Browse entries in the PDBbind-CN Database
HEADER 5E8A_COMPLEX COMPND 5E8A_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 137 LEU ILE VAL PRO TYR ASN LEU PRO LEU PRO GLY GLY VAL SEQRES 2 A 137 VAL PRO ARG MET LEU ILE THR ILE LEU GLY THR VAL LYS SEQRES 3 A 137 PRO ASN ALA ASN ARG ILE ALA LEU ASP PHE GLN ARG GLY SEQRES 4 A 137 ASN ASP VAL ALA PHE HIS PHE ASN PRO ARG PHE ASN GLU SEQRES 5 A 137 ASN ASN ARG ARG VAL ILE VAL CYS ASN THR LYS LEU ASP SEQRES 6 A 137 ASN ASN TRP GLY ARG GLU GLU ARG GLN SER VAL PHE PRO SEQRES 7 A 137 PHE GLU SER GLY LYS PRO PHE LYS ILE GLN VAL LEU VAL SEQRES 8 A 137 GLU PRO ASP HIS PHE LYS VAL ALA VAL ASN ASP ALA HIS SEQRES 9 A 137 LEU LEU GLN TYR ASN HIS ARG VAL LYS LYS LEU ASN GLU SEQRES 10 A 137 ILE SER LYS LEU GLY ILE SER GLY ASP ILE ASP LEU THR SEQRES 11 A 137 SER ALA SER TYR THR MET ILE HET UNN A 296 75 ATOM 1 N LEU A 114 -3.962 -4.113 8.156 1.00 22.52 N ATOM 2 CA LEU A 114 -3.649 -3.792 6.737 1.00 20.77 C ATOM 3 C LEU A 114 -3.052 -4.982 5.989 1.00 20.95 C ATOM 4 O LEU A 114 -2.413 -5.843 6.587 1.00 24.60 O ATOM 5 CB LEU A 114 -2.672 -2.633 6.683 1.00 21.05 C ATOM 6 CG LEU A 114 -3.096 -1.374 7.443 1.00 22.70 C ATOM 7 CD1 LEU A 114 -1.983 -0.338 7.430 1.00 23.00 C ATOM 8 CD2 LEU A 114 -4.390 -0.790 6.864 1.00 29.50 C ATOM 9 HN3 LEU A 114 -3.090 -4.397 8.646 1.00 0.00 H ATOM 10 HN2 LEU A 114 -4.650 -4.892 8.190 1.00 0.00 H ATOM 11 HN1 LEU A 114 -4.364 -3.273 8.619 1.00 0.00 H ATOM 12 N ILE A 115 -3.218 -5.011 4.672 1.00 20.80 N ATOM 13 CA ILE A 115 -2.663 -6.091 3.854 1.00 21.96 C ATOM 14 C ILE A 115 -1.183 -5.824 3.578 1.00 21.46 C ATOM 15 O ILE A 115 -0.814 -4.721 3.247 1.00 21.74 O ATOM 16 CB ILE A 115 -3.373 -6.214 2.498 1.00 23.80 C ATOM 17 CG1 ILE A 115 -4.870 -6.496 2.670 1.00 29.86 C ATOM 18 CG2 ILE A 115 -2.750 -7.353 1.677 1.00 27.96 C ATOM 19 CD1 ILE A 115 -5.202 -7.964 2.825 1.00 34.00 C ATOM 20 H ILE A 115 -3.755 -4.249 4.211 1.00 0.00 H ATOM 21 N VAL A 116 -0.358 -6.856 3.715 1.00 18.73 N ATOM 22 CA VAL A 116 1.055 -6.837 3.374 1.00 18.76 C ATOM 23 C VAL A 116 1.266 -7.680 2.108 1.00 17.42 C ATOM 24 O VAL A 116 0.711 -8.788 2.002 1.00 20.58 O ATOM 25 CB VAL A 116 1.857 -7.429 4.546 1.00 19.52 C ATOM 26 CG1 VAL A 116 3.345 -7.483 4.241 1.00 19.46 C ATOM 27 CG2 VAL A 116 1.582 -6.626 5.818 1.00 21.68 C ATOM 28 H VAL A 116 -0.751 -7.741 4.093 1.00 0.00 H ATOM 29 N PRO A 117 2.070 -7.202 1.148 1.00 17.66 N ATOM 30 CA PRO A 117 2.804 -5.934 1.104 1.00 16.30 C ATOM 31 C PRO A 117 1.912 -4.719 0.975 1.00 14.80 C ATOM 32 O PRO A 117 0.847 -4.770 0.334 1.00 17.17 O ATOM 33 CB PRO A 117 3.714 -6.062 -0.124 1.00 17.27 C ATOM 34 CG PRO A 117 3.285 -7.232 -0.852 1.00 22.85 C ATOM 35 CD PRO A 117 2.395 -8.066 -0.001 1.00 19.37 C ATOM 36 N TYR A 118 2.332 -3.632 1.611 1.00 13.62 N ATOM 37 CA TYR A 118 1.555 -2.406 1.721 1.00 13.73 C ATOM 38 C TYR A 118 2.347 -1.258 1.122 1.00 13.66 C ATOM 39 O TYR A 118 3.546 -1.143 1.369 1.00 14.98 O ATOM 40 CB TYR A 118 1.252 -2.082 3.196 1.00 13.79 C ATOM 41 CG TYR A 118 0.301 -0.943 3.403 1.00 15.33 C ATOM 42 CD1 TYR A 118 -1.060 -1.132 3.301 1.00 19.88 C ATOM 43 CD2 TYR A 118 0.769 0.329 3.749 1.00 17.74 C ATOM 44 CE1 TYR A 118 -1.936 -0.090 3.510 1.00 24.27 C ATOM 45 CE2 TYR A 118 -0.109 1.375 3.949 1.00 20.81 C ATOM 46 CZ TYR A 118 -1.460 1.157 3.832 1.00 21.96 C ATOM 47 OH TYR A 118 -2.355 2.190 4.032 1.00 27.77 O ATOM 48 HH TYR A 118 -3.278 1.854 3.908 1.00 0.00 H ATOM 49 H TYR A 118 3.271 -3.658 2.057 1.00 0.00 H ATOM 50 N ASN A 119 1.690 -0.432 0.325 1.00 14.29 N ATOM 51 CA ASN A 119 2.291 0.745 -0.283 1.00 14.26 C ATOM 52 C ASN A 119 1.674 1.994 0.322 1.00 14.52 C ATOM 53 O ASN A 119 0.431 2.192 0.242 1.00 17.23 O ATOM 54 CB ASN A 119 2.038 0.758 -1.788 1.00 16.94 C ATOM 55 CG ASN A 119 2.464 2.069 -2.432 1.00 20.19 C ATOM 56 OD1 ASN A 119 3.612 2.480 -2.298 1.00 23.63 O ATOM 57 ND2 ASN A 119 1.532 2.742 -3.113 1.00 24.86 N ATOM 58 HD22 ASN A 119 0.571 2.355 -3.201 1.00 0.00 H ATOM 59 HD21 ASN A 119 1.768 3.653 -3.555 1.00 0.00 H ATOM 60 H ASN A 119 0.690 -0.635 0.122 1.00 0.00 H ATOM 61 N LEU A 120 2.512 2.815 0.934 1.00 12.02 N ATOM 62 CA LEU A 120 2.121 4.078 1.522 1.00 11.12 C ATOM 63 C LEU A 120 2.657 5.199 0.640 1.00 11.12 C ATOM 64 O LEU A 120 3.865 5.440 0.626 1.00 11.25 O ATOM 65 CB LEU A 120 2.678 4.220 2.933 1.00 13.95 C ATOM 66 CG LEU A 120 2.429 5.519 3.694 1.00 15.93 C ATOM 67 CD1 LEU A 120 0.951 5.662 3.995 1.00 23.29 C ATOM 68 CD2 LEU A 120 3.265 5.550 4.968 1.00 18.43 C ATOM 69 H LEU A 120 3.512 2.536 0.996 1.00 0.00 H ATOM 70 N PRO A 121 1.791 5.928 -0.076 1.00 10.28 N ATOM 71 CA PRO A 121 2.263 7.092 -0.813 1.00 11.21 C ATOM 72 C PRO A 121 2.764 8.162 0.120 1.00 9.94 C ATOM 73 O PRO A 121 2.226 8.337 1.234 1.00 12.71 O ATOM 74 CB PRO A 121 1.022 7.596 -1.537 1.00 14.78 C ATOM 75 CG PRO A 121 0.078 6.483 -1.500 1.00 15.94 C ATOM 76 CD PRO A 121 0.368 5.657 -0.331 1.00 13.44 C ATOM 77 N LEU A 122 3.804 8.868 -0.311 1.00 9.31 N ATOM 78 CA LEU A 122 4.414 9.984 0.423 1.00 9.14 C ATOM 79 C LEU A 122 4.255 11.220 -0.479 1.00 10.27 C ATOM 80 O LEU A 122 5.099 11.485 -1.325 1.00 10.98 O ATOM 81 CB LEU A 122 5.875 9.666 0.721 1.00 9.71 C ATOM 82 CG LEU A 122 6.105 8.355 1.506 1.00 9.16 C ATOM 83 CD1 LEU A 122 7.601 8.112 1.613 1.00 13.60 C ATOM 84 CD2 LEU A 122 5.430 8.401 2.884 1.00 14.86 C ATOM 85 H LEU A 122 4.214 8.612 -1.232 1.00 0.00 H ATOM 86 N PRO A 123 3.115 11.921 -0.381 1.00 10.58 N ATOM 87 CA PRO A 123 2.814 12.922 -1.404 1.00 11.63 C ATOM 88 C PRO A 123 3.825 14.051 -1.482 1.00 10.16 C ATOM 89 O PRO A 123 4.073 14.731 -0.519 1.00 13.63 O ATOM 90 CB PRO A 123 1.455 13.473 -0.974 1.00 13.71 C ATOM 91 CG PRO A 123 0.895 12.438 -0.109 1.00 14.73 C ATOM 92 CD PRO A 123 2.002 11.781 0.568 1.00 12.84 C ATOM 93 N GLY A 124 4.395 14.269 -2.652 1.00 10.51 N ATOM 94 CA GLY A 124 5.400 15.320 -2.785 1.00 11.35 C ATOM 95 C GLY A 124 6.757 14.959 -2.243 1.00 10.32 C ATOM 96 O GLY A 124 7.638 15.818 -2.161 1.00 12.03 O ATOM 97 H GLY A 124 4.129 13.694 -3.477 1.00 0.00 H ATOM 98 N GLY A 125 6.938 13.693 -1.878 1.00 10.21 N ATOM 99 CA GLY A 125 8.195 13.152 -1.414 1.00 10.66 C ATOM 100 C GLY A 125 8.459 13.399 0.035 1.00 11.50 C ATOM 101 O GLY A 125 7.620 13.899 0.757 1.00 13.50 O ATOM 102 H GLY A 125 6.122 13.051 -1.930 1.00 0.00 H ATOM 103 N VAL A 126 9.639 13.030 0.480 1.00 11.23 N ATOM 104 CA VAL A 126 10.008 13.269 1.873 1.00 10.94 C ATOM 105 C VAL A 126 10.714 14.586 2.031 1.00 11.87 C ATOM 106 O VAL A 126 11.202 15.209 1.066 1.00 12.99 O ATOM 107 CB VAL A 126 10.831 12.138 2.442 1.00 11.00 C ATOM 108 CG1 VAL A 126 10.092 10.801 2.241 1.00 13.98 C ATOM 109 CG2 VAL A 126 12.187 12.080 1.807 1.00 14.39 C ATOM 110 H VAL A 126 10.313 12.566 -0.162 1.00 0.00 H ATOM 111 N VAL A 127 10.681 15.057 3.268 1.00 12.05 N ATOM 112 CA VAL A 127 11.193 16.353 3.614 1.00 13.25 C ATOM 113 C VAL A 127 11.713 16.229 5.041 1.00 11.85 C ATOM 114 O VAL A 127 11.199 15.430 5.817 1.00 11.75 O ATOM 115 CB VAL A 127 10.076 17.438 3.477 1.00 16.45 C ATOM 116 CG1 VAL A 127 8.925 17.211 4.452 1.00 18.76 C ATOM 117 CG2 VAL A 127 10.661 18.814 3.599 1.00 23.05 C ATOM 118 H VAL A 127 10.269 14.466 4.018 1.00 0.00 H ATOM 119 N PRO A 128 12.752 17.000 5.399 1.00 11.42 N ATOM 120 CA PRO A 128 13.110 17.005 6.812 1.00 12.26 C ATOM 121 C PRO A 128 11.922 17.367 7.714 1.00 12.13 C ATOM 122 O PRO A 128 11.089 18.206 7.351 1.00 14.60 O ATOM 123 CB PRO A 128 14.226 18.062 6.883 1.00 14.18 C ATOM 124 CG PRO A 128 14.834 18.030 5.507 1.00 18.18 C ATOM 125 CD PRO A 128 13.648 17.855 4.610 1.00 15.14 C ATOM 126 N ARG A 129 11.894 16.737 8.885 1.00 12.96 N ATOM 127 CA ARG A 129 10.867 16.842 9.913 1.00 14.33 C ATOM 128 C ARG A 129 9.657 15.963 9.674 1.00 12.85 C ATOM 129 O ARG A 129 8.715 15.972 10.460 1.00 16.09 O ATOM 130 CB ARG A 129 10.451 18.280 10.180 1.00 15.09 C ATOM 131 CG ARG A 129 11.632 19.176 10.519 1.00 19.74 C ATOM 132 CD ARG A 129 11.241 20.477 11.233 1.00 26.72 C ATOM 133 NE ARG A 129 10.763 20.208 12.588 1.00 32.73 N ATOM 134 CZ ARG A 129 11.537 19.885 13.630 1.00 38.69 C ATOM 135 NH1 ARG A 129 12.862 19.806 13.509 1.00 39.79 N ATOM 136 NH2 ARG A 129 10.982 19.648 14.812 1.00 37.69 N ATOM 137 HE ARG A 129 9.739 20.273 12.755 1.00 0.00 H ATOM 138 HH12 ARG A 129 13.445 19.553 14.332 1.00 0.00 H ATOM 139 HH11 ARG A 129 13.313 19.997 12.591 1.00 0.00 H ATOM 140 HH22 ARG A 129 11.579 19.396 15.626 1.00 0.00 H ATOM 141 HH21 ARG A 129 9.950 19.714 14.925 1.00 0.00 H ATOM 142 H ARG A 129 12.691 16.101 9.089 1.00 0.00 H ATOM 143 N MET A 130 9.692 15.162 8.608 1.00 12.19 N ATOM 144 CA MET A 130 8.661 14.163 8.391 1.00 11.00 C ATOM 145 C MET A 130 8.962 12.934 9.231 1.00 11.92 C ATOM 146 O MET A 130 10.064 12.403 9.175 1.00 12.57 O ATOM 147 CB MET A 130 8.577 13.821 6.909 1.00 11.00 C ATOM 148 CG MET A 130 7.430 12.941 6.529 1.00 15.81 C ATOM 149 SD MET A 130 7.287 12.899 4.696 1.00 23.10 S ATOM 150 CE MET A 130 5.740 12.022 4.499 1.00 21.07 C ATOM 151 H MET A 130 10.469 15.254 7.923 1.00 0.00 H ATOM 152 N LEU A 131 7.960 12.469 9.984 1.00 11.31 N ATOM 153 CA LEU A 131 8.079 11.322 10.856 1.00 10.81 C ATOM 154 C LEU A 131 7.106 10.239 10.419 1.00 11.47 C ATOM 155 O LEU A 131 5.899 10.482 10.381 1.00 13.52 O ATOM 156 CB LEU A 131 7.752 11.743 12.303 1.00 11.96 C ATOM 157 CG LEU A 131 7.790 10.613 13.321 1.00 14.48 C ATOM 158 CD1 LEU A 131 9.202 10.106 13.531 1.00 17.61 C ATOM 159 CD2 LEU A 131 7.171 11.064 14.652 1.00 20.20 C ATOM 160 H LEU A 131 7.044 12.960 9.940 1.00 0.00 H ATOM 161 N ILE A 132 7.617 9.060 10.076 1.00 10.10 N ATOM 162 CA ILE A 132 6.813 7.945 9.625 1.00 9.39 C ATOM 163 C ILE A 132 6.788 6.930 10.753 1.00 11.08 C ATOM 164 O ILE A 132 7.843 6.547 11.254 1.00 12.49 O ATOM 165 CB ILE A 132 7.406 7.355 8.388 1.00 11.08 C ATOM 166 CG1 ILE A 132 7.346 8.378 7.240 1.00 15.02 C ATOM 167 CG2 ILE A 132 6.675 6.077 8.009 1.00 16.26 C ATOM 168 CD1 ILE A 132 8.382 8.160 6.221 1.00 24.22 C ATOM 169 H ILE A 132 8.648 8.933 10.135 1.00 0.00 H ATOM 170 N THR A 133 5.601 6.488 11.131 1.00 10.33 N ATOM 171 CA THR A 133 5.409 5.532 12.223 1.00 10.10 C ATOM 172 C THR A 133 4.719 4.268 11.710 1.00 11.20 C ATOM 173 O THR A 133 3.671 4.360 11.088 1.00 13.72 O ATOM 174 CB THR A 133 4.578 6.140 13.365 1.00 13.90 C ATOM 175 OG1 THR A 133 5.234 7.317 13.844 1.00 13.68 O ATOM 176 CG2 THR A 133 4.427 5.120 14.523 1.00 15.71 C ATOM 177 HG1 THR A 133 5.316 7.971 13.106 1.00 0.00 H ATOM 178 H THR A 133 4.761 6.837 10.627 1.00 0.00 H ATOM 179 N ILE A 134 5.330 3.103 11.951 1.00 10.42 N ATOM 180 CA ILE A 134 4.800 1.808 11.522 1.00 10.75 C ATOM 181 C ILE A 134 4.600 0.951 12.760 1.00 12.25 C ATOM 182 O ILE A 134 5.528 0.760 13.540 1.00 13.39 O ATOM 183 CB ILE A 134 5.793 1.119 10.557 1.00 12.78 C ATOM 184 CG1 ILE A 134 5.976 1.990 9.311 1.00 18.99 C ATOM 185 CG2 ILE A 134 5.314 -0.274 10.155 1.00 13.66 C ATOM 186 CD1 ILE A 134 7.294 1.853 8.672 1.00 26.78 C ATOM 187 H ILE A 134 6.230 3.118 12.471 1.00 0.00 H ATOM 188 N LEU A 135 3.382 0.462 12.972 1.00 11.89 N ATOM 189 CA LEU A 135 3.078 -0.417 14.100 1.00 12.18 C ATOM 190 C LEU A 135 2.689 -1.786 13.548 1.00 12.91 C ATOM 191 O LEU A 135 1.943 -1.882 12.587 1.00 12.02 O ATOM 192 CB LEU A 135 1.902 0.135 14.913 1.00 13.76 C ATOM 193 CG LEU A 135 2.146 1.397 15.722 1.00 19.34 C ATOM 194 CD1 LEU A 135 0.823 2.054 16.110 1.00 24.08 C ATOM 195 CD2 LEU A 135 2.945 1.005 16.956 1.00 23.24 C ATOM 196 H LEU A 135 2.619 0.714 12.312 1.00 0.00 H ATOM 197 N GLY A 136 3.195 -2.846 14.145 1.00 12.72 N ATOM 198 CA GLY A 136 2.773 -4.185 13.748 1.00 13.34 C ATOM 199 C GLY A 136 3.292 -5.202 14.716 1.00 14.15 C ATOM 200 O GLY A 136 3.782 -4.842 15.797 1.00 14.10 O ATOM 201 H GLY A 136 3.898 -2.728 14.902 1.00 0.00 H ATOM 202 N THR A 137 3.179 -6.466 14.323 1.00 13.43 N ATOM 203 CA THR A 137 3.629 -7.586 15.132 1.00 11.80 C ATOM 204 C THR A 137 4.409 -8.516 14.248 1.00 12.97 C ATOM 205 O THR A 137 3.992 -8.815 13.128 1.00 13.93 O ATOM 206 CB THR A 137 2.440 -8.344 15.764 1.00 13.55 C ATOM 207 OG1 THR A 137 1.704 -7.444 16.593 1.00 19.15 O ATOM 208 CG2 THR A 137 2.940 -9.473 16.615 1.00 15.87 C ATOM 209 HG1 THR A 137 0.940 -7.923 17.002 1.00 0.00 H ATOM 210 H THR A 137 2.750 -6.662 13.396 1.00 0.00 H ATOM 211 N VAL A 138 5.580 -8.947 14.709 1.00 11.83 N ATOM 212 CA VAL A 138 6.395 -9.889 13.944 1.00 13.05 C ATOM 213 C VAL A 138 5.758 -11.265 14.014 1.00 14.72 C ATOM 214 O VAL A 138 5.407 -11.733 15.096 1.00 15.39 O ATOM 215 CB VAL A 138 7.846 -9.961 14.441 1.00 12.34 C ATOM 216 CG1 VAL A 138 8.661 -10.939 13.599 1.00 12.97 C ATOM 217 CG2 VAL A 138 8.508 -8.578 14.438 1.00 14.14 C ATOM 218 H VAL A 138 5.922 -8.608 15.631 1.00 0.00 H ATOM 219 N LYS A 139 5.635 -11.946 12.876 1.00 14.47 N ATOM 220 CA LYS A 139 5.040 -13.276 12.891 1.00 16.32 C ATOM 221 C LYS A 139 5.929 -14.248 13.666 1.00 17.73 C ATOM 222 O LYS A 139 7.127 -14.050 13.756 1.00 16.37 O ATOM 223 CB LYS A 139 4.844 -13.768 11.464 1.00 17.81 C ATOM 224 CG LYS A 139 3.752 -13.024 10.706 1.00 20.42 C ATOM 225 CD LYS A 139 3.589 -13.583 9.314 1.00 28.61 C ATOM 226 CE LYS A 139 2.423 -12.959 8.605 1.00 32.51 C ATOM 227 NZ LYS A 139 2.306 -13.536 7.243 1.00 37.65 N ATOM 228 HZ1 LYS A 139 3.179 -13.345 6.711 1.00 0.00 H ATOM 229 HZ2 LYS A 139 2.160 -14.563 7.314 1.00 0.00 H ATOM 230 HZ3 LYS A 139 1.498 -13.103 6.753 1.00 0.00 H ATOM 231 H LYS A 139 5.962 -11.530 11.981 1.00 0.00 H ATOM 232 N PRO A 140 5.350 -15.325 14.217 1.00 18.92 N ATOM 233 CA PRO A 140 6.210 -16.369 14.780 1.00 21.47 C ATOM 234 C PRO A 140 7.084 -16.957 13.675 1.00 21.21 C ATOM 235 O PRO A 140 6.637 -17.041 12.545 1.00 27.09 O ATOM 236 CB PRO A 140 5.208 -17.413 15.277 1.00 21.71 C ATOM 237 CG PRO A 140 3.939 -16.681 15.467 1.00 24.40 C ATOM 238 CD PRO A 140 3.921 -15.568 14.469 1.00 21.84 C ATOM 239 N ASN A 141 8.321 -17.326 13.960 1.00 25.69 N ATOM 240 CA ASN A 141 9.185 -17.915 12.896 1.00 26.66 C ATOM 241 C ASN A 141 9.355 -17.005 11.653 1.00 23.70 C ATOM 242 O ASN A 141 9.472 -17.463 10.509 1.00 24.01 O ATOM 243 CB ASN A 141 8.666 -19.296 12.457 1.00 28.92 C ATOM 244 CG ASN A 141 8.374 -20.225 13.627 1.00 34.30 C ATOM 245 OD1 ASN A 141 7.277 -20.780 13.726 1.00 42.21 O ATOM 246 ND2 ASN A 141 9.352 -20.401 14.515 1.00 39.21 N ATOM 247 HD22 ASN A 141 10.261 -19.912 14.391 1.00 0.00 H ATOM 248 HD21 ASN A 141 9.206 -21.027 15.332 1.00 0.00 H ATOM 249 H ASN A 141 8.691 -17.206 14.924 1.00 0.00 H ATOM 250 N ALA A 142 9.348 -15.704 11.886 1.00 18.88 N ATOM 251 CA ALA A 142 9.687 -14.751 10.846 1.00 17.05 C ATOM 252 C ALA A 142 11.094 -14.958 10.299 1.00 16.22 C ATOM 253 O ALA A 142 12.020 -15.336 11.015 1.00 17.53 O ATOM 254 CB ALA A 142 9.556 -13.306 11.369 1.00 17.22 C ATOM 255 H ALA A 142 9.095 -15.357 12.833 1.00 0.00 H ATOM 256 N ASN A 143 11.244 -14.660 9.008 1.00 14.66 N ATOM 257 CA ASN A 143 12.533 -14.694 8.333 1.00 14.87 C ATOM 258 C ASN A 143 13.051 -13.295 8.006 1.00 14.25 C ATOM 259 O ASN A 143 14.229 -13.025 8.142 1.00 14.04 O ATOM 260 CB ASN A 143 12.441 -15.492 7.025 1.00 16.18 C ATOM 261 CG ASN A 143 12.173 -16.969 7.246 1.00 20.85 C ATOM 262 OD1 ASN A 143 11.261 -17.542 6.637 1.00 27.87 O ATOM 263 ND2 ASN A 143 12.963 -17.598 8.111 1.00 23.98 N ATOM 264 HD22 ASN A 143 13.718 -17.076 8.601 1.00 0.00 H ATOM 265 HD21 ASN A 143 12.826 -18.612 8.298 1.00 0.00 H ATOM 266 H ASN A 143 10.403 -14.391 8.459 1.00 0.00 H ATOM 267 N ARG A 144 12.173 -12.403 7.566 1.00 13.85 N ATOM 268 CA ARG A 144 12.617 -11.104 7.060 1.00 13.59 C ATOM 269 C ARG A 144 11.522 -10.049 7.123 1.00 14.39 C ATOM 270 O ARG A 144 10.337 -10.366 7.095 1.00 15.44 O ATOM 271 CB ARG A 144 13.137 -11.252 5.634 1.00 16.05 C ATOM 272 CG ARG A 144 12.078 -11.685 4.617 1.00 20.40 C ATOM 273 CD ARG A 144 12.738 -12.232 3.351 1.00 32.07 C ATOM 274 NE ARG A 144 11.771 -12.460 2.273 1.00 38.88 N ATOM 275 CZ ARG A 144 12.071 -12.553 0.972 1.00 44.96 C ATOM 276 NH1 ARG A 144 13.329 -12.454 0.541 1.00 46.31 N ATOM 277 NH2 ARG A 144 11.098 -12.744 0.088 1.00 47.54 N ATOM 278 HE ARG A 144 10.771 -12.557 2.541 1.00 0.00 H ATOM 279 HH12 ARG A 144 13.538 -12.529 -0.475 1.00 0.00 H ATOM 280 HH11 ARG A 144 14.101 -12.301 1.221 1.00 0.00 H ATOM 281 HH22 ARG A 144 11.323 -12.817 -0.925 1.00 0.00 H ATOM 282 HH21 ARG A 144 10.112 -12.820 0.409 1.00 0.00 H ATOM 283 H ARG A 144 11.158 -12.630 7.581 1.00 0.00 H ATOM 284 N ILE A 145 11.948 -8.796 7.208 1.00 12.78 N ATOM 285 CA ILE A 145 11.075 -7.614 7.090 1.00 11.77 C ATOM 286 C ILE A 145 11.783 -6.672 6.118 1.00 11.52 C ATOM 287 O ILE A 145 13.014 -6.660 6.074 1.00 12.10 O ATOM 288 CB ILE A 145 10.895 -6.909 8.430 1.00 12.17 C ATOM 289 CG1 ILE A 145 10.282 -7.865 9.463 1.00 18.70 C ATOM 290 CG2 ILE A 145 10.012 -5.633 8.280 1.00 16.78 C ATOM 291 CD1 ILE A 145 10.397 -7.349 10.859 1.00 18.53 C ATOM 292 H ILE A 145 12.963 -8.637 7.368 1.00 0.00 H ATOM 293 N ALA A 146 11.042 -5.883 5.338 1.00 10.76 N ATOM 294 CA ALA A 146 11.693 -4.844 4.525 1.00 9.55 C ATOM 295 C ALA A 146 10.844 -3.594 4.474 1.00 9.71 C ATOM 296 O ALA A 146 9.616 -3.673 4.280 1.00 12.05 O ATOM 297 CB ALA A 146 11.956 -5.313 3.128 1.00 13.17 C ATOM 298 H ALA A 146 10.009 -6.002 5.305 1.00 0.00 H ATOM 299 N LEU A 147 11.500 -2.447 4.614 1.00 9.50 N ATOM 300 CA LEU A 147 10.918 -1.143 4.289 1.00 9.35 C ATOM 301 C LEU A 147 11.698 -0.639 3.098 1.00 10.46 C ATOM 302 O LEU A 147 12.943 -0.639 3.139 1.00 11.26 O ATOM 303 CB LEU A 147 11.077 -0.120 5.419 1.00 12.01 C ATOM 304 CG LEU A 147 10.512 -0.415 6.808 1.00 18.94 C ATOM 305 CD1 LEU A 147 10.526 0.857 7.687 1.00 20.19 C ATOM 306 CD2 LEU A 147 9.159 -0.992 6.755 1.00 23.58 C ATOM 307 H LEU A 147 12.476 -2.477 4.972 1.00 0.00 H ATOM 308 N ASP A 148 11.023 -0.205 2.043 1.00 8.83 N ATOM 309 CA ASP A 148 11.645 0.297 0.823 1.00 8.49 C ATOM 310 C ASP A 148 11.085 1.686 0.488 1.00 7.60 C ATOM 311 O ASP A 148 9.922 1.833 0.079 1.00 9.50 O ATOM 312 CB ASP A 148 11.360 -0.662 -0.324 1.00 10.34 C ATOM 313 CG ASP A 148 12.069 -1.967 -0.176 1.00 14.32 C ATOM 314 OD1 ASP A 148 13.285 -1.974 -0.317 1.00 15.88 O ATOM 315 OD2 ASP A 148 11.418 -3.002 0.046 1.00 20.07 O ATOM 316 H ASP A 148 9.984 -0.224 2.088 1.00 0.00 H ATOM 317 N PHE A 149 11.917 2.706 0.666 1.00 8.33 N ATOM 318 CA PHE A 149 11.600 4.072 0.247 1.00 6.86 C ATOM 319 C PHE A 149 11.992 4.179 -1.207 1.00 8.87 C ATOM 320 O PHE A 149 13.198 4.048 -1.512 1.00 9.66 O ATOM 321 CB PHE A 149 12.351 5.096 1.078 1.00 7.38 C ATOM 322 CG PHE A 149 11.852 5.233 2.484 1.00 9.71 C ATOM 323 CD1 PHE A 149 10.944 6.229 2.796 1.00 13.55 C ATOM 324 CD2 PHE A 149 12.274 4.379 3.482 1.00 12.41 C ATOM 325 CE1 PHE A 149 10.441 6.375 4.100 1.00 14.41 C ATOM 326 CE2 PHE A 149 11.772 4.527 4.802 1.00 13.18 C ATOM 327 CZ PHE A 149 10.860 5.537 5.085 1.00 14.18 C ATOM 328 H PHE A 149 12.834 2.526 1.123 1.00 0.00 H ATOM 329 N GLN A 150 11.029 4.396 -2.099 1.00 8.30 N ATOM 330 CA GLN A 150 11.290 4.322 -3.529 1.00 9.86 C ATOM 331 C GLN A 150 11.232 5.647 -4.244 1.00 9.71 C ATOM 332 O GLN A 150 10.411 6.507 -3.948 1.00 10.99 O ATOM 333 CB GLN A 150 10.332 3.342 -4.200 1.00 11.92 C ATOM 334 CG GLN A 150 10.469 1.967 -3.608 1.00 15.51 C ATOM 335 CD GLN A 150 10.544 0.885 -4.642 1.00 20.16 C ATOM 336 OE1 GLN A 150 11.093 1.075 -5.740 1.00 21.46 O ATOM 337 NE2 GLN A 150 9.995 -0.273 -4.306 1.00 23.36 N ATOM 338 HE22 GLN A 150 9.546 -0.385 -3.374 1.00 0.00 H ATOM 339 HE21 GLN A 150 10.013 -1.070 -4.974 1.00 0.00 H ATOM 340 H GLN A 150 10.070 4.623 -1.768 1.00 0.00 H ATOM 341 N ARG A 151 12.130 5.791 -5.224 1.00 8.93 N ATOM 342 CA ARG A 151 12.143 6.894 -6.168 1.00 10.12 C ATOM 343 C ARG A 151 11.944 6.252 -7.526 1.00 11.28 C ATOM 344 O ARG A 151 12.896 5.792 -8.115 1.00 10.01 O ATOM 345 CB ARG A 151 13.475 7.664 -6.119 1.00 10.36 C ATOM 346 CG ARG A 151 13.589 8.732 -7.193 1.00 11.01 C ATOM 347 CD ARG A 151 14.864 9.549 -7.116 1.00 15.11 C ATOM 348 NE ARG A 151 14.961 10.437 -8.272 1.00 13.42 N ATOM 349 CZ ARG A 151 15.782 10.281 -9.319 1.00 15.34 C ATOM 350 NH1 ARG A 151 16.676 9.308 -9.362 1.00 17.65 N ATOM 351 NH2 ARG A 151 15.719 11.141 -10.326 1.00 15.51 N ATOM 352 HE ARG A 151 14.335 11.267 -8.283 1.00 0.00 H ATOM 353 HH12 ARG A 151 17.300 9.211 -10.188 1.00 0.00 H ATOM 354 HH11 ARG A 151 16.755 8.639 -8.570 1.00 0.00 H ATOM 355 HH22 ARG A 151 16.351 11.031 -11.144 1.00 0.00 H ATOM 356 HH21 ARG A 151 15.038 11.926 -10.297 1.00 0.00 H ATOM 357 H ARG A 151 12.868 5.064 -5.316 1.00 0.00 H ATOM 358 N GLY A 152 10.707 6.156 -7.990 1.00 10.75 N ATOM 359 CA GLY A 152 10.443 5.344 -9.185 1.00 10.73 C ATOM 360 C GLY A 152 10.888 3.900 -8.947 1.00 10.18 C ATOM 361 O GLY A 152 10.560 3.309 -7.899 1.00 12.73 O ATOM 362 H GLY A 152 9.928 6.652 -7.511 1.00 0.00 H ATOM 363 N ASN A 153 11.637 3.316 -9.897 1.00 11.24 N ATOM 364 CA ASN A 153 12.168 1.952 -9.733 1.00 11.21 C ATOM 365 C ASN A 153 13.359 1.848 -8.781 1.00 11.21 C ATOM 366 O ASN A 153 13.751 0.742 -8.400 1.00 13.33 O ATOM 367 CB ASN A 153 12.561 1.406 -11.113 1.00 11.29 C ATOM 368 CG ASN A 153 12.994 -0.040 -11.088 1.00 14.21 C ATOM 369 OD1 ASN A 153 12.226 -0.933 -10.720 1.00 17.74 O ATOM 370 ND2 ASN A 153 14.222 -0.278 -11.493 1.00 14.65 N ATOM 371 HD22 ASN A 153 14.832 0.509 -11.794 1.00 0.00 H ATOM 372 HD21 ASN A 153 14.583 -1.253 -11.513 1.00 0.00 H ATOM 373 H ASN A 153 11.847 3.840 -10.770 1.00 0.00 H ATOM 374 N ASP A 154 13.965 2.986 -8.449 1.00 9.48 N ATOM 375 CA ASP A 154 15.102 2.969 -7.544 1.00 8.69 C ATOM 376 C ASP A 154 14.624 2.857 -6.107 1.00 10.68 C ATOM 377 O ASP A 154 13.532 3.330 -5.763 1.00 11.17 O ATOM 378 CB ASP A 154 15.995 4.197 -7.707 1.00 7.99 C ATOM 379 CG ASP A 154 16.857 4.201 -8.973 1.00 8.64 C ATOM 380 OD1 ASP A 154 16.939 3.173 -9.650 1.00 10.72 O ATOM 381 OD2 ASP A 154 17.478 5.259 -9.243 1.00 13.73 O ATOM 382 H ASP A 154 13.624 3.888 -8.838 1.00 0.00 H ATOM 383 N VAL A 155 15.446 2.230 -5.270 1.00 9.28 N ATOM 384 CA VAL A 155 15.171 2.172 -3.838 1.00 10.32 C ATOM 385 C VAL A 155 16.156 3.081 -3.137 1.00 9.77 C ATOM 386 O VAL A 155 17.328 2.768 -3.009 1.00 10.49 O ATOM 387 CB VAL A 155 15.243 0.756 -3.266 1.00 9.95 C ATOM 388 CG1 VAL A 155 14.889 0.757 -1.773 1.00 13.64 C ATOM 389 CG2 VAL A 155 14.300 -0.193 -4.011 1.00 11.71 C ATOM 390 H VAL A 155 16.302 1.772 -5.644 1.00 0.00 H ATOM 391 N ALA A 156 15.703 4.231 -2.670 1.00 8.31 N ATOM 392 CA ALA A 156 16.558 5.169 -1.968 1.00 8.21 C ATOM 393 C ALA A 156 17.094 4.651 -0.650 1.00 8.72 C ATOM 394 O ALA A 156 18.241 4.928 -0.292 1.00 9.19 O ATOM 395 CB ALA A 156 15.781 6.478 -1.735 1.00 10.23 C ATOM 396 H ALA A 156 14.701 4.471 -2.810 1.00 0.00 H ATOM 397 N PHE A 157 16.287 3.915 0.077 1.00 8.49 N ATOM 398 CA PHE A 157 16.624 3.371 1.387 1.00 7.81 C ATOM 399 C PHE A 157 15.841 2.109 1.592 1.00 8.51 C ATOM 400 O PHE A 157 14.615 2.138 1.627 1.00 9.18 O ATOM 401 CB PHE A 157 16.297 4.415 2.468 1.00 9.44 C ATOM 402 CG PHE A 157 16.493 3.961 3.893 1.00 7.99 C ATOM 403 CD1 PHE A 157 17.557 3.153 4.270 1.00 9.07 C ATOM 404 CD2 PHE A 157 15.654 4.427 4.886 1.00 9.24 C ATOM 405 CE1 PHE A 157 17.722 2.756 5.618 1.00 10.59 C ATOM 406 CE2 PHE A 157 15.819 4.027 6.214 1.00 10.19 C ATOM 407 CZ PHE A 157 16.868 3.216 6.575 1.00 10.74 C ATOM 408 H PHE A 157 15.343 3.706 -0.307 1.00 0.00 H ATOM 409 N HIS A 158 16.567 1.006 1.695 1.00 8.78 N ATOM 410 CA HIS A 158 16.064 -0.340 1.961 1.00 7.12 C ATOM 411 C HIS A 158 16.533 -0.685 3.348 1.00 9.86 C ATOM 412 O HIS A 158 17.735 -0.649 3.621 1.00 9.79 O ATOM 413 CB HIS A 158 16.658 -1.275 0.897 1.00 8.69 C ATOM 414 CG HIS A 158 16.449 -2.744 1.097 1.00 9.06 C ATOM 415 ND1 HIS A 158 15.265 -3.380 0.787 1.00 10.60 N ATOM 416 CD2 HIS A 158 17.328 -3.725 1.435 1.00 11.73 C ATOM 417 CE1 HIS A 158 15.416 -4.688 0.986 1.00 11.63 C ATOM 418 NE2 HIS A 158 16.657 -4.924 1.362 1.00 12.94 N ATOM 419 H HIS A 158 17.595 1.108 1.575 1.00 0.00 H ATOM 420 N PHE A 159 15.607 -0.993 4.235 1.00 8.83 N ATOM 421 CA PHE A 159 15.847 -1.345 5.629 1.00 7.68 C ATOM 422 C PHE A 159 15.360 -2.779 5.805 1.00 9.54 C ATOM 423 O PHE A 159 14.170 -3.048 5.662 1.00 9.79 O ATOM 424 CB PHE A 159 15.107 -0.364 6.538 1.00 8.15 C ATOM 425 CG PHE A 159 15.122 -0.699 8.010 1.00 9.44 C ATOM 426 CD1 PHE A 159 16.139 -0.283 8.829 1.00 11.53 C ATOM 427 CD2 PHE A 159 14.062 -1.377 8.573 1.00 11.47 C ATOM 428 CE1 PHE A 159 16.123 -0.557 10.175 1.00 11.28 C ATOM 429 CE2 PHE A 159 14.047 -1.668 9.940 1.00 13.39 C ATOM 430 CZ PHE A 159 15.076 -1.252 10.727 1.00 11.02 C ATOM 431 H PHE A 159 14.619 -0.984 3.911 1.00 0.00 H ATOM 432 N ASN A 160 16.271 -3.715 6.065 1.00 9.02 N ATOM 433 CA ASN A 160 15.986 -5.159 5.933 1.00 10.04 C ATOM 434 C ASN A 160 16.501 -5.973 7.122 1.00 9.24 C ATOM 435 O ASN A 160 17.596 -6.549 7.079 1.00 11.30 O ATOM 436 CB ASN A 160 16.594 -5.655 4.606 1.00 10.13 C ATOM 437 CG ASN A 160 16.458 -7.134 4.360 1.00 12.03 C ATOM 438 OD1 ASN A 160 17.334 -7.733 3.720 1.00 14.05 O ATOM 439 ND2 ASN A 160 15.378 -7.750 4.834 1.00 13.66 N ATOM 440 HD22 ASN A 160 14.665 -7.213 5.367 1.00 0.00 H ATOM 441 HD21 ASN A 160 15.247 -8.769 4.672 1.00 0.00 H ATOM 442 H ASN A 160 17.219 -3.418 6.373 1.00 0.00 H ATOM 443 N PRO A 161 15.712 -6.037 8.203 1.00 9.57 N ATOM 444 CA PRO A 161 15.982 -7.021 9.252 1.00 10.99 C ATOM 445 C PRO A 161 15.912 -8.451 8.732 1.00 11.51 C ATOM 446 O PRO A 161 14.942 -8.847 8.082 1.00 12.82 O ATOM 447 CB PRO A 161 14.864 -6.773 10.257 1.00 12.02 C ATOM 448 CG PRO A 161 14.437 -5.340 10.000 1.00 11.40 C ATOM 449 CD PRO A 161 14.541 -5.207 8.513 1.00 10.95 C ATOM 450 N ARG A 162 16.944 -9.223 9.027 1.00 12.15 N ATOM 451 CA ARG A 162 17.040 -10.627 8.659 1.00 11.42 C ATOM 452 C ARG A 162 17.182 -11.444 9.938 1.00 12.35 C ATOM 453 O ARG A 162 18.109 -11.217 10.728 1.00 13.53 O ATOM 454 CB ARG A 162 18.266 -10.853 7.767 1.00 11.75 C ATOM 455 CG ARG A 162 18.249 -10.047 6.502 1.00 12.86 C ATOM 456 CD ARG A 162 19.475 -10.303 5.627 1.00 13.03 C ATOM 457 NE ARG A 162 19.405 -9.454 4.431 1.00 12.91 N ATOM 458 CZ ARG A 162 20.307 -9.441 3.457 1.00 14.58 C ATOM 459 NH1 ARG A 162 21.368 -10.239 3.505 1.00 17.29 N ATOM 460 NH2 ARG A 162 20.134 -8.635 2.425 1.00 16.00 N ATOM 461 HE ARG A 162 18.589 -8.816 4.340 1.00 0.00 H ATOM 462 HH12 ARG A 162 22.068 -10.220 2.736 1.00 0.00 H ATOM 463 HH11 ARG A 162 21.499 -10.883 4.311 1.00 0.00 H ATOM 464 HH22 ARG A 162 20.834 -8.617 1.656 1.00 0.00 H ATOM 465 HH21 ARG A 162 19.297 -8.019 2.381 1.00 0.00 H ATOM 466 H ARG A 162 17.735 -8.801 9.554 1.00 0.00 H ATOM 467 N PHE A 163 16.259 -12.377 10.159 1.00 13.40 N ATOM 468 CA PHE A 163 16.209 -13.154 11.415 1.00 13.11 C ATOM 469 C PHE A 163 17.123 -14.375 11.438 1.00 14.58 C ATOM 470 O PHE A 163 17.406 -14.903 12.515 1.00 15.80 O ATOM 471 CB PHE A 163 14.762 -13.581 11.714 1.00 13.43 C ATOM 472 CG PHE A 163 13.879 -12.449 12.141 1.00 14.10 C ATOM 473 CD1 PHE A 163 13.419 -11.535 11.215 1.00 14.77 C ATOM 474 CD2 PHE A 163 13.506 -12.282 13.467 1.00 15.36 C ATOM 475 CE1 PHE A 163 12.613 -10.462 11.594 1.00 16.27 C ATOM 476 CE2 PHE A 163 12.671 -11.208 13.849 1.00 16.26 C ATOM 477 CZ PHE A 163 12.245 -10.309 12.924 1.00 17.38 C ATOM 478 H PHE A 163 15.549 -12.566 9.423 1.00 0.00 H ATOM 479 N ASN A 164 17.570 -14.825 10.275 1.00 14.31 N ATOM 480 CA ASN A 164 18.478 -15.964 10.191 1.00 17.07 C ATOM 481 C ASN A 164 19.328 -15.866 8.944 1.00 18.46 C ATOM 482 O ASN A 164 19.013 -16.451 7.894 1.00 21.94 O ATOM 483 CB ASN A 164 17.701 -17.270 10.214 1.00 19.91 C ATOM 484 CG ASN A 164 18.624 -18.487 10.233 1.00 24.78 C ATOM 485 OD1 ASN A 164 19.843 -18.342 10.182 1.00 25.23 O ATOM 486 ND2 ASN A 164 18.048 -19.686 10.282 1.00 33.40 N ATOM 487 HD22 ASN A 164 17.012 -19.764 10.324 1.00 0.00 H ATOM 488 HD21 ASN A 164 18.634 -20.545 10.278 1.00 0.00 H ATOM 489 H ASN A 164 17.266 -14.354 9.399 1.00 0.00 H ATOM 490 N GLU A 165 20.404 -15.103 9.067 1.00 15.96 N ATOM 491 CA GLU A 165 21.473 -15.101 8.063 1.00 18.15 C ATOM 492 C GLU A 165 22.661 -15.829 8.659 1.00 17.65 C ATOM 493 O GLU A 165 23.392 -15.294 9.501 1.00 17.70 O ATOM 494 CB GLU A 165 21.855 -13.687 7.656 1.00 19.00 C ATOM 495 CG GLU A 165 22.731 -13.682 6.428 1.00 23.33 C ATOM 496 CD GLU A 165 23.381 -12.345 6.204 1.00 23.29 C ATOM 497 OE1 GLU A 165 24.130 -11.891 7.094 1.00 25.37 O ATOM 498 OE2 GLU A 165 23.156 -11.760 5.139 1.00 24.71 O ATOM 499 H GLU A 165 20.493 -14.487 9.900 1.00 0.00 H ATOM 500 N ASN A 166 22.830 -17.084 8.248 1.00 20.20 N ATOM 501 CA ASN A 166 23.868 -17.943 8.799 1.00 20.77 C ATOM 502 C ASN A 166 23.782 -17.996 10.336 1.00 19.30 C ATOM 503 O ASN A 166 24.798 -17.888 11.041 1.00 18.55 O ATOM 504 CB ASN A 166 25.262 -17.485 8.335 1.00 22.82 C ATOM 505 CG ASN A 166 25.390 -17.426 6.814 1.00 25.93 C ATOM 506 OD1 ASN A 166 24.843 -18.269 6.101 1.00 31.03 O ATOM 507 ND2 ASN A 166 26.115 -16.427 6.316 1.00 31.22 N ATOM 508 HD22 ASN A 166 26.559 -15.738 6.956 1.00 0.00 H ATOM 509 HD21 ASN A 166 26.237 -16.336 5.287 1.00 0.00 H ATOM 510 H ASN A 166 22.201 -17.462 7.511 1.00 0.00 H ATOM 511 N ASN A 167 22.562 -18.171 10.839 1.00 17.20 N ATOM 512 CA ASN A 167 22.281 -18.306 12.277 1.00 15.97 C ATOM 513 C ASN A 167 22.561 -17.070 13.113 1.00 16.46 C ATOM 514 O ASN A 167 22.678 -17.154 14.339 1.00 18.83 O ATOM 515 CB ASN A 167 22.961 -19.544 12.850 1.00 17.88 C ATOM 516 CG ASN A 167 22.455 -20.806 12.202 1.00 20.63 C ATOM 517 OD1 ASN A 167 21.270 -21.112 12.285 1.00 23.68 O ATOM 518 ND2 ASN A 167 23.326 -21.502 11.504 1.00 21.08 N ATOM 519 HD22 ASN A 167 24.321 -21.201 11.465 1.00 0.00 H ATOM 520 HD21 ASN A 167 23.020 -22.353 10.991 1.00 0.00 H ATOM 521 H ASN A 167 21.761 -18.215 10.177 1.00 0.00 H ATOM 522 N ARG A 168 22.615 -15.921 12.441 1.00 16.03 N ATOM 523 CA ARG A 168 22.710 -14.644 13.123 1.00 16.77 C ATOM 524 C ARG A 168 21.557 -13.742 12.695 1.00 15.48 C ATOM 525 O ARG A 168 20.951 -13.944 11.637 1.00 16.73 O ATOM 526 CB ARG A 168 24.075 -14.003 12.851 1.00 17.88 C ATOM 527 CG ARG A 168 25.216 -14.940 13.167 1.00 22.10 C ATOM 528 CD ARG A 168 26.561 -14.276 13.151 1.00 25.27 C ATOM 529 NE ARG A 168 27.592 -15.236 13.531 1.00 27.10 N ATOM 530 CZ ARG A 168 28.884 -14.956 13.649 1.00 28.39 C ATOM 531 NH1 ARG A 168 29.327 -13.730 13.425 1.00 26.43 N ATOM 532 NH2 ARG A 168 29.730 -15.910 13.999 1.00 28.36 N ATOM 533 HE ARG A 168 27.292 -16.213 13.724 1.00 0.00 H ATOM 534 HH12 ARG A 168 30.341 -13.518 13.519 1.00 0.00 H ATOM 535 HH11 ARG A 168 28.662 -12.978 13.154 1.00 0.00 H ATOM 536 HH22 ARG A 168 30.744 -15.697 14.093 1.00 0.00 H ATOM 537 HH21 ARG A 168 29.382 -16.873 14.180 1.00 0.00 H ATOM 538 H ARG A 168 22.588 -15.940 11.402 1.00 0.00 H ATOM 539 N ARG A 169 21.253 -12.775 13.551 1.00 14.43 N ATOM 540 CA ARG A 169 20.237 -11.774 13.276 1.00 13.31 C ATOM 541 C ARG A 169 20.970 -10.484 12.936 1.00 13.38 C ATOM 542 O ARG A 169 21.880 -10.075 13.658 1.00 16.09 O ATOM 543 CB ARG A 169 19.305 -11.608 14.476 1.00 13.69 C ATOM 544 CG ARG A 169 18.561 -12.903 14.861 1.00 14.13 C ATOM 545 CD ARG A 169 17.758 -12.706 16.122 1.00 19.31 C ATOM 546 NE ARG A 169 17.421 -13.936 16.835 1.00 21.40 N ATOM 547 CZ ARG A 169 16.701 -14.940 16.343 1.00 18.35 C ATOM 548 NH1 ARG A 169 16.242 -14.914 15.092 1.00 21.85 N ATOM 549 NH2 ARG A 169 16.440 -15.988 17.113 1.00 21.08 N ATOM 550 HE ARG A 169 17.774 -14.035 17.808 1.00 0.00 H ATOM 551 HH12 ARG A 169 15.681 -15.710 14.727 1.00 0.00 H ATOM 552 HH11 ARG A 169 16.445 -14.098 14.480 1.00 0.00 H ATOM 553 HH22 ARG A 169 15.878 -16.780 16.741 1.00 0.00 H ATOM 554 HH21 ARG A 169 16.797 -16.018 18.089 1.00 0.00 H ATOM 555 H ARG A 169 21.763 -12.732 14.456 1.00 0.00 H ATOM 556 N VAL A 170 20.626 -9.862 11.811 1.00 12.58 N ATOM 557 CA VAL A 170 21.326 -8.665 11.346 1.00 13.16 C ATOM 558 C VAL A 170 20.342 -7.753 10.627 1.00 13.63 C ATOM 559 O VAL A 170 19.373 -8.223 10.077 1.00 13.96 O ATOM 560 CB VAL A 170 22.507 -9.040 10.427 1.00 14.79 C ATOM 561 CG1 VAL A 170 22.009 -9.719 9.166 1.00 18.94 C ATOM 562 CG2 VAL A 170 23.408 -7.849 10.121 1.00 19.11 C ATOM 563 H VAL A 170 19.837 -10.238 11.247 1.00 0.00 H ATOM 564 N ILE A 171 20.572 -6.447 10.688 1.00 12.97 N ATOM 565 CA ILE A 171 19.834 -5.510 9.875 1.00 12.64 C ATOM 566 C ILE A 171 20.735 -5.045 8.737 1.00 12.91 C ATOM 567 O ILE A 171 21.853 -4.583 8.960 1.00 13.42 O ATOM 568 CB ILE A 171 19.346 -4.332 10.706 1.00 14.26 C ATOM 569 CG1 ILE A 171 18.341 -4.843 11.755 1.00 17.97 C ATOM 570 CG2 ILE A 171 18.690 -3.294 9.804 1.00 16.51 C ATOM 571 CD1 ILE A 171 18.028 -3.872 12.825 1.00 21.14 C ATOM 572 H ILE A 171 21.302 -6.090 11.337 1.00 0.00 H ATOM 573 N VAL A 172 20.240 -5.172 7.513 1.00 11.67 N ATOM 574 CA VAL A 172 20.963 -4.738 6.314 1.00 10.63 C ATOM 575 C VAL A 172 20.267 -3.512 5.759 1.00 10.58 C ATOM 576 O VAL A 172 19.056 -3.522 5.563 1.00 11.90 O ATOM 577 CB VAL A 172 21.004 -5.831 5.256 1.00 11.75 C ATOM 578 CG1 VAL A 172 21.639 -5.318 3.960 1.00 15.86 C ATOM 579 CG2 VAL A 172 21.787 -7.057 5.790 1.00 13.85 C ATOM 580 H VAL A 172 19.298 -5.598 7.399 1.00 0.00 H ATOM 581 N CYS A 173 21.028 -2.462 5.477 1.00 9.47 N ATOM 582 CA CYS A 173 20.534 -1.260 4.794 1.00 10.35 C ATOM 583 C CYS A 173 21.283 -1.018 3.500 1.00 10.22 C ATOM 584 O CYS A 173 22.508 -1.229 3.436 1.00 10.90 O ATOM 585 CB CYS A 173 20.703 -0.040 5.655 1.00 10.96 C ATOM 586 SG CYS A 173 19.756 -0.114 7.210 1.00 14.54 S ATOM 587 H CYS A 173 22.030 -2.492 5.755 1.00 0.00 H ATOM 588 N ASN A 174 20.593 -0.572 2.471 1.00 9.15 N ATOM 589 CA ASN A 174 21.212 -0.368 1.161 1.00 9.40 C ATOM 590 C ASN A 174 20.350 0.516 0.289 1.00 10.83 C ATOM 591 O ASN A 174 19.234 0.900 0.686 1.00 9.63 O ATOM 592 CB ASN A 174 21.498 -1.731 0.484 1.00 10.41 C ATOM 593 CG ASN A 174 22.689 -1.720 -0.469 1.00 11.57 C ATOM 594 OD1 ASN A 174 23.182 -0.652 -0.869 1.00 11.21 O ATOM 595 ND2 ASN A 174 23.168 -2.929 -0.843 1.00 11.89 N ATOM 596 HD22 ASN A 174 22.724 -3.798 -0.483 1.00 0.00 H ATOM 597 HD21 ASN A 174 23.980 -2.989 -1.490 1.00 0.00 H ATOM 598 H ASN A 174 19.582 -0.359 2.593 1.00 0.00 H ATOM 599 N THR A 175 20.865 0.808 -0.900 1.00 8.48 N ATOM 600 CA THR A 175 20.239 1.610 -1.943 1.00 8.79 C ATOM 601 C THR A 175 20.346 0.849 -3.266 1.00 9.88 C ATOM 602 O THR A 175 21.388 0.237 -3.531 1.00 10.47 O ATOM 603 CB THR A 175 20.955 2.966 -2.050 1.00 8.62 C ATOM 604 OG1 THR A 175 20.717 3.734 -0.869 1.00 10.36 O ATOM 605 CG2 THR A 175 20.509 3.768 -3.256 1.00 10.44 C ATOM 606 HG1 THR A 175 21.062 3.242 -0.082 1.00 0.00 H ATOM 607 H THR A 175 21.810 0.426 -1.107 1.00 0.00 H ATOM 608 N LYS A 176 19.288 0.862 -4.065 1.00 9.81 N ATOM 609 CA LYS A 176 19.273 0.198 -5.379 1.00 9.58 C ATOM 610 C LYS A 176 19.109 1.261 -6.447 1.00 11.17 C ATOM 611 O LYS A 176 18.113 1.997 -6.439 1.00 10.82 O ATOM 612 CB LYS A 176 18.096 -0.796 -5.473 1.00 11.02 C ATOM 613 CG LYS A 176 18.197 -1.740 -6.661 1.00 14.42 C ATOM 614 CD LYS A 176 17.178 -2.878 -6.601 1.00 19.95 C ATOM 615 CE LYS A 176 15.809 -2.477 -7.034 1.00 27.51 C ATOM 616 NZ LYS A 176 14.912 -3.685 -7.313 1.00 29.24 N ATOM 617 HZ1 LYS A 176 15.334 -4.261 -8.069 1.00 0.00 H ATOM 618 HZ2 LYS A 176 14.823 -4.256 -6.448 1.00 0.00 H ATOM 619 HZ3 LYS A 176 13.972 -3.356 -7.611 1.00 0.00 H ATOM 620 H LYS A 176 18.432 1.362 -3.750 1.00 0.00 H ATOM 621 N LEU A 177 20.071 1.341 -7.371 1.00 11.67 N ATOM 622 CA LEU A 177 20.049 2.319 -8.438 1.00 10.92 C ATOM 623 C LEU A 177 20.174 1.604 -9.760 1.00 12.08 C ATOM 624 O LEU A 177 21.109 0.823 -9.941 1.00 13.46 O ATOM 625 CB LEU A 177 21.218 3.307 -8.300 1.00 11.33 C ATOM 626 CG LEU A 177 21.330 4.090 -7.001 1.00 13.16 C ATOM 627 CD1 LEU A 177 22.630 4.885 -6.887 1.00 18.98 C ATOM 628 CD2 LEU A 177 20.134 5.009 -6.887 1.00 16.23 C ATOM 629 H LEU A 177 20.867 0.674 -7.322 1.00 0.00 H ATOM 630 N ASP A 178 19.266 1.881 -10.688 1.00 14.29 N ATOM 631 CA ASP A 178 19.272 1.220 -11.995 1.00 15.52 C ATOM 632 C ASP A 178 19.367 -0.310 -11.886 1.00 17.39 C ATOM 633 O ASP A 178 20.122 -0.964 -12.641 1.00 19.05 O ATOM 634 CB ASP A 178 20.397 1.789 -12.877 1.00 16.97 C ATOM 635 CG ASP A 178 20.198 3.231 -13.212 1.00 22.41 C ATOM 636 OD1 ASP A 178 19.035 3.680 -13.301 1.00 23.72 O ATOM 637 OD2 ASP A 178 21.214 3.921 -13.391 1.00 31.43 O ATOM 638 H ASP A 178 18.530 2.587 -10.481 1.00 0.00 H ATOM 639 N ASN A 179 18.613 -0.875 -10.937 1.00 16.92 N ATOM 640 CA ASN A 179 18.530 -2.317 -10.692 1.00 19.49 C ATOM 641 C ASN A 179 19.768 -2.957 -10.048 1.00 20.61 C ATOM 642 O ASN A 179 19.856 -4.178 -9.971 1.00 23.67 O ATOM 643 CB ASN A 179 18.158 -3.072 -11.992 1.00 22.61 C ATOM 644 CG ASN A 179 16.741 -3.626 -11.970 1.00 27.96 C ATOM 645 OD1 ASN A 179 15.841 -3.072 -11.336 1.00 31.25 O ATOM 646 ND2 ASN A 179 16.533 -4.726 -12.696 1.00 29.38 N ATOM 647 HD22 ASN A 179 17.321 -5.162 -13.216 1.00 0.00 H ATOM 648 HD21 ASN A 179 15.583 -5.147 -12.742 1.00 0.00 H ATOM 649 H ASN A 179 18.047 -0.248 -10.331 1.00 0.00 H ATOM 650 N ASN A 180 20.705 -2.138 -9.574 1.00 16.53 N ATOM 651 CA ASN A 180 21.916 -2.612 -8.910 1.00 17.81 C ATOM 652 C ASN A 180 21.982 -2.166 -7.449 1.00 16.52 C ATOM 653 O ASN A 180 21.877 -0.985 -7.142 1.00 15.69 O ATOM 654 CB ASN A 180 23.152 -2.079 -9.626 1.00 20.14 C ATOM 655 CG ASN A 180 23.264 -2.579 -11.059 1.00 25.94 C ATOM 656 OD1 ASN A 180 23.041 -3.757 -11.330 1.00 36.30 O ATOM 657 ND2 ASN A 180 23.606 -1.681 -11.980 1.00 34.61 N ATOM 658 HD22 ASN A 180 23.785 -0.695 -11.703 1.00 0.00 H ATOM 659 HD21 ASN A 180 23.694 -1.966 -12.976 1.00 0.00 H ATOM 660 H ASN A 180 20.568 -1.113 -9.682 1.00 0.00 H ATOM 661 N TRP A 181 22.194 -3.119 -6.560 1.00 16.72 N ATOM 662 CA TRP A 181 22.424 -2.807 -5.156 1.00 13.67 C ATOM 663 C TRP A 181 23.833 -2.236 -4.928 1.00 16.00 C ATOM 664 O TRP A 181 24.809 -2.671 -5.573 1.00 18.39 O ATOM 665 CB TRP A 181 22.204 -4.053 -4.285 1.00 14.55 C ATOM 666 CG TRP A 181 20.793 -4.482 -4.192 1.00 14.40 C ATOM 667 CD1 TRP A 181 20.221 -5.568 -4.789 1.00 16.94 C ATOM 668 CD2 TRP A 181 19.754 -3.852 -3.438 1.00 11.31 C ATOM 669 NE1 TRP A 181 18.892 -5.650 -4.457 1.00 19.64 N ATOM 670 CE2 TRP A 181 18.581 -4.602 -3.630 1.00 16.03 C ATOM 671 CE3 TRP A 181 19.705 -2.726 -2.600 1.00 14.44 C ATOM 672 CZ2 TRP A 181 17.370 -4.254 -3.035 1.00 15.10 C ATOM 673 CZ3 TRP A 181 18.496 -2.370 -2.030 1.00 15.34 C ATOM 674 CH2 TRP A 181 17.350 -3.129 -2.243 1.00 15.15 C ATOM 675 HE1 TRP A 181 18.231 -6.385 -4.779 1.00 0.00 H ATOM 676 H TRP A 181 22.197 -4.112 -6.868 1.00 0.00 H ATOM 677 N GLY A 182 23.946 -1.316 -3.977 1.00 13.40 N ATOM 678 CA GLY A 182 25.197 -0.684 -3.614 1.00 14.44 C ATOM 679 C GLY A 182 25.886 -1.377 -2.460 1.00 13.87 C ATOM 680 O GLY A 182 25.659 -2.563 -2.208 1.00 15.41 O ATOM 681 H GLY A 182 23.087 -1.033 -3.464 1.00 0.00 H ATOM 682 N ARG A 183 26.732 -0.623 -1.761 1.00 15.45 N ATOM 683 CA ARG A 183 27.451 -1.141 -0.591 1.00 17.31 C ATOM 684 C ARG A 183 26.493 -1.238 0.596 1.00 15.94 C ATOM 685 O ARG A 183 25.830 -0.269 0.955 1.00 14.87 O ATOM 686 CB ARG A 183 28.644 -0.240 -0.245 1.00 20.16 C ATOM 687 CG ARG A 183 29.404 -0.595 1.034 1.00 29.25 C ATOM 688 CD ARG A 183 30.395 0.522 1.404 1.00 37.42 C ATOM 689 NE ARG A 183 29.697 1.793 1.626 1.00 43.90 N ATOM 690 CZ ARG A 183 29.178 2.201 2.788 1.00 50.35 C ATOM 691 NH1 ARG A 183 29.285 1.463 3.894 1.00 53.99 N ATOM 692 NH2 ARG A 183 28.549 3.373 2.849 1.00 51.97 N ATOM 693 HE ARG A 183 29.598 2.430 0.810 1.00 0.00 H ATOM 694 HH12 ARG A 183 28.873 1.801 4.787 1.00 0.00 H ATOM 695 HH11 ARG A 183 29.781 0.549 3.863 1.00 0.00 H ATOM 696 HH22 ARG A 183 28.142 3.699 3.749 1.00 0.00 H ATOM 697 HH21 ARG A 183 28.465 3.963 1.997 1.00 0.00 H ATOM 698 H ARG A 183 26.888 0.363 -2.053 1.00 0.00 H ATOM 699 N GLU A 184 26.427 -2.416 1.217 1.00 12.86 N ATOM 700 CA GLU A 184 25.589 -2.634 2.399 1.00 13.64 C ATOM 701 C GLU A 184 26.153 -1.964 3.626 1.00 14.38 C ATOM 702 O GLU A 184 27.366 -1.944 3.825 1.00 15.71 O ATOM 703 CB GLU A 184 25.431 -4.141 2.678 1.00 13.26 C ATOM 704 CG GLU A 184 24.649 -4.878 1.606 1.00 14.59 C ATOM 705 CD GLU A 184 24.409 -6.368 1.905 1.00 15.62 C ATOM 706 OE1 GLU A 184 25.061 -6.920 2.830 1.00 17.60 O ATOM 707 OE2 GLU A 184 23.553 -6.965 1.209 1.00 17.16 O ATOM 708 H GLU A 184 26.991 -3.209 0.849 1.00 0.00 H ATOM 709 N GLU A 185 25.266 -1.416 4.449 1.00 11.78 N ATOM 710 CA GLU A 185 25.554 -0.996 5.802 1.00 13.15 C ATOM 711 C GLU A 185 24.839 -1.941 6.753 1.00 14.11 C ATOM 712 O GLU A 185 23.618 -2.083 6.717 1.00 16.00 O ATOM 713 CB GLU A 185 25.112 0.455 6.040 1.00 13.25 C ATOM 714 CG GLU A 185 25.793 1.426 5.110 1.00 14.00 C ATOM 715 CD GLU A 185 25.396 2.893 5.288 1.00 16.50 C ATOM 716 OE1 GLU A 185 24.985 3.308 6.390 1.00 17.64 O ATOM 717 OE2 GLU A 185 25.566 3.642 4.311 1.00 16.15 O ATOM 718 H GLU A 185 24.297 -1.280 4.096 1.00 0.00 H ATOM 719 N ARG A 186 25.584 -2.617 7.618 1.00 13.86 N ATOM 720 CA ARG A 186 25.024 -3.637 8.497 1.00 14.44 C ATOM 721 C ARG A 186 25.068 -3.196 9.956 1.00 18.54 C ATOM 722 O ARG A 186 26.011 -2.539 10.394 1.00 20.60 O ATOM 723 CB ARG A 186 25.787 -4.953 8.326 1.00 16.03 C ATOM 724 CG ARG A 186 25.483 -5.618 7.028 1.00 16.67 C ATOM 725 CD ARG A 186 26.335 -6.796 6.673 1.00 20.62 C ATOM 726 NE ARG A 186 25.704 -7.515 5.567 1.00 19.41 N ATOM 727 CZ ARG A 186 25.152 -8.725 5.646 1.00 18.43 C ATOM 728 NH1 ARG A 186 25.181 -9.420 6.784 1.00 22.56 N ATOM 729 NH2 ARG A 186 24.580 -9.251 4.579 1.00 19.25 N ATOM 730 HE ARG A 186 25.684 -7.042 4.641 1.00 0.00 H ATOM 731 HH12 ARG A 186 24.745 -10.363 6.828 1.00 0.00 H ATOM 732 HH11 ARG A 186 25.639 -9.019 7.627 1.00 0.00 H ATOM 733 HH22 ARG A 186 24.147 -10.195 4.633 1.00 0.00 H ATOM 734 HH21 ARG A 186 24.562 -8.721 3.684 1.00 0.00 H ATOM 735 H ARG A 186 26.602 -2.412 7.671 1.00 0.00 H ATOM 736 N GLN A 187 24.023 -3.564 10.684 1.00 19.10 N ATOM 737 CA GLN A 187 23.858 -3.250 12.090 1.00 19.36 C ATOM 738 C GLN A 187 23.586 -4.592 12.791 1.00 19.44 C ATOM 739 O GLN A 187 22.651 -5.318 12.412 1.00 21.33 O ATOM 740 CB GLN A 187 22.688 -2.266 12.245 1.00 21.18 C ATOM 741 CG GLN A 187 22.256 -1.939 13.651 1.00 22.53 C ATOM 742 CD GLN A 187 23.381 -1.351 14.471 1.00 30.44 C ATOM 743 OE1 GLN A 187 23.942 -2.020 15.325 1.00 27.99 O ATOM 744 NE2 GLN A 187 23.742 -0.106 14.184 1.00 35.71 N ATOM 745 HE22 GLN A 187 23.235 0.426 13.448 1.00 0.00 H ATOM 746 HE21 GLN A 187 24.532 0.337 14.695 1.00 0.00 H ATOM 747 H GLN A 187 23.273 -4.113 10.217 1.00 0.00 H ATOM 748 N SER A 188 24.382 -4.909 13.810 1.00 19.67 N ATOM 749 CA SER A 188 24.180 -6.127 14.619 1.00 19.21 C ATOM 750 C SER A 188 23.202 -5.972 15.809 1.00 18.67 C ATOM 751 O SER A 188 22.734 -6.971 16.361 1.00 21.17 O ATOM 752 CB SER A 188 25.521 -6.645 15.115 1.00 22.72 C ATOM 753 OG SER A 188 26.189 -5.667 15.892 1.00 28.58 O ATOM 754 HG SER A 188 26.345 -4.859 15.341 1.00 0.00 H ATOM 755 H SER A 188 25.174 -4.276 14.044 1.00 0.00 H ATOM 756 N VAL A 189 22.897 -4.743 16.206 1.00 16.21 N ATOM 757 CA VAL A 189 21.868 -4.488 17.223 1.00 16.38 C ATOM 758 C VAL A 189 20.537 -4.792 16.578 1.00 14.83 C ATOM 759 O VAL A 189 20.220 -4.268 15.502 1.00 15.65 O ATOM 760 CB VAL A 189 21.893 -3.049 17.746 1.00 18.44 C ATOM 761 CG1 VAL A 189 20.701 -2.761 18.649 1.00 22.33 C ATOM 762 CG2 VAL A 189 23.204 -2.786 18.486 1.00 23.32 C ATOM 763 H VAL A 189 23.401 -3.937 15.785 1.00 0.00 H ATOM 764 N PHE A 190 19.796 -5.708 17.200 1.00 13.91 N ATOM 765 CA PHE A 190 18.601 -6.288 16.576 1.00 13.85 C ATOM 766 C PHE A 190 17.440 -6.269 17.554 1.00 14.83 C ATOM 767 O PHE A 190 17.323 -7.149 18.408 1.00 19.14 O ATOM 768 CB PHE A 190 18.896 -7.708 16.155 1.00 12.58 C ATOM 769 CG PHE A 190 17.911 -8.266 15.181 1.00 12.12 C ATOM 770 CD1 PHE A 190 16.797 -8.923 15.611 1.00 13.95 C ATOM 771 CD2 PHE A 190 18.089 -8.101 13.820 1.00 11.62 C ATOM 772 CE1 PHE A 190 15.880 -9.448 14.706 1.00 13.32 C ATOM 773 CE2 PHE A 190 17.200 -8.644 12.924 1.00 13.74 C ATOM 774 CZ PHE A 190 16.080 -9.301 13.381 1.00 12.12 C ATOM 775 H PHE A 190 20.072 -6.020 18.153 1.00 0.00 H ATOM 776 N PRO A 191 16.590 -5.233 17.458 1.00 14.51 N ATOM 777 CA PRO A 191 15.560 -5.040 18.478 1.00 15.51 C ATOM 778 C PRO A 191 14.252 -5.786 18.249 1.00 17.17 C ATOM 779 O PRO A 191 13.354 -5.705 19.083 1.00 21.63 O ATOM 780 CB PRO A 191 15.323 -3.527 18.432 1.00 16.77 C ATOM 781 CG PRO A 191 15.641 -3.155 17.045 1.00 17.66 C ATOM 782 CD PRO A 191 16.759 -4.038 16.619 1.00 16.02 C ATOM 783 N PHE A 192 14.121 -6.486 17.127 1.00 13.90 N ATOM 784 CA PHE A 192 12.897 -7.193 16.788 1.00 13.65 C ATOM 785 C PHE A 192 12.929 -8.571 17.388 1.00 14.76 C ATOM 786 O PHE A 192 13.989 -9.187 17.544 1.00 15.66 O ATOM 787 CB PHE A 192 12.770 -7.319 15.279 1.00 13.19 C ATOM 788 CG PHE A 192 12.708 -6.004 14.582 1.00 12.26 C ATOM 789 CD1 PHE A 192 11.525 -5.290 14.519 1.00 12.98 C ATOM 790 CD2 PHE A 192 13.839 -5.466 14.010 1.00 12.76 C ATOM 791 CE1 PHE A 192 11.465 -4.064 13.870 1.00 14.89 C ATOM 792 CE2 PHE A 192 13.785 -4.246 13.358 1.00 13.98 C ATOM 793 CZ PHE A 192 12.608 -3.531 13.312 1.00 13.88 C ATOM 794 H PHE A 192 14.924 -6.530 16.467 1.00 0.00 H ATOM 795 N GLU A 193 11.739 -9.062 17.706 1.00 15.09 N ATOM 796 CA GLU A 193 11.553 -10.341 18.369 1.00 16.48 C ATOM 797 C GLU A 193 10.394 -11.072 17.728 1.00 14.29 C ATOM 798 O GLU A 193 9.281 -10.525 17.661 1.00 14.26 O ATOM 799 CB GLU A 193 11.228 -10.112 19.856 1.00 20.39 C ATOM 800 CG GLU A 193 12.198 -9.155 20.578 1.00 25.14 C ATOM 801 CD GLU A 193 11.663 -8.639 21.925 1.00 25.21 C ATOM 802 OE1 GLU A 193 11.957 -9.288 22.927 1.00 25.42 O ATOM 803 OE2 GLU A 193 10.951 -7.584 21.978 1.00 26.62 O ATOM 804 H GLU A 193 10.895 -8.502 17.468 1.00 0.00 H ATOM 805 N SER A 194 10.612 -12.314 17.287 1.00 14.69 N ATOM 806 CA SER A 194 9.546 -13.096 16.668 1.00 15.55 C ATOM 807 C SER A 194 8.341 -13.177 17.599 1.00 13.79 C ATOM 808 O SER A 194 8.493 -13.426 18.790 1.00 16.56 O ATOM 809 CB SER A 194 10.040 -14.502 16.329 1.00 20.92 C ATOM 810 OG SER A 194 10.995 -14.425 15.281 1.00 29.05 O ATOM 811 HG SER A 194 11.316 -15.335 15.061 1.00 0.00 H ATOM 812 H SER A 194 11.559 -12.732 17.387 1.00 0.00 H ATOM 813 N GLY A 195 7.158 -12.906 17.048 1.00 12.34 N ATOM 814 CA GLY A 195 5.921 -13.034 17.788 1.00 13.43 C ATOM 815 C GLY A 195 5.519 -11.778 18.528 1.00 13.08 C ATOM 816 O GLY A 195 4.419 -11.750 19.078 1.00 13.90 O ATOM 817 H GLY A 195 7.123 -12.593 16.057 1.00 0.00 H ATOM 818 N LYS A 196 6.383 -10.755 18.582 1.00 10.87 N ATOM 819 CA LYS A 196 6.121 -9.586 19.442 1.00 10.38 C ATOM 820 C LYS A 196 5.812 -8.300 18.681 1.00 10.23 C ATOM 821 O LYS A 196 6.284 -8.077 17.556 1.00 11.77 O ATOM 822 CB LYS A 196 7.289 -9.319 20.391 1.00 11.18 C ATOM 823 CG LYS A 196 7.588 -10.443 21.337 1.00 13.59 C ATOM 824 CD LYS A 196 8.523 -9.983 22.458 1.00 14.27 C ATOM 825 CE LYS A 196 9.243 -11.101 23.142 1.00 18.12 C ATOM 826 NZ LYS A 196 10.066 -10.536 24.278 1.00 20.21 N ATOM 827 HZ1 LYS A 196 10.755 -9.854 23.900 1.00 0.00 H ATOM 828 HZ2 LYS A 196 9.438 -10.057 24.955 1.00 0.00 H ATOM 829 HZ3 LYS A 196 10.569 -11.309 24.758 1.00 0.00 H ATOM 830 H LYS A 196 7.251 -10.786 18.009 1.00 0.00 H ATOM 831 N PRO A 197 5.005 -7.420 19.298 1.00 10.01 N ATOM 832 CA PRO A 197 4.696 -6.121 18.737 1.00 10.37 C ATOM 833 C PRO A 197 5.859 -5.173 18.719 1.00 10.50 C ATOM 834 O PRO A 197 6.689 -5.151 19.631 1.00 11.43 O ATOM 835 CB PRO A 197 3.566 -5.593 19.628 1.00 12.84 C ATOM 836 CG PRO A 197 3.587 -6.378 20.795 1.00 15.69 C ATOM 837 CD PRO A 197 4.318 -7.637 20.583 1.00 12.89 C ATOM 838 N PHE A 198 5.887 -4.373 17.671 1.00 9.82 N ATOM 839 CA PHE A 198 6.948 -3.377 17.471 1.00 8.94 C ATOM 840 C PHE A 198 6.382 -2.044 16.985 1.00 9.38 C ATOM 841 O PHE A 198 5.266 -1.962 16.444 1.00 10.27 O ATOM 842 CB PHE A 198 7.972 -3.877 16.442 1.00 10.35 C ATOM 843 CG PHE A 198 7.423 -4.018 15.052 1.00 12.27 C ATOM 844 CD1 PHE A 198 7.405 -2.950 14.203 1.00 13.41 C ATOM 845 CD2 PHE A 198 6.933 -5.227 14.599 1.00 14.92 C ATOM 846 CE1 PHE A 198 6.875 -3.053 12.924 1.00 16.78 C ATOM 847 CE2 PHE A 198 6.427 -5.358 13.323 1.00 17.70 C ATOM 848 CZ PHE A 198 6.391 -4.276 12.482 1.00 16.58 C ATOM 849 H PHE A 198 5.131 -4.450 16.961 1.00 0.00 H ATOM 850 N LYS A 199 7.224 -1.018 17.146 1.00 8.80 N ATOM 851 CA LYS A 199 7.011 0.301 16.574 1.00 10.34 C ATOM 852 C LYS A 199 8.301 0.723 15.906 1.00 10.50 C ATOM 853 O LYS A 199 9.350 0.749 16.539 1.00 11.97 O ATOM 854 CB LYS A 199 6.618 1.283 17.667 1.00 11.59 C ATOM 855 CG LYS A 199 6.458 2.696 17.160 1.00 14.38 C ATOM 856 CD LYS A 199 5.892 3.636 18.193 1.00 15.05 C ATOM 857 CE LYS A 199 6.833 3.867 19.358 1.00 17.82 C ATOM 858 NZ LYS A 199 6.229 4.819 20.358 1.00 20.95 N ATOM 859 HZ1 LYS A 199 6.039 5.731 19.896 1.00 0.00 H ATOM 860 HZ2 LYS A 199 5.339 4.421 20.720 1.00 0.00 H ATOM 861 HZ3 LYS A 199 6.893 4.960 21.146 1.00 0.00 H ATOM 862 H LYS A 199 8.082 -1.173 17.714 1.00 0.00 H ATOM 863 N ILE A 200 8.240 1.005 14.601 1.00 8.67 N ATOM 864 CA ILE A 200 9.358 1.585 13.874 1.00 9.47 C ATOM 865 C ILE A 200 9.011 3.048 13.617 1.00 10.18 C ATOM 866 O ILE A 200 7.905 3.371 13.137 1.00 12.02 O ATOM 867 CB ILE A 200 9.604 0.887 12.511 1.00 10.10 C ATOM 868 CG1 ILE A 200 9.934 -0.577 12.723 1.00 13.10 C ATOM 869 CG2 ILE A 200 10.722 1.594 11.767 1.00 12.45 C ATOM 870 CD1 ILE A 200 9.940 -1.400 11.429 1.00 14.98 C ATOM 871 H ILE A 200 7.360 0.802 14.086 1.00 0.00 H ATOM 872 N GLN A 201 9.929 3.952 13.947 1.00 9.48 N ATOM 873 CA GLN A 201 9.788 5.368 13.581 1.00 11.19 C ATOM 874 C GLN A 201 10.944 5.755 12.715 1.00 10.03 C ATOM 875 O GLN A 201 12.094 5.492 13.049 1.00 11.91 O ATOM 876 CB GLN A 201 9.746 6.259 14.801 1.00 11.74 C ATOM 877 CG GLN A 201 8.447 6.143 15.568 1.00 16.21 C ATOM 878 CD GLN A 201 8.532 6.748 16.961 1.00 20.68 C ATOM 879 OE1 GLN A 201 9.428 6.425 17.752 1.00 24.05 O ATOM 880 NE2 GLN A 201 7.611 7.651 17.252 1.00 29.05 N ATOM 881 HE22 GLN A 201 6.878 7.889 16.554 1.00 0.00 H ATOM 882 HE21 GLN A 201 7.620 8.123 18.179 1.00 0.00 H ATOM 883 H GLN A 201 10.770 3.648 14.479 1.00 0.00 H ATOM 884 N VAL A 202 10.645 6.305 11.538 1.00 9.05 N ATOM 885 CA VAL A 202 11.658 6.829 10.639 1.00 8.15 C ATOM 886 C VAL A 202 11.496 8.360 10.592 1.00 9.98 C ATOM 887 O VAL A 202 10.439 8.876 10.171 1.00 10.97 O ATOM 888 CB VAL A 202 11.542 6.269 9.228 1.00 9.51 C ATOM 889 CG1 VAL A 202 12.631 6.876 8.366 1.00 11.03 C ATOM 890 CG2 VAL A 202 11.624 4.726 9.205 1.00 11.18 C ATOM 891 H VAL A 202 9.647 6.361 11.252 1.00 0.00 H ATOM 892 N LEU A 203 12.499 9.085 11.070 1.00 9.11 N ATOM 893 CA LEU A 203 12.509 10.551 11.042 1.00 9.40 C ATOM 894 C LEU A 203 13.441 10.993 9.952 1.00 11.07 C ATOM 895 O LEU A 203 14.583 10.560 9.907 1.00 11.76 O ATOM 896 CB LEU A 203 12.948 11.136 12.393 1.00 12.29 C ATOM 897 CG LEU A 203 13.060 12.667 12.461 1.00 15.70 C ATOM 898 CD1 LEU A 203 11.748 13.332 12.176 1.00 17.52 C ATOM 899 CD2 LEU A 203 13.586 13.104 13.822 1.00 20.10 C ATOM 900 H LEU A 203 13.315 8.591 11.483 1.00 0.00 H ATOM 901 N VAL A 204 12.946 11.796 9.013 1.00 9.41 N ATOM 902 CA VAL A 204 13.793 12.327 7.959 1.00 10.96 C ATOM 903 C VAL A 204 14.500 13.576 8.490 1.00 11.07 C ATOM 904 O VAL A 204 13.870 14.525 8.965 1.00 12.52 O ATOM 905 CB VAL A 204 12.978 12.645 6.695 1.00 11.24 C ATOM 906 CG1 VAL A 204 13.903 13.137 5.553 1.00 13.44 C ATOM 907 CG2 VAL A 204 12.144 11.416 6.276 1.00 12.43 C ATOM 908 H VAL A 204 11.937 12.047 9.034 1.00 0.00 H ATOM 909 N GLU A 205 15.816 13.554 8.466 1.00 11.03 N ATOM 910 CA GLU A 205 16.626 14.698 8.835 1.00 11.80 C ATOM 911 C GLU A 205 17.342 15.201 7.574 1.00 12.71 C ATOM 912 O GLU A 205 17.289 14.567 6.523 1.00 12.07 O ATOM 913 CB GLU A 205 17.591 14.297 9.946 1.00 13.20 C ATOM 914 CG GLU A 205 16.845 13.916 11.213 1.00 15.61 C ATOM 915 CD GLU A 205 17.664 13.957 12.461 1.00 26.29 C ATOM 916 OE1 GLU A 205 18.839 13.542 12.403 1.00 30.21 O ATOM 917 OE2 GLU A 205 17.102 14.368 13.516 1.00 24.96 O ATOM 918 H GLU A 205 16.294 12.679 8.170 1.00 0.00 H ATOM 919 N PRO A 206 17.996 16.367 7.674 1.00 12.31 N ATOM 920 CA PRO A 206 18.574 16.939 6.473 1.00 13.34 C ATOM 921 C PRO A 206 19.593 16.034 5.762 1.00 12.06 C ATOM 922 O PRO A 206 19.601 15.988 4.518 1.00 14.23 O ATOM 923 CB PRO A 206 19.219 18.234 6.981 1.00 13.27 C ATOM 924 CG PRO A 206 18.369 18.623 8.149 1.00 16.43 C ATOM 925 CD PRO A 206 18.032 17.316 8.808 1.00 13.57 C ATOM 926 N ASP A 207 20.390 15.293 6.523 1.00 12.04 N ATOM 927 CA ASP A 207 21.446 14.492 5.924 1.00 11.65 C ATOM 928 C ASP A 207 21.296 12.983 6.068 1.00 10.44 C ATOM 929 O ASP A 207 22.109 12.235 5.523 1.00 11.41 O ATOM 930 CB ASP A 207 22.797 14.949 6.434 1.00 13.48 C ATOM 931 CG ASP A 207 23.153 16.362 5.946 1.00 16.35 C ATOM 932 OD1 ASP A 207 22.789 16.724 4.817 1.00 16.21 O ATOM 933 OD2 ASP A 207 23.755 17.104 6.738 1.00 27.50 O ATOM 934 H ASP A 207 20.258 15.285 7.555 1.00 0.00 H ATOM 935 N HIS A 208 20.265 12.533 6.781 1.00 10.86 N ATOM 936 CA HIS A 208 20.074 11.102 6.949 1.00 10.15 C ATOM 937 C HIS A 208 18.643 10.767 7.326 1.00 9.61 C ATOM 938 O HIS A 208 17.878 11.623 7.765 1.00 11.28 O ATOM 939 CB HIS A 208 21.039 10.543 8.007 1.00 11.14 C ATOM 940 CG HIS A 208 21.082 11.357 9.264 1.00 11.42 C ATOM 941 ND1 HIS A 208 22.134 12.193 9.563 1.00 14.06 N ATOM 942 CD2 HIS A 208 20.195 11.484 10.280 1.00 14.76 C ATOM 943 CE1 HIS A 208 21.892 12.805 10.709 1.00 13.48 C ATOM 944 NE2 HIS A 208 20.723 12.396 11.164 1.00 16.52 N ATOM 945 H HIS A 208 19.599 13.203 7.216 1.00 0.00 H ATOM 946 N PHE A 209 18.290 9.504 7.122 1.00 8.95 N ATOM 947 CA PHE A 209 17.125 8.907 7.759 1.00 9.36 C ATOM 948 C PHE A 209 17.560 8.428 9.140 1.00 9.95 C ATOM 949 O PHE A 209 18.601 7.791 9.267 1.00 10.81 O ATOM 950 CB PHE A 209 16.627 7.691 6.991 1.00 10.15 C ATOM 951 CG PHE A 209 16.074 7.988 5.620 1.00 10.58 C ATOM 952 CD1 PHE A 209 14.750 8.369 5.454 1.00 13.37 C ATOM 953 CD2 PHE A 209 16.872 7.828 4.483 1.00 12.49 C ATOM 954 CE1 PHE A 209 14.247 8.589 4.188 1.00 16.38 C ATOM 955 CE2 PHE A 209 16.369 8.083 3.237 1.00 12.34 C ATOM 956 CZ PHE A 209 15.073 8.442 3.090 1.00 12.59 C ATOM 957 H PHE A 209 18.867 8.919 6.484 1.00 0.00 H ATOM 958 N LYS A 210 16.783 8.755 10.159 1.00 8.87 N ATOM 959 CA LYS A 210 17.029 8.311 11.525 1.00 10.44 C ATOM 960 C LYS A 210 15.975 7.295 11.935 1.00 11.55 C ATOM 961 O LYS A 210 14.780 7.609 11.860 1.00 11.56 O ATOM 962 CB LYS A 210 17.021 9.526 12.448 1.00 12.63 C ATOM 963 CG LYS A 210 17.520 9.295 13.845 1.00 17.80 C ATOM 964 CD LYS A 210 17.699 10.616 14.600 1.00 19.49 C ATOM 965 CE LYS A 210 16.342 11.173 15.088 1.00 22.64 C ATOM 966 NZ LYS A 210 16.486 12.559 15.730 1.00 23.47 N ATOM 967 HZ1 LYS A 210 17.125 12.496 16.548 1.00 0.00 H ATOM 968 HZ2 LYS A 210 16.878 13.224 15.033 1.00 0.00 H ATOM 969 HZ3 LYS A 210 15.552 12.894 16.042 1.00 0.00 H ATOM 970 H LYS A 210 15.956 9.359 9.977 1.00 0.00 H ATOM 971 N VAL A 211 16.378 6.103 12.368 1.00 9.87 N ATOM 972 CA VAL A 211 15.454 5.017 12.671 1.00 9.21 C ATOM 973 C VAL A 211 15.494 4.695 14.161 1.00 10.41 C ATOM 974 O VAL A 211 16.560 4.458 14.709 1.00 11.14 O ATOM 975 CB VAL A 211 15.783 3.745 11.876 1.00 10.05 C ATOM 976 CG1 VAL A 211 14.803 2.643 12.204 1.00 12.11 C ATOM 977 CG2 VAL A 211 15.742 4.045 10.360 1.00 11.31 C ATOM 978 H VAL A 211 17.397 5.939 12.496 1.00 0.00 H ATOM 979 N ALA A 212 14.319 4.671 14.785 1.00 9.69 N ATOM 980 CA ALA A 212 14.129 4.223 16.180 1.00 9.71 C ATOM 981 C ALA A 212 13.158 3.056 16.211 1.00 10.13 C ATOM 982 O ALA A 212 12.164 3.054 15.479 1.00 12.28 O ATOM 983 CB ALA A 212 13.642 5.377 17.059 1.00 12.23 C ATOM 984 H ALA A 212 13.481 4.988 14.257 1.00 0.00 H ATOM 985 N VAL A 213 13.415 2.046 17.042 1.00 8.74 N ATOM 986 CA VAL A 213 12.497 0.935 17.209 1.00 8.25 C ATOM 987 C VAL A 213 12.132 0.875 18.690 1.00 11.08 C ATOM 988 O VAL A 213 13.024 0.887 19.576 1.00 12.04 O ATOM 989 CB VAL A 213 13.097 -0.405 16.726 1.00 9.52 C ATOM 990 CG1 VAL A 213 12.128 -1.568 16.996 1.00 12.36 C ATOM 991 CG2 VAL A 213 13.444 -0.297 15.245 1.00 12.58 C ATOM 992 H VAL A 213 14.301 2.055 17.587 1.00 0.00 H ATOM 993 N ASN A 214 10.837 0.810 18.964 1.00 9.50 N ATOM 994 CA ASN A 214 10.347 0.751 20.345 1.00 10.08 C ATOM 995 C ASN A 214 10.941 1.867 21.197 1.00 12.15 C ATOM 996 O ASN A 214 11.344 1.655 22.349 1.00 14.81 O ATOM 997 CB ASN A 214 10.610 -0.635 20.950 1.00 10.58 C ATOM 998 CG ASN A 214 9.934 -1.762 20.169 1.00 11.16 C ATOM 999 OD1 ASN A 214 9.036 -1.518 19.357 1.00 11.91 O ATOM 1000 ND2 ASN A 214 10.375 -2.993 20.400 1.00 13.98 N ATOM 1001 HD22 ASN A 214 11.134 -3.152 21.093 1.00 0.00 H ATOM 1002 HD21 ASN A 214 9.962 -3.798 19.888 1.00 0.00 H ATOM 1003 H ASN A 214 10.152 0.801 18.181 1.00 0.00 H ATOM 1004 N ASP A 215 10.978 3.052 20.602 1.00 12.07 N ATOM 1005 CA ASP A 215 11.433 4.284 21.242 1.00 13.52 C ATOM 1006 C ASP A 215 12.924 4.388 21.541 1.00 15.31 C ATOM 1007 O ASP A 215 13.343 5.335 22.234 1.00 18.06 O ATOM 1008 CB ASP A 215 10.597 4.589 22.495 1.00 16.03 C ATOM 1009 CG ASP A 215 9.138 4.849 22.172 1.00 16.81 C ATOM 1010 OD1 ASP A 215 8.865 5.685 21.302 1.00 22.97 O ATOM 1011 OD2 ASP A 215 8.272 4.217 22.795 1.00 26.90 O ATOM 1012 H ASP A 215 10.662 3.108 19.613 1.00 0.00 H ATOM 1013 N ALA A 216 13.727 3.438 21.052 1.00 13.78 N ATOM 1014 CA ALA A 216 15.184 3.475 21.203 1.00 13.82 C ATOM 1015 C ALA A 216 15.840 3.718 19.857 1.00 12.12 C ATOM 1016 O ALA A 216 15.520 3.034 18.889 1.00 12.60 O ATOM 1017 CB ALA A 216 15.684 2.191 21.806 1.00 16.04 C ATOM 1018 H ALA A 216 13.299 2.638 20.543 1.00 0.00 H ATOM 1019 N HIS A 217 16.765 4.673 19.795 1.00 13.47 N ATOM 1020 CA HIS A 217 17.522 4.926 18.586 1.00 12.23 C ATOM 1021 C HIS A 217 18.241 3.653 18.118 1.00 12.67 C ATOM 1022 O HIS A 217 18.879 2.956 18.920 1.00 14.91 O ATOM 1023 CB HIS A 217 18.569 6.015 18.847 1.00 13.24 C ATOM 1024 CG HIS A 217 19.445 6.270 17.675 1.00 14.49 C ATOM 1025 ND1 HIS A 217 18.994 6.906 16.544 1.00 18.36 N ATOM 1026 CD2 HIS A 217 20.722 5.906 17.423 1.00 17.37 C ATOM 1027 CE1 HIS A 217 19.976 6.973 15.664 1.00 18.37 C ATOM 1028 NE2 HIS A 217 21.037 6.376 16.176 1.00 18.58 N ATOM 1029 H HIS A 217 16.949 5.254 20.638 1.00 0.00 H ATOM 1030 N LEU A 218 18.176 3.388 16.816 1.00 10.88 N ATOM 1031 CA LEU A 218 18.770 2.209 16.220 1.00 11.25 C ATOM 1032 C LEU A 218 19.912 2.546 15.271 1.00 11.62 C ATOM 1033 O LEU A 218 21.026 2.059 15.447 1.00 13.82 O ATOM 1034 CB LEU A 218 17.726 1.372 15.489 1.00 11.20 C ATOM 1035 CG LEU A 218 18.271 0.129 14.808 1.00 13.46 C ATOM 1036 CD1 LEU A 218 18.923 -0.823 15.799 1.00 16.70 C ATOM 1037 CD2 LEU A 218 17.141 -0.561 14.057 1.00 16.35 C ATOM 1038 H LEU A 218 17.676 4.058 16.198 1.00 0.00 H ATOM 1039 N LEU A 219 19.635 3.343 14.243 1.00 10.91 N ATOM 1040 CA LEU A 219 20.641 3.648 13.244 1.00 10.44 C ATOM 1041 C LEU A 219 20.292 4.904 12.459 1.00 9.77 C ATOM 1042 O LEU A 219 19.157 5.410 12.514 1.00 10.67 O ATOM 1043 CB LEU A 219 20.845 2.457 12.305 1.00 11.22 C ATOM 1044 CG LEU A 219 19.663 2.014 11.447 1.00 13.00 C ATOM 1045 CD1 LEU A 219 19.489 2.894 10.194 1.00 14.01 C ATOM 1046 CD2 LEU A 219 19.848 0.553 11.021 1.00 14.83 C ATOM 1047 H LEU A 219 18.683 3.753 14.154 1.00 0.00 H ATOM 1048 N GLN A 220 21.292 5.445 11.774 1.00 10.32 N ATOM 1049 CA GLN A 220 21.113 6.513 10.796 1.00 11.36 C ATOM 1050 C GLN A 220 21.656 6.048 9.453 1.00 11.11 C ATOM 1051 O GLN A 220 22.629 5.291 9.406 1.00 15.34 O ATOM 1052 CB GLN A 220 21.802 7.807 11.215 1.00 16.86 C ATOM 1053 CG GLN A 220 21.440 8.311 12.566 1.00 21.56 C ATOM 1054 CD GLN A 220 22.197 9.565 12.999 1.00 29.04 C ATOM 1055 OE1 GLN A 220 21.830 10.179 13.999 1.00 36.58 O ATOM 1056 NE2 GLN A 220 23.252 9.942 12.266 1.00 29.80 N ATOM 1057 HE22 GLN A 220 23.526 9.391 11.427 1.00 0.00 H ATOM 1058 HE21 GLN A 220 23.798 10.785 12.535 1.00 0.00 H ATOM 1059 H GLN A 220 22.254 5.089 11.943 1.00 0.00 H ATOM 1060 N TYR A 221 21.047 6.527 8.377 1.00 10.84 N ATOM 1061 CA TYR A 221 21.442 6.164 7.024 1.00 10.70 C ATOM 1062 C TYR A 221 21.578 7.446 6.216 1.00 10.19 C ATOM 1063 O TYR A 221 20.595 8.132 5.965 1.00 10.25 O ATOM 1064 CB TYR A 221 20.410 5.223 6.411 1.00 9.02 C ATOM 1065 CG TYR A 221 20.797 4.602 5.082 1.00 9.55 C ATOM 1066 CD1 TYR A 221 21.580 3.467 5.039 1.00 9.86 C ATOM 1067 CD2 TYR A 221 20.398 5.159 3.881 1.00 10.06 C ATOM 1068 CE1 TYR A 221 21.934 2.901 3.848 1.00 10.38 C ATOM 1069 CE2 TYR A 221 20.749 4.588 2.650 1.00 10.58 C ATOM 1070 CZ TYR A 221 21.500 3.448 2.659 1.00 9.94 C ATOM 1071 OH TYR A 221 21.842 2.848 1.471 1.00 11.11 O ATOM 1072 HH TYR A 221 21.019 2.593 0.983 1.00 0.00 H ATOM 1073 H TYR A 221 20.255 7.189 8.505 1.00 0.00 H ATOM 1074 N ASN A 222 22.807 7.777 5.856 1.00 10.79 N ATOM 1075 CA ASN A 222 23.104 8.990 5.093 1.00 10.59 C ATOM 1076 C ASN A 222 22.424 8.966 3.750 1.00 10.91 C ATOM 1077 O ASN A 222 22.412 7.936 3.081 1.00 11.99 O ATOM 1078 CB ASN A 222 24.628 9.108 4.895 1.00 10.88 C ATOM 1079 CG ASN A 222 25.069 10.485 4.356 1.00 19.26 C ATOM 1080 OD1 ASN A 222 25.421 10.641 3.169 1.00 25.73 O ATOM 1081 ND2 ASN A 222 25.055 11.480 5.230 1.00 20.91 N ATOM 1082 HD22 ASN A 222 24.754 11.307 6.210 1.00 0.00 H ATOM 1083 HD21 ASN A 222 25.345 12.435 4.936 1.00 0.00 H ATOM 1084 H ASN A 222 23.593 7.151 6.126 1.00 0.00 H ATOM 1085 N HIS A 223 21.851 10.091 3.328 1.00 9.41 N ATOM 1086 CA HIS A 223 21.191 10.151 2.025 1.00 8.76 C ATOM 1087 C HIS A 223 22.135 9.908 0.861 1.00 11.35 C ATOM 1088 O HIS A 223 23.035 10.717 0.606 1.00 12.59 O ATOM 1089 CB HIS A 223 20.491 11.500 1.813 1.00 10.11 C ATOM 1090 CG HIS A 223 19.381 11.782 2.779 1.00 10.42 C ATOM 1091 ND1 HIS A 223 18.311 10.926 2.964 1.00 9.96 N ATOM 1092 CD2 HIS A 223 19.180 12.813 3.639 1.00 10.68 C ATOM 1093 CE1 HIS A 223 17.487 11.434 3.861 1.00 12.39 C ATOM 1094 NE2 HIS A 223 17.984 12.584 4.282 1.00 13.89 N ATOM 1095 H HIS A 223 21.873 10.937 3.932 1.00 0.00 H ATOM 1096 N ARG A 224 21.898 8.845 0.106 1.00 10.49 N ATOM 1097 CA ARG A 224 22.617 8.578 -1.136 1.00 10.56 C ATOM 1098 C ARG A 224 21.861 9.114 -2.345 1.00 9.84 C ATOM 1099 O ARG A 224 22.476 9.667 -3.257 1.00 12.00 O ATOM 1100 CB ARG A 224 22.825 7.079 -1.308 1.00 10.89 C ATOM 1101 CG ARG A 224 23.606 6.438 -0.209 1.00 12.22 C ATOM 1102 CD ARG A 224 23.980 4.995 -0.547 1.00 11.75 C ATOM 1103 NE ARG A 224 24.523 4.253 0.591 1.00 11.19 N ATOM 1104 CZ ARG A 224 24.768 2.942 0.599 1.00 11.41 C ATOM 1105 NH1 ARG A 224 24.551 2.192 -0.472 1.00 11.81 N ATOM 1106 NH2 ARG A 224 25.179 2.366 1.710 1.00 14.31 N ATOM 1107 HE ARG A 224 24.734 4.787 1.458 1.00 0.00 H ATOM 1108 HH12 ARG A 224 24.750 1.172 -0.441 1.00 0.00 H ATOM 1109 HH11 ARG A 224 24.182 2.624 -1.343 1.00 0.00 H ATOM 1110 HH22 ARG A 224 25.372 1.344 1.725 1.00 0.00 H ATOM 1111 HH21 ARG A 224 25.310 2.933 2.572 1.00 0.00 H ATOM 1112 H ARG A 224 21.167 8.171 0.412 1.00 0.00 H ATOM 1113 N VAL A 225 20.541 8.964 -2.339 1.00 10.41 N ATOM 1114 CA VAL A 225 19.632 9.606 -3.290 1.00 8.48 C ATOM 1115 C VAL A 225 19.316 10.998 -2.755 1.00 9.91 C ATOM 1116 O VAL A 225 18.825 11.130 -1.610 1.00 13.49 O ATOM 1117 CB VAL A 225 18.363 8.763 -3.472 1.00 9.54 C ATOM 1118 CG1 VAL A 225 17.289 9.527 -4.293 1.00 11.85 C ATOM 1119 CG2 VAL A 225 18.711 7.408 -4.094 1.00 13.25 C ATOM 1120 H VAL A 225 20.126 8.349 -1.610 1.00 0.00 H ATOM 1121 N LYS A 226 19.617 12.027 -3.548 1.00 10.23 N ATOM 1122 CA LYS A 226 19.601 13.397 -3.026 1.00 11.59 C ATOM 1123 C LYS A 226 18.360 14.190 -3.377 1.00 11.69 C ATOM 1124 O LYS A 226 18.109 15.210 -2.755 1.00 12.14 O ATOM 1125 CB LYS A 226 20.875 14.115 -3.424 1.00 14.37 C ATOM 1126 CG LYS A 226 22.051 13.346 -2.708 1.00 18.95 C ATOM 1127 CD LYS A 226 23.342 13.961 -2.729 1.00 21.07 C ATOM 1128 CE LYS A 226 24.361 12.963 -2.254 1.00 13.48 C ATOM 1129 NZ LYS A 226 24.510 12.875 -0.762 1.00 12.12 N ATOM 1130 HZ1 LYS A 226 24.800 13.801 -0.389 1.00 0.00 H ATOM 1131 HZ2 LYS A 226 23.600 12.599 -0.340 1.00 0.00 H ATOM 1132 HZ3 LYS A 226 25.232 12.164 -0.528 1.00 0.00 H ATOM 1133 H LYS A 226 19.865 11.857 -4.544 1.00 0.00 H ATOM 1134 N LYS A 227 17.563 13.686 -4.308 1.00 9.84 N ATOM 1135 CA LYS A 227 16.302 14.317 -4.702 1.00 10.49 C ATOM 1136 C LYS A 227 15.199 13.805 -3.777 1.00 11.49 C ATOM 1137 O LYS A 227 14.402 12.917 -4.115 1.00 10.74 O ATOM 1138 CB LYS A 227 16.012 14.020 -6.179 1.00 11.39 C ATOM 1139 CG LYS A 227 17.039 14.662 -7.127 1.00 14.49 C ATOM 1140 CD LYS A 227 16.856 14.178 -8.567 1.00 18.81 C ATOM 1141 CE LYS A 227 17.756 14.908 -9.555 1.00 22.99 C ATOM 1142 NZ LYS A 227 17.860 14.188 -10.879 1.00 20.80 N ATOM 1143 HZ1 LYS A 227 18.254 13.238 -10.726 1.00 0.00 H ATOM 1144 HZ2 LYS A 227 16.914 14.108 -11.304 1.00 0.00 H ATOM 1145 HZ3 LYS A 227 18.483 14.724 -11.516 1.00 0.00 H ATOM 1146 H LYS A 227 17.846 12.803 -4.780 1.00 0.00 H ATOM 1147 N LEU A 228 15.167 14.342 -2.569 1.00 10.18 N ATOM 1148 CA LEU A 228 14.257 13.876 -1.511 1.00 11.30 C ATOM 1149 C LEU A 228 12.796 14.017 -1.920 1.00 10.37 C ATOM 1150 O LEU A 228 11.957 13.154 -1.576 1.00 11.51 O ATOM 1151 CB LEU A 228 14.493 14.602 -0.193 1.00 16.44 C ATOM 1152 CG LEU A 228 15.884 14.500 0.489 1.00 16.09 C ATOM 1153 CD1 LEU A 228 15.904 15.225 1.846 1.00 18.20 C ATOM 1154 CD2 LEU A 228 16.343 13.106 0.569 1.00 15.97 C ATOM 1155 H LEU A 228 15.814 15.129 -2.357 1.00 0.00 H ATOM 1156 N ASN A 229 12.481 15.066 -2.667 1.00 11.98 N ATOM 1157 CA ASN A 229 11.132 15.322 -3.160 1.00 12.70 C ATOM 1158 C ASN A 229 10.629 14.253 -4.126 1.00 11.95 C ATOM 1159 O ASN A 229 9.453 14.231 -4.442 1.00 15.02 O ATOM 1160 CB ASN A 229 11.062 16.709 -3.849 1.00 14.97 C ATOM 1161 CG ASN A 229 11.947 16.787 -5.098 1.00 15.72 C ATOM 1162 OD1 ASN A 229 13.159 16.578 -5.034 1.00 25.83 O ATOM 1163 ND2 ASN A 229 11.339 17.085 -6.235 1.00 33.63 N ATOM 1164 HD22 ASN A 229 10.313 17.255 -6.247 1.00 0.00 H ATOM 1165 HD21 ASN A 229 11.887 17.150 -7.116 1.00 0.00 H ATOM 1166 H ASN A 229 13.233 15.740 -2.914 1.00 0.00 H ATOM 1167 N GLU A 230 11.523 13.404 -4.630 1.00 9.88 N ATOM 1168 CA GLU A 230 11.141 12.384 -5.609 1.00 10.63 C ATOM 1169 C GLU A 230 10.998 11.001 -4.968 1.00 9.40 C ATOM 1170 O GLU A 230 10.602 10.055 -5.642 1.00 10.06 O ATOM 1171 CB GLU A 230 12.143 12.351 -6.776 1.00 11.08 C ATOM 1172 CG GLU A 230 12.108 13.640 -7.571 1.00 11.45 C ATOM 1173 CD GLU A 230 12.972 13.641 -8.803 1.00 15.21 C ATOM 1174 OE1 GLU A 230 13.600 12.612 -9.099 1.00 15.53 O ATOM 1175 OE2 GLU A 230 13.009 14.694 -9.497 1.00 17.99 O ATOM 1176 H GLU A 230 12.514 13.467 -4.321 1.00 0.00 H ATOM 1177 N ILE A 231 11.280 10.885 -3.670 1.00 9.96 N ATOM 1178 CA ILE A 231 11.124 9.647 -2.916 1.00 9.72 C ATOM 1179 C ILE A 231 9.675 9.643 -2.420 1.00 10.26 C ATOM 1180 O ILE A 231 9.396 10.142 -1.330 1.00 11.76 O ATOM 1181 CB ILE A 231 12.131 9.578 -1.754 1.00 9.76 C ATOM 1182 CG1 ILE A 231 13.553 9.672 -2.286 1.00 9.98 C ATOM 1183 CG2 ILE A 231 11.972 8.264 -0.953 1.00 12.02 C ATOM 1184 CD1 ILE A 231 14.575 9.853 -1.154 1.00 11.92 C ATOM 1185 H ILE A 231 11.631 11.725 -3.167 1.00 0.00 H ATOM 1186 N SER A 232 8.772 9.091 -3.224 1.00 9.87 N ATOM 1187 CA SER A 232 7.351 9.368 -3.028 1.00 9.78 C ATOM 1188 C SER A 232 6.501 8.141 -2.720 1.00 10.25 C ATOM 1189 O SER A 232 5.274 8.239 -2.706 1.00 10.25 O ATOM 1190 CB SER A 232 6.806 10.125 -4.237 1.00 11.99 C ATOM 1191 OG SER A 232 6.930 9.356 -5.415 1.00 14.70 O ATOM 1192 HG SER A 232 7.885 9.149 -5.574 1.00 0.00 H ATOM 1193 H SER A 232 9.077 8.461 -3.993 1.00 0.00 H ATOM 1194 N LYS A 233 7.131 7.016 -2.420 1.00 8.59 N ATOM 1195 CA LYS A 233 6.415 5.819 -2.012 1.00 10.05 C ATOM 1196 C LYS A 233 7.209 5.048 -0.976 1.00 9.59 C ATOM 1197 O LYS A 233 8.434 4.981 -1.060 1.00 9.61 O ATOM 1198 CB LYS A 233 6.155 4.886 -3.201 1.00 13.77 C ATOM 1199 CG LYS A 233 5.341 5.458 -4.332 1.00 22.89 C ATOM 1200 CD LYS A 233 4.940 4.380 -5.338 1.00 30.02 C ATOM 1201 CE LYS A 233 3.941 4.912 -6.368 1.00 36.49 C ATOM 1202 NZ LYS A 233 4.238 6.301 -6.809 1.00 43.11 N ATOM 1203 HZ1 LYS A 233 4.212 6.938 -5.987 1.00 0.00 H ATOM 1204 HZ2 LYS A 233 5.183 6.331 -7.242 1.00 0.00 H ATOM 1205 HZ3 LYS A 233 3.526 6.602 -7.505 1.00 0.00 H ATOM 1206 H LYS A 233 8.169 6.988 -2.478 1.00 0.00 H ATOM 1207 N LEU A 234 6.535 4.474 -0.001 1.00 9.33 N ATOM 1208 CA LEU A 234 7.105 3.536 0.956 1.00 8.25 C ATOM 1209 C LEU A 234 6.417 2.197 0.835 1.00 9.10 C ATOM 1210 O LEU A 234 5.194 2.109 1.000 1.00 12.99 O ATOM 1211 CB LEU A 234 6.952 4.040 2.387 1.00 10.23 C ATOM 1212 CG LEU A 234 7.318 3.068 3.508 1.00 9.93 C ATOM 1213 CD1 LEU A 234 8.793 2.662 3.447 1.00 14.23 C ATOM 1214 CD2 LEU A 234 7.044 3.730 4.844 1.00 17.65 C ATOM 1215 H LEU A 234 5.526 4.707 0.092 1.00 0.00 H ATOM 1216 N GLY A 235 7.200 1.157 0.536 1.00 9.31 N ATOM 1217 CA GLY A 235 6.723 -0.211 0.515 1.00 8.71 C ATOM 1218 C GLY A 235 7.075 -0.928 1.793 1.00 9.99 C ATOM 1219 O GLY A 235 8.199 -0.818 2.288 1.00 10.90 O ATOM 1220 H GLY A 235 8.198 1.338 0.308 1.00 0.00 H ATOM 1221 N ILE A 236 6.133 -1.674 2.338 1.00 10.09 N ATOM 1222 CA ILE A 236 6.342 -2.421 3.578 1.00 10.94 C ATOM 1223 C ILE A 236 6.035 -3.880 3.269 1.00 13.25 C ATOM 1224 O ILE A 236 4.924 -4.190 2.827 1.00 14.84 O ATOM 1225 CB ILE A 236 5.409 -1.916 4.713 1.00 11.59 C ATOM 1226 CG1 ILE A 236 5.600 -0.418 4.973 1.00 14.18 C ATOM 1227 CG2 ILE A 236 5.667 -2.728 6.012 1.00 15.09 C ATOM 1228 CD1 ILE A 236 4.484 0.252 5.800 1.00 18.78 C ATOM 1229 H ILE A 236 5.207 -1.733 1.868 1.00 0.00 H ATOM 1230 N SER A 237 6.996 -4.773 3.480 1.00 12.53 N ATOM 1231 CA SER A 237 6.819 -6.188 3.164 1.00 12.41 C ATOM 1232 C SER A 237 7.469 -7.067 4.210 1.00 12.79 C ATOM 1233 O SER A 237 8.228 -6.585 5.061 1.00 12.40 O ATOM 1234 CB SER A 237 7.366 -6.502 1.782 1.00 17.25 C ATOM 1235 OG SER A 237 8.731 -6.217 1.707 1.00 21.51 O ATOM 1236 HG SER A 237 8.877 -5.256 1.896 1.00 0.00 H ATOM 1237 H SER A 237 7.901 -4.455 3.882 1.00 0.00 H ATOM 1238 N GLY A 238 7.152 -8.352 4.133 1.00 14.10 N ATOM 1239 CA GLY A 238 7.799 -9.352 4.967 1.00 14.44 C ATOM 1240 C GLY A 238 6.877 -10.013 5.961 1.00 14.32 C ATOM 1241 O GLY A 238 5.633 -9.980 5.832 1.00 15.03 O ATOM 1242 H GLY A 238 6.421 -8.653 3.458 1.00 0.00 H ATOM 1243 N ASP A 239 7.493 -10.596 6.986 1.00 13.52 N ATOM 1244 CA ASP A 239 6.809 -11.526 7.852 1.00 13.67 C ATOM 1245 C ASP A 239 6.231 -10.829 9.072 1.00 14.15 C ATOM 1246 O ASP A 239 6.640 -11.068 10.208 1.00 14.58 O ATOM 1247 CB ASP A 239 7.757 -12.657 8.236 1.00 15.15 C ATOM 1248 CG ASP A 239 8.285 -13.417 7.023 1.00 19.13 C ATOM 1249 OD1 ASP A 239 7.517 -13.637 6.063 1.00 21.87 O ATOM 1250 OD2 ASP A 239 9.472 -13.783 7.036 1.00 17.12 O ATOM 1251 H ASP A 239 8.493 -10.376 7.168 1.00 0.00 H ATOM 1252 N ILE A 240 5.274 -9.947 8.812 1.00 13.87 N ATOM 1253 CA ILE A 240 4.636 -9.156 9.841 1.00 14.32 C ATOM 1254 C ILE A 240 3.138 -9.104 9.642 1.00 15.49 C ATOM 1255 O ILE A 240 2.630 -9.264 8.516 1.00 17.77 O ATOM 1256 CB ILE A 240 5.147 -7.695 9.872 1.00 14.93 C ATOM 1257 CG1 ILE A 240 4.947 -6.980 8.539 1.00 14.29 C ATOM 1258 CG2 ILE A 240 6.631 -7.667 10.251 1.00 13.98 C ATOM 1259 CD1 ILE A 240 5.167 -5.491 8.631 1.00 15.78 C ATOM 1260 H ILE A 240 4.970 -9.819 7.826 1.00 0.00 H ATOM 1261 N ASP A 241 2.445 -8.841 10.737 1.00 13.84 N ATOM 1262 CA ASP A 241 1.062 -8.381 10.705 1.00 16.84 C ATOM 1263 C ASP A 241 1.172 -6.880 10.876 1.00 16.40 C ATOM 1264 O ASP A 241 1.822 -6.394 11.816 1.00 17.57 O ATOM 1265 CB ASP A 241 0.263 -8.990 11.859 1.00 17.99 C ATOM 1266 CG ASP A 241 -0.024 -10.466 11.666 1.00 24.69 C ATOM 1267 OD1 ASP A 241 -0.281 -10.888 10.516 1.00 29.67 O ATOM 1268 OD2 ASP A 241 0.002 -11.200 12.676 1.00 31.75 O ATOM 1269 H ASP A 241 2.906 -8.968 11.660 1.00 0.00 H ATOM 1270 N LEU A 242 0.582 -6.127 9.963 1.00 12.63 N ATOM 1271 CA LEU A 242 0.715 -4.683 9.963 1.00 12.98 C ATOM 1272 C LEU A 242 -0.536 -4.041 10.540 1.00 15.46 C ATOM 1273 O LEU A 242 -1.627 -4.320 10.075 1.00 17.98 O ATOM 1274 CB LEU A 242 0.965 -4.190 8.531 1.00 12.93 C ATOM 1275 CG LEU A 242 1.149 -2.702 8.299 1.00 15.63 C ATOM 1276 CD1 LEU A 242 2.364 -2.100 9.011 1.00 15.65 C ATOM 1277 CD2 LEU A 242 1.284 -2.451 6.801 1.00 18.11 C ATOM 1278 H LEU A 242 0.007 -6.582 9.225 1.00 0.00 H ATOM 1279 N THR A 243 -0.374 -3.213 11.571 1.00 12.21 N ATOM 1280 CA THR A 243 -1.475 -2.573 12.269 1.00 15.66 C ATOM 1281 C THR A 243 -1.760 -1.165 11.756 1.00 16.10 C ATOM 1282 O THR A 243 -2.919 -0.795 11.538 1.00 18.01 O ATOM 1283 CB THR A 243 -1.171 -2.558 13.784 1.00 18.68 C ATOM 1284 OG1 THR A 243 -1.052 -3.912 14.211 1.00 23.66 O ATOM 1285 CG2 THR A 243 -2.260 -1.850 14.563 1.00 24.20 C ATOM 1286 HG1 THR A 243 -0.857 -3.935 15.181 1.00 0.00 H ATOM 1287 H THR A 243 0.594 -3.014 11.894 1.00 0.00 H ATOM 1288 N SER A 244 -0.713 -0.382 11.560 1.00 14.06 N ATOM 1289 CA SER A 244 -0.835 1.019 11.174 1.00 16.45 C ATOM 1290 C SER A 244 0.428 1.481 10.458 1.00 13.94 C ATOM 1291 O SER A 244 1.523 1.050 10.792 1.00 13.34 O ATOM 1292 CB SER A 244 -0.998 1.865 12.463 1.00 17.61 C ATOM 1293 OG SER A 244 -1.216 3.217 12.141 1.00 28.15 O ATOM 1294 HG SER A 244 -0.444 3.561 11.626 1.00 0.00 H ATOM 1295 H SER A 244 0.238 -0.782 11.687 1.00 0.00 H ATOM 1296 N ALA A 245 0.282 2.373 9.471 1.00 12.33 N ATOM 1297 CA ALA A 245 1.409 3.046 8.846 1.00 12.48 C ATOM 1298 C ALA A 245 0.947 4.437 8.494 1.00 14.91 C ATOM 1299 O ALA A 245 -0.036 4.598 7.746 1.00 17.12 O ATOM 1300 CB ALA A 245 1.849 2.276 7.580 1.00 14.54 C ATOM 1301 H ALA A 245 -0.678 2.594 9.137 1.00 0.00 H ATOM 1302 N SER A 246 1.613 5.443 9.040 1.00 12.82 N ATOM 1303 CA SER A 246 1.196 6.837 8.880 1.00 13.87 C ATOM 1304 C SER A 246 2.377 7.769 8.974 1.00 12.46 C ATOM 1305 O SER A 246 3.500 7.354 9.306 1.00 14.57 O ATOM 1306 CB SER A 246 0.173 7.209 9.952 1.00 16.88 C ATOM 1307 OG SER A 246 0.741 7.147 11.243 1.00 22.35 O ATOM 1308 HG SER A 246 1.501 7.779 11.298 1.00 0.00 H ATOM 1309 H SER A 246 2.463 5.235 9.603 1.00 0.00 H ATOM 1310 N TYR A 247 2.138 9.038 8.694 1.00 13.33 N ATOM 1311 CA TYR A 247 3.178 10.053 8.771 1.00 12.61 C ATOM 1312 C TYR A 247 2.590 11.299 9.374 1.00 13.32 C ATOM 1313 O TYR A 247 1.361 11.537 9.358 1.00 13.34 O ATOM 1314 CB TYR A 247 3.814 10.341 7.396 1.00 14.90 C ATOM 1315 CG TYR A 247 2.845 10.573 6.267 1.00 14.29 C ATOM 1316 CD1 TYR A 247 2.165 11.784 6.152 1.00 16.12 C ATOM 1317 CD2 TYR A 247 2.581 9.599 5.325 1.00 14.94 C ATOM 1318 CE1 TYR A 247 1.259 12.008 5.127 1.00 16.22 C ATOM 1319 CE2 TYR A 247 1.666 9.802 4.292 1.00 17.59 C ATOM 1320 CZ TYR A 247 1.001 11.015 4.197 1.00 16.05 C ATOM 1321 OH TYR A 247 0.117 11.231 3.177 1.00 21.22 O ATOM 1322 HH TYR A 247 -0.611 10.561 3.225 1.00 0.00 H ATOM 1323 H TYR A 247 1.178 9.320 8.410 1.00 0.00 H ATOM 1324 N THR A 248 3.485 12.116 9.916 1.00 14.30 N ATOM 1325 CA THR A 248 3.138 13.443 10.390 1.00 15.39 C ATOM 1326 C THR A 248 4.385 14.319 10.301 1.00 15.47 C ATOM 1327 O THR A 248 5.488 13.829 10.050 1.00 16.79 O ATOM 1328 CB THR A 248 2.583 13.398 11.821 1.00 18.20 C ATOM 1329 OG1 THR A 248 1.909 14.627 12.144 1.00 19.46 O ATOM 1330 CG2 THR A 248 3.687 13.148 12.832 1.00 17.79 C ATOM 1331 HG1 THR A 248 1.559 14.577 13.069 1.00 0.00 H ATOM 1332 H THR A 248 4.470 11.794 10.004 1.00 0.00 H ATOM 1333 N MET A 249 4.197 15.620 10.467 1.00 15.67 N ATOM 1334 CA MET A 249 5.282 16.591 10.501 1.00 17.73 C ATOM 1335 C MET A 249 5.489 17.001 11.944 1.00 21.52 C ATOM 1336 O MET A 249 4.525 17.348 12.651 1.00 24.65 O ATOM 1337 CB MET A 249 4.931 17.835 9.675 1.00 19.93 C ATOM 1338 CG MET A 249 4.726 17.609 8.203 1.00 21.27 C ATOM 1339 SD MET A 249 6.181 16.935 7.371 1.00 24.31 S ATOM 1340 CE MET A 249 7.421 18.176 7.737 1.00 28.38 C ATOM 1341 H MET A 249 3.223 15.966 10.579 1.00 0.00 H ATOM 1342 N ILE A 250 6.737 16.952 12.390 1.00 19.96 N ATOM 1343 CA ILE A 250 7.081 17.385 13.742 1.00 21.55 C ATOM 1344 C ILE A 250 7.824 18.712 13.700 1.00 24.07 C ATOM 1345 O ILE A 250 8.082 19.292 12.646 1.00 21.79 O ATOM 1346 CB ILE A 250 7.868 16.309 14.503 1.00 22.30 C ATOM 1347 CG1 ILE A 250 9.275 16.106 13.921 1.00 25.80 C ATOM 1348 CG2 ILE A 250 7.075 14.986 14.508 1.00 25.69 C ATOM 1349 CD1 ILE A 250 10.150 15.221 14.774 1.00 31.68 C ATOM 1350 OXT ILE A 250 8.146 19.258 14.755 1.00 28.57 O ATOM 1351 H ILE A 250 7.487 16.597 11.763 1.00 0.00 H TER 1352 ILE A 250 HETATM 1353 O HOH 1 26.146 13.529 5.797 1.00 31.28 O HETATM 1354 O HOH 2 4.915 -2.827 -1.273 1.00 37.88 O HETATM 1355 O HOH 3 5.652 0.821 -3.019 1.00 42.27 O HETATM 1356 O HOH 4 13.803 -3.356 -10.015 1.00 35.84 O HETATM 1357 O HOH 5 21.209 6.071 -14.804 1.00 40.03 O HETATM 1358 O HOH 6 9.083 -3.504 1.046 1.00 14.81 O HETATM 1359 O HOH 7 13.693 17.060 -8.695 1.00 38.57 O HETATM 1360 O HOH 8 10.381 -1.402 -8.946 1.00 26.74 O HETATM 1361 O HOH 9 -1.207 -7.581 8.109 1.00 19.94 O HETATM 1362 O HOH 10 29.726 -0.818 5.087 1.00 33.04 O HETATM 1363 O HOH 11 12.382 -16.016 13.740 1.00 29.90 O HETATM 1364 O HOH 12 5.132 8.055 16.493 1.00 32.63 O HETATM 1365 O HOH 13 22.290 -9.564 16.377 1.00 24.01 O HETATM 1366 O HOH 14 12.258 -5.452 -0.435 1.00 21.90 O HETATM 1367 O HOH 15 18.916 5.710 -11.407 1.00 17.63 O HETATM 1368 O HOH 16 15.202 16.196 13.705 1.00 26.66 O HETATM 1369 O HOH 17 25.212 -13.254 9.092 1.00 21.79 O HETATM 1370 O HOH 18 1.550 9.352 12.497 1.00 25.19 O HETATM 1371 O HOH 19 23.268 2.710 8.339 1.00 19.39 O HETATM 1372 O HOH 20 0.484 -10.198 7.232 1.00 33.57 O HETATM 1373 O HOH 21 17.940 4.639 -15.542 1.00 25.97 O HETATM 1374 O HOH 22 22.966 19.654 6.929 1.00 33.65 O HETATM 1375 O HOH 23 19.825 0.552 19.656 1.00 43.07 O HETATM 1376 O HOH 24 11.327 -2.426 -5.207 1.00 45.08 O HETATM 1377 O HOH 25 17.845 12.434 18.045 1.00 22.65 O HETATM 1378 O HOH 26 10.653 20.775 6.683 1.00 29.47 O HETATM 1379 O HOH 27 1.111 4.501 12.594 1.00 19.59 O HETATM 1380 O HOH 28 4.271 9.428 12.465 1.00 16.47 O HETATM 1381 O HOH 29 10.855 15.100 -11.100 1.00 34.68 O HETATM 1382 O HOH 30 10.239 3.826 17.915 1.00 11.42 O HETATM 1383 O HOH 31 12.891 7.526 23.800 1.00 35.24 O HETATM 1384 O HOH 32 25.004 6.035 6.577 1.00 13.96 O HETATM 1385 O HOH 33 25.182 9.279 -3.376 1.00 25.71 O HETATM 1386 O HOH 34 21.820 -1.319 -14.761 1.00 36.71 O HETATM 1387 O HOH 35 19.395 7.388 0.061 1.00 9.96 O HETATM 1388 O HOH 36 17.597 7.411 -7.545 1.00 16.45 O HETATM 1389 O HOH 37 29.178 -3.921 3.244 1.00 21.92 O HETATM 1390 O HOH 38 2.412 16.418 14.164 1.00 37.19 O HETATM 1391 O HOH 39 23.787 -13.044 2.791 1.00 38.47 O HETATM 1392 O HOH 40 12.838 -1.611 -7.301 1.00 31.81 O HETATM 1393 O HOH 41 9.349 17.092 -0.415 1.00 33.61 O HETATM 1394 O HOH 42 -2.358 -9.618 9.218 1.00 41.00 O HETATM 1395 O HOH 43 4.800 -13.948 5.695 1.00 39.95 O HETATM 1396 O HOH 44 0.151 -7.911 18.832 1.00 36.82 O HETATM 1397 O HOH 45 19.712 3.444 21.520 1.00 31.86 O HETATM 1398 O HOH 46 15.885 1.963 -11.915 1.00 12.35 O HETATM 1399 O HOH 47 24.372 5.835 3.091 1.00 12.11 O HETATM 1400 O HOH 48 23.799 1.373 -10.401 1.00 34.73 O HETATM 1401 O HOH 49 13.317 -13.512 17.219 1.00 26.40 O HETATM 1402 O HOH 50 7.933 3.663 -7.016 1.00 41.37 O HETATM 1403 O HOH 51 12.360 17.565 0.075 1.00 26.79 O HETATM 1404 O HOH 52 14.852 14.294 -11.596 1.00 17.69 O HETATM 1405 O HOH 53 19.695 12.341 -9.788 1.00 21.38 O HETATM 1406 O HOH 54 -0.418 -6.408 -1.586 1.00 40.62 O HETATM 1407 O HOH 55 3.410 -11.506 4.983 1.00 42.62 O HETATM 1408 O HOH 56 -0.526 8.678 1.791 1.00 19.15 O HETATM 1409 O HOH 57 23.593 5.985 15.019 1.00 32.04 O HETATM 1410 O HOH 58 15.734 -8.435 20.372 1.00 40.41 O HETATM 1411 O HOH 59 19.097 18.492 3.267 1.00 14.52 O HETATM 1412 O HOH 60 16.749 -14.187 7.513 1.00 17.36 O HETATM 1413 O HOH 61 16.777 0.370 -9.149 1.00 11.23 O HETATM 1414 O HOH 62 2.508 7.851 -8.462 1.00 49.37 O HETATM 1415 O HOH 63 -2.388 11.847 1.959 1.00 31.66 O HETATM 1416 O HOH 64 22.224 1.146 17.872 1.00 39.86 O HETATM 1417 O HOH 65 9.678 -5.614 19.502 1.00 21.07 O HETATM 1418 O HOH 66 24.737 -9.969 13.544 1.00 40.44 O HETATM 1419 O HOH 67 17.770 9.507 0.539 1.00 10.86 O HETATM 1420 O HOH 68 17.791 10.923 -12.294 1.00 35.99 O HETATM 1421 O HOH 69 25.942 10.430 -0.324 1.00 25.18 O HETATM 1422 O HOH 70 -0.683 -10.453 15.369 1.00 41.42 O HETATM 1423 O HOH 71 21.675 5.940 -11.393 1.00 43.87 O HETATM 1424 O HOH 72 22.958 -12.846 15.873 1.00 22.37 O HETATM 1425 O HOH 73 21.703 19.251 3.952 1.00 14.72 O HETATM 1426 O HOH 74 8.434 7.081 -6.363 1.00 20.54 O HETATM 1427 O HOH 75 -1.778 6.565 6.540 1.00 39.24 O HETATM 1428 O HOH 76 11.329 23.031 12.918 1.00 45.91 O HETATM 1429 O HOH 77 26.881 3.038 8.583 1.00 36.81 O HETATM 1430 O HOH 78 21.372 -18.140 5.948 1.00 38.16 O HETATM 1431 O HOH 79 8.766 -13.156 3.463 1.00 54.43 O HETATM 1432 O HOH 80 -1.054 -1.080 -0.454 1.00 21.02 O HETATM 1433 O HOH 81 26.297 -21.179 11.171 1.00 32.18 O HETATM 1434 O HOH 82 27.203 2.065 -2.846 1.00 22.13 O HETATM 1435 O HOH 83 9.400 -7.273 17.466 1.00 12.35 O HETATM 1436 O HOH 84 15.701 -11.661 -2.067 1.00 46.18 O HETATM 1437 O HOH 85 22.488 8.429 -5.952 1.00 26.46 O HETATM 1438 O HOH 86 5.462 -9.424 1.941 1.00 21.89 O HETATM 1439 O HOH 87 14.444 -1.187 21.156 1.00 30.02 O HETATM 1440 O HOH 88 14.025 16.311 11.333 1.00 25.26 O HETATM 1441 O HOH 89 23.878 2.995 -14.358 1.00 47.10 O HETATM 1442 O HOH 90 16.147 7.831 16.543 1.00 22.00 O HETATM 1443 O HOH 91 16.994 6.727 21.965 1.00 24.12 O HETATM 1444 O HOH 92 7.038 20.965 10.388 1.00 44.05 O HETATM 1445 O HOH 93 23.446 -6.811 -2.602 1.00 21.00 O HETATM 1446 O HOH 94 16.540 -7.266 -5.427 1.00 32.03 O HETATM 1447 O HOH 95 24.037 4.345 12.374 1.00 19.23 O HETATM 1448 O HOH 96 22.811 -5.905 -7.542 1.00 20.77 O HETATM 1449 O HOH 97 16.087 0.068 18.931 1.00 29.07 O HETATM 1450 O HOH 98 20.932 15.953 9.425 1.00 23.29 O HETATM 1451 O HOH 99 13.003 2.665 24.669 1.00 40.38 O HETATM 1452 O HOH 100 26.881 -9.102 9.274 1.00 27.31 O HETATM 1453 O HOH 101 -0.777 11.181 11.479 1.00 29.75 O HETATM 1454 O HOH 102 2.219 -11.401 2.343 1.00 54.47 O HETATM 1455 O HOH 103 28.553 -2.024 7.391 1.00 25.03 O HETATM 1456 O HOH 104 -1.378 2.583 -2.261 1.00 42.44 O HETATM 1457 O HOH 105 9.809 0.567 24.734 1.00 40.05 O HETATM 1458 O HOH 106 -5.080 -2.911 3.498 1.00 20.22 O HETATM 1459 O HOH 107 -0.531 9.828 7.455 1.00 21.14 O HETATM 1460 O HOH 108 13.704 -3.595 -2.863 1.00 30.30 O HETATM 1461 O HOH 109 -1.447 -9.415 4.993 1.00 29.82 O HETATM 1462 O HOH 110 28.153 -4.772 0.279 1.00 22.58 O HETATM 1463 O HOH 111 -4.701 1.476 10.488 1.00 36.31 O HETATM 1464 O HOH 112 27.684 -3.623 14.153 1.00 49.10 O HETATM 1465 O HOH 113 23.291 1.535 -5.564 1.00 17.27 O HETATM 1466 O HOH 114 -5.343 -2.671 11.258 1.00 34.87 O HETATM 1467 O HOH 115 20.562 -6.536 20.065 1.00 31.93 O HETATM 1468 O HOH 116 2.350 -2.713 17.509 1.00 22.10 O HETATM 1469 O HOH 117 -2.025 -3.649 0.433 1.00 25.09 O HETATM 1470 O HOH 118 26.983 -12.338 5.686 1.00 36.32 O HETATM 1471 O HOH 119 18.890 -9.552 -4.819 1.00 46.71 O HETATM 1472 O HOH 120 -2.686 3.170 8.972 1.00 21.86 O HETATM 1473 O HOH 121 13.549 -0.278 23.474 1.00 38.31 O HETATM 1474 O HOH 122 13.292 -3.639 21.456 1.00 32.81 O HETATM 1475 O HOH 123 24.358 3.010 -3.518 1.00 15.26 O HETATM 1476 O HOH 124 14.204 -6.848 -12.956 1.00 35.75 O HETATM 1477 O HOH 125 2.305 -13.169 17.068 1.00 41.06 O HETATM 1478 O HOH 126 13.978 8.327 14.924 1.00 17.76 O HETATM 1479 O HOH 127 -3.161 -7.062 10.962 1.00 44.95 O HETATM 1480 O HOH 128 3.693 -1.159 -6.133 1.00 53.13 O HETATM 1481 O HOH 129 15.917 -10.717 3.482 1.00 24.25 O HETATM 1482 O HOH 130 13.513 -13.313 19.943 1.00 48.77 O HETATM 1483 O HOH 131 20.481 -10.611 18.240 1.00 29.67 O HETATM 1484 O HOH 132 16.731 -13.144 4.729 1.00 39.49 O HETATM 1485 O HOH 133 23.332 0.235 9.395 1.00 32.32 O HETATM 1486 O HOH 134 29.234 -6.762 14.341 1.00 63.52 O HETATM 1487 O HOH 135 26.566 7.395 2.051 1.00 31.29 O HETATM 1488 O HOH 136 -3.496 5.389 10.347 1.00 44.17 O HETATM 1489 O HOH 137 24.686 1.223 -7.850 1.00 44.47 O HETATM 1490 O HOH 138 0.800 6.094 14.730 1.00 45.37 O HETATM 1491 O HOH 139 18.146 -4.233 20.756 1.00 37.90 O HETATM 1492 O HOH 140 7.121 -6.679 -1.783 1.00 49.05 O HETATM 1493 O HOH 141 15.398 19.077 10.509 1.00 32.84 O HETATM 1494 O HOH 142 3.667 10.546 15.682 1.00 40.55 O HETATM 1495 O HOH 143 7.200 -3.746 -1.103 1.00 35.19 O HETATM 1496 O HOH 144 20.207 8.806 -7.385 1.00 17.65 O HETATM 1497 O HOH 145 28.625 0.880 -5.105 1.00 47.15 O HETATM 1498 O HOH 146 20.736 8.259 -9.984 1.00 28.64 O HETATM 1499 O HOH 147 27.601 -6.349 11.397 1.00 52.51 O HETATM 1500 O HOH 148 26.174 -10.978 10.886 1.00 32.16 O HETATM 1501 O HOH 149 6.512 -9.187 -0.960 1.00 46.74 O HETATM 1502 O HOH 150 13.726 23.367 10.648 1.00 43.73 O HETATM 1503 O HOH 151 -3.162 -5.204 -2.013 1.00 49.73 O HETATM 1504 O HOH 152 -4.284 -2.240 1.001 1.00 35.35 O HETATM 1505 O HOH 153 30.297 -3.781 -1.475 1.00 49.40 O HETATM 1506 O HOH 154 14.815 21.129 8.872 1.00 45.56 O HETATM 1507 O HOH 155 25.210 5.579 -4.162 1.00 31.04 O HETATM 1508 O HOH 156 16.566 19.663 2.658 1.00 35.33 O HETATM 1509 O HOH 157 17.336 20.950 5.004 1.00 49.10 O HETATM 1510 O HOH 158 21.735 -3.605 22.603 1.00 51.03 O HETATM 1511 C6 UNN A 159 20.653 -5.617 -0.055 1.00 0.07 C HETATM 1512 C5 UNN A 159 20.060 -6.778 -0.834 1.00 0.11 C HETATM 1513 C4 UNN A 159 18.561 -6.907 -0.623 1.00 0.12 C HETATM 1514 O4 UNN A 159 18.237 -7.077 0.773 1.00 -0.39 O HETATM 1515 H12 UNN A 159 17.295 -7.154 0.871 1.00 0.21 H HETATM 1516 C3 UNN A 159 18.037 -8.093 -1.433 1.00 0.15 C HETATM 1517 C2 UNN A 159 18.770 -9.347 -1.027 1.00 0.13 C HETATM 1518 O2 UNN A 159 18.381 -10.431 -1.880 1.00 -0.38 O HETATM 1519 H19 UNN A 159 17.445 -10.573 -1.802 1.00 0.21 H HETATM 1520 C1 UNN A 159 20.265 -9.115 -1.171 1.00 0.14 C HETATM 1521 S1 UNN A 159 21.178 -10.506 -0.581 1.00 -0.09 S HETATM 1522 C1' UNN A 159 22.833 -10.014 -0.924 1.00 0.14 C HETATM 1523 C2' UNN A 159 23.714 -10.213 0.298 1.00 0.13 C HETATM 1524 O2' UNN A 159 23.171 -9.455 1.392 1.00 -0.38 O HETATM 1525 H23 UNN A 159 23.149 -8.535 1.158 1.00 0.21 H HETATM 1526 C3' UNN A 159 25.168 -9.835 -0.030 1.00 0.15 C HETATM 1527 C4' UNN A 159 25.645 -10.672 -1.217 1.00 0.12 C HETATM 1528 C5' UNN A 159 24.686 -10.453 -2.386 1.00 0.11 C HETATM 1529 C6' UNN A 159 25.095 -11.243 -3.630 1.00 0.07 C HETATM 1530 O6' UNN A 159 24.313 -10.788 -4.748 1.00 -0.39 O HETATM 1531 H22 UNN A 159 23.391 -10.928 -4.566 1.00 0.21 H HETATM 1532 H9 UNN A 159 24.913 -12.315 -3.463 1.00 0.06 H HETATM 1533 H10 UNN A 159 26.163 -11.081 -3.836 1.00 0.06 H HETATM 1534 O5' UNN A 159 23.361 -10.823 -2.005 1.00 -0.36 O HETATM 1535 H6 UNN A 159 24.695 -9.383 -2.640 1.00 0.06 H HETATM 1536 O4' UNN A 159 25.715 -12.073 -0.886 1.00 -0.39 O HETATM 1537 H25 UNN A 159 26.324 -12.197 -0.167 1.00 0.21 H HETATM 1538 H7 UNN A 159 26.650 -10.332 -1.508 1.00 0.07 H HETATM 1539 N1' UNN A 159 26.076 -9.988 1.149 1.00 -0.16 N HETATM 1540 N2' UNN A 159 26.065 -11.235 1.772 1.00 -0.09 N HETATM 1541 N3' UNN A 159 26.974 -11.125 2.831 1.00 -0.22 N HETATM 1542 CB' UNN A 159 27.491 -9.871 2.827 1.00 0.07 C HETATM 1543 CA' UNN A 159 26.921 -9.163 1.774 1.00 0.09 C HETATM 1544 H26 UNN A 159 27.126 -8.127 1.508 1.00 0.11 H HETATM 1545 CD' UNN A 159 28.475 -9.359 3.832 1.00 -0.02 C HETATM 1546 CI' UNN A 159 28.623 -7.986 4.042 1.00 -0.06 C HETATM 1547 CH' UNN A 159 29.524 -7.512 4.996 1.00 -0.03 C HETATM 1548 CG' UNN A 159 30.277 -8.407 5.753 1.00 0.13 C HETATM 1549 CF' UNN A 159 30.122 -9.778 5.557 1.00 -0.03 C HETATM 1550 CE' UNN A 159 29.219 -10.252 4.606 1.00 -0.06 C HETATM 1551 H30 UNN A 159 29.094 -11.320 4.467 1.00 0.06 H HETATM 1552 H29 UNN A 159 30.705 -10.478 6.145 1.00 0.06 H HETATM 1553 F' UNN A 159 31.161 -7.932 6.681 1.00 -0.19 F HETATM 1554 H28 UNN A 159 29.638 -6.445 5.149 1.00 0.06 H HETATM 1555 H27 UNN A 159 28.035 -7.285 3.461 1.00 0.06 H HETATM 1556 H24 UNN A 159 25.186 -8.776 -0.327 1.00 0.07 H HETATM 1557 H8 UNN A 159 23.696 -11.277 0.576 1.00 0.07 H HETATM 1558 H21 UNN A 159 22.844 -8.953 -1.215 1.00 0.07 H HETATM 1559 O5 UNN A 159 20.701 -7.995 -0.393 1.00 -0.36 O HETATM 1560 H20 UNN A 159 20.495 -8.941 -2.232 1.00 0.07 H HETATM 1561 H4 UNN A 159 18.530 -9.594 0.018 1.00 0.07 H HETATM 1562 N1 UNN A 159 16.589 -8.208 -1.216 1.00 -0.16 N HETATM 1563 N2 UNN A 159 15.728 -7.942 -2.286 1.00 -0.09 N HETATM 1564 N3 UNN A 159 14.440 -8.108 -1.748 1.00 -0.22 N HETATM 1565 CB UNN A 159 14.615 -8.454 -0.461 1.00 0.07 C HETATM 1566 CA UNN A 159 15.937 -8.500 -0.114 1.00 0.09 C HETATM 1567 H14 UNN A 159 16.358 -8.729 0.864 1.00 0.11 H HETATM 1568 CD UNN A 159 13.385 -8.651 0.344 1.00 -0.02 C HETATM 1569 CI UNN A 159 13.503 -8.515 1.711 1.00 -0.06 C HETATM 1570 CH UNN A 159 12.387 -8.680 2.516 1.00 -0.03 C HETATM 1571 CG UNN A 159 11.152 -8.934 1.949 1.00 0.13 C HETATM 1572 F UNN A 159 10.063 -9.070 2.762 1.00 -0.19 F HETATM 1573 CF UNN A 159 11.023 -9.041 0.569 1.00 -0.03 C HETATM 1574 CE UNN A 159 12.143 -8.888 -0.245 1.00 -0.06 C HETATM 1575 H18 UNN A 159 12.050 -8.952 -1.323 1.00 0.06 H HETATM 1576 H17 UNN A 159 10.054 -9.243 0.128 1.00 0.06 H HETATM 1577 H16 UNN A 159 12.483 -8.610 3.594 1.00 0.06 H HETATM 1578 H15 UNN A 159 14.464 -8.280 2.154 1.00 0.06 H HETATM 1579 H13 UNN A 159 18.221 -7.911 -2.502 1.00 0.07 H HETATM 1580 H5 UNN A 159 18.076 -5.988 -0.983 1.00 0.07 H HETATM 1581 H3 UNN A 159 20.256 -6.625 -1.906 1.00 0.06 H HETATM 1582 O6 UNN A 159 22.040 -5.478 -0.306 1.00 -0.39 O HETATM 1583 H11 UNN A 159 22.489 -6.274 -0.048 1.00 0.21 H HETATM 1584 H1 UNN A 159 20.500 -5.793 1.020 1.00 0.06 H HETATM 1585 H2 UNN A 159 20.142 -4.689 -0.351 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1511 1512 1582 1584 1585 CONECT 1512 1511 1513 1559 1581 CONECT 1513 1512 1514 1516 1580 CONECT 1514 1513 1515 CONECT 1515 1514 CONECT 1516 1513 1517 1562 1579 CONECT 1517 1516 1518 1520 1561 CONECT 1518 1517 1519 CONECT 1519 1518 CONECT 1520 1517 1521 1559 1560 CONECT 1521 1520 1522 CONECT 1522 1521 1523 1534 1558 CONECT 1523 1522 1524 1526 1557 CONECT 1524 1523 1525 CONECT 1525 1524 CONECT 1526 1523 1527 1539 1556 CONECT 1527 1526 1528 1536 1538 CONECT 1528 1527 1529 1534 1535 CONECT 1529 1528 1530 1532 1533 CONECT 1530 1529 1531 CONECT 1531 1530 CONECT 1532 1529 CONECT 1533 1529 CONECT 1534 1522 1528 CONECT 1535 1528 CONECT 1536 1527 1537 CONECT 1537 1536 CONECT 1538 1527 CONECT 1539 1526 1540 1543 CONECT 1540 1539 1541 CONECT 1541 1540 1542 CONECT 1542 1541 1543 1545 CONECT 1543 1539 1542 1544 CONECT 1544 1543 CONECT 1545 1542 1546 1550 CONECT 1546 1545 1547 1555 CONECT 1547 1546 1548 1554 CONECT 1548 1547 1549 1553 CONECT 1549 1548 1550 1552 CONECT 1550 1545 1549 1551 CONECT 1551 1550 CONECT 1552 1549 CONECT 1553 1548 CONECT 1554 1547 CONECT 1555 1546 CONECT 1556 1526 CONECT 1557 1523 CONECT 1558 1522 CONECT 1559 1512 1520 CONECT 1560 1520 CONECT 1561 1517 CONECT 1562 1516 1563 1566 CONECT 1563 1562 1564 CONECT 1564 1563 1565 CONECT 1565 1564 1566 1568 CONECT 1566 1562 1565 1567 CONECT 1567 1566 CONECT 1568 1565 1569 1574 CONECT 1569 1568 1570 1578 CONECT 1570 1569 1571 1577 CONECT 1571 1570 1572 1573 CONECT 1572 1571 CONECT 1573 1571 1574 1576 CONECT 1574 1568 1573 1575 CONECT 1575 1574 CONECT 1576 1573 CONECT 1577 1570 CONECT 1578 1569 CONECT 1579 1516 CONECT 1580 1513 CONECT 1581 1512 CONECT 1582 1511 1583 CONECT 1583 1582 CONECT 1584 1511 CONECT 1585 1511 MASTER 0 0 0 0 0 0 0 0 1584 1 79 11 END
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Related entries of code: 5e8a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1kjr
RCSB PDB
PDBbind
146aa, >1KJR_1|Chain... at 99%
2nn8
RCSB PDB
PDBbind
138aa, >2NN8_1|Chain... at 100%
2xg3
RCSB PDB
PDBbind
138aa, >2XG3_1|Chain... at 99%
3aya
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PDBbind
135aa, >3AYA_1|Chains... at 99%
3ayc
RCSB PDB
PDBbind
135aa, >3AYC_1|Chains... at 99%
3ayd
RCSB PDB
PDBbind
135aa, >3AYD_1|Chain... at 99%
3t1l
RCSB PDB
PDBbind
143aa, >3T1L_1|Chain... at 100%
3t1m
RCSB PDB
PDBbind
143aa, >3T1M_1|Chain... at 100%
4jc1
RCSB PDB
PDBbind
143aa, >4JC1_1|Chain... at 100%
4jck
RCSB PDB
PDBbind
143aa, >4JCK_1|Chain... at 100%
4lbl
RCSB PDB
PDBbind
138aa, >4LBL_1|Chain... at 98%
4lbo
RCSB PDB
PDBbind
138aa, >4LBO_1|Chain... at 100%
5e88
RCSB PDB
PDBbind
139aa, >5E88_1|Chain... at 100%
5e89
RCSB PDB
PDBbind
139aa, >5E89_1|Chain... at 100%
5nf9
RCSB PDB
PDBbind
147aa, >5NF9_1|Chain... at 100%
5nfa
RCSB PDB
PDBbind
147aa, >5NFA_1|Chain... at 100%
5nfb
RCSB PDB
PDBbind
176aa, >5NFB_1|Chain... *
5oax
RCSB PDB
PDBbind
138aa, >5OAX_1|Chain... at 99%
5ody
RCSB PDB
PDBbind
138aa, >5ODY_1|Chain... at 100%
6eog
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
RCSB PDB
PDBbind
138aa, >6QLR_1|Chain... at 100%
6qlq
RCSB PDB
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
RCSB PDB
PDBbind
138aa, >6QGE_1|Chain... at 100%
6qgf
RCSB PDB
PDBbind
138aa, >6QGF_1|Chain... at 100%
6i78
RCSB PDB
PDBbind
138aa, >6I78_1|Chain... at 100%
6i77
RCSB PDB
PDBbind
138aa, >6I77_1|Chain... at 100%
6i76
RCSB PDB
PDBbind
138aa, >6I76_1|Chain... at 100%
6i75
RCSB PDB
PDBbind
138aa, >6I75_1|Chain... at 100%
6i74
RCSB PDB
PDBbind
138aa, >6I74_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5e8a
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human galectin-3 CRD
Ligand Name
5KS
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=0.034uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Chembiochem Vol. 17: pp. 1759-1770
Ligand Properties
Formula
C
2
8
H
3
0
F
2
N
6
O
8
S
Molecular Weight
648.635
Exact Mass
648.181
No. of atoms
75
No. of bonds
80
Polar Surface Area
226.56
LOGP Value
0.24 (
Computed with XLOGP3
)
-0.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 14
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)c2ccc(cc2)F)O)[C@@H]([C@H]([C@H]1O)n1nnc(c1)c1ccc(cc1)F)O
InChI String
InChI=1S/C28H30F2N6O8S/c29-15-5-1-13(2-6-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-3-7-16(30)8-4-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/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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