Browse entries in the PDBbind-CN Database
HEADER 5FWR_COMPLEX COMPND 5FWR_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 UNN A 348 44 ATOM 1 N PHE A 1 7.068 14.011 -13.813 1.00 13.76 N ATOM 2 CA PHE A 1 8.035 12.886 -14.043 1.00 24.16 C ATOM 3 C PHE A 1 7.603 11.584 -13.333 1.00 14.98 C ATOM 4 O PHE A 1 7.270 11.580 -12.159 1.00 8.54 O ATOM 5 CB PHE A 1 9.423 13.314 -13.582 1.00 10.58 C ATOM 6 CG PHE A 1 10.483 12.255 -13.728 1.00 23.78 C ATOM 7 CD1 PHE A 1 11.181 12.142 -14.914 1.00 22.69 C ATOM 8 CD2 PHE A 1 10.768 11.372 -12.691 1.00 7.76 C ATOM 9 CE1 PHE A 1 12.211 11.211 -15.073 1.00 14.09 C ATOM 10 CE2 PHE A 1 11.816 10.443 -12.829 1.00 10.68 C ATOM 11 CZ PHE A 1 12.507 10.342 -14.027 1.00 9.87 C ATOM 12 HN3 PHE A 1 7.002 14.207 -12.794 1.00 0.00 H ATOM 13 HN2 PHE A 1 6.132 13.742 -14.177 1.00 0.00 H ATOM 14 HN1 PHE A 1 7.403 14.861 -14.310 1.00 0.00 H ATOM 15 N ALA A 2 7.587 10.492 -14.071 1.00 16.85 N ATOM 16 CA ALA A 2 7.311 9.177 -13.496 1.00 5.49 C ATOM 17 C ALA A 2 8.163 8.135 -14.198 1.00 10.11 C ATOM 18 O ALA A 2 8.599 8.359 -15.326 1.00 9.48 O ATOM 19 CB ALA A 2 5.847 8.776 -13.654 1.00 12.14 C ATOM 20 H ALA A 2 7.776 10.568 -15.091 1.00 0.00 H ATOM 21 N CYS A 3 8.264 6.936 -13.562 1.00 12.68 N ATOM 22 CA CYS A 3 8.952 5.781 -14.108 1.00 32.80 C ATOM 23 C CYS A 3 8.078 4.539 -13.992 1.00 28.32 C ATOM 24 O CYS A 3 7.041 4.522 -13.314 1.00 27.59 O ATOM 25 CB CYS A 3 10.278 5.530 -13.377 1.00 28.57 C ATOM 26 SG CYS A 3 11.209 7.013 -12.980 1.00 18.87 S ATOM 27 H CYS A 3 7.820 6.842 -12.626 1.00 0.00 H ATOM 28 N LYS A 4 8.512 3.494 -14.680 1.00 22.45 N ATOM 29 CA LYS A 4 7.876 2.194 -14.658 1.00 22.34 C ATOM 30 C LYS A 4 8.910 1.129 -15.021 1.00 29.53 C ATOM 31 O LYS A 4 9.877 1.397 -15.750 1.00 17.78 O ATOM 32 CB LYS A 4 6.722 2.165 -15.652 1.00 30.65 C ATOM 33 CG LYS A 4 7.178 2.290 -17.110 1.00 33.74 C ATOM 34 CD LYS A 4 6.037 2.351 -18.064 1.00 50.17 C ATOM 35 CE LYS A 4 5.371 3.727 -18.071 1.00 58.45 C ATOM 36 NZ LYS A 4 4.370 3.850 -19.173 1.00 69.84 N ATOM 37 HZ1 LYS A 4 4.844 3.710 -20.088 1.00 0.00 H ATOM 38 HZ2 LYS A 4 3.631 3.128 -19.051 1.00 0.00 H ATOM 39 HZ3 LYS A 4 3.940 4.797 -19.145 1.00 0.00 H ATOM 40 H LYS A 4 9.359 3.614 -15.271 1.00 0.00 H ATOM 41 N THR A 5 8.665 -0.091 -14.539 1.00 18.57 N ATOM 42 CA THR A 5 9.441 -1.258 -14.931 1.00 20.05 C ATOM 43 C THR A 5 8.963 -1.831 -16.264 1.00 23.49 C ATOM 44 O THR A 5 7.925 -1.466 -16.831 1.00 25.31 O ATOM 45 CB THR A 5 9.360 -2.329 -13.856 1.00 15.01 C ATOM 46 OG1 THR A 5 7.996 -2.653 -13.598 1.00 33.83 O ATOM 47 CG2 THR A 5 9.933 -1.804 -12.584 1.00 10.76 C ATOM 48 HG1 THR A 5 7.951 -3.351 -12.897 1.00 0.00 H ATOM 49 H THR A 5 7.889 -0.213 -13.857 1.00 0.00 H ATOM 50 N ALA A 6 9.741 -2.765 -16.758 1.00 21.21 N ATOM 51 CA ALA A 6 9.365 -3.402 -18.007 1.00 35.05 C ATOM 52 C ALA A 6 8.127 -4.265 -17.814 1.00 26.88 C ATOM 53 O ALA A 6 7.355 -4.448 -18.757 1.00 25.70 O ATOM 54 CB ALA A 6 10.526 -4.223 -18.556 1.00 46.61 C ATOM 55 H ALA A 6 10.612 -3.044 -16.263 1.00 0.00 H ATOM 56 N ASN A 7 7.885 -4.740 -16.594 1.00 25.17 N ATOM 57 CA ASN A 7 6.687 -5.517 -16.326 1.00 39.72 C ATOM 58 C ASN A 7 5.497 -4.638 -15.974 1.00 37.25 C ATOM 59 O ASN A 7 4.394 -5.165 -15.809 1.00 38.95 O ATOM 60 CB ASN A 7 6.953 -6.530 -15.198 1.00 37.92 C ATOM 61 CG ASN A 7 7.304 -5.853 -13.911 1.00 48.05 C ATOM 62 OD1 ASN A 7 7.729 -4.699 -13.927 1.00 55.49 O ATOM 63 ND2 ASN A 7 7.123 -6.543 -12.788 1.00 42.05 N ATOM 64 HD22 ASN A 7 6.761 -7.517 -12.829 1.00 0.00 H ATOM 65 HD21 ASN A 7 7.344 -6.108 -11.869 1.00 0.00 H ATOM 66 H ASN A 7 8.560 -4.553 -15.825 1.00 0.00 H ATOM 67 N GLY A 8 5.699 -3.319 -15.851 1.00 39.63 N ATOM 68 CA GLY A 8 4.628 -2.358 -15.677 1.00 12.34 C ATOM 69 C GLY A 8 4.423 -1.848 -14.281 1.00 18.60 C ATOM 70 O GLY A 8 3.481 -1.071 -14.070 1.00 41.99 O ATOM 71 H GLY A 8 6.677 -2.966 -15.882 1.00 0.00 H ATOM 72 N THR A 9 5.236 -2.270 -13.312 1.00 27.73 N ATOM 73 CA THR A 9 5.134 -1.698 -11.974 1.00 36.94 C ATOM 74 C THR A 9 5.556 -0.237 -12.053 1.00 25.65 C ATOM 75 O THR A 9 6.622 0.068 -12.576 1.00 23.10 O ATOM 76 CB THR A 9 6.021 -2.452 -10.968 1.00 46.57 C ATOM 77 OG1 THR A 9 5.591 -3.810 -10.846 1.00 55.21 O ATOM 78 CG2 THR A 9 5.942 -1.793 -9.597 1.00 44.37 C ATOM 79 HG1 THR A 9 6.171 -4.281 -10.196 1.00 0.00 H ATOM 80 H THR A 9 5.943 -3.007 -13.510 1.00 0.00 H ATOM 81 N ALA A 10 4.719 0.674 -11.565 1.00 45.80 N ATOM 82 CA ALA A 10 4.974 2.102 -11.713 1.00 42.76 C ATOM 83 C ALA A 10 5.359 2.717 -10.374 1.00 43.16 C ATOM 84 O ALA A 10 4.963 2.218 -9.310 1.00 36.84 O ATOM 85 CB ALA A 10 3.749 2.826 -12.282 1.00 32.64 C ATOM 86 H ALA A 10 3.862 0.360 -11.066 1.00 0.00 H ATOM 87 N ILE A 11 6.187 3.766 -10.451 1.00 28.08 N ATOM 88 CA ILE A 11 6.455 4.694 -9.350 1.00 22.97 C ATOM 89 C ILE A 11 5.978 6.071 -9.792 1.00 13.48 C ATOM 90 O ILE A 11 6.591 6.629 -10.694 1.00 8.24 O ATOM 91 CB ILE A 11 7.941 4.786 -8.986 1.00 22.87 C ATOM 92 CG1 ILE A 11 8.525 3.436 -8.605 1.00 16.81 C ATOM 93 CG2 ILE A 11 8.082 5.757 -7.845 1.00 37.06 C ATOM 94 CD1 ILE A 11 9.955 3.494 -8.028 1.00 8.76 C ATOM 95 H ILE A 11 6.673 3.934 -11.355 1.00 0.00 H ATOM 96 N PRO A 12 4.921 6.638 -9.221 1.00 19.94 N ATOM 97 CA PRO A 12 4.308 7.822 -9.810 1.00 21.37 C ATOM 98 C PRO A 12 5.105 9.087 -9.483 1.00 19.05 C ATOM 99 O PRO A 12 6.156 9.059 -8.810 1.00 9.47 O ATOM 100 CB PRO A 12 2.947 7.842 -9.151 1.00 15.43 C ATOM 101 CG PRO A 12 3.299 7.445 -7.746 1.00 19.04 C ATOM 102 CD PRO A 12 4.304 6.338 -7.913 1.00 20.94 C ATOM 103 N ILE A 13 4.555 10.203 -9.955 1.00 15.27 N ATOM 104 CA ILE A 13 5.011 11.539 -9.608 1.00 18.48 C ATOM 105 C ILE A 13 5.223 11.558 -8.118 1.00 12.51 C ATOM 106 O ILE A 13 4.381 11.080 -7.360 1.00 21.03 O ATOM 107 CB ILE A 13 3.998 12.616 -10.043 1.00 11.31 C ATOM 108 CG1 ILE A 13 4.049 12.757 -11.571 1.00 18.00 C ATOM 109 CG2 ILE A 13 4.155 13.946 -9.178 1.00 3.88 C ATOM 110 CD1 ILE A 13 2.851 13.410 -12.170 1.00 20.15 C ATOM 111 H ILE A 13 3.752 10.114 -10.610 1.00 0.00 H ATOM 112 N GLY A 14 6.356 12.061 -7.694 1.00 11.39 N ATOM 113 CA GLY A 14 6.640 12.238 -6.283 1.00 28.91 C ATOM 114 C GLY A 14 7.590 11.219 -5.692 1.00 23.50 C ATOM 115 O GLY A 14 8.037 11.398 -4.552 1.00 19.71 O ATOM 116 H GLY A 14 7.074 12.342 -8.391 1.00 0.00 H ATOM 117 N GLY A 15 7.895 10.158 -6.412 1.00 27.85 N ATOM 118 CA GLY A 15 8.859 9.188 -5.932 1.00 32.41 C ATOM 119 C GLY A 15 8.203 8.004 -5.241 1.00 26.29 C ATOM 120 O GLY A 15 6.980 7.894 -5.121 1.00 29.31 O ATOM 121 H GLY A 15 7.439 10.015 -7.335 1.00 0.00 H ATOM 122 N GLY A 16 9.057 7.106 -4.781 1.00 12.45 N ATOM 123 CA GLY A 16 8.620 5.892 -4.183 1.00 6.04 C ATOM 124 C GLY A 16 9.645 4.783 -4.444 1.00 12.25 C ATOM 125 O GLY A 16 10.844 5.044 -4.552 1.00 17.30 O ATOM 126 H GLY A 16 10.077 7.293 -4.859 1.00 0.00 H ATOM 127 N SER A 17 9.181 3.541 -4.541 1.00 34.00 N ATOM 128 CA SER A 17 10.124 2.434 -4.671 1.00 31.62 C ATOM 129 C SER A 17 9.497 1.321 -5.488 1.00 33.75 C ATOM 130 O SER A 17 8.269 1.172 -5.523 1.00 13.94 O ATOM 131 CB SER A 17 10.574 1.908 -3.293 1.00 26.89 C ATOM 132 OG SER A 17 9.500 1.327 -2.578 1.00 30.70 O ATOM 133 HG SER A 17 9.826 1.002 -1.702 1.00 0.00 H ATOM 134 H SER A 17 8.157 3.360 -4.524 1.00 0.00 H ATOM 135 N ALA A 18 10.353 0.530 -6.147 1.00 34.23 N ATOM 136 CA ALA A 18 9.882 -0.645 -6.874 1.00 21.98 C ATOM 137 C ALA A 18 10.923 -1.754 -6.827 1.00 25.18 C ATOM 138 O ALA A 18 12.122 -1.497 -6.722 1.00 11.81 O ATOM 139 CB ALA A 18 9.545 -0.281 -8.330 1.00 24.97 C ATOM 140 H ALA A 18 11.368 0.756 -6.141 1.00 0.00 H ATOM 141 N ASN A 19 10.451 -2.997 -6.926 1.00 22.49 N ATOM 142 CA ASN A 19 11.322 -4.153 -7.070 1.00 22.73 C ATOM 143 C ASN A 19 11.518 -4.498 -8.546 1.00 28.00 C ATOM 144 O ASN A 19 10.553 -4.550 -9.311 1.00 24.36 O ATOM 145 CB ASN A 19 10.732 -5.325 -6.297 1.00 19.53 C ATOM 146 CG ASN A 19 10.618 -5.008 -4.857 1.00 18.47 C ATOM 147 OD1 ASN A 19 11.394 -4.210 -4.319 1.00 13.22 O ATOM 148 ND2 ASN A 19 9.646 -5.598 -4.209 1.00 29.52 N ATOM 149 HD22 ASN A 19 9.018 -6.262 -4.705 1.00 0.00 H ATOM 150 HD21 ASN A 19 9.501 -5.402 -3.198 1.00 0.00 H ATOM 151 H ASN A 19 9.422 -3.146 -6.899 1.00 0.00 H ATOM 152 N VAL A 20 12.779 -4.675 -8.948 1.00 27.16 N ATOM 153 CA VAL A 20 13.145 -5.141 -10.281 1.00 23.97 C ATOM 154 C VAL A 20 13.826 -6.502 -10.113 1.00 25.52 C ATOM 155 O VAL A 20 14.708 -6.662 -9.262 1.00 15.11 O ATOM 156 CB VAL A 20 14.054 -4.119 -10.995 1.00 25.94 C ATOM 157 CG1 VAL A 20 14.253 -4.482 -12.479 1.00 17.96 C ATOM 158 CG2 VAL A 20 13.483 -2.639 -10.868 1.00 13.61 C ATOM 159 H VAL A 20 13.543 -4.469 -8.273 1.00 0.00 H ATOM 160 N TYR A 21 13.338 -7.508 -10.830 1.00 27.11 N ATOM 161 CA TYR A 21 13.893 -8.858 -10.774 1.00 17.43 C ATOM 162 C TYR A 21 14.570 -9.080 -12.111 1.00 12.83 C ATOM 163 O TYR A 21 13.965 -8.841 -13.150 1.00 12.20 O ATOM 164 CB TYR A 21 12.806 -9.894 -10.470 1.00 24.59 C ATOM 165 CG TYR A 21 12.118 -9.693 -9.100 1.00 30.09 C ATOM 166 CD1 TYR A 21 10.993 -8.890 -8.985 1.00 33.15 C ATOM 167 CD2 TYR A 21 12.593 -10.318 -7.942 1.00 26.28 C ATOM 168 CE1 TYR A 21 10.363 -8.696 -7.769 1.00 31.16 C ATOM 169 CE2 TYR A 21 11.974 -10.128 -6.710 1.00 30.89 C ATOM 170 CZ TYR A 21 10.836 -9.313 -6.640 1.00 38.03 C ATOM 171 OH TYR A 21 10.153 -9.092 -5.454 1.00 31.87 O ATOM 172 HH TYR A 21 10.763 -8.672 -4.797 1.00 0.00 H ATOM 173 H TYR A 21 12.528 -7.327 -11.457 1.00 0.00 H ATOM 174 N VAL A 22 15.862 -9.418 -12.088 1.00 21.24 N ATOM 175 CA VAL A 22 16.670 -9.450 -13.301 1.00 18.11 C ATOM 176 C VAL A 22 17.170 -10.871 -13.512 1.00 14.23 C ATOM 177 O VAL A 22 17.501 -11.562 -12.543 1.00 13.74 O ATOM 178 CB VAL A 22 17.853 -8.456 -13.206 1.00 11.10 C ATOM 179 CG1 VAL A 22 17.328 -7.059 -13.081 1.00 17.83 C ATOM 180 CG2 VAL A 22 18.769 -8.792 -12.000 1.00 23.36 C ATOM 181 H VAL A 22 16.304 -9.665 -11.180 1.00 0.00 H ATOM 182 N ASN A 23 17.235 -11.305 -14.774 1.00 19.40 N ATOM 183 CA ASN A 23 17.898 -12.579 -15.100 1.00 26.97 C ATOM 184 C ASN A 23 19.405 -12.334 -15.267 1.00 22.01 C ATOM 185 O ASN A 23 19.796 -11.369 -15.933 1.00 26.45 O ATOM 186 CB ASN A 23 17.304 -13.198 -16.368 1.00 10.46 C ATOM 187 CG ASN A 23 15.802 -13.493 -16.244 1.00 25.73 C ATOM 188 OD1 ASN A 23 15.293 -13.805 -15.159 1.00 22.03 O ATOM 189 ND2 ASN A 23 15.097 -13.386 -17.355 1.00 17.19 N ATOM 190 HD22 ASN A 23 15.566 -13.121 -18.245 1.00 0.00 H ATOM 191 HD21 ASN A 23 14.073 -13.566 -17.340 1.00 0.00 H ATOM 192 H ASN A 23 16.812 -10.736 -15.535 1.00 0.00 H ATOM 193 N LEU A 24 20.237 -13.171 -14.631 1.00 21.57 N ATOM 194 CA LEU A 24 21.708 -13.058 -14.711 1.00 26.03 C ATOM 195 C LEU A 24 22.362 -14.168 -15.535 1.00 24.38 C ATOM 196 O LEU A 24 21.843 -15.282 -15.642 1.00 24.87 O ATOM 197 CB LEU A 24 22.354 -13.092 -13.320 1.00 13.08 C ATOM 198 CG LEU A 24 21.659 -12.160 -12.359 1.00 10.46 C ATOM 199 CD1 LEU A 24 22.031 -12.400 -10.927 1.00 12.82 C ATOM 200 CD2 LEU A 24 21.883 -10.691 -12.777 1.00 10.93 C ATOM 201 H LEU A 24 19.828 -13.935 -14.055 1.00 0.00 H ATOM 202 N ALA A 25 23.523 -13.865 -16.112 1.00 29.11 N ATOM 203 CA ALA A 25 24.392 -14.923 -16.622 1.00 18.20 C ATOM 204 C ALA A 25 24.507 -15.984 -15.541 1.00 6.80 C ATOM 205 O ALA A 25 24.904 -15.657 -14.413 1.00 14.47 O ATOM 206 CB ALA A 25 25.780 -14.403 -16.958 1.00 25.73 C ATOM 207 H ALA A 25 23.813 -12.870 -16.200 1.00 0.00 H ATOM 208 N PRO A 26 24.103 -17.227 -15.799 1.00 16.56 N ATOM 209 CA PRO A 26 24.105 -18.178 -14.690 1.00 12.32 C ATOM 210 C PRO A 26 25.516 -18.569 -14.316 1.00 7.92 C ATOM 211 O PRO A 26 25.828 -18.726 -13.127 1.00 3.70 O ATOM 212 CB PRO A 26 23.261 -19.359 -15.214 1.00 14.99 C ATOM 213 CG PRO A 26 23.373 -19.261 -16.716 1.00 28.30 C ATOM 214 CD PRO A 26 23.532 -17.802 -17.032 1.00 26.38 C ATOM 215 N VAL A 27 26.394 -18.676 -15.290 1.00 2.04 N ATOM 216 CA VAL A 27 27.790 -19.087 -14.993 1.00 21.67 C ATOM 217 C VAL A 27 28.731 -17.997 -15.454 1.00 15.21 C ATOM 218 O VAL A 27 28.724 -17.617 -16.634 1.00 17.33 O ATOM 219 CB VAL A 27 28.188 -20.454 -15.608 1.00 12.92 C ATOM 220 CG1 VAL A 27 29.682 -20.773 -15.345 1.00 29.71 C ATOM 221 CG2 VAL A 27 27.399 -21.577 -14.996 1.00 14.94 C ATOM 222 H VAL A 27 26.110 -18.472 -16.270 1.00 0.00 H ATOM 223 N VAL A 28 29.551 -17.520 -14.522 1.00 12.37 N ATOM 224 CA VAL A 28 30.519 -16.451 -14.764 1.00 23.21 C ATOM 225 C VAL A 28 31.902 -16.840 -14.237 1.00 8.19 C ATOM 226 O VAL A 28 32.086 -17.060 -13.040 1.00 5.46 O ATOM 227 CB VAL A 28 30.101 -15.124 -14.105 1.00 30.39 C ATOM 228 CG1 VAL A 28 30.869 -13.999 -14.705 1.00 25.73 C ATOM 229 CG2 VAL A 28 28.632 -14.885 -14.242 1.00 29.24 C ATOM 230 H VAL A 28 29.501 -17.930 -13.568 1.00 0.00 H ATOM 231 N ASN A 29 32.872 -16.797 -15.099 1.00 15.40 N ATOM 232 CA ASN A 29 34.248 -17.086 -14.724 1.00 20.09 C ATOM 233 C ASN A 29 34.978 -15.878 -14.150 1.00 25.72 C ATOM 234 O ASN A 29 34.782 -14.747 -14.605 1.00 19.77 O ATOM 235 CB ASN A 29 34.981 -17.631 -15.942 1.00 18.88 C ATOM 236 CG ASN A 29 34.771 -19.102 -16.087 1.00 32.32 C ATOM 237 OD1 ASN A 29 34.784 -19.811 -15.093 1.00 33.13 O ATOM 238 ND2 ASN A 29 34.551 -19.571 -17.302 1.00 28.36 N ATOM 239 HD22 ASN A 29 34.550 -18.925 -18.117 1.00 0.00 H ATOM 240 HD21 ASN A 29 34.378 -20.587 -17.444 1.00 0.00 H ATOM 241 H ASN A 29 32.659 -16.549 -16.086 1.00 0.00 H ATOM 242 N VAL A 30 35.826 -16.139 -13.135 1.00 34.01 N ATOM 243 CA VAL A 30 36.808 -15.162 -12.668 1.00 37.12 C ATOM 244 C VAL A 30 37.456 -14.536 -13.888 1.00 30.05 C ATOM 245 O VAL A 30 37.628 -15.199 -14.912 1.00 26.42 O ATOM 246 CB VAL A 30 37.845 -15.828 -11.735 1.00 40.88 C ATOM 247 CG1 VAL A 30 39.003 -14.892 -11.440 1.00 44.87 C ATOM 248 CG2 VAL A 30 37.207 -16.292 -10.378 1.00 27.04 C ATOM 249 H VAL A 30 35.780 -17.067 -12.668 1.00 0.00 H ATOM 250 N GLY A 31 37.730 -13.229 -13.823 1.00 34.86 N ATOM 251 CA GLY A 31 38.256 -12.533 -14.988 1.00 26.53 C ATOM 252 C GLY A 31 37.284 -12.340 -16.124 1.00 28.76 C ATOM 253 O GLY A 31 37.713 -12.060 -17.250 1.00 29.65 O ATOM 254 H GLY A 31 37.567 -12.708 -12.938 1.00 0.00 H ATOM 255 N GLN A 32 35.989 -12.501 -15.870 1.00 31.22 N ATOM 256 CA GLN A 32 34.942 -12.292 -16.859 1.00 23.17 C ATOM 257 C GLN A 32 33.863 -11.417 -16.218 1.00 21.04 C ATOM 258 O GLN A 32 33.771 -11.269 -14.992 1.00 19.15 O ATOM 259 CB GLN A 32 34.372 -13.637 -17.386 1.00 36.10 C ATOM 260 CG GLN A 32 32.821 -13.710 -17.401 1.00 47.29 C ATOM 261 CD GLN A 32 32.213 -15.063 -17.833 1.00 62.36 C ATOM 262 OE1 GLN A 32 32.772 -16.142 -17.589 1.00 47.56 O ATOM 263 NE2 GLN A 32 31.041 -14.994 -18.476 1.00 72.20 N ATOM 264 HE22 GLN A 32 30.604 -14.069 -18.662 1.00 0.00 H ATOM 265 HE21 GLN A 32 30.568 -15.865 -18.790 1.00 0.00 H ATOM 266 H GLN A 32 35.709 -12.792 -14.912 1.00 0.00 H ATOM 267 N ASN A 33 33.072 -10.765 -17.040 1.00 30.31 N ATOM 268 CA ASN A 33 32.193 -9.749 -16.508 1.00 22.18 C ATOM 269 C ASN A 33 30.764 -10.223 -16.569 1.00 12.28 C ATOM 270 O ASN A 33 30.314 -10.641 -17.622 1.00 10.25 O ATOM 271 CB ASN A 33 32.380 -8.433 -17.271 1.00 27.98 C ATOM 272 CG ASN A 33 33.606 -7.700 -16.824 1.00 24.95 C ATOM 273 OD1 ASN A 33 34.698 -8.290 -16.723 1.00 44.34 O ATOM 274 ND2 ASN A 33 33.441 -6.444 -16.478 1.00 33.87 N ATOM 275 HD22 ASN A 33 32.509 -5.994 -16.581 1.00 0.00 H ATOM 276 HD21 ASN A 33 34.242 -5.899 -16.101 1.00 0.00 H ATOM 277 H ASN A 33 33.078 -10.977 -18.058 1.00 0.00 H ATOM 278 N LEU A 34 30.078 -10.116 -15.436 1.00 8.16 N ATOM 279 CA LEU A 34 28.638 -10.301 -15.321 1.00 19.88 C ATOM 280 C LEU A 34 27.874 -8.974 -15.516 1.00 28.64 C ATOM 281 O LEU A 34 28.019 -8.032 -14.734 1.00 16.56 O ATOM 282 CB LEU A 34 28.334 -10.899 -13.946 1.00 21.16 C ATOM 283 CG LEU A 34 26.850 -11.029 -13.617 1.00 18.20 C ATOM 284 CD1 LEU A 34 26.184 -11.836 -14.665 1.00 15.07 C ATOM 285 CD2 LEU A 34 26.696 -11.694 -12.281 1.00 20.30 C ATOM 286 H LEU A 34 30.606 -9.884 -14.571 1.00 0.00 H ATOM 287 N VAL A 35 27.018 -8.911 -16.519 1.00 23.42 N ATOM 288 CA VAL A 35 26.397 -7.655 -16.892 1.00 21.30 C ATOM 289 C VAL A 35 24.956 -7.607 -16.408 1.00 27.94 C ATOM 290 O VAL A 35 24.108 -8.369 -16.891 1.00 32.66 O ATOM 291 CB VAL A 35 26.451 -7.440 -18.404 1.00 25.79 C ATOM 292 CG1 VAL A 35 25.746 -6.137 -18.771 1.00 17.04 C ATOM 293 CG2 VAL A 35 27.892 -7.448 -18.850 1.00 15.93 C ATOM 294 H VAL A 35 26.786 -9.775 -17.049 1.00 0.00 H ATOM 295 N VAL A 36 24.650 -6.662 -15.524 1.00 15.56 N ATOM 296 CA VAL A 36 23.260 -6.371 -15.158 1.00 24.59 C ATOM 297 C VAL A 36 22.823 -5.090 -15.851 1.00 15.02 C ATOM 298 O VAL A 36 23.230 -3.986 -15.468 1.00 24.43 O ATOM 299 CB VAL A 36 23.075 -6.260 -13.646 1.00 17.58 C ATOM 300 CG1 VAL A 36 21.566 -6.226 -13.308 1.00 29.39 C ATOM 301 CG2 VAL A 36 23.804 -7.410 -12.952 1.00 30.09 C ATOM 302 H VAL A 36 25.416 -6.115 -15.081 1.00 0.00 H ATOM 303 N ASP A 37 21.958 -5.201 -16.833 1.00 25.03 N ATOM 304 CA ASP A 37 21.566 -4.040 -17.618 1.00 32.70 C ATOM 305 C ASP A 37 20.149 -3.610 -17.240 1.00 26.79 C ATOM 306 O ASP A 37 19.172 -4.232 -17.667 1.00 12.48 O ATOM 307 CB ASP A 37 21.674 -4.333 -19.110 1.00 26.21 C ATOM 308 CG ASP A 37 21.388 -3.112 -19.947 1.00 26.98 C ATOM 309 OD1 ASP A 37 21.228 -2.034 -19.332 1.00 26.83 O ATOM 310 OD2 ASP A 37 21.341 -3.214 -21.193 1.00 19.39 O ATOM 311 H ASP A 37 21.548 -6.131 -17.053 1.00 0.00 H ATOM 312 N LEU A 38 20.030 -2.521 -16.475 1.00 31.81 N ATOM 313 CA LEU A 38 18.703 -1.998 -16.114 1.00 27.01 C ATOM 314 C LEU A 38 18.097 -1.080 -17.171 1.00 22.30 C ATOM 315 O LEU A 38 16.936 -0.656 -17.037 1.00 25.32 O ATOM 316 CB LEU A 38 18.755 -1.257 -14.774 1.00 11.64 C ATOM 317 CG LEU A 38 19.126 -2.065 -13.523 1.00 11.56 C ATOM 318 CD1 LEU A 38 18.268 -3.312 -13.404 1.00 19.56 C ATOM 319 CD2 LEU A 38 20.610 -2.478 -13.497 1.00 22.80 C ATOM 320 H LEU A 38 20.884 -2.038 -16.131 1.00 0.00 H ATOM 321 N SER A 39 18.831 -0.753 -18.219 1.00 28.51 N ATOM 322 CA SER A 39 18.248 0.091 -19.247 1.00 28.66 C ATOM 323 C SER A 39 17.212 -0.634 -20.076 1.00 19.84 C ATOM 324 O SER A 39 16.651 -0.023 -20.988 1.00 15.95 O ATOM 325 CB SER A 39 19.309 0.604 -20.202 1.00 32.13 C ATOM 326 OG SER A 39 19.514 -0.337 -21.226 1.00 31.00 O ATOM 327 HG SER A 39 19.813 -1.194 -20.830 1.00 0.00 H ATOM 328 H SER A 39 19.810 -1.094 -18.307 1.00 0.00 H ATOM 329 N THR A 40 17.075 -1.950 -19.889 1.00 16.78 N ATOM 330 CA THR A 40 15.978 -2.717 -20.438 1.00 11.30 C ATOM 331 C THR A 40 14.841 -2.874 -19.441 1.00 6.95 C ATOM 332 O THR A 40 13.745 -3.284 -19.832 1.00 22.68 O ATOM 333 CB THR A 40 16.459 -4.132 -20.883 1.00 24.62 C ATOM 334 OG1 THR A 40 17.073 -4.800 -19.787 1.00 32.73 O ATOM 335 CG2 THR A 40 17.442 -4.080 -21.969 1.00 13.55 C ATOM 336 HG1 THR A 40 17.376 -5.697 -20.076 1.00 0.00 H ATOM 337 H THR A 40 17.791 -2.447 -19.322 1.00 0.00 H ATOM 338 N GLN A 41 15.092 -2.629 -18.161 1.00 12.56 N ATOM 339 CA GLN A 41 14.080 -2.846 -17.136 1.00 20.83 C ATOM 340 C GLN A 41 13.396 -1.581 -16.641 1.00 20.06 C ATOM 341 O GLN A 41 12.299 -1.691 -16.107 1.00 8.16 O ATOM 342 CB GLN A 41 14.686 -3.541 -15.906 1.00 19.72 C ATOM 343 CG GLN A 41 15.349 -4.906 -16.199 1.00 39.92 C ATOM 344 CD GLN A 41 14.337 -5.978 -16.492 1.00 21.29 C ATOM 345 OE1 GLN A 41 13.930 -6.147 -17.636 1.00 28.47 O ATOM 346 NE2 GLN A 41 13.900 -6.689 -15.451 1.00 12.98 N ATOM 347 HE22 GLN A 41 14.279 -6.505 -14.500 1.00 0.00 H ATOM 348 HE21 GLN A 41 13.181 -7.427 -15.591 1.00 0.00 H ATOM 349 H GLN A 41 16.030 -2.275 -17.884 1.00 0.00 H ATOM 350 N ILE A 42 14.032 -0.407 -16.739 1.00 12.69 N ATOM 351 CA ILE A 42 13.604 0.781 -16.003 1.00 19.79 C ATOM 352 C ILE A 42 13.468 1.900 -17.024 1.00 25.81 C ATOM 353 O ILE A 42 14.408 2.164 -17.789 1.00 12.45 O ATOM 354 CB ILE A 42 14.554 1.196 -14.866 1.00 6.74 C ATOM 355 CG1 ILE A 42 14.697 0.114 -13.797 1.00 7.47 C ATOM 356 CG2 ILE A 42 14.026 2.413 -14.070 1.00 8.89 C ATOM 357 CD1 ILE A 42 15.849 0.314 -12.753 1.00 16.81 C ATOM 358 H ILE A 42 14.862 -0.338 -17.362 1.00 0.00 H ATOM 359 N PHE A 43 12.270 2.492 -17.083 1.00 23.99 N ATOM 360 CA PHE A 43 11.930 3.589 -17.990 1.00 31.32 C ATOM 361 C PHE A 43 11.339 4.766 -17.215 1.00 24.78 C ATOM 362 O PHE A 43 10.841 4.633 -16.089 1.00 12.58 O ATOM 363 CB PHE A 43 10.951 3.139 -19.094 1.00 28.71 C ATOM 364 CG PHE A 43 11.427 1.939 -19.877 1.00 27.65 C ATOM 365 CD1 PHE A 43 11.327 0.647 -19.342 1.00 24.36 C ATOM 366 CD2 PHE A 43 12.001 2.100 -21.122 1.00 24.72 C ATOM 367 CE1 PHE A 43 11.796 -0.457 -20.052 1.00 21.09 C ATOM 368 CE2 PHE A 43 12.447 1.006 -21.848 1.00 24.91 C ATOM 369 CZ PHE A 43 12.361 -0.281 -21.299 1.00 16.45 C ATOM 370 H PHE A 43 11.529 2.149 -16.440 1.00 0.00 H ATOM 371 N CYS A 44 11.467 5.944 -17.814 1.00 27.66 N ATOM 372 CA CYS A 44 10.963 7.164 -17.211 1.00 45.21 C ATOM 373 C CYS A 44 10.580 8.147 -18.304 1.00 29.33 C ATOM 374 O CYS A 44 11.047 8.066 -19.443 1.00 14.80 O ATOM 375 CB CYS A 44 11.984 7.800 -16.273 1.00 42.76 C ATOM 376 SG CYS A 44 13.606 7.036 -16.333 1.00 37.92 S ATOM 377 H CYS A 44 11.940 5.994 -18.739 1.00 0.00 H ATOM 378 N HIS A 45 9.723 9.082 -17.937 1.00 21.17 N ATOM 379 CA HIS A 45 9.318 10.119 -18.870 1.00 16.39 C ATOM 380 C HIS A 45 9.065 11.412 -18.121 1.00 14.17 C ATOM 381 O HIS A 45 8.834 11.440 -16.900 1.00 11.64 O ATOM 382 CB HIS A 45 8.080 9.739 -19.650 1.00 30.85 C ATOM 383 CG HIS A 45 6.846 9.774 -18.827 1.00 21.83 C ATOM 384 ND1 HIS A 45 6.454 8.714 -18.045 1.00 23.54 N ATOM 385 CD2 HIS A 45 5.938 10.760 -18.619 1.00 20.01 C ATOM 386 CE1 HIS A 45 5.336 9.029 -17.413 1.00 34.55 C ATOM 387 NE2 HIS A 45 5.000 10.263 -17.748 1.00 31.54 N ATOM 388 H HIS A 45 9.335 9.076 -16.972 1.00 0.00 H ATOM 389 N ASN A 46 9.070 12.480 -18.907 1.00 11.70 N ATOM 390 CA ASN A 46 8.832 13.842 -18.434 1.00 9.80 C ATOM 391 C ASN A 46 7.363 14.148 -18.719 1.00 7.03 C ATOM 392 O ASN A 46 6.941 14.001 -19.865 1.00 6.29 O ATOM 393 CB ASN A 46 9.744 14.804 -19.182 1.00 14.60 C ATOM 394 CG ASN A 46 9.554 16.304 -18.800 1.00 30.61 C ATOM 395 OD1 ASN A 46 8.428 16.827 -18.536 1.00 10.54 O ATOM 396 ND2 ASN A 46 10.701 17.005 -18.781 1.00 12.24 N ATOM 397 HD22 ASN A 46 11.601 16.535 -19.004 1.00 0.00 H ATOM 398 HD21 ASN A 46 10.688 18.017 -18.543 1.00 0.00 H ATOM 399 H ASN A 46 9.254 12.340 -19.921 1.00 0.00 H ATOM 400 N ASP A 47 6.590 14.534 -17.684 1.00 9.49 N ATOM 401 CA ASP A 47 5.133 14.803 -17.842 1.00 12.70 C ATOM 402 C ASP A 47 4.751 16.118 -18.496 1.00 13.66 C ATOM 403 O ASP A 47 3.559 16.302 -18.858 1.00 1.93 O ATOM 404 CB ASP A 47 4.429 14.779 -16.501 1.00 2.15 C ATOM 405 CG ASP A 47 4.102 13.388 -16.116 1.00 18.38 C ATOM 406 OD1 ASP A 47 3.561 12.706 -17.017 1.00 17.43 O ATOM 407 OD2 ASP A 47 4.471 12.958 -14.999 1.00 24.81 O ATOM 408 H ASP A 47 7.024 14.648 -16.746 1.00 0.00 H ATOM 409 N TYR A 48 5.693 17.022 -18.630 1.00 4.42 N ATOM 410 CA TYR A 48 5.380 18.378 -19.082 1.00 17.51 C ATOM 411 C TYR A 48 6.601 18.903 -19.818 1.00 14.96 C ATOM 412 O TYR A 48 7.213 19.900 -19.419 1.00 8.82 O ATOM 413 CB TYR A 48 4.989 19.256 -17.891 1.00 15.56 C ATOM 414 CG TYR A 48 4.285 20.574 -18.244 1.00 19.10 C ATOM 415 CD1 TYR A 48 3.905 20.862 -19.542 1.00 11.88 C ATOM 416 CD2 TYR A 48 4.025 21.534 -17.263 1.00 19.20 C ATOM 417 CE1 TYR A 48 3.305 22.020 -19.861 1.00 13.68 C ATOM 418 CE2 TYR A 48 3.390 22.754 -17.582 1.00 20.18 C ATOM 419 CZ TYR A 48 3.050 22.994 -18.885 1.00 19.51 C ATOM 420 OH TYR A 48 2.425 24.180 -19.235 1.00 11.83 O ATOM 421 HH TYR A 48 2.253 24.186 -20.210 1.00 0.00 H ATOM 422 H TYR A 48 6.678 16.770 -18.411 1.00 0.00 H ATOM 423 N PRO A 49 7.012 18.214 -20.878 1.00 28.37 N ATOM 424 CA PRO A 49 8.249 18.612 -21.583 1.00 16.08 C ATOM 425 C PRO A 49 8.122 19.947 -22.264 1.00 25.27 C ATOM 426 O PRO A 49 9.138 20.548 -22.654 1.00 16.20 O ATOM 427 CB PRO A 49 8.455 17.470 -22.583 1.00 18.24 C ATOM 428 CG PRO A 49 7.026 16.825 -22.733 1.00 14.50 C ATOM 429 CD PRO A 49 6.438 16.953 -21.376 1.00 16.44 C ATOM 430 N GLU A 50 6.883 20.402 -22.450 1.00 13.51 N ATOM 431 CA GLU A 50 6.624 21.693 -23.051 1.00 9.34 C ATOM 432 C GLU A 50 7.235 22.795 -22.223 1.00 7.75 C ATOM 433 O GLU A 50 7.580 23.848 -22.752 1.00 10.45 O ATOM 434 CB GLU A 50 5.107 21.903 -23.157 1.00 17.85 C ATOM 435 CG GLU A 50 4.418 20.963 -24.072 1.00 9.22 C ATOM 436 CD GLU A 50 4.224 19.511 -23.530 1.00 12.37 C ATOM 437 OE1 GLU A 50 4.362 19.166 -22.297 1.00 3.39 O ATOM 438 OE2 GLU A 50 3.856 18.728 -24.422 1.00 9.19 O ATOM 439 H GLU A 50 6.079 19.812 -22.155 1.00 0.00 H ATOM 440 N THR A 51 7.331 22.600 -20.917 1.00 11.66 N ATOM 441 CA THR A 51 7.676 23.686 -20.020 1.00 12.57 C ATOM 442 C THR A 51 8.786 23.361 -19.042 1.00 21.09 C ATOM 443 O THR A 51 9.420 24.283 -18.510 1.00 18.21 O ATOM 444 CB THR A 51 6.432 24.095 -19.227 1.00 18.73 C ATOM 445 OG1 THR A 51 5.496 24.578 -20.171 1.00 13.13 O ATOM 446 CG2 THR A 51 6.719 25.144 -18.159 1.00 28.53 C ATOM 447 HG1 THR A 51 4.670 24.856 -19.702 1.00 0.00 H ATOM 448 H THR A 51 7.156 21.652 -20.528 1.00 0.00 H ATOM 449 N ILE A 52 9.028 22.109 -18.769 1.00 12.20 N ATOM 450 CA ILE A 52 9.839 21.717 -17.629 1.00 9.23 C ATOM 451 C ILE A 52 10.952 20.825 -18.137 1.00 11.40 C ATOM 452 O ILE A 52 10.752 20.004 -19.046 1.00 7.78 O ATOM 453 CB ILE A 52 9.003 21.020 -16.533 1.00 17.28 C ATOM 454 CG1 ILE A 52 7.945 21.993 -15.982 1.00 6.51 C ATOM 455 CG2 ILE A 52 9.885 20.568 -15.367 1.00 17.71 C ATOM 456 CD1 ILE A 52 7.027 21.416 -14.935 1.00 12.61 C ATOM 457 H ILE A 52 8.630 21.371 -19.384 1.00 0.00 H ATOM 458 N THR A 53 12.153 21.074 -17.604 1.00 21.64 N ATOM 459 CA THR A 53 13.292 20.187 -17.735 1.00 10.49 C ATOM 460 C THR A 53 13.433 19.359 -16.460 1.00 5.68 C ATOM 461 O THR A 53 13.597 19.905 -15.354 1.00 5.93 O ATOM 462 CB THR A 53 14.563 20.973 -18.036 1.00 10.99 C ATOM 463 OG1 THR A 53 14.409 21.654 -19.290 1.00 13.09 O ATOM 464 CG2 THR A 53 15.784 19.952 -18.128 1.00 9.18 C ATOM 465 HG1 THR A 53 13.639 22.274 -19.235 1.00 0.00 H ATOM 466 H THR A 53 12.277 21.955 -17.065 1.00 0.00 H ATOM 467 N ASP A 54 13.351 18.037 -16.630 1.00 7.81 N ATOM 468 CA ASP A 54 13.601 17.079 -15.556 1.00 2.80 C ATOM 469 C ASP A 54 15.097 16.743 -15.634 1.00 3.18 C ATOM 470 O ASP A 54 15.646 16.623 -16.725 1.00 1.89 O ATOM 471 CB ASP A 54 12.703 15.823 -15.696 1.00 14.04 C ATOM 472 CG ASP A 54 11.189 16.160 -15.458 1.00 11.58 C ATOM 473 OD1 ASP A 54 10.947 17.064 -14.688 1.00 8.63 O ATOM 474 OD2 ASP A 54 10.292 15.549 -16.047 1.00 12.44 O ATOM 475 H ASP A 54 13.097 17.673 -17.571 1.00 0.00 H ATOM 476 N TYR A 55 15.748 16.662 -14.487 1.00 2.00 N ATOM 477 CA TYR A 55 17.165 16.299 -14.419 1.00 14.06 C ATOM 478 C TYR A 55 17.279 15.035 -13.573 1.00 5.92 C ATOM 479 O TYR A 55 16.693 14.983 -12.481 1.00 13.17 O ATOM 480 CB TYR A 55 18.022 17.417 -13.814 1.00 5.82 C ATOM 481 CG TYR A 55 17.911 18.742 -14.513 1.00 11.50 C ATOM 482 CD1 TYR A 55 16.891 19.646 -14.163 1.00 16.68 C ATOM 483 CD2 TYR A 55 18.792 19.097 -15.527 1.00 20.99 C ATOM 484 CE1 TYR A 55 16.775 20.884 -14.801 1.00 13.41 C ATOM 485 CE2 TYR A 55 18.674 20.323 -16.191 1.00 17.67 C ATOM 486 CZ TYR A 55 17.644 21.210 -15.814 1.00 14.37 C ATOM 487 OH TYR A 55 17.494 22.422 -16.425 1.00 11.17 O ATOM 488 HH TYR A 55 16.723 22.898 -16.027 1.00 0.00 H ATOM 489 H TYR A 55 15.237 16.863 -13.604 1.00 0.00 H ATOM 490 N VAL A 56 18.036 14.038 -14.066 1.00 5.86 N ATOM 491 CA VAL A 56 18.048 12.665 -13.479 1.00 2.03 C ATOM 492 C VAL A 56 19.490 12.191 -13.239 1.00 2.05 C ATOM 493 O VAL A 56 20.239 11.944 -14.193 1.00 8.90 O ATOM 494 CB VAL A 56 17.288 11.679 -14.364 1.00 5.23 C ATOM 495 CG1 VAL A 56 17.381 10.248 -13.795 1.00 10.92 C ATOM 496 CG2 VAL A 56 15.817 12.162 -14.507 1.00 17.43 C ATOM 497 H VAL A 56 18.639 14.232 -14.891 1.00 0.00 H ATOM 498 N THR A 57 19.843 12.020 -11.970 1.00 7.05 N ATOM 499 CA THR A 57 21.082 11.355 -11.589 1.00 2.16 C ATOM 500 C THR A 57 20.837 9.932 -11.079 1.00 17.61 C ATOM 501 O THR A 57 19.737 9.556 -10.646 1.00 12.77 O ATOM 502 CB THR A 57 21.812 12.067 -10.470 1.00 13.86 C ATOM 503 OG1 THR A 57 21.068 11.809 -9.271 1.00 9.24 O ATOM 504 CG2 THR A 57 22.008 13.659 -10.739 1.00 11.51 C ATOM 505 HG1 THR A 57 21.510 12.257 -8.507 1.00 0.00 H ATOM 506 H THR A 57 19.213 12.373 -11.222 1.00 0.00 H ATOM 507 N LEU A 58 21.916 9.151 -11.090 1.00 4.79 N ATOM 508 CA LEU A 58 22.092 8.096 -10.108 1.00 19.04 C ATOM 509 C LEU A 58 22.687 8.776 -8.898 1.00 17.12 C ATOM 510 O LEU A 58 23.842 9.196 -8.924 1.00 20.71 O ATOM 511 CB LEU A 58 23.015 6.979 -10.613 1.00 18.46 C ATOM 512 CG LEU A 58 23.348 5.811 -9.657 1.00 22.18 C ATOM 513 CD1 LEU A 58 22.079 4.999 -9.329 1.00 20.05 C ATOM 514 CD2 LEU A 58 24.437 4.795 -10.166 1.00 18.52 C ATOM 515 H LEU A 58 22.646 9.300 -11.816 1.00 0.00 H ATOM 516 N GLN A 59 21.918 8.887 -7.847 1.00 6.51 N ATOM 517 CA GLN A 59 22.403 9.492 -6.627 1.00 16.78 C ATOM 518 C GLN A 59 23.265 8.537 -5.806 1.00 26.89 C ATOM 519 O GLN A 59 24.281 8.968 -5.242 1.00 14.30 O ATOM 520 CB GLN A 59 21.223 9.977 -5.799 1.00 26.05 C ATOM 521 CG GLN A 59 21.629 10.952 -4.701 1.00 34.24 C ATOM 522 CD GLN A 59 20.477 11.346 -3.794 1.00 48.73 C ATOM 523 OE1 GLN A 59 19.356 10.829 -3.907 1.00 41.39 O ATOM 524 NE2 GLN A 59 20.756 12.258 -2.867 1.00 60.00 N ATOM 525 HE22 GLN A 59 21.711 12.665 -2.809 1.00 0.00 H ATOM 526 HE21 GLN A 59 20.019 12.564 -2.200 1.00 0.00 H ATOM 527 H GLN A 59 20.941 8.534 -7.889 1.00 0.00 H ATOM 528 N ARG A 60 22.845 7.260 -5.697 1.00 15.60 N ATOM 529 CA ARG A 60 23.534 6.211 -4.949 1.00 25.24 C ATOM 530 C ARG A 60 23.289 4.850 -5.578 1.00 15.26 C ATOM 531 O ARG A 60 22.144 4.465 -5.841 1.00 12.65 O ATOM 532 CB ARG A 60 23.079 6.154 -3.487 1.00 35.66 C ATOM 533 CG ARG A 60 23.559 4.905 -2.715 1.00 36.79 C ATOM 534 CD ARG A 60 25.041 4.792 -2.594 1.00 39.05 C ATOM 535 NE ARG A 60 25.465 3.459 -2.166 1.00 51.94 N ATOM 536 CZ ARG A 60 26.666 3.170 -1.656 1.00 47.35 C ATOM 537 NH1 ARG A 60 27.565 4.135 -1.469 1.00 47.17 N ATOM 538 NH2 ARG A 60 26.965 1.917 -1.306 1.00 40.11 N ATOM 539 HE ARG A 60 24.783 2.680 -2.266 1.00 0.00 H ATOM 540 HH12 ARG A 60 28.499 3.906 -1.072 1.00 0.00 H ATOM 541 HH11 ARG A 60 27.333 5.117 -1.720 1.00 0.00 H ATOM 542 HH22 ARG A 60 27.901 1.697 -0.910 1.00 0.00 H ATOM 543 HH21 ARG A 60 26.262 1.161 -1.430 1.00 0.00 H ATOM 544 H ARG A 60 21.962 7.002 -6.183 1.00 0.00 H ATOM 545 N GLY A 61 24.370 4.108 -5.765 1.00 19.57 N ATOM 546 CA GLY A 61 24.304 2.715 -6.166 1.00 28.09 C ATOM 547 C GLY A 61 24.847 1.823 -5.093 1.00 22.91 C ATOM 548 O GLY A 61 26.068 1.748 -4.889 1.00 23.22 O ATOM 549 H GLY A 61 25.304 4.541 -5.619 1.00 0.00 H ATOM 550 N SER A 62 23.963 1.144 -4.386 1.00 18.13 N ATOM 551 CA SER A 62 24.374 0.388 -3.216 1.00 12.49 C ATOM 552 C SER A 62 24.363 -1.124 -3.501 1.00 21.46 C ATOM 553 O SER A 62 23.645 -1.601 -4.385 1.00 9.22 O ATOM 554 CB SER A 62 23.497 0.744 -2.028 1.00 14.50 C ATOM 555 OG SER A 62 23.983 0.132 -0.860 1.00 43.86 O ATOM 556 HG SER A 62 23.982 -0.851 -0.979 1.00 0.00 H ATOM 557 H SER A 62 22.962 1.150 -4.670 1.00 0.00 H ATOM 558 N ALA A 63 25.243 -1.864 -2.807 1.00 24.18 N ATOM 559 CA ALA A 63 25.519 -3.279 -3.075 1.00 8.76 C ATOM 560 C ALA A 63 25.272 -4.098 -1.821 1.00 27.75 C ATOM 561 O ALA A 63 25.558 -3.636 -0.700 1.00 9.33 O ATOM 562 CB ALA A 63 26.964 -3.523 -3.550 1.00 31.29 C ATOM 563 H ALA A 63 25.761 -1.405 -2.031 1.00 0.00 H ATOM 564 N TYR A 64 24.750 -5.325 -2.045 1.00 32.51 N ATOM 565 CA TYR A 64 24.388 -6.275 -1.001 1.00 29.00 C ATOM 566 C TYR A 64 24.770 -7.695 -1.408 1.00 29.83 C ATOM 567 O TYR A 64 25.092 -7.995 -2.564 1.00 13.24 O ATOM 568 CB TYR A 64 22.874 -6.271 -0.686 1.00 33.41 C ATOM 569 CG TYR A 64 22.295 -4.920 -0.302 1.00 24.85 C ATOM 570 CD1 TYR A 64 22.100 -3.941 -1.257 1.00 19.09 C ATOM 571 CD2 TYR A 64 21.971 -4.626 1.004 1.00 27.64 C ATOM 572 CE1 TYR A 64 21.575 -2.702 -0.936 1.00 35.60 C ATOM 573 CE2 TYR A 64 21.449 -3.378 1.348 1.00 39.75 C ATOM 574 CZ TYR A 64 21.254 -2.417 0.356 1.00 39.84 C ATOM 575 OH TYR A 64 20.741 -1.166 0.623 1.00 46.04 O ATOM 576 HH TYR A 64 20.686 -0.647 -0.218 1.00 0.00 H ATOM 577 H TYR A 64 24.596 -5.611 -3.033 1.00 0.00 H ATOM 578 N GLY A 65 24.682 -8.573 -0.419 1.00 36.88 N ATOM 579 CA GLY A 65 24.738 -10.004 -0.641 1.00 44.92 C ATOM 580 C GLY A 65 25.969 -10.404 -1.405 1.00 31.94 C ATOM 581 O GLY A 65 27.069 -9.880 -1.177 1.00 28.60 O ATOM 582 H GLY A 65 24.568 -8.222 0.553 1.00 0.00 H ATOM 583 N GLY A 66 25.769 -11.327 -2.350 1.00 38.63 N ATOM 584 CA GLY A 66 26.843 -11.904 -3.135 1.00 42.85 C ATOM 585 C GLY A 66 27.457 -10.952 -4.121 1.00 32.85 C ATOM 586 O GLY A 66 28.611 -11.156 -4.529 1.00 19.98 O ATOM 587 H GLY A 66 24.796 -11.647 -2.531 1.00 0.00 H ATOM 588 N VAL A 67 26.720 -9.911 -4.517 1.00 42.37 N ATOM 589 CA VAL A 67 27.322 -8.915 -5.394 1.00 30.48 C ATOM 590 C VAL A 67 28.346 -8.107 -4.637 1.00 22.18 C ATOM 591 O VAL A 67 29.375 -7.722 -5.205 1.00 20.74 O ATOM 592 CB VAL A 67 26.255 -8.020 -6.036 1.00 23.56 C ATOM 593 CG1 VAL A 67 26.908 -6.802 -6.610 1.00 27.10 C ATOM 594 CG2 VAL A 67 25.610 -8.791 -7.158 1.00 17.28 C ATOM 595 H VAL A 67 25.733 -9.813 -4.205 1.00 0.00 H ATOM 596 N LEU A 68 28.131 -7.903 -3.334 1.00 34.16 N ATOM 597 CA LEU A 68 29.067 -7.140 -2.509 1.00 33.22 C ATOM 598 C LEU A 68 30.313 -7.946 -2.097 1.00 37.29 C ATOM 599 O LEU A 68 31.390 -7.356 -1.928 1.00 38.95 O ATOM 600 CB LEU A 68 28.334 -6.619 -1.263 1.00 27.29 C ATOM 601 CG LEU A 68 29.129 -5.800 -0.247 1.00 34.78 C ATOM 602 CD1 LEU A 68 29.837 -4.679 -0.942 1.00 27.66 C ATOM 603 CD2 LEU A 68 28.257 -5.240 0.865 1.00 28.74 C ATOM 604 H LEU A 68 27.275 -8.297 -2.895 1.00 0.00 H ATOM 605 N SER A 69 30.214 -9.267 -1.896 1.00 23.94 N ATOM 606 CA SER A 69 31.393 -10.013 -1.432 1.00 40.42 C ATOM 607 C SER A 69 32.170 -10.731 -2.524 1.00 30.12 C ATOM 608 O SER A 69 33.326 -11.089 -2.300 1.00 29.64 O ATOM 609 CB SER A 69 31.023 -11.055 -0.372 1.00 45.76 C ATOM 610 OG SER A 69 30.134 -12.014 -0.894 1.00 57.95 O ATOM 611 HG SER A 69 29.307 -11.564 -1.199 1.00 0.00 H ATOM 612 H SER A 69 29.314 -9.759 -2.066 1.00 0.00 H ATOM 613 N ASN A 70 31.609 -10.977 -3.684 1.00 30.30 N ATOM 614 CA ASN A 70 32.318 -11.804 -4.650 1.00 12.54 C ATOM 615 C ASN A 70 32.677 -11.076 -5.924 1.00 23.46 C ATOM 616 O ASN A 70 33.301 -11.668 -6.810 1.00 20.50 O ATOM 617 CB ASN A 70 31.469 -13.053 -4.940 1.00 23.21 C ATOM 618 CG ASN A 70 31.081 -13.807 -3.639 1.00 29.11 C ATOM 619 OD1 ASN A 70 31.918 -13.970 -2.756 1.00 23.88 O ATOM 620 ND2 ASN A 70 29.800 -14.212 -3.505 1.00 29.91 N ATOM 621 HD22 ASN A 70 29.121 -14.055 -4.277 1.00 0.00 H ATOM 622 HD21 ASN A 70 29.492 -14.681 -2.629 1.00 0.00 H ATOM 623 H ASN A 70 30.672 -10.587 -3.910 1.00 0.00 H ATOM 624 N PHE A 71 32.350 -9.794 -6.037 1.00 24.91 N ATOM 625 CA PHE A 71 32.575 -9.125 -7.300 1.00 20.11 C ATOM 626 C PHE A 71 33.222 -7.762 -7.080 1.00 19.62 C ATOM 627 O PHE A 71 33.053 -7.112 -6.054 1.00 14.57 O ATOM 628 CB PHE A 71 31.260 -8.993 -8.089 1.00 14.53 C ATOM 629 CG PHE A 71 30.632 -10.301 -8.486 1.00 4.90 C ATOM 630 CD1 PHE A 71 29.935 -11.071 -7.574 1.00 10.14 C ATOM 631 CD2 PHE A 71 30.705 -10.735 -9.806 1.00 15.93 C ATOM 632 CE1 PHE A 71 29.337 -12.265 -7.973 1.00 16.10 C ATOM 633 CE2 PHE A 71 30.115 -11.945 -10.198 1.00 11.13 C ATOM 634 CZ PHE A 71 29.420 -12.692 -9.279 1.00 13.90 C ATOM 635 H PHE A 71 31.939 -9.280 -5.232 1.00 0.00 H ATOM 636 N SER A 72 34.017 -7.376 -8.046 1.00 31.12 N ATOM 637 CA SER A 72 34.463 -6.016 -8.177 1.00 30.96 C ATOM 638 C SER A 72 33.564 -5.408 -9.237 1.00 17.96 C ATOM 639 O SER A 72 33.256 -6.065 -10.234 1.00 13.26 O ATOM 640 CB SER A 72 35.931 -5.972 -8.575 1.00 30.64 C ATOM 641 OG SER A 72 36.148 -4.964 -9.539 1.00 54.76 O ATOM 642 HG SER A 72 37.106 -4.948 -9.788 1.00 0.00 H ATOM 643 H SER A 72 34.337 -8.078 -8.743 1.00 0.00 H ATOM 644 N GLY A 73 33.123 -4.183 -9.003 1.00 33.17 N ATOM 645 CA GLY A 73 32.023 -3.614 -9.763 1.00 36.96 C ATOM 646 C GLY A 73 32.316 -2.241 -10.314 1.00 39.33 C ATOM 647 O GLY A 73 33.004 -1.430 -9.683 1.00 26.34 O ATOM 648 H GLY A 73 33.574 -3.614 -8.258 1.00 0.00 H ATOM 649 N THR A 74 31.809 -2.009 -11.527 1.00 42.10 N ATOM 650 CA THR A 74 31.729 -0.718 -12.190 1.00 29.09 C ATOM 651 C THR A 74 30.286 -0.507 -12.651 1.00 24.29 C ATOM 652 O THR A 74 29.605 -1.469 -13.011 1.00 8.76 O ATOM 653 CB THR A 74 32.683 -0.689 -13.371 1.00 17.81 C ATOM 654 OG1 THR A 74 33.990 -0.976 -12.888 1.00 27.93 O ATOM 655 CG2 THR A 74 32.677 0.657 -14.036 1.00 43.13 C ATOM 656 HG1 THR A 74 33.995 -1.871 -12.466 1.00 0.00 H ATOM 657 H THR A 74 31.436 -2.829 -12.046 1.00 0.00 H ATOM 658 N VAL A 75 29.828 0.749 -12.643 1.00 19.45 N ATOM 659 CA VAL A 75 28.472 1.120 -13.067 1.00 8.10 C ATOM 660 C VAL A 75 28.571 2.160 -14.160 1.00 4.71 C ATOM 661 O VAL A 75 29.207 3.203 -13.965 1.00 22.91 O ATOM 662 CB VAL A 75 27.628 1.647 -11.907 1.00 19.96 C ATOM 663 CG1 VAL A 75 28.302 2.848 -11.244 1.00 32.94 C ATOM 664 CG2 VAL A 75 26.277 2.017 -12.404 1.00 25.11 C ATOM 665 H VAL A 75 30.466 1.504 -12.319 1.00 0.00 H ATOM 666 N LYS A 76 28.010 1.855 -15.328 1.00 10.83 N ATOM 667 CA LYS A 76 27.973 2.775 -16.460 1.00 9.80 C ATOM 668 C LYS A 76 26.652 3.562 -16.446 1.00 22.17 C ATOM 669 O LYS A 76 25.588 2.942 -16.590 1.00 14.48 O ATOM 670 CB LYS A 76 28.081 2.009 -17.781 1.00 13.81 C ATOM 671 CG LYS A 76 28.032 2.863 -19.074 1.00 30.12 C ATOM 672 CD LYS A 76 26.716 2.739 -19.882 1.00 50.06 C ATOM 673 CE LYS A 76 26.599 1.365 -20.603 1.00 50.98 C ATOM 674 NZ LYS A 76 25.259 1.054 -21.173 1.00 37.86 N ATOM 675 HZ1 LYS A 76 24.552 1.048 -20.410 1.00 0.00 H ATOM 676 HZ2 LYS A 76 25.006 1.778 -21.876 1.00 0.00 H ATOM 677 HZ3 LYS A 76 25.286 0.120 -21.630 1.00 0.00 H ATOM 678 H LYS A 76 27.577 0.916 -15.439 1.00 0.00 H ATOM 679 N TYR A 77 26.710 4.914 -16.277 1.00 25.18 N ATOM 680 CA TYR A 77 25.530 5.807 -16.334 1.00 23.71 C ATOM 681 C TYR A 77 25.622 6.727 -17.551 1.00 18.97 C ATOM 682 O TYR A 77 26.549 7.539 -17.664 1.00 21.51 O ATOM 683 CB TYR A 77 25.369 6.666 -15.067 1.00 23.93 C ATOM 684 CG TYR A 77 24.021 7.459 -14.996 1.00 16.70 C ATOM 685 CD1 TYR A 77 22.826 6.813 -15.169 1.00 9.11 C ATOM 686 CD2 TYR A 77 23.972 8.836 -14.761 1.00 11.54 C ATOM 687 CE1 TYR A 77 21.616 7.490 -15.143 1.00 26.57 C ATOM 688 CE2 TYR A 77 22.757 9.530 -14.701 1.00 15.34 C ATOM 689 CZ TYR A 77 21.581 8.855 -14.880 1.00 11.25 C ATOM 690 OH TYR A 77 20.342 9.441 -14.845 1.00 24.30 O ATOM 691 HH TYR A 77 20.201 9.859 -13.959 1.00 0.00 H ATOM 692 H TYR A 77 27.640 5.344 -16.097 1.00 0.00 H ATOM 693 N SER A 78 24.670 6.593 -18.457 1.00 28.38 N ATOM 694 CA SER A 78 24.571 7.469 -19.619 1.00 46.52 C ATOM 695 C SER A 78 25.927 7.680 -20.281 1.00 39.45 C ATOM 696 O SER A 78 26.267 8.788 -20.711 1.00 30.60 O ATOM 697 CB SER A 78 23.953 8.824 -19.250 1.00 41.86 C ATOM 698 OG SER A 78 23.508 9.473 -20.422 1.00 20.43 O ATOM 699 HG SER A 78 24.275 9.615 -21.031 1.00 0.00 H ATOM 700 H SER A 78 23.966 5.836 -18.338 1.00 0.00 H ATOM 701 N GLY A 79 26.705 6.609 -20.381 1.00 24.25 N ATOM 702 CA GLY A 79 27.871 6.641 -21.225 1.00 21.51 C ATOM 703 C GLY A 79 29.188 6.863 -20.501 1.00 33.42 C ATOM 704 O GLY A 79 30.231 6.924 -21.162 1.00 39.91 O ATOM 705 H GLY A 79 26.472 5.746 -19.849 1.00 0.00 H ATOM 706 N SER A 80 29.175 6.987 -19.176 1.00 28.54 N ATOM 707 CA SER A 80 30.384 7.140 -18.386 1.00 25.56 C ATOM 708 C SER A 80 30.407 6.076 -17.300 1.00 20.28 C ATOM 709 O SER A 80 29.367 5.557 -16.896 1.00 19.92 O ATOM 710 CB SER A 80 30.474 8.542 -17.765 1.00 32.54 C ATOM 711 OG SER A 80 30.368 9.520 -18.776 1.00 27.37 O ATOM 712 HG SER A 80 30.427 10.421 -18.370 1.00 0.00 H ATOM 713 H SER A 80 28.259 6.974 -18.685 1.00 0.00 H ATOM 714 N SER A 81 31.609 5.759 -16.833 1.00 24.81 N ATOM 715 CA SER A 81 31.833 4.680 -15.884 1.00 27.50 C ATOM 716 C SER A 81 32.230 5.252 -14.532 1.00 22.77 C ATOM 717 O SER A 81 32.777 6.345 -14.415 1.00 31.16 O ATOM 718 CB SER A 81 32.901 3.695 -16.370 1.00 24.53 C ATOM 719 OG SER A 81 32.525 3.067 -17.586 1.00 23.00 O ATOM 720 HG SER A 81 32.395 3.756 -18.285 1.00 0.00 H ATOM 721 H SER A 81 32.429 6.308 -17.161 1.00 0.00 H ATOM 722 N TYR A 82 31.946 4.485 -13.508 1.00 11.20 N ATOM 723 CA TYR A 82 32.086 4.920 -12.140 1.00 2.31 C ATOM 724 C TYR A 82 32.232 3.679 -11.296 1.00 16.98 C ATOM 725 O TYR A 82 31.872 2.587 -11.736 1.00 29.07 O ATOM 726 CB TYR A 82 30.857 5.736 -11.666 1.00 29.94 C ATOM 727 CG TYR A 82 30.449 6.918 -12.533 1.00 33.07 C ATOM 728 CD1 TYR A 82 29.613 6.747 -13.606 1.00 24.10 C ATOM 729 CD2 TYR A 82 30.895 8.206 -12.253 1.00 39.48 C ATOM 730 CE1 TYR A 82 29.237 7.808 -14.391 1.00 28.65 C ATOM 731 CE2 TYR A 82 30.517 9.286 -13.038 1.00 31.89 C ATOM 732 CZ TYR A 82 29.691 9.069 -14.112 1.00 34.50 C ATOM 733 OH TYR A 82 29.300 10.103 -14.925 1.00 32.71 O ATOM 734 HH TYR A 82 28.710 9.754 -15.640 1.00 0.00 H ATOM 735 H TYR A 82 31.604 3.520 -13.690 1.00 0.00 H ATOM 736 N PRO A 83 32.705 3.810 -10.073 1.00 23.36 N ATOM 737 CA PRO A 83 32.779 2.640 -9.210 1.00 36.27 C ATOM 738 C PRO A 83 31.395 2.182 -8.780 1.00 39.50 C ATOM 739 O PRO A 83 30.479 2.975 -8.538 1.00 24.50 O ATOM 740 CB PRO A 83 33.607 3.134 -8.022 1.00 38.29 C ATOM 741 CG PRO A 83 33.436 4.603 -8.034 1.00 37.58 C ATOM 742 CD PRO A 83 33.338 4.986 -9.460 1.00 21.98 C ATOM 743 N PHE A 84 31.258 0.877 -8.657 1.00 27.98 N ATOM 744 CA PHE A 84 30.046 0.336 -8.070 1.00 34.14 C ATOM 745 C PHE A 84 30.396 -0.702 -7.027 1.00 29.83 C ATOM 746 O PHE A 84 30.936 -1.726 -7.378 1.00 22.90 O ATOM 747 CB PHE A 84 29.148 -0.293 -9.109 1.00 36.33 C ATOM 748 CG PHE A 84 27.943 -0.932 -8.510 1.00 35.93 C ATOM 749 CD1 PHE A 84 26.851 -0.175 -8.129 1.00 36.19 C ATOM 750 CD2 PHE A 84 27.918 -2.292 -8.275 1.00 20.08 C ATOM 751 CE1 PHE A 84 25.765 -0.781 -7.556 1.00 44.75 C ATOM 752 CE2 PHE A 84 26.842 -2.878 -7.707 1.00 17.70 C ATOM 753 CZ PHE A 84 25.773 -2.151 -7.342 1.00 22.73 C ATOM 754 H PHE A 84 32.014 0.239 -8.979 1.00 0.00 H ATOM 755 N PRO A 85 30.028 -0.467 -5.760 1.00 18.30 N ATOM 756 CA PRO A 85 29.161 0.580 -5.218 1.00 30.26 C ATOM 757 C PRO A 85 29.698 1.978 -5.455 1.00 33.52 C ATOM 758 O PRO A 85 30.913 2.113 -5.520 1.00 29.12 O ATOM 759 CB PRO A 85 29.157 0.301 -3.721 1.00 39.52 C ATOM 760 CG PRO A 85 29.693 -0.971 -3.548 1.00 32.27 C ATOM 761 CD PRO A 85 30.617 -1.249 -4.682 1.00 20.80 C ATOM 762 N THR A 86 28.813 2.973 -5.541 1.00 19.69 N ATOM 763 CA THR A 86 29.170 4.297 -6.013 1.00 17.27 C ATOM 764 C THR A 86 29.827 5.100 -4.905 1.00 21.50 C ATOM 765 O THR A 86 29.733 4.767 -3.720 1.00 21.26 O ATOM 766 CB THR A 86 27.938 5.037 -6.529 1.00 17.98 C ATOM 767 OG1 THR A 86 26.883 4.926 -5.571 1.00 18.77 O ATOM 768 CG2 THR A 86 27.473 4.449 -7.846 1.00 18.85 C ATOM 769 HG1 THR A 86 26.663 3.971 -5.434 1.00 0.00 H ATOM 770 H THR A 86 27.829 2.792 -5.258 1.00 0.00 H ATOM 771 N THR A 87 30.500 6.175 -5.318 1.00 32.76 N ATOM 772 CA THR A 87 31.273 7.059 -4.446 1.00 37.36 C ATOM 773 C THR A 87 30.648 8.440 -4.284 1.00 36.54 C ATOM 774 O THR A 87 30.837 9.097 -3.253 1.00 26.43 O ATOM 775 CB THR A 87 32.702 7.224 -5.005 1.00 25.13 C ATOM 776 OG1 THR A 87 33.339 5.947 -5.025 1.00 38.92 O ATOM 777 CG2 THR A 87 33.527 8.187 -4.186 1.00 34.02 C ATOM 778 HG1 THR A 87 33.378 5.585 -4.105 1.00 0.00 H ATOM 779 H THR A 87 30.473 6.401 -6.333 1.00 0.00 H ATOM 780 N SER A 88 29.949 8.910 -5.300 1.00 27.45 N ATOM 781 CA SER A 88 29.189 10.138 -5.180 1.00 37.96 C ATOM 782 C SER A 88 28.082 10.060 -6.204 1.00 32.66 C ATOM 783 O SER A 88 28.083 9.185 -7.071 1.00 23.19 O ATOM 784 CB SER A 88 30.070 11.359 -5.430 1.00 49.50 C ATOM 785 OG SER A 88 30.547 11.313 -6.768 1.00 52.03 O ATOM 786 HG SER A 88 29.778 11.320 -7.392 1.00 0.00 H ATOM 787 H SER A 88 29.944 8.391 -6.201 1.00 0.00 H ATOM 788 N GLU A 89 27.178 11.034 -6.132 1.00 18.24 N ATOM 789 CA GLU A 89 26.148 11.183 -7.136 1.00 14.91 C ATOM 790 C GLU A 89 26.818 11.371 -8.490 1.00 17.54 C ATOM 791 O GLU A 89 27.924 11.903 -8.587 1.00 17.14 O ATOM 792 CB GLU A 89 25.223 12.359 -6.759 1.00 25.92 C ATOM 793 CG GLU A 89 24.095 12.659 -7.767 1.00 33.51 C ATOM 794 CD GLU A 89 23.006 13.608 -7.221 1.00 33.04 C ATOM 795 OE1 GLU A 89 23.148 14.091 -6.082 1.00 27.27 O ATOM 796 OE2 GLU A 89 22.004 13.866 -7.935 1.00 21.94 O ATOM 797 H GLU A 89 27.213 11.703 -5.336 1.00 0.00 H ATOM 798 N THR A 90 26.174 10.869 -9.528 1.00 9.61 N ATOM 799 CA THR A 90 26.588 11.089 -10.897 1.00 6.23 C ATOM 800 C THR A 90 26.138 12.465 -11.397 1.00 22.28 C ATOM 801 O THR A 90 25.301 13.111 -10.778 1.00 13.17 O ATOM 802 CB THR A 90 25.943 10.033 -11.757 1.00 14.64 C ATOM 803 OG1 THR A 90 24.514 10.215 -11.682 1.00 17.21 O ATOM 804 CG2 THR A 90 26.311 8.623 -11.252 1.00 23.37 C ATOM 805 HG1 THR A 90 24.219 10.120 -10.742 1.00 0.00 H ATOM 806 H THR A 90 25.329 10.288 -9.353 1.00 0.00 H ATOM 807 N PRO A 91 26.615 12.894 -12.570 1.00 17.24 N ATOM 808 CA PRO A 91 26.000 14.035 -13.253 1.00 20.77 C ATOM 809 C PRO A 91 24.534 13.785 -13.591 1.00 12.01 C ATOM 810 O PRO A 91 24.102 12.660 -13.793 1.00 14.09 O ATOM 811 CB PRO A 91 26.828 14.181 -14.534 1.00 17.27 C ATOM 812 CG PRO A 91 28.073 13.345 -14.308 1.00 29.49 C ATOM 813 CD PRO A 91 27.690 12.294 -13.368 1.00 31.43 C ATOM 814 N ARG A 92 23.811 14.882 -13.733 1.00 13.59 N ATOM 815 CA ARG A 92 22.398 14.907 -14.095 1.00 3.87 C ATOM 816 C ARG A 92 22.172 14.626 -15.560 1.00 5.42 C ATOM 817 O ARG A 92 22.828 15.169 -16.422 1.00 14.85 O ATOM 818 CB ARG A 92 21.797 16.277 -13.752 1.00 4.59 C ATOM 819 CG ARG A 92 21.614 16.486 -12.247 1.00 13.15 C ATOM 820 CD ARG A 92 21.135 17.883 -11.899 1.00 30.89 C ATOM 821 NE ARG A 92 20.838 17.931 -10.474 1.00 40.75 N ATOM 822 CZ ARG A 92 20.281 18.949 -9.833 1.00 24.06 C ATOM 823 NH1 ARG A 92 19.935 20.069 -10.476 1.00 27.52 N ATOM 824 NH2 ARG A 92 20.048 18.834 -8.537 1.00 17.88 N ATOM 825 HE ARG A 92 21.085 17.093 -9.910 1.00 0.00 H ATOM 826 HH12 ARG A 92 19.499 20.855 -9.953 1.00 0.00 H ATOM 827 HH11 ARG A 92 20.102 20.154 -11.499 1.00 0.00 H ATOM 828 HH22 ARG A 92 19.612 19.621 -8.015 1.00 0.00 H ATOM 829 HH21 ARG A 92 20.301 17.957 -8.039 1.00 0.00 H ATOM 830 H ARG A 92 24.284 15.795 -13.575 1.00 0.00 H ATOM 831 N VAL A 93 21.205 13.787 -15.832 1.00 11.36 N ATOM 832 CA VAL A 93 20.711 13.529 -17.172 1.00 9.13 C ATOM 833 C VAL A 93 19.328 14.164 -17.334 1.00 6.03 C ATOM 834 O VAL A 93 18.520 14.225 -16.392 1.00 4.68 O ATOM 835 CB VAL A 93 20.662 12.000 -17.382 1.00 11.76 C ATOM 836 CG1 VAL A 93 19.910 11.635 -18.660 1.00 16.67 C ATOM 837 CG2 VAL A 93 22.084 11.442 -17.483 1.00 32.09 C ATOM 838 H VAL A 93 20.765 13.275 -15.041 1.00 0.00 H ATOM 839 N VAL A 94 19.043 14.580 -18.545 1.00 16.63 N ATOM 840 CA VAL A 94 17.832 15.322 -18.844 1.00 21.97 C ATOM 841 C VAL A 94 16.804 14.376 -19.467 1.00 25.20 C ATOM 842 O VAL A 94 17.088 13.709 -20.467 1.00 12.79 O ATOM 843 CB VAL A 94 18.100 16.517 -19.776 1.00 5.83 C ATOM 844 CG1 VAL A 94 16.826 16.871 -20.542 1.00 11.36 C ATOM 845 CG2 VAL A 94 18.537 17.679 -18.984 1.00 19.75 C ATOM 846 H VAL A 94 19.708 14.371 -19.317 1.00 0.00 H ATOM 847 N TYR A 95 15.598 14.362 -18.902 1.00 22.36 N ATOM 848 CA TYR A 95 14.416 13.780 -19.544 1.00 17.36 C ATOM 849 C TYR A 95 13.546 14.919 -20.062 1.00 13.36 C ATOM 850 O TYR A 95 12.948 15.645 -19.272 1.00 9.37 O ATOM 851 CB TYR A 95 13.686 12.881 -18.552 1.00 12.76 C ATOM 852 CG TYR A 95 14.405 11.590 -18.388 1.00 8.31 C ATOM 853 CD1 TYR A 95 15.680 11.563 -17.785 1.00 4.51 C ATOM 854 CD2 TYR A 95 13.889 10.403 -18.889 1.00 16.56 C ATOM 855 CE1 TYR A 95 16.406 10.410 -17.667 1.00 19.26 C ATOM 856 CE2 TYR A 95 14.625 9.182 -18.764 1.00 18.44 C ATOM 857 CZ TYR A 95 15.898 9.206 -18.159 1.00 6.64 C ATOM 858 OH TYR A 95 16.652 8.069 -17.961 1.00 17.64 O ATOM 859 HH TYR A 95 16.838 7.641 -18.834 1.00 0.00 H ATOM 860 H TYR A 95 15.490 14.785 -17.958 1.00 0.00 H ATOM 861 N ASN A 96 13.494 15.087 -21.390 1.00 9.16 N ATOM 862 CA ASN A 96 12.684 16.126 -22.009 1.00 17.33 C ATOM 863 C ASN A 96 11.608 15.553 -22.916 1.00 17.23 C ATOM 864 O ASN A 96 11.165 16.225 -23.846 1.00 15.61 O ATOM 865 CB ASN A 96 13.568 17.054 -22.823 1.00 19.91 C ATOM 866 CG ASN A 96 14.447 16.287 -23.741 1.00 34.35 C ATOM 867 OD1 ASN A 96 14.371 15.058 -23.793 1.00 26.33 O ATOM 868 ND2 ASN A 96 15.306 16.980 -24.450 1.00 39.05 N ATOM 869 HD22 ASN A 96 15.330 18.017 -24.370 1.00 0.00 H ATOM 870 HD21 ASN A 96 15.963 16.493 -25.092 1.00 0.00 H ATOM 871 H ASN A 96 14.051 14.454 -21.999 1.00 0.00 H ATOM 872 N SER A 97 11.197 14.319 -22.699 1.00 12.30 N ATOM 873 CA SER A 97 10.163 13.739 -23.527 1.00 16.91 C ATOM 874 C SER A 97 9.136 13.010 -22.682 1.00 27.22 C ATOM 875 O SER A 97 9.467 12.406 -21.657 1.00 14.91 O ATOM 876 CB SER A 97 10.698 12.760 -24.542 1.00 25.71 C ATOM 877 OG SER A 97 9.597 12.063 -25.094 1.00 18.68 O ATOM 878 HG SER A 97 8.984 12.708 -25.528 1.00 0.00 H ATOM 879 H SER A 97 11.618 13.761 -21.929 1.00 0.00 H ATOM 880 N ARG A 98 7.868 13.069 -23.137 1.00 20.53 N ATOM 881 CA ARG A 98 6.825 12.308 -22.469 1.00 26.78 C ATOM 882 C ARG A 98 6.890 10.802 -22.772 1.00 14.37 C ATOM 883 O ARG A 98 6.455 9.993 -21.947 1.00 8.77 O ATOM 884 CB ARG A 98 5.464 12.891 -22.863 1.00 29.33 C ATOM 885 CG ARG A 98 4.364 12.477 -22.026 1.00 12.43 C ATOM 886 CD ARG A 98 3.110 13.286 -22.470 1.00 11.17 C ATOM 887 NE ARG A 98 3.053 14.519 -21.735 1.00 19.28 N ATOM 888 CZ ARG A 98 3.254 15.742 -22.216 1.00 5.54 C ATOM 889 NH1 ARG A 98 3.499 16.003 -23.483 1.00 9.60 N ATOM 890 NH2 ARG A 98 3.191 16.709 -21.370 1.00 12.45 N ATOM 891 HE ARG A 98 2.831 14.447 -20.721 1.00 0.00 H ATOM 892 HH12 ARG A 98 3.647 16.985 -23.792 1.00 0.00 H ATOM 893 HH11 ARG A 98 3.544 15.227 -24.174 1.00 0.00 H ATOM 894 HH22 ARG A 98 3.340 17.688 -21.687 1.00 0.00 H ATOM 895 HH21 ARG A 98 2.991 16.512 -20.369 1.00 0.00 H ATOM 896 H ARG A 98 7.637 13.657 -23.963 1.00 0.00 H ATOM 897 N THR A 99 7.383 10.417 -23.949 1.00 15.55 N ATOM 898 CA THR A 99 7.716 9.027 -24.233 1.00 30.51 C ATOM 899 C THR A 99 8.667 8.444 -23.190 1.00 21.38 C ATOM 900 O THR A 99 9.619 9.086 -22.751 1.00 27.23 O ATOM 901 CB THR A 99 8.362 8.921 -25.621 1.00 41.24 C ATOM 902 OG1 THR A 99 7.484 9.493 -26.596 1.00 43.79 O ATOM 903 CG2 THR A 99 8.648 7.454 -25.980 1.00 40.46 C ATOM 904 HG1 THR A 99 7.899 9.426 -27.492 1.00 0.00 H ATOM 905 H THR A 99 7.535 11.132 -24.689 1.00 0.00 H ATOM 906 N ASP A 100 8.405 7.216 -22.788 1.00 26.20 N ATOM 907 CA ASP A 100 9.246 6.600 -21.775 1.00 43.42 C ATOM 908 C ASP A 100 10.608 6.239 -22.360 1.00 38.85 C ATOM 909 O ASP A 100 10.701 5.669 -23.450 1.00 29.23 O ATOM 910 CB ASP A 100 8.542 5.386 -21.187 1.00 41.51 C ATOM 911 CG ASP A 100 7.519 5.779 -20.149 1.00 46.59 C ATOM 912 OD1 ASP A 100 7.915 6.473 -19.177 1.00 35.20 O ATOM 913 OD2 ASP A 100 6.328 5.422 -20.320 1.00 41.41 O ATOM 914 H ASP A 100 7.603 6.692 -23.193 1.00 0.00 H ATOM 915 N LYS A 101 11.657 6.608 -21.640 1.00 42.67 N ATOM 916 CA LYS A 101 13.037 6.442 -22.050 1.00 42.64 C ATOM 917 C LYS A 101 13.785 5.577 -21.042 1.00 20.95 C ATOM 918 O LYS A 101 13.505 5.657 -19.842 1.00 17.70 O ATOM 919 CB LYS A 101 13.720 7.814 -22.165 1.00 54.97 C ATOM 920 CG LYS A 101 15.224 7.794 -22.438 1.00 68.34 C ATOM 921 CD LYS A 101 15.830 9.200 -22.289 1.00 64.57 C ATOM 922 CE LYS A 101 17.335 9.187 -22.480 1.00 46.57 C ATOM 923 NZ LYS A 101 17.888 10.522 -22.169 1.00 45.66 N ATOM 924 HZ1 LYS A 101 17.465 11.228 -22.805 1.00 0.00 H ATOM 925 HZ2 LYS A 101 17.667 10.766 -21.182 1.00 0.00 H ATOM 926 HZ3 LYS A 101 18.919 10.508 -22.301 1.00 0.00 H ATOM 927 H LYS A 101 11.477 7.048 -20.715 1.00 0.00 H ATOM 928 N PRO A 102 14.736 4.741 -21.489 1.00 25.26 N ATOM 929 CA PRO A 102 15.494 3.925 -20.533 1.00 14.40 C ATOM 930 C PRO A 102 16.168 4.765 -19.467 1.00 15.46 C ATOM 931 O PRO A 102 16.527 5.919 -19.679 1.00 16.44 O ATOM 932 CB PRO A 102 16.526 3.209 -21.400 1.00 12.40 C ATOM 933 CG PRO A 102 16.012 3.262 -22.771 1.00 14.81 C ATOM 934 CD PRO A 102 15.130 4.460 -22.885 1.00 22.18 C ATOM 935 N TRP A 103 16.298 4.198 -18.288 1.00 8.85 N ATOM 936 CA TRP A 103 17.188 4.784 -17.331 1.00 1.80 C ATOM 937 C TRP A 103 18.531 4.170 -17.695 1.00 18.84 C ATOM 938 O TRP A 103 18.666 2.928 -17.634 1.00 15.59 O ATOM 939 CB TRP A 103 16.781 4.449 -15.914 1.00 7.92 C ATOM 940 CG TRP A 103 17.515 5.290 -14.867 1.00 8.63 C ATOM 941 CD1 TRP A 103 17.917 6.573 -15.013 1.00 19.84 C ATOM 942 CD2 TRP A 103 17.918 4.897 -13.557 1.00 3.30 C ATOM 943 NE1 TRP A 103 18.520 7.010 -13.883 1.00 14.93 N ATOM 944 CE2 TRP A 103 18.538 5.993 -12.967 1.00 6.96 C ATOM 945 CE3 TRP A 103 17.790 3.723 -12.814 1.00 10.75 C ATOM 946 CZ2 TRP A 103 19.049 5.960 -11.664 1.00 15.72 C ATOM 947 CZ3 TRP A 103 18.282 3.686 -11.530 1.00 13.60 C ATOM 948 CH2 TRP A 103 18.918 4.793 -10.967 1.00 12.33 C ATOM 949 HE1 TRP A 103 18.907 7.964 -13.735 1.00 0.00 H ATOM 950 H TRP A 103 15.763 3.337 -18.054 1.00 0.00 H ATOM 951 N PRO A 104 19.614 5.040 -18.240 1.00 23.91 N ATOM 952 CA PRO A 104 20.817 4.387 -18.832 1.00 31.94 C ATOM 953 C PRO A 104 21.776 3.819 -17.789 1.00 28.86 C ATOM 954 O PRO A 104 22.835 4.363 -17.492 1.00 26.76 O ATOM 955 CB PRO A 104 21.455 5.519 -19.641 1.00 32.03 C ATOM 956 CG PRO A 104 21.104 6.761 -18.903 1.00 28.01 C ATOM 957 CD PRO A 104 19.686 6.512 -18.325 1.00 28.06 C ATOM 958 N VAL A 105 21.442 2.643 -17.243 1.00 5.71 N ATOM 959 CA VAL A 105 22.151 2.140 -16.083 1.00 4.29 C ATOM 960 C VAL A 105 22.448 0.671 -16.332 1.00 20.45 C ATOM 961 O VAL A 105 21.554 -0.097 -16.705 1.00 12.47 O ATOM 962 CB VAL A 105 21.366 2.362 -14.785 1.00 1.92 C ATOM 963 CG1 VAL A 105 22.178 1.963 -13.573 1.00 4.99 C ATOM 964 CG2 VAL A 105 20.980 3.813 -14.613 1.00 38.64 C ATOM 965 H VAL A 105 20.667 2.085 -17.655 1.00 0.00 H ATOM 966 N ALA A 106 23.709 0.297 -16.140 1.00 28.82 N ATOM 967 CA ALA A 106 24.216 -1.046 -16.387 1.00 28.93 C ATOM 968 C ALA A 106 25.325 -1.323 -15.389 1.00 19.27 C ATOM 969 O ALA A 106 26.262 -0.523 -15.267 1.00 23.33 O ATOM 970 CB ALA A 106 24.763 -1.187 -17.818 1.00 29.71 C ATOM 971 H ALA A 106 24.379 1.011 -15.790 1.00 0.00 H ATOM 972 N LEU A 107 25.200 -2.430 -14.668 1.00 21.29 N ATOM 973 CA LEU A 107 26.237 -2.886 -13.759 1.00 16.37 C ATOM 974 C LEU A 107 27.147 -3.847 -14.501 1.00 23.88 C ATOM 975 O LEU A 107 26.683 -4.701 -15.257 1.00 22.86 O ATOM 976 CB LEU A 107 25.642 -3.578 -12.546 1.00 15.01 C ATOM 977 CG LEU A 107 24.581 -2.777 -11.805 1.00 28.99 C ATOM 978 CD1 LEU A 107 24.027 -3.635 -10.713 1.00 28.64 C ATOM 979 CD2 LEU A 107 25.163 -1.471 -11.240 1.00 27.83 C ATOM 980 H LEU A 107 24.329 -2.991 -14.757 1.00 0.00 H ATOM 981 N TYR A 108 28.442 -3.710 -14.263 1.00 23.17 N ATOM 982 CA TYR A 108 29.477 -4.548 -14.862 1.00 13.58 C ATOM 983 C TYR A 108 30.282 -5.122 -13.701 1.00 33.09 C ATOM 984 O TYR A 108 31.121 -4.420 -13.113 1.00 25.90 O ATOM 985 CB TYR A 108 30.345 -3.752 -15.802 1.00 22.77 C ATOM 986 CG TYR A 108 29.645 -3.275 -17.061 1.00 24.47 C ATOM 987 CD1 TYR A 108 28.924 -2.074 -17.087 1.00 25.98 C ATOM 988 CD2 TYR A 108 29.729 -3.996 -18.224 1.00 11.26 C ATOM 989 CE1 TYR A 108 28.333 -1.653 -18.219 1.00 26.53 C ATOM 990 CE2 TYR A 108 29.136 -3.579 -19.364 1.00 30.19 C ATOM 991 CZ TYR A 108 28.434 -2.402 -19.372 1.00 43.07 C ATOM 992 OH TYR A 108 27.821 -1.990 -20.547 1.00 51.70 O ATOM 993 HH TYR A 108 28.506 -1.875 -21.253 1.00 0.00 H ATOM 994 H TYR A 108 28.741 -2.959 -13.609 1.00 0.00 H ATOM 995 N LEU A 109 30.021 -6.391 -13.364 1.00 18.77 N ATOM 996 CA LEU A 109 30.533 -6.986 -12.129 1.00 23.57 C ATOM 997 C LEU A 109 31.445 -8.163 -12.440 1.00 24.62 C ATOM 998 O LEU A 109 31.048 -9.105 -13.133 1.00 23.37 O ATOM 999 CB LEU A 109 29.398 -7.437 -11.212 1.00 31.89 C ATOM 1000 CG LEU A 109 28.357 -6.365 -10.853 1.00 30.19 C ATOM 1001 CD1 LEU A 109 27.127 -7.022 -10.219 1.00 38.80 C ATOM 1002 CD2 LEU A 109 28.943 -5.301 -9.930 1.00 23.66 C ATOM 1003 H LEU A 109 29.437 -6.971 -13.999 1.00 0.00 H ATOM 1004 N THR A 110 32.647 -8.104 -11.904 1.00 24.44 N ATOM 1005 CA THR A 110 33.704 -9.065 -12.164 1.00 28.01 C ATOM 1006 C THR A 110 34.000 -9.855 -10.904 1.00 21.04 C ATOM 1007 O THR A 110 34.170 -9.264 -9.831 1.00 8.97 O ATOM 1008 CB THR A 110 34.976 -8.353 -12.657 1.00 38.07 C ATOM 1009 OG1 THR A 110 35.336 -8.880 -13.935 1.00 35.44 O ATOM 1010 CG2 THR A 110 36.163 -8.482 -11.668 1.00 44.27 C ATOM 1011 HG1 THR A 110 34.596 -8.726 -14.575 1.00 0.00 H ATOM 1012 H THR A 110 32.852 -7.319 -11.253 1.00 0.00 H ATOM 1013 N PRO A 111 34.069 -11.186 -10.988 1.00 22.03 N ATOM 1014 CA PRO A 111 34.264 -11.992 -9.771 1.00 21.80 C ATOM 1015 C PRO A 111 35.639 -11.762 -9.175 1.00 21.35 C ATOM 1016 O PRO A 111 36.637 -11.680 -9.892 1.00 7.25 O ATOM 1017 CB PRO A 111 34.100 -13.436 -10.257 1.00 34.34 C ATOM 1018 CG PRO A 111 33.425 -13.351 -11.593 1.00 28.40 C ATOM 1019 CD PRO A 111 33.839 -11.997 -12.183 1.00 11.04 C ATOM 1020 N VAL A 112 35.690 -11.639 -7.848 1.00 7.20 N ATOM 1021 CA VAL A 112 36.981 -11.444 -7.239 1.00 19.91 C ATOM 1022 C VAL A 112 37.812 -12.727 -7.348 1.00 34.07 C ATOM 1023 O VAL A 112 37.292 -13.827 -7.611 1.00 23.52 O ATOM 1024 CB VAL A 112 36.839 -10.986 -5.778 1.00 28.69 C ATOM 1025 CG1 VAL A 112 36.378 -9.468 -5.733 1.00 24.61 C ATOM 1026 CG2 VAL A 112 35.913 -11.894 -4.997 1.00 19.98 C ATOM 1027 H VAL A 112 34.826 -11.682 -7.271 1.00 0.00 H ATOM 1028 N SER A 113 39.132 -12.573 -7.150 1.00 38.47 N ATOM 1029 CA SER A 113 40.082 -13.670 -7.367 1.00 46.12 C ATOM 1030 C SER A 113 39.739 -14.899 -6.536 1.00 39.57 C ATOM 1031 O SER A 113 39.857 -16.035 -7.018 1.00 30.94 O ATOM 1032 CB SER A 113 41.499 -13.210 -7.040 1.00 54.17 C ATOM 1033 OG SER A 113 41.929 -12.238 -7.976 1.00 66.25 O ATOM 1034 HG SER A 113 41.320 -11.458 -7.943 1.00 0.00 H ATOM 1035 H SER A 113 39.491 -11.649 -6.834 1.00 0.00 H ATOM 1036 N SER A 114 39.353 -14.692 -5.277 1.00 20.51 N ATOM 1037 CA SER A 114 38.877 -15.740 -4.390 1.00 25.85 C ATOM 1038 C SER A 114 37.427 -16.191 -4.664 1.00 45.34 C ATOM 1039 O SER A 114 36.864 -16.901 -3.825 1.00 59.81 O ATOM 1040 CB SER A 114 38.957 -15.255 -2.954 1.00 31.25 C ATOM 1041 OG SER A 114 38.073 -14.159 -2.792 1.00 59.62 O ATOM 1042 HG SER A 114 38.118 -13.835 -1.857 1.00 0.00 H ATOM 1043 H SER A 114 39.395 -13.721 -4.907 1.00 0.00 H ATOM 1044 N ALA A 115 36.808 -15.791 -5.776 1.00 39.47 N ATOM 1045 CA ALA A 115 35.414 -16.136 -6.031 1.00 39.85 C ATOM 1046 C ALA A 115 35.270 -17.610 -6.442 1.00 40.16 C ATOM 1047 O ALA A 115 36.197 -18.245 -6.960 1.00 28.57 O ATOM 1048 CB ALA A 115 34.841 -15.207 -7.113 1.00 46.02 C ATOM 1049 H ALA A 115 37.329 -15.223 -6.474 1.00 0.00 H ATOM 1050 N GLY A 116 34.097 -18.170 -6.204 1.00 30.76 N ATOM 1051 CA GLY A 116 34.009 -19.595 -6.461 1.00 45.41 C ATOM 1052 C GLY A 116 32.847 -20.282 -5.787 1.00 36.44 C ATOM 1053 O GLY A 116 32.606 -20.102 -4.587 1.00 28.21 O ATOM 1054 H GLY A 116 33.286 -17.622 -5.853 1.00 0.00 H ATOM 1055 N GLY A 117 32.132 -21.088 -6.561 1.00 30.75 N ATOM 1056 CA GLY A 117 30.877 -21.624 -6.095 1.00 27.06 C ATOM 1057 C GLY A 117 29.743 -20.675 -6.432 1.00 20.95 C ATOM 1058 O GLY A 117 29.772 -19.995 -7.454 1.00 5.03 O ATOM 1059 H GLY A 117 32.479 -21.335 -7.510 1.00 0.00 H ATOM 1060 N VAL A 118 28.713 -20.669 -5.594 1.00 19.97 N ATOM 1061 CA VAL A 118 27.504 -19.877 -5.823 1.00 23.72 C ATOM 1062 C VAL A 118 27.791 -18.452 -5.350 1.00 20.42 C ATOM 1063 O VAL A 118 27.814 -18.164 -4.154 1.00 8.93 O ATOM 1064 CB VAL A 118 26.302 -20.488 -5.107 1.00 18.24 C ATOM 1065 CG1 VAL A 118 25.058 -19.767 -5.455 1.00 9.93 C ATOM 1066 CG2 VAL A 118 26.160 -22.050 -5.463 1.00 27.30 C ATOM 1067 H VAL A 118 28.768 -21.254 -4.736 1.00 0.00 H ATOM 1068 N ALA A 119 28.041 -17.560 -6.298 1.00 16.12 N ATOM 1069 CA ALA A 119 28.411 -16.192 -5.957 1.00 22.70 C ATOM 1070 C ALA A 119 27.203 -15.298 -5.661 1.00 13.47 C ATOM 1071 O ALA A 119 27.348 -14.292 -4.971 1.00 12.56 O ATOM 1072 CB ALA A 119 29.230 -15.578 -7.090 1.00 11.02 C ATOM 1073 H ALA A 119 27.972 -17.840 -7.297 1.00 0.00 H ATOM 1074 N ILE A 120 26.034 -15.626 -6.189 1.00 26.85 N ATOM 1075 CA ILE A 120 24.813 -14.856 -5.980 1.00 16.07 C ATOM 1076 C ILE A 120 23.710 -15.878 -5.795 1.00 19.45 C ATOM 1077 O ILE A 120 23.616 -16.834 -6.566 1.00 16.74 O ATOM 1078 CB ILE A 120 24.500 -13.910 -7.152 1.00 30.21 C ATOM 1079 CG1 ILE A 120 25.603 -12.857 -7.289 1.00 29.17 C ATOM 1080 CG2 ILE A 120 23.113 -13.196 -6.968 1.00 29.01 C ATOM 1081 CD1 ILE A 120 25.897 -12.518 -8.711 1.00 29.37 C ATOM 1082 H ILE A 120 25.984 -16.477 -6.784 1.00 0.00 H ATOM 1083 N LYS A 121 22.894 -15.686 -4.767 1.00 37.22 N ATOM 1084 CA LYS A 121 21.815 -16.599 -4.417 1.00 28.79 C ATOM 1085 C LYS A 121 20.532 -16.097 -5.063 1.00 21.64 C ATOM 1086 O LYS A 121 20.098 -14.986 -4.788 1.00 20.15 O ATOM 1087 CB LYS A 121 21.656 -16.671 -2.901 1.00 28.40 C ATOM 1088 CG LYS A 121 21.483 -18.022 -2.326 1.00 45.32 C ATOM 1089 CD LYS A 121 22.806 -18.773 -2.180 1.00 57.18 C ATOM 1090 CE LYS A 121 22.550 -20.224 -1.760 1.00 65.21 C ATOM 1091 NZ LYS A 121 23.782 -21.050 -1.622 1.00 60.29 N ATOM 1092 HZ1 LYS A 121 24.281 -21.081 -2.534 1.00 0.00 H ATOM 1093 HZ2 LYS A 121 24.401 -20.629 -0.900 1.00 0.00 H ATOM 1094 HZ3 LYS A 121 23.521 -22.015 -1.336 1.00 0.00 H ATOM 1095 H LYS A 121 23.032 -14.839 -4.180 1.00 0.00 H ATOM 1096 N ALA A 122 19.944 -16.904 -5.926 1.00 22.87 N ATOM 1097 CA ALA A 122 18.605 -16.649 -6.434 1.00 32.80 C ATOM 1098 C ALA A 122 17.691 -15.949 -5.413 1.00 37.15 C ATOM 1099 O ALA A 122 17.689 -16.240 -4.207 1.00 11.36 O ATOM 1100 CB ALA A 122 18.009 -17.972 -6.890 1.00 27.09 C ATOM 1101 H ALA A 122 20.454 -17.749 -6.253 1.00 0.00 H ATOM 1102 N GLY A 123 16.942 -14.977 -5.920 1.00 40.19 N ATOM 1103 CA GLY A 123 16.041 -14.221 -5.089 1.00 30.58 C ATOM 1104 C GLY A 123 16.674 -13.374 -4.021 1.00 13.95 C ATOM 1105 O GLY A 123 15.963 -12.897 -3.162 1.00 14.06 O ATOM 1106 H GLY A 123 17.007 -14.758 -6.935 1.00 0.00 H ATOM 1107 N SER A 124 17.983 -13.188 -4.000 1.00 23.89 N ATOM 1108 CA SER A 124 18.530 -12.221 -3.053 1.00 29.68 C ATOM 1109 C SER A 124 18.485 -10.810 -3.648 1.00 25.89 C ATOM 1110 O SER A 124 18.341 -10.619 -4.867 1.00 15.29 O ATOM 1111 CB SER A 124 19.969 -12.563 -2.692 1.00 25.19 C ATOM 1112 OG SER A 124 20.739 -12.598 -3.881 1.00 33.87 O ATOM 1113 HG SER A 124 20.372 -13.286 -4.490 1.00 0.00 H ATOM 1114 H SER A 124 18.607 -13.717 -4.642 1.00 0.00 H ATOM 1115 N LEU A 125 18.670 -9.828 -2.767 1.00 29.07 N ATOM 1116 CA LEU A 125 18.783 -8.408 -3.128 1.00 19.73 C ATOM 1117 C LEU A 125 20.238 -8.111 -3.496 1.00 18.13 C ATOM 1118 O LEU A 125 21.126 -8.148 -2.644 1.00 18.36 O ATOM 1119 CB LEU A 125 18.325 -7.553 -1.950 1.00 29.81 C ATOM 1120 CG LEU A 125 18.382 -6.008 -2.051 1.00 26.19 C ATOM 1121 CD1 LEU A 125 17.268 -5.457 -2.880 1.00 25.72 C ATOM 1122 CD2 LEU A 125 18.391 -5.408 -0.660 1.00 22.94 C ATOM 1123 H LEU A 125 18.739 -10.082 -1.761 1.00 0.00 H ATOM 1124 N ILE A 126 20.506 -7.853 -4.766 1.00 10.93 N ATOM 1125 CA ILE A 126 21.883 -7.670 -5.186 1.00 25.56 C ATOM 1126 C ILE A 126 22.293 -6.200 -5.210 1.00 33.75 C ATOM 1127 O ILE A 126 23.499 -5.910 -5.168 1.00 17.22 O ATOM 1128 CB ILE A 126 22.099 -8.314 -6.563 1.00 22.92 C ATOM 1129 CG1 ILE A 126 20.993 -7.826 -7.448 1.00 8.26 C ATOM 1130 CG2 ILE A 126 22.011 -9.845 -6.484 1.00 24.66 C ATOM 1131 CD1 ILE A 126 21.294 -7.932 -8.861 1.00 6.21 C ATOM 1132 H ILE A 126 19.734 -7.782 -5.459 1.00 0.00 H ATOM 1133 N ALA A 127 21.335 -5.270 -5.218 1.00 21.26 N ATOM 1134 CA ALA A 127 21.662 -3.857 -5.363 1.00 17.62 C ATOM 1135 C ALA A 127 20.430 -2.999 -5.106 1.00 18.34 C ATOM 1136 O ALA A 127 19.319 -3.383 -5.478 1.00 17.08 O ATOM 1137 CB ALA A 127 22.194 -3.584 -6.765 1.00 27.38 C ATOM 1138 H ALA A 127 20.341 -5.558 -5.119 1.00 0.00 H ATOM 1139 N VAL A 128 20.655 -1.809 -4.537 1.00 19.71 N ATOM 1140 CA VAL A 128 19.645 -0.732 -4.429 1.00 23.26 C ATOM 1141 C VAL A 128 20.170 0.448 -5.218 1.00 12.65 C ATOM 1142 O VAL A 128 21.259 0.966 -4.927 1.00 14.74 O ATOM 1143 CB VAL A 128 19.375 -0.279 -2.987 1.00 17.68 C ATOM 1144 CG1 VAL A 128 18.419 1.025 -2.944 1.00 17.74 C ATOM 1145 CG2 VAL A 128 18.787 -1.347 -2.207 1.00 10.91 C ATOM 1146 H VAL A 128 21.601 -1.629 -4.145 1.00 0.00 H ATOM 1147 N LEU A 129 19.469 0.799 -6.270 1.00 4.27 N ATOM 1148 CA LEU A 129 19.808 1.964 -7.063 1.00 8.80 C ATOM 1149 C LEU A 129 18.836 3.092 -6.720 1.00 15.74 C ATOM 1150 O LEU A 129 17.610 2.922 -6.837 1.00 11.88 O ATOM 1151 CB LEU A 129 19.750 1.638 -8.559 1.00 7.36 C ATOM 1152 CG LEU A 129 20.318 0.297 -9.050 1.00 12.45 C ATOM 1153 CD1 LEU A 129 19.917 0.153 -10.515 1.00 28.14 C ATOM 1154 CD2 LEU A 129 21.816 0.227 -8.956 1.00 15.90 C ATOM 1155 H LEU A 129 18.646 0.225 -6.543 1.00 0.00 H ATOM 1156 N ILE A 130 19.386 4.252 -6.360 1.00 17.72 N ATOM 1157 CA ILE A 130 18.610 5.460 -6.023 1.00 22.78 C ATOM 1158 C ILE A 130 18.565 6.356 -7.257 1.00 11.94 C ATOM 1159 O ILE A 130 19.594 6.892 -7.679 1.00 14.03 O ATOM 1160 CB ILE A 130 19.216 6.201 -4.817 1.00 24.75 C ATOM 1161 CG1 ILE A 130 19.347 5.282 -3.600 1.00 12.11 C ATOM 1162 CG2 ILE A 130 18.371 7.448 -4.432 1.00 29.96 C ATOM 1163 CD1 ILE A 130 18.056 4.673 -3.160 1.00 32.15 C ATOM 1164 H ILE A 130 20.423 4.308 -6.314 1.00 0.00 H ATOM 1165 N LEU A 131 17.397 6.532 -7.850 1.00 9.85 N ATOM 1166 CA LEU A 131 17.224 7.536 -8.906 1.00 10.31 C ATOM 1167 C LEU A 131 16.773 8.857 -8.268 1.00 6.29 C ATOM 1168 O LEU A 131 15.891 8.868 -7.396 1.00 16.10 O ATOM 1169 CB LEU A 131 16.241 7.043 -9.999 1.00 12.74 C ATOM 1170 CG LEU A 131 15.980 7.898 -11.285 1.00 20.69 C ATOM 1171 CD1 LEU A 131 15.369 7.114 -12.406 1.00 9.99 C ATOM 1172 CD2 LEU A 131 15.111 9.205 -11.055 1.00 19.44 C ATOM 1173 H LEU A 131 16.586 5.948 -7.563 1.00 0.00 H ATOM 1174 N ARG A 132 17.412 9.971 -8.660 1.00 22.03 N ATOM 1175 CA ARG A 132 17.076 11.295 -8.119 1.00 17.63 C ATOM 1176 C ARG A 132 16.575 12.212 -9.226 1.00 4.91 C ATOM 1177 O ARG A 132 17.271 12.459 -10.220 1.00 5.74 O ATOM 1178 CB ARG A 132 18.248 11.960 -7.402 1.00 22.76 C ATOM 1179 CG ARG A 132 17.829 13.051 -6.400 1.00 22.09 C ATOM 1180 CD ARG A 132 19.021 13.822 -5.881 1.00 11.23 C ATOM 1181 NE ARG A 132 18.772 15.108 -5.282 1.00 17.98 N ATOM 1182 CZ ARG A 132 19.734 16.011 -5.058 1.00 38.74 C ATOM 1183 NH1 ARG A 132 21.022 15.763 -5.371 1.00 24.44 N ATOM 1184 NH2 ARG A 132 19.421 17.168 -4.506 1.00 40.18 N ATOM 1185 HE ARG A 132 17.797 15.347 -5.010 1.00 0.00 H ATOM 1186 HH12 ARG A 132 21.750 16.483 -5.186 1.00 0.00 H ATOM 1187 HH11 ARG A 132 21.287 14.852 -5.797 1.00 0.00 H ATOM 1188 HH22 ARG A 132 20.161 17.876 -4.328 1.00 0.00 H ATOM 1189 HH21 ARG A 132 18.434 17.372 -4.249 1.00 0.00 H ATOM 1190 H ARG A 132 18.169 9.894 -9.369 1.00 0.00 H ATOM 1191 N GLN A 133 15.381 12.737 -9.030 1.00 9.25 N ATOM 1192 CA GLN A 133 14.715 13.565 -10.023 1.00 22.82 C ATOM 1193 C GLN A 133 14.470 14.977 -9.494 1.00 14.20 C ATOM 1194 O GLN A 133 13.858 15.173 -8.438 1.00 16.34 O ATOM 1195 CB GLN A 133 13.402 12.954 -10.470 1.00 15.28 C ATOM 1196 CG GLN A 133 12.695 13.834 -11.494 1.00 22.18 C ATOM 1197 CD GLN A 133 11.358 14.403 -10.939 1.00 24.51 C ATOM 1198 OE1 GLN A 133 10.606 13.700 -10.273 1.00 9.04 O ATOM 1199 NE2 GLN A 133 11.096 15.672 -11.196 1.00 2.17 N ATOM 1200 HE22 GLN A 133 11.760 16.235 -11.765 1.00 0.00 H ATOM 1201 HE21 GLN A 133 10.226 16.108 -10.829 1.00 0.00 H ATOM 1202 H GLN A 133 14.896 12.551 -8.129 1.00 0.00 H ATOM 1203 N THR A 134 14.928 15.951 -10.258 1.00 10.83 N ATOM 1204 CA THR A 134 14.645 17.365 -10.024 1.00 12.08 C ATOM 1205 C THR A 134 14.202 17.989 -11.354 1.00 8.07 C ATOM 1206 O THR A 134 14.112 17.322 -12.402 1.00 11.36 O ATOM 1207 CB THR A 134 15.874 18.119 -9.460 1.00 12.29 C ATOM 1208 OG1 THR A 134 16.981 17.935 -10.326 1.00 10.36 O ATOM 1209 CG2 THR A 134 16.251 17.672 -8.102 1.00 5.81 C ATOM 1210 HG1 THR A 134 17.189 16.969 -10.394 1.00 0.00 H ATOM 1211 H THR A 134 15.524 15.698 -11.072 1.00 0.00 H ATOM 1212 N ASN A 135 13.983 19.291 -11.341 1.00 10.50 N ATOM 1213 CA ASN A 135 13.572 19.963 -12.562 1.00 9.13 C ATOM 1214 C ASN A 135 14.087 21.395 -12.531 1.00 15.15 C ATOM 1215 O ASN A 135 14.770 21.813 -11.598 1.00 18.51 O ATOM 1216 CB ASN A 135 12.042 19.929 -12.693 1.00 19.79 C ATOM 1217 CG ASN A 135 11.373 20.587 -11.514 1.00 11.12 C ATOM 1218 OD1 ASN A 135 11.771 21.682 -11.119 1.00 10.35 O ATOM 1219 ND2 ASN A 135 10.397 19.902 -10.899 1.00 6.48 N ATOM 1220 HD22 ASN A 135 10.095 18.979 -11.272 1.00 0.00 H ATOM 1221 HD21 ASN A 135 9.942 20.294 -10.050 1.00 0.00 H ATOM 1222 H ASN A 135 14.104 19.833 -10.462 1.00 0.00 H ATOM 1223 N ASN A 136 13.727 22.150 -13.561 1.00 20.95 N ATOM 1224 CA ASN A 136 14.001 23.577 -13.660 1.00 18.38 C ATOM 1225 C ASN A 136 12.781 24.445 -13.342 1.00 21.06 C ATOM 1226 O ASN A 136 12.660 25.550 -13.899 1.00 23.58 O ATOM 1227 CB ASN A 136 14.472 23.894 -15.073 1.00 13.27 C ATOM 1228 CG ASN A 136 13.397 23.735 -16.063 1.00 9.48 C ATOM 1229 OD1 ASN A 136 12.393 23.109 -15.784 1.00 6.19 O ATOM 1230 ND2 ASN A 136 13.615 24.221 -17.260 1.00 13.67 N ATOM 1231 HD22 ASN A 136 14.488 24.751 -17.455 1.00 0.00 H ATOM 1232 HD21 ASN A 136 12.915 24.077 -18.015 1.00 0.00 H ATOM 1233 H ASN A 136 13.218 21.695 -14.346 1.00 0.00 H ATOM 1234 N TYR A 137 11.899 24.011 -12.432 1.00 11.77 N ATOM 1235 CA TYR A 137 10.544 24.598 -12.338 1.00 3.43 C ATOM 1236 C TYR A 137 10.170 24.926 -10.894 1.00 19.67 C ATOM 1237 O TYR A 137 9.712 26.041 -10.599 1.00 17.69 O ATOM 1238 CB TYR A 137 9.488 23.665 -12.984 1.00 12.01 C ATOM 1239 CG TYR A 137 8.041 24.244 -13.002 1.00 21.64 C ATOM 1240 CD1 TYR A 137 7.573 25.021 -14.066 1.00 15.89 C ATOM 1241 CD2 TYR A 137 7.170 24.007 -11.952 1.00 18.64 C ATOM 1242 CE1 TYR A 137 6.289 25.563 -14.051 1.00 17.65 C ATOM 1243 CE2 TYR A 137 5.872 24.562 -11.930 1.00 23.21 C ATOM 1244 CZ TYR A 137 5.450 25.327 -12.981 1.00 19.14 C ATOM 1245 OH TYR A 137 4.163 25.832 -12.952 1.00 15.80 O ATOM 1246 HH TYR A 137 3.999 26.362 -13.772 1.00 0.00 H ATOM 1247 H TYR A 137 12.171 23.248 -11.780 1.00 0.00 H ATOM 1248 N ASN A 138 10.353 23.988 -9.976 1.00 4.52 N ATOM 1249 CA ASN A 138 9.997 24.194 -8.574 1.00 34.13 C ATOM 1250 C ASN A 138 11.108 23.560 -7.742 1.00 22.43 C ATOM 1251 O ASN A 138 12.212 23.312 -8.224 1.00 16.29 O ATOM 1252 CB ASN A 138 8.562 23.672 -8.275 1.00 30.82 C ATOM 1253 CG ASN A 138 8.362 22.164 -8.576 1.00 21.73 C ATOM 1254 OD1 ASN A 138 9.305 21.447 -8.865 1.00 23.62 O ATOM 1255 ND2 ASN A 138 7.112 21.697 -8.500 1.00 15.09 N ATOM 1256 HD22 ASN A 138 6.332 22.338 -8.251 1.00 0.00 H ATOM 1257 HD21 ASN A 138 6.920 20.693 -8.690 1.00 0.00 H ATOM 1258 H ASN A 138 10.763 23.076 -10.263 1.00 0.00 H ATOM 1259 N SER A 139 10.848 23.312 -6.468 1.00 11.13 N ATOM 1260 CA SER A 139 11.865 22.746 -5.601 1.00 25.45 C ATOM 1261 C SER A 139 11.723 21.224 -5.456 1.00 15.54 C ATOM 1262 O SER A 139 12.068 20.666 -4.416 1.00 9.91 O ATOM 1263 CB SER A 139 11.799 23.421 -4.241 1.00 18.96 C ATOM 1264 OG SER A 139 10.580 23.114 -3.617 1.00 34.99 O ATOM 1265 HG SER A 139 10.508 22.134 -3.500 1.00 0.00 H ATOM 1266 H SER A 139 9.905 23.525 -6.084 1.00 0.00 H ATOM 1267 N ASP A 140 11.171 20.567 -6.463 1.00 5.81 N ATOM 1268 CA ASP A 140 10.912 19.128 -6.373 1.00 14.30 C ATOM 1269 C ASP A 140 12.223 18.375 -6.324 1.00 13.24 C ATOM 1270 O ASP A 140 13.062 18.521 -7.219 1.00 12.41 O ATOM 1271 CB ASP A 140 10.121 18.635 -7.559 1.00 5.85 C ATOM 1272 CG ASP A 140 8.587 18.938 -7.462 1.00 6.41 C ATOM 1273 OD1 ASP A 140 8.030 19.214 -6.360 1.00 5.97 O ATOM 1274 OD2 ASP A 140 8.009 18.873 -8.539 1.00 5.19 O ATOM 1275 H ASP A 140 10.917 21.080 -7.331 1.00 0.00 H ATOM 1276 N ASP A 141 12.361 17.535 -5.306 1.00 19.81 N ATOM 1277 CA ASP A 141 13.522 16.650 -5.171 1.00 29.90 C ATOM 1278 C ASP A 141 13.022 15.266 -4.756 1.00 9.59 C ATOM 1279 O ASP A 141 12.701 15.022 -3.588 1.00 14.75 O ATOM 1280 CB ASP A 141 14.506 17.246 -4.174 1.00 27.08 C ATOM 1281 CG ASP A 141 15.886 16.631 -4.273 1.00 17.39 C ATOM 1282 OD1 ASP A 141 16.084 15.567 -4.917 1.00 14.04 O ATOM 1283 OD2 ASP A 141 16.767 17.226 -3.679 1.00 21.44 O ATOM 1284 H ASP A 141 11.619 17.503 -4.578 1.00 0.00 H ATOM 1285 N PHE A 142 12.879 14.390 -5.730 1.00 4.84 N ATOM 1286 CA PHE A 142 12.171 13.132 -5.533 1.00 12.01 C ATOM 1287 C PHE A 142 13.099 11.933 -5.777 1.00 14.35 C ATOM 1288 O PHE A 142 14.001 11.981 -6.618 1.00 16.50 O ATOM 1289 CB PHE A 142 10.965 13.021 -6.454 1.00 13.10 C ATOM 1290 CG PHE A 142 9.828 13.992 -6.145 1.00 11.88 C ATOM 1291 CD1 PHE A 142 9.365 14.200 -4.862 1.00 19.40 C ATOM 1292 CD2 PHE A 142 9.211 14.663 -7.170 1.00 10.10 C ATOM 1293 CE1 PHE A 142 8.304 15.085 -4.619 1.00 21.24 C ATOM 1294 CE2 PHE A 142 8.151 15.518 -6.930 1.00 10.00 C ATOM 1295 CZ PHE A 142 7.719 15.734 -5.644 1.00 16.47 C ATOM 1296 H PHE A 142 13.282 14.602 -6.665 1.00 0.00 H ATOM 1297 N GLN A 143 12.822 10.854 -5.048 1.00 16.32 N ATOM 1298 CA GLN A 143 13.645 9.649 -4.950 1.00 27.66 C ATOM 1299 C GLN A 143 12.856 8.450 -5.485 1.00 21.49 C ATOM 1300 O GLN A 143 11.798 8.128 -4.959 1.00 13.78 O ATOM 1301 CB GLN A 143 14.041 9.462 -3.484 1.00 25.40 C ATOM 1302 CG GLN A 143 15.079 8.367 -3.158 1.00 29.63 C ATOM 1303 CD GLN A 143 15.328 8.224 -1.627 1.00 30.69 C ATOM 1304 OE1 GLN A 143 14.646 7.446 -0.924 1.00 15.65 O ATOM 1305 NE2 GLN A 143 16.316 8.977 -1.116 1.00 23.38 N ATOM 1306 HE22 GLN A 143 16.860 9.612 -1.735 1.00 0.00 H ATOM 1307 HE21 GLN A 143 16.537 8.925 -0.101 1.00 0.00 H ATOM 1308 H GLN A 143 11.940 10.869 -4.498 1.00 0.00 H ATOM 1309 N PHE A 144 13.345 7.824 -6.555 1.00 15.61 N ATOM 1310 CA PHE A 144 12.769 6.605 -7.122 1.00 17.55 C ATOM 1311 C PHE A 144 13.690 5.409 -6.799 1.00 20.28 C ATOM 1312 O PHE A 144 14.720 5.202 -7.444 1.00 16.11 O ATOM 1313 CB PHE A 144 12.583 6.768 -8.622 1.00 16.43 C ATOM 1314 CG PHE A 144 11.515 7.754 -9.015 1.00 17.50 C ATOM 1315 CD1 PHE A 144 11.727 9.104 -8.903 1.00 18.52 C ATOM 1316 CD2 PHE A 144 10.306 7.304 -9.513 1.00 16.80 C ATOM 1317 CE1 PHE A 144 10.752 10.027 -9.255 1.00 24.96 C ATOM 1318 CE2 PHE A 144 9.332 8.192 -9.888 1.00 17.75 C ATOM 1319 CZ PHE A 144 9.549 9.579 -9.753 1.00 19.77 C ATOM 1320 H PHE A 144 14.187 8.226 -7.014 1.00 0.00 H ATOM 1321 N VAL A 145 13.334 4.647 -5.787 1.00 13.90 N ATOM 1322 CA VAL A 145 14.170 3.548 -5.314 1.00 13.88 C ATOM 1323 C VAL A 145 13.945 2.295 -6.154 1.00 19.62 C ATOM 1324 O VAL A 145 12.810 1.810 -6.300 1.00 19.23 O ATOM 1325 CB VAL A 145 13.887 3.290 -3.830 1.00 13.94 C ATOM 1326 CG1 VAL A 145 14.886 2.260 -3.266 1.00 17.88 C ATOM 1327 CG2 VAL A 145 13.958 4.594 -3.092 1.00 10.75 C ATOM 1328 H VAL A 145 12.429 4.834 -5.310 1.00 0.00 H ATOM 1329 N TRP A 146 15.035 1.741 -6.700 1.00 10.59 N ATOM 1330 CA TRP A 146 15.001 0.432 -7.372 1.00 8.43 C ATOM 1331 C TRP A 146 15.720 -0.604 -6.520 1.00 16.75 C ATOM 1332 O TRP A 146 16.950 -0.530 -6.332 1.00 13.63 O ATOM 1333 CB TRP A 146 15.580 0.548 -8.782 1.00 9.85 C ATOM 1334 CG TRP A 146 15.007 1.740 -9.494 1.00 17.28 C ATOM 1335 CD1 TRP A 146 15.579 2.980 -9.646 1.00 23.40 C ATOM 1336 CD2 TRP A 146 13.728 1.817 -10.116 1.00 19.40 C ATOM 1337 NE1 TRP A 146 14.728 3.816 -10.324 1.00 18.54 N ATOM 1338 CE2 TRP A 146 13.580 3.128 -10.624 1.00 23.59 C ATOM 1339 CE3 TRP A 146 12.694 0.911 -10.298 1.00 18.95 C ATOM 1340 CZ2 TRP A 146 12.421 3.552 -11.290 1.00 15.45 C ATOM 1341 CZ3 TRP A 146 11.529 1.337 -10.979 1.00 15.18 C ATOM 1342 CH2 TRP A 146 11.416 2.649 -11.456 1.00 11.94 C ATOM 1343 HE1 TRP A 146 14.922 4.808 -10.570 1.00 0.00 H ATOM 1344 H TRP A 146 15.938 2.254 -6.647 1.00 0.00 H ATOM 1345 N ASN A 147 14.946 -1.551 -5.975 1.00 11.39 N ATOM 1346 CA ASN A 147 15.515 -2.725 -5.316 1.00 33.18 C ATOM 1347 C ASN A 147 15.718 -3.855 -6.332 1.00 17.22 C ATOM 1348 O ASN A 147 14.760 -4.406 -6.875 1.00 22.69 O ATOM 1349 CB ASN A 147 14.635 -3.140 -4.152 1.00 23.10 C ATOM 1350 CG ASN A 147 14.295 -1.956 -3.250 1.00 24.29 C ATOM 1351 OD1 ASN A 147 15.159 -1.484 -2.527 1.00 12.72 O ATOM 1352 ND2 ASN A 147 13.027 -1.503 -3.259 1.00 17.79 N ATOM 1353 HD22 ASN A 147 12.325 -1.936 -3.892 1.00 0.00 H ATOM 1354 HD21 ASN A 147 12.750 -0.720 -2.633 1.00 0.00 H ATOM 1355 H ASN A 147 13.912 -1.448 -6.022 1.00 0.00 H ATOM 1356 N ILE A 148 16.972 -4.150 -6.632 1.00 16.72 N ATOM 1357 CA ILE A 148 17.331 -5.097 -7.691 1.00 28.58 C ATOM 1358 C ILE A 148 17.498 -6.452 -7.036 1.00 20.92 C ATOM 1359 O ILE A 148 18.240 -6.583 -6.057 1.00 25.45 O ATOM 1360 CB ILE A 148 18.613 -4.674 -8.442 1.00 25.06 C ATOM 1361 CG1 ILE A 148 18.592 -3.192 -8.782 1.00 32.08 C ATOM 1362 CG2 ILE A 148 18.720 -5.349 -9.756 1.00 13.32 C ATOM 1363 CD1 ILE A 148 17.265 -2.730 -9.595 1.00 7.75 C ATOM 1364 H ILE A 148 17.735 -3.691 -6.094 1.00 0.00 H ATOM 1365 N TYR A 149 16.771 -7.433 -7.534 1.00 20.44 N ATOM 1366 CA TYR A 149 16.699 -8.763 -6.942 1.00 23.06 C ATOM 1367 C TYR A 149 17.145 -9.772 -7.972 1.00 15.68 C ATOM 1368 O TYR A 149 16.716 -9.685 -9.128 1.00 15.40 O ATOM 1369 CB TYR A 149 15.285 -9.105 -6.512 1.00 15.91 C ATOM 1370 CG TYR A 149 14.916 -8.494 -5.209 1.00 19.50 C ATOM 1371 CD1 TYR A 149 15.407 -9.028 -4.051 1.00 30.42 C ATOM 1372 CD2 TYR A 149 14.107 -7.351 -5.129 1.00 11.27 C ATOM 1373 CE1 TYR A 149 15.107 -8.489 -2.849 1.00 18.45 C ATOM 1374 CE2 TYR A 149 13.804 -6.817 -3.931 1.00 2.75 C ATOM 1375 CZ TYR A 149 14.307 -7.379 -2.792 1.00 3.57 C ATOM 1376 OH TYR A 149 14.064 -6.938 -1.534 1.00 17.18 O ATOM 1377 HH TYR A 149 14.542 -7.513 -0.886 1.00 0.00 H ATOM 1378 H TYR A 149 16.219 -7.248 -8.396 1.00 0.00 H ATOM 1379 N ALA A 150 17.995 -10.722 -7.548 1.00 12.72 N ATOM 1380 CA ALA A 150 18.436 -11.810 -8.434 1.00 27.49 C ATOM 1381 C ALA A 150 17.329 -12.824 -8.742 1.00 20.91 C ATOM 1382 O ALA A 150 16.759 -13.439 -7.840 1.00 19.34 O ATOM 1383 CB ALA A 150 19.620 -12.558 -7.824 1.00 19.50 C ATOM 1384 H ALA A 150 18.349 -10.687 -6.571 1.00 0.00 H ATOM 1385 N ASN A 151 17.070 -13.060 -10.021 1.00 11.35 N ATOM 1386 CA ASN A 151 16.115 -14.087 -10.366 1.00 8.50 C ATOM 1387 C ASN A 151 16.666 -15.496 -10.261 1.00 23.05 C ATOM 1388 O ASN A 151 15.851 -16.423 -10.254 1.00 13.29 O ATOM 1389 CB ASN A 151 15.596 -13.924 -11.789 1.00 25.04 C ATOM 1390 CG ASN A 151 14.227 -13.269 -11.839 1.00 18.72 C ATOM 1391 OD1 ASN A 151 13.524 -13.203 -10.838 1.00 16.80 O ATOM 1392 ND2 ASN A 151 13.866 -12.760 -13.001 1.00 20.50 N ATOM 1393 HD22 ASN A 151 14.498 -12.841 -13.823 1.00 0.00 H ATOM 1394 HD21 ASN A 151 12.950 -12.277 -13.095 1.00 0.00 H ATOM 1395 H ASN A 151 17.548 -12.513 -10.765 1.00 0.00 H ATOM 1396 N ASN A 152 17.998 -15.680 -10.220 1.00 9.72 N ATOM 1397 CA ASN A 152 18.581 -17.005 -10.315 1.00 24.65 C ATOM 1398 C ASN A 152 19.993 -16.945 -9.777 1.00 27.49 C ATOM 1399 O ASN A 152 20.615 -15.880 -9.770 1.00 19.26 O ATOM 1400 CB ASN A 152 18.589 -17.526 -11.764 1.00 30.61 C ATOM 1401 CG ASN A 152 19.324 -16.601 -12.722 1.00 26.25 C ATOM 1402 OD1 ASN A 152 18.737 -15.659 -13.262 1.00 14.51 O ATOM 1403 ND2 ASN A 152 20.614 -16.869 -12.942 1.00 20.02 N ATOM 1404 HD22 ASN A 152 21.067 -17.674 -12.464 1.00 0.00 H ATOM 1405 HD21 ASN A 152 21.166 -16.272 -13.591 1.00 0.00 H ATOM 1406 H ASN A 152 18.623 -14.855 -10.118 1.00 0.00 H ATOM 1407 N ASP A 153 20.458 -18.103 -9.293 1.00 25.16 N ATOM 1408 CA ASP A 153 21.822 -18.306 -8.810 1.00 15.81 C ATOM 1409 C ASP A 153 22.846 -17.962 -9.883 1.00 16.82 C ATOM 1410 O ASP A 153 22.606 -18.107 -11.080 1.00 9.89 O ATOM 1411 CB ASP A 153 22.036 -19.779 -8.416 1.00 33.36 C ATOM 1412 CG ASP A 153 21.529 -20.150 -7.006 1.00 31.90 C ATOM 1413 OD1 ASP A 153 20.868 -19.339 -6.307 1.00 17.71 O ATOM 1414 OD2 ASP A 153 21.804 -21.317 -6.606 1.00 25.24 O ATOM 1415 H ASP A 153 19.805 -18.912 -9.258 1.00 0.00 H ATOM 1416 N VAL A 154 24.021 -17.542 -9.438 1.00 28.48 N ATOM 1417 CA VAL A 154 25.164 -17.315 -10.315 1.00 21.88 C ATOM 1418 C VAL A 154 26.332 -18.111 -9.764 1.00 15.87 C ATOM 1419 O VAL A 154 26.697 -17.966 -8.585 1.00 6.95 O ATOM 1420 CB VAL A 154 25.524 -15.819 -10.424 1.00 39.92 C ATOM 1421 CG1 VAL A 154 26.808 -15.627 -11.293 1.00 37.83 C ATOM 1422 CG2 VAL A 154 24.303 -15.027 -10.975 1.00 34.56 C ATOM 1423 H VAL A 154 24.133 -17.367 -8.419 1.00 0.00 H ATOM 1424 N VAL A 155 26.900 -18.965 -10.611 1.00 14.94 N ATOM 1425 CA VAL A 155 27.990 -19.835 -10.227 1.00 5.63 C ATOM 1426 C VAL A 155 29.290 -19.375 -10.870 1.00 2.32 C ATOM 1427 O VAL A 155 29.357 -19.133 -12.069 1.00 8.07 O ATOM 1428 CB VAL A 155 27.709 -21.299 -10.623 1.00 29.05 C ATOM 1429 CG1 VAL A 155 28.970 -22.173 -10.406 1.00 16.05 C ATOM 1430 CG2 VAL A 155 26.517 -21.861 -9.836 1.00 23.94 C ATOM 1431 H VAL A 155 26.546 -19.009 -11.588 1.00 0.00 H ATOM 1432 N VAL A 156 30.347 -19.349 -10.085 1.00 10.34 N ATOM 1433 CA VAL A 156 31.684 -19.116 -10.621 1.00 7.76 C ATOM 1434 C VAL A 156 32.412 -20.465 -10.686 1.00 12.52 C ATOM 1435 O VAL A 156 32.648 -21.075 -9.635 1.00 5.45 O ATOM 1436 CB VAL A 156 32.424 -18.086 -9.778 1.00 23.66 C ATOM 1437 CG1 VAL A 156 33.862 -17.890 -10.307 1.00 29.55 C ATOM 1438 CG2 VAL A 156 31.624 -16.801 -9.826 1.00 13.27 C ATOM 1439 H VAL A 156 30.226 -19.497 -9.063 1.00 0.00 H ATOM 1440 N PRO A 157 32.713 -20.979 -11.876 1.00 15.26 N ATOM 1441 CA PRO A 157 33.414 -22.271 -11.967 1.00 8.31 C ATOM 1442 C PRO A 157 34.682 -22.299 -11.128 1.00 31.05 C ATOM 1443 O PRO A 157 35.401 -21.306 -11.032 1.00 32.21 O ATOM 1444 CB PRO A 157 33.747 -22.389 -13.461 1.00 8.15 C ATOM 1445 CG PRO A 157 32.834 -21.578 -14.146 1.00 19.95 C ATOM 1446 CD PRO A 157 32.531 -20.385 -13.207 1.00 26.22 C ATOM 1447 N THR A 158 34.957 -23.460 -10.531 1.00 41.04 N ATOM 1448 CA THR A 158 36.083 -23.642 -9.621 1.00 32.16 C ATOM 1449 C THR A 158 37.253 -24.389 -10.274 1.00 36.06 C ATOM 1450 O THR A 158 37.088 -25.248 -11.153 1.00 25.19 O ATOM 1451 CB THR A 158 35.667 -24.420 -8.363 1.00 41.30 C ATOM 1452 OG1 THR A 158 34.647 -23.692 -7.680 1.00 46.95 O ATOM 1453 CG2 THR A 158 36.846 -24.589 -7.429 1.00 60.35 C ATOM 1454 OXT THR A 158 38.400 -24.134 -9.913 1.00 35.20 O ATOM 1455 HG1 THR A 158 34.375 -24.189 -6.868 1.00 0.00 H ATOM 1456 H THR A 158 34.339 -24.274 -10.723 1.00 0.00 H TER 1457 THR A 158 HETATM 1458 O HOH 1 25.268 2.277 -14.814 1.00 31.52 O HETATM 1459 O HOH 2 8.049 6.137 -17.248 1.00 22.43 O HETATM 1460 O HOH 3 28.882 9.015 -8.882 1.00 32.61 O HETATM 1461 O HOH 4 7.637 21.588 -5.831 1.00 54.26 O HETATM 1462 O HOH 5 37.034 -11.534 -11.897 1.00 11.52 O HETATM 1463 O HOH 6 12.684 23.767 -10.243 1.00 13.01 O HETATM 1464 O HOH 7 21.088 -5.532 -3.110 1.00 54.54 O HETATM 1465 O HOH 8 15.652 -0.571 -0.603 1.00 26.91 O HETATM 1466 O HOH 9 24.980 -1.109 0.683 1.00 29.56 O HETATM 1467 O HOH 10 31.856 -15.230 -20.548 1.00 33.98 O HETATM 1468 O HOH 11 20.442 1.044 0.292 1.00 33.05 O HETATM 1469 O HOH 12 27.866 -12.306 -0.476 1.00 34.48 O HETATM 1470 O HOH 13 15.142 -3.440 -1.254 1.00 37.04 O HETATM 1471 O HOH 14 19.397 -15.592 -15.501 1.00 27.67 O HETATM 1472 O HOH 15 32.204 3.729 -19.803 1.00 32.22 O HETATM 1473 O HOH 16 27.251 9.991 -16.092 1.00 20.83 O HETATM 1474 O HOH 17 22.090 -10.136 -3.553 1.00 60.15 O HETATM 1475 O HOH 18 24.839 -1.311 -21.161 1.00 36.46 O HETATM 1476 O HOH 19 24.388 1.471 -18.970 1.00 31.94 O HETATM 1477 O HOH 20 2.285 13.368 -19.752 1.00 20.83 O HETATM 1478 O HOH 21 34.649 -15.888 -19.123 1.00 24.07 O HETATM 1479 O HOH 22 8.180 13.387 -10.216 1.00 17.66 O HETATM 1480 O HOH 23 11.474 19.692 -21.431 1.00 22.59 O HETATM 1481 O HOH 24 22.030 -7.733 -18.152 1.00 34.98 O HETATM 1482 O HOH 25 22.119 1.980 -19.571 1.00 25.95 O HETATM 1483 O HOH 26 26.306 -18.243 -17.772 1.00 14.41 O HETATM 1484 O HOH 27 12.379 23.985 -19.456 1.00 10.98 O HETATM 1485 O HOH 28 24.158 13.159 -3.919 1.00 39.12 O HETATM 1486 O HOH 29 20.850 16.120 -8.639 1.00 15.51 O HETATM 1487 O HOH 30 11.627 10.410 -21.749 1.00 30.21 O HETATM 1488 O HOH 31 4.220 8.905 -21.157 1.00 22.39 O HETATM 1489 O HOH 32 1.792 10.878 -7.614 1.00 13.92 O HETATM 1490 O HOH 33 2.277 -6.736 -15.807 1.00 35.21 O HETATM 1491 O HOH 34 5.410 19.319 -8.590 1.00 34.48 O HETATM 1492 O HOH 35 17.115 20.566 -10.509 1.00 22.67 O HETATM 1493 O HOH 36 5.956 2.756 -21.000 1.00 35.78 O HETATM 1494 O HOH 37 8.011 -3.849 -8.998 1.00 11.48 O HETATM 1495 O HOH 38 28.306 -3.635 -22.582 1.00 47.99 O HETATM 1496 O HOH 39 10.765 -9.569 -2.899 1.00 32.44 O HETATM 1497 O HOH 40 3.570 27.462 -14.997 1.00 19.29 O HETATM 1498 O HOH 41 8.240 18.807 -3.708 1.00 21.45 O HETATM 1499 O HOH 42 5.556 1.417 -6.810 1.00 28.04 O HETATM 1500 O HOH 43 16.248 -9.445 -16.452 1.00 28.63 O HETATM 1501 O HOH 44 32.792 5.772 -2.391 1.00 45.37 O HETATM 1502 O HOH 45 21.333 10.425 -21.712 1.00 32.31 O HETATM 1503 O HOH 46 14.008 12.562 -22.239 1.00 16.84 O HETATM 1504 O HOH 47 7.297 14.236 -25.524 1.00 12.02 O HETATM 1505 O HOH 48 2.360 -0.645 -11.152 1.00 23.69 O HETATM 1506 O HOH 49 18.128 15.157 -10.145 1.00 19.77 O HETATM 1507 O HOH 50 27.404 -0.794 -1.081 1.00 21.49 O HETATM 1508 O HOH 51 40.184 -10.137 -6.362 1.00 31.55 O HETATM 1509 O HOH 52 4.948 9.768 -4.968 1.00 11.99 O HETATM 1510 O HOH 53 36.513 -18.045 -18.554 1.00 36.41 O HETATM 1511 O HOH 54 12.821 -5.647 -21.015 1.00 58.62 O HETATM 1512 O HOH 55 22.696 17.050 -18.526 1.00 22.42 O HETATM 1513 O HOH 56 5.426 20.279 -6.080 1.00 33.67 O HETATM 1514 O HOH 57 30.618 5.811 -8.363 1.00 23.76 O HETATM 1515 O HOH 58 34.539 -3.736 -12.421 1.00 23.44 O HETATM 1516 O HOH 59 23.475 17.213 -5.161 1.00 32.92 O HETATM 1517 O HOH 60 7.649 -3.459 -6.595 1.00 13.92 O HETATM 1518 O HOH 61 38.781 -4.664 -8.450 1.00 18.91 O HETATM 1519 O HOH 62 36.403 -19.188 -12.809 1.00 27.46 O HETATM 1520 O HOH 63 30.554 -17.563 -3.515 1.00 26.70 O HETATM 1521 O HOH 64 11.848 7.121 -1.535 1.00 22.36 O HETATM 1522 O HOH 65 10.696 11.527 -3.216 1.00 24.40 O HETATM 1523 O HOH 66 18.613 -10.618 0.028 1.00 26.22 O HETATM 1524 O HOH 67 18.890 -20.427 -10.137 1.00 15.49 O HETATM 1525 O HOH 68 22.425 -22.578 -4.030 1.00 29.83 O HETATM 1526 O HOH 69 14.068 15.895 -26.919 1.00 45.38 O HETATM 1527 O HOH 70 34.522 -20.528 -20.145 1.00 17.38 O HETATM 1528 O HOH 71 4.919 5.948 -4.027 1.00 17.36 O HETATM 1529 O HOH 72 10.567 17.180 -2.870 1.00 15.91 O HETATM 1530 O HOH 73 13.239 -11.246 -16.229 1.00 32.38 O HETATM 1531 O HOH 74 5.850 17.475 -26.398 1.00 23.66 O HETATM 1532 O HOH 75 18.716 -7.153 -21.012 1.00 14.53 O HETATM 1533 O HOH 76 37.953 -19.949 -8.945 1.00 47.47 O HETATM 1534 O HOH 77 13.957 -18.573 -11.604 1.00 37.61 O HETATM 1535 O HOH 78 2.300 9.905 -12.177 1.00 13.50 O HETATM 1536 O HOH 79 8.757 20.773 -2.382 1.00 37.05 O HETATM 1537 O HOH 80 13.877 -9.366 -17.472 1.00 35.53 O HETATM 1538 O HOH 81 36.008 -19.939 -3.166 1.00 45.09 O HETATM 1539 O HOH 82 33.462 -22.061 -2.150 1.00 26.22 O HETATM 1540 O HOH 83 13.031 -3.270 -22.996 1.00 21.54 O HETATM 1541 O HOH 84 5.832 3.197 -4.792 1.00 30.20 O HETATM 1542 O HOH 85 12.392 19.889 -1.265 1.00 30.95 O HETATM 1543 O HOH 86 10.717 -5.646 -14.836 1.00 13.72 O HETATM 1544 O HOH 87 26.189 -10.951 -18.930 1.00 18.55 O HETATM 1545 O HOH 88 28.610 6.957 -9.458 1.00 26.44 O HETATM 1546 O HOH 89 10.036 16.084 -26.960 1.00 25.88 O HETATM 1547 O HOH 90 19.390 -15.869 -17.797 1.00 27.95 O HETATM 1548 O HOH 91 3.728 14.080 -26.199 1.00 42.91 O HETATM 1549 O HOH 92 31.806 14.403 -7.014 1.00 44.66 O HETATM 1550 O HOH 93 6.331 3.264 -2.774 1.00 16.51 O HETATM 1551 O HOH 94 35.790 3.739 -5.829 1.00 38.53 O HETATM 1552 O HOH 95 19.730 -8.092 -16.878 1.00 38.46 O HETATM 1553 O HOH 96 26.090 -12.864 0.681 1.00 21.92 O HETATM 1554 O HOH 97 10.952 23.320 -23.491 1.00 24.34 O HETATM 1555 O HOH 98 22.035 2.051 -21.852 1.00 25.69 O HETATM 1556 O HOH 99 7.551 8.748 -1.829 1.00 20.60 O HETATM 1557 O HOH 100 5.446 -8.396 -10.350 1.00 46.50 O HETATM 1558 O HOH 101 35.291 3.475 -13.585 1.00 32.55 O HETATM 1559 O HOH 102 3.383 26.949 -17.205 1.00 17.27 O HETATM 1560 O HOH 103 11.623 26.810 -6.339 1.00 27.21 O HETATM 1561 O HOH 104 8.297 -2.251 -3.672 1.00 26.50 O HETATM 1562 O HOH 105 25.110 -1.916 -23.354 1.00 20.24 O HETATM 1563 O HOH 106 14.757 22.625 -22.852 1.00 33.11 O HETATM 1564 O HOH 107 25.174 16.006 -3.631 1.00 34.83 O HETATM 1565 O HOH 108 22.512 18.358 -2.828 1.00 33.34 O HETATM 1566 O HOH 109 11.047 -7.013 0.640 1.00 35.50 O HETATM 1567 O HOH 110 9.763 20.043 -26.293 1.00 23.30 O HETATM 1568 O HOH 111 34.586 -0.289 -6.448 1.00 45.68 O HETATM 1569 O HOH 112 8.421 -2.137 -1.493 1.00 19.34 O HETATM 1570 O HOH 113 20.831 -6.677 -22.666 1.00 36.73 O HETATM 1571 O HOH 114 3.968 -5.667 -20.020 1.00 40.55 O HETATM 1572 O HOH 115 6.605 28.876 -12.642 1.00 45.42 O HETATM 1573 O HOH 116 31.743 -2.191 -21.106 1.00 38.43 O HETATM 1574 O HOH 117 18.338 13.824 -24.403 1.00 63.22 O HETATM 1575 O HOH 118 33.061 -11.216 -21.034 1.00 19.91 O HETATM 1576 O HOH 119 38.129 -4.065 -12.937 1.00 45.13 O HETATM 1577 O HOH 120 38.500 -22.403 -13.667 1.00 24.51 O HETATM 1578 O HOH 121 10.446 9.012 -1.236 1.00 17.67 O HETATM 1579 O HOH 122 6.001 -6.249 -5.877 1.00 36.96 O HETATM 1580 O HOH 123 0.872 28.267 -13.050 1.00 39.84 O HETATM 1581 O HOH 124 8.696 -8.381 -18.674 1.00 33.25 O HETATM 1582 O HOH 125 31.057 -8.298 -20.993 1.00 38.83 O HETATM 1583 O HOH 126 32.488 13.951 -4.142 1.00 32.79 O HETATM 1584 O HOH 127 15.847 -9.621 -19.117 1.00 27.10 O HETATM 1585 O HOH 128 14.857 -18.692 -13.690 1.00 25.36 O HETATM 1586 O HOH 129 35.871 -22.847 -19.726 1.00 25.94 O HETATM 1587 O HOH 130 21.119 -14.848 -19.868 1.00 49.48 O HETATM 1588 O HOH 131 4.494 29.504 -10.666 1.00 39.87 O HETATM 1589 O HOH 132 8.525 18.091 -26.814 1.00 27.85 O HETATM 1590 O HOH 133 30.021 1.140 -22.706 1.00 41.40 O HETATM 1591 O HOH 134 10.837 23.540 -25.696 1.00 22.92 O HETATM 1592 O HOH 135 20.604 -21.158 1.491 1.00 35.56 O HETATM 1593 O HOH 136 18.901 -19.178 -16.363 1.00 23.78 O HETATM 1594 O HOH 137 40.205 -5.175 -11.534 1.00 44.89 O HETATM 1595 O HOH 138 27.707 -16.632 0.127 1.00 56.66 O HETATM 1596 O HOH 139 0.326 2.136 -13.217 1.00 17.40 O HETATM 1597 O HOH 140 33.294 -8.553 -21.187 1.00 30.21 O HETATM 1598 O HOH 141 4.050 16.715 -6.516 1.00 29.68 O HETATM 1599 O HOH 142 6.250 -11.312 -7.026 1.00 47.66 O HETATM 1600 O HOH 143 4.598 -9.000 -18.638 1.00 29.49 O HETATM 1601 O HOH 144 35.016 11.348 -5.081 1.00 41.66 O HETATM 1602 O HOH 145 7.856 30.154 -6.761 1.00 36.18 O HETATM 1603 O HOH 146 7.769 0.422 -21.304 1.00 32.63 O HETATM 1604 O HOH 147 21.804 6.266 -23.698 1.00 25.03 O HETATM 1605 O HOH 148 7.607 28.790 -17.192 1.00 19.54 O HETATM 1606 O HOH 149 28.403 -20.880 -20.456 1.00 36.02 O HETATM 1607 O HOH 150 39.881 -8.295 -19.806 1.00 40.37 O HETATM 1608 O HOH 151 40.716 -13.770 -21.044 1.00 46.85 O HETATM 1609 O HOH 152 17.630 6.222 -25.608 1.00 32.28 O HETATM 1610 O HOH 153 16.268 -20.625 -13.418 1.00 26.17 O HETATM 1611 O HOH 154 -0.206 2.639 -11.525 1.00 27.28 O HETATM 1612 O HOH 155 34.893 -15.826 -22.474 1.00 27.29 O HETATM 1613 O HOH 156 21.287 -7.196 -24.836 1.00 16.42 O HETATM 1614 O HOH 157 36.110 9.899 -2.326 1.00 23.40 O HETATM 1615 O HOH 158 20.421 -19.677 -18.998 1.00 40.25 O HETATM 1616 O HOH 159 14.845 -8.964 -22.538 1.00 41.63 O HETATM 1617 O HOH 160 5.735 29.217 -17.004 1.00 32.37 O HETATM 1618 O HOH 161 33.039 0.263 -22.324 1.00 44.07 O HETATM 1619 O HOH 162 42.255 -20.481 -11.488 1.00 28.89 O HETATM 1620 O HOH 163 36.495 1.470 -5.980 1.00 49.06 O HETATM 1621 O HOH 164 32.774 -17.186 -23.367 1.00 43.56 O HETATM 1622 O HOH 165 2.143 -10.244 -14.834 1.00 41.89 O HETATM 1623 O HOH 166 6.512 29.678 -3.426 1.00 34.43 O HETATM 1624 O HOH 167 18.550 -22.782 -0.206 1.00 35.72 O HETATM 1625 O HOH 168 -0.436 7.883 -6.516 1.00 32.06 O HETATM 1626 O HOH 169 36.600 -6.042 -21.894 1.00 30.29 O HETATM 1627 O HOH 170 18.440 -19.521 -18.733 1.00 30.98 O HETATM 1628 O HOH 171 -1.586 -6.286 -17.389 1.00 32.52 O HETATM 1629 O HOH 172 -2.655 1.430 -13.958 1.00 25.56 O HETATM 1630 O HOH 173 14.842 -20.654 -15.515 1.00 33.34 O HETATM 1631 O HOH 174 6.471 -11.320 -17.918 1.00 45.31 O HETATM 1632 O HOH 175 -2.400 1.699 -11.464 1.00 32.86 O HETATM 1633 O HOH 176 39.700 -16.377 -22.409 1.00 35.29 O HETATM 1634 O HOH 177 44.324 -7.554 -12.619 1.00 36.05 O HETATM 1635 O HOH 178 43.009 -5.236 -11.810 1.00 28.79 O HETATM 1636 O HOH 179 5.338 31.508 -17.673 1.00 30.48 O HETATM 1637 O HOH 180 38.028 -18.973 -23.887 1.00 34.81 O HETATM 1638 O HOH 181 6.183 23.428 -30.156 1.00 24.47 O HETATM 1639 O HOH 182 45.031 -21.808 -13.480 1.00 30.43 O HETATM 1640 O HOH 183 3.884 26.187 -29.792 1.00 33.22 O HETATM 1641 O HOH 184 4.094 22.697 -32.073 1.00 56.07 O HETATM 1642 O HOH 185 1.858 -12.024 -8.045 1.00 25.07 O HETATM 1643 O HOH 186 17.072 -21.390 4.308 1.00 39.13 O HETATM 1644 O HOH 187 -4.918 1.822 -11.170 1.00 27.08 O HETATM 1645 O HOH 188 44.535 -13.945 -23.896 1.00 58.27 O HETATM 1646 O HOH 189 -5.317 2.771 -6.776 1.00 29.51 O HETATM 1647 C4 UNN A 190 8.390 17.095 -12.803 1.00 0.11 C HETATM 1648 C5 UNN A 190 7.348 17.625 -13.768 1.00 0.11 C HETATM 1649 C6 UNN A 190 7.985 17.527 -15.132 1.00 0.07 C HETATM 1650 O6 UNN A 190 8.244 16.172 -15.482 1.00 -0.39 O HETATM 1651 H16 UNN A 190 8.644 16.139 -16.343 1.00 0.21 H HETATM 1652 H3 UNN A 190 8.934 18.084 -15.126 1.00 0.06 H HETATM 1653 H4 UNN A 190 7.306 17.967 -15.878 1.00 0.06 H HETATM 1654 O5 UNN A 190 6.106 16.923 -13.654 1.00 -0.34 O HETATM 1655 C1 UNN A 190 5.600 16.933 -12.313 1.00 0.21 C HETATM 1656 O1 UNN A 190 5.291 18.265 -11.891 1.00 -0.28 O HETATM 1657 CAA UNN A 190 4.518 19.177 -12.589 1.00 0.10 C HETATM 1658 CAB UNN A 190 4.309 20.445 -12.038 1.00 -0.03 C HETATM 1659 CAC UNN A 190 3.532 21.403 -12.701 1.00 -0.06 C HETATM 1660 CAD UNN A 190 2.984 21.112 -13.956 1.00 -0.03 C HETATM 1661 CAG UNN A 190 2.143 22.158 -14.641 1.00 -0.02 C HETATM 1662 CAH UNN A 190 2.441 23.543 -14.515 1.00 -0.06 C HETATM 1663 CAI UNN A 190 1.630 24.502 -15.134 1.00 -0.06 C HETATM 1664 CAJ UNN A 190 0.518 24.103 -15.891 1.00 -0.06 C HETATM 1665 CAK UNN A 190 0.221 22.729 -16.036 1.00 -0.06 C HETATM 1666 CAL UNN A 190 1.030 21.759 -15.405 1.00 -0.06 C HETATM 1667 H10 UNN A 190 0.794 20.706 -15.509 1.00 0.06 H HETATM 1668 H9 UNN A 190 -0.629 22.419 -16.633 1.00 0.06 H HETATM 1669 H8 UNN A 190 -0.112 24.848 -16.364 1.00 0.06 H HETATM 1670 H7 UNN A 190 1.862 25.556 -15.028 1.00 0.06 H HETATM 1671 H6 UNN A 190 3.301 23.858 -13.936 1.00 0.06 H HETATM 1672 CAE UNN A 190 3.183 19.830 -14.499 1.00 -0.06 C HETATM 1673 CAF UNN A 190 3.960 18.890 -13.829 1.00 -0.03 C HETATM 1674 H14 UNN A 190 4.133 17.920 -14.281 1.00 0.05 H HETATM 1675 H13 UNN A 190 2.727 19.572 -15.448 1.00 0.06 H HETATM 1676 H11 UNN A 190 3.355 22.369 -12.243 1.00 0.06 H HETATM 1677 H12 UNN A 190 4.756 20.691 -11.082 1.00 0.05 H HETATM 1678 C2 UNN A 190 6.556 16.437 -11.259 1.00 0.14 C HETATM 1679 C3 UNN A 190 7.887 17.184 -11.397 1.00 0.11 C HETATM 1680 O3 UNN A 190 8.910 16.722 -10.570 1.00 -0.39 O HETATM 1681 H18 UNN A 190 9.680 17.265 -10.687 1.00 0.21 H HETATM 1682 H5 UNN A 190 7.699 18.239 -11.150 1.00 0.06 H HETATM 1683 O2 UNN A 190 6.685 15.029 -11.424 1.00 -0.38 O HETATM 1684 H20 UNN A 190 7.284 14.688 -10.770 1.00 0.21 H HETATM 1685 H19 UNN A 190 6.143 16.641 -10.260 1.00 0.07 H HETATM 1686 H15 UNN A 190 4.692 16.313 -12.294 1.00 0.10 H HETATM 1687 H2 UNN A 190 7.152 18.684 -13.543 1.00 0.06 H HETATM 1688 O4 UNN A 190 9.492 17.947 -12.862 1.00 -0.39 O HETATM 1689 H17 UNN A 190 9.856 17.931 -13.739 1.00 0.21 H HETATM 1690 H1 UNN A 190 8.665 16.061 -13.059 1.00 0.06 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1647 1648 1679 1688 1690 CONECT 1648 1647 1649 1654 1687 CONECT 1649 1648 1650 1652 1653 CONECT 1650 1649 1651 CONECT 1651 1650 CONECT 1652 1649 CONECT 1653 1649 CONECT 1654 1648 1655 CONECT 1655 1654 1656 1678 1686 CONECT 1656 1655 1657 CONECT 1657 1656 1658 1673 CONECT 1658 1657 1659 1677 CONECT 1659 1658 1660 1676 CONECT 1660 1659 1661 1672 CONECT 1661 1660 1662 1666 CONECT 1662 1661 1663 1671 CONECT 1663 1662 1664 1670 CONECT 1664 1663 1665 1669 CONECT 1665 1664 1666 1668 CONECT 1666 1661 1665 1667 CONECT 1667 1666 CONECT 1668 1665 CONECT 1669 1664 CONECT 1670 1663 CONECT 1671 1662 CONECT 1672 1660 1673 1675 CONECT 1673 1657 1672 1674 CONECT 1674 1673 CONECT 1675 1672 CONECT 1676 1659 CONECT 1677 1658 CONECT 1678 1655 1679 1683 1685 CONECT 1679 1647 1678 1680 1682 CONECT 1680 1679 1681 CONECT 1681 1680 CONECT 1682 1679 CONECT 1683 1678 1684 CONECT 1684 1683 CONECT 1685 1678 CONECT 1686 1655 CONECT 1687 1648 CONECT 1688 1647 1689 CONECT 1689 1688 CONECT 1690 1647 MASTER 0 0 0 0 0 0 0 0 1689 1 48 13 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5fwr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1tr7
RCSB PDB
PDBbind
164aa, >1TR7_1|Chains... at 96%
1uwf
RCSB PDB
PDBbind
158aa, >1UWF_1|Chain... at 100%
4att
RCSB PDB
PDBbind
158aa, >4ATT_1|Chain... at 100%
4auj
RCSB PDB
PDBbind
158aa, >4AUJ_1|Chain... at 100%
4auy
RCSB PDB
PDBbind
158aa, >4AUY_1|Chains... at 100%
4av0
RCSB PDB
PDBbind
158aa, >4AV0_1|Chains... at 100%
4av4
RCSB PDB
PDBbind
158aa, >4AV4_1|Chain... at 99%
4av5
RCSB PDB
PDBbind
158aa, >4AV5_1|Chains... at 100%
4avh
RCSB PDB
PDBbind
158aa, >4AVH_1|Chains... at 100%
4avi
RCSB PDB
PDBbind
158aa, >4AVI_1|Chains... at 100%
4avj
RCSB PDB
PDBbind
158aa, >4AVJ_1|Chains... at 100%
4buq
RCSB PDB
PDBbind
158aa, >4BUQ_1|Chains... at 100%
4ca4
RCSB PDB
PDBbind
158aa, >4CA4_1|Chains... at 99%
4css
RCSB PDB
PDBbind
163aa, >4CSS_1|Chain... at 97%
4cst
RCSB PDB
PDBbind
163aa, >4CST_1|Chain... at 97%
4lov
RCSB PDB
PDBbind
158aa, >4LOV_1|Chain... at 100%
4x50
RCSB PDB
PDBbind
160aa, >4X50_1|Chains... at 99%
4x5p
RCSB PDB
PDBbind
160aa, >4X5P_1|Chain... at 99%
4x5q
RCSB PDB
PDBbind
160aa, >4X5Q_1|Chain... at 99%
4x5r
RCSB PDB
PDBbind
160aa, >4X5R_1|Chains... at 99%
4xo8
RCSB PDB
PDBbind
158aa, >4XO8_1|Chains... at 100%
4xoc
RCSB PDB
PDBbind
159aa, >4XOC_1|Chains... at 98%
5f2f
RCSB PDB
PDBbind
158aa, >5F2F_1|Chain... at 100%
5fs5
RCSB PDB
PDBbind
158aa, >5FS5_1|Chain... at 99%
5mts
RCSB PDB
PDBbind
300aa, >5MTS_1|Chains... *
5muc
RCSB PDB
PDBbind
158aa, >5MUC_1|Chains... at 100%
6g2s
RCSB PDB
PDBbind
158aa, >6G2S_1|Chains... at 100%
6g2r
RCSB PDB
PDBbind
158aa, >6G2R_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4x50
RCSB PDB
PDBbind
3X8
Entry Information
PDB ID
5fwr
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
wildtype universal Escherichia coli fimbrial adhesin FimH
Ligand Name
3X8
EC.Number
E.C.-.-.-.-
Resolution
2.13(Å)
Affinity (Kd/Ki/IC50)
Kd=17.7nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Iucrj Vol. 4: pp. 7-23
Ligand Properties
Formula
C
1
8
H
2
0
O
6
Molecular Weight
332.348
Exact Mass
332.126
No. of atoms
44
No. of bonds
46
Polar Surface Area
99.38
LOGP Value
1.39 (
Computed with XLOGP3
)
0.53 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@H](Oc2ccc(cc2)c2ccccc2)[C@H]([C@H]([C@@H]1O)O)O
InChI String
InChI=1S/C18H20O6/c19-10-14-15(20)16(21)17(22)18(24-14)23-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-22H,10H2/t14-,15-,16+,17+,18+/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
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com