Browse entries in the PDBbind-CN Database
HEADER 5KAX_COMPLEX COMPND 5KAX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 158 MET ASP PHE GLU CYS GLN PHE VAL CYS GLU LEU LYS GLU SEQRES 2 A 158 LEU ALA PRO VAL PRO ALA LEU LEU ILE ARG THR GLN THR SEQRES 3 A 158 THR MET SER GLU LEU GLY SER LEU PHE GLU ALA GLY TYR SEQRES 4 A 158 HIS ASP ILE LEU GLN LEU LEU ALA GLY GLN GLY LYS SER SEQRES 5 A 158 PRO SER GLY PRO PRO PHE ALA ARG TYR PHE GLY MET SER SEQRES 6 A 158 ALA GLY THR PHE GLU VAL GLU PHE GLY PHE PRO VAL GLU SEQRES 7 A 158 GLY GLY VAL GLU GLY SER GLY ARG VAL VAL THR GLY LEU SEQRES 8 A 158 THR PRO SER GLY LYS ALA ALA SER SER LEU TYR ILE GLY SEQRES 9 A 158 PRO TYR GLY GLU ILE GLU ALA VAL TYR ASP ALA LEU MET SEQRES 10 A 158 LYS TRP VAL ASP ASP ASN GLY PHE ASP LEU SER GLY GLU SEQRES 11 A 158 ALA TYR GLU ILE TYR LEU ASP ASN PRO ALA GLU THR ALA SEQRES 12 A 158 PRO ASP GLN LEU ARG THR ARG VAL SER LEU MET LEU HIS SEQRES 13 A 158 GLU SER HET RHQ A 261 65 SSBOND 1 CYS A 5 CYS A 9 ATOM 1 N MET A 1 -19.324 28.179 -32.502 1.00 60.13 N ATOM 2 CA MET A 1 -18.668 27.234 -31.549 1.00 55.95 C ATOM 3 C MET A 1 -18.915 27.723 -30.127 1.00 55.58 C ATOM 4 O MET A 1 -17.979 27.887 -29.334 1.00 68.24 O ATOM 5 CB MET A 1 -17.167 27.113 -31.838 1.00 51.49 C ATOM 6 HN3 MET A 1 -18.920 29.129 -32.380 1.00 0.00 H ATOM 7 HN2 MET A 1 -20.346 28.209 -32.311 1.00 0.00 H ATOM 8 HN1 MET A 1 -19.162 27.855 -33.477 1.00 0.00 H ATOM 9 N ASP A 2 -20.191 27.977 -29.828 1.00110.44 N ATOM 10 CA ASP A 2 -20.635 28.366 -28.487 1.00 92.29 C ATOM 11 C ASP A 2 -20.998 27.127 -27.658 1.00 93.24 C ATOM 12 O ASP A 2 -21.683 26.223 -28.152 1.00105.42 O ATOM 13 CB ASP A 2 -21.834 29.316 -28.585 1.00 79.40 C ATOM 14 H ASP A 2 -20.903 27.895 -30.582 1.00 0.00 H ATOM 15 N PHE A 3 -20.534 27.087 -26.407 1.00 58.78 N ATOM 16 CA PHE A 3 -20.762 25.943 -25.514 1.00 43.75 C ATOM 17 C PHE A 3 -22.241 25.731 -25.436 1.00 49.78 C ATOM 18 O PHE A 3 -23.009 26.685 -25.563 1.00 59.13 O ATOM 19 CB PHE A 3 -20.179 26.211 -24.125 1.00 42.58 C ATOM 20 CG PHE A 3 -20.136 25.010 -23.203 1.00 47.65 C ATOM 21 CD1 PHE A 3 -19.144 24.057 -23.330 1.00 48.02 C ATOM 22 CD2 PHE A 3 -21.045 24.878 -22.158 1.00 43.51 C ATOM 23 CE1 PHE A 3 -19.077 22.973 -22.453 1.00 48.85 C ATOM 24 CE2 PHE A 3 -20.984 23.797 -21.289 1.00 39.99 C ATOM 25 CZ PHE A 3 -20.000 22.846 -21.439 1.00 44.14 C ATOM 26 H PHE A 3 -19.989 27.898 -26.050 1.00 0.00 H ATOM 27 N GLU A 4 -22.652 24.490 -25.240 1.00 57.33 N ATOM 28 CA GLU A 4 -24.055 24.248 -25.052 1.00 58.61 C ATOM 29 C GLU A 4 -24.351 23.450 -23.801 1.00 52.78 C ATOM 30 O GLU A 4 -23.740 22.415 -23.518 1.00 46.34 O ATOM 31 CB GLU A 4 -24.628 23.560 -26.272 1.00 63.68 C ATOM 32 CG GLU A 4 -26.031 24.059 -26.584 1.00 67.00 C ATOM 33 CD GLU A 4 -26.361 24.032 -28.057 1.00 79.71 C ATOM 34 OE1 GLU A 4 -25.820 23.154 -28.762 1.00 88.80 O ATOM 35 OE2 GLU A 4 -27.165 24.885 -28.504 1.00 79.48 O ATOM 36 H GLU A 4 -21.972 23.703 -25.222 1.00 0.00 H ATOM 37 N CYS A 5 -25.320 23.982 -23.071 1.00 34.95 N ATOM 38 CA CYS A 5 -25.722 23.466 -21.782 1.00 36.33 C ATOM 39 C CYS A 5 -26.915 22.542 -21.913 1.00 34.04 C ATOM 40 O CYS A 5 -27.466 22.076 -20.932 1.00 33.58 O ATOM 41 CB CYS A 5 -26.042 24.638 -20.841 1.00 34.02 C ATOM 42 SG CYS A 5 -24.656 25.283 -19.941 1.00 34.11 S ATOM 43 H CYS A 5 -25.818 24.815 -23.445 1.00 0.00 H ATOM 44 N GLN A 6 -27.294 22.295 -23.153 1.00 40.73 N ATOM 45 CA GLN A 6 -28.449 21.476 -23.496 1.00 40.37 C ATOM 46 C GLN A 6 -28.556 20.179 -22.725 1.00 34.87 C ATOM 47 O GLN A 6 -29.636 19.806 -22.296 1.00 34.52 O ATOM 48 CB GLN A 6 -28.390 21.152 -24.977 1.00 35.73 C ATOM 49 CG GLN A 6 -29.710 21.212 -25.714 1.00 37.69 C ATOM 50 CD GLN A 6 -29.504 21.115 -27.210 1.00 41.91 C ATOM 51 OE1 GLN A 6 -28.371 21.087 -27.682 1.00 47.39 O ATOM 52 NE2 GLN A 6 -30.593 21.057 -27.963 1.00 52.99 N ATOM 53 HE22 GLN A 6 -31.534 21.084 -27.520 1.00 0.00 H ATOM 54 HE21 GLN A 6 -30.507 20.985 -28.997 1.00 0.00 H ATOM 55 H GLN A 6 -26.737 22.708 -23.928 1.00 0.00 H ATOM 56 N PHE A 7 -27.428 19.495 -22.571 1.00 34.09 N ATOM 57 CA PHE A 7 -27.409 18.157 -21.993 1.00 33.94 C ATOM 58 C PHE A 7 -26.438 18.017 -20.841 1.00 33.80 C ATOM 59 O PHE A 7 -26.642 17.176 -19.982 1.00 33.54 O ATOM 60 CB PHE A 7 -27.043 17.097 -23.043 1.00 34.41 C ATOM 61 CG PHE A 7 -27.897 17.122 -24.266 1.00 34.64 C ATOM 62 CD1 PHE A 7 -29.256 16.960 -24.176 1.00 34.32 C ATOM 63 CD2 PHE A 7 -27.329 17.281 -25.511 1.00 35.23 C ATOM 64 CE1 PHE A 7 -30.018 16.987 -25.284 1.00 34.56 C ATOM 65 CE2 PHE A 7 -28.091 17.300 -26.619 1.00 35.47 C ATOM 66 CZ PHE A 7 -29.429 17.149 -26.514 1.00 35.13 C ATOM 67 H PHE A 7 -26.531 19.927 -22.872 1.00 0.00 H ATOM 68 N VAL A 8 -25.379 18.819 -20.826 1.00 34.01 N ATOM 69 CA VAL A 8 -24.328 18.633 -19.826 1.00 33.96 C ATOM 70 C VAL A 8 -24.419 19.560 -18.596 1.00 33.55 C ATOM 71 O VAL A 8 -23.849 19.246 -17.553 1.00 33.41 O ATOM 72 CB VAL A 8 -22.892 18.770 -20.466 1.00 34.55 C ATOM 73 CG1 VAL A 8 -22.678 17.673 -21.459 1.00 44.55 C ATOM 74 CG2 VAL A 8 -22.634 20.133 -21.113 1.00 34.83 C ATOM 75 H VAL A 8 -25.297 19.582 -21.528 1.00 0.00 H ATOM 76 N CYS A 9 -25.127 20.678 -18.706 1.00 33.40 N ATOM 77 CA CYS A 9 -25.271 21.585 -17.580 1.00 33.06 C ATOM 78 C CYS A 9 -26.339 21.132 -16.619 1.00 32.59 C ATOM 79 O CYS A 9 -27.375 20.583 -16.995 1.00 32.48 O ATOM 80 CB CYS A 9 -25.568 22.985 -18.057 1.00 33.16 C ATOM 81 SG CYS A 9 -24.218 23.547 -19.038 1.00 34.40 S ATOM 82 H CYS A 9 -25.585 20.908 -19.611 1.00 0.00 H ATOM 83 N GLU A 10 -26.060 21.373 -15.355 1.00 32.60 N ATOM 84 CA GLU A 10 -26.891 20.866 -14.305 1.00 32.23 C ATOM 85 C GLU A 10 -26.796 21.723 -13.074 1.00 32.01 C ATOM 86 O GLU A 10 -25.911 22.544 -12.946 1.00 32.14 O ATOM 87 CB GLU A 10 -26.483 19.451 -13.957 1.00 34.13 C ATOM 88 CG GLU A 10 -25.053 19.360 -13.522 1.00 35.45 C ATOM 89 CD GLU A 10 -24.669 17.970 -13.093 1.00 37.35 C ATOM 90 OE1 GLU A 10 -25.547 17.087 -13.073 1.00 48.00 O ATOM 91 OE2 GLU A 10 -23.481 17.764 -12.775 1.00 43.03 O ATOM 92 H GLU A 10 -25.222 21.941 -15.115 1.00 0.00 H ATOM 93 N LEU A 11 -27.725 21.501 -12.162 1.00 31.47 N ATOM 94 CA LEU A 11 -27.700 22.153 -10.888 1.00 31.29 C ATOM 95 C LEU A 11 -27.240 21.133 -9.883 1.00 31.25 C ATOM 96 O LEU A 11 -27.794 20.052 -9.801 1.00 31.21 O ATOM 97 CB LEU A 11 -29.075 22.721 -10.554 1.00 31.08 C ATOM 98 CG LEU A 11 -29.203 23.597 -9.314 1.00 43.11 C ATOM 99 CD1 LEU A 11 -30.509 24.335 -9.383 1.00 53.93 C ATOM 100 CD2 LEU A 11 -29.116 22.774 -8.035 1.00 53.10 C ATOM 101 H LEU A 11 -28.495 20.835 -12.375 1.00 0.00 H ATOM 102 N LYS A 12 -26.178 21.483 -9.166 1.00 40.13 N ATOM 103 CA LYS A 12 -25.597 20.645 -8.124 1.00 38.12 C ATOM 104 C LYS A 12 -25.848 21.241 -6.744 1.00 32.83 C ATOM 105 O LYS A 12 -25.911 22.454 -6.575 1.00 32.77 O ATOM 106 CB LYS A 12 -24.087 20.473 -8.326 1.00 40.27 C ATOM 107 CG LYS A 12 -23.657 19.472 -9.380 1.00 42.33 C ATOM 108 CD LYS A 12 -22.158 19.190 -9.224 1.00 46.11 C ATOM 109 CE LYS A 12 -21.605 18.218 -10.259 1.00 61.06 C ATOM 110 NZ LYS A 12 -21.800 16.770 -9.921 1.00 63.27 N ATOM 111 HZ1 LYS A 12 -21.323 16.558 -9.022 1.00 0.00 H ATOM 112 HZ2 LYS A 12 -22.817 16.570 -9.831 1.00 0.00 H ATOM 113 HZ3 LYS A 12 -21.395 16.181 -10.677 1.00 0.00 H ATOM 114 H LYS A 12 -25.737 22.405 -9.358 1.00 0.00 H ATOM 115 N GLU A 13 -26.002 20.359 -5.768 1.00 45.15 N ATOM 116 CA GLU A 13 -26.060 20.741 -4.373 1.00 52.45 C ATOM 117 C GLU A 13 -24.714 20.366 -3.825 1.00 43.62 C ATOM 118 O GLU A 13 -24.336 19.204 -3.871 1.00 51.26 O ATOM 119 CB GLU A 13 -27.197 20.030 -3.633 1.00 62.79 C ATOM 120 CG GLU A 13 -27.126 20.116 -2.111 1.00 66.59 C ATOM 121 CD GLU A 13 -27.029 21.542 -1.613 1.00 65.54 C ATOM 122 OE1 GLU A 13 -27.602 22.434 -2.273 1.00 71.06 O ATOM 123 OE2 GLU A 13 -26.381 21.774 -0.565 1.00 63.15 O ATOM 124 H GLU A 13 -26.085 19.352 -6.014 1.00 0.00 H ATOM 125 N LEU A 14 -23.975 21.354 -3.339 1.00 38.98 N ATOM 126 CA LEU A 14 -22.594 21.149 -2.984 1.00 31.85 C ATOM 127 C LEU A 14 -22.453 20.833 -1.526 1.00 31.88 C ATOM 128 O LEU A 14 -22.949 21.563 -0.671 1.00 35.06 O ATOM 129 CB LEU A 14 -21.796 22.380 -3.328 1.00 31.93 C ATOM 130 CG LEU A 14 -21.772 22.755 -4.789 1.00 32.00 C ATOM 131 CD1 LEU A 14 -20.997 24.017 -4.889 1.00 32.15 C ATOM 132 CD2 LEU A 14 -21.140 21.663 -5.594 1.00 32.21 C ATOM 133 H LEU A 14 -24.400 22.294 -3.212 1.00 0.00 H ATOM 134 N ALA A 15 -21.766 19.740 -1.238 1.00 41.77 N ATOM 135 CA ALA A 15 -21.467 19.382 0.139 1.00 48.11 C ATOM 136 C ALA A 15 -20.162 20.038 0.582 1.00 47.41 C ATOM 137 O ALA A 15 -19.112 19.750 0.003 1.00 46.57 O ATOM 138 CB ALA A 15 -21.369 17.886 0.279 1.00 54.53 C ATOM 139 H ALA A 15 -21.434 19.126 -2.009 1.00 0.00 H ATOM 140 N PRO A 16 -20.219 20.929 1.592 1.00 40.42 N ATOM 141 CA PRO A 16 -18.992 21.581 2.061 1.00 32.07 C ATOM 142 C PRO A 16 -18.068 20.643 2.810 1.00 33.69 C ATOM 143 O PRO A 16 -18.496 19.943 3.712 1.00 33.90 O ATOM 144 CB PRO A 16 -19.506 22.684 2.982 1.00 31.98 C ATOM 145 CG PRO A 16 -20.869 22.321 3.318 1.00 36.43 C ATOM 146 CD PRO A 16 -21.419 21.521 2.203 1.00 37.63 C ATOM 147 N VAL A 17 -16.804 20.627 2.425 1.00 32.57 N ATOM 148 CA VAL A 17 -15.816 19.827 3.121 1.00 32.88 C ATOM 149 C VAL A 17 -14.615 20.660 3.538 1.00 33.09 C ATOM 150 O VAL A 17 -14.439 21.765 3.079 1.00 33.04 O ATOM 151 CB VAL A 17 -15.364 18.662 2.251 1.00 33.07 C ATOM 152 CG1 VAL A 17 -16.551 17.912 1.792 1.00 32.88 C ATOM 153 CG2 VAL A 17 -14.584 19.141 1.052 1.00 34.17 C ATOM 154 H VAL A 17 -16.513 21.199 1.607 1.00 0.00 H ATOM 155 N PRO A 18 -13.780 20.131 4.422 1.00 30.06 N ATOM 156 CA PRO A 18 -12.657 20.960 4.850 1.00 30.05 C ATOM 157 C PRO A 18 -11.663 21.236 3.733 1.00 24.98 C ATOM 158 O PRO A 18 -11.530 20.462 2.800 1.00 28.18 O ATOM 159 CB PRO A 18 -12.012 20.126 5.959 1.00 36.19 C ATOM 160 CG PRO A 18 -13.042 19.189 6.389 1.00 34.06 C ATOM 161 CD PRO A 18 -13.856 18.882 5.191 1.00 34.44 C ATOM 162 N ALA A 19 -10.959 22.345 3.854 1.00 28.91 N ATOM 163 CA ALA A 19 -10.031 22.783 2.838 1.00 31.87 C ATOM 164 C ALA A 19 -8.990 23.634 3.500 1.00 24.35 C ATOM 165 O ALA A 19 -9.186 24.084 4.612 1.00 26.27 O ATOM 166 CB ALA A 19 -10.741 23.558 1.749 1.00 36.21 C ATOM 167 H ALA A 19 -11.076 22.924 4.710 1.00 0.00 H ATOM 168 N LEU A 20 -7.863 23.794 2.822 1.00 24.30 N ATOM 169 CA LEU A 20 -6.865 24.781 3.181 1.00 25.38 C ATOM 170 C LEU A 20 -6.810 25.787 2.072 1.00 24.59 C ATOM 171 O LEU A 20 -6.723 25.418 0.928 1.00 27.98 O ATOM 172 CB LEU A 20 -5.495 24.156 3.372 1.00 35.35 C ATOM 173 CG LEU A 20 -5.092 23.536 4.702 1.00 32.21 C ATOM 174 CD1 LEU A 20 -3.622 23.135 4.535 1.00 40.77 C ATOM 175 CD2 LEU A 20 -5.310 24.496 5.880 1.00 24.78 C ATOM 176 H LEU A 20 -7.687 23.185 1.997 1.00 0.00 H ATOM 177 N LEU A 21 -6.845 27.057 2.428 1.00 28.21 N ATOM 178 CA LEU A 21 -7.061 28.116 1.464 1.00 26.93 C ATOM 179 C LEU A 21 -6.112 29.263 1.637 1.00 25.24 C ATOM 180 O LEU A 21 -5.695 29.559 2.736 1.00 27.10 O ATOM 181 CB LEU A 21 -8.461 28.689 1.589 1.00 28.19 C ATOM 182 CG LEU A 21 -9.642 27.811 1.293 1.00 39.82 C ATOM 183 CD1 LEU A 21 -10.644 28.038 2.407 1.00 48.67 C ATOM 184 CD2 LEU A 21 -10.195 28.163 -0.088 1.00 43.90 C ATOM 185 H LEU A 21 -6.714 27.305 3.430 1.00 0.00 H ATOM 186 N ILE A 22 -5.923 29.979 0.545 1.00 25.25 N ATOM 187 CA ILE A 22 -5.244 31.246 0.520 1.00 25.53 C ATOM 188 C ILE A 22 -6.357 32.223 0.074 1.00 25.43 C ATOM 189 O ILE A 22 -6.959 32.051 -0.969 1.00 25.45 O ATOM 190 CB ILE A 22 -4.037 31.299 -0.410 1.00 26.02 C ATOM 191 CG1 ILE A 22 -2.869 30.564 0.205 1.00 26.12 C ATOM 192 CG2 ILE A 22 -3.657 32.728 -0.687 1.00 28.33 C ATOM 193 CD1 ILE A 22 -1.846 30.121 -0.804 1.00 26.54 C ATOM 194 H ILE A 22 -6.288 29.603 -0.354 1.00 0.00 H ATOM 195 N ARG A 23 -6.628 33.215 0.908 1.00 25.35 N ATOM 196 CA ARG A 23 -7.657 34.198 0.665 1.00 25.27 C ATOM 197 C ARG A 23 -7.029 35.544 0.448 1.00 25.67 C ATOM 198 O ARG A 23 -6.584 36.179 1.372 1.00 33.09 O ATOM 199 CB ARG A 23 -8.640 34.238 1.831 1.00 27.00 C ATOM 200 CG ARG A 23 -8.935 32.886 2.412 1.00 27.98 C ATOM 201 CD ARG A 23 -9.986 32.937 3.490 1.00 29.45 C ATOM 202 NE ARG A 23 -11.236 33.368 2.922 1.00 26.36 N ATOM 203 CZ ARG A 23 -11.727 34.586 3.039 1.00 24.03 C ATOM 204 NH1 ARG A 23 -11.102 35.487 3.750 1.00 29.25 N ATOM 205 NH2 ARG A 23 -12.854 34.879 2.453 1.00 23.96 N ATOM 206 HE ARG A 23 -11.789 32.672 2.383 1.00 0.00 H ATOM 207 HH12 ARG A 23 -11.496 36.446 3.837 1.00 0.00 H ATOM 208 HH11 ARG A 23 -10.211 35.245 4.228 1.00 0.00 H ATOM 209 HH22 ARG A 23 -13.251 35.836 2.538 1.00 0.00 H ATOM 210 HH21 ARG A 23 -13.356 34.155 1.900 1.00 0.00 H ATOM 211 H ARG A 23 -6.071 33.290 1.783 1.00 0.00 H ATOM 212 N THR A 24 -7.007 35.969 -0.801 1.00 25.99 N ATOM 213 CA THR A 24 -6.364 37.199 -1.178 1.00 26.49 C ATOM 214 C THR A 24 -7.003 37.924 -2.373 1.00 26.70 C ATOM 215 O THR A 24 -8.185 37.873 -2.562 1.00 26.39 O ATOM 216 CB THR A 24 -4.873 36.885 -1.464 1.00 26.93 C ATOM 217 OG1 THR A 24 -4.140 38.086 -1.686 1.00 27.48 O ATOM 218 CG2 THR A 24 -4.728 35.953 -2.665 1.00 27.03 C ATOM 219 HG1 THR A 24 -3.192 37.864 -1.866 1.00 0.00 H ATOM 220 H THR A 24 -7.469 35.396 -1.536 1.00 0.00 H ATOM 221 N GLN A 25 -6.183 38.612 -3.150 1.00 30.09 N ATOM 222 CA GLN A 25 -6.626 39.348 -4.309 1.00 27.57 C ATOM 223 C GLN A 25 -5.511 39.424 -5.323 1.00 28.21 C ATOM 224 O GLN A 25 -4.366 39.347 -4.962 1.00 30.58 O ATOM 225 CB GLN A 25 -7.097 40.732 -3.919 1.00 27.65 C ATOM 226 CG GLN A 25 -6.017 41.741 -3.622 1.00 28.20 C ATOM 227 CD GLN A 25 -5.353 41.559 -2.277 1.00 28.05 C ATOM 228 OE1 GLN A 25 -5.976 41.239 -1.287 1.00 28.06 O ATOM 229 NE2 GLN A 25 -4.085 41.755 -2.257 1.00 28.53 N ATOM 230 HE22 GLN A 25 -3.587 42.029 -3.128 1.00 0.00 H ATOM 231 HE21 GLN A 25 -3.555 41.640 -1.370 1.00 0.00 H ATOM 232 H GLN A 25 -5.170 38.623 -2.914 1.00 0.00 H ATOM 233 N THR A 26 -5.879 39.568 -6.583 1.00 31.73 N ATOM 234 CA THR A 26 -4.942 39.606 -7.694 1.00 32.83 C ATOM 235 C THR A 26 -5.499 40.282 -8.958 1.00 29.72 C ATOM 236 O THR A 26 -6.574 40.811 -8.965 1.00 29.52 O ATOM 237 CB THR A 26 -4.524 38.157 -8.037 1.00 32.22 C ATOM 238 OG1 THR A 26 -3.548 38.138 -9.065 1.00 37.34 O ATOM 239 CG2 THR A 26 -5.677 37.345 -8.456 1.00 28.84 C ATOM 240 HG1 THR A 26 -2.747 38.637 -8.767 1.00 0.00 H ATOM 241 H THR A 26 -6.894 39.659 -6.792 1.00 0.00 H ATOM 242 N THR A 27 -4.733 40.248 -10.028 1.00 41.92 N ATOM 243 CA THR A 27 -5.165 40.807 -11.298 1.00 36.24 C ATOM 244 C THR A 27 -5.039 39.683 -12.292 1.00 32.84 C ATOM 245 O THR A 27 -4.394 38.692 -12.005 1.00 35.42 O ATOM 246 CB THR A 27 -4.322 42.014 -11.731 1.00 32.76 C ATOM 247 OG1 THR A 27 -2.993 41.600 -12.039 1.00 40.39 O ATOM 248 CG2 THR A 27 -4.251 42.986 -10.639 1.00 32.65 C ATOM 249 HG1 THR A 27 -2.460 42.386 -12.317 1.00 0.00 H ATOM 250 H THR A 27 -3.793 39.809 -9.963 1.00 0.00 H ATOM 251 N MET A 28 -5.668 39.811 -13.445 1.00 34.37 N ATOM 252 CA MET A 28 -5.642 38.733 -14.415 1.00 47.42 C ATOM 253 C MET A 28 -4.203 38.314 -14.686 1.00 49.13 C ATOM 254 O MET A 28 -3.886 37.136 -14.879 1.00 47.70 O ATOM 255 CB MET A 28 -6.319 39.170 -15.716 1.00 57.95 C ATOM 256 CG MET A 28 -6.717 38.018 -16.626 1.00 53.31 C ATOM 257 SD MET A 28 -7.878 36.909 -15.831 1.00 66.25 S ATOM 258 CE MET A 28 -9.263 38.042 -15.690 1.00 55.69 C ATOM 259 H MET A 28 -6.184 40.688 -13.659 1.00 0.00 H ATOM 260 N SER A 29 -3.330 39.309 -14.670 1.00 53.42 N ATOM 261 CA SER A 29 -1.964 39.143 -15.126 1.00 46.55 C ATOM 262 C SER A 29 -1.108 38.457 -14.090 1.00 40.23 C ATOM 263 O SER A 29 -0.115 37.841 -14.440 1.00 52.89 O ATOM 264 CB SER A 29 -1.374 40.504 -15.488 1.00 45.39 C ATOM 265 OG SER A 29 -2.223 41.177 -16.406 1.00 61.01 O ATOM 266 HG SER A 29 -1.830 42.057 -16.633 1.00 0.00 H ATOM 267 H SER A 29 -3.634 40.240 -14.319 1.00 0.00 H ATOM 268 N GLU A 30 -1.483 38.572 -12.824 1.00 34.67 N ATOM 269 CA GLU A 30 -0.733 37.936 -11.749 1.00 37.84 C ATOM 270 C GLU A 30 -1.321 36.610 -11.285 1.00 33.61 C ATOM 271 O GLU A 30 -0.779 36.015 -10.364 1.00 35.20 O ATOM 272 CB GLU A 30 -0.653 38.849 -10.531 1.00 46.71 C ATOM 273 CG GLU A 30 -0.094 40.233 -10.763 1.00 45.63 C ATOM 274 CD GLU A 30 -0.247 41.114 -9.534 1.00 50.28 C ATOM 275 OE1 GLU A 30 -1.309 41.052 -8.865 1.00 51.43 O ATOM 276 OE2 GLU A 30 0.708 41.854 -9.214 1.00 57.84 O ATOM 277 H GLU A 30 -2.331 39.128 -12.593 1.00 0.00 H ATOM 278 N LEU A 31 -2.410 36.155 -11.912 1.00 35.66 N ATOM 279 CA LEU A 31 -3.208 35.024 -11.402 1.00 35.06 C ATOM 280 C LEU A 31 -2.502 33.678 -11.504 1.00 39.47 C ATOM 281 O LEU A 31 -2.549 32.880 -10.571 1.00 39.23 O ATOM 282 CB LEU A 31 -4.553 34.926 -12.135 1.00 32.51 C ATOM 283 CG LEU A 31 -5.514 33.793 -11.735 1.00 32.45 C ATOM 284 CD1 LEU A 31 -6.146 34.065 -10.434 1.00 25.46 C ATOM 285 CD2 LEU A 31 -6.613 33.610 -12.763 1.00 57.22 C ATOM 286 H LEU A 31 -2.707 36.617 -12.795 1.00 0.00 H ATOM 287 N GLY A 32 -1.875 33.422 -12.645 1.00 35.73 N ATOM 288 CA GLY A 32 -1.069 32.230 -12.824 1.00 28.75 C ATOM 289 C GLY A 32 0.108 32.141 -11.874 1.00 29.59 C ATOM 290 O GLY A 32 0.376 31.099 -11.306 1.00 36.81 O ATOM 291 H GLY A 32 -1.964 34.095 -13.433 1.00 0.00 H ATOM 292 N SER A 33 0.818 33.246 -11.716 1.00 35.84 N ATOM 293 CA SER A 33 1.962 33.306 -10.816 1.00 39.67 C ATOM 294 C SER A 33 1.496 32.969 -9.426 1.00 34.51 C ATOM 295 O SER A 33 2.112 32.180 -8.724 1.00 34.91 O ATOM 296 CB SER A 33 2.616 34.697 -10.828 1.00 40.54 C ATOM 297 OG SER A 33 3.163 35.024 -12.095 1.00 45.49 O ATOM 298 HG SER A 33 2.444 35.017 -12.775 1.00 0.00 H ATOM 299 H SER A 33 0.551 34.097 -12.250 1.00 0.00 H ATOM 300 N LEU A 34 0.379 33.584 -9.062 1.00 28.87 N ATOM 301 CA LEU A 34 -0.219 33.465 -7.748 1.00 27.03 C ATOM 302 C LEU A 34 -0.562 32.043 -7.452 1.00 27.06 C ATOM 303 O LEU A 34 -0.165 31.524 -6.435 1.00 30.50 O ATOM 304 CB LEU A 34 -1.464 34.341 -7.665 1.00 28.62 C ATOM 305 CG LEU A 34 -2.263 34.302 -6.369 1.00 32.89 C ATOM 306 CD1 LEU A 34 -1.411 34.786 -5.211 1.00 31.60 C ATOM 307 CD2 LEU A 34 -3.514 35.122 -6.512 1.00 25.27 C ATOM 308 H LEU A 34 -0.096 34.188 -9.762 1.00 0.00 H ATOM 309 N PHE A 35 -1.289 31.413 -8.361 1.00 27.11 N ATOM 310 CA PHE A 35 -1.740 30.037 -8.192 1.00 27.09 C ATOM 311 C PHE A 35 -0.595 29.073 -8.058 1.00 28.39 C ATOM 312 O PHE A 35 -0.593 28.260 -7.146 1.00 31.39 O ATOM 313 CB PHE A 35 -2.625 29.606 -9.358 1.00 26.76 C ATOM 314 CG PHE A 35 -4.046 30.074 -9.249 1.00 30.64 C ATOM 315 CD1 PHE A 35 -4.430 30.975 -8.278 1.00 35.07 C ATOM 316 CD2 PHE A 35 -4.996 29.608 -10.110 1.00 25.69 C ATOM 317 CE1 PHE A 35 -5.731 31.399 -8.185 1.00 31.95 C ATOM 318 CE2 PHE A 35 -6.301 30.035 -10.016 1.00 25.16 C ATOM 319 CZ PHE A 35 -6.662 30.923 -9.056 1.00 25.98 C ATOM 320 H PHE A 35 -1.549 31.920 -9.231 1.00 0.00 H ATOM 321 N GLU A 36 0.365 29.156 -8.970 1.00 30.56 N ATOM 322 CA GLU A 36 1.545 28.303 -8.922 1.00 36.64 C ATOM 323 C GLU A 36 2.292 28.428 -7.593 1.00 39.79 C ATOM 324 O GLU A 36 2.710 27.433 -6.998 1.00 38.30 O ATOM 325 CB GLU A 36 2.490 28.640 -10.055 1.00 36.57 C ATOM 326 CG GLU A 36 1.993 28.300 -11.436 1.00 44.54 C ATOM 327 CD GLU A 36 3.012 28.652 -12.522 1.00 59.59 C ATOM 328 OE1 GLU A 36 2.596 29.140 -13.602 1.00 62.80 O ATOM 329 OE2 GLU A 36 4.230 28.446 -12.294 1.00 65.46 O ATOM 330 H GLU A 36 0.273 29.849 -9.740 1.00 0.00 H ATOM 331 N ALA A 37 2.460 29.664 -7.138 1.00 31.30 N ATOM 332 CA ALA A 37 3.067 29.944 -5.836 1.00 30.63 C ATOM 333 C ALA A 37 2.266 29.414 -4.656 1.00 29.82 C ATOM 334 O ALA A 37 2.799 28.701 -3.824 1.00 30.40 O ATOM 335 CB ALA A 37 3.267 31.436 -5.673 1.00 30.41 C ATOM 336 H ALA A 37 2.149 30.462 -7.728 1.00 0.00 H ATOM 337 N GLY A 38 0.994 29.792 -4.582 1.00 29.38 N ATOM 338 CA GLY A 38 0.118 29.425 -3.479 1.00 28.73 C ATOM 339 C GLY A 38 -0.207 27.948 -3.399 1.00 28.13 C ATOM 340 O GLY A 38 -0.191 27.365 -2.324 1.00 32.94 O ATOM 341 H GLY A 38 0.606 30.378 -5.349 1.00 0.00 H ATOM 342 N TYR A 39 -0.517 27.345 -4.541 1.00 28.84 N ATOM 343 CA TYR A 39 -0.857 25.939 -4.574 1.00 28.39 C ATOM 344 C TYR A 39 0.353 25.116 -4.118 1.00 29.74 C ATOM 345 O TYR A 39 0.234 24.142 -3.387 1.00 29.92 O ATOM 346 CB TYR A 39 -1.329 25.527 -5.977 1.00 28.40 C ATOM 347 CG TYR A 39 -2.789 25.832 -6.325 1.00 27.05 C ATOM 348 CD1 TYR A 39 -3.816 25.665 -5.399 1.00 26.01 C ATOM 349 CD2 TYR A 39 -3.137 26.259 -7.595 1.00 29.65 C ATOM 350 CE1 TYR A 39 -5.125 25.920 -5.728 1.00 24.84 C ATOM 351 CE2 TYR A 39 -4.454 26.521 -7.934 1.00 25.69 C ATOM 352 CZ TYR A 39 -5.440 26.351 -7.002 1.00 26.34 C ATOM 353 OH TYR A 39 -6.739 26.610 -7.378 1.00 23.56 O ATOM 354 HH TYR A 39 -7.342 26.447 -6.610 1.00 0.00 H ATOM 355 H TYR A 39 -0.515 27.892 -5.426 1.00 0.00 H ATOM 356 N HIS A 40 1.535 25.531 -4.525 1.00 30.61 N ATOM 357 CA HIS A 40 2.737 24.868 -4.089 1.00 31.93 C ATOM 358 C HIS A 40 3.001 25.026 -2.589 1.00 31.86 C ATOM 359 O HIS A 40 3.357 24.080 -1.927 1.00 32.52 O ATOM 360 CB HIS A 40 3.902 25.399 -4.884 1.00 32.97 C ATOM 361 CG HIS A 40 5.224 24.862 -4.438 1.00 55.04 C ATOM 362 ND1 HIS A 40 5.823 23.772 -5.030 1.00 63.27 N ATOM 363 CD2 HIS A 40 6.062 25.267 -3.450 1.00 52.12 C ATOM 364 CE1 HIS A 40 6.979 23.535 -4.434 1.00 58.83 C ATOM 365 NE2 HIS A 40 7.148 24.428 -3.474 1.00 51.10 N ATOM 366 H HIS A 40 1.601 26.346 -5.168 1.00 0.00 H ATOM 367 N ASP A 41 2.838 26.225 -2.060 1.00 31.11 N ATOM 368 CA ASP A 41 3.000 26.471 -0.636 1.00 30.96 C ATOM 369 C ASP A 41 2.019 25.676 0.243 1.00 30.29 C ATOM 370 O ASP A 41 2.372 25.274 1.355 1.00 32.08 O ATOM 371 CB ASP A 41 2.833 27.968 -0.338 1.00 30.67 C ATOM 372 CG ASP A 41 4.057 28.804 -0.687 1.00 32.11 C ATOM 373 OD1 ASP A 41 5.099 28.267 -1.105 1.00 39.62 O ATOM 374 OD2 ASP A 41 3.964 30.037 -0.528 1.00 33.16 O ATOM 375 H ASP A 41 2.586 27.019 -2.682 1.00 0.00 H ATOM 376 N ILE A 42 0.792 25.465 -0.246 1.00 30.12 N ATOM 377 CA ILE A 42 -0.207 24.672 0.478 1.00 29.48 C ATOM 378 C ILE A 42 0.188 23.206 0.529 1.00 30.59 C ATOM 379 O ILE A 42 0.186 22.586 1.588 1.00 31.02 O ATOM 380 CB ILE A 42 -1.631 24.771 -0.159 1.00 36.29 C ATOM 381 CG1 ILE A 42 -2.194 26.188 -0.063 1.00 31.32 C ATOM 382 CG2 ILE A 42 -2.602 23.842 0.541 1.00 32.72 C ATOM 383 CD1 ILE A 42 -3.409 26.446 -0.915 1.00 26.05 C ATOM 384 H ILE A 42 0.539 25.876 -1.167 1.00 0.00 H ATOM 385 N LEU A 43 0.497 22.653 -0.636 1.00 30.33 N ATOM 386 CA LEU A 43 1.029 21.313 -0.729 1.00 31.47 C ATOM 387 C LEU A 43 2.209 21.127 0.202 1.00 32.58 C ATOM 388 O LEU A 43 2.278 20.153 0.922 1.00 33.95 O ATOM 389 CB LEU A 43 1.445 21.025 -2.159 1.00 33.33 C ATOM 390 CG LEU A 43 0.335 20.867 -3.190 1.00 32.97 C ATOM 391 CD1 LEU A 43 0.921 20.733 -4.582 1.00 37.03 C ATOM 392 CD2 LEU A 43 -0.524 19.667 -2.858 1.00 39.48 C ATOM 393 H LEU A 43 0.352 23.200 -1.509 1.00 0.00 H ATOM 394 N GLN A 44 3.142 22.069 0.166 1.00 33.01 N ATOM 395 CA GLN A 44 4.265 22.111 1.089 1.00 33.98 C ATOM 396 C GLN A 44 3.787 22.074 2.535 1.00 33.44 C ATOM 397 O GLN A 44 4.316 21.345 3.355 1.00 37.39 O ATOM 398 CB GLN A 44 5.107 23.366 0.818 1.00 44.93 C ATOM 399 CG GLN A 44 6.212 23.664 1.839 1.00 66.50 C ATOM 400 CD GLN A 44 7.209 24.741 1.378 1.00 57.50 C ATOM 401 OE1 GLN A 44 8.237 24.421 0.784 1.00 52.55 O ATOM 402 NE2 GLN A 44 6.917 26.014 1.675 1.00 49.28 N ATOM 403 HE22 GLN A 44 6.036 26.242 2.179 1.00 0.00 H ATOM 404 HE21 GLN A 44 7.571 26.775 1.402 1.00 0.00 H ATOM 405 H GLN A 44 3.067 22.813 -0.557 1.00 0.00 H ATOM 406 N LEU A 45 2.766 22.840 2.849 1.00 32.08 N ATOM 407 CA LEU A 45 2.281 22.871 4.207 1.00 31.56 C ATOM 408 C LEU A 45 1.576 21.576 4.623 1.00 31.55 C ATOM 409 O LEU A 45 1.626 21.149 5.774 1.00 31.81 O ATOM 410 CB LEU A 45 1.345 24.053 4.366 1.00 38.71 C ATOM 411 CG LEU A 45 1.106 24.495 5.805 1.00 49.16 C ATOM 412 CD1 LEU A 45 2.398 25.064 6.407 1.00 57.81 C ATOM 413 CD2 LEU A 45 -0.024 25.506 5.876 1.00 41.05 C ATOM 414 H LEU A 45 2.309 23.423 2.119 1.00 0.00 H ATOM 415 N LEU A 46 0.908 20.956 3.672 1.00 32.19 N ATOM 416 CA LEU A 46 0.273 19.676 3.913 1.00 38.24 C ATOM 417 C LEU A 46 1.311 18.636 4.243 1.00 38.44 C ATOM 418 O LEU A 46 1.228 17.936 5.243 1.00 35.24 O ATOM 419 CB LEU A 46 -0.529 19.249 2.690 1.00 34.38 C ATOM 420 CG LEU A 46 -1.874 19.956 2.620 1.00 33.10 C ATOM 421 CD1 LEU A 46 -2.520 19.834 1.258 1.00 41.01 C ATOM 422 CD2 LEU A 46 -2.795 19.423 3.702 1.00 36.05 C ATOM 423 H LEU A 46 0.835 21.393 2.731 1.00 0.00 H ATOM 424 N ALA A 47 2.293 18.542 3.364 1.00 38.80 N ATOM 425 CA ALA A 47 3.438 17.687 3.567 1.00 35.40 C ATOM 426 C ALA A 47 4.135 17.949 4.916 1.00 35.92 C ATOM 427 O ALA A 47 4.649 17.032 5.543 1.00 39.67 O ATOM 428 CB ALA A 47 4.389 17.874 2.435 1.00 36.25 C ATOM 429 H ALA A 47 2.239 19.106 2.492 1.00 0.00 H ATOM 430 N GLY A 48 4.120 19.197 5.365 1.00 44.10 N ATOM 431 CA GLY A 48 4.708 19.561 6.638 1.00 37.81 C ATOM 432 C GLY A 48 4.090 18.810 7.794 1.00 36.93 C ATOM 433 O GLY A 48 4.710 18.677 8.859 1.00 40.60 O ATOM 434 H GLY A 48 3.673 19.936 4.786 1.00 0.00 H ATOM 435 N GLN A 49 2.864 18.338 7.587 1.00 37.70 N ATOM 436 CA GLN A 49 2.138 17.578 8.601 1.00 36.66 C ATOM 437 C GLN A 49 1.961 16.158 8.146 1.00 42.01 C ATOM 438 O GLN A 49 1.120 15.447 8.673 1.00 48.74 O ATOM 439 CB GLN A 49 0.759 18.144 8.881 1.00 35.08 C ATOM 440 CG GLN A 49 0.652 19.616 9.029 1.00 42.11 C ATOM 441 CD GLN A 49 -0.749 20.086 8.737 1.00 43.30 C ATOM 442 OE1 GLN A 49 -1.707 19.633 9.354 1.00 42.24 O ATOM 443 NE2 GLN A 49 -0.881 20.980 7.771 1.00 55.39 N ATOM 444 HE22 GLN A 49 -0.040 21.337 7.274 1.00 0.00 H ATOM 445 HE21 GLN A 49 -1.826 21.326 7.508 1.00 0.00 H ATOM 446 H GLN A 49 2.406 18.516 6.670 1.00 0.00 H ATOM 447 N GLY A 50 2.744 15.761 7.151 1.00 50.42 N ATOM 448 CA GLY A 50 2.663 14.427 6.595 1.00 46.69 C ATOM 449 C GLY A 50 1.261 14.102 6.128 1.00 55.06 C ATOM 450 O GLY A 50 0.802 12.962 6.272 1.00 56.29 O ATOM 451 H GLY A 50 3.438 16.429 6.758 1.00 0.00 H ATOM 452 N LYS A 51 0.576 15.113 5.589 1.00 56.91 N ATOM 453 CA LYS A 51 -0.763 14.935 5.029 1.00 48.11 C ATOM 454 C LYS A 51 -0.759 15.206 3.529 1.00 47.35 C ATOM 455 O LYS A 51 0.183 15.775 2.980 1.00 45.06 O ATOM 456 CB LYS A 51 -1.773 15.843 5.728 1.00 40.99 C ATOM 457 CG LYS A 51 -1.961 15.558 7.208 1.00 45.47 C ATOM 458 CD LYS A 51 -2.857 14.359 7.452 1.00 56.26 C ATOM 459 CE LYS A 51 -2.815 13.905 8.923 1.00 63.22 C ATOM 460 NZ LYS A 51 -3.309 14.940 9.890 1.00 53.90 N ATOM 461 HZ1 LYS A 51 -2.720 15.794 9.813 1.00 0.00 H ATOM 462 HZ2 LYS A 51 -4.297 15.177 9.667 1.00 0.00 H ATOM 463 HZ3 LYS A 51 -3.251 14.564 10.858 1.00 0.00 H ATOM 464 H LYS A 51 1.009 16.058 5.567 1.00 0.00 H ATOM 465 N SER A 52 -1.830 14.783 2.877 1.00 51.46 N ATOM 466 CA SER A 52 -1.936 14.843 1.429 1.00 47.96 C ATOM 467 C SER A 52 -3.252 15.526 1.119 1.00 38.98 C ATOM 468 O SER A 52 -4.165 15.494 1.929 1.00 43.72 O ATOM 469 CB SER A 52 -1.878 13.434 0.818 1.00 60.20 C ATOM 470 OG SER A 52 -1.636 13.464 -0.581 1.00 64.11 O ATOM 471 HG SER A 52 -1.607 12.538 -0.930 1.00 0.00 H ATOM 472 H SER A 52 -2.626 14.393 3.421 1.00 0.00 H ATOM 473 N PRO A 53 -3.349 16.184 -0.034 1.00 35.83 N ATOM 474 CA PRO A 53 -4.685 16.627 -0.409 1.00 33.08 C ATOM 475 C PRO A 53 -5.626 15.455 -0.652 1.00 34.19 C ATOM 476 O PRO A 53 -5.218 14.353 -0.999 1.00 43.53 O ATOM 477 CB PRO A 53 -4.453 17.440 -1.686 1.00 40.30 C ATOM 478 CG PRO A 53 -3.065 17.205 -2.090 1.00 45.10 C ATOM 479 CD PRO A 53 -2.313 16.771 -0.885 1.00 45.16 C ATOM 480 N SER A 54 -6.899 15.730 -0.433 1.00 33.49 N ATOM 481 CA SER A 54 -7.972 14.769 -0.580 1.00 34.49 C ATOM 482 C SER A 54 -8.801 15.025 -1.857 1.00 36.17 C ATOM 483 O SER A 54 -9.817 14.384 -2.096 1.00 38.11 O ATOM 484 CB SER A 54 -8.861 14.819 0.670 1.00 34.95 C ATOM 485 OG SER A 54 -9.732 15.922 0.663 1.00 40.15 O ATOM 486 HG SER A 54 -9.203 16.758 0.629 1.00 0.00 H ATOM 487 H SER A 54 -7.146 16.696 -0.137 1.00 0.00 H ATOM 488 N GLY A 55 -8.345 15.957 -2.688 1.00 36.26 N ATOM 489 CA GLY A 55 -9.052 16.310 -3.905 1.00 39.51 C ATOM 490 C GLY A 55 -8.321 17.334 -4.755 1.00 34.61 C ATOM 491 O GLY A 55 -7.342 17.929 -4.310 1.00 31.51 O ATOM 492 H GLY A 55 -7.457 16.447 -2.459 1.00 0.00 H ATOM 493 N PRO A 56 -8.793 17.541 -5.992 1.00 29.65 N ATOM 494 CA PRO A 56 -8.092 18.498 -6.831 1.00 28.81 C ATOM 495 C PRO A 56 -8.289 19.916 -6.342 1.00 30.32 C ATOM 496 O PRO A 56 -9.178 20.200 -5.540 1.00 30.18 O ATOM 497 CB PRO A 56 -8.716 18.279 -8.203 1.00 29.12 C ATOM 498 CG PRO A 56 -10.000 17.750 -7.946 1.00 29.54 C ATOM 499 CD PRO A 56 -9.902 16.914 -6.722 1.00 30.26 C ATOM 500 N PRO A 57 -7.437 20.817 -6.810 1.00 26.94 N ATOM 501 CA PRO A 57 -7.492 22.195 -6.367 1.00 26.04 C ATOM 502 C PRO A 57 -8.671 22.952 -6.950 1.00 28.43 C ATOM 503 O PRO A 57 -9.216 22.567 -7.975 1.00 28.07 O ATOM 504 CB PRO A 57 -6.171 22.761 -6.875 1.00 28.14 C ATOM 505 CG PRO A 57 -5.821 21.948 -8.004 1.00 26.62 C ATOM 506 CD PRO A 57 -6.322 20.587 -7.734 1.00 28.76 C ATOM 507 N PHE A 58 -9.049 24.032 -6.290 1.00 32.00 N ATOM 508 CA PHE A 58 -10.144 24.850 -6.756 1.00 29.48 C ATOM 509 C PHE A 58 -9.867 26.338 -6.521 1.00 24.10 C ATOM 510 O PHE A 58 -8.939 26.698 -5.800 1.00 25.07 O ATOM 511 CB PHE A 58 -11.431 24.418 -6.053 1.00 28.02 C ATOM 512 CG PHE A 58 -11.435 24.707 -4.594 1.00 29.15 C ATOM 513 CD1 PHE A 58 -11.945 25.895 -4.105 1.00 24.79 C ATOM 514 CD2 PHE A 58 -10.905 23.805 -3.715 1.00 24.86 C ATOM 515 CE1 PHE A 58 -11.929 26.161 -2.783 1.00 23.95 C ATOM 516 CE2 PHE A 58 -10.891 24.071 -2.395 1.00 24.77 C ATOM 517 CZ PHE A 58 -11.398 25.256 -1.926 1.00 24.46 C ATOM 518 H PHE A 58 -8.548 24.298 -5.418 1.00 0.00 H ATOM 519 N ALA A 59 -10.679 27.180 -7.161 1.00 28.67 N ATOM 520 CA ALA A 59 -10.683 28.624 -6.952 1.00 28.05 C ATOM 521 C ALA A 59 -12.114 29.181 -6.867 1.00 26.68 C ATOM 522 O ALA A 59 -13.032 28.674 -7.491 1.00 24.99 O ATOM 523 CB ALA A 59 -9.913 29.322 -8.074 1.00 29.59 C ATOM 524 H ALA A 59 -11.349 26.784 -7.850 1.00 0.00 H ATOM 525 N ARG A 60 -12.279 30.230 -6.071 1.00 27.86 N ATOM 526 CA ARG A 60 -13.522 30.986 -6.018 1.00 24.46 C ATOM 527 C ARG A 60 -13.292 32.452 -6.370 1.00 24.81 C ATOM 528 O ARG A 60 -12.353 33.060 -5.931 1.00 24.43 O ATOM 529 CB ARG A 60 -14.175 30.865 -4.635 1.00 24.24 C ATOM 530 CG ARG A 60 -14.453 29.458 -4.198 1.00 24.20 C ATOM 531 CD ARG A 60 -14.792 29.394 -2.727 1.00 24.11 C ATOM 532 NE ARG A 60 -16.134 29.865 -2.432 1.00 24.69 N ATOM 533 CZ ARG A 60 -16.771 29.601 -1.304 1.00 27.33 C ATOM 534 NH1 ARG A 60 -16.189 28.865 -0.373 1.00 29.93 N ATOM 535 NH2 ARG A 60 -17.992 30.056 -1.115 1.00 37.72 N ATOM 536 HE ARG A 60 -16.621 30.442 -3.148 1.00 0.00 H ATOM 537 HH12 ARG A 60 -16.690 28.657 0.514 1.00 0.00 H ATOM 538 HH11 ARG A 60 -15.230 28.494 -0.528 1.00 0.00 H ATOM 539 HH22 ARG A 60 -18.493 29.848 -0.228 1.00 0.00 H ATOM 540 HH21 ARG A 60 -18.456 30.623 -1.853 1.00 0.00 H ATOM 541 H ARG A 60 -11.489 30.523 -5.461 1.00 0.00 H ATOM 542 N TYR A 61 -14.190 32.985 -7.179 1.00 26.33 N ATOM 543 CA TYR A 61 -14.082 34.311 -7.740 1.00 27.13 C ATOM 544 C TYR A 61 -15.352 35.096 -7.503 1.00 28.03 C ATOM 545 O TYR A 61 -16.403 34.536 -7.265 1.00 28.22 O ATOM 546 CB TYR A 61 -13.835 34.267 -9.234 1.00 27.98 C ATOM 547 CG TYR A 61 -12.697 33.420 -9.660 1.00 27.42 C ATOM 548 CD1 TYR A 61 -11.407 33.850 -9.485 1.00 27.02 C ATOM 549 CD2 TYR A 61 -12.905 32.209 -10.291 1.00 32.45 C ATOM 550 CE1 TYR A 61 -10.348 33.093 -9.894 1.00 32.12 C ATOM 551 CE2 TYR A 61 -11.844 31.440 -10.701 1.00 33.78 C ATOM 552 CZ TYR A 61 -10.564 31.896 -10.497 1.00 30.10 C ATOM 553 OH TYR A 61 -9.481 31.170 -10.895 1.00 33.85 O ATOM 554 HH TYR A 61 -9.486 30.293 -10.436 1.00 0.00 H ATOM 555 H TYR A 61 -15.024 32.416 -7.427 1.00 0.00 H ATOM 556 N PHE A 62 -15.226 36.410 -7.588 1.00 29.20 N ATOM 557 CA PHE A 62 -16.346 37.322 -7.508 1.00 32.64 C ATOM 558 C PHE A 62 -15.844 38.672 -8.004 1.00 31.53 C ATOM 559 O PHE A 62 -14.753 39.100 -7.638 1.00 34.44 O ATOM 560 CB PHE A 62 -16.885 37.392 -6.089 1.00 29.40 C ATOM 561 CG PHE A 62 -18.120 38.229 -5.940 1.00 30.82 C ATOM 562 CD1 PHE A 62 -19.364 37.655 -5.941 1.00 33.00 C ATOM 563 CD2 PHE A 62 -18.030 39.589 -5.765 1.00 31.76 C ATOM 564 CE1 PHE A 62 -20.491 38.432 -5.786 1.00 35.09 C ATOM 565 CE2 PHE A 62 -19.149 40.349 -5.610 1.00 33.26 C ATOM 566 CZ PHE A 62 -20.377 39.771 -5.621 1.00 33.82 C ATOM 567 H PHE A 62 -14.274 36.807 -7.719 1.00 0.00 H ATOM 568 N GLY A 63 -16.612 39.305 -8.884 1.00 39.59 N ATOM 569 CA GLY A 63 -16.262 40.613 -9.417 1.00 46.66 C ATOM 570 C GLY A 63 -15.034 40.523 -10.290 1.00 50.64 C ATOM 571 O GLY A 63 -14.283 41.496 -10.444 1.00 49.62 O ATOM 572 H GLY A 63 -17.492 38.851 -9.202 1.00 0.00 H ATOM 573 N MET A 64 -14.859 39.338 -10.872 1.00 46.63 N ATOM 574 CA MET A 64 -13.617 38.953 -11.525 1.00 47.20 C ATOM 575 C MET A 64 -13.372 39.776 -12.782 1.00 64.81 C ATOM 576 O MET A 64 -14.238 40.546 -13.218 1.00 74.49 O ATOM 577 CB MET A 64 -13.655 37.455 -11.853 1.00 44.60 C ATOM 578 CG MET A 64 -12.445 36.885 -12.622 1.00 46.08 C ATOM 579 SD MET A 64 -12.574 35.116 -12.966 1.00 76.42 S ATOM 580 CE MET A 64 -10.887 34.812 -13.496 1.00 54.82 C ATOM 581 H MET A 64 -15.645 38.657 -10.859 1.00 0.00 H ATOM 582 N SER A 65 -12.163 39.647 -13.322 1.00 92.46 N ATOM 583 CA SER A 65 -11.831 40.140 -14.655 1.00 94.55 C ATOM 584 C SER A 65 -11.632 41.649 -14.669 1.00 96.26 C ATOM 585 O SER A 65 -11.056 42.191 -15.613 1.00 99.66 O ATOM 586 CB SER A 65 -12.921 39.739 -15.655 1.00 91.62 C ATOM 587 H SER A 65 -11.421 39.173 -12.769 1.00 0.00 H ATOM 588 N ALA A 66 -12.087 42.318 -13.610 1.00 80.59 N ATOM 589 CA ALA A 66 -12.038 43.769 -13.535 1.00 81.30 C ATOM 590 C ALA A 66 -11.040 44.249 -12.477 1.00 72.03 C ATOM 591 O ALA A 66 -11.279 44.126 -11.272 1.00 58.27 O ATOM 592 CB ALA A 66 -13.425 44.322 -13.246 1.00 82.65 C ATOM 593 H ALA A 66 -12.490 41.786 -12.813 1.00 0.00 H ATOM 594 N GLY A 67 -9.952 44.818 -12.987 1.00 58.01 N ATOM 595 CA GLY A 67 -8.870 45.367 -12.201 1.00 47.14 C ATOM 596 C GLY A 67 -8.325 44.376 -11.206 1.00 41.68 C ATOM 597 O GLY A 67 -7.824 43.335 -11.566 1.00 38.11 O ATOM 598 H GLY A 67 -9.874 44.872 -14.023 1.00 0.00 H ATOM 599 N THR A 68 -8.435 44.736 -9.946 1.00 48.49 N ATOM 600 CA THR A 68 -7.992 43.910 -8.866 1.00 35.52 C ATOM 601 C THR A 68 -9.216 43.274 -8.257 1.00 33.67 C ATOM 602 O THR A 68 -10.125 43.952 -7.841 1.00 37.24 O ATOM 603 CB THR A 68 -7.230 44.716 -7.820 1.00 34.50 C ATOM 604 OG1 THR A 68 -5.999 45.148 -8.373 1.00 35.81 O ATOM 605 CG2 THR A 68 -6.956 43.901 -6.632 1.00 32.50 C ATOM 606 HG1 THR A 68 -5.501 45.672 -7.697 1.00 0.00 H ATOM 607 H THR A 68 -8.861 45.659 -9.726 1.00 0.00 H ATOM 608 N PHE A 69 -9.226 41.959 -8.227 1.00 30.75 N ATOM 609 CA PHE A 69 -10.343 41.218 -7.718 1.00 29.99 C ATOM 610 C PHE A 69 -10.051 40.134 -6.705 1.00 28.17 C ATOM 611 O PHE A 69 -8.999 39.549 -6.701 1.00 27.42 O ATOM 612 CB PHE A 69 -11.056 40.560 -8.891 1.00 30.57 C ATOM 613 CG PHE A 69 -10.198 39.639 -9.684 1.00 30.05 C ATOM 614 CD1 PHE A 69 -10.041 38.324 -9.320 1.00 33.17 C ATOM 615 CD2 PHE A 69 -9.542 40.088 -10.791 1.00 31.26 C ATOM 616 CE1 PHE A 69 -9.240 37.486 -10.049 1.00 29.79 C ATOM 617 CE2 PHE A 69 -8.739 39.256 -11.525 1.00 30.94 C ATOM 618 CZ PHE A 69 -8.589 37.954 -11.153 1.00 29.45 C ATOM 619 H PHE A 69 -8.398 41.441 -8.584 1.00 0.00 H ATOM 620 N GLU A 70 -11.044 39.901 -5.856 1.00 27.94 N ATOM 621 CA GLU A 70 -11.061 38.814 -4.902 1.00 26.58 C ATOM 622 C GLU A 70 -10.761 37.396 -5.479 1.00 30.08 C ATOM 623 O GLU A 70 -11.253 37.016 -6.542 1.00 31.22 O ATOM 624 CB GLU A 70 -12.448 38.856 -4.247 1.00 26.80 C ATOM 625 CG GLU A 70 -12.684 37.811 -3.248 1.00 33.99 C ATOM 626 CD GLU A 70 -13.333 36.568 -3.778 1.00 28.94 C ATOM 627 OE1 GLU A 70 -14.282 36.641 -4.554 1.00 34.09 O ATOM 628 OE2 GLU A 70 -12.896 35.493 -3.367 1.00 32.46 O ATOM 629 H GLU A 70 -11.863 40.542 -5.878 1.00 0.00 H ATOM 630 N VAL A 71 -9.951 36.611 -4.769 1.00 28.00 N ATOM 631 CA VAL A 71 -9.803 35.190 -5.073 1.00 27.83 C ATOM 632 C VAL A 71 -9.512 34.339 -3.829 1.00 25.49 C ATOM 633 O VAL A 71 -8.714 34.705 -3.003 1.00 26.02 O ATOM 634 CB VAL A 71 -8.690 34.974 -6.136 1.00 30.74 C ATOM 635 CG1 VAL A 71 -7.306 35.184 -5.545 1.00 29.92 C ATOM 636 CG2 VAL A 71 -8.817 33.612 -6.779 1.00 24.82 C ATOM 637 H VAL A 71 -9.411 37.020 -3.980 1.00 0.00 H ATOM 638 N GLU A 72 -10.207 33.215 -3.703 1.00 23.96 N ATOM 639 CA GLU A 72 -9.894 32.184 -2.726 1.00 23.54 C ATOM 640 C GLU A 72 -9.550 30.887 -3.450 1.00 23.55 C ATOM 641 O GLU A 72 -10.323 30.418 -4.256 1.00 25.63 O ATOM 642 CB GLU A 72 -11.061 31.941 -1.779 1.00 23.63 C ATOM 643 CG GLU A 72 -11.726 33.161 -1.251 1.00 25.06 C ATOM 644 CD GLU A 72 -12.936 32.820 -0.446 1.00 24.65 C ATOM 645 OE1 GLU A 72 -14.054 33.235 -0.798 1.00 29.51 O ATOM 646 OE2 GLU A 72 -12.764 32.109 0.537 1.00 29.67 O ATOM 647 H GLU A 72 -11.018 33.064 -4.336 1.00 0.00 H ATOM 648 N PHE A 73 -8.393 30.301 -3.179 1.00 23.89 N ATOM 649 CA PHE A 73 -8.015 29.078 -3.868 1.00 28.57 C ATOM 650 C PHE A 73 -7.288 28.114 -2.952 1.00 28.52 C ATOM 651 O PHE A 73 -6.631 28.495 -1.989 1.00 25.68 O ATOM 652 CB PHE A 73 -7.165 29.396 -5.105 1.00 32.48 C ATOM 653 CG PHE A 73 -5.849 30.071 -4.804 1.00 33.85 C ATOM 654 CD1 PHE A 73 -5.801 31.385 -4.409 1.00 31.71 C ATOM 655 CD2 PHE A 73 -4.657 29.393 -4.963 1.00 29.10 C ATOM 656 CE1 PHE A 73 -4.614 31.979 -4.152 1.00 26.91 C ATOM 657 CE2 PHE A 73 -3.477 29.994 -4.706 1.00 25.72 C ATOM 658 CZ PHE A 73 -3.454 31.287 -4.300 1.00 26.24 C ATOM 659 H PHE A 73 -7.754 30.717 -2.472 1.00 0.00 H ATOM 660 N GLY A 74 -7.436 26.840 -3.251 1.00 26.36 N ATOM 661 CA GLY A 74 -6.832 25.833 -2.423 1.00 23.84 C ATOM 662 C GLY A 74 -7.186 24.408 -2.766 1.00 24.51 C ATOM 663 O GLY A 74 -7.505 24.080 -3.882 1.00 24.62 O ATOM 664 H GLY A 74 -7.990 26.563 -4.086 1.00 0.00 H ATOM 665 N PHE A 75 -7.118 23.570 -1.746 1.00 25.16 N ATOM 666 CA PHE A 75 -7.342 22.151 -1.876 1.00 26.13 C ATOM 667 C PHE A 75 -8.255 21.728 -0.764 1.00 26.63 C ATOM 668 O PHE A 75 -8.127 22.237 0.349 1.00 28.52 O ATOM 669 CB PHE A 75 -6.056 21.330 -1.741 1.00 28.79 C ATOM 670 CG PHE A 75 -5.075 21.481 -2.859 1.00 26.96 C ATOM 671 CD1 PHE A 75 -5.148 20.671 -3.956 1.00 27.47 C ATOM 672 CD2 PHE A 75 -4.030 22.379 -2.775 1.00 26.57 C ATOM 673 CE1 PHE A 75 -4.232 20.788 -4.965 1.00 27.80 C ATOM 674 CE2 PHE A 75 -3.125 22.490 -3.786 1.00 26.70 C ATOM 675 CZ PHE A 75 -3.230 21.691 -4.873 1.00 27.21 C ATOM 676 H PHE A 75 -6.892 23.952 -0.805 1.00 0.00 H ATOM 677 N PRO A 76 -9.149 20.761 -1.043 1.00 27.32 N ATOM 678 CA PRO A 76 -9.880 20.038 -0.003 1.00 28.32 C ATOM 679 C PRO A 76 -8.929 19.123 0.771 1.00 29.88 C ATOM 680 O PRO A 76 -7.982 18.622 0.180 1.00 30.86 O ATOM 681 CB PRO A 76 -10.894 19.245 -0.801 1.00 28.82 C ATOM 682 CG PRO A 76 -10.238 18.997 -2.055 1.00 28.68 C ATOM 683 CD PRO A 76 -9.427 20.184 -2.366 1.00 27.50 C ATOM 684 N VAL A 77 -9.143 18.939 2.063 1.00 30.48 N ATOM 685 CA VAL A 77 -8.200 18.196 2.879 1.00 31.97 C ATOM 686 C VAL A 77 -8.920 17.312 3.885 1.00 33.68 C ATOM 687 O VAL A 77 -10.090 17.525 4.180 1.00 33.52 O ATOM 688 CB VAL A 77 -7.232 19.139 3.625 1.00 31.53 C ATOM 689 CG1 VAL A 77 -6.521 20.008 2.641 1.00 30.08 C ATOM 690 CG2 VAL A 77 -7.961 19.998 4.672 1.00 31.16 C ATOM 691 H VAL A 77 -10.000 19.333 2.501 1.00 0.00 H ATOM 692 N GLU A 78 -8.212 16.310 4.402 1.00 47.30 N ATOM 693 CA GLU A 78 -8.737 15.532 5.518 1.00 46.47 C ATOM 694 C GLU A 78 -8.866 16.408 6.752 1.00 48.60 C ATOM 695 O GLU A 78 -8.312 17.504 6.828 1.00 49.52 O ATOM 696 CB GLU A 78 -7.870 14.302 5.816 1.00 54.13 C ATOM 697 CG GLU A 78 -6.377 14.462 5.600 1.00 58.78 C ATOM 698 CD GLU A 78 -5.618 13.145 5.731 1.00 61.12 C ATOM 699 OE1 GLU A 78 -6.036 12.302 6.556 1.00 59.29 O ATOM 700 OE2 GLU A 78 -4.616 12.951 4.997 1.00 59.32 O ATOM 701 H GLU A 78 -7.278 16.080 4.007 1.00 0.00 H ATOM 702 N GLY A 79 -9.644 15.934 7.711 1.00 56.46 N ATOM 703 CA GLY A 79 -9.854 16.685 8.928 1.00 51.93 C ATOM 704 C GLY A 79 -8.588 16.616 9.747 1.00 52.57 C ATOM 705 O GLY A 79 -7.736 15.748 9.507 1.00 59.16 O ATOM 706 H GLY A 79 -10.109 15.012 7.588 1.00 0.00 H ATOM 707 N GLY A 80 -8.461 17.534 10.702 1.00 61.36 N ATOM 708 CA GLY A 80 -7.320 17.559 11.602 1.00 58.70 C ATOM 709 C GLY A 80 -6.171 18.387 11.065 1.00 54.82 C ATOM 710 O GLY A 80 -5.215 18.666 11.783 1.00 60.34 O ATOM 711 H GLY A 80 -9.202 18.256 10.808 1.00 0.00 H ATOM 712 N VAL A 81 -6.272 18.764 9.793 1.00 46.62 N ATOM 713 CA VAL A 81 -5.283 19.598 9.116 1.00 41.43 C ATOM 714 C VAL A 81 -5.300 21.010 9.663 1.00 41.42 C ATOM 715 O VAL A 81 -6.370 21.539 9.949 1.00 53.93 O ATOM 716 CB VAL A 81 -5.552 19.632 7.591 1.00 39.78 C ATOM 717 CG1 VAL A 81 -4.812 20.779 6.906 1.00 34.90 C ATOM 718 CG2 VAL A 81 -5.173 18.307 6.969 1.00 47.76 C ATOM 719 H VAL A 81 -7.101 18.447 9.251 1.00 0.00 H ATOM 720 N GLU A 82 -4.123 21.612 9.817 1.00 40.50 N ATOM 721 CA GLU A 82 -4.047 23.005 10.228 1.00 44.30 C ATOM 722 C GLU A 82 -3.237 23.846 9.255 1.00 44.11 C ATOM 723 O GLU A 82 -2.369 23.345 8.545 1.00 43.32 O ATOM 724 CB GLU A 82 -3.480 23.129 11.642 1.00 48.21 C ATOM 725 CG GLU A 82 -2.109 22.554 11.860 1.00 55.48 C ATOM 726 CD GLU A 82 -1.710 22.570 13.336 1.00 61.82 C ATOM 727 OE1 GLU A 82 -2.616 22.507 14.204 1.00 59.93 O ATOM 728 OE2 GLU A 82 -0.492 22.657 13.627 1.00 60.30 O ATOM 729 H GLU A 82 -3.247 21.080 9.641 1.00 0.00 H ATOM 730 N GLY A 83 -3.574 25.130 9.216 1.00 38.68 N ATOM 731 CA GLY A 83 -2.964 26.064 8.299 1.00 38.14 C ATOM 732 C GLY A 83 -1.858 26.795 9.021 1.00 33.94 C ATOM 733 O GLY A 83 -1.603 26.556 10.200 1.00 36.62 O ATOM 734 H GLY A 83 -4.305 25.476 9.870 1.00 0.00 H ATOM 735 N SER A 84 -1.188 27.685 8.308 1.00 31.46 N ATOM 736 CA SER A 84 -0.158 28.493 8.912 1.00 30.55 C ATOM 737 C SER A 84 0.155 29.581 7.923 1.00 32.93 C ATOM 738 O SER A 84 -0.079 29.438 6.723 1.00 28.35 O ATOM 739 CB SER A 84 1.081 27.670 9.294 1.00 32.25 C ATOM 740 OG SER A 84 1.882 27.371 8.188 1.00 42.37 O ATOM 741 HG SER A 84 2.665 26.842 8.483 1.00 0.00 H ATOM 742 H SER A 84 -1.407 27.804 7.298 1.00 0.00 H ATOM 743 N GLY A 85 0.542 30.706 8.497 1.00 36.24 N ATOM 744 CA GLY A 85 0.792 31.911 7.764 1.00 36.33 C ATOM 745 C GLY A 85 -0.527 32.383 7.212 1.00 35.48 C ATOM 746 O GLY A 85 -1.518 32.478 7.921 1.00 36.03 O ATOM 747 H GLY A 85 0.671 30.717 9.529 1.00 0.00 H ATOM 748 N ARG A 86 -0.545 32.654 5.933 1.00 33.00 N ATOM 749 CA ARG A 86 -1.750 33.077 5.301 1.00 26.74 C ATOM 750 C ARG A 86 -2.584 31.872 4.868 1.00 24.58 C ATOM 751 O ARG A 86 -3.625 32.059 4.410 1.00 23.96 O ATOM 752 CB ARG A 86 -1.448 33.974 4.110 1.00 34.52 C ATOM 753 CG ARG A 86 -0.640 35.207 4.438 1.00 36.37 C ATOM 754 CD ARG A 86 -0.924 36.341 3.492 1.00 42.42 C ATOM 755 NE ARG A 86 -2.297 36.757 3.588 1.00 42.45 N ATOM 756 CZ ARG A 86 -2.891 37.570 2.745 1.00 38.28 C ATOM 757 NH1 ARG A 86 -2.226 38.068 1.742 1.00 52.09 N ATOM 758 NH2 ARG A 86 -4.149 37.878 2.913 1.00 32.79 N ATOM 759 HE ARG A 86 -2.859 36.388 4.381 1.00 0.00 H ATOM 760 HH12 ARG A 86 -2.697 38.712 1.074 1.00 0.00 H ATOM 761 HH11 ARG A 86 -1.224 37.822 1.609 1.00 0.00 H ATOM 762 HH22 ARG A 86 -4.620 38.522 2.246 1.00 0.00 H ATOM 763 HH21 ARG A 86 -4.679 37.479 3.714 1.00 0.00 H ATOM 764 H ARG A 86 0.326 32.560 5.373 1.00 0.00 H ATOM 765 N VAL A 87 -2.127 30.639 5.017 1.00 25.19 N ATOM 766 CA VAL A 87 -2.911 29.473 4.589 1.00 25.15 C ATOM 767 C VAL A 87 -3.807 29.116 5.766 1.00 25.70 C ATOM 768 O VAL A 87 -3.322 28.903 6.853 1.00 29.02 O ATOM 769 CB VAL A 87 -2.017 28.339 4.074 1.00 31.41 C ATOM 770 CG1 VAL A 87 -2.843 27.168 3.636 1.00 25.84 C ATOM 771 CG2 VAL A 87 -1.130 28.839 2.947 1.00 29.84 C ATOM 772 H VAL A 87 -1.191 30.492 5.447 1.00 0.00 H ATOM 773 N VAL A 88 -5.113 29.075 5.530 1.00 25.96 N ATOM 774 CA VAL A 88 -6.072 28.942 6.609 1.00 25.73 C ATOM 775 C VAL A 88 -6.991 27.755 6.419 1.00 26.06 C ATOM 776 O VAL A 88 -7.198 27.305 5.316 1.00 25.58 O ATOM 777 CB VAL A 88 -6.924 30.246 6.759 1.00 25.15 C ATOM 778 CG1 VAL A 88 -6.046 31.416 7.116 1.00 26.15 C ATOM 779 CG2 VAL A 88 -7.707 30.574 5.513 1.00 24.26 C ATOM 780 H VAL A 88 -5.455 29.140 4.550 1.00 0.00 H ATOM 781 N THR A 89 -7.528 27.244 7.516 1.00 27.06 N ATOM 782 CA THR A 89 -8.566 26.234 7.466 1.00 27.57 C ATOM 783 C THR A 89 -9.956 26.801 7.264 1.00 27.02 C ATOM 784 O THR A 89 -10.440 27.620 8.043 1.00 29.76 O ATOM 785 CB THR A 89 -8.601 25.442 8.729 1.00 29.20 C ATOM 786 OG1 THR A 89 -8.723 26.349 9.830 1.00 36.30 O ATOM 787 CG2 THR A 89 -7.350 24.666 8.852 1.00 30.12 C ATOM 788 HG1 THR A 89 -7.947 26.964 9.837 1.00 0.00 H ATOM 789 H THR A 89 -7.194 27.578 8.443 1.00 0.00 H ATOM 790 N GLY A 90 -10.604 26.321 6.220 1.00 26.74 N ATOM 791 CA GLY A 90 -11.938 26.748 5.890 1.00 26.43 C ATOM 792 C GLY A 90 -12.698 25.609 5.277 1.00 26.86 C ATOM 793 O GLY A 90 -12.508 24.463 5.646 1.00 35.77 O ATOM 794 H GLY A 90 -10.137 25.613 5.618 1.00 0.00 H ATOM 795 N LEU A 91 -13.558 25.928 4.327 1.00 26.53 N ATOM 796 CA LEU A 91 -14.424 24.929 3.720 1.00 27.06 C ATOM 797 C LEU A 91 -14.556 25.168 2.226 1.00 26.31 C ATOM 798 O LEU A 91 -14.333 26.265 1.743 1.00 34.22 O ATOM 799 CB LEU A 91 -15.832 24.930 4.367 1.00 34.10 C ATOM 800 CG LEU A 91 -16.024 24.549 5.844 1.00 37.37 C ATOM 801 CD1 LEU A 91 -17.400 24.913 6.313 1.00 45.49 C ATOM 802 CD2 LEU A 91 -15.790 23.090 6.107 1.00 35.62 C ATOM 803 H LEU A 91 -13.618 26.915 4.006 1.00 0.00 H ATOM 804 N THR A 92 -14.923 24.117 1.506 1.00 27.61 N ATOM 805 CA THR A 92 -15.280 24.225 0.111 1.00 26.36 C ATOM 806 C THR A 92 -16.664 24.843 0.036 1.00 29.15 C ATOM 807 O THR A 92 -17.339 24.945 1.048 1.00 31.68 O ATOM 808 CB THR A 92 -15.249 22.855 -0.556 1.00 27.03 C ATOM 809 OG1 THR A 92 -16.211 22.007 0.057 1.00 30.03 O ATOM 810 CG2 THR A 92 -13.901 22.226 -0.401 1.00 28.08 C ATOM 811 HG1 THR A 92 -17.112 22.404 -0.045 1.00 0.00 H ATOM 812 H THR A 92 -14.955 23.183 1.962 1.00 0.00 H ATOM 813 N PRO A 93 -17.103 25.271 -1.159 1.00 26.21 N ATOM 814 CA PRO A 93 -18.445 25.847 -1.282 1.00 26.72 C ATOM 815 C PRO A 93 -19.628 24.960 -0.872 1.00 27.86 C ATOM 816 O PRO A 93 -19.659 23.763 -1.133 1.00 33.77 O ATOM 817 CB PRO A 93 -18.530 26.158 -2.760 1.00 26.66 C ATOM 818 CG PRO A 93 -17.179 26.321 -3.175 1.00 25.85 C ATOM 819 CD PRO A 93 -16.362 25.395 -2.415 1.00 25.72 C ATOM 820 N SER A 94 -20.607 25.591 -0.233 1.00 32.77 N ATOM 821 CA SER A 94 -21.852 24.943 0.119 1.00 35.81 C ATOM 822 C SER A 94 -23.001 25.601 -0.616 1.00 36.70 C ATOM 823 O SER A 94 -22.975 26.798 -0.895 1.00 47.19 O ATOM 824 CB SER A 94 -22.103 25.018 1.621 1.00 41.92 C ATOM 825 OG SER A 94 -22.673 26.263 1.984 1.00 47.59 O ATOM 826 HG SER A 94 -23.536 26.379 1.513 1.00 0.00 H ATOM 827 H SER A 94 -20.473 26.590 0.024 1.00 0.00 H ATOM 828 N GLY A 95 -24.013 24.803 -0.916 1.00 34.44 N ATOM 829 CA GLY A 95 -25.231 25.303 -1.508 1.00 39.00 C ATOM 830 C GLY A 95 -25.367 24.894 -2.946 1.00 34.54 C ATOM 831 O GLY A 95 -24.663 24.020 -3.421 1.00 36.03 O ATOM 832 H GLY A 95 -23.928 23.785 -0.719 1.00 0.00 H ATOM 833 N LYS A 96 -26.276 25.557 -3.642 1.00 40.59 N ATOM 834 CA LYS A 96 -26.613 25.178 -4.999 1.00 33.27 C ATOM 835 C LYS A 96 -25.737 25.923 -5.974 1.00 33.99 C ATOM 836 O LYS A 96 -25.352 27.055 -5.718 1.00 36.10 O ATOM 837 CB LYS A 96 -28.095 25.448 -5.276 1.00 36.17 C ATOM 838 CG LYS A 96 -29.002 24.663 -4.381 1.00 40.84 C ATOM 839 CD LYS A 96 -30.410 25.199 -4.366 1.00 48.41 C ATOM 840 CE LYS A 96 -31.299 24.367 -3.429 1.00 63.72 C ATOM 841 NZ LYS A 96 -31.000 22.883 -3.498 1.00 62.11 N ATOM 842 HZ1 LYS A 96 -31.156 22.544 -4.469 1.00 0.00 H ATOM 843 HZ2 LYS A 96 -30.010 22.717 -3.227 1.00 0.00 H ATOM 844 HZ3 LYS A 96 -31.629 22.373 -2.846 1.00 0.00 H ATOM 845 H LYS A 96 -26.759 26.368 -3.205 1.00 0.00 H ATOM 846 N ALA A 97 -25.420 25.259 -7.083 1.00 38.59 N ATOM 847 CA ALA A 97 -24.642 25.852 -8.156 1.00 33.82 C ATOM 848 C ALA A 97 -25.105 25.349 -9.508 1.00 28.29 C ATOM 849 O ALA A 97 -25.494 24.213 -9.636 1.00 31.95 O ATOM 850 CB ALA A 97 -23.159 25.549 -7.968 1.00 36.38 C ATOM 851 H ALA A 97 -25.743 24.276 -7.185 1.00 0.00 H ATOM 852 N ALA A 98 -25.072 26.213 -10.514 1.00 28.58 N ATOM 853 CA ALA A 98 -25.213 25.798 -11.904 1.00 28.89 C ATOM 854 C ALA A 98 -23.866 25.372 -12.453 1.00 28.26 C ATOM 855 O ALA A 98 -22.989 26.186 -12.610 1.00 28.02 O ATOM 856 CB ALA A 98 -25.781 26.919 -12.734 1.00 29.60 C ATOM 857 H ALA A 98 -24.941 27.223 -10.303 1.00 0.00 H ATOM 858 N SER A 99 -23.717 24.101 -12.779 1.00 28.10 N ATOM 859 CA SER A 99 -22.405 23.529 -13.001 1.00 27.47 C ATOM 860 C SER A 99 -22.255 22.753 -14.310 1.00 27.77 C ATOM 861 O SER A 99 -23.175 22.107 -14.786 1.00 28.33 O ATOM 862 CB SER A 99 -22.067 22.620 -11.833 1.00 27.21 C ATOM 863 OG SER A 99 -20.739 22.168 -11.939 1.00 36.84 O ATOM 864 HG SER A 99 -20.126 22.945 -11.934 1.00 0.00 H ATOM 865 H SER A 99 -24.559 23.499 -12.878 1.00 0.00 H ATOM 866 N SER A 100 -21.063 22.823 -14.878 1.00 32.30 N ATOM 867 CA SER A 100 -20.758 22.120 -16.104 1.00 30.26 C ATOM 868 C SER A 100 -19.298 21.764 -16.116 1.00 31.19 C ATOM 869 O SER A 100 -18.464 22.488 -15.613 1.00 32.91 O ATOM 870 CB SER A 100 -21.082 22.961 -17.335 1.00 31.85 C ATOM 871 OG SER A 100 -20.912 22.228 -18.535 1.00 35.10 O ATOM 872 HG SER A 100 -19.972 21.925 -18.605 1.00 0.00 H ATOM 873 H SER A 100 -20.323 23.401 -14.430 1.00 0.00 H ATOM 874 N LEU A 101 -19.002 20.614 -16.677 1.00 35.08 N ATOM 875 CA LEU A 101 -17.650 20.271 -16.975 1.00 29.73 C ATOM 876 C LEU A 101 -17.227 20.862 -18.313 1.00 27.96 C ATOM 877 O LEU A 101 -17.968 20.870 -19.283 1.00 28.72 O ATOM 878 CB LEU A 101 -17.508 18.772 -16.972 1.00 43.07 C ATOM 879 CG LEU A 101 -16.101 18.277 -17.231 1.00 46.69 C ATOM 880 CD1 LEU A 101 -15.452 17.877 -15.915 1.00 36.72 C ATOM 881 CD2 LEU A 101 -16.137 17.140 -18.267 1.00 52.80 C ATOM 882 H LEU A 101 -19.764 19.944 -16.907 1.00 0.00 H ATOM 883 N TYR A 102 -16.016 21.386 -18.325 1.00 28.00 N ATOM 884 CA TYR A 102 -15.434 21.949 -19.516 1.00 28.70 C ATOM 885 C TYR A 102 -14.112 21.271 -19.822 1.00 28.64 C ATOM 886 O TYR A 102 -13.344 20.966 -18.914 1.00 33.17 O ATOM 887 CB TYR A 102 -15.227 23.423 -19.319 1.00 28.75 C ATOM 888 CG TYR A 102 -14.416 24.020 -20.404 1.00 34.08 C ATOM 889 CD1 TYR A 102 -14.837 23.949 -21.709 1.00 38.27 C ATOM 890 CD2 TYR A 102 -13.222 24.657 -20.125 1.00 41.35 C ATOM 891 CE1 TYR A 102 -14.095 24.494 -22.716 1.00 37.63 C ATOM 892 CE2 TYR A 102 -12.469 25.209 -21.123 1.00 39.51 C ATOM 893 CZ TYR A 102 -12.908 25.125 -22.423 1.00 35.21 C ATOM 894 OH TYR A 102 -12.169 25.678 -23.451 1.00 38.75 O ATOM 895 HH TYR A 102 -12.071 26.651 -23.299 1.00 0.00 H ATOM 896 H TYR A 102 -15.463 21.393 -17.444 1.00 0.00 H ATOM 897 N ILE A 103 -13.870 21.017 -21.104 1.00 31.66 N ATOM 898 CA ILE A 103 -12.597 20.463 -21.583 1.00 31.41 C ATOM 899 C ILE A 103 -12.001 21.329 -22.690 1.00 30.52 C ATOM 900 O ILE A 103 -12.626 21.538 -23.718 1.00 37.76 O ATOM 901 CB ILE A 103 -12.756 19.030 -22.114 1.00 32.73 C ATOM 902 CG1 ILE A 103 -13.411 18.154 -21.044 1.00 36.58 C ATOM 903 CG2 ILE A 103 -11.405 18.471 -22.507 1.00 30.12 C ATOM 904 CD1 ILE A 103 -13.550 16.712 -21.396 1.00 31.88 C ATOM 905 H ILE A 103 -14.616 21.220 -21.800 1.00 0.00 H ATOM 906 N GLY A 104 -10.793 21.830 -22.471 1.00 30.11 N ATOM 907 CA GLY A 104 -10.147 22.732 -23.406 1.00 31.09 C ATOM 908 C GLY A 104 -9.241 23.703 -22.669 1.00 34.27 C ATOM 909 O GLY A 104 -9.106 23.589 -21.451 1.00 34.84 O ATOM 910 H GLY A 104 -10.291 21.567 -21.599 1.00 0.00 H ATOM 911 N PRO A 105 -8.604 24.659 -23.392 1.00 33.75 N ATOM 912 CA PRO A 105 -7.799 25.686 -22.718 1.00 32.79 C ATOM 913 C PRO A 105 -8.615 26.654 -21.855 1.00 35.22 C ATOM 914 O PRO A 105 -9.736 26.993 -22.217 1.00 42.08 O ATOM 915 CB PRO A 105 -7.148 26.431 -23.889 1.00 32.93 C ATOM 916 CG PRO A 105 -8.006 26.168 -25.029 1.00 33.73 C ATOM 917 CD PRO A 105 -8.499 24.789 -24.853 1.00 33.06 C ATOM 918 N TYR A 106 -8.044 27.089 -20.733 1.00 30.30 N ATOM 919 CA TYR A 106 -8.690 28.067 -19.851 1.00 29.89 C ATOM 920 C TYR A 106 -9.069 29.338 -20.604 1.00 31.51 C ATOM 921 O TYR A 106 -9.942 30.080 -20.170 1.00 41.70 O ATOM 922 CB TYR A 106 -7.780 28.460 -18.672 1.00 29.29 C ATOM 923 CG TYR A 106 -7.401 27.345 -17.734 1.00 28.25 C ATOM 924 CD1 TYR A 106 -8.319 26.394 -17.348 1.00 27.56 C ATOM 925 CD2 TYR A 106 -6.117 27.250 -17.230 1.00 28.05 C ATOM 926 CE1 TYR A 106 -7.968 25.383 -16.498 1.00 26.71 C ATOM 927 CE2 TYR A 106 -5.766 26.239 -16.381 1.00 27.16 C ATOM 928 CZ TYR A 106 -6.702 25.315 -16.022 1.00 26.50 C ATOM 929 OH TYR A 106 -6.387 24.298 -15.184 1.00 25.70 O ATOM 930 HH TYR A 106 -7.186 23.732 -15.039 1.00 0.00 H ATOM 931 H TYR A 106 -7.106 26.722 -20.473 1.00 0.00 H ATOM 932 N GLY A 107 -8.403 29.595 -21.730 1.00 47.32 N ATOM 933 CA GLY A 107 -8.603 30.825 -22.485 1.00 44.63 C ATOM 934 C GLY A 107 -9.964 30.899 -23.123 1.00 38.95 C ATOM 935 O GLY A 107 -10.557 31.953 -23.214 1.00 45.62 O ATOM 936 H GLY A 107 -7.719 28.895 -22.081 1.00 0.00 H ATOM 937 N GLU A 108 -10.460 29.753 -23.552 1.00 41.02 N ATOM 938 CA GLU A 108 -11.748 29.659 -24.202 1.00 38.65 C ATOM 939 C GLU A 108 -12.873 29.308 -23.199 1.00 42.18 C ATOM 940 O GLU A 108 -13.978 28.948 -23.581 1.00 53.24 O ATOM 941 CB GLU A 108 -11.646 28.621 -25.337 1.00 43.94 C ATOM 942 CG GLU A 108 -10.644 29.028 -26.452 1.00 51.68 C ATOM 943 CD GLU A 108 -10.160 27.866 -27.316 1.00 49.95 C ATOM 944 OE1 GLU A 108 -10.656 26.733 -27.156 1.00 57.17 O ATOM 945 OE2 GLU A 108 -9.268 28.087 -28.167 1.00 51.26 O ATOM 946 H GLU A 108 -9.903 28.885 -23.417 1.00 0.00 H ATOM 947 N ILE A 109 -12.589 29.442 -21.910 1.00 35.58 N ATOM 948 CA ILE A 109 -13.532 29.074 -20.851 1.00 31.00 C ATOM 949 C ILE A 109 -14.712 30.029 -20.752 1.00 31.37 C ATOM 950 O ILE A 109 -15.716 29.714 -20.136 1.00 39.87 O ATOM 951 CB ILE A 109 -12.823 29.010 -19.472 1.00 34.27 C ATOM 952 CG1 ILE A 109 -13.668 28.249 -18.464 1.00 37.18 C ATOM 953 CG2 ILE A 109 -12.554 30.394 -18.911 1.00 52.82 C ATOM 954 CD1 ILE A 109 -12.863 27.403 -17.534 1.00 41.49 C ATOM 955 H ILE A 109 -11.660 29.824 -21.641 1.00 0.00 H ATOM 956 N GLU A 110 -14.583 31.195 -21.368 1.00 39.72 N ATOM 957 CA GLU A 110 -15.613 32.230 -21.337 1.00 46.28 C ATOM 958 C GLU A 110 -16.927 31.701 -21.896 1.00 42.94 C ATOM 959 O GLU A 110 -18.006 32.050 -21.443 1.00 41.85 O ATOM 960 CB GLU A 110 -15.136 33.452 -22.137 1.00 52.03 C ATOM 961 CG GLU A 110 -16.128 34.622 -22.254 1.00 59.27 C ATOM 962 CD GLU A 110 -15.934 35.478 -23.533 1.00 72.67 C ATOM 963 OE1 GLU A 110 -14.820 35.470 -24.127 1.00 76.45 O ATOM 964 OE2 GLU A 110 -16.912 36.160 -23.937 1.00 58.52 O ATOM 965 H GLU A 110 -13.708 31.382 -21.898 1.00 0.00 H ATOM 966 N ALA A 111 -16.808 30.839 -22.887 1.00 33.79 N ATOM 967 CA ALA A 111 -17.951 30.272 -23.553 1.00 33.61 C ATOM 968 C ALA A 111 -18.845 29.472 -22.630 1.00 32.78 C ATOM 969 O ALA A 111 -20.052 29.440 -22.811 1.00 36.12 O ATOM 970 CB ALA A 111 -17.476 29.417 -24.642 1.00 43.75 C ATOM 971 H ALA A 111 -15.856 30.559 -23.198 1.00 0.00 H ATOM 972 N VAL A 112 -18.227 28.798 -21.666 1.00 37.21 N ATOM 973 CA VAL A 112 -18.930 27.951 -20.710 1.00 31.78 C ATOM 974 C VAL A 112 -19.655 28.810 -19.695 1.00 31.56 C ATOM 975 O VAL A 112 -20.736 28.468 -19.238 1.00 36.47 O ATOM 976 CB VAL A 112 -17.964 26.999 -19.956 1.00 35.05 C ATOM 977 CG1 VAL A 112 -18.732 26.027 -19.074 1.00 40.89 C ATOM 978 CG2 VAL A 112 -17.082 26.251 -20.917 1.00 40.13 C ATOM 979 H VAL A 112 -17.193 28.878 -21.590 1.00 0.00 H ATOM 980 N TYR A 113 -19.040 29.917 -19.320 1.00 30.66 N ATOM 981 CA TYR A 113 -19.727 30.895 -18.514 1.00 30.70 C ATOM 982 C TYR A 113 -20.932 31.494 -19.276 1.00 31.64 C ATOM 983 O TYR A 113 -22.000 31.626 -18.714 1.00 31.68 O ATOM 984 CB TYR A 113 -18.746 31.967 -18.089 1.00 30.68 C ATOM 985 CG TYR A 113 -17.853 31.608 -16.919 1.00 29.74 C ATOM 986 CD1 TYR A 113 -18.216 31.931 -15.636 1.00 37.93 C ATOM 987 CD2 TYR A 113 -16.643 30.964 -17.100 1.00 29.37 C ATOM 988 CE1 TYR A 113 -17.421 31.622 -14.567 1.00 41.44 C ATOM 989 CE2 TYR A 113 -15.827 30.665 -16.032 1.00 28.57 C ATOM 990 CZ TYR A 113 -16.230 30.996 -14.762 1.00 35.76 C ATOM 991 OH TYR A 113 -15.462 30.712 -13.649 1.00 43.75 O ATOM 992 HH TYR A 113 -14.587 31.168 -13.728 1.00 0.00 H ATOM 993 H TYR A 113 -18.055 30.084 -19.608 1.00 0.00 H ATOM 994 N ASP A 114 -20.755 31.826 -20.558 1.00 43.60 N ATOM 995 CA ASP A 114 -21.847 32.325 -21.414 1.00 38.72 C ATOM 996 C ASP A 114 -23.039 31.376 -21.359 1.00 35.41 C ATOM 997 O ASP A 114 -24.164 31.783 -21.073 1.00 37.16 O ATOM 998 CB ASP A 114 -21.409 32.479 -22.897 1.00 36.37 C ATOM 999 CG ASP A 114 -20.430 33.637 -23.139 1.00 39.77 C ATOM 1000 OD1 ASP A 114 -20.370 34.590 -22.338 1.00 45.86 O ATOM 1001 OD2 ASP A 114 -19.725 33.601 -24.170 1.00 41.29 O ATOM 1002 H ASP A 114 -19.805 31.728 -20.970 1.00 0.00 H ATOM 1003 N ALA A 115 -22.764 30.114 -21.678 1.00 34.65 N ATOM 1004 CA ALA A 115 -23.769 29.076 -21.811 1.00 34.23 C ATOM 1005 C ALA A 115 -24.432 28.798 -20.483 1.00 33.61 C ATOM 1006 O ALA A 115 -25.620 28.522 -20.429 1.00 35.49 O ATOM 1007 CB ALA A 115 -23.143 27.826 -22.360 1.00 34.05 C ATOM 1008 H ALA A 115 -21.770 29.856 -21.842 1.00 0.00 H ATOM 1009 N LEU A 116 -23.655 28.886 -19.408 1.00 33.02 N ATOM 1010 CA LEU A 116 -24.177 28.685 -18.065 1.00 31.30 C ATOM 1011 C LEU A 116 -25.089 29.809 -17.652 1.00 31.80 C ATOM 1012 O LEU A 116 -26.054 29.598 -16.931 1.00 32.50 O ATOM 1013 CB LEU A 116 -23.041 28.566 -17.064 1.00 31.01 C ATOM 1014 CG LEU A 116 -22.535 27.156 -16.774 1.00 34.32 C ATOM 1015 CD1 LEU A 116 -21.321 27.220 -15.861 1.00 33.36 C ATOM 1016 CD2 LEU A 116 -23.630 26.287 -16.172 1.00 29.70 C ATOM 1017 H LEU A 116 -22.646 29.105 -19.530 1.00 0.00 H ATOM 1018 N MET A 117 -24.773 31.016 -18.103 1.00 39.12 N ATOM 1019 CA MET A 117 -25.599 32.174 -17.802 1.00 35.67 C ATOM 1020 C MET A 117 -26.886 32.166 -18.609 1.00 36.59 C ATOM 1021 O MET A 117 -27.909 32.639 -18.130 1.00 39.86 O ATOM 1022 CB MET A 117 -24.822 33.467 -18.043 1.00 36.58 C ATOM 1023 CG MET A 117 -23.795 33.751 -16.939 1.00 41.36 C ATOM 1024 SD MET A 117 -23.026 35.393 -16.938 1.00 52.70 S ATOM 1025 CE MET A 117 -22.450 35.526 -18.625 1.00 57.50 C ATOM 1026 H MET A 117 -23.918 31.136 -18.683 1.00 0.00 H ATOM 1027 N LYS A 118 -26.854 31.621 -19.822 1.00 36.01 N ATOM 1028 CA LYS A 118 -28.079 31.477 -20.607 1.00 34.92 C ATOM 1029 C LYS A 118 -28.966 30.409 -19.975 1.00 34.73 C ATOM 1030 O LYS A 118 -30.176 30.560 -19.911 1.00 35.39 O ATOM 1031 CB LYS A 118 -27.770 31.128 -22.068 1.00 35.46 C ATOM 1032 H LYS A 118 -25.949 31.294 -20.216 1.00 0.00 H ATOM 1033 N TRP A 119 -28.349 29.344 -19.486 1.00 34.16 N ATOM 1034 CA TRP A 119 -29.065 28.205 -18.928 1.00 34.03 C ATOM 1035 C TRP A 119 -29.708 28.536 -17.584 1.00 33.92 C ATOM 1036 O TRP A 119 -30.754 28.002 -17.243 1.00 34.75 O ATOM 1037 CB TRP A 119 -28.103 27.021 -18.803 1.00 35.87 C ATOM 1038 CG TRP A 119 -28.679 25.724 -18.310 1.00 33.16 C ATOM 1039 CD1 TRP A 119 -29.204 24.716 -19.064 1.00 33.68 C ATOM 1040 CD2 TRP A 119 -28.747 25.286 -16.953 1.00 37.32 C ATOM 1041 NE1 TRP A 119 -29.604 23.685 -18.256 1.00 33.51 N ATOM 1042 CE2 TRP A 119 -29.337 24.013 -16.952 1.00 38.95 C ATOM 1043 CE3 TRP A 119 -28.372 25.852 -15.733 1.00 40.06 C ATOM 1044 CZ2 TRP A 119 -29.566 23.303 -15.780 1.00 37.64 C ATOM 1045 CZ3 TRP A 119 -28.598 25.152 -14.582 1.00 39.84 C ATOM 1046 CH2 TRP A 119 -29.187 23.893 -14.608 1.00 42.98 C ATOM 1047 HE1 TRP A 119 -30.039 22.798 -18.579 1.00 0.00 H ATOM 1048 H TRP A 119 -27.309 29.320 -19.501 1.00 0.00 H ATOM 1049 N VAL A 120 -29.092 29.441 -16.839 1.00 33.25 N ATOM 1050 CA VAL A 120 -29.592 29.882 -15.534 1.00 33.22 C ATOM 1051 C VAL A 120 -30.819 30.771 -15.674 1.00 34.25 C ATOM 1052 O VAL A 120 -31.787 30.703 -14.917 1.00 34.66 O ATOM 1053 CB VAL A 120 -28.474 30.638 -14.780 1.00 32.54 C ATOM 1054 CG1 VAL A 120 -29.016 31.541 -13.693 1.00 38.04 C ATOM 1055 CG2 VAL A 120 -27.495 29.665 -14.193 1.00 32.30 C ATOM 1056 H VAL A 120 -28.210 29.859 -17.198 1.00 0.00 H ATOM 1057 N ASP A 121 -30.721 31.631 -16.663 1.00 45.71 N ATOM 1058 CA ASP A 121 -31.754 32.560 -17.035 1.00 42.07 C ATOM 1059 C ASP A 121 -32.994 31.826 -17.546 1.00 43.23 C ATOM 1060 O ASP A 121 -34.096 32.035 -17.049 1.00 44.41 O ATOM 1061 CB ASP A 121 -31.160 33.500 -18.077 1.00 42.40 C ATOM 1062 CG ASP A 121 -32.033 34.667 -18.375 1.00 58.81 C ATOM 1063 OD1 ASP A 121 -32.226 35.514 -17.472 1.00 59.99 O ATOM 1064 OD2 ASP A 121 -32.505 34.749 -19.530 1.00 73.31 O ATOM 1065 H ASP A 121 -29.838 31.640 -17.213 1.00 0.00 H ATOM 1066 N ASP A 122 -32.802 30.948 -18.519 1.00 40.73 N ATOM 1067 CA ASP A 122 -33.870 30.095 -19.017 1.00 41.43 C ATOM 1068 C ASP A 122 -34.624 29.298 -17.941 1.00 41.44 C ATOM 1069 O ASP A 122 -35.840 29.180 -17.993 1.00 48.67 O ATOM 1070 CB ASP A 122 -33.293 29.120 -20.036 1.00 48.64 C ATOM 1071 CG ASP A 122 -32.691 29.818 -21.225 1.00 61.54 C ATOM 1072 OD1 ASP A 122 -32.862 31.054 -21.322 1.00 63.49 O ATOM 1073 OD2 ASP A 122 -32.050 29.131 -22.057 1.00 66.31 O ATOM 1074 H ASP A 122 -31.855 30.866 -18.941 1.00 0.00 H ATOM 1075 N ASN A 123 -33.900 28.738 -16.985 1.00 38.75 N ATOM 1076 CA ASN A 123 -34.495 27.913 -15.936 1.00 42.50 C ATOM 1077 C ASN A 123 -34.822 28.720 -14.683 1.00 44.40 C ATOM 1078 O ASN A 123 -35.158 28.171 -13.635 1.00 46.89 O ATOM 1079 CB ASN A 123 -33.559 26.752 -15.582 1.00 48.93 C ATOM 1080 CG ASN A 123 -33.392 25.766 -16.722 1.00 49.85 C ATOM 1081 OD1 ASN A 123 -34.082 24.750 -16.792 1.00 52.73 O ATOM 1082 ND2 ASN A 123 -32.477 26.066 -17.624 1.00 48.51 N ATOM 1083 HD22 ASN A 123 -31.916 26.936 -17.526 1.00 0.00 H ATOM 1084 HD21 ASN A 123 -32.317 25.433 -18.433 1.00 0.00 H ATOM 1085 H ASN A 123 -32.871 28.891 -16.980 1.00 0.00 H ATOM 1086 N GLY A 124 -34.710 30.034 -14.796 1.00 59.89 N ATOM 1087 CA GLY A 124 -35.271 30.929 -13.801 1.00 60.00 C ATOM 1088 C GLY A 124 -34.562 30.888 -12.479 1.00 49.06 C ATOM 1089 O GLY A 124 -35.178 31.016 -11.422 1.00 54.98 O ATOM 1090 H GLY A 124 -34.209 30.434 -15.615 1.00 0.00 H ATOM 1091 N PHE A 125 -33.252 30.720 -12.551 1.00 40.70 N ATOM 1092 CA PHE A 125 -32.422 30.708 -11.364 1.00 41.89 C ATOM 1093 C PHE A 125 -31.750 32.055 -11.188 1.00 36.41 C ATOM 1094 O PHE A 125 -31.648 32.840 -12.133 1.00 36.60 O ATOM 1095 CB PHE A 125 -31.393 29.595 -11.470 1.00 49.17 C ATOM 1096 CG PHE A 125 -31.998 28.237 -11.558 1.00 48.01 C ATOM 1097 CD1 PHE A 125 -32.949 27.835 -10.645 1.00 45.19 C ATOM 1098 CD2 PHE A 125 -31.630 27.368 -12.575 1.00 43.67 C ATOM 1099 CE1 PHE A 125 -33.504 26.587 -10.736 1.00 49.86 C ATOM 1100 CE2 PHE A 125 -32.177 26.128 -12.669 1.00 37.90 C ATOM 1101 CZ PHE A 125 -33.120 25.729 -11.750 1.00 45.86 C ATOM 1102 H PHE A 125 -32.807 30.593 -13.482 1.00 0.00 H ATOM 1103 N ASP A 126 -31.315 32.325 -9.965 1.00 43.93 N ATOM 1104 CA ASP A 126 -30.691 33.602 -9.637 1.00 53.74 C ATOM 1105 C ASP A 126 -29.278 33.397 -9.073 1.00 45.19 C ATOM 1106 O ASP A 126 -29.048 32.483 -8.282 1.00 44.73 O ATOM 1107 CB ASP A 126 -31.576 34.368 -8.651 1.00 56.94 C ATOM 1108 CG ASP A 126 -32.825 34.930 -9.310 1.00 56.51 C ATOM 1109 OD1 ASP A 126 -33.850 34.216 -9.369 1.00 54.75 O ATOM 1110 OD2 ASP A 126 -32.776 36.085 -9.779 1.00 62.72 O ATOM 1111 H ASP A 126 -31.421 31.607 -9.220 1.00 0.00 H ATOM 1112 N LEU A 127 -28.340 34.245 -9.499 1.00 40.00 N ATOM 1113 CA LEU A 127 -26.927 34.079 -9.168 1.00 37.75 C ATOM 1114 C LEU A 127 -26.454 34.945 -7.997 1.00 32.92 C ATOM 1115 O LEU A 127 -26.943 36.050 -7.789 1.00 33.70 O ATOM 1116 CB LEU A 127 -26.094 34.387 -10.405 1.00 36.63 C ATOM 1117 CG LEU A 127 -26.400 33.500 -11.617 1.00 36.88 C ATOM 1118 CD1 LEU A 127 -25.533 33.850 -12.797 1.00 32.78 C ATOM 1119 CD2 LEU A 127 -26.224 32.034 -11.302 1.00 46.27 C ATOM 1120 H LEU A 127 -28.625 35.053 -10.088 1.00 0.00 H ATOM 1121 N SER A 128 -25.504 34.423 -7.228 1.00 31.29 N ATOM 1122 CA SER A 128 -24.900 35.169 -6.125 1.00 34.14 C ATOM 1123 C SER A 128 -23.786 36.084 -6.632 1.00 37.42 C ATOM 1124 O SER A 128 -23.480 37.090 -6.011 1.00 41.03 O ATOM 1125 CB SER A 128 -24.356 34.213 -5.064 1.00 30.52 C ATOM 1126 OG SER A 128 -23.149 33.614 -5.469 1.00 29.86 O ATOM 1127 HG SER A 128 -22.830 33.004 -4.758 1.00 0.00 H ATOM 1128 H SER A 128 -25.180 33.453 -7.417 1.00 0.00 H ATOM 1129 N GLY A 129 -23.205 35.730 -7.776 1.00 30.83 N ATOM 1130 CA GLY A 129 -22.162 36.513 -8.403 1.00 30.50 C ATOM 1131 C GLY A 129 -20.852 35.792 -8.282 1.00 29.60 C ATOM 1132 O GLY A 129 -19.861 36.194 -8.867 1.00 29.58 O ATOM 1133 H GLY A 129 -23.514 34.852 -8.240 1.00 0.00 H ATOM 1134 N GLU A 130 -20.877 34.695 -7.540 1.00 28.94 N ATOM 1135 CA GLU A 130 -19.691 33.943 -7.270 1.00 28.09 C ATOM 1136 C GLU A 130 -19.521 32.782 -8.230 1.00 27.66 C ATOM 1137 O GLU A 130 -20.461 32.086 -8.555 1.00 27.76 O ATOM 1138 CB GLU A 130 -19.721 33.425 -5.846 1.00 28.57 C ATOM 1139 CG GLU A 130 -18.426 32.753 -5.447 1.00 35.34 C ATOM 1140 CD GLU A 130 -18.488 32.171 -4.073 1.00 33.29 C ATOM 1141 OE1 GLU A 130 -19.566 31.712 -3.680 1.00 37.73 O ATOM 1142 OE2 GLU A 130 -17.456 32.174 -3.381 1.00 32.64 O ATOM 1143 H GLU A 130 -21.783 34.372 -7.144 1.00 0.00 H ATOM 1144 N ALA A 131 -18.289 32.584 -8.656 1.00 27.25 N ATOM 1145 CA ALA A 131 -17.927 31.502 -9.532 1.00 26.88 C ATOM 1146 C ALA A 131 -16.987 30.564 -8.809 1.00 26.06 C ATOM 1147 O ALA A 131 -16.212 30.979 -7.982 1.00 25.83 O ATOM 1148 CB ALA A 131 -17.277 32.025 -10.776 1.00 28.35 C ATOM 1149 H ALA A 131 -17.545 33.240 -8.344 1.00 0.00 H ATOM 1150 N TYR A 132 -17.051 29.295 -9.164 1.00 25.70 N ATOM 1151 CA TYR A 132 -16.314 28.239 -8.493 1.00 24.97 C ATOM 1152 C TYR A 132 -15.726 27.336 -9.545 1.00 24.80 C ATOM 1153 O TYR A 132 -16.458 26.752 -10.310 1.00 25.06 O ATOM 1154 CB TYR A 132 -17.271 27.505 -7.559 1.00 24.84 C ATOM 1155 CG TYR A 132 -16.797 26.235 -6.909 1.00 26.58 C ATOM 1156 CD1 TYR A 132 -15.554 26.133 -6.343 1.00 29.47 C ATOM 1157 CD2 TYR A 132 -17.641 25.155 -6.808 1.00 25.57 C ATOM 1158 CE1 TYR A 132 -15.155 24.988 -5.734 1.00 23.79 C ATOM 1159 CE2 TYR A 132 -17.253 24.011 -6.196 1.00 25.23 C ATOM 1160 CZ TYR A 132 -16.012 23.932 -5.659 1.00 26.77 C ATOM 1161 OH TYR A 132 -15.657 22.766 -5.038 1.00 33.11 O ATOM 1162 HH TYR A 132 -16.276 22.592 -4.285 1.00 0.00 H ATOM 1163 H TYR A 132 -17.661 29.038 -9.966 1.00 0.00 H ATOM 1164 N GLU A 133 -14.403 27.272 -9.618 1.00 24.49 N ATOM 1165 CA GLU A 133 -13.708 26.423 -10.583 1.00 24.42 C ATOM 1166 C GLU A 133 -12.858 25.349 -9.912 1.00 23.74 C ATOM 1167 O GLU A 133 -12.132 25.606 -8.973 1.00 23.38 O ATOM 1168 CB GLU A 133 -12.821 27.258 -11.495 1.00 24.86 C ATOM 1169 CG GLU A 133 -13.486 28.453 -12.128 1.00 25.64 C ATOM 1170 CD GLU A 133 -12.590 29.156 -13.104 1.00 30.70 C ATOM 1171 OE1 GLU A 133 -11.364 28.950 -13.058 1.00 33.96 O ATOM 1172 OE2 GLU A 133 -13.109 29.924 -13.924 1.00 36.45 O ATOM 1173 H GLU A 133 -13.838 27.849 -8.962 1.00 0.00 H ATOM 1174 N ILE A 134 -12.972 24.132 -10.415 1.00 23.65 N ATOM 1175 CA ILE A 134 -12.163 23.026 -9.949 1.00 26.02 C ATOM 1176 C ILE A 134 -11.239 22.599 -11.076 1.00 25.53 C ATOM 1177 O ILE A 134 -11.671 22.305 -12.183 1.00 30.85 O ATOM 1178 CB ILE A 134 -13.016 21.822 -9.472 1.00 26.21 C ATOM 1179 CG1 ILE A 134 -14.057 22.260 -8.441 1.00 27.87 C ATOM 1180 CG2 ILE A 134 -12.121 20.739 -8.873 1.00 22.41 C ATOM 1181 CD1 ILE A 134 -15.000 21.189 -8.023 1.00 27.46 C ATOM 1182 H ILE A 134 -13.666 23.964 -11.171 1.00 0.00 H ATOM 1183 N TYR A 135 -9.952 22.585 -10.762 1.00 28.79 N ATOM 1184 CA TYR A 135 -8.906 22.295 -11.719 1.00 24.14 C ATOM 1185 C TYR A 135 -8.523 20.831 -11.559 1.00 23.42 C ATOM 1186 O TYR A 135 -7.759 20.455 -10.690 1.00 28.57 O ATOM 1187 CB TYR A 135 -7.750 23.263 -11.504 1.00 23.45 C ATOM 1188 CG TYR A 135 -8.246 24.682 -11.540 1.00 28.64 C ATOM 1189 CD1 TYR A 135 -8.871 25.180 -12.668 1.00 26.46 C ATOM 1190 CD2 TYR A 135 -8.135 25.505 -10.437 1.00 29.81 C ATOM 1191 CE1 TYR A 135 -9.348 26.462 -12.708 1.00 24.93 C ATOM 1192 CE2 TYR A 135 -8.613 26.787 -10.463 1.00 26.54 C ATOM 1193 CZ TYR A 135 -9.217 27.262 -11.600 1.00 27.28 C ATOM 1194 OH TYR A 135 -9.689 28.543 -11.627 1.00 29.54 O ATOM 1195 HH TYR A 135 -10.092 28.726 -12.512 1.00 0.00 H ATOM 1196 H TYR A 135 -9.680 22.793 -9.780 1.00 0.00 H ATOM 1197 N LEU A 136 -9.138 20.005 -12.389 1.00 27.12 N ATOM 1198 CA LEU A 136 -9.087 18.561 -12.244 1.00 34.28 C ATOM 1199 C LEU A 136 -7.762 18.034 -12.721 1.00 29.32 C ATOM 1200 O LEU A 136 -7.262 17.003 -12.267 1.00 28.70 O ATOM 1201 CB LEU A 136 -10.220 17.905 -13.034 1.00 36.21 C ATOM 1202 CG LEU A 136 -11.659 18.188 -12.589 1.00 31.63 C ATOM 1203 CD1 LEU A 136 -12.618 17.446 -13.463 1.00 38.56 C ATOM 1204 CD2 LEU A 136 -11.897 17.811 -11.164 1.00 27.98 C ATOM 1205 H LEU A 136 -9.681 20.407 -13.179 1.00 0.00 H ATOM 1206 N ASP A 137 -7.202 18.787 -13.649 1.00 35.16 N ATOM 1207 CA ASP A 137 -5.916 18.484 -14.231 1.00 37.73 C ATOM 1208 C ASP A 137 -4.976 19.644 -13.990 1.00 28.51 C ATOM 1209 O ASP A 137 -5.386 20.809 -13.949 1.00 32.59 O ATOM 1210 CB ASP A 137 -6.032 18.226 -15.741 1.00 42.60 C ATOM 1211 CG ASP A 137 -6.826 16.977 -16.090 1.00 31.53 C ATOM 1212 OD1 ASP A 137 -6.575 15.887 -15.539 1.00 34.51 O ATOM 1213 OD2 ASP A 137 -7.689 17.097 -16.964 1.00 33.06 O ATOM 1214 H ASP A 137 -7.709 19.635 -13.975 1.00 0.00 H ATOM 1215 N ASN A 138 -3.713 19.287 -13.832 1.00 30.72 N ATOM 1216 CA ASN A 138 -2.608 20.226 -13.757 1.00 39.52 C ATOM 1217 C ASN A 138 -2.312 20.657 -15.176 1.00 41.98 C ATOM 1218 O ASN A 138 -1.985 19.811 -15.996 1.00 46.83 O ATOM 1219 CB ASN A 138 -1.400 19.549 -13.094 1.00 41.26 C ATOM 1220 CG ASN A 138 -0.184 20.441 -12.998 1.00 45.28 C ATOM 1221 OD1 ASN A 138 -0.057 21.429 -13.694 1.00 43.94 O ATOM 1222 ND2 ASN A 138 0.732 20.070 -12.130 1.00 56.43 N ATOM 1223 HD22 ASN A 138 0.586 19.218 -11.552 1.00 0.00 H ATOM 1224 HD21 ASN A 138 1.602 20.629 -12.021 1.00 0.00 H ATOM 1225 H ASN A 138 -3.498 18.272 -13.757 1.00 0.00 H ATOM 1226 N PRO A 139 -2.468 21.954 -15.487 1.00 38.28 N ATOM 1227 CA PRO A 139 -2.344 22.388 -16.882 1.00 37.92 C ATOM 1228 C PRO A 139 -0.931 22.229 -17.457 1.00 35.74 C ATOM 1229 O PRO A 139 -0.755 22.004 -18.651 1.00 36.30 O ATOM 1230 CB PRO A 139 -2.755 23.863 -16.821 1.00 29.68 C ATOM 1231 CG PRO A 139 -2.529 24.264 -15.447 1.00 29.27 C ATOM 1232 CD PRO A 139 -2.836 23.075 -14.612 1.00 31.54 C ATOM 1233 N ALA A 140 0.065 22.331 -16.594 1.00 31.05 N ATOM 1234 CA ALA A 140 1.443 22.141 -16.984 1.00 35.80 C ATOM 1235 C ALA A 140 1.679 20.776 -17.624 1.00 34.31 C ATOM 1236 O ALA A 140 2.469 20.646 -18.566 1.00 34.40 O ATOM 1237 CB ALA A 140 2.346 22.313 -15.768 1.00 40.79 C ATOM 1238 H ALA A 140 -0.150 22.555 -15.602 1.00 0.00 H ATOM 1239 N GLU A 141 0.980 19.771 -17.106 1.00 33.45 N ATOM 1240 CA GLU A 141 1.229 18.377 -17.439 1.00 33.98 C ATOM 1241 C GLU A 141 0.174 17.765 -18.309 1.00 33.91 C ATOM 1242 O GLU A 141 0.180 16.562 -18.532 1.00 34.71 O ATOM 1243 CB GLU A 141 1.319 17.558 -16.173 1.00 38.91 C ATOM 1244 CG GLU A 141 2.293 18.085 -15.187 1.00 49.31 C ATOM 1245 CD GLU A 141 2.375 17.188 -13.985 1.00 52.57 C ATOM 1246 OE1 GLU A 141 1.369 16.505 -13.709 1.00 54.14 O ATOM 1247 OE2 GLU A 141 3.435 17.150 -13.328 1.00 56.60 O ATOM 1248 H GLU A 141 0.220 19.992 -16.431 1.00 0.00 H ATOM 1249 N THR A 142 -0.742 18.592 -18.789 1.00 33.04 N ATOM 1250 CA THR A 142 -1.933 18.098 -19.449 1.00 32.82 C ATOM 1251 C THR A 142 -2.124 18.834 -20.765 1.00 33.02 C ATOM 1252 O THR A 142 -2.005 20.059 -20.846 1.00 32.56 O ATOM 1253 CB THR A 142 -3.204 18.247 -18.564 1.00 31.53 C ATOM 1254 OG1 THR A 142 -2.986 17.678 -17.274 1.00 31.39 O ATOM 1255 CG2 THR A 142 -4.331 17.519 -19.176 1.00 31.55 C ATOM 1256 HG1 THR A 142 -2.772 16.716 -17.371 1.00 0.00 H ATOM 1257 H THR A 142 -0.603 19.618 -18.690 1.00 0.00 H ATOM 1258 N ALA A 143 -2.381 18.044 -21.796 1.00 33.86 N ATOM 1259 CA ALA A 143 -2.588 18.560 -23.118 1.00 34.28 C ATOM 1260 C ALA A 143 -3.765 19.482 -23.046 1.00 33.04 C ATOM 1261 O ALA A 143 -4.716 19.189 -22.334 1.00 33.38 O ATOM 1262 CB ALA A 143 -2.839 17.456 -24.082 1.00 35.38 C ATOM 1263 H ALA A 143 -2.434 17.017 -21.642 1.00 0.00 H ATOM 1264 N PRO A 144 -3.718 20.608 -23.768 1.00 35.11 N ATOM 1265 CA PRO A 144 -4.867 21.515 -23.744 1.00 38.65 C ATOM 1266 C PRO A 144 -6.206 20.877 -24.190 1.00 37.86 C ATOM 1267 O PRO A 144 -7.221 21.104 -23.556 1.00 34.49 O ATOM 1268 CB PRO A 144 -4.434 22.610 -24.711 1.00 37.60 C ATOM 1269 CG PRO A 144 -2.982 22.602 -24.629 1.00 33.24 C ATOM 1270 CD PRO A 144 -2.607 21.184 -24.537 1.00 33.98 C ATOM 1271 N ASP A 145 -6.200 20.065 -25.242 1.00 42.62 N ATOM 1272 CA ASP A 145 -7.425 19.433 -25.729 1.00 38.67 C ATOM 1273 C ASP A 145 -7.990 18.380 -24.760 1.00 37.21 C ATOM 1274 O ASP A 145 -9.045 17.789 -25.007 1.00 39.95 O ATOM 1275 CB ASP A 145 -7.172 18.828 -27.131 1.00 45.32 C ATOM 1276 CG ASP A 145 -6.383 17.520 -27.105 1.00 50.30 C ATOM 1277 OD1 ASP A 145 -5.665 17.251 -26.124 1.00 59.74 O ATOM 1278 OD2 ASP A 145 -6.471 16.761 -28.103 1.00 52.12 O ATOM 1279 H ASP A 145 -5.302 19.875 -25.731 1.00 0.00 H ATOM 1280 N GLN A 146 -7.300 18.180 -23.644 1.00 37.76 N ATOM 1281 CA GLN A 146 -7.698 17.193 -22.655 1.00 41.97 C ATOM 1282 C GLN A 146 -7.801 17.820 -21.255 1.00 38.54 C ATOM 1283 O GLN A 146 -7.903 17.108 -20.261 1.00 32.28 O ATOM 1284 CB GLN A 146 -6.711 16.013 -22.656 1.00 37.23 C ATOM 1285 CG GLN A 146 -6.807 15.128 -23.901 1.00 44.35 C ATOM 1286 CD GLN A 146 -5.962 13.886 -23.797 1.00 39.55 C ATOM 1287 OE1 GLN A 146 -4.981 13.717 -24.522 1.00 49.91 O ATOM 1288 NE2 GLN A 146 -6.338 13.000 -22.894 1.00 45.21 N ATOM 1289 HE22 GLN A 146 -7.173 13.183 -22.302 1.00 0.00 H ATOM 1290 HE21 GLN A 146 -5.799 12.119 -22.774 1.00 0.00 H ATOM 1291 H GLN A 146 -6.446 18.749 -23.472 1.00 0.00 H ATOM 1292 N LEU A 147 -7.802 19.146 -21.178 1.00 35.77 N ATOM 1293 CA LEU A 147 -7.750 19.840 -19.884 1.00 36.11 C ATOM 1294 C LEU A 147 -9.133 20.033 -19.258 1.00 33.60 C ATOM 1295 O LEU A 147 -9.952 20.809 -19.754 1.00 35.00 O ATOM 1296 CB LEU A 147 -7.057 21.195 -20.044 1.00 31.55 C ATOM 1297 CG LEU A 147 -6.779 21.998 -18.779 1.00 28.75 C ATOM 1298 CD1 LEU A 147 -5.768 21.301 -17.897 1.00 29.03 C ATOM 1299 CD2 LEU A 147 -6.303 23.338 -19.185 1.00 34.41 C ATOM 1300 H LEU A 147 -7.840 19.706 -22.054 1.00 0.00 H ATOM 1301 N ARG A 148 -9.367 19.341 -18.144 1.00 29.40 N ATOM 1302 CA ARG A 148 -10.676 19.310 -17.516 1.00 29.73 C ATOM 1303 C ARG A 148 -10.819 20.344 -16.421 1.00 27.78 C ATOM 1304 O ARG A 148 -10.039 20.365 -15.483 1.00 31.77 O ATOM 1305 CB ARG A 148 -10.955 17.926 -16.925 1.00 31.16 C ATOM 1306 CG ARG A 148 -11.071 16.775 -17.929 1.00 29.30 C ATOM 1307 CD ARG A 148 -11.177 15.435 -17.228 1.00 29.69 C ATOM 1308 NE ARG A 148 -10.006 15.171 -16.414 1.00 30.65 N ATOM 1309 CZ ARG A 148 -9.957 14.347 -15.380 1.00 30.00 C ATOM 1310 NH1 ARG A 148 -11.023 13.681 -14.984 1.00 30.02 N ATOM 1311 NH2 ARG A 148 -8.820 14.199 -14.734 1.00 30.23 N ATOM 1312 HE ARG A 148 -9.130 15.672 -16.665 1.00 0.00 H ATOM 1313 HH12 ARG A 148 -10.962 13.039 -14.169 1.00 0.00 H ATOM 1314 HH11 ARG A 148 -11.926 13.798 -15.487 1.00 0.00 H ATOM 1315 HH22 ARG A 148 -8.765 13.555 -13.919 1.00 0.00 H ATOM 1316 HH21 ARG A 148 -7.977 14.726 -15.038 1.00 0.00 H ATOM 1317 H ARG A 148 -8.588 18.806 -17.710 1.00 0.00 H ATOM 1318 N THR A 149 -11.842 21.185 -16.541 1.00 34.90 N ATOM 1319 CA THR A 149 -12.230 22.109 -15.480 1.00 34.87 C ATOM 1320 C THR A 149 -13.728 22.007 -15.260 1.00 30.85 C ATOM 1321 O THR A 149 -14.513 22.022 -16.203 1.00 29.73 O ATOM 1322 CB THR A 149 -11.862 23.574 -15.818 1.00 27.18 C ATOM 1323 OG1 THR A 149 -10.573 23.608 -16.435 1.00 34.46 O ATOM 1324 CG2 THR A 149 -11.879 24.451 -14.566 1.00 26.67 C ATOM 1325 HG1 THR A 149 -10.592 23.071 -17.266 1.00 0.00 H ATOM 1326 H THR A 149 -12.388 21.184 -17.426 1.00 0.00 H ATOM 1327 N ARG A 150 -14.121 21.892 -14.008 1.00 26.20 N ATOM 1328 CA ARG A 150 -15.511 22.051 -13.671 1.00 26.27 C ATOM 1329 C ARG A 150 -15.786 23.491 -13.286 1.00 26.11 C ATOM 1330 O ARG A 150 -15.150 24.060 -12.426 1.00 25.96 O ATOM 1331 CB ARG A 150 -15.911 21.110 -12.551 1.00 27.09 C ATOM 1332 CG ARG A 150 -17.370 21.220 -12.228 1.00 31.93 C ATOM 1333 CD ARG A 150 -17.857 20.105 -11.351 1.00 43.26 C ATOM 1334 NE ARG A 150 -18.027 18.851 -12.072 1.00 46.81 N ATOM 1335 CZ ARG A 150 -19.092 18.532 -12.808 1.00 49.06 C ATOM 1336 NH1 ARG A 150 -20.114 19.375 -12.969 1.00 47.81 N ATOM 1337 NH2 ARG A 150 -19.127 17.349 -13.403 1.00 49.41 N ATOM 1338 HE ARG A 150 -17.260 18.152 -12.008 1.00 0.00 H ATOM 1339 HH12 ARG A 150 -20.931 19.097 -13.549 1.00 0.00 H ATOM 1340 HH11 ARG A 150 -20.093 20.310 -12.514 1.00 0.00 H ATOM 1341 HH22 ARG A 150 -19.949 17.082 -13.981 1.00 0.00 H ATOM 1342 HH21 ARG A 150 -18.332 16.687 -13.292 1.00 0.00 H ATOM 1343 H ARG A 150 -13.426 21.686 -13.262 1.00 0.00 H ATOM 1344 N VAL A 151 -16.761 24.065 -13.958 1.00 26.75 N ATOM 1345 CA VAL A 151 -17.149 25.451 -13.788 1.00 30.09 C ATOM 1346 C VAL A 151 -18.524 25.514 -13.120 1.00 27.18 C ATOM 1347 O VAL A 151 -19.457 24.884 -13.599 1.00 27.48 O ATOM 1348 CB VAL A 151 -17.188 26.165 -15.148 1.00 29.82 C ATOM 1349 CG1 VAL A 151 -17.675 27.587 -15.009 1.00 38.29 C ATOM 1350 CG2 VAL A 151 -15.825 26.103 -15.816 1.00 26.64 C ATOM 1351 H VAL A 151 -17.283 23.491 -14.651 1.00 0.00 H ATOM 1352 N SER A 152 -18.630 26.267 -12.021 1.00 28.83 N ATOM 1353 CA SER A 152 -19.869 26.407 -11.263 1.00 27.41 C ATOM 1354 C SER A 152 -20.160 27.846 -10.944 1.00 27.75 C ATOM 1355 O SER A 152 -19.293 28.572 -10.510 1.00 30.70 O ATOM 1356 CB SER A 152 -19.810 25.631 -9.961 1.00 27.54 C ATOM 1357 OG SER A 152 -19.437 24.290 -10.184 1.00 30.54 O ATOM 1358 HG SER A 152 -19.407 23.809 -9.319 1.00 0.00 H ATOM 1359 H SER A 152 -17.787 26.779 -11.689 1.00 0.00 H ATOM 1360 N LEU A 153 -21.404 28.243 -11.169 1.00 28.36 N ATOM 1361 CA LEU A 153 -21.907 29.538 -10.776 1.00 28.97 C ATOM 1362 C LEU A 153 -22.817 29.337 -9.621 1.00 29.74 C ATOM 1363 O LEU A 153 -23.792 28.638 -9.730 1.00 30.16 O ATOM 1364 CB LEU A 153 -22.654 30.201 -11.907 1.00 29.35 C ATOM 1365 CG LEU A 153 -21.862 30.444 -13.186 1.00 28.79 C ATOM 1366 CD1 LEU A 153 -22.779 31.062 -14.220 1.00 34.70 C ATOM 1367 CD2 LEU A 153 -20.637 31.316 -12.940 1.00 28.41 C ATOM 1368 H LEU A 153 -22.051 27.588 -11.653 1.00 0.00 H ATOM 1369 N MET A 154 -22.482 29.965 -8.509 1.00 30.02 N ATOM 1370 CA MET A 154 -23.216 29.806 -7.275 1.00 30.88 C ATOM 1371 C MET A 154 -24.561 30.502 -7.354 1.00 32.02 C ATOM 1372 O MET A 154 -24.655 31.616 -7.852 1.00 32.28 O ATOM 1373 CB MET A 154 -22.398 30.362 -6.123 1.00 30.97 C ATOM 1374 CG MET A 154 -21.028 29.741 -5.973 1.00 30.23 C ATOM 1375 SD MET A 154 -21.058 27.993 -5.693 1.00 29.73 S ATOM 1376 CE MET A 154 -21.990 27.875 -4.208 1.00 30.92 C ATOM 1377 H MET A 154 -21.658 30.599 -8.522 1.00 0.00 H ATOM 1378 N LEU A 155 -25.602 29.841 -6.857 1.00 34.00 N ATOM 1379 CA LEU A 155 -26.953 30.374 -6.931 1.00 35.27 C ATOM 1380 C LEU A 155 -27.289 31.168 -5.685 1.00 39.67 C ATOM 1381 O LEU A 155 -26.784 30.872 -4.606 1.00 39.89 O ATOM 1382 CB LEU A 155 -27.983 29.252 -7.117 1.00 36.70 C ATOM 1383 CG LEU A 155 -27.941 28.388 -8.390 1.00 37.41 C ATOM 1384 CD1 LEU A 155 -29.115 27.419 -8.425 1.00 40.49 C ATOM 1385 CD2 LEU A 155 -27.902 29.237 -9.654 1.00 42.56 C ATOM 1386 H LEU A 155 -25.446 28.918 -6.403 1.00 0.00 H ATOM 1387 N HIS A 156 -28.168 32.158 -5.858 1.00 60.27 N ATOM 1388 CA HIS A 156 -28.578 33.105 -4.815 1.00 58.09 C ATOM 1389 C HIS A 156 -29.565 32.480 -3.825 1.00 54.70 C ATOM 1390 O HIS A 156 -30.195 31.464 -4.120 1.00 56.11 O ATOM 1391 CB HIS A 156 -29.197 34.352 -5.476 1.00 57.33 C ATOM 1392 CG HIS A 156 -29.565 35.435 -4.515 1.00 58.43 C ATOM 1393 ND1 HIS A 156 -30.823 35.538 -3.960 1.00 65.12 N ATOM 1394 CD2 HIS A 156 -28.848 36.472 -4.018 1.00 56.89 C ATOM 1395 CE1 HIS A 156 -30.863 36.582 -3.154 1.00 68.26 C ATOM 1396 NE2 HIS A 156 -29.678 37.168 -3.171 1.00 66.60 N ATOM 1397 H HIS A 156 -28.593 32.266 -6.801 1.00 0.00 H ATOM 1398 N GLU A 157 -29.689 33.097 -2.651 1.00 79.99 N ATOM 1399 CA GLU A 157 -30.634 32.650 -1.625 1.00 83.57 C ATOM 1400 C GLU A 157 -32.039 32.447 -2.182 1.00 90.38 C ATOM 1401 O GLU A 157 -32.351 32.858 -3.304 1.00 91.49 O ATOM 1402 CB GLU A 157 -30.697 33.657 -0.468 1.00 73.54 C ATOM 1403 H GLU A 157 -29.093 33.927 -2.456 1.00 0.00 H ATOM 1404 N SER A 158 -32.890 31.822 -1.377 1.00105.15 N ATOM 1405 CA SER A 158 -34.284 31.603 -1.749 1.00101.38 C ATOM 1406 C SER A 158 -35.031 32.929 -1.947 1.00105.67 C ATOM 1407 O SER A 158 -36.252 32.943 -2.096 1.00103.78 O ATOM 1408 CB SER A 158 -34.995 30.756 -0.683 1.00 94.22 C ATOM 1409 H SER A 158 -32.553 31.479 -0.455 1.00 0.00 H TER 1410 SER A 158 HETATM 1411 O HOH 1 -12.694 44.948 -10.138 1.00 56.55 O HETATM 1412 O HOH 2 -13.967 28.029 -0.072 1.00 37.36 O HETATM 1413 O HOH 3 -12.446 32.640 -22.783 1.00 56.49 O HETATM 1414 O HOH 4 -4.963 16.330 3.646 1.00 56.75 O HETATM 1415 O HOH 5 -24.702 20.564 -23.786 1.00 36.41 O HETATM 1416 O HOH 6 -13.593 16.919 -7.083 1.00 48.45 O HETATM 1417 O HOH 7 -12.017 18.392 2.303 1.00 57.80 O HETATM 1418 O HOH 8 -10.389 23.156 -18.577 1.00 34.98 O HETATM 1419 O HOH 9 -7.670 22.472 -14.993 1.00 36.74 O HETATM 1420 O HOH 10 -12.089 32.368 -15.356 1.00 44.89 O HETATM 1421 O HOH 11 1.892 30.317 -15.493 1.00 50.30 O HETATM 1422 O HOH 12 -15.981 28.127 6.843 1.00 40.23 O HETATM 1423 O HOH 13 -2.621 22.316 -20.588 1.00 39.49 O HETATM 1424 O HOH 14 -33.711 22.413 -16.983 1.00 50.40 O HETATM 1425 O HOH 15 10.578 24.627 1.267 1.00 38.42 O HETATM 1426 O HOH 16 7.156 28.360 0.149 1.00 34.98 O HETATM 1427 O HOH 17 -26.884 27.952 -22.417 1.00 43.26 O HETATM 1428 O HOH 18 -2.643 15.416 -16.355 1.00 43.56 O HETATM 1429 O HOH 19 -19.206 22.161 -8.962 1.00 55.70 O HETATM 1430 O HOH 20 3.947 22.930 -6.393 1.00 45.40 O HETATM 1431 O HOH 21 -28.528 20.224 -19.147 1.00 45.31 O HETATM 1432 O HOH 22 -20.325 16.572 -15.439 1.00 55.38 O HETATM 1433 O HOH 23 -21.964 32.370 -3.560 1.00 40.54 O HETATM 1434 O HOH 24 -5.202 33.462 3.087 1.00 34.98 O HETATM 1435 O HOH 25 -4.088 14.634 -26.681 1.00 41.12 O HETATM 1436 O HOH 26 -15.024 34.156 -3.084 1.00 34.98 O HETATM 1437 O HOH 27 4.259 20.324 10.772 1.00 34.98 O HETATM 1438 O HOH 28 -7.337 41.704 -13.901 1.00 34.98 O HETATM 1439 O HOH 29 -2.443 35.059 -15.421 1.00 69.25 O HETATM 1440 O HOH 30 -18.279 21.810 -2.128 1.00 34.98 O HETATM 1441 O HOH 31 -1.380 38.900 -7.412 1.00 37.78 O HETATM 1442 O HOH 32 5.243 31.658 -2.113 1.00 58.74 O HETATM 1443 O HOH 33 -12.051 23.288 7.936 1.00 34.98 O HETATM 1444 O HOH 34 -16.930 23.743 -9.675 1.00 34.98 O HETATM 1445 O HOH 35 -16.414 35.907 -2.194 1.00 46.35 O HETATM 1446 O HOH 36 -16.684 16.637 -12.473 1.00 49.21 O HETATM 1447 O HOH 37 -21.442 29.668 -25.028 1.00 40.57 O HETATM 1448 O HOH 38 -3.890 30.161 -14.498 1.00 42.86 O HETATM 1449 O HOH 39 -25.538 28.979 -3.176 1.00 47.15 O HETATM 1450 O HOH 40 4.764 31.827 -9.046 1.00 38.07 O HETATM 1451 O HOH 41 -17.541 21.066 -4.101 1.00 49.23 O HETATM 1452 O HOH 42 -30.492 26.906 -21.963 1.00 55.20 O HETATM 1453 O HOH 43 0.945 35.376 -13.983 1.00 39.40 O HETATM 1454 O HOH 44 -8.329 15.156 -10.496 1.00 35.25 O HETATM 1455 O HOH 45 -22.690 14.818 -11.715 1.00 58.72 O HETATM 1456 O HOH 46 -19.114 38.702 -10.021 1.00 49.64 O HETATM 1457 O HOH 47 -25.313 38.536 -4.414 1.00 35.69 O HETATM 1458 O HOH 48 -1.974 17.719 11.442 1.00 42.78 O HETATM 1459 O HOH 49 -27.486 17.287 -10.398 1.00 46.58 O HETATM 1460 O HOH 50 -1.561 39.035 -4.597 1.00 54.95 O HETATM 1461 O HOH 51 -28.316 35.269 -1.409 1.00 53.45 O HETATM 1462 O HOH 52 -2.214 15.199 -21.480 1.00 34.98 O HETATM 1463 O HOH 53 -6.630 28.342 10.042 1.00 34.98 O HETATM 1464 O HOH 54 -9.208 22.696 7.162 1.00 45.92 O HETATM 1465 O HOH 55 -32.244 19.269 -23.501 1.00 49.17 O HETATM 1466 O HOH 56 -10.894 11.077 -13.662 1.00 48.38 O HETATM 1467 O HOH 57 -27.871 24.862 -24.456 1.00 46.60 O HETATM 1468 O HOH 58 -22.940 33.271 -9.633 1.00 34.98 O HETATM 1469 O HOH 59 -23.579 29.568 -25.256 1.00 47.39 O HETATM 1470 O HOH 60 -8.889 19.990 8.323 1.00 46.49 O HETATM 1471 O HOH 61 -32.105 24.798 -20.287 1.00 50.31 O HETATM 1472 O HOH 62 -10.034 44.968 -15.955 1.00 46.33 O HETATM 1473 O HOH 63 -20.604 18.131 -17.007 1.00 39.55 O HETATM 1474 O HOH 64 -18.261 27.511 2.259 1.00 45.34 O HETATM 1475 O HOH 65 -2.723 42.039 -6.413 1.00 55.72 O HETATM 1476 O HOH 66 -1.335 37.880 -2.730 1.00 40.69 O HETATM 1477 O HOH 67 -25.649 26.697 2.137 1.00 50.14 O HETATM 1478 O HOH 68 -12.901 44.118 -6.677 1.00 37.14 O HETATM 1479 O HOH 69 -3.419 30.575 9.376 1.00 43.05 O HETATM 1480 O HOH 70 0.492 11.512 8.913 1.00 49.13 O HETATM 1481 O HOH 71 1.149 17.682 -0.486 1.00 40.80 O HETATM 1482 O HOH 72 -31.031 21.163 -19.269 1.00 39.19 O HETATM 1483 O HOH 73 -25.378 31.387 -1.924 1.00 62.31 O HETATM 1484 O HOH 74 -25.759 27.843 -24.710 1.00 50.83 O HETATM 1485 O HOH 75 -4.631 17.365 -5.733 1.00 48.21 O HETATM 1486 O HOH 76 -6.853 14.037 -18.028 1.00 55.56 O HETATM 1487 O HOH 77 -5.063 26.549 11.554 1.00 46.82 O HETATM 1488 O HOH 78 -29.113 36.173 -11.952 1.00 41.39 O HETATM 1489 O HOH 79 -36.284 28.104 -10.325 1.00 49.47 O HETATM 1490 O HOH 80 -15.393 17.535 -10.550 1.00 42.95 O HETATM 1491 O HOH 81 -3.202 28.494 12.500 1.00 56.01 O HETATM 1492 O HOH 82 -1.914 43.929 -14.324 1.00 50.19 O HETATM 1493 O HOH 83 -35.062 22.353 -14.516 1.00 43.39 O HETATM 1494 O HOH 84 -4.587 26.595 -20.589 1.00 44.20 O HETATM 1495 O HOH 85 -14.061 16.026 -8.963 1.00 55.88 O HETATM 1496 O HOH 86 -16.959 35.344 -10.801 1.00 43.49 O HETATM 1497 O HOH 87 -4.933 29.053 -22.482 1.00 53.95 O HETATM 1498 O HOH 88 -2.432 17.870 -6.181 1.00 44.39 O HETATM 1499 O HOH 89 -25.437 28.882 0.840 1.00 46.38 O HETATM 1500 O HOH 90 -6.907 11.257 -2.142 1.00 45.59 O HETATM 1501 O HOH 91 -10.214 12.512 -11.462 1.00 53.61 O HETATM 1502 O HOH 92 -22.550 34.757 -11.410 1.00 42.44 O HETATM 1503 O HOH 93 0.120 12.486 10.890 1.00 48.16 O HETATM 1504 O HOH 94 -6.356 12.986 -4.405 1.00 39.56 O HETATM 1505 O HOH 95 -5.753 29.417 -24.777 1.00 50.10 O HETATM 1506 O HOH 96 2.169 21.907 10.446 1.00 54.01 O HETATM 1507 O HOH 97 4.105 12.879 10.123 1.00 43.17 O HETATM 1508 O HOH 98 -0.023 40.781 -3.569 1.00 42.54 O HETATM 1509 O HOH 99 -19.034 19.878 -7.790 1.00 51.18 O HETATM 1510 O HOH 100 -10.656 14.557 -10.464 1.00 51.25 O HETATM 1511 O HOH 101 -3.874 24.655 -21.262 1.00 44.98 O HETATM 1512 O HOH 102 -1.349 26.147 -22.690 1.00 51.68 O HETATM 1513 C1 RHQ A 103 -3.258 22.477 -10.737 1.00 0.10 C HETATM 1514 C2 RHQ A 103 -1.915 22.736 -10.393 1.00 -0.01 C HETATM 1515 C3 RHQ A 103 -1.185 21.726 -9.745 1.00 -0.07 C HETATM 1516 C4 RHQ A 103 -1.755 20.471 -9.433 1.00 -0.04 C HETATM 1517 C5 RHQ A 103 -3.083 20.202 -9.776 1.00 0.03 C HETATM 1518 C6 RHQ A 103 -3.834 21.204 -10.424 1.00 -0.02 C HETATM 1519 H2 RHQ A 103 -4.866 21.007 -10.690 1.00 0.04 H HETATM 1520 N2 RHQ A 103 -3.654 18.895 -9.435 1.00 -0.33 N HETATM 1521 C24 RHQ A 103 -4.821 18.371 -10.134 1.00 0.02 C HETATM 1522 C25 RHQ A 103 -5.307 17.096 -9.473 1.00 -0.05 C HETATM 1523 H25 RHQ A 103 -6.187 16.715 -10.013 1.00 0.02 H HETATM 1524 H26 RHQ A 103 -5.580 17.306 -8.428 1.00 0.02 H HETATM 1525 H27 RHQ A 103 -4.507 16.342 -9.498 1.00 0.02 H HETATM 1526 H23 RHQ A 103 -4.551 18.157 -11.179 1.00 0.05 H HETATM 1527 H24 RHQ A 103 -5.625 19.121 -10.109 1.00 0.05 H HETATM 1528 H22 RHQ A 103 -3.221 18.336 -8.686 1.00 0.17 H HETATM 1529 C21 RHQ A 103 -0.897 19.429 -8.732 1.00 -0.04 C HETATM 1530 H14 RHQ A 103 0.108 19.840 -8.555 1.00 0.03 H HETATM 1531 H15 RHQ A 103 -0.820 18.532 -9.364 1.00 0.03 H HETATM 1532 H16 RHQ A 103 -1.359 19.161 -7.770 1.00 0.03 H HETATM 1533 H1 RHQ A 103 -0.152 21.915 -9.476 1.00 0.04 H HETATM 1534 C9 RHQ A 103 -1.308 24.046 -10.713 1.00 0.05 C HETATM 1535 C8 RHQ A 103 -2.162 25.017 -11.392 1.00 -0.01 C HETATM 1536 C7 RHQ A 103 -3.489 24.681 -11.701 1.00 0.10 C HETATM 1537 O1 RHQ A 103 -4.003 23.451 -11.377 1.00 -0.28 O HETATM 1538 C10 RHQ A 103 -4.319 25.628 -12.350 1.00 -0.02 C HETATM 1539 C11 RHQ A 103 -3.807 26.885 -12.693 1.00 0.03 C HETATM 1540 C12 RHQ A 103 -2.515 27.201 -12.394 1.00 -0.04 C HETATM 1541 C13 RHQ A 103 -1.681 26.294 -11.742 1.00 -0.07 C HETATM 1542 H5 RHQ A 103 -0.661 26.572 -11.504 1.00 0.04 H HETATM 1543 C20 RHQ A 103 -2.009 28.540 -12.778 1.00 -0.04 C HETATM 1544 H11 RHQ A 103 -2.810 29.105 -13.278 1.00 0.03 H HETATM 1545 H12 RHQ A 103 -1.157 28.427 -13.464 1.00 0.03 H HETATM 1546 H13 RHQ A 103 -1.685 29.082 -11.877 1.00 0.03 H HETATM 1547 N1 RHQ A 103 -4.624 27.895 -13.369 1.00 -0.33 N HETATM 1548 C22 RHQ A 103 -6.053 27.748 -13.377 1.00 0.02 C HETATM 1549 C23 RHQ A 103 -6.731 28.971 -13.934 1.00 -0.05 C HETATM 1550 H19 RHQ A 103 -7.821 28.822 -13.925 1.00 0.02 H HETATM 1551 H20 RHQ A 103 -6.393 29.139 -14.967 1.00 0.02 H HETATM 1552 H21 RHQ A 103 -6.475 29.845 -13.317 1.00 0.02 H HETATM 1553 H17 RHQ A 103 -6.401 27.585 -12.346 1.00 0.05 H HETATM 1554 H18 RHQ A 103 -6.319 26.879 -13.996 1.00 0.05 H HETATM 1555 H6 RHQ A 103 -4.180 28.700 -13.833 1.00 0.17 H HETATM 1556 H4 RHQ A 103 -5.349 25.380 -12.581 1.00 0.04 H HETATM 1557 C14 RHQ A 103 0.169 24.304 -10.337 1.00 -0.00 C HETATM 1558 C15 RHQ A 103 0.583 24.218 -8.881 1.00 -0.05 C HETATM 1559 C16 RHQ A 103 1.912 24.415 -8.480 1.00 -0.06 C HETATM 1560 C17 RHQ A 103 2.968 24.721 -9.509 1.00 -0.06 C HETATM 1561 C18 RHQ A 103 2.623 24.794 -10.840 1.00 -0.05 C HETATM 1562 C19 RHQ A 103 1.176 24.576 -11.271 1.00 0.07 C HETATM 1563 C26 RHQ A 103 0.920 24.682 -12.762 1.00 0.26 C HETATM 1564 O27 RHQ A 103 0.138 23.926 -13.302 1.00 -0.36 O HETATM 1565 O2 RHQ A 103 1.577 25.629 -13.523 1.00 -0.28 O HETATM 1566 C28 RHQ A 103 0.780 26.485 -14.303 1.00 0.07 C HETATM 1567 C29 RHQ A 103 1.303 26.577 -15.685 1.00 -0.04 C HETATM 1568 H30 RHQ A 103 0.664 27.251 -16.275 1.00 0.03 H HETATM 1569 H31 RHQ A 103 1.304 25.577 -16.144 1.00 0.03 H HETATM 1570 H32 RHQ A 103 2.330 26.971 -15.663 1.00 0.03 H HETATM 1571 H28 RHQ A 103 0.778 27.488 -13.851 1.00 0.06 H HETATM 1572 H29 RHQ A 103 -0.248 26.094 -14.332 1.00 0.06 H HETATM 1573 H10 RHQ A 103 3.382 25.007 -11.584 1.00 0.07 H HETATM 1574 H9 RHQ A 103 3.995 24.883 -9.203 1.00 0.06 H HETATM 1575 H8 RHQ A 103 2.179 24.347 -7.431 1.00 0.06 H HETATM 1576 H7 RHQ A 103 -0.168 23.998 -8.131 1.00 0.06 H HETATM 1577 H3 RHQ A 103 -1.619 24.452 -9.739 1.00 0.07 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 42 41 81 CONECT 81 42 80 CONECT 1513 1514 1518 1537 CONECT 1514 1513 1515 1534 CONECT 1515 1514 1516 1533 CONECT 1516 1515 1517 1529 CONECT 1517 1516 1518 1520 CONECT 1518 1513 1517 1519 CONECT 1519 1518 CONECT 1520 1517 1521 1528 CONECT 1521 1520 1522 1526 1527 CONECT 1522 1521 1523 1524 1525 CONECT 1523 1522 CONECT 1524 1522 CONECT 1525 1522 CONECT 1526 1521 CONECT 1527 1521 CONECT 1528 1520 CONECT 1529 1516 1530 1531 1532 CONECT 1530 1529 CONECT 1531 1529 CONECT 1532 1529 CONECT 1533 1515 CONECT 1534 1514 1535 1557 1577 CONECT 1535 1534 1536 1541 CONECT 1536 1535 1537 1538 CONECT 1537 1513 1536 CONECT 1538 1536 1539 1556 CONECT 1539 1538 1540 1547 CONECT 1540 1539 1541 1543 CONECT 1541 1535 1540 1542 CONECT 1542 1541 CONECT 1543 1540 1544 1545 1546 CONECT 1544 1543 CONECT 1545 1543 CONECT 1546 1543 CONECT 1547 1539 1548 1555 CONECT 1548 1547 1549 1553 1554 CONECT 1549 1548 1550 1551 1552 CONECT 1550 1549 CONECT 1551 1549 CONECT 1552 1549 CONECT 1553 1548 CONECT 1554 1548 CONECT 1555 1547 CONECT 1556 1538 CONECT 1557 1534 1558 1562 CONECT 1558 1557 1559 1576 CONECT 1559 1558 1560 1575 CONECT 1560 1559 1561 1574 CONECT 1561 1560 1562 1573 CONECT 1562 1557 1561 1563 CONECT 1563 1562 1564 1565 CONECT 1564 1563 CONECT 1565 1563 1566 CONECT 1566 1565 1567 1571 1572 CONECT 1567 1566 1568 1569 1570 CONECT 1568 1567 CONECT 1569 1567 CONECT 1570 1567 CONECT 1571 1566 CONECT 1572 1566 CONECT 1573 1561 CONECT 1574 1560 CONECT 1575 1559 CONECT 1576 1558 CONECT 1577 1534 MASTER 0 0 0 0 0 0 0 0 1576 1 71 13 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5kax
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
3vvz
RCSB PDB
PDBbind
RHQ
5kau
RCSB PDB
PDBbind
RHQ
Entry Information
PDB ID
5kax
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
protein containing GyrI-like domain CTR107
Ligand Name
RHQ
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=0.78uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Biochemistry Vol. 55: pp. 4850-4863
Ligand Properties
Formula
C
2
8
H
3
2
N
2
O
3
Molecular Weight
444.565
Exact Mass
444.241
No. of atoms
65
No. of bonds
68
Polar Surface Area
59.59
LOGP Value
6.55 (
Computed with XLOGP3
)
6.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
CCOC(=O)c1ccccc1C1c2cc(C)c(cc2Oc2c1cc(C)c(c2)NCC)NCC
InChI String
InChI=1S/C28H32N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,27,29-30H,6-8H2,1-5H3
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):
Q8KFZ1
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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