Browse entries in the PDBbind-CN Database
HEADER 5ODY_COMPLEX COMPND 5ODY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 138 PRO LEU ILE VAL PRO TYR ASN LEU PRO LEU PRO GLY GLY SEQRES 2 A 138 VAL VAL PRO ARG MET LEU ILE THR ILE LEU GLY THR VAL SEQRES 3 A 138 LYS PRO ASN ALA ASN ARG ILE ALA LEU ASP PHE GLN ARG SEQRES 4 A 138 GLY ASN ASP VAL ALA PHE HIS PHE ASN PRO ARG PHE ASN SEQRES 5 A 138 GLU ASN ASN ARG ARG VAL ILE VAL CYS ASN THR LYS LEU SEQRES 6 A 138 ASP ASN ASN TRP GLY ARG GLU GLU ARG GLN SER VAL PHE SEQRES 7 A 138 PRO PHE GLU SER GLY LYS PRO PHE LYS ILE GLN VAL LEU SEQRES 8 A 138 VAL GLU PRO ASP HIS PHE LYS VAL ALA VAL ASN ASP ALA SEQRES 9 A 138 HIS LEU LEU GLN TYR ASN HIS ARG VAL LYS LYS LEU ASN SEQRES 10 A 138 GLU ILE SER LYS LEU GLY ILE SER GLY ASP ILE ASP LEU SEQRES 11 A 138 THR SER ALA SER TYR THR MET ILE HET UNN A 299 78 ATOM 1 N PRO A 113 6.702 4.425 10.211 1.00 21.61 N ATOM 2 CA PRO A 113 5.710 4.885 9.246 1.00 19.64 C ATOM 3 C PRO A 113 5.844 4.331 7.819 1.00 16.49 C ATOM 4 O PRO A 113 6.936 4.079 7.269 1.00 17.95 O ATOM 5 CB PRO A 113 5.922 6.403 9.218 1.00 22.62 C ATOM 6 HN3 PRO A 113 7.652 4.696 9.885 1.00 0.00 H ATOM 7 HN2 PRO A 113 6.646 3.390 10.298 1.00 0.00 H ATOM 8 HN1 PRO A 113 6.513 4.862 11.135 1.00 0.00 H ATOM 9 N LEU A 114 4.678 4.175 7.208 1.00 13.48 N ATOM 10 CA LEU A 114 4.511 3.892 5.798 1.00 14.13 C ATOM 11 C LEU A 114 3.810 5.099 5.214 1.00 14.59 C ATOM 12 O LEU A 114 3.247 5.915 5.949 1.00 17.67 O ATOM 13 CB LEU A 114 3.638 2.643 5.593 1.00 15.41 C ATOM 14 CG LEU A 114 4.143 1.392 6.317 1.00 17.54 C ATOM 15 CD1 LEU A 114 3.107 0.292 6.264 1.00 17.95 C ATOM 16 CD2 LEU A 114 5.471 0.885 5.761 1.00 19.82 C ATOM 17 H LEU A 114 3.818 4.263 7.786 1.00 0.00 H ATOM 18 N ILE A 115 3.882 5.230 3.903 1.00 15.08 N ATOM 19 CA ILE A 115 3.368 6.399 3.202 1.00 16.12 C ATOM 20 C ILE A 115 2.054 6.028 2.516 1.00 14.25 C ATOM 21 O ILE A 115 1.978 5.041 1.782 1.00 17.05 O ATOM 22 CB ILE A 115 4.415 6.930 2.208 1.00 21.07 C ATOM 23 CG1 ILE A 115 5.761 7.189 2.928 1.00 22.87 C ATOM 24 CG2 ILE A 115 3.914 8.193 1.539 1.00 22.48 C ATOM 25 CD1 ILE A 115 5.697 8.178 4.105 1.00 25.31 C ATOM 26 H ILE A 115 4.323 4.469 3.348 1.00 0.00 H ATOM 27 N VAL A 116 1.021 6.817 2.750 1.00 13.44 N ATOM 28 CA VAL A 116 -0.276 6.606 2.109 1.00 11.95 C ATOM 29 C VAL A 116 -0.331 7.449 0.838 1.00 12.97 C ATOM 30 O VAL A 116 0.364 8.471 0.741 1.00 15.48 O ATOM 31 CB VAL A 116 -1.390 6.937 3.099 1.00 15.23 C ATOM 32 CG1 VAL A 116 -1.727 5.888 4.043 1.00 16.62 C ATOM 33 CG2 VAL A 116 -1.798 8.300 3.271 1.00 19.81 C ATOM 34 H VAL A 116 1.134 7.613 3.410 1.00 0.00 H ATOM 35 N PRO A 117 -1.118 7.059 -0.173 1.00 12.31 N ATOM 36 CA PRO A 117 -1.910 5.826 -0.218 1.00 11.96 C ATOM 37 C PRO A 117 -1.060 4.555 -0.260 1.00 11.23 C ATOM 38 O PRO A 117 0.021 4.515 -0.854 1.00 13.11 O ATOM 39 CB PRO A 117 -2.691 5.933 -1.531 1.00 15.76 C ATOM 40 CG PRO A 117 -2.520 7.285 -2.003 1.00 19.97 C ATOM 41 CD PRO A 117 -1.273 7.843 -1.404 1.00 15.92 C ATOM 42 N TYR A 118 -1.576 3.509 0.375 1.00 10.67 N ATOM 43 CA TYR A 118 -0.855 2.259 0.563 1.00 10.75 C ATOM 44 C TYR A 118 -1.739 1.114 0.124 1.00 10.84 C ATOM 45 O TYR A 118 -2.900 1.042 0.523 1.00 12.25 O ATOM 46 CB TYR A 118 -0.494 2.067 2.034 1.00 11.88 C ATOM 47 CG TYR A 118 0.356 0.852 2.304 1.00 14.34 C ATOM 48 CD1 TYR A 118 1.735 0.922 2.200 1.00 18.27 C ATOM 49 CD2 TYR A 118 -0.214 -0.344 2.715 1.00 13.94 C ATOM 50 CE1 TYR A 118 2.514 -0.169 2.471 1.00 19.00 C ATOM 51 CE2 TYR A 118 0.554 -1.444 2.981 1.00 16.03 C ATOM 52 CZ TYR A 118 1.915 -1.354 2.848 1.00 18.90 C ATOM 53 OH TYR A 118 2.708 -2.447 3.122 1.00 22.75 O ATOM 54 HH TYR A 118 2.577 -2.721 4.064 1.00 0.00 H ATOM 55 H TYR A 118 -2.541 3.587 0.756 1.00 0.00 H ATOM 56 N ASN A 119 -1.201 0.205 -0.672 1.00 11.80 N ATOM 57 CA ASN A 119 -1.926 -1.002 -1.054 1.00 13.85 C ATOM 58 C ASN A 119 -1.339 -2.213 -0.335 1.00 14.13 C ATOM 59 O ASN A 119 -0.145 -2.513 -0.476 1.00 16.49 O ATOM 60 CB ASN A 119 -1.874 -1.203 -2.566 1.00 17.01 C ATOM 61 CG ASN A 119 -2.808 -0.232 -3.330 1.00 21.75 C ATOM 62 OD1 ASN A 119 -3.870 0.179 -2.837 1.00 25.48 O ATOM 63 ND2 ASN A 119 -2.402 0.133 -4.541 1.00 25.09 N ATOM 64 HD22 ASN A 119 -1.506 -0.232 -4.921 1.00 0.00 H ATOM 65 HD21 ASN A 119 -2.981 0.784 -5.109 1.00 0.00 H ATOM 66 H ASN A 119 -0.238 0.354 -1.034 1.00 0.00 H ATOM 67 N LEU A 120 -2.189 -2.911 0.427 1.00 12.76 N ATOM 68 CA LEU A 120 -1.824 -4.166 1.044 1.00 14.00 C ATOM 69 C LEU A 120 -2.393 -5.293 0.206 1.00 12.81 C ATOM 70 O LEU A 120 -3.614 -5.413 0.132 1.00 10.76 O ATOM 71 CB LEU A 120 -2.420 -4.237 2.442 1.00 13.56 C ATOM 72 CG LEU A 120 -2.162 -5.529 3.219 1.00 15.76 C ATOM 73 CD1 LEU A 120 -0.686 -5.684 3.548 1.00 17.70 C ATOM 74 CD2 LEU A 120 -3.012 -5.552 4.485 1.00 15.95 C ATOM 75 H LEU A 120 -3.147 -2.537 0.581 1.00 0.00 H ATOM 76 N PRO A 121 -1.577 -6.148 -0.413 1.00 14.84 N ATOM 77 CA PRO A 121 -2.128 -7.315 -1.108 1.00 15.74 C ATOM 78 C PRO A 121 -2.764 -8.270 -0.131 1.00 13.92 C ATOM 79 O PRO A 121 -2.307 -8.449 1.001 1.00 14.49 O ATOM 80 CB PRO A 121 -0.901 -7.977 -1.740 1.00 19.18 C ATOM 81 CG PRO A 121 0.170 -6.969 -1.682 1.00 19.65 C ATOM 82 CD PRO A 121 -0.112 -6.085 -0.515 1.00 18.29 C ATOM 83 N LEU A 122 -3.828 -8.902 -0.594 1.00 13.01 N ATOM 84 CA LEU A 122 -4.524 -9.945 0.140 1.00 12.06 C ATOM 85 C LEU A 122 -4.531 -11.150 -0.798 1.00 11.07 C ATOM 86 O LEU A 122 -5.499 -11.377 -1.529 1.00 10.18 O ATOM 87 CB LEU A 122 -5.939 -9.487 0.482 1.00 11.81 C ATOM 88 CG LEU A 122 -6.044 -8.185 1.289 1.00 12.02 C ATOM 89 CD1 LEU A 122 -7.479 -7.732 1.411 1.00 11.71 C ATOM 90 CD2 LEU A 122 -5.411 -8.339 2.671 1.00 14.85 C ATOM 91 H LEU A 122 -4.186 -8.639 -1.534 1.00 0.00 H ATOM 92 N PRO A 123 -3.455 -11.928 -0.830 1.00 12.57 N ATOM 93 CA PRO A 123 -3.289 -12.924 -1.897 1.00 11.26 C ATOM 94 C PRO A 123 -4.299 -14.041 -1.737 1.00 12.25 C ATOM 95 O PRO A 123 -4.436 -14.632 -0.662 1.00 15.71 O ATOM 96 CB PRO A 123 -1.860 -13.435 -1.683 1.00 12.96 C ATOM 97 CG PRO A 123 -1.202 -12.401 -0.852 1.00 12.69 C ATOM 98 CD PRO A 123 -2.267 -11.829 0.015 1.00 14.52 C ATOM 99 N GLY A 124 -4.986 -14.355 -2.823 1.00 10.43 N ATOM 100 CA GLY A 124 -6.082 -15.317 -2.763 1.00 11.74 C ATOM 101 C GLY A 124 -7.304 -14.797 -2.056 1.00 13.87 C ATOM 102 O GLY A 124 -8.179 -15.580 -1.674 1.00 15.03 O ATOM 103 H GLY A 124 -4.742 -13.911 -3.731 1.00 0.00 H ATOM 104 N GLY A 125 -7.385 -13.482 -1.866 1.00 13.08 N ATOM 105 CA GLY A 125 -8.534 -12.870 -1.235 1.00 13.07 C ATOM 106 C GLY A 125 -8.560 -13.083 0.270 1.00 12.41 C ATOM 107 O GLY A 125 -7.567 -13.436 0.913 1.00 16.42 O ATOM 108 H GLY A 125 -6.600 -12.877 -2.180 1.00 0.00 H ATOM 109 N VAL A 126 -9.741 -12.868 0.826 1.00 9.56 N ATOM 110 CA VAL A 126 -9.975 -12.991 2.255 1.00 8.18 C ATOM 111 C VAL A 126 -10.774 -14.269 2.523 1.00 9.33 C ATOM 112 O VAL A 126 -11.297 -14.903 1.611 1.00 10.51 O ATOM 113 CB VAL A 126 -10.675 -11.737 2.844 1.00 9.24 C ATOM 114 CG1 VAL A 126 -9.853 -10.485 2.563 1.00 10.31 C ATOM 115 CG2 VAL A 126 -12.081 -11.577 2.324 1.00 9.51 C ATOM 116 H VAL A 126 -10.537 -12.599 0.213 1.00 0.00 H ATOM 117 N VAL A 127 -10.848 -14.651 3.794 1.00 10.00 N ATOM 118 CA VAL A 127 -11.458 -15.901 4.231 1.00 9.73 C ATOM 119 C VAL A 127 -11.913 -15.698 5.671 1.00 9.10 C ATOM 120 O VAL A 127 -11.301 -14.907 6.409 1.00 9.33 O ATOM 121 CB VAL A 127 -10.445 -17.050 4.102 1.00 11.94 C ATOM 122 CG1 VAL A 127 -9.223 -16.864 5.025 1.00 12.47 C ATOM 123 CG2 VAL A 127 -11.123 -18.393 4.330 1.00 14.21 C ATOM 124 H VAL A 127 -10.448 -14.022 4.519 1.00 0.00 H ATOM 125 N PRO A 128 -12.987 -16.343 6.123 1.00 10.16 N ATOM 126 CA PRO A 128 -13.385 -16.170 7.519 1.00 11.53 C ATOM 127 C PRO A 128 -12.256 -16.542 8.461 1.00 9.97 C ATOM 128 O PRO A 128 -11.486 -17.471 8.207 1.00 10.55 O ATOM 129 CB PRO A 128 -14.602 -17.087 7.652 1.00 11.73 C ATOM 130 CG PRO A 128 -15.216 -17.011 6.280 1.00 12.53 C ATOM 131 CD PRO A 128 -14.028 -17.062 5.364 1.00 10.91 C ATOM 132 N ARG A 129 -12.183 -15.788 9.551 1.00 10.05 N ATOM 133 CA ARG A 129 -11.173 -15.852 10.605 1.00 9.77 C ATOM 134 C ARG A 129 -9.919 -15.071 10.268 1.00 8.88 C ATOM 135 O ARG A 129 -8.987 -15.022 11.075 1.00 11.41 O ATOM 136 CB ARG A 129 -10.847 -17.266 11.071 1.00 11.60 C ATOM 137 CG ARG A 129 -12.082 -17.975 11.590 1.00 14.53 C ATOM 138 CD ARG A 129 -11.775 -19.362 12.102 1.00 17.64 C ATOM 139 NE ARG A 129 -11.195 -20.247 11.096 1.00 21.00 N ATOM 140 CZ ARG A 129 -11.879 -20.929 10.177 1.00 25.94 C ATOM 141 NH1 ARG A 129 -13.214 -20.860 10.098 1.00 27.33 N ATOM 142 NH2 ARG A 129 -11.219 -21.706 9.327 1.00 28.44 N ATOM 143 HE ARG A 129 -10.161 -20.355 11.096 1.00 0.00 H ATOM 144 HH12 ARG A 129 -13.721 -21.404 9.370 1.00 0.00 H ATOM 145 HH11 ARG A 129 -13.744 -20.263 10.764 1.00 0.00 H ATOM 146 HH22 ARG A 129 -11.738 -22.244 8.604 1.00 0.00 H ATOM 147 HH21 ARG A 129 -10.183 -21.776 9.384 1.00 0.00 H ATOM 148 H ARG A 129 -12.928 -15.072 9.668 1.00 0.00 H ATOM 149 N MET A 130 -9.883 -14.413 9.117 1.00 9.43 N ATOM 150 CA MET A 130 -8.791 -13.514 8.782 1.00 9.59 C ATOM 151 C MET A 130 -9.017 -12.176 9.479 1.00 9.72 C ATOM 152 O MET A 130 -10.039 -11.515 9.276 1.00 10.65 O ATOM 153 CB MET A 130 -8.724 -13.337 7.269 1.00 9.51 C ATOM 154 CG MET A 130 -7.464 -12.654 6.756 1.00 11.51 C ATOM 155 SD MET A 130 -7.435 -12.697 4.950 1.00 12.28 S ATOM 156 CE MET A 130 -5.892 -11.877 4.568 1.00 14.61 C ATOM 157 H MET A 130 -10.657 -14.544 8.435 1.00 0.00 H ATOM 158 N LEU A 131 -8.046 -11.768 10.274 1.00 10.24 N ATOM 159 CA LEU A 131 -8.093 -10.531 11.042 1.00 10.80 C ATOM 160 C LEU A 131 -7.073 -9.578 10.443 1.00 11.66 C ATOM 161 O LEU A 131 -5.866 -9.824 10.509 1.00 13.36 O ATOM 162 CB LEU A 131 -7.779 -10.833 12.504 1.00 12.20 C ATOM 163 CG LEU A 131 -7.770 -9.629 13.437 1.00 13.87 C ATOM 164 CD1 LEU A 131 -9.143 -8.998 13.513 1.00 14.03 C ATOM 165 CD2 LEU A 131 -7.289 -10.054 14.795 1.00 16.06 C ATOM 166 H LEU A 131 -7.198 -12.364 10.357 1.00 0.00 H ATOM 167 N ILE A 132 -7.563 -8.486 9.875 1.00 10.26 N ATOM 168 CA ILE A 132 -6.722 -7.483 9.231 1.00 10.55 C ATOM 169 C ILE A 132 -6.587 -6.307 10.182 1.00 10.98 C ATOM 170 O ILE A 132 -7.591 -5.762 10.630 1.00 11.97 O ATOM 171 CB ILE A 132 -7.297 -7.049 7.869 1.00 13.44 C ATOM 172 CG1 ILE A 132 -7.432 -8.261 6.949 1.00 16.18 C ATOM 173 CG2 ILE A 132 -6.366 -6.050 7.211 1.00 15.46 C ATOM 174 CD1 ILE A 132 -8.754 -8.505 6.393 1.00 17.37 C ATOM 175 H ILE A 132 -8.592 -8.337 9.889 1.00 0.00 H ATOM 176 N THR A 133 -5.354 -5.927 10.497 1.00 10.11 N ATOM 177 CA THR A 133 -5.069 -4.885 11.475 1.00 10.58 C ATOM 178 C THR A 133 -4.352 -3.728 10.796 1.00 10.63 C ATOM 179 O THR A 133 -3.283 -3.908 10.203 1.00 11.40 O ATOM 180 CB THR A 133 -4.230 -5.437 12.625 1.00 11.40 C ATOM 181 OG1 THR A 133 -4.957 -6.464 13.315 1.00 13.22 O ATOM 182 CG2 THR A 133 -3.912 -4.332 13.623 1.00 13.60 C ATOM 183 HG1 THR A 133 -5.169 -7.197 12.684 1.00 0.00 H ATOM 184 H THR A 133 -4.555 -6.395 10.024 1.00 0.00 H ATOM 185 N ILE A 134 -4.942 -2.543 10.909 1.00 9.07 N ATOM 186 CA ILE A 134 -4.365 -1.311 10.381 1.00 9.04 C ATOM 187 C ILE A 134 -4.087 -0.396 11.562 1.00 8.89 C ATOM 188 O ILE A 134 -5.011 -0.015 12.290 1.00 9.81 O ATOM 189 CB ILE A 134 -5.305 -0.621 9.378 1.00 10.11 C ATOM 190 CG1 ILE A 134 -5.804 -1.614 8.327 1.00 12.39 C ATOM 191 CG2 ILE A 134 -4.606 0.560 8.740 1.00 10.23 C ATOM 192 CD1 ILE A 134 -4.703 -2.312 7.576 1.00 13.52 C ATOM 193 H ILE A 134 -5.859 -2.491 11.397 1.00 0.00 H ATOM 194 N LEU A 135 -2.823 -0.042 11.736 1.00 8.10 N ATOM 195 CA LEU A 135 -2.370 0.870 12.776 1.00 8.50 C ATOM 196 C LEU A 135 -1.902 2.160 12.143 1.00 9.38 C ATOM 197 O LEU A 135 -1.169 2.134 11.163 1.00 10.08 O ATOM 198 CB LEU A 135 -1.196 0.252 13.524 1.00 10.56 C ATOM 199 CG LEU A 135 -1.500 -1.024 14.316 1.00 14.01 C ATOM 200 CD1 LEU A 135 -0.254 -1.748 14.761 1.00 17.16 C ATOM 201 CD2 LEU A 135 -2.336 -0.687 15.522 1.00 15.47 C ATOM 202 H LEU A 135 -2.111 -0.440 11.091 1.00 0.00 H ATOM 203 N GLY A 136 -2.310 3.284 12.708 1.00 9.93 N ATOM 204 CA GLY A 136 -1.775 4.555 12.255 1.00 10.34 C ATOM 205 C GLY A 136 -2.164 5.632 13.235 1.00 10.73 C ATOM 206 O GLY A 136 -2.716 5.358 14.300 1.00 11.85 O ATOM 207 H GLY A 136 -3.012 3.257 13.475 1.00 0.00 H ATOM 208 N THR A 137 -1.893 6.873 12.858 1.00 10.12 N ATOM 209 CA THR A 137 -2.270 8.033 13.655 1.00 9.82 C ATOM 210 C THR A 137 -3.013 9.012 12.763 1.00 9.70 C ATOM 211 O THR A 137 -2.603 9.255 11.634 1.00 10.78 O ATOM 212 CB THR A 137 -1.016 8.650 14.277 1.00 12.45 C ATOM 213 OG1 THR A 137 -0.427 7.695 15.163 1.00 13.90 O ATOM 214 CG2 THR A 137 -1.326 9.901 15.083 1.00 12.78 C ATOM 215 HG1 THR A 137 0.386 8.084 15.572 1.00 0.00 H ATOM 216 H THR A 137 -1.392 7.025 11.959 1.00 0.00 H ATOM 217 N VAL A 138 -4.143 9.526 13.237 1.00 9.99 N ATOM 218 CA VAL A 138 -4.877 10.522 12.467 1.00 9.83 C ATOM 219 C VAL A 138 -4.101 11.830 12.463 1.00 10.57 C ATOM 220 O VAL A 138 -3.655 12.306 13.509 1.00 12.50 O ATOM 221 CB VAL A 138 -6.271 10.744 13.068 1.00 11.98 C ATOM 222 CG1 VAL A 138 -7.051 11.781 12.269 1.00 12.63 C ATOM 223 CG2 VAL A 138 -7.046 9.461 13.134 1.00 12.43 C ATOM 224 H VAL A 138 -4.505 9.216 14.161 1.00 0.00 H ATOM 225 N LYS A 139 -3.989 12.457 11.297 1.00 10.79 N ATOM 226 CA LYS A 139 -3.322 13.743 11.205 1.00 12.49 C ATOM 227 C LYS A 139 -4.140 14.821 11.916 1.00 15.02 C ATOM 228 O LYS A 139 -5.345 14.673 12.103 1.00 15.55 O ATOM 229 CB LYS A 139 -3.146 14.111 9.739 1.00 14.72 C ATOM 230 CG LYS A 139 -2.058 13.332 9.102 1.00 17.81 C ATOM 231 CD LYS A 139 -1.936 13.687 7.641 1.00 21.65 C ATOM 232 CE LYS A 139 -0.725 13.049 7.013 1.00 26.48 C ATOM 233 NZ LYS A 139 -0.444 13.677 5.700 1.00 27.84 N ATOM 234 HZ1 LYS A 139 -1.263 13.548 5.073 1.00 0.00 H ATOM 235 HZ2 LYS A 139 -0.265 14.693 5.834 1.00 0.00 H ATOM 236 HZ3 LYS A 139 0.393 13.230 5.275 1.00 0.00 H ATOM 237 H LYS A 139 -4.384 12.021 10.439 1.00 0.00 H ATOM 238 N PRO A 140 -3.491 15.894 12.377 1.00 15.77 N ATOM 239 CA PRO A 140 -4.183 16.823 13.293 1.00 16.23 C ATOM 240 C PRO A 140 -5.403 17.513 12.689 1.00 15.78 C ATOM 241 O PRO A 140 -6.375 17.764 13.410 1.00 16.79 O ATOM 242 CB PRO A 140 -3.079 17.815 13.690 1.00 17.16 C ATOM 243 CG PRO A 140 -2.076 17.732 12.576 1.00 17.68 C ATOM 244 CD PRO A 140 -2.096 16.300 12.130 1.00 16.55 C ATOM 245 N ASN A 141 -5.398 17.822 11.390 1.00 14.78 N ATOM 246 CA ASN A 141 -6.550 18.480 10.778 1.00 14.81 C ATOM 247 C ASN A 141 -7.208 17.581 9.745 1.00 15.56 C ATOM 248 O ASN A 141 -7.449 17.990 8.603 1.00 16.80 O ATOM 249 CB ASN A 141 -6.145 19.831 10.181 1.00 18.54 C ATOM 250 CG ASN A 141 -6.253 20.961 11.184 1.00 22.54 C ATOM 251 OD1 ASN A 141 -5.248 21.517 11.627 1.00 25.51 O ATOM 252 ND2 ASN A 141 -7.487 21.303 11.553 1.00 23.30 N ATOM 253 HD22 ASN A 141 -8.307 20.805 11.152 1.00 0.00 H ATOM 254 HD21 ASN A 141 -7.630 22.068 12.242 1.00 0.00 H ATOM 255 H ASN A 141 -4.567 17.592 10.809 1.00 0.00 H ATOM 256 N ALA A 142 -7.539 16.371 10.178 1.00 16.03 N ATOM 257 CA ALA A 142 -8.014 15.330 9.284 1.00 13.21 C ATOM 258 C ALA A 142 -9.443 15.588 8.853 1.00 12.55 C ATOM 259 O ALA A 142 -10.296 16.045 9.617 1.00 13.44 O ATOM 260 CB ALA A 142 -7.972 13.957 9.962 1.00 13.02 C ATOM 261 H ALA A 142 -7.455 16.161 11.193 1.00 0.00 H ATOM 262 N ASN A 143 -9.707 15.216 7.626 1.00 10.91 N ATOM 263 CA ASN A 143 -11.038 15.284 7.071 1.00 12.39 C ATOM 264 C ASN A 143 -11.611 13.919 6.711 1.00 9.85 C ATOM 265 O ASN A 143 -12.822 13.725 6.826 1.00 10.33 O ATOM 266 CB ASN A 143 -10.981 16.162 5.822 1.00 16.93 C ATOM 267 CG ASN A 143 -12.265 16.239 5.104 1.00 22.54 C ATOM 268 OD1 ASN A 143 -13.236 16.767 5.624 1.00 23.21 O ATOM 269 ND2 ASN A 143 -12.281 15.748 3.870 1.00 24.63 N ATOM 270 HD22 ASN A 143 -11.426 15.308 3.474 1.00 0.00 H ATOM 271 HD21 ASN A 143 -13.149 15.804 3.299 1.00 0.00 H ATOM 272 H ASN A 143 -8.932 14.860 7.031 1.00 0.00 H ATOM 273 N ARG A 144 -10.783 12.974 6.276 1.00 8.87 N ATOM 274 CA ARG A 144 -11.309 11.709 5.775 1.00 9.28 C ATOM 275 C ARG A 144 -10.256 10.612 5.890 1.00 9.86 C ATOM 276 O ARG A 144 -9.053 10.866 5.866 1.00 10.76 O ATOM 277 CB ARG A 144 -11.740 11.845 4.308 1.00 11.12 C ATOM 278 CG ARG A 144 -10.574 12.105 3.363 1.00 13.26 C ATOM 279 CD ARG A 144 -11.028 12.398 1.913 1.00 14.18 C ATOM 280 NE ARG A 144 -9.869 12.590 1.028 1.00 13.60 N ATOM 281 CZ ARG A 144 -9.904 12.578 -0.304 1.00 14.82 C ATOM 282 NH1 ARG A 144 -11.052 12.391 -0.944 1.00 17.05 N ATOM 283 NH2 ARG A 144 -8.785 12.761 -1.003 1.00 17.44 N ATOM 284 HE ARG A 144 -8.945 12.748 1.479 1.00 0.00 H ATOM 285 HH12 ARG A 144 -11.072 12.383 -1.984 1.00 0.00 H ATOM 286 HH11 ARG A 144 -11.931 12.253 -0.406 1.00 0.00 H ATOM 287 HH22 ARG A 144 -8.814 12.751 -2.043 1.00 0.00 H ATOM 288 HH21 ARG A 144 -7.882 12.913 -0.509 1.00 0.00 H ATOM 289 H ARG A 144 -9.756 13.137 6.293 1.00 0.00 H ATOM 290 N ILE A 145 -10.742 9.369 6.018 1.00 9.43 N ATOM 291 CA ILE A 145 -9.920 8.164 5.941 1.00 8.96 C ATOM 292 C ILE A 145 -10.718 7.180 5.113 1.00 7.82 C ATOM 293 O ILE A 145 -11.940 7.179 5.170 1.00 8.14 O ATOM 294 CB ILE A 145 -9.684 7.559 7.332 1.00 10.82 C ATOM 295 CG1 ILE A 145 -8.997 8.559 8.258 1.00 12.59 C ATOM 296 CG2 ILE A 145 -8.853 6.281 7.257 1.00 13.96 C ATOM 297 CD1 ILE A 145 -9.021 8.150 9.708 1.00 13.73 C ATOM 298 H ILE A 145 -11.763 9.256 6.182 1.00 0.00 H ATOM 299 N ALA A 146 -10.033 6.336 4.343 1.00 8.34 N ATOM 300 CA ALA A 146 -10.703 5.258 3.632 1.00 9.10 C ATOM 301 C ALA A 146 -9.904 3.970 3.619 1.00 8.04 C ATOM 302 O ALA A 146 -8.704 3.964 3.325 1.00 8.70 O ATOM 303 CB ALA A 146 -11.059 5.629 2.196 1.00 9.67 C ATOM 304 H ALA A 146 -9.004 6.449 4.249 1.00 0.00 H ATOM 305 N LEU A 147 -10.616 2.885 3.907 1.00 6.99 N ATOM 306 CA LEU A 147 -10.170 1.535 3.605 1.00 6.83 C ATOM 307 C LEU A 147 -11.026 1.018 2.466 1.00 8.31 C ATOM 308 O LEU A 147 -12.255 1.111 2.513 1.00 8.81 O ATOM 309 CB LEU A 147 -10.347 0.597 4.795 1.00 8.36 C ATOM 310 CG LEU A 147 -9.631 0.930 6.076 1.00 12.18 C ATOM 311 CD1 LEU A 147 -9.872 -0.130 7.123 1.00 13.22 C ATOM 312 CD2 LEU A 147 -8.187 1.166 5.862 1.00 14.44 C ATOM 313 H LEU A 147 -11.538 3.008 4.372 1.00 0.00 H ATOM 314 N ASP A 148 -10.372 0.484 1.439 1.00 7.08 N ATOM 315 CA ASP A 148 -11.059 -0.064 0.269 1.00 7.93 C ATOM 316 C ASP A 148 -10.613 -1.504 0.041 1.00 8.07 C ATOM 317 O ASP A 148 -9.518 -1.755 -0.487 1.00 8.53 O ATOM 318 CB ASP A 148 -10.770 0.777 -0.959 1.00 9.78 C ATOM 319 CG ASP A 148 -11.459 2.104 -0.909 1.00 10.60 C ATOM 320 OD1 ASP A 148 -12.675 2.119 -1.141 1.00 11.59 O ATOM 321 OD2 ASP A 148 -10.805 3.127 -0.613 1.00 13.12 O ATOM 322 H ASP A 148 -9.333 0.455 1.468 1.00 0.00 H ATOM 323 N PHE A 149 -11.468 -2.451 0.423 1.00 7.80 N ATOM 324 CA PHE A 149 -11.233 -3.860 0.131 1.00 7.28 C ATOM 325 C PHE A 149 -11.758 -4.118 -1.272 1.00 7.92 C ATOM 326 O PHE A 149 -12.970 -4.039 -1.493 1.00 8.40 O ATOM 327 CB PHE A 149 -11.937 -4.756 1.150 1.00 8.57 C ATOM 328 CG PHE A 149 -11.340 -4.701 2.522 1.00 8.70 C ATOM 329 CD1 PHE A 149 -11.716 -3.723 3.436 1.00 9.22 C ATOM 330 CD2 PHE A 149 -10.365 -5.617 2.893 1.00 11.28 C ATOM 331 CE1 PHE A 149 -11.164 -3.696 4.697 1.00 11.44 C ATOM 332 CE2 PHE A 149 -9.816 -5.585 4.161 1.00 12.25 C ATOM 333 CZ PHE A 149 -10.206 -4.603 5.056 1.00 12.68 C ATOM 334 H PHE A 149 -12.326 -2.178 0.943 1.00 0.00 H ATOM 335 N GLN A 150 -10.850 -4.414 -2.198 1.00 7.53 N ATOM 336 CA GLN A 150 -11.174 -4.439 -3.619 1.00 7.62 C ATOM 337 C GLN A 150 -11.106 -5.826 -4.233 1.00 7.57 C ATOM 338 O GLN A 150 -10.175 -6.606 -3.949 1.00 7.93 O ATOM 339 CB GLN A 150 -10.290 -3.517 -4.442 1.00 9.72 C ATOM 340 CG GLN A 150 -10.495 -2.099 -3.995 1.00 11.61 C ATOM 341 CD GLN A 150 -10.271 -0.996 -5.011 1.00 13.31 C ATOM 342 OE1 GLN A 150 -10.094 0.152 -4.588 1.00 15.66 O ATOM 343 NE2 GLN A 150 -10.266 -1.294 -6.307 1.00 14.14 N ATOM 344 HE22 GLN A 150 -10.420 -2.275 -6.616 1.00 0.00 H ATOM 345 HE21 GLN A 150 -10.109 -0.546 -7.012 1.00 0.00 H ATOM 346 H GLN A 150 -9.879 -4.634 -1.899 1.00 0.00 H ATOM 347 N ARG A 151 -12.113 -6.114 -5.079 1.00 6.75 N ATOM 348 CA ARG A 151 -12.115 -7.252 -6.001 1.00 7.36 C ATOM 349 C ARG A 151 -11.920 -6.661 -7.405 1.00 6.63 C ATOM 350 O ARG A 151 -12.877 -6.174 -8.006 1.00 7.26 O ATOM 351 CB ARG A 151 -13.438 -8.030 -5.898 1.00 8.43 C ATOM 352 CG ARG A 151 -13.568 -9.100 -6.958 1.00 9.87 C ATOM 353 CD ARG A 151 -14.771 -10.002 -6.738 1.00 11.45 C ATOM 354 NE ARG A 151 -14.852 -10.950 -7.835 1.00 12.91 N ATOM 355 CZ ARG A 151 -15.656 -10.839 -8.887 1.00 14.10 C ATOM 356 NH1 ARG A 151 -16.523 -9.846 -8.992 1.00 17.08 N ATOM 357 NH2 ARG A 151 -15.570 -11.737 -9.866 1.00 17.76 N ATOM 358 HE ARG A 151 -14.231 -11.783 -7.794 1.00 0.00 H ATOM 359 HH12 ARG A 151 -17.141 -9.782 -9.826 1.00 0.00 H ATOM 360 HH11 ARG A 151 -16.587 -9.130 -8.241 1.00 0.00 H ATOM 361 HH22 ARG A 151 -16.193 -11.663 -10.696 1.00 0.00 H ATOM 362 HH21 ARG A 151 -14.880 -12.512 -9.801 1.00 0.00 H ATOM 363 H ARG A 151 -12.943 -5.488 -5.078 1.00 0.00 H ATOM 364 N GLY A 152 -10.667 -6.586 -7.871 1.00 7.45 N ATOM 365 CA GLY A 152 -10.397 -5.821 -9.080 1.00 8.12 C ATOM 366 C GLY A 152 -10.783 -4.376 -8.863 1.00 7.56 C ATOM 367 O GLY A 152 -10.383 -3.747 -7.876 1.00 8.65 O ATOM 368 H GLY A 152 -9.893 -7.070 -7.373 1.00 0.00 H ATOM 369 N ASN A 153 -11.582 -3.821 -9.777 1.00 7.46 N ATOM 370 CA ASN A 153 -12.064 -2.462 -9.607 1.00 8.39 C ATOM 371 C ASN A 153 -13.263 -2.373 -8.683 1.00 7.50 C ATOM 372 O ASN A 153 -13.622 -1.267 -8.262 1.00 8.64 O ATOM 373 CB ASN A 153 -12.436 -1.858 -10.968 1.00 8.20 C ATOM 374 CG ASN A 153 -12.885 -0.413 -10.838 1.00 10.38 C ATOM 375 OD1 ASN A 153 -12.101 0.429 -10.418 1.00 10.69 O ATOM 376 ND2 ASN A 153 -14.137 -0.117 -11.209 1.00 10.47 N ATOM 377 HD22 ASN A 153 -14.766 -0.867 -11.560 1.00 0.00 H ATOM 378 HD21 ASN A 153 -14.480 0.863 -11.146 1.00 0.00 H ATOM 379 H ASN A 153 -11.861 -4.366 -10.617 1.00 0.00 H ATOM 380 N ASP A 154 -13.907 -3.479 -8.361 1.00 8.22 N ATOM 381 CA ASP A 154 -15.041 -3.383 -7.467 1.00 8.35 C ATOM 382 C ASP A 154 -14.544 -3.179 -6.053 1.00 7.60 C ATOM 383 O ASP A 154 -13.483 -3.686 -5.678 1.00 8.79 O ATOM 384 CB ASP A 154 -15.902 -4.629 -7.563 1.00 9.20 C ATOM 385 CG ASP A 154 -16.789 -4.624 -8.791 1.00 9.42 C ATOM 386 OD1 ASP A 154 -16.833 -3.596 -9.541 1.00 10.07 O ATOM 387 OD2 ASP A 154 -17.454 -5.653 -9.004 1.00 10.85 O ATOM 388 H ASP A 154 -13.606 -4.399 -8.741 1.00 0.00 H ATOM 389 N VAL A 155 -15.301 -2.414 -5.271 1.00 7.08 N ATOM 390 CA VAL A 155 -14.951 -2.213 -3.872 1.00 7.29 C ATOM 391 C VAL A 155 -15.947 -3.013 -3.062 1.00 7.33 C ATOM 392 O VAL A 155 -17.102 -2.635 -2.922 1.00 7.88 O ATOM 393 CB VAL A 155 -14.915 -0.739 -3.458 1.00 7.97 C ATOM 394 CG1 VAL A 155 -14.486 -0.650 -1.988 1.00 8.28 C ATOM 395 CG2 VAL A 155 -14.006 0.064 -4.367 1.00 9.48 C ATOM 396 H VAL A 155 -16.149 -1.956 -5.662 1.00 0.00 H ATOM 397 N ALA A 156 -15.495 -4.166 -2.572 1.00 6.79 N ATOM 398 CA ALA A 156 -16.370 -5.018 -1.769 1.00 7.90 C ATOM 399 C ALA A 156 -16.776 -4.319 -0.485 1.00 7.30 C ATOM 400 O ALA A 156 -17.936 -4.421 -0.056 1.00 7.45 O ATOM 401 CB ALA A 156 -15.660 -6.322 -1.424 1.00 8.24 C ATOM 402 H ALA A 156 -14.516 -4.461 -2.761 1.00 0.00 H ATOM 403 N PHE A 157 -15.834 -3.598 0.138 1.00 7.44 N ATOM 404 CA PHE A 157 -16.093 -2.946 1.421 1.00 7.43 C ATOM 405 C PHE A 157 -15.256 -1.682 1.459 1.00 6.78 C ATOM 406 O PHE A 157 -14.037 -1.750 1.519 1.00 7.29 O ATOM 407 CB PHE A 157 -15.757 -3.889 2.582 1.00 7.79 C ATOM 408 CG PHE A 157 -15.961 -3.314 3.969 1.00 8.14 C ATOM 409 CD1 PHE A 157 -17.036 -2.504 4.281 1.00 8.50 C ATOM 410 CD2 PHE A 157 -15.100 -3.672 4.977 1.00 8.86 C ATOM 411 CE1 PHE A 157 -17.216 -2.035 5.585 1.00 9.12 C ATOM 412 CE2 PHE A 157 -15.267 -3.193 6.264 1.00 9.31 C ATOM 413 CZ PHE A 157 -16.326 -2.394 6.562 1.00 9.03 C ATOM 414 H PHE A 157 -14.896 -3.500 -0.301 1.00 0.00 H ATOM 415 N HIS A 158 -15.949 -0.553 1.445 1.00 6.53 N ATOM 416 CA HIS A 158 -15.385 0.781 1.611 1.00 6.89 C ATOM 417 C HIS A 158 -15.784 1.236 2.999 1.00 7.68 C ATOM 418 O HIS A 158 -16.978 1.253 3.317 1.00 7.86 O ATOM 419 CB HIS A 158 -16.058 1.683 0.581 1.00 7.07 C ATOM 420 CG HIS A 158 -15.696 3.140 0.615 1.00 7.07 C ATOM 421 ND1 HIS A 158 -14.493 3.623 0.156 1.00 7.68 N ATOM 422 CD2 HIS A 158 -16.431 4.229 0.945 1.00 7.65 C ATOM 423 CE1 HIS A 158 -14.497 4.945 0.226 1.00 7.71 C ATOM 424 NE2 HIS A 158 -15.664 5.346 0.697 1.00 8.62 N ATOM 425 H HIS A 158 -16.977 -0.624 1.304 1.00 0.00 H ATOM 426 N PHE A 159 -14.788 1.525 3.830 1.00 6.81 N ATOM 427 CA PHE A 159 -14.969 1.965 5.209 1.00 6.98 C ATOM 428 C PHE A 159 -14.374 3.366 5.281 1.00 7.19 C ATOM 429 O PHE A 159 -13.170 3.533 5.115 1.00 7.31 O ATOM 430 CB PHE A 159 -14.246 0.982 6.142 1.00 6.87 C ATOM 431 CG PHE A 159 -14.192 1.419 7.600 1.00 7.35 C ATOM 432 CD1 PHE A 159 -15.213 1.089 8.448 1.00 7.83 C ATOM 433 CD2 PHE A 159 -13.122 2.119 8.085 1.00 7.96 C ATOM 434 CE1 PHE A 159 -15.154 1.462 9.779 1.00 7.83 C ATOM 435 CE2 PHE A 159 -13.062 2.513 9.398 1.00 7.79 C ATOM 436 CZ PHE A 159 -14.082 2.176 10.242 1.00 8.14 C ATOM 437 H PHE A 159 -13.815 1.431 3.474 1.00 0.00 H ATOM 438 N ASN A 160 -15.224 4.368 5.503 1.00 6.80 N ATOM 439 CA ASN A 160 -14.886 5.773 5.217 1.00 6.90 C ATOM 440 C ASN A 160 -15.291 6.706 6.351 1.00 6.79 C ATOM 441 O ASN A 160 -16.357 7.336 6.304 1.00 7.25 O ATOM 442 CB ASN A 160 -15.530 6.173 3.898 1.00 7.23 C ATOM 443 CG ASN A 160 -15.386 7.634 3.514 1.00 7.98 C ATOM 444 OD1 ASN A 160 -16.306 8.166 2.893 1.00 9.01 O ATOM 445 ND2 ASN A 160 -14.256 8.264 3.798 1.00 8.57 N ATOM 446 HD22 ASN A 160 -13.506 7.774 4.326 1.00 0.00 H ATOM 447 HD21 ASN A 160 -14.119 9.249 3.493 1.00 0.00 H ATOM 448 H ASN A 160 -16.163 4.150 5.893 1.00 0.00 H ATOM 449 N PRO A 161 -14.447 6.828 7.373 1.00 7.24 N ATOM 450 CA PRO A 161 -14.625 7.882 8.373 1.00 7.28 C ATOM 451 C PRO A 161 -14.524 9.259 7.746 1.00 7.49 C ATOM 452 O PRO A 161 -13.546 9.595 7.065 1.00 8.53 O ATOM 453 CB PRO A 161 -13.489 7.635 9.371 1.00 8.11 C ATOM 454 CG PRO A 161 -13.142 6.153 9.175 1.00 7.38 C ATOM 455 CD PRO A 161 -13.351 5.904 7.724 1.00 7.37 C ATOM 456 N ARG A 162 -15.540 10.063 8.027 1.00 7.25 N ATOM 457 CA ARG A 162 -15.620 11.462 7.599 1.00 8.30 C ATOM 458 C ARG A 162 -15.683 12.345 8.839 1.00 8.66 C ATOM 459 O ARG A 162 -16.576 12.189 9.679 1.00 8.68 O ATOM 460 CB ARG A 162 -16.861 11.675 6.746 1.00 8.55 C ATOM 461 CG ARG A 162 -16.855 10.866 5.493 1.00 8.91 C ATOM 462 CD ARG A 162 -18.052 11.141 4.627 1.00 8.58 C ATOM 463 NE ARG A 162 -18.054 10.237 3.484 1.00 8.20 N ATOM 464 CZ ARG A 162 -18.977 10.198 2.538 1.00 9.37 C ATOM 465 NH1 ARG A 162 -19.998 11.034 2.562 1.00 9.54 N ATOM 466 NH2 ARG A 162 -18.896 9.292 1.561 1.00 9.30 N ATOM 467 HE ARG A 162 -17.263 9.566 3.406 1.00 0.00 H ATOM 468 HH12 ARG A 162 -20.719 10.996 1.814 1.00 0.00 H ATOM 469 HH11 ARG A 162 -20.081 11.731 3.329 1.00 0.00 H ATOM 470 HH22 ARG A 162 -19.623 9.263 0.818 1.00 0.00 H ATOM 471 HH21 ARG A 162 -18.106 8.616 1.543 1.00 0.00 H ATOM 472 H ARG A 162 -16.328 9.677 8.585 1.00 0.00 H ATOM 473 N PHE A 163 -14.721 13.246 8.964 1.00 8.43 N ATOM 474 CA PHE A 163 -14.593 14.073 10.162 1.00 9.55 C ATOM 475 C PHE A 163 -15.417 15.346 10.101 1.00 11.29 C ATOM 476 O PHE A 163 -15.597 16.007 11.130 1.00 12.84 O ATOM 477 CB PHE A 163 -13.134 14.443 10.415 1.00 10.87 C ATOM 478 CG PHE A 163 -12.281 13.286 10.863 1.00 11.32 C ATOM 479 CD1 PHE A 163 -11.842 12.343 9.950 1.00 11.60 C ATOM 480 CD2 PHE A 163 -11.928 13.126 12.184 1.00 12.48 C ATOM 481 CE1 PHE A 163 -11.068 11.273 10.350 1.00 12.46 C ATOM 482 CE2 PHE A 163 -11.125 12.070 12.569 1.00 13.01 C ATOM 483 CZ PHE A 163 -10.729 11.137 11.662 1.00 12.90 C ATOM 484 H PHE A 163 -14.038 13.368 8.189 1.00 0.00 H ATOM 485 N ASN A 164 -15.920 15.704 8.929 1.00 11.61 N ATOM 486 CA ASN A 164 -16.692 16.928 8.809 1.00 14.59 C ATOM 487 C ASN A 164 -17.643 16.811 7.631 1.00 13.93 C ATOM 488 O ASN A 164 -17.375 17.337 6.547 1.00 18.33 O ATOM 489 CB ASN A 164 -15.796 18.147 8.633 1.00 20.94 C ATOM 490 CG ASN A 164 -16.588 19.430 8.610 1.00 25.75 C ATOM 491 OD1 ASN A 164 -17.815 19.426 8.775 1.00 25.69 O ATOM 492 ND2 ASN A 164 -15.896 20.539 8.419 1.00 28.90 N ATOM 493 HD22 ASN A 164 -14.866 20.492 8.285 1.00 0.00 H ATOM 494 HD21 ASN A 164 -16.381 21.459 8.403 1.00 0.00 H ATOM 495 H ASN A 164 -15.762 15.107 8.092 1.00 0.00 H ATOM 496 N GLU A 165 -18.738 16.107 7.828 1.00 11.57 N ATOM 497 CA GLU A 165 -19.810 16.055 6.859 1.00 11.64 C ATOM 498 C GLU A 165 -20.952 16.820 7.501 1.00 11.04 C ATOM 499 O GLU A 165 -21.554 16.352 8.476 1.00 11.49 O ATOM 500 CB GLU A 165 -20.208 14.615 6.576 1.00 11.77 C ATOM 501 CG GLU A 165 -21.289 14.525 5.520 1.00 13.44 C ATOM 502 CD GLU A 165 -21.895 13.144 5.394 1.00 14.16 C ATOM 503 OE1 GLU A 165 -22.736 12.778 6.244 1.00 14.55 O ATOM 504 OE2 GLU A 165 -21.534 12.409 4.443 1.00 16.13 O ATOM 505 H GLU A 165 -18.835 15.569 8.713 1.00 0.00 H ATOM 506 N ASN A 166 -21.212 18.022 7.002 1.00 11.86 N ATOM 507 CA ASN A 166 -22.222 18.886 7.603 1.00 13.99 C ATOM 508 C ASN A 166 -21.953 19.096 9.091 1.00 13.04 C ATOM 509 O ASN A 166 -22.859 19.081 9.931 1.00 12.88 O ATOM 510 CB ASN A 166 -23.617 18.338 7.364 1.00 16.62 C ATOM 511 CG ASN A 166 -24.677 19.320 7.749 1.00 20.57 C ATOM 512 OD1 ASN A 166 -24.467 20.531 7.671 1.00 20.97 O ATOM 513 ND2 ASN A 166 -25.816 18.815 8.183 1.00 23.16 N ATOM 514 HD22 ASN A 166 -25.943 17.784 8.230 1.00 0.00 H ATOM 515 HD21 ASN A 166 -26.586 19.448 8.478 1.00 0.00 H ATOM 516 H ASN A 166 -20.687 18.354 6.168 1.00 0.00 H ATOM 517 N ASN A 167 -20.691 19.316 9.415 1.00 11.79 N ATOM 518 CA ASN A 167 -20.272 19.675 10.766 1.00 13.34 C ATOM 519 C ASN A 167 -20.528 18.575 11.777 1.00 13.69 C ATOM 520 O ASN A 167 -20.699 18.824 12.976 1.00 14.52 O ATOM 521 CB ASN A 167 -20.863 21.005 11.223 1.00 14.25 C ATOM 522 CG ASN A 167 -20.366 22.140 10.395 1.00 15.42 C ATOM 523 OD1 ASN A 167 -21.130 22.823 9.704 1.00 17.28 O ATOM 524 ND2 ASN A 167 -19.061 22.326 10.412 1.00 18.33 N ATOM 525 HD22 ASN A 167 -18.458 21.726 11.010 1.00 0.00 H ATOM 526 HD21 ASN A 167 -18.635 23.073 9.827 1.00 0.00 H ATOM 527 H ASN A 167 -19.965 19.230 8.675 1.00 0.00 H ATOM 528 N ARG A 168 -20.492 17.342 11.318 1.00 13.22 N ATOM 529 CA ARG A 168 -20.468 16.244 12.254 1.00 12.74 C ATOM 530 C ARG A 168 -19.638 15.120 11.666 1.00 10.31 C ATOM 531 O ARG A 168 -19.228 15.149 10.500 1.00 11.82 O ATOM 532 CB ARG A 168 -21.871 15.825 12.616 1.00 15.80 C ATOM 533 CG ARG A 168 -22.608 15.310 11.446 1.00 15.70 C ATOM 534 CD ARG A 168 -24.119 15.595 11.514 1.00 17.67 C ATOM 535 NE ARG A 168 -24.474 17.009 11.551 1.00 20.22 N ATOM 536 CZ ARG A 168 -25.710 17.446 11.791 1.00 20.37 C ATOM 537 NH1 ARG A 168 -26.685 16.560 11.997 1.00 20.43 N ATOM 538 NH2 ARG A 168 -25.979 18.750 11.827 1.00 24.49 N ATOM 539 HE ARG A 168 -23.726 17.711 11.382 1.00 0.00 H ATOM 540 HH12 ARG A 168 -27.654 16.887 12.185 1.00 0.00 H ATOM 541 HH11 ARG A 168 -26.476 15.541 11.969 1.00 0.00 H ATOM 542 HH22 ARG A 168 -26.948 19.076 12.015 1.00 0.00 H ATOM 543 HH21 ARG A 168 -25.220 19.442 11.667 1.00 0.00 H ATOM 544 H ARG A 168 -20.481 17.161 10.294 1.00 0.00 H ATOM 545 N ARG A 169 -19.421 14.113 12.487 1.00 8.90 N ATOM 546 CA ARG A 169 -18.546 13.011 12.142 1.00 8.98 C ATOM 547 C ARG A 169 -19.395 11.771 11.908 1.00 8.64 C ATOM 548 O ARG A 169 -20.372 11.537 12.613 1.00 9.38 O ATOM 549 CB ARG A 169 -17.527 12.796 13.256 1.00 10.10 C ATOM 550 CG ARG A 169 -16.849 14.092 13.631 1.00 11.12 C ATOM 551 CD ARG A 169 -15.577 13.948 14.428 1.00 12.30 C ATOM 552 NE ARG A 169 -15.867 13.318 15.697 1.00 13.06 N ATOM 553 CZ ARG A 169 -14.959 12.848 16.537 1.00 16.02 C ATOM 554 NH1 ARG A 169 -13.676 12.972 16.250 1.00 18.41 N ATOM 555 NH2 ARG A 169 -15.335 12.233 17.642 1.00 16.65 N ATOM 556 HE ARG A 169 -16.866 13.227 15.971 1.00 0.00 H ATOM 557 HH12 ARG A 169 -12.958 12.604 16.907 1.00 0.00 H ATOM 558 HH11 ARG A 169 -13.383 13.437 15.367 1.00 0.00 H ATOM 559 HH22 ARG A 169 -14.620 11.864 18.301 1.00 0.00 H ATOM 560 HH21 ARG A 169 -16.347 12.117 17.854 1.00 0.00 H ATOM 561 H ARG A 169 -19.893 14.109 13.414 1.00 0.00 H ATOM 562 N VAL A 170 -19.047 11.001 10.886 1.00 8.32 N ATOM 563 CA VAL A 170 -19.820 9.824 10.531 1.00 8.51 C ATOM 564 C VAL A 170 -18.900 8.825 9.857 1.00 7.85 C ATOM 565 O VAL A 170 -17.947 9.195 9.177 1.00 9.44 O ATOM 566 CB VAL A 170 -20.994 10.233 9.614 1.00 9.02 C ATOM 567 CG1 VAL A 170 -20.494 10.854 8.301 1.00 10.12 C ATOM 568 CG2 VAL A 170 -21.941 9.061 9.387 1.00 11.45 C ATOM 569 H VAL A 170 -18.204 11.245 10.328 1.00 0.00 H ATOM 570 N ILE A 171 -19.223 7.550 10.027 1.00 7.72 N ATOM 571 CA ILE A 171 -18.574 6.474 9.296 1.00 8.43 C ATOM 572 C ILE A 171 -19.506 6.064 8.171 1.00 7.33 C ATOM 573 O ILE A 171 -20.612 5.610 8.425 1.00 8.04 O ATOM 574 CB ILE A 171 -18.297 5.248 10.189 1.00 11.69 C ATOM 575 CG1 ILE A 171 -17.695 5.587 11.564 1.00 15.59 C ATOM 576 CG2 ILE A 171 -17.459 4.230 9.370 1.00 12.75 C ATOM 577 CD1 ILE A 171 -16.283 5.905 11.507 1.00 15.41 C ATOM 578 H ILE A 171 -19.970 7.311 10.710 1.00 0.00 H ATOM 579 N VAL A 172 -19.066 6.189 6.924 1.00 7.13 N ATOM 580 CA VAL A 172 -19.809 5.723 5.751 1.00 7.45 C ATOM 581 C VAL A 172 -19.203 4.433 5.232 1.00 7.51 C ATOM 582 O VAL A 172 -17.997 4.351 5.016 1.00 8.20 O ATOM 583 CB VAL A 172 -19.788 6.782 4.640 1.00 9.17 C ATOM 584 CG1 VAL A 172 -20.524 6.264 3.409 1.00 11.68 C ATOM 585 CG2 VAL A 172 -20.387 8.079 5.169 1.00 9.52 C ATOM 586 H VAL A 172 -18.143 6.643 6.772 1.00 0.00 H ATOM 587 N CYS A 173 -20.049 3.422 5.070 1.00 7.26 N ATOM 588 CA CYS A 173 -19.660 2.166 4.446 1.00 6.68 C ATOM 589 C CYS A 173 -20.486 1.904 3.193 1.00 7.25 C ATOM 590 O CYS A 173 -21.675 2.229 3.146 1.00 7.85 O ATOM 591 CB CYS A 173 -19.849 0.985 5.411 1.00 7.92 C ATOM 592 SG CYS A 173 -18.736 1.098 6.862 1.00 9.21 S ATOM 593 H CYS A 173 -21.028 3.532 5.402 1.00 0.00 H ATOM 594 N ASN A 174 -19.850 1.305 2.181 1.00 6.87 N ATOM 595 CA ASN A 174 -20.556 1.025 0.939 1.00 7.06 C ATOM 596 C ASN A 174 -19.752 0.025 0.121 1.00 6.90 C ATOM 597 O ASN A 174 -18.651 -0.385 0.508 1.00 7.25 O ATOM 598 CB ASN A 174 -20.796 2.340 0.174 1.00 7.42 C ATOM 599 CG ASN A 174 -21.999 2.314 -0.747 1.00 8.19 C ATOM 600 OD1 ASN A 174 -22.597 1.266 -1.020 1.00 7.93 O ATOM 601 ND2 ASN A 174 -22.342 3.482 -1.260 1.00 9.07 N ATOM 602 HD22 ASN A 174 -21.811 4.339 -1.003 1.00 0.00 H ATOM 603 HD21 ASN A 174 -23.143 3.545 -1.921 1.00 0.00 H ATOM 604 H ASN A 174 -18.850 1.039 2.281 1.00 0.00 H ATOM 605 N THR A 175 -20.339 -0.340 -1.015 1.00 6.55 N ATOM 606 CA THR A 175 -19.761 -1.212 -2.006 1.00 7.44 C ATOM 607 C THR A 175 -19.879 -0.514 -3.348 1.00 7.43 C ATOM 608 O THR A 175 -20.871 0.165 -3.623 1.00 7.68 O ATOM 609 CB THR A 175 -20.570 -2.533 -2.009 1.00 8.01 C ATOM 610 OG1 THR A 175 -20.381 -3.218 -0.763 1.00 7.73 O ATOM 611 CG2 THR A 175 -20.198 -3.445 -3.178 1.00 8.36 C ATOM 612 HG1 THR A 175 -20.694 -2.643 -0.021 1.00 0.00 H ATOM 613 H THR A 175 -21.291 0.034 -1.203 1.00 0.00 H ATOM 614 N LYS A 176 -18.871 -0.706 -4.181 1.00 7.55 N ATOM 615 CA LYS A 176 -18.852 -0.151 -5.532 1.00 7.88 C ATOM 616 C LYS A 176 -18.794 -1.306 -6.510 1.00 8.68 C ATOM 617 O LYS A 176 -17.881 -2.123 -6.450 1.00 10.16 O ATOM 618 CB LYS A 176 -17.637 0.762 -5.716 1.00 9.09 C ATOM 619 CG LYS A 176 -17.745 1.772 -6.849 1.00 10.52 C ATOM 620 CD LYS A 176 -16.388 2.478 -7.012 1.00 13.98 C ATOM 621 CE LYS A 176 -16.438 3.801 -7.731 1.00 16.94 C ATOM 622 NZ LYS A 176 -15.034 4.302 -7.969 1.00 19.24 N ATOM 623 HZ1 LYS A 176 -14.551 4.422 -7.056 1.00 0.00 H ATOM 624 HZ2 LYS A 176 -14.515 3.612 -8.549 1.00 0.00 H ATOM 625 HZ3 LYS A 176 -15.073 5.215 -8.465 1.00 0.00 H ATOM 626 H LYS A 176 -18.060 -1.274 -3.862 1.00 0.00 H ATOM 627 N LEU A 177 -19.757 -1.356 -7.411 1.00 9.07 N ATOM 628 CA LEU A 177 -19.872 -2.409 -8.414 1.00 8.87 C ATOM 629 C LEU A 177 -19.949 -1.762 -9.783 1.00 10.25 C ATOM 630 O LEU A 177 -20.791 -0.895 -10.017 1.00 10.88 O ATOM 631 CB LEU A 177 -21.120 -3.271 -8.189 1.00 10.37 C ATOM 632 CG LEU A 177 -21.211 -3.986 -6.844 1.00 11.62 C ATOM 633 CD1 LEU A 177 -22.525 -4.698 -6.706 1.00 14.05 C ATOM 634 CD2 LEU A 177 -20.079 -4.956 -6.683 1.00 12.31 C ATOM 635 H LEU A 177 -20.474 -0.603 -7.406 1.00 0.00 H ATOM 636 N ASP A 178 -19.076 -2.187 -10.689 1.00 11.32 N ATOM 637 CA ASP A 178 -19.058 -1.638 -12.042 1.00 12.78 C ATOM 638 C ASP A 178 -18.956 -0.117 -11.995 1.00 13.36 C ATOM 639 O ASP A 178 -19.539 0.602 -12.803 1.00 15.19 O ATOM 640 CB ASP A 178 -20.256 -2.107 -12.862 1.00 14.60 C ATOM 641 CG ASP A 178 -20.169 -3.566 -13.249 1.00 17.11 C ATOM 642 OD1 ASP A 178 -19.070 -4.152 -13.171 1.00 16.68 O ATOM 643 OD2 ASP A 178 -21.208 -4.121 -13.685 1.00 22.09 O ATOM 644 H ASP A 178 -18.391 -2.926 -10.430 1.00 0.00 H ATOM 645 N ASN A 179 -18.170 0.370 -11.045 1.00 12.74 N ATOM 646 CA ASN A 179 -17.870 1.780 -10.843 1.00 14.75 C ATOM 647 C ASN A 179 -19.038 2.597 -10.304 1.00 14.68 C ATOM 648 O ASN A 179 -18.958 3.819 -10.291 1.00 18.27 O ATOM 649 CB ASN A 179 -17.270 2.448 -12.075 1.00 15.30 C ATOM 650 CG ASN A 179 -15.993 3.181 -11.763 1.00 16.47 C ATOM 651 OD1 ASN A 179 -15.194 2.745 -10.933 1.00 16.35 O ATOM 652 ND2 ASN A 179 -15.772 4.288 -12.449 1.00 17.41 N ATOM 653 HD22 ASN A 179 -16.474 4.620 -13.140 1.00 0.00 H ATOM 654 HD21 ASN A 179 -14.896 4.827 -12.298 1.00 0.00 H ATOM 655 H ASN A 179 -17.732 -0.310 -10.391 1.00 0.00 H ATOM 656 N ASN A 180 -20.093 1.955 -9.814 1.00 12.37 N ATOM 657 CA ASN A 180 -21.250 2.636 -9.229 1.00 12.58 C ATOM 658 C ASN A 180 -21.366 2.311 -7.747 1.00 10.70 C ATOM 659 O ASN A 180 -21.353 1.140 -7.368 1.00 10.52 O ATOM 660 CB ASN A 180 -22.532 2.152 -9.898 1.00 17.43 C ATOM 661 CG ASN A 180 -22.611 2.533 -11.357 1.00 24.38 C ATOM 662 OD1 ASN A 180 -22.422 3.695 -11.726 1.00 26.68 O ATOM 663 ND2 ASN A 180 -22.902 1.555 -12.199 1.00 27.16 N ATOM 664 HD22 ASN A 180 -23.053 0.590 -11.843 1.00 0.00 H ATOM 665 HD21 ASN A 180 -22.979 1.751 -13.217 1.00 0.00 H ATOM 666 H ASN A 180 -20.097 0.916 -9.848 1.00 0.00 H ATOM 667 N TRP A 181 -21.439 3.341 -6.905 1.00 10.32 N ATOM 668 CA TRP A 181 -21.649 3.142 -5.480 1.00 9.23 C ATOM 669 C TRP A 181 -23.072 2.667 -5.228 1.00 10.11 C ATOM 670 O TRP A 181 -24.014 3.110 -5.888 1.00 11.77 O ATOM 671 CB TRP A 181 -21.360 4.439 -4.703 1.00 10.88 C ATOM 672 CG TRP A 181 -19.932 4.773 -4.645 1.00 9.63 C ATOM 673 CD1 TRP A 181 -19.288 5.768 -5.308 1.00 10.47 C ATOM 674 CD2 TRP A 181 -18.929 4.082 -3.892 1.00 8.60 C ATOM 675 NE1 TRP A 181 -17.961 5.754 -4.999 1.00 10.75 N ATOM 676 CE2 TRP A 181 -17.708 4.724 -4.137 1.00 10.79 C ATOM 677 CE3 TRP A 181 -18.961 2.977 -3.018 1.00 8.61 C ATOM 678 CZ2 TRP A 181 -16.513 4.300 -3.576 1.00 10.12 C ATOM 679 CZ3 TRP A 181 -17.759 2.555 -2.449 1.00 9.42 C ATOM 680 CH2 TRP A 181 -16.562 3.221 -2.721 1.00 9.04 C ATOM 681 HE1 TRP A 181 -17.252 6.422 -5.362 1.00 0.00 H ATOM 682 H TRP A 181 -21.344 4.308 -7.275 1.00 0.00 H ATOM 683 N GLY A 182 -23.227 1.777 -4.246 1.00 10.24 N ATOM 684 CA GLY A 182 -24.521 1.255 -3.854 1.00 10.32 C ATOM 685 C GLY A 182 -25.128 2.053 -2.724 1.00 10.82 C ATOM 686 O GLY A 182 -24.866 3.246 -2.565 1.00 10.85 O ATOM 687 H GLY A 182 -22.382 1.443 -3.740 1.00 0.00 H ATOM 688 N ARG A 183 -25.972 1.399 -1.940 1.00 11.39 N ATOM 689 CA ARG A 183 -26.624 2.052 -0.805 1.00 11.41 C ATOM 690 C ARG A 183 -25.691 2.129 0.395 1.00 10.45 C ATOM 691 O ARG A 183 -25.119 1.134 0.824 1.00 10.38 O ATOM 692 CB ARG A 183 -27.853 1.247 -0.427 1.00 14.17 C ATOM 693 CG ARG A 183 -28.980 1.300 -1.457 1.00 16.14 C ATOM 694 CD ARG A 183 -30.144 0.477 -0.968 1.00 17.14 C ATOM 695 NE ARG A 183 -31.253 0.388 -1.889 1.00 19.43 N ATOM 696 CZ ARG A 183 -32.175 1.336 -2.052 1.00 20.80 C ATOM 697 NH1 ARG A 183 -32.067 2.498 -1.387 1.00 19.78 N ATOM 698 NH2 ARG A 183 -33.172 1.142 -2.906 1.00 23.51 N ATOM 699 HE ARG A 183 -31.338 -0.474 -2.464 1.00 0.00 H ATOM 700 HH12 ARG A 183 -32.786 3.238 -1.514 1.00 0.00 H ATOM 701 HH11 ARG A 183 -31.264 2.657 -0.745 1.00 0.00 H ATOM 702 HH22 ARG A 183 -33.895 1.878 -3.038 1.00 0.00 H ATOM 703 HH21 ARG A 183 -33.231 0.254 -3.444 1.00 0.00 H ATOM 704 H ARG A 183 -26.176 0.398 -2.136 1.00 0.00 H ATOM 705 N GLU A 184 -25.541 3.314 0.948 1.00 9.95 N ATOM 706 CA GLU A 184 -24.653 3.527 2.094 1.00 8.57 C ATOM 707 C GLU A 184 -25.249 2.945 3.365 1.00 8.46 C ATOM 708 O GLU A 184 -26.459 2.961 3.588 1.00 10.23 O ATOM 709 CB GLU A 184 -24.402 5.027 2.298 1.00 9.79 C ATOM 710 CG GLU A 184 -23.558 5.621 1.187 1.00 9.56 C ATOM 711 CD GLU A 184 -23.264 7.091 1.340 1.00 10.27 C ATOM 712 OE1 GLU A 184 -23.922 7.752 2.168 1.00 12.17 O ATOM 713 OE2 GLU A 184 -22.382 7.592 0.606 1.00 10.00 O ATOM 714 H GLU A 184 -26.068 4.122 0.560 1.00 0.00 H ATOM 715 N GLU A 185 -24.359 2.495 4.229 1.00 8.10 N ATOM 716 CA GLU A 185 -24.672 2.175 5.617 1.00 8.01 C ATOM 717 C GLU A 185 -23.840 3.105 6.480 1.00 8.53 C ATOM 718 O GLU A 185 -22.618 3.111 6.352 1.00 9.82 O ATOM 719 CB GLU A 185 -24.349 0.712 5.925 1.00 9.17 C ATOM 720 CG GLU A 185 -25.134 -0.251 5.059 1.00 9.75 C ATOM 721 CD GLU A 185 -24.824 -1.725 5.325 1.00 10.33 C ATOM 722 OE1 GLU A 185 -24.612 -2.120 6.497 1.00 12.44 O ATOM 723 OE2 GLU A 185 -24.811 -2.511 4.362 1.00 11.68 O ATOM 724 H GLU A 185 -23.381 2.361 3.902 1.00 0.00 H ATOM 725 N ARG A 186 -24.485 3.893 7.334 1.00 8.58 N ATOM 726 CA ARG A 186 -23.831 4.937 8.108 1.00 8.96 C ATOM 727 C ARG A 186 -23.901 4.642 9.599 1.00 9.81 C ATOM 728 O ARG A 186 -24.876 4.074 10.085 1.00 11.30 O ATOM 729 CB ARG A 186 -24.466 6.303 7.805 1.00 10.18 C ATOM 730 CG ARG A 186 -24.104 6.799 6.458 1.00 10.33 C ATOM 731 CD ARG A 186 -25.092 7.784 5.921 1.00 13.57 C ATOM 732 NE ARG A 186 -24.484 8.500 4.811 1.00 13.20 N ATOM 733 CZ ARG A 186 -23.839 9.656 4.907 1.00 11.59 C ATOM 734 NH1 ARG A 186 -23.748 10.309 6.056 1.00 12.62 N ATOM 735 NH2 ARG A 186 -23.278 10.183 3.845 1.00 11.16 N ATOM 736 HE ARG A 186 -24.561 8.072 3.866 1.00 0.00 H ATOM 737 HH12 ARG A 186 -23.236 11.213 6.101 1.00 0.00 H ATOM 738 HH11 ARG A 186 -24.189 9.918 6.913 1.00 0.00 H ATOM 739 HH22 ARG A 186 -22.772 11.089 3.919 1.00 0.00 H ATOM 740 HH21 ARG A 186 -23.339 9.695 2.929 1.00 0.00 H ATOM 741 H ARG A 186 -25.509 3.756 7.455 1.00 0.00 H ATOM 742 N GLN A 187 -22.838 5.016 10.300 1.00 9.90 N ATOM 743 CA GLN A 187 -22.696 4.814 11.742 1.00 10.51 C ATOM 744 C GLN A 187 -22.171 6.120 12.334 1.00 10.82 C ATOM 745 O GLN A 187 -21.125 6.610 11.913 1.00 11.14 O ATOM 746 CB GLN A 187 -21.707 3.659 12.003 1.00 11.61 C ATOM 747 CG GLN A 187 -21.286 3.373 13.444 1.00 14.38 C ATOM 748 CD GLN A 187 -22.467 3.129 14.330 1.00 20.12 C ATOM 749 OE1 GLN A 187 -22.995 4.039 14.931 1.00 17.34 O ATOM 750 NE2 GLN A 187 -22.915 1.889 14.389 1.00 27.09 N ATOM 751 HE22 GLN A 187 -22.433 1.136 13.858 1.00 0.00 H ATOM 752 HE21 GLN A 187 -23.750 1.665 14.967 1.00 0.00 H ATOM 753 H GLN A 187 -22.058 5.481 9.793 1.00 0.00 H ATOM 754 N SER A 188 -22.898 6.665 13.311 1.00 11.44 N ATOM 755 CA SER A 188 -22.498 7.898 13.974 1.00 11.99 C ATOM 756 C SER A 188 -21.535 7.674 15.130 1.00 11.19 C ATOM 757 O SER A 188 -20.903 8.638 15.576 1.00 10.83 O ATOM 758 CB SER A 188 -23.728 8.664 14.478 1.00 13.26 C ATOM 759 OG SER A 188 -24.492 7.883 15.376 1.00 13.99 O ATOM 760 HG SER A 188 -24.800 7.061 14.917 1.00 0.00 H ATOM 761 H SER A 188 -23.777 6.195 13.608 1.00 0.00 H ATOM 762 N VAL A 189 -21.406 6.446 15.635 1.00 10.60 N ATOM 763 CA VAL A 189 -20.372 6.174 16.626 1.00 10.45 C ATOM 764 C VAL A 189 -19.039 6.315 15.927 1.00 10.19 C ATOM 765 O VAL A 189 -18.799 5.715 14.874 1.00 10.40 O ATOM 766 CB VAL A 189 -20.536 4.781 17.249 1.00 12.16 C ATOM 767 CG1 VAL A 189 -19.341 4.463 18.168 1.00 13.55 C ATOM 768 CG2 VAL A 189 -21.823 4.728 18.013 1.00 14.26 C ATOM 769 H VAL A 189 -22.042 5.684 15.322 1.00 0.00 H ATOM 770 N PHE A 190 -18.170 7.156 16.473 1.00 10.31 N ATOM 771 CA PHE A 190 -17.016 7.643 15.731 1.00 9.73 C ATOM 772 C PHE A 190 -15.822 7.602 16.656 1.00 10.65 C ATOM 773 O PHE A 190 -15.604 8.531 17.437 1.00 13.57 O ATOM 774 CB PHE A 190 -17.266 9.037 15.180 1.00 9.69 C ATOM 775 CG PHE A 190 -16.277 9.461 14.144 1.00 9.42 C ATOM 776 CD1 PHE A 190 -15.092 10.069 14.513 1.00 10.00 C ATOM 777 CD2 PHE A 190 -16.536 9.287 12.789 1.00 8.69 C ATOM 778 CE1 PHE A 190 -14.196 10.483 13.553 1.00 9.86 C ATOM 779 CE2 PHE A 190 -15.626 9.704 11.828 1.00 8.84 C ATOM 780 CZ PHE A 190 -14.465 10.302 12.210 1.00 9.52 C ATOM 781 H PHE A 190 -18.316 7.474 17.452 1.00 0.00 H ATOM 782 N PRO A 191 -15.038 6.532 16.606 1.00 10.39 N ATOM 783 CA PRO A 191 -13.994 6.324 17.611 1.00 11.58 C ATOM 784 C PRO A 191 -12.668 7.003 17.327 1.00 13.54 C ATOM 785 O PRO A 191 -11.762 6.880 18.163 1.00 17.21 O ATOM 786 CB PRO A 191 -13.820 4.796 17.614 1.00 13.73 C ATOM 787 CG PRO A 191 -14.211 4.380 16.244 1.00 14.44 C ATOM 788 CD PRO A 191 -15.306 5.311 15.822 1.00 11.28 C ATOM 789 N PHE A 192 -12.532 7.711 16.209 1.00 10.84 N ATOM 790 CA PHE A 192 -11.281 8.331 15.813 1.00 9.83 C ATOM 791 C PHE A 192 -11.199 9.750 16.345 1.00 10.58 C ATOM 792 O PHE A 192 -12.218 10.417 16.524 1.00 12.33 O ATOM 793 CB PHE A 192 -11.172 8.365 14.291 1.00 9.49 C ATOM 794 CG PHE A 192 -11.257 7.012 13.666 1.00 8.17 C ATOM 795 CD1 PHE A 192 -10.146 6.197 13.590 1.00 9.06 C ATOM 796 CD2 PHE A 192 -12.453 6.548 13.176 1.00 7.85 C ATOM 797 CE1 PHE A 192 -10.229 4.937 13.017 1.00 9.12 C ATOM 798 CE2 PHE A 192 -12.550 5.291 12.614 1.00 8.95 C ATOM 799 CZ PHE A 192 -11.451 4.493 12.550 1.00 9.30 C ATOM 800 H PHE A 192 -13.360 7.825 15.590 1.00 0.00 H ATOM 801 N GLU A 193 -9.980 10.225 16.529 1.00 10.55 N ATOM 802 CA GLU A 193 -9.766 11.597 16.971 1.00 11.26 C ATOM 803 C GLU A 193 -8.533 12.141 16.262 1.00 11.91 C ATOM 804 O GLU A 193 -7.504 11.464 16.164 1.00 11.92 O ATOM 805 CB GLU A 193 -9.582 11.696 18.497 1.00 12.38 C ATOM 806 CG GLU A 193 -10.781 11.210 19.321 1.00 14.26 C ATOM 807 CD GLU A 193 -11.980 12.129 19.258 1.00 13.27 C ATOM 808 OE1 GLU A 193 -11.808 13.344 19.023 1.00 14.45 O ATOM 809 OE2 GLU A 193 -13.104 11.628 19.445 1.00 13.79 O ATOM 810 H GLU A 193 -9.160 9.610 16.356 1.00 0.00 H ATOM 811 N SER A 194 -8.625 13.383 15.784 1.00 13.87 N ATOM 812 CA SER A 194 -7.480 14.020 15.157 1.00 15.74 C ATOM 813 C SER A 194 -6.274 13.995 16.091 1.00 13.30 C ATOM 814 O SER A 194 -6.386 14.274 17.287 1.00 15.17 O ATOM 815 CB SER A 194 -7.831 15.456 14.758 1.00 21.49 C ATOM 816 OG SER A 194 -8.541 15.455 13.538 1.00 28.31 O ATOM 817 HG SER A 194 -8.764 16.386 13.287 1.00 0.00 H ATOM 818 H SER A 194 -9.524 13.900 15.861 1.00 0.00 H ATOM 819 N GLY A 195 -5.125 13.612 15.553 1.00 11.88 N ATOM 820 CA GLY A 195 -3.908 13.538 16.325 1.00 13.09 C ATOM 821 C GLY A 195 -3.672 12.254 17.089 1.00 10.25 C ATOM 822 O GLY A 195 -2.562 12.077 17.625 1.00 12.73 O ATOM 823 H GLY A 195 -5.100 13.357 14.545 1.00 0.00 H ATOM 824 N LYS A 196 -4.642 11.362 17.153 1.00 9.43 N ATOM 825 CA LYS A 196 -4.491 10.187 18.012 1.00 9.30 C ATOM 826 C LYS A 196 -4.203 8.906 17.239 1.00 9.18 C ATOM 827 O LYS A 196 -4.694 8.696 16.121 1.00 9.56 O ATOM 828 CB LYS A 196 -5.739 9.913 18.845 1.00 9.95 C ATOM 829 CG LYS A 196 -6.085 10.948 19.856 1.00 9.81 C ATOM 830 CD LYS A 196 -7.006 10.393 20.942 1.00 9.33 C ATOM 831 CE LYS A 196 -7.663 11.508 21.687 1.00 10.15 C ATOM 832 NZ LYS A 196 -8.395 11.019 22.857 1.00 10.09 N ATOM 833 HZ1 LYS A 196 -9.131 10.351 22.550 1.00 0.00 H ATOM 834 HZ2 LYS A 196 -7.735 10.538 23.501 1.00 0.00 H ATOM 835 HZ3 LYS A 196 -8.837 11.822 23.348 1.00 0.00 H ATOM 836 H LYS A 196 -5.510 11.493 16.595 1.00 0.00 H ATOM 837 N PRO A 197 -3.426 8.023 17.850 1.00 9.15 N ATOM 838 CA PRO A 197 -3.172 6.716 17.253 1.00 9.65 C ATOM 839 C PRO A 197 -4.399 5.825 17.359 1.00 9.32 C ATOM 840 O PRO A 197 -5.108 5.819 18.373 1.00 10.24 O ATOM 841 CB PRO A 197 -2.024 6.174 18.108 1.00 9.84 C ATOM 842 CG PRO A 197 -2.192 6.821 19.416 1.00 11.80 C ATOM 843 CD PRO A 197 -2.744 8.184 19.142 1.00 10.43 C ATOM 844 N PHE A 198 -4.633 5.060 16.303 1.00 8.58 N ATOM 845 CA PHE A 198 -5.754 4.151 16.213 1.00 8.40 C ATOM 846 C PHE A 198 -5.303 2.776 15.740 1.00 7.83 C ATOM 847 O PHE A 198 -4.245 2.600 15.154 1.00 7.88 O ATOM 848 CB PHE A 198 -6.823 4.682 15.223 1.00 9.54 C ATOM 849 CG PHE A 198 -6.341 4.776 13.814 1.00 9.65 C ATOM 850 CD1 PHE A 198 -6.300 3.661 12.980 1.00 9.43 C ATOM 851 CD2 PHE A 198 -5.886 5.969 13.328 1.00 12.58 C ATOM 852 CE1 PHE A 198 -5.841 3.772 11.687 1.00 10.22 C ATOM 853 CE2 PHE A 198 -5.441 6.074 12.028 1.00 13.04 C ATOM 854 CZ PHE A 198 -5.378 4.975 11.225 1.00 12.33 C ATOM 855 H PHE A 198 -3.977 5.116 15.498 1.00 0.00 H ATOM 856 N LYS A 199 -6.172 1.811 16.002 1.00 7.47 N ATOM 857 CA LYS A 199 -6.066 0.454 15.475 1.00 7.83 C ATOM 858 C LYS A 199 -7.431 0.107 14.908 1.00 8.06 C ATOM 859 O LYS A 199 -8.421 0.085 15.638 1.00 9.46 O ATOM 860 CB LYS A 199 -5.708 -0.527 16.600 1.00 8.61 C ATOM 861 CG LYS A 199 -5.717 -1.972 16.178 1.00 10.25 C ATOM 862 CD LYS A 199 -5.159 -2.909 17.236 1.00 11.15 C ATOM 863 CE LYS A 199 -6.099 -3.043 18.411 1.00 12.58 C ATOM 864 NZ LYS A 199 -5.489 -3.844 19.490 1.00 17.82 N ATOM 865 HZ1 LYS A 199 -5.266 -4.794 19.131 1.00 0.00 H ATOM 866 HZ2 LYS A 199 -4.616 -3.381 19.813 1.00 0.00 H ATOM 867 HZ3 LYS A 199 -6.157 -3.920 20.284 1.00 0.00 H ATOM 868 H LYS A 199 -6.978 2.034 16.620 1.00 0.00 H ATOM 869 N ILE A 200 -7.497 -0.156 13.607 1.00 7.49 N ATOM 870 CA ILE A 200 -8.714 -0.664 12.974 1.00 7.05 C ATOM 871 C ILE A 200 -8.484 -2.136 12.751 1.00 7.93 C ATOM 872 O ILE A 200 -7.502 -2.517 12.109 1.00 8.67 O ATOM 873 CB ILE A 200 -9.013 -0.003 11.619 1.00 8.00 C ATOM 874 CG1 ILE A 200 -9.181 1.510 11.786 1.00 8.38 C ATOM 875 CG2 ILE A 200 -10.275 -0.617 11.034 1.00 9.47 C ATOM 876 CD1 ILE A 200 -9.091 2.277 10.470 1.00 10.38 C ATOM 877 H ILE A 200 -6.655 0.005 13.019 1.00 0.00 H ATOM 878 N GLN A 201 -9.387 -2.953 13.258 1.00 8.27 N ATOM 879 CA GLN A 201 -9.327 -4.381 13.005 1.00 7.79 C ATOM 880 C GLN A 201 -10.577 -4.788 12.249 1.00 7.87 C ATOM 881 O GLN A 201 -11.701 -4.547 12.699 1.00 9.94 O ATOM 882 CB GLN A 201 -9.154 -5.168 14.289 1.00 9.54 C ATOM 883 CG GLN A 201 -7.804 -4.960 14.814 1.00 11.02 C ATOM 884 CD GLN A 201 -7.576 -5.704 16.075 1.00 14.71 C ATOM 885 OE1 GLN A 201 -8.328 -5.558 17.047 1.00 15.38 O ATOM 886 NE2 GLN A 201 -6.507 -6.485 16.105 1.00 16.00 N ATOM 887 HE22 GLN A 201 -5.905 -6.575 15.262 1.00 0.00 H ATOM 888 HE21 GLN A 201 -6.269 -7.008 16.972 1.00 0.00 H ATOM 889 H GLN A 201 -10.153 -2.569 13.847 1.00 0.00 H ATOM 890 N VAL A 202 -10.361 -5.378 11.089 1.00 7.72 N ATOM 891 CA VAL A 202 -11.418 -5.895 10.235 1.00 7.39 C ATOM 892 C VAL A 202 -11.329 -7.401 10.297 1.00 8.47 C ATOM 893 O VAL A 202 -10.357 -7.987 9.819 1.00 9.15 O ATOM 894 CB VAL A 202 -11.300 -5.393 8.791 1.00 8.31 C ATOM 895 CG1 VAL A 202 -12.478 -5.925 7.981 1.00 9.69 C ATOM 896 CG2 VAL A 202 -11.258 -3.873 8.751 1.00 9.05 C ATOM 897 H VAL A 202 -9.377 -5.479 10.767 1.00 0.00 H ATOM 898 N LEU A 203 -12.337 -8.007 10.912 1.00 7.83 N ATOM 899 CA LEU A 203 -12.393 -9.445 11.063 1.00 8.47 C ATOM 900 C LEU A 203 -13.359 -9.967 10.010 1.00 8.58 C ATOM 901 O LEU A 203 -14.541 -9.620 9.999 1.00 8.87 O ATOM 902 CB LEU A 203 -12.838 -9.827 12.472 1.00 10.55 C ATOM 903 CG LEU A 203 -12.916 -11.324 12.777 1.00 13.46 C ATOM 904 CD1 LEU A 203 -11.646 -12.081 12.411 1.00 13.14 C ATOM 905 CD2 LEU A 203 -13.207 -11.511 14.262 1.00 15.77 C ATOM 906 H LEU A 203 -13.111 -7.430 11.298 1.00 0.00 H ATOM 907 N VAL A 204 -12.848 -10.784 9.113 1.00 8.44 N ATOM 908 CA VAL A 204 -13.682 -11.390 8.089 1.00 7.89 C ATOM 909 C VAL A 204 -14.425 -12.566 8.700 1.00 8.13 C ATOM 910 O VAL A 204 -13.811 -13.472 9.265 1.00 9.78 O ATOM 911 CB VAL A 204 -12.834 -11.844 6.894 1.00 9.67 C ATOM 912 CG1 VAL A 204 -13.743 -12.403 5.822 1.00 10.11 C ATOM 913 CG2 VAL A 204 -11.987 -10.702 6.365 1.00 11.42 C ATOM 914 H VAL A 204 -11.831 -10.999 9.138 1.00 0.00 H ATOM 915 N GLU A 205 -15.747 -12.543 8.587 1.00 8.70 N ATOM 916 CA GLU A 205 -16.608 -13.603 9.077 1.00 9.59 C ATOM 917 C GLU A 205 -17.380 -14.171 7.889 1.00 9.33 C ATOM 918 O GLU A 205 -17.338 -13.605 6.787 1.00 9.36 O ATOM 919 CB GLU A 205 -17.547 -13.062 10.163 1.00 9.93 C ATOM 920 CG GLU A 205 -16.808 -12.649 11.439 1.00 12.05 C ATOM 921 CD GLU A 205 -16.249 -13.822 12.236 1.00 15.36 C ATOM 922 OE1 GLU A 205 -16.007 -14.909 11.679 1.00 17.75 O ATOM 923 OE2 GLU A 205 -16.080 -13.659 13.453 1.00 18.21 O ATOM 924 H GLU A 205 -16.188 -11.723 8.124 1.00 0.00 H ATOM 925 N PRO A 206 -18.100 -15.284 8.070 1.00 9.26 N ATOM 926 CA PRO A 206 -18.744 -15.905 6.912 1.00 9.87 C ATOM 927 C PRO A 206 -19.731 -15.022 6.193 1.00 9.43 C ATOM 928 O PRO A 206 -19.794 -15.114 4.952 1.00 10.15 O ATOM 929 CB PRO A 206 -19.416 -17.146 7.515 1.00 11.28 C ATOM 930 CG PRO A 206 -18.525 -17.492 8.635 1.00 12.19 C ATOM 931 CD PRO A 206 -18.161 -16.162 9.251 1.00 9.78 C ATOM 932 N ASP A 207 -20.499 -14.170 6.909 1.00 9.43 N ATOM 933 CA ASP A 207 -21.528 -13.348 6.280 1.00 9.42 C ATOM 934 C ASP A 207 -21.259 -11.859 6.325 1.00 8.84 C ATOM 935 O ASP A 207 -22.027 -11.099 5.727 1.00 9.33 O ATOM 936 CB ASP A 207 -22.898 -13.619 6.901 1.00 10.44 C ATOM 937 CG ASP A 207 -23.481 -14.953 6.473 1.00 10.59 C ATOM 938 OD1 ASP A 207 -23.088 -15.492 5.403 1.00 10.85 O ATOM 939 OD2 ASP A 207 -24.353 -15.436 7.205 1.00 12.38 O ATOM 940 H ASP A 207 -20.352 -14.098 7.936 1.00 0.00 H ATOM 941 N HIS A 208 -20.214 -11.416 7.016 1.00 8.45 N ATOM 942 CA HIS A 208 -19.985 -9.994 7.165 1.00 7.84 C ATOM 943 C HIS A 208 -18.539 -9.733 7.498 1.00 7.86 C ATOM 944 O HIS A 208 -17.797 -10.623 7.921 1.00 9.31 O ATOM 945 CB HIS A 208 -20.896 -9.366 8.225 1.00 9.09 C ATOM 946 CG HIS A 208 -20.816 -10.020 9.566 1.00 11.56 C ATOM 947 ND1 HIS A 208 -21.842 -10.778 10.091 1.00 13.17 N ATOM 948 CD2 HIS A 208 -19.843 -9.999 10.510 1.00 12.78 C ATOM 949 CE1 HIS A 208 -21.486 -11.220 11.288 1.00 15.15 C ATOM 950 NE2 HIS A 208 -20.277 -10.763 11.567 1.00 14.31 N ATOM 951 H HIS A 208 -19.557 -12.094 7.452 1.00 0.00 H ATOM 952 N PHE A 209 -18.158 -8.484 7.288 1.00 8.33 N ATOM 953 CA PHE A 209 -16.965 -7.948 7.931 1.00 8.34 C ATOM 954 C PHE A 209 -17.373 -7.354 9.268 1.00 8.70 C ATOM 955 O PHE A 209 -18.386 -6.663 9.363 1.00 9.68 O ATOM 956 CB PHE A 209 -16.351 -6.818 7.109 1.00 8.94 C ATOM 957 CG PHE A 209 -15.901 -7.211 5.744 1.00 9.22 C ATOM 958 CD1 PHE A 209 -14.661 -7.774 5.540 1.00 9.75 C ATOM 959 CD2 PHE A 209 -16.716 -6.992 4.646 1.00 10.51 C ATOM 960 CE1 PHE A 209 -14.244 -8.122 4.248 1.00 11.33 C ATOM 961 CE2 PHE A 209 -16.292 -7.331 3.368 1.00 10.75 C ATOM 962 CZ PHE A 209 -15.070 -7.900 3.175 1.00 11.41 C ATOM 963 H PHE A 209 -18.717 -7.876 6.656 1.00 0.00 H ATOM 964 N LYS A 210 -16.604 -7.628 10.307 1.00 8.53 N ATOM 965 CA LYS A 210 -16.801 -7.017 11.608 1.00 9.22 C ATOM 966 C LYS A 210 -15.650 -6.062 11.879 1.00 9.38 C ATOM 967 O LYS A 210 -14.497 -6.442 11.746 1.00 11.06 O ATOM 968 CB LYS A 210 -16.804 -8.095 12.682 1.00 13.28 C ATOM 969 CG LYS A 210 -17.196 -7.583 14.032 1.00 19.30 C ATOM 970 CD LYS A 210 -17.194 -8.690 15.067 1.00 24.61 C ATOM 971 CE LYS A 210 -15.779 -9.205 15.306 1.00 24.65 C ATOM 972 NZ LYS A 210 -14.814 -8.101 15.522 1.00 24.10 N ATOM 973 HZ1 LYS A 210 -14.799 -7.486 14.683 1.00 0.00 H ATOM 974 HZ2 LYS A 210 -15.103 -7.547 16.354 1.00 0.00 H ATOM 975 HZ3 LYS A 210 -13.866 -8.497 15.680 1.00 0.00 H ATOM 976 H LYS A 210 -15.827 -8.309 10.187 1.00 0.00 H ATOM 977 N VAL A 211 -15.949 -4.835 12.256 1.00 8.40 N ATOM 978 CA VAL A 211 -14.923 -3.823 12.480 1.00 7.69 C ATOM 979 C VAL A 211 -14.896 -3.461 13.957 1.00 7.48 C ATOM 980 O VAL A 211 -15.925 -3.115 14.543 1.00 8.23 O ATOM 981 CB VAL A 211 -15.171 -2.569 11.628 1.00 8.15 C ATOM 982 CG1 VAL A 211 -14.051 -1.590 11.869 1.00 9.62 C ATOM 983 CG2 VAL A 211 -15.226 -2.949 10.146 1.00 9.02 C ATOM 984 H VAL A 211 -16.947 -4.581 12.398 1.00 0.00 H ATOM 985 N ALA A 212 -13.720 -3.518 14.544 1.00 7.56 N ATOM 986 CA ALA A 212 -13.476 -3.044 15.890 1.00 7.91 C ATOM 987 C ALA A 212 -12.364 -2.014 15.806 1.00 8.27 C ATOM 988 O ALA A 212 -11.387 -2.204 15.089 1.00 9.89 O ATOM 989 CB ALA A 212 -13.047 -4.173 16.828 1.00 10.09 C ATOM 990 H ALA A 212 -12.924 -3.925 14.013 1.00 0.00 H ATOM 991 N VAL A 213 -12.528 -0.905 16.519 1.00 8.15 N ATOM 992 CA VAL A 213 -11.525 0.161 16.555 1.00 7.54 C ATOM 993 C VAL A 213 -11.063 0.282 17.995 1.00 7.35 C ATOM 994 O VAL A 213 -11.891 0.390 18.905 1.00 8.21 O ATOM 995 CB VAL A 213 -12.077 1.493 16.012 1.00 7.80 C ATOM 996 CG1 VAL A 213 -11.028 2.578 16.112 1.00 9.10 C ATOM 997 CG2 VAL A 213 -12.498 1.306 14.569 1.00 8.58 C ATOM 998 H VAL A 213 -13.401 -0.790 17.072 1.00 0.00 H ATOM 999 N ASN A 214 -9.751 0.259 18.194 1.00 7.57 N ATOM 1000 CA ASN A 214 -9.195 0.406 19.538 1.00 8.17 C ATOM 1001 C ASN A 214 -9.833 -0.582 20.503 1.00 9.39 C ATOM 1002 O ASN A 214 -10.139 -0.267 21.649 1.00 10.08 O ATOM 1003 CB ASN A 214 -9.294 1.834 20.045 1.00 8.47 C ATOM 1004 CG ASN A 214 -8.645 2.811 19.096 1.00 8.59 C ATOM 1005 OD1 ASN A 214 -7.738 2.466 18.298 1.00 8.14 O ATOM 1006 ND2 ASN A 214 -9.092 4.043 19.168 1.00 8.95 N ATOM 1007 HD22 ASN A 214 -9.845 4.284 19.844 1.00 0.00 H ATOM 1008 HD21 ASN A 214 -8.693 4.778 18.549 1.00 0.00 H ATOM 1009 H ASN A 214 -9.111 0.135 17.384 1.00 0.00 H ATOM 1010 N ASP A 215 -9.995 -1.813 20.025 1.00 9.21 N ATOM 1011 CA ASP A 215 -10.505 -2.936 20.791 1.00 10.17 C ATOM 1012 C ASP A 215 -11.950 -2.785 21.230 1.00 10.36 C ATOM 1013 O ASP A 215 -12.381 -3.487 22.134 1.00 12.08 O ATOM 1014 CB ASP A 215 -9.589 -3.283 21.947 1.00 12.48 C ATOM 1015 CG ASP A 215 -8.278 -3.814 21.458 1.00 13.85 C ATOM 1016 OD1 ASP A 215 -8.315 -4.777 20.644 1.00 13.99 O ATOM 1017 OD2 ASP A 215 -7.225 -3.273 21.865 1.00 14.91 O ATOM 1018 H ASP A 215 -9.738 -1.983 19.032 1.00 0.00 H ATOM 1019 N ALA A 216 -12.730 -1.946 20.558 1.00 10.68 N ATOM 1020 CA ALA A 216 -14.163 -1.849 20.815 1.00 11.34 C ATOM 1021 C ALA A 216 -14.913 -2.081 19.510 1.00 10.00 C ATOM 1022 O ALA A 216 -14.604 -1.468 18.485 1.00 9.91 O ATOM 1023 CB ALA A 216 -14.539 -0.472 21.364 1.00 12.54 C ATOM 1024 H ALA A 216 -12.307 -1.340 19.827 1.00 0.00 H ATOM 1025 N HIS A 217 -15.916 -2.933 19.572 1.00 11.04 N ATOM 1026 CA HIS A 217 -16.742 -3.209 18.412 1.00 10.39 C ATOM 1027 C HIS A 217 -17.346 -1.920 17.888 1.00 9.58 C ATOM 1028 O HIS A 217 -17.863 -1.105 18.662 1.00 11.19 O ATOM 1029 CB HIS A 217 -17.867 -4.161 18.780 1.00 13.07 C ATOM 1030 CG HIS A 217 -18.803 -4.387 17.643 1.00 14.64 C ATOM 1031 ND1 HIS A 217 -18.420 -5.063 16.509 1.00 16.65 N ATOM 1032 CD2 HIS A 217 -20.066 -3.958 17.417 1.00 15.44 C ATOM 1033 CE1 HIS A 217 -19.425 -5.084 15.652 1.00 16.91 C ATOM 1034 NE2 HIS A 217 -20.444 -4.432 16.187 1.00 15.80 N ATOM 1035 H HIS A 217 -16.119 -3.417 20.470 1.00 0.00 H ATOM 1036 N LEU A 218 -17.299 -1.745 16.566 1.00 8.79 N ATOM 1037 CA LEU A 218 -17.866 -0.571 15.915 1.00 8.80 C ATOM 1038 C LEU A 218 -19.058 -0.899 15.027 1.00 9.45 C ATOM 1039 O LEU A 218 -20.119 -0.285 15.161 1.00 10.73 O ATOM 1040 CB LEU A 218 -16.797 0.160 15.109 1.00 9.65 C ATOM 1041 CG LEU A 218 -17.264 1.401 14.345 1.00 10.59 C ATOM 1042 CD1 LEU A 218 -17.765 2.458 15.295 1.00 10.84 C ATOM 1043 CD2 LEU A 218 -16.153 1.959 13.471 1.00 11.58 C ATOM 1044 H LEU A 218 -16.842 -2.472 15.980 1.00 0.00 H ATOM 1045 N LEU A 219 -18.891 -1.808 14.061 1.00 9.29 N ATOM 1046 CA LEU A 219 -19.986 -2.109 13.144 1.00 8.97 C ATOM 1047 C LEU A 219 -19.739 -3.440 12.451 1.00 8.34 C ATOM 1048 O LEU A 219 -18.634 -3.986 12.473 1.00 9.20 O ATOM 1049 CB LEU A 219 -20.155 -0.996 12.092 1.00 9.08 C ATOM 1050 CG LEU A 219 -18.946 -0.692 11.185 1.00 9.68 C ATOM 1051 CD1 LEU A 219 -18.843 -1.655 10.001 1.00 10.36 C ATOM 1052 CD2 LEU A 219 -19.025 0.750 10.664 1.00 9.48 C ATOM 1053 H LEU A 219 -17.980 -2.301 13.963 1.00 0.00 H ATOM 1054 N GLN A 220 -20.788 -3.941 11.824 1.00 8.65 N ATOM 1055 CA GLN A 220 -20.667 -5.074 10.923 1.00 10.27 C ATOM 1056 C GLN A 220 -21.236 -4.671 9.574 1.00 8.90 C ATOM 1057 O GLN A 220 -22.157 -3.849 9.487 1.00 10.65 O ATOM 1058 CB GLN A 220 -21.363 -6.334 11.475 1.00 14.95 C ATOM 1059 CG GLN A 220 -22.873 -6.336 11.414 1.00 17.90 C ATOM 1060 CD GLN A 220 -23.433 -7.729 11.632 1.00 20.82 C ATOM 1061 OE1 GLN A 220 -23.113 -8.375 12.621 1.00 22.48 O ATOM 1062 NE2 GLN A 220 -24.254 -8.204 10.693 1.00 21.95 N ATOM 1063 HE22 GLN A 220 -24.497 -7.617 9.870 1.00 0.00 H ATOM 1064 HE21 GLN A 220 -24.651 -9.161 10.785 1.00 0.00 H ATOM 1065 H GLN A 220 -21.723 -3.514 11.979 1.00 0.00 H ATOM 1066 N TYR A 221 -20.681 -5.258 8.519 1.00 8.48 N ATOM 1067 CA TYR A 221 -21.079 -4.940 7.151 1.00 8.60 C ATOM 1068 C TYR A 221 -21.252 -6.236 6.364 1.00 8.35 C ATOM 1069 O TYR A 221 -20.288 -6.968 6.138 1.00 8.16 O ATOM 1070 CB TYR A 221 -20.038 -4.054 6.493 1.00 8.54 C ATOM 1071 CG TYR A 221 -20.421 -3.531 5.130 1.00 8.12 C ATOM 1072 CD1 TYR A 221 -21.107 -2.334 4.986 1.00 7.92 C ATOM 1073 CD2 TYR A 221 -20.106 -4.236 3.988 1.00 8.29 C ATOM 1074 CE1 TYR A 221 -21.425 -1.844 3.749 1.00 7.61 C ATOM 1075 CE2 TYR A 221 -20.423 -3.737 2.725 1.00 7.80 C ATOM 1076 CZ TYR A 221 -21.092 -2.544 2.614 1.00 7.34 C ATOM 1077 OH TYR A 221 -21.407 -1.997 1.398 1.00 7.76 O ATOM 1078 HH TYR A 221 -20.576 -1.833 0.886 1.00 0.00 H ATOM 1079 H TYR A 221 -19.937 -5.969 8.673 1.00 0.00 H ATOM 1080 N ASN A 222 -22.491 -6.554 6.003 1.00 8.09 N ATOM 1081 CA ASN A 222 -22.764 -7.831 5.348 1.00 8.80 C ATOM 1082 C ASN A 222 -22.121 -7.898 3.966 1.00 8.59 C ATOM 1083 O ASN A 222 -22.051 -6.900 3.242 1.00 9.27 O ATOM 1084 CB ASN A 222 -24.268 -8.029 5.190 1.00 11.69 C ATOM 1085 CG ASN A 222 -24.959 -8.378 6.479 1.00 15.75 C ATOM 1086 OD1 ASN A 222 -24.368 -8.936 7.386 1.00 17.75 O ATOM 1087 ND2 ASN A 222 -26.240 -8.074 6.550 1.00 17.25 N ATOM 1088 HD22 ASN A 222 -26.706 -7.597 5.752 1.00 0.00 H ATOM 1089 HD21 ASN A 222 -26.784 -8.311 7.404 1.00 0.00 H ATOM 1090 H ASN A 222 -23.270 -5.890 6.188 1.00 0.00 H ATOM 1091 N HIS A 223 -21.666 -9.093 3.585 1.00 8.41 N ATOM 1092 CA HIS A 223 -21.004 -9.256 2.300 1.00 8.15 C ATOM 1093 C HIS A 223 -21.994 -9.057 1.157 1.00 8.46 C ATOM 1094 O HIS A 223 -22.944 -9.833 1.005 1.00 11.15 O ATOM 1095 CB HIS A 223 -20.373 -10.639 2.178 1.00 9.03 C ATOM 1096 CG HIS A 223 -19.264 -10.905 3.141 1.00 7.97 C ATOM 1097 ND1 HIS A 223 -18.213 -10.035 3.322 1.00 8.35 N ATOM 1098 CD2 HIS A 223 -19.063 -11.942 3.992 1.00 8.76 C ATOM 1099 CE1 HIS A 223 -17.397 -10.542 4.236 1.00 8.86 C ATOM 1100 NE2 HIS A 223 -17.891 -11.696 4.657 1.00 8.45 N ATOM 1101 H HIS A 223 -21.786 -9.914 4.212 1.00 0.00 H ATOM 1102 N ARG A 224 -21.739 -8.047 0.328 1.00 8.82 N ATOM 1103 CA ARG A 224 -22.452 -7.855 -0.925 1.00 8.45 C ATOM 1104 C ARG A 224 -21.720 -8.508 -2.082 1.00 9.55 C ATOM 1105 O ARG A 224 -22.361 -9.161 -2.909 1.00 10.95 O ATOM 1106 CB ARG A 224 -22.644 -6.371 -1.194 1.00 9.71 C ATOM 1107 CG ARG A 224 -23.350 -5.650 -0.067 1.00 8.83 C ATOM 1108 CD ARG A 224 -23.620 -4.228 -0.437 1.00 9.00 C ATOM 1109 NE ARG A 224 -24.121 -3.444 0.697 1.00 9.60 N ATOM 1110 CZ ARG A 224 -24.296 -2.123 0.678 1.00 9.38 C ATOM 1111 NH1 ARG A 224 -24.120 -1.450 -0.444 1.00 9.62 N ATOM 1112 NH2 ARG A 224 -24.637 -1.469 1.770 1.00 9.91 N ATOM 1113 HE ARG A 224 -24.355 -3.952 1.574 1.00 0.00 H ATOM 1114 HH12 ARG A 224 -24.257 -0.419 -0.459 1.00 0.00 H ATOM 1115 HH11 ARG A 224 -23.845 -1.951 -1.313 1.00 0.00 H ATOM 1116 HH22 ARG A 224 -24.770 -0.438 1.739 1.00 0.00 H ATOM 1117 HH21 ARG A 224 -24.773 -1.984 2.663 1.00 0.00 H ATOM 1118 H ARG A 224 -20.998 -7.366 0.588 1.00 0.00 H ATOM 1119 N VAL A 225 -20.401 -8.348 -2.121 1.00 9.13 N ATOM 1120 CA VAL A 225 -19.533 -9.127 -2.989 1.00 9.46 C ATOM 1121 C VAL A 225 -19.338 -10.481 -2.323 1.00 9.70 C ATOM 1122 O VAL A 225 -18.869 -10.566 -1.183 1.00 10.97 O ATOM 1123 CB VAL A 225 -18.199 -8.396 -3.189 1.00 9.02 C ATOM 1124 CG1 VAL A 225 -17.173 -9.294 -3.888 1.00 10.95 C ATOM 1125 CG2 VAL A 225 -18.446 -7.103 -3.933 1.00 9.41 C ATOM 1126 H VAL A 225 -19.970 -7.632 -1.502 1.00 0.00 H ATOM 1127 N LYS A 226 -19.725 -11.546 -3.030 1.00 10.24 N ATOM 1128 CA LYS A 226 -19.710 -12.886 -2.465 1.00 12.72 C ATOM 1129 C LYS A 226 -18.383 -13.601 -2.656 1.00 12.24 C ATOM 1130 O LYS A 226 -18.073 -14.521 -1.892 1.00 14.39 O ATOM 1131 CB LYS A 226 -20.828 -13.727 -3.087 1.00 14.47 C ATOM 1132 CG LYS A 226 -22.231 -13.068 -3.142 1.00 16.71 C ATOM 1133 CD LYS A 226 -22.721 -12.568 -1.819 1.00 15.45 C ATOM 1134 CE LYS A 226 -24.116 -11.982 -1.907 1.00 14.04 C ATOM 1135 NZ LYS A 226 -24.590 -11.649 -0.537 1.00 16.36 N ATOM 1136 HZ1 LYS A 226 -24.608 -12.513 0.042 1.00 0.00 H ATOM 1137 HZ2 LYS A 226 -23.945 -10.956 -0.107 1.00 0.00 H ATOM 1138 HZ3 LYS A 226 -25.547 -11.246 -0.591 1.00 0.00 H ATOM 1139 H LYS A 226 -20.046 -11.414 -4.010 1.00 0.00 H ATOM 1140 N LYS A 227 -17.593 -13.200 -3.656 1.00 11.58 N ATOM 1141 CA LYS A 227 -16.350 -13.897 -3.985 1.00 12.91 C ATOM 1142 C LYS A 227 -15.200 -13.405 -3.110 1.00 11.72 C ATOM 1143 O LYS A 227 -14.309 -12.675 -3.555 1.00 11.53 O ATOM 1144 CB LYS A 227 -16.026 -13.696 -5.449 1.00 16.64 C ATOM 1145 CG LYS A 227 -16.848 -14.497 -6.388 1.00 22.10 C ATOM 1146 CD LYS A 227 -16.431 -14.169 -7.797 1.00 26.85 C ATOM 1147 CE LYS A 227 -16.706 -15.311 -8.713 1.00 29.77 C ATOM 1148 NZ LYS A 227 -17.124 -14.821 -10.058 1.00 30.39 N ATOM 1149 HZ1 LYS A 227 -17.988 -14.250 -9.964 1.00 0.00 H ATOM 1150 HZ2 LYS A 227 -16.364 -14.239 -10.465 1.00 0.00 H ATOM 1151 HZ3 LYS A 227 -17.310 -15.634 -10.679 1.00 0.00 H ATOM 1152 H LYS A 227 -17.870 -12.369 -4.216 1.00 0.00 H ATOM 1153 N LEU A 228 -15.240 -13.848 -1.853 1.00 11.05 N ATOM 1154 CA LEU A 228 -14.254 -13.403 -0.873 1.00 10.57 C ATOM 1155 C LEU A 228 -12.850 -13.707 -1.339 1.00 10.26 C ATOM 1156 O LEU A 228 -11.940 -12.918 -1.101 1.00 9.56 O ATOM 1157 CB LEU A 228 -14.467 -14.072 0.482 1.00 11.32 C ATOM 1158 CG LEU A 228 -15.711 -13.728 1.271 1.00 11.82 C ATOM 1159 CD1 LEU A 228 -15.624 -14.307 2.662 1.00 13.62 C ATOM 1160 CD2 LEU A 228 -15.986 -12.266 1.334 1.00 14.62 C ATOM 1161 H LEU A 228 -15.982 -14.518 -1.568 1.00 0.00 H ATOM 1162 N ASN A 229 -12.660 -14.842 -2.024 1.00 12.10 N ATOM 1163 CA ASN A 229 -11.335 -15.263 -2.450 1.00 12.67 C ATOM 1164 C ASN A 229 -10.842 -14.485 -3.651 1.00 13.00 C ATOM 1165 O ASN A 229 -9.772 -14.782 -4.181 1.00 14.87 O ATOM 1166 CB ASN A 229 -11.254 -16.784 -2.681 1.00 15.42 C ATOM 1167 CG ASN A 229 -12.084 -17.272 -3.849 1.00 19.30 C ATOM 1168 OD1 ASN A 229 -12.819 -16.530 -4.492 1.00 19.94 O ATOM 1169 ND2 ASN A 229 -11.967 -18.575 -4.125 1.00 22.67 N ATOM 1170 HD22 ASN A 229 -11.333 -19.172 -3.557 1.00 0.00 H ATOM 1171 HD21 ASN A 229 -12.510 -18.991 -4.908 1.00 0.00 H ATOM 1172 H ASN A 229 -13.480 -15.437 -2.257 1.00 0.00 H ATOM 1173 N GLU A 230 -11.573 -13.456 -4.051 1.00 11.69 N ATOM 1174 CA GLU A 230 -11.099 -12.544 -5.089 1.00 10.23 C ATOM 1175 C GLU A 230 -10.957 -11.110 -4.592 1.00 8.92 C ATOM 1176 O GLU A 230 -10.634 -10.229 -5.389 1.00 8.08 O ATOM 1177 CB GLU A 230 -12.044 -12.607 -6.298 1.00 11.42 C ATOM 1178 CG GLU A 230 -11.983 -13.944 -7.048 1.00 13.26 C ATOM 1179 CD GLU A 230 -12.793 -13.975 -8.330 1.00 14.45 C ATOM 1180 OE1 GLU A 230 -13.362 -12.961 -8.749 1.00 16.09 O ATOM 1181 OE2 GLU A 230 -12.875 -15.064 -8.955 1.00 17.84 O ATOM 1182 H GLU A 230 -12.504 -13.294 -3.617 1.00 0.00 H ATOM 1183 N ILE A 231 -11.180 -10.869 -3.299 1.00 8.44 N ATOM 1184 CA ILE A 231 -11.018 -9.549 -2.697 1.00 7.87 C ATOM 1185 C ILE A 231 -9.547 -9.454 -2.309 1.00 9.22 C ATOM 1186 O ILE A 231 -9.152 -9.732 -1.178 1.00 11.10 O ATOM 1187 CB ILE A 231 -11.958 -9.354 -1.504 1.00 8.61 C ATOM 1188 CG1 ILE A 231 -13.426 -9.506 -1.926 1.00 9.29 C ATOM 1189 CG2 ILE A 231 -11.730 -7.984 -0.859 1.00 9.30 C ATOM 1190 CD1 ILE A 231 -14.419 -9.553 -0.770 1.00 9.61 C ATOM 1191 H ILE A 231 -11.483 -11.657 -2.692 1.00 0.00 H ATOM 1192 N SER A 232 -8.703 -9.113 -3.294 1.00 8.30 N ATOM 1193 CA SER A 232 -7.275 -9.393 -3.207 1.00 8.92 C ATOM 1194 C SER A 232 -6.418 -8.157 -2.967 1.00 8.79 C ATOM 1195 O SER A 232 -5.197 -8.244 -3.060 1.00 9.52 O ATOM 1196 CB SER A 232 -6.805 -10.124 -4.463 1.00 9.41 C ATOM 1197 OG SER A 232 -7.054 -9.341 -5.611 1.00 9.77 O ATOM 1198 HG SER A 232 -6.744 -9.828 -6.415 1.00 0.00 H ATOM 1199 H SER A 232 -9.076 -8.637 -4.140 1.00 0.00 H ATOM 1200 N LYS A 233 -7.021 -7.025 -2.639 1.00 9.14 N ATOM 1201 CA LYS A 233 -6.241 -5.845 -2.286 1.00 10.18 C ATOM 1202 C LYS A 233 -7.000 -5.016 -1.257 1.00 8.81 C ATOM 1203 O LYS A 233 -8.224 -4.922 -1.304 1.00 9.33 O ATOM 1204 CB LYS A 233 -5.939 -5.013 -3.540 1.00 16.34 C ATOM 1205 CG LYS A 233 -5.584 -3.561 -3.348 1.00 21.89 C ATOM 1206 CD LYS A 233 -6.844 -2.722 -3.471 1.00 24.37 C ATOM 1207 CE LYS A 233 -6.578 -1.268 -3.200 1.00 26.05 C ATOM 1208 NZ LYS A 233 -6.148 -0.552 -4.429 1.00 26.42 N ATOM 1209 HZ1 LYS A 233 -5.275 -0.984 -4.793 1.00 0.00 H ATOM 1210 HZ2 LYS A 233 -6.896 -0.621 -5.148 1.00 0.00 H ATOM 1211 HZ3 LYS A 233 -5.974 0.448 -4.203 1.00 0.00 H ATOM 1212 H LYS A 233 -8.060 -6.977 -2.633 1.00 0.00 H ATOM 1213 N LEU A 234 -6.252 -4.422 -0.344 1.00 9.27 N ATOM 1214 CA LEU A 234 -6.771 -3.416 0.587 1.00 9.62 C ATOM 1215 C LEU A 234 -6.059 -2.100 0.304 1.00 8.77 C ATOM 1216 O LEU A 234 -4.850 -1.998 0.485 1.00 10.47 O ATOM 1217 CB LEU A 234 -6.555 -3.838 2.033 1.00 9.92 C ATOM 1218 CG LEU A 234 -6.803 -2.730 3.054 1.00 11.22 C ATOM 1219 CD1 LEU A 234 -8.197 -2.180 2.960 1.00 11.15 C ATOM 1220 CD2 LEU A 234 -6.497 -3.218 4.468 1.00 12.76 C ATOM 1221 H LEU A 234 -5.247 -4.681 -0.283 1.00 0.00 H ATOM 1222 N GLY A 235 -6.800 -1.100 -0.160 1.00 8.64 N ATOM 1223 CA GLY A 235 -6.251 0.239 -0.304 1.00 9.34 C ATOM 1224 C GLY A 235 -6.495 1.038 0.964 1.00 9.22 C ATOM 1225 O GLY A 235 -7.579 0.996 1.543 1.00 10.10 O ATOM 1226 H GLY A 235 -7.790 -1.278 -0.425 1.00 0.00 H ATOM 1227 N ILE A 236 -5.473 1.770 1.379 1.00 8.69 N ATOM 1228 CA ILE A 236 -5.544 2.619 2.566 1.00 9.26 C ATOM 1229 C ILE A 236 -5.203 4.042 2.152 1.00 9.19 C ATOM 1230 O ILE A 236 -4.133 4.284 1.594 1.00 10.44 O ATOM 1231 CB ILE A 236 -4.589 2.121 3.654 1.00 10.28 C ATOM 1232 CG1 ILE A 236 -4.858 0.657 3.945 1.00 11.11 C ATOM 1233 CG2 ILE A 236 -4.732 2.990 4.904 1.00 11.57 C ATOM 1234 CD1 ILE A 236 -3.755 -0.006 4.753 1.00 12.40 C ATOM 1235 H ILE A 236 -4.585 1.740 0.839 1.00 0.00 H ATOM 1236 N SER A 237 -6.117 4.975 2.404 1.00 8.77 N ATOM 1237 CA SER A 237 -5.921 6.340 1.950 1.00 8.95 C ATOM 1238 C SER A 237 -6.492 7.300 2.979 1.00 9.14 C ATOM 1239 O SER A 237 -7.236 6.910 3.886 1.00 9.80 O ATOM 1240 CB SER A 237 -6.544 6.579 0.560 1.00 12.47 C ATOM 1241 OG SER A 237 -7.928 6.347 0.556 1.00 11.97 O ATOM 1242 HG SER A 237 -8.105 5.409 0.817 1.00 0.00 H ATOM 1243 H SER A 237 -6.978 4.725 2.930 1.00 0.00 H ATOM 1244 N GLY A 238 -6.089 8.551 2.849 1.00 9.30 N ATOM 1245 CA GLY A 238 -6.643 9.617 3.649 1.00 9.41 C ATOM 1246 C GLY A 238 -5.663 10.243 4.617 1.00 9.52 C ATOM 1247 O GLY A 238 -4.449 10.159 4.474 1.00 10.44 O ATOM 1248 H GLY A 238 -5.352 8.774 2.150 1.00 0.00 H ATOM 1249 N ASP A 239 -6.218 10.901 5.620 1.00 9.27 N ATOM 1250 CA ASP A 239 -5.488 11.890 6.404 1.00 10.08 C ATOM 1251 C ASP A 239 -4.875 11.246 7.646 1.00 10.02 C ATOM 1252 O ASP A 239 -5.196 11.584 8.792 1.00 10.75 O ATOM 1253 CB ASP A 239 -6.423 13.041 6.757 1.00 10.03 C ATOM 1254 CG ASP A 239 -7.003 13.713 5.529 1.00 11.04 C ATOM 1255 OD1 ASP A 239 -6.317 13.748 4.492 1.00 12.91 O ATOM 1256 OD2 ASP A 239 -8.160 14.168 5.571 1.00 10.17 O ATOM 1257 H ASP A 239 -7.211 10.706 5.859 1.00 0.00 H ATOM 1258 N ILE A 240 -3.989 10.276 7.391 1.00 9.81 N ATOM 1259 CA ILE A 240 -3.328 9.505 8.430 1.00 10.13 C ATOM 1260 C ILE A 240 -1.836 9.410 8.154 1.00 10.26 C ATOM 1261 O ILE A 240 -1.380 9.539 7.015 1.00 11.37 O ATOM 1262 CB ILE A 240 -3.906 8.088 8.536 1.00 10.57 C ATOM 1263 CG1 ILE A 240 -3.667 7.277 7.250 1.00 11.97 C ATOM 1264 CG2 ILE A 240 -5.384 8.138 8.875 1.00 10.75 C ATOM 1265 CD1 ILE A 240 -3.989 5.781 7.412 1.00 12.68 C ATOM 1266 H ILE A 240 -3.762 10.063 6.399 1.00 0.00 H ATOM 1267 N ASP A 241 -1.098 9.148 9.228 1.00 10.40 N ATOM 1268 CA ASP A 241 0.231 8.564 9.185 1.00 11.03 C ATOM 1269 C ASP A 241 0.015 7.072 9.410 1.00 10.32 C ATOM 1270 O ASP A 241 -0.395 6.646 10.494 1.00 13.18 O ATOM 1271 CB ASP A 241 1.104 9.134 10.300 1.00 13.37 C ATOM 1272 CG ASP A 241 1.396 10.608 10.136 1.00 20.33 C ATOM 1273 OD1 ASP A 241 1.532 11.088 8.986 1.00 22.59 O ATOM 1274 OD2 ASP A 241 1.516 11.282 11.180 1.00 25.28 O ATOM 1275 H ASP A 241 -1.499 9.376 10.160 1.00 0.00 H ATOM 1276 N LEU A 242 0.277 6.284 8.388 1.00 9.98 N ATOM 1277 CA LEU A 242 0.109 4.846 8.500 1.00 9.67 C ATOM 1278 C LEU A 242 1.322 4.230 9.174 1.00 9.61 C ATOM 1279 O LEU A 242 2.458 4.495 8.785 1.00 12.08 O ATOM 1280 CB LEU A 242 -0.074 4.251 7.112 1.00 9.62 C ATOM 1281 CG LEU A 242 -0.254 2.730 7.020 1.00 10.00 C ATOM 1282 CD1 LEU A 242 -1.490 2.252 7.749 1.00 11.06 C ATOM 1283 CD2 LEU A 242 -0.275 2.317 5.562 1.00 10.77 C ATOM 1284 H LEU A 242 0.607 6.696 7.492 1.00 0.00 H ATOM 1285 N THR A 243 1.085 3.382 10.169 1.00 9.60 N ATOM 1286 CA THR A 243 2.149 2.702 10.896 1.00 10.20 C ATOM 1287 C THR A 243 2.373 1.277 10.410 1.00 11.29 C ATOM 1288 O THR A 243 3.519 0.895 10.130 1.00 12.50 O ATOM 1289 CB THR A 243 1.830 2.745 12.386 1.00 12.28 C ATOM 1290 OG1 THR A 243 1.752 4.116 12.776 1.00 13.59 O ATOM 1291 CG2 THR A 243 2.915 2.068 13.193 1.00 15.23 C ATOM 1292 HG1 THR A 243 1.545 4.172 13.743 1.00 0.00 H ATOM 1293 H THR A 243 0.098 3.196 10.440 1.00 0.00 H ATOM 1294 N SER A 244 1.307 0.498 10.261 1.00 10.03 N ATOM 1295 CA SER A 244 1.463 -0.848 9.752 1.00 11.25 C ATOM 1296 C SER A 244 0.118 -1.347 9.270 1.00 10.46 C ATOM 1297 O SER A 244 -0.933 -0.866 9.675 1.00 10.57 O ATOM 1298 CB SER A 244 2.028 -1.795 10.801 1.00 15.93 C ATOM 1299 OG SER A 244 1.119 -1.919 11.862 1.00 17.75 O ATOM 1300 HG SER A 244 0.262 -2.279 11.521 1.00 0.00 H ATOM 1301 H SER A 244 0.362 0.855 10.510 1.00 0.00 H ATOM 1302 N ALA A 245 0.180 -2.332 8.388 1.00 10.17 N ATOM 1303 CA ALA A 245 -1.016 -3.002 7.894 1.00 11.28 C ATOM 1304 C ALA A 245 -0.640 -4.462 7.681 1.00 11.69 C ATOM 1305 O ALA A 245 0.312 -4.774 6.959 1.00 12.58 O ATOM 1306 CB ALA A 245 -1.468 -2.371 6.583 1.00 13.46 C ATOM 1307 H ALA A 245 1.110 -2.637 8.037 1.00 0.00 H ATOM 1308 N SER A 246 -1.355 -5.360 8.329 1.00 11.21 N ATOM 1309 CA SER A 246 -0.997 -6.772 8.284 1.00 11.87 C ATOM 1310 C SER A 246 -2.239 -7.592 8.586 1.00 11.60 C ATOM 1311 O SER A 246 -3.304 -7.046 8.890 1.00 12.25 O ATOM 1312 CB SER A 246 0.105 -7.060 9.298 1.00 14.58 C ATOM 1313 OG SER A 246 -0.339 -6.783 10.619 1.00 18.61 O ATOM 1314 HG SER A 246 -0.594 -5.829 10.687 1.00 0.00 H ATOM 1315 H SER A 246 -2.184 -5.057 8.879 1.00 0.00 H ATOM 1316 N TYR A 247 -2.092 -8.909 8.566 1.00 11.76 N ATOM 1317 CA TYR A 247 -3.215 -9.769 8.880 1.00 13.96 C ATOM 1318 C TYR A 247 -2.708 -11.076 9.453 1.00 13.63 C ATOM 1319 O TYR A 247 -1.554 -11.454 9.252 1.00 14.39 O ATOM 1320 CB TYR A 247 -4.094 -10.041 7.650 1.00 14.04 C ATOM 1321 CG TYR A 247 -3.339 -10.454 6.404 1.00 15.89 C ATOM 1322 CD1 TYR A 247 -2.933 -11.772 6.207 1.00 18.02 C ATOM 1323 CD2 TYR A 247 -3.024 -9.537 5.426 1.00 16.61 C ATOM 1324 CE1 TYR A 247 -2.245 -12.127 5.086 1.00 20.15 C ATOM 1325 CE2 TYR A 247 -2.339 -9.895 4.292 1.00 18.96 C ATOM 1326 CZ TYR A 247 -1.939 -11.192 4.132 1.00 21.59 C ATOM 1327 OH TYR A 247 -1.236 -11.583 3.004 1.00 24.52 O ATOM 1328 HH TYR A 247 -1.033 -12.550 3.062 1.00 0.00 H ATOM 1329 H TYR A 247 -1.170 -9.325 8.325 1.00 0.00 H ATOM 1330 N THR A 248 -3.603 -11.781 10.141 1.00 14.66 N ATOM 1331 CA THR A 248 -3.333 -13.123 10.640 1.00 15.15 C ATOM 1332 C THR A 248 -4.645 -13.875 10.692 1.00 13.91 C ATOM 1333 O THR A 248 -5.712 -13.279 10.587 1.00 14.41 O ATOM 1334 CB THR A 248 -2.689 -13.106 12.027 1.00 18.66 C ATOM 1335 OG1 THR A 248 -2.196 -14.416 12.345 1.00 21.94 O ATOM 1336 CG2 THR A 248 -3.693 -12.651 13.078 1.00 20.24 C ATOM 1337 HG1 THR A 248 -1.780 -14.402 13.243 1.00 0.00 H ATOM 1338 H THR A 248 -4.533 -11.357 10.330 1.00 0.00 H ATOM 1339 N MET A 249 -4.558 -15.185 10.893 1.00 13.33 N ATOM 1340 CA MET A 249 -5.731 -16.031 11.060 1.00 13.07 C ATOM 1341 C MET A 249 -5.909 -16.318 12.539 1.00 14.98 C ATOM 1342 O MET A 249 -4.959 -16.733 13.211 1.00 19.04 O ATOM 1343 CB MET A 249 -5.562 -17.355 10.320 1.00 14.77 C ATOM 1344 CG MET A 249 -5.269 -17.181 8.854 1.00 15.73 C ATOM 1345 SD MET A 249 -6.565 -16.271 8.015 1.00 17.45 S ATOM 1346 CE MET A 249 -5.871 -16.180 6.374 1.00 20.15 C ATOM 1347 H MET A 249 -3.616 -15.623 10.933 1.00 0.00 H ATOM 1348 N ILE A 250 -7.109 -16.086 13.047 1.00 13.97 N ATOM 1349 CA ILE A 250 -7.367 -16.347 14.465 1.00 16.16 C ATOM 1350 C ILE A 250 -7.865 -17.766 14.693 1.00 19.15 C ATOM 1351 O ILE A 250 -8.306 -18.450 13.765 1.00 19.60 O ATOM 1352 CB ILE A 250 -8.334 -15.341 15.073 1.00 17.91 C ATOM 1353 CG1 ILE A 250 -9.702 -15.458 14.400 1.00 19.87 C ATOM 1354 CG2 ILE A 250 -7.735 -13.963 14.988 1.00 20.72 C ATOM 1355 CD1 ILE A 250 -10.787 -14.774 15.115 1.00 21.62 C ATOM 1356 OXT ILE A 250 -7.846 -18.224 15.836 1.00 20.90 O ATOM 1357 H ILE A 250 -7.869 -15.718 12.439 1.00 0.00 H TER 1358 ILE A 250 HETATM 1359 O HOH 1 -13.492 -6.845 14.612 1.00 24.35 O HETATM 1360 O HOH 2 -15.959 -6.328 16.557 1.00 25.42 O HETATM 1361 O HOH 3 -13.653 9.294 19.469 1.00 25.68 O HETATM 1362 O HOH 4 -10.236 16.789 12.297 1.00 32.08 O HETATM 1363 O HOH 5 6.031 2.030 10.575 1.00 28.10 O HETATM 1364 O HOH 6 1.429 7.707 6.025 1.00 24.52 O HETATM 1365 O HOH 7 3.688 3.479 0.665 1.00 24.43 O HETATM 1366 O HOH 8 -7.173 -8.778 -8.120 1.00 17.86 O HETATM 1367 O HOH 9 2.324 -3.890 5.231 1.00 25.84 O HETATM 1368 O HOH 10 1.931 10.263 6.560 1.00 29.54 O HETATM 1369 O HOH 11 -15.702 -17.157 12.943 1.00 17.59 O HETATM 1370 O HOH 12 -8.403 -7.177 -6.162 1.00 14.32 O HETATM 1371 O HOH 13 -8.370 3.641 0.229 1.00 11.74 O HETATM 1372 O HOH 14 -6.695 14.731 19.876 1.00 32.70 O HETATM 1373 O HOH 15 -25.378 -13.797 9.016 1.00 26.39 O HETATM 1374 O HOH 16 -18.836 -6.228 -11.190 1.00 18.31 O HETATM 1375 O HOH 17 -14.172 -14.627 15.017 1.00 14.35 O HETATM 1376 O HOH 18 -8.109 19.559 6.570 1.00 31.96 O HETATM 1377 O HOH 19 -26.416 13.502 -3.291 1.00 20.53 O HETATM 1378 O HOH 20 -23.504 14.318 8.273 1.00 17.31 O HETATM 1379 O HOH 21 -20.437 11.256 15.361 1.00 11.96 O HETATM 1380 O HOH 22 -0.712 -4.028 11.517 1.00 15.13 O HETATM 1381 O HOH 23 -11.280 1.585 23.204 1.00 25.06 O HETATM 1382 O HOH 24 -4.201 2.757 -2.200 1.00 33.92 O HETATM 1383 O HOH 25 -6.293 -17.110 17.711 1.00 34.76 O HETATM 1384 O HOH 26 -17.005 -11.580 14.875 1.00 23.62 O HETATM 1385 O HOH 27 -10.350 -6.529 20.474 1.00 17.46 O HETATM 1386 O HOH 28 -10.690 14.961 17.184 1.00 19.79 O HETATM 1387 O HOH 29 -11.671 5.502 -1.544 1.00 17.14 O HETATM 1388 O HOH 30 -4.186 -8.914 12.491 1.00 15.72 O HETATM 1389 O HOH 31 -7.882 -4.269 -7.003 1.00 22.45 O HETATM 1390 O HOH 32 -11.962 -17.415 0.868 1.00 18.55 O HETATM 1391 O HOH 33 -7.151 12.801 2.093 1.00 18.29 O HETATM 1392 O HOH 34 0.301 -8.896 1.619 1.00 32.43 O HETATM 1393 O HOH 35 -21.082 2.729 8.568 1.00 12.88 O HETATM 1394 O HOH 36 -13.529 14.795 20.556 1.00 13.46 O HETATM 1395 O HOH 37 -24.028 -4.886 3.277 1.00 10.75 O HETATM 1396 O HOH 38 -15.748 -2.351 -11.711 1.00 12.23 O HETATM 1397 O HOH 39 -4.697 -12.347 1.562 1.00 25.53 O HETATM 1398 O HOH 40 -24.654 -4.838 6.730 1.00 11.96 O HETATM 1399 O HOH 41 -3.267 -8.985 -4.847 1.00 18.08 O HETATM 1400 O HOH 42 -18.576 -1.259 21.300 1.00 27.92 O HETATM 1401 O HOH 43 -17.399 -7.821 -7.330 1.00 14.34 O HETATM 1402 O HOH 44 -22.585 -1.382 8.186 1.00 13.74 O HETATM 1403 O HOH 45 -2.374 11.660 3.490 1.00 32.13 O HETATM 1404 O HOH 46 -19.207 -6.851 0.092 1.00 8.77 O HETATM 1405 O HOH 47 -9.762 -7.660 18.087 1.00 19.94 O HETATM 1406 O HOH 48 -13.615 5.033 -5.726 1.00 29.59 O HETATM 1407 O HOH 49 0.913 8.452 17.454 1.00 24.42 O HETATM 1408 O HOH 50 -24.425 -11.059 9.150 1.00 19.83 O HETATM 1409 O HOH 51 -5.774 -5.449 22.756 1.00 31.52 O HETATM 1410 O HOH 52 -23.114 11.593 12.256 1.00 15.31 O HETATM 1411 O HOH 53 -11.121 2.384 -5.858 1.00 21.47 O HETATM 1412 O HOH 54 0.354 4.979 15.004 1.00 15.76 O HETATM 1413 O HOH 55 -6.990 -0.513 21.726 1.00 13.45 O HETATM 1414 O HOH 56 -14.928 6.711 -9.349 1.00 33.88 O HETATM 1415 O HOH 57 -11.930 7.689 -4.996 1.00 27.81 O HETATM 1416 O HOH 58 -16.561 -0.724 -9.037 1.00 11.41 O HETATM 1417 O HOH 59 -8.420 -17.033 -5.153 1.00 31.33 O HETATM 1418 O HOH 60 -16.432 -4.342 21.940 1.00 28.49 O HETATM 1419 O HOH 61 -20.132 19.261 4.725 1.00 24.20 O HETATM 1420 O HOH 62 -22.576 20.476 14.257 1.00 19.44 O HETATM 1421 O HOH 63 -25.567 5.776 13.859 1.00 25.94 O HETATM 1422 O HOH 64 -22.282 12.384 -7.354 1.00 24.43 O HETATM 1423 O HOH 65 -17.324 -10.837 -11.882 1.00 28.87 O HETATM 1424 O HOH 66 -24.582 5.909 -3.465 1.00 21.34 O HETATM 1425 O HOH 67 -19.657 -11.189 14.294 1.00 32.31 O HETATM 1426 O HOH 68 -1.525 -8.918 12.048 1.00 21.96 O HETATM 1427 O HOH 69 -21.353 8.705 -5.208 1.00 25.12 O HETATM 1428 O HOH 70 -8.981 12.413 -3.814 1.00 25.33 O HETATM 1429 O HOH 71 -23.988 -10.702 14.003 1.00 37.32 O HETATM 1430 O HOH 72 -17.613 -8.885 0.739 1.00 8.84 O HETATM 1431 O HOH 73 -9.446 -16.241 -6.607 1.00 29.61 O HETATM 1432 O HOH 74 -9.468 7.766 19.606 1.00 16.69 O HETATM 1433 O HOH 75 -17.337 17.683 12.649 1.00 20.14 O HETATM 1434 O HOH 76 -12.194 18.173 9.458 1.00 33.26 O HETATM 1435 O HOH 77 -15.358 14.900 6.212 1.00 14.94 O HETATM 1436 O HOH 78 -7.845 6.510 17.900 1.00 14.75 O HETATM 1437 O HOH 79 5.869 4.208 2.112 1.00 23.10 O HETATM 1438 O HOH 80 -23.562 -1.248 -10.675 1.00 32.40 O HETATM 1439 O HOH 81 -22.989 -4.164 14.878 1.00 24.93 O HETATM 1440 O HOH 82 -22.248 7.198 -3.119 1.00 12.48 O HETATM 1441 O HOH 83 -22.323 -8.801 -5.764 1.00 25.87 O HETATM 1442 O HOH 84 -25.116 8.032 10.939 1.00 15.99 O HETATM 1443 O HOH 85 -5.755 -8.328 18.196 1.00 32.62 O HETATM 1444 O HOH 86 -8.716 -18.285 8.371 1.00 22.76 O HETATM 1445 O HOH 87 -7.856 8.330 16.006 1.00 11.11 O HETATM 1446 O HOH 88 -9.507 -2.908 17.389 1.00 10.19 O HETATM 1447 O HOH 89 -25.198 -8.591 -3.073 1.00 28.23 O HETATM 1448 O HOH 90 -26.515 -1.340 8.547 1.00 24.64 O HETATM 1449 O HOH 91 -23.742 0.346 12.072 1.00 27.80 O HETATM 1450 O HOH 92 -7.980 -18.297 -2.691 1.00 16.88 O HETATM 1451 O HOH 93 -16.872 1.629 18.830 1.00 26.51 O HETATM 1452 O HOH 94 -18.804 -17.717 4.091 1.00 16.03 O HETATM 1453 O HOH 95 -15.556 7.139 -5.906 1.00 26.99 O HETATM 1454 O HOH 96 -11.350 4.891 20.815 1.00 22.69 O HETATM 1455 O HOH 97 -6.103 13.714 -0.324 1.00 21.36 O HETATM 1456 O HOH 98 -17.836 5.238 -14.297 1.00 32.87 O HETATM 1457 O HOH 99 -12.623 -20.034 7.319 1.00 33.44 O HETATM 1458 O HOH 100 -9.008 6.292 -2.183 1.00 21.31 O HETATM 1459 O HOH 101 -26.839 -9.751 -0.752 1.00 19.20 O HETATM 1460 O HOH 102 -15.500 -19.623 11.497 1.00 20.50 O HETATM 1461 O HOH 103 -26.656 -1.334 -2.822 1.00 20.07 O HETATM 1462 O HOH 104 -25.938 15.860 8.225 1.00 23.74 O HETATM 1463 O HOH 105 0.243 -9.620 6.880 1.00 30.57 O HETATM 1464 O HOH 106 -14.551 1.686 18.690 1.00 34.54 O HETATM 1465 O HOH 107 -3.796 -6.082 18.527 1.00 25.87 O HETATM 1466 O HOH 108 -12.825 3.661 -3.674 1.00 26.25 O HETATM 1467 O HOH 109 4.369 5.332 12.075 1.00 29.56 O HETATM 1468 O HOH 110 -21.816 6.121 -7.941 1.00 22.58 O HETATM 1469 O HOH 111 4.987 -1.434 8.941 1.00 29.38 O HETATM 1470 O HOH 112 -1.407 3.089 16.028 1.00 14.68 O HETATM 1471 O HOH 113 -0.887 13.398 14.028 1.00 30.28 O HETATM 1472 O HOH 114 -22.841 -1.227 -5.445 1.00 19.37 O HETATM 1473 O HOH 115 -23.406 -2.558 12.539 1.00 15.80 O HETATM 1474 O HOH 116 -13.138 1.714 -7.833 1.00 22.26 O HETATM 1475 O HOH 117 -8.604 15.889 18.621 1.00 35.93 O HETATM 1476 O HOH 118 3.081 -3.080 7.791 1.00 20.86 O HETATM 1477 O HOH 119 -11.574 11.355 -3.814 1.00 21.87 O HETATM 1478 O HOH 120 -25.855 1.242 9.148 1.00 31.23 O HETATM 1479 O HOH 121 -13.948 12.003 0.233 1.00 30.93 O HETATM 1480 O HOH 122 -25.437 9.905 8.687 1.00 16.18 O HETATM 1481 O HOH 123 -6.827 14.091 -3.116 1.00 24.40 O HETATM 1482 O HOH 124 -14.861 -17.121 -1.726 1.00 22.90 O HETATM 1483 O HOH 125 -3.948 9.243 0.585 1.00 16.09 O HETATM 1484 O HOH 126 -25.207 -5.480 9.320 1.00 28.92 O HETATM 1485 O HOH 127 -4.497 -8.564 -7.380 1.00 31.09 O HETATM 1486 O HOH 128 -12.410 15.642 14.969 1.00 23.04 O HETATM 1487 O HOH 129 -19.231 -11.726 -6.208 1.00 17.88 O HETATM 1488 O HOH 130 -26.728 13.439 11.167 1.00 27.26 O HETATM 1489 O HOH 131 -13.235 2.873 20.477 1.00 32.42 O HETATM 1490 O HOH 132 -24.029 -2.538 -3.579 1.00 11.74 O HETATM 1491 O HOH 133 -25.218 -3.135 10.557 1.00 34.13 O HETATM 1492 O HOH 134 -22.792 13.912 1.742 1.00 33.43 O HETATM 1493 O HOH 135 -9.704 -19.995 -2.020 1.00 27.94 O HETATM 1494 O HOH 136 -14.944 11.153 1.907 1.00 14.19 O HETATM 1495 O HOH 137 -24.213 -0.761 -7.255 1.00 35.13 O HETATM 1496 O HOH 138 -19.414 -13.561 -7.809 1.00 29.16 O HETATM 1497 O HOH 139 -5.716 12.518 1.296 1.00 30.11 O HETATM 1498 O HOH 140 -28.115 -2.515 3.253 1.00 36.03 O HETATM 1499 O HOH 141 -8.431 -6.155 23.892 1.00 25.35 O HETATM 1500 O HOH 142 -13.668 11.611 -3.616 1.00 37.14 O HETATM 1501 O HOH 143 -16.860 -20.889 9.870 1.00 33.55 O HETATM 1502 O HOH 144 -27.709 -2.723 -0.008 1.00 31.77 O HETATM 1503 O HOH 145 -22.855 0.939 9.438 1.00 23.80 O HETATM 1504 O HOH 146 -8.145 13.818 -4.620 1.00 33.59 O HETATM 1505 O HOH 147 -6.565 3.775 -1.960 1.00 33.95 O HETATM 1506 O HOH 148 -20.172 -8.792 -9.732 1.00 30.15 O HETATM 1507 O HOH 149 -26.414 -6.098 2.566 1.00 17.70 O HETATM 1508 O HOH 150 -3.775 -9.765 15.397 1.00 33.55 O HETATM 1509 O HOH 151 -24.469 12.339 9.997 1.00 14.57 O HETATM 1510 O HOH 152 -20.186 -8.905 -6.996 1.00 17.05 O HETATM 1511 O HOH 153 -26.471 7.650 -1.630 1.00 19.50 O HETATM 1512 O HOH 154 -24.850 -8.178 -6.627 1.00 34.82 O HETATM 1513 O HOH 155 -15.984 -18.367 3.134 1.00 23.71 O HETATM 1514 O HOH 156 -14.971 -18.161 0.721 1.00 28.06 O HETATM 1515 O HOH 157 -25.063 -5.058 -3.882 1.00 31.86 O HETATM 1516 O HOH 158 -28.658 -5.154 1.817 1.00 26.44 O HETATM 1517 O HOH 159 -28.706 9.163 8.282 1.00 16.56 O HETATM 1518 O HOH 160 7.231 6.124 -0.405 1.00 23.58 O HETATM 1519 C10 UNN A 161 -23.981 10.444 -0.562 1.00 0.12 C HETATM 1520 C11 UNN A 161 -24.511 10.993 -1.894 1.00 0.11 C HETATM 1521 C13 UNN A 161 -23.594 10.587 -3.045 1.00 0.11 C HETATM 1522 C14 UNN A 161 -24.150 11.133 -4.376 1.00 0.07 C HETATM 1523 O15 UNN A 161 -23.407 10.638 -5.449 1.00 -0.39 O HETATM 1524 H24 UNN A 161 -23.759 10.981 -6.262 1.00 0.21 H HETATM 1525 H14 UNN A 161 -24.092 12.232 -4.370 1.00 0.06 H HETATM 1526 H15 UNN A 161 -25.199 10.822 -4.486 1.00 0.06 H HETATM 1527 O16 UNN A 161 -22.303 10.995 -2.789 1.00 -0.36 O HETATM 1528 C17 UNN A 161 -21.730 10.427 -1.638 1.00 0.14 C HETATM 1529 C43 UNN A 161 -22.500 10.808 -0.393 1.00 0.12 C HETATM 1530 O44 UNN A 161 -21.984 10.152 0.754 1.00 -0.39 O HETATM 1531 H28 UNN A 161 -22.047 9.212 0.635 1.00 0.21 H HETATM 1532 H20 UNN A 161 -22.413 11.895 -0.246 1.00 0.07 H HETATM 1533 S18 UNN A 161 -20.016 10.885 -1.505 1.00 -0.09 S HETATM 1534 C19 UNN A 161 -19.148 9.373 -2.018 1.00 0.14 C HETATM 1535 C41 UNN A 161 -17.643 9.632 -1.883 1.00 0.13 C HETATM 1536 C26 UNN A 161 -16.917 8.335 -2.201 1.00 0.15 C HETATM 1537 C24 UNN A 161 -17.461 7.156 -1.306 1.00 0.12 C HETATM 1538 C21 UNN A 161 -19.001 7.087 -1.512 1.00 0.11 C HETATM 1539 C22 UNN A 161 -19.615 6.033 -0.606 1.00 0.07 C HETATM 1540 O23 UNN A 161 -20.984 5.966 -0.848 1.00 -0.39 O HETATM 1541 H25 UNN A 161 -21.378 6.811 -0.668 1.00 0.21 H HETATM 1542 H5 UNN A 161 -19.440 6.304 0.446 1.00 0.06 H HETATM 1543 H6 UNN A 161 -19.156 5.055 -0.814 1.00 0.06 H HETATM 1544 O20 UNN A 161 -19.566 8.316 -1.212 1.00 -0.36 O HETATM 1545 H4 UNN A 161 -19.213 6.832 -2.561 1.00 0.06 H HETATM 1546 O25 UNN A 161 -17.184 7.497 0.033 1.00 -0.39 O HETATM 1547 H26 UNN A 161 -16.246 7.600 0.145 1.00 0.21 H HETATM 1548 H7 UNN A 161 -16.988 6.200 -1.574 1.00 0.07 H HETATM 1549 N27 UNN A 161 -15.515 8.362 -2.099 1.00 -0.16 N HETATM 1550 C28 UNN A 161 -14.738 8.707 -1.003 1.00 0.09 C HETATM 1551 C29 UNN A 161 -13.414 8.566 -1.412 1.00 0.07 C HETATM 1552 C30 UNN A 161 -12.220 8.774 -0.676 1.00 -0.03 C HETATM 1553 C31 UNN A 161 -11.011 8.914 -1.334 1.00 -0.03 C HETATM 1554 C32 UNN A 161 -9.838 9.094 -0.638 1.00 0.16 C HETATM 1555 C34 UNN A 161 -9.819 9.166 0.764 1.00 0.19 C HETATM 1556 C36 UNN A 161 -11.067 9.025 1.413 1.00 0.16 C HETATM 1557 C38 UNN A 161 -12.224 8.817 0.701 1.00 -0.03 C HETATM 1558 H18 UNN A 161 -13.159 8.684 1.234 1.00 0.05 H HETATM 1559 F37 UNN A 161 -11.057 9.050 2.726 1.00 -0.19 F HETATM 1560 F35 UNN A 161 -8.716 9.341 1.418 1.00 -0.19 F HETATM 1561 F33 UNN A 161 -8.684 9.240 -1.268 1.00 -0.19 F HETATM 1562 H17 UNN A 161 -10.988 8.881 -2.417 1.00 0.05 H HETATM 1563 N39 UNN A 161 -13.474 8.141 -2.730 1.00 -0.22 N HETATM 1564 N40 UNN A 161 -14.679 8.021 -3.105 1.00 -0.09 N HETATM 1565 H9 UNN A 161 -15.091 9.024 -0.023 1.00 0.11 H HETATM 1566 H8 UNN A 161 -17.153 8.099 -3.249 1.00 0.07 H HETATM 1567 O42 UNN A 161 -17.248 10.597 -2.861 1.00 -0.38 O HETATM 1568 H27 UNN A 161 -16.316 10.762 -2.783 1.00 0.21 H HETATM 1569 H19 UNN A 161 -17.398 9.982 -0.869 1.00 0.07 H HETATM 1570 H16 UNN A 161 -19.386 9.142 -3.067 1.00 0.07 H HETATM 1571 H3 UNN A 161 -21.780 9.333 -1.741 1.00 0.07 H HETATM 1572 H2 UNN A 161 -23.589 9.489 -3.111 1.00 0.06 H HETATM 1573 O12 UNN A 161 -24.545 12.409 -1.760 1.00 -0.39 O HETATM 1574 H23 UNN A 161 -24.870 12.794 -2.565 1.00 0.21 H HETATM 1575 H13 UNN A 161 -25.524 10.608 -2.084 1.00 0.06 H HETATM 1576 O09 UNN A 161 -24.657 10.926 0.535 1.00 -0.36 O HETATM 1577 C08 UNN A 161 -25.827 10.268 0.860 1.00 0.09 C HETATM 1578 C07 UNN A 161 -26.703 11.059 1.744 1.00 0.07 C HETATM 1579 C02 UNN A 161 -27.314 12.268 1.262 1.00 0.28 C HETATM 1580 O01 UNN A 161 -27.224 12.687 0.103 1.00 -0.37 O HETATM 1581 O03 UNN A 161 -28.091 13.121 2.060 1.00 -0.21 O HETATM 1582 C04 UNN A 161 -28.091 12.900 3.421 1.00 0.13 C HETATM 1583 C05 UNN A 161 -27.417 11.796 3.961 1.00 0.04 C HETATM 1584 C06 UNN A 161 -26.744 10.888 3.084 1.00 -0.04 C HETATM 1585 H10 UNN A 161 -26.243 10.022 3.514 1.00 0.06 H HETATM 1586 C45 UNN A 161 -27.458 11.637 5.351 1.00 0.17 C HETATM 1587 C47 UNN A 161 -28.120 12.530 6.187 1.00 0.16 C HETATM 1588 C49 UNN A 161 -28.792 13.632 5.655 1.00 -0.04 C HETATM 1589 C50 UNN A 161 -28.778 13.817 4.271 1.00 -0.03 C HETATM 1590 H22 UNN A 161 -29.294 14.666 3.838 1.00 0.05 H HETATM 1591 H21 UNN A 161 -29.313 14.329 6.302 1.00 0.06 H HETATM 1592 F48 UNN A 161 -28.134 12.338 7.498 1.00 -0.19 F HETATM 1593 F46 UNN A 161 -26.847 10.608 5.935 1.00 -0.19 F HETATM 1594 H11 UNN A 161 -26.374 10.045 -0.068 1.00 0.07 H HETATM 1595 H12 UNN A 161 -25.571 9.328 1.370 1.00 0.07 H HETATM 1596 H1 UNN A 161 -24.083 9.349 -0.581 1.00 0.07 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1519 1520 1529 1576 1596 CONECT 1520 1519 1521 1573 1575 CONECT 1521 1520 1522 1527 1572 CONECT 1522 1521 1523 1525 1526 CONECT 1523 1522 1524 CONECT 1524 1523 CONECT 1525 1522 CONECT 1526 1522 CONECT 1527 1521 1528 CONECT 1528 1527 1529 1533 1571 CONECT 1529 1519 1528 1530 1532 CONECT 1530 1529 1531 CONECT 1531 1530 CONECT 1532 1529 CONECT 1533 1528 1534 CONECT 1534 1533 1535 1544 1570 CONECT 1535 1534 1536 1567 1569 CONECT 1536 1535 1537 1549 1566 CONECT 1537 1536 1538 1546 1548 CONECT 1538 1537 1539 1544 1545 CONECT 1539 1538 1540 1542 1543 CONECT 1540 1539 1541 CONECT 1541 1540 CONECT 1542 1539 CONECT 1543 1539 CONECT 1544 1534 1538 CONECT 1545 1538 CONECT 1546 1537 1547 CONECT 1547 1546 CONECT 1548 1537 CONECT 1549 1536 1550 1564 CONECT 1550 1549 1551 1565 CONECT 1551 1550 1552 1563 CONECT 1552 1551 1553 1557 CONECT 1553 1552 1554 1562 CONECT 1554 1553 1555 1561 CONECT 1555 1554 1556 1560 CONECT 1556 1555 1557 1559 CONECT 1557 1552 1556 1558 CONECT 1558 1557 CONECT 1559 1556 CONECT 1560 1555 CONECT 1561 1554 CONECT 1562 1553 CONECT 1563 1551 1564 CONECT 1564 1549 1563 CONECT 1565 1550 CONECT 1566 1536 CONECT 1567 1535 1568 CONECT 1568 1567 CONECT 1569 1535 CONECT 1570 1534 CONECT 1571 1528 CONECT 1572 1521 CONECT 1573 1520 1574 CONECT 1574 1573 CONECT 1575 1520 CONECT 1576 1519 1577 CONECT 1577 1576 1578 1594 1595 CONECT 1578 1577 1579 1584 CONECT 1579 1578 1580 1581 CONECT 1580 1579 CONECT 1581 1579 1582 CONECT 1582 1581 1583 1589 CONECT 1583 1582 1584 1586 CONECT 1584 1578 1583 1585 CONECT 1585 1584 CONECT 1586 1583 1587 1593 CONECT 1587 1586 1588 1592 CONECT 1588 1587 1589 1591 CONECT 1589 1582 1588 1590 CONECT 1590 1589 CONECT 1591 1588 CONECT 1592 1587 CONECT 1593 1586 CONECT 1594 1577 CONECT 1595 1577 CONECT 1596 1519 MASTER 0 0 0 0 0 0 0 0 1595 1 82 11 END
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Related entries of code: 5ody
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3t1l
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4lbo
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RCSB PDB
PDBbind
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5e89
RCSB PDB
PDBbind
139aa, >5E89_1|Chain... at 100%
5e8a
RCSB PDB
PDBbind
139aa, >5E8A_1|Chain... at 100%
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5nfa
RCSB PDB
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RCSB PDB
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RCSB PDB
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RCSB PDB
PDBbind
138aa, >6EOG_1|Chain... at 99%
6eol
RCSB PDB
PDBbind
138aa, >6EOL_1|Chain... at 99%
6g0v
RCSB PDB
PDBbind
138aa, >6G0V_1|Chain... at 99%
6qlu
RCSB PDB
PDBbind
138aa, >6QLU_1|Chain... at 100%
6qlt
RCSB PDB
PDBbind
138aa, >6QLT_1|Chain... at 100%
6qls
RCSB PDB
PDBbind
138aa, >6QLS_1|Chain... at 100%
6qlr
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PDBbind
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6qlq
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PDBbind
138aa, >6QLQ_1|Chain... at 100%
6qlp
RCSB PDB
PDBbind
138aa, >6QLP_1|Chain... at 100%
6qlo
RCSB PDB
PDBbind
138aa, >6QLO_1|Chain... at 100%
6qln
RCSB PDB
PDBbind
138aa, >6QLN_1|Chain... at 100%
6qge
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PDBbind
138aa, >6QGE_1|Chain... at 100%
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PDBbind
138aa, >6QGF_1|Chain... at 100%
6i78
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138aa, >6I78_1|Chain... at 100%
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138aa, >6I77_1|Chain... at 100%
6i76
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6i75
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5oax
RCSB PDB
PDBbind
9Q5
Entry Information
PDB ID
5ody
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Galectin-3
Ligand Name
9Q5
EC.Number
E.C.-.-.-.-
Resolution
1.15(Å)
Affinity (Kd/Ki/IC50)
Kd=4.0nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 1164-1175
Ligand Properties
Formula
C
3
0
H
2
8
F
5
N
3
O
1
1
S
Molecular Weight
733.614
Exact Mass
733.136
No. of atoms
78
No. of bonds
83
Polar Surface Area
235.29
LOGP Value
0.85 (
Computed with XLOGP3
)
0.48 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 6
Canonical SMILES
OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)n2nnc(c2)c2cc(F)c(c(c2)F)F)O)[C@@H]([C@H]([C@H]1O)OCc1cc2c(oc1=O)ccc(c2F)F)O
InChI String
InChI=1S/C30H28F5N3O11S/c31-13-1-2-17-12(20(13)34)3-11(28(45)47-17)9-46-27-24(42)19(8-40)49-30(26(27)44)50-29-25(43)22(23(41)18(7-39)48-29)38-6-16(36-37-38)10-4-14(32)21(35)15(33)5-10/h1-6,18-19,22-27,29-30,39-44H,7-9H2/t18-,19-,22+,23+,24+,25-,26-,27+,29+,30+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P17931
Entrez Gene ID
NCBI Entrez Gene ID:
3958
ASD
Information of known allosteric effects of PDB entries
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