Browse entries in the PDBbind-CN Database
HEADER 5MTS_COMPLEX COMPND 5MTS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 158 PHE ALA CYS LYS THR ALA ASN GLY THR ALA ILE PRO ILE SEQRES 2 A 158 GLY GLY GLY SER ALA ASN VAL TYR VAL ASN LEU ALA PRO SEQRES 3 A 158 VAL VAL ASN VAL GLY GLN ASN LEU VAL VAL ASP LEU SER SEQRES 4 A 158 THR GLN ILE PHE CYS HIS ASN ASP TYR PRO GLU THR ILE SEQRES 5 A 158 THR ASP TYR VAL THR LEU GLN ARG GLY SER ALA TYR GLY SEQRES 6 A 158 GLY VAL LEU SER ASN PHE SER GLY THR VAL LYS TYR SER SEQRES 7 A 158 GLY SER SER TYR PRO PHE PRO THR THR SER GLU THR PRO SEQRES 8 A 158 ARG VAL VAL TYR ASN SER ARG THR ASP LYS PRO TRP PRO SEQRES 9 A 158 VAL ALA LEU TYR LEU THR PRO VAL SER SER ALA GLY GLY SEQRES 10 A 158 VAL ALA ILE LYS ALA GLY SER LEU ILE ALA VAL LEU ILE SEQRES 11 A 158 LEU ARG GLN THR ASN ASN TYR ASN SER ASP ASP PHE GLN SEQRES 12 A 158 PHE VAL TRP ASN ILE TYR ALA ASN ASN ASP VAL VAL VAL SEQRES 13 A 158 PRO THR HET NI A 1 1 HET XKA A 321 50 ATOM 1 N PHE A 1 -34.640 2.293 10.046 1.00 39.11 N ATOM 2 CA PHE A 1 -33.712 2.048 8.954 1.00 41.46 C ATOM 3 C PHE A 1 -33.627 3.237 7.982 1.00 43.11 C ATOM 4 O PHE A 1 -34.635 3.655 7.399 1.00 43.03 O ATOM 5 CB PHE A 1 -34.110 0.789 8.194 1.00 40.08 C ATOM 6 CG PHE A 1 -33.194 0.471 7.053 1.00 41.73 C ATOM 7 CD1 PHE A 1 -33.329 1.116 5.824 1.00 40.75 C ATOM 8 CD2 PHE A 1 -32.183 -0.461 7.209 1.00 38.93 C ATOM 9 CE1 PHE A 1 -32.476 0.834 4.776 1.00 38.52 C ATOM 10 CE2 PHE A 1 -31.322 -0.747 6.155 1.00 42.17 C ATOM 11 CZ PHE A 1 -31.475 -0.102 4.937 1.00 36.81 C ATOM 12 HN3 PHE A 1 -35.591 2.463 9.660 1.00 0.00 H ATOM 13 HN2 PHE A 1 -34.329 3.127 10.583 1.00 0.00 H ATOM 14 HN1 PHE A 1 -34.662 1.464 10.673 1.00 0.00 H ATOM 15 N ALA A 2 -32.415 3.755 7.791 1.00 38.29 N ATOM 16 CA ALA A 2 -32.173 4.851 6.862 1.00 40.39 C ATOM 17 C ALA A 2 -30.778 4.678 6.262 1.00 40.17 C ATOM 18 O ALA A 2 -30.032 3.759 6.622 1.00 37.72 O ATOM 19 CB ALA A 2 -32.359 6.210 7.550 1.00 33.39 C ATOM 20 H ALA A 2 -31.613 3.363 8.324 1.00 0.00 H ATOM 21 N CYS A 3 -30.438 5.548 5.309 1.00 40.06 N ATOM 22 CA CYS A 3 -29.185 5.445 4.577 1.00 40.10 C ATOM 23 C CYS A 3 -28.623 6.831 4.313 1.00 43.69 C ATOM 24 O CYS A 3 -29.363 7.814 4.235 1.00 51.19 O ATOM 25 CB CYS A 3 -29.360 4.725 3.242 1.00 35.99 C ATOM 26 SG CYS A 3 -30.555 3.400 3.273 1.00 41.17 S ATOM 27 H CYS A 3 -31.090 6.325 5.082 1.00 0.00 H ATOM 28 N LYS A 4 -27.309 6.886 4.138 1.00 36.13 N ATOM 29 CA LYS A 4 -26.603 8.124 3.887 1.00 40.80 C ATOM 30 C LYS A 4 -25.441 7.852 2.943 1.00 46.28 C ATOM 31 O LYS A 4 -24.860 6.761 2.931 1.00 44.92 O ATOM 32 CB LYS A 4 -26.084 8.750 5.189 1.00 45.30 C ATOM 33 CG LYS A 4 -25.335 7.751 6.072 1.00 50.17 C ATOM 34 CD LYS A 4 -24.496 8.416 7.166 1.00 56.96 C ATOM 35 CE LYS A 4 -25.338 8.892 8.337 1.00 63.23 C ATOM 36 NZ LYS A 4 -24.501 9.678 9.302 1.00 66.32 N ATOM 37 HZ1 LYS A 4 -23.732 9.077 9.661 1.00 0.00 H ATOM 38 HZ2 LYS A 4 -24.099 10.505 8.816 1.00 0.00 H ATOM 39 HZ3 LYS A 4 -25.094 9.995 10.095 1.00 0.00 H ATOM 40 H LYS A 4 -26.763 6.002 4.183 1.00 0.00 H ATOM 41 N THR A 5 -25.112 8.860 2.148 1.00 50.29 N ATOM 42 CA THR A 5 -23.914 8.824 1.336 1.00 46.52 C ATOM 43 C THR A 5 -22.705 9.248 2.164 1.00 44.78 C ATOM 44 O THR A 5 -22.828 9.803 3.256 1.00 45.87 O ATOM 45 CB THR A 5 -24.062 9.733 0.125 1.00 46.75 C ATOM 46 OG1 THR A 5 -24.079 11.097 0.563 1.00 53.35 O ATOM 47 CG2 THR A 5 -25.370 9.440 -0.568 1.00 49.74 C ATOM 48 HG1 THR A 5 -24.175 11.693 -0.222 1.00 0.00 H ATOM 49 H THR A 5 -25.729 9.696 2.106 1.00 0.00 H ATOM 50 N ALA A 6 -21.521 8.982 1.613 1.00 52.42 N ATOM 51 CA ALA A 6 -20.267 9.341 2.271 1.00 49.44 C ATOM 52 C ALA A 6 -20.234 10.815 2.662 1.00 56.06 C ATOM 53 O ALA A 6 -19.956 11.165 3.815 1.00 59.50 O ATOM 54 CB ALA A 6 -19.097 9.017 1.343 1.00 48.71 C ATOM 55 H ALA A 6 -21.489 8.506 0.689 1.00 0.00 H ATOM 56 N ASN A 7 -20.513 11.696 1.710 1.00 57.79 N ATOM 57 CA ASN A 7 -20.444 13.124 1.966 1.00 56.65 C ATOM 58 C ASN A 7 -21.701 13.677 2.639 1.00 56.32 C ATOM 59 O ASN A 7 -21.785 14.891 2.863 1.00 56.29 O ATOM 60 CB ASN A 7 -20.138 13.841 0.651 1.00 62.34 C ATOM 61 CG ASN A 7 -18.751 13.492 0.114 1.00 65.14 C ATOM 62 OD1 ASN A 7 -18.611 12.824 -0.918 1.00 71.68 O ATOM 63 ND2 ASN A 7 -17.718 13.936 0.825 1.00 60.81 N ATOM 64 HD22 ASN A 7 -17.882 14.495 1.687 1.00 0.00 H ATOM 65 HD21 ASN A 7 -16.747 13.725 0.519 1.00 0.00 H ATOM 66 H ASN A 7 -20.786 11.358 0.765 1.00 0.00 H ATOM 67 N GLY A 8 -22.672 12.831 2.976 1.00 50.63 N ATOM 68 CA GLY A 8 -23.734 13.216 3.877 1.00 50.03 C ATOM 69 C GLY A 8 -25.117 13.432 3.297 1.00 50.25 C ATOM 70 O GLY A 8 -25.987 13.937 4.015 1.00 57.61 O ATOM 71 H GLY A 8 -22.666 11.869 2.581 1.00 0.00 H ATOM 72 N THR A 9 -25.359 13.090 2.036 1.00 53.56 N ATOM 73 CA THR A 9 -26.737 13.028 1.562 1.00 52.77 C ATOM 74 C THR A 9 -27.471 11.935 2.330 1.00 53.27 C ATOM 75 O THR A 9 -26.892 10.897 2.654 1.00 55.54 O ATOM 76 CB THR A 9 -26.762 12.750 0.062 1.00 52.76 C ATOM 77 OG1 THR A 9 -25.869 13.651 -0.593 1.00 55.77 O ATOM 78 CG2 THR A 9 -28.153 12.941 -0.509 1.00 54.19 C ATOM 79 HG1 THR A 9 -25.881 13.475 -1.567 1.00 0.00 H ATOM 80 H THR A 9 -24.573 12.868 1.393 1.00 0.00 H ATOM 81 N ALA A 10 -28.739 12.164 2.658 1.00 49.49 N ATOM 82 CA ALA A 10 -29.429 11.219 3.529 1.00 49.26 C ATOM 83 C ALA A 10 -30.822 10.902 3.013 1.00 45.98 C ATOM 84 O ALA A 10 -31.596 11.821 2.736 1.00 53.97 O ATOM 85 CB ALA A 10 -29.527 11.768 4.954 1.00 53.15 C ATOM 86 H ALA A 10 -29.232 13.006 2.298 1.00 0.00 H ATOM 87 N ILE A 11 -31.138 9.616 2.895 1.00 41.94 N ATOM 88 CA ILE A 11 -32.496 9.154 2.610 1.00 43.27 C ATOM 89 C ILE A 11 -33.113 8.716 3.932 1.00 44.07 C ATOM 90 O ILE A 11 -32.557 7.825 4.593 1.00 45.14 O ATOM 91 CB ILE A 11 -32.530 7.999 1.592 1.00 40.56 C ATOM 92 CG1 ILE A 11 -31.878 8.378 0.262 1.00 36.23 C ATOM 93 CG2 ILE A 11 -33.969 7.578 1.321 1.00 36.62 C ATOM 94 CD1 ILE A 11 -32.035 7.317 -0.787 1.00 31.99 C ATOM 95 H ILE A 11 -30.386 8.907 3.011 1.00 0.00 H ATOM 96 N PRO A 12 -34.241 9.273 4.336 1.00 46.52 N ATOM 97 CA PRO A 12 -34.744 9.059 5.698 1.00 42.24 C ATOM 98 C PRO A 12 -35.424 7.703 5.847 1.00 42.90 C ATOM 99 O PRO A 12 -35.546 6.930 4.897 1.00 42.69 O ATOM 100 CB PRO A 12 -35.749 10.198 5.878 1.00 36.16 C ATOM 101 CG PRO A 12 -36.263 10.440 4.505 1.00 42.70 C ATOM 102 CD PRO A 12 -35.102 10.175 3.553 1.00 42.77 C ATOM 103 N ILE A 13 -35.858 7.429 7.082 1.00 42.09 N ATOM 104 CA ILE A 13 -36.742 6.304 7.369 1.00 42.68 C ATOM 105 C ILE A 13 -37.952 6.354 6.449 1.00 38.73 C ATOM 106 O ILE A 13 -38.633 7.381 6.345 1.00 31.17 O ATOM 107 CB ILE A 13 -37.161 6.328 8.855 1.00 41.34 C ATOM 108 CG1 ILE A 13 -36.092 5.666 9.728 1.00 42.11 C ATOM 109 CG2 ILE A 13 -38.519 5.663 9.059 1.00 44.20 C ATOM 110 CD1 ILE A 13 -36.332 5.810 11.202 1.00 41.86 C ATOM 111 H ILE A 13 -35.554 8.040 7.867 1.00 0.00 H ATOM 112 N GLY A 14 -38.229 5.235 5.783 1.00 37.40 N ATOM 113 CA GLY A 14 -39.354 5.124 4.877 1.00 38.97 C ATOM 114 C GLY A 14 -38.983 5.134 3.411 1.00 42.95 C ATOM 115 O GLY A 14 -39.835 4.810 2.572 1.00 48.37 O ATOM 116 H GLY A 14 -37.613 4.408 5.919 1.00 0.00 H ATOM 117 N GLY A 15 -37.751 5.493 3.070 1.00 39.92 N ATOM 118 CA GLY A 15 -37.327 5.539 1.683 1.00 44.01 C ATOM 119 C GLY A 15 -37.420 6.935 1.084 1.00 44.03 C ATOM 120 O GLY A 15 -37.863 7.904 1.711 1.00 38.65 O ATOM 121 H GLY A 15 -37.073 5.748 3.816 1.00 0.00 H ATOM 122 N GLY A 16 -37.007 7.011 -0.171 1.00 34.58 N ATOM 123 CA GLY A 16 -36.850 8.267 -0.867 1.00 30.67 C ATOM 124 C GLY A 16 -35.741 8.143 -1.892 1.00 35.98 C ATOM 125 O GLY A 16 -35.370 7.043 -2.296 1.00 35.34 O ATOM 126 H GLY A 16 -36.786 6.130 -0.677 1.00 0.00 H ATOM 127 N SER A 17 -35.206 9.288 -2.307 1.00 36.39 N ATOM 128 CA SER A 17 -34.181 9.272 -3.337 1.00 39.08 C ATOM 129 C SER A 17 -33.035 10.208 -2.965 1.00 40.45 C ATOM 130 O SER A 17 -33.143 11.058 -2.080 1.00 38.94 O ATOM 131 CB SER A 17 -34.760 9.618 -4.721 1.00 40.55 C ATOM 132 OG SER A 17 -35.314 10.917 -4.735 1.00 46.96 O ATOM 133 HG SER A 17 -35.677 11.110 -5.636 1.00 0.00 H ATOM 134 H SER A 17 -35.520 10.190 -1.896 1.00 0.00 H ATOM 135 N ALA A 18 -31.913 10.011 -3.650 1.00 45.94 N ATOM 136 CA ALA A 18 -30.719 10.810 -3.434 1.00 40.18 C ATOM 137 C ALA A 18 -29.876 10.740 -4.694 1.00 38.86 C ATOM 138 O ALA A 18 -29.983 9.799 -5.490 1.00 39.25 O ATOM 139 CB ALA A 18 -29.911 10.324 -2.228 1.00 35.81 C ATOM 140 H ALA A 18 -31.889 9.258 -4.367 1.00 0.00 H ATOM 141 N ASN A 19 -29.048 11.759 -4.863 1.00 39.17 N ATOM 142 CA ASN A 19 -27.985 11.759 -5.852 1.00 39.83 C ATOM 143 C ASN A 19 -26.669 11.403 -5.183 1.00 37.93 C ATOM 144 O ASN A 19 -26.414 11.784 -4.037 1.00 46.53 O ATOM 145 CB ASN A 19 -27.873 13.117 -6.533 1.00 40.64 C ATOM 146 CG ASN A 19 -29.109 13.470 -7.288 1.00 40.12 C ATOM 147 OD1 ASN A 19 -30.143 12.822 -7.138 1.00 43.42 O ATOM 148 ND2 ASN A 19 -29.018 14.487 -8.123 1.00 55.13 N ATOM 149 HD22 ASN A 19 -28.121 15.005 -8.216 1.00 0.00 H ATOM 150 HD21 ASN A 19 -29.843 14.771 -8.689 1.00 0.00 H ATOM 151 H ASN A 19 -29.164 12.598 -4.260 1.00 0.00 H ATOM 152 N VAL A 20 -25.849 10.652 -5.903 1.00 30.79 N ATOM 153 CA VAL A 20 -24.575 10.162 -5.410 1.00 35.63 C ATOM 154 C VAL A 20 -23.568 10.384 -6.515 1.00 42.33 C ATOM 155 O VAL A 20 -23.675 9.761 -7.577 1.00 42.35 O ATOM 156 CB VAL A 20 -24.615 8.670 -5.054 1.00 37.48 C ATOM 157 CG1 VAL A 20 -23.275 8.241 -4.487 1.00 36.14 C ATOM 158 CG2 VAL A 20 -25.748 8.376 -4.099 1.00 39.06 C ATOM 159 H VAL A 20 -26.133 10.401 -6.871 1.00 0.00 H ATOM 160 N TYR A 21 -22.588 11.248 -6.272 1.00 48.91 N ATOM 161 CA TYR A 21 -21.600 11.611 -7.280 1.00 43.68 C ATOM 162 C TYR A 21 -20.334 10.818 -7.020 1.00 42.01 C ATOM 163 O TYR A 21 -19.880 10.730 -5.874 1.00 48.36 O ATOM 164 CB TYR A 21 -21.336 13.118 -7.257 1.00 48.30 C ATOM 165 CG TYR A 21 -22.554 13.879 -7.712 1.00 45.79 C ATOM 166 CD1 TYR A 21 -23.641 14.053 -6.864 1.00 50.36 C ATOM 167 CD2 TYR A 21 -22.644 14.376 -9.001 1.00 47.78 C ATOM 168 CE1 TYR A 21 -24.775 14.712 -7.283 1.00 47.65 C ATOM 169 CE2 TYR A 21 -23.770 15.041 -9.429 1.00 48.01 C ATOM 170 CZ TYR A 21 -24.834 15.201 -8.563 1.00 50.56 C ATOM 171 OH TYR A 21 -25.969 15.855 -8.968 1.00 57.44 O ATOM 172 HH TYR A 21 -26.621 15.875 -8.223 1.00 0.00 H ATOM 173 H TYR A 21 -22.524 11.681 -5.328 1.00 0.00 H ATOM 174 N VAL A 22 -19.783 10.223 -8.078 1.00 43.13 N ATOM 175 CA VAL A 22 -18.694 9.259 -7.953 1.00 49.14 C ATOM 176 C VAL A 22 -17.547 9.647 -8.882 1.00 50.01 C ATOM 177 O VAL A 22 -17.756 10.186 -9.976 1.00 48.57 O ATOM 178 CB VAL A 22 -19.170 7.806 -8.243 1.00 49.55 C ATOM 179 CG1 VAL A 22 -20.365 7.437 -7.368 1.00 43.58 C ATOM 180 CG2 VAL A 22 -19.512 7.605 -9.733 1.00 44.50 C ATOM 181 H VAL A 22 -20.142 10.454 -9.026 1.00 0.00 H ATOM 182 N ASN A 23 -16.323 9.366 -8.430 1.00 49.98 N ATOM 183 CA ASN A 23 -15.128 9.531 -9.251 1.00 56.37 C ATOM 184 C ASN A 23 -14.825 8.240 -10.006 1.00 57.94 C ATOM 185 O ASN A 23 -14.895 7.141 -9.441 1.00 53.57 O ATOM 186 CB ASN A 23 -13.910 9.908 -8.400 1.00 53.87 C ATOM 187 CG ASN A 23 -14.190 11.032 -7.429 1.00 52.12 C ATOM 188 OD1 ASN A 23 -14.761 12.065 -7.787 1.00 54.71 O ATOM 189 ND2 ASN A 23 -13.780 10.837 -6.185 1.00 56.00 N ATOM 190 HD22 ASN A 23 -13.302 9.950 -5.928 1.00 0.00 H ATOM 191 HD21 ASN A 23 -13.936 11.571 -5.465 1.00 0.00 H ATOM 192 H ASN A 23 -16.217 9.016 -7.456 1.00 0.00 H ATOM 193 N LEU A 24 -14.448 8.382 -11.276 1.00 57.46 N ATOM 194 CA LEU A 24 -14.163 7.245 -12.138 1.00 54.86 C ATOM 195 C LEU A 24 -12.744 7.323 -12.686 1.00 53.34 C ATOM 196 O LEU A 24 -12.219 8.412 -12.929 1.00 58.13 O ATOM 197 CB LEU A 24 -15.159 7.190 -13.293 1.00 52.25 C ATOM 198 CG LEU A 24 -16.617 7.257 -12.864 1.00 47.56 C ATOM 199 CD1 LEU A 24 -17.515 7.282 -14.084 1.00 47.42 C ATOM 200 CD2 LEU A 24 -16.948 6.079 -11.940 1.00 43.39 C ATOM 201 H LEU A 24 -14.354 9.342 -11.666 1.00 0.00 H ATOM 202 N ALA A 25 -12.128 6.158 -12.871 1.00 54.70 N ATOM 203 CA ALA A 25 -10.861 6.087 -13.585 1.00 55.06 C ATOM 204 C ALA A 25 -10.971 6.868 -14.894 1.00 63.14 C ATOM 205 O ALA A 25 -11.989 6.763 -15.592 1.00 61.24 O ATOM 206 CB ALA A 25 -10.495 4.630 -13.880 1.00 53.71 C ATOM 207 H ALA A 25 -12.557 5.286 -12.501 1.00 0.00 H ATOM 208 N PRO A 26 -9.973 7.682 -15.247 1.00 65.39 N ATOM 209 CA PRO A 26 -10.100 8.492 -16.470 1.00 57.67 C ATOM 210 C PRO A 26 -9.952 7.699 -17.764 1.00 55.93 C ATOM 211 O PRO A 26 -10.426 8.163 -18.807 1.00 56.71 O ATOM 212 CB PRO A 26 -8.985 9.529 -16.312 1.00 59.47 C ATOM 213 CG PRO A 26 -7.964 8.833 -15.474 1.00 59.27 C ATOM 214 CD PRO A 26 -8.758 8.020 -14.488 1.00 58.25 C ATOM 215 N VAL A 27 -9.331 6.525 -17.751 1.00 51.99 N ATOM 216 CA VAL A 27 -9.168 5.745 -18.974 1.00 64.89 C ATOM 217 C VAL A 27 -9.485 4.283 -18.699 1.00 64.44 C ATOM 218 O VAL A 27 -8.975 3.696 -17.738 1.00 65.79 O ATOM 219 CB VAL A 27 -7.752 5.892 -19.579 1.00 71.57 C ATOM 220 CG1 VAL A 27 -6.675 5.674 -18.535 1.00 73.40 C ATOM 221 CG2 VAL A 27 -7.549 4.888 -20.714 1.00 65.74 C ATOM 222 H VAL A 27 -8.955 6.155 -16.855 1.00 0.00 H ATOM 223 N VAL A 28 -10.330 3.696 -19.545 1.00 58.39 N ATOM 224 CA VAL A 28 -10.589 2.262 -19.539 1.00 63.28 C ATOM 225 C VAL A 28 -10.395 1.730 -20.950 1.00 65.66 C ATOM 226 O VAL A 28 -10.967 2.268 -21.904 1.00 68.04 O ATOM 227 CB VAL A 28 -12.005 1.931 -19.037 1.00 59.93 C ATOM 228 CG1 VAL A 28 -12.154 0.425 -18.868 1.00 58.85 C ATOM 229 CG2 VAL A 28 -12.276 2.660 -17.734 1.00 61.05 C ATOM 230 H VAL A 28 -10.827 4.288 -20.241 1.00 0.00 H ATOM 231 N ASN A 29 -9.601 0.671 -21.084 1.00 67.63 N ATOM 232 CA ASN A 29 -9.342 0.088 -22.395 1.00 73.10 C ATOM 233 C ASN A 29 -10.300 -1.056 -22.684 1.00 70.67 C ATOM 234 O ASN A 29 -10.645 -1.836 -21.791 1.00 64.82 O ATOM 235 CB ASN A 29 -7.898 -0.401 -22.505 1.00 69.89 C ATOM 236 CG ASN A 29 -6.902 0.679 -22.161 1.00 69.77 C ATOM 237 OD1 ASN A 29 -6.937 1.773 -22.734 1.00 68.72 O ATOM 238 ND2 ASN A 29 -6.008 0.386 -21.218 1.00 66.14 N ATOM 239 HD22 ASN A 29 -6.019 -0.550 -20.764 1.00 0.00 H ATOM 240 HD21 ASN A 29 -5.299 1.093 -20.936 1.00 0.00 H ATOM 241 H ASN A 29 -9.158 0.253 -20.241 1.00 0.00 H ATOM 242 N VAL A 30 -10.733 -1.135 -23.942 1.00 66.93 N ATOM 243 CA VAL A 30 -11.589 -2.216 -24.414 1.00 68.92 C ATOM 244 C VAL A 30 -10.969 -3.556 -24.033 1.00 66.94 C ATOM 245 O VAL A 30 -9.918 -3.933 -24.554 1.00 69.31 O ATOM 246 CB VAL A 30 -11.820 -2.109 -25.937 1.00 72.16 C ATOM 247 CG1 VAL A 30 -12.543 -3.341 -26.469 1.00 68.63 C ATOM 248 CG2 VAL A 30 -12.633 -0.861 -26.271 1.00 66.44 C ATOM 249 H VAL A 30 -10.448 -0.395 -24.615 1.00 0.00 H ATOM 250 N GLY A 31 -11.613 -4.279 -23.119 1.00 66.53 N ATOM 251 CA GLY A 31 -11.071 -5.491 -22.536 1.00 67.92 C ATOM 252 C GLY A 31 -10.715 -5.349 -21.073 1.00 69.96 C ATOM 253 O GLY A 31 -10.347 -6.349 -20.437 1.00 63.54 O ATOM 254 H GLY A 31 -12.552 -3.958 -22.808 1.00 0.00 H ATOM 255 N GLN A 32 -10.815 -4.139 -20.523 1.00 77.13 N ATOM 256 CA GLN A 32 -10.498 -3.833 -19.135 1.00 74.52 C ATOM 257 C GLN A 32 -11.732 -3.299 -18.414 1.00 63.60 C ATOM 258 O GLN A 32 -12.737 -2.921 -19.027 1.00 64.88 O ATOM 259 CB GLN A 32 -9.348 -2.823 -19.047 1.00 71.14 C ATOM 260 CG GLN A 32 -8.026 -3.382 -19.534 1.00 74.44 C ATOM 261 CD GLN A 32 -7.449 -4.410 -18.571 1.00 81.86 C ATOM 262 OE1 GLN A 32 -6.712 -4.061 -17.641 1.00 81.75 O ATOM 263 NE2 GLN A 32 -7.780 -5.684 -18.789 1.00 77.38 N ATOM 264 HE22 GLN A 32 -8.403 -5.931 -19.584 1.00 0.00 H ATOM 265 HE21 GLN A 32 -7.415 -6.430 -18.164 1.00 0.00 H ATOM 266 H GLN A 32 -11.142 -3.359 -21.128 1.00 0.00 H ATOM 267 N ASN A 33 -11.635 -3.248 -17.095 1.00 58.80 N ATOM 268 CA ASN A 33 -12.781 -2.958 -16.251 1.00 59.15 C ATOM 269 C ASN A 33 -12.799 -1.516 -15.755 1.00 56.18 C ATOM 270 O ASN A 33 -11.774 -0.969 -15.340 1.00 59.35 O ATOM 271 CB ASN A 33 -12.800 -3.913 -15.061 1.00 59.73 C ATOM 272 CG ASN A 33 -13.654 -5.121 -15.315 1.00 54.20 C ATOM 273 OD1 ASN A 33 -14.572 -5.078 -16.130 1.00 53.29 O ATOM 274 ND2 ASN A 33 -13.364 -6.210 -14.620 1.00 61.52 N ATOM 275 HD22 ASN A 33 -12.577 -6.199 -13.941 1.00 0.00 H ATOM 276 HD21 ASN A 33 -13.923 -7.076 -14.754 1.00 0.00 H ATOM 277 H ASN A 33 -10.711 -3.421 -16.650 1.00 0.00 H ATOM 278 N LEU A 34 -13.982 -0.914 -15.804 1.00 51.93 N ATOM 279 CA LEU A 34 -14.290 0.316 -15.086 1.00 53.05 C ATOM 280 C LEU A 34 -15.133 -0.055 -13.859 1.00 53.32 C ATOM 281 O LEU A 34 -16.300 -0.438 -14.000 1.00 52.22 O ATOM 282 CB LEU A 34 -15.035 1.275 -16.007 1.00 40.21 C ATOM 283 CG LEU A 34 -15.775 2.454 -15.376 1.00 44.37 C ATOM 284 CD1 LEU A 34 -14.795 3.398 -14.698 1.00 51.20 C ATOM 285 CD2 LEU A 34 -16.631 3.181 -16.392 1.00 42.95 C ATOM 286 H LEU A 34 -14.729 -1.344 -16.386 1.00 0.00 H ATOM 287 N VAL A 35 -14.537 0.027 -12.649 1.00 45.79 N ATOM 288 CA VAL A 35 -15.238 -0.345 -11.417 1.00 48.48 C ATOM 289 C VAL A 35 -15.911 0.866 -10.772 1.00 49.10 C ATOM 290 O VAL A 35 -15.333 1.958 -10.685 1.00 51.05 O ATOM 291 CB VAL A 35 -14.282 -1.024 -10.419 1.00 50.91 C ATOM 292 CG1 VAL A 35 -15.046 -1.445 -9.165 1.00 49.06 C ATOM 293 CG2 VAL A 35 -13.599 -2.221 -11.055 1.00 50.26 C ATOM 294 H VAL A 35 -13.555 0.363 -12.591 1.00 0.00 H ATOM 295 N VAL A 36 -17.140 0.657 -10.297 1.00 47.66 N ATOM 296 CA VAL A 36 -17.906 1.639 -9.530 1.00 45.84 C ATOM 297 C VAL A 36 -18.259 0.963 -8.208 1.00 45.07 C ATOM 298 O VAL A 36 -19.220 0.192 -8.134 1.00 49.83 O ATOM 299 CB VAL A 36 -19.166 2.098 -10.274 1.00 43.37 C ATOM 300 CG1 VAL A 36 -19.814 3.275 -9.579 1.00 40.50 C ATOM 301 CG2 VAL A 36 -18.839 2.433 -11.709 1.00 48.69 C ATOM 302 H VAL A 36 -17.583 -0.265 -10.484 1.00 0.00 H ATOM 303 N ASP A 37 -17.490 1.231 -7.159 1.00 44.65 N ATOM 304 CA ASP A 37 -17.684 0.574 -5.862 1.00 44.48 C ATOM 305 C ASP A 37 -18.487 1.490 -4.942 1.00 45.93 C ATOM 306 O ASP A 37 -17.929 2.252 -4.151 1.00 50.30 O ATOM 307 CB ASP A 37 -16.347 0.215 -5.232 1.00 46.30 C ATOM 308 CG ASP A 37 -16.504 -0.593 -3.962 1.00 55.76 C ATOM 309 OD1 ASP A 37 -17.384 -1.482 -3.924 1.00 54.61 O ATOM 310 OD2 ASP A 37 -15.754 -0.330 -2.995 1.00 57.93 O ATOM 311 H ASP A 37 -16.726 1.929 -7.260 1.00 0.00 H ATOM 312 N LEU A 38 -19.814 1.387 -5.023 1.00 44.99 N ATOM 313 CA LEU A 38 -20.687 2.180 -4.167 1.00 44.30 C ATOM 314 C LEU A 38 -20.601 1.789 -2.688 1.00 44.10 C ATOM 315 O LEU A 38 -21.142 2.512 -1.843 1.00 39.69 O ATOM 316 CB LEU A 38 -22.137 2.065 -4.656 1.00 38.95 C ATOM 317 CG LEU A 38 -22.463 2.583 -6.067 1.00 50.96 C ATOM 318 CD1 LEU A 38 -21.757 3.911 -6.363 1.00 47.84 C ATOM 319 CD2 LEU A 38 -22.165 1.565 -7.173 1.00 45.27 C ATOM 320 H LEU A 38 -20.234 0.728 -5.710 1.00 0.00 H ATOM 321 N SER A 39 -19.945 0.677 -2.344 1.00 39.88 N ATOM 322 CA SER A 39 -19.837 0.339 -0.930 1.00 47.63 C ATOM 323 C SER A 39 -18.909 1.286 -0.178 1.00 52.17 C ATOM 324 O SER A 39 -18.827 1.207 1.052 1.00 46.66 O ATOM 325 CB SER A 39 -19.375 -1.111 -0.745 1.00 44.50 C ATOM 326 OG SER A 39 -17.993 -1.246 -1.003 1.00 48.00 O ATOM 327 HG SER A 39 -17.804 -0.971 -1.935 1.00 0.00 H ATOM 328 H SER A 39 -19.520 0.065 -3.070 1.00 0.00 H ATOM 329 N THR A 40 -18.221 2.182 -0.874 1.00 50.08 N ATOM 330 CA THR A 40 -17.485 3.241 -0.206 1.00 46.77 C ATOM 331 C THR A 40 -18.292 4.521 -0.081 1.00 43.33 C ATOM 332 O THR A 40 -17.768 5.518 0.419 1.00 47.23 O ATOM 333 CB THR A 40 -16.186 3.545 -0.956 1.00 46.17 C ATOM 334 OG1 THR A 40 -16.487 4.289 -2.141 1.00 48.56 O ATOM 335 CG2 THR A 40 -15.487 2.268 -1.336 1.00 46.10 C ATOM 336 HG1 THR A 40 -17.088 3.756 -2.720 1.00 0.00 H ATOM 337 H THR A 40 -18.209 2.125 -1.912 1.00 0.00 H ATOM 338 N GLN A 41 -19.537 4.531 -0.545 1.00 48.43 N ATOM 339 CA GLN A 41 -20.300 5.767 -0.627 1.00 49.60 C ATOM 340 C GLN A 41 -21.734 5.665 -0.132 1.00 44.88 C ATOM 341 O GLN A 41 -22.364 6.709 0.041 1.00 45.87 O ATOM 342 CB GLN A 41 -20.324 6.302 -2.072 1.00 36.98 C ATOM 343 CG GLN A 41 -18.953 6.649 -2.621 1.00 44.11 C ATOM 344 CD GLN A 41 -18.999 7.654 -3.776 1.00 57.14 C ATOM 345 OE1 GLN A 41 -18.335 7.466 -4.803 1.00 59.09 O ATOM 346 NE2 GLN A 41 -19.762 8.738 -3.602 1.00 48.40 N ATOM 347 HE22 GLN A 41 -20.304 8.856 -2.723 1.00 0.00 H ATOM 348 HE21 GLN A 41 -19.813 9.463 -4.346 1.00 0.00 H ATOM 349 H GLN A 41 -19.974 3.640 -0.855 1.00 0.00 H ATOM 350 N ILE A 42 -22.278 4.470 0.087 1.00 40.04 N ATOM 351 CA ILE A 42 -23.662 4.326 0.523 1.00 41.55 C ATOM 352 C ILE A 42 -23.672 3.435 1.749 1.00 37.09 C ATOM 353 O ILE A 42 -23.097 2.342 1.723 1.00 39.26 O ATOM 354 CB ILE A 42 -24.570 3.761 -0.592 1.00 41.59 C ATOM 355 CG1 ILE A 42 -24.608 4.741 -1.778 1.00 38.99 C ATOM 356 CG2 ILE A 42 -25.979 3.490 -0.052 1.00 33.38 C ATOM 357 CD1 ILE A 42 -25.290 4.226 -3.028 1.00 34.41 C ATOM 358 H ILE A 42 -21.701 3.617 -0.057 1.00 0.00 H ATOM 359 N PHE A 43 -24.304 3.911 2.824 1.00 30.82 N ATOM 360 CA PHE A 43 -24.226 3.268 4.126 1.00 35.78 C ATOM 361 C PHE A 43 -25.610 3.265 4.749 1.00 39.46 C ATOM 362 O PHE A 43 -26.357 4.233 4.599 1.00 41.70 O ATOM 363 CB PHE A 43 -23.232 3.998 5.050 1.00 41.51 C ATOM 364 CG PHE A 43 -21.818 4.025 4.526 1.00 36.65 C ATOM 365 CD1 PHE A 43 -20.915 3.033 4.874 1.00 40.20 C ATOM 366 CD2 PHE A 43 -21.399 5.033 3.672 1.00 40.62 C ATOM 367 CE1 PHE A 43 -19.623 3.041 4.384 1.00 33.70 C ATOM 368 CE2 PHE A 43 -20.105 5.051 3.174 1.00 40.50 C ATOM 369 CZ PHE A 43 -19.218 4.048 3.532 1.00 39.33 C ATOM 370 H PHE A 43 -24.874 4.775 2.727 1.00 0.00 H ATOM 371 N CYS A 44 -25.950 2.183 5.451 1.00 39.92 N ATOM 372 CA CYS A 44 -27.269 1.978 6.042 1.00 40.87 C ATOM 373 C CYS A 44 -27.107 1.444 7.461 1.00 42.70 C ATOM 374 O CYS A 44 -26.021 1.025 7.868 1.00 42.89 O ATOM 375 CB CYS A 44 -28.114 0.999 5.210 1.00 39.10 C ATOM 376 SG CYS A 44 -27.536 0.747 3.505 1.00 40.67 S ATOM 377 H CYS A 44 -25.233 1.442 5.585 1.00 0.00 H ATOM 378 N HIS A 45 -28.210 1.414 8.208 1.00 41.96 N ATOM 379 CA HIS A 45 -28.157 0.877 9.564 1.00 45.86 C ATOM 380 C HIS A 45 -29.558 0.509 10.047 1.00 42.65 C ATOM 381 O HIS A 45 -30.554 1.152 9.698 1.00 40.34 O ATOM 382 CB HIS A 45 -27.505 1.872 10.546 1.00 41.93 C ATOM 383 CG HIS A 45 -28.286 3.137 10.733 1.00 40.62 C ATOM 384 ND1 HIS A 45 -28.330 4.136 9.781 1.00 36.99 N ATOM 385 CD2 HIS A 45 -29.065 3.561 11.757 1.00 40.38 C ATOM 386 CE1 HIS A 45 -29.100 5.119 10.213 1.00 38.87 C ATOM 387 NE2 HIS A 45 -29.553 4.799 11.413 1.00 38.47 N ATOM 388 H HIS A 45 -29.108 1.773 7.825 1.00 0.00 H ATOM 389 N ASN A 46 -29.608 -0.543 10.855 1.00 39.85 N ATOM 390 CA ASN A 46 -30.810 -0.903 11.587 1.00 39.47 C ATOM 391 C ASN A 46 -31.036 0.096 12.723 1.00 45.76 C ATOM 392 O ASN A 46 -30.095 0.444 13.446 1.00 46.59 O ATOM 393 CB ASN A 46 -30.642 -2.315 12.128 1.00 40.53 C ATOM 394 CG ASN A 46 -31.913 -2.895 12.646 1.00 38.67 C ATOM 395 OD1 ASN A 46 -32.711 -2.225 13.312 1.00 33.60 O ATOM 396 ND2 ASN A 46 -32.113 -4.174 12.353 1.00 42.61 N ATOM 397 HD22 ASN A 46 -31.411 -4.694 11.789 1.00 0.00 H ATOM 398 HD21 ASN A 46 -32.972 -4.656 12.687 1.00 0.00 H ATOM 399 H ASN A 46 -28.757 -1.130 10.968 1.00 0.00 H ATOM 400 N ASP A 47 -32.280 0.563 12.882 1.00 40.52 N ATOM 401 CA ASP A 47 -32.602 1.607 13.850 1.00 39.44 C ATOM 402 C ASP A 47 -33.174 1.059 15.153 1.00 45.98 C ATOM 403 O ASP A 47 -33.473 1.840 16.057 1.00 43.43 O ATOM 404 CB ASP A 47 -33.579 2.624 13.245 1.00 37.95 C ATOM 405 CG ASP A 47 -32.867 3.774 12.533 1.00 45.57 C ATOM 406 OD1 ASP A 47 -32.145 4.539 13.213 1.00 42.54 O ATOM 407 OD2 ASP A 47 -33.041 3.931 11.300 1.00 43.48 O ATOM 408 H ASP A 47 -33.043 0.169 12.296 1.00 0.00 H ATOM 409 N TYR A 48 -33.333 -0.256 15.271 1.00 45.77 N ATOM 410 CA TYR A 48 -33.730 -0.880 16.525 1.00 40.18 C ATOM 411 C TYR A 48 -33.418 -2.365 16.470 1.00 41.43 C ATOM 412 O TYR A 48 -34.335 -3.187 16.551 1.00 47.00 O ATOM 413 CB TYR A 48 -35.221 -0.683 16.813 1.00 44.12 C ATOM 414 CG TYR A 48 -35.576 -0.918 18.265 1.00 49.91 C ATOM 415 CD1 TYR A 48 -35.383 0.084 19.213 1.00 50.99 C ATOM 416 CD2 TYR A 48 -36.079 -2.144 18.699 1.00 50.65 C ATOM 417 CE1 TYR A 48 -35.698 -0.121 20.556 1.00 57.70 C ATOM 418 CE2 TYR A 48 -36.392 -2.362 20.041 1.00 51.09 C ATOM 419 CZ TYR A 48 -36.204 -1.343 20.965 1.00 55.15 C ATOM 420 OH TYR A 48 -36.514 -1.538 22.296 1.00 58.04 O ATOM 421 HH TYR A 48 -36.318 -0.711 22.804 1.00 0.00 H ATOM 422 H TYR A 48 -33.168 -0.859 14.440 1.00 0.00 H ATOM 423 N PRO A 49 -32.151 -2.757 16.338 1.00 43.02 N ATOM 424 CA PRO A 49 -31.841 -4.193 16.214 1.00 42.47 C ATOM 425 C PRO A 49 -32.242 -5.018 17.427 1.00 47.03 C ATOM 426 O PRO A 49 -32.254 -6.253 17.325 1.00 49.70 O ATOM 427 CB PRO A 49 -30.322 -4.218 16.010 1.00 36.41 C ATOM 428 CG PRO A 49 -29.835 -2.912 16.512 1.00 42.19 C ATOM 429 CD PRO A 49 -30.943 -1.916 16.347 1.00 41.67 C ATOM 430 N GLU A 50 -32.553 -4.386 18.565 1.00 44.37 N ATOM 431 CA GLU A 50 -32.952 -5.139 19.749 1.00 45.81 C ATOM 432 C GLU A 50 -34.062 -6.117 19.417 1.00 46.24 C ATOM 433 O GLU A 50 -34.048 -7.272 19.849 1.00 48.38 O ATOM 434 CB GLU A 50 -33.406 -4.181 20.851 1.00 51.99 C ATOM 435 CG GLU A 50 -32.291 -3.338 21.471 1.00 55.86 C ATOM 436 CD GLU A 50 -31.892 -2.149 20.608 1.00 56.90 C ATOM 437 OE1 GLU A 50 -32.498 -1.965 19.527 1.00 49.85 O ATOM 438 OE2 GLU A 50 -30.968 -1.404 21.014 1.00 57.29 O ATOM 439 H GLU A 50 -32.510 -3.348 18.606 1.00 0.00 H ATOM 440 N THR A 51 -35.001 -5.683 18.621 1.00 47.11 N ATOM 441 CA THR A 51 -36.162 -6.465 18.259 1.00 42.34 C ATOM 442 C THR A 51 -36.184 -6.819 16.783 1.00 46.64 C ATOM 443 O THR A 51 -36.568 -7.937 16.415 1.00 40.51 O ATOM 444 CB THR A 51 -37.397 -5.652 18.646 1.00 44.04 C ATOM 445 OG1 THR A 51 -37.547 -5.696 20.073 1.00 50.98 O ATOM 446 CG2 THR A 51 -38.632 -6.176 17.985 1.00 43.95 C ATOM 447 HG1 THR A 51 -38.345 -5.172 20.336 1.00 0.00 H ATOM 448 H THR A 51 -34.909 -4.725 18.227 1.00 0.00 H ATOM 449 N ILE A 52 -35.692 -5.915 15.941 1.00 43.85 N ATOM 450 CA ILE A 52 -35.908 -5.947 14.506 1.00 39.56 C ATOM 451 C ILE A 52 -34.628 -6.334 13.782 1.00 39.55 C ATOM 452 O ILE A 52 -33.510 -6.014 14.207 1.00 41.58 O ATOM 453 CB ILE A 52 -36.429 -4.576 14.034 1.00 39.46 C ATOM 454 CG1 ILE A 52 -37.687 -4.206 14.822 1.00 34.84 C ATOM 455 CG2 ILE A 52 -36.707 -4.595 12.542 1.00 41.08 C ATOM 456 CD1 ILE A 52 -38.320 -2.948 14.379 1.00 35.17 C ATOM 457 H ILE A 52 -35.119 -5.140 16.333 1.00 0.00 H ATOM 458 N THR A 53 -34.805 -7.044 12.679 1.00 36.74 N ATOM 459 CA THR A 53 -33.737 -7.363 11.744 1.00 41.22 C ATOM 460 C THR A 53 -34.146 -6.888 10.353 1.00 46.27 C ATOM 461 O THR A 53 -35.235 -7.225 9.874 1.00 43.36 O ATOM 462 CB THR A 53 -33.470 -8.860 11.749 1.00 39.55 C ATOM 463 OG1 THR A 53 -32.984 -9.238 13.042 1.00 43.41 O ATOM 464 CG2 THR A 53 -32.466 -9.221 10.693 1.00 38.59 C ATOM 465 HG1 THR A 53 -33.664 -9.016 13.727 1.00 0.00 H ATOM 466 H THR A 53 -35.762 -7.394 12.469 1.00 0.00 H ATOM 467 N ASP A 54 -33.292 -6.090 9.714 1.00 42.92 N ATOM 468 CA ASP A 54 -33.612 -5.490 8.423 1.00 40.58 C ATOM 469 C ASP A 54 -32.984 -6.284 7.274 1.00 37.67 C ATOM 470 O ASP A 54 -31.827 -6.706 7.348 1.00 35.39 O ATOM 471 CB ASP A 54 -33.154 -4.027 8.378 1.00 38.42 C ATOM 472 CG ASP A 54 -34.021 -3.107 9.236 1.00 37.72 C ATOM 473 OD1 ASP A 54 -35.251 -3.308 9.271 1.00 42.88 O ATOM 474 OD2 ASP A 54 -33.484 -2.169 9.867 1.00 37.29 O ATOM 475 H ASP A 54 -32.369 -5.888 10.149 1.00 0.00 H ATOM 476 N TYR A 55 -33.762 -6.485 6.213 1.00 41.25 N ATOM 477 CA TYR A 55 -33.334 -7.199 5.014 1.00 42.18 C ATOM 478 C TYR A 55 -33.253 -6.236 3.833 1.00 39.28 C ATOM 479 O TYR A 55 -34.194 -5.472 3.584 1.00 35.59 O ATOM 480 CB TYR A 55 -34.303 -8.338 4.705 1.00 39.64 C ATOM 481 CG TYR A 55 -34.477 -9.289 5.866 1.00 47.95 C ATOM 482 CD1 TYR A 55 -33.368 -9.798 6.536 1.00 48.25 C ATOM 483 CD2 TYR A 55 -35.746 -9.663 6.306 1.00 48.78 C ATOM 484 CE1 TYR A 55 -33.511 -10.671 7.596 1.00 52.36 C ATOM 485 CE2 TYR A 55 -35.907 -10.528 7.369 1.00 52.91 C ATOM 486 CZ TYR A 55 -34.786 -11.036 8.015 1.00 62.11 C ATOM 487 OH TYR A 55 -34.938 -11.908 9.081 1.00 58.55 O ATOM 488 HH TYR A 55 -34.046 -12.170 9.421 1.00 0.00 H ATOM 489 H TYR A 55 -34.732 -6.111 6.240 1.00 0.00 H ATOM 490 N VAL A 56 -32.143 -6.288 3.096 1.00 34.00 N ATOM 491 CA VAL A 56 -31.865 -5.319 2.044 1.00 36.45 C ATOM 492 C VAL A 56 -31.481 -6.046 0.756 1.00 37.15 C ATOM 493 O VAL A 56 -30.481 -6.777 0.719 1.00 36.23 O ATOM 494 CB VAL A 56 -30.761 -4.344 2.467 1.00 39.24 C ATOM 495 CG1 VAL A 56 -30.072 -3.745 1.237 1.00 43.81 C ATOM 496 CG2 VAL A 56 -31.356 -3.266 3.362 1.00 40.04 C ATOM 497 H VAL A 56 -31.453 -7.045 3.278 1.00 0.00 H ATOM 498 N THR A 57 -32.262 -5.833 -0.297 1.00 34.77 N ATOM 499 CA THR A 57 -31.952 -6.332 -1.632 1.00 40.11 C ATOM 500 C THR A 57 -31.623 -5.171 -2.552 1.00 35.11 C ATOM 501 O THR A 57 -32.013 -4.024 -2.308 1.00 35.79 O ATOM 502 CB THR A 57 -33.132 -7.091 -2.251 1.00 42.45 C ATOM 503 OG1 THR A 57 -34.228 -6.177 -2.416 1.00 47.30 O ATOM 504 CG2 THR A 57 -33.574 -8.259 -1.370 1.00 40.55 C ATOM 505 HG1 THR A 57 -34.998 -6.655 -2.815 1.00 0.00 H ATOM 506 H THR A 57 -33.136 -5.285 -0.163 1.00 0.00 H ATOM 507 N LEU A 58 -30.930 -5.487 -3.638 1.00 38.23 N ATOM 508 CA LEU A 58 -30.907 -4.602 -4.801 1.00 31.24 C ATOM 509 C LEU A 58 -32.077 -5.025 -5.675 1.00 35.58 C ATOM 510 O LEU A 58 -31.995 -6.031 -6.387 1.00 36.15 O ATOM 511 CB LEU A 58 -29.586 -4.688 -5.549 1.00 29.75 C ATOM 512 CG LEU A 58 -29.658 -3.869 -6.841 1.00 33.12 C ATOM 513 CD1 LEU A 58 -29.921 -2.416 -6.511 1.00 34.84 C ATOM 514 CD2 LEU A 58 -28.418 -4.004 -7.679 1.00 22.80 C ATOM 515 H LEU A 58 -30.395 -6.378 -3.662 1.00 0.00 H ATOM 516 N GLN A 59 -33.181 -4.263 -5.609 1.00 32.77 N ATOM 517 CA GLN A 59 -34.388 -4.643 -6.336 1.00 34.39 C ATOM 518 C GLN A 59 -34.176 -4.572 -7.844 1.00 40.87 C ATOM 519 O GLN A 59 -34.694 -5.407 -8.599 1.00 42.52 O ATOM 520 CB GLN A 59 -35.555 -3.748 -5.928 1.00 32.93 C ATOM 521 CG GLN A 59 -36.847 -4.142 -6.625 1.00 38.07 C ATOM 522 CD GLN A 59 -38.049 -3.313 -6.214 1.00 43.71 C ATOM 523 OE1 GLN A 59 -37.936 -2.151 -5.821 1.00 43.07 O ATOM 524 NE2 GLN A 59 -39.220 -3.919 -6.306 1.00 52.53 N ATOM 525 HE22 GLN A 59 -39.272 -4.902 -6.643 1.00 0.00 H ATOM 526 HE21 GLN A 59 -40.089 -3.413 -6.042 1.00 0.00 H ATOM 527 H GLN A 59 -33.176 -3.395 -5.035 1.00 0.00 H ATOM 528 N ARG A 60 -33.378 -3.614 -8.292 1.00 38.63 N ATOM 529 CA ARG A 60 -33.388 -3.189 -9.680 1.00 38.42 C ATOM 530 C ARG A 60 -32.218 -2.249 -9.910 1.00 39.76 C ATOM 531 O ARG A 60 -31.938 -1.389 -9.066 1.00 42.15 O ATOM 532 CB ARG A 60 -34.720 -2.503 -9.991 1.00 36.28 C ATOM 533 CG ARG A 60 -34.808 -1.865 -11.332 1.00 39.09 C ATOM 534 CD ARG A 60 -36.205 -2.016 -11.899 1.00 43.27 C ATOM 535 NE ARG A 60 -37.242 -1.173 -11.294 1.00 42.27 N ATOM 536 CZ ARG A 60 -38.181 -1.619 -10.455 1.00 48.35 C ATOM 537 NH1 ARG A 60 -39.115 -0.798 -9.975 1.00 39.36 N ATOM 538 NH2 ARG A 60 -38.193 -2.896 -10.091 1.00 50.50 N ATOM 539 HE ARG A 60 -37.246 -0.161 -11.534 1.00 0.00 H ATOM 540 HH12 ARG A 60 -39.840 -1.160 -9.323 1.00 0.00 H ATOM 541 HH11 ARG A 60 -39.119 0.204 -10.253 1.00 0.00 H ATOM 542 HH22 ARG A 60 -38.924 -3.244 -9.438 1.00 0.00 H ATOM 543 HH21 ARG A 60 -37.472 -3.548 -10.459 1.00 0.00 H ATOM 544 H ARG A 60 -32.724 -3.152 -7.628 1.00 0.00 H ATOM 545 N GLY A 61 -31.514 -2.434 -11.011 1.00 36.74 N ATOM 546 CA GLY A 61 -30.478 -1.503 -11.425 1.00 38.80 C ATOM 547 C GLY A 61 -30.570 -1.246 -12.913 1.00 36.49 C ATOM 548 O GLY A 61 -30.833 -2.157 -13.697 1.00 38.99 O ATOM 549 H GLY A 61 -31.706 -3.270 -11.599 1.00 0.00 H ATOM 550 N SER A 62 -30.343 0.005 -13.297 1.00 41.58 N ATOM 551 CA SER A 62 -30.521 0.426 -14.682 1.00 43.21 C ATOM 552 C SER A 62 -29.402 1.379 -15.075 1.00 37.20 C ATOM 553 O SER A 62 -28.867 2.116 -14.244 1.00 41.46 O ATOM 554 CB SER A 62 -31.879 1.099 -14.870 1.00 45.03 C ATOM 555 OG SER A 62 -32.848 0.436 -14.071 1.00 59.47 O ATOM 556 HG SER A 62 -33.728 0.872 -14.193 1.00 0.00 H ATOM 557 H SER A 62 -30.030 0.702 -12.592 1.00 0.00 H ATOM 558 N ALA A 63 -29.042 1.349 -16.346 1.00 37.80 N ATOM 559 CA ALA A 63 -27.933 2.129 -16.871 1.00 37.10 C ATOM 560 C ALA A 63 -28.464 3.287 -17.708 1.00 40.77 C ATOM 561 O ALA A 63 -29.512 3.179 -18.356 1.00 40.17 O ATOM 562 CB ALA A 63 -27.003 1.251 -17.714 1.00 39.52 C ATOM 563 H ALA A 63 -29.575 0.741 -17.000 1.00 0.00 H ATOM 564 N TYR A 64 -27.740 4.409 -17.680 1.00 39.84 N ATOM 565 CA TYR A 64 -28.184 5.619 -18.357 1.00 37.96 C ATOM 566 C TYR A 64 -27.019 6.249 -19.102 1.00 38.94 C ATOM 567 O TYR A 64 -25.850 5.948 -18.837 1.00 39.14 O ATOM 568 CB TYR A 64 -28.818 6.604 -17.367 1.00 34.58 C ATOM 569 CG TYR A 64 -30.088 6.019 -16.841 1.00 37.10 C ATOM 570 CD1 TYR A 64 -30.070 5.165 -15.750 1.00 34.77 C ATOM 571 CD2 TYR A 64 -31.298 6.256 -17.479 1.00 38.12 C ATOM 572 CE1 TYR A 64 -31.209 4.579 -15.292 1.00 39.87 C ATOM 573 CE2 TYR A 64 -32.456 5.680 -17.021 1.00 41.81 C ATOM 574 CZ TYR A 64 -32.407 4.834 -15.922 1.00 43.95 C ATOM 575 OH TYR A 64 -33.549 4.229 -15.435 1.00 49.20 O ATOM 576 HH TYR A 64 -33.316 3.667 -14.654 1.00 0.00 H ATOM 577 H TYR A 64 -26.838 4.419 -17.162 1.00 0.00 H ATOM 578 N GLY A 65 -27.366 7.101 -20.070 1.00 33.73 N ATOM 579 CA GLY A 65 -26.395 7.854 -20.834 1.00 32.59 C ATOM 580 C GLY A 65 -25.227 7.055 -21.368 1.00 33.23 C ATOM 581 O GLY A 65 -25.381 6.126 -22.163 1.00 31.31 O ATOM 582 H GLY A 65 -28.376 7.229 -20.284 1.00 0.00 H ATOM 583 N GLY A 66 -24.036 7.408 -20.904 1.00 40.24 N ATOM 584 CA GLY A 66 -22.836 6.809 -21.458 1.00 37.63 C ATOM 585 C GLY A 66 -22.727 5.322 -21.187 1.00 41.29 C ATOM 586 O GLY A 66 -22.515 4.540 -22.111 1.00 46.42 O ATOM 587 H GLY A 66 -23.962 8.114 -20.144 1.00 0.00 H ATOM 588 N VAL A 67 -22.862 4.906 -19.918 1.00 44.16 N ATOM 589 CA VAL A 67 -22.713 3.480 -19.612 1.00 46.23 C ATOM 590 C VAL A 67 -23.763 2.645 -20.345 1.00 43.93 C ATOM 591 O VAL A 67 -23.498 1.492 -20.716 1.00 43.40 O ATOM 592 CB VAL A 67 -22.758 3.206 -18.094 1.00 40.99 C ATOM 593 CG1 VAL A 67 -21.782 4.096 -17.351 1.00 40.46 C ATOM 594 CG2 VAL A 67 -24.132 3.387 -17.590 1.00 38.57 C ATOM 595 H VAL A 67 -23.070 5.588 -19.160 1.00 0.00 H ATOM 596 N LEU A 68 -24.947 3.216 -20.605 1.00 39.86 N ATOM 597 CA LEU A 68 -26.004 2.476 -21.277 1.00 38.15 C ATOM 598 C LEU A 68 -25.638 2.082 -22.701 1.00 48.57 C ATOM 599 O LEU A 68 -26.241 1.153 -23.239 1.00 57.21 O ATOM 600 CB LEU A 68 -27.292 3.294 -21.300 1.00 39.71 C ATOM 601 CG LEU A 68 -28.537 2.624 -21.892 1.00 34.25 C ATOM 602 CD1 LEU A 68 -28.661 1.220 -21.364 1.00 41.33 C ATOM 603 CD2 LEU A 68 -29.783 3.421 -21.559 1.00 35.06 C ATOM 604 H LEU A 68 -25.113 4.203 -20.322 1.00 0.00 H ATOM 605 N SER A 69 -24.663 2.737 -23.325 1.00 44.99 N ATOM 606 CA SER A 69 -24.453 2.544 -24.751 1.00 41.89 C ATOM 607 C SER A 69 -23.057 2.091 -25.150 1.00 48.55 C ATOM 608 O SER A 69 -22.921 1.495 -26.225 1.00 49.77 O ATOM 609 CB SER A 69 -24.780 3.831 -25.510 1.00 39.08 C ATOM 610 OG SER A 69 -23.973 4.884 -25.027 1.00 40.89 O ATOM 611 HG SER A 69 -23.019 4.656 -25.161 1.00 0.00 H ATOM 612 H SER A 69 -24.050 3.388 -22.793 1.00 0.00 H ATOM 613 N ASN A 70 -22.020 2.346 -24.354 1.00 44.81 N ATOM 614 CA ASN A 70 -20.665 1.946 -24.717 1.00 45.08 C ATOM 615 C ASN A 70 -20.113 0.881 -23.789 1.00 43.97 C ATOM 616 O ASN A 70 -18.923 0.567 -23.871 1.00 43.62 O ATOM 617 CB ASN A 70 -19.741 3.157 -24.705 1.00 49.71 C ATOM 618 CG ASN A 70 -20.258 4.275 -25.568 1.00 58.44 C ATOM 619 OD1 ASN A 70 -20.821 5.247 -25.061 1.00 52.23 O ATOM 620 ND2 ASN A 70 -20.087 4.143 -26.890 1.00 64.09 N ATOM 621 HD22 ASN A 70 -19.605 3.304 -27.271 1.00 0.00 H ATOM 622 HD21 ASN A 70 -20.436 4.880 -27.536 1.00 0.00 H ATOM 623 H ASN A 70 -22.180 2.841 -23.454 1.00 0.00 H ATOM 624 N PHE A 71 -20.947 0.331 -22.900 1.00 45.57 N ATOM 625 CA PHE A 71 -20.493 -0.575 -21.855 1.00 40.51 C ATOM 626 C PHE A 71 -21.414 -1.780 -21.720 1.00 34.33 C ATOM 627 O PHE A 71 -22.629 -1.668 -21.864 1.00 38.79 O ATOM 628 CB PHE A 71 -20.406 0.144 -20.507 1.00 45.13 C ATOM 629 CG PHE A 71 -19.196 1.015 -20.355 1.00 43.82 C ATOM 630 CD1 PHE A 71 -19.252 2.362 -20.646 1.00 37.50 C ATOM 631 CD2 PHE A 71 -18.008 0.483 -19.898 1.00 49.47 C ATOM 632 CE1 PHE A 71 -18.150 3.155 -20.510 1.00 42.79 C ATOM 633 CE2 PHE A 71 -16.893 1.281 -19.747 1.00 51.73 C ATOM 634 CZ PHE A 71 -16.966 2.620 -20.056 1.00 49.47 C ATOM 635 H PHE A 71 -21.960 0.560 -22.958 1.00 0.00 H ATOM 636 N SER A 72 -20.818 -2.933 -21.459 1.00 40.53 N ATOM 637 CA SER A 72 -21.472 -4.109 -20.908 1.00 39.51 C ATOM 638 C SER A 72 -20.899 -4.376 -19.521 1.00 43.16 C ATOM 639 O SER A 72 -19.822 -3.886 -19.174 1.00 42.98 O ATOM 640 CB SER A 72 -21.244 -5.322 -21.809 1.00 41.56 C ATOM 641 OG SER A 72 -21.342 -6.534 -21.082 1.00 54.33 O ATOM 642 HG SER A 72 -20.660 -6.543 -20.364 1.00 0.00 H ATOM 643 H SER A 72 -19.801 -3.003 -21.664 1.00 0.00 H ATOM 644 N GLY A 73 -21.602 -5.164 -18.719 1.00 44.84 N ATOM 645 CA GLY A 73 -20.997 -5.556 -17.464 1.00 49.82 C ATOM 646 C GLY A 73 -21.982 -6.141 -16.471 1.00 46.42 C ATOM 647 O GLY A 73 -23.131 -6.446 -16.788 1.00 49.69 O ATOM 648 H GLY A 73 -22.554 -5.489 -18.982 1.00 0.00 H ATOM 649 N THR A 74 -21.484 -6.289 -15.253 1.00 45.53 N ATOM 650 CA THR A 74 -22.169 -6.977 -14.178 1.00 41.26 C ATOM 651 C THR A 74 -22.195 -6.087 -12.946 1.00 41.24 C ATOM 652 O THR A 74 -21.535 -5.049 -12.889 1.00 40.82 O ATOM 653 CB THR A 74 -21.472 -8.304 -13.859 1.00 47.19 C ATOM 654 OG1 THR A 74 -20.104 -8.060 -13.515 1.00 52.02 O ATOM 655 CG2 THR A 74 -21.516 -9.225 -15.054 1.00 54.23 C ATOM 656 HG1 THR A 74 -19.658 -8.920 -13.310 1.00 0.00 H ATOM 657 H THR A 74 -20.545 -5.887 -15.056 1.00 0.00 H ATOM 658 N VAL A 75 -22.962 -6.513 -11.947 1.00 41.23 N ATOM 659 CA VAL A 75 -23.000 -5.874 -10.638 1.00 39.40 C ATOM 660 C VAL A 75 -22.719 -6.939 -9.591 1.00 41.91 C ATOM 661 O VAL A 75 -23.461 -7.922 -9.486 1.00 40.56 O ATOM 662 CB VAL A 75 -24.347 -5.191 -10.363 1.00 37.19 C ATOM 663 CG1 VAL A 75 -25.485 -6.107 -10.713 1.00 41.02 C ATOM 664 CG2 VAL A 75 -24.435 -4.798 -8.924 1.00 37.53 C ATOM 665 H VAL A 75 -23.565 -7.345 -12.108 1.00 0.00 H ATOM 666 N LYS A 76 -21.637 -6.767 -8.836 1.00 47.33 N ATOM 667 CA LYS A 76 -21.339 -7.688 -7.748 1.00 44.18 C ATOM 668 C LYS A 76 -22.104 -7.222 -6.517 1.00 43.24 C ATOM 669 O LYS A 76 -21.999 -6.057 -6.120 1.00 42.14 O ATOM 670 CB LYS A 76 -19.834 -7.769 -7.481 1.00 44.53 C ATOM 671 CG LYS A 76 -19.459 -8.778 -6.395 1.00 47.81 C ATOM 672 CD LYS A 76 -17.956 -8.891 -6.209 1.00 53.51 C ATOM 673 CE LYS A 76 -17.282 -9.614 -7.383 1.00 65.53 C ATOM 674 NZ LYS A 76 -15.775 -9.664 -7.253 1.00 62.60 N ATOM 675 HZ1 LYS A 76 -15.399 -8.695 -7.218 1.00 0.00 H ATOM 676 HZ2 LYS A 76 -15.520 -10.168 -6.380 1.00 0.00 H ATOM 677 HZ3 LYS A 76 -15.374 -10.163 -8.073 1.00 0.00 H ATOM 678 H LYS A 76 -20.999 -5.968 -9.024 1.00 0.00 H ATOM 679 N TYR A 77 -22.915 -8.116 -5.950 1.00 42.86 N ATOM 680 CA TYR A 77 -23.718 -7.823 -4.763 1.00 40.58 C ATOM 681 C TYR A 77 -23.461 -8.927 -3.734 1.00 42.97 C ATOM 682 O TYR A 77 -24.010 -10.026 -3.845 1.00 43.37 O ATOM 683 CB TYR A 77 -25.199 -7.705 -5.109 1.00 31.67 C ATOM 684 CG TYR A 77 -26.055 -7.137 -3.989 1.00 31.99 C ATOM 685 CD1 TYR A 77 -26.033 -5.778 -3.681 1.00 35.14 C ATOM 686 CD2 TYR A 77 -26.889 -7.958 -3.242 1.00 36.37 C ATOM 687 CE1 TYR A 77 -26.820 -5.254 -2.656 1.00 34.58 C ATOM 688 CE2 TYR A 77 -27.673 -7.450 -2.217 1.00 38.10 C ATOM 689 CZ TYR A 77 -27.640 -6.100 -1.929 1.00 38.42 C ATOM 690 OH TYR A 77 -28.429 -5.613 -0.906 1.00 38.47 O ATOM 691 HH TYR A 77 -29.380 -5.801 -1.106 1.00 0.00 H ATOM 692 H TYR A 77 -22.979 -9.065 -6.371 1.00 0.00 H ATOM 693 N SER A 78 -22.617 -8.624 -2.739 1.00 44.90 N ATOM 694 CA SER A 78 -22.254 -9.535 -1.652 1.00 43.82 C ATOM 695 C SER A 78 -21.533 -10.783 -2.134 1.00 40.42 C ATOM 696 O SER A 78 -22.001 -11.899 -1.899 1.00 47.72 O ATOM 697 CB SER A 78 -23.487 -9.951 -0.847 1.00 49.98 C ATOM 698 OG SER A 78 -23.770 -9.032 0.185 1.00 51.67 O ATOM 699 HG SER A 78 -23.940 -8.139 -0.207 1.00 0.00 H ATOM 700 H SER A 78 -22.190 -7.676 -2.739 1.00 0.00 H ATOM 701 N GLY A 79 -20.389 -10.619 -2.791 1.00 45.46 N ATOM 702 CA GLY A 79 -19.617 -11.753 -3.253 1.00 54.79 C ATOM 703 C GLY A 79 -20.063 -12.363 -4.567 1.00 56.36 C ATOM 704 O GLY A 79 -19.262 -13.045 -5.220 1.00 60.69 O ATOM 705 H GLY A 79 -20.042 -9.656 -2.977 1.00 0.00 H ATOM 706 N SER A 80 -21.301 -12.136 -4.994 1.00 47.90 N ATOM 707 CA SER A 80 -21.801 -12.741 -6.215 1.00 53.43 C ATOM 708 C SER A 80 -22.143 -11.676 -7.249 1.00 48.98 C ATOM 709 O SER A 80 -22.577 -10.570 -6.913 1.00 46.69 O ATOM 710 CB SER A 80 -23.017 -13.614 -5.928 1.00 54.23 C ATOM 711 OG SER A 80 -24.059 -12.844 -5.358 1.00 60.66 O ATOM 712 HG SER A 80 -24.839 -13.427 -5.179 1.00 0.00 H ATOM 713 H SER A 80 -21.924 -11.512 -4.442 1.00 0.00 H ATOM 714 N SER A 81 -21.938 -12.032 -8.514 1.00 44.71 N ATOM 715 CA SER A 81 -22.153 -11.152 -9.651 1.00 50.57 C ATOM 716 C SER A 81 -23.455 -11.497 -10.374 1.00 46.77 C ATOM 717 O SER A 81 -23.993 -12.599 -10.245 1.00 44.78 O ATOM 718 CB SER A 81 -20.983 -11.243 -10.629 1.00 53.09 C ATOM 719 OG SER A 81 -19.752 -11.057 -9.950 1.00 49.07 O ATOM 720 HG SER A 81 -19.006 -11.119 -10.598 1.00 0.00 H ATOM 721 H SER A 81 -21.604 -12.999 -8.701 1.00 0.00 H ATOM 722 N TYR A 82 -23.973 -10.528 -11.111 1.00 38.53 N ATOM 723 CA TYR A 82 -25.250 -10.628 -11.795 1.00 44.16 C ATOM 724 C TYR A 82 -25.176 -9.726 -13.011 1.00 46.41 C ATOM 725 O TYR A 82 -24.336 -8.819 -13.064 1.00 46.73 O ATOM 726 CB TYR A 82 -26.420 -10.217 -10.886 1.00 40.57 C ATOM 727 CG TYR A 82 -26.460 -10.932 -9.556 1.00 51.03 C ATOM 728 CD1 TYR A 82 -27.168 -12.118 -9.406 1.00 52.51 C ATOM 729 CD2 TYR A 82 -25.792 -10.422 -8.439 1.00 47.65 C ATOM 730 CE1 TYR A 82 -27.204 -12.781 -8.186 1.00 54.68 C ATOM 731 CE2 TYR A 82 -25.822 -11.077 -7.218 1.00 43.12 C ATOM 732 CZ TYR A 82 -26.533 -12.257 -7.096 1.00 50.96 C ATOM 733 OH TYR A 82 -26.583 -12.923 -5.886 1.00 44.19 O ATOM 734 HH TYR A 82 -25.665 -13.171 -5.609 1.00 0.00 H ATOM 735 H TYR A 82 -23.434 -9.643 -11.206 1.00 0.00 H ATOM 736 N PRO A 83 -26.018 -9.943 -14.017 1.00 46.75 N ATOM 737 CA PRO A 83 -25.931 -9.103 -15.211 1.00 49.27 C ATOM 738 C PRO A 83 -26.369 -7.689 -14.886 1.00 44.66 C ATOM 739 O PRO A 83 -27.248 -7.471 -14.052 1.00 44.08 O ATOM 740 CB PRO A 83 -26.890 -9.775 -16.202 1.00 48.28 C ATOM 741 CG PRO A 83 -27.189 -11.137 -15.611 1.00 42.77 C ATOM 742 CD PRO A 83 -27.102 -10.936 -14.134 1.00 46.37 C ATOM 743 N PHE A 84 -25.726 -6.720 -15.530 1.00 44.87 N ATOM 744 CA PHE A 84 -26.147 -5.331 -15.373 1.00 43.69 C ATOM 745 C PHE A 84 -26.374 -4.655 -16.727 1.00 42.48 C ATOM 746 O PHE A 84 -25.535 -4.795 -17.621 1.00 47.83 O ATOM 747 CB PHE A 84 -25.131 -4.529 -14.555 1.00 45.25 C ATOM 748 CG PHE A 84 -25.581 -3.120 -14.287 1.00 42.86 C ATOM 749 CD1 PHE A 84 -26.576 -2.870 -13.363 1.00 38.49 C ATOM 750 CD2 PHE A 84 -25.049 -2.056 -14.996 1.00 44.00 C ATOM 751 CE1 PHE A 84 -27.027 -1.583 -13.141 1.00 43.71 C ATOM 752 CE2 PHE A 84 -25.483 -0.767 -14.774 1.00 38.44 C ATOM 753 CZ PHE A 84 -26.473 -0.528 -13.847 1.00 45.68 C ATOM 754 H PHE A 84 -24.921 -6.952 -16.147 1.00 0.00 H ATOM 755 N PRO A 85 -27.519 -3.950 -16.914 1.00 41.28 N ATOM 756 CA PRO A 85 -28.725 -3.771 -16.088 1.00 40.72 C ATOM 757 C PRO A 85 -29.281 -5.075 -15.540 1.00 47.81 C ATOM 758 O PRO A 85 -29.155 -6.132 -16.172 1.00 50.44 O ATOM 759 CB PRO A 85 -29.732 -3.136 -17.050 1.00 38.77 C ATOM 760 CG PRO A 85 -28.904 -2.455 -18.069 1.00 41.27 C ATOM 761 CD PRO A 85 -27.639 -3.241 -18.204 1.00 42.24 C ATOM 762 N THR A 86 -29.879 -4.997 -14.357 1.00 45.96 N ATOM 763 CA THR A 86 -30.242 -6.193 -13.625 1.00 42.89 C ATOM 764 C THR A 86 -31.463 -6.855 -14.241 1.00 41.00 C ATOM 765 O THR A 86 -32.317 -6.200 -14.843 1.00 37.50 O ATOM 766 CB THR A 86 -30.515 -5.847 -12.172 1.00 39.47 C ATOM 767 OG1 THR A 86 -31.494 -4.808 -12.134 1.00 37.15 O ATOM 768 CG2 THR A 86 -29.242 -5.365 -11.517 1.00 35.83 C ATOM 769 HG1 THR A 86 -32.325 -5.123 -12.570 1.00 0.00 H ATOM 770 H THR A 86 -30.090 -4.063 -13.950 1.00 0.00 H ATOM 771 N THR A 87 -31.539 -8.172 -14.074 1.00 48.51 N ATOM 772 CA THR A 87 -32.670 -8.958 -14.539 1.00 48.98 C ATOM 773 C THR A 87 -33.526 -9.497 -13.404 1.00 42.60 C ATOM 774 O THR A 87 -34.530 -10.161 -13.675 1.00 49.96 O ATOM 775 CB THR A 87 -32.180 -10.126 -15.409 1.00 45.83 C ATOM 776 OG1 THR A 87 -31.387 -11.017 -14.614 1.00 43.99 O ATOM 777 CG2 THR A 87 -31.337 -9.606 -16.565 1.00 38.13 C ATOM 778 HG1 THR A 87 -30.607 -10.527 -14.250 1.00 0.00 H ATOM 779 H THR A 87 -30.758 -8.660 -13.591 1.00 0.00 H ATOM 780 N SER A 88 -33.179 -9.221 -12.149 1.00 41.60 N ATOM 781 CA SER A 88 -33.855 -9.877 -11.037 1.00 46.72 C ATOM 782 C SER A 88 -33.414 -9.252 -9.727 1.00 42.60 C ATOM 783 O SER A 88 -32.266 -8.820 -9.586 1.00 40.36 O ATOM 784 CB SER A 88 -33.549 -11.383 -11.005 1.00 45.17 C ATOM 785 OG SER A 88 -32.165 -11.610 -11.244 1.00 45.06 O ATOM 786 HG SER A 88 -31.921 -11.249 -12.133 1.00 0.00 H ATOM 787 H SER A 88 -32.422 -8.534 -11.961 1.00 0.00 H ATOM 788 N GLU A 89 -34.327 -9.253 -8.761 1.00 41.73 N ATOM 789 CA GLU A 89 -33.994 -8.831 -7.408 1.00 41.67 C ATOM 790 C GLU A 89 -32.937 -9.760 -6.804 1.00 41.34 C ATOM 791 O GLU A 89 -33.034 -10.985 -6.918 1.00 45.13 O ATOM 792 CB GLU A 89 -35.262 -8.821 -6.562 1.00 38.42 C ATOM 793 CG GLU A 89 -35.118 -8.110 -5.244 1.00 42.81 C ATOM 794 CD GLU A 89 -36.441 -7.999 -4.510 1.00 54.72 C ATOM 795 OE1 GLU A 89 -37.416 -8.678 -4.929 1.00 61.47 O ATOM 796 OE2 GLU A 89 -36.511 -7.229 -3.519 1.00 57.15 O ATOM 797 H GLU A 89 -35.297 -9.561 -8.976 1.00 0.00 H ATOM 798 N THR A 90 -31.918 -9.176 -6.173 1.00 38.53 N ATOM 799 CA THR A 90 -30.802 -9.936 -5.606 1.00 41.45 C ATOM 800 C THR A 90 -31.189 -10.573 -4.271 1.00 43.47 C ATOM 801 O THR A 90 -32.252 -10.300 -3.707 1.00 46.12 O ATOM 802 CB THR A 90 -29.588 -9.024 -5.413 1.00 38.65 C ATOM 803 OG1 THR A 90 -29.976 -7.845 -4.701 1.00 46.68 O ATOM 804 CG2 THR A 90 -28.972 -8.623 -6.725 1.00 35.94 C ATOM 805 HG1 THR A 90 -30.670 -7.363 -5.217 1.00 0.00 H ATOM 806 H THR A 90 -31.916 -8.140 -6.080 1.00 0.00 H ATOM 807 N PRO A 91 -30.344 -11.452 -3.733 1.00 47.97 N ATOM 808 CA PRO A 91 -30.595 -11.982 -2.383 1.00 47.62 C ATOM 809 C PRO A 91 -30.509 -10.903 -1.312 1.00 44.81 C ATOM 810 O PRO A 91 -29.941 -9.827 -1.513 1.00 41.44 O ATOM 811 CB PRO A 91 -29.490 -13.026 -2.201 1.00 39.93 C ATOM 812 CG PRO A 91 -29.198 -13.474 -3.586 1.00 46.86 C ATOM 813 CD PRO A 91 -29.349 -12.261 -4.462 1.00 40.96 C ATOM 814 N ARG A 92 -31.083 -11.220 -0.151 1.00 46.18 N ATOM 815 CA ARG A 92 -31.128 -10.291 0.970 1.00 40.94 C ATOM 816 C ARG A 92 -29.766 -10.178 1.652 1.00 41.90 C ATOM 817 O ARG A 92 -28.998 -11.139 1.740 1.00 43.42 O ATOM 818 CB ARG A 92 -32.178 -10.734 2.005 1.00 46.04 C ATOM 819 CG ARG A 92 -33.615 -10.756 1.505 1.00 46.71 C ATOM 820 CD ARG A 92 -34.416 -11.993 1.973 1.00 59.46 C ATOM 821 NE ARG A 92 -33.708 -13.280 1.826 1.00 74.01 N ATOM 822 CZ ARG A 92 -33.373 -13.871 0.670 1.00 60.89 C ATOM 823 NH1 ARG A 92 -32.745 -15.039 0.682 1.00 48.97 N ATOM 824 NH2 ARG A 92 -33.629 -13.301 -0.500 1.00 58.76 N ATOM 825 HE ARG A 92 -33.444 -13.775 2.702 1.00 0.00 H ATOM 826 HH12 ARG A 92 -32.485 -15.499 -0.214 1.00 0.00 H ATOM 827 HH11 ARG A 92 -32.513 -15.495 1.587 1.00 0.00 H ATOM 828 HH22 ARG A 92 -33.359 -13.781 -1.382 1.00 0.00 H ATOM 829 HH21 ARG A 92 -34.100 -12.374 -0.535 1.00 0.00 H ATOM 830 H ARG A 92 -31.512 -12.161 -0.042 1.00 0.00 H ATOM 831 N VAL A 93 -29.478 -8.983 2.149 1.00 41.70 N ATOM 832 CA VAL A 93 -28.364 -8.744 3.053 1.00 39.18 C ATOM 833 C VAL A 93 -28.948 -8.283 4.378 1.00 44.41 C ATOM 834 O VAL A 93 -29.882 -7.473 4.409 1.00 39.01 O ATOM 835 CB VAL A 93 -27.377 -7.705 2.488 1.00 35.21 C ATOM 836 CG1 VAL A 93 -26.389 -7.264 3.544 1.00 39.47 C ATOM 837 CG2 VAL A 93 -26.650 -8.288 1.306 1.00 43.67 C ATOM 838 H VAL A 93 -30.078 -8.177 1.879 1.00 0.00 H ATOM 839 N VAL A 94 -28.414 -8.819 5.469 1.00 46.49 N ATOM 840 CA VAL A 94 -28.968 -8.580 6.796 1.00 44.43 C ATOM 841 C VAL A 94 -28.276 -7.373 7.407 1.00 41.71 C ATOM 842 O VAL A 94 -27.047 -7.343 7.538 1.00 44.20 O ATOM 843 CB VAL A 94 -28.817 -9.815 7.694 1.00 43.38 C ATOM 844 CG1 VAL A 94 -29.187 -9.457 9.115 1.00 42.73 C ATOM 845 CG2 VAL A 94 -29.694 -10.955 7.182 1.00 37.98 C ATOM 846 H VAL A 94 -27.576 -9.427 5.374 1.00 0.00 H ATOM 847 N TYR A 95 -29.056 -6.374 7.783 1.00 40.31 N ATOM 848 CA TYR A 95 -28.509 -5.207 8.451 1.00 43.76 C ATOM 849 C TYR A 95 -28.740 -5.382 9.946 1.00 50.07 C ATOM 850 O TYR A 95 -29.875 -5.308 10.438 1.00 43.77 O ATOM 851 CB TYR A 95 -29.077 -3.914 7.872 1.00 41.21 C ATOM 852 CG TYR A 95 -28.246 -3.535 6.659 1.00 44.39 C ATOM 853 CD1 TYR A 95 -28.404 -4.206 5.452 1.00 44.12 C ATOM 854 CD2 TYR A 95 -27.253 -2.569 6.740 1.00 47.69 C ATOM 855 CE1 TYR A 95 -27.627 -3.896 4.349 1.00 46.42 C ATOM 856 CE2 TYR A 95 -26.469 -2.250 5.636 1.00 49.41 C ATOM 857 CZ TYR A 95 -26.662 -2.920 4.446 1.00 47.17 C ATOM 858 OH TYR A 95 -25.894 -2.614 3.347 1.00 45.05 O ATOM 859 HH TYR A 95 -24.940 -2.773 3.558 1.00 0.00 H ATOM 860 H TYR A 95 -30.078 -6.425 7.597 1.00 0.00 H ATOM 861 N ASN A 96 -27.633 -5.642 10.646 1.00 57.14 N ATOM 862 CA ASN A 96 -27.567 -6.171 12.000 1.00 55.62 C ATOM 863 C ASN A 96 -27.730 -5.099 13.057 1.00 46.70 C ATOM 864 O ASN A 96 -28.457 -5.302 14.025 1.00 47.46 O ATOM 865 CB ASN A 96 -26.229 -6.911 12.224 1.00 54.57 C ATOM 866 CG ASN A 96 -24.991 -6.131 11.680 1.00 65.06 C ATOM 867 OD1 ASN A 96 -25.071 -5.390 10.682 1.00 53.83 O ATOM 868 ND2 ASN A 96 -23.839 -6.323 12.337 1.00 63.09 N ATOM 869 HD22 ASN A 96 -23.812 -6.950 13.167 1.00 0.00 H ATOM 870 HD21 ASN A 96 -22.972 -5.845 12.017 1.00 0.00 H ATOM 871 H ASN A 96 -26.726 -5.447 10.176 1.00 0.00 H ATOM 872 N SER A 97 -27.095 -3.952 12.859 1.00 52.22 N ATOM 873 CA SER A 97 -26.684 -3.076 13.938 1.00 44.41 C ATOM 874 C SER A 97 -27.147 -1.650 13.721 1.00 42.24 C ATOM 875 O SER A 97 -27.642 -1.276 12.655 1.00 43.37 O ATOM 876 CB SER A 97 -25.167 -3.049 14.068 1.00 43.76 C ATOM 877 OG SER A 97 -24.788 -1.718 14.345 1.00 43.47 O ATOM 878 HG SER A 97 -25.213 -1.424 15.189 1.00 0.00 H ATOM 879 H SER A 97 -26.881 -3.667 11.882 1.00 0.00 H ATOM 880 N ARG A 98 -26.926 -0.844 14.754 1.00 39.76 N ATOM 881 CA ARG A 98 -27.102 0.591 14.634 1.00 42.43 C ATOM 882 C ARG A 98 -25.882 1.258 14.020 1.00 43.53 C ATOM 883 O ARG A 98 -25.896 2.476 13.800 1.00 42.40 O ATOM 884 CB ARG A 98 -27.411 1.182 16.005 1.00 39.07 C ATOM 885 CG ARG A 98 -28.330 2.363 15.936 1.00 44.07 C ATOM 886 CD ARG A 98 -28.911 2.676 17.292 1.00 46.33 C ATOM 887 NE ARG A 98 -29.734 1.582 17.801 1.00 52.19 N ATOM 888 CZ ARG A 98 -30.495 1.663 18.889 1.00 49.42 C ATOM 889 NH1 ARG A 98 -30.541 2.792 19.591 1.00 48.23 N ATOM 890 NH2 ARG A 98 -31.216 0.619 19.270 1.00 42.94 N ATOM 891 HE ARG A 98 -29.724 0.682 17.280 1.00 0.00 H ATOM 892 HH12 ARG A 98 -31.137 2.852 20.441 1.00 0.00 H ATOM 893 HH11 ARG A 98 -29.981 3.615 19.290 1.00 0.00 H ATOM 894 HH22 ARG A 98 -31.811 0.681 20.120 1.00 0.00 H ATOM 895 HH21 ARG A 98 -31.187 -0.262 18.719 1.00 0.00 H ATOM 896 H ARG A 98 -26.622 -1.248 15.663 1.00 0.00 H ATOM 897 N THR A 99 -24.842 0.474 13.732 1.00 39.65 N ATOM 898 CA THR A 99 -23.596 0.968 13.166 1.00 41.27 C ATOM 899 C THR A 99 -23.712 1.048 11.652 1.00 46.05 C ATOM 900 O THR A 99 -24.270 0.150 11.010 1.00 49.04 O ATOM 901 CB THR A 99 -22.440 0.047 13.557 1.00 40.70 C ATOM 902 OG1 THR A 99 -22.200 0.166 14.964 1.00 46.58 O ATOM 903 CG2 THR A 99 -21.172 0.406 12.811 1.00 37.90 C ATOM 904 HG1 THR A 99 -23.016 -0.095 15.460 1.00 0.00 H ATOM 905 H THR A 99 -24.926 -0.545 13.922 1.00 0.00 H ATOM 906 N ASP A 100 -23.188 2.129 11.086 1.00 35.88 N ATOM 907 CA ASP A 100 -23.295 2.329 9.653 1.00 39.25 C ATOM 908 C ASP A 100 -22.520 1.251 8.905 1.00 44.00 C ATOM 909 O ASP A 100 -21.338 1.023 9.171 1.00 48.28 O ATOM 910 CB ASP A 100 -22.801 3.718 9.288 1.00 36.51 C ATOM 911 CG ASP A 100 -23.848 4.773 9.546 1.00 48.77 C ATOM 912 OD1 ASP A 100 -25.042 4.440 9.372 1.00 49.56 O ATOM 913 OD2 ASP A 100 -23.494 5.921 9.919 1.00 60.14 O ATOM 914 H ASP A 100 -22.699 2.835 11.672 1.00 0.00 H ATOM 915 N LYS A 101 -23.196 0.582 7.974 1.00 42.92 N ATOM 916 CA LYS A 101 -22.661 -0.593 7.300 1.00 48.73 C ATOM 917 C LYS A 101 -22.740 -0.408 5.787 1.00 45.82 C ATOM 918 O LYS A 101 -23.789 0.009 5.258 1.00 36.35 O ATOM 919 CB LYS A 101 -23.425 -1.852 7.745 1.00 49.79 C ATOM 920 CG LYS A 101 -22.869 -3.162 7.196 1.00 51.81 C ATOM 921 CD LYS A 101 -23.544 -4.381 7.836 1.00 53.97 C ATOM 922 CE LYS A 101 -24.566 -5.003 6.903 1.00 53.41 C ATOM 923 NZ LYS A 101 -23.973 -5.213 5.545 1.00 60.38 N ATOM 924 HZ1 LYS A 101 -23.670 -4.298 5.155 1.00 0.00 H ATOM 925 HZ2 LYS A 101 -23.152 -5.847 5.621 1.00 0.00 H ATOM 926 HZ3 LYS A 101 -24.686 -5.639 4.919 1.00 0.00 H ATOM 927 H LYS A 101 -24.148 0.913 7.717 1.00 0.00 H ATOM 928 N PRO A 102 -21.666 -0.696 5.059 1.00 46.73 N ATOM 929 CA PRO A 102 -21.672 -0.437 3.616 1.00 44.64 C ATOM 930 C PRO A 102 -22.745 -1.245 2.902 1.00 43.27 C ATOM 931 O PRO A 102 -22.982 -2.420 3.208 1.00 41.87 O ATOM 932 CB PRO A 102 -20.265 -0.858 3.171 1.00 41.24 C ATOM 933 CG PRO A 102 -19.441 -0.874 4.433 1.00 33.60 C ATOM 934 CD PRO A 102 -20.393 -1.288 5.509 1.00 37.31 C ATOM 935 N TRP A 103 -23.408 -0.587 1.954 1.00 35.89 N ATOM 936 CA TRP A 103 -24.212 -1.257 0.948 1.00 36.48 C ATOM 937 C TRP A 103 -23.262 -1.874 -0.073 1.00 38.49 C ATOM 938 O TRP A 103 -22.627 -1.152 -0.852 1.00 39.20 O ATOM 939 CB TRP A 103 -25.165 -0.271 0.290 1.00 36.51 C ATOM 940 CG TRP A 103 -26.251 -0.907 -0.474 1.00 38.79 C ATOM 941 CD1 TRP A 103 -26.865 -2.092 -0.200 1.00 39.20 C ATOM 942 CD2 TRP A 103 -26.873 -0.393 -1.654 1.00 40.91 C ATOM 943 NE1 TRP A 103 -27.835 -2.352 -1.140 1.00 39.15 N ATOM 944 CE2 TRP A 103 -27.861 -1.322 -2.044 1.00 42.00 C ATOM 945 CE3 TRP A 103 -26.691 0.762 -2.420 1.00 37.63 C ATOM 946 CZ2 TRP A 103 -28.666 -1.130 -3.173 1.00 43.84 C ATOM 947 CZ3 TRP A 103 -27.490 0.950 -3.544 1.00 41.24 C ATOM 948 CH2 TRP A 103 -28.464 0.012 -3.910 1.00 39.21 C ATOM 949 HE1 TRP A 103 -28.448 -3.192 -1.161 1.00 0.00 H ATOM 950 H TRP A 103 -23.348 0.451 1.933 1.00 0.00 H ATOM 951 N PRO A 104 -23.136 -3.106 -0.099 1.00 36.95 N ATOM 952 CA PRO A 104 -22.017 -3.734 -0.824 1.00 45.59 C ATOM 953 C PRO A 104 -22.328 -4.007 -2.299 1.00 41.66 C ATOM 954 O PRO A 104 -22.221 -5.135 -2.792 1.00 36.56 O ATOM 955 CB PRO A 104 -21.794 -5.020 -0.018 1.00 37.68 C ATOM 956 CG PRO A 104 -23.139 -5.312 0.640 1.00 35.14 C ATOM 957 CD PRO A 104 -24.032 -4.112 0.492 1.00 37.32 C ATOM 958 N VAL A 105 -22.690 -2.960 -3.029 1.00 38.73 N ATOM 959 CA VAL A 105 -22.938 -3.074 -4.460 1.00 42.78 C ATOM 960 C VAL A 105 -21.833 -2.342 -5.211 1.00 40.27 C ATOM 961 O VAL A 105 -21.489 -1.199 -4.880 1.00 37.63 O ATOM 962 CB VAL A 105 -24.348 -2.579 -4.847 1.00 39.92 C ATOM 963 CG1 VAL A 105 -24.667 -1.237 -4.239 1.00 41.89 C ATOM 964 CG2 VAL A 105 -24.479 -2.507 -6.357 1.00 50.04 C ATOM 965 H VAL A 105 -22.800 -2.034 -2.568 1.00 0.00 H ATOM 966 N ALA A 106 -21.237 -3.037 -6.182 1.00 43.94 N ATOM 967 CA ALA A 106 -20.202 -2.503 -7.052 1.00 42.27 C ATOM 968 C ALA A 106 -20.506 -2.912 -8.485 1.00 44.59 C ATOM 969 O ALA A 106 -20.875 -4.064 -8.740 1.00 41.01 O ATOM 970 CB ALA A 106 -18.820 -3.006 -6.644 1.00 35.91 C ATOM 971 H ALA A 106 -21.532 -4.024 -6.325 1.00 0.00 H ATOM 972 N LEU A 107 -20.365 -1.967 -9.416 1.00 38.89 N ATOM 973 CA LEU A 107 -20.549 -2.235 -10.835 1.00 44.30 C ATOM 974 C LEU A 107 -19.219 -2.465 -11.541 1.00 48.05 C ATOM 975 O LEU A 107 -18.244 -1.751 -11.304 1.00 49.68 O ATOM 976 CB LEU A 107 -21.289 -1.091 -11.526 1.00 47.35 C ATOM 977 CG LEU A 107 -22.614 -0.605 -10.948 1.00 48.95 C ATOM 978 CD1 LEU A 107 -23.080 0.605 -11.742 1.00 42.34 C ATOM 979 CD2 LEU A 107 -23.683 -1.689 -10.974 1.00 42.48 C ATOM 980 H LEU A 107 -20.114 -1.003 -9.117 1.00 0.00 H ATOM 981 N TYR A 108 -19.199 -3.455 -12.432 1.00 49.96 N ATOM 982 CA TYR A 108 -18.046 -3.763 -13.274 1.00 47.03 C ATOM 983 C TYR A 108 -18.473 -3.610 -14.728 1.00 50.66 C ATOM 984 O TYR A 108 -19.237 -4.431 -15.250 1.00 44.11 O ATOM 985 CB TYR A 108 -17.514 -5.167 -12.997 1.00 45.57 C ATOM 986 CG TYR A 108 -16.948 -5.320 -11.606 1.00 52.71 C ATOM 987 CD1 TYR A 108 -17.794 -5.408 -10.498 1.00 55.32 C ATOM 988 CD2 TYR A 108 -15.569 -5.374 -11.393 1.00 51.41 C ATOM 989 CE1 TYR A 108 -17.282 -5.541 -9.213 1.00 54.56 C ATOM 990 CE2 TYR A 108 -15.046 -5.504 -10.118 1.00 54.13 C ATOM 991 CZ TYR A 108 -15.907 -5.588 -9.033 1.00 58.44 C ATOM 992 OH TYR A 108 -15.391 -5.727 -7.771 1.00 60.80 O ATOM 993 HH TYR A 108 -16.132 -5.772 -7.116 1.00 0.00 H ATOM 994 H TYR A 108 -20.052 -4.041 -12.534 1.00 0.00 H ATOM 995 N LEU A 109 -17.983 -2.559 -15.377 1.00 51.06 N ATOM 996 CA LEU A 109 -18.416 -2.186 -16.713 1.00 47.18 C ATOM 997 C LEU A 109 -17.230 -2.268 -17.663 1.00 50.20 C ATOM 998 O LEU A 109 -16.156 -1.732 -17.369 1.00 53.33 O ATOM 999 CB LEU A 109 -19.028 -0.781 -16.698 1.00 43.87 C ATOM 1000 CG LEU A 109 -20.059 -0.563 -15.572 1.00 45.35 C ATOM 1001 CD1 LEU A 109 -20.641 0.841 -15.556 1.00 40.46 C ATOM 1002 CD2 LEU A 109 -21.189 -1.582 -15.636 1.00 44.40 C ATOM 1003 H LEU A 109 -17.258 -1.978 -14.909 1.00 0.00 H ATOM 1004 N THR A 110 -17.419 -2.966 -18.798 1.00 52.99 N ATOM 1005 CA THR A 110 -16.412 -3.072 -19.854 1.00 57.44 C ATOM 1006 C THR A 110 -16.881 -2.336 -21.102 1.00 49.77 C ATOM 1007 O THR A 110 -18.069 -2.387 -21.437 1.00 46.84 O ATOM 1008 CB THR A 110 -16.134 -4.533 -20.223 1.00 56.81 C ATOM 1009 OG1 THR A 110 -16.082 -5.311 -19.072 1.00 64.48 O ATOM 1010 CG2 THR A 110 -14.846 -4.658 -20.920 1.00 57.58 C ATOM 1011 HG1 THR A 110 -15.358 -4.979 -18.483 1.00 0.00 H ATOM 1012 H THR A 110 -18.327 -3.455 -18.931 1.00 0.00 H ATOM 1013 N PRO A 111 -16.001 -1.631 -21.804 1.00 55.50 N ATOM 1014 CA PRO A 111 -16.447 -0.913 -23.003 1.00 45.12 C ATOM 1015 C PRO A 111 -16.547 -1.834 -24.213 1.00 52.74 C ATOM 1016 O PRO A 111 -15.726 -2.733 -24.416 1.00 47.00 O ATOM 1017 CB PRO A 111 -15.368 0.158 -23.206 1.00 46.59 C ATOM 1018 CG PRO A 111 -14.499 0.101 -21.994 1.00 57.91 C ATOM 1019 CD PRO A 111 -14.622 -1.277 -21.435 1.00 56.34 C ATOM 1020 N VAL A 112 -17.593 -1.609 -25.015 1.00 55.32 N ATOM 1021 CA VAL A 112 -17.704 -2.285 -26.297 1.00 45.71 C ATOM 1022 C VAL A 112 -16.637 -1.748 -27.244 1.00 54.25 C ATOM 1023 O VAL A 112 -16.128 -0.634 -27.084 1.00 58.05 O ATOM 1024 CB VAL A 112 -19.118 -2.102 -26.871 1.00 49.46 C ATOM 1025 CG1 VAL A 112 -20.153 -2.493 -25.836 1.00 43.85 C ATOM 1026 CG2 VAL A 112 -19.336 -0.668 -27.306 1.00 55.17 C ATOM 1027 H VAL A 112 -18.335 -0.943 -24.718 1.00 0.00 H ATOM 1028 N SER A 113 -16.275 -2.561 -28.239 1.00 58.54 N ATOM 1029 CA SER A 113 -15.188 -2.165 -29.135 1.00 64.26 C ATOM 1030 C SER A 113 -15.528 -0.920 -29.951 1.00 62.31 C ATOM 1031 O SER A 113 -14.617 -0.234 -30.427 1.00 58.66 O ATOM 1032 CB SER A 113 -14.828 -3.310 -30.080 1.00 59.47 C ATOM 1033 OG SER A 113 -15.705 -3.319 -31.193 1.00 63.88 O ATOM 1034 HG SER A 113 -15.628 -2.460 -31.679 1.00 0.00 H ATOM 1035 H SER A 113 -16.762 -3.470 -28.376 1.00 0.00 H ATOM 1036 N SER A 114 -16.810 -0.614 -30.129 1.00 58.14 N ATOM 1037 CA SER A 114 -17.201 0.605 -30.821 1.00 63.17 C ATOM 1038 C SER A 114 -17.197 1.828 -29.907 1.00 71.66 C ATOM 1039 O SER A 114 -17.751 2.873 -30.282 1.00 69.55 O ATOM 1040 CB SER A 114 -18.589 0.437 -31.447 1.00 63.05 C ATOM 1041 OG SER A 114 -19.613 0.583 -30.476 1.00 57.12 O ATOM 1042 HG SER A 114 -19.556 1.485 -30.071 1.00 0.00 H ATOM 1043 H SER A 114 -17.544 -1.256 -29.768 1.00 0.00 H ATOM 1044 N ALA A 115 -16.601 1.719 -28.718 1.00 73.40 N ATOM 1045 CA ALA A 115 -16.580 2.819 -27.753 1.00 76.88 C ATOM 1046 C ALA A 115 -15.416 3.736 -28.106 1.00 81.44 C ATOM 1047 O ALA A 115 -14.258 3.458 -27.777 1.00 74.46 O ATOM 1048 CB ALA A 115 -16.470 2.298 -26.324 1.00 61.99 C ATOM 1049 H ALA A 115 -16.136 0.823 -28.469 1.00 0.00 H ATOM 1050 N GLY A 116 -15.727 4.824 -28.787 1.00 81.74 N ATOM 1051 CA GLY A 116 -14.719 5.798 -29.169 1.00 78.44 C ATOM 1052 C GLY A 116 -15.132 7.201 -28.786 1.00 83.44 C ATOM 1053 O GLY A 116 -16.280 7.602 -28.988 1.00 85.34 O ATOM 1054 H GLY A 116 -16.718 4.988 -29.056 1.00 0.00 H ATOM 1055 N GLY A 117 -14.173 7.951 -28.237 1.00 78.46 N ATOM 1056 CA GLY A 117 -14.393 9.332 -27.847 1.00 75.30 C ATOM 1057 C GLY A 117 -14.418 9.481 -26.341 1.00 71.60 C ATOM 1058 O GLY A 117 -13.554 8.948 -25.640 1.00 64.38 O ATOM 1059 H GLY A 117 -13.234 7.530 -28.083 1.00 0.00 H ATOM 1060 N VAL A 118 -15.393 10.206 -25.818 1.00 68.20 N ATOM 1061 CA VAL A 118 -15.676 10.166 -24.393 1.00 67.32 C ATOM 1062 C VAL A 118 -16.889 9.258 -24.198 1.00 69.07 C ATOM 1063 O VAL A 118 -17.985 9.541 -24.704 1.00 66.32 O ATOM 1064 CB VAL A 118 -15.884 11.574 -23.807 1.00 58.33 C ATOM 1065 CG1 VAL A 118 -16.960 12.361 -24.547 1.00 58.34 C ATOM 1066 CG2 VAL A 118 -16.202 11.470 -22.338 1.00 57.51 C ATOM 1067 H VAL A 118 -15.966 10.815 -26.437 1.00 0.00 H ATOM 1068 N ALA A 119 -16.678 8.129 -23.509 1.00 59.17 N ATOM 1069 CA ALA A 119 -17.757 7.170 -23.324 1.00 54.78 C ATOM 1070 C ALA A 119 -18.773 7.648 -22.290 1.00 60.60 C ATOM 1071 O ALA A 119 -19.961 7.318 -22.398 1.00 54.39 O ATOM 1072 CB ALA A 119 -17.185 5.810 -22.929 1.00 53.21 C ATOM 1073 H ALA A 119 -15.739 7.937 -23.105 1.00 0.00 H ATOM 1074 N ILE A 120 -18.343 8.434 -21.302 1.00 56.13 N ATOM 1075 CA ILE A 120 -19.217 8.912 -20.236 1.00 51.41 C ATOM 1076 C ILE A 120 -18.974 10.407 -20.042 1.00 52.75 C ATOM 1077 O ILE A 120 -17.867 10.812 -19.675 1.00 54.80 O ATOM 1078 CB ILE A 120 -18.970 8.144 -18.923 1.00 45.76 C ATOM 1079 CG1 ILE A 120 -19.039 6.637 -19.158 1.00 45.44 C ATOM 1080 CG2 ILE A 120 -19.993 8.523 -17.898 1.00 46.78 C ATOM 1081 CD1 ILE A 120 -18.688 5.809 -17.961 1.00 44.12 C ATOM 1082 H ILE A 120 -17.343 8.718 -21.291 1.00 0.00 H ATOM 1083 N LYS A 121 -19.998 11.226 -20.269 1.00 51.37 N ATOM 1084 CA LYS A 121 -19.850 12.660 -20.030 1.00 51.31 C ATOM 1085 C LYS A 121 -19.876 12.955 -18.532 1.00 52.35 C ATOM 1086 O LYS A 121 -20.653 12.360 -17.779 1.00 54.01 O ATOM 1087 CB LYS A 121 -20.954 13.449 -20.739 1.00 46.98 C ATOM 1088 CG LYS A 121 -20.973 13.293 -22.268 1.00 65.09 C ATOM 1089 CD LYS A 121 -22.158 14.045 -22.898 1.00 74.90 C ATOM 1090 CE LYS A 121 -22.336 13.713 -24.381 1.00 73.52 C ATOM 1091 NZ LYS A 121 -23.452 14.501 -24.995 1.00 74.53 N ATOM 1092 HZ1 LYS A 121 -24.341 14.283 -24.501 1.00 0.00 H ATOM 1093 HZ2 LYS A 121 -23.246 15.517 -24.909 1.00 0.00 H ATOM 1094 HZ3 LYS A 121 -23.541 14.248 -26.000 1.00 0.00 H ATOM 1095 H LYS A 121 -20.902 10.846 -20.616 1.00 0.00 H ATOM 1096 N ALA A 122 -19.013 13.874 -18.098 1.00 51.24 N ATOM 1097 CA ALA A 122 -18.973 14.256 -16.692 1.00 50.37 C ATOM 1098 C ALA A 122 -20.254 14.984 -16.302 1.00 50.67 C ATOM 1099 O ALA A 122 -20.815 15.751 -17.089 1.00 42.94 O ATOM 1100 CB ALA A 122 -17.758 15.131 -16.411 1.00 50.45 C ATOM 1101 H ALA A 122 -18.360 14.324 -18.771 1.00 0.00 H ATOM 1102 N GLY A 123 -20.726 14.721 -15.080 1.00 51.70 N ATOM 1103 CA GLY A 123 -21.995 15.245 -14.609 1.00 50.71 C ATOM 1104 C GLY A 123 -23.233 14.584 -15.179 1.00 51.40 C ATOM 1105 O GLY A 123 -24.346 15.067 -14.932 1.00 53.91 O ATOM 1106 H GLY A 123 -20.164 14.120 -14.444 1.00 0.00 H ATOM 1107 N SER A 124 -23.086 13.504 -15.937 1.00 46.84 N ATOM 1108 CA SER A 124 -24.233 12.782 -16.462 1.00 45.84 C ATOM 1109 C SER A 124 -24.635 11.647 -15.530 1.00 46.14 C ATOM 1110 O SER A 124 -23.808 11.089 -14.799 1.00 40.50 O ATOM 1111 CB SER A 124 -23.923 12.216 -17.842 1.00 42.33 C ATOM 1112 OG SER A 124 -22.693 11.524 -17.795 1.00 44.89 O ATOM 1113 HG SER A 124 -21.975 12.148 -17.522 1.00 0.00 H ATOM 1114 H SER A 124 -22.128 13.167 -16.160 1.00 0.00 H ATOM 1115 N LEU A 125 -25.925 11.312 -15.568 1.00 46.92 N ATOM 1116 CA LEU A 125 -26.430 10.150 -14.851 1.00 39.59 C ATOM 1117 C LEU A 125 -25.954 8.873 -15.532 1.00 41.02 C ATOM 1118 O LEU A 125 -26.166 8.687 -16.736 1.00 37.64 O ATOM 1119 CB LEU A 125 -27.952 10.196 -14.807 1.00 39.80 C ATOM 1120 CG LEU A 125 -28.714 8.981 -14.286 1.00 41.65 C ATOM 1121 CD1 LEU A 125 -28.553 8.868 -12.754 1.00 39.41 C ATOM 1122 CD2 LEU A 125 -30.187 9.098 -14.718 1.00 34.34 C ATOM 1123 H LEU A 125 -26.585 11.894 -16.122 1.00 0.00 H ATOM 1124 N ILE A 126 -25.301 7.994 -14.766 1.00 37.58 N ATOM 1125 CA ILE A 126 -24.852 6.719 -15.298 1.00 36.66 C ATOM 1126 C ILE A 126 -25.700 5.549 -14.814 1.00 39.48 C ATOM 1127 O ILE A 126 -25.912 4.600 -15.574 1.00 34.07 O ATOM 1128 CB ILE A 126 -23.365 6.472 -14.984 1.00 38.31 C ATOM 1129 CG1 ILE A 126 -23.106 6.508 -13.478 1.00 40.90 C ATOM 1130 CG2 ILE A 126 -22.506 7.503 -15.674 1.00 41.28 C ATOM 1131 CD1 ILE A 126 -21.690 6.093 -13.103 1.00 33.53 C ATOM 1132 H ILE A 126 -25.111 8.227 -13.770 1.00 0.00 H ATOM 1133 N ALA A 127 -26.208 5.586 -13.586 1.00 38.20 N ATOM 1134 CA ALA A 127 -26.960 4.457 -13.073 1.00 31.14 C ATOM 1135 C ALA A 127 -28.030 4.941 -12.110 1.00 32.21 C ATOM 1136 O ALA A 127 -27.898 5.982 -11.462 1.00 31.62 O ATOM 1137 CB ALA A 127 -26.039 3.437 -12.390 1.00 29.54 C ATOM 1138 H ALA A 127 -26.066 6.427 -12.991 1.00 0.00 H ATOM 1139 N VAL A 128 -29.113 4.182 -12.056 1.00 37.65 N ATOM 1140 CA VAL A 128 -30.078 4.250 -10.972 1.00 33.44 C ATOM 1141 C VAL A 128 -30.133 2.857 -10.373 1.00 34.40 C ATOM 1142 O VAL A 128 -30.160 1.867 -11.112 1.00 32.02 O ATOM 1143 CB VAL A 128 -31.465 4.713 -11.450 1.00 31.80 C ATOM 1144 CG1 VAL A 128 -32.382 4.852 -10.262 1.00 31.09 C ATOM 1145 CG2 VAL A 128 -31.365 6.030 -12.205 1.00 32.45 C ATOM 1146 H VAL A 128 -29.281 3.504 -12.827 1.00 0.00 H ATOM 1147 N LEU A 129 -30.084 2.781 -9.045 1.00 34.60 N ATOM 1148 CA LEU A 129 -30.088 1.521 -8.315 1.00 31.34 C ATOM 1149 C LEU A 129 -31.128 1.634 -7.220 1.00 32.03 C ATOM 1150 O LEU A 129 -31.105 2.603 -6.456 1.00 35.57 O ATOM 1151 CB LEU A 129 -28.719 1.237 -7.715 1.00 32.22 C ATOM 1152 CG LEU A 129 -27.565 1.362 -8.709 1.00 35.41 C ATOM 1153 CD1 LEU A 129 -26.223 1.290 -7.990 1.00 41.88 C ATOM 1154 CD2 LEU A 129 -27.663 0.301 -9.783 1.00 32.18 C ATOM 1155 H LEU A 129 -30.041 3.666 -8.501 1.00 0.00 H ATOM 1156 N ILE A 130 -32.055 0.681 -7.151 1.00 31.69 N ATOM 1157 CA ILE A 130 -33.141 0.749 -6.175 1.00 35.49 C ATOM 1158 C ILE A 130 -32.846 -0.215 -5.039 1.00 34.46 C ATOM 1159 O ILE A 130 -32.906 -1.437 -5.215 1.00 34.91 O ATOM 1160 CB ILE A 130 -34.504 0.448 -6.796 1.00 34.40 C ATOM 1161 CG1 ILE A 130 -34.744 1.391 -7.966 1.00 32.09 C ATOM 1162 CG2 ILE A 130 -35.592 0.606 -5.737 1.00 29.28 C ATOM 1163 CD1 ILE A 130 -36.024 1.119 -8.677 1.00 39.32 C ATOM 1164 H ILE A 130 -32.006 -0.127 -7.804 1.00 0.00 H ATOM 1165 N LEU A 131 -32.528 0.354 -3.876 1.00 37.37 N ATOM 1166 CA LEU A 131 -32.337 -0.397 -2.642 1.00 38.36 C ATOM 1167 C LEU A 131 -33.701 -0.683 -2.046 1.00 34.50 C ATOM 1168 O LEU A 131 -34.464 0.250 -1.779 1.00 38.91 O ATOM 1169 CB LEU A 131 -31.489 0.406 -1.656 1.00 36.65 C ATOM 1170 CG LEU A 131 -31.057 -0.266 -0.349 1.00 38.67 C ATOM 1171 CD1 LEU A 131 -29.828 0.457 0.200 1.00 34.02 C ATOM 1172 CD2 LEU A 131 -32.184 -0.310 0.686 1.00 32.16 C ATOM 1173 H LEU A 131 -32.410 1.387 -3.848 1.00 0.00 H ATOM 1174 N ARG A 132 -34.017 -1.947 -1.812 1.00 28.39 N ATOM 1175 CA ARG A 132 -35.318 -2.264 -1.243 1.00 40.12 C ATOM 1176 C ARG A 132 -35.143 -2.937 0.111 1.00 38.63 C ATOM 1177 O ARG A 132 -34.567 -4.031 0.201 1.00 32.98 O ATOM 1178 CB ARG A 132 -36.143 -3.135 -2.182 1.00 42.81 C ATOM 1179 CG ARG A 132 -37.346 -3.760 -1.511 1.00 41.29 C ATOM 1180 CD ARG A 132 -38.252 -4.386 -2.511 1.00 40.45 C ATOM 1181 NE ARG A 132 -38.967 -5.467 -1.860 1.00 56.35 N ATOM 1182 CZ ARG A 132 -39.596 -6.446 -2.496 1.00 66.08 C ATOM 1183 NH1 ARG A 132 -39.585 -6.461 -3.828 1.00 58.07 N ATOM 1184 NH2 ARG A 132 -40.209 -7.401 -1.793 1.00 73.38 N ATOM 1185 HE ARG A 132 -38.988 -5.475 -0.820 1.00 0.00 H ATOM 1186 HH12 ARG A 132 -40.073 -7.221 -4.344 1.00 0.00 H ATOM 1187 HH11 ARG A 132 -39.088 -5.713 -4.352 1.00 0.00 H ATOM 1188 HH22 ARG A 132 -40.704 -8.172 -2.285 1.00 0.00 H ATOM 1189 HH21 ARG A 132 -40.191 -7.374 -0.754 1.00 0.00 H ATOM 1190 H ARG A 132 -33.342 -2.706 -2.033 1.00 0.00 H ATOM 1191 N GLN A 133 -35.680 -2.291 1.149 1.00 33.99 N ATOM 1192 CA GLN A 133 -35.550 -2.716 2.536 1.00 36.18 C ATOM 1193 C GLN A 133 -36.895 -3.214 3.048 1.00 41.20 C ATOM 1194 O GLN A 133 -37.887 -2.468 3.044 1.00 36.21 O ATOM 1195 CB GLN A 133 -35.049 -1.571 3.422 1.00 38.29 C ATOM 1196 CG GLN A 133 -35.093 -1.895 4.931 1.00 40.48 C ATOM 1197 CD GLN A 133 -36.126 -1.078 5.707 1.00 40.60 C ATOM 1198 OE1 GLN A 133 -36.641 -0.075 5.212 1.00 43.72 O ATOM 1199 NE2 GLN A 133 -36.440 -1.517 6.927 1.00 37.09 N ATOM 1200 HE22 GLN A 133 -35.981 -2.369 7.307 1.00 0.00 H ATOM 1201 HE21 GLN A 133 -37.144 -1.007 7.498 1.00 0.00 H ATOM 1202 H GLN A 133 -36.227 -1.428 0.954 1.00 0.00 H ATOM 1203 N THR A 134 -36.917 -4.468 3.482 1.00 38.04 N ATOM 1204 CA THR A 134 -37.990 -5.076 4.248 1.00 42.02 C ATOM 1205 C THR A 134 -37.431 -5.424 5.625 1.00 44.45 C ATOM 1206 O THR A 134 -36.327 -4.986 5.991 1.00 40.23 O ATOM 1207 CB THR A 134 -38.530 -6.306 3.515 1.00 46.63 C ATOM 1208 OG1 THR A 134 -37.503 -7.303 3.434 1.00 45.58 O ATOM 1209 CG2 THR A 134 -38.963 -5.935 2.108 1.00 44.34 C ATOM 1210 HG1 THR A 134 -36.728 -6.937 2.939 1.00 0.00 H ATOM 1211 H THR A 134 -36.097 -5.065 3.254 1.00 0.00 H ATOM 1212 N ASN A 135 -38.162 -6.234 6.386 1.00 40.73 N ATOM 1213 CA ASN A 135 -37.594 -6.669 7.661 1.00 44.32 C ATOM 1214 C ASN A 135 -38.228 -7.992 8.086 1.00 45.45 C ATOM 1215 O ASN A 135 -38.838 -8.694 7.272 1.00 50.95 O ATOM 1216 CB ASN A 135 -37.748 -5.570 8.731 1.00 38.13 C ATOM 1217 CG ASN A 135 -39.192 -5.280 9.076 1.00 40.06 C ATOM 1218 OD1 ASN A 135 -40.059 -6.158 9.009 1.00 40.64 O ATOM 1219 ND2 ASN A 135 -39.462 -4.035 9.450 1.00 33.65 N ATOM 1220 HD22 ASN A 135 -38.700 -3.328 9.492 1.00 0.00 H ATOM 1221 HD21 ASN A 135 -40.435 -3.767 9.701 1.00 0.00 H ATOM 1222 H ASN A 135 -39.106 -6.548 6.084 1.00 0.00 H ATOM 1223 N ASN A 136 -38.075 -8.321 9.366 1.00 52.54 N ATOM 1224 CA ASN A 136 -38.580 -9.546 9.973 1.00 50.05 C ATOM 1225 C ASN A 136 -39.671 -9.259 10.996 1.00 44.41 C ATOM 1226 O ASN A 136 -40.021 -10.145 11.782 1.00 39.65 O ATOM 1227 CB ASN A 136 -37.433 -10.314 10.645 1.00 44.52 C ATOM 1228 CG ASN A 136 -37.013 -9.696 12.010 1.00 45.17 C ATOM 1229 OD1 ASN A 136 -37.239 -8.503 12.291 1.00 40.97 O ATOM 1230 ND2 ASN A 136 -36.389 -10.512 12.846 1.00 39.25 N ATOM 1231 HD22 ASN A 136 -36.218 -11.502 12.576 1.00 0.00 H ATOM 1232 HD21 ASN A 136 -36.070 -10.163 13.772 1.00 0.00 H ATOM 1233 H ASN A 136 -37.558 -7.657 9.977 1.00 0.00 H ATOM 1234 N TYR A 137 -40.216 -8.044 10.994 1.00 42.45 N ATOM 1235 CA TYR A 137 -40.978 -7.527 12.119 1.00 42.93 C ATOM 1236 C TYR A 137 -42.361 -7.034 11.705 1.00 50.28 C ATOM 1237 O TYR A 137 -43.372 -7.471 12.265 1.00 52.99 O ATOM 1238 CB TYR A 137 -40.169 -6.409 12.781 1.00 44.98 C ATOM 1239 CG TYR A 137 -40.844 -5.722 13.948 1.00 45.26 C ATOM 1240 CD1 TYR A 137 -40.915 -6.327 15.196 1.00 39.84 C ATOM 1241 CD2 TYR A 137 -41.379 -4.451 13.806 1.00 46.47 C ATOM 1242 CE1 TYR A 137 -41.535 -5.688 16.262 1.00 42.32 C ATOM 1243 CE2 TYR A 137 -41.986 -3.802 14.867 1.00 44.34 C ATOM 1244 CZ TYR A 137 -42.056 -4.422 16.090 1.00 41.02 C ATOM 1245 OH TYR A 137 -42.653 -3.761 17.131 1.00 38.65 O ATOM 1246 HH TYR A 137 -42.627 -4.331 17.940 1.00 0.00 H ATOM 1247 H TYR A 137 -40.092 -7.442 10.155 1.00 0.00 H ATOM 1248 N ASN A 138 -42.430 -6.122 10.739 1.00 48.96 N ATOM 1249 CA ASN A 138 -43.733 -5.665 10.271 1.00 52.36 C ATOM 1250 C ASN A 138 -43.812 -5.738 8.752 1.00 53.53 C ATOM 1251 O ASN A 138 -42.994 -6.414 8.116 1.00 50.84 O ATOM 1252 CB ASN A 138 -44.032 -4.256 10.784 1.00 47.18 C ATOM 1253 CG ASN A 138 -42.973 -3.253 10.398 1.00 49.45 C ATOM 1254 OD1 ASN A 138 -42.052 -3.559 9.636 1.00 52.56 O ATOM 1255 ND2 ASN A 138 -43.085 -2.044 10.937 1.00 49.87 N ATOM 1256 HD22 ASN A 138 -43.878 -1.830 11.574 1.00 0.00 H ATOM 1257 HD21 ASN A 138 -42.379 -1.311 10.722 1.00 0.00 H ATOM 1258 H ASN A 138 -41.559 -5.737 10.320 1.00 0.00 H ATOM 1259 N SER A 139 -44.799 -5.061 8.165 1.00 56.84 N ATOM 1260 CA SER A 139 -45.075 -5.181 6.734 1.00 66.64 C ATOM 1261 C SER A 139 -44.300 -4.181 5.883 1.00 60.73 C ATOM 1262 O SER A 139 -44.521 -4.130 4.667 1.00 55.91 O ATOM 1263 CB SER A 139 -46.575 -5.009 6.461 1.00 64.94 C ATOM 1264 OG SER A 139 -47.005 -3.707 6.837 1.00 69.63 O ATOM 1265 HG SER A 139 -46.836 -3.571 7.803 1.00 0.00 H ATOM 1266 H SER A 139 -45.390 -4.429 8.742 1.00 0.00 H ATOM 1267 N ASP A 140 -43.408 -3.398 6.492 1.00 56.93 N ATOM 1268 CA ASP A 140 -42.696 -2.347 5.781 1.00 50.67 C ATOM 1269 C ASP A 140 -41.976 -2.896 4.553 1.00 49.72 C ATOM 1270 O ASP A 140 -41.437 -4.007 4.563 1.00 50.21 O ATOM 1271 CB ASP A 140 -41.712 -1.664 6.732 1.00 50.19 C ATOM 1272 CG ASP A 140 -42.419 -0.906 7.855 1.00 53.73 C ATOM 1273 OD1 ASP A 140 -43.655 -1.060 7.982 1.00 53.13 O ATOM 1274 OD2 ASP A 140 -41.745 -0.172 8.619 1.00 52.55 O ATOM 1275 H ASP A 140 -43.216 -3.543 7.504 1.00 0.00 H ATOM 1276 N ASP A 141 -42.030 -2.116 3.474 1.00 49.95 N ATOM 1277 CA ASP A 141 -41.380 -2.416 2.199 1.00 44.22 C ATOM 1278 C ASP A 141 -41.079 -1.047 1.609 1.00 43.52 C ATOM 1279 O ASP A 141 -42.002 -0.326 1.222 1.00 47.85 O ATOM 1280 CB ASP A 141 -42.284 -3.252 1.281 1.00 48.36 C ATOM 1281 CG ASP A 141 -41.549 -3.833 0.058 1.00 57.05 C ATOM 1282 OD1 ASP A 141 -40.724 -3.126 -0.552 1.00 60.20 O ATOM 1283 OD2 ASP A 141 -41.802 -5.007 -0.307 1.00 55.29 O ATOM 1284 H ASP A 141 -42.573 -1.232 3.544 1.00 0.00 H ATOM 1285 N PHE A 142 -39.813 -0.654 1.610 1.00 42.51 N ATOM 1286 CA PHE A 142 -39.441 0.685 1.184 1.00 38.02 C ATOM 1287 C PHE A 142 -38.334 0.608 0.156 1.00 39.72 C ATOM 1288 O PHE A 142 -37.411 -0.209 0.275 1.00 34.62 O ATOM 1289 CB PHE A 142 -38.982 1.556 2.359 1.00 39.87 C ATOM 1290 CG PHE A 142 -39.977 1.636 3.469 1.00 40.48 C ATOM 1291 CD1 PHE A 142 -41.247 2.130 3.240 1.00 46.29 C ATOM 1292 CD2 PHE A 142 -39.650 1.217 4.737 1.00 46.70 C ATOM 1293 CE1 PHE A 142 -42.172 2.205 4.250 1.00 41.47 C ATOM 1294 CE2 PHE A 142 -40.569 1.301 5.755 1.00 50.25 C ATOM 1295 CZ PHE A 142 -41.838 1.788 5.503 1.00 50.38 C ATOM 1296 H PHE A 142 -39.073 -1.315 1.921 1.00 0.00 H ATOM 1297 N GLN A 143 -38.443 1.471 -0.852 1.00 42.78 N ATOM 1298 CA GLN A 143 -37.407 1.645 -1.853 1.00 34.91 C ATOM 1299 C GLN A 143 -36.575 2.874 -1.548 1.00 33.61 C ATOM 1300 O GLN A 143 -37.111 3.943 -1.228 1.00 33.20 O ATOM 1301 CB GLN A 143 -38.005 1.781 -3.235 1.00 39.90 C ATOM 1302 CG GLN A 143 -38.929 0.675 -3.582 1.00 42.62 C ATOM 1303 CD GLN A 143 -39.575 0.956 -4.897 1.00 44.77 C ATOM 1304 OE1 GLN A 143 -40.386 1.885 -5.011 1.00 42.71 O ATOM 1305 NE2 GLN A 143 -39.193 0.191 -5.921 1.00 42.29 N ATOM 1306 HE22 GLN A 143 -38.508 -0.577 -5.769 1.00 0.00 H ATOM 1307 HE21 GLN A 143 -39.580 0.362 -6.871 1.00 0.00 H ATOM 1308 H GLN A 143 -39.307 2.045 -0.925 1.00 0.00 H ATOM 1309 N PHE A 144 -35.264 2.702 -1.646 1.00 33.27 N ATOM 1310 CA PHE A 144 -34.279 3.755 -1.446 1.00 32.70 C ATOM 1311 C PHE A 144 -33.588 3.913 -2.795 1.00 36.54 C ATOM 1312 O PHE A 144 -32.749 3.086 -3.174 1.00 36.57 O ATOM 1313 CB PHE A 144 -33.315 3.386 -0.313 1.00 34.77 C ATOM 1314 CG PHE A 144 -33.960 3.388 1.056 1.00 36.30 C ATOM 1315 CD1 PHE A 144 -34.967 2.491 1.373 1.00 37.28 C ATOM 1316 CD2 PHE A 144 -33.558 4.296 2.027 1.00 40.79 C ATOM 1317 CE1 PHE A 144 -35.567 2.506 2.630 1.00 40.31 C ATOM 1318 CE2 PHE A 144 -34.144 4.313 3.293 1.00 39.07 C ATOM 1319 CZ PHE A 144 -35.152 3.418 3.590 1.00 38.57 C ATOM 1320 H PHE A 144 -34.916 1.751 -1.882 1.00 0.00 H ATOM 1321 N VAL A 145 -33.959 4.956 -3.532 1.00 36.24 N ATOM 1322 CA VAL A 145 -33.580 5.108 -4.932 1.00 36.22 C ATOM 1323 C VAL A 145 -32.344 5.993 -5.048 1.00 32.76 C ATOM 1324 O VAL A 145 -32.403 7.195 -4.762 1.00 32.94 O ATOM 1325 CB VAL A 145 -34.739 5.693 -5.748 1.00 35.70 C ATOM 1326 CG1 VAL A 145 -34.368 5.761 -7.229 1.00 28.69 C ATOM 1327 CG2 VAL A 145 -35.960 4.863 -5.536 1.00 35.06 C ATOM 1328 H VAL A 145 -34.544 5.694 -3.091 1.00 0.00 H ATOM 1329 N TRP A 146 -31.245 5.424 -5.534 1.00 29.83 N ATOM 1330 CA TRP A 146 -29.982 6.141 -5.660 1.00 31.66 C ATOM 1331 C TRP A 146 -29.719 6.460 -7.121 1.00 33.91 C ATOM 1332 O TRP A 146 -29.648 5.552 -7.958 1.00 28.20 O ATOM 1333 CB TRP A 146 -28.832 5.319 -5.085 1.00 29.07 C ATOM 1334 CG TRP A 146 -29.088 4.866 -3.701 1.00 34.56 C ATOM 1335 CD1 TRP A 146 -29.644 3.682 -3.318 1.00 35.01 C ATOM 1336 CD2 TRP A 146 -28.829 5.596 -2.502 1.00 33.39 C ATOM 1337 NE1 TRP A 146 -29.729 3.622 -1.957 1.00 34.75 N ATOM 1338 CE2 TRP A 146 -29.236 4.786 -1.429 1.00 35.72 C ATOM 1339 CE3 TRP A 146 -28.277 6.855 -2.232 1.00 36.01 C ATOM 1340 CZ2 TRP A 146 -29.109 5.185 -0.105 1.00 41.89 C ATOM 1341 CZ3 TRP A 146 -28.145 7.252 -0.924 1.00 40.31 C ATOM 1342 CH2 TRP A 146 -28.565 6.421 0.132 1.00 43.68 C ATOM 1343 HE1 TRP A 146 -30.107 2.822 -1.410 1.00 0.00 H ATOM 1344 H TRP A 146 -31.288 4.430 -5.836 1.00 0.00 H ATOM 1345 N ASN A 147 -29.534 7.740 -7.413 1.00 39.93 N ATOM 1346 CA ASN A 147 -29.204 8.214 -8.755 1.00 35.26 C ATOM 1347 C ASN A 147 -27.701 8.459 -8.841 1.00 36.34 C ATOM 1348 O ASN A 147 -27.196 9.430 -8.269 1.00 38.88 O ATOM 1349 CB ASN A 147 -29.993 9.482 -9.055 1.00 28.80 C ATOM 1350 CG ASN A 147 -31.471 9.237 -9.035 1.00 31.86 C ATOM 1351 OD1 ASN A 147 -32.075 8.979 -10.061 1.00 31.47 O ATOM 1352 ND2 ASN A 147 -32.061 9.274 -7.852 1.00 46.61 N ATOM 1353 HD22 ASN A 147 -31.507 9.499 -7.001 1.00 0.00 H ATOM 1354 HD21 ASN A 147 -33.079 9.078 -7.772 1.00 0.00 H ATOM 1355 H ASN A 147 -29.628 8.440 -6.650 1.00 0.00 H ATOM 1356 N ILE A 148 -26.990 7.597 -9.571 1.00 34.97 N ATOM 1357 CA ILE A 148 -25.526 7.634 -9.632 1.00 36.04 C ATOM 1358 C ILE A 148 -25.065 8.543 -10.774 1.00 39.27 C ATOM 1359 O ILE A 148 -25.421 8.322 -11.940 1.00 36.32 O ATOM 1360 CB ILE A 148 -24.942 6.225 -9.800 1.00 33.53 C ATOM 1361 CG1 ILE A 148 -25.606 5.232 -8.837 1.00 33.94 C ATOM 1362 CG2 ILE A 148 -23.438 6.272 -9.623 1.00 39.44 C ATOM 1363 CD1 ILE A 148 -25.699 5.730 -7.384 1.00 39.88 C ATOM 1364 H ILE A 148 -27.495 6.871 -10.118 1.00 0.00 H ATOM 1365 N TYR A 149 -24.258 9.556 -10.440 1.00 38.15 N ATOM 1366 CA TYR A 149 -23.780 10.562 -11.382 1.00 35.27 C ATOM 1367 C TYR A 149 -22.260 10.523 -11.445 1.00 38.25 C ATOM 1368 O TYR A 149 -21.593 10.186 -10.462 1.00 38.67 O ATOM 1369 CB TYR A 149 -24.246 11.978 -10.994 1.00 39.50 C ATOM 1370 CG TYR A 149 -25.723 12.250 -11.204 1.00 40.71 C ATOM 1371 CD1 TYR A 149 -26.646 12.055 -10.178 1.00 38.92 C ATOM 1372 CD2 TYR A 149 -26.198 12.701 -12.436 1.00 39.69 C ATOM 1373 CE1 TYR A 149 -28.013 12.299 -10.381 1.00 39.84 C ATOM 1374 CE2 TYR A 149 -27.558 12.941 -12.649 1.00 38.90 C ATOM 1375 CZ TYR A 149 -28.459 12.742 -11.618 1.00 40.49 C ATOM 1376 OH TYR A 149 -29.801 12.986 -11.834 1.00 39.47 O ATOM 1377 HH TYR A 149 -30.307 12.797 -11.005 1.00 0.00 H ATOM 1378 H TYR A 149 -23.953 9.631 -9.449 1.00 0.00 H ATOM 1379 N ALA A 150 -21.712 10.871 -12.611 1.00 42.70 N ATOM 1380 CA ALA A 150 -20.267 10.824 -12.836 1.00 49.91 C ATOM 1381 C ALA A 150 -19.649 12.198 -12.590 1.00 50.50 C ATOM 1382 O ALA A 150 -20.140 13.208 -13.108 1.00 48.96 O ATOM 1383 CB ALA A 150 -19.938 10.345 -14.253 1.00 42.05 C ATOM 1384 H ALA A 150 -22.332 11.186 -13.385 1.00 0.00 H ATOM 1385 N ASN A 151 -18.579 12.232 -11.786 1.00 49.56 N ATOM 1386 CA ASN A 151 -17.849 13.480 -11.547 1.00 49.71 C ATOM 1387 C ASN A 151 -16.984 13.843 -12.745 1.00 54.48 C ATOM 1388 O ASN A 151 -17.199 14.864 -13.405 1.00 55.35 O ATOM 1389 CB ASN A 151 -16.963 13.359 -10.305 1.00 52.73 C ATOM 1390 CG ASN A 151 -17.685 13.703 -9.036 1.00 49.71 C ATOM 1391 OD1 ASN A 151 -18.774 14.282 -9.056 1.00 45.05 O ATOM 1392 ND2 ASN A 151 -17.066 13.371 -7.908 1.00 51.98 N ATOM 1393 HD22 ASN A 151 -16.148 12.883 -7.943 1.00 0.00 H ATOM 1394 HD21 ASN A 151 -17.499 13.599 -6.990 1.00 0.00 H ATOM 1395 H ASN A 151 -18.260 11.357 -11.323 1.00 0.00 H ATOM 1396 N ASN A 152 -15.992 13.014 -13.020 1.00 50.73 N ATOM 1397 CA ASN A 152 -15.013 13.290 -14.055 1.00 49.75 C ATOM 1398 C ASN A 152 -15.447 12.627 -15.364 1.00 56.61 C ATOM 1399 O ASN A 152 -16.610 12.259 -15.540 1.00 55.87 O ATOM 1400 CB ASN A 152 -13.656 12.799 -13.582 1.00 48.42 C ATOM 1401 CG ASN A 152 -13.674 11.333 -13.282 1.00 55.69 C ATOM 1402 OD1 ASN A 152 -13.958 10.915 -12.153 1.00 55.73 O ATOM 1403 ND2 ASN A 152 -13.388 10.528 -14.297 1.00 60.73 N ATOM 1404 HD22 ASN A 152 -13.155 10.928 -15.228 1.00 0.00 H ATOM 1405 HD21 ASN A 152 -13.397 9.497 -14.161 1.00 0.00 H ATOM 1406 H ASN A 152 -15.910 12.132 -12.475 1.00 0.00 H ATOM 1407 N ASP A 153 -14.508 12.454 -16.287 1.00 61.62 N ATOM 1408 CA ASP A 153 -14.764 11.872 -17.592 1.00 51.37 C ATOM 1409 C ASP A 153 -13.875 10.656 -17.809 1.00 56.26 C ATOM 1410 O ASP A 153 -12.762 10.567 -17.276 1.00 61.55 O ATOM 1411 CB ASP A 153 -14.531 12.894 -18.703 1.00 56.53 C ATOM 1412 CG ASP A 153 -15.795 13.635 -19.073 1.00 66.43 C ATOM 1413 OD1 ASP A 153 -16.873 13.159 -18.663 1.00 67.89 O ATOM 1414 OD2 ASP A 153 -15.722 14.670 -19.780 1.00 58.64 O ATOM 1415 H ASP A 153 -13.537 12.751 -16.063 1.00 0.00 H ATOM 1416 N VAL A 154 -14.385 9.722 -18.603 1.00 59.09 N ATOM 1417 CA VAL A 154 -13.716 8.465 -18.918 1.00 60.04 C ATOM 1418 C VAL A 154 -13.607 8.395 -20.436 1.00 65.85 C ATOM 1419 O VAL A 154 -14.591 8.654 -21.145 1.00 63.19 O ATOM 1420 CB VAL A 154 -14.513 7.260 -18.377 1.00 56.63 C ATOM 1421 CG1 VAL A 154 -13.931 5.927 -18.864 1.00 59.96 C ATOM 1422 CG2 VAL A 154 -14.658 7.323 -16.868 1.00 55.25 C ATOM 1423 H VAL A 154 -15.319 9.898 -19.026 1.00 0.00 H ATOM 1424 N VAL A 155 -12.421 8.061 -20.940 1.00 62.40 N ATOM 1425 CA VAL A 155 -12.256 7.828 -22.368 1.00 58.17 C ATOM 1426 C VAL A 155 -11.724 6.418 -22.567 1.00 66.60 C ATOM 1427 O VAL A 155 -11.012 5.870 -21.718 1.00 66.87 O ATOM 1428 CB VAL A 155 -11.329 8.865 -23.046 1.00 61.40 C ATOM 1429 CG1 VAL A 155 -11.830 10.280 -22.790 1.00 53.83 C ATOM 1430 CG2 VAL A 155 -9.880 8.686 -22.587 1.00 62.20 C ATOM 1431 H VAL A 155 -11.602 7.965 -20.306 1.00 0.00 H ATOM 1432 N VAL A 156 -12.097 5.827 -23.697 1.00 65.52 N ATOM 1433 CA VAL A 156 -11.649 4.511 -24.127 1.00 66.45 C ATOM 1434 C VAL A 156 -10.766 4.714 -25.354 1.00 71.57 C ATOM 1435 O VAL A 156 -11.270 5.069 -26.433 1.00 73.06 O ATOM 1436 CB VAL A 156 -12.837 3.600 -24.450 1.00 63.77 C ATOM 1437 CG1 VAL A 156 -12.353 2.200 -24.736 1.00 63.32 C ATOM 1438 CG2 VAL A 156 -13.848 3.612 -23.305 1.00 64.24 C ATOM 1439 H VAL A 156 -12.755 6.341 -24.317 1.00 0.00 H ATOM 1440 N PRO A 157 -9.455 4.522 -25.252 1.00 68.83 N ATOM 1441 CA PRO A 157 -8.578 4.897 -26.371 1.00 67.97 C ATOM 1442 C PRO A 157 -8.564 3.833 -27.458 1.00 69.56 C ATOM 1443 O PRO A 157 -8.350 2.654 -27.180 1.00 74.84 O ATOM 1444 CB PRO A 157 -7.192 5.044 -25.725 1.00 82.77 C ATOM 1445 CG PRO A 157 -7.297 4.359 -24.376 1.00 75.90 C ATOM 1446 CD PRO A 157 -8.733 4.216 -24.012 1.00 66.13 C ATOM 1447 N THR A 158 -8.793 4.259 -28.700 1.00 74.77 N ATOM 1448 CA THR A 158 -8.620 3.386 -29.857 1.00 84.79 C ATOM 1449 C THR A 158 -7.135 3.029 -29.974 1.00 86.26 C ATOM 1450 O THR A 158 -6.391 3.626 -30.756 1.00 87.07 O ATOM 1451 CB THR A 158 -9.122 4.061 -31.181 1.00 85.02 C ATOM 1452 OG1 THR A 158 -10.480 4.495 -31.027 1.00 76.76 O ATOM 1453 CG2 THR A 158 -9.028 3.092 -32.376 1.00 74.13 C ATOM 1454 HG1 THR A 158 -10.534 5.150 -30.287 1.00 0.00 H ATOM 1455 H THR A 158 -9.103 5.240 -28.849 1.00 0.00 H TER 1456 THR A 158 HETATM 1457 O HOH 2 -16.160 9.988 -19.609 1.00 57.13 O HETATM 1458 O HOH 3 -12.803 7.167 -25.294 1.00 70.99 O HETATM 1459 O HOH 4 -25.607 13.861 -2.642 1.00 64.18 O HETATM 1460 O HOH 5 -23.347 -6.684 -1.945 1.00 52.86 O HETATM 1461 O HOH 6 -32.581 -4.181 -14.222 1.00 49.20 O HETATM 1462 O HOH 7 -21.622 2.594 -22.139 1.00 56.61 O HETATM 1463 O HOH 8 -38.737 1.320 -10.185 1.00 53.44 O HETATM 1464 O HOH 9 -10.422 10.341 -19.106 1.00 62.37 O HETATM 1465 O HOH 10 -14.229 -4.182 -23.696 1.00 52.19 O HETATM 1466 O HOH 11 -38.109 -5.065 -9.707 1.00 42.30 O HETATM 1467 O HOH 12 -30.634 -14.584 0.215 1.00 63.81 O HETATM 1468 O HOH 13 -12.389 6.751 -27.542 1.00 68.82 O HETATM 1469 O HOH 14 -14.902 -11.612 -6.437 1.00 56.77 O HETATM 1470 O HOH 15 -32.979 -14.739 -2.164 1.00 55.73 O HETATM 1471 O HOH 16 -30.141 5.346 14.010 1.00 46.56 O HETATM 1472 O HOH 17 -11.437 4.679 -28.940 1.00 70.59 O HETATM 1473 O HOH 18 -40.087 -0.895 -7.793 1.00 54.91 O HETATM 1474 O HOH 19 -34.465 -16.691 0.759 1.00 54.38 O HETATM 1475 O HOH 20 -8.105 0.475 -19.211 1.00 59.08 O HETATM 1476 O HOH 21 -46.488 -3.590 9.196 1.00 59.42 O HETATM 1477 O HOH 22 -18.259 -8.771 -14.935 1.00 45.38 O HETATM 1478 O HOH 23 -8.752 1.019 -25.395 1.00 72.56 O HETATM 1479 O HOH 24 -5.772 -6.738 -19.736 1.00 73.05 O HETATM 1480 O HOH 25 -27.183 -12.463 0.728 1.00 45.43 O HETATM 1481 O HOH 26 -24.921 10.773 11.487 1.00 55.76 O HETATM 1482 O HOH 27 -15.810 -2.023 -33.321 1.00 59.58 O HETATM 1483 O HOH 28 -20.429 15.369 -10.666 1.00 60.14 O HETATM 1484 O HOH 29 -30.744 0.181 -17.848 1.00 61.48 O HETATM 1485 O HOH 30 -18.753 -8.934 -11.508 1.00 46.60 O HETATM 1486 O HOH 31 -19.148 16.545 -13.139 1.00 50.25 O HETATM 1487 O HOH 32 -26.594 5.254 7.450 1.00 37.29 O HETATM 1488 O HOH 33 -24.761 -5.177 -20.076 1.00 51.33 O HETATM 1489 O HOH 34 -33.870 -5.882 -12.059 1.00 43.99 O HETATM 1490 O HOH 35 -41.170 -6.286 5.811 1.00 45.89 O HETATM 1491 O HOH 36 -36.874 2.686 6.421 1.00 41.75 O HETATM 1492 O HOH 37 -22.366 10.250 -20.887 1.00 44.24 O HETATM 1493 O HOH 38 -19.604 -8.045 -19.785 1.00 51.32 O HETATM 1494 O HOH 39 -39.647 8.174 4.032 1.00 33.45 O HETATM 1495 O HOH 40 -25.810 -11.917 -3.326 1.00 47.43 O HETATM 1496 O HOH 41 -36.482 11.481 -1.488 1.00 41.69 O HETATM 1497 O HOH 42 -23.032 13.432 -0.226 1.00 55.15 O HETATM 1498 O HOH 43 -27.007 10.295 -18.717 1.00 36.93 O HETATM 1499 O HOH 44 -32.547 13.677 4.432 1.00 46.81 O HETATM 1500 O HOH 45 -34.847 -9.857 15.654 1.00 42.01 O HETATM 1501 O HOH 46 -30.774 -6.655 -8.946 1.00 37.17 O HETATM 1502 O HOH 47 -8.197 -7.859 -21.098 1.00 60.83 O HETATM 1503 O HOH 48 -29.775 -12.038 -12.690 1.00 53.78 O HETATM 1504 O HOH 49 -15.155 -2.881 -13.573 1.00 62.11 O HETATM 1505 O HOH 50 -16.158 8.929 -5.578 1.00 50.08 O HETATM 1506 O HOH 51 -26.213 -2.435 10.621 1.00 41.50 O HETATM 1507 O HOH 52 -42.109 6.296 2.961 1.00 57.86 O HETATM 1508 O HOH 53 -41.979 -8.969 8.199 1.00 46.03 O HETATM 1509 O HOH 54 -36.873 -11.321 -12.794 1.00 49.58 O HETATM 1510 O HOH 55 -33.594 12.052 0.843 1.00 47.39 O HETATM 1511 O HOH 56 -35.574 -7.101 1.446 1.00 44.49 O HETATM 1512 O HOH 57 -23.905 -1.519 16.973 1.00 47.23 O HETATM 1513 O HOH 58 -42.539 0.922 11.052 1.00 53.73 O HETATM 1514 O HOH 59 -29.398 -9.166 -12.574 1.00 43.28 O HETATM 1515 O HOH 60 -27.377 16.168 -6.566 1.00 71.65 O HETATM 1516 O HOH 61 -26.366 -10.709 5.065 1.00 38.38 O HETATM 1517 O HOH 62 -30.473 5.442 20.569 1.00 48.74 O HETATM 1518 O HOH 63 -36.551 -6.474 -10.453 1.00 49.33 O HETATM 1519 O HOH 64 -15.623 14.271 -1.085 1.00 63.46 O HETATM 1520 O HOH 65 -28.394 -7.377 -18.646 1.00 42.81 O HETATM 1521 O HOH 66 -31.342 -16.080 -1.604 1.00 58.66 O HETATM 1522 O HOH 67 -12.430 6.434 -31.875 1.00 50.12 O HETATM 1523 O HOH 68 -14.735 6.366 -24.715 1.00 77.51 O HETATM 1524 O HOH 69 -32.211 2.848 -19.305 1.00 45.37 O HETATM 1525 O HOH 70 -42.153 -8.633 -3.539 1.00 47.72 O HETATM 1526 O HOH 71 -12.577 8.602 -4.792 1.00 41.65 O HETATM 1527 O HOH 72 -35.160 12.476 -7.172 1.00 44.29 O HETATM 1528 O HOH 73 -41.014 4.584 -4.143 1.00 46.33 O HETATM 1529 O HOH 74 -19.690 -3.165 -3.382 1.00 51.50 O HETATM 1530 O HOH 75 -19.803 -6.608 -3.460 1.00 44.34 O HETATM 1531 O HOH 76 -32.274 7.447 13.298 1.00 33.78 O HETATM 1532 O HOH 77 -31.617 4.058 16.493 1.00 52.93 O HETATM 1533 O HOH 78 -18.091 -6.834 -16.537 1.00 50.31 O HETATM 1534 O HOH 79 -29.310 14.315 -3.357 1.00 41.20 O HETATM 1535 O HOH 80 -16.830 -5.440 -27.678 1.00 48.53 O HETATM 1536 O HOH 81 -15.930 -8.703 -10.101 1.00 56.22 O HETATM 1537 O HOH 82 -26.335 -1.555 17.621 1.00 34.75 O HETATM 1538 O HOH 83 -30.169 7.544 -21.119 1.00 41.25 O HETATM 1539 O HOH 84 -41.844 -4.148 23.539 1.00 50.07 O HETATM 1540 O HOH 85 -32.348 -13.297 9.898 1.00 39.92 O HETATM 1541 O HOH 86 -33.094 14.356 1.918 1.00 60.80 O HETATM 1542 O HOH 87 -10.151 -5.539 -15.657 1.00 58.90 O HETATM 1543 O HOH 88 -29.247 -8.615 -10.204 1.00 53.77 O HETATM 1544 O HOH 89 -29.360 -8.104 13.090 1.00 50.35 O HETATM 1545 O HOH 90 -16.054 -12.003 -9.260 1.00 63.95 O HETATM 1546 O HOH 91 -37.015 -10.236 -9.942 1.00 44.77 O HETATM 1547 O HOH 92 -32.625 6.971 10.841 1.00 26.76 O HETATM 1548 O HOH 93 -30.310 -11.042 -8.635 1.00 45.93 O HETATM 1549 O HOH 94 -20.934 10.429 -1.118 1.00 50.75 O HETATM 1550 O HOH 95 -12.451 -5.604 -6.695 1.00 54.55 O HETATM 1551 O HOH 96 -20.656 13.597 5.692 1.00 55.79 O HETATM 1552 O HOH 97 -24.749 12.825 9.309 1.00 52.90 O HETATM 1553 O HOH 98 -29.209 15.284 2.860 1.00 42.33 O HETATM 1554 O HOH 99 -24.679 16.476 -11.805 1.00 57.50 O HETATM 1555 O HOH 100 -7.129 5.690 -15.605 1.00 66.93 O HETATM 1556 O HOH 101 -39.189 -7.802 -7.444 1.00 47.80 O HETATM 1557 O HOH 102 -6.850 -0.890 -18.061 1.00 61.15 O HETATM 1558 O HOH 103 -27.593 5.197 14.001 1.00 47.51 O HETATM 1559 O HOH 104 -36.015 -0.175 -14.279 1.00 44.01 O HETATM 1560 O HOH 105 -34.684 9.110 9.590 1.00 41.42 O HETATM 1561 O HOH 106 -16.930 -13.211 -7.471 1.00 63.89 O HETATM 1562 O HOH 107 -35.194 -6.887 -13.499 1.00 58.62 O HETATM 1563 O HOH 108 -41.949 -1.173 -8.404 1.00 38.04 O HETATM 1564 O HOH 109 -35.099 -4.457 -14.637 1.00 41.23 O HETATM 1565 O HOH 110 -21.890 8.150 -26.187 1.00 49.16 O HETATM 1566 O HOH 111 -4.881 2.044 -18.593 1.00 48.28 O HETATM 1567 O HOH 112 -22.781 -2.978 10.795 1.00 49.85 O HETATM 1568 O HOH 113 -37.782 -1.594 -14.627 1.00 50.45 O HETATM 1569 O HOH 114 -27.147 10.026 11.486 1.00 48.66 O HETATM 1570 O HOH 115 -23.289 13.057 -3.312 1.00 46.90 O HETATM 1571 O HOH 116 -13.441 1.414 -7.793 1.00 45.04 O HETATM 1572 O HOH 117 -28.440 15.898 0.233 1.00 68.86 O HETATM 1573 O HOH 118 -19.221 -7.556 -1.486 1.00 46.12 O HETATM 1574 O HOH 119 -31.098 6.212 18.747 1.00 35.37 O HETATM 1575 O HOH 120 -30.113 7.686 13.553 1.00 41.58 O HETATM 1576 O HOH 121 -30.543 8.299 11.554 1.00 32.58 O HETATM 1577 O HOH 122 -13.673 16.016 -16.450 1.00 43.92 O HETATM 1578 O HOH 123 -21.863 11.564 -2.592 1.00 50.71 O HETATM 1579 O HOH 124 -16.413 -10.986 -3.888 1.00 59.99 O HETATM 1580 O HOH 125 -20.413 14.220 -3.859 1.00 58.23 O HETATM 1581 O HOH 126 -22.422 -3.719 16.406 1.00 40.88 O HETATM 1582 O HOH 127 -11.166 10.128 -3.532 1.00 59.67 O HETATM 1583 O HOH 128 -41.633 -8.496 4.673 1.00 48.58 O HETATM 1584 O HOH 129 -38.428 -10.409 -8.212 1.00 52.41 O HETATM 1585 O HOH 130 -22.842 12.697 7.524 1.00 44.77 O HETATM 1586 O HOH 131 -2.606 -1.128 -22.549 1.00 65.65 O HETATM 1587 O HOH 132 -20.901 11.245 10.120 1.00 55.26 O HETATM 1588 O HOH 133 -14.760 17.919 -14.595 1.00 61.56 O HETATM 1589 O HOH 134 -19.022 -4.155 1.753 1.00 45.59 O HETATM 1590 O HOH 135 -40.328 -10.989 -6.775 1.00 44.86 O HETATM 1591 O HOH 136 -30.111 16.292 -4.544 1.00 60.44 O HETATM 1592 O HOH 137 -38.533 -9.744 -12.597 1.00 62.46 O HETATM 1593 O HOH 138 -20.351 -15.654 -1.086 1.00 52.59 O HETATM 1594 O HOH 139 -34.932 -14.481 5.721 1.00 44.65 O HETATM 1595 O HOH 140 -41.874 -9.667 -5.508 1.00 51.96 O HETATM 1596 O HOH 141 -32.404 15.763 -13.804 1.00 53.42 O HETATM 1597 O HOH 142 -38.036 -8.469 -10.776 1.00 53.58 O HETATM 1598 O HOH 143 -25.969 -13.454 -1.320 1.00 38.54 O HETATM 1599 O HOH 144 -31.113 14.948 -2.078 1.00 56.53 O HETATM 1600 O HOH 145 -12.878 6.299 -3.996 1.00 41.65 O HETATM 1601 O HOH 146 -19.832 8.208 11.312 1.00 60.22 O HETATM 1602 O HOH 147 -28.219 -15.784 0.411 1.00 50.85 O HETATM 1603 O HOH 148 -37.470 -12.724 -11.023 1.00 63.68 O HETATM 1604 O HOH 149 -30.506 16.374 1.473 1.00 61.68 O HETATM 1605 O HOH 150 -23.347 8.501 -28.296 1.00 41.44 O HETATM 1606 O HOH 151 -36.249 13.605 3.119 1.00 55.75 O HETATM 1607 O HOH 152 -23.521 14.833 8.316 1.00 50.83 O HETATM 1608 O HOH 153 -34.028 -6.773 -19.842 1.00 43.37 O HETATM 1609 O HOH 154 -18.813 7.499 -34.151 1.00 62.01 O HETATM 1610 O HOH 155 -21.090 -16.381 1.758 1.00 48.13 O HETATM 1611 O HOH 156 -19.393 -14.539 3.174 1.00 47.23 O HETATM 1612 O HOH 157 -30.426 13.535 8.734 1.00 44.69 O HETATM 1613 O HOH 158 1.037 -4.091 -23.000 1.00 51.88 O HETATM 1614 O HOH 159 -10.524 -10.524 0.000 1.00 61.35 O HETATM 1615 O HOH 160 2.474 -2.474 -24.441 1.00 75.75 O HETATM 1616 O HOH 161 -34.962 20.029 8.623 1.00 50.77 O HETATM 1617 O HOH 162 -2.530 -4.186 -7.335 1.00 61.31 O HETATM 1618 N1 XKA A 163 -39.165 1.254 12.434 1.00 -0.25 N HETATM 1619 C13 XKA A 163 -38.800 1.338 13.732 1.00 0.19 C HETATM 1620 S14 XKA A 163 -39.845 0.907 15.033 1.00 0.03 S HETATM 1621 C16 XKA A 163 -38.543 1.326 16.110 1.00 0.09 C HETATM 1622 C15 XKA A 163 -37.435 1.775 15.410 1.00 -0.02 C HETATM 1623 N17 XKA A 163 -37.595 1.772 14.115 1.00 -0.31 N HETATM 1624 H7 XKA A 163 -36.516 2.100 15.895 1.00 0.06 H HETATM 1625 C18 XKA A 163 -38.518 1.322 17.514 1.00 0.15 C HETATM 1626 C20 XKA A 163 -38.920 0.465 18.542 1.00 0.10 C HETATM 1627 S02 XKA A 163 -38.966 1.211 20.121 1.00 0.00 S HETATM 1628 C07 XKA A 163 -39.434 -0.330 20.755 1.00 0.14 C HETATM 1629 N02 XKA A 163 -39.531 -1.297 19.822 1.00 -0.28 N HETATM 1630 C06 XKA A 163 -39.241 -0.896 18.566 1.00 0.03 C HETATM 1631 C12 XKA A 163 -39.309 -1.850 17.450 1.00 -0.02 C HETATM 1632 H17 XKA A 163 -39.593 -2.841 17.832 1.00 0.04 H HETATM 1633 H18 XKA A 163 -38.325 -1.914 16.962 1.00 0.04 H HETATM 1634 H19 XKA A 163 -40.059 -1.509 16.721 1.00 0.04 H HETATM 1635 C08 XKA A 163 -39.677 -0.513 22.123 1.00 0.12 C HETATM 1636 N03 XKA A 163 -39.947 0.579 22.906 1.00 -0.26 N HETATM 1637 C09 XKA A 163 -40.178 0.465 24.232 1.00 0.04 C HETATM 1638 C10 XKA A 163 -40.140 -0.816 24.824 1.00 0.04 C HETATM 1639 N04 XKA A 163 -39.866 -1.912 24.061 1.00 -0.27 N HETATM 1640 C11 XKA A 163 -39.631 -1.797 22.729 1.00 0.06 C HETATM 1641 H16 XKA A 163 -39.410 -2.676 22.134 1.00 0.10 H HETATM 1642 H6 XKA A 163 -40.329 -0.928 25.886 1.00 0.09 H HETATM 1643 H15 XKA A 163 -40.389 1.343 24.832 1.00 0.09 H HETATM 1644 O19 XKA A 163 -37.959 2.337 17.997 1.00 -0.40 O HETATM 1645 C1 XKA A 163 -38.221 1.729 11.473 1.00 0.18 C HETATM 1646 C2 XKA A 163 -38.621 1.480 9.999 1.00 0.13 C HETATM 1647 O2 XKA A 163 -37.714 2.168 9.133 1.00 -0.38 O HETATM 1648 H10 XKA A 163 -37.962 2.013 8.229 1.00 0.21 H HETATM 1649 C3 XKA A 163 -38.567 -0.038 9.678 1.00 0.11 C HETATM 1650 C4 XKA A 163 -37.204 -0.680 10.110 1.00 0.11 C HETATM 1651 C5 XKA A 163 -36.908 -0.314 11.596 1.00 0.11 C HETATM 1652 C6 XKA A 163 -35.518 -0.761 12.120 1.00 0.07 C HETATM 1653 O6 XKA A 163 -34.435 -0.168 11.393 1.00 -0.39 O HETATM 1654 H14 XKA A 163 -34.495 -0.417 10.478 1.00 0.21 H HETATM 1655 H4 XKA A 163 -35.444 -1.855 12.031 1.00 0.06 H HETATM 1656 H5 XKA A 163 -35.431 -0.472 13.178 1.00 0.06 H HETATM 1657 O5 XKA A 163 -36.940 1.118 11.696 1.00 -0.34 O HETATM 1658 H3 XKA A 163 -37.687 -0.761 12.231 1.00 0.06 H HETATM 1659 O4 XKA A 163 -37.099 -2.105 9.895 1.00 -0.39 O HETATM 1660 H13 XKA A 163 -36.245 -2.406 10.184 1.00 0.21 H HETATM 1661 H2 XKA A 163 -36.423 -0.214 9.491 1.00 0.06 H HETATM 1662 O3 XKA A 163 -38.785 -0.198 8.279 1.00 -0.39 O HETATM 1663 H12 XKA A 163 -39.636 0.157 8.050 1.00 0.21 H HETATM 1664 H11 XKA A 163 -39.375 -0.545 10.226 1.00 0.06 H HETATM 1665 H9 XKA A 163 -39.642 1.853 9.832 1.00 0.07 H HETATM 1666 H8 XKA A 163 -38.124 2.815 11.616 1.00 0.09 H HETATM 1667 H1 XKA A 163 -40.077 0.867 12.152 1.00 0.20 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1618 1619 1645 1667 CONECT 1619 1618 1620 1623 CONECT 1620 1619 1621 CONECT 1621 1620 1622 1625 CONECT 1622 1621 1623 1624 CONECT 1623 1619 1622 CONECT 1624 1622 CONECT 1625 1621 1626 1644 CONECT 1626 1625 1627 1630 CONECT 1627 1626 1628 CONECT 1628 1627 1629 1635 CONECT 1629 1628 1630 CONECT 1630 1626 1629 1631 CONECT 1631 1630 1632 1633 1634 CONECT 1632 1631 CONECT 1633 1631 CONECT 1634 1631 CONECT 1635 1628 1636 1640 CONECT 1636 1635 1637 CONECT 1637 1636 1638 1643 CONECT 1638 1637 1639 1642 CONECT 1639 1638 1640 CONECT 1640 1635 1639 1641 CONECT 1641 1640 CONECT 1642 1638 CONECT 1643 1637 CONECT 1644 1625 CONECT 1645 1618 1646 1657 1666 CONECT 1646 1645 1647 1649 1665 CONECT 1647 1646 1648 CONECT 1648 1647 CONECT 1649 1646 1650 1662 1664 CONECT 1650 1649 1651 1659 1661 CONECT 1651 1650 1652 1657 1658 CONECT 1652 1651 1653 1655 1656 CONECT 1653 1652 1654 CONECT 1654 1653 CONECT 1655 1652 CONECT 1656 1652 CONECT 1657 1645 1651 CONECT 1658 1651 CONECT 1659 1650 1660 CONECT 1660 1659 CONECT 1661 1650 CONECT 1662 1649 1663 CONECT 1663 1662 CONECT 1664 1649 CONECT 1665 1646 CONECT 1666 1645 CONECT 1667 1618 MASTER 0 0 0 0 0 0 0 0 1666 1 54 13 END
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Related entries of code: 5mts
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
164aa, >1TR7_1|Chains... at 96%
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158aa, >1UWF_1|Chain... at 100%
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4auj
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158aa, >4AUJ_1|Chain... at 100%
4auy
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158aa, >4AUY_1|Chains... at 100%
4av0
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PDBbind
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4av4
RCSB PDB
PDBbind
158aa, >4AV4_1|Chain... at 99%
4av5
RCSB PDB
PDBbind
158aa, >4AV5_1|Chains... at 100%
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PDBbind
158aa, >4AVH_1|Chains... at 100%
4avi
RCSB PDB
PDBbind
158aa, >4AVI_1|Chains... at 100%
4avj
RCSB PDB
PDBbind
158aa, >4AVJ_1|Chains... at 100%
4buq
RCSB PDB
PDBbind
158aa, >4BUQ_1|Chains... at 100%
4ca4
RCSB PDB
PDBbind
158aa, >4CA4_1|Chains... at 99%
4css
RCSB PDB
PDBbind
163aa, >4CSS_1|Chain... at 97%
4cst
RCSB PDB
PDBbind
163aa, >4CST_1|Chain... at 97%
4lov
RCSB PDB
PDBbind
158aa, >4LOV_1|Chain... at 100%
4x50
RCSB PDB
PDBbind
160aa, >4X50_1|Chains... at 99%
4x5p
RCSB PDB
PDBbind
160aa, >4X5P_1|Chain... at 99%
4x5q
RCSB PDB
PDBbind
160aa, >4X5Q_1|Chain... at 99%
4x5r
RCSB PDB
PDBbind
160aa, >4X5R_1|Chains... at 99%
4xo8
RCSB PDB
PDBbind
158aa, >4XO8_1|Chains... at 100%
4xoc
RCSB PDB
PDBbind
159aa, >4XOC_1|Chains... at 98%
5f2f
RCSB PDB
PDBbind
158aa, >5F2F_1|Chain... at 100%
5fs5
RCSB PDB
PDBbind
158aa, >5FS5_1|Chain... at 99%
5fwr
RCSB PDB
PDBbind
158aa, >5FWR_1|Chains... at 100%
5muc
RCSB PDB
PDBbind
158aa, >5MUC_1|Chains... at 100%
6g2s
RCSB PDB
PDBbind
158aa, >6G2S_1|Chains... at 100%
6g2r
RCSB PDB
PDBbind
158aa, >6G2R_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5mts
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein FimH
Ligand Name
XKA
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
IC50=70nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) ChemMedChem Vol. 12: pp. 986-998
Ligand Properties
Formula
C
1
8
H
1
9
N
5
O
6
S
2
Molecular Weight
465.503
Exact Mass
465.078
No. of atoms
50
No. of bonds
53
Polar Surface Area
227.29
LOGP Value
0.14 (
Computed with XLOGP3
)
-0.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 4
Canonical SMILES
OC[C@H]1O[C@H](Nc2ncc(s2)C(=O)c2sc(nc2C)c2cnccn2)[C@H]([C@H]([C@@H]1O)O)O
InChI String
InChI=1S/C18H19N5O6S2/c1-7-15(31-17(22-7)8-4-19-2-3-20-8)12(26)10-5-21-18(30-10)23-16-14(28)13(27)11(25)9(6-24)29-16/h2-5,9,11,13-14,16,24-25,27-28H,6H2,1H3,(H,21,23)/t9-,11-,13+,14+,16+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P08191
Entrez Gene ID
NCBI Entrez Gene ID:
948847
ASD
Information of known allosteric effects of PDB entries
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