Browse entries in the PDBbind-CN Database
HEADER 5IVN_COMPLEX COMPND 5IVN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 GLN VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL GLN SEQRES 2 A 123 PRO GLY GLY SER LEU THR LEU SER CYS THR ALA SER GLY SEQRES 3 A 123 PHE THR LEU ASP HIS TYR ASP ILE GLY TRP PHE ARG GLN SEQRES 4 A 123 ALA PRO GLY LYS GLU ARG GLU GLY VAL SER CYS ILE ASN SEQRES 5 A 123 ASN SER ASP ASP ASP THR TYR TYR ALA ASP SER VAL LYS SEQRES 6 A 123 GLY ARG PHE THR ILE PHE MET ASN ASN ALA LYS ASP THR SEQRES 7 A 123 VAL TYR LEU GLN MET ASN SER LEU LYS PRO GLU ASP THR SEQRES 8 A 123 ALA ILE TYR TYR CYS ALA GLU ALA ARG GLY CYS LYS ARG SEQRES 9 A 123 GLY ARG TYR GLU TYR ASP PHE TRP GLY GLN GLY THR GLN SEQRES 10 A 123 VAL THR VAL SER SER LYS HET N A 7P 203 SSBOND 1 CYS A 22 CYS A 96 SSBOND 2 CYS A 50 CYS A 102 ATOM 1 C GLN A 1 -5.296 4.321 6.727 1.00 97.18 C ATOM 2 N VAL A 2 -5.577 3.001 6.544 1.00 90.82 N ATOM 3 CA VAL A 2 -6.529 2.569 5.510 1.00 25.41 C ATOM 4 C VAL A 2 -7.875 3.254 5.702 1.00 18.53 C ATOM 5 O VAL A 2 -8.369 3.314 6.779 1.00 28.65 O ATOM 6 CB VAL A 2 -6.710 1.017 5.493 1.00 24.49 C ATOM 7 CG1 VAL A 2 -7.514 0.488 6.657 1.00 24.02 C ATOM 8 CG2 VAL A 2 -7.364 0.625 4.259 1.00 18.65 C ATOM 9 H VAL A 2 -5.112 2.289 7.143 1.00 0.00 H ATOM 10 N GLN A 3 -8.441 3.784 4.624 1.00 14.53 N ATOM 11 CA GLN A 3 -9.676 4.518 4.630 1.00 10.89 C ATOM 12 C GLN A 3 -10.721 3.727 3.888 1.00 7.89 C ATOM 13 O GLN A 3 -10.730 3.714 2.638 1.00 9.89 O ATOM 14 CB GLN A 3 -9.436 5.879 4.011 1.00 13.57 C ATOM 15 CG GLN A 3 -8.457 6.729 4.792 1.00 19.90 C ATOM 16 CD GLN A 3 -8.321 8.135 4.255 1.00 23.99 C ATOM 17 OE1 GLN A 3 -9.133 8.606 3.441 1.00 34.33 O ATOM 18 NE2 GLN A 3 -7.267 8.794 4.653 1.00 33.32 N ATOM 19 HE22 GLN A 3 -6.612 8.363 5.336 1.00 0.00 H ATOM 20 HE21 GLN A 3 -7.082 9.750 4.287 1.00 0.00 H ATOM 21 H GLN A 3 -7.957 3.659 3.712 1.00 0.00 H ATOM 22 N LEU A 4 -11.547 3.027 4.647 1.00 7.77 N ATOM 23 CA LEU A 4 -12.519 2.089 4.129 1.00 7.08 C ATOM 24 C LEU A 4 -13.888 2.724 4.029 1.00 7.43 C ATOM 25 O LEU A 4 -14.289 3.437 4.950 1.00 10.28 O ATOM 26 CB LEU A 4 -12.622 0.876 5.090 1.00 7.79 C ATOM 27 CG LEU A 4 -11.333 0.055 5.201 1.00 8.39 C ATOM 28 CD1 LEU A 4 -11.340 -0.785 6.493 1.00 10.92 C ATOM 29 CD2 LEU A 4 -11.153 -0.843 4.021 1.00 8.73 C ATOM 30 H LEU A 4 -11.495 3.159 5.677 1.00 0.00 H ATOM 31 N VAL A 5 -14.641 2.345 2.960 1.00 6.33 N ATOM 32 CA VAL A 5 -16.009 2.862 2.657 1.00 6.35 C ATOM 33 C VAL A 5 -16.942 1.692 2.336 1.00 7.79 C ATOM 34 O VAL A 5 -16.509 0.623 1.890 1.00 7.23 O ATOM 35 CB VAL A 5 -15.989 3.890 1.465 1.00 5.13 C ATOM 36 CG1 VAL A 5 -15.849 3.161 0.094 1.00 5.90 C ATOM 37 CG2 VAL A 5 -17.237 4.748 1.510 1.00 5.57 C ATOM 38 H VAL A 5 -14.234 1.645 2.307 1.00 0.00 H ATOM 39 N GLU A 6 -18.226 1.872 2.651 1.00 5.23 N ATOM 40 CA GLU A 6 -19.245 0.843 2.513 1.00 5.27 C ATOM 41 C GLU A 6 -20.098 1.002 1.277 1.00 5.19 C ATOM 42 O GLU A 6 -20.401 2.137 0.879 1.00 6.07 O ATOM 43 CB GLU A 6 -20.204 0.922 3.734 1.00 5.98 C ATOM 44 CG GLU A 6 -19.490 0.919 5.066 1.00 6.52 C ATOM 45 CD GLU A 6 -18.994 2.254 5.574 1.00 6.72 C ATOM 46 OE1 GLU A 6 -19.136 3.303 4.878 1.00 7.19 O ATOM 47 OE2 GLU A 6 -18.488 2.245 6.724 1.00 7.96 O ATOM 48 H GLU A 6 -18.515 2.802 3.016 1.00 0.00 H ATOM 49 N SER A 7 -20.606 -0.107 0.785 1.00 5.14 N ATOM 50 CA SER A 7 -21.600 -0.117 -0.269 1.00 5.14 C ATOM 51 C SER A 7 -22.444 -1.364 -0.138 1.00 5.15 C ATOM 52 O SER A 7 -22.023 -2.365 0.448 1.00 5.83 O ATOM 53 CB SER A 7 -20.888 -0.077 -1.641 1.00 5.45 C ATOM 54 OG SER A 7 -21.793 -0.050 -2.713 1.00 6.21 O ATOM 55 HG SER A 7 -22.360 -0.861 -2.686 1.00 0.00 H ATOM 56 H SER A 7 -20.280 -1.017 1.169 1.00 0.00 H ATOM 57 N GLY A 8 -23.648 -1.325 -0.736 1.00 5.38 N ATOM 58 CA GLY A 8 -24.473 -2.502 -0.932 1.00 5.24 C ATOM 59 C GLY A 8 -25.811 -2.524 -0.209 1.00 5.37 C ATOM 60 O GLY A 8 -26.527 -3.522 -0.285 1.00 6.05 O ATOM 61 H GLY A 8 -24.004 -0.408 -1.074 1.00 0.00 H ATOM 62 N GLY A 9 -26.143 -1.443 0.492 1.00 5.53 N ATOM 63 CA GLY A 9 -27.405 -1.351 1.194 1.00 5.75 C ATOM 64 C GLY A 9 -28.594 -1.277 0.280 1.00 5.48 C ATOM 65 O GLY A 9 -28.499 -1.298 -0.960 1.00 6.09 O ATOM 66 H GLY A 9 -25.479 -0.644 0.537 1.00 0.00 H ATOM 67 N GLY A 10 -29.761 -1.209 0.896 1.00 7.41 N ATOM 68 CA GLY A 10 -31.022 -1.171 0.166 1.00 8.76 C ATOM 69 C GLY A 10 -32.159 -1.505 1.101 1.00 6.66 C ATOM 70 O GLY A 10 -31.951 -1.715 2.304 1.00 7.94 O ATOM 71 H GLY A 10 -29.780 -1.182 1.935 1.00 0.00 H ATOM 72 N LEU A 11 -33.348 -1.573 0.557 1.00 6.45 N ATOM 73 CA LEU A 11 -34.517 -1.999 1.334 1.00 7.11 C ATOM 74 C LEU A 11 -34.969 -3.332 0.757 1.00 6.52 C ATOM 75 O LEU A 11 -35.165 -3.481 -0.471 1.00 6.35 O ATOM 76 CB LEU A 11 -35.628 -0.963 1.247 1.00 5.78 C ATOM 77 CG LEU A 11 -36.877 -1.263 2.093 1.00 6.87 C ATOM 78 CD1 LEU A 11 -37.584 0.024 2.400 1.00 9.00 C ATOM 79 CD2 LEU A 11 -37.832 -2.240 1.417 1.00 8.72 C ATOM 80 H LEU A 11 -33.466 -1.320 -0.445 1.00 0.00 H ATOM 81 N VAL A 12 -35.015 -4.348 1.603 1.00 6.41 N ATOM 82 CA VAL A 12 -35.367 -5.687 1.171 1.00 7.79 C ATOM 83 C VAL A 12 -36.463 -6.191 2.025 1.00 7.53 C ATOM 84 O VAL A 12 -36.646 -5.751 3.141 1.00 8.59 O ATOM 85 CB VAL A 12 -34.198 -6.670 1.278 1.00 9.41 C ATOM 86 CG1 VAL A 12 -33.072 -6.277 0.367 1.00 15.05 C ATOM 87 CG2 VAL A 12 -33.699 -6.795 2.730 1.00 14.61 C ATOM 88 H VAL A 12 -34.793 -4.182 2.605 1.00 0.00 H ATOM 89 N GLN A 13 -37.171 -7.153 1.502 1.00 9.71 N ATOM 90 CA GLN A 13 -38.214 -7.804 2.324 1.00 13.79 C ATOM 91 C GLN A 13 -37.665 -8.859 3.176 1.00 9.75 C ATOM 92 O GLN A 13 -36.673 -9.495 2.913 1.00 8.38 O ATOM 93 CB GLN A 13 -39.444 -8.355 1.558 1.00 11.13 C ATOM 94 CG GLN A 13 -39.266 -9.731 1.050 1.00 10.86 C ATOM 95 CD GLN A 13 -40.176 -10.062 -0.145 1.00 10.32 C ATOM 96 OE1 GLN A 13 -40.492 -9.198 -1.007 1.00 14.88 O ATOM 97 NE2 GLN A 13 -40.614 -11.302 -0.193 1.00 11.58 N ATOM 98 HE22 GLN A 13 -40.328 -11.983 0.539 1.00 0.00 H ATOM 99 HE21 GLN A 13 -41.246 -11.601 -0.963 1.00 0.00 H ATOM 100 H GLN A 13 -37.005 -7.458 0.522 1.00 0.00 H ATOM 101 N PRO A 14 -38.296 -9.010 4.349 1.00 9.95 N ATOM 102 CA PRO A 14 -37.848 -10.002 5.297 1.00 8.81 C ATOM 103 C PRO A 14 -37.737 -11.352 4.645 1.00 6.80 C ATOM 104 O PRO A 14 -38.627 -11.753 3.880 1.00 7.44 O ATOM 105 CB PRO A 14 -38.911 -9.968 6.412 1.00 12.26 C ATOM 106 CG PRO A 14 -39.396 -8.529 6.353 1.00 16.38 C ATOM 107 CD PRO A 14 -39.439 -8.245 4.867 1.00 16.06 C ATOM 108 N GLY A 15 -36.629 -12.049 4.931 1.00 6.76 N ATOM 109 CA GLY A 15 -36.305 -13.289 4.294 1.00 7.07 C ATOM 110 C GLY A 15 -35.328 -13.160 3.135 1.00 6.26 C ATOM 111 O GLY A 15 -34.808 -14.160 2.671 1.00 8.25 O ATOM 112 H GLY A 15 -35.976 -11.672 5.647 1.00 0.00 H ATOM 113 N GLY A 16 -35.104 -11.918 2.694 1.00 6.08 N ATOM 114 CA GLY A 16 -34.150 -11.673 1.630 1.00 6.23 C ATOM 115 C GLY A 16 -32.718 -11.576 2.116 1.00 5.38 C ATOM 116 O GLY A 16 -32.378 -11.966 3.229 1.00 6.38 O ATOM 117 H GLY A 16 -35.619 -11.120 3.118 1.00 0.00 H ATOM 118 N SER A 17 -31.848 -11.089 1.226 1.00 5.84 N ATOM 119 CA SER A 17 -30.416 -11.087 1.487 1.00 5.45 C ATOM 120 C SER A 17 -29.761 -9.945 0.757 1.00 5.41 C ATOM 121 O SER A 17 -30.290 -9.403 -0.209 1.00 6.98 O ATOM 122 CB SER A 17 -29.832 -12.421 1.037 1.00 5.87 C ATOM 123 OG SER A 17 -29.973 -12.645 -0.359 1.00 7.06 O ATOM 124 HG SER A 17 -29.578 -13.522 -0.593 1.00 0.00 H ATOM 125 H SER A 17 -32.202 -10.703 0.327 1.00 0.00 H ATOM 126 N LEU A 18 -28.562 -9.593 1.227 1.00 5.25 N ATOM 127 CA LEU A 18 -27.737 -8.567 0.593 1.00 5.40 C ATOM 128 C LEU A 18 -26.283 -8.985 0.712 1.00 5.50 C ATOM 129 O LEU A 18 -25.930 -9.714 1.603 1.00 7.81 O ATOM 130 CB LEU A 18 -27.876 -7.184 1.255 1.00 6.49 C ATOM 131 CG LEU A 18 -29.194 -6.495 1.108 1.00 7.80 C ATOM 132 CD1 LEU A 18 -29.244 -5.275 2.028 1.00 11.39 C ATOM 133 CD2 LEU A 18 -29.433 -6.040 -0.313 1.00 10.48 C ATOM 134 H LEU A 18 -28.201 -10.068 2.079 1.00 0.00 H ATOM 135 N THR A 19 -25.443 -8.458 -0.171 1.00 5.73 N ATOM 136 CA THR A 19 -23.999 -8.566 -0.053 1.00 5.88 C ATOM 137 C THR A 19 -23.444 -7.169 0.075 1.00 5.83 C ATOM 138 O THR A 19 -23.531 -6.372 -0.865 1.00 6.78 O ATOM 139 CB THR A 19 -23.381 -9.255 -1.271 1.00 6.53 C ATOM 140 OG1 THR A 19 -24.103 -10.441 -1.625 1.00 7.27 O ATOM 141 CG2 THR A 19 -21.910 -9.588 -1.007 1.00 8.23 C ATOM 142 HG1 THR A 19 -24.088 -11.075 -0.864 1.00 0.00 H ATOM 143 H THR A 19 -25.837 -7.944 -0.985 1.00 0.00 H ATOM 144 N LEU A 20 -22.819 -6.859 1.229 1.00 5.18 N ATOM 145 CA LEU A 20 -22.179 -5.550 1.396 1.00 4.76 C ATOM 146 C LEU A 20 -20.703 -5.642 1.017 1.00 4.92 C ATOM 147 O LEU A 20 -20.111 -6.711 1.071 1.00 5.47 O ATOM 148 CB LEU A 20 -22.292 -5.043 2.829 1.00 5.28 C ATOM 149 CG LEU A 20 -23.695 -5.051 3.452 1.00 5.69 C ATOM 150 CD1 LEU A 20 -23.649 -4.379 4.798 1.00 6.71 C ATOM 151 CD2 LEU A 20 -24.712 -4.394 2.530 1.00 6.18 C ATOM 152 H LEU A 20 -22.791 -7.552 2.004 1.00 0.00 H ATOM 153 N SER A 21 -20.150 -4.496 0.648 1.00 4.85 N ATOM 154 CA SER A 21 -18.757 -4.389 0.270 1.00 5.21 C ATOM 155 C SER A 21 -18.084 -3.281 1.083 1.00 4.93 C ATOM 156 O SER A 21 -18.613 -2.206 1.274 1.00 6.54 O ATOM 157 CB SER A 21 -18.616 -4.042 -1.201 1.00 6.81 C ATOM 158 OG SER A 21 -19.130 -5.065 -2.020 1.00 8.86 O ATOM 159 HG SER A 21 -20.090 -5.197 -1.818 1.00 0.00 H ATOM 160 H SER A 21 -20.740 -3.640 0.629 1.00 0.00 H ATOM 161 N CYS A 22 -16.855 -3.583 1.545 1.00 5.06 N ATOM 162 CA CYS A 22 -16.017 -2.656 2.264 1.00 5.19 C ATOM 163 C CYS A 22 -14.705 -2.554 1.482 1.00 5.03 C ATOM 164 O CYS A 22 -14.031 -3.567 1.298 1.00 5.81 O ATOM 165 CB CYS A 22 -15.752 -3.182 3.681 1.00 5.44 C ATOM 166 SG CYS A 22 -14.662 -2.155 4.671 1.00 6.26 S ATOM 167 H CYS A 22 -16.489 -4.541 1.373 1.00 0.00 H ATOM 168 N THR A 23 -14.392 -1.357 0.970 1.00 5.10 N ATOM 169 CA THR A 23 -13.265 -1.171 0.077 1.00 5.67 C ATOM 170 C THR A 23 -12.453 0.055 0.493 1.00 5.48 C ATOM 171 O THR A 23 -12.942 0.963 1.141 1.00 5.93 O ATOM 172 CB THR A 23 -13.749 -0.995 -1.385 1.00 6.51 C ATOM 173 OG1 THR A 23 -14.566 0.167 -1.505 1.00 6.79 O ATOM 174 CG2 THR A 23 -14.492 -2.223 -1.910 1.00 6.94 C ATOM 175 HG1 THR A 23 -15.355 0.077 -0.914 1.00 0.00 H ATOM 176 H THR A 23 -14.976 -0.534 1.221 1.00 0.00 H ATOM 177 N ALA A 24 -11.215 0.078 -0.017 1.00 6.48 N ATOM 178 CA ALA A 24 -10.285 1.206 0.189 1.00 7.54 C ATOM 179 C ALA A 24 -9.665 1.541 -1.163 1.00 7.71 C ATOM 180 O ALA A 24 -8.486 1.358 -1.398 1.00 9.34 O ATOM 181 CB ALA A 24 -9.220 0.871 1.210 1.00 9.67 C ATOM 182 H ALA A 24 -10.895 -0.734 -0.583 1.00 0.00 H ATOM 183 N SER A 25 -10.518 2.051 -2.052 1.00 8.35 N ATOM 184 CA SER A 25 -10.061 2.636 -3.331 1.00 10.69 C ATOM 185 C SER A 25 -9.402 1.651 -4.247 1.00 11.65 C ATOM 186 O SER A 25 -8.678 2.048 -5.157 1.00 16.39 O ATOM 187 CB SER A 25 -9.157 3.829 -3.081 1.00 12.57 C ATOM 188 OG SER A 25 -9.789 4.787 -2.232 1.00 14.59 O ATOM 189 HG SER A 25 -10.623 5.106 -2.660 1.00 0.00 H ATOM 190 H SER A 25 -11.536 2.037 -1.839 1.00 0.00 H ATOM 191 N GLY A 26 -9.639 0.381 -4.061 1.00 10.82 N ATOM 192 CA GLY A 26 -9.059 -0.625 -4.888 1.00 12.12 C ATOM 193 C GLY A 26 -7.767 -1.204 -4.392 1.00 11.34 C ATOM 194 O GLY A 26 -7.237 -2.142 -4.980 1.00 15.19 O ATOM 195 H GLY A 26 -10.270 0.094 -3.286 1.00 0.00 H ATOM 196 N PHE A 27 -7.190 -0.590 -3.317 1.00 11.55 N ATOM 197 CA PHE A 27 -6.027 -1.127 -2.668 1.00 12.39 C ATOM 198 C PHE A 27 -6.345 -2.503 -2.083 1.00 10.75 C ATOM 199 O PHE A 27 -7.441 -2.712 -1.573 1.00 11.83 O ATOM 200 CB PHE A 27 -5.490 -0.199 -1.560 1.00 14.67 C ATOM 201 CG PHE A 27 -4.942 1.128 -2.067 1.00 22.51 C ATOM 202 CD1 PHE A 27 -3.746 1.178 -2.786 1.00 27.72 C ATOM 203 CD2 PHE A 27 -5.538 2.300 -1.703 1.00 29.19 C ATOM 204 CE1 PHE A 27 -3.239 2.397 -3.223 1.00 49.57 C ATOM 205 CE2 PHE A 27 -5.054 3.526 -2.155 1.00 49.41 C ATOM 206 CZ PHE A 27 -3.895 3.562 -2.903 1.00 56.64 C ATOM 207 H PHE A 27 -7.605 0.293 -2.958 1.00 0.00 H ATOM 208 N THR A 28 -5.342 -3.377 -1.980 1.00 11.79 N ATOM 209 CA THR A 28 -5.554 -4.654 -1.357 1.00 10.23 C ATOM 210 C THR A 28 -5.576 -4.583 0.172 1.00 10.73 C ATOM 211 O THR A 28 -4.942 -3.729 0.803 1.00 11.79 O ATOM 212 CB THR A 28 -4.541 -5.717 -1.847 1.00 11.83 C ATOM 213 OG1 THR A 28 -3.240 -5.222 -1.656 1.00 15.44 O ATOM 214 CG2 THR A 28 -4.757 -6.016 -3.306 1.00 14.10 C ATOM 215 HG1 THR A 28 -3.096 -5.038 -0.694 1.00 0.00 H ATOM 216 H THR A 28 -4.402 -3.133 -2.353 1.00 0.00 H ATOM 217 N LEU A 29 -6.378 -5.463 0.754 1.00 9.58 N ATOM 218 CA LEU A 29 -6.760 -5.410 2.172 1.00 9.56 C ATOM 219 C LEU A 29 -6.266 -6.583 2.985 1.00 9.94 C ATOM 220 O LEU A 29 -6.590 -6.690 4.183 1.00 11.25 O ATOM 221 CB LEU A 29 -8.281 -5.318 2.297 1.00 10.30 C ATOM 222 CG LEU A 29 -8.913 -4.210 1.549 1.00 11.50 C ATOM 223 CD1 LEU A 29 -10.424 -4.217 1.702 1.00 11.20 C ATOM 224 CD2 LEU A 29 -8.359 -2.858 2.030 1.00 14.36 C ATOM 225 H LEU A 29 -6.759 -6.237 0.173 1.00 0.00 H ATOM 226 N ASP A 30 -5.522 -7.471 2.375 1.00 10.57 N ATOM 227 CA ASP A 30 -5.175 -8.750 3.038 1.00 12.63 C ATOM 228 C ASP A 30 -4.203 -8.598 4.220 1.00 12.03 C ATOM 229 O ASP A 30 -4.021 -9.581 4.956 1.00 14.10 O ATOM 230 CB ASP A 30 -4.626 -9.756 2.043 1.00 17.52 C ATOM 231 CG ASP A 30 -3.498 -9.208 1.228 1.00 18.38 C ATOM 232 OD1 ASP A 30 -3.783 -8.339 0.434 1.00 17.71 O ATOM 233 OD2 ASP A 30 -2.378 -9.804 1.247 1.00 36.19 O ATOM 234 H ASP A 30 -5.171 -7.277 1.415 1.00 0.00 H ATOM 235 N HIS A 31 -3.596 -7.422 4.411 1.00 11.30 N ATOM 236 CA HIS A 31 -2.827 -7.230 5.634 1.00 14.06 C ATOM 237 C HIS A 31 -3.693 -6.953 6.845 1.00 13.14 C ATOM 238 O HIS A 31 -3.199 -7.072 8.005 1.00 12.35 O ATOM 239 CB HIS A 31 -1.815 -6.069 5.525 1.00 19.94 C ATOM 240 CG HIS A 31 -0.729 -6.223 4.532 1.00 21.59 C ATOM 241 ND1 HIS A 31 -0.441 -7.377 3.830 1.00 24.64 N ATOM 242 CD2 HIS A 31 0.139 -5.299 4.085 1.00 38.42 C ATOM 243 CE1 HIS A 31 0.655 -7.189 3.099 1.00 49.33 C ATOM 244 NE2 HIS A 31 1.044 -5.941 3.260 1.00 69.69 N ATOM 245 H HIS A 31 -3.671 -6.663 3.704 1.00 0.00 H ATOM 246 N TYR A 32 -4.906 -6.401 6.628 1.00 9.95 N ATOM 247 CA TYR A 32 -5.694 -5.765 7.701 1.00 9.90 C ATOM 248 C TYR A 32 -6.691 -6.667 8.319 1.00 8.56 C ATOM 249 O TYR A 32 -7.186 -7.613 7.710 1.00 11.02 O ATOM 250 CB TYR A 32 -6.425 -4.547 7.135 1.00 12.14 C ATOM 251 CG TYR A 32 -5.534 -3.490 6.570 1.00 13.33 C ATOM 252 CD1 TYR A 32 -4.799 -2.656 7.392 1.00 21.78 C ATOM 253 CD2 TYR A 32 -5.323 -3.354 5.191 1.00 19.20 C ATOM 254 CE1 TYR A 32 -3.971 -1.686 6.871 1.00 26.68 C ATOM 255 CE2 TYR A 32 -4.488 -2.388 4.675 1.00 31.11 C ATOM 256 CZ TYR A 32 -3.807 -1.588 5.514 1.00 27.54 C ATOM 257 OH TYR A 32 -2.905 -0.665 4.995 1.00 56.04 O ATOM 258 HH TYR A 32 -2.490 -0.158 5.737 1.00 0.00 H ATOM 259 H TYR A 32 -5.301 -6.425 5.666 1.00 0.00 H ATOM 260 N ASP A 33 -7.024 -6.343 9.549 1.00 7.06 N ATOM 261 CA ASP A 33 -8.194 -6.918 10.210 1.00 6.61 C ATOM 262 C ASP A 33 -9.315 -5.938 10.101 1.00 5.76 C ATOM 263 O ASP A 33 -9.161 -4.762 10.434 1.00 6.56 O ATOM 264 CB ASP A 33 -7.884 -7.176 11.656 1.00 7.30 C ATOM 265 CG ASP A 33 -6.769 -8.189 11.863 1.00 8.36 C ATOM 266 OD1 ASP A 33 -6.420 -8.936 10.933 1.00 10.13 O ATOM 267 OD2 ASP A 33 -6.270 -8.264 13.007 1.00 11.97 O ATOM 268 H ASP A 33 -6.438 -5.658 10.067 1.00 0.00 H ATOM 269 N ILE A 34 -10.467 -6.383 9.569 1.00 5.46 N ATOM 270 CA ILE A 34 -11.568 -5.489 9.221 1.00 5.66 C ATOM 271 C ILE A 34 -12.852 -5.974 9.846 1.00 4.95 C ATOM 272 O ILE A 34 -13.192 -7.157 9.753 1.00 5.46 O ATOM 273 CB ILE A 34 -11.679 -5.335 7.692 1.00 6.20 C ATOM 274 CG1 ILE A 34 -10.438 -4.560 7.209 1.00 9.38 C ATOM 275 CG2 ILE A 34 -12.971 -4.619 7.306 1.00 6.68 C ATOM 276 CD1 ILE A 34 -10.243 -4.464 5.734 1.00 9.21 C ATOM 277 H ILE A 34 -10.578 -7.403 9.399 1.00 0.00 H ATOM 278 N GLY A 35 -13.535 -5.053 10.532 1.00 5.10 N ATOM 279 CA GLY A 35 -14.829 -5.302 11.109 1.00 5.11 C ATOM 280 C GLY A 35 -15.959 -4.667 10.329 1.00 4.80 C ATOM 281 O GLY A 35 -15.834 -3.559 9.830 1.00 5.40 O ATOM 282 H GLY A 35 -13.111 -4.111 10.655 1.00 0.00 H ATOM 283 N TRP A 36 -17.092 -5.404 10.314 1.00 4.64 N ATOM 284 CA TRP A 36 -18.374 -4.876 9.943 1.00 4.75 C ATOM 285 C TRP A 36 -19.202 -4.640 11.190 1.00 5.12 C ATOM 286 O TRP A 36 -19.281 -5.550 12.065 1.00 5.43 O ATOM 287 CB TRP A 36 -19.123 -5.836 8.987 1.00 5.08 C ATOM 288 CG TRP A 36 -18.794 -5.621 7.540 1.00 5.09 C ATOM 289 CD1 TRP A 36 -17.967 -6.381 6.733 1.00 5.25 C ATOM 290 CD2 TRP A 36 -19.330 -4.581 6.726 1.00 4.85 C ATOM 291 NE1 TRP A 36 -17.984 -5.855 5.442 1.00 5.55 N ATOM 292 CE2 TRP A 36 -18.815 -4.750 5.427 1.00 5.33 C ATOM 293 CE3 TRP A 36 -20.182 -3.505 6.973 1.00 5.34 C ATOM 294 CZ2 TRP A 36 -19.158 -3.893 4.380 1.00 5.85 C ATOM 295 CZ3 TRP A 36 -20.482 -2.632 5.945 1.00 5.94 C ATOM 296 CH2 TRP A 36 -19.974 -2.844 4.661 1.00 5.96 C ATOM 297 HE1 TRP A 36 -17.459 -6.231 4.627 1.00 0.00 H ATOM 298 H TRP A 36 -17.032 -6.406 10.586 1.00 0.00 H ATOM 299 N PHE A 37 -19.795 -3.478 11.266 1.00 5.25 N ATOM 300 CA PHE A 37 -20.531 -2.988 12.426 1.00 5.51 C ATOM 301 C PHE A 37 -21.874 -2.500 11.955 1.00 5.57 C ATOM 302 O PHE A 37 -22.084 -2.266 10.723 1.00 5.89 O ATOM 303 CB PHE A 37 -19.791 -1.762 13.048 1.00 6.04 C ATOM 304 CG PHE A 37 -18.398 -2.079 13.522 1.00 5.68 C ATOM 305 CD1 PHE A 37 -17.319 -2.077 12.631 1.00 5.51 C ATOM 306 CD2 PHE A 37 -18.125 -2.369 14.845 1.00 6.50 C ATOM 307 CE1 PHE A 37 -16.032 -2.359 13.070 1.00 6.50 C ATOM 308 CE2 PHE A 37 -16.854 -2.653 15.281 1.00 7.15 C ATOM 309 CZ PHE A 37 -15.810 -2.624 14.408 1.00 6.82 C ATOM 310 H PHE A 37 -19.738 -2.855 10.435 1.00 0.00 H ATOM 311 N ARG A 38 -22.802 -2.253 12.885 1.00 5.39 N ATOM 312 CA ARG A 38 -24.050 -1.616 12.496 1.00 5.75 C ATOM 313 C ARG A 38 -24.577 -0.796 13.659 1.00 5.78 C ATOM 314 O ARG A 38 -24.274 -1.080 14.822 1.00 7.11 O ATOM 315 CB ARG A 38 -25.102 -2.676 12.072 1.00 6.19 C ATOM 316 CG ARG A 38 -25.561 -3.569 13.196 1.00 6.58 C ATOM 317 CD ARG A 38 -26.455 -4.692 12.679 1.00 6.46 C ATOM 318 NE ARG A 38 -26.816 -5.613 13.728 1.00 7.32 N ATOM 319 CZ ARG A 38 -27.551 -6.682 13.546 1.00 7.08 C ATOM 320 NH1 ARG A 38 -27.981 -7.006 12.334 1.00 7.02 N ATOM 321 NH2 ARG A 38 -27.851 -7.444 14.578 1.00 8.82 N ATOM 322 HE ARG A 38 -26.471 -5.416 14.689 1.00 0.00 H ATOM 323 HH12 ARG A 38 -28.564 -7.857 12.199 1.00 0.00 H ATOM 324 HH11 ARG A 38 -27.735 -6.409 11.518 1.00 0.00 H ATOM 325 HH22 ARG A 38 -28.434 -8.295 14.444 1.00 0.00 H ATOM 326 HH21 ARG A 38 -27.505 -7.195 15.527 1.00 0.00 H ATOM 327 H ARG A 38 -22.633 -2.514 13.877 1.00 0.00 H ATOM 328 N GLN A 39 -25.372 0.198 13.334 1.00 6.56 N ATOM 329 CA GLN A 39 -26.082 0.961 14.364 1.00 7.84 C ATOM 330 C GLN A 39 -27.498 1.075 13.986 1.00 9.54 C ATOM 331 O GLN A 39 -27.861 1.703 12.994 1.00 9.77 O ATOM 332 CB GLN A 39 -25.398 2.260 14.638 1.00 9.68 C ATOM 333 CG GLN A 39 -25.909 2.948 15.888 1.00 10.48 C ATOM 334 CD GLN A 39 -25.129 4.163 16.262 1.00 9.90 C ATOM 335 OE1 GLN A 39 -23.947 4.310 15.979 1.00 10.47 O ATOM 336 NE2 GLN A 39 -25.792 5.067 16.987 1.00 18.11 N ATOM 337 HE22 GLN A 39 -26.796 4.917 17.213 1.00 0.00 H ATOM 338 HE21 GLN A 39 -25.304 5.921 17.326 1.00 0.00 H ATOM 339 H GLN A 39 -25.499 0.447 12.332 1.00 0.00 H ATOM 340 N ALA A 40 -28.311 0.359 14.775 1.00 12.20 N ATOM 341 CA ALA A 40 -29.705 0.262 14.604 1.00 15.35 C ATOM 342 C ALA A 40 -30.360 1.357 15.460 1.00 17.24 C ATOM 343 O ALA A 40 -29.882 1.730 16.531 1.00 12.37 O ATOM 344 CB ALA A 40 -30.214 -1.121 15.040 1.00 17.24 C ATOM 345 H ALA A 40 -27.883 -0.160 15.568 1.00 0.00 H ATOM 346 N PRO A 41 -31.554 1.735 15.092 1.00 23.93 N ATOM 347 CA PRO A 41 -32.306 2.702 15.840 1.00 22.12 C ATOM 348 C PRO A 41 -32.538 2.320 17.275 1.00 16.72 C ATOM 349 O PRO A 41 -32.989 1.247 17.510 1.00 20.86 O ATOM 350 CB PRO A 41 -33.654 2.699 15.136 1.00 30.10 C ATOM 351 CG PRO A 41 -33.365 2.214 13.724 1.00 28.95 C ATOM 352 CD PRO A 41 -32.255 1.291 13.852 1.00 26.18 C ATOM 353 N GLY A 42 -32.108 3.155 18.226 1.00 12.99 N ATOM 354 CA GLY A 42 -32.292 2.843 19.668 1.00 10.99 C ATOM 355 C GLY A 42 -31.254 1.917 20.294 1.00 9.90 C ATOM 356 O GLY A 42 -31.363 1.571 21.495 1.00 12.79 O ATOM 357 H GLY A 42 -31.636 4.040 17.952 1.00 0.00 H ATOM 358 N LYS A 43 -30.250 1.486 19.499 1.00 8.93 N ATOM 359 CA LYS A 43 -29.290 0.444 19.905 1.00 8.38 C ATOM 360 C LYS A 43 -27.870 1.059 19.915 1.00 8.28 C ATOM 361 O LYS A 43 -27.584 2.027 19.189 1.00 9.54 O ATOM 362 CB LYS A 43 -29.316 -0.717 18.899 1.00 12.35 C ATOM 363 CG LYS A 43 -30.700 -1.381 18.757 1.00 17.37 C ATOM 364 CD LYS A 43 -31.262 -1.795 20.102 1.00 18.18 C ATOM 365 H LYS A 43 -30.150 1.910 18.555 1.00 0.00 H ATOM 366 N GLU A 44 -26.963 0.426 20.649 1.00 8.25 N ATOM 367 CA GLU A 44 -25.569 0.735 20.611 1.00 8.18 C ATOM 368 C GLU A 44 -24.977 0.246 19.291 1.00 7.39 C ATOM 369 O GLU A 44 -25.332 -0.822 18.819 1.00 8.21 O ATOM 370 CB GLU A 44 -24.884 0.019 21.811 1.00 9.40 C ATOM 371 CG GLU A 44 -23.423 0.339 22.019 1.00 9.87 C ATOM 372 CD GLU A 44 -22.798 -0.308 23.234 1.00 10.77 C ATOM 373 OE1 GLU A 44 -21.602 -0.056 23.480 1.00 12.23 O ATOM 374 OE2 GLU A 44 -23.453 -1.104 23.874 1.00 13.17 O ATOM 375 H GLU A 44 -27.283 -0.333 21.284 1.00 0.00 H ATOM 376 N ARG A 45 -23.997 0.971 18.775 1.00 6.42 N ATOM 377 CA ARG A 45 -23.256 0.464 17.605 1.00 6.66 C ATOM 378 C ARG A 45 -22.563 -0.836 17.989 1.00 6.39 C ATOM 379 O ARG A 45 -21.899 -0.916 19.022 1.00 7.14 O ATOM 380 CB ARG A 45 -22.244 1.497 17.146 1.00 6.57 C ATOM 381 CG ARG A 45 -21.605 1.106 15.805 1.00 7.04 C ATOM 382 CD ARG A 45 -20.770 2.208 15.201 1.00 8.05 C ATOM 383 NE ARG A 45 -21.618 3.320 14.805 1.00 8.20 N ATOM 384 CZ ARG A 45 -21.249 4.278 13.977 1.00 7.57 C ATOM 385 NH1 ARG A 45 -20.079 4.241 13.371 1.00 8.20 N ATOM 386 NH2 ARG A 45 -22.043 5.325 13.755 1.00 8.54 N ATOM 387 HE ARG A 45 -22.579 3.363 15.201 1.00 0.00 H ATOM 388 HH12 ARG A 45 -19.805 5.006 12.721 1.00 0.00 H ATOM 389 HH11 ARG A 45 -19.429 3.447 13.542 1.00 0.00 H ATOM 390 HH22 ARG A 45 -21.743 6.075 13.100 1.00 0.00 H ATOM 391 HH21 ARG A 45 -22.962 5.392 14.236 1.00 0.00 H ATOM 392 H ARG A 45 -23.751 1.892 19.192 1.00 0.00 H ATOM 393 N GLU A 46 -22.710 -1.846 17.118 1.00 7.18 N ATOM 394 CA GLU A 46 -22.487 -3.269 17.473 1.00 8.07 C ATOM 395 C GLU A 46 -21.643 -3.926 16.345 1.00 7.90 C ATOM 396 O GLU A 46 -21.977 -3.783 15.167 1.00 9.94 O ATOM 397 CB GLU A 46 -23.880 -3.986 17.660 1.00 11.73 C ATOM 398 CG GLU A 46 -23.915 -5.534 17.423 1.00 5.82 C ATOM 399 CD GLU A 46 -25.213 -6.204 17.893 1.00 15.73 C ATOM 400 OE1 GLU A 46 -25.414 -7.444 17.696 1.00 10.50 O ATOM 401 OE2 GLU A 46 -25.966 -5.515 18.570 1.00 22.33 O ATOM 402 H GLU A 46 -22.995 -1.620 16.144 1.00 0.00 H ATOM 403 N GLY A 47 -20.476 -4.515 16.699 1.00 6.55 N ATOM 404 CA GLY A 47 -19.729 -5.328 15.752 1.00 6.62 C ATOM 405 C GLY A 47 -20.485 -6.616 15.427 1.00 5.91 C ATOM 406 O GLY A 47 -20.887 -7.359 16.305 1.00 8.01 O ATOM 407 H GLY A 47 -20.108 -4.384 17.663 1.00 0.00 H ATOM 408 N VAL A 48 -20.706 -6.848 14.140 1.00 5.54 N ATOM 409 CA VAL A 48 -21.426 -8.059 13.728 1.00 6.02 C ATOM 410 C VAL A 48 -20.521 -9.123 13.160 1.00 5.08 C ATOM 411 O VAL A 48 -20.791 -10.305 13.340 1.00 5.45 O ATOM 412 CB VAL A 48 -22.623 -7.824 12.803 1.00 7.69 C ATOM 413 CG1 VAL A 48 -23.678 -7.028 13.508 1.00 9.99 C ATOM 414 CG2 VAL A 48 -22.207 -7.169 11.544 1.00 8.46 C ATOM 415 H VAL A 48 -20.370 -6.173 13.424 1.00 0.00 H ATOM 416 N SER A 49 -19.406 -8.746 12.474 1.00 5.25 N ATOM 417 CA SER A 49 -18.504 -9.743 11.949 1.00 5.04 C ATOM 418 C SER A 49 -17.126 -9.115 11.799 1.00 5.13 C ATOM 419 O SER A 49 -17.019 -7.924 11.526 1.00 5.92 O ATOM 420 CB SER A 49 -18.993 -10.247 10.572 1.00 5.54 C ATOM 421 OG SER A 49 -20.368 -10.628 10.544 1.00 4.97 O ATOM 422 HG SER A 49 -20.520 -11.360 11.193 1.00 0.00 H ATOM 423 H SER A 49 -19.204 -7.736 12.328 1.00 0.00 H ATOM 424 N CYS A 50 -16.079 -9.914 11.970 1.00 5.09 N ATOM 425 CA CYS A 50 -14.726 -9.413 11.837 1.00 4.93 C ATOM 426 C CYS A 50 -13.867 -10.456 11.205 1.00 5.11 C ATOM 427 O CYS A 50 -14.039 -11.665 11.469 1.00 5.88 O ATOM 428 CB CYS A 50 -14.203 -9.024 13.244 1.00 5.71 C ATOM 429 SG CYS A 50 -12.647 -8.079 13.234 1.00 6.23 S ATOM 430 H CYS A 50 -16.233 -10.916 12.203 1.00 0.00 H ATOM 431 N ILE A 51 -12.924 -10.019 10.348 1.00 4.96 N ATOM 432 CA ILE A 51 -11.993 -10.923 9.705 1.00 5.20 C ATOM 433 C ILE A 51 -10.576 -10.520 10.030 1.00 5.74 C ATOM 434 O ILE A 51 -10.209 -9.364 9.913 1.00 6.45 O ATOM 435 CB ILE A 51 -12.251 -10.996 8.172 1.00 6.09 C ATOM 436 CG1 ILE A 51 -11.423 -12.094 7.530 1.00 7.17 C ATOM 437 CG2 ILE A 51 -12.076 -9.644 7.465 1.00 6.61 C ATOM 438 CD1 ILE A 51 -11.948 -12.501 6.142 1.00 10.07 C ATOM 439 H ILE A 51 -12.863 -9.001 10.142 1.00 0.00 H ATOM 440 N ASN A 52 -9.799 -11.493 10.483 1.00 6.89 N ATOM 441 CA ASN A 52 -8.393 -11.329 10.684 1.00 8.66 C ATOM 442 C ASN A 52 -7.709 -11.945 9.461 1.00 9.91 C ATOM 443 O ASN A 52 -7.681 -13.171 9.293 1.00 12.61 O ATOM 444 CB ASN A 52 -7.966 -12.068 11.952 1.00 10.84 C ATOM 445 CG ASN A 52 -6.501 -11.993 12.232 1.00 14.60 C ATOM 446 OD1 ASN A 52 -5.671 -11.967 11.329 1.00 16.29 O ATOM 447 ND2 ASN A 52 -6.165 -12.099 13.515 1.00 19.63 N ATOM 448 HD22 ASN A 52 -6.904 -12.117 14.246 1.00 0.00 H ATOM 449 HD21 ASN A 52 -5.163 -12.164 13.787 1.00 0.00 H ATOM 450 H ASN A 52 -10.230 -12.414 10.701 1.00 0.00 H ATOM 451 N ASN A 53 -7.270 -11.092 8.557 1.00 13.15 N ATOM 452 CA ASN A 53 -6.822 -11.572 7.289 1.00 17.39 C ATOM 453 C ASN A 53 -5.463 -12.280 7.353 1.00 25.59 C ATOM 454 O ASN A 53 -5.251 -13.276 6.610 1.00 41.70 O ATOM 455 CB ASN A 53 -6.778 -10.455 6.262 1.00 17.90 C ATOM 456 CG ASN A 53 -8.158 -10.113 5.655 1.00 16.20 C ATOM 457 OD1 ASN A 53 -8.423 -8.954 5.430 1.00 19.26 O ATOM 458 ND2 ASN A 53 -8.924 -11.045 5.341 1.00 16.89 N ATOM 459 HD22 ASN A 53 -8.660 -12.029 5.552 1.00 0.00 H ATOM 460 HD21 ASN A 53 -9.827 -10.839 4.868 1.00 0.00 H ATOM 461 H ASN A 53 -7.250 -10.074 8.766 1.00 0.00 H ATOM 462 N SER A 54 -4.576 -11.872 8.255 1.00 20.99 N ATOM 463 CA SER A 54 -3.268 -12.532 8.386 1.00 22.55 C ATOM 464 C SER A 54 -3.365 -13.891 9.010 1.00 25.84 C ATOM 465 O SER A 54 -2.572 -14.794 8.663 1.00106.43 O ATOM 466 CB SER A 54 -2.237 -11.632 9.134 1.00 20.88 C ATOM 467 OG SER A 54 -2.518 -11.471 10.554 1.00 21.89 O ATOM 468 HG SER A 54 -2.508 -12.358 10.994 1.00 0.00 H ATOM 469 H SER A 54 -4.811 -11.073 8.878 1.00 0.00 H ATOM 470 N ASP A 55 -4.291 -14.097 9.888 1.00 21.73 N ATOM 471 CA ASP A 55 -4.379 -15.340 10.625 1.00 27.57 C ATOM 472 C ASP A 55 -5.502 -16.251 10.132 1.00 23.35 C ATOM 473 O ASP A 55 -5.615 -17.410 10.594 1.00 28.26 O ATOM 474 CB ASP A 55 -4.576 -15.073 12.117 1.00 27.12 C ATOM 475 CG ASP A 55 -3.464 -14.242 12.724 1.00 31.16 C ATOM 476 OD1 ASP A 55 -2.512 -13.906 12.013 1.00 32.72 O ATOM 477 OD2 ASP A 55 -3.653 -13.768 13.876 1.00 27.78 O ATOM 478 H ASP A 55 -4.991 -13.350 10.070 1.00 0.00 H ATOM 479 N ASP A 56 -6.348 -15.739 9.240 1.00 22.46 N ATOM 480 CA ASP A 56 -7.447 -16.478 8.744 1.00 20.63 C ATOM 481 C ASP A 56 -8.411 -16.912 9.828 1.00 19.98 C ATOM 482 O ASP A 56 -8.689 -18.087 9.996 1.00 24.19 O ATOM 483 CB ASP A 56 -6.917 -17.713 7.972 1.00 25.98 C ATOM 484 CG ASP A 56 -7.723 -18.018 6.826 1.00 35.63 C ATOM 485 OD1 ASP A 56 -8.808 -17.417 6.692 1.00 30.18 O ATOM 486 OD2 ASP A 56 -7.373 -18.909 6.106 1.00 61.58 O ATOM 487 H ASP A 56 -6.196 -14.768 8.899 1.00 0.00 H ATOM 488 N ASP A 57 -8.843 -15.940 10.620 1.00 11.85 N ATOM 489 CA ASP A 57 -9.877 -16.143 11.615 1.00 10.36 C ATOM 490 C ASP A 57 -11.077 -15.267 11.233 1.00 8.32 C ATOM 491 O ASP A 57 -10.872 -14.131 10.784 1.00 11.16 O ATOM 492 CB ASP A 57 -9.396 -15.733 13.068 1.00 13.51 C ATOM 493 CG ASP A 57 -8.234 -16.549 13.631 1.00 17.60 C ATOM 494 OD1 ASP A 57 -8.183 -17.709 13.495 1.00 27.00 O ATOM 495 OD2 ASP A 57 -7.389 -15.915 14.298 1.00 21.98 O ATOM 496 H ASP A 57 -8.423 -14.994 10.523 1.00 0.00 H ATOM 497 N THR A 58 -12.273 -15.710 11.557 1.00 7.61 N ATOM 498 CA THR A 58 -13.467 -14.928 11.432 1.00 7.12 C ATOM 499 C THR A 58 -14.279 -14.991 12.727 1.00 6.09 C ATOM 500 O THR A 58 -14.252 -15.988 13.446 1.00 7.76 O ATOM 501 CB THR A 58 -14.334 -15.372 10.263 1.00 7.65 C ATOM 502 OG1 THR A 58 -14.664 -16.759 10.426 1.00 8.33 O ATOM 503 CG2 THR A 58 -13.701 -15.105 8.901 1.00 8.42 C ATOM 504 HG1 THR A 58 -15.228 -17.054 9.668 1.00 0.00 H ATOM 505 H THR A 58 -12.356 -16.680 11.923 1.00 0.00 H ATOM 506 N TYR A 59 -14.981 -13.913 13.006 1.00 5.90 N ATOM 507 CA TYR A 59 -15.749 -13.739 14.249 1.00 6.02 C ATOM 508 C TYR A 59 -17.149 -13.247 13.881 1.00 6.12 C ATOM 509 O TYR A 59 -17.283 -12.381 12.998 1.00 6.46 O ATOM 510 CB TYR A 59 -15.095 -12.712 15.157 1.00 7.52 C ATOM 511 CG TYR A 59 -13.721 -13.064 15.612 1.00 8.46 C ATOM 512 CD1 TYR A 59 -12.635 -12.902 14.786 1.00 9.80 C ATOM 513 CD2 TYR A 59 -13.491 -13.436 16.927 1.00 11.84 C ATOM 514 CE1 TYR A 59 -11.329 -13.186 15.221 1.00 13.83 C ATOM 515 CE2 TYR A 59 -12.214 -13.740 17.376 1.00 15.71 C ATOM 516 CZ TYR A 59 -11.139 -13.597 16.512 1.00 17.25 C ATOM 517 OH TYR A 59 -9.862 -13.840 16.946 1.00 26.74 O ATOM 518 HH TYR A 59 -9.227 -13.689 16.201 1.00 0.00 H ATOM 519 H TYR A 59 -14.994 -13.141 12.309 1.00 0.00 H ATOM 520 N TYR A 60 -18.159 -13.709 14.617 1.00 6.01 N ATOM 521 CA TYR A 60 -19.531 -13.311 14.395 1.00 6.03 C ATOM 522 C TYR A 60 -20.240 -13.022 15.711 1.00 6.37 C ATOM 523 O TYR A 60 -20.092 -13.778 16.689 1.00 7.54 O ATOM 524 CB TYR A 60 -20.300 -14.449 13.688 1.00 6.48 C ATOM 525 CG TYR A 60 -19.704 -14.753 12.329 1.00 6.42 C ATOM 526 CD1 TYR A 60 -20.021 -13.926 11.263 1.00 5.94 C ATOM 527 CD2 TYR A 60 -18.778 -15.747 12.139 1.00 6.52 C ATOM 528 CE1 TYR A 60 -19.391 -14.084 10.026 1.00 6.00 C ATOM 529 CE2 TYR A 60 -18.186 -15.932 10.917 1.00 6.92 C ATOM 530 CZ TYR A 60 -18.501 -15.102 9.843 1.00 6.02 C ATOM 531 OH TYR A 60 -17.921 -15.269 8.607 1.00 6.38 O ATOM 532 HH TYR A 60 -18.134 -16.172 8.263 1.00 0.00 H ATOM 533 H TYR A 60 -17.952 -14.383 15.382 1.00 0.00 H ATOM 534 N ALA A 61 -21.088 -12.017 15.721 1.00 6.09 N ATOM 535 CA ALA A 61 -22.025 -11.855 16.816 1.00 6.55 C ATOM 536 C ALA A 61 -23.012 -12.996 16.811 1.00 6.75 C ATOM 537 O ALA A 61 -23.431 -13.472 15.750 1.00 6.77 O ATOM 538 CB ALA A 61 -22.762 -10.529 16.677 1.00 7.91 C ATOM 539 H ALA A 61 -21.087 -11.333 14.938 1.00 0.00 H ATOM 540 N ASP A 62 -23.466 -13.400 17.997 1.00 7.19 N ATOM 541 CA ASP A 62 -24.454 -14.433 18.086 1.00 8.29 C ATOM 542 C ASP A 62 -25.717 -14.146 17.305 1.00 8.76 C ATOM 543 O ASP A 62 -26.339 -15.064 16.755 1.00 11.31 O ATOM 544 CB ASP A 62 -24.825 -14.746 19.547 1.00 11.24 C ATOM 545 CG ASP A 62 -23.773 -15.518 20.298 1.00 15.76 C ATOM 546 OD1 ASP A 62 -22.779 -15.993 19.717 1.00 21.45 O ATOM 547 OD2 ASP A 62 -24.069 -15.789 21.473 1.00 22.12 O ATOM 548 H ASP A 62 -23.100 -12.961 18.866 1.00 0.00 H ATOM 549 N SER A 63 -26.084 -12.892 17.211 1.00 8.59 N ATOM 550 CA SER A 63 -27.316 -12.525 16.514 1.00 10.64 C ATOM 551 C SER A 63 -27.255 -12.723 15.017 1.00 11.00 C ATOM 552 O SER A 63 -28.300 -12.608 14.357 1.00 16.63 O ATOM 553 CB SER A 63 -27.672 -11.122 16.834 1.00 16.65 C ATOM 554 OG SER A 63 -26.625 -10.261 16.358 1.00 17.52 O ATOM 555 HG SER A 63 -26.852 -9.320 16.567 1.00 0.00 H ATOM 556 H SER A 63 -25.493 -12.150 17.637 1.00 0.00 H ATOM 557 N VAL A 64 -26.058 -12.901 14.456 1.00 7.64 N ATOM 558 CA VAL A 64 -25.894 -13.066 13.009 1.00 7.28 C ATOM 559 C VAL A 64 -25.243 -14.354 12.599 1.00 7.48 C ATOM 560 O VAL A 64 -25.136 -14.653 11.416 1.00 8.09 O ATOM 561 CB VAL A 64 -25.190 -11.852 12.354 1.00 6.45 C ATOM 562 CG1 VAL A 64 -25.862 -10.562 12.768 1.00 7.68 C ATOM 563 CG2 VAL A 64 -23.701 -11.849 12.678 1.00 6.54 C ATOM 564 H VAL A 64 -25.215 -12.923 15.064 1.00 0.00 H ATOM 565 N LYS A 65 -24.719 -15.134 13.547 1.00 9.36 N ATOM 566 CA LYS A 65 -23.968 -16.362 13.199 1.00 11.85 C ATOM 567 C LYS A 65 -24.806 -17.269 12.349 1.00 10.96 C ATOM 568 O LYS A 65 -25.980 -17.428 12.612 1.00 13.77 O ATOM 569 CB LYS A 65 -23.514 -17.120 14.443 1.00 16.39 C ATOM 570 CG LYS A 65 -22.333 -18.093 14.117 1.00 18.66 C ATOM 571 CD LYS A 65 -21.721 -18.795 15.330 1.00 16.97 C ATOM 572 CE LYS A 65 -20.475 -19.619 14.930 1.00 19.66 C ATOM 573 NZ LYS A 65 -20.027 -20.483 16.068 1.00 21.23 N ATOM 574 HZ1 LYS A 65 -19.788 -19.884 16.883 1.00 0.00 H ATOM 575 HZ2 LYS A 65 -20.794 -21.135 16.329 1.00 0.00 H ATOM 576 HZ3 LYS A 65 -19.190 -21.028 15.779 1.00 0.00 H ATOM 577 H LYS A 65 -24.840 -14.875 14.547 1.00 0.00 H ATOM 578 N GLY A 66 -24.244 -17.861 11.303 1.00 11.06 N ATOM 579 CA GLY A 66 -24.993 -18.820 10.452 1.00 15.24 C ATOM 580 C GLY A 66 -25.948 -18.162 9.438 1.00 9.70 C ATOM 581 O GLY A 66 -26.485 -18.812 8.578 1.00 10.44 O ATOM 582 H GLY A 66 -23.252 -17.648 11.073 1.00 0.00 H ATOM 583 N ARG A 67 -26.082 -16.863 9.519 1.00 7.37 N ATOM 584 CA ARG A 67 -26.730 -16.080 8.485 1.00 7.71 C ATOM 585 C ARG A 67 -25.744 -15.194 7.740 1.00 6.45 C ATOM 586 O ARG A 67 -25.900 -14.960 6.541 1.00 6.71 O ATOM 587 CB ARG A 67 -27.833 -15.157 9.120 1.00 8.14 C ATOM 588 CG ARG A 67 -28.956 -15.920 9.780 1.00 9.50 C ATOM 589 CD ARG A 67 -30.061 -14.999 10.218 1.00 9.53 C ATOM 590 NE ARG A 67 -29.573 -13.929 11.118 1.00 7.34 N ATOM 591 CZ ARG A 67 -29.847 -12.632 10.971 1.00 7.02 C ATOM 592 NH1 ARG A 67 -30.451 -12.197 9.902 1.00 8.01 N ATOM 593 NH2 ARG A 67 -29.484 -11.773 11.899 1.00 6.94 N ATOM 594 HE ARG A 67 -28.974 -14.209 11.921 1.00 0.00 H ATOM 595 HH12 ARG A 67 -30.659 -11.183 9.799 1.00 0.00 H ATOM 596 HH11 ARG A 67 -30.725 -12.863 9.152 1.00 0.00 H ATOM 597 HH22 ARG A 67 -29.698 -10.762 11.784 1.00 0.00 H ATOM 598 HH21 ARG A 67 -28.983 -12.105 12.748 1.00 0.00 H ATOM 599 H ARG A 67 -25.709 -16.373 10.357 1.00 0.00 H ATOM 600 N PHE A 68 -24.778 -14.628 8.476 1.00 6.48 N ATOM 601 CA PHE A 68 -23.797 -13.695 7.905 1.00 5.95 C ATOM 602 C PHE A 68 -22.482 -14.404 7.739 1.00 5.99 C ATOM 603 O PHE A 68 -22.079 -15.198 8.600 1.00 7.14 O ATOM 604 CB PHE A 68 -23.582 -12.493 8.796 1.00 7.27 C ATOM 605 CG PHE A 68 -24.723 -11.459 8.841 1.00 7.13 C ATOM 606 CD1 PHE A 68 -26.038 -11.740 8.521 1.00 7.38 C ATOM 607 CD2 PHE A 68 -24.426 -10.181 9.298 1.00 7.90 C ATOM 608 CE1 PHE A 68 -27.021 -10.798 8.704 1.00 8.15 C ATOM 609 CE2 PHE A 68 -25.396 -9.230 9.473 1.00 9.23 C ATOM 610 CZ PHE A 68 -26.694 -9.520 9.173 1.00 10.21 C ATOM 611 H PHE A 68 -24.720 -14.858 9.489 1.00 0.00 H ATOM 612 N THR A 69 -21.752 -14.039 6.675 1.00 5.37 N ATOM 613 CA THR A 69 -20.375 -14.476 6.468 1.00 5.64 C ATOM 614 C THR A 69 -19.566 -13.286 6.023 1.00 5.11 C ATOM 615 O THR A 69 -20.030 -12.457 5.243 1.00 6.33 O ATOM 616 CB THR A 69 -20.270 -15.589 5.407 1.00 8.56 C ATOM 617 OG1 THR A 69 -21.153 -16.642 5.731 1.00 10.82 O ATOM 618 CG2 THR A 69 -18.875 -16.141 5.351 1.00 7.94 C ATOM 619 HG1 THR A 69 -22.081 -16.298 5.755 1.00 0.00 H ATOM 620 H THR A 69 -22.187 -13.416 5.965 1.00 0.00 H ATOM 621 N ILE A 70 -18.325 -13.197 6.515 1.00 5.25 N ATOM 622 CA ILE A 70 -17.387 -12.143 6.146 1.00 5.21 C ATOM 623 C ILE A 70 -16.226 -12.804 5.419 1.00 5.36 C ATOM 624 O ILE A 70 -15.714 -13.834 5.864 1.00 6.32 O ATOM 625 CB ILE A 70 -16.959 -11.335 7.395 1.00 5.56 C ATOM 626 CG1 ILE A 70 -16.152 -10.096 6.988 1.00 5.55 C ATOM 627 CG2 ILE A 70 -16.228 -12.189 8.452 1.00 6.09 C ATOM 628 CD1 ILE A 70 -15.884 -9.144 8.151 1.00 5.73 C ATOM 629 H ILE A 70 -18.013 -13.918 7.197 1.00 0.00 H ATOM 630 N PHE A 71 -15.806 -12.237 4.280 1.00 5.15 N ATOM 631 CA PHE A 71 -14.796 -12.896 3.452 1.00 5.79 C ATOM 632 C PHE A 71 -14.239 -11.937 2.435 1.00 5.83 C ATOM 633 O PHE A 71 -14.819 -10.901 2.125 1.00 6.14 O ATOM 634 CB PHE A 71 -15.373 -14.131 2.726 1.00 5.77 C ATOM 635 CG PHE A 71 -16.572 -13.844 1.882 1.00 5.83 C ATOM 636 CD1 PHE A 71 -17.828 -13.971 2.414 1.00 8.76 C ATOM 637 CD2 PHE A 71 -16.454 -13.508 0.552 1.00 6.00 C ATOM 638 CE1 PHE A 71 -18.938 -13.678 1.658 1.00 11.41 C ATOM 639 CE2 PHE A 71 -17.574 -13.228 -0.238 1.00 7.26 C ATOM 640 CZ PHE A 71 -18.828 -13.312 0.341 1.00 9.51 C ATOM 641 H PHE A 71 -16.201 -11.322 3.982 1.00 0.00 H ATOM 642 N MET A 72 -13.077 -12.327 1.898 1.00 6.73 N ATOM 643 CA MET A 72 -12.529 -11.723 0.673 1.00 7.02 C ATOM 644 C MET A 72 -12.661 -12.719 -0.473 1.00 7.56 C ATOM 645 O MET A 72 -12.851 -13.903 -0.268 1.00 8.44 O ATOM 646 CB MET A 72 -11.085 -11.295 0.848 1.00 8.30 C ATOM 647 CG MET A 72 -10.933 -10.214 1.986 1.00 10.24 C ATOM 648 SD MET A 72 -9.685 -9.013 1.748 1.00 21.21 S ATOM 649 CE MET A 72 -8.503 -10.119 1.834 1.00 17.04 C ATOM 650 H MET A 72 -12.541 -13.086 2.364 1.00 0.00 H ATOM 651 N ASN A 73 -12.550 -12.214 -1.683 1.00 9.43 N ATOM 652 CA ASN A 73 -12.387 -13.087 -2.861 1.00 10.43 C ATOM 653 C ASN A 73 -10.930 -12.977 -3.349 1.00 10.59 C ATOM 654 O ASN A 73 -10.104 -12.425 -2.657 1.00 10.37 O ATOM 655 CB ASN A 73 -13.476 -12.767 -3.961 1.00 12.24 C ATOM 656 CG ASN A 73 -13.278 -11.441 -4.642 1.00 13.06 C ATOM 657 OD1 ASN A 73 -12.248 -10.796 -4.455 1.00 13.16 O ATOM 658 ND2 ASN A 73 -14.261 -11.016 -5.389 1.00 13.86 N ATOM 659 HD22 ASN A 73 -15.111 -11.603 -5.514 1.00 0.00 H ATOM 660 HD21 ASN A 73 -14.194 -10.091 -5.859 1.00 0.00 H ATOM 661 H ASN A 73 -12.578 -11.182 -1.811 1.00 0.00 H ATOM 662 N ASN A 74 -10.612 -13.572 -4.475 1.00 12.19 N ATOM 663 CA ASN A 74 -9.227 -13.636 -4.896 1.00 14.92 C ATOM 664 C ASN A 74 -8.597 -12.286 -5.236 1.00 14.13 C ATOM 665 O ASN A 74 -7.366 -12.170 -5.250 1.00 17.71 O ATOM 666 CB ASN A 74 -9.045 -14.648 -6.052 1.00 18.10 C ATOM 667 CG ASN A 74 -9.178 -16.065 -5.579 1.00 20.34 C ATOM 668 OD1 ASN A 74 -9.144 -16.318 -4.394 1.00 24.03 O ATOM 669 ND2 ASN A 74 -9.505 -16.949 -6.466 1.00 21.67 N ATOM 670 HD22 ASN A 74 -9.522 -16.693 -7.474 1.00 0.00 H ATOM 671 HD21 ASN A 74 -9.750 -17.916 -6.171 1.00 0.00 H ATOM 672 H ASN A 74 -11.355 -13.998 -5.065 1.00 0.00 H ATOM 673 N ALA A 75 -9.424 -11.284 -5.493 1.00 11.81 N ATOM 674 CA ALA A 75 -8.910 -9.930 -5.742 1.00 10.94 C ATOM 675 C ALA A 75 -8.330 -9.292 -4.501 1.00 10.46 C ATOM 676 O ALA A 75 -7.512 -8.401 -4.614 1.00 11.84 O ATOM 677 CB ALA A 75 -9.983 -9.043 -6.328 1.00 12.08 C ATOM 678 H ALA A 75 -10.449 -11.457 -5.519 1.00 0.00 H ATOM 679 N LYS A 76 -8.826 -9.660 -3.321 1.00 8.68 N ATOM 680 CA LYS A 76 -8.301 -9.183 -2.040 1.00 9.31 C ATOM 681 C LYS A 76 -8.460 -7.646 -1.898 1.00 8.58 C ATOM 682 O LYS A 76 -7.738 -7.051 -1.131 1.00 9.65 O ATOM 683 CB LYS A 76 -6.878 -9.641 -1.770 1.00 11.74 C ATOM 684 CG LYS A 76 -6.741 -11.155 -1.756 1.00 16.38 C ATOM 685 CD LYS A 76 -5.281 -11.604 -1.565 1.00 23.43 C ATOM 686 CE LYS A 76 -5.166 -13.110 -1.500 1.00 26.07 C ATOM 687 H LYS A 76 -9.629 -10.321 -3.309 1.00 0.00 H ATOM 688 N ASP A 77 -9.431 -7.058 -2.605 1.00 8.17 N ATOM 689 CA ASP A 77 -9.634 -5.617 -2.613 1.00 7.99 C ATOM 690 C ASP A 77 -10.932 -5.204 -1.881 1.00 6.80 C ATOM 691 O ASP A 77 -11.248 -4.010 -1.824 1.00 7.29 O ATOM 692 CB ASP A 77 -9.645 -5.053 -4.042 1.00 9.45 C ATOM 693 CG ASP A 77 -10.686 -5.640 -4.911 1.00 9.24 C ATOM 694 OD1 ASP A 77 -11.578 -6.336 -4.413 1.00 8.86 O ATOM 695 OD2 ASP A 77 -10.588 -5.399 -6.173 1.00 11.52 O ATOM 696 H ASP A 77 -10.067 -7.655 -3.172 1.00 0.00 H ATOM 697 N THR A 78 -11.635 -6.191 -1.326 1.00 5.96 N ATOM 698 CA THR A 78 -12.967 -5.972 -0.784 1.00 6.02 C ATOM 699 C THR A 78 -13.185 -6.960 0.359 1.00 5.79 C ATOM 700 O THR A 78 -12.979 -8.148 0.189 1.00 6.74 O ATOM 701 CB THR A 78 -14.035 -6.219 -1.844 1.00 6.52 C ATOM 702 OG1 THR A 78 -13.796 -5.402 -2.998 1.00 6.93 O ATOM 703 CG2 THR A 78 -15.421 -5.890 -1.313 1.00 6.76 C ATOM 704 HG1 THR A 78 -12.908 -5.621 -3.378 1.00 0.00 H ATOM 705 H THR A 78 -11.220 -7.143 -1.279 1.00 0.00 H ATOM 706 N VAL A 79 -13.698 -6.439 1.491 1.00 5.35 N ATOM 707 CA VAL A 79 -14.212 -7.321 2.542 1.00 5.35 C ATOM 708 C VAL A 79 -15.741 -7.323 2.401 1.00 5.13 C ATOM 709 O VAL A 79 -16.396 -6.305 2.634 1.00 5.55 O ATOM 710 CB VAL A 79 -13.743 -6.917 3.947 1.00 5.69 C ATOM 711 CG1 VAL A 79 -14.448 -7.766 4.999 1.00 6.45 C ATOM 712 CG2 VAL A 79 -12.230 -7.104 4.040 1.00 7.31 C ATOM 713 H VAL A 79 -13.729 -5.407 1.619 1.00 0.00 H ATOM 714 N TYR A 80 -16.250 -8.476 1.968 1.00 5.16 N ATOM 715 CA TYR A 80 -17.663 -8.668 1.783 1.00 5.10 C ATOM 716 C TYR A 80 -18.340 -9.099 3.059 1.00 4.91 C ATOM 717 O TYR A 80 -17.765 -9.799 3.879 1.00 5.51 O ATOM 718 CB TYR A 80 -17.924 -9.758 0.718 1.00 5.61 C ATOM 719 CG TYR A 80 -17.388 -9.383 -0.655 1.00 6.18 C ATOM 720 CD1 TYR A 80 -18.128 -8.526 -1.469 1.00 6.68 C ATOM 721 CD2 TYR A 80 -16.191 -9.859 -1.116 1.00 6.38 C ATOM 722 CE1 TYR A 80 -17.680 -8.181 -2.711 1.00 7.78 C ATOM 723 CE2 TYR A 80 -15.713 -9.474 -2.368 1.00 7.58 C ATOM 724 CZ TYR A 80 -16.465 -8.643 -3.147 1.00 7.88 C ATOM 725 OH TYR A 80 -15.970 -8.202 -4.390 1.00 10.74 O ATOM 726 HH TYR A 80 -15.127 -7.701 -4.250 1.00 0.00 H ATOM 727 H TYR A 80 -15.604 -9.263 1.757 1.00 0.00 H ATOM 728 N LEU A 81 -19.604 -8.686 3.194 1.00 4.92 N ATOM 729 CA LEU A 81 -20.500 -9.225 4.223 1.00 4.90 C ATOM 730 C LEU A 81 -21.717 -9.793 3.521 1.00 4.63 C ATOM 731 O LEU A 81 -22.552 -9.042 3.007 1.00 5.11 O ATOM 732 CB LEU A 81 -20.933 -8.150 5.224 1.00 5.31 C ATOM 733 CG LEU A 81 -21.640 -8.653 6.488 1.00 5.44 C ATOM 734 CD1 LEU A 81 -20.684 -9.473 7.365 1.00 6.66 C ATOM 735 CD2 LEU A 81 -22.256 -7.535 7.250 1.00 6.51 C ATOM 736 H LEU A 81 -19.965 -7.957 2.547 1.00 0.00 H ATOM 737 N GLN A 82 -21.807 -11.108 3.470 1.00 4.76 N ATOM 738 CA GLN A 82 -23.000 -11.770 2.952 1.00 4.65 C ATOM 739 C GLN A 82 -24.012 -11.838 4.089 1.00 4.73 C ATOM 740 O GLN A 82 -23.718 -12.393 5.121 1.00 6.79 O ATOM 741 CB GLN A 82 -22.669 -13.168 2.450 1.00 5.10 C ATOM 742 CG GLN A 82 -23.881 -13.894 1.900 1.00 5.80 C ATOM 743 CD GLN A 82 -24.492 -13.235 0.702 1.00 5.61 C ATOM 744 OE1 GLN A 82 -23.764 -12.583 -0.082 1.00 6.72 O ATOM 745 NE2 GLN A 82 -25.784 -13.348 0.554 1.00 7.00 N ATOM 746 HE22 GLN A 82 -26.339 -13.903 1.237 1.00 0.00 H ATOM 747 HE21 GLN A 82 -26.258 -12.883 -0.246 1.00 0.00 H ATOM 748 H GLN A 82 -21.010 -11.686 3.806 1.00 0.00 H ATOM 749 N MET A 83 -25.206 -11.273 3.882 1.00 5.11 N ATOM 750 CA MET A 83 -26.238 -11.242 4.891 1.00 5.26 C ATOM 751 C MET A 83 -27.459 -11.988 4.405 1.00 5.10 C ATOM 752 O MET A 83 -28.228 -11.492 3.568 1.00 6.69 O ATOM 753 CB MET A 83 -26.619 -9.828 5.233 1.00 5.11 C ATOM 754 CG MET A 83 -25.455 -9.009 5.790 1.00 4.97 C ATOM 755 SD MET A 83 -25.986 -7.377 6.420 1.00 6.14 S ATOM 756 CE MET A 83 -26.739 -6.699 4.959 1.00 6.78 C ATOM 757 H MET A 83 -25.399 -10.838 2.957 1.00 0.00 H ATOM 758 N ASN A 84 -27.636 -13.202 4.910 1.00 4.84 N ATOM 759 CA ASN A 84 -28.764 -14.057 4.544 1.00 4.90 C ATOM 760 C ASN A 84 -29.874 -13.968 5.586 1.00 5.17 C ATOM 761 O ASN A 84 -29.680 -13.575 6.747 1.00 5.80 O ATOM 762 CB ASN A 84 -28.307 -15.496 4.359 1.00 5.14 C ATOM 763 CG ASN A 84 -27.438 -15.640 3.124 1.00 5.27 C ATOM 764 OD1 ASN A 84 -27.704 -15.012 2.097 1.00 5.59 O ATOM 765 ND2 ASN A 84 -26.441 -16.514 3.193 1.00 6.08 N ATOM 766 HD22 ASN A 84 -26.254 -17.021 4.082 1.00 0.00 H ATOM 767 HD21 ASN A 84 -25.847 -16.692 2.358 1.00 0.00 H ATOM 768 H ASN A 84 -26.942 -13.561 5.596 1.00 0.00 H ATOM 769 N SER A 85 -31.085 -14.349 5.138 1.00 5.13 N ATOM 770 CA SER A 85 -32.262 -14.415 5.992 1.00 6.08 C ATOM 771 C SER A 85 -32.439 -13.173 6.824 1.00 5.76 C ATOM 772 O SER A 85 -32.545 -13.189 8.075 1.00 6.15 O ATOM 773 CB SER A 85 -32.290 -15.667 6.827 1.00 8.18 C ATOM 774 OG SER A 85 -33.611 -15.842 7.407 1.00 12.58 O ATOM 775 HG SER A 85 -34.281 -15.916 6.682 1.00 0.00 H ATOM 776 H SER A 85 -31.184 -14.608 4.136 1.00 0.00 H ATOM 777 N LEU A 86 -32.479 -12.033 6.143 1.00 5.76 N ATOM 778 CA LEU A 86 -32.611 -10.746 6.816 1.00 5.91 C ATOM 779 C LEU A 86 -33.968 -10.605 7.494 1.00 6.17 C ATOM 780 O LEU A 86 -34.989 -11.009 6.948 1.00 7.84 O ATOM 781 CB LEU A 86 -32.341 -9.613 5.839 1.00 6.29 C ATOM 782 CG LEU A 86 -30.841 -9.431 5.510 1.00 7.41 C ATOM 783 CD1 LEU A 86 -30.662 -8.547 4.302 1.00 7.93 C ATOM 784 CD2 LEU A 86 -30.102 -8.813 6.709 1.00 8.02 C ATOM 785 H LEU A 86 -32.415 -12.059 5.105 1.00 0.00 H ATOM 786 N LYS A 87 -33.946 -9.973 8.663 1.00 6.72 N ATOM 787 CA LYS A 87 -35.107 -9.798 9.581 1.00 7.60 C ATOM 788 C LYS A 87 -35.242 -8.312 9.850 1.00 7.66 C ATOM 789 O LYS A 87 -34.258 -7.557 9.770 1.00 7.11 O ATOM 790 CB LYS A 87 -34.862 -10.485 10.964 1.00 8.99 C ATOM 791 CG LYS A 87 -34.520 -11.979 10.936 1.00 8.16 C ATOM 792 CD LYS A 87 -35.449 -12.786 10.027 1.00 9.72 C ATOM 793 CE LYS A 87 -35.232 -14.296 10.173 1.00 8.65 C ATOM 794 NZ LYS A 87 -33.784 -14.676 10.317 1.00 9.88 N ATOM 795 HZ1 LYS A 87 -33.259 -14.363 9.475 1.00 0.00 H ATOM 796 HZ2 LYS A 87 -33.389 -14.218 11.163 1.00 0.00 H ATOM 797 HZ3 LYS A 87 -33.706 -15.709 10.411 1.00 0.00 H ATOM 798 H LYS A 87 -33.038 -9.564 8.964 1.00 0.00 H ATOM 799 N PRO A 88 -36.434 -7.863 10.287 1.00 8.85 N ATOM 800 CA PRO A 88 -36.571 -6.437 10.628 1.00 9.34 C ATOM 801 C PRO A 88 -35.533 -5.928 11.622 1.00 8.62 C ATOM 802 O PRO A 88 -35.095 -4.794 11.519 1.00 10.01 O ATOM 803 CB PRO A 88 -38.005 -6.351 11.189 1.00 11.36 C ATOM 804 CG PRO A 88 -38.698 -7.388 10.391 1.00 14.52 C ATOM 805 CD PRO A 88 -37.740 -8.525 10.261 1.00 11.93 C ATOM 806 N GLU A 89 -35.132 -6.775 12.583 1.00 9.79 N ATOM 807 CA GLU A 89 -34.113 -6.410 13.592 1.00 12.47 C ATOM 808 C GLU A 89 -32.730 -6.132 12.995 1.00 9.83 C ATOM 809 O GLU A 89 -31.906 -5.556 13.664 1.00 13.24 O ATOM 810 CB GLU A 89 -34.013 -7.522 14.715 1.00 21.25 C ATOM 811 CG GLU A 89 -33.330 -8.827 14.273 1.00 27.85 C ATOM 812 CD GLU A 89 -33.805 -10.100 15.046 1.00 40.19 C ATOM 813 OE1 GLU A 89 -33.431 -10.283 16.268 1.00 22.61 O ATOM 814 OE2 GLU A 89 -34.334 -11.024 14.382 1.00 16.32 O ATOM 815 H GLU A 89 -35.554 -7.725 12.620 1.00 0.00 H ATOM 816 N ASP A 90 -32.508 -6.531 11.714 1.00 7.48 N ATOM 817 CA ASP A 90 -31.272 -6.238 11.015 1.00 7.17 C ATOM 818 C ASP A 90 -31.255 -4.859 10.375 1.00 6.95 C ATOM 819 O ASP A 90 -30.219 -4.451 9.850 1.00 7.35 O ATOM 820 CB ASP A 90 -31.001 -7.299 9.981 1.00 6.63 C ATOM 821 CG ASP A 90 -30.815 -8.691 10.575 1.00 7.15 C ATOM 822 OD1 ASP A 90 -30.003 -8.858 11.487 1.00 8.00 O ATOM 823 OD2 ASP A 90 -31.491 -9.614 10.054 1.00 9.01 O ATOM 824 H ASP A 90 -33.250 -7.065 11.219 1.00 0.00 H ATOM 825 N THR A 91 -32.352 -4.115 10.442 1.00 6.97 N ATOM 826 CA THR A 91 -32.393 -2.748 9.903 1.00 6.83 C ATOM 827 C THR A 91 -31.409 -1.888 10.684 1.00 7.00 C ATOM 828 O THR A 91 -31.438 -1.833 11.943 1.00 8.60 O ATOM 829 CB THR A 91 -33.805 -2.179 10.074 1.00 6.66 C ATOM 830 OG1 THR A 91 -34.708 -2.921 9.218 1.00 7.83 O ATOM 831 CG2 THR A 91 -33.880 -0.720 9.742 1.00 8.31 C ATOM 832 HG1 THR A 91 -35.625 -2.563 9.319 1.00 0.00 H ATOM 833 H THR A 91 -33.205 -4.509 10.888 1.00 0.00 H ATOM 834 N ALA A 92 -30.533 -1.204 9.961 1.00 6.33 N ATOM 835 CA ALA A 92 -29.461 -0.400 10.601 1.00 6.32 C ATOM 836 C ALA A 92 -28.654 0.256 9.513 1.00 6.57 C ATOM 837 O ALA A 92 -28.728 -0.136 8.333 1.00 6.43 O ATOM 838 CB ALA A 92 -28.539 -1.290 11.404 1.00 6.79 C ATOM 839 H ALA A 92 -30.598 -1.231 8.923 1.00 0.00 H ATOM 840 N ILE A 93 -27.819 1.232 9.898 1.00 6.29 N ATOM 841 CA ILE A 93 -26.713 1.657 9.059 1.00 6.08 C ATOM 842 C ILE A 93 -25.540 0.745 9.353 1.00 5.93 C ATOM 843 O ILE A 93 -25.149 0.574 10.506 1.00 6.47 O ATOM 844 CB ILE A 93 -26.351 3.133 9.261 1.00 7.21 C ATOM 845 CG1 ILE A 93 -27.582 4.051 9.052 1.00 9.11 C ATOM 846 CG2 ILE A 93 -25.210 3.508 8.337 1.00 7.47 C ATOM 847 CD1 ILE A 93 -27.321 5.490 9.349 1.00 13.45 C ATOM 848 H ILE A 93 -27.967 1.695 10.818 1.00 0.00 H ATOM 849 N TYR A 94 -24.953 0.164 8.293 1.00 5.66 N ATOM 850 CA TYR A 94 -23.820 -0.733 8.416 1.00 5.24 C ATOM 851 C TYR A 94 -22.533 -0.006 8.047 1.00 5.58 C ATOM 852 O TYR A 94 -22.500 0.749 7.066 1.00 6.75 O ATOM 853 CB TYR A 94 -24.002 -1.957 7.520 1.00 5.53 C ATOM 854 CG TYR A 94 -25.020 -2.929 8.058 1.00 5.33 C ATOM 855 CD1 TYR A 94 -26.392 -2.636 8.075 1.00 5.83 C ATOM 856 CD2 TYR A 94 -24.645 -4.180 8.568 1.00 5.61 C ATOM 857 CE1 TYR A 94 -27.292 -3.495 8.661 1.00 6.25 C ATOM 858 CE2 TYR A 94 -25.563 -5.064 9.108 1.00 5.67 C ATOM 859 CZ TYR A 94 -26.894 -4.705 9.173 1.00 5.81 C ATOM 860 OH TYR A 94 -27.792 -5.590 9.731 1.00 6.47 O ATOM 861 HH TYR A 94 -28.700 -5.196 9.707 1.00 0.00 H ATOM 862 H TYR A 94 -25.327 0.366 7.344 1.00 0.00 H ATOM 863 N TYR A 95 -21.507 -0.198 8.873 1.00 5.29 N ATOM 864 CA TYR A 95 -20.225 0.514 8.752 1.00 5.66 C ATOM 865 C TYR A 95 -19.089 -0.495 8.765 1.00 5.51 C ATOM 866 O TYR A 95 -19.182 -1.520 9.451 1.00 6.20 O ATOM 867 CB TYR A 95 -20.003 1.421 9.958 1.00 6.63 C ATOM 868 CG TYR A 95 -21.017 2.532 10.122 1.00 6.93 C ATOM 869 CD1 TYR A 95 -20.845 3.748 9.528 1.00 7.36 C ATOM 870 CD2 TYR A 95 -22.136 2.357 10.945 1.00 7.26 C ATOM 871 CE1 TYR A 95 -21.745 4.793 9.706 1.00 8.34 C ATOM 872 CE2 TYR A 95 -23.030 3.391 11.145 1.00 8.60 C ATOM 873 CZ TYR A 95 -22.849 4.590 10.522 1.00 8.29 C ATOM 874 OH TYR A 95 -23.754 5.585 10.751 1.00 10.84 O ATOM 875 HH TYR A 95 -23.495 6.390 10.236 1.00 0.00 H ATOM 876 H TYR A 95 -21.617 -0.887 9.644 1.00 0.00 H ATOM 877 N CYS A 96 -17.992 -0.177 8.105 1.00 5.15 N ATOM 878 CA CYS A 96 -16.797 -0.980 8.254 1.00 5.54 C ATOM 879 C CYS A 96 -15.627 -0.147 8.710 1.00 5.46 C ATOM 880 O CYS A 96 -15.566 1.068 8.477 1.00 6.33 O ATOM 881 CB CYS A 96 -16.485 -1.824 7.010 1.00 6.02 C ATOM 882 SG CYS A 96 -15.958 -0.841 5.584 1.00 6.60 S ATOM 883 H CYS A 96 -17.986 0.652 7.477 1.00 0.00 H ATOM 884 N ALA A 97 -14.662 -0.782 9.360 1.00 5.53 N ATOM 885 CA ALA A 97 -13.483 -0.089 9.903 1.00 5.89 C ATOM 886 C ALA A 97 -12.405 -1.101 10.162 1.00 5.54 C ATOM 887 O ALA A 97 -12.690 -2.292 10.369 1.00 6.63 O ATOM 888 CB ALA A 97 -13.832 0.638 11.198 1.00 6.42 C ATOM 889 H ALA A 97 -14.741 -1.811 9.491 1.00 0.00 H ATOM 890 N GLU A 98 -11.172 -0.642 10.235 1.00 6.07 N ATOM 891 CA GLU A 98 -10.103 -1.492 10.714 1.00 6.27 C ATOM 892 C GLU A 98 -10.338 -1.826 12.188 1.00 6.70 C ATOM 893 O GLU A 98 -10.624 -0.970 13.000 1.00 8.66 O ATOM 894 CB GLU A 98 -8.752 -0.771 10.562 1.00 6.99 C ATOM 895 CG GLU A 98 -7.575 -1.665 10.857 1.00 8.72 C ATOM 896 CD GLU A 98 -6.226 -0.997 10.703 1.00 11.78 C ATOM 897 OE1 GLU A 98 -6.172 0.222 10.449 1.00 19.16 O ATOM 898 OE2 GLU A 98 -5.227 -1.707 10.803 1.00 13.97 O ATOM 899 H GLU A 98 -10.966 0.336 9.947 1.00 0.00 H ATOM 900 N ALA A 99 -10.208 -3.104 12.497 1.00 7.03 N ATOM 901 CA ALA A 99 -10.488 -3.650 13.854 1.00 7.53 C ATOM 902 C ALA A 99 -9.369 -4.597 14.209 1.00 7.99 C ATOM 903 O ALA A 99 -9.524 -5.803 14.206 1.00 7.70 O ATOM 904 CB ALA A 99 -11.855 -4.322 13.894 1.00 7.26 C ATOM 905 H ALA A 99 -9.894 -3.762 11.755 1.00 0.00 H ATOM 906 N ARG A 100 -8.179 -4.026 14.521 1.00 9.80 N ATOM 907 CA ARG A 100 -6.971 -4.814 14.736 1.00 11.39 C ATOM 908 C ARG A 100 -7.207 -5.907 15.752 1.00 9.64 C ATOM 909 O ARG A 100 -7.665 -5.630 16.866 1.00 10.14 O ATOM 910 CB ARG A 100 -5.852 -3.961 15.196 1.00 17.42 C ATOM 911 CG ARG A 100 -5.022 -3.516 14.146 1.00 20.52 C ATOM 912 CD ARG A 100 -3.924 -2.652 14.565 1.00 18.66 C ATOM 913 NE ARG A 100 -3.774 -1.772 13.448 1.00 13.15 N ATOM 914 CZ ARG A 100 -3.177 -0.609 13.459 1.00 17.24 C ATOM 915 NH1 ARG A 100 -2.423 -0.243 14.519 1.00 18.17 N ATOM 916 NH2 ARG A 100 -3.244 0.138 12.356 1.00 16.02 N ATOM 917 HE ARG A 100 -4.177 -2.086 12.542 1.00 0.00 H ATOM 918 HH12 ARG A 100 -1.949 0.683 14.525 1.00 0.00 H ATOM 919 HH11 ARG A 100 -2.317 -0.887 15.329 1.00 0.00 H ATOM 920 HH22 ARG A 100 -2.781 1.069 12.329 1.00 0.00 H ATOM 921 HH21 ARG A 100 -3.760 -0.210 11.523 1.00 0.00 H ATOM 922 H ARG A 100 -8.126 -2.991 14.610 1.00 0.00 H ATOM 923 N GLY A 101 -6.873 -7.135 15.379 1.00 10.65 N ATOM 924 CA GLY A 101 -7.040 -8.262 16.276 1.00 10.64 C ATOM 925 C GLY A 101 -8.433 -8.766 16.461 1.00 8.80 C ATOM 926 O GLY A 101 -8.647 -9.721 17.194 1.00 9.91 O ATOM 927 H GLY A 101 -6.485 -7.292 14.427 1.00 0.00 H ATOM 928 N CYS A 102 -9.435 -8.074 15.879 1.00 7.69 N ATOM 929 CA CYS A 102 -10.818 -8.432 16.126 1.00 7.11 C ATOM 930 C CYS A 102 -11.088 -8.583 17.624 1.00 6.96 C ATOM 931 O CYS A 102 -11.839 -9.446 18.067 1.00 7.40 O ATOM 932 CB CYS A 102 -11.230 -9.718 15.364 1.00 7.51 C ATOM 933 SG CYS A 102 -11.205 -9.507 13.554 1.00 7.63 S ATOM 934 H CYS A 102 -9.213 -7.277 15.248 1.00 0.00 H ATOM 935 N LYS A 103 -10.573 -7.634 18.416 1.00 7.56 N ATOM 936 CA LYS A 103 -10.756 -7.711 19.854 1.00 7.36 C ATOM 937 C LYS A 103 -12.178 -7.593 20.259 1.00 7.84 C ATOM 938 O LYS A 103 -12.997 -6.896 19.613 1.00 8.79 O ATOM 939 CB LYS A 103 -9.955 -6.573 20.553 1.00 8.89 C ATOM 940 CG LYS A 103 -8.478 -6.485 20.227 1.00 9.93 C ATOM 941 CD LYS A 103 -7.745 -7.817 20.285 1.00 10.50 C ATOM 942 CE LYS A 103 -7.737 -8.435 21.678 1.00 10.26 C ATOM 943 NZ LYS A 103 -6.954 -9.669 21.708 1.00 11.97 N ATOM 944 HZ1 LYS A 103 -7.365 -10.355 21.044 1.00 0.00 H ATOM 945 HZ2 LYS A 103 -5.973 -9.462 21.432 1.00 0.00 H ATOM 946 HZ3 LYS A 103 -6.969 -10.064 22.670 1.00 0.00 H ATOM 947 H LYS A 103 -10.042 -6.842 18.001 1.00 0.00 H ATOM 948 N ARG A 104 -12.513 -8.267 21.363 1.00 8.13 N ATOM 949 CA ARG A 104 -13.813 -8.130 22.005 1.00 7.91 C ATOM 950 C ARG A 104 -13.757 -7.052 23.080 1.00 9.38 C ATOM 951 O ARG A 104 -12.726 -6.919 23.771 1.00 10.84 O ATOM 952 CB ARG A 104 -14.255 -9.485 22.603 1.00 9.85 C ATOM 953 CG ARG A 104 -14.751 -10.480 21.599 1.00 11.87 C ATOM 954 CD ARG A 104 -13.710 -11.066 20.708 1.00 11.67 C ATOM 955 NE ARG A 104 -12.789 -11.899 21.440 1.00 13.27 N ATOM 956 CZ ARG A 104 -11.517 -12.086 21.122 1.00 12.63 C ATOM 957 NH1 ARG A 104 -10.769 -12.809 21.905 1.00 15.84 N ATOM 958 NH2 ARG A 104 -10.965 -11.522 20.031 1.00 11.96 N ATOM 959 HE ARG A 104 -13.151 -12.391 22.282 1.00 0.00 H ATOM 960 HH12 ARG A 104 -9.768 -12.965 21.669 1.00 0.00 H ATOM 961 HH11 ARG A 104 -11.172 -13.230 22.766 1.00 0.00 H ATOM 962 HH22 ARG A 104 -9.963 -11.689 19.810 1.00 0.00 H ATOM 963 HH21 ARG A 104 -11.541 -10.919 19.409 1.00 0.00 H ATOM 964 H ARG A 104 -11.817 -8.916 21.781 1.00 0.00 H ATOM 965 N GLY A 105 -14.866 -6.369 23.254 1.00 9.98 N ATOM 966 CA GLY A 105 -15.000 -5.329 24.268 1.00 11.99 C ATOM 967 C GLY A 105 -15.630 -4.078 23.668 1.00 8.71 C ATOM 968 O GLY A 105 -16.491 -4.182 22.821 1.00 10.63 O ATOM 969 H GLY A 105 -15.682 -6.579 22.644 1.00 0.00 H ATOM 970 N ARG A 106 -15.207 -2.897 24.132 1.00 9.71 N ATOM 971 CA ARG A 106 -15.679 -1.608 23.598 1.00 8.39 C ATOM 972 C ARG A 106 -14.491 -0.750 23.268 1.00 10.71 C ATOM 973 O ARG A 106 -13.918 -0.188 24.081 1.00 96.01 O ATOM 974 CB ARG A 106 -16.588 -0.955 24.619 1.00 8.81 C ATOM 975 CG ARG A 106 -17.993 -1.553 24.632 1.00 8.59 C ATOM 976 CD ARG A 106 -18.899 -0.882 25.656 1.00 9.43 C ATOM 977 NE ARG A 106 -20.266 -1.334 25.544 1.00 9.28 N ATOM 978 CZ ARG A 106 -20.769 -2.474 26.053 1.00 8.52 C ATOM 979 NH1 ARG A 106 -20.039 -3.256 26.832 1.00 10.43 N ATOM 980 NH2 ARG A 106 -21.986 -2.841 25.733 1.00 10.04 N ATOM 981 HE ARG A 106 -20.924 -0.721 25.021 1.00 0.00 H ATOM 982 HH12 ARG A 106 -20.445 -4.133 27.216 1.00 0.00 H ATOM 983 HH11 ARG A 106 -19.059 -2.994 27.060 1.00 0.00 H ATOM 984 HH22 ARG A 106 -22.383 -3.720 26.121 1.00 0.00 H ATOM 985 HH21 ARG A 106 -22.555 -2.253 25.091 1.00 0.00 H ATOM 986 H ARG A 106 -14.512 -2.888 24.906 1.00 0.00 H ATOM 987 N TYR A 107 -14.121 -0.709 22.086 1.00 16.51 N ATOM 988 CA TYR A 107 -13.062 0.166 21.571 1.00 15.17 C ATOM 989 C TYR A 107 -13.561 1.198 20.730 1.00 14.39 C ATOM 990 O TYR A 107 -14.663 1.105 20.203 1.00 13.58 O ATOM 991 CB TYR A 107 -12.226 -0.630 20.739 1.00 14.66 C ATOM 992 CG TYR A 107 -11.852 -1.766 21.423 1.00 11.67 C ATOM 993 CD1 TYR A 107 -10.712 -1.748 22.220 1.00 13.79 C ATOM 994 CD2 TYR A 107 -12.613 -2.909 21.386 1.00 10.48 C ATOM 995 CE1 TYR A 107 -10.328 -2.825 22.944 1.00 13.32 C ATOM 996 CE2 TYR A 107 -12.205 -4.053 22.075 1.00 10.42 C ATOM 997 CZ TYR A 107 -11.100 -3.983 22.892 1.00 12.83 C ATOM 998 OH TYR A 107 -10.722 -5.090 23.592 1.00 13.78 O ATOM 999 HH TYR A 107 -11.458 -5.366 24.194 1.00 0.00 H ATOM 1000 H TYR A 107 -14.596 -1.341 21.410 1.00 0.00 H ATOM 1001 N GLU A 108 -12.732 2.174 20.496 1.00 18.25 N ATOM 1002 CA GLU A 108 -12.963 3.218 19.477 1.00 16.77 C ATOM 1003 C GLU A 108 -12.394 2.793 18.138 1.00 16.84 C ATOM 1004 O GLU A 108 -11.330 2.193 18.071 1.00 21.10 O ATOM 1005 CB GLU A 108 -12.389 4.570 19.912 1.00 20.01 C ATOM 1006 CG GLU A 108 -13.150 5.201 21.083 1.00 30.17 C ATOM 1007 CD GLU A 108 -12.735 6.636 21.372 1.00 52.71 C ATOM 1008 OE1 GLU A 108 -12.131 7.283 20.487 1.00 44.41 O ATOM 1009 OE2 GLU A 108 -13.076 7.134 22.473 1.00 95.95 O ATOM 1010 H GLU A 108 -11.858 2.221 21.058 1.00 0.00 H ATOM 1011 N TYR A 109 -13.137 3.109 17.072 1.00 11.16 N ATOM 1012 CA TYR A 109 -12.737 2.837 15.698 1.00 9.24 C ATOM 1013 C TYR A 109 -12.777 4.134 14.895 1.00 8.60 C ATOM 1014 O TYR A 109 -13.505 5.067 15.225 1.00 10.78 O ATOM 1015 CB TYR A 109 -13.641 1.802 15.056 1.00 8.45 C ATOM 1016 CG TYR A 109 -13.718 0.497 15.827 1.00 7.57 C ATOM 1017 CD1 TYR A 109 -14.642 0.322 16.832 1.00 7.97 C ATOM 1018 CD2 TYR A 109 -12.829 -0.517 15.608 1.00 8.18 C ATOM 1019 CE1 TYR A 109 -14.698 -0.852 17.593 1.00 7.62 C ATOM 1020 CE2 TYR A 109 -12.852 -1.696 16.349 1.00 7.65 C ATOM 1021 CZ TYR A 109 -13.781 -1.853 17.337 1.00 7.69 C ATOM 1022 OH TYR A 109 -13.802 -3.024 18.025 1.00 8.81 O ATOM 1023 HH TYR A 109 -14.522 -2.994 18.704 1.00 0.00 H ATOM 1024 H TYR A 109 -14.052 3.575 17.233 1.00 0.00 H ATOM 1025 N ASP A 110 -12.027 4.128 13.788 1.00 8.55 N ATOM 1026 CA ASP A 110 -12.063 5.217 12.834 1.00 7.70 C ATOM 1027 C ASP A 110 -12.989 4.825 11.680 1.00 7.14 C ATOM 1028 O ASP A 110 -12.648 3.972 10.843 1.00 7.99 O ATOM 1029 CB ASP A 110 -10.658 5.478 12.270 1.00 8.57 C ATOM 1030 CG ASP A 110 -9.697 6.067 13.268 1.00 11.14 C ATOM 1031 OD1 ASP A 110 -10.162 6.689 14.232 1.00 11.66 O ATOM 1032 OD2 ASP A 110 -8.475 5.923 13.051 1.00 19.17 O ATOM 1033 H ASP A 110 -11.400 3.318 13.607 1.00 0.00 H ATOM 1034 N PHE A 111 -14.203 5.393 11.671 1.00 6.87 N ATOM 1035 CA PHE A 111 -15.191 5.120 10.639 1.00 6.65 C ATOM 1036 C PHE A 111 -15.073 6.193 9.556 1.00 7.27 C ATOM 1037 O PHE A 111 -15.554 7.309 9.715 1.00 8.27 O ATOM 1038 CB PHE A 111 -16.583 5.112 11.256 1.00 7.16 C ATOM 1039 CG PHE A 111 -16.822 3.952 12.196 1.00 6.79 C ATOM 1040 CD1 PHE A 111 -17.058 2.696 11.688 1.00 6.65 C ATOM 1041 CD2 PHE A 111 -16.757 4.106 13.564 1.00 7.55 C ATOM 1042 CE1 PHE A 111 -17.275 1.607 12.530 1.00 7.05 C ATOM 1043 CE2 PHE A 111 -16.992 3.047 14.429 1.00 7.48 C ATOM 1044 CZ PHE A 111 -17.248 1.779 13.897 1.00 7.23 C ATOM 1045 H PHE A 111 -14.449 6.056 12.433 1.00 0.00 H ATOM 1046 N TRP A 112 -14.369 5.857 8.478 1.00 6.82 N ATOM 1047 CA TRP A 112 -14.137 6.793 7.398 1.00 7.51 C ATOM 1048 C TRP A 112 -15.313 6.922 6.447 1.00 7.94 C ATOM 1049 O TRP A 112 -15.370 7.908 5.678 1.00 11.28 O ATOM 1050 CB TRP A 112 -12.866 6.397 6.606 1.00 8.29 C ATOM 1051 CG TRP A 112 -11.599 6.695 7.299 1.00 8.19 C ATOM 1052 CD1 TRP A 112 -10.889 5.878 8.145 1.00 10.90 C ATOM 1053 CD2 TRP A 112 -10.878 7.916 7.252 1.00 9.85 C ATOM 1054 NE1 TRP A 112 -9.783 6.527 8.596 1.00 12.49 N ATOM 1055 CE2 TRP A 112 -9.741 7.771 8.054 1.00 11.77 C ATOM 1056 CE3 TRP A 112 -11.071 9.097 6.592 1.00 11.53 C ATOM 1057 CZ2 TRP A 112 -8.770 8.747 8.158 1.00 17.25 C ATOM 1058 CZ3 TRP A 112 -10.079 10.104 6.717 1.00 16.24 C ATOM 1059 CH2 TRP A 112 -8.965 9.900 7.473 1.00 19.73 C ATOM 1060 HE1 TRP A 112 -9.080 6.133 9.253 1.00 0.00 H ATOM 1061 H TRP A 112 -13.975 4.897 8.409 1.00 0.00 H ATOM 1062 N GLY A 113 -16.224 5.966 6.439 1.00 7.19 N ATOM 1063 CA GLY A 113 -17.346 5.986 5.534 1.00 7.76 C ATOM 1064 C GLY A 113 -18.610 6.452 6.210 1.00 7.22 C ATOM 1065 O GLY A 113 -18.779 6.334 7.441 1.00 9.15 O ATOM 1066 H GLY A 113 -16.129 5.174 7.106 1.00 0.00 H ATOM 1067 N GLN A 114 -19.574 6.874 5.396 1.00 7.53 N ATOM 1068 CA GLN A 114 -20.872 7.291 5.889 1.00 8.63 C ATOM 1069 C GLN A 114 -21.795 6.113 6.167 1.00 7.56 C ATOM 1070 O GLN A 114 -22.944 6.308 6.618 1.00 9.78 O ATOM 1071 CB GLN A 114 -21.521 8.250 4.888 1.00 10.78 C ATOM 1072 CG GLN A 114 -20.880 9.672 4.841 1.00 12.18 C ATOM 1073 CD GLN A 114 -21.804 10.703 4.078 1.00 23.78 C ATOM 1074 OE1 GLN A 114 -23.012 10.505 4.027 1.00 44.66 O ATOM 1075 NE2 GLN A 114 -21.198 11.787 3.447 1.00 15.87 N ATOM 1076 HE22 GLN A 114 -20.169 11.919 3.515 1.00 0.00 H ATOM 1077 HE21 GLN A 114 -21.775 12.464 2.908 1.00 0.00 H ATOM 1078 H GLN A 114 -19.390 6.906 4.373 1.00 0.00 H ATOM 1079 N GLY A 115 -21.322 4.896 5.908 1.00 7.49 N ATOM 1080 CA GLY A 115 -22.140 3.710 6.139 1.00 7.89 C ATOM 1081 C GLY A 115 -23.030 3.398 4.965 1.00 8.43 C ATOM 1082 O GLY A 115 -23.086 4.161 3.969 1.00 13.42 O ATOM 1083 H GLY A 115 -20.357 4.789 5.536 1.00 0.00 H ATOM 1084 N THR A 116 -23.729 2.273 5.034 1.00 6.49 N ATOM 1085 CA THR A 116 -24.714 1.965 4.041 1.00 6.73 C ATOM 1086 C THR A 116 -25.998 1.507 4.743 1.00 7.04 C ATOM 1087 O THR A 116 -25.982 0.625 5.621 1.00 7.18 O ATOM 1088 CB THR A 116 -24.172 0.970 2.993 1.00 6.95 C ATOM 1089 OG1 THR A 116 -25.020 0.915 1.862 1.00 10.02 O ATOM 1090 CG2 THR A 116 -23.986 -0.451 3.518 1.00 6.11 C ATOM 1091 HG1 THR A 116 -24.652 0.272 1.206 1.00 0.00 H ATOM 1092 H THR A 116 -23.560 1.609 5.816 1.00 0.00 H ATOM 1093 N GLN A 117 -27.120 2.147 4.393 1.00 8.54 N ATOM 1094 CA GLN A 117 -28.414 1.861 5.050 1.00 7.95 C ATOM 1095 C GLN A 117 -28.972 0.550 4.560 1.00 6.54 C ATOM 1096 O GLN A 117 -29.149 0.352 3.327 1.00 7.65 O ATOM 1097 CB GLN A 117 -29.401 2.986 4.785 1.00 9.02 C ATOM 1098 CG GLN A 117 -30.855 2.810 5.403 1.00 11.01 C ATOM 1099 CD GLN A 117 -30.941 2.818 6.958 1.00 13.09 C ATOM 1100 OE1 GLN A 117 -31.388 1.848 7.604 1.00 16.49 O ATOM 1101 NE2 GLN A 117 -30.554 3.868 7.518 1.00 19.46 N ATOM 1102 HE22 GLN A 117 -30.187 4.657 6.948 1.00 0.00 H ATOM 1103 HE21 GLN A 117 -30.599 3.952 8.554 1.00 0.00 H ATOM 1104 H GLN A 117 -27.081 2.863 3.640 1.00 0.00 H ATOM 1105 N VAL A 118 -29.383 -0.300 5.496 1.00 6.51 N ATOM 1106 CA VAL A 118 -30.088 -1.528 5.218 1.00 6.23 C ATOM 1107 C VAL A 118 -31.431 -1.430 5.930 1.00 6.62 C ATOM 1108 O VAL A 118 -31.478 -1.257 7.148 1.00 7.99 O ATOM 1109 CB VAL A 118 -29.269 -2.725 5.717 1.00 7.01 C ATOM 1110 CG1 VAL A 118 -30.105 -4.013 5.603 1.00 9.07 C ATOM 1111 CG2 VAL A 118 -27.967 -2.851 4.912 1.00 6.79 C ATOM 1112 H VAL A 118 -29.184 -0.065 6.490 1.00 0.00 H ATOM 1113 N THR A 119 -32.491 -1.540 5.168 1.00 6.44 N ATOM 1114 CA THR A 119 -33.847 -1.507 5.713 1.00 6.84 C ATOM 1115 C THR A 119 -34.528 -2.811 5.371 1.00 7.19 C ATOM 1116 O THR A 119 -34.652 -3.157 4.218 1.00 8.59 O ATOM 1117 CB THR A 119 -34.637 -0.321 5.193 1.00 7.69 C ATOM 1118 OG1 THR A 119 -33.911 0.882 5.547 1.00 8.44 O ATOM 1119 CG2 THR A 119 -36.037 -0.287 5.792 1.00 9.95 C ATOM 1120 HG1 THR A 119 -34.406 1.674 5.218 1.00 0.00 H ATOM 1121 H THR A 119 -32.364 -1.655 4.142 1.00 0.00 H ATOM 1122 N VAL A 120 -35.007 -3.515 6.389 1.00 6.94 N ATOM 1123 CA VAL A 120 -35.675 -4.791 6.168 1.00 7.26 C ATOM 1124 C VAL A 120 -37.099 -4.600 6.595 1.00 8.46 C ATOM 1125 O VAL A 120 -37.382 -4.463 7.816 1.00 10.89 O ATOM 1126 CB VAL A 120 -34.990 -5.929 6.976 1.00 7.76 C ATOM 1127 CG1 VAL A 120 -35.601 -7.259 6.599 1.00 8.92 C ATOM 1128 CG2 VAL A 120 -33.507 -5.951 6.697 1.00 8.49 C ATOM 1129 H VAL A 120 -34.904 -3.151 7.358 1.00 0.00 H ATOM 1130 N SER A 121 -38.008 -4.534 5.613 1.00 8.86 N ATOM 1131 CA SER A 121 -39.407 -4.250 5.957 1.00 12.04 C ATOM 1132 C SER A 121 -40.312 -4.747 4.950 1.00 16.56 C ATOM 1133 O SER A 121 -39.959 -4.942 3.776 1.00 19.01 O ATOM 1134 CB SER A 121 -39.636 -2.757 6.179 1.00 10.05 C ATOM 1135 OG SER A 121 -39.456 -2.008 4.977 1.00 11.56 O ATOM 1136 HG SER A 121 -39.613 -1.048 5.161 1.00 0.00 H ATOM 1137 H SER A 121 -37.727 -4.682 4.623 1.00 0.00 H ATOM 1138 N SER A 122 -41.478 -5.145 5.471 1.00 21.09 N ATOM 1139 CA SER A 122 -42.608 -5.698 4.695 1.00 25.72 C ATOM 1140 C SER A 122 -43.663 -4.642 4.476 1.00 28.21 C ATOM 1141 O SER A 122 -43.981 -3.909 5.384 1.00 26.95 O ATOM 1142 CB SER A 122 -43.213 -6.891 5.442 1.00 32.01 C ATOM 1143 OG SER A 122 -44.310 -7.336 4.793 1.00 37.49 O ATOM 1144 HG SER A 122 -44.059 -7.618 3.878 1.00 0.00 H ATOM 1145 H SER A 122 -41.599 -5.059 6.500 1.00 0.00 H ATOM 1146 N LYS A 123 -44.228 -4.590 3.255 1.00 41.62 N ATOM 1147 HN3 LYS A 123 -44.074 -3.647 2.843 1.00 0.00 H ATOM 1148 HN2 LYS A 123 -45.249 -4.771 3.339 1.00 0.00 H ATOM 1149 HN1 LYS A 123 -43.796 -5.312 2.643 1.00 0.00 H TER 1150 LYS A 123 HETATM 1151 O HOH 1 -8.004 -5.703 23.961 1.00 16.25 O HETATM 1152 O HOH 2 -24.247 10.366 6.573 1.00 21.97 O HETATM 1153 O HOH 3 -19.533 -18.424 17.782 1.00 28.05 O HETATM 1154 O HOH 4 -26.739 -8.539 18.020 1.00 19.75 O HETATM 1155 O HOH 5 -35.341 -11.473 16.820 1.00 24.86 O HETATM 1156 O HOH 6 -34.909 0.131 18.455 1.00 18.40 O HETATM 1157 O HOH 7 -9.694 1.138 16.571 1.00 26.10 O HETATM 1158 O HOH 8 -42.938 -8.715 3.233 1.00 35.05 O HETATM 1159 O HOH 9 -40.353 0.487 5.922 1.00 23.92 O HETATM 1160 O HOH 10 -12.409 -5.441 -7.896 1.00 24.76 O HETATM 1161 O HOH 11 -41.145 -7.508 -2.765 1.00 44.79 O HETATM 1162 O HOH 12 -39.963 -8.673 14.152 1.00 34.92 O HETATM 1163 O HOH 13 -7.864 -13.157 15.540 1.00 37.10 O HETATM 1164 O HOH 14 -21.265 -16.152 17.453 1.00 16.54 O HETATM 1165 O HOH 15 -4.382 -9.261 9.375 1.00 14.66 O HETATM 1166 O HOH 16 -15.190 -3.088 20.215 1.00 15.38 O HETATM 1167 O HOH 17 -16.406 -17.390 8.307 1.00 11.19 O HETATM 1168 O HOH 18 -13.277 -8.384 -4.551 1.00 15.43 O HETATM 1169 O HOH 19 -1.980 -6.149 0.458 1.00 29.86 O HETATM 1170 O HOH 20 -1.298 -1.235 16.682 1.00 23.40 O HETATM 1171 O HOH 21 -16.965 3.821 8.204 1.00 9.27 O HETATM 1172 O HOH 22 -21.753 -5.012 -2.427 1.00 10.36 O HETATM 1173 O HOH 23 -29.781 -3.929 13.548 1.00 17.78 O HETATM 1174 O HOH 24 -6.093 -3.861 -6.659 1.00 19.40 O HETATM 1175 O HOH 25 -11.611 -16.218 -0.707 1.00 24.86 O HETATM 1176 O HOH 26 -24.352 6.082 2.625 1.00 20.86 O HETATM 1177 O HOH 27 -23.687 7.544 8.945 1.00 16.61 O HETATM 1178 O HOH 28 -19.774 1.574 22.423 1.00 26.48 O HETATM 1179 O HOH 29 -15.436 -16.487 5.792 1.00 23.65 O HETATM 1180 O HOH 30 -9.967 -1.660 -1.897 1.00 8.79 O HETATM 1181 O HOH 31 -33.370 2.046 3.194 1.00 12.92 O HETATM 1182 O HOH 32 -11.719 5.160 -4.063 1.00 23.46 O HETATM 1183 O HOH 33 -19.360 7.821 9.610 1.00 16.88 O HETATM 1184 O HOH 34 -28.209 -3.909 16.624 1.00 28.53 O HETATM 1185 O HOH 35 -41.528 -1.804 3.140 1.00 26.62 O HETATM 1186 O HOH 36 -22.145 -2.560 -3.674 1.00 9.22 O HETATM 1187 O HOH 37 -10.959 2.757 7.353 1.00 37.28 O HETATM 1188 O HOH 38 -18.217 -5.016 -4.574 1.00 13.31 O HETATM 1189 O HOH 39 -12.195 -5.158 17.549 1.00 10.09 O HETATM 1190 O HOH 40 -11.773 -9.330 -1.936 1.00 9.70 O HETATM 1191 O HOH 41 -7.728 5.706 10.449 1.00 25.91 O HETATM 1192 O HOH 42 -29.249 -2.764 -3.131 1.00 18.03 O HETATM 1193 O HOH 43 -33.377 -2.565 13.712 1.00 17.55 O HETATM 1194 O HOH 44 -17.181 -0.298 -0.883 1.00 9.12 O HETATM 1195 O HOH 45 -21.013 -7.769 19.003 1.00 16.13 O HETATM 1196 O HOH 46 -39.697 -13.177 1.804 1.00 8.60 O HETATM 1197 O HOH 47 -9.443 2.407 20.053 1.00 36.00 O HETATM 1198 O HOH 48 -15.590 -4.417 -4.828 1.00 14.40 O HETATM 1199 O HOH 49 -23.634 -15.912 4.796 1.00 12.08 O HETATM 1200 O HOH 50 -35.167 2.503 7.382 1.00 17.80 O HETATM 1201 O HOH 51 -21.564 -17.332 10.260 1.00 17.25 O HETATM 1202 O HOH 52 -10.739 2.203 9.940 1.00 10.60 O HETATM 1203 O HOH 53 -9.758 -3.935 17.511 1.00 13.98 O HETATM 1204 O HOH 54 -26.085 -5.772 -1.843 1.00 15.99 O HETATM 1205 O HOH 55 -30.514 -5.080 16.023 1.00 21.86 O HETATM 1206 O HOH 56 -2.757 -2.085 0.222 1.00 30.84 O HETATM 1207 O HOH 57 -33.304 -17.436 10.304 1.00 26.09 O HETATM 1208 O HOH 58 -10.392 1.801 13.303 1.00 13.78 O HETATM 1209 O HOH 59 -9.005 4.402 0.427 1.00 14.49 O HETATM 1210 O HOH 60 -25.295 5.624 13.092 1.00 18.01 O HETATM 1211 O HOH 61 -8.787 -13.949 -0.707 1.00 23.00 O HETATM 1212 O HOH 62 -19.850 -17.260 2.483 1.00 12.43 O HETATM 1213 O HOH 63 -5.239 -4.515 10.858 1.00 11.85 O HETATM 1214 O HOH 64 -2.682 -8.940 -2.091 1.00 33.31 O HETATM 1215 O HOH 65 -21.946 -14.000 -1.714 1.00 9.97 O HETATM 1216 O HOH 66 -28.286 -15.533 13.056 1.00 15.48 O HETATM 1217 O HOH 67 -27.018 -1.400 16.625 1.00 12.05 O HETATM 1218 O HOH 68 -22.352 -12.367 20.389 1.00 18.64 O HETATM 1219 O HOH 69 -40.306 -4.906 0.962 1.00 32.50 O HETATM 1220 O HOH 70 -23.404 3.560 19.788 1.00 17.12 O HETATM 1221 O HOH 71 -13.764 3.145 7.751 1.00 12.81 O HETATM 1222 O HOH 72 -28.087 4.546 13.033 1.00 22.37 O HETATM 1223 O HOH 73 -20.112 4.881 1.644 1.00 23.76 O HETATM 1224 O HOH 74 -3.268 -5.097 2.764 1.00 14.82 O HETATM 1225 O HOH 75 -8.182 -1.166 14.770 1.00 19.44 O HETATM 1226 O HOH 76 -31.536 2.283 10.444 1.00 16.33 O HETATM 1227 O HOH 77 -18.897 7.349 2.639 1.00 14.74 O HETATM 1228 O HOH 78 -8.205 4.358 -6.820 1.00 45.50 O HETATM 1229 O HOH 79 -10.650 -9.697 23.043 1.00 18.66 O HETATM 1230 O HOH 80 -26.227 -3.168 20.265 1.00 27.81 O HETATM 1231 O HOH 81 -29.761 -9.631 14.361 1.00 10.89 O HETATM 1232 O HOH 82 -41.769 -4.943 8.368 1.00 59.39 O HETATM 1233 O HOH 83 -34.924 -9.904 18.750 1.00 29.91 O HETATM 1234 O HOH 84 -0.707 -8.444 8.672 1.00 21.41 O HETATM 1235 O HOH 85 -11.769 -14.658 3.088 1.00 14.94 O HETATM 1236 O HOH 86 -37.510 -2.070 9.662 1.00 33.52 O HETATM 1237 O HOH 87 -35.024 -16.401 4.600 1.00 18.91 O HETATM 1238 O HOH 88 -17.363 9.517 8.875 1.00 25.08 O HETATM 1239 O HOH 89 -27.921 -1.823 22.347 1.00 16.42 O HETATM 1240 O HOH 90 -6.096 1.391 -6.493 1.00 40.79 O HETATM 1241 O HOH 91 -8.026 2.718 9.693 1.00 24.80 O HETATM 1242 O HOH 92 -2.870 -2.365 -3.343 1.00 31.71 O HETATM 1243 O HOH 93 -25.280 -10.944 19.348 1.00 18.42 O HETATM 1244 O HOH 94 -25.667 6.350 5.323 1.00 28.21 O HETATM 1245 O HOH 95 -26.516 -18.379 5.579 1.00 10.46 O HETATM 1246 O HOH 96 -6.644 3.944 2.134 1.00 23.42 O HETATM 1247 O HOH 97 -36.456 -7.609 -1.460 1.00 17.30 O HETATM 1248 O HOH 98 -7.952 2.883 12.810 1.00 36.80 O HETATM 1249 O HOH 99 -10.181 2.203 22.264 1.00 25.95 O HETATM 1250 O HOH 100 -24.244 7.443 14.452 1.00 27.52 O HETATM 1251 O HOH 101 -42.490 -6.807 1.052 1.00 36.65 O HETATM 1252 O HOH 102 -32.859 -3.681 16.218 1.00 28.71 O HETATM 1253 O HOH 103 -21.735 9.359 9.455 1.00 21.51 O HETATM 1254 O HOH 104 -33.345 -18.503 5.011 1.00 14.83 O HETATM 1255 O HOH 105 -35.752 -1.946 -3.688 1.00 27.84 O HETATM 1256 O HOH 106 -17.626 11.546 5.053 1.00 34.65 O HETATM 1257 O HOH 107 -5.403 -13.159 17.107 1.00 22.67 O HETATM 1258 O HOH 108 -24.154 -21.426 12.811 1.00 29.61 O HETATM 1259 O HOH 109 -35.816 -1.706 13.620 1.00 89.54 O HETATM 1260 O HOH 110 -14.117 -4.123 27.568 1.00138.11 O HETATM 1261 O HOH 111 -26.088 -22.605 8.381 1.00 35.23 O HETATM 1262 O HOH 112 -27.395 -11.867 20.667 1.00 22.42 O HETATM 1263 O HOH 113 -34.234 2.867 10.025 1.00 17.64 O HETATM 1264 O HOH 114 -29.382 -18.287 6.037 1.00 21.23 O HETATM 1265 O HOH 115 -14.898 -5.627 -7.161 1.00 33.48 O HETATM 1266 O HOH 116 -14.169 -0.945 28.018 1.00 45.38 O HETATM 1267 O HOH 117 -10.531 5.346 -6.547 1.00 34.24 O HETATM 1268 O HOH 118 -18.838 -11.128 -3.488 1.00 17.82 O HETATM 1269 O HOH 119 -15.662 -1.760 -5.333 1.00 19.66 O HETATM 1270 O HOH 120 -18.374 3.280 24.697 1.00 97.95 O HETATM 1271 O HOH 121 -20.034 6.710 12.073 1.00 9.91 O HETATM 1272 O HOH 122 -20.803 3.798 20.747 1.00 19.69 O HETATM 1273 O HOH 123 -15.462 13.152 12.608 1.00 16.86 O HETATM 1274 O HOH 124 -18.194 10.105 17.831 1.00 34.93 O HETATM 1275 O HOH 125 -21.824 8.716 15.112 1.00 35.09 O HETATM 1276 O HOH 126 -12.075 13.149 12.715 1.00 10.32 O HETATM 1277 O HOH 127 -17.643 6.982 21.091 1.00 25.18 O HETATM 1278 O HOH 128 -17.971 -6.461 27.301 1.00 19.28 O HETATM 1279 O HOH 129 -14.615 10.828 5.899 1.00 37.90 O HETATM 1280 O HOH 130 -13.834 -16.275 19.857 1.00 26.61 O HETATM 1281 O HOH 131 -21.525 10.370 11.972 1.00 23.26 O HETATM 1282 O HOH 132 -17.513 12.108 11.149 1.00 32.11 O HETATM 1283 O HOH 133 -19.936 12.594 11.669 1.00 35.11 O HETATM 1284 C N A 7 -14.114 10.140 11.405 1.00 0.20 C HETATM 1285 O N A 7 -13.791 11.064 12.208 1.00 -0.39 O HETATM 1286 CA N A 7 -13.208 9.754 10.250 1.00 0.13 C HETATM 1287 N N A 7 -12.344 10.856 9.847 1.00 -0.25 N HETATM 1288 C1 N A 7 -12.725 11.805 9.044 1.00 0.18 C HETATM 1289 O1 N A 7 -13.860 11.742 8.605 1.00 -0.40 O HETATM 1290 C2 N A 7 -11.779 12.900 8.692 1.00 0.03 C HETATM 1291 H2 N A 7 -12.273 13.605 8.008 1.00 0.05 H HETATM 1292 H3 N A 7 -10.891 12.474 8.201 1.00 0.05 H HETATM 1293 H4 N A 7 -11.474 13.429 9.607 1.00 0.05 H HETATM 1294 CD N A 7 -10.994 10.695 10.390 1.00 0.04 C HETATM 1295 CG N A 7 -11.115 9.399 11.210 1.00 -0.03 C HETATM 1296 CB N A 7 -12.271 8.661 10.666 1.00 -0.01 C HETATM 1297 H9 N A 7 -11.976 8.045 9.804 1.00 0.03 H HETATM 1298 H10 N A 7 -12.728 8.021 11.435 1.00 0.03 H HETATM 1299 H7 N A 7 -11.281 9.636 12.271 1.00 0.03 H HETATM 1300 H8 N A 7 -10.199 8.798 11.107 1.00 0.03 H HETATM 1301 H5 N A 7 -10.719 11.546 11.031 1.00 0.05 H HETATM 1302 H6 N A 7 -10.252 10.588 9.585 1.00 0.05 H HETATM 1303 H1 N A 7 -13.827 9.428 9.401 1.00 0.08 H HETATM 1304 N N A 7 -15.204 9.445 11.585 1.00 -0.26 N HETATM 1305 CA N A 7 -15.985 9.482 12.799 1.00 0.14 C HETATM 1306 C N A 7 -15.314 8.557 13.793 1.00 0.21 C HETATM 1307 O N A 7 -15.322 7.304 13.613 1.00 -0.39 O HETATM 1308 N N A 7 -14.694 9.093 14.822 1.00 -0.26 N HETATM 1309 CA N A 7 -13.955 8.271 15.780 1.00 0.13 C HETATM 1310 C N A 7 -14.927 7.933 16.945 1.00 0.20 C HETATM 1311 O N A 7 -15.236 8.788 17.788 1.00 -0.39 O HETATM 1312 N N A 7 -15.415 6.708 16.936 1.00 -0.26 N HETATM 1313 CA N A 7 -16.580 6.285 17.681 1.00 0.13 C HETATM 1314 C N A 7 -16.398 4.914 18.264 1.00 0.20 C HETATM 1315 O N A 7 -15.884 4.015 17.603 1.00 -0.39 O HETATM 1316 N N A 7 -16.899 4.710 19.502 1.00 -0.26 N HETATM 1317 CA N A 7 -16.915 3.374 20.098 1.00 0.13 C HETATM 1318 C N A 7 -17.933 2.463 19.482 1.00 0.20 C HETATM 1319 O N A 7 -18.971 2.894 19.000 1.00 -0.39 O HETATM 1320 N N A 7 -17.668 1.164 19.583 1.00 -0.26 N HETATM 1321 CA N A 7 -18.683 0.142 19.292 1.00 0.13 C HETATM 1322 C N A 7 -18.402 -1.069 20.187 1.00 0.20 C HETATM 1323 O N A 7 -17.257 -1.285 20.600 1.00 -0.39 O HETATM 1324 N N A 7 -19.460 -1.796 20.500 1.00 -0.26 N HETATM 1325 CA N A 7 -19.307 -3.025 21.271 1.00 0.13 C HETATM 1326 C N A 7 -19.065 -4.200 20.332 1.00 0.20 C HETATM 1327 O N A 7 -19.723 -4.329 19.318 1.00 -0.39 O HETATM 1328 N N A 7 -18.080 -5.030 20.685 1.00 -0.26 N HETATM 1329 CA N A 7 -17.821 -6.278 19.936 1.00 0.15 C HETATM 1330 C N A 7 -17.852 -7.470 20.843 1.00 0.21 C HETATM 1331 O N A 7 -16.967 -7.644 21.723 1.00 -0.39 O HETATM 1332 N N A 7 -18.915 -8.243 20.698 1.00 -0.26 N HETATM 1333 CA N A 7 -19.100 -9.517 21.418 1.00 0.14 C HETATM 1334 C N A 7 -19.099 -10.682 20.446 1.00 0.21 C HETATM 1335 O N A 7 -19.540 -11.769 20.751 1.00 -0.39 O HETATM 1336 N N A 7 -18.384 -10.522 19.346 1.00 -0.26 N HETATM 1337 CA N A 7 -18.272 -11.552 18.341 1.00 0.14 C HETATM 1338 C N A 7 -17.352 -12.668 18.779 1.00 0.21 C HETATM 1339 O N A 7 -16.463 -12.478 19.615 1.00 -0.39 O HETATM 1340 N N A 7 -17.635 -13.883 18.253 1.00 -0.26 N HETATM 1341 CA N A 7 -16.918 -15.088 18.622 1.00 0.13 C HETATM 1342 C N A 7 -16.588 -15.875 17.372 1.00 0.20 C HETATM 1343 O N A 7 -17.333 -15.840 16.408 1.00 -0.39 O HETATM 1344 N07 N A 7 -15.484 -16.648 17.426 1.00 -0.26 N HETATM 1345 C06 N A 7 -15.154 -17.515 16.331 1.00 0.13 C HETATM 1346 C05 N A 7 -13.815 -18.119 16.506 1.00 0.00 C HETATM 1347 C04 N A 7 -12.757 -17.104 16.423 1.00 0.04 C HETATM 1348 C02 N A 7 -11.433 -17.758 16.318 1.00 0.17 C HETATM 1349 N01 N A 7 -10.549 -17.584 17.331 1.00 -0.30 N HETATM 1350 H90 N A 7 -10.811 -17.055 18.138 1.00 0.18 H HETATM 1351 H91 N A 7 -9.635 -17.985 17.271 1.00 0.18 H HETATM 1352 O03 N A 7 -11.122 -18.409 15.317 1.00 -0.40 O HETATM 1353 H92 N A 7 -12.924 -16.476 15.536 1.00 0.05 H HETATM 1354 H93 N A 7 -12.783 -16.477 17.326 1.00 0.05 H HETATM 1355 H94 N A 7 -13.768 -18.606 17.491 1.00 0.03 H HETATM 1356 H95 N A 7 -13.655 -18.869 15.718 1.00 0.03 H HETATM 1357 C08 N A 7 -16.154 -18.659 16.288 1.00 0.20 C HETATM 1358 N09 N A 7 -16.739 -19.037 17.428 1.00 -0.30 N HETATM 1359 H98 N A 7 -17.400 -19.787 17.426 1.00 0.18 H HETATM 1360 H99 N A 7 -16.515 -18.570 18.284 1.00 0.18 H HETATM 1361 O10 N A 7 -16.501 -19.219 15.202 1.00 -0.39 O HETATM 1362 H96 N A 7 -15.186 -16.945 15.391 1.00 0.08 H HETATM 1363 H97 N A 7 -14.893 -16.617 18.232 1.00 0.19 H HETATM 1364 CB N A 7 -17.791 -15.940 19.552 1.00 0.00 C HETATM 1365 CG N A 7 -18.322 -15.212 20.792 1.00 0.04 C HETATM 1366 CD N A 7 -17.733 -15.746 22.053 1.00 0.17 C HETATM 1367 OE1 N A 7 -18.441 -16.326 22.893 1.00 -0.40 O HETATM 1368 NE2 N A 7 -16.434 -15.536 22.228 1.00 -0.30 N HETATM 1369 H88 N A 7 -15.980 -15.870 23.054 1.00 0.18 H HETATM 1370 H89 N A 7 -15.909 -15.044 21.534 1.00 0.18 H HETATM 1371 H86 N A 7 -19.415 -15.332 20.833 1.00 0.05 H HETATM 1372 H87 N A 7 -18.073 -14.144 20.709 1.00 0.05 H HETATM 1373 H84 N A 7 -17.192 -16.798 19.891 1.00 0.03 H HETATM 1374 H85 N A 7 -18.654 -16.301 18.973 1.00 0.03 H HETATM 1375 H83 N A 7 -15.987 -14.817 19.141 1.00 0.08 H HETATM 1376 H82 N A 7 -18.371 -13.952 17.580 1.00 0.19 H HETATM 1377 CB N A 7 -17.875 -10.908 16.998 1.00 0.00 C HETATM 1378 CG N A 7 -16.678 -9.947 17.037 1.00 -0.04 C HETATM 1379 CD1 N A 7 -15.529 -10.099 17.762 1.00 0.02 C HETATM 1380 NE1 N A 7 -14.696 -9.071 17.515 1.00 -0.29 N HETATM 1381 CE2 N A 7 -15.275 -8.244 16.591 1.00 0.06 C HETATM 1382 CD2 N A 7 -16.520 -8.772 16.277 1.00 -0.02 C HETATM 1383 CE3 N A 7 -17.316 -8.112 15.337 1.00 -0.07 C HETATM 1384 CZ3 N A 7 -16.863 -6.943 14.789 1.00 -0.08 C HETATM 1385 CH2 N A 7 -15.632 -6.404 15.175 1.00 -0.08 C HETATM 1386 CZ2 N A 7 -14.819 -7.051 16.061 1.00 -0.04 C HETATM 1387 H79 N A 7 -13.853 -6.645 16.338 1.00 0.05 H HETATM 1388 H81 N A 7 -15.316 -5.453 14.762 1.00 0.05 H HETATM 1389 H80 N A 7 -17.465 -6.429 14.048 1.00 0.05 H HETATM 1390 H78 N A 7 -18.277 -8.520 15.046 1.00 0.05 H HETATM 1391 H77 N A 7 -13.773 -8.930 17.950 1.00 0.22 H HETATM 1392 H76 N A 7 -15.319 -10.927 18.438 1.00 0.08 H HETATM 1393 H74 N A 7 -18.744 -10.347 16.624 1.00 0.04 H HETATM 1394 H75 N A 7 -17.632 -11.719 16.295 1.00 0.04 H HETATM 1395 H73 N A 7 -19.269 -11.997 18.207 1.00 0.08 H HETATM 1396 H72 N A 7 -17.904 -9.656 19.205 1.00 0.19 H HETATM 1397 CB N A 7 -20.361 -9.464 22.259 1.00 0.01 C HETATM 1398 CG N A 7 -20.260 -8.503 23.386 1.00 -0.00 C HETATM 1399 ND1 N A 7 -21.356 -7.946 23.949 1.00 -0.33 N HETATM 1400 CE1 N A 7 -21.023 -7.144 24.932 1.00 0.09 C HETATM 1401 NE2 N A 7 -19.718 -7.206 25.073 1.00 -0.28 N HETATM 1402 CD2 N A 7 -19.207 -8.045 24.093 1.00 0.03 C HETATM 1403 H69 N A 7 -18.158 -8.287 23.927 1.00 0.07 H HETATM 1404 H71 N A 7 -19.167 -6.714 25.791 1.00 0.24 H HETATM 1405 H70 N A 7 -21.705 -6.536 25.525 1.00 0.12 H HETATM 1406 H67 N A 7 -20.553 -10.467 22.668 1.00 0.04 H HETATM 1407 H68 N A 7 -21.201 -9.164 21.615 1.00 0.04 H HETATM 1408 H66 N A 7 -18.248 -9.651 22.101 1.00 0.08 H HETATM 1409 H65 N A 7 -19.632 -7.948 20.066 1.00 0.19 H HETATM 1410 CB N A 7 -16.473 -6.162 19.215 1.00 0.08 C HETATM 1411 OG N A 7 -15.448 -5.796 20.122 1.00 -0.39 O HETATM 1412 H64 N A 7 -15.659 -4.957 20.515 1.00 0.21 H HETATM 1413 H62 N A 7 -16.549 -5.397 18.429 1.00 0.06 H HETATM 1414 H63 N A 7 -16.223 -7.132 18.760 1.00 0.06 H HETATM 1415 H61 N A 7 -18.611 -6.403 19.181 1.00 0.08 H HETATM 1416 H60 N A 7 -17.506 -4.803 21.472 1.00 0.19 H HETATM 1417 CB N A 7 -20.524 -3.267 22.188 1.00 -0.01 C HETATM 1418 CG1 N A 7 -21.842 -3.449 21.444 1.00 -0.06 C HETATM 1419 H54 N A 7 -22.652 -3.615 22.169 1.00 0.02 H HETATM 1420 H55 N A 7 -21.767 -4.317 20.772 1.00 0.02 H HETATM 1421 H56 N A 7 -22.058 -2.546 20.854 1.00 0.02 H HETATM 1422 CG2 N A 7 -20.269 -4.469 23.104 1.00 -0.06 C HETATM 1423 H57 N A 7 -19.317 -4.329 23.636 1.00 0.02 H HETATM 1424 H58 N A 7 -20.220 -5.387 22.500 1.00 0.02 H HETATM 1425 H59 N A 7 -21.088 -4.554 23.834 1.00 0.02 H HETATM 1426 H53 N A 7 -20.631 -2.375 22.823 1.00 0.03 H HETATM 1427 H52 N A 7 -18.421 -2.916 21.914 1.00 0.08 H HETATM 1428 H51 N A 7 -20.370 -1.502 20.207 1.00 0.19 H HETATM 1429 CB N A 7 -18.640 -0.280 17.843 1.00 -0.02 C HETATM 1430 H48 N A 7 -19.410 -1.044 17.660 1.00 0.03 H HETATM 1431 H49 N A 7 -17.649 -0.697 17.612 1.00 0.03 H HETATM 1432 H50 N A 7 -18.830 0.593 17.201 1.00 0.03 H HETATM 1433 H47 N A 7 -19.681 0.546 19.518 1.00 0.08 H HETATM 1434 H46 N A 7 -16.753 0.875 19.865 1.00 0.19 H HETATM 1435 CB N A 7 -17.181 3.493 21.600 1.00 -0.02 C HETATM 1436 H43 N A 7 -17.194 2.490 22.051 1.00 0.03 H HETATM 1437 H44 N A 7 -18.154 3.980 21.763 1.00 0.03 H HETATM 1438 H45 N A 7 -16.387 4.095 22.067 1.00 0.03 H HETATM 1439 H42 N A 7 -15.922 2.924 19.949 1.00 0.08 H HETATM 1440 H41 N A 7 -17.265 5.484 20.019 1.00 0.19 H HETATM 1441 CB N A 7 -17.820 6.255 16.788 1.00 -0.01 C HETATM 1442 CG N A 7 -19.050 6.119 17.540 1.00 -0.04 C HETATM 1443 CD N A 7 -20.223 6.251 16.660 1.00 -0.01 C HETATM 1444 CE N A 7 -21.510 5.976 17.425 1.00 -0.04 C HETATM 1445 NZ N A 7 -22.117 7.196 17.881 1.00 0.22 N HETATM 1446 H38 N A 7 -22.965 6.982 18.383 1.00 0.20 H HETATM 1447 H39 N A 7 -22.334 7.780 17.089 1.00 0.20 H HETATM 1448 H40 N A 7 -21.479 7.681 18.492 1.00 0.20 H HETATM 1449 H36 N A 7 -21.282 5.343 18.295 1.00 0.08 H HETATM 1450 H37 N A 7 -22.215 5.451 16.764 1.00 0.08 H HETATM 1451 H34 N A 7 -20.135 5.532 15.833 1.00 0.03 H HETATM 1452 H35 N A 7 -20.256 7.273 16.255 1.00 0.03 H HETATM 1453 H32 N A 7 -19.089 6.902 18.311 1.00 0.03 H HETATM 1454 H33 N A 7 -19.070 5.130 18.021 1.00 0.03 H HETATM 1455 H30 N A 7 -17.735 5.404 16.097 1.00 0.03 H HETATM 1456 H31 N A 7 -17.862 7.192 16.213 1.00 0.03 H HETATM 1457 H29 N A 7 -16.745 7.001 18.500 1.00 0.08 H HETATM 1458 H28 N A 7 -14.947 6.025 16.375 1.00 0.19 H HETATM 1459 CB N A 7 -12.710 9.052 16.304 1.00 -0.01 C HETATM 1460 CG N A 7 -11.804 9.530 15.207 1.00 -0.02 C HETATM 1461 CD N A 7 -10.497 10.065 15.743 1.00 0.06 C HETATM 1462 NE N A 7 -9.758 10.859 14.744 1.00 -0.27 N HETATM 1463 CZ N A 7 -8.954 10.347 13.826 1.00 0.29 C HETATM 1464 NH1 N A 7 -8.689 9.063 13.841 1.00 -0.28 N HETATM 1465 H24 N A 7 -8.064 8.658 13.130 1.00 0.26 H HETATM 1466 H25 N A 7 -9.106 8.460 14.564 1.00 0.26 H HETATM 1467 NH2 N A 7 -8.351 11.153 12.935 1.00 -0.28 N HETATM 1468 H26 N A 7 -8.562 12.161 12.927 1.00 0.26 H HETATM 1469 H27 N A 7 -7.678 10.762 12.260 1.00 0.26 H HETATM 1470 H23 N A 7 -9.876 11.882 14.762 1.00 0.26 H HETATM 1471 H21 N A 7 -9.869 9.216 16.053 1.00 0.07 H HETATM 1472 H22 N A 7 -10.708 10.703 16.614 1.00 0.07 H HETATM 1473 H19 N A 7 -12.313 10.330 14.650 1.00 0.03 H HETATM 1474 H20 N A 7 -11.592 8.689 14.530 1.00 0.03 H HETATM 1475 H17 N A 7 -12.135 8.389 16.967 1.00 0.03 H HETATM 1476 H18 N A 7 -13.060 9.926 16.873 1.00 0.03 H HETATM 1477 H16 N A 7 -13.620 7.342 15.295 1.00 0.08 H HETATM 1478 H15 N A 7 -14.729 10.084 14.952 1.00 0.19 H HETATM 1479 CB N A 7 -17.429 9.074 12.527 1.00 0.04 C HETATM 1480 CG N A 7 -18.359 9.255 13.752 1.00 0.04 C HETATM 1481 OD1 N A 7 -17.945 9.947 14.713 1.00 -0.57 O HETATM 1482 OD2 N A 7 -19.491 8.767 13.694 1.00 -0.57 O HETATM 1483 H13 N A 7 -17.443 8.014 12.232 1.00 0.05 H HETATM 1484 H14 N A 7 -17.816 9.689 11.701 1.00 0.05 H HETATM 1485 H12 N A 7 -15.983 10.506 13.202 1.00 0.08 H HETATM 1486 H11 N A 7 -15.516 8.854 10.841 1.00 0.19 H CONECT 166 165 882 CONECT 429 428 933 CONECT 882 166 881 CONECT 933 429 932 CONECT 1146 1140 1147 1148 1149 CONECT 1147 1146 CONECT 1148 1146 CONECT 1149 1146 CONECT 1284 1285 1286 1304 CONECT 1285 1284 CONECT 1286 1284 1287 1296 1303 CONECT 1287 1286 1288 1294 CONECT 1288 1287 1289 1290 CONECT 1289 1288 CONECT 1290 1288 1291 1292 1293 CONECT 1291 1290 CONECT 1292 1290 CONECT 1293 1290 CONECT 1294 1287 1295 1301 1302 CONECT 1295 1294 1296 1299 1300 CONECT 1296 1286 1295 1297 1298 CONECT 1297 1296 CONECT 1298 1296 CONECT 1299 1295 CONECT 1300 1295 CONECT 1301 1294 CONECT 1302 1294 CONECT 1303 1286 CONECT 1304 1284 1305 1486 CONECT 1305 1304 1306 1479 1485 CONECT 1306 1305 1307 1308 CONECT 1307 1306 CONECT 1308 1306 1309 1478 CONECT 1309 1308 1310 1459 1477 CONECT 1310 1309 1311 1312 CONECT 1311 1310 CONECT 1312 1310 1313 1458 CONECT 1313 1312 1314 1441 1457 CONECT 1314 1313 1315 1316 CONECT 1315 1314 CONECT 1316 1314 1317 1440 CONECT 1317 1316 1318 1435 1439 CONECT 1318 1317 1319 1320 CONECT 1319 1318 CONECT 1320 1318 1321 1434 CONECT 1321 1320 1322 1429 1433 CONECT 1322 1321 1323 1324 CONECT 1323 1322 CONECT 1324 1322 1325 1428 CONECT 1325 1324 1326 1417 1427 CONECT 1326 1325 1327 1328 CONECT 1327 1326 CONECT 1328 1326 1329 1416 CONECT 1329 1328 1330 1410 1415 CONECT 1330 1329 1331 1332 CONECT 1331 1330 CONECT 1332 1330 1333 1409 CONECT 1333 1332 1334 1397 1408 CONECT 1334 1333 1335 1336 CONECT 1335 1334 CONECT 1336 1334 1337 1396 CONECT 1337 1336 1338 1377 1395 CONECT 1338 1337 1339 1340 CONECT 1339 1338 CONECT 1340 1338 1341 1376 CONECT 1341 1340 1342 1364 1375 CONECT 1342 1341 1343 1344 CONECT 1343 1342 CONECT 1344 1342 1345 1363 CONECT 1345 1344 1346 1357 1362 CONECT 1346 1345 1347 1355 1356 CONECT 1347 1346 1348 1353 1354 CONECT 1348 1347 1349 1352 CONECT 1349 1348 1350 1351 CONECT 1350 1349 CONECT 1351 1349 CONECT 1352 1348 CONECT 1353 1347 CONECT 1354 1347 CONECT 1355 1346 CONECT 1356 1346 CONECT 1357 1345 1358 1361 CONECT 1358 1357 1359 1360 CONECT 1359 1358 CONECT 1360 1358 CONECT 1361 1357 CONECT 1362 1345 CONECT 1363 1344 CONECT 1364 1341 1365 1373 1374 CONECT 1365 1364 1366 1371 1372 CONECT 1366 1365 1367 1368 CONECT 1367 1366 CONECT 1368 1366 1369 1370 CONECT 1369 1368 CONECT 1370 1368 CONECT 1371 1365 CONECT 1372 1365 CONECT 1373 1364 CONECT 1374 1364 CONECT 1375 1341 CONECT 1376 1340 CONECT 1377 1337 1378 1393 1394 CONECT 1378 1377 1379 1382 CONECT 1379 1378 1380 1392 CONECT 1380 1379 1381 1391 CONECT 1381 1380 1382 1386 CONECT 1382 1378 1381 1383 CONECT 1383 1382 1384 1390 CONECT 1384 1383 1385 1389 CONECT 1385 1384 1386 1388 CONECT 1386 1381 1385 1387 CONECT 1387 1386 CONECT 1388 1385 CONECT 1389 1384 CONECT 1390 1383 CONECT 1391 1380 CONECT 1392 1379 CONECT 1393 1377 CONECT 1394 1377 CONECT 1395 1337 CONECT 1396 1336 CONECT 1397 1333 1398 1406 1407 CONECT 1398 1397 1399 1402 CONECT 1399 1398 1400 CONECT 1400 1399 1401 1405 CONECT 1401 1400 1402 1404 CONECT 1402 1398 1401 1403 CONECT 1403 1402 CONECT 1404 1401 CONECT 1405 1400 CONECT 1406 1397 CONECT 1407 1397 CONECT 1408 1333 CONECT 1409 1332 CONECT 1410 1329 1411 1413 1414 CONECT 1411 1410 1412 CONECT 1412 1411 CONECT 1413 1410 CONECT 1414 1410 CONECT 1415 1329 CONECT 1416 1328 CONECT 1417 1325 1418 1422 1426 CONECT 1418 1417 1419 1420 1421 CONECT 1419 1418 CONECT 1420 1418 CONECT 1421 1418 CONECT 1422 1417 1423 1424 1425 CONECT 1423 1422 CONECT 1424 1422 CONECT 1425 1422 CONECT 1426 1417 CONECT 1427 1325 CONECT 1428 1324 CONECT 1429 1321 1430 1431 1432 CONECT 1430 1429 CONECT 1431 1429 CONECT 1432 1429 CONECT 1433 1321 CONECT 1434 1320 CONECT 1435 1317 1436 1437 1438 CONECT 1436 1435 CONECT 1437 1435 CONECT 1438 1435 CONECT 1439 1317 CONECT 1440 1316 CONECT 1441 1313 1442 1455 1456 CONECT 1442 1441 1443 1453 1454 CONECT 1443 1442 1444 1451 1452 CONECT 1444 1443 1445 1449 1450 CONECT 1445 1444 1446 1447 1448 CONECT 1446 1445 CONECT 1447 1445 CONECT 1448 1445 CONECT 1449 1444 CONECT 1450 1444 CONECT 1451 1443 CONECT 1452 1443 CONECT 1453 1442 CONECT 1454 1442 CONECT 1455 1441 CONECT 1456 1441 CONECT 1457 1313 CONECT 1458 1312 CONECT 1459 1309 1460 1475 1476 CONECT 1460 1459 1461 1473 1474 CONECT 1461 1460 1462 1471 1472 CONECT 1462 1461 1463 1470 CONECT 1463 1462 1464 1467 CONECT 1464 1463 1465 1466 CONECT 1465 1464 CONECT 1466 1464 CONECT 1467 1463 1468 1469 CONECT 1468 1467 CONECT 1469 1467 CONECT 1470 1462 CONECT 1471 1461 CONECT 1472 1461 CONECT 1473 1460 CONECT 1474 1460 CONECT 1475 1459 CONECT 1476 1459 CONECT 1477 1309 CONECT 1478 1308 CONECT 1479 1305 1480 1483 1484 CONECT 1480 1479 1481 1482 CONECT 1481 1480 CONECT 1482 1480 CONECT 1483 1479 CONECT 1484 1479 CONECT 1485 1305 CONECT 1486 1304 MASTER 0 0 0 0 0 0 0 0 1485 1 211 10 END
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1shc
RCSB PDB
PDBbind
12-mer
1ujj
RCSB PDB
PDBbind
12-mer
1ujk
RCSB PDB
PDBbind
12-mer
1upk
RCSB PDB
PDBbind
12-mer
1w80
RCSB PDB
PDBbind
12-mer
1x8s
RCSB PDB
PDBbind
12-mer
1xb7
RCSB PDB
PDBbind
12-mer
1y98
RCSB PDB
PDBbind
12-mer
2a3i
RCSB PDB
PDBbind
12-mer
2byp
RCSB PDB
PDBbind
12-mer
2ci9
RCSB PDB
PDBbind
12-mer
2fx8
RCSB PDB
PDBbind
12-mer
2g6q
RCSB PDB
PDBbind
12-mer
2iv9
RCSB PDB
PDBbind
12-mer
2jbu
RCSB PDB
PDBbind
12-mer
2kff
RCSB PDB
PDBbind
12-mer
2kfg
RCSB PDB
PDBbind
12-mer
2kfh
RCSB PDB
PDBbind
12-mer
2ltv
RCSB PDB
PDBbind
12-mer
2mow
RCSB PDB
PDBbind
12-mer
2mwp
RCSB PDB
PDBbind
12-mer
2ncz
RCSB PDB
PDBbind
12-mer
2nwn
RCSB PDB
PDBbind
12-mer
2ovq
RCSB PDB
PDBbind
12-mer
2pnx
RCSB PDB
PDBbind
12-mer
2pv2
RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
5ivn
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
BC2-nanobody
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
1(Å)
Affinity (Kd/Ki/IC50)
Kd=1.4nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Sci Rep Vol. 6: pp. 19211-19220
Ligand Properties
Formula
C
6
4
H
1
0
0
N
2
2
O
1
8
Molecular Weight
1465.620
Exact Mass
1464.760
No. of atoms
204
No. of bonds
207
Polar Surface Area
665.33
LOGP Value
-5.56 (
Computed with XLOGP3
)
-2.52 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 57
No. of Nitrogen and Oxygen Atoms: 40
No. of Rings: 4
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCC(=O)N)CCC(=O)N)Cc1c[nH]c2c1cccc2)Cc1nc[nH]c1)CO)C(C)C)C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O)CCC[NH+]=C(N)N
InChI String
InChI=1S/C64H98N22O18/c1-31(2)51(85-54(95)33(4)75-53(94)32(3)76-55(96)40(14-8-9-21-65)78-56(97)41(15-10-22-72-64(69)70)79-60(101)45(26-50(91)92)83-62(103)47-16-11-23-86(47)34(5)88)63(104)84-46(29-87)61(102)82-44(25-36-28-71-30-74-36)59(100)81-43(24-35-27-73-38-13-7-6-12-37(35)38)58(99)80-42(18-20-49(67)90)57(98)77-39(52(68)93)17-19-48(66)89/h6-7,12-13,27-28,30-33,39-47,51,73,87H,8-11,14-26,29,65H2,1-5H3,(H2,66,89)(H2,67,90)(H2,68,93)(H,71,74)(H,75,94)(H,76,96)(H,77,98)(H,78,97)(H,79,101)(H,80,99)(H,81,100)(H,82,102)(H,83,103)(H,84,104)(H,85,95)(H,91,92)(H4,69,70,72)/p+2/t32-,33-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/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):
G9GAG7
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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