Browse entries in the PDBbind-CN Database
HEADER 5H9R_COMPLEX COMPND 5H9R_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 138 PRO LEU ILE VAL PRO TYR ASN LEU PRO LEU PRO GLY GLY SEQRES 2 A 138 VAL VAL PRO ARG MET LEU ILE THR ILE LEU GLY THR VAL SEQRES 3 A 138 LYS PRO ASN ALA ASN ARG ILE ALA LEU ASP PHE GLN ARG SEQRES 4 A 138 GLY ASN ASP VAL ALA PHE HIS PHE ASN PRO ARG PHE ASN SEQRES 5 A 138 GLU ASN ASN ARG ARG VAL ILE VAL CYS ASN THR LYS LEU SEQRES 6 A 138 ASP ASN ASN TRP GLY ARG GLU GLU ARG GLN SER VAL PHE SEQRES 7 A 138 PRO PHE GLU SER GLY LYS PRO PHE LYS ILE GLN VAL LEU SEQRES 8 A 138 VAL GLU PRO ASP HIS PHE LYS VAL ALA VAL ASN ASP ALA SEQRES 9 A 138 HIS LEU LEU GLN TYR ASN HIS ARG VAL LYS LYS LEU ASN SEQRES 10 A 138 GLU ILE SER LYS LEU GLY ILE SER GLY ASP ILE ASP LEU SEQRES 11 A 138 THR SER ALA SER TYR THR MET ILE HET TGZ A 265 60 ATOM 1 N PRO A 113 24.364 -6.361 -10.425 1.00 33.53 N ATOM 2 CA PRO A 113 23.033 -6.022 -9.909 1.00 39.25 C ATOM 3 C PRO A 113 23.063 -5.536 -8.461 1.00 33.77 C ATOM 4 O PRO A 113 24.065 -5.712 -7.768 1.00 36.56 O ATOM 5 CB PRO A 113 22.274 -7.346 -10.017 1.00 38.42 C ATOM 6 CG PRO A 113 23.337 -8.381 -9.853 1.00 47.54 C ATOM 7 CD PRO A 113 24.557 -7.818 -10.536 1.00 47.41 C ATOM 8 HN2 PRO A 113 25.083 -5.975 -9.780 1.00 0.00 H ATOM 9 HN1 PRO A 113 24.479 -5.934 -11.366 1.00 0.00 H ATOM 10 N LEU A 114 21.963 -4.938 -8.015 1.00 32.18 N ATOM 11 CA LEU A 114 21.851 -4.440 -6.649 1.00 26.18 C ATOM 12 C LEU A 114 21.225 -5.498 -5.751 1.00 23.85 C ATOM 13 O LEU A 114 20.564 -6.418 -6.228 1.00 26.09 O ATOM 14 CB LEU A 114 21.021 -3.154 -6.608 1.00 24.18 C ATOM 15 CG LEU A 114 21.492 -2.070 -7.579 1.00 25.49 C ATOM 16 CD1 LEU A 114 20.562 -0.865 -7.538 1.00 29.79 C ATOM 17 CD2 LEU A 114 22.926 -1.662 -7.266 1.00 35.11 C ATOM 18 H LEU A 114 21.156 -4.822 -8.661 1.00 0.00 H ATOM 19 N ILE A 115 21.440 -5.366 -4.450 1.00 23.04 N ATOM 20 CA ILE A 115 20.836 -6.281 -3.489 1.00 21.52 C ATOM 21 C ILE A 115 19.324 -6.079 -3.413 1.00 24.25 C ATOM 22 O ILE A 115 18.828 -4.966 -3.575 1.00 23.83 O ATOM 23 CB ILE A 115 21.451 -6.105 -2.083 1.00 28.25 C ATOM 24 CG1 ILE A 115 21.077 -7.281 -1.179 1.00 32.17 C ATOM 25 CG2 ILE A 115 21.049 -4.762 -1.469 1.00 31.79 C ATOM 26 CD1 ILE A 115 21.696 -7.201 0.208 1.00 43.98 C ATOM 27 H ILE A 115 22.050 -4.596 -4.109 1.00 0.00 H ATOM 28 N VAL A 116 18.599 -7.171 -3.197 1.00 22.58 N ATOM 29 CA VAL A 116 17.152 -7.145 -3.014 1.00 20.84 C ATOM 30 C VAL A 116 16.836 -7.975 -1.772 1.00 22.54 C ATOM 31 O VAL A 116 17.325 -9.094 -1.651 1.00 23.75 O ATOM 32 CB VAL A 116 16.411 -7.703 -4.247 1.00 25.65 C ATOM 33 CG1 VAL A 116 14.914 -7.785 -3.994 1.00 19.84 C ATOM 34 CG2 VAL A 116 16.706 -6.840 -5.473 1.00 23.40 C ATOM 35 H VAL A 116 19.087 -8.089 -3.156 1.00 0.00 H ATOM 36 N PRO A 117 16.035 -7.437 -0.833 1.00 20.15 N ATOM 37 CA PRO A 117 15.382 -6.120 -0.822 1.00 19.77 C ATOM 38 C PRO A 117 16.347 -4.947 -0.737 1.00 19.79 C ATOM 39 O PRO A 117 17.417 -5.024 -0.138 1.00 20.37 O ATOM 40 CB PRO A 117 14.491 -6.167 0.422 1.00 22.45 C ATOM 41 CG PRO A 117 15.014 -7.281 1.243 1.00 24.23 C ATOM 42 CD PRO A 117 15.605 -8.270 0.302 1.00 24.03 C ATOM 43 N TYR A 118 15.936 -3.852 -1.359 1.00 15.33 N ATOM 44 CA TYR A 118 16.760 -2.671 -1.479 1.00 13.50 C ATOM 45 C TYR A 118 16.008 -1.497 -0.884 1.00 15.72 C ATOM 46 O TYR A 118 14.817 -1.339 -1.123 1.00 15.84 O ATOM 47 CB TYR A 118 17.090 -2.408 -2.949 1.00 14.80 C ATOM 48 CG TYR A 118 18.097 -1.309 -3.190 1.00 15.23 C ATOM 49 CD1 TYR A 118 19.452 -1.594 -3.264 1.00 19.60 C ATOM 50 CD2 TYR A 118 17.690 0.016 -3.351 1.00 16.57 C ATOM 51 CE1 TYR A 118 20.379 -0.598 -3.487 1.00 22.16 C ATOM 52 CE2 TYR A 118 18.613 1.018 -3.572 1.00 22.69 C ATOM 53 CZ TYR A 118 19.956 0.705 -3.641 1.00 28.08 C ATOM 54 OH TYR A 118 20.885 1.696 -3.863 1.00 30.13 O ATOM 55 HH TYR A 118 21.791 1.299 -3.883 1.00 0.00 H ATOM 56 H TYR A 118 14.984 -3.842 -1.777 1.00 0.00 H ATOM 57 N ASN A 119 16.708 -0.690 -0.101 1.00 13.95 N ATOM 58 CA ASN A 119 16.134 0.521 0.456 1.00 14.81 C ATOM 59 C ASN A 119 16.762 1.745 -0.177 1.00 15.60 C ATOM 60 O ASN A 119 17.971 1.951 -0.087 1.00 18.21 O ATOM 61 CB ASN A 119 16.326 0.565 1.970 1.00 17.16 C ATOM 62 CG ASN A 119 15.722 1.811 2.593 1.00 29.12 C ATOM 63 OD1 ASN A 119 14.586 2.175 2.289 1.00 32.36 O ATOM 64 ND2 ASN A 119 16.484 2.477 3.462 1.00 34.60 N ATOM 65 HD22 ASN A 119 17.438 2.131 3.688 1.00 0.00 H ATOM 66 HD21 ASN A 119 16.124 3.342 3.913 1.00 0.00 H ATOM 67 H ASN A 119 17.695 -0.931 0.121 1.00 0.00 H ATOM 68 N LEU A 120 15.934 2.546 -0.836 1.00 12.89 N ATOM 69 CA LEU A 120 16.377 3.792 -1.432 1.00 12.90 C ATOM 70 C LEU A 120 15.858 4.956 -0.597 1.00 13.67 C ATOM 71 O LEU A 120 14.659 5.211 -0.570 1.00 13.23 O ATOM 72 CB LEU A 120 15.877 3.899 -2.874 1.00 13.49 C ATOM 73 CG LEU A 120 16.151 5.185 -3.650 1.00 15.59 C ATOM 74 CD1 LEU A 120 17.635 5.309 -3.965 1.00 22.98 C ATOM 75 CD2 LEU A 120 15.312 5.229 -4.915 1.00 18.26 C ATOM 76 H LEU A 120 14.935 2.271 -0.928 1.00 0.00 H ATOM 77 N PRO A 121 16.757 5.642 0.119 1.00 12.19 N ATOM 78 CA PRO A 121 16.349 6.836 0.856 1.00 13.25 C ATOM 79 C PRO A 121 15.810 7.892 -0.095 1.00 13.01 C ATOM 80 O PRO A 121 16.320 8.031 -1.209 1.00 11.21 O ATOM 81 CB PRO A 121 17.651 7.310 1.514 1.00 15.79 C ATOM 82 CG PRO A 121 18.511 6.090 1.572 1.00 18.77 C ATOM 83 CD PRO A 121 18.166 5.291 0.362 1.00 17.48 C ATOM 84 N LEU A 122 14.781 8.612 0.336 1.00 10.47 N ATOM 85 CA LEU A 122 14.228 9.714 -0.431 1.00 9.90 C ATOM 86 C LEU A 122 14.372 10.952 0.441 1.00 11.32 C ATOM 87 O LEU A 122 13.490 11.246 1.242 1.00 11.65 O ATOM 88 CB LEU A 122 12.762 9.455 -0.795 1.00 12.28 C ATOM 89 CG LEU A 122 12.454 8.148 -1.534 1.00 13.07 C ATOM 90 CD1 LEU A 122 10.949 7.965 -1.711 1.00 12.87 C ATOM 91 CD2 LEU A 122 13.156 8.152 -2.881 1.00 11.25 C ATOM 92 H LEU A 122 14.356 8.378 1.256 1.00 0.00 H ATOM 93 N PRO A 123 15.510 11.651 0.324 1.00 10.13 N ATOM 94 CA PRO A 123 15.834 12.703 1.293 1.00 11.08 C ATOM 95 C PRO A 123 14.810 13.834 1.301 1.00 11.58 C ATOM 96 O PRO A 123 14.528 14.434 0.260 1.00 11.99 O ATOM 97 CB PRO A 123 17.205 13.203 0.820 1.00 12.28 C ATOM 98 CG PRO A 123 17.789 12.053 0.068 1.00 14.13 C ATOM 99 CD PRO A 123 16.610 11.422 -0.629 1.00 12.34 C ATOM 100 N GLY A 124 14.254 14.114 2.477 1.00 11.29 N ATOM 101 CA GLY A 124 13.269 15.165 2.635 1.00 11.44 C ATOM 102 C GLY A 124 11.901 14.762 2.114 1.00 10.59 C ATOM 103 O GLY A 124 11.020 15.604 1.978 1.00 11.74 O ATOM 104 H GLY A 124 14.536 13.560 3.311 1.00 0.00 H ATOM 105 N GLY A 125 11.727 13.475 1.832 1.00 11.48 N ATOM 106 CA GLY A 125 10.438 12.959 1.405 1.00 10.05 C ATOM 107 C GLY A 125 10.198 13.185 -0.066 1.00 13.72 C ATOM 108 O GLY A 125 11.112 13.535 -0.809 1.00 14.92 O ATOM 109 H GLY A 125 12.532 12.822 1.919 1.00 0.00 H ATOM 110 N VAL A 126 8.966 12.965 -0.502 1.00 10.42 N ATOM 111 CA VAL A 126 8.662 13.162 -1.910 1.00 10.50 C ATOM 112 C VAL A 126 7.950 14.486 -2.109 1.00 11.47 C ATOM 113 O VAL A 126 7.445 15.084 -1.166 1.00 12.84 O ATOM 114 CB VAL A 126 7.814 12.016 -2.483 1.00 9.65 C ATOM 115 CG1 VAL A 126 8.544 10.688 -2.308 1.00 14.40 C ATOM 116 CG2 VAL A 126 6.442 11.968 -1.829 1.00 10.09 C ATOM 117 H VAL A 126 8.224 12.654 0.157 1.00 0.00 H ATOM 118 N VAL A 127 7.914 14.940 -3.349 1.00 12.44 N ATOM 119 CA VAL A 127 7.375 16.245 -3.663 1.00 13.62 C ATOM 120 C VAL A 127 6.874 16.148 -5.087 1.00 13.23 C ATOM 121 O VAL A 127 7.414 15.365 -5.879 1.00 12.49 O ATOM 122 CB VAL A 127 8.456 17.354 -3.497 1.00 15.08 C ATOM 123 CG1 VAL A 127 9.609 17.132 -4.471 1.00 15.20 C ATOM 124 CG2 VAL A 127 7.868 18.752 -3.661 1.00 18.89 C ATOM 125 H VAL A 127 8.282 14.345 -4.118 1.00 0.00 H ATOM 126 N PRO A 128 5.808 16.883 -5.415 1.00 11.66 N ATOM 127 CA PRO A 128 5.390 16.852 -6.817 1.00 13.53 C ATOM 128 C PRO A 128 6.534 17.227 -7.752 1.00 12.05 C ATOM 129 O PRO A 128 7.328 18.121 -7.431 1.00 15.10 O ATOM 130 CB PRO A 128 4.265 17.885 -6.861 1.00 15.84 C ATOM 131 CG PRO A 128 3.661 17.794 -5.486 1.00 17.50 C ATOM 132 CD PRO A 128 4.817 17.563 -4.558 1.00 13.88 C ATOM 133 N ARG A 129 6.602 16.504 -8.869 1.00 12.51 N ATOM 134 CA ARG A 129 7.600 16.609 -9.943 1.00 13.40 C ATOM 135 C ARG A 129 8.787 15.676 -9.707 1.00 12.46 C ATOM 136 O ARG A 129 9.664 15.552 -10.557 1.00 14.45 O ATOM 137 CB ARG A 129 8.079 18.055 -10.151 1.00 16.58 C ATOM 138 CG ARG A 129 6.941 18.978 -10.581 1.00 20.17 C ATOM 139 CD ARG A 129 7.425 20.336 -11.061 1.00 26.18 C ATOM 140 NE ARG A 129 8.126 20.229 -12.335 1.00 24.59 N ATOM 141 CZ ARG A 129 8.103 21.158 -13.285 1.00 30.02 C ATOM 142 NH1 ARG A 129 7.395 22.269 -13.117 1.00 32.20 N ATOM 143 NH2 ARG A 129 8.780 20.968 -14.407 1.00 33.47 N ATOM 144 HE ARG A 129 8.681 19.368 -12.512 1.00 0.00 H ATOM 145 HH12 ARG A 129 7.380 22.994 -13.863 1.00 0.00 H ATOM 146 HH11 ARG A 129 6.856 22.414 -12.240 1.00 0.00 H ATOM 147 HH22 ARG A 129 8.764 21.693 -15.153 1.00 0.00 H ATOM 148 HH21 ARG A 129 9.327 20.094 -14.542 1.00 0.00 H ATOM 149 H ARG A 129 5.864 15.782 -8.996 1.00 0.00 H ATOM 150 N MET A 130 8.808 15.000 -8.565 1.00 11.03 N ATOM 151 CA MET A 130 9.847 14.016 -8.336 1.00 11.11 C ATOM 152 C MET A 130 9.547 12.742 -9.117 1.00 12.28 C ATOM 153 O MET A 130 8.424 12.250 -9.112 1.00 12.18 O ATOM 154 CB MET A 130 9.963 13.711 -6.849 1.00 12.93 C ATOM 155 CG MET A 130 11.112 12.794 -6.477 1.00 13.97 C ATOM 156 SD MET A 130 11.239 12.769 -4.671 1.00 16.22 S ATOM 157 CE MET A 130 12.699 11.768 -4.421 1.00 17.17 C ATOM 158 H MET A 130 8.084 15.175 -7.839 1.00 0.00 H ATOM 159 N LEU A 131 10.560 12.236 -9.805 1.00 9.20 N ATOM 160 CA LEU A 131 10.429 11.052 -10.643 1.00 12.32 C ATOM 161 C LEU A 131 11.349 9.960 -10.136 1.00 12.18 C ATOM 162 O LEU A 131 12.555 10.164 -10.051 1.00 13.99 O ATOM 163 CB LEU A 131 10.765 11.402 -12.096 1.00 10.44 C ATOM 164 CG LEU A 131 10.676 10.232 -13.073 1.00 13.03 C ATOM 165 CD1 LEU A 131 9.224 9.785 -13.230 1.00 15.11 C ATOM 166 CD2 LEU A 131 11.287 10.622 -14.405 1.00 18.19 C ATOM 167 H LEU A 131 11.487 12.704 -9.744 1.00 0.00 H ATOM 168 N ILE A 132 10.792 8.797 -9.806 1.00 10.88 N ATOM 169 CA ILE A 132 11.606 7.697 -9.315 1.00 10.88 C ATOM 170 C ILE A 132 11.603 6.627 -10.394 1.00 12.84 C ATOM 171 O ILE A 132 10.553 6.282 -10.921 1.00 14.43 O ATOM 172 CB ILE A 132 11.091 7.156 -7.972 1.00 14.80 C ATOM 173 CG1 ILE A 132 11.125 8.268 -6.911 1.00 14.83 C ATOM 174 CG2 ILE A 132 11.936 5.963 -7.499 1.00 15.27 C ATOM 175 CD1 ILE A 132 9.772 8.888 -6.620 1.00 18.19 C ATOM 176 H ILE A 132 9.764 8.674 -9.900 1.00 0.00 H ATOM 177 N THR A 133 12.792 6.145 -10.745 1.00 10.36 N ATOM 178 CA THR A 133 12.931 5.162 -11.819 1.00 11.85 C ATOM 179 C THR A 133 13.573 3.887 -11.290 1.00 13.96 C ATOM 180 O THR A 133 14.646 3.916 -10.681 1.00 14.45 O ATOM 181 CB THR A 133 13.781 5.704 -12.986 1.00 12.85 C ATOM 182 OG1 THR A 133 13.182 6.892 -13.515 1.00 14.49 O ATOM 183 CG2 THR A 133 13.891 4.659 -14.110 1.00 12.92 C ATOM 184 HG1 THR A 133 13.128 7.578 -12.803 1.00 0.00 H ATOM 185 H THR A 133 13.642 6.475 -10.244 1.00 0.00 H ATOM 186 N ILE A 134 12.904 2.769 -11.527 1.00 11.27 N ATOM 187 CA ILE A 134 13.425 1.466 -11.145 1.00 11.74 C ATOM 188 C ILE A 134 13.652 0.631 -12.399 1.00 11.53 C ATOM 189 O ILE A 134 12.732 0.429 -13.188 1.00 13.66 O ATOM 190 CB ILE A 134 12.465 0.717 -10.200 1.00 12.85 C ATOM 191 CG1 ILE A 134 12.064 1.595 -9.004 1.00 16.68 C ATOM 192 CG2 ILE A 134 13.099 -0.581 -9.744 1.00 15.66 C ATOM 193 CD1 ILE A 134 13.228 2.126 -8.213 1.00 21.37 C ATOM 194 H ILE A 134 11.979 2.824 -12.000 1.00 0.00 H ATOM 195 N LEU A 135 14.887 0.183 -12.600 1.00 12.74 N ATOM 196 CA LEU A 135 15.220 -0.715 -13.705 1.00 11.69 C ATOM 197 C LEU A 135 15.543 -2.104 -13.161 1.00 12.36 C ATOM 198 O LEU A 135 16.267 -2.238 -12.178 1.00 11.70 O ATOM 199 CB LEU A 135 16.409 -0.183 -14.504 1.00 14.01 C ATOM 200 CG LEU A 135 16.152 1.124 -15.246 1.00 14.11 C ATOM 201 CD1 LEU A 135 17.432 1.646 -15.877 1.00 23.06 C ATOM 202 CD2 LEU A 135 15.105 0.872 -16.308 1.00 19.03 C ATOM 203 H LEU A 135 15.642 0.481 -11.950 1.00 0.00 H ATOM 204 N GLY A 136 14.998 -3.138 -13.785 1.00 13.01 N ATOM 205 CA GLY A 136 15.247 -4.479 -13.298 1.00 13.22 C ATOM 206 C GLY A 136 14.862 -5.490 -14.348 1.00 13.53 C ATOM 207 O GLY A 136 14.408 -5.121 -15.438 1.00 12.78 O ATOM 208 H GLY A 136 14.395 -2.988 -14.619 1.00 0.00 H ATOM 209 N THR A 137 15.065 -6.763 -14.019 1.00 13.65 N ATOM 210 CA THR A 137 14.612 -7.861 -14.852 1.00 13.42 C ATOM 211 C THR A 137 13.800 -8.780 -13.964 1.00 12.09 C ATOM 212 O THR A 137 14.214 -9.084 -12.846 1.00 14.75 O ATOM 213 CB THR A 137 15.780 -8.627 -15.481 1.00 14.60 C ATOM 214 OG1 THR A 137 16.530 -7.748 -16.332 1.00 17.69 O ATOM 215 CG2 THR A 137 15.264 -9.803 -16.305 1.00 16.03 C ATOM 216 HG1 THR A 137 17.284 -8.246 -16.737 1.00 0.00 H ATOM 217 H THR A 137 15.566 -6.979 -13.134 1.00 0.00 H ATOM 218 N VAL A 138 12.625 -9.177 -14.427 1.00 11.87 N ATOM 219 CA VAL A 138 11.796 -10.106 -13.669 1.00 12.74 C ATOM 220 C VAL A 138 12.424 -11.494 -13.700 1.00 14.89 C ATOM 221 O VAL A 138 12.845 -11.963 -14.750 1.00 16.64 O ATOM 222 CB VAL A 138 10.362 -10.177 -14.224 1.00 12.19 C ATOM 223 CG1 VAL A 138 9.533 -11.125 -13.397 1.00 14.02 C ATOM 224 CG2 VAL A 138 9.715 -8.787 -14.219 1.00 11.17 C ATOM 225 H VAL A 138 12.289 -8.821 -15.344 1.00 0.00 H ATOM 226 N LYS A 139 12.514 -12.143 -12.547 1.00 14.03 N ATOM 227 CA LYS A 139 13.030 -13.507 -12.517 1.00 17.29 C ATOM 228 C LYS A 139 12.105 -14.458 -13.262 1.00 16.67 C ATOM 229 O LYS A 139 10.897 -14.231 -13.358 1.00 16.97 O ATOM 230 CB LYS A 139 13.228 -13.964 -11.069 1.00 16.26 C ATOM 231 CG LYS A 139 14.376 -13.262 -10.373 1.00 21.72 C ATOM 232 CD LYS A 139 14.537 -13.742 -8.942 1.00 27.58 C ATOM 233 CE LYS A 139 15.745 -13.094 -8.274 1.00 27.38 C ATOM 234 NZ LYS A 139 17.024 -13.497 -8.933 1.00 40.17 N ATOM 235 HZ1 LYS A 139 17.132 -14.530 -8.875 1.00 0.00 H ATOM 236 HZ2 LYS A 139 17.005 -13.205 -9.931 1.00 0.00 H ATOM 237 HZ3 LYS A 139 17.822 -13.036 -8.450 1.00 0.00 H ATOM 238 H LYS A 139 12.217 -11.680 -11.665 1.00 0.00 H ATOM 239 N PRO A 140 12.670 -15.534 -13.817 1.00 18.19 N ATOM 240 CA PRO A 140 11.782 -16.535 -14.407 1.00 19.69 C ATOM 241 C PRO A 140 10.939 -17.171 -13.305 1.00 18.24 C ATOM 242 O PRO A 140 11.433 -17.335 -12.188 1.00 26.60 O ATOM 243 CB PRO A 140 12.748 -17.536 -15.050 1.00 20.69 C ATOM 244 CG PRO A 140 14.057 -17.313 -14.364 1.00 30.15 C ATOM 245 CD PRO A 140 14.094 -15.866 -13.983 1.00 25.13 C ATOM 246 N ASN A 141 9.680 -17.471 -13.601 1.00 24.31 N ATOM 247 CA ASN A 141 8.775 -18.053 -12.610 1.00 23.31 C ATOM 248 C ASN A 141 8.583 -17.163 -11.391 1.00 18.59 C ATOM 249 O ASN A 141 8.368 -17.650 -10.283 1.00 19.95 O ATOM 250 CB ASN A 141 9.278 -19.427 -12.162 1.00 25.60 C ATOM 251 CG ASN A 141 9.505 -20.361 -13.325 1.00 31.89 C ATOM 252 OD1 ASN A 141 10.619 -20.839 -13.545 1.00 38.50 O ATOM 253 ND2 ASN A 141 8.450 -20.614 -14.092 1.00 35.04 N ATOM 254 HD22 ASN A 141 7.529 -20.187 -13.866 1.00 0.00 H ATOM 255 HD21 ASN A 141 8.545 -21.239 -14.918 1.00 0.00 H ATOM 256 H ASN A 141 9.328 -17.287 -14.562 1.00 0.00 H ATOM 257 N ALA A 142 8.673 -15.855 -11.605 1.00 17.01 N ATOM 258 CA ALA A 142 8.416 -14.890 -10.550 1.00 14.17 C ATOM 259 C ALA A 142 7.017 -15.052 -9.987 1.00 14.38 C ATOM 260 O ALA A 142 6.077 -15.412 -10.701 1.00 17.54 O ATOM 261 CB ALA A 142 8.606 -13.479 -11.084 1.00 16.79 C ATOM 262 H ALA A 142 8.934 -15.513 -12.552 1.00 0.00 H ATOM 263 N ASN A 143 6.884 -14.777 -8.693 1.00 14.55 N ATOM 264 CA ASN A 143 5.584 -14.791 -8.044 1.00 16.14 C ATOM 265 C ASN A 143 5.087 -13.389 -7.728 1.00 13.47 C ATOM 266 O ASN A 143 3.905 -13.109 -7.836 1.00 14.41 O ATOM 267 CB ASN A 143 5.631 -15.609 -6.757 1.00 17.46 C ATOM 268 CG ASN A 143 4.282 -15.687 -6.078 1.00 21.82 C ATOM 269 OD1 ASN A 143 4.020 -14.978 -5.109 1.00 27.79 O ATOM 270 ND2 ASN A 143 3.409 -16.542 -6.597 1.00 25.15 N ATOM 271 HD22 ASN A 143 3.675 -17.122 -7.418 1.00 0.00 H ATOM 272 HD21 ASN A 143 2.459 -16.631 -6.182 1.00 0.00 H ATOM 273 H ASN A 143 7.729 -14.547 -8.133 1.00 0.00 H ATOM 274 N ARG A 144 5.998 -12.507 -7.338 1.00 15.43 N ATOM 275 CA ARG A 144 5.578 -11.183 -6.909 1.00 14.19 C ATOM 276 C ARG A 144 6.719 -10.180 -6.893 1.00 15.07 C ATOM 277 O ARG A 144 7.887 -10.549 -6.777 1.00 16.67 O ATOM 278 CB ARG A 144 4.937 -11.268 -5.520 1.00 18.63 C ATOM 279 CG ARG A 144 5.851 -11.799 -4.436 1.00 21.81 C ATOM 280 CD ARG A 144 5.040 -12.005 -3.171 1.00 28.01 C ATOM 281 NE ARG A 144 5.855 -12.371 -2.021 1.00 32.22 N ATOM 282 CZ ARG A 144 5.389 -12.410 -0.775 1.00 32.67 C ATOM 283 NH1 ARG A 144 4.120 -12.097 -0.531 1.00 34.38 N ATOM 284 NH2 ARG A 144 6.190 -12.752 0.224 1.00 34.47 N ATOM 285 HE ARG A 144 6.853 -12.615 -2.182 1.00 0.00 H ATOM 286 HH12 ARG A 144 3.755 -12.127 0.442 1.00 0.00 H ATOM 287 HH11 ARG A 144 3.493 -11.822 -1.313 1.00 0.00 H ATOM 288 HH22 ARG A 144 5.824 -12.782 1.197 1.00 0.00 H ATOM 289 HH21 ARG A 144 7.184 -12.990 0.035 1.00 0.00 H ATOM 290 H ARG A 144 7.006 -12.761 -7.339 1.00 0.00 H ATOM 291 N ILE A 145 6.354 -8.911 -7.037 1.00 12.75 N ATOM 292 CA ILE A 145 7.265 -7.769 -6.905 1.00 13.33 C ATOM 293 C ILE A 145 6.573 -6.774 -5.987 1.00 12.44 C ATOM 294 O ILE A 145 5.349 -6.734 -5.958 1.00 11.75 O ATOM 295 CB ILE A 145 7.550 -7.111 -8.265 1.00 12.87 C ATOM 296 CG1 ILE A 145 8.068 -8.142 -9.272 1.00 19.38 C ATOM 297 CG2 ILE A 145 8.513 -5.908 -8.127 1.00 16.10 C ATOM 298 CD1 ILE A 145 8.026 -7.627 -10.700 1.00 20.69 C ATOM 299 H ILE A 145 5.357 -8.714 -7.258 1.00 0.00 H ATOM 300 N ALA A 146 7.329 -5.977 -5.231 1.00 13.47 N ATOM 301 CA ALA A 146 6.706 -4.908 -4.455 1.00 10.89 C ATOM 302 C ALA A 146 7.579 -3.669 -4.362 1.00 13.02 C ATOM 303 O ALA A 146 8.789 -3.761 -4.155 1.00 13.57 O ATOM 304 CB ALA A 146 6.349 -5.406 -3.043 1.00 14.48 C ATOM 305 H ALA A 146 8.359 -6.116 -5.194 1.00 0.00 H ATOM 306 N LEU A 147 6.947 -2.513 -4.549 1.00 10.16 N ATOM 307 CA LEU A 147 7.544 -1.223 -4.240 1.00 11.68 C ATOM 308 C LEU A 147 6.778 -0.665 -3.053 1.00 13.57 C ATOM 309 O LEU A 147 5.549 -0.670 -3.058 1.00 13.04 O ATOM 310 CB LEU A 147 7.459 -0.259 -5.421 1.00 11.54 C ATOM 311 CG LEU A 147 8.242 -0.559 -6.695 1.00 17.17 C ATOM 312 CD1 LEU A 147 8.113 0.607 -7.677 1.00 18.05 C ATOM 313 CD2 LEU A 147 9.681 -0.830 -6.389 1.00 24.15 C ATOM 314 H LEU A 147 5.981 -2.533 -4.934 1.00 0.00 H ATOM 315 N ASP A 148 7.499 -0.188 -2.041 1.00 11.24 N ATOM 316 CA ASP A 148 6.877 0.335 -0.833 1.00 11.55 C ATOM 317 C ASP A 148 7.410 1.726 -0.495 1.00 12.64 C ATOM 318 O ASP A 148 8.537 1.876 -0.021 1.00 13.18 O ATOM 319 CB ASP A 148 7.112 -0.626 0.340 1.00 13.52 C ATOM 320 CG ASP A 148 6.343 -1.920 0.190 1.00 20.89 C ATOM 321 OD1 ASP A 148 5.106 -1.872 0.334 1.00 20.57 O ATOM 322 OD2 ASP A 148 6.965 -2.979 -0.065 1.00 23.00 O ATOM 323 H ASP A 148 8.536 -0.189 -2.115 1.00 0.00 H ATOM 324 N PHE A 149 6.607 2.748 -0.773 1.00 8.66 N ATOM 325 CA PHE A 149 6.934 4.106 -0.337 1.00 9.03 C ATOM 326 C PHE A 149 6.551 4.224 1.125 1.00 10.32 C ATOM 327 O PHE A 149 5.374 4.113 1.465 1.00 10.67 O ATOM 328 CB PHE A 149 6.212 5.151 -1.200 1.00 7.98 C ATOM 329 CG PHE A 149 6.739 5.234 -2.598 1.00 11.14 C ATOM 330 CD1 PHE A 149 7.720 6.154 -2.934 1.00 14.79 C ATOM 331 CD2 PHE A 149 6.264 4.381 -3.579 1.00 12.32 C ATOM 332 CE1 PHE A 149 8.220 6.220 -4.228 1.00 13.04 C ATOM 333 CE2 PHE A 149 6.765 4.446 -4.883 1.00 13.06 C ATOM 334 CZ PHE A 149 7.741 5.373 -5.194 1.00 13.81 C ATOM 335 H PHE A 149 5.732 2.580 -1.309 1.00 0.00 H ATOM 336 N GLN A 150 7.542 4.425 1.989 1.00 8.36 N ATOM 337 CA GLN A 150 7.313 4.346 3.430 1.00 9.27 C ATOM 338 C GLN A 150 7.376 5.685 4.160 1.00 8.78 C ATOM 339 O GLN A 150 8.205 6.533 3.855 1.00 9.69 O ATOM 340 CB GLN A 150 8.333 3.382 4.050 1.00 12.37 C ATOM 341 CG GLN A 150 8.149 1.949 3.560 1.00 14.54 C ATOM 342 CD GLN A 150 9.459 1.195 3.414 1.00 24.84 C ATOM 343 OE1 GLN A 150 10.512 1.788 3.184 1.00 32.53 O ATOM 344 NE2 GLN A 150 9.397 -0.126 3.552 1.00 40.05 N ATOM 345 HE22 GLN A 150 8.485 -0.586 3.746 1.00 0.00 H ATOM 346 HE21 GLN A 150 10.261 -0.699 3.466 1.00 0.00 H ATOM 347 H GLN A 150 8.495 4.642 1.633 1.00 0.00 H ATOM 348 N ARG A 151 6.478 5.848 5.130 1.00 10.46 N ATOM 349 CA ARG A 151 6.512 6.961 6.077 1.00 9.70 C ATOM 350 C ARG A 151 6.667 6.340 7.459 1.00 10.27 C ATOM 351 O ARG A 151 5.679 5.914 8.055 1.00 10.01 O ATOM 352 CB ARG A 151 5.234 7.818 5.988 1.00 10.23 C ATOM 353 CG ARG A 151 5.121 8.874 7.097 1.00 12.66 C ATOM 354 CD ARG A 151 3.902 9.804 6.964 1.00 16.39 C ATOM 355 NE ARG A 151 3.832 10.683 8.131 1.00 15.29 N ATOM 356 CZ ARG A 151 3.043 10.478 9.186 1.00 17.50 C ATOM 357 NH1 ARG A 151 2.193 9.462 9.205 1.00 20.41 N ATOM 358 NH2 ARG A 151 3.081 11.316 10.219 1.00 15.99 N ATOM 359 HE ARG A 151 4.440 11.527 8.138 1.00 0.00 H ATOM 360 HH12 ARG A 151 1.582 9.311 10.033 1.00 0.00 H ATOM 361 HH11 ARG A 151 2.137 8.816 8.392 1.00 0.00 H ATOM 362 HH22 ARG A 151 2.465 11.156 11.042 1.00 0.00 H ATOM 363 HH21 ARG A 151 3.726 12.131 10.204 1.00 0.00 H ATOM 364 H ARG A 151 5.714 5.148 5.218 1.00 0.00 H ATOM 365 N GLY A 152 7.902 6.254 7.951 1.00 9.58 N ATOM 366 CA GLY A 152 8.183 5.475 9.150 1.00 11.55 C ATOM 367 C GLY A 152 7.717 4.039 8.950 1.00 13.78 C ATOM 368 O GLY A 152 8.029 3.414 7.930 1.00 13.87 O ATOM 369 H GLY A 152 8.679 6.751 7.471 1.00 0.00 H ATOM 370 N ASN A 153 6.949 3.517 9.905 1.00 11.10 N ATOM 371 CA ASN A 153 6.400 2.167 9.770 1.00 11.89 C ATOM 372 C ASN A 153 5.213 2.084 8.807 1.00 9.87 C ATOM 373 O ASN A 153 4.807 0.985 8.414 1.00 12.02 O ATOM 374 CB ASN A 153 5.984 1.621 11.139 1.00 11.79 C ATOM 375 CG ASN A 153 5.585 0.150 11.079 1.00 11.57 C ATOM 376 OD1 ASN A 153 6.392 -0.710 10.726 1.00 15.07 O ATOM 377 ND2 ASN A 153 4.335 -0.137 11.410 1.00 13.34 N ATOM 378 HD22 ASN A 153 3.687 0.622 11.703 1.00 0.00 H ATOM 379 HD21 ASN A 153 4.001 -1.121 11.377 1.00 0.00 H ATOM 380 H ASN A 153 6.737 4.075 10.756 1.00 0.00 H ATOM 381 N ASP A 154 4.643 3.227 8.440 1.00 11.91 N ATOM 382 CA ASP A 154 3.511 3.206 7.508 1.00 10.22 C ATOM 383 C ASP A 154 3.983 3.009 6.071 1.00 10.31 C ATOM 384 O ASP A 154 5.082 3.420 5.687 1.00 10.47 O ATOM 385 CB ASP A 154 2.665 4.479 7.628 1.00 11.51 C ATOM 386 CG ASP A 154 1.820 4.490 8.887 1.00 16.24 C ATOM 387 OD1 ASP A 154 1.798 3.466 9.606 1.00 14.92 O ATOM 388 OD2 ASP A 154 1.169 5.516 9.150 1.00 16.80 O ATOM 389 H ASP A 154 4.998 4.131 8.812 1.00 0.00 H ATOM 390 N VAL A 155 3.155 2.341 5.272 1.00 9.36 N ATOM 391 CA VAL A 155 3.417 2.275 3.835 1.00 9.66 C ATOM 392 C VAL A 155 2.425 3.186 3.119 1.00 10.32 C ATOM 393 O VAL A 155 1.235 2.889 3.040 1.00 10.59 O ATOM 394 CB VAL A 155 3.321 0.844 3.266 1.00 8.97 C ATOM 395 CG1 VAL A 155 3.635 0.880 1.768 1.00 10.47 C ATOM 396 CG2 VAL A 155 4.284 -0.096 3.992 1.00 11.26 C ATOM 397 H VAL A 155 2.320 1.865 5.670 1.00 0.00 H ATOM 398 N ALA A 156 2.912 4.324 2.640 1.00 8.72 N ATOM 399 CA ALA A 156 2.049 5.260 1.942 1.00 9.49 C ATOM 400 C ALA A 156 1.503 4.693 0.643 1.00 9.22 C ATOM 401 O ALA A 156 0.336 4.883 0.308 1.00 10.65 O ATOM 402 CB ALA A 156 2.809 6.569 1.671 1.00 8.99 C ATOM 403 H ALA A 156 3.920 4.547 2.766 1.00 0.00 H ATOM 404 N PHE A 157 2.357 3.989 -0.087 1.00 8.88 N ATOM 405 CA PHE A 157 1.983 3.450 -1.385 1.00 8.73 C ATOM 406 C PHE A 157 2.731 2.150 -1.586 1.00 9.58 C ATOM 407 O PHE A 157 3.952 2.139 -1.680 1.00 8.79 O ATOM 408 CB PHE A 157 2.280 4.482 -2.484 1.00 8.24 C ATOM 409 CG PHE A 157 2.077 3.981 -3.893 1.00 10.07 C ATOM 410 CD1 PHE A 157 1.045 3.109 -4.200 1.00 10.20 C ATOM 411 CD2 PHE A 157 2.910 4.416 -4.911 1.00 9.80 C ATOM 412 CE1 PHE A 157 0.861 2.650 -5.515 1.00 10.80 C ATOM 413 CE2 PHE A 157 2.738 3.969 -6.221 1.00 8.47 C ATOM 414 CZ PHE A 157 1.714 3.087 -6.528 1.00 10.80 C ATOM 415 H PHE A 157 3.316 3.818 0.277 1.00 0.00 H ATOM 416 N HIS A 158 1.957 1.064 -1.608 1.00 9.35 N ATOM 417 CA HIS A 158 2.400 -0.306 -1.842 1.00 8.83 C ATOM 418 C HIS A 158 1.969 -0.647 -3.248 1.00 8.44 C ATOM 419 O HIS A 158 0.785 -0.587 -3.539 1.00 11.41 O ATOM 420 CB HIS A 158 1.730 -1.223 -0.809 1.00 10.25 C ATOM 421 CG HIS A 158 2.004 -2.691 -0.957 1.00 11.18 C ATOM 422 ND1 HIS A 158 3.229 -3.261 -0.689 1.00 11.87 N ATOM 423 CD2 HIS A 158 1.169 -3.715 -1.253 1.00 12.29 C ATOM 424 CE1 HIS A 158 3.145 -4.574 -0.847 1.00 13.50 C ATOM 425 NE2 HIS A 158 1.903 -4.875 -1.171 1.00 11.77 N ATOM 426 H HIS A 158 0.940 1.208 -1.442 1.00 0.00 H ATOM 427 N PHE A 159 2.931 -0.950 -4.119 1.00 9.66 N ATOM 428 CA PHE A 159 2.685 -1.297 -5.520 1.00 7.45 C ATOM 429 C PHE A 159 3.158 -2.733 -5.699 1.00 10.40 C ATOM 430 O PHE A 159 4.352 -3.015 -5.617 1.00 10.88 O ATOM 431 CB PHE A 159 3.429 -0.317 -6.432 1.00 9.57 C ATOM 432 CG PHE A 159 3.427 -0.677 -7.897 1.00 9.43 C ATOM 433 CD1 PHE A 159 2.407 -0.228 -8.722 1.00 10.36 C ATOM 434 CD2 PHE A 159 4.473 -1.410 -8.459 1.00 8.88 C ATOM 435 CE1 PHE A 159 2.402 -0.524 -10.087 1.00 9.86 C ATOM 436 CE2 PHE A 159 4.474 -1.723 -9.821 1.00 8.54 C ATOM 437 CZ PHE A 159 3.437 -1.275 -10.639 1.00 10.09 C ATOM 438 H PHE A 159 3.915 -0.939 -3.784 1.00 0.00 H ATOM 439 N ASN A 160 2.212 -3.642 -5.924 1.00 9.34 N ATOM 440 CA ASN A 160 2.480 -5.077 -5.759 1.00 9.84 C ATOM 441 C ASN A 160 1.973 -5.943 -6.907 1.00 10.35 C ATOM 442 O ASN A 160 0.876 -6.499 -6.831 1.00 11.60 O ATOM 443 CB ASN A 160 1.851 -5.526 -4.422 1.00 11.27 C ATOM 444 CG ASN A 160 1.999 -7.030 -4.133 1.00 13.42 C ATOM 445 OD1 ASN A 160 1.121 -7.624 -3.494 1.00 14.40 O ATOM 446 ND2 ASN A 160 3.097 -7.636 -4.571 1.00 13.33 N ATOM 447 HD22 ASN A 160 3.810 -7.099 -5.105 1.00 0.00 H ATOM 448 HD21 ASN A 160 3.244 -8.648 -4.380 1.00 0.00 H ATOM 449 H ASN A 160 1.266 -3.331 -6.222 1.00 0.00 H ATOM 450 N PRO A 161 2.777 -6.064 -7.979 1.00 11.99 N ATOM 451 CA PRO A 161 2.488 -7.020 -9.055 1.00 9.98 C ATOM 452 C PRO A 161 2.486 -8.448 -8.527 1.00 11.57 C ATOM 453 O PRO A 161 3.453 -8.885 -7.907 1.00 13.01 O ATOM 454 CB PRO A 161 3.637 -6.797 -10.040 1.00 11.39 C ATOM 455 CG PRO A 161 4.016 -5.341 -9.814 1.00 10.87 C ATOM 456 CD PRO A 161 3.916 -5.191 -8.316 1.00 10.87 C ATOM 457 N ARG A 162 1.388 -9.152 -8.775 1.00 12.09 N ATOM 458 CA ARG A 162 1.249 -10.560 -8.402 1.00 12.29 C ATOM 459 C ARG A 162 1.121 -11.390 -9.667 1.00 11.06 C ATOM 460 O ARG A 162 0.224 -11.151 -10.471 1.00 14.42 O ATOM 461 CB ARG A 162 0.027 -10.755 -7.506 1.00 10.79 C ATOM 462 CG ARG A 162 0.133 -9.973 -6.197 1.00 13.22 C ATOM 463 CD ARG A 162 -1.113 -10.121 -5.341 1.00 16.36 C ATOM 464 NE ARG A 162 -1.015 -9.282 -4.151 1.00 13.33 N ATOM 465 CZ ARG A 162 -1.891 -9.269 -3.157 1.00 16.67 C ATOM 466 NH1 ARG A 162 -2.959 -10.061 -3.200 1.00 18.19 N ATOM 467 NH2 ARG A 162 -1.701 -8.451 -2.125 1.00 15.41 N ATOM 468 HE ARG A 162 -0.195 -8.646 -4.078 1.00 0.00 H ATOM 469 HH12 ARG A 162 -3.646 -10.050 -2.419 1.00 0.00 H ATOM 470 HH11 ARG A 162 -3.107 -10.691 -4.014 1.00 0.00 H ATOM 471 HH22 ARG A 162 -2.384 -8.435 -1.341 1.00 0.00 H ATOM 472 HH21 ARG A 162 -0.869 -7.827 -2.102 1.00 0.00 H ATOM 473 H ARG A 162 0.593 -8.683 -9.255 1.00 0.00 H ATOM 474 N PHE A 163 2.014 -12.357 -9.841 1.00 14.52 N ATOM 475 CA PHE A 163 2.040 -13.139 -11.077 1.00 16.83 C ATOM 476 C PHE A 163 1.123 -14.348 -11.038 1.00 17.94 C ATOM 477 O PHE A 163 0.795 -14.915 -12.078 1.00 18.23 O ATOM 478 CB PHE A 163 3.470 -13.582 -11.387 1.00 12.61 C ATOM 479 CG PHE A 163 4.359 -12.455 -11.828 1.00 13.53 C ATOM 480 CD1 PHE A 163 4.849 -11.544 -10.907 1.00 15.97 C ATOM 481 CD2 PHE A 163 4.692 -12.294 -13.163 1.00 16.73 C ATOM 482 CE1 PHE A 163 5.656 -10.500 -11.305 1.00 16.96 C ATOM 483 CE2 PHE A 163 5.507 -11.250 -13.568 1.00 16.90 C ATOM 484 CZ PHE A 163 5.991 -10.358 -12.635 1.00 16.97 C ATOM 485 H PHE A 163 2.703 -12.561 -9.089 1.00 0.00 H ATOM 486 N ASN A 164 0.706 -14.747 -9.847 1.00 16.69 N ATOM 487 CA ASN A 164 -0.118 -15.936 -9.734 1.00 22.85 C ATOM 488 C ASN A 164 -1.068 -15.837 -8.563 1.00 23.91 C ATOM 489 O ASN A 164 -0.933 -16.551 -7.576 1.00 27.25 O ATOM 490 CB ASN A 164 0.763 -17.180 -9.607 1.00 24.40 C ATOM 491 CG ASN A 164 -0.034 -18.465 -9.682 1.00 37.37 C ATOM 492 OD1 ASN A 164 -1.244 -18.436 -9.894 1.00 31.16 O ATOM 493 ND2 ASN A 164 0.638 -19.600 -9.512 1.00 33.33 N ATOM 494 HD22 ASN A 164 1.663 -19.576 -9.335 1.00 0.00 H ATOM 495 HD21 ASN A 164 0.139 -20.511 -9.556 1.00 0.00 H ATOM 496 H ASN A 164 0.968 -14.210 -8.995 1.00 0.00 H ATOM 497 N GLU A 165 -2.028 -14.931 -8.673 1.00 17.47 N ATOM 498 CA GLU A 165 -3.098 -14.869 -7.700 1.00 20.86 C ATOM 499 C GLU A 165 -4.308 -15.572 -8.290 1.00 19.63 C ATOM 500 O GLU A 165 -4.965 -15.040 -9.183 1.00 21.06 O ATOM 501 CB GLU A 165 -3.434 -13.429 -7.333 1.00 20.83 C ATOM 502 CG GLU A 165 -4.228 -13.334 -6.041 1.00 28.35 C ATOM 503 CD GLU A 165 -4.858 -11.980 -5.848 1.00 26.01 C ATOM 504 OE1 GLU A 165 -5.514 -11.491 -6.790 1.00 29.84 O ATOM 505 OE2 GLU A 165 -4.703 -11.408 -4.753 1.00 31.33 O ATOM 506 H GLU A 165 -2.013 -14.258 -9.466 1.00 0.00 H ATOM 507 N ASN A 166 -4.585 -16.775 -7.792 1.00 24.65 N ATOM 508 CA ASN A 166 -5.638 -17.614 -8.354 1.00 25.83 C ATOM 509 C ASN A 166 -5.433 -17.789 -9.855 1.00 19.67 C ATOM 510 O ASN A 166 -6.380 -17.714 -10.640 1.00 20.92 O ATOM 511 CB ASN A 166 -7.013 -17.015 -8.062 1.00 25.77 C ATOM 512 CG ASN A 166 -7.320 -16.962 -6.577 1.00 38.71 C ATOM 513 OD1 ASN A 166 -6.858 -17.804 -5.805 1.00 41.23 O ATOM 514 ND2 ASN A 166 -8.092 -15.962 -6.168 1.00 40.50 N ATOM 515 HD22 ASN A 166 -8.460 -15.274 -6.856 1.00 0.00 H ATOM 516 HD21 ASN A 166 -8.329 -15.867 -5.160 1.00 0.00 H ATOM 517 H ASN A 166 -4.036 -17.126 -6.981 1.00 0.00 H ATOM 518 N ASN A 167 -4.174 -17.997 -10.234 1.00 20.00 N ATOM 519 CA ASN A 167 -3.770 -18.185 -11.625 1.00 19.40 C ATOM 520 C ASN A 167 -4.122 -16.998 -12.521 1.00 20.16 C ATOM 521 O ASN A 167 -4.276 -17.139 -13.735 1.00 22.55 O ATOM 522 CB ASN A 167 -4.381 -19.475 -12.175 1.00 24.62 C ATOM 523 CG ASN A 167 -3.994 -20.687 -11.356 1.00 25.33 C ATOM 524 OD1 ASN A 167 -2.815 -20.922 -11.092 1.00 29.37 O ATOM 525 ND2 ASN A 167 -4.989 -21.451 -10.923 1.00 23.08 N ATOM 526 HD22 ASN A 167 -5.971 -21.215 -11.170 1.00 0.00 H ATOM 527 HD21 ASN A 167 -4.786 -22.286 -10.336 1.00 0.00 H ATOM 528 H ASN A 167 -3.438 -18.027 -9.500 1.00 0.00 H ATOM 529 N ARG A 168 -4.237 -15.821 -11.907 1.00 19.59 N ATOM 530 CA ARG A 168 -4.399 -14.568 -12.640 1.00 21.25 C ATOM 531 C ARG A 168 -3.209 -13.660 -12.351 1.00 15.86 C ATOM 532 O ARG A 168 -2.547 -13.819 -11.336 1.00 16.39 O ATOM 533 CB ARG A 168 -5.696 -13.850 -12.245 1.00 22.02 C ATOM 534 CG ARG A 168 -6.949 -14.717 -12.232 1.00 30.11 C ATOM 535 CD ARG A 168 -7.270 -15.278 -13.604 1.00 35.30 C ATOM 536 NE ARG A 168 -8.685 -15.640 -13.723 1.00 41.88 N ATOM 537 CZ ARG A 168 -9.167 -16.876 -13.619 1.00 46.50 C ATOM 538 NH1 ARG A 168 -8.352 -17.901 -13.403 1.00 46.05 N ATOM 539 NH2 ARG A 168 -10.473 -17.087 -13.741 1.00 47.59 N ATOM 540 HE ARG A 168 -9.364 -14.873 -13.902 1.00 0.00 H ATOM 541 HH12 ARG A 168 -8.737 -18.864 -13.323 1.00 0.00 H ATOM 542 HH11 ARG A 168 -7.328 -17.741 -13.314 1.00 0.00 H ATOM 543 HH22 ARG A 168 -10.854 -18.051 -13.660 1.00 0.00 H ATOM 544 HH21 ARG A 168 -11.115 -16.288 -13.917 1.00 0.00 H ATOM 545 H ARG A 168 -4.210 -15.793 -10.868 1.00 0.00 H ATOM 546 N ARG A 169 -2.950 -12.704 -13.237 1.00 18.11 N ATOM 547 CA ARG A 169 -1.934 -11.693 -12.965 1.00 16.23 C ATOM 548 C ARG A 169 -2.645 -10.394 -12.637 1.00 14.90 C ATOM 549 O ARG A 169 -3.585 -10.007 -13.327 1.00 17.25 O ATOM 550 CB ARG A 169 -0.989 -11.530 -14.155 1.00 15.57 C ATOM 551 CG ARG A 169 -0.541 -12.884 -14.708 1.00 22.64 C ATOM 552 CD ARG A 169 0.765 -12.812 -15.456 1.00 30.79 C ATOM 553 NE ARG A 169 0.956 -13.994 -16.299 1.00 32.20 N ATOM 554 CZ ARG A 169 1.433 -15.160 -15.873 1.00 28.40 C ATOM 555 NH1 ARG A 169 1.773 -15.325 -14.602 1.00 27.48 N ATOM 556 NH2 ARG A 169 1.577 -16.166 -16.727 1.00 24.73 N ATOM 557 HE ARG A 169 0.700 -13.916 -17.304 1.00 0.00 H ATOM 558 HH12 ARG A 169 2.145 -16.240 -14.278 1.00 0.00 H ATOM 559 HH11 ARG A 169 1.667 -14.539 -13.929 1.00 0.00 H ATOM 560 HH22 ARG A 169 1.950 -17.079 -16.397 1.00 0.00 H ATOM 561 HH21 ARG A 169 1.317 -16.041 -17.726 1.00 0.00 H ATOM 562 H ARG A 169 -3.477 -12.676 -14.133 1.00 0.00 H ATOM 563 N VAL A 170 -2.217 -9.730 -11.569 1.00 12.49 N ATOM 564 CA VAL A 170 -2.895 -8.522 -11.134 1.00 14.37 C ATOM 565 C VAL A 170 -1.911 -7.634 -10.382 1.00 13.58 C ATOM 566 O VAL A 170 -0.983 -8.128 -9.748 1.00 15.40 O ATOM 567 CB VAL A 170 -4.122 -8.856 -10.245 1.00 14.39 C ATOM 568 CG1 VAL A 170 -3.699 -9.604 -8.991 1.00 17.91 C ATOM 569 CG2 VAL A 170 -4.898 -7.586 -9.878 1.00 18.14 C ATOM 570 H VAL A 170 -1.391 -10.078 -11.041 1.00 0.00 H ATOM 571 N ILE A 171 -2.094 -6.324 -10.483 1.00 13.40 N ATOM 572 CA ILE A 171 -1.335 -5.415 -9.643 1.00 12.45 C ATOM 573 C ILE A 171 -2.228 -4.941 -8.497 1.00 12.32 C ATOM 574 O ILE A 171 -3.332 -4.442 -8.721 1.00 14.68 O ATOM 575 CB ILE A 171 -0.795 -4.235 -10.457 1.00 13.01 C ATOM 576 CG1 ILE A 171 0.163 -4.768 -11.527 1.00 13.87 C ATOM 577 CG2 ILE A 171 -0.074 -3.248 -9.556 1.00 13.88 C ATOM 578 CD1 ILE A 171 0.607 -3.741 -12.503 1.00 21.60 C ATOM 579 H ILE A 171 -2.783 -5.947 -11.165 1.00 0.00 H ATOM 580 N VAL A 172 -1.752 -5.144 -7.270 1.00 10.04 N ATOM 581 CA VAL A 172 -2.465 -4.710 -6.079 1.00 11.94 C ATOM 582 C VAL A 172 -1.769 -3.491 -5.493 1.00 11.81 C ATOM 583 O VAL A 172 -0.558 -3.514 -5.282 1.00 12.88 O ATOM 584 CB VAL A 172 -2.530 -5.814 -5.021 1.00 12.34 C ATOM 585 CG1 VAL A 172 -3.211 -5.288 -3.770 1.00 16.58 C ATOM 586 CG2 VAL A 172 -3.279 -7.024 -5.579 1.00 15.10 C ATOM 587 H VAL A 172 -0.839 -5.630 -7.160 1.00 0.00 H ATOM 588 N CYS A 173 -2.532 -2.427 -5.264 1.00 10.84 N ATOM 589 CA CYS A 173 -2.001 -1.230 -4.610 1.00 10.72 C ATOM 590 C CYS A 173 -2.741 -0.974 -3.309 1.00 10.91 C ATOM 591 O CYS A 173 -3.951 -1.194 -3.212 1.00 13.33 O ATOM 592 CB CYS A 173 -2.112 -0.010 -5.520 1.00 12.95 C ATOM 593 SG CYS A 173 -1.135 -0.165 -7.038 1.00 14.25 S ATOM 594 H CYS A 173 -3.530 -2.445 -5.556 1.00 0.00 H ATOM 595 N ASN A 174 -2.017 -0.497 -2.303 1.00 8.61 N ATOM 596 CA ASN A 174 -2.641 -0.267 -1.009 1.00 10.83 C ATOM 597 C ASN A 174 -1.773 0.620 -0.127 1.00 11.70 C ATOM 598 O ASN A 174 -0.674 1.013 -0.510 1.00 10.42 O ATOM 599 CB ASN A 174 -2.920 -1.608 -0.322 1.00 13.08 C ATOM 600 CG ASN A 174 -4.099 -1.556 0.653 1.00 12.80 C ATOM 601 OD1 ASN A 174 -4.601 -0.488 1.005 1.00 11.50 O ATOM 602 ND2 ASN A 174 -4.546 -2.730 1.089 1.00 14.74 N ATOM 603 HD22 ASN A 174 -4.095 -3.610 0.768 1.00 0.00 H ATOM 604 HD21 ASN A 174 -5.347 -2.768 1.751 1.00 0.00 H ATOM 605 H ASN A 174 -1.007 -0.289 -2.440 1.00 0.00 H ATOM 606 N THR A 175 -2.300 0.930 1.050 1.00 9.60 N ATOM 607 CA THR A 175 -1.641 1.751 2.050 1.00 9.83 C ATOM 608 C THR A 175 -1.710 0.999 3.370 1.00 9.61 C ATOM 609 O THR A 175 -2.733 0.382 3.679 1.00 12.28 O ATOM 610 CB THR A 175 -2.323 3.135 2.152 1.00 9.44 C ATOM 611 OG1 THR A 175 -2.118 3.836 0.927 1.00 10.63 O ATOM 612 CG2 THR A 175 -1.785 3.974 3.328 1.00 9.41 C ATOM 613 HG1 THR A 175 -2.515 3.319 0.182 1.00 0.00 H ATOM 614 H THR A 175 -3.247 0.561 1.271 1.00 0.00 H ATOM 615 N LYS A 176 -0.622 1.017 4.133 1.00 8.94 N ATOM 616 CA LYS A 176 -0.615 0.379 5.451 1.00 10.39 C ATOM 617 C LYS A 176 -0.438 1.442 6.524 1.00 11.12 C ATOM 618 O LYS A 176 0.527 2.198 6.506 1.00 11.03 O ATOM 619 CB LYS A 176 0.487 -0.674 5.544 1.00 11.67 C ATOM 620 CG LYS A 176 0.385 -1.520 6.812 1.00 14.13 C ATOM 621 CD LYS A 176 1.287 -2.737 6.754 1.00 20.47 C ATOM 622 CE LYS A 176 2.734 -2.373 6.999 1.00 22.97 C ATOM 623 NZ LYS A 176 3.537 -3.587 7.364 1.00 31.04 N ATOM 624 HZ1 LYS A 176 3.147 -4.012 8.230 1.00 0.00 H ATOM 625 HZ2 LYS A 176 3.492 -4.277 6.587 1.00 0.00 H ATOM 626 HZ3 LYS A 176 4.526 -3.311 7.527 1.00 0.00 H ATOM 627 H LYS A 176 0.237 1.491 3.789 1.00 0.00 H ATOM 628 N LEU A 177 -1.407 1.525 7.428 1.00 12.02 N ATOM 629 CA LEU A 177 -1.377 2.508 8.501 1.00 11.67 C ATOM 630 C LEU A 177 -1.490 1.803 9.835 1.00 11.92 C ATOM 631 O LEU A 177 -2.397 0.996 10.018 1.00 15.04 O ATOM 632 CB LEU A 177 -2.520 3.506 8.347 1.00 13.12 C ATOM 633 CG LEU A 177 -2.563 4.267 7.028 1.00 15.66 C ATOM 634 CD1 LEU A 177 -3.828 5.103 6.986 1.00 18.49 C ATOM 635 CD2 LEU A 177 -1.327 5.142 6.890 1.00 16.44 C ATOM 636 H LEU A 177 -2.211 0.868 7.368 1.00 0.00 H ATOM 637 N ASP A 178 -0.585 2.122 10.758 1.00 15.42 N ATOM 638 CA ASP A 178 -0.601 1.510 12.086 1.00 16.80 C ATOM 639 C ASP A 178 -0.667 -0.014 11.981 1.00 17.12 C ATOM 640 O ASP A 178 -1.416 -0.670 12.711 1.00 16.63 O ATOM 641 CB ASP A 178 -1.779 2.044 12.914 1.00 17.89 C ATOM 642 CG ASP A 178 -1.643 3.516 13.242 1.00 25.25 C ATOM 643 OD1 ASP A 178 -0.518 4.050 13.162 1.00 23.52 O ATOM 644 OD2 ASP A 178 -2.664 4.140 13.593 1.00 28.42 O ATOM 645 H ASP A 178 0.150 2.822 10.529 1.00 0.00 H ATOM 646 N ASN A 179 0.119 -0.550 11.048 1.00 15.06 N ATOM 647 CA ASN A 179 0.261 -1.982 10.783 1.00 17.08 C ATOM 648 C ASN A 179 -0.976 -2.662 10.182 1.00 19.62 C ATOM 649 O ASN A 179 -1.038 -3.890 10.118 1.00 23.12 O ATOM 650 CB ASN A 179 0.675 -2.719 12.066 1.00 21.36 C ATOM 651 CG ASN A 179 2.055 -3.350 11.963 1.00 22.94 C ATOM 652 OD1 ASN A 179 2.912 -2.902 11.194 1.00 22.23 O ATOM 653 ND2 ASN A 179 2.273 -4.408 12.738 1.00 24.59 N ATOM 654 HD22 ASN A 179 1.523 -4.752 13.371 1.00 0.00 H ATOM 655 HD21 ASN A 179 3.193 -4.892 12.711 1.00 0.00 H ATOM 656 H ASN A 179 0.677 0.102 10.461 1.00 0.00 H ATOM 657 N ASN A 180 -1.948 -1.873 9.732 1.00 17.77 N ATOM 658 CA ASN A 180 -3.153 -2.400 9.085 1.00 19.82 C ATOM 659 C ASN A 180 -3.256 -1.995 7.620 1.00 16.60 C ATOM 660 O ASN A 180 -3.129 -0.815 7.296 1.00 14.54 O ATOM 661 CB ASN A 180 -4.414 -1.910 9.793 1.00 20.07 C ATOM 662 CG ASN A 180 -4.555 -2.463 11.192 1.00 29.19 C ATOM 663 OD1 ASN A 180 -4.279 -3.636 11.440 1.00 32.82 O ATOM 664 ND2 ASN A 180 -4.991 -1.617 12.116 1.00 31.71 N ATOM 665 HD22 ASN A 180 -5.212 -0.634 11.858 1.00 0.00 H ATOM 666 HD21 ASN A 180 -5.112 -1.937 13.098 1.00 0.00 H ATOM 667 H ASN A 180 -1.849 -0.844 9.843 1.00 0.00 H ATOM 668 N TRP A 181 -3.524 -2.959 6.742 1.00 15.14 N ATOM 669 CA TRP A 181 -3.763 -2.637 5.335 1.00 15.60 C ATOM 670 C TRP A 181 -5.159 -2.055 5.128 1.00 16.93 C ATOM 671 O TRP A 181 -6.117 -2.435 5.810 1.00 19.76 O ATOM 672 CB TRP A 181 -3.570 -3.874 4.448 1.00 12.82 C ATOM 673 CG TRP A 181 -2.149 -4.305 4.338 1.00 14.03 C ATOM 674 CD1 TRP A 181 -1.570 -5.379 4.943 1.00 18.62 C ATOM 675 CD2 TRP A 181 -1.108 -3.649 3.601 1.00 13.80 C ATOM 676 NE1 TRP A 181 -0.234 -5.444 4.623 1.00 16.27 N ATOM 677 CE2 TRP A 181 0.074 -4.391 3.798 1.00 14.42 C ATOM 678 CE3 TRP A 181 -1.063 -2.509 2.789 1.00 15.10 C ATOM 679 CZ2 TRP A 181 1.291 -4.034 3.216 1.00 16.59 C ATOM 680 CZ3 TRP A 181 0.155 -2.148 2.214 1.00 13.18 C ATOM 681 CH2 TRP A 181 1.312 -2.911 2.429 1.00 14.39 C ATOM 682 HE1 TRP A 181 0.433 -6.171 4.952 1.00 0.00 H ATOM 683 H TRP A 181 -3.564 -3.949 7.059 1.00 0.00 H ATOM 684 N GLY A 182 -5.270 -1.129 4.184 1.00 12.77 N ATOM 685 CA GLY A 182 -6.535 -0.492 3.873 1.00 13.21 C ATOM 686 C GLY A 182 -7.239 -1.199 2.731 1.00 14.13 C ATOM 687 O GLY A 182 -7.038 -2.392 2.514 1.00 17.36 O ATOM 688 H GLY A 182 -4.422 -0.851 3.650 1.00 0.00 H ATOM 689 N ARG A 183 -8.070 -0.459 2.011 1.00 16.29 N ATOM 690 CA ARG A 183 -8.794 -1.021 0.885 1.00 17.60 C ATOM 691 C ARG A 183 -7.877 -1.100 -0.320 1.00 18.56 C ATOM 692 O ARG A 183 -7.208 -0.128 -0.661 1.00 15.88 O ATOM 693 CB ARG A 183 -10.037 -0.186 0.576 1.00 22.62 C ATOM 694 CG ARG A 183 -10.908 0.043 1.797 1.00 35.81 C ATOM 695 CD ARG A 183 -11.471 -1.271 2.328 1.00 42.80 C ATOM 696 NE ARG A 183 -11.542 -1.289 3.788 1.00 54.65 N ATOM 697 CZ ARG A 183 -11.082 -2.280 4.547 1.00 53.90 C ATOM 698 NH1 ARG A 183 -10.520 -3.347 3.987 1.00 50.72 N ATOM 699 NH2 ARG A 183 -11.185 -2.209 5.867 1.00 58.30 N ATOM 700 HE ARG A 183 -11.980 -0.475 4.264 1.00 0.00 H ATOM 701 HH12 ARG A 183 -10.162 -4.120 4.584 1.00 0.00 H ATOM 702 HH11 ARG A 183 -10.439 -3.409 2.952 1.00 0.00 H ATOM 703 HH22 ARG A 183 -10.825 -2.984 6.459 1.00 0.00 H ATOM 704 HH21 ARG A 183 -11.626 -1.378 6.310 1.00 0.00 H ATOM 705 H ARG A 183 -8.206 0.542 2.257 1.00 0.00 H ATOM 706 N GLU A 184 -7.852 -2.261 -0.963 1.00 16.09 N ATOM 707 CA GLU A 184 -7.000 -2.463 -2.120 1.00 16.26 C ATOM 708 C GLU A 184 -7.541 -1.780 -3.362 1.00 19.35 C ATOM 709 O GLU A 184 -8.745 -1.677 -3.555 1.00 18.81 O ATOM 710 CB GLU A 184 -6.829 -3.956 -2.407 1.00 17.13 C ATOM 711 CG GLU A 184 -6.031 -4.681 -1.346 1.00 16.50 C ATOM 712 CD GLU A 184 -5.868 -6.157 -1.634 1.00 19.41 C ATOM 713 OE1 GLU A 184 -6.546 -6.671 -2.557 1.00 22.51 O ATOM 714 OE2 GLU A 184 -5.052 -6.801 -0.938 1.00 17.86 O ATOM 715 H GLU A 184 -8.455 -3.041 -0.631 1.00 0.00 H ATOM 716 N GLU A 185 -6.631 -1.307 -4.201 1.00 12.71 N ATOM 717 CA GLU A 185 -6.974 -0.871 -5.540 1.00 13.73 C ATOM 718 C GLU A 185 -6.280 -1.818 -6.486 1.00 16.22 C ATOM 719 O GLU A 185 -5.068 -2.015 -6.400 1.00 18.64 O ATOM 720 CB GLU A 185 -6.545 0.575 -5.799 1.00 15.51 C ATOM 721 CG GLU A 185 -7.226 1.572 -4.885 1.00 17.64 C ATOM 722 CD GLU A 185 -6.752 2.992 -5.098 1.00 16.40 C ATOM 723 OE1 GLU A 185 -6.385 3.356 -6.235 1.00 18.89 O ATOM 724 OE2 GLU A 185 -6.748 3.749 -4.110 1.00 17.28 O ATOM 725 H GLU A 185 -5.641 -1.247 -3.889 1.00 0.00 H ATOM 726 N ARG A 186 -7.049 -2.427 -7.376 1.00 15.48 N ATOM 727 CA ARG A 186 -6.497 -3.453 -8.249 1.00 13.53 C ATOM 728 C ARG A 186 -6.484 -3.024 -9.705 1.00 15.90 C ATOM 729 O ARG A 186 -7.410 -2.374 -10.193 1.00 18.27 O ATOM 730 CB ARG A 186 -7.273 -4.752 -8.076 1.00 14.56 C ATOM 731 CG ARG A 186 -6.940 -5.412 -6.760 1.00 16.62 C ATOM 732 CD ARG A 186 -7.849 -6.572 -6.423 1.00 24.46 C ATOM 733 NE ARG A 186 -7.336 -7.263 -5.246 1.00 21.94 N ATOM 734 CZ ARG A 186 -6.779 -8.464 -5.273 1.00 20.21 C ATOM 735 NH1 ARG A 186 -6.696 -9.132 -6.421 1.00 23.38 N ATOM 736 NH2 ARG A 186 -6.325 -9.009 -4.154 1.00 19.35 N ATOM 737 HE ARG A 186 -7.412 -6.782 -4.327 1.00 0.00 H ATOM 738 HH12 ARG A 186 -6.259 -10.075 -6.443 1.00 0.00 H ATOM 739 HH11 ARG A 186 -7.068 -8.711 -7.296 1.00 0.00 H ATOM 740 HH22 ARG A 186 -5.888 -9.952 -4.175 1.00 0.00 H ATOM 741 HH21 ARG A 186 -6.406 -8.494 -3.254 1.00 0.00 H ATOM 742 H ARG A 186 -8.054 -2.170 -7.452 1.00 0.00 H ATOM 743 N GLN A 187 -5.399 -3.370 -10.382 1.00 14.72 N ATOM 744 CA GLN A 187 -5.236 -3.062 -11.796 1.00 12.75 C ATOM 745 C GLN A 187 -4.951 -4.368 -12.523 1.00 14.49 C ATOM 746 O GLN A 187 -3.937 -5.017 -12.269 1.00 15.91 O ATOM 747 CB GLN A 187 -4.106 -2.048 -12.005 1.00 19.86 C ATOM 748 CG GLN A 187 -3.603 -1.877 -13.439 1.00 14.72 C ATOM 749 CD GLN A 187 -4.650 -1.342 -14.398 1.00 18.43 C ATOM 750 OE1 GLN A 187 -5.621 -2.021 -14.710 1.00 17.36 O ATOM 751 NE2 GLN A 187 -4.449 -0.123 -14.877 1.00 23.83 N ATOM 752 HE22 GLN A 187 -3.611 0.419 -14.585 1.00 0.00 H ATOM 753 HE21 GLN A 187 -5.130 0.292 -15.545 1.00 0.00 H ATOM 754 H GLN A 187 -4.639 -3.878 -9.887 1.00 0.00 H ATOM 755 N SER A 188 -5.860 -4.757 -13.411 1.00 15.79 N ATOM 756 CA SER A 188 -5.726 -6.020 -14.129 1.00 16.68 C ATOM 757 C SER A 188 -4.796 -5.914 -15.337 1.00 17.65 C ATOM 758 O SER A 188 -4.308 -6.926 -15.833 1.00 22.17 O ATOM 759 CB SER A 188 -7.097 -6.537 -14.566 1.00 20.06 C ATOM 760 OG SER A 188 -7.747 -5.611 -15.414 1.00 29.35 O ATOM 761 HG SER A 188 -7.871 -4.755 -14.933 1.00 0.00 H ATOM 762 H SER A 188 -6.683 -4.149 -13.598 1.00 0.00 H ATOM 763 N VAL A 189 -4.549 -4.698 -15.806 1.00 14.53 N ATOM 764 CA VAL A 189 -3.541 -4.483 -16.835 1.00 16.13 C ATOM 765 C VAL A 189 -2.168 -4.802 -16.252 1.00 17.82 C ATOM 766 O VAL A 189 -1.765 -4.235 -15.232 1.00 15.53 O ATOM 767 CB VAL A 189 -3.583 -3.045 -17.368 1.00 17.00 C ATOM 768 CG1 VAL A 189 -2.456 -2.812 -18.361 1.00 18.54 C ATOM 769 CG2 VAL A 189 -4.931 -2.786 -18.029 1.00 20.57 C ATOM 770 H VAL A 189 -5.083 -3.887 -15.434 1.00 0.00 H ATOM 771 N PHE A 190 -1.454 -5.722 -16.892 1.00 14.30 N ATOM 772 CA PHE A 190 -0.268 -6.306 -16.277 1.00 14.38 C ATOM 773 C PHE A 190 0.895 -6.343 -17.244 1.00 15.05 C ATOM 774 O PHE A 190 1.002 -7.263 -18.050 1.00 16.50 O ATOM 775 CB PHE A 190 -0.589 -7.716 -15.787 1.00 14.24 C ATOM 776 CG PHE A 190 0.419 -8.265 -14.836 1.00 12.24 C ATOM 777 CD1 PHE A 190 1.531 -8.954 -15.306 1.00 14.14 C ATOM 778 CD2 PHE A 190 0.261 -8.093 -13.469 1.00 12.09 C ATOM 779 CE1 PHE A 190 2.468 -9.475 -14.427 1.00 13.91 C ATOM 780 CE2 PHE A 190 1.183 -8.616 -12.581 1.00 12.88 C ATOM 781 CZ PHE A 190 2.297 -9.296 -13.061 1.00 14.10 C ATOM 782 H PHE A 190 -1.744 -6.029 -17.842 1.00 0.00 H ATOM 783 N PRO A 191 1.774 -5.338 -17.173 1.00 12.95 N ATOM 784 CA PRO A 191 2.814 -5.156 -18.188 1.00 13.80 C ATOM 785 C PRO A 191 4.101 -5.915 -17.916 1.00 15.88 C ATOM 786 O PRO A 191 5.015 -5.851 -18.741 1.00 24.35 O ATOM 787 CB PRO A 191 3.068 -3.649 -18.139 1.00 16.34 C ATOM 788 CG PRO A 191 2.825 -3.300 -16.711 1.00 17.88 C ATOM 789 CD PRO A 191 1.696 -4.187 -16.255 1.00 16.41 C ATOM 790 N PHE A 192 4.182 -6.610 -16.785 1.00 12.36 N ATOM 791 CA PHE A 192 5.392 -7.325 -16.431 1.00 10.87 C ATOM 792 C PHE A 192 5.366 -8.710 -17.035 1.00 15.19 C ATOM 793 O PHE A 192 4.301 -9.306 -17.200 1.00 16.46 O ATOM 794 CB PHE A 192 5.549 -7.406 -14.910 1.00 13.08 C ATOM 795 CG PHE A 192 5.630 -6.058 -14.253 1.00 12.24 C ATOM 796 CD1 PHE A 192 6.831 -5.365 -14.214 1.00 12.58 C ATOM 797 CD2 PHE A 192 4.502 -5.475 -13.701 1.00 11.92 C ATOM 798 CE1 PHE A 192 6.906 -4.113 -13.626 1.00 11.52 C ATOM 799 CE2 PHE A 192 4.568 -4.225 -13.113 1.00 13.37 C ATOM 800 CZ PHE A 192 5.771 -3.544 -13.076 1.00 13.32 C ATOM 801 H PHE A 192 3.364 -6.641 -16.144 1.00 0.00 H ATOM 802 N GLU A 193 6.549 -9.205 -17.375 1.00 13.50 N ATOM 803 CA GLU A 193 6.694 -10.503 -18.023 1.00 15.04 C ATOM 804 C GLU A 193 7.873 -11.227 -17.402 1.00 13.54 C ATOM 805 O GLU A 193 8.983 -10.697 -17.360 1.00 15.04 O ATOM 806 CB GLU A 193 6.899 -10.337 -19.536 1.00 20.01 C ATOM 807 CG GLU A 193 6.042 -9.239 -20.161 1.00 26.30 C ATOM 808 CD GLU A 193 6.576 -8.745 -21.496 1.00 30.59 C ATOM 809 OE1 GLU A 193 7.251 -7.685 -21.525 1.00 27.90 O ATOM 810 OE2 GLU A 193 6.301 -9.407 -22.518 1.00 22.92 O ATOM 811 H GLU A 193 7.403 -8.647 -17.172 1.00 0.00 H ATOM 812 N SER A 194 7.644 -12.436 -16.905 1.00 14.14 N ATOM 813 CA SER A 194 8.729 -13.196 -16.292 1.00 15.68 C ATOM 814 C SER A 194 9.923 -13.312 -17.232 1.00 15.74 C ATOM 815 O SER A 194 9.766 -13.559 -18.428 1.00 17.41 O ATOM 816 CB SER A 194 8.250 -14.586 -15.878 1.00 25.26 C ATOM 817 OG SER A 194 7.294 -14.491 -14.837 1.00 30.55 O ATOM 818 HG SER A 194 6.995 -15.399 -14.581 1.00 0.00 H ATOM 819 H SER A 194 6.688 -12.843 -16.952 1.00 0.00 H ATOM 820 N GLY A 195 11.114 -13.104 -16.684 1.00 12.22 N ATOM 821 CA GLY A 195 12.335 -13.211 -17.453 1.00 12.41 C ATOM 822 C GLY A 195 12.743 -11.980 -18.230 1.00 11.61 C ATOM 823 O GLY A 195 13.836 -11.957 -18.797 1.00 14.34 O ATOM 824 H GLY A 195 11.171 -12.858 -15.675 1.00 0.00 H ATOM 825 N LYS A 196 11.899 -10.949 -18.254 1.00 11.54 N ATOM 826 CA LYS A 196 12.162 -9.803 -19.127 1.00 11.44 C ATOM 827 C LYS A 196 12.461 -8.516 -18.374 1.00 9.96 C ATOM 828 O LYS A 196 11.962 -8.307 -17.269 1.00 10.52 O ATOM 829 CB LYS A 196 10.979 -9.549 -20.064 1.00 13.24 C ATOM 830 CG LYS A 196 10.643 -10.696 -21.015 1.00 12.75 C ATOM 831 CD LYS A 196 9.662 -10.177 -22.058 1.00 15.31 C ATOM 832 CE LYS A 196 9.033 -11.253 -22.906 1.00 19.84 C ATOM 833 NZ LYS A 196 8.240 -10.585 -24.004 1.00 19.68 N ATOM 834 HZ1 LYS A 196 7.503 -9.985 -23.582 1.00 0.00 H ATOM 835 HZ2 LYS A 196 8.876 -9.999 -24.582 1.00 0.00 H ATOM 836 HZ3 LYS A 196 7.797 -11.312 -24.602 1.00 0.00 H ATOM 837 H LYS A 196 11.051 -10.958 -17.651 1.00 0.00 H ATOM 838 N PRO A 197 13.277 -7.655 -18.980 1.00 11.33 N ATOM 839 CA PRO A 197 13.648 -6.375 -18.372 1.00 10.67 C ATOM 840 C PRO A 197 12.479 -5.407 -18.373 1.00 12.26 C ATOM 841 O PRO A 197 11.661 -5.390 -19.293 1.00 11.47 O ATOM 842 CB PRO A 197 14.788 -5.869 -19.260 1.00 14.48 C ATOM 843 CG PRO A 197 14.575 -6.560 -20.562 1.00 13.39 C ATOM 844 CD PRO A 197 13.984 -7.891 -20.252 1.00 13.52 C ATOM 845 N PHE A 198 12.411 -4.601 -17.319 1.00 10.49 N ATOM 846 CA PHE A 198 11.338 -3.628 -17.172 1.00 11.43 C ATOM 847 C PHE A 198 11.891 -2.311 -16.695 1.00 10.88 C ATOM 848 O PHE A 198 12.991 -2.254 -16.149 1.00 10.41 O ATOM 849 CB PHE A 198 10.292 -4.126 -16.177 1.00 10.41 C ATOM 850 CG PHE A 198 10.820 -4.269 -14.770 1.00 13.06 C ATOM 851 CD1 PHE A 198 10.893 -3.175 -13.923 1.00 12.15 C ATOM 852 CD2 PHE A 198 11.240 -5.505 -14.298 1.00 13.20 C ATOM 853 CE1 PHE A 198 11.387 -3.302 -12.630 1.00 11.14 C ATOM 854 CE2 PHE A 198 11.730 -5.649 -13.003 1.00 15.88 C ATOM 855 CZ PHE A 198 11.807 -4.550 -12.172 1.00 12.92 C ATOM 856 H PHE A 198 13.141 -4.667 -16.582 1.00 0.00 H ATOM 857 N LYS A 199 11.086 -1.269 -16.867 1.00 9.16 N ATOM 858 CA LYS A 199 11.319 0.026 -16.250 1.00 10.60 C ATOM 859 C LYS A 199 10.037 0.461 -15.581 1.00 12.19 C ATOM 860 O LYS A 199 8.989 0.503 -16.224 1.00 12.15 O ATOM 861 CB LYS A 199 11.746 1.068 -17.283 1.00 10.68 C ATOM 862 CG LYS A 199 11.819 2.480 -16.704 1.00 11.88 C ATOM 863 CD LYS A 199 12.441 3.463 -17.706 1.00 14.49 C ATOM 864 CE LYS A 199 11.553 3.647 -18.913 1.00 14.73 C ATOM 865 NZ LYS A 199 12.197 4.537 -19.933 1.00 20.13 N ATOM 866 HZ1 LYS A 199 12.380 5.470 -19.511 1.00 0.00 H ATOM 867 HZ2 LYS A 199 13.095 4.113 -20.244 1.00 0.00 H ATOM 868 HZ3 LYS A 199 11.561 4.643 -20.749 1.00 0.00 H ATOM 869 H LYS A 199 10.248 -1.385 -17.472 1.00 0.00 H ATOM 870 N ILE A 200 10.115 0.767 -14.286 1.00 8.55 N ATOM 871 CA ILE A 200 9.007 1.383 -13.575 1.00 9.54 C ATOM 872 C ILE A 200 9.371 2.834 -13.314 1.00 10.78 C ATOM 873 O ILE A 200 10.449 3.124 -12.780 1.00 11.72 O ATOM 874 CB ILE A 200 8.706 0.682 -12.230 1.00 9.27 C ATOM 875 CG1 ILE A 200 8.316 -0.780 -12.426 1.00 10.30 C ATOM 876 CG2 ILE A 200 7.609 1.422 -11.477 1.00 11.66 C ATOM 877 CD1 ILE A 200 8.238 -1.558 -11.104 1.00 13.57 C ATOM 878 H ILE A 200 10.994 0.559 -13.770 1.00 0.00 H ATOM 879 N GLN A 201 8.500 3.746 -13.721 1.00 9.40 N ATOM 880 CA GLN A 201 8.682 5.151 -13.370 1.00 9.08 C ATOM 881 C GLN A 201 7.514 5.589 -12.511 1.00 8.80 C ATOM 882 O GLN A 201 6.354 5.343 -12.844 1.00 10.81 O ATOM 883 CB GLN A 201 8.785 6.036 -14.610 1.00 11.12 C ATOM 884 CG GLN A 201 10.014 5.772 -15.466 1.00 14.91 C ATOM 885 CD GLN A 201 9.870 6.356 -16.858 1.00 23.12 C ATOM 886 OE1 GLN A 201 8.834 6.194 -17.512 1.00 26.61 O ATOM 887 NE2 GLN A 201 10.903 7.050 -17.314 1.00 30.10 N ATOM 888 HE22 GLN A 201 11.755 7.160 -16.728 1.00 0.00 H ATOM 889 HE21 GLN A 201 10.862 7.485 -18.258 1.00 0.00 H ATOM 890 H GLN A 201 7.681 3.459 -14.294 1.00 0.00 H ATOM 891 N VAL A 202 7.823 6.236 -11.391 1.00 8.91 N ATOM 892 CA VAL A 202 6.794 6.747 -10.514 1.00 10.17 C ATOM 893 C VAL A 202 6.970 8.246 -10.449 1.00 9.87 C ATOM 894 O VAL A 202 8.000 8.742 -9.983 1.00 10.89 O ATOM 895 CB VAL A 202 6.869 6.135 -9.095 1.00 8.80 C ATOM 896 CG1 VAL A 202 5.775 6.714 -8.209 1.00 10.52 C ATOM 897 CG2 VAL A 202 6.774 4.616 -9.154 1.00 10.95 C ATOM 898 H VAL A 202 8.823 6.377 -11.142 1.00 0.00 H ATOM 899 N LEU A 203 5.987 8.960 -10.982 1.00 8.43 N ATOM 900 CA LEU A 203 5.992 10.418 -10.946 1.00 10.15 C ATOM 901 C LEU A 203 5.092 10.871 -9.818 1.00 11.25 C ATOM 902 O LEU A 203 3.924 10.512 -9.763 1.00 11.59 O ATOM 903 CB LEU A 203 5.520 11.001 -12.275 1.00 12.75 C ATOM 904 CG LEU A 203 5.386 12.521 -12.328 1.00 13.85 C ATOM 905 CD1 LEU A 203 6.720 13.180 -12.019 1.00 13.73 C ATOM 906 CD2 LEU A 203 4.893 12.937 -13.697 1.00 18.54 C ATOM 907 H LEU A 203 5.192 8.467 -11.437 1.00 0.00 H ATOM 908 N VAL A 204 5.643 11.665 -8.910 1.00 9.47 N ATOM 909 CA VAL A 204 4.831 12.228 -7.843 1.00 11.38 C ATOM 910 C VAL A 204 4.092 13.456 -8.360 1.00 10.12 C ATOM 911 O VAL A 204 4.703 14.378 -8.884 1.00 12.11 O ATOM 912 CB VAL A 204 5.686 12.594 -6.640 1.00 9.82 C ATOM 913 CG1 VAL A 204 4.796 13.124 -5.525 1.00 11.68 C ATOM 914 CG2 VAL A 204 6.483 11.373 -6.181 1.00 11.69 C ATOM 915 H VAL A 204 6.658 11.886 -8.961 1.00 0.00 H ATOM 916 N GLU A 205 2.770 13.423 -8.255 1.00 9.16 N ATOM 917 CA GLU A 205 1.937 14.535 -8.680 1.00 12.98 C ATOM 918 C GLU A 205 1.230 15.062 -7.433 1.00 10.98 C ATOM 919 O GLU A 205 1.274 14.423 -6.385 1.00 12.81 O ATOM 920 CB GLU A 205 0.969 14.084 -9.777 1.00 17.12 C ATOM 921 CG GLU A 205 1.709 13.636 -11.034 1.00 15.91 C ATOM 922 CD GLU A 205 0.847 13.691 -12.271 1.00 27.42 C ATOM 923 OE1 GLU A 205 1.205 14.443 -13.207 1.00 31.73 O ATOM 924 OE2 GLU A 205 -0.180 12.980 -12.315 1.00 26.71 O ATOM 925 H GLU A 205 2.316 12.576 -7.857 1.00 0.00 H ATOM 926 N PRO A 206 0.609 16.245 -7.527 1.00 12.43 N ATOM 927 CA PRO A 206 0.044 16.813 -6.300 1.00 13.37 C ATOM 928 C PRO A 206 -0.972 15.901 -5.604 1.00 13.66 C ATOM 929 O PRO A 206 -0.995 15.878 -4.370 1.00 12.80 O ATOM 930 CB PRO A 206 -0.614 18.100 -6.793 1.00 14.08 C ATOM 931 CG PRO A 206 0.264 18.514 -7.956 1.00 13.67 C ATOM 932 CD PRO A 206 0.637 17.222 -8.633 1.00 14.18 C ATOM 933 N ASP A 207 -1.758 15.136 -6.358 1.00 12.98 N ATOM 934 CA ASP A 207 -2.824 14.366 -5.727 1.00 12.88 C ATOM 935 C ASP A 207 -2.679 12.865 -5.887 1.00 11.73 C ATOM 936 O ASP A 207 -3.466 12.109 -5.331 1.00 11.42 O ATOM 937 CB ASP A 207 -4.172 14.834 -6.257 1.00 17.86 C ATOM 938 CG ASP A 207 -4.476 16.258 -5.836 1.00 20.02 C ATOM 939 OD1 ASP A 207 -4.189 16.601 -4.670 1.00 17.88 O ATOM 940 OD2 ASP A 207 -4.948 17.046 -6.674 1.00 25.17 O ATOM 941 H ASP A 207 -1.614 15.088 -7.387 1.00 0.00 H ATOM 942 N HIS A 208 -1.662 12.428 -6.625 1.00 11.48 N ATOM 943 CA HIS A 208 -1.457 10.990 -6.786 1.00 11.23 C ATOM 944 C HIS A 208 -0.034 10.658 -7.164 1.00 10.43 C ATOM 945 O HIS A 208 0.726 11.518 -7.606 1.00 11.39 O ATOM 946 CB HIS A 208 -2.404 10.422 -7.851 1.00 14.93 C ATOM 947 CG HIS A 208 -2.489 11.259 -9.083 1.00 21.84 C ATOM 948 ND1 HIS A 208 -3.507 12.164 -9.295 1.00 23.58 N ATOM 949 CD2 HIS A 208 -1.675 11.345 -10.162 1.00 25.58 C ATOM 950 CE1 HIS A 208 -3.319 12.767 -10.456 1.00 28.04 C ATOM 951 NE2 HIS A 208 -2.216 12.288 -11.002 1.00 30.51 N ATOM 952 H HIS A 208 -1.018 13.104 -7.083 1.00 0.00 H ATOM 953 N PHE A 209 0.315 9.389 -6.974 1.00 9.51 N ATOM 954 CA PHE A 209 1.456 8.797 -7.644 1.00 10.14 C ATOM 955 C PHE A 209 1.016 8.364 -9.042 1.00 10.93 C ATOM 956 O PHE A 209 -0.006 7.697 -9.180 1.00 13.73 O ATOM 957 CB PHE A 209 1.969 7.575 -6.883 1.00 10.15 C ATOM 958 CG PHE A 209 2.558 7.884 -5.546 1.00 9.41 C ATOM 959 CD1 PHE A 209 3.875 8.294 -5.431 1.00 11.36 C ATOM 960 CD2 PHE A 209 1.802 7.730 -4.395 1.00 10.84 C ATOM 961 CE1 PHE A 209 4.426 8.562 -4.187 1.00 13.34 C ATOM 962 CE2 PHE A 209 2.347 7.993 -3.149 1.00 11.92 C ATOM 963 CZ PHE A 209 3.656 8.399 -3.043 1.00 12.62 C ATOM 964 H PHE A 209 -0.248 8.803 -6.325 1.00 0.00 H ATOM 965 N LYS A 210 1.774 8.742 -10.063 1.00 8.82 N ATOM 966 CA LYS A 210 1.499 8.305 -11.429 1.00 11.05 C ATOM 967 C LYS A 210 2.537 7.258 -11.836 1.00 11.89 C ATOM 968 O LYS A 210 3.731 7.535 -11.807 1.00 13.43 O ATOM 969 CB LYS A 210 1.529 9.496 -12.387 1.00 13.61 C ATOM 970 CG LYS A 210 1.146 9.171 -13.825 1.00 16.64 C ATOM 971 CD LYS A 210 1.228 10.435 -14.678 1.00 19.22 C ATOM 972 CE LYS A 210 0.669 10.207 -16.078 1.00 25.61 C ATOM 973 NZ LYS A 210 1.412 9.144 -16.826 1.00 32.37 N ATOM 974 HZ1 LYS A 210 2.410 9.421 -16.920 1.00 0.00 H ATOM 975 HZ2 LYS A 210 1.348 8.246 -16.305 1.00 0.00 H ATOM 976 HZ3 LYS A 210 0.992 9.029 -17.771 1.00 0.00 H ATOM 977 H LYS A 210 2.586 9.367 -9.886 1.00 0.00 H ATOM 978 N VAL A 211 2.090 6.061 -12.206 1.00 9.83 N ATOM 979 CA VAL A 211 3.021 4.989 -12.526 1.00 8.77 C ATOM 980 C VAL A 211 2.990 4.624 -14.001 1.00 10.39 C ATOM 981 O VAL A 211 1.921 4.393 -14.556 1.00 9.69 O ATOM 982 CB VAL A 211 2.721 3.730 -11.712 1.00 9.32 C ATOM 983 CG1 VAL A 211 3.692 2.621 -12.093 1.00 10.75 C ATOM 984 CG2 VAL A 211 2.830 4.026 -10.214 1.00 10.73 C ATOM 985 H VAL A 211 1.066 5.890 -12.267 1.00 0.00 H ATOM 986 N ALA A 212 4.168 4.586 -14.619 1.00 9.55 N ATOM 987 CA ALA A 212 4.319 4.093 -15.988 1.00 9.40 C ATOM 988 C ALA A 212 5.301 2.919 -16.016 1.00 10.34 C ATOM 989 O ALA A 212 6.303 2.906 -15.290 1.00 10.94 O ATOM 990 CB ALA A 212 4.796 5.207 -16.906 1.00 10.94 C ATOM 991 H ALA A 212 5.012 4.919 -14.110 1.00 0.00 H ATOM 992 N VAL A 213 5.014 1.917 -16.838 1.00 10.60 N ATOM 993 CA VAL A 213 5.921 0.777 -16.965 1.00 10.10 C ATOM 994 C VAL A 213 6.310 0.653 -18.433 1.00 11.88 C ATOM 995 O VAL A 213 5.439 0.642 -19.310 1.00 12.37 O ATOM 996 CB VAL A 213 5.288 -0.521 -16.460 1.00 11.36 C ATOM 997 CG1 VAL A 213 6.215 -1.715 -16.740 1.00 12.44 C ATOM 998 CG2 VAL A 213 4.956 -0.419 -14.960 1.00 11.90 C ATOM 999 H VAL A 213 4.137 1.943 -17.396 1.00 0.00 H ATOM 1000 N ASN A 214 7.612 0.597 -18.693 1.00 9.76 N ATOM 1001 CA ASN A 214 8.138 0.530 -20.060 1.00 11.19 C ATOM 1002 C ASN A 214 7.560 1.633 -20.934 1.00 13.80 C ATOM 1003 O ASN A 214 7.172 1.392 -22.083 1.00 16.11 O ATOM 1004 CB ASN A 214 7.853 -0.837 -20.691 1.00 11.65 C ATOM 1005 CG ASN A 214 8.465 -1.990 -19.904 1.00 11.19 C ATOM 1006 OD1 ASN A 214 9.359 -1.797 -19.072 1.00 12.48 O ATOM 1007 ND2 ASN A 214 7.988 -3.199 -20.173 1.00 14.47 N ATOM 1008 HD22 ASN A 214 7.235 -3.315 -20.881 1.00 0.00 H ATOM 1009 HD21 ASN A 214 8.367 -4.030 -19.676 1.00 0.00 H ATOM 1010 H ASN A 214 8.282 0.601 -17.898 1.00 0.00 H ATOM 1011 N ASP A 215 7.465 2.821 -20.346 1.00 11.48 N ATOM 1012 CA ASP A 215 7.048 4.057 -21.018 1.00 14.60 C ATOM 1013 C ASP A 215 5.564 4.114 -21.359 1.00 20.22 C ATOM 1014 O ASP A 215 5.134 4.989 -22.104 1.00 20.29 O ATOM 1015 CB ASP A 215 7.878 4.276 -22.286 1.00 18.50 C ATOM 1016 CG ASP A 215 9.323 4.568 -21.979 1.00 23.90 C ATOM 1017 OD1 ASP A 215 9.572 5.455 -21.141 1.00 26.69 O ATOM 1018 OD2 ASP A 215 10.208 3.904 -22.557 1.00 34.16 O ATOM 1019 H ASP A 215 7.704 2.879 -19.335 1.00 0.00 H ATOM 1020 N ALA A 216 4.780 3.200 -20.805 1.00 15.30 N ATOM 1021 CA ALA A 216 3.338 3.236 -20.989 1.00 16.35 C ATOM 1022 C ALA A 216 2.662 3.503 -19.651 1.00 15.71 C ATOM 1023 O ALA A 216 2.948 2.823 -18.662 1.00 12.56 O ATOM 1024 CB ALA A 216 2.837 1.931 -21.599 1.00 15.62 C ATOM 1025 H ALA A 216 5.203 2.444 -20.229 1.00 0.00 H ATOM 1026 N HIS A 217 1.789 4.506 -19.616 1.00 14.88 N ATOM 1027 CA HIS A 217 1.027 4.794 -18.406 1.00 13.68 C ATOM 1028 C HIS A 217 0.265 3.562 -17.930 1.00 15.19 C ATOM 1029 O HIS A 217 -0.404 2.880 -18.712 1.00 16.00 O ATOM 1030 CB HIS A 217 0.044 5.948 -18.630 1.00 13.10 C ATOM 1031 CG HIS A 217 -0.857 6.184 -17.459 1.00 17.36 C ATOM 1032 ND1 HIS A 217 -0.435 6.841 -16.324 1.00 19.41 N ATOM 1033 CD2 HIS A 217 -2.135 5.806 -17.222 1.00 19.66 C ATOM 1034 CE1 HIS A 217 -1.422 6.878 -15.446 1.00 20.67 C ATOM 1035 NE2 HIS A 217 -2.465 6.256 -15.965 1.00 18.57 N ATOM 1036 H HIS A 217 1.648 5.093 -20.463 1.00 0.00 H ATOM 1037 N LEU A 218 0.369 3.285 -16.635 1.00 12.21 N ATOM 1038 CA LEU A 218 -0.264 2.112 -16.063 1.00 12.64 C ATOM 1039 C LEU A 218 -1.384 2.461 -15.086 1.00 14.07 C ATOM 1040 O LEU A 218 -2.505 1.985 -15.222 1.00 14.00 O ATOM 1041 CB LEU A 218 0.775 1.250 -15.359 1.00 11.60 C ATOM 1042 CG LEU A 218 0.218 0.029 -14.633 1.00 13.11 C ATOM 1043 CD1 LEU A 218 -0.514 -0.927 -15.585 1.00 17.26 C ATOM 1044 CD2 LEU A 218 1.342 -0.675 -13.911 1.00 13.91 C ATOM 1045 H LEU A 218 0.915 3.921 -16.020 1.00 0.00 H ATOM 1046 N LEU A 219 -1.082 3.271 -14.077 1.00 11.41 N ATOM 1047 CA LEU A 219 -2.103 3.588 -13.081 1.00 11.68 C ATOM 1048 C LEU A 219 -1.782 4.863 -12.326 1.00 10.32 C ATOM 1049 O LEU A 219 -0.666 5.374 -12.380 1.00 11.33 O ATOM 1050 CB LEU A 219 -2.275 2.428 -12.088 1.00 12.64 C ATOM 1051 CG LEU A 219 -1.078 1.997 -11.226 1.00 11.71 C ATOM 1052 CD1 LEU A 219 -0.883 2.852 -9.978 1.00 14.17 C ATOM 1053 CD2 LEU A 219 -1.229 0.539 -10.817 1.00 13.68 C ATOM 1054 H LEU A 219 -0.127 3.676 -13.997 1.00 0.00 H ATOM 1055 N GLN A 220 -2.783 5.369 -11.620 1.00 11.70 N ATOM 1056 CA GLN A 220 -2.570 6.452 -10.670 1.00 12.50 C ATOM 1057 C GLN A 220 -3.073 5.989 -9.312 1.00 11.30 C ATOM 1058 O GLN A 220 -4.016 5.206 -9.226 1.00 15.57 O ATOM 1059 CB GLN A 220 -3.281 7.738 -11.106 1.00 17.65 C ATOM 1060 CG GLN A 220 -2.766 8.327 -12.419 1.00 20.57 C ATOM 1061 CD GLN A 220 -3.539 9.558 -12.853 1.00 31.79 C ATOM 1062 OE1 GLN A 220 -4.541 9.928 -12.239 1.00 31.98 O ATOM 1063 NE2 GLN A 220 -3.077 10.198 -13.920 1.00 34.41 N ATOM 1064 HE22 GLN A 220 -2.227 9.850 -14.408 1.00 0.00 H ATOM 1065 HE21 GLN A 220 -3.565 11.048 -14.268 1.00 0.00 H ATOM 1066 H GLN A 220 -3.741 4.984 -11.747 1.00 0.00 H ATOM 1067 N TYR A 221 -2.430 6.463 -8.247 1.00 10.51 N ATOM 1068 CA TYR A 221 -2.819 6.091 -6.896 1.00 11.18 C ATOM 1069 C TYR A 221 -2.958 7.351 -6.069 1.00 10.32 C ATOM 1070 O TYR A 221 -1.963 8.018 -5.792 1.00 10.75 O ATOM 1071 CB TYR A 221 -1.789 5.149 -6.272 1.00 10.06 C ATOM 1072 CG TYR A 221 -2.194 4.566 -4.935 1.00 10.29 C ATOM 1073 CD1 TYR A 221 -2.966 3.418 -4.867 1.00 9.60 C ATOM 1074 CD2 TYR A 221 -1.793 5.161 -3.741 1.00 10.21 C ATOM 1075 CE1 TYR A 221 -3.330 2.865 -3.646 1.00 11.30 C ATOM 1076 CE2 TYR A 221 -2.151 4.614 -2.509 1.00 9.64 C ATOM 1077 CZ TYR A 221 -2.922 3.474 -2.476 1.00 11.23 C ATOM 1078 OH TYR A 221 -3.279 2.928 -1.264 1.00 11.38 O ATOM 1079 HH TYR A 221 -2.463 2.684 -0.760 1.00 0.00 H ATOM 1080 H TYR A 221 -1.631 7.114 -8.384 1.00 0.00 H ATOM 1081 N ASN A 222 -4.195 7.676 -5.697 1.00 11.08 N ATOM 1082 CA ASN A 222 -4.491 8.889 -4.935 1.00 11.06 C ATOM 1083 C ASN A 222 -3.764 8.897 -3.585 1.00 12.46 C ATOM 1084 O ASN A 222 -3.681 7.864 -2.921 1.00 12.12 O ATOM 1085 CB ASN A 222 -6.008 9.006 -4.733 1.00 13.66 C ATOM 1086 CG ASN A 222 -6.442 10.397 -4.276 1.00 20.22 C ATOM 1087 OD1 ASN A 222 -6.435 11.346 -5.062 1.00 25.76 O ATOM 1088 ND2 ASN A 222 -6.852 10.514 -3.013 1.00 20.56 N ATOM 1089 HD22 ASN A 222 -6.841 9.686 -2.384 1.00 0.00 H ATOM 1090 HD21 ASN A 222 -7.183 11.433 -2.657 1.00 0.00 H ATOM 1091 H ASN A 222 -4.979 7.044 -5.958 1.00 0.00 H ATOM 1092 N HIS A 223 -3.220 10.045 -3.185 1.00 10.19 N ATOM 1093 CA HIS A 223 -2.503 10.130 -1.907 1.00 9.81 C ATOM 1094 C HIS A 223 -3.432 9.911 -0.724 1.00 12.29 C ATOM 1095 O HIS A 223 -4.337 10.712 -0.481 1.00 14.43 O ATOM 1096 CB HIS A 223 -1.811 11.491 -1.742 1.00 9.14 C ATOM 1097 CG HIS A 223 -0.705 11.731 -2.717 1.00 10.64 C ATOM 1098 ND1 HIS A 223 0.305 10.821 -2.928 1.00 9.18 N ATOM 1099 CD2 HIS A 223 -0.447 12.780 -3.537 1.00 10.26 C ATOM 1100 CE1 HIS A 223 1.145 11.296 -3.830 1.00 11.05 C ATOM 1101 NE2 HIS A 223 0.707 12.480 -4.222 1.00 11.92 N ATOM 1102 H HIS A 223 -3.304 10.890 -3.785 1.00 0.00 H ATOM 1103 N ARG A 224 -3.192 8.837 0.022 1.00 9.71 N ATOM 1104 CA ARG A 224 -3.914 8.591 1.270 1.00 11.30 C ATOM 1105 C ARG A 224 -3.106 9.140 2.428 1.00 11.37 C ATOM 1106 O ARG A 224 -3.656 9.742 3.358 1.00 12.20 O ATOM 1107 CB ARG A 224 -4.170 7.106 1.467 1.00 11.70 C ATOM 1108 CG ARG A 224 -4.963 6.491 0.344 1.00 12.24 C ATOM 1109 CD ARG A 224 -5.324 5.070 0.681 1.00 10.81 C ATOM 1110 NE ARG A 224 -5.867 4.375 -0.486 1.00 11.22 N ATOM 1111 CZ ARG A 224 -6.191 3.088 -0.482 1.00 12.92 C ATOM 1112 NH1 ARG A 224 -6.029 2.374 0.617 1.00 13.25 N ATOM 1113 NH2 ARG A 224 -6.671 2.514 -1.577 1.00 13.91 N ATOM 1114 HE ARG A 224 -6.006 4.917 -1.363 1.00 0.00 H ATOM 1115 HH12 ARG A 224 -6.282 1.365 0.624 1.00 0.00 H ATOM 1116 HH11 ARG A 224 -5.649 2.820 1.476 1.00 0.00 H ATOM 1117 HH22 ARG A 224 -6.923 1.505 -1.567 1.00 0.00 H ATOM 1118 HH21 ARG A 224 -6.795 3.073 -2.445 1.00 0.00 H ATOM 1119 H ARG A 224 -2.472 8.154 -0.290 1.00 0.00 H ATOM 1120 N VAL A 225 -1.795 8.927 2.355 1.00 10.08 N ATOM 1121 CA VAL A 225 -0.845 9.563 3.260 1.00 12.15 C ATOM 1122 C VAL A 225 -0.508 10.924 2.672 1.00 11.27 C ATOM 1123 O VAL A 225 0.059 11.014 1.578 1.00 12.19 O ATOM 1124 CB VAL A 225 0.429 8.720 3.440 1.00 12.90 C ATOM 1125 CG1 VAL A 225 1.498 9.499 4.196 1.00 11.71 C ATOM 1126 CG2 VAL A 225 0.097 7.406 4.137 1.00 11.79 C ATOM 1127 H VAL A 225 -1.434 8.282 1.624 1.00 0.00 H ATOM 1128 N LYS A 226 -0.877 11.990 3.371 1.00 10.10 N ATOM 1129 CA LYS A 226 -0.851 13.315 2.767 1.00 11.30 C ATOM 1130 C LYS A 226 0.364 14.135 3.182 1.00 13.00 C ATOM 1131 O LYS A 226 0.624 15.192 2.611 1.00 12.45 O ATOM 1132 CB LYS A 226 -2.150 14.045 3.109 1.00 14.39 C ATOM 1133 CG LYS A 226 -3.365 13.205 2.691 1.00 15.97 C ATOM 1134 CD LYS A 226 -4.682 13.922 2.871 1.00 16.08 C ATOM 1135 CE LYS A 226 -5.838 13.017 2.450 1.00 14.81 C ATOM 1136 NZ LYS A 226 -5.885 12.845 0.964 1.00 11.98 N ATOM 1137 HZ1 LYS A 226 -6.011 13.773 0.513 1.00 0.00 H ATOM 1138 HZ2 LYS A 226 -4.995 12.417 0.637 1.00 0.00 H ATOM 1139 HZ3 LYS A 226 -6.681 12.225 0.713 1.00 0.00 H ATOM 1140 H LYS A 226 -1.187 11.878 4.357 1.00 0.00 H ATOM 1141 N LYS A 227 1.112 13.641 4.164 1.00 10.93 N ATOM 1142 CA LYS A 227 2.368 14.283 4.542 1.00 10.40 C ATOM 1143 C LYS A 227 3.500 13.803 3.633 1.00 9.80 C ATOM 1144 O LYS A 227 4.319 12.958 4.017 1.00 11.55 O ATOM 1145 CB LYS A 227 2.675 14.005 6.018 1.00 10.49 C ATOM 1146 CG LYS A 227 1.640 14.648 6.937 1.00 12.73 C ATOM 1147 CD LYS A 227 1.814 14.218 8.375 1.00 16.60 C ATOM 1148 CE LYS A 227 0.840 14.971 9.263 1.00 21.58 C ATOM 1149 NZ LYS A 227 1.124 16.430 9.254 1.00 32.70 N ATOM 1150 HZ1 LYS A 227 2.089 16.596 9.603 1.00 0.00 H ATOM 1151 HZ2 LYS A 227 1.038 16.793 8.283 1.00 0.00 H ATOM 1152 HZ3 LYS A 227 0.443 16.918 9.869 1.00 0.00 H ATOM 1153 H LYS A 227 0.799 12.787 4.669 1.00 0.00 H ATOM 1154 N LEU A 228 3.527 14.341 2.414 1.00 12.07 N ATOM 1155 CA LEU A 228 4.411 13.835 1.372 1.00 12.09 C ATOM 1156 C LEU A 228 5.877 13.948 1.757 1.00 9.80 C ATOM 1157 O LEU A 228 6.661 13.054 1.448 1.00 11.61 O ATOM 1158 CB LEU A 228 4.172 14.571 0.048 1.00 11.12 C ATOM 1159 CG LEU A 228 2.770 14.485 -0.555 1.00 12.17 C ATOM 1160 CD1 LEU A 228 2.740 15.187 -1.917 1.00 11.59 C ATOM 1161 CD2 LEU A 228 2.311 13.028 -0.675 1.00 12.70 C ATOM 1162 H LEU A 228 2.901 15.143 2.201 1.00 0.00 H ATOM 1163 N ASN A 229 6.249 15.040 2.427 1.00 11.82 N ATOM 1164 CA ASN A 229 7.635 15.220 2.847 1.00 12.22 C ATOM 1165 C ASN A 229 8.095 14.221 3.915 1.00 11.77 C ATOM 1166 O ASN A 229 9.266 14.199 4.280 1.00 14.33 O ATOM 1167 CB ASN A 229 7.853 16.650 3.368 1.00 14.79 C ATOM 1168 CG ASN A 229 7.250 16.863 4.736 1.00 18.54 C ATOM 1169 OD1 ASN A 229 6.108 16.492 4.991 1.00 22.03 O ATOM 1170 ND2 ASN A 229 8.031 17.446 5.640 1.00 38.04 N ATOM 1171 HD22 ASN A 229 8.993 17.745 5.381 1.00 0.00 H ATOM 1172 HD21 ASN A 229 7.680 17.603 6.606 1.00 0.00 H ATOM 1173 H ASN A 229 5.544 15.771 2.652 1.00 0.00 H ATOM 1174 N GLU A 230 7.179 13.401 4.420 1.00 11.09 N ATOM 1175 CA GLU A 230 7.543 12.406 5.424 1.00 10.58 C ATOM 1176 C GLU A 230 7.660 11.011 4.829 1.00 10.45 C ATOM 1177 O GLU A 230 8.006 10.058 5.536 1.00 10.42 O ATOM 1178 CB GLU A 230 6.525 12.408 6.568 1.00 12.11 C ATOM 1179 CG GLU A 230 6.567 13.731 7.333 1.00 14.22 C ATOM 1180 CD GLU A 230 5.709 13.751 8.585 1.00 17.95 C ATOM 1181 OE1 GLU A 230 5.170 12.704 8.978 1.00 18.52 O ATOM 1182 OE2 GLU A 230 5.570 14.842 9.178 1.00 20.75 O ATOM 1183 H GLU A 230 6.193 13.469 4.097 1.00 0.00 H ATOM 1184 N ILE A 231 7.365 10.900 3.536 1.00 10.06 N ATOM 1185 CA ILE A 231 7.492 9.636 2.823 1.00 8.72 C ATOM 1186 C ILE A 231 8.928 9.570 2.315 1.00 9.79 C ATOM 1187 O ILE A 231 9.228 9.996 1.200 1.00 11.82 O ATOM 1188 CB ILE A 231 6.476 9.520 1.676 1.00 7.21 C ATOM 1189 CG1 ILE A 231 5.054 9.742 2.214 1.00 10.27 C ATOM 1190 CG2 ILE A 231 6.628 8.157 0.965 1.00 9.09 C ATOM 1191 CD1 ILE A 231 3.988 9.945 1.123 1.00 12.06 C ATOM 1192 H ILE A 231 7.034 11.740 3.020 1.00 0.00 H ATOM 1193 N SER A 232 9.820 9.062 3.163 1.00 9.91 N ATOM 1194 CA SER A 232 11.245 9.285 2.945 1.00 11.09 C ATOM 1195 C SER A 232 12.069 8.034 2.658 1.00 12.21 C ATOM 1196 O SER A 232 13.293 8.070 2.740 1.00 11.86 O ATOM 1197 CB SER A 232 11.837 10.016 4.154 1.00 18.35 C ATOM 1198 OG SER A 232 11.634 9.277 5.339 1.00 22.22 O ATOM 1199 HG SER A 232 10.663 9.152 5.486 1.00 0.00 H ATOM 1200 H SER A 232 9.500 8.506 3.982 1.00 0.00 H ATOM 1201 N LYS A 233 11.412 6.928 2.327 1.00 9.15 N ATOM 1202 CA LYS A 233 12.139 5.716 1.960 1.00 13.12 C ATOM 1203 C LYS A 233 11.331 4.983 0.915 1.00 11.21 C ATOM 1204 O LYS A 233 10.107 4.966 0.997 1.00 11.12 O ATOM 1205 CB LYS A 233 12.357 4.790 3.167 1.00 15.87 C ATOM 1206 CG LYS A 233 13.350 5.249 4.233 1.00 31.06 C ATOM 1207 CD LYS A 233 14.771 5.398 3.703 1.00 33.89 C ATOM 1208 CE LYS A 233 15.788 5.422 4.845 1.00 34.84 C ATOM 1209 NZ LYS A 233 16.801 6.503 4.667 1.00 40.13 N ATOM 1210 HZ1 LYS A 233 17.315 6.351 3.776 1.00 0.00 H ATOM 1211 HZ2 LYS A 233 16.321 7.425 4.639 1.00 0.00 H ATOM 1212 HZ3 LYS A 233 17.470 6.484 5.463 1.00 0.00 H ATOM 1213 H LYS A 233 10.372 6.925 2.329 1.00 0.00 H ATOM 1214 N LEU A 234 12.015 4.396 -0.065 1.00 10.26 N ATOM 1215 CA LEU A 234 11.392 3.453 -0.980 1.00 11.61 C ATOM 1216 C LEU A 234 12.031 2.082 -0.812 1.00 11.49 C ATOM 1217 O LEU A 234 13.231 1.940 -0.998 1.00 13.07 O ATOM 1218 CB LEU A 234 11.529 3.917 -2.432 1.00 11.65 C ATOM 1219 CG LEU A 234 11.132 2.857 -3.463 1.00 11.43 C ATOM 1220 CD1 LEU A 234 9.642 2.547 -3.352 1.00 13.36 C ATOM 1221 CD2 LEU A 234 11.487 3.312 -4.867 1.00 14.92 C ATOM 1222 H LEU A 234 13.024 4.618 -0.179 1.00 0.00 H ATOM 1223 N GLY A 235 11.231 1.079 -0.459 1.00 10.06 N ATOM 1224 CA GLY A 235 11.708 -0.291 -0.389 1.00 10.92 C ATOM 1225 C GLY A 235 11.353 -1.028 -1.665 1.00 12.67 C ATOM 1226 O GLY A 235 10.255 -0.862 -2.188 1.00 12.92 O ATOM 1227 H GLY A 235 10.238 1.282 -0.227 1.00 0.00 H ATOM 1228 N ILE A 236 12.294 -1.809 -2.186 1.00 10.39 N ATOM 1229 CA ILE A 236 12.073 -2.597 -3.397 1.00 12.50 C ATOM 1230 C ILE A 236 12.332 -4.068 -3.081 1.00 12.99 C ATOM 1231 O ILE A 236 13.414 -4.423 -2.612 1.00 15.55 O ATOM 1232 CB ILE A 236 12.998 -2.143 -4.541 1.00 10.64 C ATOM 1233 CG1 ILE A 236 12.867 -0.643 -4.778 1.00 14.23 C ATOM 1234 CG2 ILE A 236 12.691 -2.910 -5.827 1.00 12.31 C ATOM 1235 CD1 ILE A 236 14.035 -0.061 -5.528 1.00 23.74 C ATOM 1236 H ILE A 236 13.220 -1.861 -1.715 1.00 0.00 H ATOM 1237 N SER A 237 11.340 -4.923 -3.311 1.00 11.59 N ATOM 1238 CA SER A 237 11.474 -6.327 -2.950 1.00 13.52 C ATOM 1239 C SER A 237 10.837 -7.236 -3.982 1.00 13.55 C ATOM 1240 O SER A 237 10.164 -6.779 -4.912 1.00 14.20 O ATOM 1241 CB SER A 237 10.848 -6.593 -1.585 1.00 18.70 C ATOM 1242 OG SER A 237 9.459 -6.325 -1.617 1.00 21.76 O ATOM 1243 HG SER A 237 9.313 -5.376 -1.860 1.00 0.00 H ATOM 1244 H SER A 237 10.461 -4.586 -3.753 1.00 0.00 H ATOM 1245 N GLY A 238 11.048 -8.534 -3.810 1.00 16.55 N ATOM 1246 CA GLY A 238 10.378 -9.500 -4.651 1.00 16.41 C ATOM 1247 C GLY A 238 11.272 -10.138 -5.682 1.00 17.83 C ATOM 1248 O GLY A 238 12.502 -10.087 -5.595 1.00 15.00 O ATOM 1249 H GLY A 238 11.699 -8.858 -3.066 1.00 0.00 H ATOM 1250 N ASP A 239 10.634 -10.736 -6.679 1.00 14.42 N ATOM 1251 CA ASP A 239 11.315 -11.656 -7.575 1.00 13.54 C ATOM 1252 C ASP A 239 11.913 -10.964 -8.794 1.00 17.53 C ATOM 1253 O ASP A 239 11.506 -11.208 -9.929 1.00 16.42 O ATOM 1254 CB ASP A 239 10.336 -12.758 -7.989 1.00 15.15 C ATOM 1255 CG ASP A 239 9.802 -13.536 -6.788 1.00 14.35 C ATOM 1256 OD1 ASP A 239 10.583 -13.781 -5.836 1.00 21.32 O ATOM 1257 OD2 ASP A 239 8.600 -13.883 -6.776 1.00 15.68 O ATOM 1258 H ASP A 239 9.622 -10.542 -6.823 1.00 0.00 H ATOM 1259 N ILE A 240 12.881 -10.084 -8.540 1.00 13.64 N ATOM 1260 CA ILE A 240 13.561 -9.371 -9.608 1.00 15.49 C ATOM 1261 C ILE A 240 15.063 -9.360 -9.428 1.00 16.27 C ATOM 1262 O ILE A 240 15.577 -9.512 -8.319 1.00 18.89 O ATOM 1263 CB ILE A 240 13.089 -7.911 -9.714 1.00 15.92 C ATOM 1264 CG1 ILE A 240 13.381 -7.155 -8.414 1.00 17.21 C ATOM 1265 CG2 ILE A 240 11.619 -7.852 -10.059 1.00 16.19 C ATOM 1266 CD1 ILE A 240 13.146 -5.646 -8.536 1.00 18.61 C ATOM 1267 H ILE A 240 13.156 -9.903 -7.554 1.00 0.00 H ATOM 1268 N ASP A 241 15.759 -9.199 -10.546 1.00 16.21 N ATOM 1269 CA ASP A 241 17.138 -8.762 -10.529 1.00 16.26 C ATOM 1270 C ASP A 241 17.092 -7.252 -10.636 1.00 15.74 C ATOM 1271 O ASP A 241 16.577 -6.717 -11.620 1.00 16.56 O ATOM 1272 CB ASP A 241 17.931 -9.373 -11.683 1.00 19.24 C ATOM 1273 CG ASP A 241 18.132 -10.872 -11.527 1.00 31.28 C ATOM 1274 OD1 ASP A 241 18.148 -11.583 -12.554 1.00 36.68 O ATOM 1275 OD2 ASP A 241 18.271 -11.339 -10.377 1.00 34.32 O ATOM 1276 H ASP A 241 15.301 -9.392 -11.459 1.00 0.00 H ATOM 1277 N LEU A 242 17.604 -6.560 -9.630 1.00 14.92 N ATOM 1278 CA LEU A 242 17.524 -5.107 -9.624 1.00 13.48 C ATOM 1279 C LEU A 242 18.751 -4.464 -10.266 1.00 12.95 C ATOM 1280 O LEU A 242 19.884 -4.711 -9.857 1.00 16.02 O ATOM 1281 CB LEU A 242 17.343 -4.607 -8.189 1.00 12.59 C ATOM 1282 CG LEU A 242 17.241 -3.098 -7.990 1.00 13.20 C ATOM 1283 CD1 LEU A 242 16.024 -2.512 -8.695 1.00 14.28 C ATOM 1284 CD2 LEU A 242 17.185 -2.790 -6.495 1.00 15.96 C ATOM 1285 H LEU A 242 18.065 -7.057 -8.841 1.00 0.00 H ATOM 1286 N THR A 243 18.514 -3.627 -11.271 1.00 12.18 N ATOM 1287 CA THR A 243 19.592 -3.007 -12.032 1.00 13.68 C ATOM 1288 C THR A 243 19.920 -1.588 -11.571 1.00 17.79 C ATOM 1289 O THR A 243 21.089 -1.211 -11.443 1.00 18.21 O ATOM 1290 CB THR A 243 19.241 -2.974 -13.529 1.00 17.44 C ATOM 1291 OG1 THR A 243 19.070 -4.320 -13.994 1.00 20.06 O ATOM 1292 CG2 THR A 243 20.344 -2.294 -14.321 1.00 19.68 C ATOM 1293 HG1 THR A 243 18.844 -4.309 -14.958 1.00 0.00 H ATOM 1294 H THR A 243 17.529 -3.408 -11.522 1.00 0.00 H ATOM 1295 N SER A 244 18.884 -0.797 -11.316 1.00 14.49 N ATOM 1296 CA SER A 244 19.099 0.557 -10.842 1.00 16.06 C ATOM 1297 C SER A 244 17.851 1.105 -10.174 1.00 13.39 C ATOM 1298 O SER A 244 16.728 0.724 -10.487 1.00 12.44 O ATOM 1299 CB SER A 244 19.532 1.474 -11.985 1.00 16.28 C ATOM 1300 OG SER A 244 18.459 1.729 -12.860 1.00 16.44 O ATOM 1301 HG SER A 244 17.725 2.167 -12.361 1.00 0.00 H ATOM 1302 H SER A 244 17.916 -1.149 -11.457 1.00 0.00 H ATOM 1303 N ALA A 245 18.082 1.964 -9.186 1.00 13.57 N ATOM 1304 CA ALA A 245 17.018 2.650 -8.475 1.00 12.94 C ATOM 1305 C ALA A 245 17.503 4.072 -8.262 1.00 14.63 C ATOM 1306 O ALA A 245 18.541 4.294 -7.625 1.00 16.95 O ATOM 1307 CB ALA A 245 16.699 1.962 -7.135 1.00 15.92 C ATOM 1308 H ALA A 245 19.067 2.153 -8.911 1.00 0.00 H ATOM 1309 N SER A 246 16.789 5.038 -8.821 1.00 12.91 N ATOM 1310 CA SER A 246 17.242 6.421 -8.721 1.00 13.15 C ATOM 1311 C SER A 246 16.073 7.389 -8.767 1.00 15.23 C ATOM 1312 O SER A 246 14.929 6.991 -8.980 1.00 13.54 O ATOM 1313 CB SER A 246 18.231 6.736 -9.845 1.00 17.30 C ATOM 1314 OG SER A 246 17.584 6.739 -11.098 1.00 21.15 O ATOM 1315 HG SER A 246 17.185 5.848 -11.264 1.00 0.00 H ATOM 1316 H SER A 246 15.910 4.811 -9.329 1.00 0.00 H ATOM 1317 N TYR A 247 16.360 8.668 -8.556 1.00 13.62 N ATOM 1318 CA TYR A 247 15.318 9.678 -8.639 1.00 11.26 C ATOM 1319 C TYR A 247 15.878 10.966 -9.229 1.00 13.22 C ATOM 1320 O TYR A 247 17.090 11.211 -9.209 1.00 14.12 O ATOM 1321 CB TYR A 247 14.691 9.949 -7.256 1.00 12.76 C ATOM 1322 CG TYR A 247 15.694 10.210 -6.150 1.00 11.21 C ATOM 1323 CD1 TYR A 247 16.352 11.439 -6.052 1.00 14.29 C ATOM 1324 CD2 TYR A 247 15.988 9.234 -5.203 1.00 14.59 C ATOM 1325 CE1 TYR A 247 17.280 11.682 -5.044 1.00 14.71 C ATOM 1326 CE2 TYR A 247 16.916 9.472 -4.183 1.00 14.99 C ATOM 1327 CZ TYR A 247 17.555 10.703 -4.114 1.00 14.14 C ATOM 1328 OH TYR A 247 18.479 10.952 -3.114 1.00 17.80 O ATOM 1329 HH TYR A 247 19.222 10.301 -3.183 1.00 0.00 H ATOM 1330 H TYR A 247 17.336 8.949 -8.330 1.00 0.00 H ATOM 1331 N THR A 248 14.985 11.784 -9.763 1.00 13.08 N ATOM 1332 CA THR A 248 15.363 13.093 -10.267 1.00 14.78 C ATOM 1333 C THR A 248 14.137 13.997 -10.240 1.00 18.79 C ATOM 1334 O THR A 248 13.061 13.554 -9.863 1.00 15.15 O ATOM 1335 CB THR A 248 15.949 13.005 -11.685 1.00 17.90 C ATOM 1336 OG1 THR A 248 16.553 14.263 -12.024 1.00 21.25 O ATOM 1337 CG2 THR A 248 14.869 12.644 -12.701 1.00 16.47 C ATOM 1338 HG1 THR A 248 16.932 14.210 -12.937 1.00 0.00 H ATOM 1339 H THR A 248 13.991 11.483 -9.823 1.00 0.00 H ATOM 1340 N MET A 249 14.306 15.268 -10.594 1.00 14.53 N ATOM 1341 CA MET A 249 13.178 16.188 -10.702 1.00 16.00 C ATOM 1342 C MET A 249 12.927 16.513 -12.158 1.00 19.30 C ATOM 1343 O MET A 249 13.866 16.795 -12.895 1.00 22.82 O ATOM 1344 CB MET A 249 13.446 17.484 -9.934 1.00 22.06 C ATOM 1345 CG MET A 249 13.694 17.312 -8.460 1.00 24.66 C ATOM 1346 SD MET A 249 12.194 16.841 -7.577 1.00 24.24 S ATOM 1347 CE MET A 249 12.872 16.598 -5.940 1.00 23.84 C ATOM 1348 H MET A 249 15.265 15.615 -10.799 1.00 0.00 H ATOM 1349 N ILE A 250 11.669 16.480 -12.578 1.00 17.43 N ATOM 1350 CA ILE A 250 11.342 16.891 -13.939 1.00 19.65 C ATOM 1351 C ILE A 250 10.465 18.132 -13.932 1.00 29.42 C ATOM 1352 O ILE A 250 10.150 18.665 -12.869 1.00 27.74 O ATOM 1353 CB ILE A 250 10.632 15.785 -14.713 1.00 25.16 C ATOM 1354 CG1 ILE A 250 9.273 15.497 -14.083 1.00 20.77 C ATOM 1355 CG2 ILE A 250 11.507 14.535 -14.783 1.00 22.40 C ATOM 1356 CD1 ILE A 250 8.506 14.439 -14.797 1.00 30.85 C ATOM 1357 OXT ILE A 250 10.060 18.630 -14.984 1.00 31.70 O ATOM 1358 H ILE A 250 10.915 16.161 -11.936 1.00 0.00 H TER 1359 ILE A 250 HETATM 1360 O HOH 1 5.364 -18.612 -9.774 1.00 51.84 O HETATM 1361 O HOH 2 18.707 2.461 4.291 1.00 43.20 O HETATM 1362 O HOH 3 2.990 16.099 -13.569 1.00 28.89 O HETATM 1363 O HOH 4 6.172 -5.199 0.669 1.00 28.86 O HETATM 1364 O HOH 5 12.537 -20.746 -11.987 1.00 41.26 O HETATM 1365 O HOH 6 11.244 15.090 5.533 1.00 39.24 O HETATM 1366 O HOH 7 12.777 0.507 2.818 1.00 30.48 O HETATM 1367 O HOH 8 19.367 -7.915 -7.888 1.00 23.60 O HETATM 1368 O HOH 9 5.787 -16.024 -13.486 1.00 29.76 O HETATM 1369 O HOH 10 13.117 -13.987 -5.647 1.00 32.58 O HETATM 1370 O HOH 11 -5.744 11.345 -8.384 1.00 31.04 O HETATM 1371 O HOH 12 9.286 -3.503 -0.986 1.00 15.88 O HETATM 1372 O HOH 13 17.129 -13.841 -13.196 1.00 36.30 O HETATM 1373 O HOH 14 9.509 1.333 7.579 1.00 28.04 O HETATM 1374 O HOH 15 -7.372 -21.316 -11.942 1.00 33.30 O HETATM 1375 O HOH 16 -0.220 6.199 11.252 1.00 21.82 O HETATM 1376 O HOH 17 9.649 16.950 0.172 1.00 29.71 O HETATM 1377 O HOH 18 -1.465 -22.618 -9.576 1.00 27.33 O HETATM 1378 O HOH 19 16.817 9.054 -12.153 1.00 21.59 O HETATM 1379 O HOH 20 14.069 9.004 -12.158 1.00 17.94 O HETATM 1380 O HOH 21 -5.688 5.912 -2.972 1.00 14.71 O HETATM 1381 O HOH 22 -11.133 -14.575 -13.106 1.00 45.71 O HETATM 1382 O HOH 23 18.930 8.252 -1.787 1.00 24.95 O HETATM 1383 O HOH 24 17.140 4.122 -12.060 1.00 20.60 O HETATM 1384 O HOH 25 -4.841 6.279 -14.701 1.00 29.53 O HETATM 1385 O HOH 26 13.194 7.741 -16.076 1.00 28.80 O HETATM 1386 O HOH 27 8.230 3.566 -17.613 1.00 12.74 O HETATM 1387 O HOH 28 -4.351 -9.622 -16.043 1.00 31.33 O HETATM 1388 O HOH 29 -0.989 3.044 -21.348 1.00 31.76 O HETATM 1389 O HOH 30 -6.268 6.050 -6.505 1.00 18.28 O HETATM 1390 O HOH 31 -4.623 2.601 -8.152 1.00 21.48 O HETATM 1391 O HOH 32 0.904 4.899 15.318 1.00 22.23 O HETATM 1392 O HOH 33 2.738 2.203 11.832 1.00 16.74 O HETATM 1393 O HOH 34 5.118 -13.448 -17.192 1.00 29.33 O HETATM 1394 O HOH 35 0.907 18.189 11.344 1.00 32.41 O HETATM 1395 O HOH 36 -0.748 7.407 0.078 1.00 11.95 O HETATM 1396 O HOH 37 -10.053 -9.080 -1.638 1.00 53.52 O HETATM 1397 O HOH 38 1.089 7.652 7.404 1.00 19.56 O HETATM 1398 O HOH 39 -3.511 -8.308 4.764 1.00 31.11 O HETATM 1399 O HOH 40 10.210 7.028 6.128 1.00 23.14 O HETATM 1400 O HOH 41 6.356 17.529 -0.414 1.00 25.10 O HETATM 1401 O HOH 42 4.416 -8.940 -24.519 1.00 33.83 O HETATM 1402 O HOH 43 4.169 -6.453 12.538 1.00 39.62 O HETATM 1403 O HOH 44 -4.711 -13.005 -2.455 1.00 33.29 O HETATM 1404 O HOH 45 1.800 0.671 9.169 1.00 15.70 O HETATM 1405 O HOH 46 -0.641 18.424 -3.255 1.00 13.73 O HETATM 1406 O HOH 47 0.980 9.387 -0.518 1.00 9.98 O HETATM 1407 O HOH 48 -6.405 9.099 3.380 1.00 28.53 O HETATM 1408 O HOH 49 -6.887 -12.984 -8.767 1.00 31.41 O HETATM 1409 O HOH 50 15.351 9.649 3.882 1.00 16.08 O HETATM 1410 O HOH 51 3.938 14.561 11.480 1.00 22.30 O HETATM 1411 O HOH 52 1.322 -14.145 -7.145 1.00 22.37 O HETATM 1412 O HOH 53 -6.458 -18.741 -15.340 1.00 38.24 O HETATM 1413 O HOH 54 -3.670 -1.145 -8.721 1.00 31.39 O HETATM 1414 O HOH 55 8.290 -0.915 8.615 1.00 28.48 O HETATM 1415 O HOH 56 9.257 -12.980 -3.446 1.00 32.02 O HETATM 1416 O HOH 57 19.327 -1.477 0.710 1.00 23.75 O HETATM 1417 O HOH 58 -7.353 10.400 0.795 1.00 26.41 O HETATM 1418 O HOH 59 -3.986 -5.616 7.691 1.00 26.07 O HETATM 1419 O HOH 60 6.608 20.812 -6.774 1.00 33.15 O HETATM 1420 O HOH 61 -8.203 -1.518 -15.841 1.00 36.24 O HETATM 1421 O HOH 62 -4.699 -6.591 2.717 1.00 22.66 O HETATM 1422 O HOH 63 8.331 -5.930 -19.382 1.00 21.66 O HETATM 1423 O HOH 64 -9.846 -1.764 -7.384 1.00 25.49 O HETATM 1424 O HOH 65 20.143 6.416 -6.527 1.00 42.22 O HETATM 1425 O HOH 66 -8.655 -3.473 -13.699 1.00 31.90 O HETATM 1426 O HOH 67 -7.430 15.569 -6.716 1.00 46.40 O HETATM 1427 O HOH 68 -5.398 4.361 -12.347 1.00 24.24 O HETATM 1428 O HOH 69 -6.392 -9.557 -12.770 1.00 30.67 O HETATM 1429 O HOH 70 -5.172 1.304 10.920 1.00 37.54 O HETATM 1430 O HOH 71 6.187 -3.272 -22.491 1.00 34.11 O HETATM 1431 O HOH 72 -9.447 -4.573 -0.106 1.00 28.70 O HETATM 1432 O HOH 73 4.433 -4.884 4.876 1.00 48.30 O HETATM 1433 O HOH 74 -4.564 -12.520 -15.696 1.00 25.49 O HETATM 1434 O HOH 75 16.100 15.533 -14.653 1.00 34.65 O HETATM 1435 O HOH 76 1.921 -7.317 5.386 1.00 30.01 O HETATM 1436 O HOH 77 -8.548 2.317 2.915 1.00 21.21 O HETATM 1437 O HOH 78 5.969 -1.430 7.159 1.00 29.49 O HETATM 1438 O HOH 79 5.188 -0.402 -23.391 1.00 35.96 O HETATM 1439 O HOH 80 12.290 19.088 -16.920 1.00 40.41 O HETATM 1440 O HOH 81 4.218 16.234 -11.181 1.00 26.19 O HETATM 1441 O HOH 82 8.957 -7.418 -17.173 1.00 13.80 O HETATM 1442 O HOH 83 3.743 -17.309 -10.626 1.00 43.62 O HETATM 1443 O HOH 84 -3.717 8.647 6.160 1.00 29.87 O HETATM 1444 O HOH 85 -2.404 16.010 -9.169 1.00 26.56 O HETATM 1445 O HOH 86 7.540 -1.501 5.519 1.00 43.24 O HETATM 1446 O HOH 87 22.969 1.001 -10.502 1.00 43.51 O HETATM 1447 O HOH 88 15.844 -2.902 -17.086 1.00 18.23 O HETATM 1448 O HOH 89 -2.437 -6.827 -19.586 1.00 32.75 O HETATM 1449 O HOH 90 0.526 11.556 11.914 1.00 29.63 O HETATM 1450 O HOH 91 2.196 -0.163 -18.755 1.00 25.02 O HETATM 1451 O HOH 92 2.509 -17.870 -13.013 1.00 49.96 O HETATM 1452 O HOH 93 12.846 -9.772 -1.610 1.00 27.73 O HETATM 1453 O HOH 94 -10.606 -4.102 -3.031 1.00 36.02 O HETATM 1454 O HOH 95 -8.525 -8.878 -8.913 1.00 27.66 O HETATM 1455 O HOH 96 2.068 -10.491 -2.746 1.00 26.37 O HETATM 1456 O HOH 97 -4.688 1.821 5.663 1.00 22.10 O HETATM 1457 O HOH 98 21.100 2.572 -8.576 1.00 26.43 O HETATM 1458 O HOH 99 -5.775 3.176 3.642 1.00 18.00 O HETATM 1459 O HOH 100 6.799 23.897 -10.496 1.00 38.25 O HETATM 1460 O HOH 101 -0.801 11.757 6.532 1.00 23.32 O HETATM 1461 O HOH 102 4.017 -1.571 -21.107 1.00 30.51 O HETATM 1462 O HOH 103 -2.765 -17.907 -5.346 1.00 37.35 O HETATM 1463 O HOH 104 17.460 16.665 -10.099 1.00 30.51 O HETATM 1464 O HOH 105 -7.672 7.601 -1.824 1.00 30.72 O HETATM 1465 O HOH 106 0.711 8.783 12.057 1.00 40.84 O HETATM 1466 O HOH 107 8.712 -15.951 -4.200 1.00 38.19 O HETATM 1467 O HOH 108 -5.043 13.012 -13.392 1.00 38.07 O HETATM 1468 O HOH 109 -6.377 -5.359 7.784 1.00 45.70 O HETATM 1469 O HOH 110 -4.748 -19.808 -16.026 1.00 22.51 O HETATM 1470 O HOH 111 20.180 7.526 5.130 1.00 44.98 O HETATM 1471 O HOH 112 13.977 -11.388 -2.607 1.00 42.17 O HETATM 1472 O HOH 113 5.347 -4.553 2.774 1.00 43.01 O HETATM 1473 O HOH 114 -5.307 0.575 -9.548 1.00 34.75 O HETATM 1474 O HOH 115 -9.770 8.167 -3.559 1.00 49.44 O HETATM 1475 O HOH 116 4.548 22.790 -10.666 1.00 36.86 O HETATM 1476 O HOH 117 16.034 14.945 -7.151 1.00 21.41 O HETATM 1477 O HOH 118 3.445 18.411 -10.198 1.00 30.66 O HETATM 1478 O HOH 119 -1.234 9.114 7.332 1.00 26.51 O HETATM 1479 O HOH 120 -9.563 4.116 1.190 1.00 52.77 O HETATM 1480 O HOH 121 15.975 7.761 8.383 1.00 45.35 O HETATM 1481 O HOH 122 -14.122 -18.668 -14.731 1.00 51.08 O HETATM 1482 O HOH 123 20.184 8.957 3.323 1.00 30.16 O HETATM 1483 O HOH 124 15.267 14.509 -16.557 1.00 52.92 O HETATM 1484 O HOH 125 22.647 -13.280 -12.998 1.00 48.20 O HETATM 1485 O HOH 126 -6.577 5.843 4.275 1.00 32.72 O HETATM 1486 S1 TGZ A 127 -2.703 -10.271 0.781 1.00 -0.09 S HETATM 1487 C1 TGZ A 127 -1.735 -8.944 1.428 1.00 0.14 C HETATM 1488 C2 TGZ A 127 -0.234 -9.215 1.320 1.00 0.13 C HETATM 1489 C3 TGZ A 127 0.556 -7.950 1.642 1.00 0.15 C HETATM 1490 C4 TGZ A 127 0.042 -6.771 0.828 1.00 0.12 C HETATM 1491 C5 TGZ A 127 -1.452 -6.603 1.056 1.00 0.11 C HETATM 1492 C6 TGZ A 127 -2.009 -5.426 0.259 1.00 0.07 C HETATM 1493 O6 TGZ A 127 -3.406 -5.275 0.527 1.00 -0.39 O HETATM 1494 H11 TGZ A 127 -3.863 -6.069 0.276 1.00 0.21 H HETATM 1495 H4 TGZ A 127 -1.861 -5.610 -0.815 1.00 0.06 H HETATM 1496 H5 TGZ A 127 -1.480 -4.506 0.549 1.00 0.06 H HETATM 1497 O5 TGZ A 127 -2.117 -7.804 0.659 1.00 -0.36 O HETATM 1498 H3 TGZ A 127 -1.632 -6.424 2.126 1.00 0.06 H HETATM 1499 O4 TGZ A 127 0.317 -6.993 -0.566 1.00 -0.39 O HETATM 1500 H15 TGZ A 127 1.253 -7.096 -0.691 1.00 0.21 H HETATM 1501 H13 TGZ A 127 0.558 -5.856 1.153 1.00 0.07 H HETATM 1502 N7 TGZ A 127 2.008 -8.121 1.376 1.00 -0.16 N HETATM 1503 N8 TGZ A 127 2.820 -7.943 2.495 1.00 -0.09 N HETATM 1504 N9 TGZ A 127 4.130 -8.140 2.030 1.00 -0.22 N HETATM 1505 C10 TGZ A 127 4.076 -8.417 0.707 1.00 0.07 C HETATM 1506 C11 TGZ A 127 2.745 -8.400 0.290 1.00 0.09 C HETATM 1507 H22 TGZ A 127 2.376 -8.578 -0.719 1.00 0.11 H HETATM 1508 C12 TGZ A 127 5.275 -8.678 -0.140 1.00 -0.02 C HETATM 1509 C13 TGZ A 127 5.189 -8.572 -1.519 1.00 -0.03 C HETATM 1510 C14 TGZ A 127 6.315 -8.811 -2.299 1.00 0.13 C HETATM 1511 C15 TGZ A 127 7.524 -9.141 -1.711 1.00 -0.03 C HETATM 1512 C16 TGZ A 127 7.619 -9.235 -0.324 1.00 -0.07 C HETATM 1513 C17 TGZ A 127 6.492 -9.000 0.458 1.00 -0.06 C HETATM 1514 H26 TGZ A 127 6.561 -9.068 1.538 1.00 0.05 H HETATM 1515 H25 TGZ A 127 8.564 -9.489 0.142 1.00 0.06 H HETATM 1516 H24 TGZ A 127 8.395 -9.326 -2.329 1.00 0.06 H HETATM 1517 F18 TGZ A 127 6.241 -8.728 -3.638 1.00 -0.18 F HETATM 1518 H23 TGZ A 127 4.249 -8.304 -1.987 1.00 0.06 H HETATM 1519 H2 TGZ A 127 0.422 -7.726 2.711 1.00 0.07 H HETATM 1520 O2 TGZ A 127 0.145 -10.250 2.240 1.00 -0.38 O HETATM 1521 H20 TGZ A 127 1.078 -10.412 2.166 1.00 0.21 H HETATM 1522 H1 TGZ A 127 -0.000 -9.537 0.294 1.00 0.07 H HETATM 1523 H6 TGZ A 127 -1.985 -8.783 2.487 1.00 0.07 H HETATM 1524 C1' TGZ A 127 -4.373 -9.782 1.048 1.00 0.14 C HETATM 1525 O5' TGZ A 127 -4.862 -10.433 2.226 1.00 -0.36 O HETATM 1526 C5' TGZ A 127 -6.151 -9.932 2.584 1.00 0.11 C HETATM 1527 C6' TGZ A 127 -6.563 -10.513 3.930 1.00 0.07 C HETATM 1528 O6' TGZ A 127 -5.690 -9.996 4.942 1.00 -0.39 O HETATM 1529 H12 TGZ A 127 -4.795 -10.245 4.744 1.00 0.21 H HETATM 1530 H9 TGZ A 127 -6.485 -11.610 3.899 1.00 0.06 H HETATM 1531 H10 TGZ A 127 -7.601 -10.226 4.155 1.00 0.06 H HETATM 1532 C4' TGZ A 127 -7.153 -10.295 1.494 1.00 0.11 C HETATM 1533 O4' TGZ A 127 -7.213 -11.721 1.378 1.00 -0.39 O HETATM 1534 H16 TGZ A 127 -6.354 -12.056 1.150 1.00 0.21 H HETATM 1535 C3' TGZ A 127 -6.701 -9.675 0.175 1.00 0.11 C HETATM 1536 O3' TGZ A 127 -7.564 -10.025 -0.916 1.00 -0.39 O HETATM 1537 H18 TGZ A 127 -8.444 -9.718 -0.733 1.00 0.21 H HETATM 1538 C2' TGZ A 127 -5.277 -10.103 -0.141 1.00 0.12 C HETATM 1539 O2' TGZ A 127 -4.869 -9.351 -1.287 1.00 -0.39 O HETATM 1540 H21 TGZ A 127 -4.908 -8.423 -1.086 1.00 0.21 H HETATM 1541 H19 TGZ A 127 -5.238 -11.181 -0.357 1.00 0.07 H HETATM 1542 H17 TGZ A 127 -6.721 -8.581 0.289 1.00 0.06 H HETATM 1543 H14 TGZ A 127 -8.147 -9.906 1.759 1.00 0.06 H HETATM 1544 H8 TGZ A 127 -6.102 -8.836 2.671 1.00 0.06 H HETATM 1545 H7 TGZ A 127 -4.394 -8.694 1.209 1.00 0.07 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1486 1487 1524 CONECT 1487 1486 1488 1497 1523 CONECT 1488 1487 1489 1520 1522 CONECT 1489 1488 1490 1502 1519 CONECT 1490 1489 1491 1499 1501 CONECT 1491 1490 1492 1497 1498 CONECT 1492 1491 1493 1495 1496 CONECT 1493 1492 1494 CONECT 1494 1493 CONECT 1495 1492 CONECT 1496 1492 CONECT 1497 1487 1491 CONECT 1498 1491 CONECT 1499 1490 1500 CONECT 1500 1499 CONECT 1501 1490 CONECT 1502 1489 1503 1506 CONECT 1503 1502 1504 CONECT 1504 1503 1505 CONECT 1505 1504 1506 1508 CONECT 1506 1502 1505 1507 CONECT 1507 1506 CONECT 1508 1505 1509 1513 CONECT 1509 1508 1510 1518 CONECT 1510 1509 1511 1517 CONECT 1511 1510 1512 1516 CONECT 1512 1511 1513 1515 CONECT 1513 1508 1512 1514 CONECT 1514 1513 CONECT 1515 1512 CONECT 1516 1511 CONECT 1517 1510 CONECT 1518 1509 CONECT 1519 1489 CONECT 1520 1488 1521 CONECT 1521 1520 CONECT 1522 1488 CONECT 1523 1487 CONECT 1524 1486 1525 1538 1545 CONECT 1525 1524 1526 CONECT 1526 1525 1527 1532 1544 CONECT 1527 1526 1528 1530 1531 CONECT 1528 1527 1529 CONECT 1529 1528 CONECT 1530 1527 CONECT 1531 1527 CONECT 1532 1526 1533 1535 1543 CONECT 1533 1532 1534 CONECT 1534 1533 CONECT 1535 1532 1536 1538 1542 CONECT 1536 1535 1537 CONECT 1537 1536 CONECT 1538 1524 1535 1539 1541 CONECT 1539 1538 1540 CONECT 1540 1539 CONECT 1541 1538 CONECT 1542 1535 CONECT 1543 1532 CONECT 1544 1526 CONECT 1545 1524 MASTER 0 0 0 0 0 0 0 0 1544 1 63 11 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5h9r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5h9p
RCSB PDB
PDBbind
158aa, >5H9P_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5h9s
RCSB PDB
PDBbind
TGZ
Entry Information
PDB ID
5h9r
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Human Galectin-3 CRD
Ligand Name
TGZ
EC.Number
E.C.-.-.-.-
Resolution
1.58(Å)
Affinity (Kd/Ki/IC50)
Kd=0.84uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Sci Rep Vol. 6: pp. 29457-29457
Ligand Properties
Formula
C
2
0
H
2
6
FN
3
O
9
S
Molecular Weight
503.499
Exact Mass
503.137
No. of atoms
60
No. of bonds
63
Polar Surface Area
216.08
LOGP Value
-1.57 (
Computed with XLOGP3
)
-2.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 4
Canonical SMILES
OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@H]1O)n1nnc(c1)c1cccc(c1)F)O
InChI String
InChI=1S/C20H26FN3O9S/c21-9-3-1-2-8(4-9)10-5-24(23-22-10)13-14(27)11(6-25)32-19(16(13)29)34-20-18(31)17(30)15(28)12(7-26)33-20/h1-5,11-20,25-31H,6-7H2/t11-,12-,13+,14+,15+,16-,17+,18-,19+,20+/m1/s1
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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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娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
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