Browse entries in the PDBbind-CN Database
HEADER 5HZ9_COMPLEX COMPND 5HZ9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 135 SER HIS MET VAL ASP ALA PHE LEU GLY THR TRP LYS LEU SEQRES 2 A 135 VAL ASP SER LYS ASN PHE ASP ASP TYR MET LYS SER LEU SEQRES 3 A 135 GLY VAL GLY PHE ALA THR ARG GLN VAL ALA SER MET THR SEQRES 4 A 135 LYS PRO THR THR ILE ILE GLU LYS ASN GLY ASP ILE LEU SEQRES 5 A 135 THR LEU LYS THR HIS SER THR PHE LYS ASN THR GLU ILE SEQRES 6 A 135 SER PHE LYS LEU GLY VAL GLU PHE ASP GLU THR THR ALA SEQRES 7 A 135 ASP ASP ARG LYS VAL LYS SER ILE VAL THR LEU ASP GLY SEQRES 8 A 135 GLY LYS LEU VAL HIS LEU GLN LYS TRP ASP GLY GLN GLU SEQRES 9 A 135 THR THR LEU VAL ARG GLU LEU ILE ASP GLY LYS LEU ILE SEQRES 10 A 135 LEU THR LEU THR HIS GLY THR ALA VAL CYS THR ARG THR SEQRES 11 A 135 TYR GLU LYS GLU ALA HET UNN A 175 32 ATOM 1 N SER A -1 -29.197 39.566 -55.082 1.00131.91 N ATOM 2 CA SER A -1 -30.654 39.518 -55.098 1.00128.87 C ATOM 3 C SER A -1 -31.258 40.894 -55.363 1.00132.85 C ATOM 4 O SER A -1 -30.570 41.821 -55.796 1.00132.67 O ATOM 5 CB SER A -1 -31.194 38.954 -53.779 1.00118.51 C ATOM 6 OG SER A -1 -31.009 37.552 -53.704 1.00109.33 O ATOM 7 HG SER A -1 -31.367 37.219 -52.843 1.00 0.00 H ATOM 8 HN3 SER A -1 -28.881 40.214 -54.332 1.00 0.00 H ATOM 9 HN2 SER A -1 -28.852 39.905 -56.003 1.00 0.00 H ATOM 10 HN1 SER A -1 -28.822 38.613 -54.899 1.00 0.00 H ATOM 11 N HIS A 0 -32.555 41.009 -55.102 1.00134.60 N ATOM 12 CA HIS A 0 -33.259 42.274 -55.239 1.00133.62 C ATOM 13 C HIS A 0 -33.157 43.055 -53.934 1.00125.91 C ATOM 14 O HIS A 0 -33.351 44.272 -53.911 1.00123.95 O ATOM 15 CB HIS A 0 -34.723 42.024 -55.601 1.00140.83 C ATOM 16 CG HIS A 0 -34.906 41.162 -56.812 1.00146.79 C ATOM 17 ND1 HIS A 0 -34.786 41.648 -58.097 1.00148.60 N ATOM 18 CD2 HIS A 0 -35.201 39.845 -56.935 1.00148.10 C ATOM 19 CE1 HIS A 0 -35.002 40.669 -58.958 1.00149.26 C ATOM 20 NE2 HIS A 0 -35.255 39.565 -58.279 1.00149.41 N ATOM 21 H HIS A 0 -33.083 40.169 -54.790 1.00 0.00 H ATOM 22 N MET A 1 -32.852 42.341 -52.850 1.00119.30 N ATOM 23 CA MET A 1 -32.648 42.951 -51.536 1.00107.60 C ATOM 24 C MET A 1 -31.308 43.678 -51.492 1.00 88.14 C ATOM 25 O MET A 1 -31.170 44.732 -50.861 1.00 80.37 O ATOM 26 CB MET A 1 -32.691 41.889 -50.432 1.00110.81 C ATOM 27 CG MET A 1 -34.073 41.335 -50.124 1.00112.77 C ATOM 28 SD MET A 1 -35.222 42.602 -49.547 1.00118.07 S ATOM 29 CE MET A 1 -36.240 42.830 -51.014 1.00 84.77 C ATOM 30 H MET A 1 -32.755 41.310 -52.942 1.00 0.00 H ATOM 31 N VAL A 2 -30.323 43.099 -52.168 1.00 75.98 N ATOM 32 CA VAL A 2 -28.991 43.676 -52.232 1.00 70.64 C ATOM 33 C VAL A 2 -28.990 45.013 -52.973 1.00 73.78 C ATOM 34 O VAL A 2 -28.281 45.940 -52.593 1.00 76.63 O ATOM 35 CB VAL A 2 -27.999 42.701 -52.902 1.00 65.20 C ATOM 36 CG1 VAL A 2 -26.771 43.437 -53.404 1.00 64.36 C ATOM 37 CG2 VAL A 2 -27.609 41.604 -51.936 1.00 62.75 C ATOM 38 H VAL A 2 -30.510 42.206 -52.667 1.00 0.00 H ATOM 39 N ASP A 3 -29.795 45.117 -54.023 1.00 75.38 N ATOM 40 CA ASP A 3 -29.805 46.325 -54.840 1.00 80.21 C ATOM 41 C ASP A 3 -29.960 47.589 -54.005 1.00 77.57 C ATOM 42 O ASP A 3 -29.473 48.652 -54.383 1.00 80.57 O ATOM 43 CB ASP A 3 -30.892 46.256 -55.918 1.00 86.44 C ATOM 44 CG ASP A 3 -30.604 45.194 -56.970 1.00 95.38 C ATOM 45 OD1 ASP A 3 -29.414 44.886 -57.216 1.00 92.61 O ATOM 46 OD2 ASP A 3 -31.574 44.663 -57.552 1.00103.81 O ATOM 47 H ASP A 3 -30.427 44.327 -54.266 1.00 0.00 H ATOM 48 N ALA A 4 -30.624 47.469 -52.862 1.00 74.14 N ATOM 49 CA ALA A 4 -30.913 48.634 -52.026 1.00 77.69 C ATOM 50 C ALA A 4 -29.671 49.227 -51.338 1.00 74.29 C ATOM 51 O ALA A 4 -29.660 50.408 -50.966 1.00 66.78 O ATOM 52 CB ALA A 4 -31.984 48.291 -51.007 1.00 78.45 C ATOM 53 H ALA A 4 -30.945 46.529 -52.555 1.00 0.00 H ATOM 54 N PHE A 5 -28.637 48.398 -51.184 1.00 71.55 N ATOM 55 CA PHE A 5 -27.379 48.790 -50.545 1.00 61.21 C ATOM 56 C PHE A 5 -26.406 49.413 -51.529 1.00 58.43 C ATOM 57 O PHE A 5 -25.392 49.981 -51.121 1.00 64.42 O ATOM 58 CB PHE A 5 -26.687 47.574 -49.916 1.00 50.24 C ATOM 59 CG PHE A 5 -27.431 46.979 -48.766 1.00 50.16 C ATOM 60 CD1 PHE A 5 -28.412 46.024 -48.977 1.00 54.83 C ATOM 61 CD2 PHE A 5 -27.149 47.364 -47.472 1.00 47.89 C ATOM 62 CE1 PHE A 5 -29.103 45.467 -47.912 1.00 56.24 C ATOM 63 CE2 PHE A 5 -27.839 46.810 -46.402 1.00 50.71 C ATOM 64 CZ PHE A 5 -28.818 45.867 -46.620 1.00 52.12 C ATOM 65 H PHE A 5 -28.729 47.424 -51.536 1.00 0.00 H ATOM 66 N LEU A 6 -26.689 49.271 -52.819 1.00 50.92 N ATOM 67 CA LEU A 6 -25.762 49.733 -53.847 1.00 57.83 C ATOM 68 C LEU A 6 -25.606 51.258 -53.831 1.00 61.98 C ATOM 69 O LEU A 6 -26.589 51.986 -53.692 1.00 63.28 O ATOM 70 CB LEU A 6 -26.195 49.231 -55.228 1.00 56.74 C ATOM 71 CG LEU A 6 -26.247 47.700 -55.311 1.00 59.95 C ATOM 72 CD1 LEU A 6 -26.807 47.238 -56.642 1.00 58.43 C ATOM 73 CD2 LEU A 6 -24.862 47.116 -55.085 1.00 55.97 C ATOM 74 H LEU A 6 -27.585 48.824 -53.101 1.00 0.00 H ATOM 75 N GLY A 7 -24.365 51.727 -53.947 1.00 62.15 N ATOM 76 CA GLY A 7 -24.082 53.152 -53.982 1.00 60.72 C ATOM 77 C GLY A 7 -22.937 53.615 -53.092 1.00 64.58 C ATOM 78 O GLY A 7 -22.190 52.807 -52.532 1.00 61.19 O ATOM 79 H GLY A 7 -23.575 51.054 -54.015 1.00 0.00 H ATOM 80 N THR A 8 -22.806 54.935 -52.972 1.00 65.53 N ATOM 81 CA THR A 8 -21.782 55.561 -52.147 1.00 61.58 C ATOM 82 C THR A 8 -22.392 56.067 -50.842 1.00 64.99 C ATOM 83 O THR A 8 -23.404 56.772 -50.851 1.00 67.14 O ATOM 84 CB THR A 8 -21.157 56.760 -52.875 1.00 61.54 C ATOM 85 OG1 THR A 8 -20.510 56.309 -54.069 1.00 67.31 O ATOM 86 CG2 THR A 8 -20.148 57.437 -51.990 1.00 56.13 C ATOM 87 HG1 THR A 8 -20.108 57.083 -54.537 1.00 0.00 H ATOM 88 H THR A 8 -23.466 55.548 -53.492 1.00 0.00 H ATOM 89 N TRP A 9 -21.766 55.721 -49.722 1.00 63.01 N ATOM 90 CA TRP A 9 -22.316 56.047 -48.408 1.00 60.50 C ATOM 91 C TRP A 9 -21.319 56.812 -47.553 1.00 58.44 C ATOM 92 O TRP A 9 -20.154 56.437 -47.468 1.00 63.17 O ATOM 93 CB TRP A 9 -22.738 54.770 -47.682 1.00 55.84 C ATOM 94 CG TRP A 9 -23.788 53.992 -48.403 1.00 56.57 C ATOM 95 CD1 TRP A 9 -23.592 53.027 -49.346 1.00 54.02 C ATOM 96 CD2 TRP A 9 -25.208 54.113 -48.241 1.00 58.29 C ATOM 97 NE1 TRP A 9 -24.801 52.537 -49.781 1.00 52.39 N ATOM 98 CE2 TRP A 9 -25.809 53.182 -49.115 1.00 54.88 C ATOM 99 CE3 TRP A 9 -26.029 54.918 -47.442 1.00 55.26 C ATOM 100 CZ2 TRP A 9 -27.193 53.037 -49.218 1.00 54.23 C ATOM 101 CZ3 TRP A 9 -27.402 54.772 -47.539 1.00 56.76 C ATOM 102 CH2 TRP A 9 -27.972 53.839 -48.423 1.00 57.15 C ATOM 103 HE1 TRP A 9 -24.929 51.796 -50.500 1.00 0.00 H ATOM 104 H TRP A 9 -20.864 55.207 -49.782 1.00 0.00 H ATOM 105 N LYS A 10 -21.789 57.878 -46.914 1.00 52.83 N ATOM 106 CA LYS A 10 -20.935 58.720 -46.082 1.00 53.72 C ATOM 107 C LYS A 10 -21.332 58.649 -44.605 1.00 53.95 C ATOM 108 O LYS A 10 -22.512 58.770 -44.260 1.00 55.55 O ATOM 109 CB LYS A 10 -20.991 60.171 -46.569 1.00 58.81 C ATOM 110 CG LYS A 10 -20.146 61.127 -45.758 1.00 68.55 C ATOM 111 CD LYS A 10 -18.660 60.991 -46.077 1.00 78.65 C ATOM 112 CE LYS A 10 -17.862 62.155 -45.477 1.00 83.00 C ATOM 113 NZ LYS A 10 -16.692 62.565 -46.313 1.00 83.03 N ATOM 114 HZ1 LYS A 10 -16.042 61.760 -46.416 1.00 0.00 H ATOM 115 HZ2 LYS A 10 -17.026 62.865 -47.251 1.00 0.00 H ATOM 116 HZ3 LYS A 10 -16.197 63.355 -45.851 1.00 0.00 H ATOM 117 H LYS A 10 -22.796 58.120 -47.010 1.00 0.00 H ATOM 118 N LEU A 11 -20.346 58.464 -43.731 1.00 52.38 N ATOM 119 CA LEU A 11 -20.609 58.422 -42.295 1.00 52.48 C ATOM 120 C LEU A 11 -21.084 59.781 -41.783 1.00 54.93 C ATOM 121 O LEU A 11 -20.426 60.802 -42.009 1.00 56.85 O ATOM 122 CB LEU A 11 -19.365 57.994 -41.513 1.00 48.53 C ATOM 123 CG LEU A 11 -19.632 57.816 -40.020 1.00 50.02 C ATOM 124 CD1 LEU A 11 -20.477 56.563 -39.812 1.00 52.74 C ATOM 125 CD2 LEU A 11 -18.339 57.713 -39.231 1.00 51.22 C ATOM 126 H LEU A 11 -19.372 58.347 -44.076 1.00 0.00 H ATOM 127 N VAL A 12 -22.220 59.783 -41.086 1.00 46.69 N ATOM 128 CA VAL A 12 -22.744 60.993 -40.487 1.00 48.01 C ATOM 129 C VAL A 12 -22.942 60.836 -38.979 1.00 54.38 C ATOM 130 O VAL A 12 -23.296 61.801 -38.291 1.00 54.05 O ATOM 131 CB VAL A 12 -24.069 61.435 -41.139 1.00 51.85 C ATOM 132 CG1 VAL A 12 -23.840 61.802 -42.586 1.00 47.07 C ATOM 133 CG2 VAL A 12 -25.120 60.336 -41.006 1.00 55.85 C ATOM 134 H VAL A 12 -22.744 58.892 -40.969 1.00 0.00 H ATOM 135 N ASP A 13 -22.713 59.637 -38.451 1.00 50.86 N ATOM 136 CA ASP A 13 -22.800 59.472 -37.002 1.00 46.98 C ATOM 137 C ASP A 13 -22.196 58.165 -36.498 1.00 44.16 C ATOM 138 O ASP A 13 -22.083 57.204 -37.239 1.00 50.33 O ATOM 139 CB ASP A 13 -24.249 59.608 -36.528 1.00 53.59 C ATOM 140 CG ASP A 13 -24.348 59.823 -35.029 1.00 67.79 C ATOM 141 OD1 ASP A 13 -23.368 60.323 -34.427 1.00 67.04 O ATOM 142 OD2 ASP A 13 -25.405 59.487 -34.454 1.00 76.14 O ATOM 143 H ASP A 13 -22.475 58.829 -39.061 1.00 0.00 H ATOM 144 N SER A 14 -21.831 58.140 -35.223 1.00 38.05 N ATOM 145 CA SER A 14 -21.118 57.017 -34.654 1.00 41.12 C ATOM 146 C SER A 14 -21.351 56.910 -33.152 1.00 46.99 C ATOM 147 O SER A 14 -21.389 57.915 -32.438 1.00 51.51 O ATOM 148 CB SER A 14 -19.610 57.116 -34.932 1.00 33.10 C ATOM 149 OG SER A 14 -18.952 55.921 -34.497 1.00 36.66 O ATOM 150 HG SER A 14 -17.982 55.994 -34.680 1.00 0.00 H ATOM 151 H SER A 14 -22.064 58.951 -34.615 1.00 0.00 H ATOM 152 N LYS A 15 -21.506 55.675 -32.687 1.00 45.52 N ATOM 153 CA LYS A 15 -21.654 55.386 -31.272 1.00 45.34 C ATOM 154 C LYS A 15 -20.799 54.182 -30.903 1.00 47.35 C ATOM 155 O LYS A 15 -20.914 53.116 -31.524 1.00 49.12 O ATOM 156 CB LYS A 15 -23.116 55.098 -30.950 1.00 49.53 C ATOM 157 CG LYS A 15 -23.334 54.674 -29.509 1.00 64.29 C ATOM 158 CD LYS A 15 -24.750 54.170 -29.293 1.00 73.95 C ATOM 159 CE LYS A 15 -25.009 53.899 -27.824 1.00 81.32 C ATOM 160 NZ LYS A 15 -26.249 53.099 -27.645 1.00 85.41 N ATOM 161 HZ1 LYS A 15 -27.057 53.622 -28.037 1.00 0.00 H ATOM 162 HZ2 LYS A 15 -26.149 52.191 -28.141 1.00 0.00 H ATOM 163 HZ3 LYS A 15 -26.405 52.926 -26.631 1.00 0.00 H ATOM 164 H LYS A 15 -21.522 54.885 -33.363 1.00 0.00 H ATOM 165 N ASN A 16 -19.924 54.353 -29.918 1.00 44.49 N ATOM 166 CA ASN A 16 -19.158 53.224 -29.360 1.00 44.34 C ATOM 167 C ASN A 16 -18.106 52.585 -30.250 1.00 45.85 C ATOM 168 O ASN A 16 -17.614 51.493 -29.942 1.00 49.69 O ATOM 169 CB ASN A 16 -20.101 52.135 -28.876 1.00 46.44 C ATOM 170 CG ASN A 16 -20.459 52.302 -27.445 1.00 59.72 C ATOM 171 OD1 ASN A 16 -21.147 53.257 -27.068 1.00 63.95 O ATOM 172 ND2 ASN A 16 -19.980 51.387 -26.613 1.00 70.60 N ATOM 173 HD22 ASN A 16 -19.405 50.601 -26.979 1.00 0.00 H ATOM 174 HD21 ASN A 16 -20.179 51.455 -25.594 1.00 0.00 H ATOM 175 H ASN A 16 -19.776 55.307 -29.531 1.00 0.00 H ATOM 176 N PHE A 17 -17.764 53.257 -31.346 1.00 40.70 N ATOM 177 CA PHE A 17 -16.754 52.749 -32.262 1.00 41.64 C ATOM 178 C PHE A 17 -15.390 52.612 -31.569 1.00 45.35 C ATOM 179 O PHE A 17 -14.709 51.593 -31.713 1.00 42.56 O ATOM 180 CB PHE A 17 -16.663 53.629 -33.504 1.00 48.16 C ATOM 181 CG PHE A 17 -15.676 53.140 -34.508 1.00 53.76 C ATOM 182 CD1 PHE A 17 -15.792 51.865 -35.043 1.00 53.10 C ATOM 183 CD2 PHE A 17 -14.628 53.950 -34.923 1.00 51.04 C ATOM 184 CE1 PHE A 17 -14.874 51.403 -35.978 1.00 55.37 C ATOM 185 CE2 PHE A 17 -13.698 53.495 -35.862 1.00 53.38 C ATOM 186 CZ PHE A 17 -13.824 52.218 -36.391 1.00 55.83 C ATOM 187 H PHE A 17 -18.228 54.164 -31.552 1.00 0.00 H ATOM 188 N ASP A 18 -15.004 53.626 -30.800 1.00 43.87 N ATOM 189 CA ASP A 18 -13.739 53.562 -30.081 1.00 44.07 C ATOM 190 C ASP A 18 -13.709 52.335 -29.159 1.00 45.70 C ATOM 191 O ASP A 18 -12.702 51.628 -29.071 1.00 43.08 O ATOM 192 CB ASP A 18 -13.507 54.843 -29.279 1.00 43.32 C ATOM 193 CG ASP A 18 -12.025 55.117 -29.027 1.00 51.28 C ATOM 194 OD1 ASP A 18 -11.505 56.126 -29.572 1.00 57.65 O ATOM 195 OD2 ASP A 18 -11.376 54.329 -28.293 1.00 40.61 O ATOM 196 H ASP A 18 -15.608 54.468 -30.712 1.00 0.00 H ATOM 197 N ASP A 19 -14.820 52.083 -28.473 1.00 48.67 N ATOM 198 CA ASP A 19 -14.932 50.926 -27.590 1.00 46.17 C ATOM 199 C ASP A 19 -14.821 49.602 -28.355 1.00 41.24 C ATOM 200 O ASP A 19 -14.175 48.650 -27.891 1.00 37.24 O ATOM 201 CB ASP A 19 -16.249 50.973 -26.819 1.00 49.22 C ATOM 202 CG ASP A 19 -16.110 51.647 -25.475 1.00 57.63 C ATOM 203 OD1 ASP A 19 -14.968 51.975 -25.086 1.00 56.92 O ATOM 204 OD2 ASP A 19 -17.143 51.829 -24.795 1.00 68.52 O ATOM 205 H ASP A 19 -15.631 52.727 -28.568 1.00 0.00 H ATOM 206 N TYR A 20 -15.456 49.553 -29.524 1.00 40.88 N ATOM 207 CA TYR A 20 -15.403 48.376 -30.389 1.00 42.53 C ATOM 208 C TYR A 20 -13.959 48.066 -30.767 1.00 42.61 C ATOM 209 O TYR A 20 -13.474 46.962 -30.536 1.00 45.36 O ATOM 210 CB TYR A 20 -16.258 48.587 -31.647 1.00 41.52 C ATOM 211 CG TYR A 20 -16.114 47.476 -32.663 1.00 45.00 C ATOM 212 CD1 TYR A 20 -16.646 46.213 -32.421 1.00 48.37 C ATOM 213 CD2 TYR A 20 -15.437 47.682 -33.858 1.00 39.99 C ATOM 214 CE1 TYR A 20 -16.511 45.190 -33.342 1.00 45.76 C ATOM 215 CE2 TYR A 20 -15.304 46.665 -34.790 1.00 41.67 C ATOM 216 CZ TYR A 20 -15.839 45.419 -34.523 1.00 47.04 C ATOM 217 OH TYR A 20 -15.703 44.401 -35.443 1.00 49.38 O ATOM 218 HH TYR A 20 -16.141 43.584 -35.096 1.00 0.00 H ATOM 219 H TYR A 20 -16.008 50.379 -29.832 1.00 0.00 H ATOM 220 N MET A 21 -13.265 49.056 -31.322 1.00 46.59 N ATOM 221 CA MET A 21 -11.862 48.881 -31.697 1.00 47.96 C ATOM 222 C MET A 21 -11.027 48.428 -30.518 1.00 44.76 C ATOM 223 O MET A 21 -10.192 47.548 -30.658 1.00 40.29 O ATOM 224 CB MET A 21 -11.277 50.173 -32.250 1.00 47.75 C ATOM 225 CG MET A 21 -11.838 50.554 -33.580 1.00 49.32 C ATOM 226 SD MET A 21 -10.925 51.902 -34.300 1.00 49.46 S ATOM 227 CE MET A 21 -11.420 53.270 -33.247 1.00 40.52 C ATOM 228 H MET A 21 -13.729 49.971 -31.492 1.00 0.00 H ATOM 229 N LYS A 22 -11.248 49.045 -29.360 1.00 41.52 N ATOM 230 CA LYS A 22 -10.550 48.644 -28.149 1.00 45.44 C ATOM 231 C LYS A 22 -10.774 47.147 -27.885 1.00 44.71 C ATOM 232 O LYS A 22 -9.827 46.402 -27.595 1.00 39.77 O ATOM 233 CB LYS A 22 -11.018 49.483 -26.967 1.00 46.50 C ATOM 234 CG LYS A 22 -10.122 49.377 -25.761 1.00 56.15 C ATOM 235 CD LYS A 22 -10.228 50.599 -24.857 1.00 61.48 C ATOM 236 CE LYS A 22 -11.385 50.488 -23.878 1.00 70.43 C ATOM 237 NZ LYS A 22 -11.455 51.686 -22.996 1.00 76.80 N ATOM 238 HZ1 LYS A 22 -10.569 51.771 -22.458 1.00 0.00 H ATOM 239 HZ2 LYS A 22 -11.591 52.537 -23.579 1.00 0.00 H ATOM 240 HZ3 LYS A 22 -12.254 51.584 -22.338 1.00 0.00 H ATOM 241 H LYS A 22 -11.932 49.828 -29.320 1.00 0.00 H ATOM 242 N SER A 23 -12.027 46.712 -28.017 1.00 41.80 N ATOM 243 CA SER A 23 -12.394 45.315 -27.787 1.00 39.30 C ATOM 244 C SER A 23 -11.597 44.381 -28.696 1.00 39.36 C ATOM 245 O SER A 23 -11.152 43.305 -28.267 1.00 37.10 O ATOM 246 CB SER A 23 -13.892 45.111 -28.026 1.00 38.31 C ATOM 247 OG SER A 23 -14.344 43.971 -27.328 1.00 48.68 O ATOM 248 HG SER A 23 -14.183 44.093 -26.359 1.00 0.00 H ATOM 249 H SER A 23 -12.768 47.388 -28.293 1.00 0.00 H ATOM 250 N LEU A 24 -11.411 44.804 -29.946 1.00 37.13 N ATOM 251 CA LEU A 24 -10.619 44.034 -30.906 1.00 39.56 C ATOM 252 C LEU A 24 -9.127 44.081 -30.592 1.00 48.56 C ATOM 253 O LEU A 24 -8.355 43.276 -31.119 1.00 58.38 O ATOM 254 CB LEU A 24 -10.850 44.539 -32.330 1.00 35.46 C ATOM 255 CG LEU A 24 -12.285 44.468 -32.853 1.00 40.81 C ATOM 256 CD1 LEU A 24 -12.328 45.061 -34.260 1.00 41.00 C ATOM 257 CD2 LEU A 24 -12.787 43.026 -32.847 1.00 37.38 C ATOM 258 H LEU A 24 -11.839 45.703 -30.247 1.00 0.00 H ATOM 259 N GLY A 25 -8.721 45.029 -29.749 1.00 48.08 N ATOM 260 CA GLY A 25 -7.326 45.170 -29.369 1.00 55.05 C ATOM 261 C GLY A 25 -6.561 46.289 -30.058 1.00 56.71 C ATOM 262 O GLY A 25 -5.350 46.390 -29.906 1.00 60.74 O ATOM 263 H GLY A 25 -9.422 45.686 -29.352 1.00 0.00 H ATOM 264 N VAL A 26 -7.254 47.132 -30.819 1.00 55.93 N ATOM 265 CA VAL A 26 -6.618 48.300 -31.435 1.00 48.80 C ATOM 266 C VAL A 26 -6.157 49.318 -30.382 1.00 50.40 C ATOM 267 O VAL A 26 -6.968 49.837 -29.615 1.00 53.01 O ATOM 268 CB VAL A 26 -7.585 49.013 -32.387 1.00 45.33 C ATOM 269 CG1 VAL A 26 -6.873 50.171 -33.084 1.00 50.52 C ATOM 270 CG2 VAL A 26 -8.201 48.019 -33.391 1.00 35.31 C ATOM 271 H VAL A 26 -8.267 46.959 -30.980 1.00 0.00 H ATOM 272 N GLY A 27 -4.859 49.612 -30.350 1.00 50.15 N ATOM 273 CA GLY A 27 -4.310 50.530 -29.359 1.00 51.38 C ATOM 274 C GLY A 27 -4.810 51.969 -29.443 1.00 54.00 C ATOM 275 O GLY A 27 -5.162 52.459 -30.525 1.00 48.61 O ATOM 276 H GLY A 27 -4.222 49.177 -31.048 1.00 0.00 H ATOM 277 N PHE A 28 -4.838 52.648 -28.295 1.00 55.77 N ATOM 278 CA PHE A 28 -5.321 54.032 -28.200 1.00 59.07 C ATOM 279 C PHE A 28 -4.879 54.940 -29.347 1.00 59.68 C ATOM 280 O PHE A 28 -5.679 55.710 -29.887 1.00 60.46 O ATOM 281 CB PHE A 28 -4.893 54.667 -26.872 1.00 59.38 C ATOM 282 CG PHE A 28 -5.260 56.114 -26.747 1.00 58.35 C ATOM 283 CD1 PHE A 28 -6.570 56.495 -26.479 1.00 59.39 C ATOM 284 CD2 PHE A 28 -4.302 57.101 -26.901 1.00 59.75 C ATOM 285 CE1 PHE A 28 -6.918 57.842 -26.362 1.00 51.49 C ATOM 286 CE2 PHE A 28 -4.645 58.452 -26.786 1.00 59.08 C ATOM 287 CZ PHE A 28 -5.951 58.818 -26.514 1.00 53.69 C ATOM 288 H PHE A 28 -4.503 52.177 -27.430 1.00 0.00 H ATOM 289 N ALA A 29 -3.605 54.862 -29.710 1.00 59.06 N ATOM 290 CA ALA A 29 -3.069 55.758 -30.728 1.00 64.08 C ATOM 291 C ALA A 29 -3.799 55.614 -32.070 1.00 59.30 C ATOM 292 O ALA A 29 -4.178 56.613 -32.696 1.00 59.66 O ATOM 293 CB ALA A 29 -1.573 55.540 -30.894 1.00 66.69 C ATOM 294 H ALA A 29 -2.984 54.156 -29.265 1.00 0.00 H ATOM 295 N THR A 30 -3.996 54.373 -32.507 1.00 49.15 N ATOM 296 CA THR A 30 -4.705 54.121 -33.760 1.00 52.42 C ATOM 297 C THR A 30 -6.198 54.426 -33.637 1.00 52.36 C ATOM 298 O THR A 30 -6.816 54.927 -34.580 1.00 53.14 O ATOM 299 CB THR A 30 -4.510 52.670 -34.235 1.00 50.72 C ATOM 300 OG1 THR A 30 -3.113 52.428 -34.435 1.00 55.68 O ATOM 301 CG2 THR A 30 -5.267 52.417 -35.538 1.00 43.53 C ATOM 302 HG1 THR A 30 -2.981 51.496 -34.741 1.00 0.00 H ATOM 303 H THR A 30 -3.640 53.571 -31.949 1.00 0.00 H ATOM 304 N ARG A 31 -6.780 54.117 -32.477 1.00 49.32 N ATOM 305 CA ARG A 31 -8.191 54.419 -32.251 1.00 53.87 C ATOM 306 C ARG A 31 -8.449 55.924 -32.445 1.00 54.66 C ATOM 307 O ARG A 31 -9.338 56.317 -33.210 1.00 45.48 O ATOM 308 CB ARG A 31 -8.649 53.947 -30.868 1.00 50.87 C ATOM 309 CG ARG A 31 -8.514 52.449 -30.648 1.00 52.82 C ATOM 310 CD ARG A 31 -9.360 51.975 -29.467 1.00 47.33 C ATOM 311 NE ARG A 31 -9.179 52.810 -28.284 1.00 54.73 N ATOM 312 CZ ARG A 31 -8.370 52.521 -27.265 1.00 52.20 C ATOM 313 NH1 ARG A 31 -7.650 51.403 -27.272 1.00 40.06 N ATOM 314 NH2 ARG A 31 -8.291 53.355 -26.230 1.00 46.32 N ATOM 315 HE ARG A 31 -9.721 53.696 -28.232 1.00 0.00 H ATOM 316 HH12 ARG A 31 -7.021 51.185 -26.473 1.00 0.00 H ATOM 317 HH11 ARG A 31 -7.716 50.747 -28.076 1.00 0.00 H ATOM 318 HH22 ARG A 31 -7.662 53.135 -25.432 1.00 0.00 H ATOM 319 HH21 ARG A 31 -8.859 54.226 -26.220 1.00 0.00 H ATOM 320 H ARG A 31 -6.224 53.657 -31.728 1.00 0.00 H ATOM 321 N GLN A 32 -7.658 56.763 -31.774 1.00 53.41 N ATOM 322 CA GLN A 32 -7.789 58.217 -31.929 1.00 55.43 C ATOM 323 C GLN A 32 -7.844 58.634 -33.397 1.00 56.88 C ATOM 324 O GLN A 32 -8.708 59.412 -33.793 1.00 61.77 O ATOM 325 CB GLN A 32 -6.662 58.951 -31.205 1.00 54.41 C ATOM 326 CG GLN A 32 -6.767 58.878 -29.688 1.00 61.36 C ATOM 327 CD GLN A 32 -7.973 59.638 -29.130 1.00 65.59 C ATOM 328 OE1 GLN A 32 -9.118 59.156 -29.178 1.00 64.06 O ATOM 329 NE2 GLN A 32 -7.718 60.833 -28.593 1.00 60.51 N ATOM 330 HE22 GLN A 32 -6.744 61.198 -28.574 1.00 0.00 H ATOM 331 HE21 GLN A 32 -8.493 61.400 -28.193 1.00 0.00 H ATOM 332 H GLN A 32 -6.936 56.381 -31.130 1.00 0.00 H ATOM 333 N VAL A 33 -6.940 58.093 -34.207 1.00 52.91 N ATOM 334 CA VAL A 33 -6.949 58.375 -35.637 1.00 49.48 C ATOM 335 C VAL A 33 -8.197 57.836 -36.362 1.00 50.01 C ATOM 336 O VAL A 33 -8.821 58.549 -37.156 1.00 49.59 O ATOM 337 CB VAL A 33 -5.659 57.858 -36.315 1.00 46.76 C ATOM 338 CG1 VAL A 33 -5.762 57.955 -37.844 1.00 46.17 C ATOM 339 CG2 VAL A 33 -4.468 58.645 -35.805 1.00 46.21 C ATOM 340 H VAL A 33 -6.215 57.459 -33.815 1.00 0.00 H ATOM 341 N ALA A 34 -8.566 56.584 -36.100 1.00 42.60 N ATOM 342 CA ALA A 34 -9.665 55.988 -36.844 1.00 41.94 C ATOM 343 C ALA A 34 -10.992 56.612 -36.413 1.00 49.50 C ATOM 344 O ALA A 34 -11.868 56.841 -37.248 1.00 48.02 O ATOM 345 CB ALA A 34 -9.684 54.484 -36.676 1.00 45.04 C ATOM 346 H ALA A 34 -8.072 56.035 -35.368 1.00 0.00 H ATOM 347 N SER A 35 -11.123 56.894 -35.117 1.00 51.98 N ATOM 348 CA SER A 35 -12.290 57.589 -34.580 1.00 58.46 C ATOM 349 C SER A 35 -12.489 58.911 -35.282 1.00 58.13 C ATOM 350 O SER A 35 -13.595 59.258 -35.669 1.00 59.22 O ATOM 351 CB SER A 35 -12.108 57.899 -33.098 1.00 70.06 C ATOM 352 OG SER A 35 -12.075 56.720 -32.323 1.00 81.68 O ATOM 353 HG SER A 35 -11.956 56.957 -31.369 1.00 0.00 H ATOM 354 H SER A 35 -10.366 56.608 -34.464 1.00 0.00 H ATOM 355 N MET A 36 -11.411 59.661 -35.433 1.00 58.19 N ATOM 356 CA MET A 36 -11.519 60.992 -36.013 1.00 61.14 C ATOM 357 C MET A 36 -12.060 61.009 -37.450 1.00 60.12 C ATOM 358 O MET A 36 -12.778 61.930 -37.824 1.00 57.51 O ATOM 359 CB MET A 36 -10.183 61.732 -35.924 1.00 70.83 C ATOM 360 CG MET A 36 -9.893 62.309 -34.531 1.00 78.95 C ATOM 361 SD MET A 36 -8.367 63.258 -34.486 1.00125.70 S ATOM 362 CE MET A 36 -8.384 63.976 -36.134 1.00 61.65 C ATOM 363 H MET A 36 -10.482 59.299 -35.136 1.00 0.00 H ATOM 364 N THR A 37 -11.741 59.994 -38.251 1.00 57.05 N ATOM 365 CA THR A 37 -12.131 60.030 -39.661 1.00 55.75 C ATOM 366 C THR A 37 -13.641 59.905 -39.879 1.00 56.82 C ATOM 367 O THR A 37 -14.390 59.515 -38.984 1.00 59.47 O ATOM 368 CB THR A 37 -11.383 58.981 -40.515 1.00 53.16 C ATOM 369 OG1 THR A 37 -11.754 57.658 -40.111 1.00 46.24 O ATOM 370 CG2 THR A 37 -9.882 59.160 -40.374 1.00 51.03 C ATOM 371 HG1 THR A 37 -11.520 57.527 -39.158 1.00 0.00 H ATOM 372 H THR A 37 -11.216 59.178 -37.876 1.00 0.00 H ATOM 373 N LYS A 38 -14.079 60.285 -41.069 1.00 59.70 N ATOM 374 CA LYS A 38 -15.476 60.161 -41.451 1.00 70.54 C ATOM 375 C LYS A 38 -15.511 59.513 -42.824 1.00 71.66 C ATOM 376 O LYS A 38 -15.682 60.186 -43.843 1.00 79.61 O ATOM 377 CB LYS A 38 -16.180 61.523 -41.431 1.00 75.12 C ATOM 378 CG LYS A 38 -16.549 61.973 -40.016 1.00 82.27 C ATOM 379 CD LYS A 38 -17.224 63.332 -39.998 1.00 90.65 C ATOM 380 CE LYS A 38 -16.262 64.434 -40.431 1.00 97.14 C ATOM 381 NZ LYS A 38 -16.916 65.775 -40.481 1.00 98.89 N ATOM 382 HZ1 LYS A 38 -17.703 65.750 -41.160 1.00 0.00 H ATOM 383 HZ2 LYS A 38 -17.279 66.018 -39.537 1.00 0.00 H ATOM 384 HZ3 LYS A 38 -16.220 66.488 -40.780 1.00 0.00 H ATOM 385 H LYS A 38 -13.403 60.684 -41.751 1.00 0.00 H ATOM 386 N PRO A 39 -15.335 58.187 -42.844 1.00 63.10 N ATOM 387 CA PRO A 39 -15.040 57.428 -44.061 1.00 61.19 C ATOM 388 C PRO A 39 -16.226 57.308 -45.000 1.00 59.17 C ATOM 389 O PRO A 39 -17.374 57.552 -44.628 1.00 65.38 O ATOM 390 CB PRO A 39 -14.636 56.055 -43.529 1.00 59.46 C ATOM 391 CG PRO A 39 -15.363 55.936 -42.231 1.00 63.21 C ATOM 392 CD PRO A 39 -15.483 57.321 -41.661 1.00 59.94 C ATOM 393 N THR A 40 -15.918 56.955 -46.238 1.00 56.54 N ATOM 394 CA THR A 40 -16.919 56.715 -47.254 1.00 53.22 C ATOM 395 C THR A 40 -16.847 55.248 -47.655 1.00 61.47 C ATOM 396 O THR A 40 -15.758 54.701 -47.851 1.00 60.73 O ATOM 397 CB THR A 40 -16.681 57.595 -48.485 1.00 54.31 C ATOM 398 OG1 THR A 40 -16.810 58.980 -48.114 1.00 60.10 O ATOM 399 CG2 THR A 40 -17.689 57.265 -49.566 1.00 54.02 C ATOM 400 HG1 THR A 40 -16.656 59.549 -48.909 1.00 0.00 H ATOM 401 H THR A 40 -14.915 56.846 -46.490 1.00 0.00 H ATOM 402 N THR A 41 -18.006 54.604 -47.748 1.00 61.46 N ATOM 403 CA THR A 41 -18.063 53.223 -48.194 1.00 57.22 C ATOM 404 C THR A 41 -18.844 53.108 -49.492 1.00 54.94 C ATOM 405 O THR A 41 -19.991 53.536 -49.581 1.00 53.74 O ATOM 406 CB THR A 41 -18.699 52.284 -47.145 1.00 61.13 C ATOM 407 OG1 THR A 41 -17.802 52.098 -46.041 1.00 65.79 O ATOM 408 CG2 THR A 41 -18.984 50.933 -47.777 1.00 57.68 C ATOM 409 HG1 THR A 41 -16.958 51.697 -46.367 1.00 0.00 H ATOM 410 H THR A 41 -18.887 55.097 -47.497 1.00 0.00 H ATOM 411 N ILE A 42 -18.199 52.529 -50.496 1.00 58.74 N ATOM 412 CA ILE A 42 -18.807 52.284 -51.787 1.00 52.27 C ATOM 413 C ILE A 42 -19.228 50.820 -51.871 1.00 58.48 C ATOM 414 O ILE A 42 -18.406 49.920 -51.679 1.00 59.07 O ATOM 415 CB ILE A 42 -17.800 52.560 -52.892 1.00 56.45 C ATOM 416 CG1 ILE A 42 -17.393 54.035 -52.865 1.00 59.67 C ATOM 417 CG2 ILE A 42 -18.376 52.168 -54.242 1.00 58.70 C ATOM 418 CD1 ILE A 42 -16.185 54.348 -53.715 1.00 65.32 C ATOM 419 H ILE A 42 -17.211 52.238 -50.349 1.00 0.00 H ATOM 420 N ILE A 43 -20.509 50.580 -52.132 1.00 56.95 N ATOM 421 CA ILE A 43 -20.989 49.217 -52.322 1.00 59.91 C ATOM 422 C ILE A 43 -21.397 48.994 -53.776 1.00 64.58 C ATOM 423 O ILE A 43 -22.297 49.665 -54.285 1.00 66.95 O ATOM 424 CB ILE A 43 -22.181 48.889 -51.403 1.00 49.60 C ATOM 425 CG1 ILE A 43 -21.829 49.167 -49.943 1.00 41.99 C ATOM 426 CG2 ILE A 43 -22.605 47.438 -51.587 1.00 40.16 C ATOM 427 CD1 ILE A 43 -23.003 48.986 -49.012 1.00 44.19 C ATOM 428 H ILE A 43 -21.177 51.374 -52.201 1.00 0.00 H ATOM 429 N GLU A 44 -20.732 48.061 -54.449 1.00 63.29 N ATOM 430 CA GLU A 44 -21.085 47.767 -55.832 1.00 68.78 C ATOM 431 C GLU A 44 -21.292 46.277 -56.120 1.00 69.74 C ATOM 432 O GLU A 44 -20.825 45.404 -55.384 1.00 65.10 O ATOM 433 CB GLU A 44 -20.092 48.408 -56.812 1.00 74.29 C ATOM 434 CG GLU A 44 -18.628 48.183 -56.484 1.00 80.74 C ATOM 435 CD GLU A 44 -17.710 49.194 -57.165 1.00 82.92 C ATOM 436 OE1 GLU A 44 -18.016 50.407 -57.114 1.00 78.81 O ATOM 437 OE2 GLU A 44 -16.685 48.772 -57.751 1.00 84.10 O ATOM 438 H GLU A 44 -19.959 47.540 -53.988 1.00 0.00 H ATOM 439 N LYS A 45 -22.018 46.013 -57.199 1.00 68.97 N ATOM 440 CA LYS A 45 -22.365 44.666 -57.615 1.00 71.10 C ATOM 441 C LYS A 45 -21.862 44.474 -59.042 1.00 75.29 C ATOM 442 O LYS A 45 -21.891 45.411 -59.846 1.00 77.96 O ATOM 443 CB LYS A 45 -23.884 44.500 -57.563 1.00 72.14 C ATOM 444 CG LYS A 45 -24.394 43.101 -57.818 1.00 79.20 C ATOM 445 CD LYS A 45 -25.920 43.078 -57.811 1.00 85.42 C ATOM 446 CE LYS A 45 -26.455 41.659 -57.909 1.00 88.09 C ATOM 447 NZ LYS A 45 -25.911 40.798 -56.815 1.00 88.31 N ATOM 448 HZ1 LYS A 45 -24.874 40.767 -56.883 1.00 0.00 H ATOM 449 HZ2 LYS A 45 -26.187 41.194 -55.894 1.00 0.00 H ATOM 450 HZ3 LYS A 45 -26.295 39.836 -56.909 1.00 0.00 H ATOM 451 H LYS A 45 -22.355 46.810 -57.775 1.00 0.00 H ATOM 452 N ASN A 46 -21.372 43.277 -59.345 1.00 72.35 N ATOM 453 CA ASN A 46 -20.984 42.918 -60.707 1.00 77.45 C ATOM 454 C ASN A 46 -21.391 41.479 -60.962 1.00 78.33 C ATOM 455 O ASN A 46 -20.591 40.551 -60.820 1.00 80.89 O ATOM 456 CB ASN A 46 -19.481 43.114 -60.942 1.00 87.17 C ATOM 457 CG ASN A 46 -19.121 44.561 -61.288 1.00 98.00 C ATOM 458 OD1 ASN A 46 -19.313 45.003 -62.423 1.00102.52 O ATOM 459 ND2 ASN A 46 -18.590 45.299 -60.311 1.00 97.47 N ATOM 460 HD22 ASN A 46 -18.445 44.886 -59.367 1.00 0.00 H ATOM 461 HD21 ASN A 46 -18.321 46.287 -60.493 1.00 0.00 H ATOM 462 H ASN A 46 -21.261 42.573 -58.588 1.00 0.00 H ATOM 463 N GLY A 47 -22.655 41.297 -61.322 1.00 73.19 N ATOM 464 CA GLY A 47 -23.215 39.967 -61.414 1.00 64.53 C ATOM 465 C GLY A 47 -23.261 39.349 -60.032 1.00 66.38 C ATOM 466 O GLY A 47 -23.884 39.896 -59.115 1.00 62.63 O ATOM 467 H GLY A 47 -23.250 42.121 -61.541 1.00 0.00 H ATOM 468 N ASP A 48 -22.585 38.214 -59.881 1.00 68.68 N ATOM 469 CA ASP A 48 -22.571 37.464 -58.627 1.00 69.38 C ATOM 470 C ASP A 48 -21.681 38.077 -57.550 1.00 59.03 C ATOM 471 O ASP A 48 -21.825 37.755 -56.373 1.00 54.54 O ATOM 472 CB ASP A 48 -22.104 36.033 -58.878 1.00 77.71 C ATOM 473 CG ASP A 48 -23.238 35.047 -58.851 1.00 93.09 C ATOM 474 OD1 ASP A 48 -24.401 35.481 -59.032 1.00 98.90 O ATOM 475 OD2 ASP A 48 -22.967 33.840 -58.649 1.00 97.53 O ATOM 476 H ASP A 48 -22.044 37.845 -60.689 1.00 0.00 H ATOM 477 N ILE A 49 -20.757 38.942 -57.956 1.00 51.66 N ATOM 478 CA ILE A 49 -19.733 39.437 -57.046 1.00 51.04 C ATOM 479 C ILE A 49 -20.030 40.821 -56.475 1.00 55.63 C ATOM 480 O ILE A 49 -20.201 41.791 -57.215 1.00 62.36 O ATOM 481 CB ILE A 49 -18.365 39.469 -57.724 1.00 50.76 C ATOM 482 CG1 ILE A 49 -18.024 38.090 -58.278 1.00 53.43 C ATOM 483 CG2 ILE A 49 -17.310 39.912 -56.748 1.00 58.10 C ATOM 484 CD1 ILE A 49 -16.591 37.999 -58.756 1.00 59.68 C ATOM 485 H ILE A 49 -20.765 39.272 -58.942 1.00 0.00 H ATOM 486 N LEU A 50 -20.091 40.891 -55.149 1.00 50.89 N ATOM 487 CA LEU A 50 -20.236 42.151 -54.438 1.00 47.28 C ATOM 488 C LEU A 50 -18.868 42.688 -54.071 1.00 52.02 C ATOM 489 O LEU A 50 -17.993 41.936 -53.622 1.00 52.13 O ATOM 490 CB LEU A 50 -21.035 41.961 -53.150 1.00 44.34 C ATOM 491 CG LEU A 50 -22.548 41.910 -53.296 1.00 52.94 C ATOM 492 CD1 LEU A 50 -23.170 41.767 -51.928 1.00 55.47 C ATOM 493 CD2 LEU A 50 -23.035 43.185 -53.979 1.00 54.27 C ATOM 494 H LEU A 50 -20.033 40.010 -54.599 1.00 0.00 H ATOM 495 N THR A 51 -18.695 43.992 -54.261 1.00 52.64 N ATOM 496 CA THR A 51 -17.484 44.678 -53.843 1.00 53.17 C ATOM 497 C THR A 51 -17.849 45.739 -52.825 1.00 55.85 C ATOM 498 O THR A 51 -18.869 46.418 -52.936 1.00 58.72 O ATOM 499 CB THR A 51 -16.759 45.341 -55.023 1.00 54.52 C ATOM 500 OG1 THR A 51 -16.403 44.339 -55.978 1.00 58.64 O ATOM 501 CG2 THR A 51 -15.488 46.036 -54.551 1.00 54.08 C ATOM 502 HG1 THR A 51 -15.806 43.675 -55.551 1.00 0.00 H ATOM 503 H THR A 51 -19.450 44.538 -54.723 1.00 0.00 H ATOM 504 N LEU A 52 -16.995 45.888 -51.833 1.00 56.60 N ATOM 505 CA LEU A 52 -17.250 46.816 -50.762 1.00 53.50 C ATOM 506 C LEU A 52 -15.961 47.596 -50.516 1.00 51.77 C ATOM 507 O LEU A 52 -14.943 47.028 -50.101 1.00 52.35 O ATOM 508 CB LEU A 52 -17.672 46.025 -49.533 1.00 56.47 C ATOM 509 CG LEU A 52 -18.675 46.657 -48.591 1.00 62.84 C ATOM 510 CD1 LEU A 52 -19.170 45.603 -47.647 1.00 55.98 C ATOM 511 CD2 LEU A 52 -17.985 47.784 -47.841 1.00 73.52 C ATOM 512 H LEU A 52 -16.121 45.325 -51.823 1.00 0.00 H ATOM 513 N LYS A 53 -15.987 48.893 -50.801 1.00 47.27 N ATOM 514 CA LYS A 53 -14.779 49.698 -50.689 1.00 50.99 C ATOM 515 C LYS A 53 -14.928 50.739 -49.597 1.00 57.62 C ATOM 516 O LYS A 53 -15.928 51.455 -49.554 1.00 57.72 O ATOM 517 CB LYS A 53 -14.479 50.398 -52.012 1.00 46.21 C ATOM 518 CG LYS A 53 -14.229 49.478 -53.194 1.00 44.85 C ATOM 519 CD LYS A 53 -14.186 50.312 -54.484 1.00 51.09 C ATOM 520 CE LYS A 53 -14.189 49.447 -55.721 1.00 60.34 C ATOM 521 NZ LYS A 53 -14.448 50.247 -56.952 1.00 69.43 N ATOM 522 HZ1 LYS A 53 -15.376 50.711 -56.874 1.00 0.00 H ATOM 523 HZ2 LYS A 53 -13.706 50.968 -57.058 1.00 0.00 H ATOM 524 HZ3 LYS A 53 -14.442 49.618 -57.780 1.00 0.00 H ATOM 525 H LYS A 53 -16.877 49.337 -51.106 1.00 0.00 H ATOM 526 N THR A 54 -13.942 50.818 -48.709 1.00 53.36 N ATOM 527 CA THR A 54 -13.905 51.923 -47.761 1.00 57.59 C ATOM 528 C THR A 54 -12.766 52.875 -48.095 1.00 60.83 C ATOM 529 O THR A 54 -11.623 52.457 -48.260 1.00 61.60 O ATOM 530 CB THR A 54 -13.811 51.462 -46.289 1.00 54.97 C ATOM 531 OG1 THR A 54 -15.076 50.938 -45.868 1.00 50.67 O ATOM 532 CG2 THR A 54 -13.457 52.641 -45.389 1.00 53.81 C ATOM 533 HG1 THR A 54 -15.013 50.644 -44.925 1.00 0.00 H ATOM 534 H THR A 54 -13.198 50.092 -48.691 1.00 0.00 H ATOM 535 N HIS A 55 -13.101 54.156 -48.212 1.00 64.19 N ATOM 536 CA HIS A 55 -12.121 55.201 -48.488 1.00 62.35 C ATOM 537 C HIS A 55 -12.051 56.177 -47.318 1.00 54.57 C ATOM 538 O HIS A 55 -13.068 56.738 -46.913 1.00 45.66 O ATOM 539 CB HIS A 55 -12.489 55.953 -49.771 1.00 67.61 C ATOM 540 CG HIS A 55 -12.315 55.145 -51.023 1.00 75.42 C ATOM 541 ND1 HIS A 55 -13.141 55.281 -52.119 1.00 76.51 N ATOM 542 CD2 HIS A 55 -11.404 54.199 -51.357 1.00 77.05 C ATOM 543 CE1 HIS A 55 -12.753 54.448 -53.069 1.00 76.35 C ATOM 544 NE2 HIS A 55 -11.701 53.781 -52.632 1.00 77.89 N ATOM 545 H HIS A 55 -14.100 54.424 -48.103 1.00 0.00 H ATOM 546 N SER A 56 -10.854 56.372 -46.770 1.00 54.12 N ATOM 547 CA SER A 56 -10.660 57.347 -45.702 1.00 55.81 C ATOM 548 C SER A 56 -9.173 57.686 -45.516 1.00 61.65 C ATOM 549 O SER A 56 -8.307 56.932 -45.962 1.00 65.02 O ATOM 550 CB SER A 56 -11.241 56.812 -44.394 1.00 55.49 C ATOM 551 OG SER A 56 -10.228 56.229 -43.590 1.00 56.09 O ATOM 552 HG SER A 56 -9.808 55.480 -44.082 1.00 0.00 H ATOM 553 H SER A 56 -10.041 55.819 -47.109 1.00 0.00 H ATOM 554 N THR A 57 -8.880 58.808 -44.853 1.00 59.47 N ATOM 555 CA THR A 57 -7.490 59.194 -44.586 1.00 61.35 C ATOM 556 C THR A 57 -6.768 58.182 -43.699 1.00 62.53 C ATOM 557 O THR A 57 -5.550 58.049 -43.758 1.00 59.85 O ATOM 558 CB THR A 57 -7.354 60.617 -43.965 1.00 55.44 C ATOM 559 OG1 THR A 57 -8.266 60.785 -42.864 1.00 58.78 O ATOM 560 CG2 THR A 57 -7.615 61.689 -45.009 1.00 48.75 C ATOM 561 HG1 THR A 57 -8.067 60.112 -42.166 1.00 0.00 H ATOM 562 H THR A 57 -9.652 59.420 -44.520 1.00 0.00 H ATOM 563 N PHE A 58 -7.528 57.470 -42.877 1.00 64.29 N ATOM 564 CA PHE A 58 -6.953 56.473 -41.986 1.00 62.96 C ATOM 565 C PHE A 58 -6.510 55.219 -42.727 1.00 63.32 C ATOM 566 O PHE A 58 -5.457 54.657 -42.437 1.00 65.30 O ATOM 567 CB PHE A 58 -7.955 56.082 -40.901 1.00 56.39 C ATOM 568 CG PHE A 58 -7.605 54.805 -40.195 1.00 54.10 C ATOM 569 CD1 PHE A 58 -6.474 54.727 -39.402 1.00 49.31 C ATOM 570 CD2 PHE A 58 -8.407 53.679 -40.324 1.00 47.95 C ATOM 571 CE1 PHE A 58 -6.148 53.556 -38.752 1.00 49.02 C ATOM 572 CE2 PHE A 58 -8.086 52.505 -39.672 1.00 47.60 C ATOM 573 CZ PHE A 58 -6.964 52.437 -38.884 1.00 46.38 C ATOM 574 H PHE A 58 -8.556 57.628 -42.869 1.00 0.00 H ATOM 575 N LYS A 59 -7.324 54.777 -43.677 1.00 61.77 N ATOM 576 CA LYS A 59 -7.082 53.505 -44.324 1.00 58.74 C ATOM 577 C LYS A 59 -8.074 53.320 -45.464 1.00 60.04 C ATOM 578 O LYS A 59 -9.232 53.719 -45.347 1.00 61.65 O ATOM 579 CB LYS A 59 -7.229 52.385 -43.295 1.00 63.32 C ATOM 580 CG LYS A 59 -6.872 51.000 -43.804 1.00 78.28 C ATOM 581 CD LYS A 59 -5.425 50.616 -43.507 1.00 86.05 C ATOM 582 CE LYS A 59 -5.080 49.288 -44.177 1.00 91.59 C ATOM 583 NZ LYS A 59 -3.678 48.862 -43.908 1.00 97.02 N ATOM 584 HZ1 LYS A 59 -3.022 49.584 -44.269 1.00 0.00 H ATOM 585 HZ2 LYS A 59 -3.542 48.750 -42.883 1.00 0.00 H ATOM 586 HZ3 LYS A 59 -3.495 47.956 -44.385 1.00 0.00 H ATOM 587 H LYS A 59 -8.144 55.350 -43.960 1.00 0.00 H ATOM 588 N ASN A 60 -7.609 52.754 -46.579 1.00 59.03 N ATOM 589 CA ASN A 60 -8.493 52.329 -47.661 1.00 56.11 C ATOM 590 C ASN A 60 -8.475 50.820 -47.764 1.00 62.43 C ATOM 591 O ASN A 60 -7.404 50.210 -47.756 1.00 66.67 O ATOM 592 CB ASN A 60 -8.069 52.901 -49.004 1.00 53.56 C ATOM 593 CG ASN A 60 -7.877 54.391 -48.966 1.00 61.98 C ATOM 594 OD1 ASN A 60 -8.744 55.143 -48.509 1.00 62.26 O ATOM 595 ND2 ASN A 60 -6.723 54.833 -49.440 1.00 65.97 N ATOM 596 HD22 ASN A 60 -6.023 54.161 -49.815 1.00 0.00 H ATOM 597 HD21 ASN A 60 -6.516 55.852 -49.438 1.00 0.00 H ATOM 598 H ASN A 60 -6.584 52.611 -46.681 1.00 0.00 H ATOM 599 N THR A 61 -9.661 50.224 -47.863 1.00 59.27 N ATOM 600 CA THR A 61 -9.800 48.777 -47.935 1.00 56.96 C ATOM 601 C THR A 61 -10.758 48.395 -49.056 1.00 57.65 C ATOM 602 O THR A 61 -11.649 49.167 -49.432 1.00 56.63 O ATOM 603 CB THR A 61 -10.352 48.206 -46.618 1.00 55.58 C ATOM 604 OG1 THR A 61 -11.667 48.728 -46.392 1.00 55.26 O ATOM 605 CG2 THR A 61 -9.459 48.585 -45.447 1.00 51.59 C ATOM 606 HG1 THR A 61 -12.025 48.362 -45.545 1.00 0.00 H ATOM 607 H THR A 61 -10.518 50.813 -47.890 1.00 0.00 H ATOM 608 N GLU A 62 -10.573 47.198 -49.594 1.00 55.60 N ATOM 609 CA GLU A 62 -11.478 46.699 -50.612 1.00 59.72 C ATOM 610 C GLU A 62 -11.666 45.193 -50.518 1.00 64.19 C ATOM 611 O GLU A 62 -10.696 44.433 -50.541 1.00 65.57 O ATOM 612 CB GLU A 62 -10.980 47.064 -52.003 1.00 60.51 C ATOM 613 CG GLU A 62 -11.784 46.416 -53.115 1.00 63.43 C ATOM 614 CD GLU A 62 -11.342 46.886 -54.480 1.00 73.00 C ATOM 615 OE1 GLU A 62 -10.845 48.035 -54.570 1.00 77.53 O ATOM 616 OE2 GLU A 62 -11.479 46.108 -55.454 1.00 73.07 O ATOM 617 H GLU A 62 -9.772 46.611 -49.284 1.00 0.00 H ATOM 618 N ILE A 63 -12.921 44.767 -50.418 1.00 62.43 N ATOM 619 CA ILE A 63 -13.235 43.344 -50.451 1.00 60.81 C ATOM 620 C ILE A 63 -14.264 42.996 -51.536 1.00 61.08 C ATOM 621 O ILE A 63 -15.218 43.747 -51.785 1.00 55.87 O ATOM 622 CB ILE A 63 -13.695 42.818 -49.061 1.00 55.94 C ATOM 623 CG1 ILE A 63 -14.997 43.494 -48.610 1.00 51.90 C ATOM 624 CG2 ILE A 63 -12.588 43.012 -48.026 1.00 52.75 C ATOM 625 CD1 ILE A 63 -15.621 42.865 -47.375 1.00 46.50 C ATOM 626 H ILE A 63 -13.690 45.459 -50.315 1.00 0.00 H ATOM 627 N SER A 64 -14.042 41.865 -52.198 1.00 58.10 N ATOM 628 CA SER A 64 -15.016 41.323 -53.141 1.00 56.71 C ATOM 629 C SER A 64 -15.392 39.909 -52.724 1.00 57.84 C ATOM 630 O SER A 64 -14.555 39.145 -52.234 1.00 53.87 O ATOM 631 CB SER A 64 -14.473 41.315 -54.565 1.00 59.21 C ATOM 632 OG SER A 64 -14.469 42.619 -55.108 1.00 67.59 O ATOM 633 HG SER A 64 -15.394 42.973 -55.121 1.00 0.00 H ATOM 634 H SER A 64 -13.151 41.353 -52.040 1.00 0.00 H ATOM 635 N PHE A 65 -16.656 39.559 -52.917 1.00 54.33 N ATOM 636 CA PHE A 65 -17.141 38.292 -52.414 1.00 49.50 C ATOM 637 C PHE A 65 -18.464 37.910 -53.052 1.00 50.55 C ATOM 638 O PHE A 65 -19.162 38.758 -53.624 1.00 48.96 O ATOM 639 CB PHE A 65 -17.295 38.367 -50.891 1.00 49.04 C ATOM 640 CG PHE A 65 -18.249 39.434 -50.423 1.00 51.47 C ATOM 641 CD1 PHE A 65 -19.616 39.187 -50.367 1.00 52.64 C ATOM 642 CD2 PHE A 65 -17.781 40.679 -50.025 1.00 56.58 C ATOM 643 CE1 PHE A 65 -20.502 40.169 -49.932 1.00 52.08 C ATOM 644 CE2 PHE A 65 -18.661 41.667 -49.585 1.00 57.27 C ATOM 645 CZ PHE A 65 -20.024 41.409 -49.542 1.00 53.96 C ATOM 646 H PHE A 65 -17.299 40.195 -53.430 1.00 0.00 H ATOM 647 N LYS A 66 -18.791 36.623 -52.964 1.00 43.81 N ATOM 648 CA LYS A 66 -20.108 36.135 -53.351 1.00 45.26 C ATOM 649 C LYS A 66 -20.876 35.792 -52.080 1.00 38.48 C ATOM 650 O LYS A 66 -20.293 35.304 -51.105 1.00 41.28 O ATOM 651 CB LYS A 66 -19.992 34.916 -54.265 1.00 50.79 C ATOM 652 CG LYS A 66 -19.313 35.189 -55.602 1.00 57.52 C ATOM 653 CD LYS A 66 -19.174 33.898 -56.420 1.00 62.54 C ATOM 654 CE LYS A 66 -19.082 34.171 -57.919 1.00 71.59 C ATOM 655 NZ LYS A 66 -19.281 32.923 -58.727 1.00 78.39 N ATOM 656 HZ1 LYS A 66 -18.549 32.228 -58.476 1.00 0.00 H ATOM 657 HZ2 LYS A 66 -20.221 32.526 -58.524 1.00 0.00 H ATOM 658 HZ3 LYS A 66 -19.211 33.152 -59.739 1.00 0.00 H ATOM 659 H LYS A 66 -18.086 35.946 -52.609 1.00 0.00 H ATOM 660 N LEU A 67 -22.171 36.093 -52.066 1.00 37.39 N ATOM 661 CA LEU A 67 -22.989 35.803 -50.898 1.00 38.67 C ATOM 662 C LEU A 67 -22.862 34.313 -50.583 1.00 42.33 C ATOM 663 O LEU A 67 -22.864 33.477 -51.492 1.00 38.30 O ATOM 664 CB LEU A 67 -24.456 36.127 -51.161 1.00 39.26 C ATOM 665 CG LEU A 67 -24.938 37.568 -51.257 1.00 45.44 C ATOM 666 CD1 LEU A 67 -26.448 37.561 -51.452 1.00 42.78 C ATOM 667 CD2 LEU A 67 -24.565 38.318 -49.999 1.00 43.30 C ATOM 668 H LEU A 67 -22.604 36.541 -52.899 1.00 0.00 H ATOM 669 N GLY A 68 -22.747 33.992 -49.299 1.00 38.60 N ATOM 670 CA GLY A 68 -22.705 32.613 -48.843 1.00 40.99 C ATOM 671 C GLY A 68 -21.441 31.840 -49.168 1.00 39.14 C ATOM 672 O GLY A 68 -21.408 30.630 -48.985 1.00 42.68 O ATOM 673 H GLY A 68 -22.685 34.755 -48.595 1.00 0.00 H ATOM 674 N VAL A 69 -20.403 32.514 -49.659 1.00 40.16 N ATOM 675 CA VAL A 69 -19.142 31.820 -49.970 1.00 35.52 C ATOM 676 C VAL A 69 -17.959 32.374 -49.179 1.00 39.34 C ATOM 677 O VAL A 69 -17.613 33.559 -49.292 1.00 36.82 O ATOM 678 CB VAL A 69 -18.815 31.849 -51.465 1.00 37.88 C ATOM 679 CG1 VAL A 69 -17.456 31.178 -51.716 1.00 28.48 C ATOM 680 CG2 VAL A 69 -19.922 31.149 -52.249 1.00 37.85 C ATOM 681 H VAL A 69 -20.483 33.538 -49.824 1.00 0.00 H ATOM 682 N GLU A 70 -17.349 31.513 -48.373 1.00 34.39 N ATOM 683 CA GLU A 70 -16.308 31.937 -47.466 1.00 40.09 C ATOM 684 C GLU A 70 -15.122 32.507 -48.238 1.00 49.07 C ATOM 685 O GLU A 70 -14.789 32.032 -49.324 1.00 50.75 O ATOM 686 CB GLU A 70 -15.868 30.784 -46.583 1.00 48.22 C ATOM 687 CG GLU A 70 -14.637 31.091 -45.755 1.00 66.89 C ATOM 688 CD GLU A 70 -14.817 30.671 -44.310 1.00 86.65 C ATOM 689 OE1 GLU A 70 -14.010 29.844 -43.817 1.00 93.97 O ATOM 690 OE2 GLU A 70 -15.778 31.167 -43.673 1.00 89.11 O ATOM 691 H GLU A 70 -17.627 30.511 -48.395 1.00 0.00 H ATOM 692 N PHE A 71 -14.506 33.544 -47.679 1.00 44.16 N ATOM 693 CA PHE A 71 -13.377 34.193 -48.318 1.00 41.40 C ATOM 694 C PHE A 71 -12.432 34.811 -47.287 1.00 48.84 C ATOM 695 O PHE A 71 -12.865 35.263 -46.225 1.00 51.24 O ATOM 696 CB PHE A 71 -13.875 35.249 -49.303 1.00 43.91 C ATOM 697 CG PHE A 71 -14.541 36.442 -48.647 1.00 47.21 C ATOM 698 CD1 PHE A 71 -15.879 36.393 -48.271 1.00 44.90 C ATOM 699 CD2 PHE A 71 -13.827 37.617 -48.427 1.00 43.83 C ATOM 700 CE1 PHE A 71 -16.491 37.490 -47.681 1.00 50.15 C ATOM 701 CE2 PHE A 71 -14.428 38.720 -47.838 1.00 45.15 C ATOM 702 CZ PHE A 71 -15.761 38.659 -47.466 1.00 51.20 C ATOM 703 H PHE A 71 -14.842 33.899 -46.761 1.00 0.00 H ATOM 704 N ASP A 72 -11.142 34.831 -47.611 1.00 49.41 N ATOM 705 CA ASP A 72 -10.133 35.432 -46.742 1.00 49.83 C ATOM 706 C ASP A 72 -10.119 36.957 -46.832 1.00 48.66 C ATOM 707 O ASP A 72 -10.301 37.536 -47.909 1.00 48.30 O ATOM 708 CB ASP A 72 -8.737 34.883 -47.062 1.00 58.69 C ATOM 709 CG ASP A 72 -8.579 33.416 -46.688 1.00 69.15 C ATOM 710 OD1 ASP A 72 -9.491 32.851 -46.039 1.00 76.41 O ATOM 711 OD2 ASP A 72 -7.532 32.829 -47.033 1.00 71.55 O ATOM 712 H ASP A 72 -10.842 34.405 -48.511 1.00 0.00 H ATOM 713 N GLU A 73 -9.882 37.602 -45.694 1.00 45.42 N ATOM 714 CA GLU A 73 -9.921 39.055 -45.621 1.00 45.60 C ATOM 715 C GLU A 73 -8.851 39.568 -44.670 1.00 50.64 C ATOM 716 O GLU A 73 -8.612 38.985 -43.605 1.00 47.51 O ATOM 717 CB GLU A 73 -11.304 39.527 -45.141 1.00 42.01 C ATOM 718 CG GLU A 73 -11.489 41.050 -45.107 1.00 43.62 C ATOM 719 CD GLU A 73 -12.756 41.477 -44.361 1.00 54.02 C ATOM 720 OE1 GLU A 73 -13.518 40.583 -43.923 1.00 49.66 O ATOM 721 OE2 GLU A 73 -12.988 42.702 -44.204 1.00 53.92 O ATOM 722 H GLU A 73 -9.664 37.056 -44.836 1.00 0.00 H ATOM 723 N THR A 74 -8.201 40.660 -45.055 1.00 52.90 N ATOM 724 CA THR A 74 -7.320 41.371 -44.139 1.00 46.76 C ATOM 725 C THR A 74 -7.997 42.671 -43.774 1.00 49.32 C ATOM 726 O THR A 74 -8.259 43.516 -44.633 1.00 52.56 O ATOM 727 CB THR A 74 -5.962 41.644 -44.764 1.00 51.17 C ATOM 728 OG1 THR A 74 -5.298 40.395 -44.968 1.00 51.96 O ATOM 729 CG2 THR A 74 -5.102 42.557 -43.849 1.00 37.91 C ATOM 730 HG1 THR A 74 -4.410 40.557 -45.375 1.00 0.00 H ATOM 731 H THR A 74 -8.323 41.013 -46.026 1.00 0.00 H ATOM 732 N THR A 75 -8.298 42.824 -42.494 1.00 47.07 N ATOM 733 CA THR A 75 -9.124 43.931 -42.053 1.00 46.25 C ATOM 734 C THR A 75 -8.311 45.220 -41.984 1.00 51.92 C ATOM 735 O THR A 75 -7.086 45.203 -42.115 1.00 47.77 O ATOM 736 CB THR A 75 -9.733 43.634 -40.691 1.00 44.31 C ATOM 737 OG1 THR A 75 -8.679 43.478 -39.730 1.00 40.95 O ATOM 738 CG2 THR A 75 -10.556 42.350 -40.752 1.00 39.35 C ATOM 739 HG1 THR A 75 -9.070 43.284 -38.841 1.00 0.00 H ATOM 740 H THR A 75 -7.938 42.142 -41.796 1.00 0.00 H ATOM 741 N ALA A 76 -9.006 46.332 -41.783 1.00 52.94 N ATOM 742 CA ALA A 76 -8.369 47.638 -41.677 1.00 51.45 C ATOM 743 C ALA A 76 -7.347 47.663 -40.548 1.00 58.40 C ATOM 744 O ALA A 76 -6.322 48.332 -40.659 1.00 66.52 O ATOM 745 CB ALA A 76 -9.416 48.719 -41.468 1.00 45.87 C ATOM 746 H ALA A 76 -10.041 46.269 -41.698 1.00 0.00 H ATOM 747 N ASP A 77 -7.633 46.938 -39.466 1.00 56.62 N ATOM 748 CA ASP A 77 -6.707 46.826 -38.339 1.00 52.97 C ATOM 749 C ASP A 77 -5.783 45.614 -38.487 1.00 50.65 C ATOM 750 O ASP A 77 -5.152 45.167 -37.523 1.00 49.18 O ATOM 751 CB ASP A 77 -7.456 46.759 -37.008 1.00 49.64 C ATOM 752 CG ASP A 77 -8.423 45.596 -36.942 1.00 54.70 C ATOM 753 OD1 ASP A 77 -9.198 45.402 -37.903 1.00 54.19 O ATOM 754 OD2 ASP A 77 -8.407 44.872 -35.924 1.00 56.90 O ATOM 755 H ASP A 77 -8.543 46.436 -39.422 1.00 0.00 H ATOM 756 N ASP A 78 -5.717 45.084 -39.703 1.00 53.22 N ATOM 757 CA ASP A 78 -4.761 44.035 -40.034 1.00 59.47 C ATOM 758 C ASP A 78 -4.952 42.721 -39.299 1.00 58.83 C ATOM 759 O ASP A 78 -3.976 42.061 -38.942 1.00 64.30 O ATOM 760 CB ASP A 78 -3.325 44.530 -39.841 1.00 70.65 C ATOM 761 CG ASP A 78 -2.809 45.266 -41.054 1.00 83.43 C ATOM 762 OD1 ASP A 78 -2.972 46.508 -41.103 1.00 85.78 O ATOM 763 OD2 ASP A 78 -2.261 44.595 -41.966 1.00 86.40 O ATOM 764 H ASP A 78 -6.366 45.427 -40.440 1.00 0.00 H ATOM 765 N ARG A 79 -6.203 42.343 -39.066 1.00 57.64 N ATOM 766 CA ARG A 79 -6.508 40.974 -38.684 1.00 46.57 C ATOM 767 C ARG A 79 -6.593 40.189 -39.978 1.00 52.59 C ATOM 768 O ARG A 79 -7.087 40.694 -40.996 1.00 52.94 O ATOM 769 CB ARG A 79 -7.830 40.883 -37.917 1.00 37.10 C ATOM 770 CG ARG A 79 -7.734 41.250 -36.438 1.00 37.67 C ATOM 771 CD ARG A 79 -9.124 41.418 -35.810 1.00 44.18 C ATOM 772 NE ARG A 79 -9.825 42.564 -36.387 1.00 44.23 N ATOM 773 CZ ARG A 79 -11.052 42.529 -36.901 1.00 43.40 C ATOM 774 NH1 ARG A 79 -11.759 41.396 -36.913 1.00 42.31 N ATOM 775 NH2 ARG A 79 -11.583 43.644 -37.395 1.00 41.12 N ATOM 776 HE ARG A 79 -9.326 43.477 -36.396 1.00 0.00 H ATOM 777 HH12 ARG A 79 -12.717 41.385 -37.318 1.00 0.00 H ATOM 778 HH11 ARG A 79 -11.352 40.525 -36.517 1.00 0.00 H ATOM 779 HH22 ARG A 79 -12.541 43.629 -37.799 1.00 0.00 H ATOM 780 HH21 ARG A 79 -11.040 44.531 -37.377 1.00 0.00 H ATOM 781 H ARG A 79 -6.974 43.035 -39.158 1.00 0.00 H ATOM 782 N LYS A 80 -6.065 38.973 -39.957 1.00 55.80 N ATOM 783 CA LYS A 80 -6.299 38.053 -41.057 1.00 59.47 C ATOM 784 C LYS A 80 -7.427 37.118 -40.643 1.00 51.03 C ATOM 785 O LYS A 80 -7.256 36.287 -39.758 1.00 47.45 O ATOM 786 CB LYS A 80 -5.016 37.298 -41.423 1.00 62.88 C ATOM 787 CG LYS A 80 -4.302 37.924 -42.618 1.00 70.77 C ATOM 788 CD LYS A 80 -2.805 38.060 -42.420 1.00 76.95 C ATOM 789 CE LYS A 80 -2.039 36.972 -43.161 1.00 80.51 C ATOM 790 NZ LYS A 80 -0.603 37.335 -43.322 1.00 84.08 N ATOM 791 HZ1 LYS A 80 -0.529 38.220 -43.863 1.00 0.00 H ATOM 792 HZ2 LYS A 80 -0.172 37.464 -42.384 1.00 0.00 H ATOM 793 HZ3 LYS A 80 -0.109 36.574 -43.830 1.00 0.00 H ATOM 794 H LYS A 80 -5.481 38.676 -39.149 1.00 0.00 H ATOM 795 N VAL A 81 -8.592 37.276 -41.265 1.00 48.02 N ATOM 796 CA VAL A 81 -9.780 36.547 -40.828 1.00 41.53 C ATOM 797 C VAL A 81 -10.426 35.720 -41.941 1.00 44.72 C ATOM 798 O VAL A 81 -10.227 35.995 -43.130 1.00 46.54 O ATOM 799 CB VAL A 81 -10.840 37.516 -40.257 1.00 41.68 C ATOM 800 CG1 VAL A 81 -10.207 38.455 -39.229 1.00 41.82 C ATOM 801 CG2 VAL A 81 -11.512 38.317 -41.383 1.00 39.60 C ATOM 802 H VAL A 81 -8.658 37.927 -42.073 1.00 0.00 H ATOM 803 N LYS A 82 -11.178 34.695 -41.535 1.00 40.05 N ATOM 804 CA LYS A 82 -12.085 33.971 -42.421 1.00 43.15 C ATOM 805 C LYS A 82 -13.431 34.707 -42.393 1.00 37.23 C ATOM 806 O LYS A 82 -14.003 34.930 -41.324 1.00 37.61 O ATOM 807 CB LYS A 82 -12.283 32.530 -41.932 1.00 49.40 C ATOM 808 CG LYS A 82 -11.017 31.676 -41.903 1.00 62.49 C ATOM 809 CD LYS A 82 -10.491 31.421 -43.312 1.00 75.44 C ATOM 810 CE LYS A 82 -9.271 30.495 -43.302 1.00 81.90 C ATOM 811 NZ LYS A 82 -8.784 30.180 -44.683 1.00 82.37 N ATOM 812 HZ1 LYS A 82 -9.542 29.709 -45.217 1.00 0.00 H ATOM 813 HZ2 LYS A 82 -8.515 31.062 -45.164 1.00 0.00 H ATOM 814 HZ3 LYS A 82 -7.958 29.551 -44.623 1.00 0.00 H ATOM 815 H LYS A 82 -11.115 34.398 -40.540 1.00 0.00 H ATOM 816 N SER A 83 -13.933 35.080 -43.561 1.00 35.60 N ATOM 817 CA SER A 83 -15.154 35.884 -43.657 1.00 37.75 C ATOM 818 C SER A 83 -16.258 35.199 -44.459 1.00 41.18 C ATOM 819 O SER A 83 -15.990 34.355 -45.319 1.00 36.84 O ATOM 820 CB SER A 83 -14.849 37.253 -44.291 1.00 36.76 C ATOM 821 OG SER A 83 -14.436 38.175 -43.301 1.00 41.70 O ATOM 822 HG SER A 83 -14.244 39.049 -43.725 1.00 0.00 H ATOM 823 H SER A 83 -13.446 34.794 -44.435 1.00 0.00 H ATOM 824 N ILE A 84 -17.501 35.586 -44.189 1.00 36.03 N ATOM 825 CA ILE A 84 -18.615 35.142 -45.007 1.00 34.59 C ATOM 826 C ILE A 84 -19.779 36.112 -44.841 1.00 38.59 C ATOM 827 O ILE A 84 -20.122 36.496 -43.723 1.00 42.47 O ATOM 828 CB ILE A 84 -19.059 33.698 -44.640 1.00 45.71 C ATOM 829 CG1 ILE A 84 -20.122 33.190 -45.615 1.00 39.90 C ATOM 830 CG2 ILE A 84 -19.610 33.658 -43.237 1.00 40.81 C ATOM 831 CD1 ILE A 84 -20.235 31.672 -45.638 1.00 44.75 C ATOM 832 H ILE A 84 -17.678 36.216 -43.380 1.00 0.00 H ATOM 833 N VAL A 85 -20.367 36.514 -45.964 1.00 35.16 N ATOM 834 CA VAL A 85 -21.442 37.499 -45.977 1.00 40.84 C ATOM 835 C VAL A 85 -22.734 36.823 -46.418 1.00 42.54 C ATOM 836 O VAL A 85 -22.787 36.187 -47.466 1.00 42.58 O ATOM 837 CB VAL A 85 -21.100 38.683 -46.913 1.00 38.17 C ATOM 838 CG1 VAL A 85 -22.205 39.735 -46.912 1.00 32.13 C ATOM 839 CG2 VAL A 85 -19.799 39.304 -46.485 1.00 37.52 C ATOM 840 H VAL A 85 -20.048 36.110 -46.868 1.00 0.00 H ATOM 841 N THR A 86 -23.766 36.931 -45.596 1.00 42.26 N ATOM 842 CA THR A 86 -25.055 36.365 -45.948 1.00 43.36 C ATOM 843 C THR A 86 -26.135 37.448 -45.967 1.00 48.96 C ATOM 844 O THR A 86 -25.890 38.593 -45.555 1.00 47.35 O ATOM 845 CB THR A 86 -25.443 35.261 -44.969 1.00 41.44 C ATOM 846 OG1 THR A 86 -25.478 35.800 -43.643 1.00 38.60 O ATOM 847 CG2 THR A 86 -24.416 34.116 -45.026 1.00 32.64 C ATOM 848 HG1 THR A 86 -24.584 36.154 -43.408 1.00 0.00 H ATOM 849 H THR A 86 -23.652 37.426 -44.689 1.00 0.00 H ATOM 850 N LEU A 87 -27.320 37.084 -46.456 1.00 45.82 N ATOM 851 CA LEU A 87 -28.461 37.987 -46.485 1.00 40.18 C ATOM 852 C LEU A 87 -29.624 37.390 -45.698 1.00 47.44 C ATOM 853 O LEU A 87 -30.177 36.370 -46.103 1.00 58.58 O ATOM 854 CB LEU A 87 -28.865 38.247 -47.933 1.00 38.52 C ATOM 855 CG LEU A 87 -29.920 39.311 -48.217 1.00 44.41 C ATOM 856 CD1 LEU A 87 -29.475 40.676 -47.699 1.00 44.26 C ATOM 857 CD2 LEU A 87 -30.198 39.367 -49.706 1.00 49.23 C ATOM 858 H LEU A 87 -27.433 36.120 -46.830 1.00 0.00 H ATOM 859 N ASP A 88 -29.966 38.003 -44.563 1.00 45.21 N ATOM 860 CA ASP A 88 -31.115 37.592 -43.750 1.00 53.22 C ATOM 861 C ASP A 88 -32.186 38.629 -43.925 1.00 58.21 C ATOM 862 O ASP A 88 -32.127 39.682 -43.296 1.00 57.53 O ATOM 863 CB ASP A 88 -30.781 37.570 -42.261 1.00 68.31 C ATOM 864 CG ASP A 88 -29.912 36.402 -41.865 1.00 90.25 C ATOM 865 OD1 ASP A 88 -29.133 35.913 -42.718 1.00 96.04 O ATOM 866 OD2 ASP A 88 -30.002 35.983 -40.686 1.00 96.48 O ATOM 867 H ASP A 88 -29.392 38.808 -44.241 1.00 0.00 H ATOM 868 N GLY A 89 -33.170 38.337 -44.764 1.00 61.05 N ATOM 869 CA GLY A 89 -34.190 39.312 -45.075 1.00 61.09 C ATOM 870 C GLY A 89 -33.559 40.585 -45.607 1.00 59.94 C ATOM 871 O GLY A 89 -32.999 40.607 -46.713 1.00 64.15 O ATOM 872 H GLY A 89 -33.208 37.395 -45.203 1.00 0.00 H ATOM 873 N GLY A 90 -33.646 41.649 -44.815 1.00 53.23 N ATOM 874 CA GLY A 90 -33.084 42.930 -45.211 1.00 52.85 C ATOM 875 C GLY A 90 -31.639 43.133 -44.793 1.00 52.81 C ATOM 876 O GLY A 90 -30.948 43.993 -45.334 1.00 59.85 O ATOM 877 H GLY A 90 -34.125 41.564 -43.896 1.00 0.00 H ATOM 878 N LYS A 91 -31.176 42.338 -43.834 1.00 46.93 N ATOM 879 CA LYS A 91 -29.860 42.549 -43.243 1.00 48.02 C ATOM 880 C LYS A 91 -28.729 41.828 -43.980 1.00 46.86 C ATOM 881 O LYS A 91 -28.785 40.619 -44.212 1.00 44.78 O ATOM 882 CB LYS A 91 -29.868 42.134 -41.770 1.00 48.47 C ATOM 883 CG LYS A 91 -30.866 42.895 -40.922 1.00 55.45 C ATOM 884 CD LYS A 91 -31.002 42.247 -39.558 1.00 66.22 C ATOM 885 CE LYS A 91 -31.972 43.006 -38.674 1.00 74.81 C ATOM 886 NZ LYS A 91 -32.160 42.285 -37.387 1.00 80.75 N ATOM 887 HZ1 LYS A 91 -32.540 41.335 -37.575 1.00 0.00 H ATOM 888 HZ2 LYS A 91 -31.245 42.203 -36.900 1.00 0.00 H ATOM 889 HZ3 LYS A 91 -32.827 42.814 -36.789 1.00 0.00 H ATOM 890 H LYS A 91 -31.765 41.549 -43.498 1.00 0.00 H ATOM 891 N LEU A 92 -27.700 42.592 -44.334 1.00 44.08 N ATOM 892 CA LEU A 92 -26.484 42.055 -44.922 1.00 42.72 C ATOM 893 C LEU A 92 -25.524 41.742 -43.773 1.00 42.99 C ATOM 894 O LEU A 92 -24.971 42.650 -43.144 1.00 43.99 O ATOM 895 CB LEU A 92 -25.880 43.080 -45.881 1.00 46.33 C ATOM 896 CG LEU A 92 -24.854 42.655 -46.934 1.00 48.21 C ATOM 897 CD1 LEU A 92 -25.459 41.706 -47.954 1.00 49.39 C ATOM 898 CD2 LEU A 92 -24.274 43.887 -47.635 1.00 45.46 C ATOM 899 H LEU A 92 -27.768 43.619 -44.184 1.00 0.00 H ATOM 900 N VAL A 93 -25.339 40.452 -43.505 1.00 36.05 N ATOM 901 CA VAL A 93 -24.647 39.980 -42.310 1.00 30.11 C ATOM 902 C VAL A 93 -23.221 39.497 -42.617 1.00 42.96 C ATOM 903 O VAL A 93 -23.034 38.506 -43.315 1.00 43.09 O ATOM 904 CB VAL A 93 -25.442 38.831 -41.675 1.00 33.57 C ATOM 905 CG1 VAL A 93 -24.716 38.277 -40.462 1.00 32.23 C ATOM 906 CG2 VAL A 93 -26.871 39.299 -41.331 1.00 30.73 C ATOM 907 H VAL A 93 -25.704 39.748 -44.178 1.00 0.00 H ATOM 908 N HIS A 94 -22.220 40.205 -42.098 1.00 45.35 N ATOM 909 CA HIS A 94 -20.820 39.873 -42.357 1.00 34.85 C ATOM 910 C HIS A 94 -20.161 39.287 -41.107 1.00 37.23 C ATOM 911 O HIS A 94 -19.988 39.983 -40.116 1.00 43.33 O ATOM 912 CB HIS A 94 -20.072 41.116 -42.822 1.00 40.14 C ATOM 913 CG HIS A 94 -18.628 40.870 -43.132 1.00 46.17 C ATOM 914 ND1 HIS A 94 -17.800 41.846 -43.645 1.00 39.93 N ATOM 915 CD2 HIS A 94 -17.866 39.758 -43.003 1.00 44.31 C ATOM 916 CE1 HIS A 94 -16.591 41.346 -43.818 1.00 42.56 C ATOM 917 NE2 HIS A 94 -16.604 40.082 -43.431 1.00 45.88 N ATOM 918 H HIS A 94 -22.441 41.019 -41.490 1.00 0.00 H ATOM 919 N LEU A 95 -19.819 37.999 -41.149 1.00 40.06 N ATOM 920 CA LEU A 95 -19.170 37.317 -40.026 1.00 40.49 C ATOM 921 C LEU A 95 -17.654 37.122 -40.258 1.00 40.68 C ATOM 922 O LEU A 95 -17.244 36.580 -41.276 1.00 43.94 O ATOM 923 CB LEU A 95 -19.826 35.958 -39.793 1.00 34.65 C ATOM 924 CG LEU A 95 -19.135 35.086 -38.745 1.00 39.02 C ATOM 925 CD1 LEU A 95 -19.367 35.605 -37.321 1.00 38.06 C ATOM 926 CD2 LEU A 95 -19.641 33.667 -38.847 1.00 36.99 C ATOM 927 H LEU A 95 -20.021 37.457 -42.013 1.00 0.00 H ATOM 928 N GLN A 96 -16.831 37.574 -39.317 1.00 41.12 N ATOM 929 CA GLN A 96 -15.377 37.373 -39.388 1.00 37.40 C ATOM 930 C GLN A 96 -14.917 36.396 -38.290 1.00 35.47 C ATOM 931 O GLN A 96 -15.234 36.583 -37.116 1.00 39.67 O ATOM 932 CB GLN A 96 -14.629 38.718 -39.228 1.00 32.40 C ATOM 933 CG GLN A 96 -14.790 39.684 -40.394 1.00 36.12 C ATOM 934 CD GLN A 96 -14.224 41.099 -40.114 1.00 40.65 C ATOM 935 OE1 GLN A 96 -13.867 41.449 -38.986 1.00 36.44 O ATOM 936 NE2 GLN A 96 -14.152 41.905 -41.155 1.00 38.10 N ATOM 937 HE22 GLN A 96 -14.462 41.575 -42.091 1.00 0.00 H ATOM 938 HE21 GLN A 96 -13.785 42.871 -41.040 1.00 0.00 H ATOM 939 H GLN A 96 -17.229 38.086 -38.504 1.00 0.00 H ATOM 940 N LYS A 97 -14.175 35.356 -38.664 1.00 34.24 N ATOM 941 CA LYS A 97 -13.586 34.462 -37.675 1.00 35.66 C ATOM 942 C LYS A 97 -12.072 34.520 -37.774 1.00 40.66 C ATOM 943 O LYS A 97 -11.527 34.578 -38.873 1.00 45.25 O ATOM 944 CB LYS A 97 -14.014 33.019 -37.911 1.00 38.16 C ATOM 945 CG LYS A 97 -15.501 32.757 -37.918 1.00 47.36 C ATOM 946 CD LYS A 97 -15.737 31.259 -37.882 1.00 51.13 C ATOM 947 CE LYS A 97 -17.187 30.913 -38.163 1.00 65.97 C ATOM 948 NZ LYS A 97 -17.406 29.444 -38.000 1.00 70.97 N ATOM 949 HZ1 LYS A 97 -16.796 28.928 -38.666 1.00 0.00 H ATOM 950 HZ2 LYS A 97 -17.171 29.166 -37.026 1.00 0.00 H ATOM 951 HZ3 LYS A 97 -18.403 29.220 -38.195 1.00 0.00 H ATOM 952 H LYS A 97 -14.013 35.179 -39.676 1.00 0.00 H ATOM 953 N TRP A 98 -11.397 34.454 -36.632 1.00 42.50 N ATOM 954 CA TRP A 98 -9.935 34.472 -36.588 1.00 43.66 C ATOM 955 C TRP A 98 -9.492 34.250 -35.148 1.00 47.28 C ATOM 956 O TRP A 98 -10.132 34.755 -34.221 1.00 45.56 O ATOM 957 CB TRP A 98 -9.410 35.829 -37.055 1.00 44.38 C ATOM 958 CG TRP A 98 -9.383 36.857 -35.940 1.00 43.42 C ATOM 959 CD1 TRP A 98 -8.297 37.253 -35.231 1.00 42.49 C ATOM 960 CD2 TRP A 98 -10.505 37.580 -35.391 1.00 41.42 C ATOM 961 NE1 TRP A 98 -8.656 38.194 -34.289 1.00 38.42 N ATOM 962 CE2 TRP A 98 -10.004 38.411 -34.364 1.00 40.11 C ATOM 963 CE3 TRP A 98 -11.872 37.613 -35.677 1.00 41.80 C ATOM 964 CZ2 TRP A 98 -10.826 39.265 -33.615 1.00 34.06 C ATOM 965 CZ3 TRP A 98 -12.692 38.467 -34.930 1.00 46.85 C ATOM 966 CH2 TRP A 98 -12.161 39.276 -33.913 1.00 43.69 C ATOM 967 HE1 TRP A 98 -8.005 38.664 -33.627 1.00 0.00 H ATOM 968 H TRP A 98 -11.926 34.387 -35.739 1.00 0.00 H ATOM 969 N ASP A 99 -8.412 33.497 -34.950 1.00 45.19 N ATOM 970 CA ASP A 99 -7.825 33.360 -33.617 1.00 49.20 C ATOM 971 C ASP A 99 -8.833 32.929 -32.542 1.00 51.16 C ATOM 972 O ASP A 99 -8.777 33.416 -31.409 1.00 51.17 O ATOM 973 CB ASP A 99 -7.183 34.694 -33.214 1.00 57.31 C ATOM 974 CG ASP A 99 -6.553 34.651 -31.826 1.00 63.30 C ATOM 975 OD1 ASP A 99 -6.060 33.576 -31.421 1.00 61.34 O ATOM 976 OD2 ASP A 99 -6.565 35.693 -31.136 1.00 64.12 O ATOM 977 H ASP A 99 -7.980 32.999 -35.754 1.00 0.00 H ATOM 978 N GLY A 100 -9.757 32.033 -32.900 1.00 46.54 N ATOM 979 CA GLY A 100 -10.773 31.554 -31.969 1.00 41.22 C ATOM 980 C GLY A 100 -11.819 32.594 -31.586 1.00 45.59 C ATOM 981 O GLY A 100 -12.598 32.379 -30.662 1.00 41.38 O ATOM 982 H GLY A 100 -9.752 31.665 -33.873 1.00 0.00 H ATOM 983 N GLN A 101 -11.838 33.711 -32.315 1.00 44.62 N ATOM 984 CA GLN A 101 -12.701 34.855 -32.027 1.00 41.78 C ATOM 985 C GLN A 101 -13.668 35.135 -33.164 1.00 35.19 C ATOM 986 O GLN A 101 -13.472 34.672 -34.278 1.00 36.55 O ATOM 987 CB GLN A 101 -11.859 36.117 -31.792 1.00 37.18 C ATOM 988 CG GLN A 101 -11.228 36.193 -30.427 1.00 44.12 C ATOM 989 CD GLN A 101 -10.376 37.435 -30.273 1.00 49.38 C ATOM 990 OE1 GLN A 101 -9.172 37.406 -30.523 1.00 50.89 O ATOM 991 NE2 GLN A 101 -11.003 38.540 -29.886 1.00 42.76 N ATOM 992 HE22 GLN A 101 -12.023 38.516 -29.686 1.00 0.00 H ATOM 993 HE21 GLN A 101 -10.474 39.429 -29.783 1.00 0.00 H ATOM 994 H GLN A 101 -11.202 33.771 -33.136 1.00 0.00 H ATOM 995 N GLU A 102 -14.711 35.907 -32.869 1.00 37.68 N ATOM 996 CA GLU A 102 -15.729 36.251 -33.853 1.00 39.96 C ATOM 997 C GLU A 102 -16.251 37.671 -33.671 1.00 42.20 C ATOM 998 O GLU A 102 -16.422 38.164 -32.547 1.00 39.22 O ATOM 999 CB GLU A 102 -16.911 35.272 -33.796 1.00 34.48 C ATOM 1000 CG GLU A 102 -16.616 33.919 -34.456 1.00 53.27 C ATOM 1001 CD GLU A 102 -17.796 32.931 -34.417 1.00 55.52 C ATOM 1002 OE1 GLU A 102 -17.542 31.712 -34.304 1.00 64.60 O ATOM 1003 OE2 GLU A 102 -18.967 33.362 -34.517 1.00 45.65 O ATOM 1004 H GLU A 102 -14.803 36.278 -31.902 1.00 0.00 H ATOM 1005 N THR A 103 -16.540 38.314 -34.793 1.00 29.27 N ATOM 1006 CA THR A 103 -17.163 39.616 -34.749 1.00 30.73 C ATOM 1007 C THR A 103 -18.098 39.697 -35.948 1.00 37.10 C ATOM 1008 O THR A 103 -17.822 39.109 -37.004 1.00 38.07 O ATOM 1009 CB THR A 103 -16.098 40.749 -34.744 1.00 34.59 C ATOM 1010 OG1 THR A 103 -16.749 42.019 -34.630 1.00 41.75 O ATOM 1011 CG2 THR A 103 -15.245 40.714 -36.030 1.00 28.81 C ATOM 1012 HG1 THR A 103 -17.266 42.049 -33.786 1.00 0.00 H ATOM 1013 H THR A 103 -16.317 37.878 -35.711 1.00 0.00 H ATOM 1014 N THR A 104 -19.223 40.386 -35.778 1.00 33.47 N ATOM 1015 CA THR A 104 -20.187 40.502 -36.863 1.00 39.66 C ATOM 1016 C THR A 104 -20.355 41.942 -37.278 1.00 39.61 C ATOM 1017 O THR A 104 -20.313 42.845 -36.450 1.00 48.38 O ATOM 1018 CB THR A 104 -21.574 39.950 -36.465 1.00 40.61 C ATOM 1019 OG1 THR A 104 -22.002 40.613 -35.274 1.00 48.89 O ATOM 1020 CG2 THR A 104 -21.494 38.470 -36.198 1.00 29.38 C ATOM 1021 HG1 THR A 104 -22.061 41.587 -35.443 1.00 0.00 H ATOM 1022 H THR A 104 -19.415 40.845 -34.865 1.00 0.00 H ATOM 1023 N LEU A 105 -20.552 42.142 -38.573 1.00 36.99 N ATOM 1024 CA LEU A 105 -20.768 43.458 -39.139 1.00 38.69 C ATOM 1025 C LEU A 105 -22.091 43.395 -39.900 1.00 48.88 C ATOM 1026 O LEU A 105 -22.167 42.776 -40.968 1.00 50.70 O ATOM 1027 CB LEU A 105 -19.601 43.836 -40.068 1.00 36.27 C ATOM 1028 CG LEU A 105 -18.222 43.938 -39.389 1.00 36.02 C ATOM 1029 CD1 LEU A 105 -17.672 42.583 -39.061 1.00 32.73 C ATOM 1030 CD2 LEU A 105 -17.213 44.709 -40.236 1.00 43.00 C ATOM 1031 H LEU A 105 -20.552 41.320 -39.210 1.00 0.00 H ATOM 1032 N VAL A 106 -23.137 43.998 -39.332 1.00 41.46 N ATOM 1033 CA VAL A 106 -24.465 43.945 -39.935 1.00 39.46 C ATOM 1034 C VAL A 106 -24.862 45.297 -40.515 1.00 45.58 C ATOM 1035 O VAL A 106 -24.740 46.339 -39.861 1.00 49.36 O ATOM 1036 CB VAL A 106 -25.562 43.510 -38.937 1.00 33.17 C ATOM 1037 CG1 VAL A 106 -26.896 43.408 -39.659 1.00 34.11 C ATOM 1038 CG2 VAL A 106 -25.202 42.187 -38.244 1.00 31.83 C ATOM 1039 H VAL A 106 -23.003 44.517 -38.441 1.00 0.00 H ATOM 1040 N ARG A 107 -25.344 45.270 -41.749 1.00 43.19 N ATOM 1041 CA ARG A 107 -25.785 46.472 -42.417 1.00 43.98 C ATOM 1042 C ARG A 107 -27.229 46.280 -42.815 1.00 53.24 C ATOM 1043 O ARG A 107 -27.591 45.243 -43.367 1.00 54.70 O ATOM 1044 CB ARG A 107 -24.926 46.730 -43.647 1.00 44.31 C ATOM 1045 CG ARG A 107 -23.464 46.980 -43.321 1.00 48.01 C ATOM 1046 CD ARG A 107 -22.652 47.119 -44.600 1.00 49.31 C ATOM 1047 NE ARG A 107 -21.308 47.628 -44.356 1.00 51.93 N ATOM 1048 CZ ARG A 107 -20.246 46.864 -44.123 1.00 53.77 C ATOM 1049 NH1 ARG A 107 -20.361 45.545 -44.108 1.00 49.16 N ATOM 1050 NH2 ARG A 107 -19.064 47.423 -43.917 1.00 54.03 N ATOM 1051 HE ARG A 107 -21.171 48.659 -44.365 1.00 0.00 H ATOM 1052 HH12 ARG A 107 -19.526 44.952 -43.925 1.00 0.00 H ATOM 1053 HH11 ARG A 107 -21.286 45.102 -44.279 1.00 0.00 H ATOM 1054 HH22 ARG A 107 -18.232 46.827 -43.734 1.00 0.00 H ATOM 1055 HH21 ARG A 107 -18.968 48.458 -43.938 1.00 0.00 H ATOM 1056 H ARG A 107 -25.406 44.360 -42.249 1.00 0.00 H ATOM 1057 N GLU A 108 -28.059 47.270 -42.503 1.00 53.55 N ATOM 1058 CA GLU A 108 -29.437 47.270 -42.961 1.00 57.62 C ATOM 1059 C GLU A 108 -29.858 48.679 -43.310 1.00 57.98 C ATOM 1060 O GLU A 108 -29.225 49.652 -42.896 1.00 59.03 O ATOM 1061 CB GLU A 108 -30.389 46.666 -41.923 1.00 64.40 C ATOM 1062 CG GLU A 108 -30.505 47.438 -40.633 1.00 72.44 C ATOM 1063 CD GLU A 108 -31.320 46.689 -39.597 1.00 77.30 C ATOM 1064 OE1 GLU A 108 -32.324 46.048 -39.976 1.00 74.50 O ATOM 1065 OE2 GLU A 108 -30.945 46.733 -38.406 1.00 80.83 O ATOM 1066 H GLU A 108 -27.715 48.060 -41.920 1.00 0.00 H ATOM 1067 N LEU A 109 -30.919 48.781 -44.096 1.00 54.84 N ATOM 1068 CA LEU A 109 -31.421 50.068 -44.506 1.00 51.09 C ATOM 1069 C LEU A 109 -32.570 50.462 -43.602 1.00 57.89 C ATOM 1070 O LEU A 109 -33.512 49.694 -43.404 1.00 64.24 O ATOM 1071 CB LEU A 109 -31.858 50.003 -45.959 1.00 50.92 C ATOM 1072 CG LEU A 109 -30.656 49.671 -46.840 1.00 55.16 C ATOM 1073 CD1 LEU A 109 -31.045 49.636 -48.291 1.00 55.07 C ATOM 1074 CD2 LEU A 109 -29.564 50.693 -46.617 1.00 56.08 C ATOM 1075 H LEU A 109 -31.398 47.918 -44.423 1.00 0.00 H ATOM 1076 N ILE A 110 -32.475 51.652 -43.026 1.00 54.93 N ATOM 1077 CA ILE A 110 -33.556 52.187 -42.218 1.00 58.25 C ATOM 1078 C ILE A 110 -33.763 53.674 -42.508 1.00 63.45 C ATOM 1079 O ILE A 110 -32.913 54.503 -42.185 1.00 60.84 O ATOM 1080 CB ILE A 110 -33.296 51.982 -40.724 1.00 51.84 C ATOM 1081 CG1 ILE A 110 -33.159 50.502 -40.401 1.00 49.18 C ATOM 1082 CG2 ILE A 110 -34.430 52.556 -39.921 1.00 55.19 C ATOM 1083 CD1 ILE A 110 -32.890 50.241 -38.933 1.00 47.12 C ATOM 1084 H ILE A 110 -31.609 52.213 -43.155 1.00 0.00 H ATOM 1085 N ASP A 111 -34.891 53.997 -43.136 1.00 68.73 N ATOM 1086 CA ASP A 111 -35.220 55.377 -43.470 1.00 73.41 C ATOM 1087 C ASP A 111 -34.243 55.977 -44.471 1.00 73.19 C ATOM 1088 O ASP A 111 -33.910 57.165 -44.390 1.00 69.92 O ATOM 1089 CB ASP A 111 -35.267 56.241 -42.210 1.00 84.55 C ATOM 1090 CG ASP A 111 -36.431 55.890 -41.315 1.00 96.04 C ATOM 1091 OD1 ASP A 111 -37.550 55.724 -41.847 1.00102.19 O ATOM 1092 OD2 ASP A 111 -36.229 55.767 -40.088 1.00 96.96 O ATOM 1093 H ASP A 111 -35.558 53.242 -43.396 1.00 0.00 H ATOM 1094 N GLY A 112 -33.792 55.157 -45.418 1.00 69.85 N ATOM 1095 CA GLY A 112 -32.892 55.621 -46.460 1.00 68.33 C ATOM 1096 C GLY A 112 -31.459 55.763 -45.985 1.00 67.89 C ATOM 1097 O GLY A 112 -30.584 56.169 -46.749 1.00 68.49 O ATOM 1098 H GLY A 112 -34.091 54.161 -45.412 1.00 0.00 H ATOM 1099 N LYS A 113 -31.222 55.430 -44.719 1.00 64.53 N ATOM 1100 CA LYS A 113 -29.878 55.474 -44.161 1.00 65.77 C ATOM 1101 C LYS A 113 -29.314 54.069 -43.980 1.00 62.70 C ATOM 1102 O LYS A 113 -30.045 53.135 -43.642 1.00 62.82 O ATOM 1103 CB LYS A 113 -29.880 56.212 -42.822 1.00 70.35 C ATOM 1104 CG LYS A 113 -30.412 57.627 -42.917 1.00 76.47 C ATOM 1105 CD LYS A 113 -30.292 58.368 -41.604 1.00 78.12 C ATOM 1106 CE LYS A 113 -30.891 59.766 -41.741 1.00 88.38 C ATOM 1107 NZ LYS A 113 -30.666 60.612 -40.533 1.00 92.18 N ATOM 1108 HZ1 LYS A 113 -31.104 60.158 -39.706 1.00 0.00 H ATOM 1109 HZ2 LYS A 113 -29.644 60.718 -40.371 1.00 0.00 H ATOM 1110 HZ3 LYS A 113 -31.093 61.548 -40.682 1.00 0.00 H ATOM 1111 H LYS A 113 -32.014 55.132 -44.115 1.00 0.00 H ATOM 1112 N LEU A 114 -28.013 53.922 -44.212 1.00 56.62 N ATOM 1113 CA LEU A 114 -27.338 52.651 -43.973 1.00 51.17 C ATOM 1114 C LEU A 114 -26.803 52.601 -42.547 1.00 48.68 C ATOM 1115 O LEU A 114 -25.994 53.434 -42.140 1.00 55.30 O ATOM 1116 CB LEU A 114 -26.212 52.416 -44.989 1.00 53.77 C ATOM 1117 CG LEU A 114 -25.617 51.004 -44.986 1.00 58.77 C ATOM 1118 CD1 LEU A 114 -24.974 50.670 -46.311 1.00 63.82 C ATOM 1119 CD2 LEU A 114 -24.615 50.846 -43.870 1.00 57.27 C ATOM 1120 H LEU A 114 -27.465 54.730 -44.571 1.00 0.00 H ATOM 1121 N ILE A 115 -27.265 51.622 -41.783 1.00 40.79 N ATOM 1122 CA ILE A 115 -26.830 51.482 -40.403 1.00 42.57 C ATOM 1123 C ILE A 115 -25.971 50.239 -40.259 1.00 45.66 C ATOM 1124 O ILE A 115 -26.417 49.122 -40.523 1.00 43.76 O ATOM 1125 CB ILE A 115 -28.026 51.428 -39.451 1.00 49.89 C ATOM 1126 CG1 ILE A 115 -28.825 52.732 -39.559 1.00 61.01 C ATOM 1127 CG2 ILE A 115 -27.560 51.187 -38.023 1.00 48.34 C ATOM 1128 CD1 ILE A 115 -30.285 52.584 -39.194 1.00 67.13 C ATOM 1129 H ILE A 115 -27.949 50.944 -42.176 1.00 0.00 H ATOM 1130 N LEU A 116 -24.719 50.453 -39.876 1.00 51.41 N ATOM 1131 CA LEU A 116 -23.760 49.373 -39.700 1.00 46.89 C ATOM 1132 C LEU A 116 -23.628 49.112 -38.209 1.00 49.68 C ATOM 1133 O LEU A 116 -23.435 50.043 -37.429 1.00 50.57 O ATOM 1134 CB LEU A 116 -22.409 49.762 -40.308 1.00 39.85 C ATOM 1135 CG LEU A 116 -21.171 48.947 -39.938 1.00 43.05 C ATOM 1136 CD1 LEU A 116 -21.364 47.462 -40.227 1.00 36.47 C ATOM 1137 CD2 LEU A 116 -19.976 49.478 -40.707 1.00 42.97 C ATOM 1138 H LEU A 116 -24.411 51.430 -39.695 1.00 0.00 H ATOM 1139 N THR A 117 -23.773 47.852 -37.808 1.00 43.44 N ATOM 1140 CA THR A 117 -23.651 47.493 -36.407 1.00 38.99 C ATOM 1141 C THR A 117 -22.512 46.505 -36.260 1.00 44.01 C ATOM 1142 O THR A 117 -22.553 45.398 -36.825 1.00 41.92 O ATOM 1143 CB THR A 117 -24.932 46.842 -35.877 1.00 41.20 C ATOM 1144 OG1 THR A 117 -26.038 47.723 -36.087 1.00 45.75 O ATOM 1145 CG2 THR A 117 -24.800 46.513 -34.381 1.00 35.63 C ATOM 1146 HG1 THR A 117 -26.136 47.903 -37.056 1.00 0.00 H ATOM 1147 H THR A 117 -23.977 47.112 -38.510 1.00 0.00 H ATOM 1148 N LEU A 118 -21.498 46.908 -35.500 1.00 44.87 N ATOM 1149 CA LEU A 118 -20.318 46.082 -35.292 1.00 39.83 C ATOM 1150 C LEU A 118 -20.378 45.517 -33.893 1.00 40.53 C ATOM 1151 O LEU A 118 -20.473 46.270 -32.927 1.00 34.86 O ATOM 1152 CB LEU A 118 -19.053 46.912 -35.464 1.00 34.59 C ATOM 1153 CG LEU A 118 -18.954 47.655 -36.798 1.00 38.36 C ATOM 1154 CD1 LEU A 118 -18.145 48.927 -36.662 1.00 41.28 C ATOM 1155 CD2 LEU A 118 -18.350 46.758 -37.854 1.00 37.33 C ATOM 1156 H LEU A 118 -21.550 47.840 -35.041 1.00 0.00 H ATOM 1157 N THR A 119 -20.330 44.191 -33.784 1.00 35.05 N ATOM 1158 CA THR A 119 -20.416 43.563 -32.489 1.00 33.48 C ATOM 1159 C THR A 119 -19.222 42.665 -32.232 1.00 39.08 C ATOM 1160 O THR A 119 -18.817 41.887 -33.092 1.00 38.07 O ATOM 1161 CB THR A 119 -21.714 42.755 -32.354 1.00 40.15 C ATOM 1162 OG1 THR A 119 -22.833 43.610 -32.617 1.00 45.31 O ATOM 1163 CG2 THR A 119 -21.855 42.181 -30.950 1.00 35.86 C ATOM 1164 HG1 THR A 119 -23.671 43.091 -32.530 1.00 0.00 H ATOM 1165 H THR A 119 -20.230 43.605 -34.637 1.00 0.00 H ATOM 1166 N HIS A 120 -18.649 42.801 -31.040 1.00 37.91 N ATOM 1167 CA HIS A 120 -17.650 41.869 -30.552 1.00 33.24 C ATOM 1168 C HIS A 120 -17.801 41.721 -29.045 1.00 37.90 C ATOM 1169 O HIS A 120 -17.440 42.622 -28.279 1.00 41.65 O ATOM 1170 CB HIS A 120 -16.220 42.319 -30.890 1.00 35.09 C ATOM 1171 CG HIS A 120 -15.172 41.460 -30.256 1.00 35.74 C ATOM 1172 ND1 HIS A 120 -14.403 41.886 -29.196 1.00 43.57 N ATOM 1173 CD2 HIS A 120 -14.810 40.178 -30.493 1.00 28.51 C ATOM 1174 CE1 HIS A 120 -13.596 40.908 -28.820 1.00 42.74 C ATOM 1175 NE2 HIS A 120 -13.823 39.862 -29.592 1.00 37.24 N ATOM 1176 H HIS A 120 -18.926 43.602 -30.437 1.00 0.00 H ATOM 1177 N GLY A 121 -18.314 40.572 -28.620 1.00 37.43 N ATOM 1178 CA GLY A 121 -18.636 40.371 -27.220 1.00 36.73 C ATOM 1179 C GLY A 121 -19.640 41.425 -26.774 1.00 43.18 C ATOM 1180 O GLY A 121 -20.667 41.643 -27.426 1.00 38.20 O ATOM 1181 H GLY A 121 -18.487 39.805 -29.301 1.00 0.00 H ATOM 1182 N THR A 122 -19.340 42.081 -25.658 1.00 44.13 N ATOM 1183 CA THR A 122 -20.221 43.094 -25.104 1.00 42.83 C ATOM 1184 C THR A 122 -20.105 44.445 -25.820 1.00 44.17 C ATOM 1185 O THR A 122 -20.899 45.339 -25.556 1.00 47.75 O ATOM 1186 CB THR A 122 -19.968 43.293 -23.598 1.00 41.00 C ATOM 1187 OG1 THR A 122 -18.619 43.735 -23.384 1.00 46.96 O ATOM 1188 CG2 THR A 122 -20.193 41.989 -22.850 1.00 40.83 C ATOM 1189 HG1 THR A 122 -18.464 43.861 -22.414 1.00 0.00 H ATOM 1190 H THR A 122 -18.449 41.863 -25.167 1.00 0.00 H ATOM 1191 N ALA A 123 -19.129 44.585 -26.722 1.00 40.53 N ATOM 1192 CA ALA A 123 -18.918 45.842 -27.459 1.00 34.25 C ATOM 1193 C ALA A 123 -19.794 45.936 -28.691 1.00 32.28 C ATOM 1194 O ALA A 123 -19.587 45.220 -29.674 1.00 38.07 O ATOM 1195 CB ALA A 123 -17.439 46.004 -27.855 1.00 32.93 C ATOM 1196 H ALA A 123 -18.498 43.780 -26.909 1.00 0.00 H ATOM 1197 N VAL A 124 -20.769 46.832 -28.641 1.00 33.41 N ATOM 1198 CA VAL A 124 -21.722 46.992 -29.738 1.00 34.61 C ATOM 1199 C VAL A 124 -21.645 48.404 -30.292 1.00 42.51 C ATOM 1200 O VAL A 124 -21.928 49.372 -29.592 1.00 41.20 O ATOM 1201 CB VAL A 124 -23.174 46.732 -29.266 1.00 35.33 C ATOM 1202 CG1 VAL A 124 -24.159 47.069 -30.363 1.00 28.74 C ATOM 1203 CG2 VAL A 124 -23.345 45.294 -28.847 1.00 34.94 C ATOM 1204 H VAL A 124 -20.859 47.437 -27.800 1.00 0.00 H ATOM 1205 N CYS A 125 -21.249 48.519 -31.553 1.00 47.54 N ATOM 1206 CA CYS A 125 -21.064 49.814 -32.173 1.00 40.42 C ATOM 1207 C CYS A 125 -22.098 50.061 -33.264 1.00 41.69 C ATOM 1208 O CYS A 125 -22.385 49.182 -34.075 1.00 49.43 O ATOM 1209 CB CYS A 125 -19.660 49.926 -32.769 1.00 36.13 C ATOM 1210 SG CYS A 125 -19.444 51.396 -33.843 1.00 47.38 S ATOM 1211 H CYS A 125 -21.067 47.659 -32.109 1.00 0.00 H ATOM 1212 N THR A 126 -22.654 51.266 -33.287 1.00 34.56 N ATOM 1213 CA THR A 126 -23.606 51.626 -34.328 1.00 40.13 C ATOM 1214 C THR A 126 -23.031 52.743 -35.163 1.00 43.96 C ATOM 1215 O THR A 126 -22.648 53.780 -34.640 1.00 51.42 O ATOM 1216 CB THR A 126 -24.975 52.044 -33.748 1.00 42.51 C ATOM 1217 OG1 THR A 126 -25.553 50.932 -33.056 1.00 46.07 O ATOM 1218 CG2 THR A 126 -25.914 52.458 -34.855 1.00 34.71 C ATOM 1219 HG1 THR A 126 -25.675 50.179 -33.687 1.00 0.00 H ATOM 1220 H THR A 126 -22.407 51.961 -32.553 1.00 0.00 H ATOM 1221 N ARG A 127 -22.940 52.515 -36.466 1.00 50.09 N ATOM 1222 CA ARG A 127 -22.414 53.525 -37.376 1.00 47.45 C ATOM 1223 C ARG A 127 -23.410 53.864 -38.473 1.00 48.95 C ATOM 1224 O ARG A 127 -23.901 52.976 -39.173 1.00 53.53 O ATOM 1225 CB ARG A 127 -21.038 53.110 -37.889 1.00 38.20 C ATOM 1226 CG ARG A 127 -20.010 53.536 -36.846 1.00 50.05 C ATOM 1227 CD ARG A 127 -18.657 52.971 -37.019 1.00 46.06 C ATOM 1228 NE ARG A 127 -17.873 53.620 -38.060 1.00 46.55 N ATOM 1229 CZ ARG A 127 -17.124 54.712 -37.900 1.00 48.03 C ATOM 1230 NH1 ARG A 127 -17.071 55.364 -36.741 1.00 37.24 N ATOM 1231 NH2 ARG A 127 -16.434 55.170 -38.931 1.00 56.02 N ATOM 1232 HE ARG A 127 -17.899 53.196 -39.009 1.00 0.00 H ATOM 1233 HH12 ARG A 127 -16.477 56.213 -36.648 1.00 0.00 H ATOM 1234 HH11 ARG A 127 -17.624 55.025 -35.928 1.00 0.00 H ATOM 1235 HH22 ARG A 127 -15.844 56.020 -38.826 1.00 0.00 H ATOM 1236 HH21 ARG A 127 -16.481 54.680 -39.847 1.00 0.00 H ATOM 1237 H ARG A 127 -23.250 51.598 -36.846 1.00 0.00 H ATOM 1238 N THR A 128 -23.737 55.148 -38.584 1.00 45.18 N ATOM 1239 CA THR A 128 -24.827 55.602 -39.455 1.00 47.78 C ATOM 1240 C THR A 128 -24.311 56.324 -40.695 1.00 53.52 C ATOM 1241 O THR A 128 -23.508 57.249 -40.590 1.00 57.65 O ATOM 1242 CB THR A 128 -25.777 56.542 -38.690 1.00 51.25 C ATOM 1243 OG1 THR A 128 -26.200 55.913 -37.471 1.00 48.25 O ATOM 1244 CG2 THR A 128 -26.993 56.903 -39.540 1.00 55.78 C ATOM 1245 HG1 THR A 128 -26.810 56.520 -36.982 1.00 0.00 H ATOM 1246 H THR A 128 -23.203 55.853 -38.036 1.00 0.00 H ATOM 1247 N TYR A 129 -24.776 55.899 -41.867 1.00 52.43 N ATOM 1248 CA TYR A 129 -24.337 56.485 -43.129 1.00 51.67 C ATOM 1249 C TYR A 129 -25.512 57.086 -43.877 1.00 54.19 C ATOM 1250 O TYR A 129 -26.639 56.598 -43.767 1.00 53.39 O ATOM 1251 CB TYR A 129 -23.690 55.430 -44.032 1.00 49.74 C ATOM 1252 CG TYR A 129 -22.406 54.812 -43.519 1.00 46.40 C ATOM 1253 CD1 TYR A 129 -22.423 53.844 -42.514 1.00 45.36 C ATOM 1254 CD2 TYR A 129 -21.176 55.162 -44.072 1.00 49.98 C ATOM 1255 CE1 TYR A 129 -21.238 53.259 -42.051 1.00 45.06 C ATOM 1256 CE2 TYR A 129 -19.989 54.588 -43.618 1.00 50.89 C ATOM 1257 CZ TYR A 129 -20.027 53.635 -42.609 1.00 48.76 C ATOM 1258 OH TYR A 129 -18.851 53.067 -42.165 1.00 45.21 O ATOM 1259 HH TYR A 129 -19.051 52.413 -41.449 1.00 0.00 H ATOM 1260 H TYR A 129 -25.472 55.127 -41.884 1.00 0.00 H ATOM 1261 N GLU A 130 -25.238 58.143 -44.640 1.00 56.69 N ATOM 1262 CA GLU A 130 -26.220 58.752 -45.531 1.00 60.55 C ATOM 1263 C GLU A 130 -25.791 58.493 -46.963 1.00 57.67 C ATOM 1264 O GLU A 130 -24.597 58.517 -47.262 1.00 61.19 O ATOM 1265 CB GLU A 130 -26.299 60.260 -45.307 1.00 68.94 C ATOM 1266 CG GLU A 130 -27.193 60.688 -44.159 1.00 82.45 C ATOM 1267 CD GLU A 130 -27.170 62.196 -43.931 1.00 92.36 C ATOM 1268 OE1 GLU A 130 -26.706 62.932 -44.836 1.00 95.25 O ATOM 1269 OE2 GLU A 130 -27.607 62.642 -42.844 1.00 91.67 O ATOM 1270 H GLU A 130 -24.283 58.552 -44.599 1.00 0.00 H ATOM 1271 N LYS A 131 -26.753 58.259 -47.852 1.00 51.29 N ATOM 1272 CA LYS A 131 -26.414 57.981 -49.244 1.00 63.03 C ATOM 1273 C LYS A 131 -26.020 59.262 -49.972 1.00 70.08 C ATOM 1274 O LYS A 131 -26.649 60.301 -49.792 1.00 71.48 O ATOM 1275 CB LYS A 131 -27.568 57.282 -49.964 1.00 66.69 C ATOM 1276 CG LYS A 131 -27.149 56.633 -51.263 1.00 70.47 C ATOM 1277 CD LYS A 131 -28.269 55.796 -51.857 1.00 74.50 C ATOM 1278 CE LYS A 131 -27.833 55.162 -53.162 1.00 79.50 C ATOM 1279 NZ LYS A 131 -29.004 54.765 -53.992 1.00 84.91 N ATOM 1280 HZ1 LYS A 131 -29.582 54.078 -53.468 1.00 0.00 H ATOM 1281 HZ2 LYS A 131 -29.575 55.607 -54.208 1.00 0.00 H ATOM 1282 HZ3 LYS A 131 -28.670 54.335 -54.878 1.00 0.00 H ATOM 1283 H LYS A 131 -27.749 58.274 -47.554 1.00 0.00 H ATOM 1284 N GLU A 132 -24.970 59.194 -50.782 1.00 75.74 N ATOM 1285 CA GLU A 132 -24.508 60.378 -51.495 1.00 80.91 C ATOM 1286 C GLU A 132 -25.241 60.587 -52.817 1.00 91.60 C ATOM 1287 O GLU A 132 -25.660 61.702 -53.128 1.00 93.46 O ATOM 1288 CB GLU A 132 -22.998 60.333 -51.716 1.00 80.52 C ATOM 1289 CG GLU A 132 -22.193 60.537 -50.447 1.00 87.81 C ATOM 1290 CD GLU A 132 -20.806 61.080 -50.726 1.00 94.00 C ATOM 1291 OE1 GLU A 132 -20.432 61.145 -51.919 1.00 97.62 O ATOM 1292 OE2 GLU A 132 -20.099 61.447 -49.758 1.00 91.77 O ATOM 1293 H GLU A 132 -24.474 58.289 -50.909 1.00 0.00 H ATOM 1294 N ALA A 133 -25.393 59.513 -53.588 1.00 98.80 N ATOM 1295 CA ALA A 133 -26.066 59.577 -54.889 1.00106.88 C ATOM 1296 C ALA A 133 -25.931 60.943 -55.575 1.00105.89 C ATOM 1297 O ALA A 133 -24.855 61.317 -56.048 1.00100.98 O ATOM 1298 CB ALA A 133 -27.542 59.187 -54.750 1.00108.16 C ATOM 1299 H ALA A 133 -25.023 58.599 -53.257 1.00 0.00 H TER 1300 ALA A 133 HETATM 1301 O HOH 1 -17.180 52.335 -40.428 1.00 47.38 O HETATM 1302 O HOH 2 -9.222 56.606 -28.666 1.00 43.89 O HETATM 1303 O HOH 3 -15.340 30.420 -34.211 1.00 49.18 O HETATM 1304 O HOH 4 -15.090 32.010 -31.130 1.00 52.01 O HETATM 1305 O HOH 5 -25.125 43.210 -31.463 1.00 45.64 O HETATM 1306 O HOH 6 -27.221 49.047 -33.820 1.00 58.53 O HETATM 1307 O HOH 7 -12.819 48.587 -43.892 1.00 50.05 O HETATM 1308 O HOH 8 -15.424 44.354 -24.947 1.00 45.46 O HETATM 1309 O HOH 9 -10.083 40.437 -28.290 1.00 47.55 O HETATM 1310 O HOH 10 -14.406 56.891 -38.022 1.00 48.24 O HETATM 1311 O HOH 11 -14.067 48.195 -25.267 1.00 46.18 O HETATM 1312 O HOH 12 -23.153 43.236 -35.259 1.00 39.04 O HETATM 1313 O HOH 13 -19.115 49.151 -25.367 1.00 55.61 O HETATM 1314 O HOH 14 -16.994 34.915 -51.557 1.00 50.79 O HETATM 1315 O HOH 15 -18.078 43.502 -57.940 1.00 58.18 O HETATM 1316 O HOH 16 -12.546 37.850 -27.758 1.00 49.53 O HETATM 1317 O HOH 17 -22.403 43.716 -43.524 1.00 33.96 O HETATM 1318 O HOH 18 -14.080 52.523 -22.556 1.00 44.77 O HETATM 1319 O HOH 19 -14.369 44.284 -37.833 1.00 47.62 O HETATM 1320 O HOH 20 -27.342 47.496 -38.519 1.00 45.63 O HETATM 1321 O HOH 21 -10.143 34.117 -50.084 1.00 46.21 O HETATM 1322 O HOH 22 -13.246 31.906 -34.550 1.00 39.37 O HETATM 1323 O HOH 23 -6.786 60.422 -40.508 1.00 53.53 O HETATM 1324 O HOH 24 -19.361 35.680 -48.457 1.00 38.75 O HETATM 1325 O HOH 25 -29.461 52.020 -53.378 1.00 66.72 O HETATM 1326 O HOH 26 -22.836 35.760 -42.461 1.00 38.25 O HETATM 1327 O HOH 27 -18.719 38.581 -30.816 1.00 47.25 O HETATM 1328 O HOH 28 -11.781 46.141 -42.646 1.00 51.36 O HETATM 1329 O HOH 29 -17.524 44.784 -43.913 1.00 45.76 O HETATM 1330 O HOH 30 -24.622 51.051 -30.264 1.00 55.20 O HETATM 1331 O HOH 31 -23.543 42.285 -26.929 1.00 42.26 O HETATM 1332 O HOH 32 -21.597 48.216 -26.039 1.00 45.59 O HETATM 1333 O HOH 33 -6.710 32.415 -37.205 1.00 49.30 O HETATM 1334 O HOH 34 -1.910 54.195 -19.754 1.00 55.01 O HETATM 1335 O HOH 35 -16.703 54.336 -27.648 1.00 40.71 O HETATM 1336 O HOH 36 -10.781 31.234 -35.709 1.00 58.57 O HETATM 1337 O HOH 37 -8.610 61.537 -38.819 1.00 63.53 O HETATM 1338 O HOH 38 -12.307 45.668 -23.731 1.00 57.56 O HETATM 1339 O HOH 39 -27.712 47.610 -31.817 1.00 58.98 O HETATM 1340 C5 UNN A 40 -14.758 48.469 -40.670 1.00 0.03 C HETATM 1341 C1 UNN A 40 -14.287 49.774 -41.083 1.00 0.05 C HETATM 1342 C7 UNN A 40 -14.990 50.431 -42.198 1.00 0.07 C HETATM 1343 O10 UNN A 40 -14.753 50.302 -43.404 1.00 -0.56 O HETATM 1344 O13 UNN A 40 -16.036 51.255 -41.866 1.00 -0.56 O HETATM 1345 C2 UNN A 40 -13.196 50.337 -40.469 1.00 0.02 C HETATM 1346 C3 UNN A 40 -12.563 49.620 -39.392 1.00 0.01 C HETATM 1347 C6 UNN A 40 -13.099 48.338 -39.039 1.00 0.04 C HETATM 1348 N4 UNN A 40 -14.185 47.783 -39.685 1.00 -0.30 N HETATM 1349 C11 UNN A 40 -12.481 47.598 -37.982 1.00 -0.04 C HETATM 1350 C14 UNN A 40 -11.388 48.109 -37.322 1.00 -0.04 C HETATM 1351 C12 UNN A 40 -10.860 49.379 -37.678 1.00 0.04 C HETATM 1352 C8 UNN A 40 -11.429 50.124 -38.692 1.00 -0.03 C HETATM 1353 H1 UNN A 40 -11.014 51.090 -38.955 1.00 0.07 H HETATM 1354 CL1 UNN A 40 -9.504 49.944 -36.820 1.00 -0.07 CL HETATM 1355 H6 UNN A 40 -10.926 47.539 -36.524 1.00 0.07 H HETATM 1356 H5 UNN A 40 -12.877 46.629 -37.700 1.00 0.06 H HETATM 1357 C9 UNN A 40 -12.704 51.656 -40.870 1.00 -0.00 C HETATM 1358 C17 UNN A 40 -13.100 52.784 -40.121 1.00 -0.05 C HETATM 1359 C20 UNN A 40 -12.633 54.047 -40.486 1.00 -0.06 C HETATM 1360 C21 UNN A 40 -11.784 54.188 -41.596 1.00 -0.06 C HETATM 1361 C19 UNN A 40 -11.391 53.068 -42.340 1.00 -0.06 C HETATM 1362 C18 UNN A 40 -11.854 51.798 -41.983 1.00 -0.05 C HETATM 1363 H10 UNN A 40 -11.560 50.928 -42.560 1.00 0.07 H HETATM 1364 H11 UNN A 40 -10.729 53.186 -43.191 1.00 0.06 H HETATM 1365 H4 UNN A 40 -11.430 55.172 -41.880 1.00 0.06 H HETATM 1366 H3 UNN A 40 -12.925 54.919 -39.913 1.00 0.06 H HETATM 1367 H2 UNN A 40 -13.761 52.670 -39.270 1.00 0.07 H HETATM 1368 C16 UNN A 40 -15.948 47.915 -41.400 1.00 -0.01 C HETATM 1369 H7 UNN A 40 -16.201 46.925 -40.991 1.00 0.04 H HETATM 1370 H8 UNN A 40 -15.710 47.820 -42.470 1.00 0.04 H HETATM 1371 H9 UNN A 40 -16.804 48.594 -41.273 1.00 0.04 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1340 1341 1348 1368 CONECT 1341 1340 1342 1345 CONECT 1342 1341 1343 1344 CONECT 1343 1342 CONECT 1344 1342 CONECT 1345 1341 1346 1357 CONECT 1346 1345 1347 1352 CONECT 1347 1346 1348 1349 CONECT 1348 1340 1347 CONECT 1349 1347 1350 1356 CONECT 1350 1349 1351 1355 CONECT 1351 1350 1352 1354 CONECT 1352 1346 1351 1353 CONECT 1353 1352 CONECT 1354 1351 CONECT 1355 1350 CONECT 1356 1349 CONECT 1357 1345 1358 1362 CONECT 1358 1357 1359 1367 CONECT 1359 1358 1360 1366 CONECT 1360 1359 1361 1365 CONECT 1361 1360 1362 1364 CONECT 1362 1357 1361 1363 CONECT 1363 1362 CONECT 1364 1361 CONECT 1365 1360 CONECT 1366 1359 CONECT 1367 1358 CONECT 1368 1340 1369 1370 1371 CONECT 1369 1368 CONECT 1370 1368 CONECT 1371 1368 MASTER 0 0 0 0 0 0 0 0 1370 1 36 11 END
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Structure:
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Related entries of code: 5hz9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1hmr
RCSB PDB
PDBbind
132aa, >1HMR_1|Chain... at 100%
1hms
RCSB PDB
PDBbind
132aa, >1HMS_1|Chain... at 100%
1hmt
RCSB PDB
PDBbind
132aa, >1HMT_1|Chain... at 100%
2hmb
RCSB PDB
PDBbind
132aa, >2HMB_1|Chain... at 100%
3wvm
RCSB PDB
PDBbind
133aa, >3WVM_1|Chain... at 100%
4tjz
RCSB PDB
PDBbind
133aa, >4TJZ_1|Chain... at 100%
4tkb
RCSB PDB
PDBbind
133aa, >4TKB_1|Chain... at 100%
4tkh
RCSB PDB
PDBbind
133aa, >4TKH_1|Chain... at 100%
4tkj
RCSB PDB
PDBbind
133aa, >4TKJ_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5edb
RCSB PDB
PDBbind
5M8
Entry Information
PDB ID
5hz9
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human fatty acid binding proteins 3 (FABP3)
Ligand Name
5M8
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Ki=0.093uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Bioorg. Med. Chem. Lett. Vol. 26: pp. 5092-5097
Ligand Properties
Formula
C
1
7
H
1
2
ClNO
2
Molecular Weight
297.736
Exact Mass
297.056
No. of atoms
33
No. of bonds
35
Polar Surface Area
50.19
LOGP Value
5.45 (
Computed with XLOGP3
)
4.56 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
Clc1ccc2c(c1)c(c1ccccc1)c(c(n2)C)C(=O)O
InChI String
InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)
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):
P05413
Entrez Gene ID
NCBI Entrez Gene ID:
2170
ASD
Information of known allosteric effects of PDB entries
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