Browse entries in the PDBbind-CN Database
HEADER 3WUU_COMPLEX COMPND 3WUU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 54 ALA MET GLY SER PHE ASN SER SER ILE ASN ASN ILE HIS SEQRES 2 A 54 GLU MET GLU ILE GLN LEU LYS ASP ALA LEU GLU LYS ASN SEQRES 3 A 54 GLN GLN TRP LEU VAL TYR ASP GLN GLN ARG GLU VAL TYR SEQRES 4 A 54 VAL LYS GLY LEU LEU ALA LYS ILE PHE GLU LEU GLU LYS SEQRES 5 A 54 LYS THR SEQRES 1 B 50 SER PHE ASN SER SER ILE ASN ASN ILE HIS GLU MET GLU SEQRES 2 B 50 ILE GLN LEU LYS ASP ALA LEU GLU LYS ASN GLN GLN TRP SEQRES 3 B 50 LEU VAL TYR ASP GLN GLN ARG GLU VAL TYR VAL LYS GLY SEQRES 4 B 50 LEU LEU ALA LYS ILE PHE GLU LEU GLU LYS LYS HET ASP A 126 202 ATOM 1 N ALA A 156 -40.928 50.909 -54.502 1.00 75.29 N ATOM 2 CA ALA A 156 -41.740 51.788 -53.669 1.00 77.86 C ATOM 3 C ALA A 156 -40.867 52.721 -52.835 1.00 75.21 C ATOM 4 O ALA A 156 -39.652 52.541 -52.750 1.00 71.08 O ATOM 5 CB ALA A 156 -42.660 50.969 -52.771 1.00 69.13 C ATOM 6 HN3 ALA A 156 -40.310 50.332 -53.896 1.00 0.00 H ATOM 7 HN2 ALA A 156 -40.346 51.483 -55.145 1.00 0.00 H ATOM 8 HN1 ALA A 156 -41.550 50.287 -55.057 1.00 0.00 H ATOM 9 N MET A 157 -41.495 53.720 -52.221 1.00 75.51 N ATOM 10 CA MET A 157 -40.785 54.661 -51.360 1.00 73.52 C ATOM 11 C MET A 157 -40.573 54.085 -49.962 1.00 75.21 C ATOM 12 O MET A 157 -39.772 54.600 -49.182 1.00 70.42 O ATOM 13 CB MET A 157 -41.539 55.990 -51.276 1.00 64.50 C ATOM 14 CG MET A 157 -41.494 56.809 -52.553 1.00 63.76 C ATOM 15 SD MET A 157 -39.827 57.364 -52.958 1.00 67.67 S ATOM 16 CE MET A 157 -39.476 58.435 -51.567 1.00 54.33 C ATOM 17 H MET A 157 -42.520 53.834 -52.358 1.00 0.00 H ATOM 18 N GLY A 158 -41.301 53.018 -49.650 1.00 71.45 N ATOM 19 CA GLY A 158 -41.137 52.333 -48.383 1.00 71.31 C ATOM 20 C GLY A 158 -39.969 51.371 -48.452 1.00 75.03 C ATOM 21 O GLY A 158 -39.224 51.205 -47.485 1.00 76.76 O ATOM 22 H GLY A 158 -42.005 52.666 -50.330 1.00 0.00 H ATOM 23 N SER A 159 -39.811 50.735 -49.608 1.00 72.00 N ATOM 24 CA SER A 159 -38.692 49.834 -49.841 1.00 72.69 C ATOM 25 C SER A 159 -37.382 50.614 -49.879 1.00 72.69 C ATOM 26 O SER A 159 -36.325 50.087 -49.532 1.00 76.10 O ATOM 27 CB SER A 159 -38.889 49.061 -51.146 1.00 74.64 C ATOM 28 OG SER A 159 -37.819 48.163 -51.375 1.00 73.88 O ATOM 29 HG SER A 159 -36.971 48.670 -51.432 1.00 0.00 H ATOM 30 H SER A 159 -40.506 50.885 -50.367 1.00 0.00 H ATOM 31 N PHE A 160 -37.461 51.873 -50.302 1.00 73.96 N ATOM 32 CA PHE A 160 -36.304 52.762 -50.313 1.00 70.88 C ATOM 33 C PHE A 160 -35.874 53.109 -48.892 1.00 70.52 C ATOM 34 O PHE A 160 -34.684 53.129 -48.580 1.00 72.04 O ATOM 35 CB PHE A 160 -36.612 54.050 -51.085 1.00 71.02 C ATOM 36 CG PHE A 160 -36.630 53.879 -52.579 1.00 71.13 C ATOM 37 CD1 PHE A 160 -36.131 52.729 -53.167 1.00 72.66 C ATOM 38 CD2 PHE A 160 -37.137 54.875 -53.396 1.00 67.87 C ATOM 39 CE1 PHE A 160 -36.143 52.572 -54.540 1.00 66.56 C ATOM 40 CE2 PHE A 160 -37.151 54.723 -54.771 1.00 63.88 C ATOM 41 CZ PHE A 160 -36.653 53.570 -55.343 1.00 62.15 C ATOM 42 H PHE A 160 -38.377 52.235 -50.636 1.00 0.00 H ATOM 43 N ASN A 161 -36.853 53.385 -48.035 1.00 72.97 N ATOM 44 CA ASN A 161 -36.583 53.747 -46.649 1.00 70.23 C ATOM 45 C ASN A 161 -35.989 52.595 -45.847 1.00 74.64 C ATOM 46 O ASN A 161 -35.105 52.798 -45.014 1.00 76.32 O ATOM 47 CB ASN A 161 -37.856 54.254 -45.968 1.00 69.28 C ATOM 48 CG ASN A 161 -37.660 54.510 -44.488 1.00 71.38 C ATOM 49 OD1 ASN A 161 -38.017 53.682 -43.651 1.00 72.60 O ATOM 50 ND2 ASN A 161 -37.080 55.658 -44.158 1.00 74.40 N ATOM 51 HD22 ASN A 161 -36.795 56.329 -44.900 1.00 0.00 H ATOM 52 HD21 ASN A 161 -36.911 55.887 -43.158 1.00 0.00 H ATOM 53 H ASN A 161 -37.839 53.341 -48.363 1.00 0.00 H ATOM 54 N SER A 162 -36.480 51.386 -46.102 1.00 72.38 N ATOM 55 CA SER A 162 -35.996 50.200 -45.408 1.00 67.05 C ATOM 56 C SER A 162 -34.563 49.882 -45.815 1.00 71.20 C ATOM 57 O SER A 162 -33.721 49.567 -44.973 1.00 72.64 O ATOM 58 CB SER A 162 -36.893 49.000 -45.711 1.00 66.76 C ATOM 59 OG SER A 162 -36.757 48.595 -47.062 1.00 76.84 O ATOM 60 HG SER A 162 -37.014 49.343 -47.657 1.00 0.00 H ATOM 61 H SER A 162 -37.229 51.284 -46.816 1.00 0.00 H ATOM 62 N SER A 163 -34.294 49.973 -47.114 1.00 74.45 N ATOM 63 CA SER A 163 -32.979 49.652 -47.658 1.00 71.57 C ATOM 64 C SER A 163 -31.897 50.597 -47.143 1.00 68.27 C ATOM 65 O SER A 163 -30.715 50.256 -47.140 1.00 69.93 O ATOM 66 CB SER A 163 -33.015 49.664 -49.186 1.00 63.73 C ATOM 67 OG SER A 163 -33.910 48.679 -49.676 1.00 67.67 O ATOM 68 HG SER A 163 -34.820 48.862 -49.333 1.00 0.00 H ATOM 69 H SER A 163 -35.045 50.283 -47.763 1.00 0.00 H ATOM 70 N ILE A 164 -32.308 51.783 -46.709 1.00 65.61 N ATOM 71 CA ILE A 164 -31.391 52.741 -46.104 1.00 66.02 C ATOM 72 C ILE A 164 -30.959 52.271 -44.711 1.00 70.17 C ATOM 73 O ILE A 164 -29.795 52.420 -44.327 1.00 67.99 O ATOM 74 CB ILE A 164 -32.021 54.154 -46.041 1.00 65.04 C ATOM 75 CG1 ILE A 164 -31.791 54.892 -47.362 1.00 65.63 C ATOM 76 CG2 ILE A 164 -31.459 54.964 -44.880 1.00 67.38 C ATOM 77 CD1 ILE A 164 -32.304 56.318 -47.370 1.00 63.29 C ATOM 78 H ILE A 164 -33.312 52.035 -46.803 1.00 0.00 H ATOM 79 N ASN A 165 -31.891 51.678 -43.968 1.00 67.90 N ATOM 80 CA ASN A 165 -31.619 51.227 -42.602 1.00 71.28 C ATOM 81 C ASN A 165 -30.646 50.044 -42.485 1.00 71.82 C ATOM 82 O ASN A 165 -29.944 49.919 -41.482 1.00 68.55 O ATOM 83 CB ASN A 165 -32.931 50.909 -41.871 1.00 70.08 C ATOM 84 CG ASN A 165 -33.687 52.156 -41.450 1.00 79.14 C ATOM 85 OD1 ASN A 165 -33.104 53.228 -41.286 1.00 81.62 O ATOM 86 ND2 ASN A 165 -34.996 52.016 -41.265 1.00 80.07 N ATOM 87 HD22 ASN A 165 -35.446 51.091 -41.415 1.00 0.00 H ATOM 88 HD21 ASN A 165 -35.570 52.832 -40.970 1.00 0.00 H ATOM 89 H ASN A 165 -32.839 51.531 -44.369 1.00 0.00 H ATOM 90 N ASN A 166 -30.631 49.179 -43.497 1.00 66.90 N ATOM 91 CA ASN A 166 -29.684 48.075 -43.570 1.00 67.92 C ATOM 92 C ASN A 166 -28.273 48.624 -43.617 1.00 70.33 C ATOM 93 O ASN A 166 -27.377 48.179 -42.894 1.00 77.55 O ATOM 94 CB ASN A 166 -29.901 47.284 -44.857 1.00 65.91 C ATOM 95 CG ASN A 166 -31.114 46.392 -44.817 1.00 75.30 C ATOM 96 OD1 ASN A 166 -32.017 46.574 -44.008 1.00 77.45 O ATOM 97 ND2 ASN A 166 -31.139 45.406 -45.714 1.00 78.56 N ATOM 98 HD22 ASN A 166 -30.350 45.290 -46.381 1.00 0.00 H ATOM 99 HD21 ASN A 166 -31.948 44.753 -45.746 1.00 0.00 H ATOM 100 H ASN A 166 -31.322 49.296 -44.265 1.00 0.00 H ATOM 101 N ILE A 167 -28.107 49.591 -44.512 1.00 62.89 N ATOM 102 CA ILE A 167 -26.861 50.310 -44.719 1.00 64.20 C ATOM 103 C ILE A 167 -26.347 50.939 -43.412 1.00 61.63 C ATOM 104 O ILE A 167 -25.144 51.120 -43.230 1.00 64.19 O ATOM 105 CB ILE A 167 -27.021 51.332 -45.905 1.00 61.96 C ATOM 106 CG1 ILE A 167 -26.525 50.724 -47.226 1.00 57.52 C ATOM 107 CG2 ILE A 167 -26.418 52.710 -45.586 1.00 63.07 C ATOM 108 CD1 ILE A 167 -27.609 50.022 -48.044 1.00 64.91 C ATOM 109 H ILE A 167 -28.922 49.851 -45.104 1.00 0.00 H ATOM 110 N HIS A 168 -27.267 51.230 -42.495 1.00 59.15 N ATOM 111 CA HIS A 168 -26.914 51.620 -41.129 1.00 65.94 C ATOM 112 C HIS A 168 -26.415 50.412 -40.325 1.00 66.47 C ATOM 113 O HIS A 168 -25.460 50.520 -39.556 1.00 64.22 O ATOM 114 CB HIS A 168 -28.103 52.262 -40.403 1.00 65.53 C ATOM 115 CG HIS A 168 -28.219 53.742 -40.600 1.00 70.27 C ATOM 116 ND1 HIS A 168 -27.384 54.641 -39.976 1.00 71.63 N ATOM 117 CD2 HIS A 168 -29.096 54.479 -41.322 1.00 73.39 C ATOM 118 CE1 HIS A 168 -27.729 55.871 -40.319 1.00 64.79 C ATOM 119 NE2 HIS A 168 -28.764 55.799 -41.134 1.00 71.60 N ATOM 120 H HIS A 168 -28.272 51.178 -42.758 1.00 0.00 H ATOM 121 N GLU A 169 -27.076 49.268 -40.495 1.00 65.25 N ATOM 122 CA GLU A 169 -26.674 48.020 -39.837 1.00 63.50 C ATOM 123 C GLU A 169 -25.340 47.506 -40.376 1.00 63.71 C ATOM 124 O GLU A 169 -24.532 46.945 -39.635 1.00 63.66 O ATOM 125 CB GLU A 169 -27.751 46.946 -40.030 1.00 66.21 C ATOM 126 CG GLU A 169 -28.983 47.139 -39.165 1.00 76.25 C ATOM 127 CD GLU A 169 -28.653 47.132 -37.682 1.00 86.30 C ATOM 128 OE1 GLU A 169 -27.773 46.347 -37.268 1.00 81.71 O ATOM 129 OE2 GLU A 169 -29.269 47.918 -36.930 1.00 83.81 O ATOM 130 H GLU A 169 -27.909 49.259 -41.118 1.00 0.00 H ATOM 131 N MET A 170 -25.136 47.696 -41.677 1.00 64.37 N ATOM 132 CA MET A 170 -23.915 47.304 -42.376 1.00 58.44 C ATOM 133 C MET A 170 -22.693 47.968 -41.781 1.00 56.53 C ATOM 134 O MET A 170 -21.644 47.342 -41.615 1.00 55.18 O ATOM 135 CB MET A 170 -24.014 47.709 -43.841 1.00 65.66 C ATOM 136 CG MET A 170 -22.708 47.604 -44.603 1.00 72.90 C ATOM 137 SD MET A 170 -23.018 47.221 -46.330 1.00 75.09 S ATOM 138 CE MET A 170 -23.873 45.670 -46.112 1.00 58.15 C ATOM 139 H MET A 170 -25.891 48.151 -42.229 1.00 0.00 H ATOM 140 N GLU A 171 -22.832 49.258 -41.496 1.00 58.50 N ATOM 141 CA GLU A 171 -21.754 50.031 -40.905 1.00 60.57 C ATOM 142 C GLU A 171 -21.449 49.439 -39.536 1.00 59.18 C ATOM 143 O GLU A 171 -20.289 49.231 -39.183 1.00 60.09 O ATOM 144 CB GLU A 171 -22.142 51.508 -40.778 1.00 55.59 C ATOM 145 CG GLU A 171 -20.950 52.456 -40.769 1.00 64.89 C ATOM 146 CD GLU A 171 -21.225 53.775 -40.065 1.00 73.74 C ATOM 147 OE1 GLU A 171 -22.402 54.074 -39.770 1.00 73.21 O ATOM 148 OE2 GLU A 171 -20.249 54.510 -39.801 1.00 79.60 O ATOM 149 H GLU A 171 -23.737 49.727 -41.702 1.00 0.00 H ATOM 150 N ILE A 172 -22.505 49.142 -38.784 1.00 56.93 N ATOM 151 CA ILE A 172 -22.389 48.550 -37.457 1.00 58.68 C ATOM 152 C ILE A 172 -21.682 47.199 -37.522 1.00 51.89 C ATOM 153 O ILE A 172 -20.837 46.884 -36.680 1.00 53.59 O ATOM 154 CB ILE A 172 -23.791 48.362 -36.828 1.00 62.80 C ATOM 155 CG1 ILE A 172 -24.417 49.723 -36.522 1.00 56.29 C ATOM 156 CG2 ILE A 172 -23.715 47.512 -35.569 1.00 59.45 C ATOM 157 CD1 ILE A 172 -25.777 49.637 -35.865 1.00 59.11 C ATOM 158 H ILE A 172 -23.455 49.341 -39.159 1.00 0.00 H ATOM 159 N GLN A 173 -22.036 46.415 -38.535 1.00 49.67 N ATOM 160 CA GLN A 173 -21.463 45.093 -38.735 1.00 48.65 C ATOM 161 C GLN A 173 -19.994 45.174 -39.109 1.00 52.63 C ATOM 162 O GLN A 173 -19.186 44.395 -38.614 1.00 54.30 O ATOM 163 CB GLN A 173 -22.224 44.337 -39.824 1.00 50.41 C ATOM 164 CG GLN A 173 -23.603 43.853 -39.433 1.00 46.85 C ATOM 165 CD GLN A 173 -23.572 42.853 -38.298 1.00 61.27 C ATOM 166 OE1 GLN A 173 -23.826 43.200 -37.147 1.00 64.58 O ATOM 167 NE2 GLN A 173 -23.261 41.601 -38.617 1.00 69.33 N ATOM 168 HE22 GLN A 173 -23.053 41.352 -39.605 1.00 0.00 H ATOM 169 HE21 GLN A 173 -23.225 40.870 -37.878 1.00 0.00 H ATOM 170 H GLN A 173 -22.749 46.759 -39.209 1.00 0.00 H ATOM 171 N LEU A 174 -19.659 46.094 -40.008 1.00 52.64 N ATOM 172 CA LEU A 174 -18.267 46.325 -40.382 1.00 50.09 C ATOM 173 C LEU A 174 -17.451 46.716 -39.155 1.00 48.93 C ATOM 174 O LEU A 174 -16.401 46.138 -38.883 1.00 50.97 O ATOM 175 CB LEU A 174 -18.164 47.425 -41.441 1.00 52.83 C ATOM 176 CG LEU A 174 -16.780 47.712 -42.018 1.00 51.32 C ATOM 177 CD1 LEU A 174 -16.165 46.427 -42.544 1.00 44.08 C ATOM 178 CD2 LEU A 174 -16.850 48.765 -43.119 1.00 59.05 C ATOM 179 H LEU A 174 -20.406 46.663 -40.455 1.00 0.00 H ATOM 180 N LYS A 175 -17.958 47.691 -38.412 1.00 45.29 N ATOM 181 CA LYS A 175 -17.282 48.197 -37.225 1.00 46.43 C ATOM 182 C LYS A 175 -17.050 47.111 -36.175 1.00 49.84 C ATOM 183 O LYS A 175 -15.963 47.016 -35.608 1.00 49.34 O ATOM 184 CB LYS A 175 -18.063 49.372 -36.627 1.00 44.02 C ATOM 185 CG LYS A 175 -17.615 50.738 -37.139 1.00 52.03 C ATOM 186 CD LYS A 175 -17.585 50.788 -38.664 1.00 65.05 C ATOM 187 CE LYS A 175 -17.052 52.111 -39.188 1.00 73.59 C ATOM 188 NZ LYS A 175 -16.944 52.104 -40.676 1.00 66.41 N ATOM 189 HZ1 LYS A 175 -16.296 51.346 -40.972 1.00 0.00 H ATOM 190 HZ2 LYS A 175 -17.884 51.939 -41.090 1.00 0.00 H ATOM 191 HZ3 LYS A 175 -16.577 53.022 -41.000 1.00 0.00 H ATOM 192 H LYS A 175 -18.870 48.109 -38.687 1.00 0.00 H ATOM 193 N ASP A 176 -18.065 46.288 -35.929 1.00 49.68 N ATOM 194 CA ASP A 176 -17.965 45.245 -34.912 1.00 48.77 C ATOM 195 C ASP A 176 -17.038 44.111 -35.345 1.00 46.48 C ATOM 196 O ASP A 176 -16.230 43.625 -34.556 1.00 44.96 O ATOM 197 CB ASP A 176 -19.348 44.693 -34.561 1.00 53.79 C ATOM 198 CG ASP A 176 -19.327 43.797 -33.332 1.00 53.88 C ATOM 199 OD1 ASP A 176 -18.711 44.183 -32.316 1.00 51.20 O ATOM 200 OD2 ASP A 176 -19.928 42.704 -33.386 1.00 57.33 O ATOM 201 H ASP A 176 -18.947 46.389 -36.471 1.00 0.00 H ATOM 202 N ALA A 177 -17.157 43.689 -36.599 1.00 45.79 N ATOM 203 CA ALA A 177 -16.282 42.648 -37.121 1.00 42.12 C ATOM 204 C ALA A 177 -14.835 43.134 -37.203 1.00 44.06 C ATOM 205 O ALA A 177 -13.902 42.356 -37.015 1.00 42.51 O ATOM 206 CB ALA A 177 -16.766 42.171 -38.479 1.00 38.99 C ATOM 207 H ALA A 177 -17.883 44.107 -37.215 1.00 0.00 H ATOM 208 N LEU A 178 -14.653 44.423 -37.477 1.00 43.05 N ATOM 209 CA LEU A 178 -13.314 44.989 -37.604 1.00 40.85 C ATOM 210 C LEU A 178 -12.574 44.991 -36.279 1.00 38.28 C ATOM 211 O LEU A 178 -11.379 44.708 -36.229 1.00 43.07 O ATOM 212 CB LEU A 178 -13.361 46.410 -38.172 1.00 46.16 C ATOM 213 CG LEU A 178 -13.418 46.549 -39.694 1.00 38.42 C ATOM 214 CD1 LEU A 178 -13.368 48.016 -40.086 1.00 31.55 C ATOM 215 CD2 LEU A 178 -12.295 45.764 -40.355 1.00 29.15 C ATOM 216 H LEU A 178 -15.481 45.039 -37.603 1.00 0.00 H ATOM 217 N GLU A 179 -13.283 45.312 -35.204 1.00 41.60 N ATOM 218 CA GLU A 179 -12.658 45.375 -33.888 1.00 40.70 C ATOM 219 C GLU A 179 -12.499 43.981 -33.284 1.00 41.84 C ATOM 220 O GLU A 179 -11.826 43.815 -32.271 1.00 45.39 O ATOM 221 CB GLU A 179 -13.463 46.279 -32.948 1.00 40.68 C ATOM 222 CG GLU A 179 -14.856 45.772 -32.638 1.00 52.56 C ATOM 223 CD GLU A 179 -15.574 46.626 -31.612 1.00 66.90 C ATOM 224 OE1 GLU A 179 -14.919 47.485 -30.982 1.00 71.27 O ATOM 225 OE2 GLU A 179 -16.797 46.437 -31.439 1.00 69.19 O ATOM 226 H GLU A 179 -14.297 45.521 -35.301 1.00 0.00 H ATOM 227 N LYS A 180 -13.115 42.983 -33.913 1.00 39.30 N ATOM 228 CA LYS A 180 -13.062 41.610 -33.415 1.00 38.25 C ATOM 229 C LYS A 180 -11.916 40.814 -34.019 1.00 38.67 C ATOM 230 O LYS A 180 -11.263 40.032 -33.328 1.00 32.06 O ATOM 231 CB LYS A 180 -14.393 40.892 -33.645 1.00 36.36 C ATOM 232 CG LYS A 180 -15.458 41.237 -32.631 1.00 39.05 C ATOM 233 CD LYS A 180 -16.760 40.508 -32.906 1.00 41.67 C ATOM 234 CE LYS A 180 -17.824 40.902 -31.888 1.00 50.15 C ATOM 235 NZ LYS A 180 -19.171 40.337 -32.191 1.00 53.42 N ATOM 236 HZ1 LYS A 180 -19.487 40.677 -33.122 1.00 0.00 H ATOM 237 HZ2 LYS A 180 -19.116 39.299 -32.200 1.00 0.00 H ATOM 238 HZ3 LYS A 180 -19.846 40.643 -31.461 1.00 0.00 H ATOM 239 H LYS A 180 -13.649 43.186 -34.782 1.00 0.00 H ATOM 240 N ASN A 181 -11.689 41.000 -35.315 1.00 39.68 N ATOM 241 CA ASN A 181 -10.505 40.447 -35.955 1.00 34.15 C ATOM 242 C ASN A 181 -9.285 41.110 -35.337 1.00 33.62 C ATOM 243 O ASN A 181 -8.201 40.533 -35.264 1.00 34.73 O ATOM 244 CB ASN A 181 -10.545 40.686 -37.465 1.00 33.95 C ATOM 245 CG ASN A 181 -11.768 40.070 -38.114 1.00 36.16 C ATOM 246 OD1 ASN A 181 -12.468 39.265 -37.496 1.00 33.70 O ATOM 247 ND2 ASN A 181 -12.031 40.436 -39.365 1.00 34.37 N ATOM 248 HD22 ASN A 181 -11.413 41.119 -39.848 1.00 0.00 H ATOM 249 HD21 ASN A 181 -12.855 40.040 -39.860 1.00 0.00 H ATOM 250 H ASN A 181 -12.368 41.549 -35.880 1.00 0.00 H ATOM 251 N GLN A 182 -9.492 42.332 -34.863 1.00 33.15 N ATOM 252 CA GLN A 182 -8.448 43.104 -34.214 1.00 35.21 C ATOM 253 C GLN A 182 -8.186 42.588 -32.798 1.00 38.62 C ATOM 254 O GLN A 182 -7.077 42.719 -32.281 1.00 37.61 O ATOM 255 CB GLN A 182 -8.835 44.586 -34.196 1.00 33.04 C ATOM 256 CG GLN A 182 -7.699 45.535 -33.856 1.00 37.47 C ATOM 257 CD GLN A 182 -6.534 45.451 -34.833 1.00 43.65 C ATOM 258 OE1 GLN A 182 -6.699 45.076 -35.995 1.00 42.49 O ATOM 259 NE2 GLN A 182 -5.345 45.805 -34.360 1.00 46.39 N ATOM 260 HE22 GLN A 182 -5.250 46.116 -33.372 1.00 0.00 H ATOM 261 HE21 GLN A 182 -4.509 45.772 -34.977 1.00 0.00 H ATOM 262 H GLN A 182 -10.438 42.753 -34.960 1.00 0.00 H ATOM 263 N GLN A 183 -9.206 41.996 -32.180 1.00 37.12 N ATOM 264 CA GLN A 183 -9.056 41.386 -30.859 1.00 32.30 C ATOM 265 C GLN A 183 -8.499 39.965 -30.956 1.00 29.26 C ATOM 266 O GLN A 183 -7.800 39.500 -30.058 1.00 31.01 O ATOM 267 CB GLN A 183 -10.385 41.397 -30.098 1.00 30.63 C ATOM 268 CG GLN A 183 -10.745 42.759 -29.529 1.00 37.46 C ATOM 269 CD GLN A 183 -12.159 42.821 -28.987 1.00 38.54 C ATOM 270 OE1 GLN A 183 -12.898 41.842 -29.031 1.00 33.97 O ATOM 271 NE2 GLN A 183 -12.542 43.981 -28.472 1.00 46.36 N ATOM 272 HE22 GLN A 183 -11.883 44.785 -28.455 1.00 0.00 H ATOM 273 HE21 GLN A 183 -13.502 44.087 -28.085 1.00 0.00 H ATOM 274 H GLN A 183 -10.134 41.967 -32.649 1.00 0.00 H ATOM 275 N TRP A 184 -8.807 39.281 -32.052 1.00 26.84 N ATOM 276 CA TRP A 184 -8.234 37.968 -32.314 1.00 27.98 C ATOM 277 C TRP A 184 -6.712 38.041 -32.398 1.00 29.75 C ATOM 278 O TRP A 184 -6.017 37.076 -32.081 1.00 31.58 O ATOM 279 CB TRP A 184 -8.797 37.379 -33.609 1.00 27.17 C ATOM 280 CG TRP A 184 -10.086 36.659 -33.425 1.00 25.78 C ATOM 281 CD1 TRP A 184 -11.318 37.060 -33.846 1.00 27.56 C ATOM 282 CD2 TRP A 184 -10.275 35.408 -32.759 1.00 29.44 C ATOM 283 NE1 TRP A 184 -12.265 36.133 -33.486 1.00 26.94 N ATOM 284 CE2 TRP A 184 -11.649 35.109 -32.816 1.00 31.72 C ATOM 285 CE3 TRP A 184 -9.413 34.511 -32.117 1.00 29.35 C ATOM 286 CZ2 TRP A 184 -12.183 33.950 -32.257 1.00 34.22 C ATOM 287 CZ3 TRP A 184 -9.944 33.362 -31.563 1.00 26.15 C ATOM 288 CH2 TRP A 184 -11.317 33.090 -31.638 1.00 32.81 C ATOM 289 HE1 TRP A 184 -13.283 36.198 -33.689 1.00 0.00 H ATOM 290 H TRP A 184 -9.472 39.692 -32.738 1.00 0.00 H ATOM 291 N LEU A 185 -6.200 39.189 -32.830 1.00 29.98 N ATOM 292 CA LEU A 185 -4.761 39.382 -32.957 1.00 29.37 C ATOM 293 C LEU A 185 -4.096 39.346 -31.589 1.00 28.59 C ATOM 294 O LEU A 185 -3.114 38.635 -31.383 1.00 25.59 O ATOM 295 CB LEU A 185 -4.453 40.709 -33.657 1.00 25.32 C ATOM 296 CG LEU A 185 -2.970 41.032 -33.853 1.00 23.31 C ATOM 297 CD1 LEU A 185 -2.298 39.946 -34.673 1.00 23.63 C ATOM 298 CD2 LEU A 185 -2.787 42.394 -34.508 1.00 29.40 C ATOM 299 H LEU A 185 -6.841 39.968 -33.083 1.00 0.00 H ATOM 300 N VAL A 186 -4.643 40.116 -30.656 1.00 27.96 N ATOM 301 CA VAL A 186 -4.106 40.183 -29.305 1.00 25.94 C ATOM 302 C VAL A 186 -4.210 38.827 -28.616 1.00 24.92 C ATOM 303 O VAL A 186 -3.274 38.386 -27.950 1.00 26.96 O ATOM 304 CB VAL A 186 -4.831 41.258 -28.476 1.00 25.53 C ATOM 305 CG1 VAL A 186 -4.376 41.220 -27.025 1.00 27.83 C ATOM 306 CG2 VAL A 186 -4.591 42.629 -29.080 1.00 22.80 C ATOM 307 H VAL A 186 -5.478 40.687 -30.897 1.00 0.00 H ATOM 308 N TYR A 187 -5.345 38.161 -28.797 1.00 23.80 N ATOM 309 CA TYR A 187 -5.559 36.848 -28.205 1.00 24.62 C ATOM 310 C TYR A 187 -4.560 35.827 -28.736 1.00 23.28 C ATOM 311 O TYR A 187 -3.927 35.103 -27.968 1.00 24.34 O ATOM 312 CB TYR A 187 -6.986 36.366 -28.466 1.00 26.71 C ATOM 313 CG TYR A 187 -7.261 34.973 -27.945 1.00 29.12 C ATOM 314 CD1 TYR A 187 -7.398 34.733 -26.582 1.00 25.74 C ATOM 315 CD2 TYR A 187 -7.386 33.899 -28.815 1.00 26.06 C ATOM 316 CE1 TYR A 187 -7.649 33.463 -26.103 1.00 25.58 C ATOM 317 CE2 TYR A 187 -7.637 32.624 -28.345 1.00 24.19 C ATOM 318 CZ TYR A 187 -7.769 32.412 -26.989 1.00 25.53 C ATOM 319 OH TYR A 187 -8.018 31.143 -26.519 1.00 25.42 O ATOM 320 HH TYR A 187 -8.084 31.165 -25.531 1.00 0.00 H ATOM 321 H TYR A 187 -6.098 38.587 -29.375 1.00 0.00 H ATOM 322 N ASP A 188 -4.418 35.778 -30.055 1.00 24.29 N ATOM 323 CA ASP A 188 -3.522 34.817 -30.681 1.00 21.73 C ATOM 324 C ASP A 188 -2.051 35.116 -30.401 1.00 21.35 C ATOM 325 O ASP A 188 -1.228 34.203 -30.341 1.00 21.05 O ATOM 326 CB ASP A 188 -3.767 34.752 -32.184 1.00 17.83 C ATOM 327 CG ASP A 188 -3.077 33.576 -32.825 1.00 19.97 C ATOM 328 OD1 ASP A 188 -3.512 32.435 -32.569 1.00 23.06 O ATOM 329 OD2 ASP A 188 -2.103 33.787 -33.578 1.00 18.85 O ATOM 330 H ASP A 188 -4.957 36.438 -30.652 1.00 0.00 H ATOM 331 N GLN A 189 -1.722 36.393 -30.235 1.00 24.38 N ATOM 332 CA GLN A 189 -0.357 36.788 -29.905 1.00 22.28 C ATOM 333 C GLN A 189 0.018 36.282 -28.520 1.00 24.57 C ATOM 334 O GLN A 189 1.186 36.006 -28.244 1.00 23.07 O ATOM 335 CB GLN A 189 -0.200 38.306 -29.967 1.00 19.11 C ATOM 336 CG GLN A 189 0.013 38.849 -31.363 1.00 27.75 C ATOM 337 CD GLN A 189 0.139 40.357 -31.382 1.00 29.99 C ATOM 338 OE1 GLN A 189 -0.483 41.053 -30.579 1.00 26.71 O ATOM 339 NE2 GLN A 189 0.953 40.872 -32.296 1.00 30.77 N ATOM 340 HE22 GLN A 189 1.458 40.245 -32.954 1.00 0.00 H ATOM 341 HE21 GLN A 189 1.085 41.902 -32.353 1.00 0.00 H ATOM 342 H GLN A 189 -2.452 37.125 -30.343 1.00 0.00 H ATOM 343 N GLN A 190 -0.987 36.169 -27.657 1.00 21.65 N ATOM 344 CA GLN A 190 -0.795 35.662 -26.307 1.00 20.13 C ATOM 345 C GLN A 190 -0.681 34.140 -26.298 1.00 23.23 C ATOM 346 O GLN A 190 0.121 33.575 -25.550 1.00 22.81 O ATOM 347 CB GLN A 190 -1.942 36.108 -25.397 1.00 19.74 C ATOM 348 CG GLN A 190 -1.888 37.570 -24.994 1.00 23.98 C ATOM 349 CD GLN A 190 -0.655 37.907 -24.176 1.00 29.50 C ATOM 350 OE1 GLN A 190 -0.466 37.396 -23.070 1.00 27.97 O ATOM 351 NE2 GLN A 190 0.197 38.769 -24.721 1.00 26.83 N ATOM 352 HE22 GLN A 190 -0.002 39.176 -25.657 1.00 0.00 H ATOM 353 HE21 GLN A 190 1.063 39.037 -24.211 1.00 0.00 H ATOM 354 H GLN A 190 -1.942 36.452 -27.957 1.00 0.00 H ATOM 355 N ARG A 191 -1.488 33.478 -27.122 1.00 19.40 N ATOM 356 CA ARG A 191 -1.419 32.027 -27.225 1.00 19.11 C ATOM 357 C ARG A 191 -0.045 31.609 -27.732 1.00 21.03 C ATOM 358 O ARG A 191 0.493 30.580 -27.318 1.00 19.23 O ATOM 359 CB ARG A 191 -2.523 31.476 -28.133 1.00 18.55 C ATOM 360 CG ARG A 191 -2.414 29.974 -28.403 1.00 17.40 C ATOM 361 CD ARG A 191 -3.713 29.400 -28.943 1.00 17.29 C ATOM 362 NE ARG A 191 -4.233 30.184 -30.056 1.00 25.18 N ATOM 363 CZ ARG A 191 -5.516 30.229 -30.402 1.00 26.31 C ATOM 364 NH1 ARG A 191 -6.412 29.534 -29.716 1.00 28.06 N ATOM 365 NH2 ARG A 191 -5.904 30.971 -31.430 1.00 24.64 N ATOM 366 HE ARG A 191 -3.558 30.744 -30.615 1.00 0.00 H ATOM 367 HH12 ARG A 191 -7.416 29.569 -29.987 1.00 0.00 H ATOM 368 HH11 ARG A 191 -6.112 28.953 -28.907 1.00 0.00 H ATOM 369 HH22 ARG A 191 -6.908 31.004 -31.698 1.00 0.00 H ATOM 370 HH21 ARG A 191 -5.204 31.520 -31.969 1.00 0.00 H ATOM 371 H ARG A 191 -2.176 34.002 -27.699 1.00 0.00 H ATOM 372 N GLU A 192 0.527 32.423 -28.614 1.00 21.63 N ATOM 373 CA GLU A 192 1.854 32.146 -29.153 1.00 22.81 C ATOM 374 C GLU A 192 2.929 32.223 -28.076 1.00 22.13 C ATOM 375 O GLU A 192 3.906 31.476 -28.116 1.00 19.91 O ATOM 376 CB GLU A 192 2.181 33.087 -30.313 1.00 20.69 C ATOM 377 CG GLU A 192 1.493 32.702 -31.610 1.00 24.84 C ATOM 378 CD GLU A 192 1.823 31.283 -32.036 1.00 26.11 C ATOM 379 OE1 GLU A 192 3.017 30.912 -31.989 1.00 27.67 O ATOM 380 OE2 GLU A 192 0.891 30.536 -32.407 1.00 25.62 O ATOM 381 H GLU A 192 0.018 33.275 -28.926 1.00 0.00 H ATOM 382 N VAL A 193 2.745 33.125 -27.116 1.00 17.72 N ATOM 383 CA VAL A 193 3.646 33.206 -25.976 1.00 17.05 C ATOM 384 C VAL A 193 3.610 31.883 -25.224 1.00 19.45 C ATOM 385 O VAL A 193 4.650 31.319 -24.887 1.00 21.13 O ATOM 386 CB VAL A 193 3.266 34.360 -25.022 1.00 21.08 C ATOM 387 CG1 VAL A 193 4.010 34.234 -23.699 1.00 18.36 C ATOM 388 CG2 VAL A 193 3.554 35.704 -25.669 1.00 18.61 C ATOM 389 H VAL A 193 1.943 33.784 -27.181 1.00 0.00 H ATOM 390 N TYR A 194 2.401 31.383 -24.993 1.00 19.75 N ATOM 391 CA TYR A 194 2.201 30.127 -24.279 1.00 19.26 C ATOM 392 C TYR A 194 2.780 28.942 -25.048 1.00 21.85 C ATOM 393 O TYR A 194 3.456 28.091 -24.474 1.00 22.26 O ATOM 394 CB TYR A 194 0.710 29.909 -24.014 1.00 17.38 C ATOM 395 CG TYR A 194 0.402 28.727 -23.126 1.00 18.90 C ATOM 396 CD1 TYR A 194 0.721 28.748 -21.774 1.00 21.89 C ATOM 397 CD2 TYR A 194 -0.223 27.597 -23.635 1.00 20.44 C ATOM 398 CE1 TYR A 194 0.435 27.671 -20.953 1.00 21.52 C ATOM 399 CE2 TYR A 194 -0.515 26.515 -22.823 1.00 22.95 C ATOM 400 CZ TYR A 194 -0.182 26.555 -21.483 1.00 23.28 C ATOM 401 OH TYR A 194 -0.472 25.478 -20.674 1.00 21.83 O ATOM 402 HH TYR A 194 -1.449 25.319 -20.676 1.00 0.00 H ATOM 403 H TYR A 194 1.568 31.905 -25.333 1.00 0.00 H ATOM 404 N VAL A 195 2.513 28.896 -26.350 1.00 23.24 N ATOM 405 CA VAL A 195 3.009 27.820 -27.200 1.00 20.36 C ATOM 406 C VAL A 195 4.536 27.770 -27.221 1.00 23.81 C ATOM 407 O VAL A 195 5.133 26.702 -27.051 1.00 25.50 O ATOM 408 CB VAL A 195 2.469 27.943 -28.633 1.00 17.48 C ATOM 409 CG1 VAL A 195 3.185 26.971 -29.557 1.00 16.65 C ATOM 410 CG2 VAL A 195 0.971 27.690 -28.648 1.00 17.23 C ATOM 411 H VAL A 195 1.934 29.649 -26.774 1.00 0.00 H ATOM 412 N LYS A 196 5.164 28.924 -27.417 1.00 21.00 N ATOM 413 CA LYS A 196 6.618 29.004 -27.400 1.00 20.06 C ATOM 414 C LYS A 196 7.179 28.542 -26.057 1.00 24.65 C ATOM 415 O LYS A 196 8.272 27.977 -25.994 1.00 28.53 O ATOM 416 CB LYS A 196 7.089 30.424 -27.724 1.00 26.44 C ATOM 417 CG LYS A 196 6.903 30.830 -29.184 1.00 26.18 C ATOM 418 CD LYS A 196 7.446 32.232 -29.430 1.00 43.72 C ATOM 419 CE LYS A 196 7.256 32.677 -30.875 1.00 51.17 C ATOM 420 NZ LYS A 196 5.838 33.003 -31.197 1.00 43.76 N ATOM 421 HZ1 LYS A 196 5.246 32.162 -31.043 1.00 0.00 H ATOM 422 HZ2 LYS A 196 5.512 33.775 -30.581 1.00 0.00 H ATOM 423 HZ3 LYS A 196 5.769 33.299 -32.192 1.00 0.00 H ATOM 424 H LYS A 196 4.607 29.786 -27.586 1.00 0.00 H ATOM 425 N GLY A 197 6.421 28.773 -24.989 1.00 25.00 N ATOM 426 CA GLY A 197 6.798 28.303 -23.668 1.00 19.46 C ATOM 427 C GLY A 197 6.738 26.789 -23.574 1.00 21.98 C ATOM 428 O GLY A 197 7.672 26.151 -23.092 1.00 25.40 O ATOM 429 H GLY A 197 5.534 29.305 -25.103 1.00 0.00 H ATOM 430 N LEU A 198 5.635 26.212 -24.039 1.00 22.31 N ATOM 431 CA LEU A 198 5.462 24.765 -24.026 1.00 20.63 C ATOM 432 C LEU A 198 6.525 24.067 -24.861 1.00 25.38 C ATOM 433 O LEU A 198 7.066 23.040 -24.451 1.00 24.38 O ATOM 434 CB LEU A 198 4.078 24.382 -24.543 1.00 20.59 C ATOM 435 CG LEU A 198 2.882 24.739 -23.666 1.00 19.22 C ATOM 436 CD1 LEU A 198 1.640 24.052 -24.205 1.00 22.60 C ATOM 437 CD2 LEU A 198 3.137 24.344 -22.226 1.00 18.12 C ATOM 438 H LEU A 198 4.875 26.809 -24.423 1.00 0.00 H ATOM 439 N LEU A 199 6.812 24.622 -26.037 1.00 26.17 N ATOM 440 CA LEU A 199 7.833 24.060 -26.916 1.00 24.61 C ATOM 441 C LEU A 199 9.211 24.045 -26.250 1.00 30.44 C ATOM 442 O LEU A 199 9.936 23.052 -26.336 1.00 32.25 O ATOM 443 CB LEU A 199 7.884 24.811 -28.247 1.00 16.87 C ATOM 444 CG LEU A 199 6.708 24.570 -29.196 1.00 20.57 C ATOM 445 CD1 LEU A 199 6.850 25.401 -30.461 1.00 16.44 C ATOM 446 CD2 LEU A 199 6.580 23.095 -29.535 1.00 17.95 C ATOM 447 H LEU A 199 6.297 25.475 -26.336 1.00 0.00 H ATOM 448 N ALA A 200 9.565 25.140 -25.582 1.00 25.88 N ATOM 449 CA ALA A 200 10.818 25.201 -24.834 1.00 27.45 C ATOM 450 C ALA A 200 10.803 24.186 -23.693 1.00 33.79 C ATOM 451 O ALA A 200 11.830 23.604 -23.348 1.00 38.40 O ATOM 452 CB ALA A 200 11.050 26.603 -24.295 1.00 25.10 C ATOM 453 H ALA A 200 8.937 25.969 -25.593 1.00 0.00 H ATOM 454 N LYS A 201 9.622 23.975 -23.121 1.00 30.41 N ATOM 455 CA LYS A 201 9.443 23.021 -22.036 1.00 24.93 C ATOM 456 C LYS A 201 9.580 21.581 -22.532 1.00 30.35 C ATOM 457 O LYS A 201 10.219 20.757 -21.883 1.00 37.36 O ATOM 458 CB LYS A 201 8.080 23.236 -21.378 1.00 24.20 C ATOM 459 CG LYS A 201 7.817 22.370 -20.165 1.00 25.80 C ATOM 460 CD LYS A 201 6.545 22.812 -19.457 1.00 24.43 C ATOM 461 CE LYS A 201 6.344 22.059 -18.154 1.00 26.33 C ATOM 462 NZ LYS A 201 5.139 22.540 -17.432 1.00 30.13 N ATOM 463 HZ1 LYS A 201 5.246 23.552 -17.216 1.00 0.00 H ATOM 464 HZ2 LYS A 201 4.299 22.399 -18.029 1.00 0.00 H ATOM 465 HZ3 LYS A 201 5.030 22.005 -16.547 1.00 0.00 H ATOM 466 H LYS A 201 8.797 24.510 -23.460 1.00 0.00 H ATOM 467 N ILE A 202 8.978 21.281 -23.680 1.00 31.42 N ATOM 468 CA ILE A 202 9.101 19.960 -24.288 1.00 29.76 C ATOM 469 C ILE A 202 10.557 19.690 -24.639 1.00 34.73 C ATOM 470 O ILE A 202 11.053 18.574 -24.494 1.00 38.93 O ATOM 471 CB ILE A 202 8.263 19.855 -25.576 1.00 26.90 C ATOM 472 CG1 ILE A 202 6.775 20.007 -25.269 1.00 34.92 C ATOM 473 CG2 ILE A 202 8.506 18.528 -26.269 1.00 31.74 C ATOM 474 CD1 ILE A 202 5.894 19.921 -26.496 1.00 29.22 C ATOM 475 H ILE A 202 8.405 22.007 -24.156 1.00 0.00 H ATOM 476 N PHE A 203 11.239 20.734 -25.091 1.00 36.72 N ATOM 477 CA PHE A 203 12.631 20.628 -25.503 1.00 36.68 C ATOM 478 C PHE A 203 13.562 20.338 -24.329 1.00 39.34 C ATOM 479 O PHE A 203 14.652 19.803 -24.519 1.00 45.85 O ATOM 480 CB PHE A 203 13.055 21.908 -26.226 1.00 38.11 C ATOM 481 CG PHE A 203 14.452 21.866 -26.778 1.00 45.36 C ATOM 482 CD1 PHE A 203 14.707 21.275 -28.005 1.00 41.68 C ATOM 483 CD2 PHE A 203 15.508 22.436 -26.078 1.00 45.37 C ATOM 484 CE1 PHE A 203 15.990 21.240 -28.523 1.00 37.35 C ATOM 485 CE2 PHE A 203 16.794 22.406 -26.586 1.00 42.44 C ATOM 486 CZ PHE A 203 17.035 21.808 -27.811 1.00 34.64 C ATOM 487 H PHE A 203 10.764 21.657 -25.153 1.00 0.00 H ATOM 488 N GLU A 204 13.139 20.692 -23.119 1.00 39.20 N ATOM 489 CA GLU A 204 13.928 20.395 -21.925 1.00 41.41 C ATOM 490 C GLU A 204 13.643 18.988 -21.407 1.00 41.34 C ATOM 491 O GLU A 204 14.531 18.316 -20.879 1.00 48.08 O ATOM 492 CB GLU A 204 13.661 21.423 -20.825 1.00 38.98 C ATOM 493 CG GLU A 204 14.120 22.823 -21.180 1.00 39.43 C ATOM 494 CD GLU A 204 15.591 22.869 -21.523 1.00 45.19 C ATOM 495 OE1 GLU A 204 15.945 23.494 -22.544 1.00 49.33 O ATOM 496 OE2 GLU A 204 16.393 22.276 -20.771 1.00 48.55 O ATOM 497 H GLU A 204 12.231 21.189 -23.021 1.00 0.00 H ATOM 498 N LEU A 205 12.399 18.547 -21.565 1.00 37.26 N ATOM 499 CA LEU A 205 12.002 17.189 -21.210 1.00 39.46 C ATOM 500 C LEU A 205 12.602 16.159 -22.169 1.00 47.80 C ATOM 501 O LEU A 205 12.614 14.965 -21.876 1.00 52.52 O ATOM 502 CB LEU A 205 10.478 17.072 -21.211 1.00 35.56 C ATOM 503 CG LEU A 205 9.743 17.802 -20.089 1.00 34.62 C ATOM 504 CD1 LEU A 205 8.251 17.824 -20.365 1.00 33.20 C ATOM 505 CD2 LEU A 205 10.030 17.143 -18.752 1.00 34.29 C ATOM 506 H LEU A 205 11.684 19.193 -21.955 1.00 0.00 H ATOM 507 N GLU A 206 13.091 16.621 -23.316 1.00 46.61 N ATOM 508 CA GLU A 206 13.701 15.728 -24.293 1.00 48.92 C ATOM 509 C GLU A 206 15.206 15.605 -24.078 1.00 52.63 C ATOM 510 O GLU A 206 15.830 14.648 -24.529 1.00 54.51 O ATOM 511 CB GLU A 206 13.372 16.176 -25.721 1.00 43.23 C ATOM 512 CG GLU A 206 11.932 15.920 -26.144 1.00 43.99 C ATOM 513 CD GLU A 206 11.611 16.457 -27.531 1.00 49.86 C ATOM 514 OE1 GLU A 206 12.271 17.422 -27.970 1.00 46.34 O ATOM 515 OE2 GLU A 206 10.693 15.908 -28.180 1.00 51.37 O ATOM 516 H GLU A 206 13.037 17.639 -23.520 1.00 0.00 H ATOM 517 N LYS A 207 15.785 16.582 -23.390 1.00 47.21 N ATOM 518 CA LYS A 207 17.177 16.483 -22.966 1.00 47.45 C ATOM 519 C LYS A 207 17.296 15.427 -21.863 1.00 60.20 C ATOM 520 O LYS A 207 18.342 14.797 -21.695 1.00 69.88 O ATOM 521 CB LYS A 207 17.701 17.840 -22.485 1.00 51.93 C ATOM 522 CG LYS A 207 17.811 18.886 -23.597 1.00 47.18 C ATOM 523 CD LYS A 207 18.135 20.272 -23.042 1.00 54.38 C ATOM 524 CE LYS A 207 19.428 20.269 -22.242 1.00 58.66 C ATOM 525 NZ LYS A 207 19.812 21.635 -21.777 1.00 58.15 N ATOM 526 HZ1 LYS A 207 19.944 22.256 -22.601 1.00 0.00 H ATOM 527 HZ2 LYS A 207 19.059 22.018 -21.170 1.00 0.00 H ATOM 528 HZ3 LYS A 207 20.699 21.579 -21.237 1.00 0.00 H ATOM 529 H LYS A 207 15.237 17.432 -23.149 1.00 0.00 H ATOM 530 N LYS A 208 16.207 15.228 -21.125 1.00 59.21 N ATOM 531 CA LYS A 208 16.134 14.174 -20.120 1.00 60.76 C ATOM 532 C LYS A 208 15.640 12.874 -20.752 1.00 65.81 C ATOM 533 O LYS A 208 14.680 12.264 -20.274 1.00 65.44 O ATOM 534 CB LYS A 208 15.220 14.599 -18.968 1.00 56.19 C ATOM 535 CG LYS A 208 15.729 15.796 -18.184 1.00 57.41 C ATOM 536 CD LYS A 208 14.850 16.067 -16.977 1.00 51.09 C ATOM 537 CE LYS A 208 15.527 17.038 -16.026 1.00 60.82 C ATOM 538 NZ LYS A 208 14.669 17.358 -14.850 1.00 49.81 N ATOM 539 HZ1 LYS A 208 13.781 17.789 -15.177 1.00 0.00 H ATOM 540 HZ2 LYS A 208 14.459 16.484 -14.327 1.00 0.00 H ATOM 541 HZ3 LYS A 208 15.170 18.024 -14.228 1.00 0.00 H ATOM 542 H LYS A 208 15.381 15.844 -21.270 1.00 0.00 H ATOM 543 N THR A 209 16.303 12.462 -21.831 1.00 69.76 N ATOM 544 CA THR A 209 15.927 11.254 -22.562 1.00 75.27 C ATOM 545 C THR A 209 17.091 10.736 -23.413 1.00 83.46 C ATOM 546 O THR A 209 18.062 11.453 -23.669 1.00 82.28 O ATOM 547 CB THR A 209 14.684 11.491 -23.464 1.00 75.96 C ATOM 548 OG1 THR A 209 13.714 10.463 -23.233 1.00 76.40 O ATOM 549 CG2 THR A 209 15.070 11.492 -24.943 1.00 72.92 C ATOM 550 HG1 THR A 209 12.925 10.620 -23.810 1.00 0.00 H ATOM 551 H THR A 209 17.116 13.019 -22.165 1.00 0.00 H TER 552 THR A 209 ATOM 553 N SER B 159 -21.016 64.165 -54.616 1.00 80.99 N ATOM 554 CA SER B 159 -22.150 63.647 -55.376 1.00 77.85 C ATOM 555 C SER B 159 -22.671 62.329 -54.802 1.00 77.85 C ATOM 556 O SER B 159 -21.935 61.591 -54.144 1.00 78.72 O ATOM 557 CB SER B 159 -21.773 63.477 -56.850 1.00 69.90 C ATOM 558 OG SER B 159 -20.605 62.690 -56.987 1.00 65.65 O ATOM 559 HG SER B 159 -20.383 62.595 -57.947 1.00 0.00 H ATOM 560 HN3 SER B 159 -20.241 63.472 -54.637 1.00 0.00 H ATOM 561 HN2 SER B 159 -21.307 64.332 -53.632 1.00 0.00 H ATOM 562 HN1 SER B 159 -20.695 65.059 -55.040 1.00 0.00 H ATOM 563 N PHE B 160 -23.945 62.048 -55.060 1.00 77.57 N ATOM 564 CA PHE B 160 -24.600 60.841 -54.567 1.00 74.19 C ATOM 565 C PHE B 160 -23.976 59.570 -55.148 1.00 74.48 C ATOM 566 O PHE B 160 -23.787 58.582 -54.436 1.00 74.73 O ATOM 567 CB PHE B 160 -26.102 60.884 -54.884 1.00 72.50 C ATOM 568 CG PHE B 160 -26.856 61.969 -54.154 1.00 73.99 C ATOM 569 CD1 PHE B 160 -26.538 62.305 -52.845 1.00 72.35 C ATOM 570 CD2 PHE B 160 -27.890 62.651 -54.780 1.00 67.24 C ATOM 571 CE1 PHE B 160 -27.236 63.303 -52.178 1.00 68.66 C ATOM 572 CE2 PHE B 160 -28.590 63.648 -54.118 1.00 61.81 C ATOM 573 CZ PHE B 160 -28.263 63.973 -52.817 1.00 61.08 C ATOM 574 H PHE B 160 -24.497 62.715 -55.636 1.00 0.00 H ATOM 575 N ASN B 161 -23.659 59.600 -56.441 1.00 73.82 N ATOM 576 CA ASN B 161 -23.018 58.468 -57.109 1.00 70.87 C ATOM 577 C ASN B 161 -21.646 58.168 -56.512 1.00 69.77 C ATOM 578 O ASN B 161 -21.146 57.044 -56.596 1.00 61.99 O ATOM 579 CB ASN B 161 -22.892 58.739 -58.611 1.00 69.06 C ATOM 580 CG ASN B 161 -22.451 57.515 -59.394 1.00 71.53 C ATOM 581 OD1 ASN B 161 -21.306 57.428 -59.840 1.00 67.47 O ATOM 582 ND2 ASN B 161 -23.361 56.562 -59.565 1.00 70.14 N ATOM 583 HD22 ASN B 161 -24.316 56.678 -59.170 1.00 0.00 H ATOM 584 HD21 ASN B 161 -23.118 55.700 -60.093 1.00 0.00 H ATOM 585 H ASN B 161 -23.874 60.455 -56.993 1.00 0.00 H ATOM 586 N SER B 162 -21.044 59.188 -55.909 1.00 71.61 N ATOM 587 CA SER B 162 -19.803 59.027 -55.167 1.00 70.25 C ATOM 588 C SER B 162 -20.063 58.361 -53.818 1.00 70.89 C ATOM 589 O SER B 162 -19.219 57.623 -53.312 1.00 71.52 O ATOM 590 CB SER B 162 -19.123 60.381 -54.961 1.00 67.01 C ATOM 591 OG SER B 162 -18.261 60.352 -53.839 1.00 65.62 O ATOM 592 HG SER B 162 -18.784 60.133 -53.028 1.00 0.00 H ATOM 593 H SER B 162 -21.474 60.133 -55.970 1.00 0.00 H ATOM 594 N SER B 163 -21.234 58.622 -53.242 1.00 68.88 N ATOM 595 CA SER B 163 -21.593 58.051 -51.946 1.00 66.32 C ATOM 596 C SER B 163 -22.065 56.609 -52.072 1.00 63.52 C ATOM 597 O SER B 163 -21.837 55.793 -51.182 1.00 66.28 O ATOM 598 CB SER B 163 -22.668 58.892 -51.261 1.00 66.26 C ATOM 599 OG SER B 163 -22.179 60.187 -50.971 1.00 68.43 O ATOM 600 HG SER B 163 -21.911 60.633 -51.813 1.00 0.00 H ATOM 601 H SER B 163 -21.910 59.247 -53.726 1.00 0.00 H ATOM 602 N ILE B 164 -22.732 56.306 -53.180 1.00 62.26 N ATOM 603 CA ILE B 164 -23.174 54.947 -53.453 1.00 61.70 C ATOM 604 C ILE B 164 -21.963 54.055 -53.714 1.00 64.31 C ATOM 605 O ILE B 164 -21.965 52.871 -53.378 1.00 68.53 O ATOM 606 CB ILE B 164 -24.154 54.905 -54.641 1.00 65.27 C ATOM 607 CG1 ILE B 164 -25.385 55.757 -54.328 1.00 64.80 C ATOM 608 CG2 ILE B 164 -24.569 53.476 -54.959 1.00 61.32 C ATOM 609 CD1 ILE B 164 -26.482 55.653 -55.359 1.00 68.19 C ATOM 610 H ILE B 164 -22.943 57.057 -53.868 1.00 0.00 H ATOM 611 N ASN B 165 -20.919 54.637 -54.295 1.00 65.60 N ATOM 612 CA ASN B 165 -19.671 53.914 -54.510 1.00 67.70 C ATOM 613 C ASN B 165 -18.996 53.519 -53.199 1.00 62.45 C ATOM 614 O ASN B 165 -18.392 52.451 -53.101 1.00 56.89 O ATOM 615 CB ASN B 165 -18.711 54.727 -55.379 1.00 66.46 C ATOM 616 CG ASN B 165 -18.667 54.234 -56.809 1.00 68.69 C ATOM 617 OD1 ASN B 165 -19.584 53.553 -57.268 1.00 71.24 O ATOM 618 ND2 ASN B 165 -17.596 54.568 -57.519 1.00 77.97 N ATOM 619 HD22 ASN B 165 -16.846 55.145 -57.088 1.00 0.00 H ATOM 620 HD21 ASN B 165 -17.507 54.252 -58.506 1.00 0.00 H ATOM 621 H ASN B 165 -20.994 55.628 -54.602 1.00 0.00 H ATOM 622 N ASN B 166 -19.102 54.386 -52.196 1.00 59.45 N ATOM 623 CA ASN B 166 -18.555 54.096 -50.875 1.00 61.74 C ATOM 624 C ASN B 166 -19.295 52.950 -50.195 1.00 59.28 C ATOM 625 O ASN B 166 -18.678 52.078 -49.583 1.00 62.42 O ATOM 626 CB ASN B 166 -18.592 55.340 -49.986 1.00 60.60 C ATOM 627 CG ASN B 166 -17.738 56.466 -50.528 1.00 68.46 C ATOM 628 OD1 ASN B 166 -16.877 56.252 -51.382 1.00 63.94 O ATOM 629 ND2 ASN B 166 -17.969 57.676 -50.030 1.00 68.07 N ATOM 630 HD22 ASN B 166 -18.707 57.810 -49.310 1.00 0.00 H ATOM 631 HD21 ASN B 166 -17.412 58.489 -50.361 1.00 0.00 H ATOM 632 H ASN B 166 -19.586 55.292 -52.357 1.00 0.00 H ATOM 633 N ILE B 167 -20.620 52.963 -50.307 1.00 54.56 N ATOM 634 CA ILE B 167 -21.451 51.904 -49.750 1.00 52.90 C ATOM 635 C ILE B 167 -21.101 50.558 -50.381 1.00 57.19 C ATOM 636 O ILE B 167 -21.090 49.527 -49.704 1.00 60.19 O ATOM 637 CB ILE B 167 -22.947 52.198 -49.955 1.00 54.50 C ATOM 638 CG1 ILE B 167 -23.306 53.582 -49.408 1.00 60.84 C ATOM 639 CG2 ILE B 167 -23.789 51.125 -49.307 1.00 54.08 C ATOM 640 CD1 ILE B 167 -22.866 53.819 -47.982 1.00 57.15 C ATOM 641 H ILE B 167 -21.076 53.752 -50.807 1.00 0.00 H ATOM 642 N HIS B 168 -20.810 50.577 -51.679 1.00 59.02 N ATOM 643 CA HIS B 168 -20.328 49.394 -52.386 1.00 60.14 C ATOM 644 C HIS B 168 -18.996 48.924 -51.798 1.00 58.93 C ATOM 645 O HIS B 168 -18.773 47.725 -51.631 1.00 60.60 O ATOM 646 CB HIS B 168 -20.166 49.693 -53.882 1.00 60.15 C ATOM 647 CG HIS B 168 -21.218 49.069 -54.745 1.00 69.46 C ATOM 648 ND1 HIS B 168 -22.368 49.735 -55.119 1.00 71.57 N ATOM 649 CD2 HIS B 168 -21.294 47.843 -55.313 1.00 72.18 C ATOM 650 CE1 HIS B 168 -23.105 48.944 -55.876 1.00 69.77 C ATOM 651 NE2 HIS B 168 -22.476 47.788 -56.009 1.00 76.06 N ATOM 652 H HIS B 168 -20.930 51.464 -52.208 1.00 0.00 H ATOM 653 N GLU B 169 -18.122 49.881 -51.489 1.00 56.00 N ATOM 654 CA GLU B 169 -16.825 49.590 -50.883 1.00 57.60 C ATOM 655 C GLU B 169 -16.992 49.055 -49.467 1.00 56.27 C ATOM 656 O GLU B 169 -16.320 48.103 -49.067 1.00 55.11 O ATOM 657 CB GLU B 169 -15.942 50.843 -50.872 1.00 63.67 C ATOM 658 CG GLU B 169 -14.560 50.638 -50.255 1.00 70.28 C ATOM 659 CD GLU B 169 -13.639 49.823 -51.145 1.00 69.72 C ATOM 660 OE1 GLU B 169 -13.630 50.064 -52.371 1.00 68.37 O ATOM 661 OE2 GLU B 169 -12.923 48.944 -50.618 1.00 62.56 O ATOM 662 H GLU B 169 -18.372 50.871 -51.686 1.00 0.00 H ATOM 663 N MET B 170 -17.892 49.679 -48.713 1.00 58.33 N ATOM 664 CA MET B 170 -18.205 49.238 -47.356 1.00 54.90 C ATOM 665 C MET B 170 -18.672 47.783 -47.346 1.00 56.32 C ATOM 666 O MET B 170 -18.306 47.005 -46.463 1.00 60.72 O ATOM 667 CB MET B 170 -19.277 50.135 -46.728 1.00 52.59 C ATOM 668 CG MET B 170 -19.707 49.705 -45.334 1.00 63.93 C ATOM 669 SD MET B 170 -20.727 50.925 -44.475 1.00 75.00 S ATOM 670 CE MET B 170 -22.114 51.071 -45.598 1.00 67.56 C ATOM 671 H MET B 170 -18.388 50.506 -49.101 1.00 0.00 H ATOM 672 N GLU B 171 -19.473 47.420 -48.342 1.00 53.37 N ATOM 673 CA GLU B 171 -19.954 46.054 -48.469 1.00 51.54 C ATOM 674 C GLU B 171 -18.799 45.107 -48.762 1.00 55.57 C ATOM 675 O GLU B 171 -18.760 43.989 -48.248 1.00 63.09 O ATOM 676 CB GLU B 171 -21.001 45.948 -49.576 1.00 59.44 C ATOM 677 CG GLU B 171 -21.573 44.548 -49.738 1.00 65.66 C ATOM 678 CD GLU B 171 -22.021 44.258 -51.157 1.00 77.15 C ATOM 679 OE1 GLU B 171 -21.767 45.097 -52.047 1.00 78.29 O ATOM 680 OE2 GLU B 171 -22.624 43.187 -51.384 1.00 76.92 O ATOM 681 H GLU B 171 -19.762 48.129 -49.046 1.00 0.00 H ATOM 682 N ILE B 172 -17.864 45.556 -49.595 1.00 53.61 N ATOM 683 CA ILE B 172 -16.690 44.756 -49.925 1.00 50.79 C ATOM 684 C ILE B 172 -15.863 44.507 -48.673 1.00 49.70 C ATOM 685 O ILE B 172 -15.388 43.396 -48.441 1.00 54.90 O ATOM 686 CB ILE B 172 -15.803 45.442 -50.982 1.00 48.41 C ATOM 687 CG1 ILE B 172 -16.568 45.615 -52.296 1.00 48.27 C ATOM 688 CG2 ILE B 172 -14.531 44.642 -51.214 1.00 40.98 C ATOM 689 CD1 ILE B 172 -17.100 44.324 -52.871 1.00 52.54 C ATOM 690 H ILE B 172 -17.973 46.499 -50.021 1.00 0.00 H ATOM 691 N GLN B 173 -15.709 45.548 -47.863 1.00 48.45 N ATOM 692 CA GLN B 173 -14.927 45.456 -46.640 1.00 49.86 C ATOM 693 C GLN B 173 -15.581 44.545 -45.605 1.00 48.23 C ATOM 694 O GLN B 173 -14.889 43.880 -44.835 1.00 50.82 O ATOM 695 CB GLN B 173 -14.689 46.846 -46.045 1.00 50.50 C ATOM 696 CG GLN B 173 -13.799 47.739 -46.891 1.00 50.80 C ATOM 697 CD GLN B 173 -13.552 49.087 -46.246 1.00 62.37 C ATOM 698 OE1 GLN B 173 -14.127 49.404 -45.203 1.00 60.94 O ATOM 699 NE2 GLN B 173 -12.690 49.888 -46.861 1.00 65.32 N ATOM 700 HE22 GLN B 173 -12.228 49.578 -47.740 1.00 0.00 H ATOM 701 HE21 GLN B 173 -12.477 50.825 -46.464 1.00 0.00 H ATOM 702 H GLN B 173 -16.159 46.453 -48.109 1.00 0.00 H ATOM 703 N LEU B 174 -16.911 44.513 -45.586 1.00 47.89 N ATOM 704 CA LEU B 174 -17.627 43.676 -44.625 1.00 50.87 C ATOM 705 C LEU B 174 -17.537 42.203 -45.002 1.00 50.29 C ATOM 706 O LEU B 174 -17.318 41.349 -44.144 1.00 48.87 O ATOM 707 CB LEU B 174 -19.093 44.100 -44.494 1.00 49.49 C ATOM 708 CG LEU B 174 -19.892 43.274 -43.477 1.00 50.76 C ATOM 709 CD1 LEU B 174 -19.191 43.259 -42.129 1.00 50.18 C ATOM 710 CD2 LEU B 174 -21.312 43.792 -43.328 1.00 53.11 C ATOM 711 H LEU B 174 -17.448 45.091 -46.264 1.00 0.00 H ATOM 712 N LYS B 175 -17.703 41.916 -46.290 1.00 52.35 N ATOM 713 CA LYS B 175 -17.576 40.557 -46.802 1.00 53.55 C ATOM 714 C LYS B 175 -16.176 40.037 -46.517 1.00 49.41 C ATOM 715 O LYS B 175 -15.956 38.832 -46.382 1.00 53.61 O ATOM 716 CB LYS B 175 -17.855 40.532 -48.305 1.00 57.94 C ATOM 717 CG LYS B 175 -17.868 39.143 -48.923 1.00 62.71 C ATOM 718 CD LYS B 175 -18.225 39.211 -50.398 1.00 66.80 C ATOM 719 CE LYS B 175 -19.581 39.871 -50.610 1.00 70.12 C ATOM 720 NZ LYS B 175 -19.907 40.027 -52.059 1.00 70.04 N ATOM 721 HZ1 LYS B 175 -19.183 40.618 -52.514 1.00 0.00 H ATOM 722 HZ2 LYS B 175 -19.927 39.091 -52.511 1.00 0.00 H ATOM 723 HZ3 LYS B 175 -20.838 40.480 -52.157 1.00 0.00 H ATOM 724 H LYS B 175 -17.930 42.685 -46.952 1.00 0.00 H ATOM 725 N ASP B 176 -15.234 40.967 -46.420 1.00 47.49 N ATOM 726 CA ASP B 176 -13.849 40.644 -46.127 1.00 45.32 C ATOM 727 C ASP B 176 -13.643 40.445 -44.628 1.00 44.14 C ATOM 728 O ASP B 176 -13.038 39.463 -44.204 1.00 45.50 O ATOM 729 CB ASP B 176 -12.942 41.757 -46.650 1.00 46.95 C ATOM 730 CG ASP B 176 -11.477 41.485 -46.395 1.00 56.87 C ATOM 731 OD1 ASP B 176 -10.929 40.553 -47.021 1.00 56.64 O ATOM 732 OD2 ASP B 176 -10.872 42.207 -45.573 1.00 61.92 O ATOM 733 H ASP B 176 -15.497 41.963 -46.559 1.00 0.00 H ATOM 734 N ALA B 177 -14.156 41.379 -43.832 1.00 47.74 N ATOM 735 CA ALA B 177 -14.049 41.299 -42.377 1.00 47.92 C ATOM 736 C ALA B 177 -14.764 40.071 -41.816 1.00 49.06 C ATOM 737 O ALA B 177 -14.419 39.584 -40.739 1.00 48.35 O ATOM 738 CB ALA B 177 -14.583 42.568 -41.731 1.00 42.89 C ATOM 739 H ALA B 177 -14.648 42.190 -44.258 1.00 0.00 H ATOM 740 N LEU B 178 -15.761 39.577 -42.547 1.00 48.61 N ATOM 741 CA LEU B 178 -16.512 38.401 -42.120 1.00 45.70 C ATOM 742 C LEU B 178 -15.848 37.113 -42.584 1.00 44.00 C ATOM 743 O LEU B 178 -15.903 36.095 -41.894 1.00 47.89 O ATOM 744 CB LEU B 178 -17.955 38.463 -42.624 1.00 46.93 C ATOM 745 CG LEU B 178 -18.826 39.537 -41.973 1.00 48.24 C ATOM 746 CD1 LEU B 178 -20.263 39.439 -42.460 1.00 50.12 C ATOM 747 CD2 LEU B 178 -18.754 39.432 -40.458 1.00 40.95 C ATOM 748 H LEU B 178 -16.011 40.040 -43.444 1.00 0.00 H ATOM 749 N GLU B 179 -15.223 37.155 -43.755 1.00 41.84 N ATOM 750 CA GLU B 179 -14.514 35.988 -44.253 1.00 40.90 C ATOM 751 C GLU B 179 -13.301 35.723 -43.376 1.00 43.05 C ATOM 752 O GLU B 179 -12.963 34.574 -43.101 1.00 45.37 O ATOM 753 CB GLU B 179 -14.075 36.179 -45.702 1.00 36.73 C ATOM 754 CG GLU B 179 -13.515 34.914 -46.324 1.00 42.08 C ATOM 755 CD GLU B 179 -12.857 35.162 -47.663 1.00 52.72 C ATOM 756 OE1 GLU B 179 -13.189 34.443 -48.630 1.00 54.36 O ATOM 757 OE2 GLU B 179 -12.003 36.070 -47.747 1.00 57.10 O ATOM 758 H GLU B 179 -15.241 38.028 -44.319 1.00 0.00 H ATOM 759 N LYS B 180 -12.655 36.794 -42.929 1.00 42.11 N ATOM 760 CA LYS B 180 -11.480 36.670 -42.079 1.00 40.33 C ATOM 761 C LYS B 180 -11.844 36.280 -40.653 1.00 38.68 C ATOM 762 O LYS B 180 -11.104 35.552 -39.991 1.00 35.75 O ATOM 763 CB LYS B 180 -10.673 37.963 -42.092 1.00 33.49 C ATOM 764 CG LYS B 180 -10.002 38.235 -43.413 1.00 35.31 C ATOM 765 CD LYS B 180 -8.892 39.245 -43.254 1.00 37.18 C ATOM 766 CE LYS B 180 -8.112 39.407 -44.542 1.00 37.01 C ATOM 767 NZ LYS B 180 -8.786 40.356 -45.459 1.00 47.49 N ATOM 768 HZ1 LYS B 180 -9.736 40.000 -45.688 1.00 0.00 H ATOM 769 HZ2 LYS B 180 -8.864 41.285 -44.998 1.00 0.00 H ATOM 770 HZ3 LYS B 180 -8.229 40.447 -46.333 1.00 0.00 H ATOM 771 H LYS B 180 -12.996 37.741 -43.192 1.00 0.00 H ATOM 772 N ASN B 181 -12.985 36.766 -40.183 1.00 35.91 N ATOM 773 CA ASN B 181 -13.467 36.404 -38.857 1.00 36.88 C ATOM 774 C ASN B 181 -13.750 34.909 -38.758 1.00 40.24 C ATOM 775 O ASN B 181 -13.533 34.297 -37.709 1.00 40.79 O ATOM 776 CB ASN B 181 -14.724 37.193 -38.506 1.00 33.55 C ATOM 777 CG ASN B 181 -15.129 37.017 -37.068 1.00 35.49 C ATOM 778 OD1 ASN B 181 -16.040 36.250 -36.755 1.00 39.96 O ATOM 779 ND2 ASN B 181 -14.437 37.712 -36.175 1.00 42.73 N ATOM 780 HD22 ASN B 181 -13.676 38.348 -36.487 1.00 0.00 H ATOM 781 HD21 ASN B 181 -14.656 37.621 -35.162 1.00 0.00 H ATOM 782 H ASN B 181 -13.545 37.416 -40.771 1.00 0.00 H ATOM 783 N GLN B 182 -14.236 34.335 -39.859 1.00 39.51 N ATOM 784 CA GLN B 182 -14.478 32.900 -39.955 1.00 43.13 C ATOM 785 C GLN B 182 -13.161 32.147 -39.964 1.00 38.36 C ATOM 786 O GLN B 182 -13.023 31.097 -39.339 1.00 38.88 O ATOM 787 CB GLN B 182 -15.256 32.564 -41.236 1.00 44.87 C ATOM 788 CG GLN B 182 -16.771 32.478 -41.101 1.00 47.15 C ATOM 789 CD GLN B 182 -17.437 31.782 -42.281 1.00 66.23 C ATOM 790 OE1 GLN B 182 -17.035 30.689 -42.679 1.00 71.06 O ATOM 791 NE2 GLN B 182 -18.456 32.422 -42.850 1.00 67.72 N ATOM 792 HE22 GLN B 182 -18.762 33.345 -42.480 1.00 0.00 H ATOM 793 HE21 GLN B 182 -18.946 32.000 -43.664 1.00 0.00 H ATOM 794 H GLN B 182 -14.451 34.934 -40.682 1.00 0.00 H ATOM 795 N GLN B 183 -12.198 32.686 -40.700 1.00 35.98 N ATOM 796 CA GLN B 183 -10.880 32.075 -40.791 1.00 38.02 C ATOM 797 C GLN B 183 -10.203 32.083 -39.425 1.00 36.70 C ATOM 798 O GLN B 183 -9.536 31.123 -39.055 1.00 34.34 O ATOM 799 CB GLN B 183 -10.020 32.799 -41.832 1.00 38.32 C ATOM 800 CG GLN B 183 -10.547 32.643 -43.257 1.00 37.08 C ATOM 801 CD GLN B 183 -9.911 33.612 -44.244 1.00 39.90 C ATOM 802 OE1 GLN B 183 -9.463 34.700 -43.873 1.00 43.86 O ATOM 803 NE2 GLN B 183 -9.879 33.222 -45.510 1.00 35.45 N ATOM 804 HE22 GLN B 183 -10.268 32.296 -45.779 1.00 0.00 H ATOM 805 HE21 GLN B 183 -9.465 33.842 -46.235 1.00 0.00 H ATOM 806 H GLN B 183 -12.389 33.564 -41.223 1.00 0.00 H ATOM 807 N TRP B 184 -10.393 33.168 -38.678 1.00 31.20 N ATOM 808 CA TRP B 184 -9.889 33.264 -37.314 1.00 31.47 C ATOM 809 C TRP B 184 -10.504 32.185 -36.427 1.00 37.56 C ATOM 810 O TRP B 184 -9.821 31.604 -35.583 1.00 36.19 O ATOM 811 CB TRP B 184 -10.191 34.638 -36.719 1.00 31.23 C ATOM 812 CG TRP B 184 -9.165 35.700 -37.014 1.00 33.69 C ATOM 813 CD1 TRP B 184 -9.332 36.805 -37.798 1.00 31.97 C ATOM 814 CD2 TRP B 184 -7.823 35.768 -36.510 1.00 29.22 C ATOM 815 NE1 TRP B 184 -8.180 37.553 -37.816 1.00 31.68 N ATOM 816 CE2 TRP B 184 -7.238 36.938 -37.034 1.00 24.56 C ATOM 817 CE3 TRP B 184 -7.059 34.952 -35.670 1.00 25.51 C ATOM 818 CZ2 TRP B 184 -5.929 37.313 -36.744 1.00 20.72 C ATOM 819 CZ3 TRP B 184 -5.757 35.326 -35.384 1.00 20.93 C ATOM 820 CH2 TRP B 184 -5.206 36.495 -35.920 1.00 21.04 C ATOM 821 HE1 TRP B 184 -8.045 38.442 -38.339 1.00 0.00 H ATOM 822 H TRP B 184 -10.917 33.972 -39.080 1.00 0.00 H ATOM 823 N LEU B 185 -11.795 31.926 -36.617 1.00 36.61 N ATOM 824 CA LEU B 185 -12.502 30.919 -35.828 1.00 32.59 C ATOM 825 C LEU B 185 -11.958 29.515 -36.061 1.00 32.23 C ATOM 826 O LEU B 185 -11.595 28.816 -35.116 1.00 39.52 O ATOM 827 CB LEU B 185 -13.998 30.947 -36.139 1.00 36.65 C ATOM 828 CG LEU B 185 -14.901 31.690 -35.155 1.00 42.95 C ATOM 829 CD1 LEU B 185 -14.365 33.079 -34.877 1.00 40.73 C ATOM 830 CD2 LEU B 185 -16.317 31.762 -35.701 1.00 47.94 C ATOM 831 H LEU B 185 -12.315 32.454 -37.346 1.00 0.00 H ATOM 832 N VAL B 186 -11.910 29.109 -37.324 1.00 31.61 N ATOM 833 CA VAL B 186 -11.450 27.776 -37.689 1.00 29.21 C ATOM 834 C VAL B 186 -9.987 27.585 -37.316 1.00 28.20 C ATOM 835 O VAL B 186 -9.587 26.520 -36.853 1.00 29.30 O ATOM 836 CB VAL B 186 -11.624 27.524 -39.193 1.00 31.54 C ATOM 837 CG1 VAL B 186 -11.245 26.099 -39.534 1.00 34.17 C ATOM 838 CG2 VAL B 186 -13.058 27.808 -39.610 1.00 34.79 C ATOM 839 H VAL B 186 -12.210 29.762 -38.076 1.00 0.00 H ATOM 840 N TYR B 187 -9.195 28.630 -37.527 1.00 34.60 N ATOM 841 CA TYR B 187 -7.786 28.631 -37.152 1.00 27.95 C ATOM 842 C TYR B 187 -7.648 28.460 -35.646 1.00 25.42 C ATOM 843 O TYR B 187 -6.797 27.706 -35.178 1.00 23.14 O ATOM 844 CB TYR B 187 -7.132 29.934 -37.618 1.00 20.80 C ATOM 845 CG TYR B 187 -5.800 30.283 -36.991 1.00 20.06 C ATOM 846 CD1 TYR B 187 -4.624 29.693 -37.432 1.00 18.18 C ATOM 847 CD2 TYR B 187 -5.715 31.242 -35.988 1.00 20.05 C ATOM 848 CE1 TYR B 187 -3.404 30.029 -36.873 1.00 18.17 C ATOM 849 CE2 TYR B 187 -4.503 31.583 -35.426 1.00 15.35 C ATOM 850 CZ TYR B 187 -3.350 30.976 -35.870 1.00 17.52 C ATOM 851 OH TYR B 187 -2.141 31.320 -35.306 1.00 18.86 O ATOM 852 HH TYR B 187 -1.418 30.797 -35.734 1.00 0.00 H ATOM 853 H TYR B 187 -9.594 29.479 -37.976 1.00 0.00 H ATOM 854 N ASP B 188 -8.504 29.148 -34.895 1.00 26.30 N ATOM 855 CA ASP B 188 -8.460 29.098 -33.439 1.00 29.30 C ATOM 856 C ASP B 188 -8.676 27.686 -32.919 1.00 31.73 C ATOM 857 O ASP B 188 -7.959 27.225 -32.030 1.00 29.71 O ATOM 858 CB ASP B 188 -9.506 30.030 -32.830 1.00 28.83 C ATOM 859 CG ASP B 188 -9.533 29.962 -31.316 1.00 32.09 C ATOM 860 OD1 ASP B 188 -8.666 30.595 -30.677 1.00 33.49 O ATOM 861 OD2 ASP B 188 -10.419 29.276 -30.764 1.00 39.34 O ATOM 862 H ASP B 188 -9.224 29.737 -35.359 1.00 0.00 H ATOM 863 N GLN B 189 -9.665 27.002 -33.482 1.00 28.95 N ATOM 864 CA GLN B 189 -9.994 25.656 -33.043 1.00 27.20 C ATOM 865 C GLN B 189 -8.860 24.687 -33.331 1.00 24.07 C ATOM 866 O GLN B 189 -8.623 23.753 -32.569 1.00 28.46 O ATOM 867 CB GLN B 189 -11.293 25.180 -33.689 1.00 34.72 C ATOM 868 CG GLN B 189 -12.514 25.959 -33.224 1.00 49.08 C ATOM 869 CD GLN B 189 -13.817 25.314 -33.649 1.00 64.59 C ATOM 870 OE1 GLN B 189 -13.826 24.230 -34.236 1.00 69.58 O ATOM 871 NE2 GLN B 189 -14.930 25.979 -33.352 1.00 60.27 N ATOM 872 HE22 GLN B 189 -14.874 26.891 -32.855 1.00 0.00 H ATOM 873 HE21 GLN B 189 -15.856 25.587 -33.616 1.00 0.00 H ATOM 874 H GLN B 189 -10.214 27.437 -34.251 1.00 0.00 H ATOM 875 N GLN B 190 -8.152 24.919 -34.429 1.00 25.83 N ATOM 876 CA GLN B 190 -7.022 24.077 -34.784 1.00 24.06 C ATOM 877 C GLN B 190 -5.865 24.293 -33.815 1.00 26.73 C ATOM 878 O GLN B 190 -5.175 23.345 -33.436 1.00 26.35 O ATOM 879 CB GLN B 190 -6.558 24.376 -36.204 1.00 20.07 C ATOM 880 CG GLN B 190 -5.474 23.445 -36.688 1.00 23.87 C ATOM 881 CD GLN B 190 -4.765 23.975 -37.912 1.00 30.78 C ATOM 882 OE1 GLN B 190 -3.888 24.829 -37.808 1.00 33.52 O ATOM 883 NE2 GLN B 190 -5.142 23.473 -39.082 1.00 32.50 N ATOM 884 HE22 GLN B 190 -5.889 22.751 -39.121 1.00 0.00 H ATOM 885 HE21 GLN B 190 -4.690 23.802 -39.959 1.00 0.00 H ATOM 886 H GLN B 190 -8.410 25.716 -35.045 1.00 0.00 H ATOM 887 N ARG B 191 -5.656 25.545 -33.423 1.00 23.10 N ATOM 888 CA ARG B 191 -4.566 25.886 -32.521 1.00 22.00 C ATOM 889 C ARG B 191 -4.840 25.335 -31.128 1.00 25.41 C ATOM 890 O ARG B 191 -3.924 24.898 -30.434 1.00 25.50 O ATOM 891 CB ARG B 191 -4.346 27.403 -32.471 1.00 24.24 C ATOM 892 CG ARG B 191 -3.937 28.029 -33.808 1.00 22.45 C ATOM 893 CD ARG B 191 -2.640 27.439 -34.347 1.00 18.73 C ATOM 894 NE ARG B 191 -1.467 27.918 -33.620 1.00 18.56 N ATOM 895 CZ ARG B 191 -0.272 27.336 -33.661 1.00 22.34 C ATOM 896 NH1 ARG B 191 -0.087 26.242 -34.389 1.00 24.18 N ATOM 897 NH2 ARG B 191 0.738 27.843 -32.967 1.00 17.24 N ATOM 898 HE ARG B 191 -1.573 28.769 -33.032 1.00 0.00 H ATOM 899 HH12 ARG B 191 0.849 25.789 -34.419 1.00 0.00 H ATOM 900 HH11 ARG B 191 -0.878 25.837 -34.930 1.00 0.00 H ATOM 901 HH22 ARG B 191 1.672 27.387 -33.000 1.00 0.00 H ATOM 902 HH21 ARG B 191 0.596 28.697 -32.390 1.00 0.00 H ATOM 903 H ARG B 191 -6.285 26.298 -33.768 1.00 0.00 H ATOM 904 N GLU B 192 -6.107 25.348 -30.727 1.00 27.65 N ATOM 905 CA GLU B 192 -6.499 24.806 -29.430 1.00 21.76 C ATOM 906 C GLU B 192 -6.288 23.298 -29.371 1.00 21.83 C ATOM 907 O GLU B 192 -5.853 22.762 -28.351 1.00 24.70 O ATOM 908 CB GLU B 192 -7.949 25.162 -29.114 1.00 19.80 C ATOM 909 CG GLU B 192 -8.118 26.586 -28.620 1.00 26.55 C ATOM 910 CD GLU B 192 -7.372 26.835 -27.324 1.00 26.31 C ATOM 911 OE1 GLU B 192 -6.561 27.783 -27.274 1.00 24.23 O ATOM 912 OE2 GLU B 192 -7.598 26.080 -26.353 1.00 29.15 O ATOM 913 H GLU B 192 -6.834 25.753 -31.351 1.00 0.00 H ATOM 914 N VAL B 193 -6.597 22.619 -30.469 1.00 21.48 N ATOM 915 CA VAL B 193 -6.319 21.195 -30.594 1.00 25.27 C ATOM 916 C VAL B 193 -4.812 20.966 -30.506 1.00 24.32 C ATOM 917 O VAL B 193 -4.344 20.004 -29.894 1.00 22.94 O ATOM 918 CB VAL B 193 -6.877 20.631 -31.924 1.00 17.14 C ATOM 919 CG1 VAL B 193 -6.286 19.263 -32.231 1.00 17.07 C ATOM 920 CG2 VAL B 193 -8.397 20.566 -31.872 1.00 13.45 C ATOM 921 H VAL B 193 -7.050 23.118 -31.261 1.00 0.00 H ATOM 922 N TYR B 194 -4.058 21.880 -31.104 1.00 23.32 N ATOM 923 CA TYR B 194 -2.605 21.800 -31.106 1.00 21.82 C ATOM 924 C TYR B 194 -2.024 21.956 -29.702 1.00 21.00 C ATOM 925 O TYR B 194 -1.140 21.201 -29.305 1.00 22.22 O ATOM 926 CB TYR B 194 -2.024 22.855 -32.052 1.00 20.24 C ATOM 927 CG TYR B 194 -0.516 22.902 -32.070 1.00 22.95 C ATOM 928 CD1 TYR B 194 0.221 21.851 -32.595 1.00 28.20 C ATOM 929 CD2 TYR B 194 0.171 24.001 -31.568 1.00 20.06 C ATOM 930 CE1 TYR B 194 1.600 21.889 -32.616 1.00 30.09 C ATOM 931 CE2 TYR B 194 1.550 24.048 -31.585 1.00 18.47 C ATOM 932 CZ TYR B 194 2.259 22.988 -32.112 1.00 21.55 C ATOM 933 OH TYR B 194 3.634 23.022 -32.138 1.00 25.63 O ATOM 934 HH TYR B 194 3.976 22.187 -32.546 1.00 0.00 H ATOM 935 H TYR B 194 -4.520 22.678 -31.586 1.00 0.00 H ATOM 936 N VAL B 195 -2.525 22.934 -28.954 1.00 21.12 N ATOM 937 CA VAL B 195 -2.052 23.177 -27.593 1.00 21.33 C ATOM 938 C VAL B 195 -2.289 21.962 -26.694 1.00 24.50 C ATOM 939 O VAL B 195 -1.430 21.598 -25.887 1.00 23.91 O ATOM 940 CB VAL B 195 -2.709 24.429 -26.976 1.00 20.13 C ATOM 941 CG1 VAL B 195 -2.340 24.560 -25.506 1.00 21.02 C ATOM 942 CG2 VAL B 195 -2.294 25.674 -27.739 1.00 16.34 C ATOM 943 H VAL B 195 -3.272 23.541 -29.347 1.00 0.00 H ATOM 944 N LYS B 196 -3.450 21.331 -26.846 1.00 22.04 N ATOM 945 CA LYS B 196 -3.751 20.104 -26.114 1.00 23.43 C ATOM 946 C LYS B 196 -2.766 18.990 -26.461 1.00 26.82 C ATOM 947 O LYS B 196 -2.377 18.201 -25.599 1.00 32.74 O ATOM 948 CB LYS B 196 -5.184 19.645 -26.383 1.00 19.26 C ATOM 949 CG LYS B 196 -6.235 20.478 -25.677 1.00 20.68 C ATOM 950 CD LYS B 196 -7.614 19.855 -25.810 1.00 25.73 C ATOM 951 CE LYS B 196 -8.673 20.704 -25.117 1.00 35.34 C ATOM 952 NZ LYS B 196 -8.790 22.068 -25.711 1.00 32.45 N ATOM 953 HZ1 LYS B 196 -7.878 22.561 -25.627 1.00 0.00 H ATOM 954 HZ2 LYS B 196 -9.050 21.987 -26.715 1.00 0.00 H ATOM 955 HZ3 LYS B 196 -9.523 22.604 -25.204 1.00 0.00 H ATOM 956 H LYS B 196 -4.159 21.720 -27.500 1.00 0.00 H ATOM 957 N GLY B 197 -2.367 18.931 -27.727 1.00 24.07 N ATOM 958 CA GLY B 197 -1.388 17.958 -28.166 1.00 25.73 C ATOM 959 C GLY B 197 -0.047 18.170 -27.490 1.00 28.81 C ATOM 960 O GLY B 197 0.610 17.211 -27.084 1.00 32.50 O ATOM 961 H GLY B 197 -2.766 19.598 -28.418 1.00 0.00 H ATOM 962 N LEU B 198 0.362 19.429 -27.369 1.00 25.09 N ATOM 963 CA LEU B 198 1.632 19.754 -26.736 1.00 24.99 C ATOM 964 C LEU B 198 1.614 19.348 -25.269 1.00 30.83 C ATOM 965 O LEU B 198 2.571 18.762 -24.766 1.00 33.78 O ATOM 966 CB LEU B 198 1.938 21.244 -26.868 1.00 22.26 C ATOM 967 CG LEU B 198 2.202 21.736 -28.289 1.00 21.55 C ATOM 968 CD1 LEU B 198 2.652 23.185 -28.272 1.00 20.32 C ATOM 969 CD2 LEU B 198 3.237 20.857 -28.973 1.00 25.31 C ATOM 970 H LEU B 198 -0.237 20.197 -27.734 1.00 0.00 H ATOM 971 N LEU B 199 0.513 19.659 -24.593 1.00 26.98 N ATOM 972 CA LEU B 199 0.337 19.284 -23.200 1.00 24.28 C ATOM 973 C LEU B 199 0.308 17.769 -23.043 1.00 28.19 C ATOM 974 O LEU B 199 0.861 17.225 -22.086 1.00 33.97 O ATOM 975 CB LEU B 199 -0.954 19.889 -22.645 1.00 24.95 C ATOM 976 CG LEU B 199 -0.976 21.408 -22.482 1.00 21.58 C ATOM 977 CD1 LEU B 199 -2.343 21.872 -22.027 1.00 14.06 C ATOM 978 CD2 LEU B 199 0.098 21.847 -21.503 1.00 19.96 C ATOM 979 H LEU B 199 -0.244 20.185 -25.074 1.00 0.00 H ATOM 980 N ALA B 200 -0.340 17.094 -23.988 1.00 25.75 N ATOM 981 CA ALA B 200 -0.446 15.640 -23.958 1.00 27.06 C ATOM 982 C ALA B 200 0.924 14.999 -24.125 1.00 29.55 C ATOM 983 O ALA B 200 1.193 13.925 -23.589 1.00 30.85 O ATOM 984 CB ALA B 200 -1.395 15.156 -25.038 1.00 22.09 C ATOM 985 H ALA B 200 -0.783 17.617 -24.770 1.00 0.00 H ATOM 986 N LYS B 201 1.789 15.676 -24.871 1.00 29.99 N ATOM 987 CA LYS B 201 3.146 15.209 -25.099 1.00 31.27 C ATOM 988 C LYS B 201 4.031 15.501 -23.891 1.00 34.54 C ATOM 989 O LYS B 201 4.894 14.700 -23.535 1.00 37.05 O ATOM 990 CB LYS B 201 3.714 15.873 -26.348 1.00 31.91 C ATOM 991 CG LYS B 201 5.112 15.434 -26.722 1.00 32.52 C ATOM 992 CD LYS B 201 5.567 16.182 -27.958 1.00 44.65 C ATOM 993 CE LYS B 201 7.012 15.888 -28.298 1.00 46.86 C ATOM 994 NZ LYS B 201 7.483 16.770 -29.400 1.00 47.36 N ATOM 995 HZ1 LYS B 201 6.899 16.609 -30.245 1.00 0.00 H ATOM 996 HZ2 LYS B 201 7.402 17.764 -29.105 1.00 0.00 H ATOM 997 HZ3 LYS B 201 8.476 16.551 -29.617 1.00 0.00 H ATOM 998 H LYS B 201 1.485 16.570 -25.307 1.00 0.00 H ATOM 999 N ILE B 202 3.813 16.655 -23.266 1.00 33.31 N ATOM 1000 CA ILE B 202 4.491 16.995 -22.018 1.00 33.23 C ATOM 1001 C ILE B 202 4.150 15.961 -20.948 1.00 37.38 C ATOM 1002 O ILE B 202 5.013 15.536 -20.181 1.00 39.15 O ATOM 1003 CB ILE B 202 4.105 18.413 -21.534 1.00 30.85 C ATOM 1004 CG1 ILE B 202 4.660 19.466 -22.493 1.00 30.20 C ATOM 1005 CG2 ILE B 202 4.630 18.676 -20.132 1.00 26.76 C ATOM 1006 CD1 ILE B 202 4.286 20.881 -22.135 1.00 27.93 C ATOM 1007 H ILE B 202 3.141 17.334 -23.678 1.00 0.00 H ATOM 1008 N PHE B 203 2.886 15.548 -20.924 1.00 39.84 N ATOM 1009 CA PHE B 203 2.403 14.538 -19.987 1.00 40.85 C ATOM 1010 C PHE B 203 3.148 13.214 -20.151 1.00 43.96 C ATOM 1011 O PHE B 203 3.556 12.595 -19.169 1.00 46.58 O ATOM 1012 CB PHE B 203 0.901 14.318 -20.188 1.00 38.48 C ATOM 1013 CG PHE B 203 0.278 13.402 -19.174 1.00 41.68 C ATOM 1014 CD1 PHE B 203 -0.179 13.900 -17.965 1.00 46.65 C ATOM 1015 CD2 PHE B 203 0.139 12.048 -19.432 1.00 45.98 C ATOM 1016 CE1 PHE B 203 -0.757 13.064 -17.030 1.00 46.31 C ATOM 1017 CE2 PHE B 203 -0.437 11.205 -18.499 1.00 43.83 C ATOM 1018 CZ PHE B 203 -0.886 11.714 -17.298 1.00 42.64 C ATOM 1019 H PHE B 203 2.214 15.962 -21.601 1.00 0.00 H ATOM 1020 N GLU B 204 3.319 12.788 -21.399 1.00 44.76 N ATOM 1021 CA GLU B 204 3.978 11.523 -21.698 1.00 42.00 C ATOM 1022 C GLU B 204 5.474 11.578 -21.404 1.00 43.73 C ATOM 1023 O GLU B 204 6.066 10.587 -20.981 1.00 50.94 O ATOM 1024 CB GLU B 204 3.739 11.133 -23.158 1.00 40.55 C ATOM 1025 CG GLU B 204 2.289 10.799 -23.483 1.00 52.21 C ATOM 1026 CD GLU B 204 1.948 9.341 -23.229 1.00 65.92 C ATOM 1027 OE1 GLU B 204 2.784 8.469 -23.552 1.00 71.41 O ATOM 1028 OE2 GLU B 204 0.846 9.067 -22.708 1.00 63.73 O ATOM 1029 H GLU B 204 2.972 13.375 -22.185 1.00 0.00 H ATOM 1030 N LEU B 205 6.081 12.739 -21.628 1.00 41.11 N ATOM 1031 CA LEU B 205 7.507 12.916 -21.376 1.00 42.03 C ATOM 1032 C LEU B 205 7.818 12.966 -19.882 1.00 49.94 C ATOM 1033 O LEU B 205 8.897 12.560 -19.448 1.00 54.64 O ATOM 1034 CB LEU B 205 8.023 14.182 -22.064 1.00 38.04 C ATOM 1035 CG LEU B 205 8.205 14.106 -23.582 1.00 41.32 C ATOM 1036 CD1 LEU B 205 8.556 15.470 -24.155 1.00 38.11 C ATOM 1037 CD2 LEU B 205 9.276 13.087 -23.938 1.00 39.66 C ATOM 1038 H LEU B 205 5.526 13.540 -21.991 1.00 0.00 H ATOM 1039 N GLU B 206 6.867 13.459 -19.098 1.00 48.88 N ATOM 1040 CA GLU B 206 7.073 13.603 -17.662 1.00 46.06 C ATOM 1041 C GLU B 206 6.950 12.282 -16.916 1.00 52.50 C ATOM 1042 O GLU B 206 7.457 12.144 -15.802 1.00 64.68 O ATOM 1043 CB GLU B 206 6.108 14.632 -17.078 1.00 44.36 C ATOM 1044 CG GLU B 206 6.478 16.064 -17.407 1.00 42.07 C ATOM 1045 CD GLU B 206 5.546 17.064 -16.762 1.00 44.35 C ATOM 1046 OE1 GLU B 206 4.462 16.651 -16.298 1.00 51.11 O ATOM 1047 OE2 GLU B 206 5.901 18.261 -16.716 1.00 37.15 O ATOM 1048 H GLU B 206 5.959 13.748 -19.515 1.00 0.00 H ATOM 1049 N LYS B 207 6.283 11.309 -17.531 1.00 49.17 N ATOM 1050 CA LYS B 207 6.140 9.987 -16.924 1.00 53.39 C ATOM 1051 C LYS B 207 7.461 9.209 -16.967 1.00 60.43 C ATOM 1052 O LYS B 207 7.583 8.144 -16.361 1.00 70.23 O ATOM 1053 CB LYS B 207 5.029 9.190 -17.610 1.00 45.72 C ATOM 1054 CG LYS B 207 3.649 9.827 -17.507 1.00 48.47 C ATOM 1055 CD LYS B 207 2.770 9.402 -18.676 1.00 57.68 C ATOM 1056 CE LYS B 207 2.503 7.905 -18.673 1.00 54.27 C ATOM 1057 NZ LYS B 207 1.414 7.547 -17.726 1.00 66.03 N ATOM 1058 HZ1 LYS B 207 1.684 7.836 -16.764 1.00 0.00 H ATOM 1059 HZ2 LYS B 207 0.540 8.037 -18.004 1.00 0.00 H ATOM 1060 HZ3 LYS B 207 1.259 6.519 -17.750 1.00 0.00 H ATOM 1061 H LYS B 207 5.855 11.492 -18.461 1.00 0.00 H ATOM 1062 N LYS B 208 8.446 9.756 -17.677 1.00 56.20 N ATOM 1063 CA LYS B 208 9.784 9.179 -17.736 1.00 51.16 C ATOM 1064 C LYS B 208 10.730 9.868 -16.748 1.00 55.48 C ATOM 1065 O LYS B 208 10.965 11.074 -16.823 1.00 57.29 O ATOM 1066 CB LYS B 208 10.337 9.264 -19.161 1.00 49.96 C ATOM 1067 CG LYS B 208 9.375 8.768 -20.238 1.00 55.35 C ATOM 1068 CD LYS B 208 9.940 8.919 -21.657 1.00 54.27 C ATOM 1069 CE LYS B 208 8.968 8.385 -22.716 1.00 56.52 C ATOM 1070 NZ LYS B 208 9.538 8.334 -24.096 1.00 53.48 N ATOM 1071 HZ1 LYS B 208 9.817 9.292 -24.390 1.00 0.00 H ATOM 1072 HZ2 LYS B 208 10.371 7.712 -24.103 1.00 0.00 H ATOM 1073 HZ3 LYS B 208 8.822 7.963 -24.752 1.00 0.00 H ATOM 1074 H LYS B 208 8.254 10.628 -18.210 1.00 0.00 H TER 1075 LYS B 208 HETATM 1076 O HOH 1 0.747 31.035 -34.991 1.00 21.11 O HETATM 1077 O HOH 2 -3.776 25.838 -20.618 1.00 22.62 O HETATM 1078 O HOH 3 2.631 22.448 -19.159 1.00 26.41 O HETATM 1079 O HOH 4 -5.761 25.328 -23.074 1.00 26.10 O HETATM 1080 O HOH 5 -17.546 56.206 -39.402 1.00 64.89 O HETATM 1081 O HOH 6 3.680 36.469 -29.459 1.00 22.87 O HETATM 1082 O HOH 7 17.248 11.792 -25.819 1.00 57.10 O HETATM 1083 O HOH 8 -4.747 44.534 -31.882 1.00 37.40 O HETATM 1084 O HOH 9 4.522 20.281 -15.959 1.00 27.61 O HETATM 1085 O HOH 10 3.530 28.322 -33.173 1.00 22.61 O HETATM 1086 O HOH 11 -7.901 27.717 -24.072 1.00 26.39 O HETATM 1087 O HOH 12 -7.222 34.682 -44.820 1.00 32.09 O HETATM 1088 O HOH 13 -12.354 27.071 -29.821 1.00 37.10 O HETATM 1089 O HOH 14 -9.775 49.068 -46.949 1.00 42.77 O HETATM 1090 O HOH 15 9.531 9.892 -14.528 1.00 49.74 O HETATM 1091 O HOH 16 -10.647 23.136 -30.887 1.00 30.68 O HETATM 1092 O HOH 17 -9.965 40.220 -21.469 1.00 38.76 O HETATM 1093 O HOH 18 -8.538 30.131 -23.728 1.00 26.27 O HETATM 1094 O HOH 19 -14.103 39.269 -26.321 1.00 45.14 O HETATM 1095 O HOH 20 -3.748 34.742 -18.295 1.00 33.50 O HETATM 1096 O HOH 21 -11.492 24.934 -12.749 1.00 32.81 O HETATM 1097 N ASP A 22 -26.378 41.705 -35.058 1.00 0.24 N HETATM 1098 CA ASP A 22 -25.041 41.935 -34.520 1.00 0.08 C HETATM 1099 C ASP A 22 -24.292 40.616 -34.354 1.00 0.23 C HETATM 1100 O ASP A 22 -24.115 40.132 -33.235 1.00 -0.39 O HETATM 1101 N ASP A 22 -23.825 40.058 -35.465 1.00 -0.26 N HETATM 1102 CA ASP A 22 -23.341 38.685 -35.476 1.00 0.13 C HETATM 1103 C ASP A 22 -22.012 38.520 -36.202 1.00 0.20 C HETATM 1104 O ASP A 22 -21.956 38.460 -37.432 1.00 -0.39 O HETATM 1105 N ASP A 22 -20.947 38.456 -35.413 1.00 -0.26 N HETATM 1106 CA ASP A 22 -19.611 38.132 -35.887 1.00 0.13 C HETATM 1107 C ASP A 22 -18.862 37.826 -34.602 1.00 0.20 C HETATM 1108 O ASP A 22 -19.141 38.426 -33.565 1.00 -0.39 O HETATM 1109 N ASP A 22 -17.925 36.888 -34.654 1.00 -0.26 N HETATM 1110 CA ASP A 22 -17.369 36.321 -33.430 1.00 0.13 C HETATM 1111 C ASP A 22 -16.011 36.908 -33.045 1.00 0.20 C HETATM 1112 O ASP A 22 -15.196 37.222 -33.911 1.00 -0.39 O HETATM 1113 N ASP A 22 -15.780 37.048 -31.739 1.00 -0.27 N HETATM 1114 CA ASP A 22 -14.494 37.479 -31.215 1.00 0.12 C HETATM 1115 C ASP A 22 -13.891 36.411 -30.320 1.00 0.20 C HETATM 1116 O ASP A 22 -14.508 35.370 -30.095 1.00 -0.39 O HETATM 1117 N ASP A 22 -12.679 36.658 -29.804 1.00 -0.25 N HETATM 1118 CA ASP A 22 -11.975 35.708 -28.934 1.00 0.13 C HETATM 1119 C ASP A 22 -12.599 35.651 -27.539 1.00 0.21 C HETATM 1120 O ASP A 22 -13.271 36.603 -27.138 1.00 -0.39 O HETATM 1121 N ASP A 22 -12.389 34.540 -26.811 1.00 -0.25 N HETATM 1122 CA ASP A 22 -12.913 34.378 -25.449 1.00 0.13 C HETATM 1123 C ASP A 22 -12.377 35.429 -24.479 1.00 0.20 C HETATM 1124 O ASP A 22 -13.096 35.839 -23.569 1.00 -0.39 O HETATM 1125 N ASP A 22 -11.134 35.858 -24.672 1.00 -0.26 N HETATM 1126 CA ASP A 22 -10.575 36.951 -23.882 1.00 0.15 C HETATM 1127 C ASP A 22 -9.406 37.601 -24.607 1.00 0.21 C HETATM 1128 O ASP A 22 -9.133 37.299 -25.769 1.00 -0.39 O HETATM 1129 N ASP A 22 -8.718 38.498 -23.914 1.00 -0.26 N HETATM 1130 CA ASP A 22 -7.547 39.153 -24.474 1.00 0.13 C HETATM 1131 C ASP A 22 -6.285 38.588 -23.834 1.00 0.20 C HETATM 1132 O ASP A 22 -5.169 38.864 -24.276 1.00 -0.39 O HETATM 1133 N ASP A 22 -6.479 37.791 -22.789 1.00 -0.26 N HETATM 1134 CA ASP A 22 -5.385 37.093 -22.129 1.00 0.15 C HETATM 1135 C ASP A 22 -5.483 35.600 -22.399 1.00 0.21 C HETATM 1136 O ASP A 22 -6.544 35.101 -22.774 1.00 -0.39 O HETATM 1137 N ASP A 22 -4.381 34.884 -22.206 1.00 -0.26 N HETATM 1138 CA ASP A 22 -4.384 33.443 -22.416 1.00 0.14 C HETATM 1139 C ASP A 22 -4.016 32.683 -21.135 1.00 0.21 C HETATM 1140 O ASP A 22 -3.040 33.024 -20.464 1.00 -0.39 O HETATM 1141 N ASP A 22 -4.794 31.644 -20.798 1.00 -0.25 N HETATM 1142 CA ASP A 22 -5.960 31.199 -21.565 1.00 0.13 C HETATM 1143 C ASP A 22 -7.261 31.858 -21.123 1.00 0.20 C HETATM 1144 O ASP A 22 -8.161 31.992 -21.950 1.00 -0.39 O HETATM 1145 N ASP A 22 -7.366 32.249 -19.853 1.00 -0.27 N HETATM 1146 CA ASP A 22 -8.641 32.671 -19.293 1.00 0.12 C HETATM 1147 C ASP A 22 -9.477 31.465 -18.888 1.00 0.20 C HETATM 1148 O ASP A 22 -10.486 31.601 -18.193 1.00 -0.39 O HETATM 1149 N ASP A 22 -9.024 30.289 -19.332 1.00 -0.27 N HETATM 1150 CA ASP A 22 -9.659 28.982 -19.108 1.00 0.10 C HETATM 1151 C ASP A 22 -11.184 28.999 -18.967 1.00 0.06 C HETATM 1152 O ASP A 22 -11.904 29.178 -19.950 1.00 -0.57 O HETATM 1153 OXT ASP A 22 -11.715 28.834 -17.868 1.00 -0.57 O HETATM 1154 CB ASP A 22 -8.998 28.241 -17.933 1.00 0.01 C HETATM 1155 CG ASP A 22 -9.813 28.211 -16.660 1.00 -0.05 C HETATM 1156 CD1 ASP A 22 -10.632 27.125 -16.360 1.00 -0.07 C HETATM 1157 CE1 ASP A 22 -11.379 27.092 -15.196 1.00 -0.04 C HETATM 1158 CZ ASP A 22 -11.308 28.149 -14.310 1.00 0.08 C HETATM 1159 CE2 ASP A 22 -10.501 29.236 -14.583 1.00 -0.04 C HETATM 1160 CD2 ASP A 22 -9.758 29.261 -15.752 1.00 -0.07 C HETATM 1161 H95 ASP A 22 -9.123 30.114 -15.962 1.00 0.05 H HETATM 1162 H97 ASP A 22 -10.449 30.065 -13.886 1.00 0.05 H HETATM 1163 OH ASP A 22 -12.047 28.122 -13.150 1.00 -0.34 O HETATM 1164 H98 ASP A 22 -12.545 27.314 -13.112 1.00 0.25 H HETATM 1165 H96 ASP A 22 -12.016 26.242 -14.981 1.00 0.05 H HETATM 1166 H94 ASP A 22 -10.685 26.291 -17.051 1.00 0.05 H HETATM 1167 H92 ASP A 22 -8.040 28.734 -17.714 1.00 0.04 H HETATM 1168 H93 ASP A 22 -8.813 27.203 -18.245 1.00 0.04 H HETATM 1169 H91 ASP A 22 -9.450 28.390 -20.011 1.00 0.07 H HETATM 1170 H90 ASP A 22 -8.177 30.299 -19.864 1.00 0.19 H HETATM 1171 H88 ASP A 22 -9.191 33.255 -20.046 1.00 0.08 H HETATM 1172 H89 ASP A 22 -8.457 33.297 -18.407 1.00 0.08 H HETATM 1173 H87 ASP A 22 -6.551 32.252 -19.273 1.00 0.19 H HETATM 1174 CB ASP A 22 -6.012 29.705 -21.264 1.00 -0.01 C HETATM 1175 CG ASP A 22 -5.462 29.589 -19.879 1.00 -0.03 C HETATM 1176 CD ASP A 22 -4.446 30.700 -19.720 1.00 0.04 C HETATM 1177 H85 ASP A 22 -4.538 31.178 -18.734 1.00 0.05 H HETATM 1178 H86 ASP A 22 -3.423 30.318 -19.848 1.00 0.05 H HETATM 1179 H83 ASP A 22 -4.978 28.610 -19.744 1.00 0.03 H HETATM 1180 H84 ASP A 22 -6.269 29.704 -19.140 1.00 0.03 H HETATM 1181 H81 ASP A 22 -5.393 29.142 -21.978 1.00 0.03 H HETATM 1182 H82 ASP A 22 -7.047 29.335 -21.305 1.00 0.03 H HETATM 1183 H80 ASP A 22 -5.808 31.384 -22.639 1.00 0.08 H HETATM 1184 CB ASP A 22 -3.457 33.062 -23.572 1.00 0.02 C HETATM 1185 CG ASP A 22 -3.725 31.678 -24.106 1.00 -0.05 C HETATM 1186 CD1 ASP A 22 -2.954 30.598 -23.705 1.00 -0.07 C HETATM 1187 CE1 ASP A 22 -3.199 29.331 -24.185 1.00 -0.04 C HETATM 1188 CZ ASP A 22 -4.229 29.130 -25.076 1.00 0.08 C HETATM 1189 CE2 ASP A 22 -5.014 30.187 -25.489 1.00 -0.04 C HETATM 1190 CD2 ASP A 22 -4.761 31.449 -25.002 1.00 -0.07 C HETATM 1191 H76 ASP A 22 -5.381 32.278 -25.323 1.00 0.05 H HETATM 1192 H78 ASP A 22 -5.824 30.025 -26.191 1.00 0.05 H HETATM 1193 OH ASP A 22 -4.476 27.865 -25.553 1.00 -0.34 O HETATM 1194 H79 ASP A 22 -5.358 27.605 -25.315 1.00 0.25 H HETATM 1195 H77 ASP A 22 -2.585 28.497 -23.863 1.00 0.05 H HETATM 1196 H75 ASP A 22 -2.144 30.754 -23.001 1.00 0.05 H HETATM 1197 H73 ASP A 22 -2.417 33.106 -23.217 1.00 0.05 H HETATM 1198 H74 ASP A 22 -3.597 33.786 -24.388 1.00 0.05 H HETATM 1199 H72 ASP A 22 -5.406 33.148 -22.695 1.00 0.08 H HETATM 1200 H71 ASP A 22 -3.540 35.339 -21.913 1.00 0.19 H HETATM 1201 CB ASP A 22 -5.406 37.348 -20.619 1.00 0.08 C HETATM 1202 CG ASP A 22 -5.065 38.783 -20.262 1.00 0.18 C HETATM 1203 OD1 ASP A 22 -3.902 39.186 -20.307 1.00 -0.40 O HETATM 1204 ND2 ASP A 22 -6.078 39.559 -19.891 1.00 -0.30 N HETATM 1205 H69 ASP A 22 -5.912 40.514 -19.644 1.00 0.18 H HETATM 1206 H70 ASP A 22 -7.006 39.188 -19.858 1.00 0.18 H HETATM 1207 H67 ASP A 22 -4.673 36.683 -20.140 1.00 0.06 H HETATM 1208 H68 ASP A 22 -6.412 37.120 -20.238 1.00 0.06 H HETATM 1209 H66 ASP A 22 -4.434 37.466 -22.536 1.00 0.08 H HETATM 1210 H65 ASP A 22 -7.409 37.666 -22.444 1.00 0.19 H HETATM 1211 CB ASP A 22 -7.632 40.666 -24.271 1.00 -0.01 C HETATM 1212 CG ASP A 22 -8.180 41.493 -25.438 1.00 -0.04 C HETATM 1213 CD1 ASP A 22 -9.384 40.828 -26.087 1.00 -0.06 C HETATM 1214 H59 ASP A 22 -9.745 41.453 -26.917 1.00 0.02 H HETATM 1215 H60 ASP A 22 -10.184 40.711 -25.342 1.00 0.02 H HETATM 1216 H61 ASP A 22 -9.094 39.839 -26.472 1.00 0.02 H HETATM 1217 CD2 ASP A 22 -8.538 42.890 -24.957 1.00 -0.06 C HETATM 1218 H62 ASP A 22 -7.656 43.355 -24.491 1.00 0.02 H HETATM 1219 H63 ASP A 22 -9.352 42.827 -24.220 1.00 0.02 H HETATM 1220 H64 ASP A 22 -8.865 43.500 -25.812 1.00 0.02 H HETATM 1221 H58 ASP A 22 -7.389 41.579 -26.198 1.00 0.03 H HETATM 1222 H56 ASP A 22 -6.617 41.030 -24.054 1.00 0.03 H HETATM 1223 H57 ASP A 22 -8.280 40.849 -23.401 1.00 0.03 H HETATM 1224 H55 ASP A 22 -7.513 38.949 -25.554 1.00 0.08 H HETATM 1225 H54 ASP A 22 -9.011 38.729 -22.986 1.00 0.19 H HETATM 1226 CB ASP A 22 -10.118 36.457 -22.507 1.00 0.08 C HETATM 1227 OG ASP A 22 -8.879 35.778 -22.595 1.00 -0.39 O HETATM 1228 H53 ASP A 22 -8.220 36.368 -22.941 1.00 0.21 H HETATM 1229 H51 ASP A 22 -10.876 35.770 -22.102 1.00 0.06 H HETATM 1230 H52 ASP A 22 -10.008 37.320 -21.834 1.00 0.06 H HETATM 1231 H50 ASP A 22 -11.360 37.708 -23.737 1.00 0.08 H HETATM 1232 H49 ASP A 22 -10.569 35.423 -25.373 1.00 0.19 H HETATM 1233 CB ASP A 22 -12.430 32.978 -25.047 1.00 -0.01 C HETATM 1234 CG ASP A 22 -11.319 32.658 -25.992 1.00 -0.03 C HETATM 1235 CD ASP A 22 -11.679 33.336 -27.271 1.00 0.04 C HETATM 1236 H47 ASP A 22 -10.780 33.601 -27.846 1.00 0.05 H HETATM 1237 H48 ASP A 22 -12.333 32.701 -27.886 1.00 0.05 H HETATM 1238 H45 ASP A 22 -11.242 31.571 -26.141 1.00 0.03 H HETATM 1239 H46 ASP A 22 -10.364 33.044 -25.608 1.00 0.03 H HETATM 1240 H43 ASP A 22 -13.245 32.246 -25.148 1.00 0.03 H HETATM 1241 H44 ASP A 22 -12.065 32.980 -24.009 1.00 0.03 H HETATM 1242 H42 ASP A 22 -14.012 34.425 -25.454 1.00 0.08 H HETATM 1243 CB ASP A 22 -10.564 36.293 -28.862 1.00 -0.01 C HETATM 1244 CG ASP A 22 -10.761 37.756 -29.065 1.00 -0.03 C HETATM 1245 CD ASP A 22 -11.900 37.887 -30.030 1.00 0.04 C HETATM 1246 H40 ASP A 22 -12.502 38.781 -29.810 1.00 0.05 H HETATM 1247 H41 ASP A 22 -11.535 37.937 -31.066 1.00 0.05 H HETATM 1248 H38 ASP A 22 -9.851 38.210 -29.484 1.00 0.03 H HETATM 1249 H39 ASP A 22 -11.009 38.245 -28.111 1.00 0.03 H HETATM 1250 H36 ASP A 22 -9.927 35.872 -29.654 1.00 0.03 H HETATM 1251 H37 ASP A 22 -10.109 36.094 -27.881 1.00 0.03 H HETATM 1252 H35 ASP A 22 -11.967 34.700 -29.375 1.00 0.08 H HETATM 1253 H33 ASP A 22 -14.633 38.401 -30.632 1.00 0.08 H HETATM 1254 H34 ASP A 22 -13.810 37.675 -32.054 1.00 0.08 H HETATM 1255 H32 ASP A 22 -16.519 36.849 -31.096 1.00 0.19 H HETATM 1256 CB ASP A 22 -17.262 34.798 -33.540 1.00 -0.01 C HETATM 1257 CG1 ASP A 22 -17.046 34.188 -32.183 1.00 -0.06 C HETATM 1258 H26 ASP A 22 -16.971 33.095 -32.280 1.00 0.02 H HETATM 1259 H27 ASP A 22 -17.893 34.441 -31.528 1.00 0.02 H HETATM 1260 H28 ASP A 22 -16.116 34.582 -31.748 1.00 0.02 H HETATM 1261 CG2 ASP A 22 -18.525 34.224 -34.149 1.00 -0.06 C HETATM 1262 H29 ASP A 22 -18.687 34.667 -35.142 1.00 0.02 H HETATM 1263 H30 ASP A 22 -19.383 34.455 -33.500 1.00 0.02 H HETATM 1264 H31 ASP A 22 -18.422 33.133 -34.247 1.00 0.02 H HETATM 1265 H25 ASP A 22 -16.407 34.548 -34.185 1.00 0.03 H HETATM 1266 H24 ASP A 22 -18.071 36.554 -32.615 1.00 0.08 H HETATM 1267 H23 ASP A 22 -17.596 36.566 -35.542 1.00 0.19 H HETATM 1268 CB ASP A 22 -18.992 39.298 -36.615 1.00 -0.02 C HETATM 1269 H20 ASP A 22 -17.985 39.022 -36.960 1.00 0.03 H HETATM 1270 H21 ASP A 22 -18.923 40.160 -35.935 1.00 0.03 H HETATM 1271 H22 ASP A 22 -19.616 39.563 -37.481 1.00 0.03 H HETATM 1272 H19 ASP A 22 -19.630 37.255 -36.551 1.00 0.08 H HETATM 1273 H18 ASP A 22 -21.070 38.641 -34.438 1.00 0.19 H HETATM 1274 CB ASP A 22 -24.397 37.758 -36.088 1.00 -0.01 C HETATM 1275 CG ASP A 22 -24.137 36.250 -36.043 1.00 -0.04 C HETATM 1276 CD1 ASP A 22 -23.566 35.884 -34.695 1.00 -0.06 C HETATM 1277 H12 ASP A 22 -23.378 34.801 -34.658 1.00 0.02 H HETATM 1278 H13 ASP A 22 -24.282 36.158 -33.907 1.00 0.02 H HETATM 1279 H14 ASP A 22 -22.622 36.426 -34.537 1.00 0.02 H HETATM 1280 CD2 ASP A 22 -25.402 35.470 -36.386 1.00 -0.06 C HETATM 1281 H15 ASP A 22 -25.767 35.781 -37.376 1.00 0.02 H HETATM 1282 H16 ASP A 22 -26.174 35.673 -35.630 1.00 0.02 H HETATM 1283 H17 ASP A 22 -25.177 34.393 -36.400 1.00 0.02 H HETATM 1284 H11 ASP A 22 -23.382 36.008 -36.806 1.00 0.03 H HETATM 1285 H9 ASP A 22 -24.508 38.040 -37.145 1.00 0.03 H HETATM 1286 H10 ASP A 22 -25.343 37.944 -35.558 1.00 0.03 H HETATM 1287 H8 ASP A 22 -23.185 38.382 -34.430 1.00 0.08 H HETATM 1288 H7 ASP A 22 -23.805 40.591 -36.311 1.00 0.19 H HETATM 1289 CB ASP A 22 -25.121 42.657 -33.177 1.00 0.06 C HETATM 1290 CG ASP A 22 -23.788 43.240 -32.751 1.00 0.04 C HETATM 1291 OD1 ASP A 22 -22.762 42.533 -32.847 1.00 -0.57 O HETATM 1292 OD2 ASP A 22 -23.763 44.415 -32.331 1.00 -0.57 O HETATM 1293 H5 ASP A 22 -25.454 41.941 -32.411 1.00 0.05 H HETATM 1294 H6 ASP A 22 -25.853 43.474 -33.259 1.00 0.05 H HETATM 1295 H4 ASP A 22 -24.485 42.568 -35.227 1.00 0.11 H HETATM 1296 H1 ASP A 22 -26.855 42.587 -35.160 1.00 0.20 H HETATM 1297 H2 ASP A 22 -26.896 41.113 -34.428 1.00 0.20 H HETATM 1298 H3 ASP A 22 -26.306 41.256 -35.958 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 553 554 560 561 562 CONECT 560 553 CONECT 561 553 CONECT 562 553 CONECT 1097 1098 1296 1297 1298 CONECT 1098 1097 1099 1289 1295 CONECT 1099 1098 1100 1101 CONECT 1100 1099 CONECT 1101 1099 1102 1288 CONECT 1102 1101 1103 1274 1287 CONECT 1103 1102 1104 1105 CONECT 1104 1103 CONECT 1105 1103 1106 1273 CONECT 1106 1105 1107 1268 1272 CONECT 1107 1106 1108 1109 CONECT 1108 1107 CONECT 1109 1107 1110 1267 CONECT 1110 1109 1111 1256 1266 CONECT 1111 1110 1112 1113 CONECT 1112 1111 CONECT 1113 1111 1114 1255 CONECT 1114 1113 1115 1253 1254 CONECT 1115 1114 1116 1117 CONECT 1116 1115 CONECT 1117 1115 1118 1245 CONECT 1118 1117 1119 1243 1252 CONECT 1119 1118 1120 1121 CONECT 1120 1119 CONECT 1121 1119 1122 1235 CONECT 1122 1121 1123 1233 1242 CONECT 1123 1122 1124 1125 CONECT 1124 1123 CONECT 1125 1123 1126 1232 CONECT 1126 1125 1127 1226 1231 CONECT 1127 1126 1128 1129 CONECT 1128 1127 CONECT 1129 1127 1130 1225 CONECT 1130 1129 1131 1211 1224 CONECT 1131 1130 1132 1133 CONECT 1132 1131 CONECT 1133 1131 1134 1210 CONECT 1134 1133 1135 1201 1209 CONECT 1135 1134 1136 1137 CONECT 1136 1135 CONECT 1137 1135 1138 1200 CONECT 1138 1137 1139 1184 1199 CONECT 1139 1138 1140 1141 CONECT 1140 1139 CONECT 1141 1139 1142 1176 CONECT 1142 1141 1143 1174 1183 CONECT 1143 1142 1144 1145 CONECT 1144 1143 CONECT 1145 1143 1146 1173 CONECT 1146 1145 1147 1171 1172 CONECT 1147 1146 1148 1149 CONECT 1148 1147 CONECT 1149 1147 1150 1170 CONECT 1150 1149 1151 1154 1169 CONECT 1151 1150 1152 1153 CONECT 1152 1151 CONECT 1153 1151 CONECT 1154 1150 1155 1167 1168 CONECT 1155 1154 1156 1160 CONECT 1156 1155 1157 1166 CONECT 1157 1156 1158 1165 CONECT 1158 1157 1159 1163 CONECT 1159 1158 1160 1162 CONECT 1160 1155 1159 1161 CONECT 1161 1160 CONECT 1162 1159 CONECT 1163 1158 1164 CONECT 1164 1163 CONECT 1165 1157 CONECT 1166 1156 CONECT 1167 1154 CONECT 1168 1154 CONECT 1169 1150 CONECT 1170 1149 CONECT 1171 1146 CONECT 1172 1146 CONECT 1173 1145 CONECT 1174 1142 1175 1181 1182 CONECT 1175 1174 1176 1179 1180 CONECT 1176 1141 1175 1177 1178 CONECT 1177 1176 CONECT 1178 1176 CONECT 1179 1175 CONECT 1180 1175 CONECT 1181 1174 CONECT 1182 1174 CONECT 1183 1142 CONECT 1184 1138 1185 1197 1198 CONECT 1185 1184 1186 1190 CONECT 1186 1185 1187 1196 CONECT 1187 1186 1188 1195 CONECT 1188 1187 1189 1193 CONECT 1189 1188 1190 1192 CONECT 1190 1185 1189 1191 CONECT 1191 1190 CONECT 1192 1189 CONECT 1193 1188 1194 CONECT 1194 1193 CONECT 1195 1187 CONECT 1196 1186 CONECT 1197 1184 CONECT 1198 1184 CONECT 1199 1138 CONECT 1200 1137 CONECT 1201 1134 1202 1207 1208 CONECT 1202 1201 1203 1204 CONECT 1203 1202 CONECT 1204 1202 1205 1206 CONECT 1205 1204 CONECT 1206 1204 CONECT 1207 1201 CONECT 1208 1201 CONECT 1209 1134 CONECT 1210 1133 CONECT 1211 1130 1212 1222 1223 CONECT 1212 1211 1213 1217 1221 CONECT 1213 1212 1214 1215 1216 CONECT 1214 1213 CONECT 1215 1213 CONECT 1216 1213 CONECT 1217 1212 1218 1219 1220 CONECT 1218 1217 CONECT 1219 1217 CONECT 1220 1217 CONECT 1221 1212 CONECT 1222 1211 CONECT 1223 1211 CONECT 1224 1130 CONECT 1225 1129 CONECT 1226 1126 1227 1229 1230 CONECT 1227 1226 1228 CONECT 1228 1227 CONECT 1229 1226 CONECT 1230 1226 CONECT 1231 1126 CONECT 1232 1125 CONECT 1233 1122 1234 1240 1241 CONECT 1234 1233 1235 1238 1239 CONECT 1235 1121 1234 1236 1237 CONECT 1236 1235 CONECT 1237 1235 CONECT 1238 1234 CONECT 1239 1234 CONECT 1240 1233 CONECT 1241 1233 CONECT 1242 1122 CONECT 1243 1118 1244 1250 1251 CONECT 1244 1243 1245 1248 1249 CONECT 1245 1117 1244 1246 1247 CONECT 1246 1245 CONECT 1247 1245 CONECT 1248 1244 CONECT 1249 1244 CONECT 1250 1243 CONECT 1251 1243 CONECT 1252 1118 CONECT 1253 1114 CONECT 1254 1114 CONECT 1255 1113 CONECT 1256 1110 1257 1261 1265 CONECT 1257 1256 1258 1259 1260 CONECT 1258 1257 CONECT 1259 1257 CONECT 1260 1257 CONECT 1261 1256 1262 1263 1264 CONECT 1262 1261 CONECT 1263 1261 CONECT 1264 1261 CONECT 1265 1256 CONECT 1266 1110 CONECT 1267 1109 CONECT 1268 1106 1269 1270 1271 CONECT 1269 1268 CONECT 1270 1268 CONECT 1271 1268 CONECT 1272 1106 CONECT 1273 1105 CONECT 1274 1102 1275 1285 1286 CONECT 1275 1274 1276 1280 1284 CONECT 1276 1275 1277 1278 1279 CONECT 1277 1276 CONECT 1278 1276 CONECT 1279 1276 CONECT 1280 1275 1281 1282 1283 CONECT 1281 1280 CONECT 1282 1280 CONECT 1283 1280 CONECT 1284 1275 CONECT 1285 1274 CONECT 1286 1274 CONECT 1287 1102 CONECT 1288 1101 CONECT 1289 1098 1290 1293 1294 CONECT 1290 1289 1291 1292 CONECT 1291 1290 CONECT 1292 1290 CONECT 1293 1289 CONECT 1294 1289 CONECT 1295 1098 CONECT 1296 1097 CONECT 1297 1097 CONECT 1298 1097 MASTER 0 0 0 0 0 0 0 0 1296 2 210 9 END
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Entry Information
PDB ID
3wuu
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Centrosomal protein of 55 kDa, CEP55 (160-217)
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
2.9(Å)
Affinity (Kd/Ki/IC50)
Kd=7.3uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Proc.Natl.Acad.Sci.USA Vol. 112(40): pp. 12372-12377
Ligand Properties
Formula
C
6
8
H
1
0
0
N
1
5
O
2
1
Molecular Weight
1463.610
Exact Mass
1462.720
No. of atoms
204
No. of bonds
208
Polar Surface Area
557.95
LOGP Value
-1.22 (
Computed with XLOGP3
)
-0.80 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 52
No. of Nitrogen and Oxygen Atoms: 36
No. of Rings: 5
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CC(=O)N)CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])CC(C)C)C
InChI String
InChI=1S/C68H99N15O21/c1-34(2)25-43(75-58(93)42(69)29-55(90)91)59(94)73-37(7)57(92)80-56(36(5)6)65(100)72-32-54(89)81-22-10-13-51(81)67(102)83-24-9-12-50(83)64(99)79-48(33-84)62(97)76-44(26-35(3)4)60(95)77-45(30-52(70)87)61(96)78-46(27-38-14-18-40(85)19-15-38)66(101)82-23-8-11-49(82)63(98)71-31-53(88)74-47(68(103)104)28-39-16-20-41(86)21-17-39/h14-21,34-37,42-51,56,84-86H,8-13,22-33,69H2,1-7H3,(H2,70,87)(H,71,98)(H,72,100)(H,73,94)(H,74,88)(H,75,93)(H,76,97)(H,77,95)(H,78,96)(H,79,99)(H,80,92)(H,90,91)(H,103,104)/p+1/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,56-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q53EZ4
Q8IWB6
Entrez Gene ID
NCBI Entrez Gene ID:
55165
56155
ASD
Information of known allosteric effects of PDB entries
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