Browse entries in the PDBbind-CN Database
HEADER 5Y0X_COMPLEX COMPND 5Y0X_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 255 39 ATOM 1 N ARG A -4 -4.340 25.515 7.248 1.00 44.62 N ATOM 2 CA ARG A -4 -5.599 25.056 6.670 1.00 38.95 C ATOM 3 C ARG A -4 -5.964 23.667 7.187 1.00 40.03 C ATOM 4 O ARG A -4 -5.090 22.842 7.449 1.00 39.45 O ATOM 5 CB ARG A -4 -5.519 25.044 5.144 1.00 40.04 C ATOM 6 HN3 ARG A -4 -3.580 24.853 6.991 1.00 0.00 H ATOM 7 HN2 ARG A -4 -4.430 25.557 8.283 1.00 0.00 H ATOM 8 HN1 ARG A -4 -4.116 26.461 6.880 1.00 0.00 H ATOM 9 N GLY A -3 -7.263 23.411 7.325 1.00 38.66 N ATOM 10 CA GLY A -3 -7.750 22.167 7.879 1.00 32.36 C ATOM 11 C GLY A -3 -7.992 21.103 6.824 1.00 30.67 C ATOM 12 O GLY A -3 -7.659 21.254 5.647 1.00 31.90 O ATOM 13 H GLY A -3 -7.951 24.130 7.024 1.00 0.00 H ATOM 14 N SER A -2 -8.590 20.005 7.272 1.00 27.48 N ATOM 15 CA SER A -2 -8.881 18.883 6.395 1.00 26.67 C ATOM 16 C SER A -2 -9.964 19.248 5.385 1.00 26.88 C ATOM 17 O SER A -2 -10.807 20.120 5.612 1.00 29.14 O ATOM 18 CB SER A -2 -9.326 17.665 7.207 1.00 27.43 C ATOM 19 OG SER A -2 -8.372 17.323 8.199 1.00 29.91 O ATOM 20 HG SER A -2 -8.691 16.533 8.704 1.00 0.00 H ATOM 21 H SER A -2 -8.857 19.947 8.276 1.00 0.00 H ATOM 22 N HIS A -1 -9.928 18.554 4.251 1.00 22.47 N ATOM 23 CA HIS A -1 -10.955 18.658 3.228 1.00 23.65 C ATOM 24 C HIS A -1 -11.481 17.263 2.922 1.00 22.19 C ATOM 25 O HIS A -1 -10.770 16.270 3.090 1.00 21.33 O ATOM 26 CB HIS A -1 -10.403 19.304 1.952 1.00 25.50 C ATOM 27 CG HIS A -1 -10.056 20.753 2.109 1.00 33.16 C ATOM 28 ND1 HIS A -1 -10.928 21.673 2.651 1.00 38.38 N ATOM 29 CD2 HIS A -1 -8.932 21.441 1.794 1.00 40.17 C ATOM 30 CE1 HIS A -1 -10.357 22.864 2.665 1.00 33.24 C ATOM 31 NE2 HIS A -1 -9.145 22.751 2.151 1.00 41.75 N ATOM 32 H HIS A -1 -9.129 17.908 4.089 1.00 0.00 H ATOM 33 N MET A 0 -12.741 17.198 2.479 1.00 21.29 N ATOM 34 CA MET A 0 -13.302 15.926 2.036 1.00 18.19 C ATOM 35 C MET A 0 -12.427 15.285 0.966 1.00 21.10 C ATOM 36 O MET A 0 -12.258 14.059 0.948 1.00 19.88 O ATOM 37 CB MET A 0 -14.730 16.140 1.519 1.00 20.78 C ATOM 38 CG MET A 0 -15.445 14.882 1.042 1.00 18.63 C ATOM 39 SD MET A 0 -15.137 14.595 -0.718 1.00 26.46 S ATOM 40 CE MET A 0 -15.087 12.801 -0.787 1.00 22.29 C ATOM 41 H MET A 0 -13.324 18.059 2.450 1.00 0.00 H ATOM 42 N CYS A 1 -11.840 16.106 0.085 1.00 19.17 N ATOM 43 CA CYS A 1 -11.011 15.632 -1.024 1.00 19.97 C ATOM 44 C CYS A 1 -9.749 14.916 -0.550 1.00 20.28 C ATOM 45 O CYS A 1 -9.092 14.232 -1.348 1.00 16.90 O ATOM 46 CB CYS A 1 -10.633 16.819 -1.924 1.00 22.03 C ATOM 47 SG CYS A 1 -10.789 16.561 -3.723 1.00 25.24 S ATOM 48 H CYS A 1 -11.980 17.131 0.195 1.00 0.00 H ATOM 49 N ASP A 2 -9.374 15.086 0.719 1.00 16.85 N ATOM 50 CA ASP A 2 -8.217 14.382 1.251 1.00 16.57 C ATOM 51 C ASP A 2 -8.388 12.866 1.210 1.00 16.50 C ATOM 52 O ASP A 2 -7.391 12.149 1.347 1.00 13.90 O ATOM 53 CB ASP A 2 -7.933 14.839 2.690 1.00 17.63 C ATOM 54 CG ASP A 2 -7.550 16.311 2.780 1.00 20.69 C ATOM 55 OD1 ASP A 2 -7.145 16.898 1.756 1.00 23.81 O ATOM 56 OD2 ASP A 2 -7.642 16.882 3.890 1.00 27.71 O ATOM 57 H ASP A 2 -9.914 15.728 1.334 1.00 0.00 H ATOM 58 N ALA A 3 -9.613 12.360 1.006 1.00 11.64 N ATOM 59 CA ALA A 3 -9.818 10.921 0.867 1.00 13.80 C ATOM 60 C ALA A 3 -9.148 10.348 -0.374 1.00 14.59 C ATOM 61 O ALA A 3 -8.956 9.131 -0.454 1.00 13.29 O ATOM 62 CB ALA A 3 -11.312 10.597 0.816 1.00 18.57 C ATOM 63 H ALA A 3 -10.429 13.002 0.946 1.00 0.00 H ATOM 64 N PHE A 4 -8.819 11.183 -1.351 1.00 11.29 N ATOM 65 CA PHE A 4 -8.138 10.726 -2.554 1.00 10.39 C ATOM 66 C PHE A 4 -6.622 10.756 -2.413 1.00 9.76 C ATOM 67 O PHE A 4 -5.922 10.139 -3.226 1.00 9.62 O ATOM 68 CB PHE A 4 -8.551 11.585 -3.762 1.00 9.52 C ATOM 69 CG PHE A 4 -9.989 11.422 -4.179 1.00 9.43 C ATOM 70 CD1 PHE A 4 -10.377 10.382 -5.022 1.00 10.25 C ATOM 71 CD2 PHE A 4 -10.950 12.324 -3.747 1.00 13.53 C ATOM 72 CE1 PHE A 4 -11.707 10.237 -5.420 1.00 12.91 C ATOM 73 CE2 PHE A 4 -12.280 12.189 -4.140 1.00 16.41 C ATOM 74 CZ PHE A 4 -12.659 11.147 -4.972 1.00 11.74 C ATOM 75 H PHE A 4 -9.054 12.192 -1.255 1.00 0.00 H ATOM 76 N VAL A 5 -6.102 11.432 -1.391 1.00 9.46 N ATOM 77 CA VAL A 5 -4.671 11.668 -1.284 1.00 9.35 C ATOM 78 C VAL A 5 -3.955 10.364 -0.978 1.00 9.84 C ATOM 79 O VAL A 5 -4.407 9.576 -0.139 1.00 12.02 O ATOM 80 CB VAL A 5 -4.412 12.732 -0.203 1.00 11.86 C ATOM 81 CG1 VAL A 5 -2.920 12.854 0.109 1.00 10.22 C ATOM 82 CG2 VAL A 5 -4.992 14.066 -0.661 1.00 10.17 C ATOM 83 H VAL A 5 -6.734 11.800 -0.652 1.00 0.00 H ATOM 84 N GLY A 6 -2.849 10.116 -1.664 1.00 9.97 N ATOM 85 CA GLY A 6 -2.048 8.945 -1.382 1.00 12.38 C ATOM 86 C GLY A 6 -1.373 8.432 -2.638 1.00 10.39 C ATOM 87 O GLY A 6 -1.386 9.079 -3.678 1.00 11.42 O ATOM 88 H GLY A 6 -2.553 10.772 -2.415 1.00 0.00 H ATOM 89 N THR A 7 -0.778 7.248 -2.511 1.00 9.50 N ATOM 90 CA THR A 7 -0.118 6.560 -3.613 1.00 11.79 C ATOM 91 C THR A 7 -0.914 5.306 -3.946 1.00 10.84 C ATOM 92 O THR A 7 -1.189 4.497 -3.056 1.00 12.40 O ATOM 93 CB THR A 7 1.316 6.193 -3.229 1.00 14.73 C ATOM 94 OG1 THR A 7 1.977 7.346 -2.690 1.00 17.43 O ATOM 95 CG2 THR A 7 2.095 5.667 -4.440 1.00 17.80 C ATOM 96 HG1 THR A 7 1.490 7.659 -1.887 1.00 0.00 H ATOM 97 H THR A 7 -0.785 6.790 -1.577 1.00 0.00 H ATOM 98 N TRP A 8 -1.309 5.161 -5.213 1.00 8.87 N ATOM 99 CA TRP A 8 -2.260 4.146 -5.638 1.00 8.93 C ATOM 100 C TRP A 8 -1.641 3.319 -6.755 1.00 11.50 C ATOM 101 O TRP A 8 -0.831 3.827 -7.538 1.00 12.73 O ATOM 102 CB TRP A 8 -3.574 4.798 -6.124 1.00 9.43 C ATOM 103 CG TRP A 8 -4.250 5.659 -5.118 1.00 7.87 C ATOM 104 CD1 TRP A 8 -4.084 7.003 -4.936 1.00 9.30 C ATOM 105 CD2 TRP A 8 -5.239 5.247 -4.176 1.00 7.05 C ATOM 106 NE1 TRP A 8 -4.903 7.450 -3.915 1.00 9.16 N ATOM 107 CE2 TRP A 8 -5.619 6.389 -3.435 1.00 7.94 C ATOM 108 CE3 TRP A 8 -5.834 4.019 -3.875 1.00 9.81 C ATOM 109 CZ2 TRP A 8 -6.563 6.332 -2.409 1.00 8.40 C ATOM 110 CZ3 TRP A 8 -6.766 3.971 -2.859 1.00 9.76 C ATOM 111 CH2 TRP A 8 -7.127 5.121 -2.144 1.00 9.15 C ATOM 112 HE1 TRP A 8 -4.964 8.429 -3.570 1.00 0.00 H ATOM 113 H TRP A 8 -0.918 5.805 -5.930 1.00 0.00 H ATOM 114 N LYS A 9 -2.030 2.045 -6.835 1.00 8.81 N ATOM 115 CA LYS A 9 -1.509 1.152 -7.863 1.00 8.97 C ATOM 116 C LYS A 9 -2.661 0.436 -8.558 1.00 9.85 C ATOM 117 O LYS A 9 -3.612 -0.003 -7.909 1.00 9.47 O ATOM 118 CB LYS A 9 -0.525 0.136 -7.263 1.00 12.01 C ATOM 119 CG LYS A 9 -1.138 -0.857 -6.301 1.00 18.06 C ATOM 120 CD LYS A 9 -0.059 -1.618 -5.520 1.00 24.78 C ATOM 121 CE LYS A 9 0.057 -3.067 -5.974 1.00 33.82 C ATOM 122 NZ LYS A 9 1.053 -3.834 -5.162 1.00 38.04 N ATOM 123 HZ1 LYS A 9 1.989 -3.390 -5.253 1.00 0.00 H ATOM 124 HZ2 LYS A 9 0.762 -3.829 -4.164 1.00 0.00 H ATOM 125 HZ3 LYS A 9 1.098 -4.814 -5.507 1.00 0.00 H ATOM 126 H LYS A 9 -2.721 1.681 -6.148 1.00 0.00 H ATOM 127 N LEU A 10 -2.586 0.357 -9.887 1.00 8.35 N ATOM 128 CA LEU A 10 -3.638 -0.281 -10.675 1.00 7.86 C ATOM 129 C LEU A 10 -3.696 -1.768 -10.355 1.00 11.90 C ATOM 130 O LEU A 10 -2.675 -2.455 -10.433 1.00 14.06 O ATOM 131 CB LEU A 10 -3.375 -0.096 -12.168 1.00 10.63 C ATOM 132 CG LEU A 10 -4.451 -0.697 -13.062 1.00 10.92 C ATOM 133 CD1 LEU A 10 -5.676 0.192 -12.972 1.00 9.80 C ATOM 134 CD2 LEU A 10 -3.972 -0.809 -14.501 1.00 14.06 C ATOM 135 H LEU A 10 -1.760 0.759 -10.374 1.00 0.00 H ATOM 136 N VAL A 11 -4.880 -2.269 -10.005 1.00 8.75 N ATOM 137 CA VAL A 11 -5.047 -3.696 -9.748 1.00 10.56 C ATOM 138 C VAL A 11 -6.045 -4.376 -10.679 1.00 16.38 C ATOM 139 O VAL A 11 -6.018 -5.617 -10.788 1.00 15.19 O ATOM 140 CB VAL A 11 -5.434 -3.958 -8.280 1.00 12.37 C ATOM 141 CG1 VAL A 11 -4.317 -3.502 -7.348 1.00 14.70 C ATOM 142 CG2 VAL A 11 -6.749 -3.277 -7.945 1.00 13.29 C ATOM 143 H VAL A 11 -5.698 -1.633 -9.914 1.00 0.00 H ATOM 144 N SER A 12 -6.931 -3.647 -11.349 1.00 11.28 N ATOM 145 CA SER A 12 -7.799 -4.300 -12.315 1.00 12.37 C ATOM 146 C SER A 12 -8.253 -3.291 -13.357 1.00 12.30 C ATOM 147 O SER A 12 -8.277 -2.082 -13.108 1.00 11.98 O ATOM 148 CB SER A 12 -8.999 -4.954 -11.633 1.00 15.89 C ATOM 149 OG SER A 12 -9.936 -3.990 -11.232 1.00 20.69 O ATOM 150 HG SER A 12 -10.254 -3.491 -12.025 1.00 0.00 H ATOM 151 H SER A 12 -7.003 -2.623 -11.184 1.00 0.00 H ATOM 152 N SER A 13 -8.592 -3.808 -14.536 1.00 12.95 N ATOM 153 CA SER A 13 -9.006 -2.978 -15.660 1.00 12.62 C ATOM 154 C SER A 13 -9.983 -3.771 -16.513 1.00 14.80 C ATOM 155 O SER A 13 -9.732 -4.943 -16.820 1.00 13.75 O ATOM 156 CB SER A 13 -7.790 -2.532 -16.488 1.00 12.40 C ATOM 157 OG SER A 13 -8.140 -1.714 -17.595 1.00 13.77 O ATOM 158 HG SER A 13 -8.745 -2.216 -18.196 1.00 0.00 H ATOM 159 H SER A 13 -8.560 -4.840 -14.659 1.00 0.00 H ATOM 160 N GLU A 14 -11.106 -3.150 -16.866 1.00 10.63 N ATOM 161 CA GLU A 14 -12.121 -3.782 -17.699 1.00 11.06 C ATOM 162 C GLU A 14 -12.471 -2.846 -18.844 1.00 10.51 C ATOM 163 O GLU A 14 -12.734 -1.656 -18.617 1.00 10.43 O ATOM 164 CB GLU A 14 -13.412 -4.098 -16.926 1.00 15.69 C ATOM 165 CG GLU A 14 -13.279 -4.357 -15.441 1.00 26.43 C ATOM 166 CD GLU A 14 -14.614 -4.208 -14.709 1.00 29.92 C ATOM 167 OE1 GLU A 14 -14.609 -3.992 -13.469 1.00 32.03 O ATOM 168 OE2 GLU A 14 -15.668 -4.284 -15.383 1.00 34.89 O ATOM 169 H GLU A 14 -11.265 -2.177 -16.535 1.00 0.00 H ATOM 170 N ASN A 15 -12.500 -3.391 -20.060 1.00 11.36 N ATOM 171 CA ASN A 15 -12.983 -2.717 -21.269 1.00 11.19 C ATOM 172 C ASN A 15 -12.135 -1.503 -21.657 1.00 9.34 C ATOM 173 O ASN A 15 -12.576 -0.674 -22.459 1.00 10.57 O ATOM 174 CB ASN A 15 -14.464 -2.317 -21.131 1.00 11.53 C ATOM 175 CG ASN A 15 -15.236 -2.425 -22.449 1.00 15.95 C ATOM 176 OD1 ASN A 15 -15.003 -3.332 -23.257 1.00 17.66 O ATOM 177 ND2 ASN A 15 -16.167 -1.500 -22.667 1.00 15.33 N ATOM 178 HD22 ASN A 15 -16.333 -0.753 -21.963 1.00 0.00 H ATOM 179 HD21 ASN A 15 -16.729 -1.524 -23.542 1.00 0.00 H ATOM 180 H ASN A 15 -12.154 -4.367 -20.158 1.00 0.00 H ATOM 181 N PHE A 16 -10.902 -1.395 -21.149 1.00 11.17 N ATOM 182 CA PHE A 16 -10.080 -0.224 -21.459 1.00 11.37 C ATOM 183 C PHE A 16 -9.717 -0.162 -22.939 1.00 10.17 C ATOM 184 O PHE A 16 -9.641 0.934 -23.509 1.00 10.26 O ATOM 185 CB PHE A 16 -8.810 -0.211 -20.591 1.00 12.51 C ATOM 186 CG PHE A 16 -8.068 1.116 -20.589 1.00 13.37 C ATOM 187 CD1 PHE A 16 -8.725 2.294 -20.289 1.00 11.98 C ATOM 188 CD2 PHE A 16 -6.702 1.172 -20.854 1.00 15.64 C ATOM 189 CE1 PHE A 16 -8.047 3.508 -20.278 1.00 14.91 C ATOM 190 CE2 PHE A 16 -6.021 2.396 -20.836 1.00 13.46 C ATOM 191 CZ PHE A 16 -6.700 3.558 -20.552 1.00 12.68 C ATOM 192 H PHE A 16 -10.527 -2.144 -20.533 1.00 0.00 H ATOM 193 N ASP A 17 -9.493 -1.309 -23.592 1.00 12.06 N ATOM 194 CA ASP A 17 -9.154 -1.259 -25.013 1.00 11.67 C ATOM 195 C ASP A 17 -10.303 -0.690 -25.833 1.00 11.29 C ATOM 196 O ASP A 17 -10.085 0.123 -26.739 1.00 11.10 O ATOM 197 CB ASP A 17 -8.774 -2.653 -25.518 1.00 13.72 C ATOM 198 CG ASP A 17 -8.243 -2.635 -26.943 1.00 19.61 C ATOM 199 OD1 ASP A 17 -7.207 -1.981 -27.188 1.00 20.59 O ATOM 200 OD2 ASP A 17 -8.848 -3.293 -27.816 1.00 26.71 O ATOM 201 H ASP A 17 -9.559 -2.221 -23.096 1.00 0.00 H ATOM 202 N ASP A 18 -11.535 -1.108 -25.533 1.00 11.76 N ATOM 203 CA ASP A 18 -12.682 -0.587 -26.270 1.00 11.73 C ATOM 204 C ASP A 18 -12.905 0.893 -25.971 1.00 10.28 C ATOM 205 O ASP A 18 -13.279 1.662 -26.865 1.00 10.48 O ATOM 206 CB ASP A 18 -13.937 -1.398 -25.942 1.00 14.14 C ATOM 207 CG ASP A 18 -14.097 -2.631 -26.838 1.00 27.24 C ATOM 208 OD1 ASP A 18 -13.110 -3.369 -27.032 1.00 29.99 O ATOM 209 OD2 ASP A 18 -15.213 -2.858 -27.356 1.00 32.83 O ATOM 210 H ASP A 18 -11.677 -1.805 -24.774 1.00 0.00 H ATOM 211 N TYR A 19 -12.671 1.317 -24.727 1.00 9.76 N ATOM 212 CA TYR A 19 -12.738 2.741 -24.426 1.00 8.11 C ATOM 213 C TYR A 19 -11.730 3.520 -25.259 1.00 9.69 C ATOM 214 O TYR A 19 -12.073 4.531 -25.877 1.00 7.39 O ATOM 215 CB TYR A 19 -12.501 2.968 -22.931 1.00 9.07 C ATOM 216 CG TYR A 19 -12.284 4.413 -22.580 1.00 9.00 C ATOM 217 CD1 TYR A 19 -13.356 5.290 -22.491 1.00 7.14 C ATOM 218 CD2 TYR A 19 -11.002 4.913 -22.375 1.00 9.33 C ATOM 219 CE1 TYR A 19 -13.159 6.629 -22.173 1.00 8.79 C ATOM 220 CE2 TYR A 19 -10.788 6.241 -22.060 1.00 10.60 C ATOM 221 CZ TYR A 19 -11.867 7.103 -21.970 1.00 9.61 C ATOM 222 OH TYR A 19 -11.648 8.421 -21.658 1.00 11.04 O ATOM 223 HH TYR A 19 -12.513 8.901 -21.633 1.00 0.00 H ATOM 224 H TYR A 19 -12.442 0.634 -23.977 1.00 0.00 H ATOM 225 N MET A 20 -10.477 3.044 -25.300 1.00 8.20 N ATOM 226 CA MET A 20 -9.445 3.728 -26.075 1.00 8.16 C ATOM 227 C MET A 20 -9.783 3.744 -27.565 1.00 7.10 C ATOM 228 O MET A 20 -9.537 4.741 -28.248 1.00 8.21 O ATOM 229 CB MET A 20 -8.084 3.066 -25.860 1.00 9.09 C ATOM 230 CG MET A 20 -7.480 3.309 -24.484 1.00 10.81 C ATOM 231 SD MET A 20 -5.752 2.776 -24.468 1.00 10.76 S ATOM 232 CE MET A 20 -5.939 1.014 -24.476 1.00 12.36 C ATOM 233 H MET A 20 -10.238 2.179 -24.775 1.00 0.00 H ATOM 234 N LYS A 21 -10.380 2.665 -28.071 1.00 8.84 N ATOM 235 CA LYS A 21 -10.824 2.666 -29.459 1.00 11.34 C ATOM 236 C LYS A 21 -11.845 3.766 -29.701 1.00 12.27 C ATOM 237 O LYS A 21 -11.775 4.481 -30.710 1.00 13.31 O ATOM 238 CB LYS A 21 -11.405 1.298 -29.827 1.00 13.38 C ATOM 239 CG LYS A 21 -10.344 0.243 -30.124 1.00 12.09 C ATOM 240 CD LYS A 21 -10.955 -0.994 -30.753 1.00 16.95 C ATOM 241 CE LYS A 21 -11.353 -1.998 -29.703 1.00 23.41 C ATOM 242 NZ LYS A 21 -11.972 -3.206 -30.334 1.00 32.56 N ATOM 243 HZ1 LYS A 21 -12.819 -2.922 -30.867 1.00 0.00 H ATOM 244 HZ2 LYS A 21 -11.287 -3.648 -30.980 1.00 0.00 H ATOM 245 HZ3 LYS A 21 -12.239 -3.885 -29.593 1.00 0.00 H ATOM 246 H LYS A 21 -10.529 1.825 -27.477 1.00 0.00 H ATOM 247 N GLU A 22 -12.799 3.924 -28.779 1.00 10.45 N ATOM 248 CA GLU A 22 -13.828 4.941 -28.964 1.00 13.74 C ATOM 249 C GLU A 22 -13.235 6.342 -28.903 1.00 12.68 C ATOM 250 O GLU A 22 -13.697 7.244 -29.612 1.00 15.78 O ATOM 251 CB GLU A 22 -14.919 4.763 -27.908 1.00 15.48 C ATOM 252 CG GLU A 22 -16.283 5.315 -28.294 1.00 19.21 C ATOM 253 CD GLU A 22 -17.022 4.450 -29.304 1.00 22.75 C ATOM 254 OE1 GLU A 22 -16.463 3.441 -29.775 1.00 23.34 O ATOM 255 OE2 GLU A 22 -18.180 4.788 -29.627 1.00 30.91 O ATOM 256 H GLU A 22 -12.808 3.323 -27.931 1.00 0.00 H ATOM 257 N VAL A 23 -12.213 6.539 -28.068 1.00 10.22 N ATOM 258 CA VAL A 23 -11.556 7.834 -27.956 1.00 9.81 C ATOM 259 C VAL A 23 -10.792 8.156 -29.235 1.00 11.88 C ATOM 260 O VAL A 23 -10.595 9.329 -29.569 1.00 13.46 O ATOM 261 CB VAL A 23 -10.649 7.828 -26.704 1.00 11.60 C ATOM 262 CG1 VAL A 23 -9.696 9.024 -26.701 1.00 11.83 C ATOM 263 CG2 VAL A 23 -11.500 7.824 -25.435 1.00 12.04 C ATOM 264 H VAL A 23 -11.877 5.748 -27.482 1.00 0.00 H ATOM 265 N GLY A 24 -10.392 7.136 -29.984 1.00 10.30 N ATOM 266 CA GLY A 24 -9.630 7.295 -31.200 1.00 11.94 C ATOM 267 C GLY A 24 -8.156 6.963 -31.093 1.00 10.38 C ATOM 268 O GLY A 24 -7.389 7.354 -31.984 1.00 13.03 O ATOM 269 H GLY A 24 -10.640 6.173 -29.679 1.00 0.00 H ATOM 270 N VAL A 25 -7.739 6.256 -30.043 1.00 10.11 N ATOM 271 CA VAL A 25 -6.334 5.912 -29.857 1.00 10.40 C ATOM 272 C VAL A 25 -5.917 4.901 -30.917 1.00 13.26 C ATOM 273 O VAL A 25 -6.637 3.930 -31.184 1.00 13.60 O ATOM 274 CB VAL A 25 -6.119 5.369 -28.434 1.00 10.31 C ATOM 275 CG1 VAL A 25 -4.639 5.086 -28.161 1.00 10.70 C ATOM 276 CG2 VAL A 25 -6.697 6.352 -27.393 1.00 10.60 C ATOM 277 H VAL A 25 -8.435 5.941 -29.337 1.00 0.00 H ATOM 278 N GLY A 26 -4.749 5.122 -31.521 1.00 12.99 N ATOM 279 CA GLY A 26 -4.267 4.234 -32.560 1.00 14.32 C ATOM 280 C GLY A 26 -3.758 2.908 -32.019 1.00 14.61 C ATOM 281 O GLY A 26 -3.556 2.712 -30.817 1.00 12.95 O ATOM 282 H GLY A 26 -4.175 5.944 -31.242 1.00 0.00 H ATOM 283 N PHE A 27 -3.525 1.981 -32.955 1.00 13.08 N ATOM 284 CA PHE A 27 -3.230 0.596 -32.601 1.00 12.12 C ATOM 285 C PHE A 27 -2.039 0.487 -31.654 1.00 12.44 C ATOM 286 O PHE A 27 -2.135 -0.137 -30.592 1.00 10.51 O ATOM 287 CB PHE A 27 -2.975 -0.215 -33.874 1.00 14.51 C ATOM 288 CG PHE A 27 -2.570 -1.630 -33.615 1.00 14.49 C ATOM 289 CD1 PHE A 27 -3.528 -2.611 -33.462 1.00 14.31 C ATOM 290 CD2 PHE A 27 -1.232 -1.983 -33.505 1.00 15.22 C ATOM 291 CE1 PHE A 27 -3.165 -3.929 -33.213 1.00 18.00 C ATOM 292 CE2 PHE A 27 -0.863 -3.296 -33.249 1.00 12.54 C ATOM 293 CZ PHE A 27 -1.832 -4.267 -33.104 1.00 14.23 C ATOM 294 H PHE A 27 -3.555 2.254 -33.958 1.00 0.00 H ATOM 295 N ALA A 28 -0.896 1.066 -32.033 1.00 12.03 N ATOM 296 CA ALA A 28 0.326 0.832 -31.268 1.00 10.65 C ATOM 297 C ALA A 28 0.232 1.434 -29.872 1.00 12.89 C ATOM 298 O ALA A 28 0.662 0.815 -28.889 1.00 11.79 O ATOM 299 CB ALA A 28 1.529 1.395 -32.021 1.00 13.71 C ATOM 300 H ALA A 28 -0.877 1.682 -32.871 1.00 0.00 H ATOM 301 N THR A 29 -0.328 2.640 -29.766 1.00 11.77 N ATOM 302 CA THR A 29 -0.514 3.253 -28.456 1.00 9.54 C ATOM 303 C THR A 29 -1.477 2.441 -27.597 1.00 10.87 C ATOM 304 O THR A 29 -1.238 2.256 -26.400 1.00 9.70 O ATOM 305 CB THR A 29 -0.995 4.693 -28.631 1.00 14.00 C ATOM 306 OG1 THR A 29 -0.038 5.401 -29.434 1.00 16.35 O ATOM 307 CG2 THR A 29 -1.120 5.382 -27.284 1.00 15.04 C ATOM 308 HG1 THR A 29 0.039 4.961 -30.318 1.00 0.00 H ATOM 309 H THR A 29 -0.633 3.146 -30.622 1.00 0.00 H ATOM 310 N ARG A 30 -2.573 1.948 -28.186 1.00 10.69 N ATOM 311 CA ARG A 30 -3.494 1.108 -27.426 1.00 9.31 C ATOM 312 C ARG A 30 -2.776 -0.108 -26.868 1.00 10.52 C ATOM 313 O ARG A 30 -2.985 -0.495 -25.714 1.00 11.84 O ATOM 314 CB ARG A 30 -4.670 0.643 -28.297 1.00 11.49 C ATOM 315 CG ARG A 30 -5.728 1.693 -28.539 1.00 13.58 C ATOM 316 CD ARG A 30 -7.080 1.053 -28.805 1.00 12.41 C ATOM 317 NE ARG A 30 -7.009 -0.108 -29.688 1.00 14.50 N ATOM 318 CZ ARG A 30 -6.894 -0.049 -31.015 1.00 14.80 C ATOM 319 NH1 ARG A 30 -6.824 1.123 -31.645 1.00 14.11 N ATOM 320 NH2 ARG A 30 -6.849 -1.174 -31.716 1.00 14.39 N ATOM 321 HE ARG A 30 -7.051 -1.050 -29.249 1.00 0.00 H ATOM 322 HH12 ARG A 30 -6.734 1.152 -32.681 1.00 0.00 H ATOM 323 HH11 ARG A 30 -6.859 2.009 -31.101 1.00 0.00 H ATOM 324 HH22 ARG A 30 -6.759 -1.138 -32.752 1.00 0.00 H ATOM 325 HH21 ARG A 30 -6.903 -2.092 -31.230 1.00 0.00 H ATOM 326 H ARG A 30 -2.768 2.163 -29.185 1.00 0.00 H ATOM 327 N LYS A 31 -1.922 -0.728 -27.677 1.00 9.74 N ATOM 328 CA LYS A 31 -1.300 -1.971 -27.239 1.00 11.58 C ATOM 329 C LYS A 31 -0.338 -1.715 -26.086 1.00 10.16 C ATOM 330 O LYS A 31 -0.359 -2.426 -25.073 1.00 12.39 O ATOM 331 CB LYS A 31 -0.584 -2.637 -28.422 1.00 12.99 C ATOM 332 CG LYS A 31 -1.531 -3.211 -29.466 1.00 14.45 C ATOM 333 CD LYS A 31 -2.342 -4.336 -28.866 1.00 17.88 C ATOM 334 CE LYS A 31 -3.362 -4.864 -29.835 1.00 24.46 C ATOM 335 NZ LYS A 31 -4.542 -3.963 -29.899 1.00 26.93 N ATOM 336 HZ1 LYS A 31 -4.977 -3.895 -28.957 1.00 0.00 H ATOM 337 HZ2 LYS A 31 -4.239 -3.018 -30.211 1.00 0.00 H ATOM 338 HZ3 LYS A 31 -5.234 -4.347 -30.574 1.00 0.00 H ATOM 339 H LYS A 31 -1.700 -0.330 -28.612 1.00 0.00 H ATOM 340 N VAL A 32 0.501 -0.690 -26.218 1.00 9.56 N ATOM 341 CA VAL A 32 1.484 -0.398 -25.181 1.00 9.22 C ATOM 342 C VAL A 32 0.799 0.188 -23.954 1.00 10.89 C ATOM 343 O VAL A 32 1.096 -0.201 -22.816 1.00 12.86 O ATOM 344 CB VAL A 32 2.582 0.527 -25.742 1.00 14.33 C ATOM 345 CG1 VAL A 32 3.556 0.940 -24.643 1.00 20.99 C ATOM 346 CG2 VAL A 32 3.322 -0.178 -26.873 1.00 16.30 C ATOM 347 H VAL A 32 0.455 -0.092 -27.068 1.00 0.00 H ATOM 348 N ALA A 33 -0.149 1.102 -24.155 1.00 11.46 N ATOM 349 CA ALA A 33 -0.833 1.694 -23.007 1.00 9.15 C ATOM 350 C ALA A 33 -1.655 0.666 -22.250 1.00 10.61 C ATOM 351 O ALA A 33 -1.780 0.756 -21.026 1.00 12.36 O ATOM 352 CB ALA A 33 -1.721 2.854 -23.455 1.00 10.36 C ATOM 353 H ALA A 33 -0.401 1.392 -25.122 1.00 0.00 H ATOM 354 N GLY A 34 -2.216 -0.323 -22.949 1.00 11.42 N ATOM 355 CA GLY A 34 -2.989 -1.347 -22.272 1.00 13.84 C ATOM 356 C GLY A 34 -2.159 -2.277 -21.415 1.00 14.24 C ATOM 357 O GLY A 34 -2.708 -2.933 -20.523 1.00 18.43 O ATOM 358 H GLY A 34 -2.099 -0.360 -23.982 1.00 0.00 H ATOM 359 N MET A 35 -0.847 -2.349 -21.659 1.00 10.67 N ATOM 360 CA MET A 35 0.013 -3.185 -20.829 1.00 13.65 C ATOM 361 C MET A 35 0.357 -2.517 -19.504 1.00 11.30 C ATOM 362 O MET A 35 0.615 -3.212 -18.517 1.00 12.38 O ATOM 363 CB MET A 35 1.312 -3.528 -21.566 1.00 14.74 C ATOM 364 CG MET A 35 1.150 -4.437 -22.777 1.00 11.45 C ATOM 365 SD MET A 35 0.598 -6.091 -22.338 1.00 12.49 S ATOM 366 CE MET A 35 1.942 -6.681 -21.337 1.00 15.90 C ATOM 367 H MET A 35 -0.437 -1.806 -22.445 1.00 0.00 H ATOM 368 N ALA A 36 0.327 -1.189 -19.459 1.00 12.24 N ATOM 369 CA ALA A 36 0.862 -0.455 -18.321 1.00 10.73 C ATOM 370 C ALA A 36 0.063 -0.718 -17.048 1.00 12.19 C ATOM 371 O ALA A 36 -1.166 -0.851 -17.075 1.00 13.57 O ATOM 372 CB ALA A 36 0.867 1.043 -18.628 1.00 11.70 C ATOM 373 H ALA A 36 -0.088 -0.662 -20.254 1.00 0.00 H ATOM 374 N LYS A 37 0.774 -0.776 -15.921 1.00 10.66 N ATOM 375 CA LYS A 37 0.180 -0.867 -14.588 1.00 10.11 C ATOM 376 C LYS A 37 0.637 0.374 -13.826 1.00 10.51 C ATOM 377 O LYS A 37 1.610 0.326 -13.062 1.00 12.82 O ATOM 378 CB LYS A 37 0.590 -2.153 -13.870 1.00 14.62 C ATOM 379 CG LYS A 37 0.248 -3.416 -14.635 1.00 20.08 C ATOM 380 CD LYS A 37 -1.249 -3.649 -14.650 1.00 20.58 C ATOM 381 CE LYS A 37 -1.608 -4.933 -15.419 1.00 19.41 C ATOM 382 NZ LYS A 37 -2.828 -4.768 -16.270 1.00 34.05 N ATOM 383 HZ1 LYS A 37 -3.638 -4.517 -15.668 1.00 0.00 H ATOM 384 HZ2 LYS A 37 -2.664 -4.012 -16.965 1.00 0.00 H ATOM 385 HZ3 LYS A 37 -3.026 -5.660 -16.766 1.00 0.00 H ATOM 386 H LYS A 37 1.811 -0.755 -15.995 1.00 0.00 H ATOM 387 N PRO A 38 -0.011 1.513 -14.045 1.00 10.06 N ATOM 388 CA PRO A 38 0.502 2.766 -13.483 1.00 9.28 C ATOM 389 C PRO A 38 0.301 2.861 -11.979 1.00 11.94 C ATOM 390 O PRO A 38 -0.563 2.215 -11.381 1.00 9.49 O ATOM 391 CB PRO A 38 -0.314 3.846 -14.205 1.00 11.77 C ATOM 392 CG PRO A 38 -0.995 3.146 -15.350 1.00 16.79 C ATOM 393 CD PRO A 38 -1.192 1.737 -14.891 1.00 12.42 C ATOM 394 N ASN A 39 1.139 3.693 -11.378 1.00 9.97 N ATOM 395 CA ASN A 39 0.921 4.206 -10.037 1.00 10.46 C ATOM 396 C ASN A 39 0.364 5.608 -10.173 1.00 12.14 C ATOM 397 O ASN A 39 0.785 6.379 -11.044 1.00 14.85 O ATOM 398 CB ASN A 39 2.210 4.239 -9.226 1.00 14.54 C ATOM 399 CG ASN A 39 2.744 2.855 -8.925 1.00 20.48 C ATOM 400 OD1 ASN A 39 1.994 1.878 -8.900 1.00 20.02 O ATOM 401 ND2 ASN A 39 4.054 2.761 -8.716 1.00 31.26 N ATOM 402 HD22 ASN A 39 4.648 3.614 -8.747 1.00 0.00 H ATOM 403 HD21 ASN A 39 4.484 1.834 -8.522 1.00 0.00 H ATOM 404 H ASN A 39 1.993 3.993 -11.891 1.00 0.00 H ATOM 405 N MET A 40 -0.596 5.930 -9.326 1.00 8.07 N ATOM 406 CA MET A 40 -1.216 7.243 -9.322 1.00 11.49 C ATOM 407 C MET A 40 -0.927 7.871 -7.972 1.00 9.87 C ATOM 408 O MET A 40 -1.162 7.246 -6.938 1.00 11.20 O ATOM 409 CB MET A 40 -2.723 7.147 -9.563 1.00 14.14 C ATOM 410 CG MET A 40 -3.427 8.477 -9.565 1.00 14.53 C ATOM 411 SD MET A 40 -5.156 8.300 -10.008 1.00 20.74 S ATOM 412 CE MET A 40 -5.615 6.865 -9.043 1.00 21.09 C ATOM 413 H MET A 40 -0.919 5.220 -8.639 1.00 0.00 H ATOM 414 N ILE A 41 -0.375 9.079 -7.984 1.00 8.21 N ATOM 415 CA ILE A 41 -0.020 9.789 -6.763 1.00 9.54 C ATOM 416 C ILE A 41 -0.878 11.044 -6.724 1.00 8.77 C ATOM 417 O ILE A 41 -0.794 11.879 -7.632 1.00 9.98 O ATOM 418 CB ILE A 41 1.480 10.125 -6.719 1.00 11.23 C ATOM 419 CG1 ILE A 41 2.322 8.837 -6.758 1.00 15.76 C ATOM 420 CG2 ILE A 41 1.828 10.895 -5.465 1.00 18.73 C ATOM 421 CD1 ILE A 41 2.857 8.463 -8.138 1.00 24.64 C ATOM 422 H ILE A 41 -0.189 9.535 -8.900 1.00 0.00 H ATOM 423 N ILE A 42 -1.714 11.172 -5.688 1.00 7.66 N ATOM 424 CA ILE A 42 -2.639 12.296 -5.571 1.00 6.54 C ATOM 425 C ILE A 42 -2.288 13.095 -4.325 1.00 7.27 C ATOM 426 O ILE A 42 -2.141 12.527 -3.233 1.00 7.49 O ATOM 427 CB ILE A 42 -4.104 11.823 -5.525 1.00 7.46 C ATOM 428 CG1 ILE A 42 -4.445 11.044 -6.792 1.00 9.77 C ATOM 429 CG2 ILE A 42 -5.053 13.020 -5.333 1.00 6.69 C ATOM 430 CD1 ILE A 42 -5.856 10.472 -6.806 1.00 11.08 C ATOM 431 H ILE A 42 -1.705 10.448 -4.942 1.00 0.00 H ATOM 432 N SER A 43 -2.153 14.409 -4.485 1.00 6.88 N ATOM 433 CA SER A 43 -1.846 15.269 -3.361 1.00 7.97 C ATOM 434 C SER A 43 -2.667 16.545 -3.457 1.00 6.97 C ATOM 435 O SER A 43 -3.108 16.950 -4.543 1.00 6.72 O ATOM 436 CB SER A 43 -0.344 15.589 -3.298 1.00 10.86 C ATOM 437 OG SER A 43 0.105 16.182 -4.497 1.00 14.07 O ATOM 438 HG SER A 43 -0.391 17.025 -4.653 1.00 0.00 H ATOM 439 H SER A 43 -2.270 14.825 -5.431 1.00 0.00 H ATOM 440 N VAL A 44 -2.892 17.158 -2.299 1.00 9.32 N ATOM 441 CA VAL A 44 -3.625 18.414 -2.206 1.00 8.42 C ATOM 442 C VAL A 44 -2.768 19.413 -1.442 1.00 10.59 C ATOM 443 O VAL A 44 -2.214 19.088 -0.386 1.00 13.14 O ATOM 444 CB VAL A 44 -4.994 18.235 -1.524 1.00 11.88 C ATOM 445 CG1 VAL A 44 -5.749 19.565 -1.471 1.00 13.74 C ATOM 446 CG2 VAL A 44 -5.808 17.188 -2.258 1.00 10.87 C ATOM 447 H VAL A 44 -2.531 16.724 -1.425 1.00 0.00 H ATOM 448 N ASN A 45 -2.637 20.620 -1.990 1.00 9.56 N ATOM 449 CA ASN A 45 -1.878 21.687 -1.338 1.00 9.41 C ATOM 450 C ASN A 45 -2.720 22.948 -1.500 1.00 9.96 C ATOM 451 O ASN A 45 -2.766 23.536 -2.582 1.00 11.69 O ATOM 452 CB ASN A 45 -0.488 21.826 -1.953 1.00 10.94 C ATOM 453 CG ASN A 45 0.374 22.835 -1.237 1.00 13.04 C ATOM 454 OD1 ASN A 45 -0.122 23.835 -0.723 1.00 14.39 O ATOM 455 ND2 ASN A 45 1.682 22.597 -1.232 1.00 12.43 N ATOM 456 HD22 ASN A 45 2.056 21.736 -1.680 1.00 0.00 H ATOM 457 HD21 ASN A 45 2.332 23.272 -0.780 1.00 0.00 H ATOM 458 H ASN A 45 -3.087 20.809 -2.908 1.00 0.00 H ATOM 459 N GLY A 46 -3.394 23.348 -0.425 1.00 15.61 N ATOM 460 CA GLY A 46 -4.338 24.451 -0.538 1.00 13.31 C ATOM 461 C GLY A 46 -5.481 24.088 -1.466 1.00 16.84 C ATOM 462 O GLY A 46 -6.118 23.035 -1.327 1.00 18.27 O ATOM 463 H GLY A 46 -3.248 22.876 0.490 1.00 0.00 H ATOM 464 N ASP A 47 -5.746 24.967 -2.432 1.00 11.81 N ATOM 465 CA ASP A 47 -6.783 24.749 -3.428 1.00 12.48 C ATOM 466 C ASP A 47 -6.307 23.922 -4.614 1.00 10.41 C ATOM 467 O ASP A 47 -7.125 23.629 -5.496 1.00 12.07 O ATOM 468 CB ASP A 47 -7.304 26.089 -3.952 1.00 18.50 C ATOM 469 CG ASP A 47 -8.054 26.886 -2.898 1.00 29.12 C ATOM 470 OD1 ASP A 47 -8.717 26.274 -2.033 1.00 28.21 O ATOM 471 OD2 ASP A 47 -7.990 28.134 -2.950 1.00 34.50 O ATOM 472 H ASP A 47 -5.189 25.844 -2.475 1.00 0.00 H ATOM 473 N VAL A 48 -5.020 23.559 -4.673 1.00 9.77 N ATOM 474 CA VAL A 48 -4.433 22.916 -5.848 1.00 7.68 C ATOM 475 C VAL A 48 -4.361 21.418 -5.596 1.00 7.03 C ATOM 476 O VAL A 48 -3.733 20.970 -4.631 1.00 7.77 O ATOM 477 CB VAL A 48 -3.030 23.465 -6.164 1.00 9.40 C ATOM 478 CG1 VAL A 48 -2.461 22.816 -7.432 1.00 10.60 C ATOM 479 CG2 VAL A 48 -3.068 24.969 -6.327 1.00 12.87 C ATOM 480 H VAL A 48 -4.412 23.742 -3.849 1.00 0.00 H ATOM 481 N ILE A 49 -4.978 20.647 -6.487 1.00 6.55 N ATOM 482 CA ILE A 49 -4.892 19.194 -6.495 1.00 6.14 C ATOM 483 C ILE A 49 -3.891 18.776 -7.565 1.00 6.49 C ATOM 484 O ILE A 49 -3.939 19.274 -8.700 1.00 7.28 O ATOM 485 CB ILE A 49 -6.270 18.568 -6.774 1.00 6.88 C ATOM 486 CG1 ILE A 49 -7.292 19.068 -5.754 1.00 9.55 C ATOM 487 CG2 ILE A 49 -6.165 17.054 -6.803 1.00 7.48 C ATOM 488 CD1 ILE A 49 -8.731 18.642 -6.071 1.00 16.22 C ATOM 489 H ILE A 49 -5.554 21.108 -7.219 1.00 0.00 H ATOM 490 N THR A 50 -3.005 17.849 -7.229 1.00 6.07 N ATOM 491 CA THR A 50 -2.043 17.341 -8.199 1.00 6.87 C ATOM 492 C THR A 50 -2.230 15.838 -8.332 1.00 6.35 C ATOM 493 O THR A 50 -2.275 15.121 -7.329 1.00 7.15 O ATOM 494 CB THR A 50 -0.596 17.666 -7.796 1.00 9.13 C ATOM 495 OG1 THR A 50 -0.397 19.080 -7.715 1.00 11.62 O ATOM 496 CG2 THR A 50 0.342 17.169 -8.851 1.00 12.22 C ATOM 497 HG1 THR A 50 -1.011 19.460 -7.038 1.00 0.00 H ATOM 498 H THR A 50 -2.996 17.478 -6.257 1.00 0.00 H ATOM 499 N ILE A 51 -2.378 15.365 -9.566 1.00 6.59 N ATOM 500 CA ILE A 51 -2.470 13.937 -9.856 1.00 6.38 C ATOM 501 C ILE A 51 -1.304 13.579 -10.761 1.00 7.12 C ATOM 502 O ILE A 51 -1.210 14.088 -11.884 1.00 7.00 O ATOM 503 CB ILE A 51 -3.793 13.559 -10.533 1.00 6.97 C ATOM 504 CG1 ILE A 51 -4.969 13.952 -9.649 1.00 7.10 C ATOM 505 CG2 ILE A 51 -3.833 12.061 -10.783 1.00 7.77 C ATOM 506 CD1 ILE A 51 -6.320 13.630 -10.259 1.00 12.25 C ATOM 507 H ILE A 51 -2.430 16.039 -10.356 1.00 0.00 H ATOM 508 N LYS A 52 -0.414 12.732 -10.263 1.00 8.41 N ATOM 509 CA LYS A 52 0.713 12.222 -11.030 1.00 10.15 C ATOM 510 C LYS A 52 0.432 10.775 -11.399 1.00 11.31 C ATOM 511 O LYS A 52 -0.140 10.018 -10.606 1.00 11.64 O ATOM 512 CB LYS A 52 2.028 12.271 -10.240 1.00 11.62 C ATOM 513 CG LYS A 52 2.570 13.631 -9.860 1.00 18.96 C ATOM 514 CD LYS A 52 1.729 14.308 -8.805 1.00 23.38 C ATOM 515 CE LYS A 52 2.056 13.915 -7.361 1.00 28.80 C ATOM 516 NZ LYS A 52 0.897 14.247 -6.445 1.00 15.74 N ATOM 517 HZ1 LYS A 52 0.708 15.269 -6.483 1.00 0.00 H ATOM 518 HZ2 LYS A 52 0.052 13.726 -6.754 1.00 0.00 H ATOM 519 HZ3 LYS A 52 1.137 13.973 -5.471 1.00 0.00 H ATOM 520 H LYS A 52 -0.526 12.417 -9.278 1.00 0.00 H ATOM 521 N SER A 53 0.869 10.379 -12.586 1.00 9.24 N ATOM 522 CA SER A 53 0.820 8.983 -12.989 1.00 9.33 C ATOM 523 C SER A 53 2.200 8.561 -13.457 1.00 10.69 C ATOM 524 O SER A 53 2.792 9.218 -14.315 1.00 14.08 O ATOM 525 CB SER A 53 -0.202 8.760 -14.096 1.00 13.66 C ATOM 526 OG SER A 53 -0.380 7.365 -14.331 1.00 20.19 O ATOM 527 HG SER A 53 -1.046 7.235 -15.052 1.00 0.00 H ATOM 528 H SER A 53 1.256 11.084 -13.245 1.00 0.00 H ATOM 529 N GLU A 54 2.712 7.476 -12.891 1.00 11.99 N ATOM 530 CA GLU A 54 3.990 6.919 -13.306 1.00 10.78 C ATOM 531 C GLU A 54 3.758 5.529 -13.863 1.00 11.86 C ATOM 532 O GLU A 54 3.138 4.689 -13.201 1.00 10.59 O ATOM 533 CB GLU A 54 4.960 6.850 -12.134 1.00 16.28 C ATOM 534 CG GLU A 54 5.353 8.204 -11.595 1.00 23.10 C ATOM 535 CD GLU A 54 6.475 8.090 -10.603 1.00 26.24 C ATOM 536 OE1 GLU A 54 7.360 8.973 -10.596 1.00 36.79 O ATOM 537 OE2 GLU A 54 6.462 7.101 -9.835 1.00 30.05 O ATOM 538 H GLU A 54 2.183 7.009 -12.127 1.00 0.00 H ATOM 539 N SER A 55 4.262 5.274 -15.065 1.00 11.13 N ATOM 540 CA SER A 55 4.212 3.914 -15.579 1.00 14.71 C ATOM 541 C SER A 55 5.327 3.722 -16.593 1.00 13.91 C ATOM 542 O SER A 55 6.085 4.646 -16.901 1.00 16.14 O ATOM 543 CB SER A 55 2.843 3.581 -16.190 1.00 17.66 C ATOM 544 OG SER A 55 2.695 4.142 -17.476 1.00 14.81 O ATOM 545 HG SER A 55 2.779 5.127 -17.417 1.00 0.00 H ATOM 546 H SER A 55 4.687 6.036 -15.631 1.00 0.00 H ATOM 547 N THR A 56 5.437 2.487 -17.089 1.00 14.49 N ATOM 548 CA THR A 56 6.365 2.199 -18.174 1.00 16.08 C ATOM 549 C THR A 56 5.927 2.830 -19.484 1.00 18.32 C ATOM 550 O THR A 56 6.754 2.985 -20.386 1.00 20.57 O ATOM 551 CB THR A 56 6.505 0.686 -18.359 1.00 17.22 C ATOM 552 OG1 THR A 56 5.203 0.117 -18.556 1.00 20.22 O ATOM 553 CG2 THR A 56 7.133 0.062 -17.129 1.00 15.20 C ATOM 554 HG1 THR A 56 5.287 -0.862 -18.676 1.00 0.00 H ATOM 555 H THR A 56 4.853 1.722 -16.696 1.00 0.00 H ATOM 556 N PHE A 57 4.645 3.185 -19.609 1.00 13.02 N ATOM 557 CA PHE A 57 4.133 3.802 -20.827 1.00 15.83 C ATOM 558 C PHE A 57 4.486 5.282 -20.872 1.00 18.65 C ATOM 559 O PHE A 57 5.230 5.730 -21.749 1.00 20.57 O ATOM 560 CB PHE A 57 2.620 3.601 -20.909 1.00 15.53 C ATOM 561 CG PHE A 57 1.956 4.371 -22.012 1.00 16.58 C ATOM 562 CD1 PHE A 57 2.346 4.204 -23.334 1.00 18.84 C ATOM 563 CD2 PHE A 57 0.902 5.224 -21.735 1.00 18.16 C ATOM 564 CE1 PHE A 57 1.721 4.913 -24.357 1.00 17.49 C ATOM 565 CE2 PHE A 57 0.267 5.928 -22.745 1.00 18.97 C ATOM 566 CZ PHE A 57 0.680 5.774 -24.064 1.00 18.00 C ATOM 567 H PHE A 57 3.994 3.017 -18.816 1.00 0.00 H ATOM 568 N LYS A 58 3.975 6.050 -19.917 1.00 20.10 N ATOM 569 CA LYS A 58 4.280 7.467 -19.833 1.00 18.55 C ATOM 570 C LYS A 58 4.256 7.878 -18.373 1.00 18.74 C ATOM 571 O LYS A 58 3.674 7.198 -17.521 1.00 19.24 O ATOM 572 CB LYS A 58 3.278 8.314 -20.627 1.00 21.36 C ATOM 573 CG LYS A 58 3.558 8.419 -22.105 1.00 27.50 C ATOM 574 CD LYS A 58 3.986 9.834 -22.487 1.00 30.92 C ATOM 575 CE LYS A 58 5.172 10.316 -21.665 1.00 34.47 C ATOM 576 NZ LYS A 58 5.717 11.610 -22.167 1.00 42.98 N ATOM 577 HZ1 LYS A 58 6.032 11.494 -23.151 1.00 0.00 H ATOM 578 HZ2 LYS A 58 4.975 12.338 -22.122 1.00 0.00 H ATOM 579 HZ3 LYS A 58 6.523 11.898 -21.576 1.00 0.00 H ATOM 580 H LYS A 58 3.340 5.626 -19.211 1.00 0.00 H ATOM 581 N ASN A 59 4.923 8.986 -18.089 1.00 13.02 N ATOM 582 CA ASN A 59 4.765 9.694 -16.828 1.00 13.58 C ATOM 583 C ASN A 59 4.007 10.978 -17.123 1.00 17.85 C ATOM 584 O ASN A 59 4.347 11.695 -18.069 1.00 18.67 O ATOM 585 CB ASN A 59 6.118 9.996 -16.184 1.00 16.18 C ATOM 586 CG ASN A 59 6.869 8.740 -15.771 1.00 19.98 C ATOM 587 OD1 ASN A 59 6.274 7.698 -15.493 1.00 15.47 O ATOM 588 ND2 ASN A 59 8.196 8.833 -15.745 1.00 33.07 N ATOM 589 HD22 ASN A 59 8.659 9.732 -15.987 1.00 0.00 H ATOM 590 HD21 ASN A 59 8.770 8.006 -15.483 1.00 0.00 H ATOM 591 H ASN A 59 5.586 9.365 -18.795 1.00 0.00 H ATOM 592 N THR A 60 2.953 11.244 -16.353 1.00 13.61 N ATOM 593 CA THR A 60 2.160 12.450 -16.540 1.00 12.18 C ATOM 594 C THR A 60 1.937 13.120 -15.194 1.00 10.22 C ATOM 595 O THR A 60 2.008 12.484 -14.144 1.00 11.57 O ATOM 596 CB THR A 60 0.795 12.164 -17.173 1.00 14.06 C ATOM 597 OG1 THR A 60 0.001 11.393 -16.255 1.00 15.17 O ATOM 598 CG2 THR A 60 0.945 11.407 -18.488 1.00 19.03 C ATOM 599 HG1 THR A 60 -0.121 11.904 -15.416 1.00 0.00 H ATOM 600 H THR A 60 2.691 10.575 -15.601 1.00 0.00 H ATOM 601 N GLU A 61 1.650 14.418 -15.243 1.00 11.13 N ATOM 602 CA GLU A 61 1.299 15.157 -14.037 1.00 11.02 C ATOM 603 C GLU A 61 0.368 16.296 -14.414 1.00 12.40 C ATOM 604 O GLU A 61 0.654 17.044 -15.360 1.00 11.90 O ATOM 605 CB GLU A 61 2.547 15.700 -13.341 1.00 15.36 C ATOM 606 CG GLU A 61 2.244 16.572 -12.129 1.00 18.09 C ATOM 607 CD GLU A 61 3.507 17.154 -11.508 1.00 27.98 C ATOM 608 OE1 GLU A 61 4.557 16.479 -11.574 1.00 33.01 O ATOM 609 OE2 GLU A 61 3.457 18.289 -10.979 1.00 27.79 O ATOM 610 H GLU A 61 1.677 14.914 -16.157 1.00 0.00 H ATOM 611 N ILE A 62 -0.742 16.416 -13.688 1.00 8.24 N ATOM 612 CA ILE A 62 -1.648 17.546 -13.831 1.00 8.20 C ATOM 613 C ILE A 62 -1.852 18.182 -12.468 1.00 6.88 C ATOM 614 O ILE A 62 -1.922 17.487 -11.449 1.00 8.13 O ATOM 615 CB ILE A 62 -3.002 17.151 -14.463 1.00 8.23 C ATOM 616 CG1 ILE A 62 -3.738 16.113 -13.629 1.00 8.91 C ATOM 617 CG2 ILE A 62 -2.789 16.614 -15.890 1.00 11.95 C ATOM 618 CD1 ILE A 62 -5.167 15.878 -14.076 1.00 11.78 C ATOM 619 H ILE A 62 -0.970 15.676 -12.994 1.00 0.00 H ATOM 620 N SER A 63 -1.931 19.513 -12.455 1.00 6.18 N ATOM 621 CA SER A 63 -2.298 20.281 -11.273 1.00 6.29 C ATOM 622 C SER A 63 -3.452 21.193 -11.652 1.00 8.94 C ATOM 623 O SER A 63 -3.471 21.746 -12.757 1.00 8.47 O ATOM 624 CB SER A 63 -1.127 21.102 -10.742 1.00 9.97 C ATOM 625 OG SER A 63 -0.105 20.246 -10.282 1.00 9.97 O ATOM 626 HG SER A 63 -0.458 19.674 -9.555 1.00 0.00 H ATOM 627 H SER A 63 -1.720 20.029 -13.333 1.00 0.00 H ATOM 628 N PHE A 64 -4.414 21.351 -10.743 1.00 6.54 N ATOM 629 CA PHE A 64 -5.634 22.055 -11.121 1.00 5.71 C ATOM 630 C PHE A 64 -6.380 22.519 -9.883 1.00 5.45 C ATOM 631 O PHE A 64 -6.155 22.036 -8.769 1.00 6.33 O ATOM 632 CB PHE A 64 -6.547 21.164 -11.972 1.00 6.28 C ATOM 633 CG PHE A 64 -6.940 19.875 -11.291 1.00 7.44 C ATOM 634 CD1 PHE A 64 -6.133 18.743 -11.379 1.00 6.93 C ATOM 635 CD2 PHE A 64 -8.123 19.794 -10.562 1.00 9.08 C ATOM 636 CE1 PHE A 64 -6.495 17.579 -10.742 1.00 6.85 C ATOM 637 CE2 PHE A 64 -8.484 18.625 -9.914 1.00 7.11 C ATOM 638 CZ PHE A 64 -7.682 17.520 -10.015 1.00 7.29 C ATOM 639 H PHE A 64 -4.296 20.978 -9.779 1.00 0.00 H ATOM 640 N ILE A 65 -7.266 23.485 -10.108 1.00 7.14 N ATOM 641 CA ILE A 65 -8.196 23.969 -9.098 1.00 7.90 C ATOM 642 C ILE A 65 -9.595 23.557 -9.536 1.00 5.49 C ATOM 643 O ILE A 65 -9.916 23.618 -10.728 1.00 7.23 O ATOM 644 CB ILE A 65 -8.055 25.496 -8.944 1.00 8.47 C ATOM 645 CG1 ILE A 65 -6.669 25.823 -8.376 1.00 8.66 C ATOM 646 CG2 ILE A 65 -9.120 26.049 -8.033 1.00 8.89 C ATOM 647 CD1 ILE A 65 -6.363 27.310 -8.349 1.00 14.57 C ATOM 648 H ILE A 65 -7.296 23.917 -11.054 1.00 0.00 H ATOM 649 N LEU A 66 -10.419 23.106 -8.588 1.00 6.69 N ATOM 650 CA LEU A 66 -11.733 22.594 -8.965 1.00 7.73 C ATOM 651 C LEU A 66 -12.546 23.663 -9.697 1.00 8.70 C ATOM 652 O LEU A 66 -12.599 24.829 -9.285 1.00 9.33 O ATOM 653 CB LEU A 66 -12.480 22.085 -7.727 1.00 8.46 C ATOM 654 CG LEU A 66 -11.916 20.813 -7.074 1.00 10.81 C ATOM 655 CD1 LEU A 66 -12.641 20.507 -5.761 1.00 12.32 C ATOM 656 CD2 LEU A 66 -12.013 19.632 -8.005 1.00 9.33 C ATOM 657 H LEU A 66 -10.128 23.119 -7.590 1.00 0.00 H ATOM 658 N GLY A 67 -13.156 23.266 -10.817 1.00 7.68 N ATOM 659 CA GLY A 67 -14.028 24.123 -11.592 1.00 8.25 C ATOM 660 C GLY A 67 -13.335 25.056 -12.561 1.00 8.71 C ATOM 661 O GLY A 67 -14.024 25.798 -13.272 1.00 9.37 O ATOM 662 H GLY A 67 -12.997 22.293 -11.149 1.00 0.00 H ATOM 663 N GLN A 68 -12.007 25.032 -12.630 1.00 6.27 N ATOM 664 CA GLN A 68 -11.232 25.975 -13.432 1.00 6.48 C ATOM 665 C GLN A 68 -10.541 25.226 -14.561 1.00 8.42 C ATOM 666 O GLN A 68 -9.684 24.375 -14.311 1.00 8.03 O ATOM 667 CB GLN A 68 -10.211 26.719 -12.566 1.00 8.60 C ATOM 668 CG GLN A 68 -10.871 27.436 -11.395 1.00 11.15 C ATOM 669 CD GLN A 68 -9.984 28.463 -10.717 1.00 15.34 C ATOM 670 OE1 GLN A 68 -8.846 28.693 -11.117 1.00 18.85 O ATOM 671 NE2 GLN A 68 -10.525 29.105 -9.684 1.00 18.71 N ATOM 672 HE22 GLN A 68 -11.493 28.877 -9.379 1.00 0.00 H ATOM 673 HE21 GLN A 68 -9.980 29.834 -9.181 1.00 0.00 H ATOM 674 H GLN A 68 -11.496 24.307 -12.087 1.00 0.00 H ATOM 675 N GLU A 69 -10.883 25.582 -15.799 1.00 8.18 N ATOM 676 CA GLU A 69 -10.376 24.871 -16.967 1.00 6.81 C ATOM 677 C GLU A 69 -8.856 24.995 -17.086 1.00 10.10 C ATOM 678 O GLU A 69 -8.271 26.036 -16.759 1.00 9.80 O ATOM 679 CB GLU A 69 -11.047 25.420 -18.232 1.00 12.68 C ATOM 680 CG GLU A 69 -10.719 24.647 -19.504 1.00 12.07 C ATOM 681 CD GLU A 69 -11.431 25.206 -20.724 1.00 22.60 C ATOM 682 OE1 GLU A 69 -11.187 26.387 -21.058 1.00 28.07 O ATOM 683 OE2 GLU A 69 -12.220 24.468 -21.358 1.00 25.47 O ATOM 684 H GLU A 69 -11.527 26.387 -15.935 1.00 0.00 H ATOM 685 N PHE A 70 -8.216 23.929 -17.579 1.00 8.20 N ATOM 686 CA PHE A 70 -6.778 23.937 -17.822 1.00 7.62 C ATOM 687 C PHE A 70 -6.440 23.157 -19.085 1.00 8.91 C ATOM 688 O PHE A 70 -7.256 22.409 -19.625 1.00 9.21 O ATOM 689 CB PHE A 70 -5.995 23.361 -16.636 1.00 8.00 C ATOM 690 CG PHE A 70 -6.377 21.951 -16.253 1.00 8.27 C ATOM 691 CD1 PHE A 70 -7.486 21.711 -15.459 1.00 7.98 C ATOM 692 CD2 PHE A 70 -5.598 20.864 -16.654 1.00 8.85 C ATOM 693 CE1 PHE A 70 -7.832 20.409 -15.100 1.00 7.98 C ATOM 694 CE2 PHE A 70 -5.927 19.560 -16.292 1.00 9.36 C ATOM 695 CZ PHE A 70 -7.047 19.325 -15.499 1.00 8.68 C ATOM 696 H PHE A 70 -8.760 23.069 -17.795 1.00 0.00 H ATOM 697 N ASP A 71 -5.202 23.357 -19.555 1.00 9.55 N ATOM 698 CA ASP A 71 -4.651 22.610 -20.680 1.00 11.52 C ATOM 699 C ASP A 71 -4.017 21.313 -20.204 1.00 10.80 C ATOM 700 O ASP A 71 -3.279 21.292 -19.214 1.00 13.33 O ATOM 701 CB ASP A 71 -3.590 23.435 -21.411 1.00 13.34 C ATOM 702 CG ASP A 71 -4.162 24.662 -22.056 1.00 17.25 C ATOM 703 OD1 ASP A 71 -5.132 24.504 -22.818 1.00 19.32 O ATOM 704 OD2 ASP A 71 -3.643 25.778 -21.793 1.00 17.35 O ATOM 705 H ASP A 71 -4.607 24.077 -19.097 1.00 0.00 H ATOM 706 N GLU A 72 -4.287 20.227 -20.926 1.00 9.68 N ATOM 707 CA GLU A 72 -3.735 18.930 -20.567 1.00 12.11 C ATOM 708 C GLU A 72 -3.269 18.247 -21.844 1.00 12.30 C ATOM 709 O GLU A 72 -3.992 18.241 -22.842 1.00 14.22 O ATOM 710 CB GLU A 72 -4.778 18.062 -19.830 1.00 10.86 C ATOM 711 CG GLU A 72 -4.283 16.679 -19.385 1.00 11.54 C ATOM 712 CD GLU A 72 -5.380 15.802 -18.777 1.00 13.11 C ATOM 713 OE1 GLU A 72 -6.563 16.215 -18.779 1.00 14.49 O ATOM 714 OE2 GLU A 72 -5.057 14.692 -18.299 1.00 16.10 O ATOM 715 H GLU A 72 -4.903 20.308 -21.760 1.00 0.00 H ATOM 716 N VAL A 73 -2.054 17.714 -21.825 1.00 12.45 N ATOM 717 CA VAL A 73 -1.607 16.778 -22.851 1.00 14.03 C ATOM 718 C VAL A 73 -1.680 15.392 -22.226 1.00 13.36 C ATOM 719 O VAL A 73 -0.950 15.074 -21.284 1.00 15.26 O ATOM 720 CB VAL A 73 -0.200 17.103 -23.365 1.00 19.20 C ATOM 721 CG1 VAL A 73 0.188 16.097 -24.434 1.00 19.96 C ATOM 722 CG2 VAL A 73 -0.149 18.531 -23.915 1.00 21.46 C ATOM 723 H VAL A 73 -1.402 17.971 -21.057 1.00 0.00 H ATOM 724 N THR A 74 -2.591 14.573 -22.735 1.00 11.28 N ATOM 725 CA THR A 74 -2.876 13.277 -22.143 1.00 12.46 C ATOM 726 C THR A 74 -1.767 12.274 -22.456 1.00 13.83 C ATOM 727 O THR A 74 -0.905 12.502 -23.306 1.00 15.17 O ATOM 728 CB THR A 74 -4.203 12.760 -22.665 1.00 13.14 C ATOM 729 OG1 THR A 74 -4.095 12.544 -24.080 1.00 12.76 O ATOM 730 CG2 THR A 74 -5.296 13.778 -22.407 1.00 10.66 C ATOM 731 HG1 THR A 74 -3.383 11.879 -24.258 1.00 0.00 H ATOM 732 H THR A 74 -3.117 14.867 -23.583 1.00 0.00 H ATOM 733 N ALA A 75 -1.821 11.130 -21.770 1.00 14.92 N ATOM 734 CA ALA A 75 -0.793 10.108 -21.955 1.00 16.22 C ATOM 735 C ALA A 75 -0.760 9.599 -23.387 1.00 17.35 C ATOM 736 O ALA A 75 0.311 9.235 -23.892 1.00 19.42 O ATOM 737 CB ALA A 75 -1.019 8.948 -20.993 1.00 15.46 C ATOM 738 H ALA A 75 -2.599 10.965 -21.100 1.00 0.00 H ATOM 739 N ASP A 76 -1.909 9.557 -24.057 1.00 13.68 N ATOM 740 CA ASP A 76 -1.966 9.143 -25.453 1.00 14.67 C ATOM 741 C ASP A 76 -1.727 10.300 -26.422 1.00 17.73 C ATOM 742 O ASP A 76 -1.952 10.140 -27.626 1.00 22.33 O ATOM 743 CB ASP A 76 -3.309 8.472 -25.744 1.00 18.86 C ATOM 744 CG ASP A 76 -4.488 9.362 -25.427 1.00 18.26 C ATOM 745 OD1 ASP A 76 -4.544 9.928 -24.305 1.00 14.11 O ATOM 746 OD2 ASP A 76 -5.373 9.485 -26.300 1.00 16.36 O ATOM 747 H ASP A 76 -2.789 9.826 -23.572 1.00 0.00 H ATOM 748 N ASP A 77 -1.294 11.457 -25.908 1.00 17.96 N ATOM 749 CA ASP A 77 -0.837 12.621 -26.664 1.00 19.73 C ATOM 750 C ASP A 77 -1.964 13.395 -27.333 1.00 21.24 C ATOM 751 O ASP A 77 -1.777 13.973 -28.409 1.00 22.53 O ATOM 752 CB ASP A 77 0.205 12.223 -27.715 1.00 24.94 C ATOM 753 CG ASP A 77 1.268 13.290 -27.900 1.00 30.21 C ATOM 754 OD1 ASP A 77 1.839 13.733 -26.881 1.00 38.41 O ATOM 755 OD2 ASP A 77 1.535 13.694 -29.050 1.00 40.52 O ATOM 756 H ASP A 77 -1.282 11.535 -24.871 1.00 0.00 H ATOM 757 N ARG A 78 -3.136 13.433 -26.712 1.00 13.54 N ATOM 758 CA ARG A 78 -4.151 14.385 -27.122 1.00 11.80 C ATOM 759 C ARG A 78 -3.904 15.685 -26.379 1.00 13.94 C ATOM 760 O ARG A 78 -3.483 15.674 -25.220 1.00 13.52 O ATOM 761 CB ARG A 78 -5.565 13.886 -26.822 1.00 12.62 C ATOM 762 CG ARG A 78 -6.070 12.765 -27.704 1.00 14.22 C ATOM 763 CD ARG A 78 -7.385 12.217 -27.151 1.00 13.67 C ATOM 764 NE ARG A 78 -7.135 11.484 -25.918 1.00 12.71 N ATOM 765 CZ ARG A 78 -7.784 11.671 -24.768 1.00 14.10 C ATOM 766 NH1 ARG A 78 -8.762 12.568 -24.669 1.00 11.69 N ATOM 767 NH2 ARG A 78 -7.453 10.940 -23.712 1.00 14.71 N ATOM 768 HE ARG A 78 -6.391 10.757 -25.935 1.00 0.00 H ATOM 769 HH12 ARG A 78 -9.257 12.700 -23.764 1.00 0.00 H ATOM 770 HH11 ARG A 78 -9.031 13.137 -25.497 1.00 0.00 H ATOM 771 HH22 ARG A 78 -7.951 11.075 -22.809 1.00 0.00 H ATOM 772 HH21 ARG A 78 -6.696 10.231 -23.787 1.00 0.00 H ATOM 773 H ARG A 78 -3.328 12.777 -25.928 1.00 0.00 H ATOM 774 N LYS A 79 -4.146 16.798 -27.054 1.00 11.75 N ATOM 775 CA LYS A 79 -4.088 18.121 -26.436 1.00 12.78 C ATOM 776 C LYS A 79 -5.525 18.528 -26.148 1.00 12.11 C ATOM 777 O LYS A 79 -6.295 18.807 -27.071 1.00 15.51 O ATOM 778 CB LYS A 79 -3.393 19.128 -27.351 1.00 15.89 C ATOM 779 CG LYS A 79 -1.875 19.128 -27.234 1.00 21.65 C ATOM 780 CD LYS A 79 -1.258 17.829 -27.747 1.00 25.45 C ATOM 781 CE LYS A 79 0.155 18.048 -28.286 1.00 28.62 C ATOM 782 NZ LYS A 79 1.053 16.887 -27.994 1.00 32.66 N ATOM 783 HZ1 LYS A 79 1.115 16.749 -26.965 1.00 0.00 H ATOM 784 HZ2 LYS A 79 0.665 16.030 -28.437 1.00 0.00 H ATOM 785 HZ3 LYS A 79 2.001 17.078 -28.377 1.00 0.00 H ATOM 786 H LYS A 79 -4.387 16.728 -28.063 1.00 0.00 H ATOM 787 N VAL A 80 -5.897 18.550 -24.870 1.00 10.77 N ATOM 788 CA VAL A 80 -7.295 18.699 -24.503 1.00 10.24 C ATOM 789 C VAL A 80 -7.464 19.892 -23.569 1.00 8.72 C ATOM 790 O VAL A 80 -6.510 20.397 -22.971 1.00 10.24 O ATOM 791 CB VAL A 80 -7.853 17.414 -23.849 1.00 8.70 C ATOM 792 CG1 VAL A 80 -7.552 16.193 -24.713 1.00 10.61 C ATOM 793 CG2 VAL A 80 -7.264 17.209 -22.448 1.00 8.54 C ATOM 794 H VAL A 80 -5.178 18.459 -24.124 1.00 0.00 H ATOM 795 N LYS A 81 -8.707 20.344 -23.467 1.00 8.11 N ATOM 796 CA LYS A 81 -9.132 21.297 -22.453 1.00 9.02 C ATOM 797 C LYS A 81 -9.891 20.521 -21.386 1.00 10.97 C ATOM 798 O LYS A 81 -10.885 19.857 -21.697 1.00 10.89 O ATOM 799 CB LYS A 81 -10.014 22.393 -23.049 1.00 11.00 C ATOM 800 CG LYS A 81 -9.344 23.204 -24.140 1.00 17.73 C ATOM 801 CD LYS A 81 -8.365 24.201 -23.567 1.00 16.37 C ATOM 802 CE LYS A 81 -7.866 25.136 -24.671 1.00 21.74 C ATOM 803 NZ LYS A 81 -6.701 25.942 -24.217 1.00 28.52 N ATOM 804 HZ1 LYS A 81 -6.978 26.518 -23.397 1.00 0.00 H ATOM 805 HZ2 LYS A 81 -5.924 25.305 -23.948 1.00 0.00 H ATOM 806 HZ3 LYS A 81 -6.389 26.564 -24.990 1.00 0.00 H ATOM 807 H LYS A 81 -9.414 19.999 -24.147 1.00 0.00 H ATOM 808 N SER A 82 -9.415 20.590 -20.142 1.00 7.66 N ATOM 809 CA SER A 82 -9.943 19.780 -19.048 1.00 5.37 C ATOM 810 C SER A 82 -10.562 20.654 -17.970 1.00 7.10 C ATOM 811 O SER A 82 -10.042 21.722 -17.665 1.00 7.30 O ATOM 812 CB SER A 82 -8.849 18.943 -18.410 1.00 7.90 C ATOM 813 OG SER A 82 -8.442 17.918 -19.305 1.00 10.96 O ATOM 814 HG SER A 82 -7.729 17.377 -18.883 1.00 0.00 H ATOM 815 H SER A 82 -8.635 21.248 -19.943 1.00 0.00 H ATOM 816 N THR A 83 -11.669 20.198 -17.391 1.00 6.27 N ATOM 817 CA THR A 83 -12.248 20.801 -16.197 1.00 6.88 C ATOM 818 C THR A 83 -12.595 19.684 -15.232 1.00 9.28 C ATOM 819 O THR A 83 -13.210 18.692 -15.635 1.00 7.65 O ATOM 820 CB THR A 83 -13.505 21.603 -16.522 1.00 8.81 C ATOM 821 OG1 THR A 83 -13.209 22.543 -17.569 1.00 12.25 O ATOM 822 CG2 THR A 83 -13.988 22.369 -15.297 1.00 10.97 C ATOM 823 HG1 THR A 83 -14.023 23.065 -17.782 1.00 0.00 H ATOM 824 H THR A 83 -12.144 19.373 -17.810 1.00 0.00 H ATOM 825 N ILE A 84 -12.215 19.840 -13.968 1.00 6.51 N ATOM 826 CA ILE A 84 -12.462 18.827 -12.949 1.00 4.86 C ATOM 827 C ILE A 84 -13.265 19.463 -11.830 1.00 8.04 C ATOM 828 O ILE A 84 -12.906 20.539 -11.334 1.00 7.07 O ATOM 829 CB ILE A 84 -11.152 18.226 -12.414 1.00 5.90 C ATOM 830 CG1 ILE A 84 -10.407 17.550 -13.565 1.00 6.63 C ATOM 831 CG2 ILE A 84 -11.443 17.215 -11.334 1.00 6.72 C ATOM 832 CD1 ILE A 84 -9.063 16.943 -13.158 1.00 7.82 C ATOM 833 H ILE A 84 -11.724 20.716 -13.696 1.00 0.00 H ATOM 834 N THR A 85 -14.361 18.813 -11.456 1.00 5.46 N ATOM 835 CA THR A 85 -15.215 19.292 -10.387 1.00 6.58 C ATOM 836 C THR A 85 -15.473 18.163 -9.400 1.00 7.23 C ATOM 837 O THR A 85 -15.218 16.996 -9.683 1.00 8.92 O ATOM 838 CB THR A 85 -16.538 19.816 -10.939 1.00 12.33 C ATOM 839 OG1 THR A 85 -17.145 18.792 -11.731 1.00 13.53 O ATOM 840 CG2 THR A 85 -16.299 21.050 -11.835 1.00 13.76 C ATOM 841 HG1 THR A 85 -16.541 18.552 -12.478 1.00 0.00 H ATOM 842 H THR A 85 -14.615 17.932 -11.946 1.00 0.00 H ATOM 843 N LEU A 86 -15.985 18.523 -8.232 1.00 9.95 N ATOM 844 CA LEU A 86 -16.391 17.563 -7.216 1.00 11.01 C ATOM 845 C LEU A 86 -17.909 17.543 -7.199 1.00 14.58 C ATOM 846 O LEU A 86 -18.535 18.582 -6.960 1.00 17.98 O ATOM 847 CB LEU A 86 -15.856 17.947 -5.837 1.00 15.35 C ATOM 848 CG LEU A 86 -14.668 17.220 -5.221 1.00 18.41 C ATOM 849 CD1 LEU A 86 -14.410 17.753 -3.812 1.00 18.11 C ATOM 850 CD2 LEU A 86 -14.886 15.735 -5.180 1.00 13.19 C ATOM 851 H LEU A 86 -16.102 19.537 -8.032 1.00 0.00 H ATOM 852 N ASP A 87 -18.492 16.375 -7.459 1.00 12.57 N ATOM 853 CA ASP A 87 -19.935 16.174 -7.426 1.00 16.99 C ATOM 854 C ASP A 87 -20.235 15.060 -6.432 1.00 14.67 C ATOM 855 O ASP A 87 -19.955 13.884 -6.698 1.00 15.13 O ATOM 856 CB ASP A 87 -20.473 15.850 -8.817 1.00 20.19 C ATOM 857 CG ASP A 87 -21.937 15.464 -8.803 1.00 31.12 C ATOM 858 OD1 ASP A 87 -22.711 16.098 -8.050 1.00 34.63 O ATOM 859 OD2 ASP A 87 -22.320 14.544 -9.563 1.00 36.77 O ATOM 860 H ASP A 87 -17.886 15.564 -7.698 1.00 0.00 H ATOM 861 N GLY A 88 -20.797 15.428 -5.286 1.00 15.30 N ATOM 862 CA GLY A 88 -21.144 14.453 -4.268 1.00 15.98 C ATOM 863 C GLY A 88 -20.055 13.442 -3.975 1.00 16.96 C ATOM 864 O GLY A 88 -20.296 12.232 -3.999 1.00 19.66 O ATOM 865 H GLY A 88 -20.992 16.435 -5.115 1.00 0.00 H ATOM 866 N GLY A 89 -18.842 13.923 -3.718 1.00 15.25 N ATOM 867 CA GLY A 89 -17.743 13.041 -3.382 1.00 12.55 C ATOM 868 C GLY A 89 -16.988 12.459 -4.562 1.00 14.57 C ATOM 869 O GLY A 89 -15.950 11.820 -4.354 1.00 15.97 O ATOM 870 H GLY A 89 -18.680 14.949 -3.759 1.00 0.00 H ATOM 871 N VAL A 90 -17.464 12.660 -5.789 1.00 9.22 N ATOM 872 CA VAL A 90 -16.849 12.075 -6.980 1.00 8.38 C ATOM 873 C VAL A 90 -16.083 13.154 -7.730 1.00 9.21 C ATOM 874 O VAL A 90 -16.636 14.219 -8.037 1.00 9.52 O ATOM 875 CB VAL A 90 -17.907 11.433 -7.890 1.00 9.76 C ATOM 876 CG1 VAL A 90 -17.244 10.854 -9.152 1.00 8.82 C ATOM 877 CG2 VAL A 90 -18.665 10.359 -7.136 1.00 12.65 C ATOM 878 H VAL A 90 -18.307 13.257 -5.905 1.00 0.00 H ATOM 879 N LEU A 91 -14.813 12.892 -8.045 1.00 6.00 N ATOM 880 CA LEU A 91 -14.086 13.797 -8.932 1.00 8.35 C ATOM 881 C LEU A 91 -14.511 13.533 -10.369 1.00 7.64 C ATOM 882 O LEU A 91 -14.339 12.424 -10.877 1.00 8.53 O ATOM 883 CB LEU A 91 -12.576 13.618 -8.810 1.00 10.26 C ATOM 884 CG LEU A 91 -11.858 14.223 -7.614 1.00 10.09 C ATOM 885 CD1 LEU A 91 -10.430 13.689 -7.608 1.00 14.30 C ATOM 886 CD2 LEU A 91 -11.888 15.752 -7.660 1.00 9.82 C ATOM 887 H LEU A 91 -14.343 12.048 -7.661 1.00 0.00 H ATOM 888 N VAL A 92 -15.058 14.549 -11.025 1.00 7.28 N ATOM 889 CA VAL A 92 -15.577 14.432 -12.382 1.00 6.76 C ATOM 890 C VAL A 92 -14.676 15.242 -13.297 1.00 7.26 C ATOM 891 O VAL A 92 -14.606 16.470 -13.177 1.00 8.15 O ATOM 892 CB VAL A 92 -17.029 14.921 -12.476 1.00 9.25 C ATOM 893 CG1 VAL A 92 -17.564 14.740 -13.882 1.00 12.07 C ATOM 894 CG2 VAL A 92 -17.890 14.175 -11.470 1.00 9.11 C ATOM 895 H VAL A 92 -15.119 15.471 -10.549 1.00 0.00 H ATOM 896 N HIS A 93 -14.006 14.554 -14.222 1.00 5.53 N ATOM 897 CA HIS A 93 -12.981 15.131 -15.089 1.00 8.02 C ATOM 898 C HIS A 93 -13.484 15.047 -16.528 1.00 7.24 C ATOM 899 O HIS A 93 -13.670 13.948 -17.059 1.00 7.95 O ATOM 900 CB HIS A 93 -11.675 14.365 -14.872 1.00 6.32 C ATOM 901 CG HIS A 93 -10.537 14.802 -15.735 1.00 6.41 C ATOM 902 ND1 HIS A 93 -9.286 14.230 -15.632 1.00 9.72 N ATOM 903 CD2 HIS A 93 -10.443 15.752 -16.692 1.00 9.59 C ATOM 904 CE1 HIS A 93 -8.471 14.814 -16.495 1.00 8.92 C ATOM 905 NE2 HIS A 93 -9.149 15.731 -17.159 1.00 9.30 N ATOM 906 H HIS A 93 -14.227 13.544 -14.333 1.00 0.00 H ATOM 907 N VAL A 94 -13.732 16.195 -17.157 1.00 6.18 N ATOM 908 CA VAL A 94 -14.187 16.243 -18.541 1.00 6.29 C ATOM 909 C VAL A 94 -13.041 16.740 -19.406 1.00 7.73 C ATOM 910 O VAL A 94 -12.471 17.799 -19.122 1.00 9.24 O ATOM 911 CB VAL A 94 -15.418 17.151 -18.707 1.00 9.03 C ATOM 912 CG1 VAL A 94 -15.933 17.083 -20.142 1.00 15.10 C ATOM 913 CG2 VAL A 94 -16.504 16.758 -17.710 1.00 12.47 C ATOM 914 H VAL A 94 -13.596 17.088 -16.642 1.00 0.00 H ATOM 915 N GLN A 95 -12.718 15.993 -20.459 1.00 6.30 N ATOM 916 CA GLN A 95 -11.710 16.377 -21.444 1.00 6.97 C ATOM 917 C GLN A 95 -12.415 16.679 -22.757 1.00 8.76 C ATOM 918 O GLN A 95 -13.195 15.854 -23.238 1.00 9.95 O ATOM 919 CB GLN A 95 -10.681 15.264 -21.669 1.00 8.94 C ATOM 920 CG GLN A 95 -9.839 14.875 -20.463 1.00 8.76 C ATOM 921 CD GLN A 95 -8.943 13.675 -20.743 1.00 10.30 C ATOM 922 OE1 GLN A 95 -9.185 12.907 -21.678 1.00 10.08 O ATOM 923 NE2 GLN A 95 -7.908 13.499 -19.925 1.00 10.53 N ATOM 924 HE22 GLN A 95 -7.739 14.170 -19.148 1.00 0.00 H ATOM 925 HE21 GLN A 95 -7.268 12.691 -20.062 1.00 0.00 H ATOM 926 H GLN A 95 -13.210 15.086 -20.588 1.00 0.00 H ATOM 927 N LYS A 96 -12.124 17.838 -23.347 1.00 8.04 N ATOM 928 CA LYS A 96 -12.699 18.247 -24.624 1.00 11.05 C ATOM 929 C LYS A 96 -11.588 18.447 -25.643 1.00 11.53 C ATOM 930 O LYS A 96 -10.579 19.089 -25.347 1.00 10.87 O ATOM 931 CB LYS A 96 -13.491 19.553 -24.501 1.00 14.93 C ATOM 932 CG LYS A 96 -14.420 19.644 -23.319 1.00 20.85 C ATOM 933 CD LYS A 96 -15.869 19.471 -23.765 1.00 28.09 C ATOM 934 CE LYS A 96 -16.806 19.413 -22.576 1.00 27.10 C ATOM 935 NZ LYS A 96 -18.049 18.646 -22.883 1.00 33.98 N ATOM 936 HZ1 LYS A 96 -18.551 19.102 -23.671 1.00 0.00 H ATOM 937 HZ2 LYS A 96 -17.798 17.672 -23.148 1.00 0.00 H ATOM 938 HZ3 LYS A 96 -18.662 18.631 -22.043 1.00 0.00 H ATOM 939 H LYS A 96 -11.456 18.481 -22.875 1.00 0.00 H ATOM 940 N TRP A 97 -11.776 17.910 -26.845 1.00 10.95 N ATOM 941 CA TRP A 97 -10.820 18.128 -27.920 1.00 13.36 C ATOM 942 C TRP A 97 -11.504 17.793 -29.239 1.00 18.92 C ATOM 943 O TRP A 97 -12.332 16.879 -29.293 1.00 16.71 O ATOM 944 CB TRP A 97 -9.561 17.269 -27.733 1.00 15.62 C ATOM 945 CG TRP A 97 -9.770 15.839 -28.123 1.00 13.33 C ATOM 946 CD1 TRP A 97 -9.305 15.224 -29.250 1.00 17.06 C ATOM 947 CD2 TRP A 97 -10.505 14.843 -27.396 1.00 12.93 C ATOM 948 NE1 TRP A 97 -9.704 13.907 -29.269 1.00 15.73 N ATOM 949 CE2 TRP A 97 -10.442 13.649 -28.143 1.00 13.10 C ATOM 950 CE3 TRP A 97 -11.208 14.846 -26.186 1.00 11.08 C ATOM 951 CZ2 TRP A 97 -11.057 12.470 -27.728 1.00 13.17 C ATOM 952 CZ3 TRP A 97 -11.821 13.668 -25.769 1.00 10.51 C ATOM 953 CH2 TRP A 97 -11.738 12.496 -26.543 1.00 10.61 C ATOM 954 HE1 TRP A 97 -9.482 13.219 -30.017 1.00 0.00 H ATOM 955 H TRP A 97 -12.619 17.326 -27.019 1.00 0.00 H ATOM 956 N ASP A 98 -11.180 18.557 -30.285 1.00 21.70 N ATOM 957 CA ASP A 98 -11.626 18.250 -31.651 1.00 21.31 C ATOM 958 C ASP A 98 -13.128 17.983 -31.723 1.00 20.21 C ATOM 959 O ASP A 98 -13.587 17.103 -32.454 1.00 26.35 O ATOM 960 CB ASP A 98 -10.856 17.059 -32.230 1.00 23.45 C ATOM 961 CG ASP A 98 -9.358 17.308 -32.325 1.00 32.27 C ATOM 962 OD1 ASP A 98 -8.962 18.445 -32.656 1.00 40.27 O ATOM 963 OD2 ASP A 98 -8.577 16.354 -32.114 1.00 37.83 O ATOM 964 H ASP A 98 -10.591 19.399 -30.127 1.00 0.00 H ATOM 965 N GLY A 99 -13.906 18.738 -30.953 1.00 21.79 N ATOM 966 CA GLY A 99 -15.339 18.538 -30.929 1.00 22.56 C ATOM 967 C GLY A 99 -15.814 17.285 -30.227 1.00 23.75 C ATOM 968 O GLY A 99 -17.019 17.006 -30.246 1.00 26.22 O ATOM 969 H GLY A 99 -13.480 19.480 -30.362 1.00 0.00 H ATOM 970 N LYS A 100 -14.917 16.524 -29.609 1.00 15.70 N ATOM 971 CA LYS A 100 -15.254 15.342 -28.830 1.00 16.90 C ATOM 972 C LYS A 100 -15.102 15.644 -27.344 1.00 15.21 C ATOM 973 O LYS A 100 -14.488 16.635 -26.940 1.00 13.46 O ATOM 974 CB LYS A 100 -14.354 14.162 -29.212 1.00 14.53 C ATOM 975 CG LYS A 100 -14.391 13.789 -30.689 1.00 19.90 C ATOM 976 CD LYS A 100 -13.121 13.056 -31.072 1.00 20.83 C ATOM 977 CE LYS A 100 -12.826 13.216 -32.552 1.00 27.08 C ATOM 978 NZ LYS A 100 -13.794 12.456 -33.390 1.00 40.35 N ATOM 979 HZ1 LYS A 100 -13.738 11.445 -33.151 1.00 0.00 H ATOM 980 HZ2 LYS A 100 -14.757 12.804 -33.207 1.00 0.00 H ATOM 981 HZ3 LYS A 100 -13.560 12.590 -34.395 1.00 0.00 H ATOM 982 H LYS A 100 -13.914 16.789 -29.687 1.00 0.00 H ATOM 983 N SER A 101 -15.676 14.775 -26.522 1.00 11.67 N ATOM 984 CA SER A 101 -15.445 14.893 -25.094 1.00 9.15 C ATOM 985 C SER A 101 -15.544 13.520 -24.442 1.00 12.76 C ATOM 986 O SER A 101 -16.244 12.625 -24.927 1.00 12.04 O ATOM 987 CB SER A 101 -16.423 15.872 -24.436 1.00 17.06 C ATOM 988 OG SER A 101 -17.641 15.241 -24.103 1.00 24.19 O ATOM 989 HG SER A 101 -17.465 14.500 -23.470 1.00 0.00 H ATOM 990 H SER A 101 -16.284 14.019 -26.896 1.00 0.00 H ATOM 991 N THR A 102 -14.801 13.356 -23.353 1.00 8.87 N ATOM 992 CA THR A 102 -14.828 12.139 -22.563 1.00 7.50 C ATOM 993 C THR A 102 -14.853 12.544 -21.099 1.00 10.24 C ATOM 994 O THR A 102 -14.389 13.628 -20.734 1.00 8.59 O ATOM 995 CB THR A 102 -13.632 11.209 -22.891 1.00 10.51 C ATOM 996 OG1 THR A 102 -13.777 9.959 -22.194 1.00 9.97 O ATOM 997 CG2 THR A 102 -12.309 11.839 -22.518 1.00 9.07 C ATOM 998 HG1 THR A 102 -14.619 9.521 -22.476 1.00 0.00 H ATOM 999 H THR A 102 -14.175 14.131 -23.055 1.00 0.00 H ATOM 1000 N THR A 103 -15.469 11.705 -20.279 1.00 7.89 N ATOM 1001 CA THR A 103 -15.626 11.968 -18.860 1.00 8.24 C ATOM 1002 C THR A 103 -14.966 10.848 -18.079 1.00 10.13 C ATOM 1003 O THR A 103 -15.188 9.665 -18.363 1.00 9.83 O ATOM 1004 CB THR A 103 -17.100 12.101 -18.470 1.00 10.51 C ATOM 1005 OG1 THR A 103 -17.692 13.160 -19.231 1.00 13.71 O ATOM 1006 CG2 THR A 103 -17.234 12.445 -16.992 1.00 13.30 C ATOM 1007 HG1 THR A 103 -18.646 13.250 -18.982 1.00 0.00 H ATOM 1008 H THR A 103 -15.856 10.822 -20.668 1.00 0.00 H ATOM 1009 N ILE A 104 -14.152 11.234 -17.104 1.00 6.20 N ATOM 1010 CA ILE A 104 -13.424 10.327 -16.233 1.00 6.37 C ATOM 1011 C ILE A 104 -13.867 10.638 -14.814 1.00 6.57 C ATOM 1012 O ILE A 104 -13.705 11.774 -14.346 1.00 8.07 O ATOM 1013 CB ILE A 104 -11.906 10.506 -16.380 1.00 8.54 C ATOM 1014 CG1 ILE A 104 -11.479 10.276 -17.830 1.00 9.00 C ATOM 1015 CG2 ILE A 104 -11.174 9.569 -15.433 1.00 11.95 C ATOM 1016 CD1 ILE A 104 -10.528 11.323 -18.336 1.00 17.33 C ATOM 1017 H ILE A 104 -14.027 12.255 -16.953 1.00 0.00 H ATOM 1018 N LYS A 105 -14.433 9.652 -14.134 1.00 6.30 N ATOM 1019 CA LYS A 105 -14.900 9.833 -12.768 1.00 5.91 C ATOM 1020 C LYS A 105 -14.001 9.038 -11.841 1.00 8.62 C ATOM 1021 O LYS A 105 -13.617 7.913 -12.161 1.00 9.09 O ATOM 1022 CB LYS A 105 -16.352 9.363 -12.627 1.00 7.62 C ATOM 1023 CG LYS A 105 -17.348 10.176 -13.458 1.00 11.91 C ATOM 1024 CD LYS A 105 -18.782 9.751 -13.120 1.00 18.44 C ATOM 1025 CE LYS A 105 -19.837 10.754 -13.581 1.00 29.67 C ATOM 1026 NZ LYS A 105 -21.203 10.128 -13.573 1.00 33.91 N ATOM 1027 HZ1 LYS A 105 -21.212 9.310 -14.215 1.00 0.00 H ATOM 1028 HZ2 LYS A 105 -21.434 9.815 -12.608 1.00 0.00 H ATOM 1029 HZ3 LYS A 105 -21.905 10.827 -13.890 1.00 0.00 H ATOM 1030 H LYS A 105 -14.547 8.724 -14.589 1.00 0.00 H ATOM 1031 N ARG A 106 -13.635 9.633 -10.716 1.00 6.98 N ATOM 1032 CA ARG A 106 -12.778 8.976 -9.740 1.00 7.55 C ATOM 1033 C ARG A 106 -13.496 8.998 -8.399 1.00 8.40 C ATOM 1034 O ARG A 106 -13.925 10.061 -7.952 1.00 9.12 O ATOM 1035 CB ARG A 106 -11.412 9.679 -9.656 1.00 10.09 C ATOM 1036 CG ARG A 106 -10.598 9.677 -10.968 1.00 11.73 C ATOM 1037 CD ARG A 106 -9.343 10.571 -10.867 1.00 15.31 C ATOM 1038 NE ARG A 106 -8.473 10.524 -12.054 1.00 17.13 N ATOM 1039 CZ ARG A 106 -8.517 11.377 -13.078 1.00 17.00 C ATOM 1040 NH1 ARG A 106 -9.398 12.368 -13.110 1.00 15.28 N ATOM 1041 NH2 ARG A 106 -7.666 11.244 -14.093 1.00 21.43 N ATOM 1042 HE ARG A 106 -7.766 9.763 -12.097 1.00 0.00 H ATOM 1043 HH12 ARG A 106 -9.415 13.022 -13.918 1.00 0.00 H ATOM 1044 HH11 ARG A 106 -10.071 12.491 -12.327 1.00 0.00 H ATOM 1045 HH22 ARG A 106 -7.701 11.910 -14.891 1.00 0.00 H ATOM 1046 HH21 ARG A 106 -6.966 10.475 -14.088 1.00 0.00 H ATOM 1047 H ARG A 106 -13.970 10.599 -10.524 1.00 0.00 H ATOM 1048 N LYS A 107 -13.660 7.832 -7.773 1.00 8.46 N ATOM 1049 CA LYS A 107 -14.390 7.777 -6.514 1.00 9.38 C ATOM 1050 C LYS A 107 -13.725 6.807 -5.555 1.00 9.56 C ATOM 1051 O LYS A 107 -13.093 5.837 -5.968 1.00 11.07 O ATOM 1052 CB LYS A 107 -15.846 7.366 -6.738 1.00 15.17 C ATOM 1053 CG LYS A 107 -15.996 6.046 -7.449 1.00 21.66 C ATOM 1054 CD LYS A 107 -17.382 5.910 -8.091 1.00 27.74 C ATOM 1055 CE LYS A 107 -17.462 6.675 -9.401 1.00 30.56 C ATOM 1056 NZ LYS A 107 -18.830 6.609 -9.997 1.00 36.00 N ATOM 1057 HZ1 LYS A 107 -19.079 5.616 -10.181 1.00 0.00 H ATOM 1058 HZ2 LYS A 107 -19.516 7.022 -9.334 1.00 0.00 H ATOM 1059 HZ3 LYS A 107 -18.844 7.143 -10.889 1.00 0.00 H ATOM 1060 H LYS A 107 -13.266 6.962 -8.184 1.00 0.00 H ATOM 1061 N ARG A 108 -13.900 7.065 -4.267 1.00 9.91 N ATOM 1062 CA ARG A 108 -13.428 6.146 -3.247 1.00 8.24 C ATOM 1063 C ARG A 108 -14.502 5.103 -2.977 1.00 11.63 C ATOM 1064 O ARG A 108 -15.675 5.440 -2.778 1.00 17.42 O ATOM 1065 CB ARG A 108 -13.064 6.904 -1.976 1.00 12.90 C ATOM 1066 CG ARG A 108 -11.701 7.561 -2.045 1.00 14.63 C ATOM 1067 CD ARG A 108 -10.591 6.511 -1.980 1.00 15.06 C ATOM 1068 NE ARG A 108 -10.826 5.506 -0.933 1.00 17.60 N ATOM 1069 CZ ARG A 108 -10.460 5.654 0.337 1.00 18.29 C ATOM 1070 NH1 ARG A 108 -9.832 6.755 0.726 1.00 23.41 N ATOM 1071 NH2 ARG A 108 -10.728 4.707 1.222 1.00 23.41 N ATOM 1072 HE ARG A 108 -11.308 4.625 -1.202 1.00 0.00 H ATOM 1073 HH12 ARG A 108 -9.547 6.868 1.720 1.00 0.00 H ATOM 1074 HH11 ARG A 108 -9.624 7.506 0.037 1.00 0.00 H ATOM 1075 HH22 ARG A 108 -10.440 4.826 2.214 1.00 0.00 H ATOM 1076 HH21 ARG A 108 -11.226 3.844 0.925 1.00 0.00 H ATOM 1077 H ARG A 108 -14.384 7.941 -3.982 1.00 0.00 H ATOM 1078 N GLU A 109 -14.103 3.837 -2.993 1.00 9.37 N ATOM 1079 CA GLU A 109 -15.022 2.733 -2.749 1.00 13.32 C ATOM 1080 C GLU A 109 -14.296 1.738 -1.866 1.00 9.39 C ATOM 1081 O GLU A 109 -13.308 1.151 -2.304 1.00 11.27 O ATOM 1082 CB GLU A 109 -15.458 2.068 -4.060 1.00 16.07 C ATOM 1083 CG GLU A 109 -16.406 0.905 -3.863 1.00 21.94 C ATOM 1084 CD GLU A 109 -17.864 1.317 -3.984 1.00 37.15 C ATOM 1085 OE1 GLU A 109 -18.735 0.603 -3.430 1.00 40.64 O ATOM 1086 OE2 GLU A 109 -18.137 2.346 -4.642 1.00 39.78 O ATOM 1087 H GLU A 109 -13.103 3.627 -3.186 1.00 0.00 H ATOM 1088 N ASP A 110 -14.785 1.525 -0.641 1.00 12.70 N ATOM 1089 CA ASP A 110 -14.053 0.726 0.352 1.00 11.88 C ATOM 1090 C ASP A 110 -12.636 1.296 0.411 1.00 9.07 C ATOM 1091 O ASP A 110 -12.482 2.523 0.482 1.00 11.36 O ATOM 1092 CB ASP A 110 -14.145 -0.767 0.026 1.00 12.68 C ATOM 1093 CG ASP A 110 -15.567 -1.295 0.100 1.00 21.58 C ATOM 1094 OD1 ASP A 110 -16.332 -0.814 0.962 1.00 22.84 O ATOM 1095 OD2 ASP A 110 -15.924 -2.183 -0.703 1.00 27.18 O ATOM 1096 H ASP A 110 -15.706 1.934 -0.384 1.00 0.00 H ATOM 1097 N ASP A 111 -11.587 0.474 0.370 1.00 10.28 N ATOM 1098 CA ASP A 111 -10.221 0.982 0.378 1.00 11.60 C ATOM 1099 C ASP A 111 -9.673 1.208 -1.024 1.00 12.45 C ATOM 1100 O ASP A 111 -8.456 1.378 -1.183 1.00 14.95 O ATOM 1101 CB ASP A 111 -9.290 0.027 1.132 1.00 12.94 C ATOM 1102 CG ASP A 111 -9.590 -0.042 2.618 1.00 13.97 C ATOM 1103 OD1 ASP A 111 -9.724 1.025 3.257 1.00 13.74 O ATOM 1104 OD2 ASP A 111 -9.662 -1.180 3.142 1.00 15.22 O ATOM 1105 H ASP A 111 -11.747 -0.553 0.331 1.00 0.00 H ATOM 1106 N LYS A 112 -10.529 1.213 -2.036 1.00 8.54 N ATOM 1107 CA LYS A 112 -10.084 1.351 -3.415 1.00 10.61 C ATOM 1108 C LYS A 112 -10.363 2.749 -3.950 1.00 7.25 C ATOM 1109 O LYS A 112 -11.158 3.521 -3.403 1.00 8.63 O ATOM 1110 CB LYS A 112 -10.768 0.317 -4.314 1.00 8.78 C ATOM 1111 CG LYS A 112 -10.559 -1.130 -3.844 1.00 17.09 C ATOM 1112 CD LYS A 112 -11.586 -2.061 -4.465 1.00 23.22 C ATOM 1113 CE LYS A 112 -11.389 -3.499 -3.998 1.00 30.23 C ATOM 1114 NZ LYS A 112 -9.957 -3.923 -4.000 1.00 32.15 N ATOM 1115 HZ1 LYS A 112 -9.576 -3.849 -4.965 1.00 0.00 H ATOM 1116 HZ2 LYS A 112 -9.413 -3.306 -3.363 1.00 0.00 H ATOM 1117 HZ3 LYS A 112 -9.888 -4.908 -3.673 1.00 0.00 H ATOM 1118 H LYS A 112 -11.546 1.116 -1.840 1.00 0.00 H ATOM 1119 N LEU A 113 -9.660 3.079 -5.024 1.00 7.37 N ATOM 1120 CA LEU A 113 -9.981 4.233 -5.847 1.00 7.68 C ATOM 1121 C LEU A 113 -10.447 3.678 -7.186 1.00 9.12 C ATOM 1122 O LEU A 113 -9.698 2.962 -7.859 1.00 9.79 O ATOM 1123 CB LEU A 113 -8.773 5.166 -5.981 1.00 9.11 C ATOM 1124 CG LEU A 113 -9.003 6.553 -6.587 1.00 12.49 C ATOM 1125 CD1 LEU A 113 -7.836 7.449 -6.206 1.00 16.29 C ATOM 1126 CD2 LEU A 113 -9.115 6.448 -8.077 1.00 17.26 C ATOM 1127 H LEU A 113 -8.846 2.488 -5.288 1.00 0.00 H ATOM 1128 N VAL A 114 -11.697 3.949 -7.536 1.00 7.90 N ATOM 1129 CA VAL A 114 -12.318 3.402 -8.737 1.00 8.51 C ATOM 1130 C VAL A 114 -12.391 4.511 -9.775 1.00 8.86 C ATOM 1131 O VAL A 114 -12.865 5.618 -9.480 1.00 9.85 O ATOM 1132 CB VAL A 114 -13.717 2.832 -8.433 1.00 10.82 C ATOM 1133 CG1 VAL A 114 -14.397 2.346 -9.712 1.00 12.86 C ATOM 1134 CG2 VAL A 114 -13.626 1.702 -7.412 1.00 9.88 C ATOM 1135 H VAL A 114 -12.259 4.579 -6.928 1.00 0.00 H ATOM 1136 N VAL A 115 -11.906 4.225 -10.982 1.00 6.95 N ATOM 1137 CA VAL A 115 -11.905 5.179 -12.089 1.00 6.62 C ATOM 1138 C VAL A 115 -12.847 4.629 -13.151 1.00 9.98 C ATOM 1139 O VAL A 115 -12.680 3.494 -13.607 1.00 12.10 O ATOM 1140 CB VAL A 115 -10.501 5.406 -12.681 1.00 11.18 C ATOM 1141 CG1 VAL A 115 -10.546 6.496 -13.732 1.00 11.87 C ATOM 1142 CG2 VAL A 115 -9.498 5.769 -11.596 1.00 12.29 C ATOM 1143 H VAL A 115 -11.509 3.278 -11.144 1.00 0.00 H ATOM 1144 N GLU A 116 -13.844 5.421 -13.520 1.00 7.99 N ATOM 1145 CA GLU A 116 -14.796 5.071 -14.567 1.00 11.20 C ATOM 1146 C GLU A 116 -14.607 6.041 -15.724 1.00 9.66 C ATOM 1147 O GLU A 116 -14.775 7.252 -15.549 1.00 11.37 O ATOM 1148 CB GLU A 116 -16.230 5.126 -14.038 1.00 13.66 C ATOM 1149 CG GLU A 116 -17.303 4.806 -15.056 1.00 23.16 C ATOM 1150 CD GLU A 116 -18.707 5.036 -14.512 1.00 37.13 C ATOM 1151 OE1 GLU A 116 -19.682 4.678 -15.210 1.00 38.61 O ATOM 1152 OE2 GLU A 116 -18.833 5.562 -13.379 1.00 40.01 O ATOM 1153 H GLU A 116 -13.952 6.337 -13.039 1.00 0.00 H ATOM 1154 N CYS A 117 -14.228 5.515 -16.890 1.00 8.31 N ATOM 1155 CA CYS A 117 -13.969 6.308 -18.086 1.00 9.11 C ATOM 1156 C CYS A 117 -15.104 6.084 -19.075 1.00 12.79 C ATOM 1157 O CYS A 117 -15.432 4.936 -19.380 1.00 12.73 O ATOM 1158 CB CYS A 117 -12.639 5.898 -18.728 1.00 12.80 C ATOM 1159 SG CYS A 117 -11.237 5.940 -17.581 1.00 22.40 S ATOM 1160 H CYS A 117 -14.111 4.483 -16.949 1.00 0.00 H ATOM 1161 N VAL A 118 -15.695 7.160 -19.580 1.00 9.21 N ATOM 1162 CA VAL A 118 -16.831 7.042 -20.490 1.00 8.73 C ATOM 1163 C VAL A 118 -16.557 7.829 -21.764 1.00 9.97 C ATOM 1164 O VAL A 118 -16.181 9.007 -21.713 1.00 9.36 O ATOM 1165 CB VAL A 118 -18.141 7.517 -19.833 1.00 13.15 C ATOM 1166 CG1 VAL A 118 -19.276 7.436 -20.826 1.00 18.79 C ATOM 1167 CG2 VAL A 118 -18.456 6.680 -18.597 1.00 14.61 C ATOM 1168 H VAL A 118 -15.343 8.104 -19.323 1.00 0.00 H ATOM 1169 N MET A 119 -16.738 7.176 -22.907 1.00 10.47 N ATOM 1170 CA MET A 119 -16.693 7.831 -24.211 1.00 10.36 C ATOM 1171 C MET A 119 -17.925 7.346 -24.963 1.00 15.39 C ATOM 1172 O MET A 119 -18.011 6.162 -25.316 1.00 14.18 O ATOM 1173 CB MET A 119 -15.399 7.498 -24.958 1.00 11.43 C ATOM 1174 CG MET A 119 -15.306 8.080 -26.364 1.00 15.20 C ATOM 1175 SD MET A 119 -15.101 9.855 -26.260 1.00 16.82 S ATOM 1176 CE MET A 119 -15.230 10.403 -27.958 1.00 15.53 C ATOM 1177 H MET A 119 -16.920 6.153 -22.871 1.00 0.00 H ATOM 1178 N LYS A 120 -18.902 8.242 -25.132 1.00 16.89 N ATOM 1179 CA LYS A 120 -20.172 7.944 -25.799 1.00 21.43 C ATOM 1180 C LYS A 120 -20.837 6.806 -25.027 1.00 18.60 C ATOM 1181 O LYS A 120 -21.089 6.967 -23.822 1.00 24.25 O ATOM 1182 CB LYS A 120 -19.893 7.694 -27.282 1.00 17.27 C ATOM 1183 CG LYS A 120 -19.626 8.972 -28.078 1.00 24.29 C ATOM 1184 CD LYS A 120 -19.101 8.684 -29.477 1.00 28.00 C ATOM 1185 CE LYS A 120 -17.619 8.346 -29.450 1.00 26.27 C ATOM 1186 NZ LYS A 120 -17.039 8.073 -30.795 1.00 33.44 N ATOM 1187 HZ1 LYS A 120 -17.532 7.265 -31.227 1.00 0.00 H ATOM 1188 HZ2 LYS A 120 -17.153 8.913 -31.398 1.00 0.00 H ATOM 1189 HZ3 LYS A 120 -16.028 7.851 -30.697 1.00 0.00 H ATOM 1190 H LYS A 120 -18.752 9.205 -24.770 1.00 0.00 H ATOM 1191 N GLY A 121 -21.118 5.668 -25.639 1.00 22.43 N ATOM 1192 CA GLY A 121 -21.750 4.602 -24.898 1.00 18.53 C ATOM 1193 C GLY A 121 -20.805 3.583 -24.302 1.00 15.22 C ATOM 1194 O GLY A 121 -21.271 2.574 -23.769 1.00 13.55 O ATOM 1195 H GLY A 121 -20.886 5.542 -26.645 1.00 0.00 H ATOM 1196 N VAL A 122 -19.495 3.812 -24.371 1.00 11.23 N ATOM 1197 CA VAL A 122 -18.492 2.822 -23.977 1.00 10.32 C ATOM 1198 C VAL A 122 -17.875 3.240 -22.647 1.00 13.19 C ATOM 1199 O VAL A 122 -17.352 4.353 -22.524 1.00 11.84 O ATOM 1200 CB VAL A 122 -17.404 2.676 -25.056 1.00 9.95 C ATOM 1201 CG1 VAL A 122 -16.284 1.794 -24.558 1.00 10.87 C ATOM 1202 CG2 VAL A 122 -17.993 2.125 -26.373 1.00 12.34 C ATOM 1203 H VAL A 122 -19.170 4.736 -24.721 1.00 0.00 H ATOM 1204 N THR A 123 -17.894 2.338 -21.671 1.00 8.96 N ATOM 1205 CA THR A 123 -17.360 2.606 -20.339 1.00 10.53 C ATOM 1206 C THR A 123 -16.234 1.630 -20.026 1.00 13.26 C ATOM 1207 O THR A 123 -16.321 0.447 -20.365 1.00 14.81 O ATOM 1208 CB THR A 123 -18.444 2.479 -19.251 1.00 12.87 C ATOM 1209 OG1 THR A 123 -19.526 3.380 -19.517 1.00 17.67 O ATOM 1210 CG2 THR A 123 -17.874 2.797 -17.883 1.00 16.46 C ATOM 1211 HG1 THR A 123 -19.925 3.164 -20.397 1.00 0.00 H ATOM 1212 H THR A 123 -18.306 1.403 -21.864 1.00 0.00 H ATOM 1213 N SER A 124 -15.183 2.125 -19.374 1.00 9.76 N ATOM 1214 CA SER A 124 -14.117 1.291 -18.835 1.00 8.13 C ATOM 1215 C SER A 124 -13.975 1.566 -17.347 1.00 9.36 C ATOM 1216 O SER A 124 -14.142 2.707 -16.902 1.00 10.06 O ATOM 1217 CB SER A 124 -12.800 1.569 -19.550 1.00 9.53 C ATOM 1218 OG SER A 124 -11.732 0.949 -18.870 1.00 10.57 O ATOM 1219 HG SER A 124 -11.884 -0.029 -18.841 1.00 0.00 H ATOM 1220 H SER A 124 -15.121 3.155 -19.244 1.00 0.00 H ATOM 1221 N THR A 125 -13.697 0.520 -16.568 1.00 8.36 N ATOM 1222 CA THR A 125 -13.536 0.639 -15.125 1.00 9.11 C ATOM 1223 C THR A 125 -12.129 0.205 -14.756 1.00 11.67 C ATOM 1224 O THR A 125 -11.707 -0.901 -15.112 1.00 10.58 O ATOM 1225 CB THR A 125 -14.567 -0.210 -14.368 1.00 13.17 C ATOM 1226 OG1 THR A 125 -15.884 0.183 -14.772 1.00 15.68 O ATOM 1227 CG2 THR A 125 -14.435 -0.010 -12.859 1.00 15.21 C ATOM 1228 HG1 THR A 125 -15.985 0.041 -15.746 1.00 0.00 H ATOM 1229 H THR A 125 -13.591 -0.417 -17.007 1.00 0.00 H ATOM 1230 N ARG A 126 -11.405 1.076 -14.061 1.00 7.14 N ATOM 1231 CA ARG A 126 -10.060 0.781 -13.595 1.00 9.21 C ATOM 1232 C ARG A 126 -10.022 0.946 -12.087 1.00 9.34 C ATOM 1233 O ARG A 126 -10.495 1.956 -11.552 1.00 11.10 O ATOM 1234 CB ARG A 126 -9.031 1.667 -14.296 1.00 8.95 C ATOM 1235 CG ARG A 126 -8.774 1.151 -15.726 1.00 16.31 C ATOM 1236 CD ARG A 126 -8.237 2.192 -16.646 1.00 20.65 C ATOM 1237 NE ARG A 126 -6.788 2.373 -16.544 1.00 20.17 N ATOM 1238 CZ ARG A 126 -5.876 1.523 -17.008 1.00 17.08 C ATOM 1239 NH1 ARG A 126 -6.237 0.390 -17.588 1.00 17.81 N ATOM 1240 NH2 ARG A 126 -4.592 1.814 -16.880 1.00 19.84 N ATOM 1241 HE ARG A 126 -6.445 3.234 -16.072 1.00 0.00 H ATOM 1242 HH12 ARG A 126 -5.513 -0.265 -17.946 1.00 0.00 H ATOM 1243 HH11 ARG A 126 -7.245 0.154 -17.686 1.00 0.00 H ATOM 1244 HH22 ARG A 126 -3.871 1.156 -17.239 1.00 0.00 H ATOM 1245 HH21 ARG A 126 -4.303 2.701 -16.420 1.00 0.00 H ATOM 1246 H ARG A 126 -11.817 2.005 -13.842 1.00 0.00 H ATOM 1247 N VAL A 127 -9.493 -0.060 -11.395 1.00 7.96 N ATOM 1248 CA VAL A 127 -9.527 -0.095 -9.942 1.00 6.92 C ATOM 1249 C VAL A 127 -8.101 -0.013 -9.435 1.00 7.91 C ATOM 1250 O VAL A 127 -7.230 -0.751 -9.915 1.00 8.77 O ATOM 1251 CB VAL A 127 -10.239 -1.353 -9.419 1.00 9.74 C ATOM 1252 CG1 VAL A 127 -10.217 -1.379 -7.897 1.00 12.64 C ATOM 1253 CG2 VAL A 127 -11.672 -1.367 -9.927 1.00 13.68 C ATOM 1254 H VAL A 127 -9.042 -0.844 -11.909 1.00 0.00 H ATOM 1255 N TYR A 128 -7.869 0.914 -8.497 1.00 7.08 N ATOM 1256 CA TYR A 128 -6.587 1.139 -7.842 1.00 7.34 C ATOM 1257 C TYR A 128 -6.684 0.794 -6.362 1.00 10.10 C ATOM 1258 O TYR A 128 -7.709 1.031 -5.720 1.00 7.64 O ATOM 1259 CB TYR A 128 -6.142 2.604 -7.973 1.00 6.78 C ATOM 1260 CG TYR A 128 -5.730 2.990 -9.361 1.00 7.11 C ATOM 1261 CD1 TYR A 128 -6.679 3.233 -10.333 1.00 8.89 C ATOM 1262 CD2 TYR A 128 -4.385 3.103 -9.701 1.00 6.69 C ATOM 1263 CE1 TYR A 128 -6.310 3.593 -11.631 1.00 11.95 C ATOM 1264 CE2 TYR A 128 -4.001 3.467 -10.988 1.00 9.49 C ATOM 1265 CZ TYR A 128 -4.968 3.707 -11.947 1.00 12.46 C ATOM 1266 OH TYR A 128 -4.590 4.074 -13.230 1.00 16.14 O ATOM 1267 HH TYR A 128 -5.398 4.206 -13.786 1.00 0.00 H ATOM 1268 H TYR A 128 -8.665 1.520 -8.214 1.00 0.00 H ATOM 1269 N GLU A 129 -5.596 0.254 -5.821 1.00 9.95 N ATOM 1270 CA GLU A 129 -5.457 0.025 -4.390 1.00 9.02 C ATOM 1271 C GLU A 129 -4.272 0.823 -3.858 1.00 9.02 C ATOM 1272 O GLU A 129 -3.414 1.278 -4.615 1.00 11.24 O ATOM 1273 CB GLU A 129 -5.273 -1.469 -4.079 1.00 13.26 C ATOM 1274 CG GLU A 129 -6.555 -2.249 -4.190 1.00 21.09 C ATOM 1275 CD GLU A 129 -6.360 -3.731 -3.940 1.00 29.21 C ATOM 1276 OE1 GLU A 129 -5.235 -4.131 -3.565 1.00 32.18 O ATOM 1277 OE2 GLU A 129 -7.334 -4.495 -4.127 1.00 31.76 O ATOM 1278 H GLU A 129 -4.811 -0.016 -6.447 1.00 0.00 H ATOM 1279 N ARG A 130 -4.236 0.997 -2.536 1.00 11.54 N ATOM 1280 CA ARG A 130 -3.127 1.701 -1.904 1.00 10.26 C ATOM 1281 C ARG A 130 -1.815 0.980 -2.168 1.00 15.61 C ATOM 1282 O ARG A 130 -1.745 -0.250 -2.109 1.00 18.88 O ATOM 1283 CB ARG A 130 -3.357 1.802 -0.397 1.00 13.31 C ATOM 1284 CG ARG A 130 -4.593 2.580 -0.016 1.00 17.75 C ATOM 1285 CD ARG A 130 -4.237 3.947 0.479 1.00 21.05 C ATOM 1286 NE ARG A 130 -5.428 4.685 0.875 1.00 20.02 N ATOM 1287 CZ ARG A 130 -5.499 6.006 0.877 1.00 16.62 C ATOM 1288 NH1 ARG A 130 -4.449 6.720 0.500 1.00 16.95 N ATOM 1289 NH2 ARG A 130 -6.621 6.610 1.234 1.00 14.40 N ATOM 1290 HE ARG A 130 -6.266 4.146 1.172 1.00 0.00 H ATOM 1291 HH12 ARG A 130 -4.499 7.759 0.500 1.00 0.00 H ATOM 1292 HH11 ARG A 130 -3.574 6.242 0.204 1.00 0.00 H ATOM 1293 HH22 ARG A 130 -6.675 7.649 1.235 1.00 0.00 H ATOM 1294 HH21 ARG A 130 -7.449 6.046 1.514 1.00 0.00 H ATOM 1295 H ARG A 130 -5.009 0.625 -1.948 1.00 0.00 H ATOM 1296 N ALA A 131 -0.773 1.749 -2.463 1.00 13.85 N ATOM 1297 CA ALA A 131 0.533 1.171 -2.763 1.00 20.15 C ATOM 1298 C ALA A 131 1.223 0.719 -1.480 1.00 27.05 C ATOM 1299 O ALA A 131 0.815 1.097 -0.376 1.00 27.66 O ATOM 1300 CB ALA A 131 1.401 2.168 -3.511 1.00 22.13 C ATOM 1301 H ALA A 131 -0.890 2.782 -2.481 1.00 0.00 H TER 1302 ALA A 131 HETATM 1303 O HOH 1 -3.206 11.213 -19.267 1.00 20.57 O HETATM 1304 O HOH 2 -9.495 3.590 2.971 1.00 26.15 O HETATM 1305 O HOH 3 -21.507 8.105 -14.859 1.00 37.45 O HETATM 1306 O HOH 4 -21.540 9.175 -22.949 1.00 29.60 O HETATM 1307 O HOH 5 -6.376 15.451 -31.583 1.00 36.57 O HETATM 1308 O HOH 6 -4.334 27.817 -22.974 1.00 22.21 O HETATM 1309 O HOH 7 -0.799 19.731 1.585 1.00 24.51 O HETATM 1310 O HOH 8 8.987 4.227 -20.655 1.00 31.05 O HETATM 1311 O HOH 9 -7.605 3.328 1.038 1.00 24.76 O HETATM 1312 O HOH 10 -11.807 12.444 -12.201 1.00 10.68 O HETATM 1313 O HOH 11 -9.071 9.951 -21.441 1.00 23.00 O HETATM 1314 O HOH 12 1.985 20.227 -11.900 1.00 23.65 O HETATM 1315 O HOH 13 3.589 -1.713 -19.464 1.00 13.21 O HETATM 1316 O HOH 14 0.474 -5.737 -17.870 1.00 20.69 O HETATM 1317 O HOH 15 -7.305 -3.396 -29.933 1.00 29.49 O HETATM 1318 O HOH 16 -19.783 14.714 -18.855 1.00 33.02 O HETATM 1319 O HOH 17 1.130 6.258 -17.548 1.00 26.17 O HETATM 1320 O HOH 18 0.673 18.692 -3.939 1.00 19.84 O HETATM 1321 O HOH 19 -3.048 0.507 -18.577 1.00 20.16 O HETATM 1322 O HOH 20 -6.277 27.289 -15.556 1.00 20.46 O HETATM 1323 O HOH 21 -0.075 -2.571 -9.957 1.00 23.87 O HETATM 1324 O HOH 22 -21.366 1.778 -21.233 1.00 24.58 O HETATM 1325 O HOH 23 -7.781 29.814 -5.013 1.00 38.07 O HETATM 1326 O HOH 24 -5.327 22.506 -24.604 1.00 20.56 O HETATM 1327 O HOH 25 7.692 5.674 -18.809 1.00 27.01 O HETATM 1328 O HOH 26 -6.226 9.503 1.853 1.00 16.89 O HETATM 1329 O HOH 27 -9.785 23.251 -5.752 1.00 12.43 O HETATM 1330 O HOH 28 -12.459 -3.759 -24.440 1.00 21.29 O HETATM 1331 O HOH 29 -0.975 20.177 -5.315 1.00 14.05 O HETATM 1332 O HOH 30 -6.902 27.507 -12.572 1.00 16.58 O HETATM 1333 O HOH 31 -6.285 -0.229 -1.006 1.00 19.91 O HETATM 1334 O HOH 32 -15.572 9.320 -3.352 1.00 18.56 O HETATM 1335 O HOH 33 1.814 -0.391 -10.395 1.00 23.87 O HETATM 1336 O HOH 34 -9.171 28.577 -17.229 1.00 19.49 O HETATM 1337 O HOH 35 -2.492 13.769 -18.036 1.00 22.75 O HETATM 1338 O HOH 36 -12.596 21.911 -20.446 1.00 29.29 O HETATM 1339 O HOH 37 -1.015 6.852 -16.949 1.00 27.31 O HETATM 1340 O HOH 38 -5.793 12.611 -16.656 1.00 22.42 O HETATM 1341 O HOH 39 -12.826 28.660 -8.229 1.00 31.48 O HETATM 1342 O HOH 40 -9.282 11.410 -30.817 1.00 24.05 O HETATM 1343 O HOH 41 -1.822 9.560 -17.240 1.00 21.68 O HETATM 1344 O HOH 42 -4.581 -5.327 -14.203 1.00 32.40 O HETATM 1345 O HOH 43 -6.509 18.890 -29.830 1.00 31.54 O HETATM 1346 O HOH 44 -17.957 13.486 -21.978 1.00 21.41 O HETATM 1347 O HOH 45 -11.810 -3.104 -13.102 1.00 18.56 O HETATM 1348 O HOH 46 -1.623 12.616 -14.337 1.00 18.05 O HETATM 1349 O HOH 47 3.706 13.859 -19.720 1.00 29.77 O HETATM 1350 O HOH 48 -13.699 26.630 -15.923 1.00 10.68 O HETATM 1351 O HOH 49 -14.630 24.922 -17.958 1.00 19.63 O HETATM 1352 O HOH 50 -4.574 24.153 -13.675 1.00 10.45 O HETATM 1353 O HOH 51 -2.874 6.479 -13.390 1.00 21.56 O HETATM 1354 O HOH 52 3.672 -1.142 -22.135 1.00 12.06 O HETATM 1355 O HOH 53 -10.429 21.924 -13.113 1.00 5.80 O HETATM 1356 O HOH 54 -15.886 -2.507 3.191 1.00 19.19 O HETATM 1357 O HOH 55 -21.443 5.124 -21.689 1.00 28.40 O HETATM 1358 O HOH 56 -1.641 16.089 0.023 1.00 14.50 O HETATM 1359 O HOH 57 -0.725 8.335 -29.460 1.00 32.51 O HETATM 1360 O HOH 58 -1.451 26.065 -2.666 1.00 19.93 O HETATM 1361 O HOH 59 -15.109 1.004 -28.952 1.00 23.20 O HETATM 1362 O HOH 60 -4.817 9.459 -29.112 1.00 22.49 O HETATM 1363 O HOH 61 -16.324 21.308 -7.612 1.00 17.89 O HETATM 1364 O HOH 62 -2.328 -4.490 -24.711 1.00 23.00 O HETATM 1365 O HOH 63 -20.771 4.614 -28.365 1.00 28.46 O HETATM 1366 O HOH 64 8.125 5.559 -14.882 1.00 28.54 O HETATM 1367 O HOH 65 1.924 12.529 -24.248 1.00 32.25 O HETATM 1368 O HOH 66 -0.143 3.757 0.318 1.00 25.13 O HETATM 1369 O HOH 67 -11.684 -6.156 -20.474 1.00 20.03 O HETATM 1370 O HOH 68 -1.423 5.951 0.017 1.00 18.75 O HETATM 1371 O HOH 69 -0.347 18.323 -19.536 1.00 24.63 O HETATM 1372 O HOH 70 -9.162 4.351 -32.589 1.00 22.77 O HETATM 1373 O HOH 71 -7.156 24.594 -12.861 1.00 7.92 O HETATM 1374 O HOH 72 -0.732 4.546 -32.147 1.00 19.08 O HETATM 1375 O HOH 73 -9.177 -3.419 -19.740 1.00 15.84 O HETATM 1376 O HOH 74 -16.180 18.748 -14.498 1.00 18.10 O HETATM 1377 O HOH 75 1.972 15.474 -17.959 1.00 20.36 O HETATM 1378 O HOH 76 -21.353 18.132 -4.296 1.00 25.69 O HETATM 1379 O HOH 77 -18.555 10.935 -24.022 1.00 21.61 O HETATM 1380 O HOH 78 -15.287 -5.997 -22.053 1.00 21.98 O HETATM 1381 O HOH 79 -5.056 -2.542 -25.254 1.00 20.67 O HETATM 1382 O HOH 80 -19.843 10.098 -2.012 1.00 25.07 O HETATM 1383 O HOH 81 -3.791 27.118 -2.952 1.00 20.23 O HETATM 1384 O HOH 82 -8.105 -6.728 -14.676 1.00 22.49 O HETATM 1385 O HOH 83 -11.382 -2.370 -0.461 1.00 19.18 O HETATM 1386 O HOH 84 -3.757 3.236 -35.646 1.00 24.38 O HETATM 1387 O HOH 85 8.313 2.704 -22.916 1.00 33.00 O HETATM 1388 O HOH 86 -4.934 16.466 -29.937 1.00 25.27 O HETATM 1389 O HOH 87 -5.554 -2.209 -19.758 1.00 26.93 O HETATM 1390 O HOH 88 -18.548 4.603 -2.232 1.00 23.57 O HETATM 1391 O HOH 89 -11.098 7.330 3.440 1.00 32.41 O HETATM 1392 O HOH 90 -16.339 -3.243 -11.026 1.00 30.95 O HETATM 1393 O HOH 91 -0.265 16.437 -18.253 1.00 31.55 O HETATM 1394 O HOH 92 -17.825 12.928 -27.815 1.00 22.26 O HETATM 1395 O HOH 93 2.655 19.711 -1.958 1.00 21.20 O HETATM 1396 O HOH 94 -8.799 20.573 -29.989 1.00 28.27 O HETATM 1397 O HOH 95 -9.683 29.666 -6.689 1.00 36.12 O HETATM 1398 O HOH 96 -6.328 -8.015 -12.892 1.00 36.84 O HETATM 1399 O HOH 97 2.641 7.987 0.380 1.00 20.76 O HETATM 1400 O HOH 98 -9.335 -6.233 -19.766 1.00 33.50 O HETATM 1401 O HOH 99 -3.199 28.354 8.359 1.00 33.85 O HETATM 1402 O HOH 100 -8.466 21.245 -27.267 1.00 27.88 O HETATM 1403 O HOH 101 -18.810 17.109 -2.972 1.00 25.86 O HETATM 1404 O HOH 102 6.290 4.318 -24.509 1.00 32.06 O HETATM 1405 O HOH 103 -17.606 8.761 -16.271 1.00 20.75 O HETATM 1406 O HOH 104 -16.867 -1.409 -17.569 1.00 27.70 O HETATM 1407 O HOH 105 -5.525 29.065 -24.777 1.00 31.87 O HETATM 1408 O HOH 106 -23.923 5.878 -27.606 1.00 32.36 O HETATM 1409 O HOH 107 -19.030 11.530 -22.002 1.00 27.78 O HETATM 1410 O HOH 108 -4.254 11.989 -14.865 1.00 29.65 O HETATM 1411 O HOH 109 0.165 7.376 1.019 1.00 30.62 O HETATM 1412 O HOH 110 -4.903 29.031 -4.825 1.00 31.78 O HETATM 1413 O HOH 111 -6.538 22.516 -26.674 1.00 34.75 O HETATM 1414 O HOH 112 -23.616 8.057 -27.069 1.00 34.22 O HETATM 1415 O HOH 113 -10.943 28.152 -5.503 1.00 38.76 O HETATM 1416 O HOH 114 -19.094 17.912 -15.314 1.00 32.78 O HETATM 1417 O HOH 115 -6.225 -3.958 -22.979 1.00 34.69 O HETATM 1418 O HOH 116 -10.155 21.866 -2.921 1.00 34.77 O HETATM 1419 O HOH 117 -7.516 -9.860 -12.185 1.00 40.31 O HETATM 1420 O HOH 118 -17.760 -3.592 -9.358 1.00 37.65 O HETATM 1421 C13 UNN A 119 -8.188 5.954 -18.445 1.00 -0.08 C HETATM 1422 C12 UNN A 119 -8.128 7.251 -18.900 1.00 -0.04 C HETATM 1423 C11 UNN A 119 -7.570 8.211 -18.082 1.00 0.10 C HETATM 1424 C19 UNN A 119 -7.069 7.893 -16.852 1.00 0.16 C HETATM 1425 C15 UNN A 119 -7.142 6.567 -16.407 1.00 0.03 C HETATM 1426 C14 UNN A 119 -7.707 5.613 -17.202 1.00 -0.07 C HETATM 1427 H10 UNN A 119 -7.777 4.588 -16.855 1.00 0.05 H HETATM 1428 C16 UNN A 119 -6.634 6.121 -15.066 1.00 0.06 C HETATM 1429 O17 UNN A 119 -6.609 6.923 -14.109 1.00 -0.56 O HETATM 1430 O18 UNN A 119 -6.252 4.899 -14.937 1.00 -0.56 O HETATM 1431 F20 UNN A 119 -6.505 8.888 -16.074 1.00 -0.19 F HETATM 1432 N10 UNN A 119 -7.488 9.548 -18.582 1.00 -0.19 N HETATM 1433 S07 UNN A 119 -6.126 9.812 -19.718 1.00 0.08 S HETATM 1434 C06 UNN A 119 -5.180 8.310 -20.071 1.00 0.11 C HETATM 1435 C21 UNN A 119 -5.315 7.569 -21.257 1.00 0.00 C HETATM 1436 C22 UNN A 119 -6.218 7.955 -22.257 1.00 -0.06 C HETATM 1437 C23 UNN A 119 -6.346 7.220 -23.415 1.00 -0.06 C HETATM 1438 C24 UNN A 119 -5.553 6.062 -23.596 1.00 -0.06 C HETATM 1439 C25 UNN A 119 -4.664 5.671 -22.619 1.00 -0.05 C HETATM 1440 C26 UNN A 119 -4.542 6.430 -21.434 1.00 0.02 C HETATM 1441 C03 UNN A 119 -3.646 6.036 -20.446 1.00 0.10 C HETATM 1442 C04 UNN A 119 -3.520 6.786 -19.267 1.00 -0.03 C HETATM 1443 C05 UNN A 119 -4.282 7.908 -19.087 1.00 -0.05 C HETATM 1444 H8 UNN A 119 -4.186 8.486 -18.175 1.00 0.06 H HETATM 1445 H7 UNN A 119 -2.820 6.477 -18.500 1.00 0.05 H HETATM 1446 O02 UNN A 119 -2.862 4.882 -20.603 1.00 -0.32 O HETATM 1447 C01 UNN A 119 -2.380 4.325 -19.392 1.00 0.06 C HETATM 1448 H4 UNN A 119 -1.780 3.430 -19.613 1.00 0.06 H HETATM 1449 H5 UNN A 119 -3.231 4.047 -18.752 1.00 0.06 H HETATM 1450 H6 UNN A 119 -1.755 5.065 -18.871 1.00 0.06 H HETATM 1451 H12 UNN A 119 -4.059 4.782 -22.759 1.00 0.06 H HETATM 1452 H3 UNN A 119 -5.645 5.481 -24.506 1.00 0.06 H HETATM 1453 H11 UNN A 119 -7.049 7.526 -24.182 1.00 0.06 H HETATM 1454 H2 UNN A 119 -6.823 8.843 -22.117 1.00 0.06 H HETATM 1455 O08 UNN A 119 -6.604 10.516 -20.917 1.00 -0.15 O HETATM 1456 O09 UNN A 119 -5.199 10.774 -19.156 1.00 -0.15 O HETATM 1457 H13 UNN A 119 -8.130 10.269 -18.322 1.00 0.21 H HETATM 1458 H9 UNN A 119 -8.511 7.513 -19.880 1.00 0.05 H HETATM 1459 H1 UNN A 119 -8.622 5.188 -19.077 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1421 1422 1426 1459 CONECT 1422 1421 1423 1458 CONECT 1423 1422 1424 1432 CONECT 1424 1423 1425 1431 CONECT 1425 1424 1426 1428 CONECT 1426 1421 1425 1427 CONECT 1427 1426 CONECT 1428 1425 1429 1430 CONECT 1429 1428 CONECT 1430 1428 CONECT 1431 1424 CONECT 1432 1423 1433 1457 CONECT 1433 1432 1434 1455 1456 CONECT 1434 1433 1435 1443 CONECT 1435 1434 1436 1440 CONECT 1436 1435 1437 1454 CONECT 1437 1436 1438 1453 CONECT 1438 1437 1439 1452 CONECT 1439 1438 1440 1451 CONECT 1440 1435 1439 1441 CONECT 1441 1440 1442 1446 CONECT 1442 1441 1443 1445 CONECT 1443 1434 1442 1444 CONECT 1444 1443 CONECT 1445 1442 CONECT 1446 1441 1447 CONECT 1447 1446 1448 1449 1450 CONECT 1448 1447 CONECT 1449 1447 CONECT 1450 1447 CONECT 1451 1439 CONECT 1452 1438 CONECT 1453 1437 CONECT 1454 1436 CONECT 1455 1433 CONECT 1456 1433 CONECT 1457 1432 CONECT 1458 1422 CONECT 1459 1421 MASTER 0 0 0 0 0 0 0 0 1458 1 43 11 END
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Structure:
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Related entries of code: 5y0x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2hnx
RCSB PDB
PDBbind
136aa, >2HNX_1|Chain... at 100%
5d45
RCSB PDB
PDBbind
152aa, >5D45_1|Chain... *
5d47
RCSB PDB
PDBbind
152aa, >5D47_1|Chain... at 100%
5d48
RCSB PDB
PDBbind
152aa, >5D48_1|Chain... at 100%
5d4a
RCSB PDB
PDBbind
152aa, >5D4A_1|Chain... at 100%
5hz8
RCSB PDB
PDBbind
135aa, >5HZ8_1|Chain... at 94%
5y0f
RCSB PDB
PDBbind
152aa, >5Y0F_1|Chain... at 100%
5y0g
RCSB PDB
PDBbind
152aa, >5Y0G_1|Chain... at 100%
5y12
RCSB PDB
PDBbind
152aa, >5Y12_1|Chain... at 100%
5y13
RCSB PDB
PDBbind
152aa, >5Y13_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5y0x
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Fatty acid binding protein 4
Ligand Name
8JR
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Ki=7.75uM
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)Nc1cccc(c1F)C(=O)O
InChI String
InChI=1S/C18H14FNO5S/c1-25-15-9-10-16(12-6-3-2-5-11(12)15)26(23,24)20-14-8-4-7-13(17(14)19)18(21)22/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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