Browse entries in the PDBbind-CN Database
HEADER 5MUC_COMPLEX COMPND 5MUC_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 AH A 2 23 SSBOND 1 CYS A 3 CYS A 44 ATOM 1 N PHE A 1 -19.366 -3.527 -9.918 1.00 28.49 N ATOM 2 CA PHE A 1 -19.492 -3.553 -8.434 1.00 28.42 C ATOM 3 C PHE A 1 -18.145 -3.278 -7.777 1.00 28.38 C ATOM 4 O PHE A 1 -17.168 -3.975 -8.037 1.00 27.77 O ATOM 5 CB PHE A 1 -20.037 -4.902 -7.964 1.00 27.51 C ATOM 6 CG PHE A 1 -20.293 -4.970 -6.480 1.00 27.56 C ATOM 7 CD1 PHE A 1 -19.290 -5.363 -5.607 1.00 27.05 C ATOM 8 CD2 PHE A 1 -21.536 -4.650 -5.961 1.00 28.31 C ATOM 9 CE1 PHE A 1 -19.521 -5.430 -4.247 1.00 27.13 C ATOM 10 CE2 PHE A 1 -21.774 -4.713 -4.602 1.00 28.44 C ATOM 11 CZ PHE A 1 -20.765 -5.104 -3.746 1.00 27.78 C ATOM 12 HN3 PHE A 1 -18.688 -4.256 -10.220 1.00 0.00 H ATOM 13 HN2 PHE A 1 -19.028 -2.591 -10.220 1.00 0.00 H ATOM 14 HN1 PHE A 1 -20.294 -3.717 -10.347 1.00 0.00 H ATOM 15 N ALA A 2 -18.105 -2.260 -6.920 1.00 29.23 N ATOM 16 CA ALA A 2 -16.922 -1.966 -6.125 1.00 29.38 C ATOM 17 C ALA A 2 -17.366 -1.349 -4.805 1.00 29.87 C ATOM 18 O ALA A 2 -18.522 -0.956 -4.634 1.00 30.37 O ATOM 19 CB ALA A 2 -15.963 -1.039 -6.876 1.00 30.44 C ATOM 20 H ALA A 2 -18.945 -1.656 -6.815 1.00 0.00 H ATOM 21 N CYS A 3 -16.429 -1.267 -3.864 1.00 32.57 N ATOM 22 CA CYS A 3 -16.720 -0.760 -2.532 1.00 33.02 C ATOM 23 C CYS A 3 -15.688 0.283 -2.132 1.00 33.91 C ATOM 24 O CYS A 3 -14.559 0.294 -2.625 1.00 34.09 O ATOM 25 CB CYS A 3 -16.749 -1.896 -1.500 1.00 32.28 C ATOM 26 SG CYS A 3 -17.991 -3.166 -1.838 1.00 31.48 S ATOM 27 H CYS A 3 -15.461 -1.574 -4.087 1.00 0.00 H ATOM 28 N LYS A 4 -16.093 1.157 -1.212 1.00 39.70 N ATOM 29 CA LYS A 4 -15.220 2.203 -0.704 1.00 40.66 C ATOM 30 C LYS A 4 -15.478 2.379 0.784 1.00 40.81 C ATOM 31 O LYS A 4 -16.537 2.013 1.298 1.00 40.53 O ATOM 32 CB LYS A 4 -15.438 3.539 -1.432 1.00 41.89 C ATOM 33 CG LYS A 4 -16.776 4.214 -1.129 1.00 45.99 C ATOM 34 CD LYS A 4 -16.970 5.483 -1.956 1.00 50.94 C ATOM 35 CE LYS A 4 -18.105 6.345 -1.407 1.00 56.05 C ATOM 36 NZ LYS A 4 -18.357 7.574 -2.223 1.00 60.70 N ATOM 37 HZ1 LYS A 4 -17.497 8.159 -2.241 1.00 0.00 H ATOM 38 HZ2 LYS A 4 -18.611 7.298 -3.193 1.00 0.00 H ATOM 39 HZ3 LYS A 4 -19.137 8.116 -1.800 1.00 0.00 H ATOM 40 H LYS A 4 -17.064 1.089 -0.846 1.00 0.00 H ATOM 41 N THR A 5 -14.489 2.941 1.473 1.00 34.91 N ATOM 42 CA THR A 5 -14.593 3.220 2.897 1.00 35.14 C ATOM 43 C THR A 5 -15.017 4.668 3.129 1.00 36.46 C ATOM 44 O THR A 5 -15.006 5.504 2.222 1.00 37.31 O ATOM 45 CB THR A 5 -13.267 2.933 3.608 1.00 35.54 C ATOM 46 OG1 THR A 5 -12.248 3.796 3.091 1.00 36.17 O ATOM 47 CG2 THR A 5 -12.855 1.479 3.419 1.00 34.65 C ATOM 48 HG1 THR A 5 -12.507 4.739 3.245 1.00 0.00 H ATOM 49 H THR A 5 -13.610 3.190 0.976 1.00 0.00 H ATOM 50 N ALA A 6 -15.396 4.955 4.378 1.00 36.51 N ATOM 51 CA ALA A 6 -15.818 6.304 4.741 1.00 37.93 C ATOM 52 C ALA A 6 -14.776 7.346 4.359 1.00 39.35 C ATOM 53 O ALA A 6 -15.125 8.469 3.978 1.00 41.23 O ATOM 54 CB ALA A 6 -16.110 6.379 6.240 1.00 38.03 C ATOM 55 H ALA A 6 -15.390 4.207 5.101 1.00 0.00 H ATOM 56 N ASN A 7 -13.493 6.998 4.451 1.00 48.55 N ATOM 57 CA ASN A 7 -12.421 7.929 4.118 1.00 49.76 C ATOM 58 C ASN A 7 -12.038 7.915 2.641 1.00 49.94 C ATOM 59 O ASN A 7 -11.208 8.730 2.228 1.00 51.14 O ATOM 60 CB ASN A 7 -11.183 7.633 4.975 1.00 49.73 C ATOM 61 CG ASN A 7 -10.627 6.236 4.750 1.00 57.59 C ATOM 62 OD1 ASN A 7 -10.676 5.700 3.642 1.00 56.13 O ATOM 63 ND2 ASN A 7 -10.098 5.636 5.810 1.00 55.68 N ATOM 64 HD22 ASN A 7 -10.077 6.125 6.728 1.00 0.00 H ATOM 65 HD21 ASN A 7 -9.705 4.677 5.722 1.00 0.00 H ATOM 66 H ASN A 7 -13.250 6.038 4.768 1.00 0.00 H ATOM 67 N GLY A 8 -12.610 7.018 1.840 1.00 47.92 N ATOM 68 CA GLY A 8 -12.345 6.984 0.417 1.00 48.05 C ATOM 69 C GLY A 8 -11.446 5.863 -0.063 1.00 47.21 C ATOM 70 O GLY A 8 -11.138 5.815 -1.260 1.00 47.35 O ATOM 71 H GLY A 8 -13.266 6.322 2.248 1.00 0.00 H ATOM 72 N THR A 9 -11.013 4.967 0.820 1.00 40.85 N ATOM 73 CA THR A 9 -10.260 3.798 0.382 1.00 40.22 C ATOM 74 C THR A 9 -11.183 2.869 -0.396 1.00 39.01 C ATOM 75 O THR A 9 -12.237 2.467 0.104 1.00 38.21 O ATOM 76 CB THR A 9 -9.655 3.069 1.583 1.00 40.91 C ATOM 77 OG1 THR A 9 -8.896 3.991 2.375 1.00 41.55 O ATOM 78 CG2 THR A 9 -8.745 1.933 1.130 1.00 40.74 C ATOM 79 HG1 THR A 9 -8.506 3.515 3.151 1.00 0.00 H ATOM 80 H THR A 9 -11.213 5.102 1.832 1.00 0.00 H ATOM 81 N ALA A 10 -10.788 2.528 -1.618 1.00 35.48 N ATOM 82 CA ALA A 10 -11.646 1.801 -2.543 1.00 34.30 C ATOM 83 C ALA A 10 -11.086 0.416 -2.832 1.00 33.17 C ATOM 84 O ALA A 10 -9.872 0.240 -2.971 1.00 33.81 O ATOM 85 CB ALA A 10 -11.800 2.567 -3.861 1.00 35.47 C ATOM 86 H ALA A 10 -9.830 2.790 -1.925 1.00 0.00 H ATOM 87 N ILE A 11 -11.978 -0.560 -2.928 1.00 31.63 N ATOM 88 CA ILE A 11 -11.675 -1.857 -3.521 1.00 30.67 C ATOM 89 C ILE A 11 -12.411 -1.920 -4.856 1.00 30.39 C ATOM 90 O ILE A 11 -13.648 -1.882 -4.873 1.00 29.92 O ATOM 91 CB ILE A 11 -12.083 -3.028 -2.613 1.00 29.45 C ATOM 92 CG1 ILE A 11 -11.380 -2.910 -1.259 1.00 29.82 C ATOM 93 CG2 ILE A 11 -11.728 -4.351 -3.293 1.00 28.78 C ATOM 94 CD1 ILE A 11 -11.689 -4.039 -0.289 1.00 28.91 C ATOM 95 H ILE A 11 -12.938 -0.393 -2.564 1.00 0.00 H ATOM 96 N PRO A 12 -11.714 -2.018 -5.980 1.00 30.80 N ATOM 97 CA PRO A 12 -12.360 -1.863 -7.286 1.00 30.78 C ATOM 98 C PRO A 12 -13.052 -3.146 -7.739 1.00 29.34 C ATOM 99 O PRO A 12 -13.004 -4.182 -7.079 1.00 28.48 O ATOM 100 CB PRO A 12 -11.184 -1.514 -8.196 1.00 31.95 C ATOM 101 CG PRO A 12 -10.051 -2.291 -7.607 1.00 31.89 C ATOM 102 CD PRO A 12 -10.266 -2.259 -6.115 1.00 31.53 C ATOM 103 N ILE A 13 -13.715 -3.044 -8.892 1.00 29.29 N ATOM 104 CA ILE A 13 -14.324 -4.185 -9.568 1.00 28.17 C ATOM 105 C ILE A 13 -13.374 -5.374 -9.497 1.00 27.63 C ATOM 106 O ILE A 13 -12.181 -5.249 -9.792 1.00 28.32 O ATOM 107 CB ILE A 13 -14.666 -3.839 -11.032 1.00 28.50 C ATOM 108 CG1 ILE A 13 -15.881 -2.908 -11.103 1.00 29.09 C ATOM 109 CG2 ILE A 13 -14.908 -5.107 -11.855 1.00 27.45 C ATOM 110 CD1 ILE A 13 -16.067 -2.258 -12.464 1.00 29.92 C ATOM 111 H ILE A 13 -13.802 -2.105 -9.331 1.00 0.00 H ATOM 112 N GLY A 14 -13.895 -6.532 -9.103 1.00 26.68 N ATOM 113 CA GLY A 14 -13.102 -7.736 -9.002 1.00 26.40 C ATOM 114 C GLY A 14 -12.675 -8.093 -7.595 1.00 26.49 C ATOM 115 O GLY A 14 -12.186 -9.208 -7.377 1.00 26.41 O ATOM 116 H GLY A 14 -14.905 -6.573 -8.860 1.00 0.00 H ATOM 117 N GLY A 15 -12.830 -7.184 -6.643 1.00 26.80 N ATOM 118 CA GLY A 15 -12.511 -7.490 -5.269 1.00 26.86 C ATOM 119 C GLY A 15 -11.106 -7.075 -4.893 1.00 27.81 C ATOM 120 O GLY A 15 -10.398 -6.363 -5.612 1.00 28.59 O ATOM 121 H GLY A 15 -13.186 -6.238 -6.889 1.00 0.00 H ATOM 122 N GLY A 16 -10.703 -7.541 -3.717 1.00 27.97 N ATOM 123 CA GLY A 16 -9.436 -7.158 -3.132 1.00 29.08 C ATOM 124 C GLY A 16 -9.570 -6.991 -1.635 1.00 29.11 C ATOM 125 O GLY A 16 -10.449 -7.603 -1.021 1.00 28.35 O ATOM 126 H GLY A 16 -11.317 -8.202 -3.200 1.00 0.00 H ATOM 127 N SER A 17 -8.721 -6.165 -1.031 1.00 30.30 N ATOM 128 CA SER A 17 -8.765 -5.966 0.407 1.00 30.39 C ATOM 129 C SER A 17 -8.516 -4.502 0.730 1.00 31.06 C ATOM 130 O SER A 17 -7.994 -3.739 -0.087 1.00 31.95 O ATOM 131 CB SER A 17 -7.739 -6.853 1.122 1.00 31.10 C ATOM 132 OG SER A 17 -6.422 -6.450 0.794 1.00 32.34 O ATOM 133 HG SER A 17 -5.773 -7.032 1.263 1.00 0.00 H ATOM 134 H SER A 17 -8.014 -5.653 -1.597 1.00 0.00 H ATOM 135 N ALA A 18 -8.900 -4.121 1.946 1.00 36.64 N ATOM 136 CA ALA A 18 -8.661 -2.779 2.452 1.00 37.24 C ATOM 137 C ALA A 18 -8.778 -2.817 3.967 1.00 37.18 C ATOM 138 O ALA A 18 -9.482 -3.661 4.528 1.00 36.47 O ATOM 139 CB ALA A 18 -9.645 -1.762 1.861 1.00 36.96 C ATOM 140 H ALA A 18 -9.388 -4.807 2.556 1.00 0.00 H ATOM 141 N ASN A 19 -8.084 -1.892 4.620 1.00 35.62 N ATOM 142 CA ASN A 19 -8.107 -1.798 6.070 1.00 35.66 C ATOM 143 C ASN A 19 -9.159 -0.786 6.504 1.00 35.39 C ATOM 144 O ASN A 19 -9.314 0.270 5.883 1.00 35.79 O ATOM 145 CB ASN A 19 -6.729 -1.398 6.598 1.00 36.76 C ATOM 146 CG ASN A 19 -5.657 -2.414 6.248 1.00 39.67 C ATOM 147 OD1 ASN A 19 -5.929 -3.610 6.138 1.00 36.71 O ATOM 148 ND2 ASN A 19 -4.429 -1.940 6.069 1.00 38.47 N ATOM 149 HD22 ASN A 19 -4.245 -0.922 6.172 1.00 0.00 H ATOM 150 HD21 ASN A 19 -3.652 -2.587 5.826 1.00 0.00 H ATOM 151 H ASN A 19 -7.508 -1.216 4.079 1.00 0.00 H ATOM 152 N VAL A 20 -9.879 -1.117 7.574 1.00 31.50 N ATOM 153 CA VAL A 20 -10.923 -0.261 8.130 1.00 31.44 C ATOM 154 C VAL A 20 -10.585 0.016 9.591 1.00 31.76 C ATOM 155 O VAL A 20 -10.449 -0.917 10.391 1.00 31.24 O ATOM 156 CB VAL A 20 -12.311 -0.906 7.999 1.00 30.40 C ATOM 157 CG1 VAL A 20 -13.400 0.063 8.434 1.00 30.72 C ATOM 158 CG2 VAL A 20 -12.549 -1.381 6.566 1.00 30.03 C ATOM 159 H VAL A 20 -9.689 -2.029 8.036 1.00 0.00 H ATOM 160 N TYR A 21 -10.450 1.294 9.933 1.00 36.95 N ATOM 161 CA TYR A 21 -10.059 1.726 11.270 1.00 37.38 C ATOM 162 C TYR A 21 -11.268 2.340 11.960 1.00 37.23 C ATOM 163 O TYR A 21 -11.816 3.340 11.486 1.00 37.71 O ATOM 164 CB TYR A 21 -8.912 2.732 11.202 1.00 38.53 C ATOM 165 CG TYR A 21 -7.701 2.213 10.467 1.00 38.94 C ATOM 166 CD1 TYR A 21 -6.705 1.518 11.138 1.00 39.18 C ATOM 167 CD2 TYR A 21 -7.556 2.414 9.103 1.00 39.20 C ATOM 168 CE1 TYR A 21 -5.596 1.036 10.471 1.00 40.06 C ATOM 169 CE2 TYR A 21 -6.450 1.938 8.426 1.00 39.68 C ATOM 170 CZ TYR A 21 -5.473 1.250 9.114 1.00 42.80 C ATOM 171 OH TYR A 21 -4.372 0.776 8.438 1.00 44.77 O ATOM 172 HH TYR A 21 -3.772 0.310 9.073 1.00 0.00 H ATOM 173 H TYR A 21 -10.632 2.021 9.212 1.00 0.00 H ATOM 174 N VAL A 22 -11.675 1.746 13.077 1.00 32.38 N ATOM 175 CA VAL A 22 -12.933 2.080 13.732 1.00 32.22 C ATOM 176 C VAL A 22 -12.649 2.637 15.121 1.00 32.69 C ATOM 177 O VAL A 22 -11.772 2.140 15.836 1.00 32.57 O ATOM 178 CB VAL A 22 -13.859 0.847 13.815 1.00 31.16 C ATOM 179 CG1 VAL A 22 -14.194 0.348 12.421 1.00 30.77 C ATOM 180 CG2 VAL A 22 -13.199 -0.270 14.614 1.00 30.65 C ATOM 181 H VAL A 22 -11.071 1.013 13.501 1.00 0.00 H ATOM 182 N ASN A 23 -13.396 3.673 15.497 1.00 33.38 N ATOM 183 CA ASN A 23 -13.381 4.165 16.866 1.00 33.76 C ATOM 184 C ASN A 23 -14.283 3.282 17.720 1.00 32.92 C ATOM 185 O ASN A 23 -15.405 2.955 17.321 1.00 32.75 O ATOM 186 CB ASN A 23 -13.848 5.621 16.923 1.00 35.10 C ATOM 187 CG ASN A 23 -12.925 6.564 16.170 1.00 36.35 C ATOM 188 OD1 ASN A 23 -11.702 6.429 16.223 1.00 36.53 O ATOM 189 ND2 ASN A 23 -13.508 7.529 15.470 1.00 37.51 N ATOM 190 HD22 ASN A 23 -14.545 7.606 15.453 1.00 0.00 H ATOM 191 HD21 ASN A 23 -12.928 8.209 14.938 1.00 0.00 H ATOM 192 H ASN A 23 -14.004 4.141 14.796 1.00 0.00 H ATOM 193 N LEU A 24 -13.792 2.896 18.893 1.00 32.66 N ATOM 194 CA LEU A 24 -14.525 2.033 19.806 1.00 32.08 C ATOM 195 C LEU A 24 -14.782 2.761 21.119 1.00 32.60 C ATOM 196 O LEU A 24 -13.958 3.558 21.579 1.00 33.17 O ATOM 197 CB LEU A 24 -13.752 0.736 20.073 1.00 31.44 C ATOM 198 CG LEU A 24 -13.420 -0.105 18.836 1.00 31.00 C ATOM 199 CD1 LEU A 24 -12.340 -1.132 19.144 1.00 30.88 C ATOM 200 CD2 LEU A 24 -14.666 -0.796 18.316 1.00 30.57 C ATOM 201 H LEU A 24 -12.845 3.224 19.170 1.00 0.00 H ATOM 202 N ALA A 25 -15.937 2.484 21.714 1.00 32.57 N ATOM 203 CA ALA A 25 -16.255 3.037 23.020 1.00 33.07 C ATOM 204 C ALA A 25 -15.141 2.684 24.006 1.00 32.78 C ATOM 205 O ALA A 25 -14.767 1.507 24.113 1.00 32.18 O ATOM 206 CB ALA A 25 -17.596 2.494 23.514 1.00 33.17 C ATOM 207 H ALA A 25 -16.623 1.863 21.239 1.00 0.00 H ATOM 208 N PRO A 26 -14.593 3.656 24.742 1.00 33.37 N ATOM 209 CA PRO A 26 -13.394 3.368 25.546 1.00 33.27 C ATOM 210 C PRO A 26 -13.655 2.507 26.771 1.00 32.92 C ATOM 211 O PRO A 26 -12.704 1.912 27.293 1.00 32.82 O ATOM 212 CB PRO A 26 -12.897 4.764 25.941 1.00 34.23 C ATOM 213 CG PRO A 26 -14.135 5.590 25.984 1.00 34.77 C ATOM 214 CD PRO A 26 -15.043 5.050 24.908 1.00 34.38 C ATOM 215 N VAL A 27 -14.895 2.415 27.245 1.00 32.99 N ATOM 216 CA VAL A 27 -15.221 1.619 28.425 1.00 32.87 C ATOM 217 C VAL A 27 -16.495 0.832 28.146 1.00 32.88 C ATOM 218 O VAL A 27 -17.511 1.410 27.747 1.00 33.38 O ATOM 219 CB VAL A 27 -15.390 2.504 29.677 1.00 33.41 C ATOM 220 CG1 VAL A 27 -15.567 1.647 30.921 1.00 33.39 C ATOM 221 CG2 VAL A 27 -14.193 3.437 29.842 1.00 33.70 C ATOM 222 H VAL A 27 -15.658 2.928 26.758 1.00 0.00 H ATOM 223 N VAL A 28 -16.440 -0.485 28.354 1.00 32.63 N ATOM 224 CA VAL A 28 -17.579 -1.374 28.136 1.00 32.87 C ATOM 225 C VAL A 28 -17.711 -2.297 29.340 1.00 33.28 C ATOM 226 O VAL A 28 -16.778 -3.042 29.661 1.00 33.14 O ATOM 227 CB VAL A 28 -17.434 -2.195 26.845 1.00 32.45 C ATOM 228 CG1 VAL A 28 -18.682 -3.044 26.614 1.00 32.94 C ATOM 229 CG2 VAL A 28 -17.177 -1.277 25.662 1.00 32.12 C ATOM 230 H VAL A 28 -15.545 -0.898 28.687 1.00 0.00 H ATOM 231 N ASN A 29 -18.870 -2.257 29.992 1.00 34.03 N ATOM 232 CA ASN A 29 -19.132 -3.092 31.155 1.00 34.70 C ATOM 233 C ASN A 29 -19.543 -4.498 30.734 1.00 35.15 C ATOM 234 O ASN A 29 -20.076 -4.712 29.641 1.00 35.13 O ATOM 235 CB ASN A 29 -20.252 -2.489 32.000 1.00 35.61 C ATOM 236 CG ASN A 29 -19.857 -1.187 32.652 1.00 37.34 C ATOM 237 OD1 ASN A 29 -18.765 -0.670 32.429 1.00 34.91 O ATOM 238 ND2 ASN A 29 -20.758 -0.636 33.452 1.00 36.98 N ATOM 239 HD22 ASN A 29 -21.670 -1.109 33.612 1.00 0.00 H ATOM 240 HD21 ASN A 29 -20.553 0.270 33.920 1.00 0.00 H ATOM 241 H ASN A 29 -19.612 -1.609 29.660 1.00 0.00 H ATOM 242 N VAL A 30 -19.292 -5.465 31.620 1.00 37.75 N ATOM 243 CA VAL A 30 -19.896 -6.778 31.445 1.00 38.03 C ATOM 244 C VAL A 30 -21.407 -6.596 31.441 1.00 38.87 C ATOM 245 O VAL A 30 -21.962 -5.836 32.245 1.00 39.48 O ATOM 246 CB VAL A 30 -19.448 -7.752 32.551 1.00 38.23 C ATOM 247 CG1 VAL A 30 -17.921 -7.866 32.591 1.00 37.62 C ATOM 248 CG2 VAL A 30 -20.032 -7.371 33.915 1.00 38.83 C ATOM 249 H VAL A 30 -18.668 -5.281 32.431 1.00 0.00 H ATOM 250 N GLY A 31 -22.084 -7.278 30.527 1.00 38.23 N ATOM 251 CA GLY A 31 -23.507 -7.080 30.355 1.00 39.38 C ATOM 252 C GLY A 31 -23.892 -5.990 29.377 1.00 38.77 C ATOM 253 O GLY A 31 -25.092 -5.786 29.150 1.00 39.93 O ATOM 254 H GLY A 31 -21.585 -7.965 29.926 1.00 0.00 H ATOM 255 N GLN A 32 -22.924 -5.281 28.802 1.00 42.33 N ATOM 256 CA GLN A 32 -23.173 -4.293 27.763 1.00 42.43 C ATOM 257 C GLN A 32 -22.603 -4.780 26.437 1.00 41.52 C ATOM 258 O GLN A 32 -21.750 -5.669 26.390 1.00 40.75 O ATOM 259 CB GLN A 32 -22.557 -2.935 28.120 1.00 42.33 C ATOM 260 CG GLN A 32 -23.115 -2.295 29.383 1.00 46.43 C ATOM 261 CD GLN A 32 -22.522 -0.920 29.644 1.00 53.12 C ATOM 262 OE1 GLN A 32 -21.515 -0.540 29.043 1.00 49.99 O ATOM 263 NE2 GLN A 32 -23.145 -0.168 30.545 1.00 52.67 N ATOM 264 HE22 GLN A 32 -23.992 -0.530 31.028 1.00 0.00 H ATOM 265 HE21 GLN A 32 -22.786 0.782 30.767 1.00 0.00 H ATOM 266 H GLN A 32 -21.943 -5.440 29.110 1.00 0.00 H ATOM 267 N ASN A 33 -23.090 -4.186 25.353 1.00 31.37 N ATOM 268 CA ASN A 33 -22.582 -4.466 24.017 1.00 30.61 C ATOM 269 C ASN A 33 -21.626 -3.370 23.571 1.00 29.91 C ATOM 270 O ASN A 33 -21.964 -2.183 23.620 1.00 30.32 O ATOM 271 CB ASN A 33 -23.711 -4.582 22.991 1.00 31.33 C ATOM 272 CG ASN A 33 -24.408 -5.922 23.032 1.00 35.86 C ATOM 273 OD1 ASN A 33 -23.790 -6.948 23.306 1.00 34.46 O ATOM 274 ND2 ASN A 33 -25.694 -5.927 22.709 1.00 34.71 N ATOM 275 HD22 ASN A 33 -26.177 -5.034 22.484 1.00 0.00 H ATOM 276 HD21 ASN A 33 -26.219 -6.824 22.680 1.00 0.00 H ATOM 277 H ASN A 33 -23.861 -3.497 25.462 1.00 0.00 H ATOM 278 N LEU A 34 -20.437 -3.773 23.143 1.00 29.36 N ATOM 279 CA LEU A 34 -19.601 -2.920 22.314 1.00 28.99 C ATOM 280 C LEU A 34 -20.052 -3.105 20.871 1.00 28.89 C ATOM 281 O LEU A 34 -19.954 -4.212 20.328 1.00 28.67 O ATOM 282 CB LEU A 34 -18.130 -3.293 22.476 1.00 28.75 C ATOM 283 CG LEU A 34 -17.136 -2.598 21.542 1.00 28.98 C ATOM 284 CD1 LEU A 34 -17.087 -1.108 21.835 1.00 29.44 C ATOM 285 CD2 LEU A 34 -15.754 -3.221 21.665 1.00 29.57 C ATOM 286 H LEU A 34 -20.095 -4.719 23.406 1.00 0.00 H ATOM 287 N VAL A 35 -20.555 -2.041 20.249 1.00 27.48 N ATOM 288 CA VAL A 35 -21.107 -2.122 18.901 1.00 27.56 C ATOM 289 C VAL A 35 -20.101 -1.535 17.926 1.00 27.30 C ATOM 290 O VAL A 35 -19.633 -0.402 18.102 1.00 27.61 O ATOM 291 CB VAL A 35 -22.459 -1.399 18.791 1.00 28.43 C ATOM 292 CG1 VAL A 35 -23.029 -1.569 17.380 1.00 28.59 C ATOM 293 CG2 VAL A 35 -23.433 -1.923 19.830 1.00 29.06 C ATOM 294 H VAL A 35 -20.554 -1.124 20.739 1.00 0.00 H ATOM 295 N VAL A 36 -19.774 -2.304 16.898 1.00 26.34 N ATOM 296 CA VAL A 36 -18.947 -1.847 15.791 1.00 26.32 C ATOM 297 C VAL A 36 -19.854 -1.822 14.567 1.00 26.46 C ATOM 298 O VAL A 36 -20.040 -2.841 13.893 1.00 26.25 O ATOM 299 CB VAL A 36 -17.725 -2.749 15.586 1.00 26.14 C ATOM 300 CG1 VAL A 36 -16.738 -2.115 14.624 1.00 27.10 C ATOM 301 CG2 VAL A 36 -17.053 -3.032 16.926 1.00 26.34 C ATOM 302 H VAL A 36 -20.126 -3.283 16.881 1.00 0.00 H ATOM 303 N ASP A 37 -20.431 -0.653 14.285 1.00 28.85 N ATOM 304 CA ASP A 37 -21.376 -0.484 13.182 1.00 29.07 C ATOM 305 C ASP A 37 -20.578 -0.106 11.943 1.00 29.03 C ATOM 306 O ASP A 37 -20.149 1.039 11.791 1.00 29.48 O ATOM 307 CB ASP A 37 -22.413 0.583 13.512 1.00 29.86 C ATOM 308 CG ASP A 37 -23.484 0.706 12.445 1.00 30.45 C ATOM 309 OD1 ASP A 37 -23.521 -0.151 11.537 1.00 30.10 O ATOM 310 OD2 ASP A 37 -24.278 1.670 12.506 1.00 31.74 O ATOM 311 H ASP A 37 -20.199 0.172 14.874 1.00 0.00 H ATOM 312 N LEU A 38 -20.370 -1.074 11.058 1.00 27.31 N ATOM 313 CA LEU A 38 -19.576 -0.845 9.862 1.00 27.43 C ATOM 314 C LEU A 38 -20.384 -0.280 8.701 1.00 27.91 C ATOM 315 O LEU A 38 -19.790 0.136 7.702 1.00 28.23 O ATOM 316 CB LEU A 38 -18.875 -2.143 9.460 1.00 26.96 C ATOM 317 CG LEU A 38 -17.732 -2.395 10.451 1.00 27.24 C ATOM 318 CD1 LEU A 38 -17.714 -3.836 10.928 1.00 26.88 C ATOM 319 CD2 LEU A 38 -16.390 -2.002 9.850 1.00 28.80 C ATOM 320 H LEU A 38 -20.783 -2.014 11.224 1.00 0.00 H ATOM 321 N SER A 39 -21.717 -0.249 8.800 1.00 27.97 N ATOM 322 CA SER A 39 -22.512 0.344 7.732 1.00 28.59 C ATOM 323 C SER A 39 -22.206 1.827 7.556 1.00 29.61 C ATOM 324 O SER A 39 -22.517 2.396 6.505 1.00 30.34 O ATOM 325 CB SER A 39 -24.006 0.149 8.005 1.00 29.14 C ATOM 326 OG SER A 39 -24.396 0.764 9.218 1.00 30.08 O ATOM 327 HG SER A 39 -23.885 0.366 9.967 1.00 0.00 H ATOM 328 H SER A 39 -22.186 -0.648 9.638 1.00 0.00 H ATOM 329 N THR A 40 -21.599 2.466 8.551 1.00 29.56 N ATOM 330 CA THR A 40 -21.194 3.858 8.424 1.00 30.86 C ATOM 331 C THR A 40 -19.799 4.005 7.833 1.00 30.92 C ATOM 332 O THR A 40 -19.331 5.135 7.661 1.00 32.27 O ATOM 333 CB THR A 40 -21.238 4.562 9.788 1.00 31.49 C ATOM 334 OG1 THR A 40 -20.289 3.961 10.673 1.00 30.50 O ATOM 335 CG2 THR A 40 -22.626 4.475 10.403 1.00 31.83 C ATOM 336 HG1 THR A 40 -20.510 3.003 10.791 1.00 0.00 H ATOM 337 H THR A 40 -21.409 1.960 9.440 1.00 0.00 H ATOM 338 N GLN A 41 -19.123 2.896 7.521 1.00 33.23 N ATOM 339 CA GLN A 41 -17.761 2.955 7.015 1.00 34.30 C ATOM 340 C GLN A 41 -17.504 2.115 5.772 1.00 34.36 C ATOM 341 O GLN A 41 -16.421 2.242 5.191 1.00 35.56 O ATOM 342 CB GLN A 41 -16.773 2.538 8.114 1.00 34.80 C ATOM 343 CG GLN A 41 -16.858 3.443 9.331 1.00 36.52 C ATOM 344 CD GLN A 41 -15.694 3.279 10.281 1.00 42.97 C ATOM 345 OE1 GLN A 41 -15.871 2.898 11.437 1.00 40.81 O ATOM 346 NE2 GLN A 41 -14.493 3.585 9.802 1.00 41.86 N ATOM 347 HE22 GLN A 41 -14.392 3.903 8.817 1.00 0.00 H ATOM 348 HE21 GLN A 41 -13.654 3.506 10.412 1.00 0.00 H ATOM 349 H GLN A 41 -19.581 1.970 7.643 1.00 0.00 H ATOM 350 N ILE A 42 -18.440 1.268 5.349 1.00 29.49 N ATOM 351 CA ILE A 42 -18.270 0.441 4.157 1.00 29.18 C ATOM 352 C ILE A 42 -19.482 0.658 3.265 1.00 29.32 C ATOM 353 O ILE A 42 -20.621 0.427 3.689 1.00 29.04 O ATOM 354 CB ILE A 42 -18.104 -1.050 4.498 1.00 28.35 C ATOM 355 CG1 ILE A 42 -16.890 -1.246 5.413 1.00 29.22 C ATOM 356 CG2 ILE A 42 -17.959 -1.878 3.216 1.00 28.56 C ATOM 357 CD1 ILE A 42 -16.701 -2.665 5.911 1.00 28.98 C ATOM 358 H ILE A 42 -19.326 1.192 5.888 1.00 0.00 H ATOM 359 N PHE A 43 -19.237 1.090 2.032 1.00 40.76 N ATOM 360 CA PHE A 43 -20.291 1.441 1.095 1.00 40.52 C ATOM 361 C PHE A 43 -19.968 0.803 -0.246 1.00 40.67 C ATOM 362 O PHE A 43 -18.818 0.839 -0.695 1.00 41.55 O ATOM 363 CB PHE A 43 -20.413 2.964 0.941 1.00 41.27 C ATOM 364 CG PHE A 43 -20.579 3.697 2.242 1.00 41.40 C ATOM 365 CD1 PHE A 43 -19.473 4.043 3.002 1.00 41.96 C ATOM 366 CD2 PHE A 43 -21.838 4.046 2.706 1.00 41.32 C ATOM 367 CE1 PHE A 43 -19.618 4.717 4.201 1.00 42.10 C ATOM 368 CE2 PHE A 43 -21.989 4.721 3.906 1.00 41.62 C ATOM 369 CZ PHE A 43 -20.877 5.057 4.653 1.00 41.85 C ATOM 370 H PHE A 43 -18.248 1.181 1.724 1.00 0.00 H ATOM 371 N CYS A 44 -20.982 0.227 -0.887 1.00 41.89 N ATOM 372 CA CYS A 44 -20.809 -0.439 -2.168 1.00 41.98 C ATOM 373 C CYS A 44 -21.919 -0.010 -3.119 1.00 41.95 C ATOM 374 O CYS A 44 -22.940 0.547 -2.705 1.00 42.00 O ATOM 375 CB CYS A 44 -20.807 -1.965 -2.003 1.00 41.52 C ATOM 376 SG CYS A 44 -19.621 -2.571 -0.767 1.00 41.81 S ATOM 377 H CYS A 44 -21.929 0.254 -0.458 1.00 0.00 H ATOM 378 N HIS A 45 -21.706 -0.271 -4.407 1.00 30.13 N ATOM 379 CA HIS A 45 -22.661 0.137 -5.427 1.00 30.77 C ATOM 380 C HIS A 45 -22.602 -0.826 -6.604 1.00 30.40 C ATOM 381 O HIS A 45 -21.617 -1.541 -6.803 1.00 30.00 O ATOM 382 CB HIS A 45 -22.379 1.563 -5.910 1.00 32.12 C ATOM 383 CG HIS A 45 -21.178 1.669 -6.797 1.00 32.53 C ATOM 384 ND1 HIS A 45 -19.901 1.838 -6.307 1.00 32.74 N ATOM 385 CD2 HIS A 45 -21.061 1.624 -8.146 1.00 32.98 C ATOM 386 CE1 HIS A 45 -19.050 1.893 -7.316 1.00 33.45 C ATOM 387 NE2 HIS A 45 -19.728 1.765 -8.443 1.00 33.54 N ATOM 388 H HIS A 45 -20.842 -0.776 -4.690 1.00 0.00 H ATOM 389 N ASN A 46 -23.680 -0.824 -7.387 1.00 30.52 N ATOM 390 CA ASN A 46 -23.777 -1.604 -8.615 1.00 30.38 C ATOM 391 C ASN A 46 -23.399 -0.727 -9.805 1.00 31.26 C ATOM 392 O ASN A 46 -23.917 0.384 -9.953 1.00 32.26 O ATOM 393 CB ASN A 46 -25.197 -2.151 -8.778 1.00 30.49 C ATOM 394 CG ASN A 46 -25.371 -2.992 -10.032 1.00 30.45 C ATOM 395 OD1 ASN A 46 -24.665 -2.816 -11.026 1.00 30.60 O ATOM 396 ND2 ASN A 46 -26.329 -3.911 -9.991 1.00 30.47 N ATOM 397 HD22 ASN A 46 -26.902 -4.026 -9.131 1.00 0.00 H ATOM 398 HD21 ASN A 46 -26.506 -4.515 -10.819 1.00 0.00 H ATOM 399 H ASN A 46 -24.492 -0.237 -7.109 1.00 0.00 H ATOM 400 N ASP A 47 -22.496 -1.226 -10.650 1.00 31.16 N ATOM 401 CA ASP A 47 -21.981 -0.451 -11.772 1.00 32.16 C ATOM 402 C ASP A 47 -22.809 -0.584 -13.045 1.00 32.48 C ATOM 403 O ASP A 47 -22.566 0.165 -13.997 1.00 33.49 O ATOM 404 CB ASP A 47 -20.534 -0.855 -12.078 1.00 32.28 C ATOM 405 CG ASP A 47 -19.529 -0.142 -11.196 1.00 32.80 C ATOM 406 OD1 ASP A 47 -19.476 1.105 -11.243 1.00 33.92 O ATOM 407 OD2 ASP A 47 -18.773 -0.829 -10.477 1.00 32.32 O ATOM 408 H ASP A 47 -22.149 -2.196 -10.504 1.00 0.00 H ATOM 409 N TYR A 48 -23.769 -1.502 -13.095 1.00 31.87 N ATOM 410 CA TYR A 48 -24.543 -1.711 -14.313 1.00 32.25 C ATOM 411 C TYR A 48 -25.980 -2.056 -13.937 1.00 32.27 C ATOM 412 O TYR A 48 -26.515 -3.074 -14.393 1.00 32.04 O ATOM 413 CB TYR A 48 -23.901 -2.829 -15.148 1.00 31.84 C ATOM 414 CG TYR A 48 -24.291 -2.906 -16.619 1.00 32.37 C ATOM 415 CD1 TYR A 48 -25.095 -1.940 -17.220 1.00 33.26 C ATOM 416 CD2 TYR A 48 -23.830 -3.952 -17.413 1.00 32.18 C ATOM 417 CE1 TYR A 48 -25.433 -2.026 -18.567 1.00 33.78 C ATOM 418 CE2 TYR A 48 -24.161 -4.043 -18.751 1.00 32.67 C ATOM 419 CZ TYR A 48 -24.961 -3.080 -19.324 1.00 33.39 C ATOM 420 OH TYR A 48 -25.287 -3.177 -20.660 1.00 33.92 O ATOM 421 HH TYR A 48 -25.772 -4.025 -20.819 1.00 0.00 H ATOM 422 H TYR A 48 -23.971 -2.079 -12.254 1.00 0.00 H ATOM 423 N PRO A 49 -26.642 -1.230 -13.120 1.00 32.82 N ATOM 424 CA PRO A 49 -27.970 -1.614 -12.611 1.00 33.12 C ATOM 425 C PRO A 49 -29.025 -1.728 -13.694 1.00 34.03 C ATOM 426 O PRO A 49 -30.051 -2.383 -13.468 1.00 34.39 O ATOM 427 CB PRO A 49 -28.308 -0.488 -11.623 1.00 33.91 C ATOM 428 CG PRO A 49 -27.478 0.669 -12.062 1.00 34.50 C ATOM 429 CD PRO A 49 -26.215 0.084 -12.611 1.00 33.51 C ATOM 430 N GLU A 50 -28.813 -1.105 -14.855 1.00 34.62 N ATOM 431 CA GLU A 50 -29.783 -1.190 -15.938 1.00 35.57 C ATOM 432 C GLU A 50 -29.966 -2.619 -16.425 1.00 34.89 C ATOM 433 O GLU A 50 -31.018 -2.941 -16.988 1.00 35.74 O ATOM 434 CB GLU A 50 -29.346 -0.305 -17.106 1.00 36.30 C ATOM 435 CG GLU A 50 -29.238 1.177 -16.768 1.00 37.55 C ATOM 436 CD GLU A 50 -27.903 1.546 -16.141 1.00 36.90 C ATOM 437 OE1 GLU A 50 -27.108 0.627 -15.846 1.00 35.45 O ATOM 438 OE2 GLU A 50 -27.648 2.754 -15.943 1.00 38.10 O ATOM 439 H GLU A 50 -27.943 -0.551 -14.988 1.00 0.00 H ATOM 440 N THR A 51 -28.975 -3.484 -16.206 1.00 33.66 N ATOM 441 CA THR A 51 -28.945 -4.805 -16.822 1.00 33.30 C ATOM 442 C THR A 51 -28.677 -5.896 -15.792 1.00 32.61 C ATOM 443 O THR A 51 -29.140 -7.031 -15.949 1.00 32.85 O ATOM 444 CB THR A 51 -27.867 -4.847 -17.910 1.00 32.99 C ATOM 445 OG1 THR A 51 -28.171 -3.889 -18.931 1.00 33.81 O ATOM 446 CG2 THR A 51 -27.773 -6.235 -18.539 1.00 32.82 C ATOM 447 HG1 THR A 51 -27.471 -3.921 -19.631 1.00 0.00 H ATOM 448 H THR A 51 -28.197 -3.207 -15.574 1.00 0.00 H ATOM 449 N ILE A 52 -27.931 -5.565 -14.742 1.00 31.97 N ATOM 450 CA ILE A 52 -27.407 -6.550 -13.805 1.00 31.36 C ATOM 451 C ILE A 52 -27.962 -6.287 -12.414 1.00 31.38 C ATOM 452 O ILE A 52 -28.204 -5.141 -12.020 1.00 31.61 O ATOM 453 CB ILE A 52 -25.863 -6.529 -13.783 1.00 30.72 C ATOM 454 CG1 ILE A 52 -25.321 -6.801 -15.191 1.00 30.96 C ATOM 455 CG2 ILE A 52 -25.324 -7.530 -12.755 1.00 30.33 C ATOM 456 CD1 ILE A 52 -23.811 -6.872 -15.280 1.00 30.82 C ATOM 457 H ILE A 52 -27.712 -4.561 -14.583 1.00 0.00 H ATOM 458 N THR A 53 -28.166 -7.370 -11.669 1.00 31.37 N ATOM 459 CA THR A 53 -28.430 -7.319 -10.236 1.00 31.31 C ATOM 460 C THR A 53 -27.269 -7.990 -9.514 1.00 30.55 C ATOM 461 O THR A 53 -26.944 -9.148 -9.800 1.00 30.70 O ATOM 462 CB THR A 53 -29.754 -8.002 -9.891 1.00 32.40 C ATOM 463 OG1 THR A 53 -30.835 -7.294 -10.510 1.00 33.40 O ATOM 464 CG2 THR A 53 -29.970 -8.031 -8.384 1.00 32.46 C ATOM 465 HG1 THR A 53 -30.709 -7.295 -11.492 1.00 0.00 H ATOM 466 H THR A 53 -28.136 -8.301 -12.132 1.00 0.00 H ATOM 467 N ASP A 54 -26.648 -7.263 -8.590 1.00 21.69 N ATOM 468 CA ASP A 54 -25.548 -7.791 -7.794 1.00 21.67 C ATOM 469 C ASP A 54 -26.062 -8.369 -6.481 1.00 21.82 C ATOM 470 O ASP A 54 -27.011 -7.852 -5.886 1.00 22.05 O ATOM 471 CB ASP A 54 -24.517 -6.698 -7.508 1.00 21.87 C ATOM 472 CG ASP A 54 -23.787 -6.242 -8.753 1.00 22.07 C ATOM 473 OD1 ASP A 54 -23.486 -7.101 -9.611 1.00 22.01 O ATOM 474 OD2 ASP A 54 -23.510 -5.029 -8.869 1.00 22.55 O ATOM 475 H ASP A 54 -26.958 -6.283 -8.430 1.00 0.00 H ATOM 476 N TYR A 55 -25.425 -9.446 -6.034 1.00 22.16 N ATOM 477 CA TYR A 55 -25.781 -10.114 -4.790 1.00 22.49 C ATOM 478 C TYR A 55 -24.601 -10.037 -3.838 1.00 22.49 C ATOM 479 O TYR A 55 -23.462 -10.304 -4.233 1.00 22.61 O ATOM 480 CB TYR A 55 -26.165 -11.572 -5.032 1.00 23.08 C ATOM 481 CG TYR A 55 -27.328 -11.746 -5.977 1.00 23.30 C ATOM 482 CD1 TYR A 55 -28.555 -11.150 -5.714 1.00 23.51 C ATOM 483 CD2 TYR A 55 -27.203 -12.503 -7.132 1.00 23.55 C ATOM 484 CE1 TYR A 55 -29.625 -11.303 -6.574 1.00 23.94 C ATOM 485 CE2 TYR A 55 -28.267 -12.663 -7.998 1.00 23.85 C ATOM 486 CZ TYR A 55 -29.476 -12.059 -7.716 1.00 24.03 C ATOM 487 OH TYR A 55 -30.538 -12.216 -8.580 1.00 24.54 O ATOM 488 HH TYR A 55 -31.322 -11.722 -8.231 1.00 0.00 H ATOM 489 H TYR A 55 -24.638 -9.828 -6.597 1.00 0.00 H ATOM 490 N VAL A 56 -24.878 -9.686 -2.587 1.00 30.03 N ATOM 491 CA VAL A 56 -23.843 -9.415 -1.598 1.00 30.06 C ATOM 492 C VAL A 56 -24.152 -10.204 -0.337 1.00 30.42 C ATOM 493 O VAL A 56 -25.260 -10.114 0.203 1.00 30.65 O ATOM 494 CB VAL A 56 -23.743 -7.910 -1.283 1.00 30.01 C ATOM 495 CG1 VAL A 56 -22.778 -7.658 -0.129 1.00 30.22 C ATOM 496 CG2 VAL A 56 -23.317 -7.149 -2.527 1.00 29.97 C ATOM 497 H VAL A 56 -25.875 -9.601 -2.302 1.00 0.00 H ATOM 498 N THR A 57 -23.174 -10.972 0.129 1.00 23.04 N ATOM 499 CA THR A 57 -23.279 -11.694 1.383 1.00 23.51 C ATOM 500 C THR A 57 -22.088 -11.349 2.259 1.00 23.52 C ATOM 501 O THR A 57 -21.042 -10.901 1.782 1.00 23.47 O ATOM 502 CB THR A 57 -23.313 -13.217 1.183 1.00 24.36 C ATOM 503 OG1 THR A 57 -22.070 -13.659 0.625 1.00 24.68 O ATOM 504 CG2 THR A 57 -24.445 -13.619 0.276 1.00 24.61 C ATOM 505 HG1 THR A 57 -22.097 -14.640 0.498 1.00 0.00 H ATOM 506 H THR A 57 -22.299 -11.059 -0.426 1.00 0.00 H ATOM 507 N LEU A 58 -22.269 -11.572 3.554 1.00 23.78 N ATOM 508 CA LEU A 58 -21.157 -11.673 4.492 1.00 24.05 C ATOM 509 C LEU A 58 -20.733 -13.135 4.492 1.00 24.92 C ATOM 510 O LEU A 58 -21.315 -13.962 5.199 1.00 25.51 O ATOM 511 CB LEU A 58 -21.573 -11.197 5.880 1.00 24.02 C ATOM 512 CG LEU A 58 -20.563 -11.428 7.002 1.00 24.38 C ATOM 513 CD1 LEU A 58 -19.294 -10.643 6.739 1.00 24.35 C ATOM 514 CD2 LEU A 58 -21.171 -11.038 8.333 1.00 24.43 C ATOM 515 H LEU A 58 -23.239 -11.679 3.913 1.00 0.00 H ATOM 516 N GLN A 59 -19.721 -13.463 3.688 1.00 26.81 N ATOM 517 CA GLN A 59 -19.339 -14.863 3.540 1.00 28.05 C ATOM 518 C GLN A 59 -18.735 -15.396 4.828 1.00 28.84 C ATOM 519 O GLN A 59 -19.089 -16.487 5.289 1.00 29.85 O ATOM 520 CB GLN A 59 -18.351 -15.032 2.389 1.00 28.63 C ATOM 521 CG GLN A 59 -18.160 -16.485 2.001 1.00 30.22 C ATOM 522 CD GLN A 59 -17.031 -16.693 1.019 1.00 35.33 C ATOM 523 OE1 GLN A 59 -16.148 -15.846 0.878 1.00 34.26 O ATOM 524 NE2 GLN A 59 -17.050 -17.830 0.334 1.00 34.57 N ATOM 525 HE22 GLN A 59 -17.816 -18.516 0.487 1.00 0.00 H ATOM 526 HE21 GLN A 59 -16.298 -18.035 -0.355 1.00 0.00 H ATOM 527 H GLN A 59 -19.206 -12.724 3.169 1.00 0.00 H ATOM 528 N ARG A 60 -17.820 -14.639 5.424 1.00 31.43 N ATOM 529 CA ARG A 60 -17.157 -15.090 6.633 1.00 32.21 C ATOM 530 C ARG A 60 -16.672 -13.880 7.411 1.00 31.52 C ATOM 531 O ARG A 60 -16.169 -12.916 6.828 1.00 31.19 O ATOM 532 CB ARG A 60 -15.998 -16.038 6.306 1.00 33.85 C ATOM 533 CG ARG A 60 -15.060 -16.315 7.469 1.00 34.80 C ATOM 534 CD ARG A 60 -14.112 -17.457 7.138 1.00 40.59 C ATOM 535 NE ARG A 60 -13.242 -17.185 5.994 1.00 45.68 N ATOM 536 CZ ARG A 60 -12.896 -18.085 5.074 1.00 52.91 C ATOM 537 NH1 ARG A 60 -12.095 -17.734 4.076 1.00 50.82 N ATOM 538 NH2 ARG A 60 -13.359 -19.329 5.126 1.00 49.36 N ATOM 539 HE ARG A 60 -12.867 -16.221 5.891 1.00 0.00 H ATOM 540 HH12 ARG A 60 -11.823 -18.434 3.357 1.00 0.00 H ATOM 541 HH11 ARG A 60 -11.739 -16.759 4.013 1.00 0.00 H ATOM 542 HH22 ARG A 60 -13.079 -20.019 4.400 1.00 0.00 H ATOM 543 HH21 ARG A 60 -14.002 -19.613 5.893 1.00 0.00 H ATOM 544 H ARG A 60 -17.576 -13.713 5.019 1.00 0.00 H ATOM 545 N GLY A 61 -16.839 -13.944 8.730 1.00 27.74 N ATOM 546 CA GLY A 61 -16.305 -12.944 9.630 1.00 27.42 C ATOM 547 C GLY A 61 -15.502 -13.605 10.731 1.00 28.37 C ATOM 548 O GLY A 61 -16.010 -14.479 11.441 1.00 28.76 O ATOM 549 H GLY A 61 -17.373 -14.742 9.129 1.00 0.00 H ATOM 550 N SER A 62 -14.244 -13.208 10.876 1.00 28.49 N ATOM 551 CA SER A 62 -13.348 -13.806 11.850 1.00 29.62 C ATOM 552 C SER A 62 -12.934 -12.768 12.882 1.00 29.34 C ATOM 553 O SER A 62 -12.823 -11.577 12.579 1.00 28.89 O ATOM 554 CB SER A 62 -12.110 -14.397 11.170 1.00 31.24 C ATOM 555 OG SER A 62 -12.471 -15.486 10.339 1.00 31.84 O ATOM 556 HG SER A 62 -12.903 -16.188 10.887 1.00 0.00 H ATOM 557 H SER A 62 -13.887 -12.441 10.271 1.00 0.00 H ATOM 558 N ALA A 63 -12.710 -13.239 14.106 1.00 29.82 N ATOM 559 CA ALA A 63 -12.316 -12.402 15.227 1.00 29.74 C ATOM 560 C ALA A 63 -10.838 -12.606 15.534 1.00 31.27 C ATOM 561 O ALA A 63 -10.301 -13.706 15.368 1.00 32.50 O ATOM 562 CB ALA A 63 -13.154 -12.723 16.467 1.00 29.29 C ATOM 563 H ALA A 63 -12.823 -14.260 14.269 1.00 0.00 H ATOM 564 N TYR A 64 -10.181 -11.535 15.981 1.00 31.87 N ATOM 565 CA TYR A 64 -8.761 -11.583 16.292 1.00 33.58 C ATOM 566 C TYR A 64 -8.479 -10.807 17.570 1.00 33.65 C ATOM 567 O TYR A 64 -9.304 -10.025 18.052 1.00 32.48 O ATOM 568 CB TYR A 64 -7.921 -11.029 15.139 1.00 34.65 C ATOM 569 CG TYR A 64 -8.014 -11.870 13.895 1.00 34.94 C ATOM 570 CD1 TYR A 64 -7.135 -12.920 13.679 1.00 36.79 C ATOM 571 CD2 TYR A 64 -9.000 -11.634 12.950 1.00 33.58 C ATOM 572 CE1 TYR A 64 -7.224 -13.699 12.545 1.00 37.32 C ATOM 573 CE2 TYR A 64 -9.101 -12.407 11.816 1.00 33.91 C ATOM 574 CZ TYR A 64 -8.211 -13.439 11.617 1.00 35.79 C ATOM 575 OH TYR A 64 -8.309 -14.212 10.484 1.00 36.37 O ATOM 576 HH TYR A 64 -9.197 -14.649 10.460 1.00 0.00 H ATOM 577 H TYR A 64 -10.698 -10.642 16.111 1.00 0.00 H ATOM 578 N GLY A 65 -7.287 -11.039 18.109 1.00 34.93 N ATOM 579 CA GLY A 65 -6.818 -10.282 19.256 1.00 35.36 C ATOM 580 C GLY A 65 -7.816 -10.288 20.391 1.00 33.96 C ATOM 581 O GLY A 65 -8.338 -11.337 20.788 1.00 33.54 O ATOM 582 H GLY A 65 -6.678 -11.777 17.702 1.00 0.00 H ATOM 583 N GLY A 66 -8.098 -9.096 20.921 1.00 33.52 N ATOM 584 CA GLY A 66 -8.900 -8.994 22.127 1.00 32.62 C ATOM 585 C GLY A 66 -10.350 -9.384 21.929 1.00 31.15 C ATOM 586 O GLY A 66 -10.996 -9.874 22.861 1.00 30.73 O ATOM 587 H GLY A 66 -7.740 -8.232 20.466 1.00 0.00 H ATOM 588 N VAL A 67 -10.886 -9.177 20.725 1.00 30.55 N ATOM 589 CA VAL A 67 -12.264 -9.573 20.465 1.00 29.43 C ATOM 590 C VAL A 67 -12.392 -11.087 20.540 1.00 29.61 C ATOM 591 O VAL A 67 -13.367 -11.619 21.084 1.00 29.24 O ATOM 592 CB VAL A 67 -12.726 -9.025 19.103 1.00 28.90 C ATOM 593 CG1 VAL A 67 -14.128 -9.514 18.759 1.00 27.98 C ATOM 594 CG2 VAL A 67 -12.678 -7.509 19.106 1.00 29.10 C ATOM 595 H VAL A 67 -10.321 -8.734 19.973 1.00 0.00 H ATOM 596 N LEU A 68 -11.406 -11.803 19.998 1.00 35.73 N ATOM 597 CA LEU A 68 -11.394 -13.257 20.107 1.00 36.44 C ATOM 598 C LEU A 68 -11.247 -13.713 21.555 1.00 36.97 C ATOM 599 O LEU A 68 -11.873 -14.696 21.969 1.00 37.23 O ATOM 600 CB LEU A 68 -10.269 -13.827 19.244 1.00 37.77 C ATOM 601 CG LEU A 68 -10.143 -15.349 19.224 1.00 39.06 C ATOM 602 CD1 LEU A 68 -11.403 -15.982 18.654 1.00 38.43 C ATOM 603 CD2 LEU A 68 -8.922 -15.758 18.421 1.00 40.82 C ATOM 604 H LEU A 68 -10.637 -11.319 19.492 1.00 0.00 H ATOM 605 N SER A 69 -10.423 -13.018 22.343 1.00 44.46 N ATOM 606 CA SER A 69 -10.140 -13.476 23.700 1.00 45.10 C ATOM 607 C SER A 69 -11.218 -13.051 24.689 1.00 44.13 C ATOM 608 O SER A 69 -11.617 -13.842 25.552 1.00 44.47 O ATOM 609 CB SER A 69 -8.786 -12.944 24.172 1.00 46.12 C ATOM 610 OG SER A 69 -7.751 -13.292 23.270 1.00 50.31 O ATOM 611 HG SER A 69 -7.947 -12.907 22.380 1.00 0.00 H ATOM 612 H SER A 69 -9.981 -12.146 21.988 1.00 0.00 H ATOM 613 N ASN A 70 -11.706 -11.820 24.575 1.00 30.92 N ATOM 614 CA ASN A 70 -12.424 -11.176 25.663 1.00 30.50 C ATOM 615 C ASN A 70 -13.897 -10.926 25.377 1.00 29.71 C ATOM 616 O ASN A 70 -14.585 -10.364 26.234 1.00 29.62 O ATOM 617 CB ASN A 70 -11.742 -9.844 25.997 1.00 30.73 C ATOM 618 CG ASN A 70 -10.290 -10.020 26.397 1.00 31.83 C ATOM 619 OD1 ASN A 70 -9.968 -10.835 27.263 1.00 32.35 O ATOM 620 ND2 ASN A 70 -9.403 -9.269 25.756 1.00 32.45 N ATOM 621 HD22 ASN A 70 -9.720 -8.594 25.032 1.00 0.00 H ATOM 622 HD21 ASN A 70 -8.391 -9.356 25.978 1.00 0.00 H ATOM 623 H ASN A 70 -11.571 -11.303 23.683 1.00 0.00 H ATOM 624 N PHE A 71 -14.409 -11.319 24.212 1.00 29.33 N ATOM 625 CA PHE A 71 -15.758 -10.938 23.822 1.00 28.77 C ATOM 626 C PHE A 71 -16.537 -12.119 23.267 1.00 28.89 C ATOM 627 O PHE A 71 -15.967 -13.078 22.740 1.00 29.29 O ATOM 628 CB PHE A 71 -15.712 -9.801 22.802 1.00 28.28 C ATOM 629 CG PHE A 71 -15.258 -8.502 23.392 1.00 28.54 C ATOM 630 CD1 PHE A 71 -13.909 -8.233 23.549 1.00 29.08 C ATOM 631 CD2 PHE A 71 -16.178 -7.564 23.822 1.00 28.62 C ATOM 632 CE1 PHE A 71 -13.486 -7.042 24.109 1.00 29.65 C ATOM 633 CE2 PHE A 71 -15.762 -6.371 24.380 1.00 29.21 C ATOM 634 CZ PHE A 71 -14.413 -6.109 24.525 1.00 29.72 C ATOM 635 H PHE A 71 -13.837 -11.906 23.572 1.00 0.00 H ATOM 636 N SER A 72 -17.858 -12.027 23.409 1.00 29.95 N ATOM 637 CA SER A 72 -18.810 -12.952 22.809 1.00 30.29 C ATOM 638 C SER A 72 -19.543 -12.196 21.709 1.00 29.65 C ATOM 639 O SER A 72 -20.218 -11.197 21.982 1.00 29.55 O ATOM 640 CB SER A 72 -19.789 -13.484 23.858 1.00 31.26 C ATOM 641 OG SER A 72 -20.681 -14.435 23.304 1.00 32.01 O ATOM 642 HG SER A 72 -20.165 -15.198 22.942 1.00 0.00 H ATOM 643 H SER A 72 -18.233 -11.246 23.984 1.00 0.00 H ATOM 644 N GLY A 73 -19.413 -12.665 20.477 1.00 28.33 N ATOM 645 CA GLY A 73 -19.762 -11.872 19.310 1.00 27.61 C ATOM 646 C GLY A 73 -21.036 -12.343 18.633 1.00 27.89 C ATOM 647 O GLY A 73 -21.254 -13.544 18.453 1.00 28.58 O ATOM 648 H GLY A 73 -19.050 -13.630 20.341 1.00 0.00 H ATOM 649 N THR A 74 -21.858 -11.371 18.252 1.00 32.11 N ATOM 650 CA THR A 74 -23.004 -11.560 17.380 1.00 32.35 C ATOM 651 C THR A 74 -22.874 -10.546 16.256 1.00 31.50 C ATOM 652 O THR A 74 -22.523 -9.389 16.500 1.00 31.25 O ATOM 653 CB THR A 74 -24.329 -11.360 18.143 1.00 33.40 C ATOM 654 OG1 THR A 74 -24.523 -12.440 19.067 1.00 34.47 O ATOM 655 CG2 THR A 74 -25.525 -11.298 17.194 1.00 33.82 C ATOM 656 HG1 THR A 74 -25.375 -12.307 19.554 1.00 0.00 H ATOM 657 H THR A 74 -21.668 -10.410 18.602 1.00 0.00 H ATOM 658 N VAL A 75 -23.153 -10.970 15.027 1.00 26.78 N ATOM 659 CA VAL A 75 -23.141 -10.072 13.879 1.00 26.11 C ATOM 660 C VAL A 75 -24.559 -9.951 13.352 1.00 26.57 C ATOM 661 O VAL A 75 -25.263 -10.954 13.187 1.00 27.19 O ATOM 662 CB VAL A 75 -22.178 -10.544 12.774 1.00 25.53 C ATOM 663 CG1 VAL A 75 -22.487 -11.967 12.342 1.00 26.00 C ATOM 664 CG2 VAL A 75 -22.233 -9.585 11.582 1.00 24.99 C ATOM 665 H VAL A 75 -23.387 -11.973 14.880 1.00 0.00 H ATOM 666 N LYS A 76 -24.974 -8.719 13.102 1.00 32.59 N ATOM 667 CA LYS A 76 -26.285 -8.404 12.560 1.00 33.24 C ATOM 668 C LYS A 76 -26.089 -8.011 11.103 1.00 32.49 C ATOM 669 O LYS A 76 -25.434 -7.004 10.817 1.00 32.10 O ATOM 670 CB LYS A 76 -26.917 -7.275 13.375 1.00 34.23 C ATOM 671 CG LYS A 76 -28.428 -7.213 13.372 1.00 39.51 C ATOM 672 CD LYS A 76 -28.896 -6.291 14.492 1.00 44.43 C ATOM 673 CE LYS A 76 -30.271 -5.703 14.232 1.00 50.86 C ATOM 674 NZ LYS A 76 -30.905 -5.212 15.490 1.00 56.35 N ATOM 675 HZ1 LYS A 76 -31.006 -6.003 16.157 1.00 0.00 H ATOM 676 HZ2 LYS A 76 -30.307 -4.474 15.913 1.00 0.00 H ATOM 677 HZ3 LYS A 76 -31.842 -4.817 15.273 1.00 0.00 H ATOM 678 H LYS A 76 -24.325 -7.932 13.305 1.00 0.00 H ATOM 679 N TYR A 77 -26.646 -8.802 10.187 1.00 27.49 N ATOM 680 CA TYR A 77 -26.475 -8.571 8.754 1.00 26.79 C ATOM 681 C TYR A 77 -27.838 -8.344 8.118 1.00 27.51 C ATOM 682 O TYR A 77 -28.644 -9.275 8.009 1.00 28.20 O ATOM 683 CB TYR A 77 -25.759 -9.736 8.074 1.00 26.24 C ATOM 684 CG TYR A 77 -25.445 -9.433 6.629 1.00 25.56 C ATOM 685 CD1 TYR A 77 -24.603 -8.383 6.296 1.00 25.05 C ATOM 686 CD2 TYR A 77 -26.002 -10.179 5.598 1.00 25.65 C ATOM 687 CE1 TYR A 77 -24.317 -8.089 4.981 1.00 24.62 C ATOM 688 CE2 TYR A 77 -25.720 -9.893 4.271 1.00 25.06 C ATOM 689 CZ TYR A 77 -24.874 -8.846 3.972 1.00 24.53 C ATOM 690 OH TYR A 77 -24.579 -8.544 2.663 1.00 24.13 O ATOM 691 HH TYR A 77 -24.149 -9.326 2.234 1.00 0.00 H ATOM 692 H TYR A 77 -27.221 -9.610 10.502 1.00 0.00 H ATOM 693 N SER A 78 -28.079 -7.111 7.681 1.00 37.17 N ATOM 694 CA SER A 78 -29.340 -6.740 7.046 1.00 38.91 C ATOM 695 C SER A 78 -30.531 -7.138 7.915 1.00 40.94 C ATOM 696 O SER A 78 -31.542 -7.653 7.431 1.00 42.99 O ATOM 697 CB SER A 78 -29.446 -7.363 5.653 1.00 39.13 C ATOM 698 OG SER A 78 -30.591 -6.889 4.968 1.00 43.72 O ATOM 699 HG SER A 78 -31.403 -7.124 5.483 1.00 0.00 H ATOM 700 H SER A 78 -27.343 -6.385 7.796 1.00 0.00 H ATOM 701 N GLY A 79 -30.410 -6.899 9.218 1.00 38.58 N ATOM 702 CA GLY A 79 -31.519 -7.043 10.134 1.00 40.63 C ATOM 703 C GLY A 79 -31.580 -8.361 10.876 1.00 41.32 C ATOM 704 O GLY A 79 -32.347 -8.468 11.841 1.00 43.07 O ATOM 705 H GLY A 79 -29.487 -6.598 9.590 1.00 0.00 H ATOM 706 N SER A 80 -30.805 -9.360 10.463 1.00 34.37 N ATOM 707 CA SER A 80 -30.799 -10.661 11.112 1.00 34.82 C ATOM 708 C SER A 80 -29.480 -10.857 11.847 1.00 33.45 C ATOM 709 O SER A 80 -28.435 -10.349 11.433 1.00 31.95 O ATOM 710 CB SER A 80 -31.009 -11.792 10.102 1.00 34.95 C ATOM 711 OG SER A 80 -32.365 -11.869 9.695 1.00 36.88 O ATOM 712 HG SER A 80 -32.471 -12.607 9.044 1.00 0.00 H ATOM 713 H SER A 80 -30.181 -9.205 9.646 1.00 0.00 H ATOM 714 N SER A 81 -29.537 -11.607 12.939 1.00 34.22 N ATOM 715 CA SER A 81 -28.392 -11.803 13.813 1.00 33.32 C ATOM 716 C SER A 81 -27.847 -13.214 13.647 1.00 32.88 C ATOM 717 O SER A 81 -28.611 -14.176 13.535 1.00 34.08 O ATOM 718 CB SER A 81 -28.783 -11.554 15.271 1.00 34.72 C ATOM 719 OG SER A 81 -29.232 -10.220 15.443 1.00 35.44 O ATOM 720 HG SER A 81 -29.481 -10.076 16.390 1.00 0.00 H ATOM 721 H SER A 81 -30.435 -12.073 13.179 1.00 0.00 H ATOM 722 N TYR A 82 -26.526 -13.328 13.644 1.00 33.68 N ATOM 723 CA TYR A 82 -25.846 -14.606 13.513 1.00 33.22 C ATOM 724 C TYR A 82 -24.632 -14.607 14.427 1.00 31.68 C ATOM 725 O TYR A 82 -24.105 -13.543 14.769 1.00 30.72 O ATOM 726 CB TYR A 82 -25.409 -14.875 12.066 1.00 32.49 C ATOM 727 CG TYR A 82 -26.486 -14.621 11.033 1.00 33.91 C ATOM 728 CD1 TYR A 82 -26.651 -13.366 10.462 1.00 33.42 C ATOM 729 CD2 TYR A 82 -27.335 -15.641 10.625 1.00 36.03 C ATOM 730 CE1 TYR A 82 -27.635 -13.135 9.517 1.00 34.86 C ATOM 731 CE2 TYR A 82 -28.321 -15.421 9.681 1.00 37.65 C ATOM 732 CZ TYR A 82 -28.467 -14.167 9.130 1.00 37.24 C ATOM 733 OH TYR A 82 -29.449 -13.945 8.190 1.00 38.98 O ATOM 734 HH TYR A 82 -29.418 -12.999 7.899 1.00 0.00 H ATOM 735 H TYR A 82 -25.952 -12.466 13.739 1.00 0.00 H ATOM 736 N PRO A 83 -24.160 -15.786 14.834 1.00 30.85 N ATOM 737 CA PRO A 83 -22.954 -15.840 15.670 1.00 30.40 C ATOM 738 C PRO A 83 -21.770 -15.163 14.997 1.00 29.23 C ATOM 739 O PRO A 83 -21.609 -15.214 13.777 1.00 28.74 O ATOM 740 CB PRO A 83 -22.716 -17.344 15.851 1.00 31.02 C ATOM 741 CG PRO A 83 -24.052 -17.963 15.657 1.00 32.27 C ATOM 742 CD PRO A 83 -24.739 -17.124 14.620 1.00 31.93 C ATOM 743 N PHE A 84 -20.935 -14.530 15.812 1.00 29.09 N ATOM 744 CA PHE A 84 -19.674 -13.972 15.340 1.00 28.45 C ATOM 745 C PHE A 84 -18.553 -14.392 16.291 1.00 28.79 C ATOM 746 O PHE A 84 -18.620 -14.093 17.480 1.00 29.37 O ATOM 747 CB PHE A 84 -19.744 -12.449 15.248 1.00 28.33 C ATOM 748 CG PHE A 84 -18.438 -11.814 14.875 1.00 28.11 C ATOM 749 CD1 PHE A 84 -18.083 -11.654 13.545 1.00 27.61 C ATOM 750 CD2 PHE A 84 -17.556 -11.392 15.856 1.00 28.73 C ATOM 751 CE1 PHE A 84 -16.877 -11.077 13.203 1.00 27.78 C ATOM 752 CE2 PHE A 84 -16.351 -10.814 15.522 1.00 28.95 C ATOM 753 CZ PHE A 84 -16.010 -10.659 14.194 1.00 28.51 C ATOM 754 H PHE A 84 -21.188 -14.429 16.816 1.00 0.00 H ATOM 755 N PRO A 85 -17.517 -15.089 15.786 1.00 28.69 N ATOM 756 CA PRO A 85 -17.216 -15.552 14.423 1.00 28.40 C ATOM 757 C PRO A 85 -18.326 -16.362 13.763 1.00 28.49 C ATOM 758 O PRO A 85 -19.108 -17.023 14.442 1.00 29.01 O ATOM 759 CB PRO A 85 -15.973 -16.419 14.624 1.00 28.96 C ATOM 760 CG PRO A 85 -15.291 -15.815 15.787 1.00 29.28 C ATOM 761 CD PRO A 85 -16.383 -15.326 16.698 1.00 29.23 C ATOM 762 N THR A 86 -18.381 -16.298 12.436 1.00 29.62 N ATOM 763 CA THR A 86 -19.508 -16.836 11.691 1.00 29.91 C ATOM 764 C THR A 86 -19.369 -18.337 11.482 1.00 30.89 C ATOM 765 O THR A 86 -18.265 -18.886 11.429 1.00 31.22 O ATOM 766 CB THR A 86 -19.639 -16.146 10.334 1.00 29.50 C ATOM 767 OG1 THR A 86 -18.425 -16.316 9.590 1.00 29.59 O ATOM 768 CG2 THR A 86 -19.930 -14.666 10.510 1.00 28.82 C ATOM 769 HG1 THR A 86 -18.255 -17.282 9.454 1.00 0.00 H ATOM 770 H THR A 86 -17.598 -15.852 11.917 1.00 0.00 H ATOM 771 N THR A 87 -20.519 -18.994 11.371 1.00 30.30 N ATOM 772 CA THR A 87 -20.599 -20.432 11.177 1.00 31.67 C ATOM 773 C THR A 87 -21.270 -20.785 9.859 1.00 32.46 C ATOM 774 O THR A 87 -21.422 -21.973 9.552 1.00 34.00 O ATOM 775 CB THR A 87 -21.360 -21.074 12.344 1.00 32.57 C ATOM 776 OG1 THR A 87 -22.614 -20.403 12.524 1.00 32.56 O ATOM 777 CG2 THR A 87 -20.544 -20.955 13.623 1.00 32.13 C ATOM 778 HG1 THR A 87 -23.104 -20.818 13.277 1.00 0.00 H ATOM 779 H THR A 87 -21.405 -18.452 11.426 1.00 0.00 H ATOM 780 N SER A 88 -21.678 -19.783 9.083 1.00 32.27 N ATOM 781 CA SER A 88 -22.265 -19.978 7.768 1.00 33.04 C ATOM 782 C SER A 88 -22.226 -18.645 7.038 1.00 31.84 C ATOM 783 O SER A 88 -22.130 -17.580 7.656 1.00 30.92 O ATOM 784 CB SER A 88 -23.703 -20.500 7.854 1.00 35.12 C ATOM 785 OG SER A 88 -24.575 -19.500 8.355 1.00 35.50 O ATOM 786 HG SER A 88 -24.279 -19.229 9.260 1.00 0.00 H ATOM 787 H SER A 88 -21.571 -18.811 9.436 1.00 0.00 H ATOM 788 N GLU A 89 -22.291 -18.720 5.713 1.00 31.78 N ATOM 789 CA GLU A 89 -22.474 -17.527 4.900 1.00 30.94 C ATOM 790 C GLU A 89 -23.889 -16.989 5.075 1.00 31.02 C ATOM 791 O GLU A 89 -24.845 -17.752 5.236 1.00 32.31 O ATOM 792 CB GLU A 89 -22.197 -17.857 3.435 1.00 31.82 C ATOM 793 CG GLU A 89 -22.524 -16.757 2.451 1.00 31.30 C ATOM 794 CD GLU A 89 -21.964 -17.037 1.075 1.00 33.12 C ATOM 795 OE1 GLU A 89 -21.905 -18.222 0.690 1.00 33.81 O ATOM 796 OE2 GLU A 89 -21.583 -16.075 0.379 1.00 31.63 O ATOM 797 H GLU A 89 -22.210 -19.647 5.249 1.00 0.00 H ATOM 798 N THR A 90 -24.022 -15.668 5.057 1.00 29.93 N ATOM 799 CA THR A 90 -25.320 -15.036 5.240 1.00 30.19 C ATOM 800 C THR A 90 -26.131 -15.111 3.954 1.00 31.15 C ATOM 801 O THR A 90 -25.620 -15.481 2.895 1.00 31.44 O ATOM 802 CB THR A 90 -25.138 -13.579 5.665 1.00 29.04 C ATOM 803 OG1 THR A 90 -24.536 -12.836 4.598 1.00 28.43 O ATOM 804 CG2 THR A 90 -24.263 -13.476 6.904 1.00 28.35 C ATOM 805 HG1 THR A 90 -25.120 -12.875 3.800 1.00 0.00 H ATOM 806 H THR A 90 -23.182 -15.073 4.909 1.00 0.00 H ATOM 807 N PRO A 91 -27.412 -14.757 4.010 1.00 31.92 N ATOM 808 CA PRO A 91 -28.174 -14.572 2.772 1.00 32.82 C ATOM 809 C PRO A 91 -27.676 -13.360 2.000 1.00 31.62 C ATOM 810 O PRO A 91 -26.974 -12.489 2.521 1.00 30.30 O ATOM 811 CB PRO A 91 -29.615 -14.368 3.256 1.00 34.08 C ATOM 812 CG PRO A 91 -29.644 -14.888 4.654 1.00 34.29 C ATOM 813 CD PRO A 91 -28.268 -14.683 5.206 1.00 32.50 C ATOM 814 N ARG A 92 -28.043 -13.320 0.727 1.00 37.13 N ATOM 815 CA ARG A 92 -27.622 -12.234 -0.141 1.00 36.01 C ATOM 816 C ARG A 92 -28.441 -10.976 0.108 1.00 36.62 C ATOM 817 O ARG A 92 -29.644 -11.034 0.377 1.00 38.73 O ATOM 818 CB ARG A 92 -27.723 -12.667 -1.604 1.00 36.83 C ATOM 819 CG ARG A 92 -26.835 -13.860 -1.922 1.00 36.67 C ATOM 820 CD ARG A 92 -27.160 -14.507 -3.248 1.00 40.03 C ATOM 821 NE ARG A 92 -28.396 -15.272 -3.197 1.00 45.02 N ATOM 822 CZ ARG A 92 -28.917 -15.908 -4.240 1.00 50.99 C ATOM 823 NH1 ARG A 92 -28.306 -15.868 -5.417 1.00 45.70 N ATOM 824 NH2 ARG A 92 -30.050 -16.582 -4.107 1.00 49.55 N ATOM 825 HE ARG A 92 -28.902 -15.324 -2.290 1.00 0.00 H ATOM 826 HH12 ARG A 92 -28.715 -16.367 -6.233 1.00 0.00 H ATOM 827 HH11 ARG A 92 -27.418 -15.338 -5.524 1.00 0.00 H ATOM 828 HH22 ARG A 92 -30.458 -17.080 -4.924 1.00 0.00 H ATOM 829 HH21 ARG A 92 -30.532 -16.613 -3.186 1.00 0.00 H ATOM 830 H ARG A 92 -28.642 -14.079 0.343 1.00 0.00 H ATOM 831 N VAL A 93 -27.764 -9.838 0.027 1.00 30.22 N ATOM 832 CA VAL A 93 -28.397 -8.529 -0.036 1.00 30.26 C ATOM 833 C VAL A 93 -28.304 -8.051 -1.475 1.00 30.45 C ATOM 834 O VAL A 93 -27.242 -8.154 -2.103 1.00 29.96 O ATOM 835 CB VAL A 93 -27.720 -7.533 0.923 1.00 29.28 C ATOM 836 CG1 VAL A 93 -28.171 -6.101 0.636 1.00 29.53 C ATOM 837 CG2 VAL A 93 -28.016 -7.903 2.370 1.00 29.41 C ATOM 838 H VAL A 93 -26.725 -9.884 0.007 1.00 0.00 H ATOM 839 N VAL A 94 -29.406 -7.533 -2.002 1.00 31.40 N ATOM 840 CA VAL A 94 -29.433 -7.084 -3.387 1.00 31.79 C ATOM 841 C VAL A 94 -28.886 -5.668 -3.464 1.00 31.05 C ATOM 842 O VAL A 94 -29.329 -4.773 -2.734 1.00 31.08 O ATOM 843 CB VAL A 94 -30.858 -7.162 -3.958 1.00 33.41 C ATOM 844 CG1 VAL A 94 -30.927 -6.473 -5.317 1.00 33.86 C ATOM 845 CG2 VAL A 94 -31.291 -8.611 -4.085 1.00 34.60 C ATOM 846 H VAL A 94 -30.262 -7.446 -1.418 1.00 0.00 H ATOM 847 N TYR A 95 -27.923 -5.464 -4.355 1.00 37.65 N ATOM 848 CA TYR A 95 -27.450 -4.138 -4.726 1.00 37.18 C ATOM 849 C TYR A 95 -27.882 -3.897 -6.164 1.00 38.04 C ATOM 850 O TYR A 95 -27.361 -4.529 -7.089 1.00 37.90 O ATOM 851 CB TYR A 95 -25.936 -4.030 -4.569 1.00 35.84 C ATOM 852 CG TYR A 95 -25.510 -3.798 -3.141 1.00 35.22 C ATOM 853 CD1 TYR A 95 -25.555 -4.826 -2.211 1.00 34.84 C ATOM 854 CD2 TYR A 95 -25.067 -2.552 -2.721 1.00 35.24 C ATOM 855 CE1 TYR A 95 -25.170 -4.621 -0.903 1.00 34.35 C ATOM 856 CE2 TYR A 95 -24.678 -2.336 -1.415 1.00 34.96 C ATOM 857 CZ TYR A 95 -24.732 -3.374 -0.511 1.00 34.79 C ATOM 858 OH TYR A 95 -24.347 -3.167 0.790 1.00 35.14 O ATOM 859 HH TYR A 95 -24.917 -2.465 1.194 1.00 0.00 H ATOM 860 H TYR A 95 -27.486 -6.291 -4.810 1.00 0.00 H ATOM 861 N ASN A 96 -28.835 -2.987 -6.348 1.00 28.77 N ATOM 862 CA ASN A 96 -29.436 -2.756 -7.653 1.00 29.00 C ATOM 863 C ASN A 96 -29.427 -1.276 -8.009 1.00 29.27 C ATOM 864 O ASN A 96 -30.265 -0.817 -8.786 1.00 29.75 O ATOM 865 CB ASN A 96 -30.859 -3.316 -7.697 1.00 29.68 C ATOM 866 CG ASN A 96 -31.713 -2.843 -6.538 1.00 30.37 C ATOM 867 OD1 ASN A 96 -31.373 -1.878 -5.855 1.00 30.40 O ATOM 868 ND2 ASN A 96 -32.826 -3.531 -6.305 1.00 31.08 N ATOM 869 HD22 ASN A 96 -33.073 -4.340 -6.909 1.00 0.00 H ATOM 870 HD21 ASN A 96 -33.450 -3.260 -5.518 1.00 0.00 H ATOM 871 H ASN A 96 -29.160 -2.425 -5.536 1.00 0.00 H ATOM 872 N SER A 97 -28.472 -0.521 -7.470 1.00 29.10 N ATOM 873 CA SER A 97 -28.401 0.906 -7.738 1.00 29.59 C ATOM 874 C SER A 97 -26.947 1.343 -7.819 1.00 29.28 C ATOM 875 O SER A 97 -26.079 0.819 -7.116 1.00 28.86 O ATOM 876 CB SER A 97 -29.133 1.722 -6.667 1.00 30.38 C ATOM 877 OG SER A 97 -29.032 3.109 -6.932 1.00 31.06 O ATOM 878 HG SER A 97 -29.436 3.306 -7.814 1.00 0.00 H ATOM 879 H SER A 97 -27.765 -0.960 -6.846 1.00 0.00 H ATOM 880 N ARG A 98 -26.700 2.320 -8.690 1.00 29.64 N ATOM 881 CA ARG A 98 -25.392 2.941 -8.839 1.00 29.69 C ATOM 882 C ARG A 98 -25.068 3.898 -7.695 1.00 30.31 C ATOM 883 O ARG A 98 -23.910 4.307 -7.554 1.00 30.47 O ATOM 884 CB ARG A 98 -25.347 3.670 -10.190 1.00 30.06 C ATOM 885 CG ARG A 98 -23.962 4.021 -10.702 1.00 30.14 C ATOM 886 CD ARG A 98 -24.030 4.587 -12.117 1.00 30.49 C ATOM 887 NE ARG A 98 -23.951 3.554 -13.153 1.00 29.83 N ATOM 888 CZ ARG A 98 -24.970 3.122 -13.896 1.00 29.64 C ATOM 889 NH1 ARG A 98 -26.195 3.609 -13.738 1.00 30.06 N ATOM 890 NH2 ARG A 98 -24.758 2.187 -14.813 1.00 29.17 N ATOM 891 HE ARG A 98 -23.021 3.121 -13.323 1.00 0.00 H ATOM 892 HH12 ARG A 98 -26.975 3.257 -14.329 1.00 0.00 H ATOM 893 HH11 ARG A 98 -26.375 4.343 -13.023 1.00 0.00 H ATOM 894 HH22 ARG A 98 -25.547 1.844 -15.398 1.00 0.00 H ATOM 895 HH21 ARG A 98 -23.803 1.797 -14.947 1.00 0.00 H ATOM 896 H ARG A 98 -27.479 2.655 -9.292 1.00 0.00 H ATOM 897 N THR A 99 -26.059 4.261 -6.886 1.00 30.81 N ATOM 898 CA THR A 99 -25.821 5.048 -5.684 1.00 31.45 C ATOM 899 C THR A 99 -25.210 4.177 -4.593 1.00 30.80 C ATOM 900 O THR A 99 -25.611 3.027 -4.399 1.00 30.14 O ATOM 901 CB THR A 99 -27.128 5.666 -5.182 1.00 32.36 C ATOM 902 OG1 THR A 99 -27.746 6.408 -6.241 1.00 33.04 O ATOM 903 CG2 THR A 99 -26.876 6.589 -3.992 1.00 33.24 C ATOM 904 HG1 THR A 99 -27.938 5.801 -6.999 1.00 0.00 H ATOM 905 H THR A 99 -27.031 3.975 -7.118 1.00 0.00 H ATOM 906 N ASP A 100 -24.239 4.739 -3.877 1.00 34.67 N ATOM 907 CA ASP A 100 -23.623 4.032 -2.760 1.00 34.20 C ATOM 908 C ASP A 100 -24.669 3.638 -1.725 1.00 34.20 C ATOM 909 O ASP A 100 -25.498 4.455 -1.315 1.00 35.04 O ATOM 910 CB ASP A 100 -22.556 4.906 -2.103 1.00 34.86 C ATOM 911 CG ASP A 100 -21.327 5.082 -2.970 1.00 34.93 C ATOM 912 OD1 ASP A 100 -20.858 4.081 -3.550 1.00 34.17 O ATOM 913 OD2 ASP A 100 -20.823 6.223 -3.061 1.00 35.93 O ATOM 914 H ASP A 100 -23.914 5.697 -4.118 1.00 0.00 H ATOM 915 N LYS A 101 -24.632 2.377 -1.310 1.00 36.30 N ATOM 916 CA LYS A 101 -25.492 1.888 -0.255 1.00 36.36 C ATOM 917 C LYS A 101 -24.625 1.307 0.853 1.00 35.98 C ATOM 918 O LYS A 101 -23.698 0.538 0.558 1.00 35.38 O ATOM 919 CB LYS A 101 -26.461 0.812 -0.774 1.00 36.01 C ATOM 920 CG LYS A 101 -27.135 0.028 0.343 1.00 36.33 C ATOM 921 CD LYS A 101 -28.431 -0.639 -0.100 1.00 38.10 C ATOM 922 CE LYS A 101 -28.212 -2.014 -0.708 1.00 36.76 C ATOM 923 NZ LYS A 101 -29.500 -2.761 -0.755 1.00 38.01 N ATOM 924 HZ1 LYS A 101 -29.873 -2.868 0.210 1.00 0.00 H ATOM 925 HZ2 LYS A 101 -30.184 -2.234 -1.335 1.00 0.00 H ATOM 926 HZ3 LYS A 101 -29.340 -3.700 -1.172 1.00 0.00 H ATOM 927 H LYS A 101 -23.963 1.719 -1.758 1.00 0.00 H ATOM 928 N PRO A 102 -24.873 1.639 2.120 1.00 30.02 N ATOM 929 CA PRO A 102 -24.084 1.032 3.195 1.00 29.68 C ATOM 930 C PRO A 102 -24.101 -0.485 3.113 1.00 28.95 C ATOM 931 O PRO A 102 -25.122 -1.102 2.802 1.00 28.91 O ATOM 932 CB PRO A 102 -24.778 1.532 4.466 1.00 30.35 C ATOM 933 CG PRO A 102 -25.378 2.814 4.081 1.00 31.26 C ATOM 934 CD PRO A 102 -25.806 2.655 2.645 1.00 31.01 C ATOM 935 N TRP A 103 -22.960 -1.083 3.407 1.00 28.55 N ATOM 936 CA TRP A 103 -22.923 -2.514 3.647 1.00 28.11 C ATOM 937 C TRP A 103 -23.459 -2.754 5.055 1.00 28.32 C ATOM 938 O TRP A 103 -22.815 -2.368 6.040 1.00 28.47 O ATOM 939 CB TRP A 103 -21.505 -3.056 3.488 1.00 27.83 C ATOM 940 CG TRP A 103 -21.440 -4.542 3.460 1.00 27.57 C ATOM 941 CD1 TRP A 103 -22.335 -5.397 2.884 1.00 27.50 C ATOM 942 CD2 TRP A 103 -20.426 -5.358 4.047 1.00 27.54 C ATOM 943 NE1 TRP A 103 -21.935 -6.698 3.070 1.00 27.48 N ATOM 944 CE2 TRP A 103 -20.764 -6.701 3.782 1.00 27.50 C ATOM 945 CE3 TRP A 103 -19.258 -5.083 4.764 1.00 27.70 C ATOM 946 CZ2 TRP A 103 -19.977 -7.766 4.212 1.00 27.64 C ATOM 947 CZ3 TRP A 103 -18.479 -6.139 5.187 1.00 27.78 C ATOM 948 CH2 TRP A 103 -18.841 -7.466 4.911 1.00 27.76 C ATOM 949 HE1 TRP A 103 -22.438 -7.541 2.727 1.00 0.00 H ATOM 950 H TRP A 103 -22.084 -0.526 3.467 1.00 0.00 H ATOM 951 N PRO A 104 -24.705 -3.414 5.204 1.00 28.48 N ATOM 952 CA PRO A 104 -25.378 -3.495 6.523 1.00 28.89 C ATOM 953 C PRO A 104 -24.752 -4.515 7.468 1.00 28.66 C ATOM 954 O PRO A 104 -25.343 -5.538 7.829 1.00 28.81 O ATOM 955 CB PRO A 104 -26.815 -3.856 6.131 1.00 29.32 C ATOM 956 CG PRO A 104 -26.676 -4.614 4.852 1.00 28.92 C ATOM 957 CD PRO A 104 -25.529 -3.985 4.123 1.00 28.46 C ATOM 958 N VAL A 105 -23.518 -4.240 7.890 1.00 28.44 N ATOM 959 CA VAL A 105 -22.789 -5.086 8.830 1.00 28.32 C ATOM 960 C VAL A 105 -22.591 -4.324 10.137 1.00 28.62 C ATOM 961 O VAL A 105 -22.042 -3.215 10.145 1.00 28.79 O ATOM 962 CB VAL A 105 -21.446 -5.545 8.245 1.00 28.00 C ATOM 963 CG1 VAL A 105 -20.621 -6.266 9.290 1.00 28.04 C ATOM 964 CG2 VAL A 105 -21.685 -6.468 7.068 1.00 27.83 C ATOM 965 H VAL A 105 -23.052 -3.382 7.532 1.00 0.00 H ATOM 966 N ALA A 106 -23.034 -4.926 11.240 1.00 34.97 N ATOM 967 CA ALA A 106 -22.752 -4.428 12.579 1.00 35.27 C ATOM 968 C ALA A 106 -22.357 -5.595 13.472 1.00 35.18 C ATOM 969 O ALA A 106 -22.996 -6.651 13.442 1.00 35.23 O ATOM 970 CB ALA A 106 -23.960 -3.696 13.177 1.00 35.91 C ATOM 971 H ALA A 106 -23.606 -5.789 11.140 1.00 0.00 H ATOM 972 N LEU A 107 -21.299 -5.406 14.259 1.00 29.02 N ATOM 973 CA LEU A 107 -20.873 -6.387 15.249 1.00 29.05 C ATOM 974 C LEU A 107 -21.359 -5.981 16.634 1.00 29.46 C ATOM 975 O LEU A 107 -21.275 -4.810 17.013 1.00 29.74 O ATOM 976 CB LEU A 107 -19.350 -6.525 15.274 1.00 28.93 C ATOM 977 CG LEU A 107 -18.614 -6.865 13.979 1.00 28.71 C ATOM 978 CD1 LEU A 107 -17.123 -6.893 14.261 1.00 28.90 C ATOM 979 CD2 LEU A 107 -19.073 -8.191 13.392 1.00 28.62 C ATOM 980 H LEU A 107 -20.756 -4.524 14.163 1.00 0.00 H ATOM 981 N TYR A 108 -21.859 -6.957 17.389 1.00 29.65 N ATOM 982 CA TYR A 108 -22.269 -6.755 18.777 1.00 30.11 C ATOM 983 C TYR A 108 -21.401 -7.647 19.650 1.00 30.07 C ATOM 984 O TYR A 108 -21.513 -8.876 19.599 1.00 30.11 O ATOM 985 CB TYR A 108 -23.752 -7.060 18.968 1.00 30.62 C ATOM 986 CG TYR A 108 -24.635 -6.051 18.283 1.00 30.88 C ATOM 987 CD1 TYR A 108 -24.915 -6.159 16.930 1.00 30.61 C ATOM 988 CD2 TYR A 108 -25.169 -4.978 18.981 1.00 31.51 C ATOM 989 CE1 TYR A 108 -25.714 -5.235 16.292 1.00 30.93 C ATOM 990 CE2 TYR A 108 -25.970 -4.046 18.353 1.00 31.94 C ATOM 991 CZ TYR A 108 -26.240 -4.180 17.006 1.00 31.63 C ATOM 992 OH TYR A 108 -27.037 -3.261 16.365 1.00 32.14 O ATOM 993 HH TYR A 108 -27.124 -3.510 15.411 1.00 0.00 H ATOM 994 H TYR A 108 -21.962 -7.904 16.973 1.00 0.00 H ATOM 995 N LEU A 109 -20.537 -7.026 20.447 1.00 30.14 N ATOM 996 CA LEU A 109 -19.528 -7.734 21.221 1.00 30.16 C ATOM 997 C LEU A 109 -19.743 -7.426 22.694 1.00 30.58 C ATOM 998 O LEU A 109 -19.735 -6.257 23.094 1.00 30.83 O ATOM 999 CB LEU A 109 -18.125 -7.324 20.771 1.00 30.01 C ATOM 1000 CG LEU A 109 -17.945 -7.279 19.249 1.00 29.68 C ATOM 1001 CD1 LEU A 109 -16.619 -6.641 18.875 1.00 29.78 C ATOM 1002 CD2 LEU A 109 -18.066 -8.673 18.647 1.00 29.56 C ATOM 1003 H LEU A 109 -20.584 -5.990 20.521 1.00 0.00 H ATOM 1004 N THR A 110 -19.937 -8.471 23.496 1.00 30.79 N ATOM 1005 CA THR A 110 -20.150 -8.301 24.921 1.00 31.23 C ATOM 1006 C THR A 110 -19.058 -9.034 25.695 1.00 31.29 C ATOM 1007 O THR A 110 -18.704 -10.161 25.336 1.00 31.23 O ATOM 1008 CB THR A 110 -21.541 -8.816 25.340 1.00 31.69 C ATOM 1009 OG1 THR A 110 -21.859 -8.329 26.649 1.00 32.21 O ATOM 1010 CG2 THR A 110 -21.614 -10.338 25.332 1.00 31.83 C ATOM 1011 HG1 THR A 110 -21.863 -7.339 26.640 1.00 0.00 H ATOM 1012 H THR A 110 -19.936 -9.429 23.092 1.00 0.00 H ATOM 1013 N PRO A 111 -18.488 -8.425 26.736 1.00 31.53 N ATOM 1014 CA PRO A 111 -17.332 -9.044 27.395 1.00 31.66 C ATOM 1015 C PRO A 111 -17.675 -10.377 28.046 1.00 31.93 C ATOM 1016 O PRO A 111 -18.780 -10.585 28.551 1.00 32.20 O ATOM 1017 CB PRO A 111 -16.923 -8.004 28.445 1.00 31.99 C ATOM 1018 CG PRO A 111 -17.530 -6.728 27.979 1.00 32.02 C ATOM 1019 CD PRO A 111 -18.814 -7.121 27.337 1.00 31.85 C ATOM 1020 N VAL A 112 -16.698 -11.286 28.031 1.00 32.04 N ATOM 1021 CA VAL A 112 -16.825 -12.548 28.752 1.00 32.50 C ATOM 1022 C VAL A 112 -16.471 -12.342 30.223 1.00 32.85 C ATOM 1023 O VAL A 112 -15.843 -11.354 30.610 1.00 32.78 O ATOM 1024 CB VAL A 112 -15.950 -13.643 28.111 1.00 32.71 C ATOM 1025 CG1 VAL A 112 -16.398 -13.909 26.678 1.00 32.45 C ATOM 1026 CG2 VAL A 112 -14.474 -13.258 28.152 1.00 32.77 C ATOM 1027 H VAL A 112 -15.829 -11.091 27.495 1.00 0.00 H ATOM 1028 N SER A 113 -16.887 -13.303 31.055 1.00 33.34 N ATOM 1029 CA SER A 113 -16.657 -13.199 32.495 1.00 33.73 C ATOM 1030 C SER A 113 -15.190 -12.932 32.817 1.00 33.78 C ATOM 1031 O SER A 113 -14.877 -12.173 33.741 1.00 33.91 O ATOM 1032 CB SER A 113 -17.122 -14.478 33.197 1.00 34.38 C ATOM 1033 OG SER A 113 -18.498 -14.723 32.972 1.00 34.57 O ATOM 1034 HG SER A 113 -18.765 -15.555 33.438 1.00 0.00 H ATOM 1035 H SER A 113 -17.380 -14.135 30.673 1.00 0.00 H ATOM 1036 N SER A 114 -14.275 -13.550 32.070 1.00 33.85 N ATOM 1037 CA SER A 114 -12.852 -13.400 32.348 1.00 34.16 C ATOM 1038 C SER A 114 -12.288 -12.059 31.897 1.00 33.87 C ATOM 1039 O SER A 114 -11.185 -11.699 32.320 1.00 34.28 O ATOM 1040 CB SER A 114 -12.063 -14.530 31.677 1.00 34.59 C ATOM 1041 OG SER A 114 -12.299 -14.565 30.280 1.00 34.23 O ATOM 1042 HG SER A 114 -12.021 -13.704 29.878 1.00 0.00 H ATOM 1043 H SER A 114 -14.581 -14.148 31.277 1.00 0.00 H ATOM 1044 N ALA A 115 -13.006 -11.311 31.063 1.00 33.34 N ATOM 1045 CA ALA A 115 -12.480 -10.051 30.558 1.00 33.23 C ATOM 1046 C ALA A 115 -12.378 -9.019 31.676 1.00 33.55 C ATOM 1047 O ALA A 115 -13.230 -8.948 32.567 1.00 33.59 O ATOM 1048 CB ALA A 115 -13.357 -9.517 29.428 1.00 32.68 C ATOM 1049 H ALA A 115 -13.951 -11.629 30.769 1.00 0.00 H ATOM 1050 N GLY A 116 -11.325 -8.211 31.610 1.00 37.47 N ATOM 1051 CA GLY A 116 -11.094 -7.132 32.545 1.00 37.98 C ATOM 1052 C GLY A 116 -9.798 -6.424 32.209 1.00 38.60 C ATOM 1053 O GLY A 116 -8.780 -7.078 31.965 1.00 38.92 O ATOM 1054 H GLY A 116 -10.633 -8.362 30.849 1.00 0.00 H ATOM 1055 N GLY A 117 -9.815 -5.095 32.189 1.00 31.87 N ATOM 1056 CA GLY A 117 -8.617 -4.335 31.889 1.00 32.93 C ATOM 1057 C GLY A 117 -8.588 -3.948 30.426 1.00 31.86 C ATOM 1058 O GLY A 117 -9.644 -3.720 29.831 1.00 30.32 O ATOM 1059 H GLY A 117 -10.702 -4.592 32.392 1.00 0.00 H ATOM 1060 N VAL A 118 -7.401 -3.880 29.826 1.00 32.86 N ATOM 1061 CA VAL A 118 -7.293 -3.551 28.406 1.00 31.92 C ATOM 1062 C VAL A 118 -7.726 -4.793 27.633 1.00 31.16 C ATOM 1063 O VAL A 118 -6.941 -5.720 27.427 1.00 32.29 O ATOM 1064 CB VAL A 118 -5.883 -3.105 28.014 1.00 33.38 C ATOM 1065 CG1 VAL A 118 -5.884 -2.597 26.577 1.00 32.27 C ATOM 1066 CG2 VAL A 118 -5.376 -2.032 28.960 1.00 34.91 C ATOM 1067 H VAL A 118 -6.538 -4.064 30.376 1.00 0.00 H ATOM 1068 N ALA A 119 -8.986 -4.812 27.207 1.00 30.20 N ATOM 1069 CA ALA A 119 -9.537 -5.953 26.495 1.00 29.81 C ATOM 1070 C ALA A 119 -9.342 -5.851 24.991 1.00 29.27 C ATOM 1071 O ALA A 119 -9.335 -6.881 24.310 1.00 29.62 O ATOM 1072 CB ALA A 119 -11.029 -6.094 26.810 1.00 28.90 C ATOM 1073 H ALA A 119 -9.594 -3.988 27.388 1.00 0.00 H ATOM 1074 N ILE A 120 -9.194 -4.639 24.463 1.00 29.15 N ATOM 1075 CA ILE A 120 -8.819 -4.411 23.073 1.00 28.83 C ATOM 1076 C ILE A 120 -7.699 -3.381 23.067 1.00 29.91 C ATOM 1077 O ILE A 120 -7.782 -2.366 23.768 1.00 29.75 O ATOM 1078 CB ILE A 120 -10.010 -3.927 22.223 1.00 27.60 C ATOM 1079 CG1 ILE A 120 -11.151 -4.948 22.279 1.00 27.46 C ATOM 1080 CG2 ILE A 120 -9.574 -3.684 20.781 1.00 27.32 C ATOM 1081 CD1 ILE A 120 -12.455 -4.454 21.691 1.00 27.47 C ATOM 1082 H ILE A 120 -9.354 -3.812 25.073 1.00 0.00 H ATOM 1083 N LYS A 121 -6.656 -3.641 22.284 1.00 28.88 N ATOM 1084 CA LYS A 121 -5.491 -2.771 22.226 1.00 29.83 C ATOM 1085 C LYS A 121 -5.551 -1.882 20.990 1.00 28.98 C ATOM 1086 O LYS A 121 -5.909 -2.336 19.898 1.00 28.10 O ATOM 1087 CB LYS A 121 -4.201 -3.590 22.216 1.00 31.46 C ATOM 1088 CG LYS A 121 -3.873 -4.229 23.551 1.00 33.00 C ATOM 1089 CD LYS A 121 -2.496 -4.863 23.527 1.00 39.48 C ATOM 1090 CE LYS A 121 -2.130 -5.457 24.874 1.00 46.11 C ATOM 1091 NZ LYS A 121 -0.684 -5.273 25.170 1.00 52.33 N ATOM 1092 HZ1 LYS A 121 -0.118 -5.744 24.435 1.00 0.00 H ATOM 1093 HZ2 LYS A 121 -0.461 -4.257 25.184 1.00 0.00 H ATOM 1094 HZ3 LYS A 121 -0.465 -5.690 26.097 1.00 0.00 H ATOM 1095 H LYS A 121 -6.674 -4.496 21.692 1.00 0.00 H ATOM 1096 N ALA A 122 -5.192 -0.613 21.173 1.00 30.50 N ATOM 1097 CA ALA A 122 -5.248 0.350 20.084 1.00 29.82 C ATOM 1098 C ALA A 122 -4.353 -0.088 18.934 1.00 30.54 C ATOM 1099 O ALA A 122 -3.212 -0.511 19.139 1.00 32.41 O ATOM 1100 CB ALA A 122 -4.824 1.732 20.581 1.00 30.71 C ATOM 1101 H ALA A 122 -4.866 -0.305 22.111 1.00 0.00 H ATOM 1102 N GLY A 123 -4.881 0.020 17.716 1.00 31.93 N ATOM 1103 CA GLY A 123 -4.151 -0.369 16.531 1.00 32.41 C ATOM 1104 C GLY A 123 -4.159 -1.849 16.220 1.00 32.77 C ATOM 1105 O GLY A 123 -3.556 -2.253 15.217 1.00 33.36 O ATOM 1106 H GLY A 123 -5.846 0.395 17.615 1.00 0.00 H ATOM 1107 N SER A 124 -4.810 -2.671 17.035 1.00 27.76 N ATOM 1108 CA SER A 124 -4.804 -4.109 16.821 1.00 28.18 C ATOM 1109 C SER A 124 -5.896 -4.512 15.839 1.00 27.22 C ATOM 1110 O SER A 124 -6.929 -3.848 15.715 1.00 26.26 O ATOM 1111 CB SER A 124 -4.998 -4.863 18.140 1.00 28.94 C ATOM 1112 OG SER A 124 -6.281 -4.625 18.693 1.00 27.96 O ATOM 1113 HG SER A 124 -6.390 -3.656 18.867 1.00 0.00 H ATOM 1114 H SER A 124 -5.335 -2.278 17.843 1.00 0.00 H ATOM 1115 N LEU A 125 -5.649 -5.617 15.140 1.00 29.65 N ATOM 1116 CA LEU A 125 -6.654 -6.225 14.279 1.00 29.17 C ATOM 1117 C LEU A 125 -7.716 -6.903 15.135 1.00 28.91 C ATOM 1118 O LEU A 125 -7.407 -7.818 15.906 1.00 29.66 O ATOM 1119 CB LEU A 125 -5.993 -7.236 13.346 1.00 30.05 C ATOM 1120 CG LEU A 125 -6.911 -8.057 12.440 1.00 29.83 C ATOM 1121 CD1 LEU A 125 -7.478 -7.190 11.325 1.00 29.01 C ATOM 1122 CD2 LEU A 125 -6.166 -9.262 11.885 1.00 31.12 C ATOM 1123 H LEU A 125 -4.711 -6.060 15.211 1.00 0.00 H ATOM 1124 N ILE A 126 -8.966 -6.464 15.002 1.00 28.10 N ATOM 1125 CA ILE A 126 -10.061 -7.040 15.771 1.00 28.10 C ATOM 1126 C ILE A 126 -10.968 -7.937 14.938 1.00 28.17 C ATOM 1127 O ILE A 126 -11.632 -8.814 15.513 1.00 28.69 O ATOM 1128 CB ILE A 126 -10.898 -5.947 16.466 1.00 27.55 C ATOM 1129 CG1 ILE A 126 -11.499 -4.975 15.445 1.00 26.91 C ATOM 1130 CG2 ILE A 126 -10.042 -5.209 17.487 1.00 27.70 C ATOM 1131 CD1 ILE A 126 -12.560 -4.057 16.033 1.00 26.70 C ATOM 1132 H ILE A 126 -9.165 -5.692 14.334 1.00 0.00 H ATOM 1133 N ALA A 127 -11.020 -7.763 13.620 1.00 27.83 N ATOM 1134 CA ALA A 127 -11.888 -8.594 12.801 1.00 27.97 C ATOM 1135 C ALA A 127 -11.415 -8.569 11.357 1.00 27.89 C ATOM 1136 O ALA A 127 -10.730 -7.641 10.918 1.00 27.58 O ATOM 1137 CB ALA A 127 -13.346 -8.131 12.889 1.00 27.50 C ATOM 1138 H ALA A 127 -10.436 -7.028 13.173 1.00 0.00 H ATOM 1139 N VAL A 128 -11.791 -9.616 10.629 1.00 28.37 N ATOM 1140 CA VAL A 128 -11.705 -9.653 9.175 1.00 28.31 C ATOM 1141 C VAL A 128 -13.067 -10.076 8.655 1.00 28.20 C ATOM 1142 O VAL A 128 -13.600 -11.111 9.070 1.00 28.91 O ATOM 1143 CB VAL A 128 -10.615 -10.618 8.670 1.00 29.40 C ATOM 1144 CG1 VAL A 128 -10.721 -10.805 7.155 1.00 29.50 C ATOM 1145 CG2 VAL A 128 -9.237 -10.101 9.034 1.00 29.71 C ATOM 1146 H VAL A 128 -12.166 -10.451 11.123 1.00 0.00 H ATOM 1147 N LEU A 129 -13.632 -9.275 7.758 1.00 27.51 N ATOM 1148 CA LEU A 129 -14.946 -9.538 7.193 1.00 27.46 C ATOM 1149 C LEU A 129 -14.804 -9.730 5.693 1.00 27.53 C ATOM 1150 O LEU A 129 -14.207 -8.894 5.008 1.00 27.15 O ATOM 1151 CB LEU A 129 -15.911 -8.394 7.503 1.00 26.82 C ATOM 1152 CG LEU A 129 -15.991 -8.026 8.985 1.00 26.80 C ATOM 1153 CD1 LEU A 129 -16.986 -6.911 9.179 1.00 26.47 C ATOM 1154 CD2 LEU A 129 -16.367 -9.236 9.833 1.00 27.63 C ATOM 1155 H LEU A 129 -13.115 -8.428 7.448 1.00 0.00 H ATOM 1156 N ILE A 130 -15.352 -10.829 5.190 1.00 28.19 N ATOM 1157 CA ILE A 130 -15.256 -11.176 3.779 1.00 28.44 C ATOM 1158 C ILE A 130 -16.617 -10.919 3.153 1.00 28.14 C ATOM 1159 O ILE A 130 -17.592 -11.626 3.437 1.00 28.68 O ATOM 1160 CB ILE A 130 -14.807 -12.627 3.568 1.00 29.70 C ATOM 1161 CG1 ILE A 130 -13.399 -12.820 4.135 1.00 30.22 C ATOM 1162 CG2 ILE A 130 -14.832 -12.977 2.080 1.00 30.06 C ATOM 1163 CD1 ILE A 130 -12.909 -14.255 4.103 1.00 31.81 C ATOM 1164 H ILE A 130 -15.870 -11.467 5.828 1.00 0.00 H ATOM 1165 N LEU A 131 -16.676 -9.905 2.298 1.00 27.51 N ATOM 1166 CA LEU A 131 -17.855 -9.617 1.495 1.00 27.37 C ATOM 1167 C LEU A 131 -17.731 -10.368 0.174 1.00 27.88 C ATOM 1168 O LEU A 131 -16.748 -10.192 -0.555 1.00 27.90 O ATOM 1169 CB LEU A 131 -17.973 -8.111 1.271 1.00 26.69 C ATOM 1170 CG LEU A 131 -19.201 -7.515 0.584 1.00 26.65 C ATOM 1171 CD1 LEU A 131 -19.195 -6.015 0.795 1.00 26.28 C ATOM 1172 CD2 LEU A 131 -19.224 -7.820 -0.906 1.00 26.88 C ATOM 1173 H LEU A 131 -15.843 -9.290 2.198 1.00 0.00 H ATOM 1174 N ARG A 132 -18.719 -11.203 -0.128 1.00 28.46 N ATOM 1175 CA ARG A 132 -18.745 -11.988 -1.357 1.00 29.10 C ATOM 1176 C ARG A 132 -19.786 -11.403 -2.305 1.00 28.85 C ATOM 1177 O ARG A 132 -20.963 -11.296 -1.946 1.00 28.96 O ATOM 1178 CB ARG A 132 -19.057 -13.449 -1.044 1.00 30.30 C ATOM 1179 CG ARG A 132 -19.134 -14.355 -2.253 1.00 31.21 C ATOM 1180 CD ARG A 132 -19.442 -15.769 -1.818 1.00 32.68 C ATOM 1181 NE ARG A 132 -19.360 -16.726 -2.910 1.00 33.83 N ATOM 1182 CZ ARG A 132 -19.640 -18.019 -2.784 1.00 35.47 C ATOM 1183 NH1 ARG A 132 -20.016 -18.511 -1.609 1.00 36.17 N ATOM 1184 NH2 ARG A 132 -19.542 -18.822 -3.834 1.00 36.60 N ATOM 1185 HE ARG A 132 -19.065 -16.378 -3.845 1.00 0.00 H ATOM 1186 HH12 ARG A 132 -20.234 -19.524 -1.515 1.00 0.00 H ATOM 1187 HH11 ARG A 132 -20.092 -17.884 -0.783 1.00 0.00 H ATOM 1188 HH22 ARG A 132 -19.761 -19.834 -3.737 1.00 0.00 H ATOM 1189 HH21 ARG A 132 -19.246 -18.440 -4.755 1.00 0.00 H ATOM 1190 H ARG A 132 -19.509 -11.301 0.541 1.00 0.00 H ATOM 1191 N GLN A 133 -19.358 -11.042 -3.514 1.00 28.73 N ATOM 1192 CA GLN A 133 -20.239 -10.444 -4.512 1.00 28.60 C ATOM 1193 C GLN A 133 -20.419 -11.375 -5.702 1.00 29.36 C ATOM 1194 O GLN A 133 -19.439 -11.882 -6.257 1.00 29.76 O ATOM 1195 CB GLN A 133 -19.700 -9.099 -5.006 1.00 28.02 C ATOM 1196 CG GLN A 133 -20.553 -8.484 -6.123 1.00 28.10 C ATOM 1197 CD GLN A 133 -19.853 -8.469 -7.473 1.00 28.41 C ATOM 1198 OE1 GLN A 133 -18.632 -8.355 -7.548 1.00 28.45 O ATOM 1199 NE2 GLN A 133 -20.625 -8.590 -8.546 1.00 28.78 N ATOM 1200 HE22 GLN A 133 -21.655 -8.684 -8.438 1.00 0.00 H ATOM 1201 HE21 GLN A 133 -20.200 -8.591 -9.495 1.00 0.00 H ATOM 1202 H GLN A 133 -18.358 -11.192 -3.756 1.00 0.00 H ATOM 1203 N THR A 134 -21.677 -11.592 -6.083 1.00 29.74 N ATOM 1204 CA THR A 134 -22.022 -12.279 -7.320 1.00 30.47 C ATOM 1205 C THR A 134 -23.102 -11.472 -8.031 1.00 30.34 C ATOM 1206 O THR A 134 -23.436 -10.365 -7.594 1.00 29.77 O ATOM 1207 CB THR A 134 -22.506 -13.703 -7.048 1.00 31.61 C ATOM 1208 OG1 THR A 134 -23.694 -13.665 -6.248 1.00 31.84 O ATOM 1209 CG2 THR A 134 -21.433 -14.508 -6.325 1.00 32.00 C ATOM 1210 HG1 THR A 134 -23.497 -13.215 -5.388 1.00 0.00 H ATOM 1211 H THR A 134 -22.447 -11.256 -5.470 1.00 0.00 H ATOM 1212 N ASN A 135 -23.658 -12.004 -9.117 1.00 31.04 N ATOM 1213 CA ASN A 135 -24.670 -11.286 -9.878 1.00 31.12 C ATOM 1214 C ASN A 135 -25.543 -12.294 -10.616 1.00 32.21 C ATOM 1215 O ASN A 135 -25.367 -13.509 -10.495 1.00 32.95 O ATOM 1216 CB ASN A 135 -24.026 -10.283 -10.842 1.00 30.65 C ATOM 1217 CG ASN A 135 -23.105 -10.946 -11.849 1.00 31.02 C ATOM 1218 OD1 ASN A 135 -23.376 -12.043 -12.333 1.00 31.82 O ATOM 1219 ND2 ASN A 135 -22.011 -10.271 -12.180 1.00 30.68 N ATOM 1220 HD22 ASN A 135 -21.820 -9.345 -11.746 1.00 0.00 H ATOM 1221 HD21 ASN A 135 -21.345 -10.668 -12.873 1.00 0.00 H ATOM 1222 H ASN A 135 -23.363 -12.952 -9.428 1.00 0.00 H ATOM 1223 N ASN A 136 -26.494 -11.770 -11.390 1.00 32.49 N ATOM 1224 CA ASN A 136 -27.375 -12.580 -12.219 1.00 33.61 C ATOM 1225 C ASN A 136 -27.012 -12.480 -13.696 1.00 33.70 C ATOM 1226 O ASN A 136 -27.845 -12.768 -14.560 1.00 34.53 O ATOM 1227 CB ASN A 136 -28.831 -12.165 -12.002 1.00 34.23 C ATOM 1228 CG ASN A 136 -29.114 -10.761 -12.494 1.00 33.80 C ATOM 1229 OD1 ASN A 136 -28.194 -9.985 -12.748 1.00 32.93 O ATOM 1230 ND2 ASN A 136 -30.389 -10.426 -12.628 1.00 34.67 N ATOM 1231 HD22 ASN A 136 -31.134 -11.115 -12.401 1.00 0.00 H ATOM 1232 HD21 ASN A 136 -30.644 -9.474 -12.960 1.00 0.00 H ATOM 1233 H ASN A 136 -26.612 -10.737 -11.402 1.00 0.00 H ATOM 1234 N TYR A 137 -25.781 -12.077 -13.996 1.00 38.64 N ATOM 1235 CA TYR A 137 -25.336 -11.800 -15.355 1.00 38.79 C ATOM 1236 C TYR A 137 -24.250 -12.747 -15.840 1.00 39.25 C ATOM 1237 O TYR A 137 -24.300 -13.196 -16.987 1.00 40.01 O ATOM 1238 CB TYR A 137 -24.827 -10.352 -15.432 1.00 38.03 C ATOM 1239 CG TYR A 137 -24.530 -9.842 -16.825 1.00 38.38 C ATOM 1240 CD1 TYR A 137 -25.559 -9.508 -17.699 1.00 38.92 C ATOM 1241 CD2 TYR A 137 -23.223 -9.664 -17.257 1.00 38.36 C ATOM 1242 CE1 TYR A 137 -25.292 -9.028 -18.971 1.00 39.36 C ATOM 1243 CE2 TYR A 137 -22.948 -9.185 -18.527 1.00 38.89 C ATOM 1244 CZ TYR A 137 -23.986 -8.869 -19.379 1.00 39.35 C ATOM 1245 OH TYR A 137 -23.719 -8.392 -20.643 1.00 39.99 O ATOM 1246 HH TYR A 137 -24.571 -8.218 -21.116 1.00 0.00 H ATOM 1247 H TYR A 137 -25.100 -11.953 -13.220 1.00 0.00 H ATOM 1248 N ASN A 138 -23.279 -13.076 -14.996 1.00 33.38 N ATOM 1249 CA ASN A 138 -22.166 -13.927 -15.403 1.00 34.08 C ATOM 1250 C ASN A 138 -21.702 -14.740 -14.197 1.00 34.26 C ATOM 1251 O ASN A 138 -22.417 -14.858 -13.195 1.00 34.02 O ATOM 1252 CB ASN A 138 -21.039 -13.067 -16.003 1.00 33.80 C ATOM 1253 CG ASN A 138 -20.537 -12.009 -15.038 1.00 32.76 C ATOM 1254 OD1 ASN A 138 -20.780 -12.084 -13.833 1.00 32.25 O ATOM 1255 ND2 ASN A 138 -19.818 -11.025 -15.560 1.00 32.63 N ATOM 1256 HD22 ASN A 138 -19.637 -11.000 -16.584 1.00 0.00 H ATOM 1257 HD21 ASN A 138 -19.435 -10.278 -14.946 1.00 0.00 H ATOM 1258 H ASN A 138 -23.313 -12.718 -14.020 1.00 0.00 H ATOM 1259 N SER A 139 -20.498 -15.300 -14.296 1.00 39.63 N ATOM 1260 CA SER A 139 -19.921 -16.154 -13.269 1.00 40.14 C ATOM 1261 C SER A 139 -19.090 -15.379 -12.255 1.00 39.15 C ATOM 1262 O SER A 139 -18.355 -15.997 -11.478 1.00 39.66 O ATOM 1263 CB SER A 139 -19.052 -17.234 -13.919 1.00 41.73 C ATOM 1264 OG SER A 139 -19.783 -17.962 -14.891 1.00 44.56 O ATOM 1265 HG SER A 139 -19.198 -18.652 -15.294 1.00 0.00 H ATOM 1266 H SER A 139 -19.940 -15.117 -15.154 1.00 0.00 H ATOM 1267 N ASP A 140 -19.182 -14.050 -12.245 1.00 33.21 N ATOM 1268 CA ASP A 140 -18.380 -13.256 -11.322 1.00 32.40 C ATOM 1269 C ASP A 140 -18.631 -13.690 -9.883 1.00 32.17 C ATOM 1270 O ASP A 140 -19.777 -13.784 -9.435 1.00 31.96 O ATOM 1271 CB ASP A 140 -18.688 -11.767 -11.491 1.00 31.40 C ATOM 1272 CG ASP A 140 -18.082 -11.186 -12.755 1.00 31.77 C ATOM 1273 OD1 ASP A 140 -17.533 -11.959 -13.565 1.00 32.78 O ATOM 1274 OD2 ASP A 140 -18.149 -9.951 -12.937 1.00 31.27 O ATOM 1275 H ASP A 140 -19.832 -13.574 -12.902 1.00 0.00 H ATOM 1276 N ASP A 141 -17.541 -13.940 -9.158 1.00 36.35 N ATOM 1277 CA ASP A 141 -17.591 -14.404 -7.770 1.00 36.32 C ATOM 1278 C ASP A 141 -16.367 -13.809 -7.073 1.00 35.93 C ATOM 1279 O ASP A 141 -15.288 -14.405 -7.069 1.00 36.87 O ATOM 1280 CB ASP A 141 -17.600 -15.924 -7.696 1.00 37.81 C ATOM 1281 CG ASP A 141 -18.005 -16.441 -6.330 1.00 37.98 C ATOM 1282 OD1 ASP A 141 -18.012 -15.646 -5.365 1.00 36.92 O ATOM 1283 OD2 ASP A 141 -18.305 -17.649 -6.220 1.00 40.84 O ATOM 1284 H ASP A 141 -16.610 -13.799 -9.599 1.00 0.00 H ATOM 1285 N PHE A 142 -16.553 -12.636 -6.480 1.00 30.79 N ATOM 1286 CA PHE A 142 -15.445 -11.835 -5.988 1.00 30.43 C ATOM 1287 C PHE A 142 -15.506 -11.693 -4.476 1.00 29.88 C ATOM 1288 O PHE A 142 -16.582 -11.712 -3.870 1.00 29.46 O ATOM 1289 CB PHE A 142 -15.448 -10.442 -6.631 1.00 29.79 C ATOM 1290 CG PHE A 142 -15.325 -10.468 -8.126 1.00 30.41 C ATOM 1291 CD1 PHE A 142 -14.394 -11.288 -8.739 1.00 31.56 C ATOM 1292 CD2 PHE A 142 -16.145 -9.684 -8.918 1.00 30.02 C ATOM 1293 CE1 PHE A 142 -14.276 -11.321 -10.112 1.00 32.27 C ATOM 1294 CE2 PHE A 142 -16.034 -9.713 -10.294 1.00 30.67 C ATOM 1295 CZ PHE A 142 -15.097 -10.533 -10.892 1.00 31.77 C ATOM 1296 H PHE A 142 -17.523 -12.279 -6.364 1.00 0.00 H ATOM 1297 N GLN A 143 -14.329 -11.553 -3.877 1.00 32.59 N ATOM 1298 CA GLN A 143 -14.189 -11.352 -2.443 1.00 32.15 C ATOM 1299 C GLN A 143 -13.594 -9.978 -2.183 1.00 31.48 C ATOM 1300 O GLN A 143 -12.522 -9.649 -2.702 1.00 31.97 O ATOM 1301 CB GLN A 143 -13.300 -12.425 -1.808 1.00 33.19 C ATOM 1302 CG GLN A 143 -13.956 -13.787 -1.663 1.00 34.06 C ATOM 1303 CD GLN A 143 -12.998 -14.842 -1.135 1.00 41.37 C ATOM 1304 OE1 GLN A 143 -11.839 -14.909 -1.548 1.00 41.20 O ATOM 1305 NE2 GLN A 143 -13.478 -15.667 -0.211 1.00 39.03 N ATOM 1306 HE22 GLN A 143 -14.463 -15.574 0.108 1.00 0.00 H ATOM 1307 HE21 GLN A 143 -12.868 -16.406 0.193 1.00 0.00 H ATOM 1308 H GLN A 143 -13.468 -11.589 -4.460 1.00 0.00 H ATOM 1309 N PHE A 144 -14.292 -9.187 -1.377 1.00 28.08 N ATOM 1310 CA PHE A 144 -13.789 -7.920 -0.861 1.00 27.61 C ATOM 1311 C PHE A 144 -13.470 -8.154 0.610 1.00 27.50 C ATOM 1312 O PHE A 144 -14.379 -8.380 1.416 1.00 27.17 O ATOM 1313 CB PHE A 144 -14.814 -6.800 -1.038 1.00 26.98 C ATOM 1314 CG PHE A 144 -15.167 -6.510 -2.474 1.00 27.17 C ATOM 1315 CD1 PHE A 144 -15.904 -7.415 -3.224 1.00 27.39 C ATOM 1316 CD2 PHE A 144 -14.781 -5.318 -3.067 1.00 27.31 C ATOM 1317 CE1 PHE A 144 -16.234 -7.142 -4.541 1.00 27.61 C ATOM 1318 CE2 PHE A 144 -15.109 -5.041 -4.382 1.00 27.62 C ATOM 1319 CZ PHE A 144 -15.836 -5.954 -5.119 1.00 27.71 C ATOM 1320 H PHE A 144 -15.248 -9.487 -1.099 1.00 0.00 H ATOM 1321 N VAL A 145 -12.186 -8.115 0.956 1.00 27.96 N ATOM 1322 CA VAL A 145 -11.722 -8.467 2.294 1.00 28.07 C ATOM 1323 C VAL A 145 -11.526 -7.189 3.100 1.00 27.51 C ATOM 1324 O VAL A 145 -10.735 -6.318 2.720 1.00 27.73 O ATOM 1325 CB VAL A 145 -10.424 -9.289 2.239 1.00 29.22 C ATOM 1326 CG1 VAL A 145 -9.962 -9.647 3.647 1.00 29.45 C ATOM 1327 CG2 VAL A 145 -10.625 -10.543 1.399 1.00 30.03 C ATOM 1328 H VAL A 145 -11.486 -7.822 0.245 1.00 0.00 H ATOM 1329 N TRP A 146 -12.237 -7.082 4.218 1.00 27.00 N ATOM 1330 CA TRP A 146 -12.162 -5.917 5.093 1.00 26.58 C ATOM 1331 C TRP A 146 -11.421 -6.299 6.369 1.00 26.85 C ATOM 1332 O TRP A 146 -11.917 -7.107 7.161 1.00 26.89 O ATOM 1333 CB TRP A 146 -13.559 -5.391 5.408 1.00 26.02 C ATOM 1334 CG TRP A 146 -14.359 -5.133 4.177 1.00 25.92 C ATOM 1335 CD1 TRP A 146 -15.322 -5.935 3.642 1.00 25.96 C ATOM 1336 CD2 TRP A 146 -14.252 -3.998 3.311 1.00 25.96 C ATOM 1337 NE1 TRP A 146 -15.828 -5.364 2.499 1.00 25.92 N ATOM 1338 CE2 TRP A 146 -15.188 -4.174 2.275 1.00 25.94 C ATOM 1339 CE3 TRP A 146 -13.458 -2.848 3.316 1.00 26.20 C ATOM 1340 CZ2 TRP A 146 -15.354 -3.243 1.253 1.00 26.12 C ATOM 1341 CZ3 TRP A 146 -13.623 -1.924 2.302 1.00 26.49 C ATOM 1342 CH2 TRP A 146 -14.563 -2.127 1.284 1.00 26.43 C ATOM 1343 HE1 TRP A 146 -16.576 -5.770 1.901 1.00 0.00 H ATOM 1344 H TRP A 146 -12.874 -7.862 4.480 1.00 0.00 H ATOM 1345 N ASN A 147 -10.240 -5.717 6.565 1.00 27.21 N ATOM 1346 CA ASN A 147 -9.505 -5.858 7.814 1.00 27.50 C ATOM 1347 C ASN A 147 -9.900 -4.704 8.728 1.00 26.97 C ATOM 1348 O ASN A 147 -9.740 -3.534 8.359 1.00 26.94 O ATOM 1349 CB ASN A 147 -7.993 -5.854 7.583 1.00 28.45 C ATOM 1350 CG ASN A 147 -7.554 -6.856 6.532 1.00 29.26 C ATOM 1351 OD1 ASN A 147 -7.875 -8.040 6.608 1.00 29.52 O ATOM 1352 ND2 ASN A 147 -6.780 -6.389 5.565 1.00 29.90 N ATOM 1353 HD22 ASN A 147 -6.533 -5.379 5.539 1.00 0.00 H ATOM 1354 HD21 ASN A 147 -6.419 -7.032 4.832 1.00 0.00 H ATOM 1355 H ASN A 147 -9.829 -5.143 5.801 1.00 0.00 H ATOM 1356 N ILE A 148 -10.423 -5.029 9.907 1.00 26.75 N ATOM 1357 CA ILE A 148 -10.943 -4.037 10.840 1.00 26.39 C ATOM 1358 C ILE A 148 -9.929 -3.874 11.963 1.00 26.76 C ATOM 1359 O ILE A 148 -9.552 -4.853 12.620 1.00 27.11 O ATOM 1360 CB ILE A 148 -12.315 -4.439 11.403 1.00 26.12 C ATOM 1361 CG1 ILE A 148 -13.248 -4.931 10.291 1.00 25.98 C ATOM 1362 CG2 ILE A 148 -12.932 -3.267 12.158 1.00 25.96 C ATOM 1363 CD1 ILE A 148 -13.436 -3.960 9.154 1.00 25.76 C ATOM 1364 H ILE A 148 -10.463 -6.033 10.174 1.00 0.00 H ATOM 1365 N TYR A 149 -9.494 -2.640 12.191 1.00 26.86 N ATOM 1366 CA TYR A 149 -8.520 -2.334 13.227 1.00 27.31 C ATOM 1367 C TYR A 149 -9.138 -1.390 14.245 1.00 27.11 C ATOM 1368 O TYR A 149 -9.910 -0.494 13.888 1.00 26.94 O ATOM 1369 CB TYR A 149 -7.260 -1.703 12.631 1.00 28.03 C ATOM 1370 CG TYR A 149 -6.453 -2.661 11.793 1.00 28.58 C ATOM 1371 CD1 TYR A 149 -6.768 -2.877 10.457 1.00 28.50 C ATOM 1372 CD2 TYR A 149 -5.377 -3.351 12.333 1.00 29.39 C ATOM 1373 CE1 TYR A 149 -6.033 -3.755 9.683 1.00 29.21 C ATOM 1374 CE2 TYR A 149 -4.637 -4.230 11.567 1.00 30.21 C ATOM 1375 CZ TYR A 149 -4.969 -4.429 10.242 1.00 30.12 C ATOM 1376 OH TYR A 149 -4.233 -5.303 9.478 1.00 31.13 O ATOM 1377 HH TYR A 149 -4.602 -5.328 8.559 1.00 0.00 H ATOM 1378 H TYR A 149 -9.864 -1.863 11.607 1.00 0.00 H ATOM 1379 N ALA A 150 -8.791 -1.597 15.513 1.00 28.09 N ATOM 1380 CA ALA A 150 -9.226 -0.705 16.576 1.00 28.12 C ATOM 1381 C ALA A 150 -8.368 0.553 16.579 1.00 28.68 C ATOM 1382 O ALA A 150 -7.136 0.475 16.552 1.00 29.22 O ATOM 1383 CB ALA A 150 -9.139 -1.408 17.930 1.00 28.28 C ATOM 1384 H ALA A 150 -8.195 -2.416 15.749 1.00 0.00 H ATOM 1385 N ASN A 151 -9.022 1.714 16.607 1.00 24.68 N ATOM 1386 CA ASN A 151 -8.301 2.975 16.705 1.00 25.35 C ATOM 1387 C ASN A 151 -7.806 3.261 18.115 1.00 25.42 C ATOM 1388 O ASN A 151 -6.909 4.095 18.280 1.00 26.15 O ATOM 1389 CB ASN A 151 -9.189 4.136 16.254 1.00 25.69 C ATOM 1390 CG ASN A 151 -9.109 4.389 14.767 1.00 26.29 C ATOM 1391 OD1 ASN A 151 -8.070 4.175 14.146 1.00 26.77 O ATOM 1392 ND2 ASN A 151 -10.205 4.862 14.189 1.00 26.44 N ATOM 1393 HD22 ASN A 151 -11.061 5.028 14.755 1.00 0.00 H ATOM 1394 HD21 ASN A 151 -10.208 5.067 13.169 1.00 0.00 H ATOM 1395 H ASN A 151 -10.061 1.719 16.558 1.00 0.00 H ATOM 1396 N ASN A 152 -8.361 2.598 19.127 1.00 28.37 N ATOM 1397 CA ASN A 152 -8.096 2.974 20.507 1.00 28.55 C ATOM 1398 C ASN A 152 -8.241 1.761 21.413 1.00 28.18 C ATOM 1399 O ASN A 152 -8.813 0.736 21.032 1.00 27.79 O ATOM 1400 CB ASN A 152 -9.049 4.085 20.965 1.00 28.68 C ATOM 1401 CG ASN A 152 -10.509 3.705 20.796 1.00 28.15 C ATOM 1402 OD1 ASN A 152 -11.051 3.759 19.691 1.00 28.07 O ATOM 1403 ND2 ASN A 152 -11.153 3.319 21.889 1.00 27.95 N ATOM 1404 HD22 ASN A 152 -10.656 3.288 22.802 1.00 0.00 H ATOM 1405 HD21 ASN A 152 -12.155 3.047 21.833 1.00 0.00 H ATOM 1406 H ASN A 152 -8.995 1.798 18.928 1.00 0.00 H ATOM 1407 N ASP A 153 -7.710 1.899 22.626 1.00 25.02 N ATOM 1408 CA ASP A 153 -7.917 0.897 23.660 1.00 24.97 C ATOM 1409 C ASP A 153 -9.388 0.814 24.044 1.00 24.60 C ATOM 1410 O ASP A 153 -10.134 1.793 23.965 1.00 24.54 O ATOM 1411 CB ASP A 153 -7.091 1.226 24.905 1.00 25.61 C ATOM 1412 CG ASP A 153 -5.611 0.960 24.717 1.00 26.20 C ATOM 1413 OD1 ASP A 153 -5.237 0.319 23.713 1.00 26.12 O ATOM 1414 OD2 ASP A 153 -4.819 1.392 25.584 1.00 26.88 O ATOM 1415 H ASP A 153 -7.136 2.740 22.839 1.00 0.00 H ATOM 1416 N VAL A 154 -9.803 -0.377 24.463 1.00 25.75 N ATOM 1417 CA VAL A 154 -11.093 -0.587 25.105 1.00 25.71 C ATOM 1418 C VAL A 154 -10.833 -1.248 26.451 1.00 26.33 C ATOM 1419 O VAL A 154 -10.164 -2.286 26.520 1.00 26.67 O ATOM 1420 CB VAL A 154 -12.035 -1.447 24.242 1.00 25.40 C ATOM 1421 CG1 VAL A 154 -13.365 -1.670 24.956 1.00 25.61 C ATOM 1422 CG2 VAL A 154 -12.257 -0.794 22.881 1.00 24.97 C ATOM 1423 H VAL A 154 -9.178 -1.197 24.326 1.00 0.00 H ATOM 1424 N VAL A 155 -11.351 -0.642 27.516 1.00 25.49 N ATOM 1425 CA VAL A 155 -11.141 -1.114 28.879 1.00 26.27 C ATOM 1426 C VAL A 155 -12.442 -1.716 29.389 1.00 26.59 C ATOM 1427 O VAL A 155 -13.508 -1.101 29.271 1.00 26.41 O ATOM 1428 CB VAL A 155 -10.653 0.014 29.807 1.00 26.74 C ATOM 1429 CG1 VAL A 155 -10.619 -0.457 31.257 1.00 27.71 C ATOM 1430 CG2 VAL A 155 -9.263 0.476 29.399 1.00 26.74 C ATOM 1431 H VAL A 155 -11.933 0.208 27.369 1.00 0.00 H ATOM 1432 N VAL A 156 -12.352 -2.919 29.950 1.00 27.30 N ATOM 1433 CA VAL A 156 -13.480 -3.572 30.606 1.00 28.00 C ATOM 1434 C VAL A 156 -13.314 -3.371 32.113 1.00 29.03 C ATOM 1435 O VAL A 156 -12.376 -3.937 32.698 1.00 29.75 O ATOM 1436 CB VAL A 156 -13.553 -5.063 30.256 1.00 28.48 C ATOM 1437 CG1 VAL A 156 -14.707 -5.733 31.002 1.00 29.53 C ATOM 1438 CG2 VAL A 156 -13.695 -5.249 28.755 1.00 27.59 C ATOM 1439 H VAL A 156 -11.439 -3.415 29.920 1.00 0.00 H ATOM 1440 N PRO A 157 -14.169 -2.585 32.770 1.00 29.32 N ATOM 1441 CA PRO A 157 -13.988 -2.358 34.209 1.00 30.45 C ATOM 1442 C PRO A 157 -13.991 -3.665 34.990 1.00 31.73 C ATOM 1443 O PRO A 157 -14.769 -4.579 34.709 1.00 32.05 O ATOM 1444 CB PRO A 157 -15.185 -1.477 34.582 1.00 30.68 C ATOM 1445 CG PRO A 157 -15.554 -0.799 33.316 1.00 29.48 C ATOM 1446 CD PRO A 157 -15.294 -1.801 32.234 1.00 28.79 C ATOM 1447 N THR A 158 -13.110 -3.738 35.982 1.00 42.80 N ATOM 1448 CA THR A 158 -12.961 -4.934 36.804 1.00 44.35 C ATOM 1449 C THR A 158 -13.548 -4.726 38.196 1.00 51.13 C ATOM 1450 O THR A 158 -13.825 -3.600 38.611 1.00 51.75 O ATOM 1451 CB THR A 158 -11.482 -5.339 36.933 1.00 47.07 C ATOM 1452 OG1 THR A 158 -10.680 -4.177 37.182 1.00 46.40 O ATOM 1453 CG2 THR A 158 -11.009 -6.024 35.667 1.00 46.21 C ATOM 1454 OXT THR A 158 -13.757 -5.685 38.940 1.00 60.66 O ATOM 1455 HG1 THR A 158 -10.781 -3.540 36.431 1.00 0.00 H ATOM 1456 H THR A 158 -12.506 -2.915 36.179 1.00 0.00 H TER 1457 THR A 158 HETATM 1458 O HOH 1 -21.068 -14.946 7.410 1.00 15.75 O HETATM 1459 O HOH 2 -7.887 -7.283 19.278 1.00 19.21 O HETATM 1460 O HOH 3 -18.192 2.192 -4.544 1.00 43.85 O HETATM 1461 O HOH 4 -21.678 5.400 -7.474 1.00 38.43 O HETATM 1462 O HOH 5 -10.864 -13.129 28.778 1.00 14.08 O HETATM 1463 O HOH 6 -17.023 -6.425 -8.637 1.00 14.66 O HETATM 1464 O HOH 7 -9.824 -3.089 35.054 1.00 15.82 O HETATM 1465 O HOH 8 -13.146 -17.420 11.884 1.00 10.87 O HETATM 1466 O HOH 9 -16.895 0.772 -9.763 1.00 13.52 O HETATM 1467 O HOH 10 -12.012 -18.292 1.560 1.00 26.87 O HETATM 1468 O HOH 11 -32.691 -10.845 -8.165 1.00 42.72 O HETATM 1469 O HOH 12 -22.140 -14.509 -10.240 1.00 17.30 O HETATM 1470 O HOH 13 -15.382 4.140 13.685 1.00 31.66 O HETATM 1471 O HOH 14 -11.957 -11.171 -5.624 1.00 37.57 O HETATM 1472 O HOH 15 -8.403 3.337 4.913 1.00 28.98 O HETATM 1473 O HOH 16 -26.325 0.460 -4.279 1.00 14.87 O HETATM 1474 O HOH 17 -6.304 -0.454 3.221 1.00 23.09 O HETATM 1475 O HOH 18 -31.010 4.870 -7.377 1.00 16.56 O HETATM 1476 O HOH 19 -31.417 -8.021 -13.317 1.00 39.76 O HETATM 1477 O HOH 20 -22.898 7.422 -4.333 1.00 27.63 O HETATM 1478 O HOH 21 -29.133 -11.709 6.686 1.00 17.71 O HETATM 1479 O HOH 22 -28.697 -4.906 9.901 1.00 24.81 O HETATM 1480 O HOH 23 -20.275 -0.078 24.032 1.00 18.98 O HETATM 1481 O HOH 24 -21.711 -9.699 29.023 1.00 15.80 O HETATM 1482 O HOH 25 -31.330 -4.750 -14.040 1.00 29.01 O HETATM 1483 O HOH 26 -28.196 6.539 -8.952 1.00 45.19 O HETATM 1484 O HOH 27 -4.863 -8.153 16.907 1.00 17.19 O HETATM 1485 O HOH 28 -17.347 -14.506 19.944 1.00 16.99 O HETATM 1486 O HOH 29 -19.056 -16.677 23.801 1.00 19.96 O HETATM 1487 O HOH 30 -12.503 6.041 11.980 1.00 37.77 O HETATM 1488 O HOH 31 -26.202 -3.625 30.609 1.00 40.91 O HETATM 1489 O HOH 32 -20.624 0.478 21.556 1.00 11.64 O HETATM 1490 O HOH 33 -14.536 -7.538 34.674 1.00 27.09 O HETATM 1491 O HOH 34 -24.552 -21.284 14.474 1.00 31.76 O HETATM 1492 O HOH 35 -22.780 -16.909 11.737 1.00 19.12 O HETATM 1493 O HOH 36 -30.498 -3.923 -10.725 1.00 35.43 O HETATM 1494 O HOH 37 -18.441 -20.323 -15.950 1.00 52.37 O HETATM 1495 O HOH 38 -24.650 -18.754 11.227 1.00 19.66 O HETATM 1496 O HOH 39 -19.870 -16.718 -17.551 1.00 37.73 O HETATM 1497 O HOH 40 -9.068 -17.016 11.001 1.00 38.67 O HETATM 1498 O HOH 41 -15.464 -18.152 10.832 1.00 18.84 O HETATM 1499 O HOH 42 -25.412 -5.814 -22.003 1.00 34.43 O HETATM 1500 O HOH 43 -14.476 -16.479 29.636 1.00 47.23 O HETATM 1501 O HOH 44 -32.080 -15.161 7.509 1.00 30.41 O HETATM 1502 O HOH 45 -12.341 -16.203 14.313 1.00 17.89 O HETATM 1503 O HOH 46 -23.173 -10.698 21.759 1.00 16.07 O HETATM 1504 O HOH 47 -9.720 -10.641 -3.146 1.00 23.55 O HETATM 1505 O HOH 48 -2.757 -0.010 27.270 1.00 20.59 O HETATM 1506 O HOH 49 -28.443 2.947 -3.328 1.00 17.81 O HETATM 1507 O HOH 50 -7.545 -8.036 29.287 1.00 19.97 O HETATM 1508 O HOH 51 -23.007 -15.235 9.400 1.00 18.78 O HETATM 1509 O HOH 52 -18.163 1.812 19.608 1.00 22.98 O HETATM 1510 O HOH 53 -15.181 -13.818 19.867 1.00 15.97 O HETATM 1511 O HOH 54 -19.494 1.797 15.963 1.00 58.60 O HETATM 1512 O HOH 55 -25.509 3.536 8.477 1.00 19.90 O HETATM 1513 O HOH 56 -15.102 -14.936 -10.765 1.00 29.20 O HETATM 1514 O HOH 57 -11.228 3.342 7.547 1.00 18.61 O HETATM 1515 O HOH 58 -5.654 4.213 22.922 1.00 16.19 O HETATM 1516 O HOH 59 -30.850 -13.248 -15.234 1.00 45.69 O HETATM 1517 O HOH 60 -12.791 -5.082 41.856 1.00 14.24 O HETATM 1518 O HOH 61 -13.533 4.601 6.914 1.00 18.75 O HETATM 1519 O HOH 62 -23.186 -13.316 -3.016 1.00 19.06 O HETATM 1520 O HOH 63 -6.166 -7.410 24.834 1.00 28.71 O HETATM 1521 O HOH 64 -6.271 -9.180 26.398 1.00 31.07 O HETATM 1522 O HOH 65 -2.719 -6.803 15.781 1.00 35.63 O HETATM 1523 O HOH 66 -33.275 -2.158 -13.605 1.00 14.64 O HETATM 1524 O HOH 67 -7.021 -12.203 27.475 1.00 27.45 O HETATM 1525 O HOH 68 -10.889 -21.399 4.471 1.00 39.56 O HETATM 1526 O HOH 69 -28.190 9.672 -6.205 1.00 43.25 O HETATM 1527 O HOH 70 -16.730 7.979 14.749 1.00 30.66 O HETATM 1528 O HOH 71 -14.225 0.163 -9.648 1.00 14.79 O HETATM 1529 O HOH 72 -5.175 -13.229 16.719 1.00 31.98 O HETATM 1530 O HOH 73 -16.932 -10.151 35.498 1.00 34.43 O HETATM 1531 O HOH 74 -25.630 -9.676 22.486 1.00 24.88 O HETATM 1532 O HOH 75 -32.159 -14.679 -5.975 1.00 62.48 O HETATM 1533 O HOH 76 -25.814 -3.180 10.254 1.00 33.60 O HETATM 1534 O HOH 77 -26.376 -0.525 14.098 1.00 58.26 O HETATM 1535 O HOH 78 -32.847 -11.872 13.850 1.00 41.30 O HETATM 1536 O HOH 79 1.436 -2.652 24.445 1.00 16.51 O HETATM 1537 O HOH 80 -26.774 6.427 -11.777 1.00 39.25 O HETATM 1538 O HOH 81 -16.689 8.301 0.750 1.00 25.89 O HETATM 1539 O HOH 82 -27.096 -6.859 26.486 1.00 23.66 O HETATM 1540 O HOH 83 -4.060 -2.388 2.611 1.00 23.63 O HETATM 1541 O HOH 84 -29.124 -0.079 -3.824 1.00 16.17 O HETATM 1542 O HOH 85 -5.168 -12.659 9.878 1.00 48.74 O HETATM 1543 O HOH 86 -22.561 -4.903 -22.198 1.00 14.87 O HETATM 1544 O HOH 87 -30.122 -16.122 -0.101 1.00 13.58 O HETATM 1545 O HOH 88 -20.006 7.173 0.940 1.00 47.02 O HETATM 1546 O HOH 89 -14.627 -16.063 -3.896 1.00 29.29 O HETATM 1547 O HOH 90 -2.790 -4.364 3.885 1.00 57.26 O HETATM 1548 O HOH 91 -8.073 -11.226 30.417 1.00 33.44 O HETATM 1549 O HOH 92 -3.135 3.161 16.925 1.00 39.34 O HETATM 1550 O HOH 93 -26.114 -0.963 28.508 1.00 37.52 O HETATM 1551 O HOH 94 -1.449 -2.956 8.830 1.00 35.28 O HETATM 1552 O HOH 95 -4.560 3.204 14.796 1.00 28.90 O HETATM 1553 O HOH 96 -27.200 -8.651 20.679 1.00 36.86 O HETATM 1554 O HOH 97 -4.815 -11.255 22.141 1.00 56.65 O HETATM 1555 O HOH 98 -25.981 -8.447 26.042 1.00 23.46 O HETATM 1556 O HOH 99 -22.616 -12.368 -20.350 1.00 27.04 O HETATM 1557 O HOH 100 -16.499 6.012 19.433 1.00 54.36 O HETATM 1558 O HOH 101 -27.303 -15.074 17.101 1.00 13.49 O HETATM 1559 O HOH 102 -20.157 -3.441 36.114 1.00 17.20 O HETATM 1560 O HOH 103 -24.716 1.833 16.396 1.00 44.34 O HETATM 1561 O HOH 104 -8.233 -17.056 15.359 1.00 48.46 O HETATM 1562 O HOH 105 -9.802 4.495 27.966 1.00 20.52 O HETATM 1563 O HOH 106 -9.883 -9.453 35.298 1.00 26.45 O HETATM 1564 O HOH 107 -19.995 3.503 30.046 1.00 39.12 O HETATM 1565 O HOH 108 -23.635 -17.101 -16.535 1.00 30.17 O HETATM 1566 O HOH 109 -18.816 11.474 -3.140 1.00 46.38 O HETATM 1567 O HOH 110 -10.055 6.463 24.217 1.00 18.15 O HETATM 1568 O HOH 111 -19.553 4.122 20.792 1.00 35.50 O HETATM 1569 O HOH 112 -31.741 -12.888 -3.640 1.00 38.78 O HETATM 1570 O HOH 113 -17.602 7.048 11.017 1.00 34.02 O HETATM 1571 O HOH 114 -24.403 0.559 26.330 1.00 24.23 O HETATM 1572 O HOH 115 -17.995 -4.052 37.230 1.00 22.30 O HETATM 1573 O HOH 116 -31.576 -11.296 5.484 1.00 39.95 O HETATM 1574 O HOH 117 -4.003 -9.292 7.433 1.00 42.65 O HETATM 1575 O HOH 118 -7.702 -9.561 -6.039 1.00 27.32 O HETATM 1576 O HOH 119 -0.837 2.748 17.866 1.00 35.92 O HETATM 1577 O HOH 120 -22.470 -17.119 -9.067 1.00 23.85 O HETATM 1578 O HOH 121 -5.068 -10.689 8.786 1.00 25.72 O HETATM 1579 O HOH 122 -18.953 3.783 32.785 1.00 48.27 O HETATM 1580 O HOH 123 -28.773 -7.038 19.630 1.00 39.87 O HETATM 1581 O HOH 124 -13.548 1.781 -7.600 1.00 22.33 O HETATM 1582 O HOH 125 -33.131 -11.673 -2.458 1.00 42.71 O HETATM 1583 O HOH 126 -22.469 -4.162 36.531 1.00 27.90 O HETATM 1584 O HOH 127 -17.864 -7.392 40.395 1.00 21.74 O HETATM 1585 O HOH 128 -28.252 0.564 5.979 1.00 19.20 O HETATM 1586 O HOH 129 -11.327 5.874 29.692 1.00 10.72 O HETATM 1587 O HOH 130 -2.498 5.070 6.872 1.00 24.21 O HETATM 1588 O HOH 131 -18.118 -7.037 -18.269 1.00 17.23 O HETATM 1589 O HOH 132 -30.597 -2.096 6.865 1.00 38.48 O HETATM 1590 O HOH 133 -33.465 -16.192 2.741 1.00 38.99 O HETATM 1591 O HOH 134 -19.063 -9.286 38.750 1.00 36.59 O HETATM 1592 O3 AH A 2 -19.295 -8.295 -11.288 1.00 -0.39 O HETATM 1593 C3 AH A 2 -19.723 -7.252 -12.157 1.00 0.11 C HETATM 1594 C4 AH A 2 -20.885 -6.497 -11.528 1.00 0.11 C HETATM 1595 C5 AH A 2 -21.284 -5.328 -12.422 1.00 0.11 C HETATM 1596 C6 AH A 2 -22.426 -4.511 -11.868 1.00 0.07 C HETATM 1597 O6 AH A 2 -22.136 -4.027 -10.565 1.00 -0.39 O HETATM 1598 H7 AH A 2 -22.872 -3.518 -10.246 1.00 0.21 H HETATM 1599 H5 AH A 2 -23.327 -5.141 -11.823 1.00 0.06 H HETATM 1600 H6 AH A 2 -22.610 -3.655 -12.534 1.00 0.06 H HETATM 1601 O5 AH A 2 -20.144 -4.472 -12.516 1.00 -0.37 O HETATM 1602 C1 AH A 2 -19.059 -5.103 -13.207 1.00 0.08 C HETATM 1603 C2 AH A 2 -18.559 -6.317 -12.448 1.00 0.11 C HETATM 1604 O2 AH A 2 -17.953 -5.899 -11.224 1.00 -0.39 O HETATM 1605 H10 AH A 2 -17.634 -6.660 -10.754 1.00 0.21 H HETATM 1606 H9 AH A 2 -17.813 -6.846 -13.059 1.00 0.06 H HETATM 1607 H11 AH A 2 -18.235 -4.383 -13.315 1.00 0.06 H HETATM 1608 H12 AH A 2 -19.403 -5.419 -14.203 1.00 0.06 H HETATM 1609 H3 AH A 2 -21.562 -5.709 -13.416 1.00 0.06 H HETATM 1610 O4 AH A 2 -22.000 -7.365 -11.358 1.00 -0.39 O HETATM 1611 H4 AH A 2 -22.714 -6.886 -10.954 1.00 0.21 H HETATM 1612 H2 AH A 2 -20.574 -6.112 -10.546 1.00 0.06 H HETATM 1613 H8 AH A 2 -20.064 -7.695 -13.104 1.00 0.06 H HETATM 1614 H1 AH A 2 -18.570 -8.761 -11.688 1.00 0.21 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 26 25 376 CONECT 376 26 375 CONECT 1592 1593 1614 CONECT 1593 1592 1594 1603 1613 CONECT 1594 1593 1595 1610 1612 CONECT 1595 1594 1596 1601 1609 CONECT 1596 1595 1597 1599 1600 CONECT 1597 1596 1598 CONECT 1598 1597 CONECT 1599 1596 CONECT 1600 1596 CONECT 1601 1595 1602 CONECT 1602 1601 1603 1607 1608 CONECT 1603 1593 1602 1604 1606 CONECT 1604 1603 1605 CONECT 1605 1604 CONECT 1606 1603 CONECT 1607 1602 CONECT 1608 1602 CONECT 1609 1595 CONECT 1610 1594 1611 CONECT 1611 1610 CONECT 1612 1594 CONECT 1613 1593 CONECT 1614 1592 MASTER 0 0 0 0 0 0 0 0 1613 1 29 13 END
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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
5muc
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein FimH
Ligand Name
AH2
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
Kd=0.913uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Chemistry Vol. 24: pp. 13049-13057
Ligand Properties
Formula
C
6
H
1
2
O
5
Molecular Weight
164.156
Exact Mass
164.068
No. of atoms
23
No. of bonds
23
Polar Surface Area
90.15
LOGP Value
-2.07 (
Computed with XLOGP3
)
-2.54 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
Canonical SMILES
OC[C@H]1OC[C@H]([C@H]([C@@H]1O)O)O
InChI String
InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/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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