Browse entries in the PDBbind-CN Database
HEADER 5Y0G_COMPLEX COMPND 5Y0G_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 136 ARG GLY SER HIS MET CYS ASP ALA PHE VAL GLY THR TRP SEQRES 2 A 136 LYS LEU VAL SER SER GLU ASN PHE ASP ASP TYR MET LYS SEQRES 3 A 136 GLU VAL GLY VAL GLY PHE ALA THR ARG LYS VAL ALA GLY SEQRES 4 A 136 MET ALA LYS PRO ASN MET ILE ILE SER VAL ASN GLY ASP SEQRES 5 A 136 VAL ILE THR ILE LYS SER GLU SER THR PHE LYS ASN THR SEQRES 6 A 136 GLU ILE SER PHE ILE LEU GLY GLN GLU PHE ASP GLU VAL SEQRES 7 A 136 THR ALA ASP ASP ARG LYS VAL LYS SER THR ILE THR LEU SEQRES 8 A 136 ASP GLY GLY VAL LEU VAL HIS VAL GLN LYS TRP ASP GLY SEQRES 9 A 136 LYS SER THR THR ILE LYS ARG LYS ARG GLU ASP ASP LYS SEQRES 10 A 136 LEU VAL VAL GLU CYS VAL MET LYS GLY VAL THR SER THR SEQRES 11 A 136 ARG VAL TYR GLU ARG ALA HET UNN A 237 39 ATOM 1 N ARG A -4 4.295 -25.257 7.021 1.00 41.62 N ATOM 2 CA ARG A -4 5.572 -24.770 6.511 1.00 40.52 C ATOM 3 C ARG A -4 5.967 -23.454 7.159 1.00 40.45 C ATOM 4 O ARG A -4 5.117 -22.648 7.532 1.00 42.14 O ATOM 5 CB ARG A -4 5.506 -24.584 5.001 1.00 38.37 C ATOM 6 CG ARG A -4 5.120 -25.827 4.261 1.00 43.11 C ATOM 7 CD ARG A -4 4.381 -25.458 3.000 1.00 39.21 C ATOM 8 NE ARG A -4 3.998 -26.638 2.244 1.00 40.18 N ATOM 9 CZ ARG A -4 2.927 -26.707 1.457 1.00 35.88 C ATOM 10 NH1 ARG A -4 2.124 -25.653 1.335 1.00 33.71 N ATOM 11 NH2 ARG A -4 2.670 -27.828 0.789 1.00 35.99 N ATOM 12 HE ARG A -4 4.599 -27.483 2.323 1.00 0.00 H ATOM 13 HH12 ARG A -4 1.287 -25.706 0.720 1.00 0.00 H ATOM 14 HH11 ARG A -4 2.334 -24.777 1.854 1.00 0.00 H ATOM 15 HH22 ARG A -4 1.834 -27.886 0.173 1.00 0.00 H ATOM 16 HH21 ARG A -4 3.305 -28.646 0.883 1.00 0.00 H ATOM 17 HN3 ARG A -4 3.553 -24.556 6.821 1.00 0.00 H ATOM 18 HN2 ARG A -4 4.367 -25.404 8.048 1.00 0.00 H ATOM 19 HN1 ARG A -4 4.058 -26.157 6.556 1.00 0.00 H ATOM 20 N GLY A -3 7.274 -23.229 7.272 1.00 39.91 N ATOM 21 CA GLY A -3 7.782 -22.006 7.848 1.00 35.56 C ATOM 22 C GLY A -3 7.985 -20.935 6.796 1.00 30.83 C ATOM 23 O GLY A -3 7.636 -21.098 5.629 1.00 35.32 O ATOM 24 H GLY A -3 7.945 -23.950 6.938 1.00 0.00 H ATOM 25 N SER A -2 8.548 -19.819 7.251 1.00 31.85 N ATOM 26 CA SER A -2 8.872 -18.710 6.368 1.00 27.01 C ATOM 27 C SER A -2 9.923 -19.120 5.354 1.00 28.22 C ATOM 28 O SER A -2 10.743 -20.016 5.578 1.00 30.06 O ATOM 29 CB SER A -2 9.375 -17.514 7.178 1.00 29.70 C ATOM 30 OG SER A -2 8.418 -17.133 8.151 1.00 33.00 O ATOM 31 HG SER A -2 8.761 -16.359 8.664 1.00 0.00 H ATOM 32 H SER A -2 8.762 -19.737 8.265 1.00 0.00 H ATOM 33 N HIS A -1 9.881 -18.453 4.213 1.00 24.23 N ATOM 34 CA HIS A -1 10.919 -18.577 3.212 1.00 23.87 C ATOM 35 C HIS A -1 11.416 -17.183 2.860 1.00 23.44 C ATOM 36 O HIS A -1 10.679 -16.208 2.997 1.00 23.57 O ATOM 37 CB HIS A -1 10.401 -19.314 1.980 1.00 26.70 C ATOM 38 CG HIS A -1 10.105 -20.760 2.241 1.00 31.83 C ATOM 39 ND1 HIS A -1 10.601 -21.776 1.454 1.00 39.45 N ATOM 40 CD2 HIS A -1 9.367 -21.359 3.205 1.00 35.86 C ATOM 41 CE1 HIS A -1 10.188 -22.940 1.927 1.00 38.66 C ATOM 42 NE2 HIS A -1 9.435 -22.713 2.987 1.00 38.73 N ATOM 43 H HIS A -1 9.077 -17.819 4.029 1.00 0.00 H ATOM 44 N MET A 0 12.695 -17.097 2.467 1.00 21.77 N ATOM 45 CA MET A 0 13.246 -15.816 2.031 1.00 21.82 C ATOM 46 C MET A 0 12.359 -15.178 0.968 1.00 21.44 C ATOM 47 O MET A 0 12.155 -13.959 0.977 1.00 20.12 O ATOM 48 CB MET A 0 14.688 -16.012 1.511 1.00 23.91 C ATOM 49 CG MET A 0 15.340 -14.739 1.010 1.00 21.68 C ATOM 50 SD MET A 0 14.943 -14.494 -0.759 1.00 27.18 S ATOM 51 CE MET A 0 14.886 -12.703 -0.900 1.00 27.08 C ATOM 52 H MET A 0 13.297 -17.945 2.473 1.00 0.00 H ATOM 53 N CYS A 1 11.793 -15.990 0.067 1.00 21.87 N ATOM 54 CA CYS A 1 11.034 -15.354 -1.015 1.00 22.47 C ATOM 55 C CYS A 1 9.672 -14.834 -0.573 1.00 21.95 C ATOM 56 O CYS A 1 8.994 -14.163 -1.372 1.00 20.38 O ATOM 57 CB CYS A 1 10.866 -16.313 -2.180 1.00 24.31 C ATOM 58 SG CYS A 1 10.110 -17.843 -1.692 1.00 26.83 S ATOM 59 H CYS A 1 11.887 -17.024 0.131 1.00 0.00 H ATOM 60 N ASP A 2 9.287 -15.023 0.687 1.00 18.57 N ATOM 61 CA ASP A 2 8.130 -14.324 1.189 1.00 19.98 C ATOM 62 C ASP A 2 8.327 -12.819 1.154 1.00 19.87 C ATOM 63 O ASP A 2 7.339 -12.100 1.256 1.00 19.87 O ATOM 64 CB ASP A 2 7.825 -14.783 2.631 1.00 21.44 C ATOM 65 CG ASP A 2 7.437 -16.238 2.704 1.00 24.91 C ATOM 66 OD1 ASP A 2 7.021 -16.808 1.684 1.00 27.90 O ATOM 67 OD2 ASP A 2 7.549 -16.818 3.805 1.00 28.75 O ATOM 68 H ASP A 2 9.817 -15.670 1.305 1.00 0.00 H ATOM 69 N ALA A 3 9.563 -12.320 0.947 1.00 18.99 N ATOM 70 CA ALA A 3 9.778 -10.884 0.813 1.00 19.45 C ATOM 71 C ALA A 3 9.064 -10.312 -0.400 1.00 17.30 C ATOM 72 O ALA A 3 8.804 -9.108 -0.427 1.00 17.90 O ATOM 73 CB ALA A 3 11.263 -10.550 0.665 1.00 22.42 C ATOM 74 H ALA A 3 10.374 -12.968 0.882 1.00 0.00 H ATOM 75 N PHE A 4 8.759 -11.136 -1.395 1.00 16.00 N ATOM 76 CA PHE A 4 8.046 -10.678 -2.574 1.00 14.47 C ATOM 77 C PHE A 4 6.538 -10.677 -2.400 1.00 16.06 C ATOM 78 O PHE A 4 5.835 -10.125 -3.254 1.00 14.77 O ATOM 79 CB PHE A 4 8.393 -11.568 -3.786 1.00 15.54 C ATOM 80 CG PHE A 4 9.795 -11.443 -4.230 1.00 15.19 C ATOM 81 CD1 PHE A 4 10.184 -10.416 -5.089 1.00 16.78 C ATOM 82 CD2 PHE A 4 10.759 -12.332 -3.782 1.00 17.86 C ATOM 83 CE1 PHE A 4 11.524 -10.279 -5.512 1.00 17.56 C ATOM 84 CE2 PHE A 4 12.109 -12.194 -4.187 1.00 18.87 C ATOM 85 CZ PHE A 4 12.480 -11.202 -5.059 1.00 17.01 C ATOM 86 H PHE A 4 9.038 -12.136 -1.328 1.00 0.00 H ATOM 87 N VAL A 5 6.021 -11.331 -1.374 1.00 16.28 N ATOM 88 CA VAL A 5 4.601 -11.606 -1.298 1.00 15.25 C ATOM 89 C VAL A 5 3.864 -10.322 -1.001 1.00 16.46 C ATOM 90 O VAL A 5 4.285 -9.553 -0.130 1.00 18.39 O ATOM 91 CB VAL A 5 4.327 -12.649 -0.205 1.00 15.97 C ATOM 92 CG1 VAL A 5 2.842 -12.708 0.136 1.00 17.14 C ATOM 93 CG2 VAL A 5 4.870 -14.008 -0.719 1.00 17.14 C ATOM 94 H VAL A 5 6.645 -11.654 -0.607 1.00 0.00 H ATOM 95 N GLY A 6 2.750 -10.102 -1.687 1.00 15.88 N ATOM 96 CA GLY A 6 1.930 -8.949 -1.393 1.00 14.99 C ATOM 97 C GLY A 6 1.295 -8.391 -2.646 1.00 14.77 C ATOM 98 O GLY A 6 1.266 -9.039 -3.695 1.00 16.41 O ATOM 99 H GLY A 6 2.466 -10.762 -2.439 1.00 0.00 H ATOM 100 N THR A 7 0.765 -7.185 -2.503 1.00 15.04 N ATOM 101 CA THR A 7 0.049 -6.479 -3.562 1.00 15.25 C ATOM 102 C THR A 7 0.853 -5.235 -3.888 1.00 16.35 C ATOM 103 O THR A 7 1.143 -4.431 -3.002 1.00 16.66 O ATOM 104 CB THR A 7 -1.358 -6.084 -3.122 1.00 19.56 C ATOM 105 OG1 THR A 7 -2.029 -7.218 -2.569 1.00 22.57 O ATOM 106 CG2 THR A 7 -2.169 -5.552 -4.294 1.00 21.22 C ATOM 107 HG1 THR A 7 -1.522 -7.551 -1.786 1.00 0.00 H ATOM 108 H THR A 7 0.865 -6.713 -1.582 1.00 0.00 H ATOM 109 N TRP A 8 1.199 -5.079 -5.152 1.00 14.24 N ATOM 110 CA TRP A 8 2.153 -4.078 -5.609 1.00 14.62 C ATOM 111 C TRP A 8 1.525 -3.246 -6.714 1.00 14.85 C ATOM 112 O TRP A 8 0.723 -3.758 -7.506 1.00 17.53 O ATOM 113 CB TRP A 8 3.438 -4.752 -6.144 1.00 14.60 C ATOM 114 CG TRP A 8 4.139 -5.628 -5.155 1.00 13.98 C ATOM 115 CD1 TRP A 8 3.962 -6.978 -4.980 1.00 13.83 C ATOM 116 CD2 TRP A 8 5.140 -5.223 -4.222 1.00 14.28 C ATOM 117 NE1 TRP A 8 4.774 -7.429 -3.939 1.00 14.38 N ATOM 118 CE2 TRP A 8 5.515 -6.370 -3.482 1.00 14.12 C ATOM 119 CE3 TRP A 8 5.739 -3.998 -3.922 1.00 15.73 C ATOM 120 CZ2 TRP A 8 6.468 -6.312 -2.451 1.00 15.24 C ATOM 121 CZ3 TRP A 8 6.699 -3.961 -2.921 1.00 16.20 C ATOM 122 CH2 TRP A 8 7.059 -5.115 -2.216 1.00 16.13 C ATOM 123 HE1 TRP A 8 4.811 -8.402 -3.573 1.00 0.00 H ATOM 124 H TRP A 8 0.767 -5.705 -5.861 1.00 0.00 H ATOM 125 N LYS A 9 1.928 -1.976 -6.803 1.00 14.16 N ATOM 126 CA LYS A 9 1.425 -1.126 -7.887 1.00 15.24 C ATOM 127 C LYS A 9 2.577 -0.438 -8.619 1.00 13.11 C ATOM 128 O LYS A 9 3.541 0.021 -8.011 1.00 15.19 O ATOM 129 CB LYS A 9 0.428 -0.127 -7.327 1.00 17.92 C ATOM 130 CG LYS A 9 1.018 0.792 -6.348 1.00 21.31 C ATOM 131 CD LYS A 9 0.085 1.960 -6.028 1.00 25.84 C ATOM 132 CE LYS A 9 0.720 2.856 -4.962 1.00 29.55 C ATOM 133 NZ LYS A 9 0.731 2.164 -3.650 1.00 33.64 N ATOM 134 HZ1 LYS A 9 -0.245 1.940 -3.369 1.00 0.00 H ATOM 135 HZ2 LYS A 9 1.281 1.285 -3.728 1.00 0.00 H ATOM 136 HZ3 LYS A 9 1.165 2.784 -2.936 1.00 0.00 H ATOM 137 H LYS A 9 2.597 -1.591 -6.106 1.00 0.00 H ATOM 138 N LEU A 10 2.487 -0.376 -9.947 1.00 13.39 N ATOM 139 CA LEU A 10 3.545 0.237 -10.745 1.00 12.22 C ATOM 140 C LEU A 10 3.594 1.734 -10.475 1.00 15.08 C ATOM 141 O LEU A 10 2.578 2.424 -10.627 1.00 18.90 O ATOM 142 CB LEU A 10 3.288 0.019 -12.234 1.00 14.79 C ATOM 143 CG LEU A 10 4.393 0.578 -13.115 1.00 14.08 C ATOM 144 CD1 LEU A 10 5.589 -0.338 -13.030 1.00 15.28 C ATOM 145 CD2 LEU A 10 3.899 0.647 -14.587 1.00 19.46 C ATOM 146 H LEU A 10 1.650 -0.770 -10.422 1.00 0.00 H ATOM 147 N VAL A 11 4.773 2.242 -10.141 1.00 14.63 N ATOM 148 CA VAL A 11 4.937 3.677 -9.970 1.00 15.60 C ATOM 149 C VAL A 11 5.932 4.301 -10.930 1.00 20.85 C ATOM 150 O VAL A 11 5.926 5.541 -11.068 1.00 20.82 O ATOM 151 CB VAL A 11 5.311 4.025 -8.519 1.00 18.59 C ATOM 152 CG1 VAL A 11 4.214 3.571 -7.577 1.00 21.56 C ATOM 153 CG2 VAL A 11 6.669 3.422 -8.122 1.00 19.43 C ATOM 154 H VAL A 11 5.586 1.609 -10.000 1.00 0.00 H ATOM 155 N SER A 12 6.789 3.528 -11.596 1.00 16.79 N ATOM 156 CA SER A 12 7.651 4.153 -12.591 1.00 17.01 C ATOM 157 C SER A 12 8.059 3.128 -13.617 1.00 17.02 C ATOM 158 O SER A 12 8.088 1.927 -13.346 1.00 16.41 O ATOM 159 CB SER A 12 8.900 4.790 -11.978 1.00 20.49 C ATOM 160 OG SER A 12 9.725 3.837 -11.398 1.00 24.42 O ATOM 161 HG SER A 12 10.011 3.186 -12.087 1.00 0.00 H ATOM 162 H SER A 12 6.841 2.506 -11.411 1.00 0.00 H ATOM 163 N SER A 13 8.336 3.611 -14.820 1.00 17.94 N ATOM 164 CA SER A 13 8.725 2.724 -15.901 1.00 15.65 C ATOM 165 C SER A 13 9.687 3.511 -16.764 1.00 18.48 C ATOM 166 O SER A 13 9.348 4.630 -17.190 1.00 21.02 O ATOM 167 CB SER A 13 7.523 2.269 -16.741 1.00 16.80 C ATOM 168 OG SER A 13 7.879 1.436 -17.838 1.00 17.37 O ATOM 169 HG SER A 13 8.492 1.929 -18.440 1.00 0.00 H ATOM 170 H SER A 13 8.274 4.635 -14.991 1.00 0.00 H ATOM 171 N GLU A 14 10.850 2.940 -17.032 1.00 15.39 N ATOM 172 CA GLU A 14 11.893 3.618 -17.788 1.00 16.91 C ATOM 173 C GLU A 14 12.353 2.732 -18.927 1.00 17.01 C ATOM 174 O GLU A 14 12.719 1.558 -18.721 1.00 17.08 O ATOM 175 CB GLU A 14 13.081 3.964 -16.913 1.00 19.77 C ATOM 176 CG GLU A 14 12.773 5.068 -15.905 1.00 26.79 C ATOM 177 CD GLU A 14 12.577 6.414 -16.605 1.00 32.41 C ATOM 178 OE1 GLU A 14 11.570 7.117 -16.292 1.00 39.12 O ATOM 179 OE2 GLU A 14 13.393 6.740 -17.509 1.00 34.46 O ATOM 180 H GLU A 14 11.025 1.973 -16.691 1.00 0.00 H ATOM 181 N ASN A 15 12.327 3.292 -20.129 1.00 14.98 N ATOM 182 CA ASN A 15 12.849 2.663 -21.343 1.00 16.88 C ATOM 183 C ASN A 15 12.052 1.440 -21.767 1.00 15.02 C ATOM 184 O ASN A 15 12.530 0.664 -22.577 1.00 15.21 O ATOM 185 CB ASN A 15 14.338 2.304 -21.194 1.00 16.64 C ATOM 186 CG ASN A 15 15.097 2.370 -22.533 1.00 17.76 C ATOM 187 OD1 ASN A 15 14.853 3.266 -23.354 1.00 20.24 O ATOM 188 ND2 ASN A 15 15.985 1.416 -22.778 1.00 16.60 N ATOM 189 HD22 ASN A 15 16.166 0.679 -22.067 1.00 0.00 H ATOM 190 HD21 ASN A 15 16.501 1.405 -23.681 1.00 0.00 H ATOM 191 H ASN A 15 11.908 4.240 -20.214 1.00 0.00 H ATOM 192 N PHE A 16 10.808 1.287 -21.295 1.00 14.87 N ATOM 193 CA PHE A 16 10.065 0.078 -21.623 1.00 13.46 C ATOM 194 C PHE A 16 9.663 0.056 -23.082 1.00 16.01 C ATOM 195 O PHE A 16 9.568 -1.019 -23.677 1.00 14.60 O ATOM 196 CB PHE A 16 8.831 -0.048 -20.726 1.00 14.73 C ATOM 197 CG PHE A 16 8.205 -1.449 -20.691 1.00 15.56 C ATOM 198 CD1 PHE A 16 8.981 -2.580 -20.432 1.00 15.87 C ATOM 199 CD2 PHE A 16 6.833 -1.602 -20.929 1.00 16.55 C ATOM 200 CE1 PHE A 16 8.388 -3.854 -20.345 1.00 16.74 C ATOM 201 CE2 PHE A 16 6.240 -2.871 -20.855 1.00 16.18 C ATOM 202 CZ PHE A 16 7.025 -3.982 -20.576 1.00 16.85 C ATOM 203 H PHE A 16 10.377 2.024 -20.701 1.00 0.00 H ATOM 204 N ASP A 17 9.457 1.217 -23.698 1.00 17.04 N ATOM 205 CA ASP A 17 9.094 1.176 -25.104 1.00 16.63 C ATOM 206 C ASP A 17 10.223 0.608 -25.960 1.00 17.17 C ATOM 207 O ASP A 17 9.972 -0.214 -26.845 1.00 15.68 O ATOM 208 CB ASP A 17 8.710 2.568 -25.574 1.00 19.22 C ATOM 209 CG ASP A 17 8.153 2.561 -26.981 1.00 24.37 C ATOM 210 OD1 ASP A 17 7.160 1.854 -27.242 1.00 26.21 O ATOM 211 OD2 ASP A 17 8.724 3.276 -27.842 1.00 31.31 O ATOM 212 H ASP A 17 9.552 2.120 -23.192 1.00 0.00 H ATOM 213 N ASP A 18 11.460 1.044 -25.725 1.00 18.30 N ATOM 214 CA ASP A 18 12.605 0.529 -26.471 1.00 17.97 C ATOM 215 C ASP A 18 12.833 -0.955 -26.170 1.00 16.28 C ATOM 216 O ASP A 18 13.174 -1.734 -27.073 1.00 17.27 O ATOM 217 CB ASP A 18 13.860 1.339 -26.145 1.00 20.75 C ATOM 218 CG ASP A 18 13.972 2.648 -26.954 1.00 28.61 C ATOM 219 OD1 ASP A 18 13.262 3.624 -26.662 1.00 36.07 O ATOM 220 OD2 ASP A 18 14.844 2.692 -27.848 1.00 35.29 O ATOM 221 H ASP A 18 11.614 1.767 -24.994 1.00 0.00 H ATOM 222 N TYR A 19 12.647 -1.373 -24.907 1.00 14.42 N ATOM 223 CA TYR A 19 12.683 -2.808 -24.613 1.00 13.12 C ATOM 224 C TYR A 19 11.660 -3.559 -25.441 1.00 14.03 C ATOM 225 O TYR A 19 11.983 -4.593 -26.040 1.00 13.81 O ATOM 226 CB TYR A 19 12.427 -3.036 -23.107 1.00 12.96 C ATOM 227 CG TYR A 19 12.266 -4.499 -22.755 1.00 13.27 C ATOM 228 CD1 TYR A 19 13.370 -5.320 -22.622 1.00 14.06 C ATOM 229 CD2 TYR A 19 10.992 -5.050 -22.580 1.00 12.70 C ATOM 230 CE1 TYR A 19 13.218 -6.664 -22.295 1.00 14.15 C ATOM 231 CE2 TYR A 19 10.821 -6.382 -22.294 1.00 13.17 C ATOM 232 CZ TYR A 19 11.929 -7.194 -22.147 1.00 14.32 C ATOM 233 OH TYR A 19 11.729 -8.505 -21.791 1.00 15.24 O ATOM 234 HH TYR A 19 12.603 -8.964 -21.723 1.00 0.00 H ATOM 235 H TYR A 19 12.479 -0.685 -24.145 1.00 0.00 H ATOM 236 N MET A 20 10.403 -3.087 -25.451 1.00 14.69 N ATOM 237 CA MET A 20 9.358 -3.773 -26.215 1.00 15.48 C ATOM 238 C MET A 20 9.682 -3.818 -27.700 1.00 15.24 C ATOM 239 O MET A 20 9.384 -4.817 -28.362 1.00 15.30 O ATOM 240 CB MET A 20 7.997 -3.103 -26.004 1.00 13.60 C ATOM 241 CG MET A 20 7.450 -3.358 -24.557 1.00 16.11 C ATOM 242 SD MET A 20 5.749 -2.816 -24.478 1.00 14.74 S ATOM 243 CE MET A 20 5.916 -1.072 -24.497 1.00 17.12 C ATOM 244 H MET A 20 10.170 -2.228 -24.913 1.00 0.00 H ATOM 245 N LYS A 21 10.305 -2.765 -28.238 1.00 15.14 N ATOM 246 CA LYS A 21 10.697 -2.802 -29.652 1.00 16.29 C ATOM 247 C LYS A 21 11.709 -3.909 -29.888 1.00 17.13 C ATOM 248 O LYS A 21 11.616 -4.648 -30.870 1.00 19.47 O ATOM 249 CB LYS A 21 11.290 -1.470 -30.081 1.00 19.78 C ATOM 250 CG LYS A 21 10.285 -0.364 -30.237 1.00 19.94 C ATOM 251 CD LYS A 21 11.026 0.882 -30.630 1.00 21.87 C ATOM 252 CE LYS A 21 10.171 2.059 -30.377 1.00 26.18 C ATOM 253 NZ LYS A 21 11.052 3.268 -30.438 1.00 33.78 N ATOM 254 HZ1 LYS A 21 11.794 3.192 -29.713 1.00 0.00 H ATOM 255 HZ2 LYS A 21 11.490 3.329 -31.379 1.00 0.00 H ATOM 256 HZ3 LYS A 21 10.482 4.120 -30.264 1.00 0.00 H ATOM 257 H LYS A 21 10.510 -1.926 -27.659 1.00 0.00 H ATOM 258 N GLU A 22 12.660 -4.066 -28.966 1.00 17.05 N ATOM 259 CA GLU A 22 13.669 -5.097 -29.132 1.00 18.58 C ATOM 260 C GLU A 22 13.042 -6.478 -29.039 1.00 16.78 C ATOM 261 O GLU A 22 13.466 -7.418 -29.745 1.00 20.02 O ATOM 262 CB GLU A 22 14.764 -4.890 -28.081 1.00 21.35 C ATOM 263 CG GLU A 22 16.140 -5.349 -28.483 1.00 26.62 C ATOM 264 CD GLU A 22 16.627 -4.647 -29.743 1.00 28.41 C ATOM 265 OE1 GLU A 22 16.303 -3.464 -29.930 1.00 31.75 O ATOM 266 OE2 GLU A 22 17.280 -5.310 -30.562 1.00 35.44 O ATOM 267 H GLU A 22 12.679 -3.450 -28.128 1.00 0.00 H ATOM 268 N VAL A 23 12.032 -6.626 -28.169 1.00 16.93 N ATOM 269 CA VAL A 23 11.343 -7.903 -28.033 1.00 15.89 C ATOM 270 C VAL A 23 10.557 -8.231 -29.283 1.00 18.04 C ATOM 271 O VAL A 23 10.340 -9.406 -29.581 1.00 19.51 O ATOM 272 CB VAL A 23 10.442 -7.885 -26.770 1.00 16.72 C ATOM 273 CG1 VAL A 23 9.403 -9.006 -26.762 1.00 15.69 C ATOM 274 CG2 VAL A 23 11.304 -7.962 -25.539 1.00 17.13 C ATOM 275 H VAL A 23 11.737 -5.819 -27.584 1.00 0.00 H ATOM 276 N GLY A 24 10.172 -7.217 -30.054 1.00 16.59 N ATOM 277 CA GLY A 24 9.404 -7.395 -31.269 1.00 17.79 C ATOM 278 C GLY A 24 7.942 -7.046 -31.169 1.00 17.27 C ATOM 279 O GLY A 24 7.158 -7.455 -32.036 1.00 18.33 O ATOM 280 H GLY A 24 10.435 -6.251 -29.771 1.00 0.00 H ATOM 281 N VAL A 25 7.535 -6.339 -30.114 1.00 16.34 N ATOM 282 CA VAL A 25 6.137 -5.990 -29.910 1.00 16.10 C ATOM 283 C VAL A 25 5.695 -4.984 -30.960 1.00 16.11 C ATOM 284 O VAL A 25 6.384 -3.989 -31.203 1.00 17.39 O ATOM 285 CB VAL A 25 5.968 -5.412 -28.503 1.00 15.98 C ATOM 286 CG1 VAL A 25 4.523 -5.166 -28.198 1.00 18.04 C ATOM 287 CG2 VAL A 25 6.553 -6.402 -27.471 1.00 16.81 C ATOM 288 H VAL A 25 8.239 -6.027 -29.415 1.00 0.00 H ATOM 289 N GLY A 26 4.534 -5.235 -31.549 1.00 18.16 N ATOM 290 CA GLY A 26 4.026 -4.342 -32.579 1.00 19.87 C ATOM 291 C GLY A 26 3.601 -2.990 -32.044 1.00 19.93 C ATOM 292 O GLY A 26 3.422 -2.781 -30.850 1.00 18.22 O ATOM 293 H GLY A 26 3.984 -6.074 -31.274 1.00 0.00 H ATOM 294 N PHE A 27 3.421 -2.052 -32.969 1.00 19.32 N ATOM 295 CA PHE A 27 3.126 -0.671 -32.611 1.00 18.35 C ATOM 296 C PHE A 27 1.940 -0.560 -31.654 1.00 18.93 C ATOM 297 O PHE A 27 2.044 0.074 -30.587 1.00 17.93 O ATOM 298 CB PHE A 27 2.851 0.126 -33.895 1.00 19.62 C ATOM 299 CG PHE A 27 2.458 1.528 -33.631 1.00 18.65 C ATOM 300 CD1 PHE A 27 3.423 2.496 -33.497 1.00 20.38 C ATOM 301 CD2 PHE A 27 1.125 1.872 -33.467 1.00 21.24 C ATOM 302 CE1 PHE A 27 3.063 3.828 -33.186 1.00 21.83 C ATOM 303 CE2 PHE A 27 0.758 3.178 -33.160 1.00 19.99 C ATOM 304 CZ PHE A 27 1.727 4.145 -33.027 1.00 19.31 C ATOM 305 H PHE A 27 3.493 -2.311 -33.974 1.00 0.00 H ATOM 306 N ALA A 28 0.789 -1.120 -32.032 1.00 18.62 N ATOM 307 CA ALA A 28 -0.418 -0.857 -31.251 1.00 18.47 C ATOM 308 C ALA A 28 -0.312 -1.479 -29.863 1.00 18.87 C ATOM 309 O ALA A 28 -0.699 -0.866 -28.855 1.00 17.42 O ATOM 310 CB ALA A 28 -1.657 -1.386 -31.974 1.00 20.65 C ATOM 311 H ALA A 28 0.752 -1.735 -32.870 1.00 0.00 H ATOM 312 N THR A 29 0.192 -2.707 -29.798 1.00 17.97 N ATOM 313 CA THR A 29 0.394 -3.302 -28.484 1.00 17.10 C ATOM 314 C THR A 29 1.397 -2.512 -27.650 1.00 18.51 C ATOM 315 O THR A 29 1.204 -2.343 -26.436 1.00 16.84 O ATOM 316 CB THR A 29 0.845 -4.747 -28.660 1.00 17.85 C ATOM 317 OG1 THR A 29 -0.182 -5.450 -29.357 1.00 20.94 O ATOM 318 CG2 THR A 29 1.073 -5.403 -27.296 1.00 18.82 C ATOM 319 HG1 THR A 29 -0.328 -5.028 -30.240 1.00 0.00 H ATOM 320 H THR A 29 0.436 -3.230 -30.663 1.00 0.00 H ATOM 321 N ARG A 30 2.493 -2.035 -28.245 1.00 16.86 N ATOM 322 CA ARG A 30 3.429 -1.228 -27.463 1.00 15.04 C ATOM 323 C ARG A 30 2.745 -0.008 -26.888 1.00 16.86 C ATOM 324 O ARG A 30 2.965 0.350 -25.726 1.00 17.46 O ATOM 325 CB ARG A 30 4.630 -0.722 -28.277 1.00 18.15 C ATOM 326 CG ARG A 30 5.720 -1.724 -28.506 1.00 18.94 C ATOM 327 CD ARG A 30 7.041 -1.029 -28.835 1.00 18.02 C ATOM 328 NE ARG A 30 6.925 0.104 -29.757 1.00 18.69 N ATOM 329 CZ ARG A 30 6.781 -0.002 -31.074 1.00 20.08 C ATOM 330 NH1 ARG A 30 6.664 -1.190 -31.687 1.00 20.11 N ATOM 331 NH2 ARG A 30 6.733 1.120 -31.784 1.00 20.29 N ATOM 332 HE ARG A 30 6.958 1.061 -29.351 1.00 0.00 H ATOM 333 HH12 ARG A 30 6.553 -1.233 -32.720 1.00 0.00 H ATOM 334 HH11 ARG A 30 6.685 -2.067 -31.129 1.00 0.00 H ATOM 335 HH22 ARG A 30 6.621 1.077 -32.817 1.00 0.00 H ATOM 336 HH21 ARG A 30 6.807 2.041 -31.307 1.00 0.00 H ATOM 337 H ARG A 30 2.678 -2.234 -29.249 1.00 0.00 H ATOM 338 N LYS A 31 1.897 0.638 -27.677 1.00 16.55 N ATOM 339 CA LYS A 31 1.300 1.880 -27.196 1.00 17.70 C ATOM 340 C LYS A 31 0.321 1.607 -26.057 1.00 17.53 C ATOM 341 O LYS A 31 0.337 2.305 -25.033 1.00 18.45 O ATOM 342 CB LYS A 31 0.594 2.613 -28.341 1.00 17.62 C ATOM 343 CG LYS A 31 1.570 3.139 -29.425 1.00 20.63 C ATOM 344 CD LYS A 31 2.497 4.106 -28.759 1.00 23.48 C ATOM 345 CE LYS A 31 3.811 4.287 -29.474 1.00 30.60 C ATOM 346 NZ LYS A 31 4.367 5.597 -28.995 1.00 38.37 N ATOM 347 HZ1 LYS A 31 3.702 6.361 -29.231 1.00 0.00 H ATOM 348 HZ2 LYS A 31 4.502 5.559 -27.964 1.00 0.00 H ATOM 349 HZ3 LYS A 31 5.281 5.775 -29.459 1.00 0.00 H ATOM 350 H LYS A 31 1.662 0.267 -28.620 1.00 0.00 H ATOM 351 N VAL A 32 -0.527 0.596 -26.208 1.00 15.61 N ATOM 352 CA VAL A 32 -1.509 0.297 -25.173 1.00 17.51 C ATOM 353 C VAL A 32 -0.832 -0.330 -23.956 1.00 17.26 C ATOM 354 O VAL A 32 -1.160 0.003 -22.806 1.00 18.63 O ATOM 355 CB VAL A 32 -2.624 -0.592 -25.766 1.00 19.38 C ATOM 356 CG1 VAL A 32 -3.539 -1.090 -24.688 1.00 23.74 C ATOM 357 CG2 VAL A 32 -3.453 0.252 -26.759 1.00 21.09 C ATOM 358 H VAL A 32 -0.490 0.014 -27.069 1.00 0.00 H ATOM 359 N ALA A 33 0.145 -1.209 -24.175 1.00 17.40 N ATOM 360 CA ALA A 33 0.798 -1.850 -23.025 1.00 15.72 C ATOM 361 C ALA A 33 1.657 -0.871 -22.266 1.00 16.58 C ATOM 362 O ALA A 33 1.738 -0.944 -21.025 1.00 17.11 O ATOM 363 CB ALA A 33 1.638 -3.044 -23.500 1.00 17.93 C ATOM 364 H ALA A 33 0.441 -1.438 -25.145 1.00 0.00 H ATOM 365 N GLY A 34 2.271 0.091 -22.960 1.00 17.22 N ATOM 366 CA GLY A 34 3.078 1.082 -22.275 1.00 17.93 C ATOM 367 C GLY A 34 2.277 2.019 -21.394 1.00 18.03 C ATOM 368 O GLY A 34 2.817 2.562 -20.429 1.00 21.98 O ATOM 369 H GLY A 34 2.170 0.129 -23.994 1.00 0.00 H ATOM 370 N MET A 35 0.987 2.228 -21.706 1.00 17.09 N ATOM 371 CA MET A 35 0.130 3.067 -20.886 1.00 16.53 C ATOM 372 C MET A 35 -0.245 2.420 -19.561 1.00 16.89 C ATOM 373 O MET A 35 -0.548 3.131 -18.612 1.00 18.43 O ATOM 374 CB MET A 35 -1.180 3.395 -21.606 1.00 19.45 C ATOM 375 CG MET A 35 -1.007 4.326 -22.814 1.00 16.57 C ATOM 376 SD MET A 35 -0.555 5.984 -22.316 1.00 18.19 S ATOM 377 CE MET A 35 -1.916 6.476 -21.310 1.00 21.81 C ATOM 378 H MET A 35 0.592 1.778 -22.556 1.00 0.00 H ATOM 379 N ALA A 36 -0.183 1.096 -19.489 1.00 16.48 N ATOM 380 CA ALA A 36 -0.763 0.389 -18.359 1.00 15.56 C ATOM 381 C ALA A 36 0.012 0.639 -17.089 1.00 16.56 C ATOM 382 O ALA A 36 1.240 0.702 -17.094 1.00 17.38 O ATOM 383 CB ALA A 36 -0.789 -1.112 -18.628 1.00 16.73 C ATOM 384 H ALA A 36 0.285 0.560 -20.248 1.00 0.00 H ATOM 385 N LYS A 37 -0.714 0.699 -15.987 1.00 17.45 N ATOM 386 CA LYS A 37 -0.137 0.846 -14.652 1.00 16.00 C ATOM 387 C LYS A 37 -0.635 -0.355 -13.858 1.00 16.59 C ATOM 388 O LYS A 37 -1.601 -0.258 -13.096 1.00 18.31 O ATOM 389 CB LYS A 37 -0.536 2.178 -14.014 1.00 18.72 C ATOM 390 CG LYS A 37 0.005 3.358 -14.752 1.00 24.68 C ATOM 391 CD LYS A 37 1.521 3.444 -14.755 1.00 27.64 C ATOM 392 CE LYS A 37 1.985 4.844 -15.294 1.00 28.00 C ATOM 393 NZ LYS A 37 3.298 4.825 -16.062 1.00 35.81 N ATOM 394 HZ1 LYS A 37 4.056 4.474 -15.442 1.00 0.00 H ATOM 395 HZ2 LYS A 37 3.206 4.199 -16.888 1.00 0.00 H ATOM 396 HZ3 LYS A 37 3.526 5.789 -16.380 1.00 0.00 H ATOM 397 H LYS A 37 -1.749 0.639 -16.074 1.00 0.00 H ATOM 398 N PRO A 38 -0.019 -1.517 -14.040 1.00 15.06 N ATOM 399 CA PRO A 38 -0.567 -2.734 -13.446 1.00 16.66 C ATOM 400 C PRO A 38 -0.360 -2.812 -11.948 1.00 15.39 C ATOM 401 O PRO A 38 0.543 -2.222 -11.368 1.00 15.69 O ATOM 402 CB PRO A 38 0.222 -3.844 -14.129 1.00 15.87 C ATOM 403 CG PRO A 38 0.886 -3.231 -15.280 1.00 17.83 C ATOM 404 CD PRO A 38 1.126 -1.809 -14.912 1.00 15.42 C ATOM 405 N ASN A 39 -1.206 -3.616 -11.343 1.00 15.85 N ATOM 406 CA ASN A 39 -0.964 -4.124 -10.005 1.00 15.27 C ATOM 407 C ASN A 39 -0.398 -5.528 -10.148 1.00 16.31 C ATOM 408 O ASN A 39 -0.768 -6.260 -11.061 1.00 19.06 O ATOM 409 CB ASN A 39 -2.256 -4.168 -9.217 1.00 17.39 C ATOM 410 CG ASN A 39 -2.588 -2.850 -8.570 1.00 23.23 C ATOM 411 OD1 ASN A 39 -1.987 -1.827 -8.869 1.00 22.45 O ATOM 412 ND2 ASN A 39 -3.495 -2.894 -7.594 1.00 35.54 N ATOM 413 HD22 ASN A 39 -3.981 -3.787 -7.375 1.00 0.00 H ATOM 414 HD21 ASN A 39 -3.717 -2.035 -7.051 1.00 0.00 H ATOM 415 H ASN A 39 -2.076 -3.897 -11.839 1.00 0.00 H ATOM 416 N MET A 40 0.551 -5.866 -9.303 1.00 14.55 N ATOM 417 CA MET A 40 1.127 -7.201 -9.311 1.00 15.36 C ATOM 418 C MET A 40 0.843 -7.841 -7.965 1.00 13.99 C ATOM 419 O MET A 40 1.054 -7.209 -6.935 1.00 16.66 O ATOM 420 CB MET A 40 2.620 -7.130 -9.562 1.00 17.68 C ATOM 421 CG MET A 40 3.267 -8.465 -9.644 1.00 19.10 C ATOM 422 SD MET A 40 4.990 -8.384 -10.049 1.00 20.41 S ATOM 423 CE MET A 40 5.503 -6.789 -9.382 1.00 24.82 C ATOM 424 H MET A 40 0.896 -5.165 -8.616 1.00 0.00 H ATOM 425 N ILE A 41 0.304 -9.051 -7.977 1.00 15.11 N ATOM 426 CA ILE A 41 -0.045 -9.769 -6.754 1.00 15.71 C ATOM 427 C ILE A 41 0.806 -11.027 -6.720 1.00 15.14 C ATOM 428 O ILE A 41 0.677 -11.893 -7.606 1.00 16.33 O ATOM 429 CB ILE A 41 -1.548 -10.089 -6.710 1.00 16.35 C ATOM 430 CG1 ILE A 41 -2.374 -8.794 -6.864 1.00 21.28 C ATOM 431 CG2 ILE A 41 -1.915 -10.717 -5.386 1.00 20.91 C ATOM 432 CD1 ILE A 41 -2.894 -8.522 -8.306 1.00 24.74 C ATOM 433 H ILE A 41 0.122 -9.508 -8.893 1.00 0.00 H ATOM 434 N ILE A 42 1.657 -11.143 -5.711 1.00 14.98 N ATOM 435 CA ILE A 42 2.577 -12.265 -5.564 1.00 14.18 C ATOM 436 C ILE A 42 2.210 -13.050 -4.327 1.00 14.97 C ATOM 437 O ILE A 42 2.034 -12.473 -3.234 1.00 15.20 O ATOM 438 CB ILE A 42 4.039 -11.804 -5.494 1.00 13.96 C ATOM 439 CG1 ILE A 42 4.369 -11.002 -6.754 1.00 15.29 C ATOM 440 CG2 ILE A 42 4.965 -12.972 -5.314 1.00 14.58 C ATOM 441 CD1 ILE A 42 5.800 -10.519 -6.793 1.00 17.24 C ATOM 442 H ILE A 42 1.669 -10.396 -4.987 1.00 0.00 H ATOM 443 N SER A 43 2.122 -14.358 -4.488 1.00 13.37 N ATOM 444 CA SER A 43 1.818 -15.223 -3.360 1.00 14.12 C ATOM 445 C SER A 43 2.686 -16.469 -3.432 1.00 15.28 C ATOM 446 O SER A 43 3.110 -16.888 -4.517 1.00 15.45 O ATOM 447 CB SER A 43 0.334 -15.562 -3.341 1.00 17.04 C ATOM 448 OG SER A 43 -0.048 -16.264 -4.510 1.00 21.60 O ATOM 449 HG SER A 43 0.138 -15.704 -5.305 1.00 0.00 H ATOM 450 H SER A 43 2.272 -14.773 -5.430 1.00 0.00 H ATOM 451 N VAL A 44 2.927 -17.079 -2.274 1.00 14.79 N ATOM 452 CA VAL A 44 3.711 -18.303 -2.172 1.00 15.96 C ATOM 453 C VAL A 44 2.886 -19.316 -1.398 1.00 18.24 C ATOM 454 O VAL A 44 2.367 -19.009 -0.316 1.00 19.36 O ATOM 455 CB VAL A 44 5.064 -18.066 -1.472 1.00 18.29 C ATOM 456 CG1 VAL A 44 5.860 -19.374 -1.433 1.00 20.64 C ATOM 457 CG2 VAL A 44 5.829 -17.025 -2.241 1.00 19.72 C ATOM 458 H VAL A 44 2.539 -16.664 -1.403 1.00 0.00 H ATOM 459 N ASN A 45 2.758 -20.513 -1.943 1.00 16.05 N ATOM 460 CA ASN A 45 2.001 -21.576 -1.277 1.00 17.30 C ATOM 461 C ASN A 45 2.844 -22.834 -1.460 1.00 18.26 C ATOM 462 O ASN A 45 2.876 -23.428 -2.544 1.00 19.22 O ATOM 463 CB ASN A 45 0.607 -21.706 -1.866 1.00 17.88 C ATOM 464 CG ASN A 45 -0.250 -22.705 -1.131 1.00 21.13 C ATOM 465 OD1 ASN A 45 0.256 -23.698 -0.635 1.00 20.94 O ATOM 466 ND2 ASN A 45 -1.547 -22.474 -1.109 1.00 18.41 N ATOM 467 HD22 ASN A 45 -1.929 -21.611 -1.547 1.00 0.00 H ATOM 468 HD21 ASN A 45 -2.189 -23.154 -0.654 1.00 0.00 H ATOM 469 H ASN A 45 3.204 -20.704 -2.863 1.00 0.00 H ATOM 470 N GLY A 46 3.543 -23.231 -0.397 1.00 22.04 N ATOM 471 CA GLY A 46 4.463 -24.352 -0.544 1.00 22.57 C ATOM 472 C GLY A 46 5.592 -23.996 -1.496 1.00 21.35 C ATOM 473 O GLY A 46 6.257 -22.960 -1.356 1.00 24.04 O ATOM 474 H GLY A 46 3.434 -22.751 0.519 1.00 0.00 H ATOM 475 N ASP A 47 5.809 -24.859 -2.485 1.00 18.82 N ATOM 476 CA ASP A 47 6.841 -24.654 -3.476 1.00 20.51 C ATOM 477 C ASP A 47 6.348 -23.824 -4.648 1.00 17.20 C ATOM 478 O ASP A 47 7.139 -23.547 -5.533 1.00 18.19 O ATOM 479 CB ASP A 47 7.331 -25.997 -4.020 1.00 23.37 C ATOM 480 CG ASP A 47 8.118 -26.801 -3.004 1.00 31.21 C ATOM 481 OD1 ASP A 47 8.894 -26.204 -2.227 1.00 32.95 O ATOM 482 OD2 ASP A 47 7.970 -28.041 -3.013 1.00 36.10 O ATOM 483 H ASP A 47 5.215 -25.711 -2.547 1.00 0.00 H ATOM 484 N VAL A 48 5.061 -23.487 -4.695 1.00 17.39 N ATOM 485 CA VAL A 48 4.461 -22.819 -5.858 1.00 13.01 C ATOM 486 C VAL A 48 4.408 -21.322 -5.617 1.00 13.80 C ATOM 487 O VAL A 48 3.818 -20.852 -4.638 1.00 14.57 O ATOM 488 CB VAL A 48 3.049 -23.335 -6.156 1.00 16.31 C ATOM 489 CG1 VAL A 48 2.501 -22.708 -7.447 1.00 15.84 C ATOM 490 CG2 VAL A 48 3.028 -24.861 -6.246 1.00 18.00 C ATOM 491 H VAL A 48 4.457 -23.705 -3.877 1.00 0.00 H ATOM 492 N ILE A 49 5.032 -20.568 -6.499 1.00 12.37 N ATOM 493 CA ILE A 49 4.944 -19.117 -6.489 1.00 12.15 C ATOM 494 C ILE A 49 3.948 -18.696 -7.557 1.00 13.18 C ATOM 495 O ILE A 49 3.988 -19.200 -8.689 1.00 14.72 O ATOM 496 CB ILE A 49 6.312 -18.496 -6.770 1.00 13.61 C ATOM 497 CG1 ILE A 49 7.322 -18.971 -5.728 1.00 16.59 C ATOM 498 CG2 ILE A 49 6.208 -16.989 -6.784 1.00 14.40 C ATOM 499 CD1 ILE A 49 8.759 -18.515 -6.018 1.00 20.92 C ATOM 500 H ILE A 49 5.610 -21.029 -7.231 1.00 0.00 H ATOM 501 N THR A 50 3.052 -17.790 -7.200 1.00 12.64 N ATOM 502 CA THR A 50 2.072 -17.282 -8.163 1.00 14.00 C ATOM 503 C THR A 50 2.286 -15.784 -8.317 1.00 13.08 C ATOM 504 O THR A 50 2.379 -15.062 -7.312 1.00 14.21 O ATOM 505 CB THR A 50 0.639 -17.557 -7.697 1.00 14.43 C ATOM 506 OG1 THR A 50 0.399 -18.978 -7.670 1.00 18.25 O ATOM 507 CG2 THR A 50 -0.369 -16.925 -8.654 1.00 17.54 C ATOM 508 HG1 THR A 50 0.526 -19.350 -8.579 1.00 0.00 H ATOM 509 H THR A 50 3.043 -17.434 -6.223 1.00 0.00 H ATOM 510 N ILE A 51 2.447 -15.324 -9.559 1.00 12.88 N ATOM 511 CA ILE A 51 2.527 -13.893 -9.866 1.00 13.16 C ATOM 512 C ILE A 51 1.342 -13.537 -10.765 1.00 13.33 C ATOM 513 O ILE A 51 1.235 -14.042 -11.883 1.00 15.10 O ATOM 514 CB ILE A 51 3.856 -13.496 -10.531 1.00 13.04 C ATOM 515 CG1 ILE A 51 5.032 -13.886 -9.645 1.00 13.85 C ATOM 516 CG2 ILE A 51 3.875 -11.945 -10.778 1.00 14.08 C ATOM 517 CD1 ILE A 51 6.388 -13.556 -10.288 1.00 16.69 C ATOM 518 H ILE A 51 2.519 -16.007 -10.340 1.00 0.00 H ATOM 519 N LYS A 52 0.448 -12.689 -10.265 1.00 12.81 N ATOM 520 CA LYS A 52 -0.674 -12.178 -11.047 1.00 15.09 C ATOM 521 C LYS A 52 -0.427 -10.721 -11.387 1.00 15.11 C ATOM 522 O LYS A 52 0.122 -9.965 -10.581 1.00 15.95 O ATOM 523 CB LYS A 52 -1.998 -12.292 -10.293 1.00 17.16 C ATOM 524 CG LYS A 52 -2.367 -13.687 -9.851 1.00 23.13 C ATOM 525 CD LYS A 52 -3.752 -13.664 -9.202 1.00 27.62 C ATOM 526 CE LYS A 52 -4.092 -15.073 -8.697 1.00 29.77 C ATOM 527 NZ LYS A 52 -5.429 -15.165 -8.032 1.00 37.35 N ATOM 528 HZ1 LYS A 52 -5.451 -14.527 -7.211 1.00 0.00 H ATOM 529 HZ2 LYS A 52 -6.170 -14.889 -8.707 1.00 0.00 H ATOM 530 HZ3 LYS A 52 -5.592 -16.143 -7.717 1.00 0.00 H ATOM 531 H LYS A 52 0.552 -12.378 -9.278 1.00 0.00 H ATOM 532 N SER A 53 -0.810 -10.316 -12.584 1.00 14.50 N ATOM 533 CA SER A 53 -0.780 -8.906 -12.926 1.00 15.27 C ATOM 534 C SER A 53 -2.176 -8.508 -13.363 1.00 17.69 C ATOM 535 O SER A 53 -2.823 -9.236 -14.112 1.00 18.50 O ATOM 536 CB SER A 53 0.227 -8.653 -14.029 1.00 17.34 C ATOM 537 OG SER A 53 0.323 -7.244 -14.336 1.00 20.50 O ATOM 538 HG SER A 53 0.987 -7.109 -15.058 1.00 0.00 H ATOM 539 H SER A 53 -1.135 -11.011 -13.286 1.00 0.00 H ATOM 540 N GLU A 54 -2.655 -7.382 -12.875 1.00 17.27 N ATOM 541 CA GLU A 54 -3.958 -6.890 -13.285 1.00 16.45 C ATOM 542 C GLU A 54 -3.782 -5.496 -13.826 1.00 17.85 C ATOM 543 O GLU A 54 -3.145 -4.662 -13.184 1.00 16.71 O ATOM 544 CB GLU A 54 -4.939 -6.921 -12.119 1.00 21.31 C ATOM 545 CG GLU A 54 -5.296 -8.328 -11.677 1.00 25.15 C ATOM 546 CD GLU A 54 -6.305 -8.261 -10.579 1.00 31.70 C ATOM 547 OE1 GLU A 54 -6.287 -7.226 -9.878 1.00 30.91 O ATOM 548 OE2 GLU A 54 -7.111 -9.214 -10.434 1.00 37.19 O ATOM 549 H GLU A 54 -2.093 -6.839 -12.188 1.00 0.00 H ATOM 550 N SER A 55 -4.313 -5.245 -15.016 1.00 18.29 N ATOM 551 CA SER A 55 -4.225 -3.885 -15.523 1.00 20.40 C ATOM 552 C SER A 55 -5.336 -3.672 -16.523 1.00 19.79 C ATOM 553 O SER A 55 -6.103 -4.579 -16.847 1.00 19.82 O ATOM 554 CB SER A 55 -2.857 -3.568 -16.150 1.00 22.35 C ATOM 555 OG SER A 55 -2.772 -4.005 -17.492 1.00 20.06 O ATOM 556 HG SER A 55 -2.908 -4.985 -17.528 1.00 0.00 H ATOM 557 H SER A 55 -4.776 -5.995 -15.567 1.00 0.00 H ATOM 558 N THR A 56 -5.422 -2.440 -17.001 1.00 19.30 N ATOM 559 CA THR A 56 -6.398 -2.165 -18.033 1.00 20.82 C ATOM 560 C THR A 56 -6.027 -2.805 -19.348 1.00 22.78 C ATOM 561 O THR A 56 -6.891 -2.900 -20.221 1.00 25.59 O ATOM 562 CB THR A 56 -6.543 -0.655 -18.240 1.00 21.64 C ATOM 563 OG1 THR A 56 -5.244 -0.099 -18.460 1.00 24.58 O ATOM 564 CG2 THR A 56 -7.136 -0.020 -17.032 1.00 20.84 C ATOM 565 HG1 THR A 56 -5.323 0.878 -18.596 1.00 0.00 H ATOM 566 H THR A 56 -4.801 -1.686 -16.642 1.00 0.00 H ATOM 567 N PHE A 57 -4.763 -3.201 -19.527 1.00 19.14 N ATOM 568 CA PHE A 57 -4.313 -3.813 -20.776 1.00 21.55 C ATOM 569 C PHE A 57 -4.644 -5.299 -20.793 1.00 23.69 C ATOM 570 O PHE A 57 -5.377 -5.775 -21.665 1.00 25.51 O ATOM 571 CB PHE A 57 -2.813 -3.573 -20.945 1.00 20.92 C ATOM 572 CG PHE A 57 -2.188 -4.351 -22.059 1.00 21.42 C ATOM 573 CD1 PHE A 57 -2.703 -4.272 -23.343 1.00 22.20 C ATOM 574 CD2 PHE A 57 -1.061 -5.116 -21.834 1.00 21.64 C ATOM 575 CE1 PHE A 57 -2.105 -5.002 -24.415 1.00 23.26 C ATOM 576 CE2 PHE A 57 -0.464 -5.843 -22.866 1.00 24.11 C ATOM 577 CZ PHE A 57 -0.991 -5.781 -24.169 1.00 23.08 C ATOM 578 H PHE A 57 -4.079 -3.070 -18.755 1.00 0.00 H ATOM 579 N LYS A 58 -4.147 -6.041 -19.805 1.00 24.16 N ATOM 580 CA LYS A 58 -4.365 -7.480 -19.746 1.00 23.76 C ATOM 581 C LYS A 58 -4.276 -7.924 -18.294 1.00 22.80 C ATOM 582 O LYS A 58 -3.630 -7.276 -17.450 1.00 24.76 O ATOM 583 CB LYS A 58 -3.338 -8.268 -20.579 1.00 25.02 C ATOM 584 CG LYS A 58 -3.419 -8.107 -22.050 1.00 29.05 C ATOM 585 CD LYS A 58 -3.432 -9.433 -22.765 1.00 32.40 C ATOM 586 CE LYS A 58 -3.661 -9.268 -24.279 1.00 35.40 C ATOM 587 NZ LYS A 58 -2.546 -8.566 -25.044 1.00 33.57 N ATOM 588 HZ1 LYS A 58 -2.416 -7.607 -24.662 1.00 0.00 H ATOM 589 HZ2 LYS A 58 -1.663 -9.105 -24.939 1.00 0.00 H ATOM 590 HZ3 LYS A 58 -2.801 -8.508 -26.051 1.00 0.00 H ATOM 591 H LYS A 58 -3.589 -5.582 -19.057 1.00 0.00 H ATOM 592 N ASN A 59 -4.974 -8.989 -17.994 1.00 18.79 N ATOM 593 CA ASN A 59 -4.775 -9.687 -16.735 1.00 19.35 C ATOM 594 C ASN A 59 -4.016 -10.971 -17.044 1.00 20.87 C ATOM 595 O ASN A 59 -4.290 -11.645 -18.053 1.00 24.19 O ATOM 596 CB ASN A 59 -6.108 -9.984 -16.052 1.00 21.12 C ATOM 597 CG ASN A 59 -6.865 -8.740 -15.637 1.00 24.12 C ATOM 598 OD1 ASN A 59 -6.304 -7.681 -15.400 1.00 21.22 O ATOM 599 ND2 ASN A 59 -8.176 -8.870 -15.576 1.00 30.84 N ATOM 600 HD22 ASN A 59 -8.618 -9.788 -15.785 1.00 0.00 H ATOM 601 HD21 ASN A 59 -8.768 -8.054 -15.319 1.00 0.00 H ATOM 602 H ASN A 59 -5.683 -9.342 -18.668 1.00 0.00 H ATOM 603 N THR A 60 -3.017 -11.264 -16.230 1.00 17.03 N ATOM 604 CA THR A 60 -2.199 -12.452 -16.432 1.00 16.04 C ATOM 605 C THR A 60 -1.958 -13.126 -15.085 1.00 14.85 C ATOM 606 O THR A 60 -2.063 -12.513 -14.017 1.00 16.30 O ATOM 607 CB THR A 60 -0.839 -12.124 -17.082 1.00 15.61 C ATOM 608 OG1 THR A 60 -0.052 -11.354 -16.153 1.00 17.41 O ATOM 609 CG2 THR A 60 -0.965 -11.330 -18.388 1.00 19.55 C ATOM 610 HG1 THR A 60 0.823 -11.139 -16.563 1.00 0.00 H ATOM 611 H THR A 60 -2.811 -10.634 -15.429 1.00 0.00 H ATOM 612 N GLU A 61 -1.657 -14.420 -15.149 1.00 16.30 N ATOM 613 CA GLU A 61 -1.297 -15.174 -13.952 1.00 16.38 C ATOM 614 C GLU A 61 -0.337 -16.277 -14.366 1.00 16.43 C ATOM 615 O GLU A 61 -0.587 -16.980 -15.357 1.00 18.41 O ATOM 616 CB GLU A 61 -2.537 -15.746 -13.270 1.00 20.90 C ATOM 617 CG GLU A 61 -2.220 -16.614 -12.080 1.00 25.32 C ATOM 618 CD GLU A 61 -3.468 -17.348 -11.552 1.00 30.96 C ATOM 619 OE1 GLU A 61 -4.603 -16.859 -11.802 1.00 34.71 O ATOM 620 OE2 GLU A 61 -3.320 -18.415 -10.915 1.00 34.55 O ATOM 621 H GLU A 61 -1.679 -14.904 -16.069 1.00 0.00 H ATOM 622 N ILE A 62 0.795 -16.370 -13.665 1.00 14.87 N ATOM 623 CA ILE A 62 1.708 -17.503 -13.810 1.00 15.03 C ATOM 624 C ILE A 62 1.884 -18.140 -12.444 1.00 14.14 C ATOM 625 O ILE A 62 1.985 -17.444 -11.432 1.00 14.85 O ATOM 626 CB ILE A 62 3.080 -17.128 -14.423 1.00 14.09 C ATOM 627 CG1 ILE A 62 3.782 -16.010 -13.654 1.00 16.27 C ATOM 628 CG2 ILE A 62 2.916 -16.703 -15.917 1.00 16.91 C ATOM 629 CD1 ILE A 62 5.213 -15.786 -14.119 1.00 16.84 C ATOM 630 H ILE A 62 1.035 -15.612 -12.994 1.00 0.00 H ATOM 631 N SER A 63 1.936 -19.466 -12.415 1.00 12.34 N ATOM 632 CA SER A 63 2.317 -20.190 -11.217 1.00 14.19 C ATOM 633 C SER A 63 3.456 -21.125 -11.592 1.00 14.50 C ATOM 634 O SER A 63 3.451 -21.692 -12.687 1.00 14.59 O ATOM 635 CB SER A 63 1.154 -21.001 -10.624 1.00 16.28 C ATOM 636 OG SER A 63 0.131 -20.154 -10.169 1.00 17.18 O ATOM 637 HG SER A 63 0.489 -19.553 -9.469 1.00 0.00 H ATOM 638 H SER A 63 1.697 -20.000 -13.275 1.00 0.00 H ATOM 639 N PHE A 64 4.445 -21.257 -10.713 1.00 12.77 N ATOM 640 CA PHE A 64 5.647 -21.972 -11.104 1.00 11.88 C ATOM 641 C PHE A 64 6.375 -22.446 -9.861 1.00 11.73 C ATOM 642 O PHE A 64 6.132 -21.968 -8.739 1.00 12.58 O ATOM 643 CB PHE A 64 6.579 -21.091 -11.964 1.00 13.23 C ATOM 644 CG PHE A 64 6.972 -19.799 -11.285 1.00 13.28 C ATOM 645 CD1 PHE A 64 6.164 -18.649 -11.396 1.00 12.97 C ATOM 646 CD2 PHE A 64 8.143 -19.732 -10.523 1.00 14.01 C ATOM 647 CE1 PHE A 64 6.516 -17.487 -10.751 1.00 12.15 C ATOM 648 CE2 PHE A 64 8.505 -18.523 -9.879 1.00 13.25 C ATOM 649 CZ PHE A 64 7.705 -17.422 -10.001 1.00 12.64 C ATOM 650 H PHE A 64 4.359 -20.854 -9.758 1.00 0.00 H ATOM 651 N ILE A 65 7.274 -23.402 -10.090 1.00 13.07 N ATOM 652 CA ILE A 65 8.184 -23.927 -9.083 1.00 13.34 C ATOM 653 C ILE A 65 9.579 -23.510 -9.535 1.00 12.46 C ATOM 654 O ILE A 65 9.888 -23.548 -10.731 1.00 13.81 O ATOM 655 CB ILE A 65 8.035 -25.458 -8.950 1.00 15.09 C ATOM 656 CG1 ILE A 65 6.613 -25.773 -8.410 1.00 15.60 C ATOM 657 CG2 ILE A 65 9.142 -25.998 -8.051 1.00 14.85 C ATOM 658 CD1 ILE A 65 6.307 -27.288 -8.348 1.00 17.15 C ATOM 659 H ILE A 65 7.329 -23.799 -11.050 1.00 0.00 H ATOM 660 N LEU A 66 10.392 -23.010 -8.603 1.00 13.91 N ATOM 661 CA LEU A 66 11.710 -22.526 -9.009 1.00 14.73 C ATOM 662 C LEU A 66 12.500 -23.615 -9.709 1.00 14.83 C ATOM 663 O LEU A 66 12.493 -24.780 -9.287 1.00 16.57 O ATOM 664 CB LEU A 66 12.486 -21.999 -7.793 1.00 15.88 C ATOM 665 CG LEU A 66 11.851 -20.788 -7.120 1.00 16.45 C ATOM 666 CD1 LEU A 66 12.550 -20.535 -5.796 1.00 16.98 C ATOM 667 CD2 LEU A 66 11.909 -19.543 -8.002 1.00 16.52 C ATOM 668 H LEU A 66 10.094 -22.965 -7.608 1.00 0.00 H ATOM 669 N GLY A 67 13.121 -23.248 -10.830 1.00 14.17 N ATOM 670 CA GLY A 67 13.977 -24.135 -11.580 1.00 14.42 C ATOM 671 C GLY A 67 13.265 -25.057 -12.541 1.00 15.57 C ATOM 672 O GLY A 67 13.946 -25.810 -13.268 1.00 16.13 O ATOM 673 H GLY A 67 12.982 -22.278 -11.180 1.00 0.00 H ATOM 674 N GLN A 68 11.930 -24.986 -12.629 1.00 13.85 N ATOM 675 CA GLN A 68 11.115 -25.912 -13.415 1.00 13.44 C ATOM 676 C GLN A 68 10.446 -25.136 -14.544 1.00 16.12 C ATOM 677 O GLN A 68 9.572 -24.299 -14.299 1.00 14.15 O ATOM 678 CB GLN A 68 10.087 -26.646 -12.547 1.00 13.95 C ATOM 679 CG GLN A 68 10.713 -27.317 -11.344 1.00 15.74 C ATOM 680 CD GLN A 68 9.843 -28.394 -10.730 1.00 16.69 C ATOM 681 OE1 GLN A 68 8.723 -28.654 -11.157 1.00 22.44 O ATOM 682 NE2 GLN A 68 10.406 -29.067 -9.755 1.00 21.32 N ATOM 683 HE22 GLN A 68 11.359 -28.809 -9.427 1.00 0.00 H ATOM 684 HE21 GLN A 68 9.900 -29.859 -9.310 1.00 0.00 H ATOM 685 H GLN A 68 11.445 -24.228 -12.108 1.00 0.00 H ATOM 686 N GLU A 69 10.805 -25.488 -15.766 1.00 14.53 N ATOM 687 CA GLU A 69 10.312 -24.794 -16.955 1.00 14.05 C ATOM 688 C GLU A 69 8.794 -24.897 -17.073 1.00 13.56 C ATOM 689 O GLU A 69 8.190 -25.958 -16.791 1.00 15.56 O ATOM 690 CB GLU A 69 10.977 -25.403 -18.200 1.00 15.21 C ATOM 691 CG GLU A 69 10.638 -24.604 -19.463 1.00 16.42 C ATOM 692 CD GLU A 69 11.397 -25.056 -20.696 1.00 23.00 C ATOM 693 OE1 GLU A 69 11.235 -26.226 -21.078 1.00 25.70 O ATOM 694 OE2 GLU A 69 12.144 -24.226 -21.282 1.00 25.65 O ATOM 695 H GLU A 69 11.461 -26.286 -15.886 1.00 0.00 H ATOM 696 N PHE A 70 8.171 -23.820 -17.561 1.00 12.93 N ATOM 697 CA PHE A 70 6.737 -23.815 -17.772 1.00 13.82 C ATOM 698 C PHE A 70 6.403 -23.054 -19.047 1.00 15.44 C ATOM 699 O PHE A 70 7.221 -22.334 -19.589 1.00 15.13 O ATOM 700 CB PHE A 70 5.969 -23.248 -16.558 1.00 13.84 C ATOM 701 CG PHE A 70 6.334 -21.826 -16.179 1.00 14.51 C ATOM 702 CD1 PHE A 70 7.438 -21.565 -15.399 1.00 14.33 C ATOM 703 CD2 PHE A 70 5.556 -20.764 -16.607 1.00 15.10 C ATOM 704 CE1 PHE A 70 7.790 -20.258 -15.031 1.00 14.75 C ATOM 705 CE2 PHE A 70 5.867 -19.439 -16.209 1.00 16.20 C ATOM 706 CZ PHE A 70 7.009 -19.195 -15.415 1.00 15.13 C ATOM 707 H PHE A 70 8.725 -22.971 -17.793 1.00 0.00 H ATOM 708 N ASP A 71 5.180 -23.257 -19.521 1.00 15.35 N ATOM 709 CA ASP A 71 4.622 -22.502 -20.638 1.00 16.13 C ATOM 710 C ASP A 71 3.982 -21.218 -20.148 1.00 16.77 C ATOM 711 O ASP A 71 3.201 -21.235 -19.195 1.00 20.15 O ATOM 712 CB ASP A 71 3.539 -23.337 -21.328 1.00 18.42 C ATOM 713 CG ASP A 71 4.066 -24.579 -21.916 1.00 23.37 C ATOM 714 OD1 ASP A 71 5.004 -24.485 -22.733 1.00 24.66 O ATOM 715 OD2 ASP A 71 3.530 -25.664 -21.560 1.00 21.84 O ATOM 716 H ASP A 71 4.591 -23.989 -19.075 1.00 0.00 H ATOM 717 N GLU A 72 4.267 -20.095 -20.820 1.00 15.97 N ATOM 718 CA GLU A 72 3.705 -18.816 -20.432 1.00 16.90 C ATOM 719 C GLU A 72 3.145 -18.151 -21.677 1.00 15.69 C ATOM 720 O GLU A 72 3.827 -18.116 -22.691 1.00 17.28 O ATOM 721 CB GLU A 72 4.782 -17.908 -19.793 1.00 15.87 C ATOM 722 CG GLU A 72 4.288 -16.511 -19.377 1.00 15.50 C ATOM 723 CD GLU A 72 5.366 -15.636 -18.739 1.00 16.35 C ATOM 724 OE1 GLU A 72 6.574 -15.975 -18.793 1.00 16.78 O ATOM 725 OE2 GLU A 72 4.980 -14.564 -18.207 1.00 18.76 O ATOM 726 H GLU A 72 4.906 -20.142 -21.639 1.00 0.00 H ATOM 727 N VAL A 73 1.945 -17.592 -21.592 1.00 16.80 N ATOM 728 CA VAL A 73 1.489 -16.684 -22.649 1.00 16.70 C ATOM 729 C VAL A 73 1.590 -15.293 -22.061 1.00 16.63 C ATOM 730 O VAL A 73 0.900 -14.957 -21.097 1.00 18.93 O ATOM 731 CB VAL A 73 0.074 -16.988 -23.145 1.00 20.86 C ATOM 732 CG1 VAL A 73 -0.310 -15.966 -24.200 1.00 21.47 C ATOM 733 CG2 VAL A 73 0.020 -18.390 -23.743 1.00 22.72 C ATOM 734 H VAL A 73 1.330 -17.797 -20.779 1.00 0.00 H ATOM 735 N THR A 74 2.478 -14.490 -22.628 1.00 15.48 N ATOM 736 CA THR A 74 2.769 -13.191 -22.032 1.00 16.42 C ATOM 737 C THR A 74 1.654 -12.186 -22.322 1.00 16.60 C ATOM 738 O THR A 74 0.747 -12.427 -23.126 1.00 17.50 O ATOM 739 CB THR A 74 4.092 -12.668 -22.559 1.00 15.56 C ATOM 740 OG1 THR A 74 3.967 -12.407 -23.957 1.00 15.28 O ATOM 741 CG2 THR A 74 5.181 -13.668 -22.331 1.00 15.57 C ATOM 742 HG1 THR A 74 3.259 -11.731 -24.103 1.00 0.00 H ATOM 743 H THR A 74 2.967 -14.785 -23.497 1.00 0.00 H ATOM 744 N ALA A 75 1.720 -11.038 -21.634 1.00 18.00 N ATOM 745 CA ALA A 75 0.675 -10.034 -21.817 1.00 17.82 C ATOM 746 C ALA A 75 0.621 -9.539 -23.257 1.00 20.35 C ATOM 747 O ALA A 75 -0.463 -9.215 -23.764 1.00 21.00 O ATOM 748 CB ALA A 75 0.902 -8.855 -20.888 1.00 19.19 C ATOM 749 H ALA A 75 2.507 -10.864 -20.977 1.00 0.00 H ATOM 750 N ASP A 76 1.763 -9.507 -23.940 1.00 18.52 N ATOM 751 CA ASP A 76 1.806 -9.118 -25.339 1.00 16.78 C ATOM 752 C ASP A 76 1.574 -10.278 -26.311 1.00 20.12 C ATOM 753 O ASP A 76 1.790 -10.106 -27.520 1.00 22.73 O ATOM 754 CB ASP A 76 3.132 -8.417 -25.646 1.00 19.78 C ATOM 755 CG ASP A 76 4.322 -9.294 -25.409 1.00 18.80 C ATOM 756 OD1 ASP A 76 4.452 -9.841 -24.262 1.00 17.51 O ATOM 757 OD2 ASP A 76 5.136 -9.425 -26.358 1.00 17.70 O ATOM 758 H ASP A 76 2.648 -9.767 -23.459 1.00 0.00 H ATOM 759 N ASP A 77 1.143 -11.435 -25.805 1.00 19.36 N ATOM 760 CA ASP A 77 0.673 -12.582 -26.585 1.00 22.36 C ATOM 761 C ASP A 77 1.811 -13.348 -27.236 1.00 21.52 C ATOM 762 O ASP A 77 1.633 -13.946 -28.301 1.00 23.50 O ATOM 763 CB ASP A 77 -0.368 -12.189 -27.658 1.00 24.44 C ATOM 764 CG ASP A 77 -1.330 -13.331 -27.973 1.00 34.89 C ATOM 765 OD1 ASP A 77 -1.519 -14.212 -27.112 1.00 37.96 O ATOM 766 OD2 ASP A 77 -1.914 -13.361 -29.078 1.00 40.05 O ATOM 767 H ASP A 77 1.141 -11.530 -24.769 1.00 0.00 H ATOM 768 N ARG A 78 2.995 -13.334 -26.646 1.00 17.55 N ATOM 769 CA ARG A 78 3.984 -14.331 -27.013 1.00 16.32 C ATOM 770 C ARG A 78 3.731 -15.626 -26.258 1.00 15.40 C ATOM 771 O ARG A 78 3.355 -15.609 -25.084 1.00 17.82 O ATOM 772 CB ARG A 78 5.398 -13.874 -26.671 1.00 16.83 C ATOM 773 CG ARG A 78 5.931 -12.762 -27.580 1.00 16.45 C ATOM 774 CD ARG A 78 7.278 -12.203 -27.068 1.00 15.51 C ATOM 775 NE ARG A 78 7.014 -11.417 -25.867 1.00 15.14 N ATOM 776 CZ ARG A 78 7.648 -11.538 -24.696 1.00 15.44 C ATOM 777 NH1 ARG A 78 8.736 -12.309 -24.556 1.00 14.52 N ATOM 778 NH2 ARG A 78 7.220 -10.809 -23.687 1.00 15.68 N ATOM 779 HE ARG A 78 6.265 -10.698 -25.927 1.00 0.00 H ATOM 780 HH12 ARG A 78 9.206 -12.382 -23.631 1.00 0.00 H ATOM 781 HH11 ARG A 78 9.110 -12.834 -25.372 1.00 0.00 H ATOM 782 HH22 ARG A 78 7.689 -10.877 -22.761 1.00 0.00 H ATOM 783 HH21 ARG A 78 6.413 -10.165 -23.816 1.00 0.00 H ATOM 784 H ARG A 78 3.215 -12.616 -25.927 1.00 0.00 H ATOM 785 N LYS A 79 3.961 -16.753 -26.932 1.00 15.85 N ATOM 786 CA LYS A 79 3.926 -18.073 -26.290 1.00 17.18 C ATOM 787 C LYS A 79 5.376 -18.449 -26.021 1.00 15.94 C ATOM 788 O LYS A 79 6.157 -18.657 -26.950 1.00 19.36 O ATOM 789 CB LYS A 79 3.207 -19.095 -27.175 1.00 17.82 C ATOM 790 CG LYS A 79 3.133 -20.475 -26.522 1.00 25.82 C ATOM 791 CD LYS A 79 2.773 -21.579 -27.542 1.00 32.05 C ATOM 792 CE LYS A 79 2.546 -22.930 -26.856 1.00 34.56 C ATOM 793 NZ LYS A 79 2.152 -23.990 -27.864 1.00 36.53 N ATOM 794 HZ1 LYS A 79 1.272 -23.704 -28.340 1.00 0.00 H ATOM 795 HZ2 LYS A 79 2.910 -24.096 -28.568 1.00 0.00 H ATOM 796 HZ3 LYS A 79 2.004 -24.895 -27.374 1.00 0.00 H ATOM 797 H LYS A 79 4.173 -16.695 -27.949 1.00 0.00 H ATOM 798 N VAL A 80 5.768 -18.445 -24.747 1.00 14.61 N ATOM 799 CA VAL A 80 7.178 -18.568 -24.407 1.00 14.93 C ATOM 800 C VAL A 80 7.375 -19.758 -23.472 1.00 14.83 C ATOM 801 O VAL A 80 6.439 -20.253 -22.830 1.00 15.66 O ATOM 802 CB VAL A 80 7.741 -17.281 -23.751 1.00 13.72 C ATOM 803 CG1 VAL A 80 7.375 -16.042 -24.604 1.00 16.31 C ATOM 804 CG2 VAL A 80 7.151 -17.128 -22.349 1.00 13.22 C ATOM 805 H VAL A 80 5.061 -18.353 -23.990 1.00 0.00 H ATOM 806 N LYS A 81 8.604 -20.250 -23.444 1.00 14.71 N ATOM 807 CA LYS A 81 9.049 -21.186 -22.425 1.00 16.22 C ATOM 808 C LYS A 81 9.790 -20.395 -21.357 1.00 14.57 C ATOM 809 O LYS A 81 10.786 -19.724 -21.661 1.00 14.97 O ATOM 810 CB LYS A 81 9.980 -22.250 -22.996 1.00 16.20 C ATOM 811 CG LYS A 81 9.340 -23.066 -24.114 1.00 20.12 C ATOM 812 CD LYS A 81 8.361 -24.054 -23.557 1.00 19.98 C ATOM 813 CE LYS A 81 7.970 -25.062 -24.664 1.00 22.79 C ATOM 814 NZ LYS A 81 6.847 -25.898 -24.157 1.00 29.35 N ATOM 815 HZ1 LYS A 81 7.153 -26.406 -23.302 1.00 0.00 H ATOM 816 HZ2 LYS A 81 6.038 -25.287 -23.927 1.00 0.00 H ATOM 817 HZ3 LYS A 81 6.569 -26.583 -24.888 1.00 0.00 H ATOM 818 H LYS A 81 9.277 -19.955 -24.180 1.00 0.00 H ATOM 819 N SER A 82 9.334 -20.508 -20.109 1.00 12.59 N ATOM 820 CA SER A 82 9.877 -19.704 -19.023 1.00 12.24 C ATOM 821 C SER A 82 10.505 -20.582 -17.957 1.00 12.73 C ATOM 822 O SER A 82 9.968 -21.620 -17.614 1.00 14.12 O ATOM 823 CB SER A 82 8.782 -18.900 -18.368 1.00 13.41 C ATOM 824 OG SER A 82 8.417 -17.823 -19.263 1.00 14.39 O ATOM 825 HG SER A 82 7.698 -17.282 -18.850 1.00 0.00 H ATOM 826 H SER A 82 8.572 -21.187 -19.906 1.00 0.00 H ATOM 827 N THR A 83 11.609 -20.125 -17.382 1.00 12.18 N ATOM 828 CA THR A 83 12.185 -20.767 -16.207 1.00 13.23 C ATOM 829 C THR A 83 12.564 -19.679 -15.235 1.00 12.67 C ATOM 830 O THR A 83 13.189 -18.687 -15.638 1.00 13.36 O ATOM 831 CB THR A 83 13.429 -21.571 -16.562 1.00 15.52 C ATOM 832 OG1 THR A 83 13.096 -22.517 -17.587 1.00 15.94 O ATOM 833 CG2 THR A 83 13.964 -22.328 -15.338 1.00 15.85 C ATOM 834 HG1 THR A 83 13.901 -23.043 -17.823 1.00 0.00 H ATOM 835 H THR A 83 12.077 -19.286 -17.780 1.00 0.00 H ATOM 836 N ILE A 84 12.171 -19.828 -13.971 1.00 12.04 N ATOM 837 CA ILE A 84 12.448 -18.795 -12.977 1.00 11.77 C ATOM 838 C ILE A 84 13.244 -19.448 -11.861 1.00 11.89 C ATOM 839 O ILE A 84 12.865 -20.519 -11.374 1.00 13.83 O ATOM 840 CB ILE A 84 11.159 -18.159 -12.436 1.00 11.66 C ATOM 841 CG1 ILE A 84 10.347 -17.566 -13.589 1.00 12.28 C ATOM 842 CG2 ILE A 84 11.479 -17.106 -11.347 1.00 13.02 C ATOM 843 CD1 ILE A 84 9.039 -16.868 -13.174 1.00 13.46 C ATOM 844 H ILE A 84 11.661 -20.690 -13.689 1.00 0.00 H ATOM 845 N THR A 85 14.360 -18.813 -11.490 1.00 12.35 N ATOM 846 CA THR A 85 15.198 -19.299 -10.403 1.00 13.65 C ATOM 847 C THR A 85 15.405 -18.191 -9.396 1.00 16.09 C ATOM 848 O THR A 85 15.094 -17.036 -9.639 1.00 14.63 O ATOM 849 CB THR A 85 16.549 -19.808 -10.931 1.00 17.88 C ATOM 850 OG1 THR A 85 17.170 -18.790 -11.724 1.00 18.92 O ATOM 851 CG2 THR A 85 16.327 -21.062 -11.830 1.00 18.28 C ATOM 852 HG1 THR A 85 16.582 -18.564 -12.488 1.00 0.00 H ATOM 853 H THR A 85 14.638 -17.946 -11.993 1.00 0.00 H ATOM 854 N LEU A 86 15.943 -18.536 -8.239 1.00 16.75 N ATOM 855 CA LEU A 86 16.274 -17.548 -7.231 1.00 16.97 C ATOM 856 C LEU A 86 17.789 -17.523 -7.137 1.00 21.17 C ATOM 857 O LEU A 86 18.400 -18.562 -6.852 1.00 23.87 O ATOM 858 CB LEU A 86 15.621 -17.904 -5.885 1.00 19.09 C ATOM 859 CG LEU A 86 15.270 -16.932 -4.787 1.00 24.70 C ATOM 860 CD1 LEU A 86 14.556 -15.688 -5.256 1.00 20.88 C ATOM 861 CD2 LEU A 86 14.385 -17.721 -3.822 1.00 22.46 C ATOM 862 H LEU A 86 16.133 -19.540 -8.047 1.00 0.00 H ATOM 863 N ASP A 87 18.396 -16.362 -7.392 1.00 19.22 N ATOM 864 CA ASP A 87 19.845 -16.200 -7.316 1.00 21.14 C ATOM 865 C ASP A 87 20.150 -15.074 -6.340 1.00 20.08 C ATOM 866 O ASP A 87 19.943 -13.900 -6.650 1.00 19.65 O ATOM 867 CB ASP A 87 20.431 -15.926 -8.700 1.00 23.90 C ATOM 868 CG ASP A 87 21.843 -15.345 -8.659 1.00 32.03 C ATOM 869 OD1 ASP A 87 22.685 -15.825 -7.850 1.00 31.90 O ATOM 870 OD2 ASP A 87 22.137 -14.457 -9.503 1.00 35.89 O ATOM 871 H ASP A 87 17.814 -15.541 -7.655 1.00 0.00 H ATOM 872 N GLY A 88 20.645 -15.428 -5.162 1.00 20.42 N ATOM 873 CA GLY A 88 20.965 -14.397 -4.173 1.00 21.77 C ATOM 874 C GLY A 88 19.860 -13.397 -3.896 1.00 22.73 C ATOM 875 O GLY A 88 20.074 -12.175 -3.892 1.00 24.92 O ATOM 876 H GLY A 88 20.805 -16.432 -4.942 1.00 0.00 H ATOM 877 N GLY A 89 18.663 -13.904 -3.672 1.00 20.88 N ATOM 878 CA GLY A 89 17.563 -13.026 -3.341 1.00 18.38 C ATOM 879 C GLY A 89 16.806 -12.477 -4.536 1.00 19.29 C ATOM 880 O GLY A 89 15.744 -11.870 -4.351 1.00 19.33 O ATOM 881 H GLY A 89 18.511 -14.931 -3.733 1.00 0.00 H ATOM 882 N VAL A 90 17.289 -12.702 -5.755 1.00 15.95 N ATOM 883 CA VAL A 90 16.703 -12.104 -6.946 1.00 14.00 C ATOM 884 C VAL A 90 15.994 -13.190 -7.736 1.00 14.25 C ATOM 885 O VAL A 90 16.568 -14.259 -7.981 1.00 14.54 O ATOM 886 CB VAL A 90 17.783 -11.445 -7.815 1.00 15.05 C ATOM 887 CG1 VAL A 90 17.192 -10.911 -9.171 1.00 16.95 C ATOM 888 CG2 VAL A 90 18.535 -10.392 -7.046 1.00 19.22 C ATOM 889 H VAL A 90 18.114 -13.327 -5.861 1.00 0.00 H ATOM 890 N LEU A 91 14.733 -12.952 -8.098 1.00 13.57 N ATOM 891 CA LEU A 91 14.034 -13.877 -8.988 1.00 13.11 C ATOM 892 C LEU A 91 14.512 -13.601 -10.399 1.00 12.89 C ATOM 893 O LEU A 91 14.399 -12.473 -10.876 1.00 13.05 O ATOM 894 CB LEU A 91 12.518 -13.686 -8.916 1.00 15.15 C ATOM 895 CG LEU A 91 11.855 -14.250 -7.660 1.00 14.42 C ATOM 896 CD1 LEU A 91 10.424 -13.702 -7.579 1.00 16.70 C ATOM 897 CD2 LEU A 91 11.836 -15.782 -7.673 1.00 14.76 C ATOM 898 H LEU A 91 14.245 -12.104 -7.745 1.00 0.00 H ATOM 899 N VAL A 92 15.069 -14.609 -11.058 1.00 12.08 N ATOM 900 CA VAL A 92 15.613 -14.465 -12.405 1.00 12.30 C ATOM 901 C VAL A 92 14.731 -15.284 -13.329 1.00 11.91 C ATOM 902 O VAL A 92 14.666 -16.511 -13.208 1.00 13.62 O ATOM 903 CB VAL A 92 17.074 -14.933 -12.482 1.00 12.05 C ATOM 904 CG1 VAL A 92 17.610 -14.807 -13.878 1.00 13.94 C ATOM 905 CG2 VAL A 92 17.939 -14.113 -11.470 1.00 15.00 C ATOM 906 H VAL A 92 15.120 -15.539 -10.596 1.00 0.00 H ATOM 907 N HIS A 93 14.099 -14.629 -14.291 1.00 12.70 N ATOM 908 CA HIS A 93 13.076 -15.223 -15.160 1.00 12.58 C ATOM 909 C HIS A 93 13.571 -15.122 -16.593 1.00 13.52 C ATOM 910 O HIS A 93 13.739 -14.028 -17.116 1.00 13.83 O ATOM 911 CB HIS A 93 11.765 -14.453 -14.939 1.00 13.62 C ATOM 912 CG HIS A 93 10.611 -14.846 -15.817 1.00 13.05 C ATOM 913 ND1 HIS A 93 9.385 -14.253 -15.651 1.00 14.44 N ATOM 914 CD2 HIS A 93 10.459 -15.781 -16.786 1.00 14.81 C ATOM 915 CE1 HIS A 93 8.518 -14.792 -16.501 1.00 14.55 C ATOM 916 NE2 HIS A 93 9.150 -15.706 -17.214 1.00 14.58 N ATOM 917 H HIS A 93 14.343 -13.629 -14.440 1.00 0.00 H ATOM 918 N VAL A 94 13.805 -16.258 -17.242 1.00 12.74 N ATOM 919 CA VAL A 94 14.208 -16.263 -18.634 1.00 12.28 C ATOM 920 C VAL A 94 13.024 -16.717 -19.471 1.00 13.69 C ATOM 921 O VAL A 94 12.418 -17.751 -19.167 1.00 14.02 O ATOM 922 CB VAL A 94 15.424 -17.174 -18.838 1.00 16.09 C ATOM 923 CG1 VAL A 94 15.866 -17.189 -20.314 1.00 20.31 C ATOM 924 CG2 VAL A 94 16.546 -16.736 -17.886 1.00 19.06 C ATOM 925 H VAL A 94 13.697 -17.162 -16.740 1.00 0.00 H ATOM 926 N GLN A 95 12.672 -15.934 -20.489 1.00 13.02 N ATOM 927 CA GLN A 95 11.662 -16.318 -21.470 1.00 13.20 C ATOM 928 C GLN A 95 12.344 -16.630 -22.796 1.00 14.84 C ATOM 929 O GLN A 95 13.146 -15.825 -23.288 1.00 15.66 O ATOM 930 CB GLN A 95 10.650 -15.209 -21.709 1.00 13.90 C ATOM 931 CG GLN A 95 9.852 -14.795 -20.464 1.00 13.48 C ATOM 932 CD GLN A 95 8.992 -13.594 -20.736 1.00 13.54 C ATOM 933 OE1 GLN A 95 9.312 -12.772 -21.607 1.00 14.27 O ATOM 934 NE2 GLN A 95 7.901 -13.465 -20.012 1.00 14.22 N ATOM 935 HE22 GLN A 95 7.668 -14.177 -19.291 1.00 0.00 H ATOM 936 HE21 GLN A 95 7.271 -12.651 -20.161 1.00 0.00 H ATOM 937 H GLN A 95 13.137 -15.009 -20.589 1.00 0.00 H ATOM 938 N LYS A 96 11.981 -17.763 -23.391 1.00 14.60 N ATOM 939 CA LYS A 96 12.538 -18.213 -24.666 1.00 15.70 C ATOM 940 C LYS A 96 11.420 -18.409 -25.678 1.00 16.32 C ATOM 941 O LYS A 96 10.423 -19.062 -25.369 1.00 17.10 O ATOM 942 CB LYS A 96 13.250 -19.547 -24.525 1.00 18.67 C ATOM 943 CG LYS A 96 14.297 -19.588 -23.450 1.00 24.45 C ATOM 944 CD LYS A 96 15.554 -18.937 -23.955 1.00 27.65 C ATOM 945 CE LYS A 96 16.773 -19.348 -23.121 1.00 29.36 C ATOM 946 NZ LYS A 96 17.983 -18.643 -23.670 1.00 34.53 N ATOM 947 HZ1 LYS A 96 18.122 -18.918 -24.663 1.00 0.00 H ATOM 948 HZ2 LYS A 96 17.840 -17.615 -23.610 1.00 0.00 H ATOM 949 HZ3 LYS A 96 18.821 -18.911 -23.115 1.00 0.00 H ATOM 950 H LYS A 96 11.266 -18.358 -22.926 1.00 0.00 H ATOM 951 N TRP A 97 11.588 -17.854 -26.881 1.00 16.36 N ATOM 952 CA TRP A 97 10.584 -18.068 -27.916 1.00 17.23 C ATOM 953 C TRP A 97 11.208 -17.732 -29.261 1.00 22.36 C ATOM 954 O TRP A 97 12.044 -16.836 -29.346 1.00 21.32 O ATOM 955 CB TRP A 97 9.326 -17.212 -27.674 1.00 19.82 C ATOM 956 CG TRP A 97 9.531 -15.765 -28.035 1.00 18.42 C ATOM 957 CD1 TRP A 97 9.029 -15.136 -29.139 1.00 20.45 C ATOM 958 CD2 TRP A 97 10.310 -14.791 -27.331 1.00 16.40 C ATOM 959 NE1 TRP A 97 9.437 -13.830 -29.164 1.00 18.35 N ATOM 960 CE2 TRP A 97 10.224 -13.586 -28.064 1.00 17.97 C ATOM 961 CE3 TRP A 97 11.066 -14.817 -26.148 1.00 15.25 C ATOM 962 CZ2 TRP A 97 10.879 -12.434 -27.687 1.00 18.46 C ATOM 963 CZ3 TRP A 97 11.717 -13.671 -25.769 1.00 15.76 C ATOM 964 CH2 TRP A 97 11.606 -12.482 -26.520 1.00 15.55 C ATOM 965 HE1 TRP A 97 9.191 -13.134 -29.897 1.00 0.00 H ATOM 966 H TRP A 97 12.428 -17.274 -27.078 1.00 0.00 H ATOM 967 N ASP A 98 10.842 -18.499 -30.293 1.00 24.45 N ATOM 968 CA ASP A 98 11.224 -18.171 -31.682 1.00 24.88 C ATOM 969 C ASP A 98 12.719 -17.897 -31.822 1.00 24.59 C ATOM 970 O ASP A 98 13.144 -16.998 -32.551 1.00 28.09 O ATOM 971 CB ASP A 98 10.414 -16.983 -32.198 1.00 27.16 C ATOM 972 CG ASP A 98 8.946 -17.325 -32.382 1.00 32.75 C ATOM 973 OD1 ASP A 98 8.644 -18.515 -32.641 1.00 38.28 O ATOM 974 OD2 ASP A 98 8.096 -16.413 -32.283 1.00 38.73 O ATOM 975 H ASP A 98 10.272 -19.350 -30.113 1.00 0.00 H ATOM 976 N GLY A 99 13.525 -18.660 -31.103 1.00 25.26 N ATOM 977 CA GLY A 99 14.961 -18.450 -31.163 1.00 25.49 C ATOM 978 C GLY A 99 15.485 -17.249 -30.406 1.00 25.30 C ATOM 979 O GLY A 99 16.664 -16.919 -30.525 1.00 28.56 O ATOM 980 H GLY A 99 13.132 -19.408 -30.497 1.00 0.00 H ATOM 981 N LYS A 100 14.645 -16.577 -29.636 1.00 22.80 N ATOM 982 CA LYS A 100 15.008 -15.376 -28.903 1.00 18.44 C ATOM 983 C LYS A 100 14.932 -15.654 -27.410 1.00 17.48 C ATOM 984 O LYS A 100 14.342 -16.645 -26.975 1.00 16.64 O ATOM 985 CB LYS A 100 14.071 -14.234 -29.260 1.00 17.91 C ATOM 986 CG LYS A 100 14.294 -13.709 -30.672 1.00 24.63 C ATOM 987 CD LYS A 100 13.550 -12.441 -30.866 1.00 28.53 C ATOM 988 CE LYS A 100 12.113 -12.721 -31.138 1.00 29.68 C ATOM 989 NZ LYS A 100 12.042 -13.143 -32.571 1.00 34.14 N ATOM 990 HZ1 LYS A 100 12.397 -12.375 -33.175 1.00 0.00 H ATOM 991 HZ2 LYS A 100 12.625 -13.993 -32.710 1.00 0.00 H ATOM 992 HZ3 LYS A 100 11.055 -13.353 -32.821 1.00 0.00 H ATOM 993 H LYS A 100 13.670 -16.928 -29.550 1.00 0.00 H ATOM 994 N SER A 101 15.530 -14.753 -26.640 1.00 16.96 N ATOM 995 CA SER A 101 15.515 -14.895 -25.192 1.00 16.52 C ATOM 996 C SER A 101 15.528 -13.518 -24.547 1.00 17.06 C ATOM 997 O SER A 101 16.198 -12.610 -25.032 1.00 17.66 O ATOM 998 CB SER A 101 16.738 -15.707 -24.743 1.00 19.52 C ATOM 999 OG SER A 101 16.761 -15.898 -23.365 1.00 26.51 O ATOM 1000 HG SER A 101 16.790 -15.018 -22.912 1.00 0.00 H ATOM 1001 H SER A 101 16.012 -13.940 -27.075 1.00 0.00 H ATOM 1002 N THR A 102 14.798 -13.377 -23.437 1.00 13.75 N ATOM 1003 CA THR A 102 14.863 -12.165 -22.639 1.00 15.08 C ATOM 1004 C THR A 102 14.891 -12.575 -21.173 1.00 14.61 C ATOM 1005 O THR A 102 14.437 -13.663 -20.821 1.00 12.98 O ATOM 1006 CB THR A 102 13.682 -11.217 -22.978 1.00 14.70 C ATOM 1007 OG1 THR A 102 13.872 -9.949 -22.309 1.00 16.43 O ATOM 1008 CG2 THR A 102 12.355 -11.799 -22.543 1.00 15.78 C ATOM 1009 HG1 THR A 102 13.118 -9.346 -22.527 1.00 0.00 H ATOM 1010 H THR A 102 14.170 -14.151 -23.138 1.00 0.00 H ATOM 1011 N THR A 103 15.501 -11.747 -20.340 1.00 13.93 N ATOM 1012 CA THR A 103 15.666 -12.010 -18.911 1.00 14.28 C ATOM 1013 C THR A 103 15.020 -10.898 -18.115 1.00 15.52 C ATOM 1014 O THR A 103 15.220 -9.717 -18.417 1.00 16.27 O ATOM 1015 CB THR A 103 17.141 -12.143 -18.543 1.00 17.43 C ATOM 1016 OG1 THR A 103 17.687 -13.240 -19.263 1.00 20.21 O ATOM 1017 CG2 THR A 103 17.338 -12.383 -17.040 1.00 17.50 C ATOM 1018 HG1 THR A 103 18.645 -13.339 -19.034 1.00 0.00 H ATOM 1019 H THR A 103 15.885 -10.859 -20.723 1.00 0.00 H ATOM 1020 N ILE A 104 14.191 -11.277 -17.158 1.00 13.10 N ATOM 1021 CA ILE A 104 13.479 -10.348 -16.292 1.00 12.13 C ATOM 1022 C ILE A 104 13.930 -10.661 -14.878 1.00 11.66 C ATOM 1023 O ILE A 104 13.823 -11.805 -14.444 1.00 13.20 O ATOM 1024 CB ILE A 104 11.962 -10.545 -16.417 1.00 13.62 C ATOM 1025 CG1 ILE A 104 11.511 -10.325 -17.851 1.00 14.85 C ATOM 1026 CG2 ILE A 104 11.211 -9.603 -15.480 1.00 15.41 C ATOM 1027 CD1 ILE A 104 10.527 -11.374 -18.213 1.00 19.93 C ATOM 1028 H ILE A 104 14.039 -12.296 -17.016 1.00 0.00 H ATOM 1029 N LYS A 105 14.444 -9.666 -14.176 1.00 11.74 N ATOM 1030 CA LYS A 105 14.863 -9.855 -12.791 1.00 12.44 C ATOM 1031 C LYS A 105 13.929 -9.069 -11.894 1.00 13.66 C ATOM 1032 O LYS A 105 13.545 -7.946 -12.224 1.00 13.58 O ATOM 1033 CB LYS A 105 16.301 -9.371 -12.615 1.00 14.01 C ATOM 1034 CG LYS A 105 17.305 -10.265 -13.332 1.00 17.09 C ATOM 1035 CD LYS A 105 18.720 -9.820 -12.983 1.00 20.76 C ATOM 1036 CE LYS A 105 19.779 -10.694 -13.700 1.00 29.52 C ATOM 1037 NZ LYS A 105 21.174 -10.173 -13.436 1.00 36.25 N ATOM 1038 HZ1 LYS A 105 21.251 -9.197 -13.787 1.00 0.00 H ATOM 1039 HZ2 LYS A 105 21.361 -10.190 -12.413 1.00 0.00 H ATOM 1040 HZ3 LYS A 105 21.866 -10.775 -13.927 1.00 0.00 H ATOM 1041 H LYS A 105 14.552 -8.731 -14.619 1.00 0.00 H ATOM 1042 N ARG A 106 13.519 -9.663 -10.803 1.00 12.71 N ATOM 1043 CA ARG A 106 12.625 -9.034 -9.852 1.00 12.63 C ATOM 1044 C ARG A 106 13.330 -9.063 -8.515 1.00 13.92 C ATOM 1045 O ARG A 106 13.805 -10.122 -8.092 1.00 15.03 O ATOM 1046 CB ARG A 106 11.282 -9.777 -9.770 1.00 13.26 C ATOM 1047 CG ARG A 106 10.435 -9.755 -11.063 1.00 15.38 C ATOM 1048 CD ARG A 106 9.239 -10.680 -11.019 1.00 17.75 C ATOM 1049 NE ARG A 106 8.360 -10.616 -12.198 1.00 17.57 N ATOM 1050 CZ ARG A 106 8.421 -11.451 -13.229 1.00 18.65 C ATOM 1051 NH1 ARG A 106 9.364 -12.390 -13.339 1.00 15.94 N ATOM 1052 NH2 ARG A 106 7.510 -11.344 -14.190 1.00 17.54 N ATOM 1053 HE ARG A 106 7.641 -9.865 -12.226 1.00 0.00 H ATOM 1054 HH12 ARG A 106 9.374 -13.023 -14.164 1.00 0.00 H ATOM 1055 HH11 ARG A 106 10.089 -12.488 -12.600 1.00 0.00 H ATOM 1056 HH22 ARG A 106 7.538 -11.987 -15.007 1.00 0.00 H ATOM 1057 HH21 ARG A 106 6.769 -10.617 -14.125 1.00 0.00 H ATOM 1058 H ARG A 106 13.850 -10.630 -10.610 1.00 0.00 H ATOM 1059 N LYS A 107 13.430 -7.917 -7.865 1.00 15.05 N ATOM 1060 CA LYS A 107 14.129 -7.906 -6.597 1.00 16.31 C ATOM 1061 C LYS A 107 13.526 -6.887 -5.649 1.00 16.25 C ATOM 1062 O LYS A 107 12.895 -5.912 -6.040 1.00 16.48 O ATOM 1063 CB LYS A 107 15.607 -7.640 -6.775 1.00 21.69 C ATOM 1064 CG LYS A 107 15.902 -6.276 -7.142 1.00 23.25 C ATOM 1065 CD LYS A 107 17.339 -6.137 -7.687 1.00 35.41 C ATOM 1066 CE LYS A 107 17.419 -6.458 -9.177 1.00 35.85 C ATOM 1067 NZ LYS A 107 18.831 -6.614 -9.658 1.00 38.53 N ATOM 1068 HZ1 LYS A 107 19.352 -5.729 -9.493 1.00 0.00 H ATOM 1069 HZ2 LYS A 107 19.289 -7.390 -9.138 1.00 0.00 H ATOM 1070 HZ3 LYS A 107 18.827 -6.831 -10.675 1.00 0.00 H ATOM 1071 H LYS A 107 13.017 -7.045 -8.254 1.00 0.00 H ATOM 1072 N ARG A 108 13.746 -7.122 -4.374 1.00 16.42 N ATOM 1073 CA ARG A 108 13.297 -6.180 -3.373 1.00 16.93 C ATOM 1074 C ARG A 108 14.392 -5.169 -3.079 1.00 20.38 C ATOM 1075 O ARG A 108 15.561 -5.528 -2.892 1.00 22.45 O ATOM 1076 CB ARG A 108 12.921 -6.945 -2.116 1.00 19.44 C ATOM 1077 CG ARG A 108 11.575 -7.608 -2.197 1.00 20.40 C ATOM 1078 CD ARG A 108 10.427 -6.560 -1.989 1.00 22.46 C ATOM 1079 NE ARG A 108 10.683 -5.526 -0.945 1.00 24.12 N ATOM 1080 CZ ARG A 108 10.404 -5.645 0.358 1.00 26.47 C ATOM 1081 NH1 ARG A 108 9.848 -6.741 0.849 1.00 27.39 N ATOM 1082 NH2 ARG A 108 10.713 -4.675 1.190 1.00 28.15 N ATOM 1083 HE ARG A 108 11.117 -4.634 -1.258 1.00 0.00 H ATOM 1084 HH12 ARG A 108 9.641 -6.808 1.866 1.00 0.00 H ATOM 1085 HH11 ARG A 108 9.618 -7.535 0.218 1.00 0.00 H ATOM 1086 HH22 ARG A 108 10.495 -4.769 2.203 1.00 0.00 H ATOM 1087 HH21 ARG A 108 11.175 -3.813 0.836 1.00 0.00 H ATOM 1088 H ARG A 108 14.244 -7.988 -4.085 1.00 0.00 H ATOM 1089 N GLU A 109 14.018 -3.901 -3.062 1.00 17.23 N ATOM 1090 CA GLU A 109 14.962 -2.833 -2.772 1.00 20.29 C ATOM 1091 C GLU A 109 14.225 -1.818 -1.939 1.00 18.03 C ATOM 1092 O GLU A 109 13.241 -1.264 -2.396 1.00 17.60 O ATOM 1093 CB GLU A 109 15.492 -2.160 -4.034 1.00 24.05 C ATOM 1094 CG GLU A 109 15.976 -3.124 -5.116 1.00 28.45 C ATOM 1095 CD GLU A 109 17.328 -2.708 -5.660 1.00 37.39 C ATOM 1096 OE1 GLU A 109 18.042 -1.963 -4.939 1.00 41.99 O ATOM 1097 OE2 GLU A 109 17.664 -3.118 -6.804 1.00 42.77 O ATOM 1098 H GLU A 109 13.026 -3.662 -3.261 1.00 0.00 H ATOM 1099 N ASP A 110 14.737 -1.533 -0.747 1.00 18.38 N ATOM 1100 CA ASP A 110 13.991 -0.730 0.233 1.00 17.89 C ATOM 1101 C ASP A 110 12.570 -1.311 0.310 1.00 16.12 C ATOM 1102 O ASP A 110 12.420 -2.526 0.423 1.00 17.41 O ATOM 1103 CB ASP A 110 14.100 0.762 -0.100 1.00 20.93 C ATOM 1104 CG ASP A 110 15.540 1.244 -0.049 1.00 27.49 C ATOM 1105 OD1 ASP A 110 16.315 0.684 0.763 1.00 28.17 O ATOM 1106 OD2 ASP A 110 15.910 2.150 -0.838 1.00 33.27 O ATOM 1107 H ASP A 110 15.684 -1.885 -0.502 1.00 0.00 H ATOM 1108 N ASP A 111 11.526 -0.498 0.246 1.00 17.66 N ATOM 1109 CA ASP A 111 10.149 -0.965 0.281 1.00 19.06 C ATOM 1110 C ASP A 111 9.576 -1.200 -1.099 1.00 18.54 C ATOM 1111 O ASP A 111 8.361 -1.365 -1.251 1.00 21.04 O ATOM 1112 CB ASP A 111 9.274 0.044 1.014 1.00 19.55 C ATOM 1113 CG ASP A 111 9.559 0.077 2.492 1.00 19.14 C ATOM 1114 OD1 ASP A 111 9.686 -0.998 3.096 1.00 20.49 O ATOM 1115 OD2 ASP A 111 9.638 1.214 3.015 1.00 20.32 O ATOM 1116 H ASP A 111 11.700 0.524 0.167 1.00 0.00 H ATOM 1117 N LYS A 112 10.423 -1.226 -2.109 1.00 15.89 N ATOM 1118 CA LYS A 112 9.975 -1.358 -3.486 1.00 15.32 C ATOM 1119 C LYS A 112 10.252 -2.758 -4.024 1.00 16.36 C ATOM 1120 O LYS A 112 11.057 -3.536 -3.496 1.00 14.97 O ATOM 1121 CB LYS A 112 10.682 -0.332 -4.377 1.00 15.98 C ATOM 1122 CG LYS A 112 10.503 1.134 -3.887 1.00 22.92 C ATOM 1123 CD LYS A 112 11.355 2.118 -4.675 1.00 28.84 C ATOM 1124 CE LYS A 112 11.211 3.496 -4.075 1.00 34.30 C ATOM 1125 NZ LYS A 112 9.758 3.739 -3.755 1.00 36.53 N ATOM 1126 HZ1 LYS A 112 9.197 3.674 -4.628 1.00 0.00 H ATOM 1127 HZ2 LYS A 112 9.429 3.023 -3.076 1.00 0.00 H ATOM 1128 HZ3 LYS A 112 9.649 4.687 -3.341 1.00 0.00 H ATOM 1129 H LYS A 112 11.442 -1.150 -1.915 1.00 0.00 H ATOM 1130 N LEU A 113 9.543 -3.072 -5.089 1.00 14.48 N ATOM 1131 CA LEU A 113 9.854 -4.224 -5.912 1.00 14.56 C ATOM 1132 C LEU A 113 10.317 -3.700 -7.270 1.00 14.30 C ATOM 1133 O LEU A 113 9.568 -2.991 -7.969 1.00 15.79 O ATOM 1134 CB LEU A 113 8.644 -5.149 -6.016 1.00 16.35 C ATOM 1135 CG LEU A 113 8.862 -6.526 -6.694 1.00 18.30 C ATOM 1136 CD1 LEU A 113 7.780 -7.493 -6.270 1.00 22.99 C ATOM 1137 CD2 LEU A 113 8.823 -6.300 -8.124 1.00 23.06 C ATOM 1138 H LEU A 113 8.733 -2.473 -5.348 1.00 0.00 H ATOM 1139 N VAL A 114 11.563 -4.002 -7.616 1.00 13.44 N ATOM 1140 CA VAL A 114 12.200 -3.470 -8.823 1.00 12.97 C ATOM 1141 C VAL A 114 12.237 -4.583 -9.868 1.00 13.69 C ATOM 1142 O VAL A 114 12.652 -5.707 -9.571 1.00 14.98 O ATOM 1143 CB VAL A 114 13.611 -2.928 -8.507 1.00 17.74 C ATOM 1144 CG1 VAL A 114 14.351 -2.443 -9.766 1.00 17.54 C ATOM 1145 CG2 VAL A 114 13.526 -1.775 -7.495 1.00 19.29 C ATOM 1146 H VAL A 114 12.109 -4.642 -7.005 1.00 0.00 H ATOM 1147 N VAL A 115 11.758 -4.291 -11.069 1.00 14.48 N ATOM 1148 CA VAL A 115 11.749 -5.260 -12.174 1.00 12.26 C ATOM 1149 C VAL A 115 12.662 -4.719 -13.268 1.00 14.92 C ATOM 1150 O VAL A 115 12.405 -3.649 -13.808 1.00 16.41 O ATOM 1151 CB VAL A 115 10.335 -5.501 -12.725 1.00 13.71 C ATOM 1152 CG1 VAL A 115 10.385 -6.584 -13.781 1.00 15.09 C ATOM 1153 CG2 VAL A 115 9.337 -5.879 -11.639 1.00 16.60 C ATOM 1154 H VAL A 115 11.374 -3.339 -11.236 1.00 0.00 H ATOM 1155 N GLU A 116 13.712 -5.446 -13.594 1.00 13.28 N ATOM 1156 CA GLU A 116 14.689 -5.049 -14.594 1.00 14.12 C ATOM 1157 C GLU A 116 14.665 -6.080 -15.699 1.00 16.16 C ATOM 1158 O GLU A 116 14.850 -7.267 -15.433 1.00 17.14 O ATOM 1159 CB GLU A 116 16.110 -4.964 -14.019 1.00 17.82 C ATOM 1160 CG GLU A 116 16.351 -3.884 -13.027 1.00 25.85 C ATOM 1161 CD GLU A 116 17.760 -3.989 -12.459 1.00 35.62 C ATOM 1162 OE1 GLU A 116 18.435 -2.939 -12.312 1.00 40.99 O ATOM 1163 OE2 GLU A 116 18.194 -5.142 -12.190 1.00 40.90 O ATOM 1164 H GLU A 116 13.849 -6.355 -13.108 1.00 0.00 H ATOM 1165 N CYS A 117 14.418 -5.658 -16.914 1.00 14.08 N ATOM 1166 CA CYS A 117 14.431 -6.642 -17.987 1.00 15.32 C ATOM 1167 C CYS A 117 15.465 -6.255 -19.034 1.00 15.72 C ATOM 1168 O CYS A 117 15.831 -5.087 -19.161 1.00 17.31 O ATOM 1169 CB CYS A 117 13.037 -6.795 -18.619 1.00 14.70 C ATOM 1170 SG CYS A 117 12.413 -5.202 -19.185 1.00 17.94 S ATOM 1171 H CYS A 117 14.220 -4.655 -17.106 1.00 0.00 H ATOM 1172 N VAL A 118 15.965 -7.243 -19.753 1.00 15.58 N ATOM 1173 CA VAL A 118 16.977 -6.966 -20.761 1.00 15.51 C ATOM 1174 C VAL A 118 16.685 -7.804 -21.991 1.00 17.17 C ATOM 1175 O VAL A 118 16.321 -8.978 -21.875 1.00 16.93 O ATOM 1176 CB VAL A 118 18.411 -7.218 -20.238 1.00 20.13 C ATOM 1177 CG1 VAL A 118 18.601 -8.632 -19.725 1.00 24.75 C ATOM 1178 CG2 VAL A 118 19.448 -6.800 -21.344 1.00 23.16 C ATOM 1179 H VAL A 118 15.636 -8.218 -19.599 1.00 0.00 H ATOM 1180 N MET A 119 16.820 -7.187 -23.157 1.00 18.46 N ATOM 1181 CA MET A 119 16.736 -7.867 -24.456 1.00 17.87 C ATOM 1182 C MET A 119 17.827 -7.282 -25.348 1.00 22.44 C ATOM 1183 O MET A 119 17.794 -6.082 -25.649 1.00 22.22 O ATOM 1184 CB MET A 119 15.350 -7.641 -25.076 1.00 19.42 C ATOM 1185 CG MET A 119 15.150 -8.133 -26.516 1.00 22.52 C ATOM 1186 SD MET A 119 14.878 -9.880 -26.412 1.00 22.72 S ATOM 1187 CE MET A 119 14.767 -10.383 -28.136 1.00 23.33 C ATOM 1188 H MET A 119 16.996 -6.162 -23.151 1.00 0.00 H ATOM 1189 N LYS A 120 18.788 -8.117 -25.780 1.00 24.38 N ATOM 1190 CA LYS A 120 19.830 -7.704 -26.753 1.00 25.57 C ATOM 1191 C LYS A 120 20.436 -6.340 -26.393 1.00 24.41 C ATOM 1192 O LYS A 120 20.565 -5.446 -27.234 1.00 26.79 O ATOM 1193 CB LYS A 120 19.288 -7.655 -28.176 1.00 27.20 C ATOM 1194 CG LYS A 120 18.747 -8.954 -28.742 1.00 29.25 C ATOM 1195 CD LYS A 120 17.432 -8.616 -29.456 1.00 31.28 C ATOM 1196 CE LYS A 120 17.348 -9.234 -30.836 1.00 36.13 C ATOM 1197 NZ LYS A 120 15.929 -9.294 -31.309 1.00 38.00 N ATOM 1198 HZ1 LYS A 120 15.369 -9.871 -30.649 1.00 0.00 H ATOM 1199 HZ2 LYS A 120 15.537 -8.331 -31.349 1.00 0.00 H ATOM 1200 HZ3 LYS A 120 15.899 -9.721 -32.257 1.00 0.00 H ATOM 1201 H LYS A 120 18.802 -9.092 -25.418 1.00 0.00 H ATOM 1202 N GLY A 121 20.811 -6.187 -25.137 1.00 25.83 N ATOM 1203 CA GLY A 121 21.487 -4.978 -24.708 1.00 22.71 C ATOM 1204 C GLY A 121 20.591 -3.808 -24.335 1.00 21.28 C ATOM 1205 O GLY A 121 21.107 -2.795 -23.852 1.00 19.91 O ATOM 1206 H GLY A 121 20.620 -6.942 -24.447 1.00 0.00 H ATOM 1207 N VAL A 122 19.287 -3.910 -24.550 1.00 18.47 N ATOM 1208 CA VAL A 122 18.335 -2.873 -24.162 1.00 18.35 C ATOM 1209 C VAL A 122 17.703 -3.265 -22.827 1.00 19.52 C ATOM 1210 O VAL A 122 17.094 -4.334 -22.732 1.00 17.81 O ATOM 1211 CB VAL A 122 17.260 -2.705 -25.239 1.00 18.43 C ATOM 1212 CG1 VAL A 122 16.212 -1.730 -24.776 1.00 18.32 C ATOM 1213 CG2 VAL A 122 17.898 -2.248 -26.580 1.00 20.30 C ATOM 1214 H VAL A 122 18.926 -4.767 -25.016 1.00 0.00 H ATOM 1215 N THR A 123 17.796 -2.403 -21.810 1.00 17.43 N ATOM 1216 CA THR A 123 17.245 -2.685 -20.491 1.00 18.96 C ATOM 1217 C THR A 123 16.087 -1.747 -20.209 1.00 17.59 C ATOM 1218 O THR A 123 16.048 -0.625 -20.710 1.00 20.23 O ATOM 1219 CB THR A 123 18.333 -2.538 -19.406 1.00 19.56 C ATOM 1220 OG1 THR A 123 19.348 -3.523 -19.676 1.00 25.01 O ATOM 1221 CG2 THR A 123 17.803 -2.779 -17.979 1.00 23.97 C ATOM 1222 HG1 THR A 123 19.731 -3.363 -20.575 1.00 0.00 H ATOM 1223 H THR A 123 18.280 -1.496 -21.966 1.00 0.00 H ATOM 1224 N SER A 124 15.150 -2.210 -19.403 1.00 16.70 N ATOM 1225 CA SER A 124 14.114 -1.345 -18.868 1.00 14.93 C ATOM 1226 C SER A 124 13.986 -1.628 -17.387 1.00 15.27 C ATOM 1227 O SER A 124 14.261 -2.739 -16.926 1.00 15.08 O ATOM 1228 CB SER A 124 12.808 -1.600 -19.599 1.00 15.82 C ATOM 1229 OG SER A 124 11.719 -1.037 -18.929 1.00 16.27 O ATOM 1230 HG SER A 124 11.848 -0.058 -18.855 1.00 0.00 H ATOM 1231 H SER A 124 15.154 -3.218 -19.145 1.00 0.00 H ATOM 1232 N THR A 125 13.640 -0.605 -16.629 1.00 14.36 N ATOM 1233 CA THR A 125 13.430 -0.726 -15.187 1.00 14.17 C ATOM 1234 C THR A 125 12.018 -0.280 -14.865 1.00 15.35 C ATOM 1235 O THR A 125 11.619 0.836 -15.224 1.00 14.94 O ATOM 1236 CB THR A 125 14.454 0.122 -14.412 1.00 16.66 C ATOM 1237 OG1 THR A 125 15.771 -0.280 -14.782 1.00 19.23 O ATOM 1238 CG2 THR A 125 14.335 -0.067 -12.904 1.00 18.12 C ATOM 1239 HG1 THR A 125 15.895 -0.145 -15.755 1.00 0.00 H ATOM 1240 H THR A 125 13.511 0.325 -17.075 1.00 0.00 H ATOM 1241 N ARG A 126 11.283 -1.111 -14.145 1.00 13.23 N ATOM 1242 CA ARG A 126 9.922 -0.814 -13.721 1.00 11.71 C ATOM 1243 C ARG A 126 9.871 -0.982 -12.211 1.00 13.67 C ATOM 1244 O ARG A 126 10.351 -1.986 -11.675 1.00 16.00 O ATOM 1245 CB ARG A 126 8.912 -1.704 -14.451 1.00 13.42 C ATOM 1246 CG ARG A 126 8.654 -1.137 -15.867 1.00 13.44 C ATOM 1247 CD ARG A 126 8.169 -2.198 -16.812 1.00 14.96 C ATOM 1248 NE ARG A 126 6.790 -2.665 -16.569 1.00 16.51 N ATOM 1249 CZ ARG A 126 5.699 -2.042 -17.012 1.00 17.48 C ATOM 1250 NH1 ARG A 126 5.817 -0.875 -17.618 1.00 16.37 N ATOM 1251 NH2 ARG A 126 4.484 -2.593 -16.839 1.00 17.93 N ATOM 1252 HE ARG A 126 6.662 -3.537 -16.016 1.00 0.00 H ATOM 1253 HH12 ARG A 126 4.970 -0.382 -17.967 1.00 0.00 H ATOM 1254 HH11 ARG A 126 6.757 -0.449 -17.747 1.00 0.00 H ATOM 1255 HH22 ARG A 126 3.636 -2.102 -17.187 1.00 0.00 H ATOM 1256 HH21 ARG A 126 4.393 -3.510 -16.357 1.00 0.00 H ATOM 1257 H ARG A 126 11.698 -2.023 -13.867 1.00 0.00 H ATOM 1258 N VAL A 127 9.369 0.020 -11.509 1.00 12.70 N ATOM 1259 CA VAL A 127 9.394 0.010 -10.057 1.00 13.46 C ATOM 1260 C VAL A 127 7.973 -0.065 -9.532 1.00 13.13 C ATOM 1261 O VAL A 127 7.092 0.685 -10.005 1.00 13.63 O ATOM 1262 CB VAL A 127 10.114 1.251 -9.505 1.00 12.68 C ATOM 1263 CG1 VAL A 127 10.102 1.238 -7.940 1.00 15.75 C ATOM 1264 CG2 VAL A 127 11.531 1.323 -10.041 1.00 16.87 C ATOM 1265 H VAL A 127 8.948 0.831 -12.006 1.00 0.00 H ATOM 1266 N TYR A 128 7.752 -0.955 -8.573 1.00 12.61 N ATOM 1267 CA TYR A 128 6.465 -1.121 -7.913 1.00 13.04 C ATOM 1268 C TYR A 128 6.577 -0.783 -6.442 1.00 14.01 C ATOM 1269 O TYR A 128 7.597 -1.034 -5.819 1.00 14.40 O ATOM 1270 CB TYR A 128 5.960 -2.561 -8.025 1.00 12.94 C ATOM 1271 CG TYR A 128 5.600 -2.982 -9.438 1.00 13.04 C ATOM 1272 CD1 TYR A 128 6.585 -3.272 -10.373 1.00 14.31 C ATOM 1273 CD2 TYR A 128 4.264 -3.133 -9.791 1.00 13.05 C ATOM 1274 CE1 TYR A 128 6.234 -3.677 -11.699 1.00 14.19 C ATOM 1275 CE2 TYR A 128 3.895 -3.570 -11.086 1.00 13.50 C ATOM 1276 CZ TYR A 128 4.877 -3.802 -12.016 1.00 15.91 C ATOM 1277 OH TYR A 128 4.470 -4.202 -13.271 1.00 15.41 O ATOM 1278 HH TYR A 128 5.264 -4.336 -13.847 1.00 0.00 H ATOM 1279 H TYR A 128 8.540 -1.566 -8.277 1.00 0.00 H ATOM 1280 N GLU A 129 5.507 -0.236 -5.898 1.00 15.08 N ATOM 1281 CA GLU A 129 5.394 0.018 -4.467 1.00 14.85 C ATOM 1282 C GLU A 129 4.230 -0.760 -3.882 1.00 16.23 C ATOM 1283 O GLU A 129 3.358 -1.224 -4.601 1.00 16.26 O ATOM 1284 CB GLU A 129 5.174 1.516 -4.209 1.00 19.72 C ATOM 1285 CG GLU A 129 6.426 2.255 -4.411 1.00 26.05 C ATOM 1286 CD GLU A 129 6.257 3.751 -4.294 1.00 33.44 C ATOM 1287 OE1 GLU A 129 5.098 4.246 -4.160 1.00 35.87 O ATOM 1288 OE2 GLU A 129 7.308 4.424 -4.355 1.00 34.78 O ATOM 1289 H GLU A 129 4.712 0.025 -6.515 1.00 0.00 H ATOM 1290 N ARG A 130 4.190 -0.882 -2.547 1.00 16.36 N ATOM 1291 CA ARG A 130 3.091 -1.617 -1.938 1.00 17.47 C ATOM 1292 C ARG A 130 1.793 -0.899 -2.217 1.00 20.59 C ATOM 1293 O ARG A 130 1.722 0.332 -2.148 1.00 22.21 O ATOM 1294 CB ARG A 130 3.280 -1.713 -0.430 1.00 19.74 C ATOM 1295 CG ARG A 130 4.503 -2.467 -0.029 1.00 22.07 C ATOM 1296 CD ARG A 130 4.195 -3.895 0.092 1.00 23.27 C ATOM 1297 NE ARG A 130 5.332 -4.647 0.644 1.00 24.43 N ATOM 1298 CZ ARG A 130 5.347 -5.974 0.753 1.00 20.54 C ATOM 1299 NH1 ARG A 130 4.289 -6.674 0.390 1.00 21.53 N ATOM 1300 NH2 ARG A 130 6.434 -6.600 1.216 1.00 21.64 N ATOM 1301 HE ARG A 130 6.166 -4.116 0.965 1.00 0.00 H ATOM 1302 HH12 ARG A 130 4.298 -7.711 0.474 1.00 0.00 H ATOM 1303 HH11 ARG A 130 3.447 -6.189 0.020 1.00 0.00 H ATOM 1304 HH22 ARG A 130 6.441 -7.637 1.299 1.00 0.00 H ATOM 1305 HH21 ARG A 130 7.272 -6.050 1.493 1.00 0.00 H ATOM 1306 H ARG A 130 4.933 -0.458 -1.956 1.00 0.00 H ATOM 1307 N ALA A 131 0.763 -1.657 -2.523 1.00 19.21 N ATOM 1308 CA ALA A 131 -0.486 -1.035 -2.916 1.00 25.57 C ATOM 1309 C ALA A 131 -1.316 -0.738 -1.682 1.00 30.04 C ATOM 1310 O ALA A 131 -0.915 -1.106 -0.567 1.00 34.61 O ATOM 1311 CB ALA A 131 -1.240 -1.930 -3.890 1.00 23.46 C ATOM 1312 H ALA A 131 0.844 -2.693 -2.483 1.00 0.00 H TER 1313 ALA A 131 HETATM 1314 O HOH 1 12.336 3.705 -24.554 1.00 21.47 O HETATM 1315 O HOH 2 -6.666 -4.733 -23.553 1.00 34.26 O HETATM 1316 O HOH 3 9.261 -3.505 2.886 1.00 31.18 O HETATM 1317 O HOH 4 -1.859 -20.256 -11.829 1.00 28.39 O HETATM 1318 O HOH 5 4.119 -27.697 -23.005 1.00 26.40 O HETATM 1319 O HOH 6 -9.091 -1.585 -20.422 1.00 22.24 O HETATM 1320 O HOH 7 5.680 -16.186 5.470 1.00 33.31 O HETATM 1321 O HOH 8 1.043 -6.680 -16.755 1.00 21.12 O HETATM 1322 O HOH 9 -0.814 -18.706 -4.112 1.00 27.17 O HETATM 1323 O HOH 10 19.761 -14.731 -18.798 1.00 35.83 O HETATM 1324 O HOH 11 10.570 -7.589 3.202 1.00 33.88 O HETATM 1325 O HOH 12 -1.507 0.224 -10.399 1.00 28.08 O HETATM 1326 O HOH 13 6.845 -27.391 -12.456 1.00 23.02 O HETATM 1327 O HOH 14 2.522 -13.738 -17.892 1.00 24.39 O HETATM 1328 O HOH 15 -1.173 -6.043 -17.982 1.00 25.16 O HETATM 1329 O HOH 16 9.760 -23.221 -5.730 1.00 19.41 O HETATM 1330 O HOH 17 -0.381 5.600 -17.650 1.00 26.67 O HETATM 1331 O HOH 18 6.297 0.321 -1.164 1.00 24.77 O HETATM 1332 O HOH 19 -3.547 1.730 -19.425 1.00 19.62 O HETATM 1333 O HOH 20 6.014 -12.620 -16.684 1.00 20.25 O HETATM 1334 O HOH 21 21.273 -1.845 -21.351 1.00 28.72 O HETATM 1335 O HOH 22 3.738 -9.066 -15.203 1.00 28.54 O HETATM 1336 O HOH 23 2.975 -0.783 -18.530 1.00 20.29 O HETATM 1337 O HOH 24 1.130 -20.073 -5.307 1.00 20.08 O HETATM 1338 O HOH 25 19.724 -10.149 -2.130 1.00 27.89 O HETATM 1339 O HOH 26 -3.577 0.981 -22.033 1.00 17.15 O HETATM 1340 O HOH 27 2.659 -6.506 -13.154 1.00 24.96 O HETATM 1341 O HOH 28 13.463 -26.629 -15.828 1.00 18.61 O HETATM 1342 O HOH 29 1.654 -9.507 -17.244 1.00 21.98 O HETATM 1343 O HOH 30 6.336 -18.966 -29.675 1.00 31.97 O HETATM 1344 O HOH 31 15.418 -9.292 -3.439 1.00 25.60 O HETATM 1345 O HOH 32 4.610 -9.332 -29.061 1.00 25.23 O HETATM 1346 O HOH 33 17.799 -0.775 2.577 1.00 25.28 O HETATM 1347 O HOH 34 12.547 -28.562 -8.067 1.00 33.33 O HETATM 1348 O HOH 35 14.549 -24.871 -17.794 1.00 23.98 O HETATM 1349 O HOH 36 8.777 -11.390 -30.731 1.00 28.46 O HETATM 1350 O HOH 37 6.289 -9.374 1.792 1.00 22.85 O HETATM 1351 O HOH 38 4.503 -24.102 -13.602 1.00 16.73 O HETATM 1352 O HOH 39 21.356 -17.984 -4.303 1.00 28.36 O HETATM 1353 O HOH 40 5.124 -22.299 -24.471 1.00 25.38 O HETATM 1354 O HOH 41 11.973 -12.395 -12.331 1.00 15.02 O HETATM 1355 O HOH 42 10.383 -21.903 -13.103 1.00 14.01 O HETATM 1356 O HOH 43 17.917 -13.620 -22.029 1.00 25.78 O HETATM 1357 O HOH 44 5.962 -27.309 -15.758 1.00 27.37 O HETATM 1358 O HOH 45 1.715 -12.663 -14.411 1.00 21.24 O HETATM 1359 O HOH 46 3.424 -5.333 -16.154 1.00 26.19 O HETATM 1360 O HOH 47 14.988 -1.063 -29.232 1.00 28.30 O HETATM 1361 O HOH 48 9.262 -9.949 -21.414 1.00 15.69 O HETATM 1362 O HOH 49 -6.965 -9.873 -19.801 1.00 33.28 O HETATM 1363 O HOH 50 0.130 -3.596 0.297 1.00 30.18 O HETATM 1364 O HOH 51 3.893 -3.131 -35.558 1.00 30.32 O HETATM 1365 O HOH 52 -8.023 -5.499 -14.765 1.00 31.35 O HETATM 1366 O HOH 53 15.315 5.681 -19.327 1.00 29.73 O HETATM 1367 O HOH 54 2.401 4.203 -24.511 1.00 28.82 O HETATM 1368 O HOH 55 9.223 -30.199 -7.415 1.00 36.68 O HETATM 1369 O HOH 56 7.164 3.636 -30.215 1.00 34.74 O HETATM 1370 O HOH 57 18.478 -10.963 -25.572 1.00 30.64 O HETATM 1371 O HOH 58 6.118 -8.984 -13.070 1.00 27.28 O HETATM 1372 O HOH 59 8.765 -20.470 -30.099 1.00 30.71 O HETATM 1373 O HOH 60 12.786 -21.532 -20.267 1.00 24.45 O HETATM 1374 O HOH 61 11.672 3.011 -13.345 1.00 21.06 O HETATM 1375 O HOH 62 4.870 2.476 -25.304 1.00 29.40 O HETATM 1376 O HOH 63 16.147 -18.734 -14.425 1.00 21.13 O HETATM 1377 O HOH 64 11.355 5.978 -20.594 1.00 28.20 O HETATM 1378 O HOH 65 4.016 -27.110 -2.800 1.00 26.55 O HETATM 1379 O HOH 66 2.965 -11.226 -19.024 1.00 19.12 O HETATM 1380 O HOH 67 -2.179 -15.473 -17.801 1.00 24.62 O HETATM 1381 O HOH 68 7.098 -24.553 -12.802 1.00 15.65 O HETATM 1382 O HOH 69 7.710 6.417 -15.224 1.00 29.61 O HETATM 1383 O HOH 70 16.251 -21.352 -7.578 1.00 25.22 O HETATM 1384 O HOH 71 1.588 -16.035 0.094 1.00 20.63 O HETATM 1385 O HOH 72 -0.831 -14.278 -6.501 1.00 20.90 O HETATM 1386 O HOH 73 15.774 2.479 3.005 1.00 25.02 O HETATM 1387 O HOH 74 1.511 -5.828 -0.016 1.00 22.45 O HETATM 1388 O HOH 75 8.951 3.167 -19.945 1.00 20.95 O HETATM 1389 O HOH 76 15.015 5.898 -22.030 1.00 23.44 O HETATM 1390 O HOH 77 11.288 2.356 -0.507 1.00 26.15 O HETATM 1391 O HOH 78 0.739 -18.122 -18.939 1.00 24.54 O HETATM 1392 O HOH 79 5.679 1.802 -19.799 1.00 29.59 O HETATM 1393 O HOH 80 9.149 -4.395 -32.562 1.00 28.07 O HETATM 1394 O HOH 81 0.095 -15.605 -18.277 1.00 29.46 O HETATM 1395 O HOH 82 0.566 -4.594 -32.141 1.00 25.62 O HETATM 1396 O HOH 83 11.191 -3.612 -16.568 1.00 20.98 O HETATM 1397 O HOH 84 -8.064 -6.120 -18.556 1.00 37.11 O HETATM 1398 O HOH 85 10.020 4.080 -22.816 1.00 27.22 O HETATM 1399 O HOH 86 4.742 -16.330 -29.852 1.00 26.27 O HETATM 1400 O HOH 87 2.409 -22.157 2.271 1.00 31.57 O HETATM 1401 O HOH 88 -2.598 -8.020 0.362 1.00 20.89 O HETATM 1402 O HOH 89 18.706 -16.903 -2.878 1.00 27.34 O HETATM 1403 O HOH 90 17.576 -12.884 -28.093 1.00 28.06 O HETATM 1404 O HOH 91 10.674 5.044 -8.611 1.00 37.16 O HETATM 1405 O HOH 92 -2.572 -19.544 -1.902 1.00 26.73 O HETATM 1406 O HOH 93 17.570 -8.739 -16.310 1.00 28.31 O HETATM 1407 O HOH 94 16.466 1.495 -17.397 1.00 32.28 O HETATM 1408 O HOH 95 2.753 -7.711 -30.283 1.00 32.79 O HETATM 1409 O HOH 96 4.169 -11.833 -14.677 1.00 29.82 O HETATM 1410 O HOH 97 7.623 2.878 -1.108 1.00 33.40 O HETATM 1411 O HOH 98 5.119 -28.489 -25.812 1.00 35.67 O HETATM 1412 O HOH 99 16.712 5.442 -17.231 1.00 30.68 O HETATM 1413 O HOH 100 11.503 -25.237 -5.035 1.00 32.38 O HETATM 1414 C4 UNN A 101 3.498 -6.116 -20.464 1.00 0.10 C HETATM 1415 C5 UNN A 101 4.460 -6.484 -21.447 1.00 0.02 C HETATM 1416 C6 UNN A 101 5.287 -7.615 -21.184 1.00 0.00 C HETATM 1417 C10 UNN A 101 6.258 -8.005 -22.134 1.00 -0.06 C HETATM 1418 C9 UNN A 101 6.390 -7.315 -23.301 1.00 -0.06 C HETATM 1419 C8 UNN A 101 5.546 -6.224 -23.572 1.00 -0.06 C HETATM 1420 C7 UNN A 101 4.614 -5.793 -22.668 1.00 -0.05 C HETATM 1421 H4 UNN A 101 3.999 -4.928 -22.888 1.00 0.06 H HETATM 1422 H5 UNN A 101 5.636 -5.711 -24.523 1.00 0.06 H HETATM 1423 H6 UNN A 101 7.146 -7.607 -24.021 1.00 0.06 H HETATM 1424 H7 UNN A 101 6.899 -8.855 -21.933 1.00 0.06 H HETATM 1425 C1 UNN A 101 5.120 -8.312 -19.949 1.00 0.11 C HETATM 1426 C2 UNN A 101 4.203 -7.901 -19.019 1.00 -0.05 C HETATM 1427 C3 UNN A 101 3.394 -6.792 -19.282 1.00 -0.03 C HETATM 1428 H10 UNN A 101 2.676 -6.465 -18.539 1.00 0.05 H HETATM 1429 H13 UNN A 101 4.105 -8.435 -18.081 1.00 0.06 H HETATM 1430 S1 UNN A 101 6.128 -9.700 -19.481 1.00 0.08 S HETATM 1431 N1 UNN A 101 7.620 -9.132 -19.144 1.00 -0.19 N HETATM 1432 C12 UNN A 101 7.879 -8.073 -18.220 1.00 0.10 C HETATM 1433 C13 UNN A 101 6.978 -7.691 -17.216 1.00 -0.03 C HETATM 1434 C14 UNN A 101 7.270 -6.596 -16.412 1.00 -0.01 C HETATM 1435 C15 UNN A 101 8.451 -5.897 -16.603 1.00 -0.07 C HETATM 1436 C16 UNN A 101 9.334 -6.246 -17.611 1.00 -0.04 C HETATM 1437 C17 UNN A 101 9.025 -7.324 -18.405 1.00 0.15 C HETATM 1438 F1 UNN A 101 9.885 -7.690 -19.391 1.00 -0.19 F HETATM 1439 H12 UNN A 101 10.246 -5.683 -17.770 1.00 0.06 H HETATM 1440 H11 UNN A 101 8.688 -5.063 -15.952 1.00 0.05 H HETATM 1441 C18 UNN A 101 6.302 -6.169 -15.339 1.00 0.06 C HETATM 1442 O4 UNN A 101 5.404 -6.974 -14.987 1.00 -0.56 O HETATM 1443 O5 UNN A 101 6.361 -4.983 -14.956 1.00 -0.56 O HETATM 1444 H8 UNN A 101 6.059 -8.247 -17.068 1.00 0.05 H HETATM 1445 H9 UNN A 101 8.399 -9.550 -19.612 1.00 0.21 H HETATM 1446 O2 UNN A 101 6.279 -10.611 -20.570 1.00 -0.15 O HETATM 1447 O3 UNN A 101 5.595 -10.249 -18.265 1.00 -0.15 O HETATM 1448 O1 UNN A 101 2.755 -5.012 -20.761 1.00 -0.32 O HETATM 1449 C11 UNN A 101 2.103 -4.375 -19.657 1.00 0.06 C HETATM 1450 H1 UNN A 101 1.538 -3.503 -20.018 1.00 0.06 H HETATM 1451 H2 UNN A 101 2.857 -4.047 -18.926 1.00 0.06 H HETATM 1452 H3 UNN A 101 1.413 -5.086 -19.179 1.00 0.06 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1414 1415 1427 1448 CONECT 1415 1414 1416 1420 CONECT 1416 1415 1417 1425 CONECT 1417 1416 1418 1424 CONECT 1418 1417 1419 1423 CONECT 1419 1418 1420 1422 CONECT 1420 1415 1419 1421 CONECT 1421 1420 CONECT 1422 1419 CONECT 1423 1418 CONECT 1424 1417 CONECT 1425 1416 1426 1430 CONECT 1426 1425 1427 1429 CONECT 1427 1414 1426 1428 CONECT 1428 1427 CONECT 1429 1426 CONECT 1430 1425 1431 1446 1447 CONECT 1431 1430 1432 1445 CONECT 1432 1431 1433 1437 CONECT 1433 1432 1434 1444 CONECT 1434 1433 1435 1441 CONECT 1435 1434 1436 1440 CONECT 1436 1435 1437 1439 CONECT 1437 1432 1436 1438 CONECT 1438 1437 CONECT 1439 1436 CONECT 1440 1435 CONECT 1441 1434 1442 1443 CONECT 1442 1441 CONECT 1443 1441 CONECT 1444 1433 CONECT 1445 1431 CONECT 1446 1430 CONECT 1447 1430 CONECT 1448 1414 1449 CONECT 1449 1448 1450 1451 1452 CONECT 1450 1449 CONECT 1451 1449 CONECT 1452 1449 MASTER 0 0 0 0 0 0 0 0 1451 1 43 11 END
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Structure:
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Related entries of code: 5y0g
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
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PDBbind
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PDBbind
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5y0f
RCSB PDB
PDBbind
152aa, >5Y0F_1|Chain... at 100%
5y0x
RCSB PDB
PDBbind
152aa, >5Y0X_1|Chain... at 100%
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PDBbind
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5y0g
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Fatty acid binding protein 4
Ligand Name
8JL
EC.Number
E.C.-.-.-.-
Resolution
1.54(Å)
Affinity (Kd/Ki/IC50)
Ki=0.20uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Eur J Med Chem Vol. 154: pp. 44-59
Ligand Properties
Formula
C
1
8
H
1
4
FNO
5
S
Molecular Weight
375.371
Exact Mass
375.058
No. of atoms
40
No. of bonds
42
Polar Surface Area
101.08
LOGP Value
4.38 (
Computed with XLOGP3
)
4.64 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
COc1ccc(c2c1cccc2)S(=O)(=O)Nc1cc(ccc1F)C(=O)O
InChI String
InChI=1S/C18H14FNO5S/c1-25-16-8-9-17(13-5-3-2-4-12(13)16)26(23,24)20-15-10-11(18(21)22)6-7-14(15)19/h2-10,20H,1H3,(H,21,22)
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):
P15090
Entrez Gene ID
NCBI Entrez Gene ID:
2167
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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