 488 C ILE A 190 6.273 -10.848 -5.925 1.00 19.91 C ATOM 489 O ILE A 190 6.012 -11.916 -6.483 1.00 19.57 O ATOM 490 CB ILE A 190 5.053 -8.664 -6.265 1.00 13.50 C ATOM 491 CG1 ILE A 190 3.872 -7.777 -5.859 1.00 11.89 C ATOM 492 CG2 ILE A 190 4.909 -9.069 -7.739 1.00 18.04 C ATOM 493 CD1 ILE A 190 3.904 -6.394 -6.539 1.00 13.78 C ATOM 494 H ILE A 190 5.542 -8.638 -3.685 1.00 0.00 H ATOM 495 N VAL A 191 7.532 -10.433 -5.754 1.00 16.66 N ATOM 496 CA VAL A 191 8.655 -11.199 -6.294 1.00 17.67 C ATOM 497 C VAL A 191 8.691 -12.614 -5.722 1.00 18.60 C ATOM 498 O VAL A 191 9.080 -13.564 -6.414 1.00 24.26 O ATOM 499 CB VAL A 191 9.970 -10.429 -6.047 1.00 18.09 C ATOM 500 CG1 VAL A 191 11.189 -11.276 -6.323 1.00 21.66 C ATOM 501 CG2 VAL A 191 9.990 -9.157 -6.877 1.00 21.29 C ATOM 502 H VAL A 191 7.716 -9.554 -5.230 1.00 0.00 H ATOM 503 N ALA A 192 8.338 -12.773 -4.448 1.00 18.38 N ATOM 504 CA ALA A 192 8.306 -14.090 -3.824 1.00 19.84 C ATOM 505 C ALA A 192 7.070 -14.889 -4.213 1.00 24.01 C ATOM 506 O ALA A 192 6.924 -16.040 -3.766 1.00 26.58 O ATOM 507 CB ALA A 192 8.375 -13.946 -2.299 1.00 23.36 C ATOM 508 H ALA A 192 8.079 -11.938 -3.885 1.00 0.00 H ATOM 509 N ASN A 193 6.206 -14.326 -5.056 1.00 24.46 N ATOM 510 CA ASN A 193 4.956 -14.962 -5.478 1.00 27.17 C ATOM 511 C ASN A 193 4.068 -15.314 -4.287 1.00 28.88 C ATOM 512 O ASN A 193 3.457 -16.380 -4.229 1.00 27.54 O ATOM 513 CB ASN A 193 5.189 -16.169 -6.390 1.00 29.90 C ATOM 514 CG ASN A 193 4.010 -16.427 -7.305 1.00 33.89 C ATOM 515 OD1 ASN A 193 3.264 -15.496 -7.658 1.00 38.67 O ATOM 516 ND2 ASN A 193 3.819 -17.682 -7.681 1.00 38.27 N ATOM 517 HD22 ASN A 193 4.471 -18.426 -7.359 1.00 0.00 H ATOM 518 HD21 ASN A 193 3.017 -17.924 -8.298 1.00 0.00 H ATOM 519 H ASN A 193 6.431 -13.384 -5.435 1.00 0.00 H ATOM 520 N GLU A 194 3.968 -14.394 -3.343 1.00 21.77 N ATOM 521 CA GLU A 194 3.158 -14.594 -2.152 1.00 19.62 C ATOM 522 C GLU A 194 1.718 -14.111 -2.310 1.00 19.08 C ATOM 523 O GLU A 194 0.865 -14.484 -1.492 1.00 25.24 O ATOM 524 CB GLU A 194 3.790 -13.889 -0.949 1.00 23.40 C ATOM 525 CG GLU A 194 5.065 -14.536 -0.378 1.00 30.10 C ATOM 526 CD GLU A 194 5.655 -13.678 0.739 1.00 33.44 C ATOM 527 OE1 GLU A 194 4.939 -13.410 1.739 1.00 36.59 O ATOM 528 OE2 GLU A 194 6.807 -13.220 0.596 1.00 36.29 O ATOM 529 H GLU A 194 4.485 -13.499 -3.456 1.00 0.00 H ATOM 530 N TYR A 195 1.412 -13.301 -3.327 1.00 17.90 N ATOM 531 CA TYR A 195 0.045 -12.855 -3.590 1.00 15.66 C ATOM 532 C TYR A 195 -0.557 -13.780 -4.629 1.00 17.39 C ATOM 533 O TYR A 195 0.012 -13.952 -5.715 1.00 24.41 O ATOM 534 CB TYR A 195 0.004 -11.428 -4.142 1.00 14.82 C ATOM 535 CG TYR A 195 0.448 -10.368 -3.174 1.00 12.46 C ATOM 536 CD1 TYR A 195 -0.232 -10.136 -1.992 1.00 13.67 C ATOM 537 CD2 TYR A 195 1.529 -9.546 -3.473 1.00 12.53 C ATOM 538 CE1 TYR A 195 0.166 -9.151 -1.121 1.00 12.07 C ATOM 539 CE2 TYR A 195 1.938 -8.575 -2.609 1.00 13.93 C ATOM 540 CZ TYR A 195 1.266 -8.368 -1.443 1.00 12.86 C ATOM 541 OH TYR A 195 1.688 -7.394 -0.597 1.00 12.97 O ATOM 542 HH TYR A 195 1.099 -7.371 0.198 1.00 0.00 H ATOM 543 H TYR A 195 2.174 -12.976 -3.955 1.00 0.00 H ATOM 544 N LYS A 196 -1.691 -14.405 -4.295 1.00 18.36 N ATOM 545 CA LYS A 196 -2.361 -15.293 -5.228 1.00 20.31 C ATOM 546 C LYS A 196 -3.620 -14.694 -5.831 1.00 20.12 C ATOM 547 O LYS A 196 -4.263 -15.348 -6.665 1.00 22.80 O ATOM 548 CB LYS A 196 -2.705 -16.606 -4.530 1.00 22.25 C ATOM 549 CG LYS A 196 -1.513 -17.255 -3.893 1.00 23.89 C ATOM 550 CD LYS A 196 -0.469 -17.650 -4.901 1.00 23.83 C ATOM 551 CE LYS A 196 0.648 -18.425 -4.221 1.00 25.05 C ATOM 552 NZ LYS A 196 1.777 -18.683 -5.138 1.00 34.00 N ATOM 553 HZ1 LYS A 196 1.442 -19.239 -5.951 1.00 0.00 H ATOM 554 HZ2 LYS A 196 2.165 -17.778 -5.472 1.00 0.00 H ATOM 555 HZ3 LYS A 196 2.517 -19.213 -4.635 1.00 0.00 H ATOM 556 H LYS A 196 -2.100 -14.252 -3.351 1.00 0.00 H ATOM 557 N SER A 197 -3.985 -13.479 -5.429 1.00 18.29 N ATOM 558 CA SER A 197 -5.141 -12.789 -5.976 1.00 19.44 C ATOM 559 C SER A 197 -4.901 -11.297 -5.847 1.00 16.16 C ATOM 560 O SER A 197 -4.113 -10.829 -5.015 1.00 16.18 O ATOM 561 CB SER A 197 -6.426 -13.163 -5.239 1.00 18.99 C ATOM 562 OG SER A 197 -6.350 -12.689 -3.912 1.00 20.46 O ATOM 563 HG SER A 197 -6.244 -11.705 -3.920 1.00 0.00 H ATOM 564 H SER A 197 -3.421 -13.005 -4.695 1.00 0.00 H ATOM 565 N VAL A 198 -5.593 -10.538 -6.691 1.00 16.25 N ATOM 566 CA VAL A 198 -5.588 -9.092 -6.537 1.00 15.40 C ATOM 567 C VAL A 198 -6.186 -8.698 -5.189 1.00 13.82 C ATOM 568 O VAL A 198 -5.749 -7.719 -4.573 1.00 13.13 O ATOM 569 CB VAL A 198 -6.337 -8.469 -7.737 1.00 17.14 C ATOM 570 CG1 VAL A 198 -6.485 -6.982 -7.573 1.00 22.03 C ATOM 571 CG2 VAL A 198 -5.606 -8.786 -9.039 1.00 20.61 C ATOM 572 H VAL A 198 -6.137 -10.978 -7.460 1.00 0.00 H ATOM 573 N THR A 199 -7.181 -9.453 -4.705 1.00 14.91 N ATOM 574 CA THR A 199 -7.780 -9.165 -3.404 1.00 15.15 C ATOM 575 C THR A 199 -6.725 -9.122 -2.304 1.00 17.16 C ATOM 576 O THR A 199 -6.739 -8.221 -1.454 1.00 14.20 O ATOM 577 CB THR A 199 -8.864 -10.196 -3.104 1.00 18.42 C ATOM 578 OG1 THR A 199 -9.894 -10.099 -4.094 1.00 25.07 O ATOM 579 CG2 THR A 199 -9.472 -9.964 -1.753 1.00 20.93 C ATOM 580 HG1 THR A 199 -9.508 -10.273 -4.989 1.00 0.00 H ATOM 581 H THR A 199 -7.532 -10.257 -5.264 1.00 0.00 H ATOM 582 N GLU A 200 -5.796 -10.079 -2.308 1.00 13.77 N ATOM 583 CA GLU A 200 -4.747 -10.107 -1.286 1.00 13.09 C ATOM 584 C GLU A 200 -3.834 -8.889 -1.372 1.00 12.06 C ATOM 585 O GLU A 200 -3.428 -8.334 -0.344 1.00 11.80 O ATOM 586 CB GLU A 200 -3.937 -11.400 -1.404 1.00 14.23 C ATOM 587 CG GLU A 200 -4.745 -12.638 -1.087 1.00 16.09 C ATOM 588 CD GLU A 200 -4.004 -13.900 -1.385 1.00 17.57 C ATOM 589 OE1 GLU A 200 -2.837 -13.838 -1.794 1.00 17.16 O ATOM 590 OE2 GLU A 200 -4.596 -14.968 -1.164 1.00 19.39 O ATOM 591 H GLU A 200 -5.817 -10.813 -3.044 1.00 0.00 H ATOM 592 N PHE A 201 -3.489 -8.468 -2.585 1.00 11.59 N ATOM 593 CA PHE A 201 -2.636 -7.297 -2.769 1.00 9.99 C ATOM 594 C PHE A 201 -3.343 -6.038 -2.288 1.00 9.95 C ATOM 595 O PHE A 201 -2.760 -5.231 -1.548 1.00 10.17 O ATOM 596 CB PHE A 201 -2.275 -7.190 -4.255 1.00 11.74 C ATOM 597 CG PHE A 201 -1.485 -5.970 -4.605 1.00 9.44 C ATOM 598 CD1 PHE A 201 -0.109 -5.952 -4.469 1.00 11.99 C ATOM 599 CD2 PHE A 201 -2.127 -4.830 -5.067 1.00 10.61 C ATOM 600 CE1 PHE A 201 0.620 -4.824 -4.801 1.00 12.13 C ATOM 601 CE2 PHE A 201 -1.401 -3.694 -5.417 1.00 13.48 C ATOM 602 CZ PHE A 201 -0.040 -3.688 -5.274 1.00 11.94 C ATOM 603 H PHE A 201 -3.834 -8.983 -3.420 1.00 0.00 H ATOM 604 N LYS A 202 -4.614 -5.878 -2.671 1.00 9.74 N ATOM 605 CA LYS A 202 -5.385 -4.719 -2.233 1.00 10.41 C ATOM 606 C LYS A 202 -5.479 -4.659 -0.716 1.00 10.33 C ATOM 607 O LYS A 202 -5.442 -3.578 -0.122 1.00 11.02 O ATOM 608 CB LYS A 202 -6.781 -4.748 -2.848 1.00 12.52 C ATOM 609 CG LYS A 202 -6.790 -4.439 -4.347 1.00 13.29 C ATOM 610 CD LYS A 202 -8.138 -4.737 -5.010 1.00 22.23 C ATOM 611 CE LYS A 202 -9.291 -3.887 -4.491 1.00 27.76 C ATOM 612 NZ LYS A 202 -10.649 -4.411 -4.892 1.00 31.18 N ATOM 613 HZ1 LYS A 202 -10.718 -4.433 -5.929 1.00 0.00 H ATOM 614 HZ2 LYS A 202 -10.774 -5.372 -4.515 1.00 0.00 H ATOM 615 HZ3 LYS A 202 -11.387 -3.788 -4.507 1.00 0.00 H ATOM 616 H LYS A 202 -5.058 -6.588 -3.288 1.00 0.00 H ATOM 617 N ALA A 203 -5.590 -5.812 -0.067 1.00 10.42 N ATOM 618 CA ALA A 203 -5.682 -5.828 1.387 1.00 11.05 C ATOM 619 C ALA A 203 -4.403 -5.312 2.031 1.00 11.02 C ATOM 620 O ALA A 203 -4.461 -4.601 3.037 1.00 10.74 O ATOM 621 CB ALA A 203 -6.007 -7.242 1.862 1.00 12.67 C ATOM 622 H ALA A 203 -5.611 -6.706 -0.598 1.00 0.00 H ATOM 623 N ASP A 204 -3.238 -5.682 1.494 1.00 9.57 N ATOM 624 CA ASP A 204 -1.983 -5.129 2.005 1.00 8.26 C ATOM 625 C ASP A 204 -1.877 -3.633 1.747 1.00 9.74 C ATOM 626 O ASP A 204 -1.393 -2.897 2.611 1.00 9.68 O ATOM 627 CB ASP A 204 -0.768 -5.855 1.414 1.00 9.70 C ATOM 628 CG ASP A 204 -0.271 -7.017 2.278 1.00 11.87 C ATOM 629 OD1 ASP A 204 -0.728 -7.206 3.409 1.00 13.79 O ATOM 630 OD2 ASP A 204 0.632 -7.725 1.800 1.00 14.04 O ATOM 631 H ASP A 204 -3.222 -6.365 0.710 1.00 0.00 H ATOM 632 N PHE A 205 -2.279 -3.167 0.560 1.00 8.00 N ATOM 633 CA PHE A 205 -2.293 -1.730 0.310 1.00 8.60 C ATOM 634 C PHE A 205 -3.177 -1.013 1.327 1.00 8.97 C ATOM 635 O PHE A 205 -2.784 0.012 1.907 1.00 8.21 O ATOM 636 CB PHE A 205 -2.758 -1.425 -1.109 1.00 8.39 C ATOM 637 CG PHE A 205 -2.815 0.047 -1.413 1.00 8.28 C ATOM 638 CD1 PHE A 205 -1.681 0.843 -1.263 1.00 9.06 C ATOM 639 CD2 PHE A 205 -4.005 0.644 -1.810 1.00 10.67 C ATOM 640 CE1 PHE A 205 -1.729 2.224 -1.537 1.00 10.02 C ATOM 641 CE2 PHE A 205 -4.043 2.026 -2.109 1.00 9.38 C ATOM 642 CZ PHE A 205 -2.919 2.802 -1.937 1.00 9.92 C ATOM 643 H PHE A 205 -2.581 -3.828 -0.184 1.00 0.00 H ATOM 644 N LYS A 206 -4.378 -1.538 1.561 1.00 7.54 N ATOM 645 CA LYS A 206 -5.272 -0.906 2.525 1.00 8.05 C ATOM 646 C LYS A 206 -4.662 -0.924 3.922 1.00 9.52 C ATOM 647 O LYS A 206 -4.829 0.033 4.685 1.00 11.02 O ATOM 648 CB LYS A 206 -6.646 -1.588 2.485 1.00 10.43 C ATOM 649 CG LYS A 206 -7.677 -0.975 3.443 1.00 10.15 C ATOM 650 CD LYS A 206 -9.047 -1.478 3.185 1.00 13.23 C ATOM 651 CE LYS A 206 -10.026 -0.739 4.051 1.00 16.10 C ATOM 652 NZ LYS A 206 -9.884 -1.073 5.483 1.00 15.10 N ATOM 653 HZ1 LYS A 206 -10.044 -2.092 5.618 1.00 0.00 H ATOM 654 HZ2 LYS A 206 -8.925 -0.826 5.802 1.00 0.00 H ATOM 655 HZ3 LYS A 206 -10.583 -0.535 6.034 1.00 0.00 H ATOM 656 H LYS A 206 -4.678 -2.397 1.057 1.00 0.00 H ATOM 657 N LEU A 207 -4.029 -2.039 4.303 1.00 10.04 N ATOM 658 CA LEU A 207 -3.387 -2.140 5.610 1.00 9.82 C ATOM 659 C LEU A 207 -2.336 -1.046 5.796 1.00 8.44 C ATOM 660 O LEU A 207 -2.282 -0.403 6.848 1.00 9.44 O ATOM 661 CB LEU A 207 -2.775 -3.531 5.747 1.00 11.24 C ATOM 662 CG LEU A 207 -1.909 -3.783 6.968 1.00 10.78 C ATOM 663 CD1 LEU A 207 -2.668 -3.593 8.237 1.00 12.32 C ATOM 664 CD2 LEU A 207 -1.321 -5.176 6.878 1.00 12.23 C ATOM 665 H LEU A 207 -3.993 -2.851 3.654 1.00 0.00 H ATOM 666 N MET A 208 -1.504 -0.830 4.780 1.00 9.04 N ATOM 667 CA MET A 208 -0.493 0.221 4.834 1.00 8.38 C ATOM 668 C MET A 208 -1.139 1.573 5.107 1.00 10.14 C ATOM 669 O MET A 208 -0.691 2.340 5.956 1.00 10.18 O ATOM 670 CB MET A 208 0.225 0.241 3.479 1.00 10.43 C ATOM 671 CG MET A 208 1.391 1.168 3.365 1.00 11.62 C ATOM 672 SD MET A 208 2.007 1.159 1.685 1.00 12.60 S ATOM 673 CE MET A 208 0.903 2.362 0.992 1.00 9.12 C ATOM 674 H MET A 208 -1.576 -1.423 3.929 1.00 0.00 H ATOM 675 N CYS A 209 -2.206 1.875 4.378 1.00 8.21 N ATOM 676 CA CYS A 209 -2.867 3.160 4.525 1.00 9.46 C ATOM 677 C CYS A 209 -3.571 3.266 5.863 1.00 10.76 C ATOM 678 O CYS A 209 -3.527 4.325 6.502 1.00 12.43 O ATOM 679 CB CYS A 209 -3.859 3.376 3.381 1.00 9.63 C ATOM 680 SG CYS A 209 -3.085 3.504 1.731 1.00 9.79 S ATOM 681 H CYS A 209 -2.573 1.184 3.693 1.00 0.00 H ATOM 682 N ASP A 210 -4.257 2.196 6.288 1.00 9.31 N ATOM 683 CA ASP A 210 -4.947 2.206 7.579 1.00 10.55 C ATOM 684 C ASP A 210 -3.959 2.397 8.714 1.00 11.16 C ATOM 685 O ASP A 210 -4.243 3.117 9.680 1.00 13.08 O ATOM 686 CB ASP A 210 -5.744 0.915 7.791 1.00 11.00 C ATOM 687 CG ASP A 210 -6.988 0.827 6.907 1.00 12.63 C ATOM 688 OD1 ASP A 210 -7.445 1.864 6.407 1.00 15.98 O ATOM 689 OD2 ASP A 210 -7.566 -0.278 6.793 1.00 14.64 O ATOM 690 H ASP A 210 -4.300 1.345 5.691 1.00 0.00 H ATOM 691 N ASN A 211 -2.787 1.759 8.622 1.00 11.81 N ATOM 692 CA ASN A 211 -1.781 1.930 9.669 1.00 11.94 C ATOM 693 C ASN A 211 -1.370 3.393 9.771 1.00 12.17 C ATOM 694 O ASN A 211 -1.242 3.930 10.872 1.00 14.25 O ATOM 695 CB ASN A 211 -0.534 1.093 9.383 1.00 11.17 C ATOM 696 CG ASN A 211 -0.740 -0.402 9.568 1.00 12.68 C ATOM 697 OD1 ASN A 211 -1.661 -0.870 10.236 1.00 13.92 O ATOM 698 ND2 ASN A 211 0.174 -1.163 8.980 1.00 12.12 N ATOM 699 HD22 ASN A 211 0.936 -0.725 8.424 1.00 0.00 H ATOM 700 HD21 ASN A 211 0.128 -2.198 9.075 1.00 0.00 H ATOM 701 H ASN A 211 -2.592 1.143 7.807 1.00 0.00 H ATOM 702 N ALA A 212 -1.159 4.046 8.632 1.00 11.34 N ATOM 703 CA ALA A 212 -0.754 5.448 8.633 1.00 12.53 C ATOM 704 C ALA A 212 -1.850 6.325 9.201 1.00 14.18 C ATOM 705 O ALA A 212 -1.570 7.306 9.896 1.00 16.79 O ATOM 706 CB ALA A 212 -0.415 5.880 7.211 1.00 13.52 C ATOM 707 H ALA A 212 -1.285 3.550 7.727 1.00 0.00 H ATOM 708 N MET A 213 -3.112 5.978 8.945 1.00 13.42 N ATOM 709 CA MET A 213 -4.214 6.759 9.486 1.00 15.87 C ATOM 710 C MET A 213 -4.484 6.437 10.952 1.00 18.52 C ATOM 711 O MET A 213 -5.184 7.203 11.618 1.00 24.24 O ATOM 712 CB MET A 213 -5.465 6.550 8.624 1.00 15.65 C ATOM 713 CG MET A 213 -5.314 7.140 7.218 1.00 13.89 C ATOM 714 SD MET A 213 -6.655 6.834 6.032 1.00 13.87 S ATOM 715 CE MET A 213 -8.044 7.683 6.808 1.00 14.65 C ATOM 716 H MET A 213 -3.310 5.144 8.355 1.00 0.00 H ATOM 717 N THR A 214 -3.962 5.326 11.464 1.00 18.32 N ATOM 718 CA THR A 214 -4.090 5.027 12.879 1.00 17.43 C ATOM 719 C THR A 214 -3.000 5.723 13.675 1.00 22.13 C ATOM 720 O THR A 214 -3.260 6.263 14.758 1.00 22.58 O ATOM 721 CB THR A 214 -4.005 3.515 13.096 1.00 22.88 C ATOM 722 OG1 THR A 214 -5.125 2.885 12.467 1.00 26.32 O ATOM 723 CG2 THR A 214 -3.993 3.161 14.581 1.00 24.44 C ATOM 724 HG1 THR A 214 -5.112 3.083 11.497 1.00 0.00 H ATOM 725 H THR A 214 -3.456 4.663 10.843 1.00 0.00 H ATOM 726 N TYR A 215 -1.774 5.706 13.157 1.00 18.43 N ATOM 727 CA TYR A 215 -0.633 6.214 13.909 1.00 19.65 C ATOM 728 C TYR A 215 -0.530 7.735 13.844 1.00 23.08 C ATOM 729 O TYR A 215 -0.267 8.384 14.860 1.00 24.55 O ATOM 730 CB TYR A 215 0.674 5.574 13.420 1.00 21.33 C ATOM 731 CG TYR A 215 1.865 6.195 14.095 1.00 20.12 C ATOM 732 CD1 TYR A 215 2.295 5.734 15.327 1.00 24.05 C ATOM 733 CD2 TYR A 215 2.549 7.245 13.507 1.00 20.78 C ATOM 734 CE1 TYR A 215 3.368 6.320 15.985 1.00 22.00 C ATOM 735 CE2 TYR A 215 3.624 7.843 14.159 1.00 22.37 C ATOM 736 CZ TYR A 215 4.031 7.366 15.383 1.00 24.87 C ATOM 737 OH TYR A 215 5.105 7.944 16.019 1.00 25.19 O ATOM 738 HH TYR A 215 5.263 7.484 16.882 1.00 0.00 H ATOM 739 H TYR A 215 -1.628 5.324 12.201 1.00 0.00 H ATOM 740 N ASN A 216 -0.672 8.315 12.659 1.00 20.16 N ATOM 741 CA ASN A 216 -0.470 9.746 12.504 1.00 21.48 C ATOM 742 C ASN A 216 -1.767 10.494 12.760 1.00 24.63 C ATOM 743 O ASN A 216 -2.850 10.007 12.441 1.00 23.00 O ATOM 744 CB ASN A 216 0.013 10.040 11.095 1.00 21.30 C ATOM 745 CG ASN A 216 1.287 9.300 10.763 1.00 20.49 C ATOM 746 OD1 ASN A 216 2.380 9.690 11.177 1.00 22.29 O ATOM 747 ND2 ASN A 216 1.153 8.214 10.019 1.00 16.70 N ATOM 748 HD22 ASN A 216 0.210 7.921 9.691 1.00 0.00 H ATOM 749 HD21 ASN A 216 1.990 7.653 9.762 1.00 0.00 H ATOM 750 H ASN A 216 -0.931 7.739 11.832 1.00 0.00 H ATOM 751 N ARG A 217 -1.644 11.686 13.343 1.00 24.36 N ATOM 752 CA ARG A 217 -2.807 12.516 13.606 1.00 26.91 C ATOM 753 C ARG A 217 -3.386 13.048 12.294 1.00 26.49 C ATOM 754 O ARG A 217 -2.660 13.203 11.307 1.00 24.05 O ATOM 755 CB ARG A 217 -2.431 13.686 14.513 1.00 31.27 C ATOM 756 CG ARG A 217 -2.137 13.285 15.951 1.00 35.33 C ATOM 757 H ARG A 217 -0.700 12.028 13.614 1.00 0.00 H ATOM 758 N PRO A 218 -4.701 13.312 12.251 1.00 26.83 N ATOM 759 CA PRO A 218 -5.325 13.739 10.983 1.00 26.90 C ATOM 760 C PRO A 218 -4.709 14.975 10.347 1.00 27.55 C ATOM 761 O PRO A 218 -4.790 15.120 9.121 1.00 29.45 O ATOM 762 CB PRO A 218 -6.788 13.977 11.371 1.00 27.46 C ATOM 763 CG PRO A 218 -7.019 13.081 12.537 1.00 31.77 C ATOM 764 CD PRO A 218 -5.714 13.073 13.299 1.00 29.59 C ATOM 765 N ASP A 219 -4.094 15.865 11.118 1.00 30.63 N ATOM 766 CA ASP A 219 -3.572 17.107 10.565 1.00 32.18 C ATOM 767 C ASP A 219 -2.162 16.965 10.009 1.00 35.03 C ATOM 768 O ASP A 219 -1.527 17.978 9.695 1.00 38.29 O ATOM 769 CB ASP A 219 -3.639 18.232 11.611 1.00 37.80 C ATOM 770 CG ASP A 219 -2.660 18.043 12.759 1.00 42.13 C ATOM 771 OD1 ASP A 219 -2.263 16.894 13.036 1.00 44.82 O ATOM 772 OD2 ASP A 219 -2.298 19.055 13.403 1.00 47.21 O ATOM 773 H ASP A 219 -3.983 15.672 12.134 1.00 0.00 H ATOM 774 N THR A 220 -1.671 15.744 9.852 1.00 28.05 N ATOM 775 CA THR A 220 -0.310 15.521 9.402 1.00 24.72 C ATOM 776 C THR A 220 -0.265 15.169 7.917 1.00 21.95 C ATOM 777 O THR A 220 -1.213 14.630 7.345 1.00 20.58 O ATOM 778 CB THR A 220 0.362 14.411 10.209 1.00 25.92 C ATOM 779 OG1 THR A 220 -0.277 13.159 9.934 1.00 22.23 O ATOM 780 CG2 THR A 220 0.268 14.701 11.703 1.00 29.19 C ATOM 781 HG1 THR A 220 -1.233 13.215 10.185 1.00 0.00 H ATOM 782 H THR A 220 -2.277 14.924 10.057 1.00 0.00 H ATOM 783 N VAL A 221 0.867 15.483 7.297 1.00 23.99 N ATOM 784 CA VAL A 221 1.067 15.172 5.884 1.00 19.31 C ATOM 785 C VAL A 221 0.908 13.669 5.627 1.00 19.76 C ATOM 786 O VAL A 221 0.388 13.243 4.583 1.00 17.87 O ATOM 787 CB VAL A 221 2.448 15.721 5.467 1.00 24.71 C ATOM 788 CG1 VAL A 221 2.895 15.169 4.185 1.00 28.82 C ATOM 789 CG2 VAL A 221 2.392 17.243 5.368 1.00 29.28 C ATOM 790 H VAL A 221 1.625 15.959 7.827 1.00 0.00 H ATOM 791 N TYR A 222 1.345 12.842 6.573 1.00 18.08 N ATOM 792 CA TYR A 222 1.314 11.398 6.376 1.00 16.66 C ATOM 793 C TYR A 222 -0.110 10.861 6.376 1.00 17.98 C ATOM 794 O TYR A 222 -0.469 10.036 5.532 1.00 15.94 O ATOM 795 CB TYR A 222 2.154 10.733 7.456 1.00 17.49 C ATOM 796 CG TYR A 222 3.470 11.446 7.597 1.00 19.44 C ATOM 797 CD1 TYR A 222 4.428 11.347 6.599 1.00 20.39 C ATOM 798 CD2 TYR A 222 3.732 12.268 8.678 1.00 23.58 C ATOM 799 CE1 TYR A 222 5.621 12.016 6.699 1.00 22.61 C ATOM 800 CE2 TYR A 222 4.940 12.941 8.789 1.00 23.40 C ATOM 801 CZ TYR A 222 5.869 12.820 7.785 1.00 26.33 C ATOM 802 OH TYR A 222 7.070 13.491 7.881 1.00 31.66 O ATOM 803 HH TYR A 222 7.620 13.297 7.081 1.00 0.00 H ATOM 804 H TYR A 222 1.713 13.231 7.464 1.00 0.00 H ATOM 805 N TYR A 223 -0.926 11.305 7.333 1.00 16.32 N ATOM 806 CA TYR A 223 -2.330 10.916 7.354 1.00 15.52 C ATOM 807 C TYR A 223 -3.038 11.355 6.083 1.00 15.99 C ATOM 808 O TYR A 223 -3.742 10.561 5.452 1.00 14.97 O ATOM 809 CB TYR A 223 -2.999 11.530 8.578 1.00 16.47 C ATOM 810 CG TYR A 223 -4.464 11.158 8.772 1.00 18.00 C ATOM 811 CD1 TYR A 223 -5.469 11.730 7.994 1.00 21.40 C ATOM 812 CD2 TYR A 223 -4.848 10.289 9.782 1.00 18.81 C ATOM 813 CE1 TYR A 223 -6.809 11.397 8.197 1.00 21.11 C ATOM 814 CE2 TYR A 223 -6.169 9.951 9.983 1.00 22.03 C ATOM 815 CZ TYR A 223 -7.145 10.505 9.196 1.00 24.55 C ATOM 816 OH TYR A 223 -8.460 10.160 9.427 1.00 26.79 O ATOM 817 HH TYR A 223 -9.043 10.637 8.784 1.00 0.00 H ATOM 818 H TYR A 223 -0.556 11.936 8.072 1.00 0.00 H ATOM 819 N LYS A 224 -2.854 12.616 5.681 1.00 16.62 N ATOM 820 CA LYS A 224 -3.575 13.127 4.517 1.00 17.24 C ATOM 821 C LYS A 224 -3.200 12.348 3.262 1.00 14.31 C ATOM 822 O LYS A 224 -4.076 11.986 2.461 1.00 15.32 O ATOM 823 CB LYS A 224 -3.303 14.621 4.347 1.00 19.85 C ATOM 824 CG LYS A 224 -3.891 15.444 5.487 1.00 22.87 C ATOM 825 CD LYS A 224 -3.461 16.900 5.506 1.00 27.99 C ATOM 826 CE LYS A 224 -3.911 17.540 6.813 1.00 29.03 C ATOM 827 NZ LYS A 224 -3.491 18.954 6.962 1.00 37.51 N ATOM 828 HZ1 LYS A 224 -2.453 19.011 6.931 1.00 0.00 H ATOM 829 HZ2 LYS A 224 -3.894 19.518 6.186 1.00 0.00 H ATOM 830 HZ3 LYS A 224 -3.832 19.322 7.873 1.00 0.00 H ATOM 831 H LYS A 224 -2.197 13.235 6.197 1.00 0.00 H ATOM 832 N LEU A 225 -1.913 12.057 3.072 1.00 14.33 N ATOM 833 CA LEU A 225 -1.523 11.297 1.886 1.00 12.27 C ATOM 834 C LEU A 225 -2.055 9.870 1.937 1.00 13.32 C ATOM 835 O LEU A 225 -2.524 9.355 0.922 1.00 12.63 O ATOM 836 CB LEU A 225 -0.002 11.260 1.748 1.00 12.22 C ATOM 837 CG LEU A 225 0.471 10.615 0.445 1.00 12.29 C ATOM 838 CD1 LEU A 225 0.063 11.357 -0.802 1.00 15.48 C ATOM 839 CD2 LEU A 225 2.000 10.436 0.446 1.00 16.64 C ATOM 840 H LEU A 225 -1.196 12.367 3.759 1.00 0.00 H ATOM 841 N ALA A 226 -1.976 9.213 3.099 1.00 11.92 N ATOM 842 CA ALA A 226 -2.513 7.860 3.218 1.00 11.42 C ATOM 843 C ALA A 226 -3.987 7.817 2.837 1.00 11.30 C ATOM 844 O ALA A 226 -4.415 6.913 2.115 1.00 11.51 O ATOM 845 CB ALA A 226 -2.319 7.342 4.635 1.00 12.48 C ATOM 846 H ALA A 226 -1.530 9.667 3.921 1.00 0.00 H ATOM 847 N LYS A 227 -4.779 8.776 3.320 1.00 11.39 N ATOM 848 CA LYS A 227 -6.203 8.771 2.969 1.00 12.10 C ATOM 849 C LYS A 227 -6.394 9.011 1.476 1.00 13.29 C ATOM 850 O LYS A 227 -7.194 8.328 0.820 1.00 15.56 O ATOM 851 CB LYS A 227 -6.950 9.807 3.793 1.00 14.97 C ATOM 852 CG LYS A 227 -8.449 9.813 3.524 1.00 16.95 C ATOM 853 CD LYS A 227 -9.173 10.815 4.405 1.00 22.37 C ATOM 854 CE LYS A 227 -10.665 10.903 4.089 1.00 26.50 C ATOM 855 NZ LYS A 227 -11.288 11.984 4.909 1.00 35.05 N ATOM 856 HZ1 LYS A 227 -11.160 11.769 5.918 1.00 0.00 H ATOM 857 HZ2 LYS A 227 -10.833 12.892 4.686 1.00 0.00 H ATOM 858 HZ3 LYS A 227 -12.303 12.041 4.691 1.00 0.00 H ATOM 859 H LYS A 227 -4.391 9.518 3.938 1.00 0.00 H ATOM 860 N LYS A 228 -5.676 9.987 0.926 1.00 13.59 N ATOM 861 CA LYS A 228 -5.784 10.306 -0.492 1.00 16.45 C ATOM 862 C LYS A 228 -5.435 9.102 -1.353 1.00 12.04 C ATOM 863 O LYS A 228 -6.173 8.751 -2.290 1.00 13.21 O ATOM 864 CB LYS A 228 -4.828 11.451 -0.805 1.00 18.99 C ATOM 865 CG LYS A 228 -4.901 11.945 -2.230 1.00 23.08 C ATOM 866 CD LYS A 228 -3.888 13.066 -2.456 1.00 22.71 C ATOM 867 CE LYS A 228 -3.889 13.510 -3.903 1.00 28.72 C ATOM 868 NZ LYS A 228 -5.144 14.233 -4.225 1.00 35.91 N ATOM 869 HZ1 LYS A 228 -5.956 13.604 -4.064 1.00 0.00 H ATOM 870 HZ2 LYS A 228 -5.226 15.071 -3.614 1.00 0.00 H ATOM 871 HZ3 LYS A 228 -5.126 14.529 -5.222 1.00 0.00 H ATOM 872 H LYS A 228 -5.023 10.535 1.522 1.00 0.00 H ATOM 873 N ILE A 229 -4.300 8.465 -1.073 1.00 10.81 N ATOM 874 CA ILE A 229 -3.856 7.378 -1.943 1.00 11.06 C ATOM 875 C ILE A 229 -4.676 6.119 -1.734 1.00 10.65 C ATOM 876 O ILE A 229 -4.809 5.319 -2.659 1.00 11.11 O ATOM 877 CB ILE A 229 -2.346 7.098 -1.900 1.00 11.23 C ATOM 878 CG1 ILE A 229 -1.916 6.439 -0.604 1.00 11.98 C ATOM 879 CG2 ILE A 229 -1.602 8.396 -2.211 1.00 14.18 C ATOM 880 CD1 ILE A 229 -0.428 6.088 -0.583 1.00 13.54 C ATOM 881 H ILE A 229 -3.735 8.738 -0.244 1.00 0.00 H ATOM 882 N LEU A 230 -5.236 5.919 -0.546 1.00 10.67 N ATOM 883 CA LEU A 230 -6.123 4.775 -0.351 1.00 9.38 C ATOM 884 C LEU A 230 -7.291 4.844 -1.317 1.00 10.21 C ATOM 885 O LEU A 230 -7.583 3.888 -2.049 1.00 11.65 O ATOM 886 CB LEU A 230 -6.610 4.767 1.091 1.00 9.73 C ATOM 887 CG LEU A 230 -7.682 3.732 1.405 1.00 11.22 C ATOM 888 CD1 LEU A 230 -7.205 2.315 1.160 1.00 13.32 C ATOM 889 CD2 LEU A 230 -8.218 3.927 2.841 1.00 14.16 C ATOM 890 H LEU A 230 -5.044 6.573 0.240 1.00 0.00 H ATOM 891 N HIS A 231 -7.981 5.988 -1.332 1.00 11.36 N ATOM 892 CA HIS A 231 -9.168 6.125 -2.157 1.00 12.69 C ATOM 893 C HIS A 231 -8.799 6.134 -3.633 1.00 12.99 C ATOM 894 O HIS A 231 -9.443 5.466 -4.451 1.00 14.66 O ATOM 895 CB HIS A 231 -9.921 7.388 -1.738 1.00 14.12 C ATOM 896 CG HIS A 231 -10.615 7.259 -0.413 1.00 14.40 C ATOM 897 ND1 HIS A 231 -11.980 7.103 -0.317 1.00 15.73 N ATOM 898 CD2 HIS A 231 -10.144 7.236 0.855 1.00 13.80 C ATOM 899 CE1 HIS A 231 -12.323 7.006 0.956 1.00 15.92 C ATOM 900 NE2 HIS A 231 -11.230 7.085 1.689 1.00 14.80 N ATOM 901 H HIS A 231 -7.665 6.788 -0.747 1.00 0.00 H ATOM 902 N ALA A 232 -7.770 6.911 -3.990 1.00 13.67 N ATOM 903 CA ALA A 232 -7.386 7.012 -5.396 1.00 16.96 C ATOM 904 C ALA A 232 -6.826 5.694 -5.891 1.00 15.26 C ATOM 905 O ALA A 232 -7.072 5.297 -7.035 1.00 17.33 O ATOM 906 CB ALA A 232 -6.344 8.123 -5.563 1.00 18.75 C ATOM 907 H ALA A 232 -7.244 7.443 -3.267 1.00 0.00 H ATOM 908 N GLY A 233 -6.098 4.989 -5.029 1.00 13.84 N ATOM 909 CA GLY A 233 -5.515 3.720 -5.411 1.00 14.15 C ATOM 910 C GLY A 233 -6.542 2.638 -5.658 1.00 15.03 C ATOM 911 O GLY A 233 -6.446 1.899 -6.637 1.00 15.99 O ATOM 912 H GLY A 233 -5.946 5.355 -4.067 1.00 0.00 H ATOM 913 N PHE A 234 -7.556 2.534 -4.787 1.00 13.99 N ATOM 914 CA PHE A 234 -8.636 1.596 -5.037 1.00 14.90 C ATOM 915 C PHE A 234 -9.372 1.943 -6.329 1.00 15.55 C ATOM 916 O PHE A 234 -9.701 1.053 -7.116 1.00 19.99 O ATOM 917 CB PHE A 234 -9.589 1.495 -3.822 1.00 14.28 C ATOM 918 CG PHE A 234 -9.190 0.398 -2.849 1.00 12.95 C ATOM 919 CD1 PHE A 234 -8.047 0.508 -2.094 1.00 12.58 C ATOM 920 CD2 PHE A 234 -9.954 -0.730 -2.716 1.00 15.59 C ATOM 921 CE1 PHE A 234 -7.673 -0.509 -1.214 1.00 12.45 C ATOM 922 CE2 PHE A 234 -9.573 -1.760 -1.864 1.00 13.60 C ATOM 923 CZ PHE A 234 -8.445 -1.655 -1.114 1.00 11.40 C ATOM 924 H PHE A 234 -7.569 3.126 -3.932 1.00 0.00 H ATOM 925 N LYS A 235 -9.614 3.234 -6.580 1.00 16.33 N ATOM 926 CA LYS A 235 -10.273 3.633 -7.821 1.00 17.60 C ATOM 927 C LYS A 235 -9.427 3.269 -9.029 1.00 26.16 C ATOM 928 O LYS A 235 -9.940 2.725 -10.015 1.00 25.44 O ATOM 929 CB LYS A 235 -10.552 5.128 -7.801 1.00 19.67 C ATOM 930 CG LYS A 235 -11.744 5.452 -6.953 1.00 25.28 C ATOM 931 CD LYS A 235 -12.232 6.869 -7.167 1.00 30.85 C ATOM 932 CE LYS A 235 -13.582 7.077 -6.479 1.00 33.83 C ATOM 933 NZ LYS A 235 -14.291 8.327 -6.894 1.00 41.13 N ATOM 934 HZ1 LYS A 235 -13.700 9.152 -6.666 1.00 0.00 H ATOM 935 HZ2 LYS A 235 -14.469 8.299 -7.918 1.00 0.00 H ATOM 936 HZ3 LYS A 235 -15.195 8.396 -6.385 1.00 0.00 H ATOM 937 H LYS A 235 -9.332 3.957 -5.888 1.00 0.00 H ATOM 938 N MET A 236 -8.126 3.537 -8.954 1.00 22.21 N ATOM 939 CA MET A 236 -7.221 3.214 -10.055 1.00 22.30 C ATOM 940 C MET A 236 -7.259 1.722 -10.356 1.00 20.64 C ATOM 941 O MET A 236 -7.357 1.314 -11.519 1.00 25.81 O ATOM 942 CB MET A 236 -5.795 3.668 -9.699 1.00 22.16 C ATOM 943 CG MET A 236 -4.725 3.378 -10.751 1.00 22.83 C ATOM 944 SD MET A 236 -4.029 1.711 -10.666 1.00 27.91 S ATOM 945 CE MET A 236 -3.225 1.732 -9.073 1.00 22.40 C ATOM 946 H MET A 236 -7.746 3.985 -8.096 1.00 0.00 H ATOM 947 N MET A 237 -7.187 0.886 -9.323 1.00 21.85 N ATOM 948 CA MET A 237 -7.183 -0.556 -9.530 1.00 19.77 C ATOM 949 C MET A 237 -8.509 -1.062 -10.075 1.00 28.27 C ATOM 950 O MET A 237 -8.531 -2.090 -10.761 1.00 30.82 O ATOM 951 CB MET A 237 -6.789 -1.278 -8.240 1.00 20.44 C ATOM 952 CG MET A 237 -5.316 -1.025 -7.828 1.00 17.39 C ATOM 953 SD MET A 237 -4.679 -1.998 -6.456 1.00 16.26 S ATOM 954 CE MET A 237 -5.247 -1.085 -5.025 1.00 18.72 C ATOM 955 H MET A 237 -7.133 1.267 -8.357 1.00 0.00 H ATOM 956 N SER A 238 -9.601 -0.346 -9.823 1.00 25.28 N ATOM 957 CA SER A 238 -10.885 -0.677 -10.406 1.00 28.59 C ATOM 958 C SER A 238 -10.926 -0.198 -11.858 1.00 25.67 C ATOM 959 O SER A 238 -11.795 -0.622 -12.618 1.00 36.58 O ATOM 960 CB SER A 238 -12.005 -0.021 -9.600 1.00 25.92 C ATOM 961 OG SER A 238 -13.279 -0.375 -10.102 1.00 36.35 O ATOM 962 HG SER A 238 -13.355 -0.080 -11.044 1.00 0.00 H ATOM 963 H SER A 238 -9.531 0.475 -9.189 1.00 0.00 H TER 964 SER A 238 HETATM 965 O HOH 1 2.101 4.015 8.940 1.00 18.00 O HETATM 966 O HOH 2 5.612 -12.311 3.811 1.00 32.51 O HETATM 967 O HOH 3 -10.283 -1.202 -6.363 1.00 34.49 O HETATM 968 O HOH 4 13.825 -6.053 -2.472 1.00 30.12 O HETATM 969 O HOH 5 -6.890 15.127 7.716 1.00 30.99 O HETATM 970 O HOH 6 10.295 -5.306 4.052 1.00 25.52 O HETATM 971 O HOH 7 8.668 -11.466 0.822 1.00 25.01 O HETATM 972 O HOH 8 -10.412 11.412 8.210 1.00 39.22 O HETATM 973 O HOH 9 2.829 0.248 8.368 1.00 13.38 O HETATM 974 O HOH 10 8.420 -1.069 -3.909 1.00 21.33 O HETATM 975 O HOH 11 -6.101 -15.400 0.994 1.00 23.57 O HETATM 976 O HOH 12 6.466 3.600 5.553 1.00 16.46 O HETATM 977 O HOH 13 -3.453 -17.390 -8.178 1.00 42.57 O HETATM 978 O HOH 14 9.994 10.917 -6.341 1.00 40.84 O HETATM 979 O HOH 15 6.179 -2.365 7.021 1.00 15.55 O HETATM 980 O HOH 16 7.591 11.519 13.886 1.00 39.34 O HETATM 981 O HOH 17 5.871 10.312 -8.626 1.00 37.17 O HETATM 982 O HOH 18 10.428 -7.639 2.626 1.00 26.01 O HETATM 983 O HOH 19 -5.349 7.417 -9.894 1.00 37.08 O HETATM 984 O HOH 20 6.281 -2.688 -9.194 1.00 23.68 O HETATM 985 O HOH 21 -6.456 -2.720 7.183 1.00 16.85 O HETATM 986 O HOH 22 -8.887 -6.878 -0.486 1.00 21.66 O HETATM 987 O HOH 23 -10.024 2.253 5.626 1.00 20.68 O HETATM 988 O HOH 24 -3.207 -7.899 4.318 1.00 17.97 O HETATM 989 O HOH 25 12.920 0.663 7.132 1.00 18.76 O HETATM 990 O HOH 26 -0.482 11.669 -4.358 1.00 31.85 O HETATM 991 O HOH 27 -6.219 1.941 -13.928 1.00 34.34 O HETATM 992 O HOH 28 0.149 -9.079 5.210 1.00 22.20 O HETATM 993 O HOH 29 8.831 0.391 13.706 1.00 30.01 O HETATM 994 O HOH 30 -0.561 6.847 -10.290 1.00 26.61 O HETATM 995 O HOH 31 12.418 10.986 -0.606 1.00 31.82 O HETATM 996 O HOH 32 7.320 -0.632 10.567 1.00 21.05 O HETATM 997 O HOH 33 -6.362 -4.676 5.040 1.00 14.76 O HETATM 998 O HOH 34 -3.275 -9.608 2.103 1.00 18.02 O HETATM 999 O HOH 35 1.963 2.597 6.710 1.00 14.30 O HETATM 1000 O HOH 36 -4.405 -0.628 10.540 1.00 26.25 O HETATM 1001 O HOH 37 5.054 11.440 -1.042 1.00 13.19 O HETATM 1002 O HOH 38 -9.137 -11.099 -6.574 1.00 26.60 O HETATM 1003 O HOH 39 7.457 7.682 -6.209 1.00 29.24 O HETATM 1004 O HOH 40 6.554 3.899 -9.253 1.00 24.46 O HETATM 1005 O HOH 41 3.305 0.579 -14.792 1.00 32.08 O HETATM 1006 O HOH 42 2.202 -7.095 8.707 1.00 26.24 O HETATM 1007 O HOH 43 -8.155 10.436 -3.275 1.00 21.65 O HETATM 1008 O HOH 44 -5.092 9.148 13.847 1.00 37.33 O HETATM 1009 O HOH 45 9.753 0.983 -2.039 1.00 16.59 O HETATM 1010 O HOH 46 9.879 4.700 20.228 1.00 33.87 O HETATM 1011 O HOH 47 3.045 12.043 12.513 1.00 26.13 O HETATM 1012 O HOH 48 -7.692 7.170 -9.022 1.00 26.99 O HETATM 1013 O HOH 49 -13.409 6.920 -2.722 1.00 21.40 O HETATM 1014 O HOH 50 11.220 -11.230 -2.682 1.00 22.11 O HETATM 1015 O HOH 51 -1.762 -3.087 11.960 1.00 18.70 O HETATM 1016 O HOH 52 10.464 9.841 2.967 1.00 32.52 O HETATM 1017 O HOH 53 -6.434 13.516 2.453 1.00 19.14 O HETATM 1018 O HOH 54 -0.890 -11.271 2.113 1.00 23.98 O HETATM 1019 O HOH 55 -5.843 -16.794 -2.907 1.00 28.08 O HETATM 1020 O HOH 56 9.561 4.947 3.791 1.00 18.75 O HETATM 1021 O HOH 57 6.840 4.973 -2.281 1.00 15.95 O HETATM 1022 O HOH 58 -0.058 14.927 2.358 1.00 19.67 O HETATM 1023 O HOH 59 12.613 -4.307 0.498 1.00 25.10 O HETATM 1024 O HOH 60 -10.856 -3.690 4.959 1.00 24.01 O HETATM 1025 O HOH 61 12.381 0.782 14.916 1.00 35.06 O HETATM 1026 O HOH 62 4.412 -5.474 -14.935 1.00 29.37 O HETATM 1027 O HOH 63 -7.353 12.548 -4.823 1.00 33.34 O HETATM 1028 O HOH 64 9.160 -5.838 6.141 1.00 36.22 O HETATM 1029 O HOH 65 -7.105 3.389 10.485 1.00 33.77 O HETATM 1030 O HOH 66 2.683 -1.838 -16.826 1.00 33.69 O HETATM 1031 O HOH 67 12.271 -9.129 -3.866 1.00 30.75 O HETATM 1032 O HOH 68 4.128 2.330 5.132 1.00 15.66 O HETATM 1033 O HOH 69 11.744 13.930 -0.526 1.00 32.35 O HETATM 1034 O HOH 70 -8.841 9.267 12.119 1.00 42.13 O HETATM 1035 O HOH 71 7.743 1.648 -7.960 1.00 34.03 O HETATM 1036 O HOH 72 -11.989 4.631 -3.388 1.00 23.86 O HETATM 1037 O HOH 73 -8.280 4.283 7.748 1.00 29.33 O HETATM 1038 O HOH 74 9.025 1.924 20.340 1.00 33.68 O HETATM 1039 O HOH 75 2.864 -10.229 5.163 1.00 30.98 O HETATM 1040 O HOH 76 11.742 9.626 -3.459 1.00 34.47 O HETATM 1041 O HOH 77 -11.148 6.981 4.585 1.00 25.33 O HETATM 1042 O HOH 78 0.960 12.444 14.379 1.00 28.05 O HETATM 1043 O HOH 79 5.431 -6.608 7.387 1.00 28.17 O HETATM 1044 O HOH 80 -0.942 -13.201 0.433 1.00 33.39 O HETATM 1045 O HOH 81 -6.964 -12.058 -8.798 1.00 26.81 O HETATM 1046 O HOH 82 8.010 -8.955 1.963 1.00 23.46 O HETATM 1047 O HOH 83 -12.221 -6.807 -5.583 1.00 44.32 O HETATM 1048 O HOH 84 4.192 10.674 16.666 1.00 36.07 O HETATM 1049 O HOH 85 -2.509 -2.372 14.489 1.00 29.68 O HETATM 1050 O HOH 86 11.794 6.079 19.278 1.00 33.97 O HETATM 1051 O HOH 87 7.160 -0.387 -7.872 1.00 32.51 O HETATM 1052 O HOH 88 -1.616 -15.441 -12.983 1.00 30.77 O HETATM 1053 O HOH 89 11.604 -3.835 -1.890 1.00 21.61 O HETATM 1054 O HOH 90 1.441 10.451 16.221 1.00 39.67 O HETATM 1055 O HOH 91 2.802 -12.611 -5.905 1.00 28.08 O HETATM 1056 O HOH 92 8.599 6.519 -3.737 1.00 19.93 O HETATM 1057 O HOH 93 5.822 -0.037 8.326 1.00 14.49 O HETATM 1058 O HOH 94 9.053 6.313 6.212 1.00 37.51 O HETATM 1059 O HOH 95 2.716 -8.465 10.782 1.00 39.38 O HETATM 1060 O HOH 96 2.931 16.344 9.420 1.00 32.64 O HETATM 1061 O HOH 97 7.040 -15.963 -14.612 1.00 47.27 O HETATM 1062 O HOH 98 2.248 12.347 -7.399 1.00 41.59 O HETATM 1063 O HOH 99 -5.209 16.356 14.137 1.00 40.44 O HETATM 1064 O HOH 100 -3.447 16.587 -2.755 1.00 28.36 O HETATM 1065 O HOH 101 -8.418 7.191 11.053 1.00 40.64 O HETATM 1066 O HOH 102 -9.430 10.643 0.002 1.00 31.58 O HETATM 1067 O HOH 103 -9.950 9.236 -5.243 1.00 26.24 O HETATM 1068 O HOH 104 -1.909 14.222 0.298 1.00 19.80 O HETATM 1069 O HOH 105 11.121 2.342 -3.717 1.00 30.14 O HETATM 1070 O HOH 106 1.325 -3.997 18.311 1.00 41.68 O HETATM 1071 O HOH 107 -8.030 14.549 -2.000 1.00 40.19 O HETATM 1072 O HOH 108 7.581 6.055 -8.253 1.00 31.84 O HETATM 1073 O HOH 109 -3.510 10.115 -5.261 1.00 38.44 O HETATM 1074 O HOH 110 -10.802 -0.889 9.146 1.00 36.67 O HETATM 1075 O HOH 111 1.056 13.660 -3.047 1.00 42.77 O HETATM 1076 O HOH 112 -7.459 -11.005 1.092 1.00 30.14 O HETATM 1077 O HOH 113 -9.081 -4.482 1.048 1.00 17.21 O HETATM 1078 O HOH 114 -5.165 -6.961 6.066 1.00 24.38 O HETATM 1079 O HOH 115 -2.363 -8.779 8.519 1.00 38.67 O HETATM 1080 O HOH 116 -8.679 12.630 1.014 1.00 33.81 O HETATM 1081 O HOH 117 -8.223 0.865 10.720 1.00 36.84 O HETATM 1082 O HOH 118 6.899 -1.427 13.208 1.00 29.04 O HETATM 1083 O HOH 119 12.273 -13.574 -3.494 1.00 32.41 O HETATM 1084 O HOH 120 -10.831 -8.313 -7.705 1.00 45.66 O HETATM 1085 O HOH 121 7.690 -4.427 8.151 1.00 24.10 O HETATM 1086 O HOH 122 0.355 -8.615 7.554 1.00 36.76 O HETATM 1087 O HOH 123 8.074 -17.326 0.204 1.00 35.57 O HETATM 1088 O HOH 124 11.507 1.374 -6.055 1.00 29.27 O HETATM 1089 O HOH 125 -8.385 -13.704 0.596 1.00 32.42 O HETATM 1090 O HOH 126 1.234 15.310 15.119 1.00 45.03 O HETATM 1091 O HOH 127 -7.498 14.170 4.938 1.00 32.20 O HETATM 1092 O HOH 128 -2.805 -10.022 6.095 1.00 31.32 O HETATM 1093 O HOH 129 -8.790 -5.112 3.784 1.00 16.77 O HETATM 1094 O HOH 130 10.798 -1.425 -3.289 1.00 19.80 O HETATM 1095 O HOH 131 -10.791 4.764 6.016 1.00 25.09 O HETATM 1096 O HOH 132 -5.816 -2.962 9.893 1.00 27.25 O HETATM 1097 O HOH 133 8.664 -3.025 10.426 1.00 28.51 O HETATM 1098 O HOH 134 -12.740 -3.360 2.891 1.00 31.20 O HETATM 1099 O HOH 135 6.704 -10.110 4.231 1.00 26.29 O HETATM 1100 O HOH 136 3.277 13.581 -1.297 1.00 17.71 O HETATM 1101 O HOH 137 2.310 14.924 0.843 1.00 20.76 O HETATM 1102 O HOH 138 -5.707 -11.071 2.461 1.00 29.84 O HETATM 1103 O HOH 139 10.547 2.329 -8.065 1.00 34.86 O HETATM 1104 O HOH 140 -10.476 -8.154 1.155 1.00 23.53 O HETATM 1105 O HOH 141 4.921 -8.738 6.237 1.00 35.62 O HETATM 1106 O HOH 142 12.903 -13.491 -9.084 1.00 47.45 O HETATM 1107 O HOH 143 -4.015 16.068 -0.062 1.00 28.49 O HETATM 1108 O HOH 144 -4.110 -4.847 11.069 1.00 28.73 O HETATM 1109 O HOH 145 3.923 14.375 11.777 1.00 44.10 O HETATM 1110 O HOH 146 11.975 -5.466 6.279 1.00 30.54 O HETATM 1111 O HOH 147 -0.658 17.605 2.699 1.00 29.11 O HETATM 1112 O HOH 148 -0.817 15.091 -1.950 1.00 34.86 O HETATM 1113 O HOH 149 -4.260 -7.084 8.953 1.00 34.56 O HETATM 1114 O HOH 150 8.050 -6.146 -20.098 1.00 45.23 O HETATM 1115 O HOH 151 14.298 -13.405 -4.844 1.00 38.87 O HETATM 1116 O HOH 152 -13.199 -11.814 -0.088 1.00 27.94 O HETATM 1117 O HOH 153 -3.266 18.184 1.302 1.00 31.35 O HETATM 1118 O HOH 154 -11.381 -10.650 1.508 1.00 35.85 O HETATM 1119 O HOH 155 -9.421 -7.808 3.856 1.00 22.39 O HETATM 1120 O HOH 156 1.130 18.868 -2.100 1.00 40.96 O HETATM 1121 C4 UNN A 157 4.994 8.145 9.450 1.00 -0.03 C HETATM 1122 C6 UNN A 157 5.008 7.447 8.273 1.00 0.04 C HETATM 1123 C5 UNN A 157 5.938 7.745 7.273 1.00 -0.06 C HETATM 1124 C3 UNN A 157 6.893 8.758 7.446 1.00 -0.06 C HETATM 1125 C1 UNN A 157 6.885 9.480 8.635 1.00 0.02 C HETATM 1126 C2 UNN A 157 5.914 9.126 9.613 1.00 0.06 C HETATM 1127 S9 UNN A 157 6.118 10.172 11.004 1.00 0.03 S HETATM 1128 C8 UNN A 157 7.457 10.977 10.210 1.00 0.18 C HETATM 1129 N12 UNN A 157 8.189 12.062 10.837 1.00 -0.29 N HETATM 1130 H3 UNN A 157 8.971 12.511 10.339 1.00 0.19 H HETATM 1131 H4 UNN A 157 7.927 12.383 11.780 1.00 0.19 H HETATM 1132 N7 UNN A 157 7.752 10.528 8.986 1.00 -0.30 N HETATM 1133 H5 UNN A 157 7.620 8.973 6.671 1.00 0.05 H HETATM 1134 H2 UNN A 157 5.921 7.183 6.346 1.00 0.06 H HETATM 1135 C10 UNN A 157 3.985 6.352 8.094 1.00 0.19 C HETATM 1136 O11 UNN A 157 3.085 6.255 8.856 1.00 -0.39 O HETATM 1137 N13 UNN A 157 4.130 5.444 6.966 1.00 -0.30 N HETATM 1138 H6 UNN A 157 3.465 4.710 6.826 1.00 0.18 H HETATM 1139 H7 UNN A 157 4.895 5.554 6.331 1.00 0.18 H HETATM 1140 H1 UNN A 157 4.271 7.920 10.226 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1121 1122 1126 1140 CONECT 1122 1121 1123 1135 CONECT 1123 1122 1124 1134 CONECT 1124 1123 1125 1133 CONECT 1125 1124 1126 1132 CONECT 1126 1121 1125 1127 CONECT 1127 1126 1128 CONECT 1128 1127 1129 1132 CONECT 1129 1128 1130 1131 CONECT 1130 1129 CONECT 1131 1129 CONECT 1132 1125 1128 CONECT 1133 1124 CONECT 1134 1123 CONECT 1135 1122 1136 1137 CONECT 1136 1135 CONECT 1137 1135 1138 1139 CONECT 1138 1137 CONECT 1139 1137 CONECT 1140 1121 MASTER 0 0 0 0 0 0 0 0 1139 1 24 8 END
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Related entries of code: 5ji8
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Protein Sequence Similarity
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RCSB PDB
PDBbind
102aa, >5I40_1|Chain... at 100%
5i7x
RCSB PDB
PDBbind
101aa, >5I7X_1|Chain... at 100%
5i7y
RCSB PDB
PDBbind
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5h1u
RCSB PDB
PDBbind
6KT
Entry Information
PDB ID
5ji8
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Bromodomain-containing protein 9, BRD9 bromodomain
Ligand Name
6KT
EC.Number
E.C.-.-.-.-
Resolution
1.42(Å)
Affinity (Kd/Ki/IC50)
Kd=23.4uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Chembiochem Vol. 17: pp. 1456-1463
Ligand Properties
Formula
C
8
H
7
N
3
OS
Molecular Weight
193.226
Exact Mass
193.031
No. of atoms
20
No. of bonds
21
Polar Surface Area
110.24
LOGP Value
0.91 (
Computed with XLOGP3
)
2.26 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
Nc1nc2c(s1)cc(cc2)C(=O)N
InChI String
InChI=1S/C8H7N3OS/c9-7(12)4-1-2-5-6(3-4)13-8(10)11-5/h1-3H,(H2,9,12)(H2,10,11)
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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