Browse entries in the PDBbind-CN Database
HEADER 3DOW_COMPLEX COMPND 3DOW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 119 GLY SER MET LYS PHE VAL TYR LYS GLU GLU HIS PRO PHE SEQRES 2 A 119 GLU LYS ARG ARG SER GLU GLY GLU LYS ILE ARG LYS LYS SEQRES 3 A 119 TYR PRO ASP ARG VAL PRO VAL ILE VAL GLU LYS ALA PRO SEQRES 4 A 119 LYS ALA ARG ILE GLY ASP LEU ASP LYS LYS LYS TYR LEU SEQRES 5 A 119 VAL PRO SER ASP LEU THR VAL GLY GLN PHE TYR PHE LEU SEQRES 6 A 119 ILE ARG LYS ARG ILE HIS LEU ARG ALA GLU ASP ALA LEU SEQRES 7 A 119 PHE PHE PHE VAL ASN ASN VAL ILE PRO PRO THR SER ALA SEQRES 8 A 119 THR MET GLY GLN LEU TYR GLN GLU HIS HIS GLU GLU ASP SEQRES 9 A 119 PHE PHE LEU TYR ILE ALA TYR SER ASP GLU SER VAL TYR SEQRES 10 A 119 GLY LEU HET ZN A 1 1 HET ASP A 150 120 ATOM 1 N GLY A 1 2.140 30.754 16.608 1.00 72.80 N ATOM 2 CA GLY A 1 1.831 31.978 17.402 1.00 75.56 C ATOM 3 C GLY A 1 0.818 31.723 18.504 1.00 74.72 C ATOM 4 O GLY A 1 0.990 32.188 19.633 1.00 71.66 O ATOM 5 HA3 GLY A 1 1.432 32.738 16.730 1.00 0.00 H ATOM 6 HA2 GLY A 1 2.753 32.343 17.854 1.00 0.00 H ATOM 7 HN3 GLY A 1 1.268 30.401 16.164 1.00 0.00 H ATOM 8 HN2 GLY A 1 2.530 30.024 17.237 1.00 0.00 H ATOM 9 HN1 GLY A 1 2.836 30.987 15.871 1.00 0.00 H ATOM 10 N SER A 2 -0.242 30.988 18.177 1.00 73.29 N ATOM 11 CA SER A 2 -1.285 30.669 19.152 1.00 70.65 C ATOM 12 C SER A 2 -1.274 29.190 19.534 1.00 69.03 C ATOM 13 O SER A 2 -1.012 28.321 18.700 1.00 75.08 O ATOM 14 CB SER A 2 -2.662 31.073 18.624 1.00 64.46 C ATOM 15 OG SER A 2 -3.008 32.380 19.059 1.00 68.99 O ATOM 16 HA SER A 2 -1.072 31.244 20.053 1.00 0.00 H ATOM 17 HB2 SER A 2 -3.406 30.366 18.990 1.00 0.00 H ATOM 18 HB3 SER A 2 -2.647 31.051 17.534 1.00 0.00 H ATOM 19 HG SER A 2 -3.901 32.619 18.705 1.00 0.00 H ATOM 20 H SER A 2 -0.331 30.631 17.204 1.00 0.00 H ATOM 21 N MET A 3 -1.561 28.920 20.805 1.00 67.05 N ATOM 22 CA MET A 3 -1.423 27.581 21.371 1.00 64.54 C ATOM 23 C MET A 3 -2.096 26.520 20.499 1.00 65.14 C ATOM 24 O MET A 3 -3.321 26.406 20.477 1.00 66.76 O ATOM 25 CB MET A 3 -2.019 27.540 22.783 1.00 64.58 C ATOM 26 CG MET A 3 -1.161 26.785 23.801 1.00 64.83 C ATOM 27 SD MET A 3 -0.213 27.817 24.951 1.00 61.68 S ATOM 28 CE MET A 3 0.050 29.274 23.944 1.00 57.26 C ATOM 29 HA MET A 3 -0.358 27.354 21.413 1.00 0.00 H ATOM 30 HB2 MET A 3 -2.143 28.565 23.133 1.00 0.00 H ATOM 31 HB3 MET A 3 -2.994 27.055 22.730 1.00 0.00 H ATOM 32 HG2 MET A 3 -0.456 26.163 23.249 1.00 0.00 H ATOM 33 HG3 MET A 3 -1.822 26.148 24.389 1.00 0.00 H ATOM 34 HE1 MET A 3 0.601 28.998 23.045 1.00 0.00 H ATOM 35 HE2 MET A 3 -0.914 29.700 23.664 1.00 0.00 H ATOM 36 HE3 MET A 3 0.622 30.008 24.512 1.00 0.00 H ATOM 37 H MET A 3 -1.896 29.691 21.418 1.00 0.00 H ATOM 38 N LYS A 4 -1.284 25.746 19.783 1.00 59.88 N ATOM 39 CA LYS A 4 -1.782 24.663 18.941 1.00 59.42 C ATOM 40 C LYS A 4 -1.319 23.324 19.495 1.00 61.13 C ATOM 41 O LYS A 4 -0.118 23.066 19.584 1.00 63.10 O ATOM 42 CB LYS A 4 -1.278 24.824 17.503 1.00 59.78 C ATOM 43 HA LYS A 4 -2.871 24.700 18.938 1.00 0.00 H ATOM 44 HB2 LYS A 4 -1.628 25.775 17.101 1.00 0.00 H ATOM 45 HB3 LYS A 4 -0.188 24.805 17.497 1.00 0.00 H ATOM 46 H LYS A 4 -0.259 25.919 19.825 1.00 0.00 H ATOM 47 N PHE A 5 -2.274 22.479 19.869 1.00 58.09 N ATOM 48 CA PHE A 5 -1.959 21.181 20.453 1.00 50.09 C ATOM 49 C PHE A 5 -2.313 20.021 19.530 1.00 52.81 C ATOM 50 O PHE A 5 -3.315 20.056 18.816 1.00 56.50 O ATOM 51 CB PHE A 5 -2.683 21.014 21.789 1.00 47.11 C ATOM 52 CG PHE A 5 -1.995 21.693 22.935 1.00 44.14 C ATOM 53 CD1 PHE A 5 -2.264 23.014 23.242 1.00 45.56 C ATOM 54 CD2 PHE A 5 -1.074 21.007 23.704 1.00 43.94 C ATOM 55 CE1 PHE A 5 -1.623 23.635 24.296 1.00 45.27 C ATOM 56 CE2 PHE A 5 -0.432 21.621 24.760 1.00 40.08 C ATOM 57 CZ PHE A 5 -0.706 22.940 25.057 1.00 41.34 C ATOM 58 HA PHE A 5 -0.880 21.158 20.608 1.00 0.00 H ATOM 59 HB2 PHE A 5 -3.685 21.432 21.692 1.00 0.00 H ATOM 60 HB3 PHE A 5 -2.754 19.949 22.012 1.00 0.00 H ATOM 61 HD2 PHE A 5 -0.851 19.965 23.473 1.00 0.00 H ATOM 62 HE2 PHE A 5 0.290 21.065 25.358 1.00 0.00 H ATOM 63 HZ PHE A 5 -0.200 23.431 25.889 1.00 0.00 H ATOM 64 HE1 PHE A 5 -1.842 24.677 24.527 1.00 0.00 H ATOM 65 HD1 PHE A 5 -2.988 23.570 22.647 1.00 0.00 H ATOM 66 H PHE A 5 -3.270 22.750 19.742 1.00 0.00 H ATOM 67 N VAL A 6 -1.475 18.992 19.560 1.00 51.85 N ATOM 68 CA VAL A 6 -1.685 17.791 18.770 1.00 51.39 C ATOM 69 C VAL A 6 -2.737 16.906 19.424 1.00 53.13 C ATOM 70 O VAL A 6 -3.425 16.145 18.749 1.00 59.31 O ATOM 71 CB VAL A 6 -0.372 16.996 18.621 1.00 53.02 C ATOM 72 CG1 VAL A 6 -0.623 15.659 17.942 1.00 50.53 C ATOM 73 CG2 VAL A 6 0.654 17.810 17.846 1.00 53.92 C ATOM 74 HA VAL A 6 -2.029 18.096 17.782 1.00 0.00 H ATOM 75 HB VAL A 6 0.025 16.798 19.617 1.00 0.00 H ATOM 76 HG11 VAL A 6 -1.322 15.075 18.540 1.00 0.00 H ATOM 77 HG12 VAL A 6 -1.045 15.829 16.952 1.00 0.00 H ATOM 78 HG13 VAL A 6 0.319 15.118 17.849 1.00 0.00 H ATOM 79 HG21 VAL A 6 0.261 18.038 16.855 1.00 0.00 H ATOM 80 HG22 VAL A 6 0.858 18.738 18.380 1.00 0.00 H ATOM 81 HG23 VAL A 6 1.575 17.235 17.750 1.00 0.00 H ATOM 82 H VAL A 6 -0.636 19.048 20.172 1.00 0.00 H ATOM 83 N TYR A 7 -2.868 17.015 20.741 1.00 50.58 N ATOM 84 CA TYR A 7 -3.829 16.198 21.466 1.00 49.02 C ATOM 85 C TYR A 7 -5.257 16.624 21.135 1.00 49.12 C ATOM 86 O TYR A 7 -6.177 15.807 21.161 1.00 47.82 O ATOM 87 CB TYR A 7 -3.594 16.287 22.973 1.00 46.08 C ATOM 88 CG TYR A 7 -4.511 15.383 23.762 1.00 46.58 C ATOM 89 CD1 TYR A 7 -4.201 14.044 23.953 1.00 44.77 C ATOM 90 CD2 TYR A 7 -5.696 15.863 24.300 1.00 43.62 C ATOM 91 CE1 TYR A 7 -5.040 13.211 24.664 1.00 43.61 C ATOM 92 CE2 TYR A 7 -6.544 15.035 25.013 1.00 44.88 C ATOM 93 CZ TYR A 7 -6.210 13.710 25.191 1.00 44.40 C ATOM 94 OH TYR A 7 -7.050 12.883 25.902 1.00 49.71 O ATOM 95 HA TYR A 7 -3.690 15.163 21.154 1.00 0.00 H ATOM 96 HB3 TYR A 7 -3.760 17.316 23.292 1.00 0.00 H ATOM 97 HB2 TYR A 7 -2.562 16.005 23.182 1.00 0.00 H ATOM 98 HD2 TYR A 7 -5.963 16.910 24.159 1.00 0.00 H ATOM 99 HE2 TYR A 7 -7.471 15.428 25.431 1.00 0.00 H ATOM 100 HE1 TYR A 7 -4.778 12.163 24.808 1.00 0.00 H ATOM 101 HD1 TYR A 7 -3.278 13.643 23.534 1.00 0.00 H ATOM 102 HH TYR A 7 -6.664 11.972 25.935 1.00 0.00 H ATOM 103 H TYR A 7 -2.276 17.693 21.261 1.00 0.00 H ATOM 104 N LYS A 8 -5.437 17.904 20.823 1.00 45.03 N ATOM 105 CA LYS A 8 -6.747 18.419 20.434 1.00 50.67 C ATOM 106 C LYS A 8 -7.120 17.981 19.020 1.00 52.92 C ATOM 107 O LYS A 8 -8.300 17.894 18.679 1.00 52.61 O ATOM 108 CB LYS A 8 -6.774 19.948 20.512 1.00 52.59 C ATOM 109 CG LYS A 8 -6.661 20.511 21.918 1.00 46.76 C ATOM 110 CD LYS A 8 -6.719 22.029 21.899 1.00 44.14 C ATOM 111 CE LYS A 8 -5.946 22.631 23.060 1.00 47.20 C ATOM 112 NZ LYS A 8 -5.766 24.108 22.921 1.00 54.33 N ATOM 113 HA LYS A 8 -7.475 18.007 21.133 1.00 0.00 H ATOM 114 HB2 LYS A 8 -5.942 20.334 19.923 1.00 0.00 H ATOM 115 HB3 LYS A 8 -7.713 20.294 20.081 1.00 0.00 H ATOM 116 HG2 LYS A 8 -7.484 20.129 22.523 1.00 0.00 H ATOM 117 HG3 LYS A 8 -5.714 20.195 22.354 1.00 0.00 H ATOM 118 HD2 LYS A 8 -6.290 22.388 20.964 1.00 0.00 H ATOM 119 HD3 LYS A 8 -7.760 22.345 21.965 1.00 0.00 H ATOM 120 HE2 LYS A 8 -4.963 22.161 23.107 1.00 0.00 H ATOM 121 HE3 LYS A 8 -6.489 22.430 23.984 1.00 0.00 H ATOM 122 HZ1 LYS A 8 -5.242 24.311 22.046 1.00 0.00 H ATOM 123 HZ2 LYS A 8 -6.698 24.568 22.883 1.00 0.00 H ATOM 124 HZ3 LYS A 8 -5.233 24.469 23.738 1.00 0.00 H ATOM 125 H LYS A 8 -4.626 18.554 20.857 1.00 0.00 H ATOM 126 N GLU A 9 -6.106 17.710 18.204 1.00 56.16 N ATOM 127 CA GLU A 9 -6.310 17.308 16.814 1.00 58.82 C ATOM 128 C GLU A 9 -6.427 15.790 16.678 1.00 57.92 C ATOM 129 O GLU A 9 -6.878 15.287 15.648 1.00 59.64 O ATOM 130 CB GLU A 9 -5.153 17.823 15.953 1.00 59.68 C ATOM 131 CG GLU A 9 -5.084 19.342 15.863 1.00 60.27 C ATOM 132 CD GLU A 9 -5.655 19.877 14.565 1.00 68.26 C ATOM 133 OE1 GLU A 9 -5.445 19.231 13.518 1.00 68.72 O ATOM 134 OE2 GLU A 9 -6.303 20.945 14.590 1.00 70.71 O ATOM 135 HA GLU A 9 -7.248 17.745 16.470 1.00 0.00 H ATOM 136 HB2 GLU A 9 -4.218 17.461 16.380 1.00 0.00 H ATOM 137 HB3 GLU A 9 -5.269 17.423 14.946 1.00 0.00 H ATOM 138 HG2 GLU A 9 -5.648 19.767 16.694 1.00 0.00 H ATOM 139 HG3 GLU A 9 -4.041 19.649 15.938 1.00 0.00 H ATOM 140 H GLU A 9 -5.135 17.787 18.567 1.00 0.00 H ATOM 141 N GLU A 10 -6.030 15.066 17.720 1.00 56.01 N ATOM 142 CA GLU A 10 -6.066 13.606 17.693 1.00 56.17 C ATOM 143 C GLU A 10 -7.361 13.063 18.286 1.00 56.21 C ATOM 144 O GLU A 10 -7.750 11.928 18.008 1.00 60.07 O ATOM 145 CB GLU A 10 -4.862 13.017 18.437 1.00 59.71 C ATOM 146 CG GLU A 10 -3.541 13.172 17.692 1.00 62.81 C ATOM 147 CD GLU A 10 -2.460 12.234 18.201 1.00 65.63 C ATOM 148 OE1 GLU A 10 -2.787 11.293 18.955 1.00 69.59 O ATOM 149 OE2 GLU A 10 -1.282 12.436 17.839 1.00 68.47 O ATOM 150 HA GLU A 10 -6.020 13.303 16.647 1.00 0.00 H ATOM 151 HB2 GLU A 10 -4.774 13.519 19.401 1.00 0.00 H ATOM 152 HB3 GLU A 10 -5.043 11.954 18.598 1.00 0.00 H ATOM 153 HG2 GLU A 10 -3.711 12.966 16.635 1.00 0.00 H ATOM 154 HG3 GLU A 10 -3.194 14.199 17.809 1.00 0.00 H ATOM 155 H GLU A 10 -5.686 15.550 18.574 1.00 0.00 H ATOM 156 N HIS A 11 -8.024 13.875 19.104 1.00 54.43 N ATOM 157 CA HIS A 11 -9.255 13.455 19.767 1.00 53.41 C ATOM 158 C HIS A 11 -10.294 14.568 19.705 1.00 48.98 C ATOM 159 O HIS A 11 -9.986 15.720 20.011 1.00 50.30 O ATOM 160 CB HIS A 11 -8.977 13.091 21.225 1.00 56.01 C ATOM 161 CG HIS A 11 -7.867 12.105 21.400 1.00 58.46 C ATOM 162 ND1 HIS A 11 -6.551 12.488 21.573 1.00 59.02 N ATOM 163 CD2 HIS A 11 -7.870 10.753 21.438 1.00 64.87 C ATOM 164 CE1 HIS A 11 -5.797 11.414 21.706 1.00 61.35 C ATOM 165 NE2 HIS A 11 -6.573 10.345 21.629 1.00 64.34 N ATOM 166 HA HIS A 11 -9.642 12.577 19.250 1.00 0.00 H ATOM 167 HB2 HIS A 11 -8.716 14.002 21.763 1.00 0.00 H ATOM 168 HB3 HIS A 11 -9.885 12.666 21.652 1.00 0.00 H ATOM 169 HD2 HIS A 11 -8.742 10.106 21.336 1.00 0.00 H ATOM 170 HE1 HIS A 11 -4.717 11.408 21.854 1.00 0.00 H ATOM 171 H HIS A 11 -7.657 14.833 19.276 1.00 0.00 H ATOM 172 N PRO A 12 -11.530 14.228 19.298 1.00 47.81 N ATOM 173 CA PRO A 12 -12.603 15.218 19.139 1.00 50.65 C ATOM 174 C PRO A 12 -13.102 15.789 20.462 1.00 43.85 C ATOM 175 O PRO A 12 -12.738 15.312 21.528 1.00 45.27 O ATOM 176 CB PRO A 12 -13.726 14.426 18.461 1.00 52.22 C ATOM 177 CG PRO A 12 -13.074 13.186 17.931 1.00 55.42 C ATOM 178 CD PRO A 12 -11.957 12.889 18.863 1.00 52.00 C ATOM 179 HA PRO A 12 -12.254 16.083 18.574 1.00 0.00 H ATOM 180 HD3 PRO A 12 -12.299 12.292 19.708 1.00 0.00 H ATOM 181 HD2 PRO A 12 -11.149 12.365 18.353 1.00 0.00 H ATOM 182 HG3 PRO A 12 -12.694 13.357 16.924 1.00 0.00 H ATOM 183 HG2 PRO A 12 -13.785 12.360 17.914 1.00 0.00 H ATOM 184 HB2 PRO A 12 -14.502 14.171 19.182 1.00 0.00 H ATOM 185 HB3 PRO A 12 -14.164 15.005 17.648 1.00 0.00 H ATOM 186 N PHE A 13 -13.961 16.795 20.378 1.00 47.85 N ATOM 187 CA PHE A 13 -14.366 17.554 21.554 1.00 48.59 C ATOM 188 C PHE A 13 -15.386 16.813 22.429 1.00 49.47 C ATOM 189 O PHE A 13 -15.330 16.920 23.649 1.00 56.04 O ATOM 190 CB PHE A 13 -14.895 18.926 21.127 1.00 55.70 C ATOM 191 CG PHE A 13 -15.238 19.834 22.269 1.00 52.05 C ATOM 192 CD1 PHE A 13 -14.250 20.373 23.075 1.00 48.37 C ATOM 193 CD2 PHE A 13 -16.559 20.168 22.520 1.00 52.50 C ATOM 194 CE1 PHE A 13 -14.575 21.220 24.122 1.00 46.83 C ATOM 195 CE2 PHE A 13 -16.892 21.013 23.563 1.00 52.00 C ATOM 196 CZ PHE A 13 -15.899 21.540 24.367 1.00 50.20 C ATOM 197 HA PHE A 13 -13.481 17.684 22.177 1.00 0.00 H ATOM 198 HB2 PHE A 13 -14.132 19.413 20.520 1.00 0.00 H ATOM 199 HB3 PHE A 13 -15.793 18.775 20.528 1.00 0.00 H ATOM 200 HD2 PHE A 13 -17.347 19.759 21.887 1.00 0.00 H ATOM 201 HE2 PHE A 13 -17.936 21.263 23.751 1.00 0.00 H ATOM 202 HZ PHE A 13 -16.158 22.205 25.191 1.00 0.00 H ATOM 203 HE1 PHE A 13 -13.788 21.634 24.753 1.00 0.00 H ATOM 204 HD1 PHE A 13 -13.205 20.128 22.884 1.00 0.00 H ATOM 205 H PHE A 13 -14.356 17.049 19.450 1.00 0.00 H ATOM 206 N GLU A 14 -16.314 16.072 21.828 1.00 53.98 N ATOM 207 CA GLU A 14 -17.208 15.236 22.622 1.00 55.12 C ATOM 208 C GLU A 14 -16.360 14.327 23.497 1.00 49.64 C ATOM 209 O GLU A 14 -16.602 14.199 24.697 1.00 50.57 O ATOM 210 CB GLU A 14 -18.119 14.385 21.734 1.00 57.47 C ATOM 211 CG GLU A 14 -18.262 12.943 22.211 1.00 57.33 C ATOM 212 CD GLU A 14 -19.581 12.305 21.784 1.00 66.64 C ATOM 213 OE1 GLU A 14 -19.877 12.283 20.568 1.00 62.28 O ATOM 214 OE2 GLU A 14 -20.326 11.824 22.668 1.00 65.11 O ATOM 215 HA GLU A 14 -17.845 15.879 23.229 1.00 0.00 H ATOM 216 HB2 GLU A 14 -19.108 14.842 21.716 1.00 0.00 H ATOM 217 HB3 GLU A 14 -17.706 14.375 20.725 1.00 0.00 H ATOM 218 HG2 GLU A 14 -17.442 12.356 21.798 1.00 0.00 H ATOM 219 HG3 GLU A 14 -18.205 12.929 23.299 1.00 0.00 H ATOM 220 H GLU A 14 -16.402 16.089 20.792 1.00 0.00 H ATOM 221 N LYS A 15 -15.358 13.709 22.881 1.00 49.89 N ATOM 222 CA LYS A 15 -14.547 12.691 23.536 1.00 48.14 C ATOM 223 C LYS A 15 -13.724 13.265 24.682 1.00 44.92 C ATOM 224 O LYS A 15 -13.640 12.668 25.753 1.00 46.40 O ATOM 225 CB LYS A 15 -13.618 12.032 22.514 1.00 48.02 C ATOM 226 HA LYS A 15 -15.227 11.949 23.956 1.00 0.00 H ATOM 227 HB2 LYS A 15 -14.215 11.568 21.729 1.00 0.00 H ATOM 228 HB3 LYS A 15 -12.965 12.788 22.078 1.00 0.00 H ATOM 229 H LYS A 15 -15.145 13.961 21.895 1.00 0.00 H ATOM 230 N ARG A 16 -13.116 14.424 24.455 1.00 42.94 N ATOM 231 CA ARG A 16 -12.244 15.020 25.457 1.00 44.00 C ATOM 232 C ARG A 16 -13.052 15.524 26.649 1.00 39.96 C ATOM 233 O ARG A 16 -12.720 15.223 27.790 1.00 38.75 O ATOM 234 CB ARG A 16 -11.409 16.157 24.857 1.00 42.06 C ATOM 235 CG ARG A 16 -10.662 15.766 23.593 1.00 45.40 C ATOM 236 CD ARG A 16 -9.504 16.700 23.285 1.00 42.84 C ATOM 237 NE ARG A 16 -9.883 18.109 23.351 1.00 43.63 N ATOM 238 CZ ARG A 16 -10.265 18.847 22.313 1.00 46.84 C ATOM 239 NH1 ARG A 16 -10.335 18.319 21.100 1.00 51.88 N ATOM 240 NH2 ARG A 16 -10.580 20.123 22.491 1.00 47.25 N ATOM 241 HA ARG A 16 -11.561 14.245 25.806 1.00 0.00 H ATOM 242 HB2 ARG A 16 -12.076 16.986 24.620 1.00 0.00 H ATOM 243 HB3 ARG A 16 -10.681 16.479 25.601 1.00 0.00 H ATOM 244 HG2 ARG A 16 -10.272 14.755 23.716 1.00 0.00 H ATOM 245 HG3 ARG A 16 -11.359 15.786 22.755 1.00 0.00 H ATOM 246 HD2 ARG A 16 -9.139 16.484 22.281 1.00 0.00 H ATOM 247 HD3 ARG A 16 -8.708 16.519 24.007 1.00 0.00 H ATOM 248 HE ARG A 16 -9.852 18.571 24.282 1.00 0.00 H ATOM 249 HH12 ARG A 16 -10.635 18.905 20.295 1.00 0.00 H ATOM 250 HH11 ARG A 16 -10.090 17.319 20.953 1.00 0.00 H ATOM 251 HH22 ARG A 16 -10.879 20.703 21.681 1.00 0.00 H ATOM 252 HH21 ARG A 16 -10.528 20.544 23.441 1.00 0.00 H ATOM 253 H ARG A 16 -13.265 14.912 23.549 1.00 0.00 H ATOM 254 N ARG A 17 -14.111 16.285 26.381 1.00 40.89 N ATOM 255 CA ARG A 17 -14.951 16.840 27.443 1.00 41.97 C ATOM 256 C ARG A 17 -15.556 15.746 28.305 1.00 42.67 C ATOM 257 O ARG A 17 -15.841 15.963 29.481 1.00 44.38 O ATOM 258 CB ARG A 17 -16.079 17.696 26.863 1.00 45.95 C ATOM 259 CG ARG A 17 -17.296 17.798 27.783 1.00 48.82 C ATOM 260 CD ARG A 17 -18.286 18.851 27.311 1.00 50.13 C ATOM 261 NE ARG A 17 -17.939 20.187 27.794 1.00 46.14 N ATOM 262 CZ ARG A 17 -18.556 20.819 28.790 1.00 43.79 C ATOM 263 NH1 ARG A 17 -19.575 20.252 29.428 1.00 47.35 N ATOM 264 NH2 ARG A 17 -18.155 22.030 29.147 1.00 38.48 N ATOM 265 HA ARG A 17 -14.304 17.462 28.062 1.00 0.00 H ATOM 266 HB2 ARG A 17 -15.695 18.700 26.685 1.00 0.00 H ATOM 267 HB3 ARG A 17 -16.396 17.256 25.917 1.00 0.00 H ATOM 268 HG2 ARG A 17 -17.798 16.831 27.810 1.00 0.00 H ATOM 269 HG3 ARG A 17 -16.958 18.058 28.786 1.00 0.00 H ATOM 270 HD2 ARG A 17 -19.279 18.591 27.679 1.00 0.00 H ATOM 271 HD3 ARG A 17 -18.295 18.862 26.221 1.00 0.00 H ATOM 272 HE ARG A 17 -17.152 20.680 27.325 1.00 0.00 H ATOM 273 HH12 ARG A 17 -20.048 20.757 30.204 1.00 0.00 H ATOM 274 HH11 ARG A 17 -19.899 19.303 29.151 1.00 0.00 H ATOM 275 HH22 ARG A 17 -18.634 22.528 29.924 1.00 0.00 H ATOM 276 HH21 ARG A 17 -17.362 22.483 28.650 1.00 0.00 H ATOM 277 H ARG A 17 -14.348 16.491 25.389 1.00 0.00 H ATOM 278 N SER A 18 -15.760 14.574 27.716 1.00 42.96 N ATOM 279 CA SER A 18 -16.336 13.457 28.448 1.00 44.63 C ATOM 280 C SER A 18 -15.286 12.788 29.317 1.00 43.91 C ATOM 281 O SER A 18 -15.588 12.350 30.426 1.00 44.18 O ATOM 282 CB SER A 18 -16.967 12.447 27.490 1.00 48.98 C ATOM 283 OG SER A 18 -18.083 13.022 26.831 1.00 54.17 O ATOM 284 HA SER A 18 -17.121 13.845 29.097 1.00 0.00 H ATOM 285 HB2 SER A 18 -17.293 11.573 28.053 1.00 0.00 H ATOM 286 HB3 SER A 18 -16.228 12.145 26.748 1.00 0.00 H ATOM 287 HG SER A 18 -17.788 13.815 26.317 1.00 0.00 H ATOM 288 H SER A 18 -15.504 14.453 26.715 1.00 0.00 H ATOM 289 N GLU A 19 -14.055 12.708 28.822 1.00 46.50 N ATOM 290 CA GLU A 19 -12.967 12.149 29.614 1.00 42.07 C ATOM 291 C GLU A 19 -12.581 13.099 30.746 1.00 36.44 C ATOM 292 O GLU A 19 -12.197 12.667 31.829 1.00 36.01 O ATOM 293 CB GLU A 19 -11.746 11.875 28.742 1.00 42.42 C ATOM 294 CG GLU A 19 -10.677 11.078 29.443 1.00 42.47 C ATOM 295 CD GLU A 19 -9.372 11.092 28.680 1.00 50.74 C ATOM 296 OE1 GLU A 19 -9.340 11.687 27.582 1.00 53.44 O ATOM 297 OE2 GLU A 19 -8.381 10.517 29.175 1.00 48.23 O ATOM 298 HA GLU A 19 -13.316 11.208 30.040 1.00 0.00 H ATOM 299 HB2 GLU A 19 -12.068 11.321 27.860 1.00 0.00 H ATOM 300 HB3 GLU A 19 -11.320 12.830 28.434 1.00 0.00 H ATOM 301 HG2 GLU A 19 -10.512 11.504 30.433 1.00 0.00 H ATOM 302 HG3 GLU A 19 -11.015 10.047 29.544 1.00 0.00 H ATOM 303 H GLU A 19 -13.866 13.049 27.858 1.00 0.00 H ATOM 304 N GLY A 20 -12.691 14.397 30.486 1.00 33.74 N ATOM 305 CA GLY A 20 -12.319 15.402 31.461 1.00 37.21 C ATOM 306 C GLY A 20 -13.334 15.478 32.582 1.00 38.23 C ATOM 307 O GLY A 20 -12.977 15.621 33.750 1.00 35.59 O ATOM 308 HA3 GLY A 20 -12.260 16.372 30.968 1.00 0.00 H ATOM 309 HA2 GLY A 20 -11.345 15.149 31.879 1.00 0.00 H ATOM 310 H GLY A 20 -13.053 14.699 29.559 1.00 0.00 H ATOM 311 N GLU A 21 -14.610 15.381 32.224 1.00 39.59 N ATOM 312 CA GLU A 21 -15.683 15.435 33.207 1.00 39.16 C ATOM 313 C GLU A 21 -15.538 14.253 34.145 1.00 37.13 C ATOM 314 O GLU A 21 -15.705 14.386 35.356 1.00 40.14 O ATOM 315 CB GLU A 21 -17.054 15.408 32.522 1.00 41.45 C ATOM 316 CG GLU A 21 -18.237 15.663 33.453 1.00 42.47 C ATOM 317 CD GLU A 21 -19.574 15.322 32.813 1.00 50.52 C ATOM 318 OE1 GLU A 21 -19.618 14.391 31.980 1.00 46.95 O ATOM 319 OE2 GLU A 21 -20.581 15.983 33.149 1.00 48.34 O ATOM 320 HA GLU A 21 -15.614 16.367 33.769 1.00 0.00 H ATOM 321 HB2 GLU A 21 -17.061 16.173 31.746 1.00 0.00 H ATOM 322 HB3 GLU A 21 -17.186 14.427 32.065 1.00 0.00 H ATOM 323 HG2 GLU A 21 -18.114 15.054 34.348 1.00 0.00 H ATOM 324 HG3 GLU A 21 -18.242 16.717 33.730 1.00 0.00 H ATOM 325 H GLU A 21 -14.848 15.264 31.218 1.00 0.00 H ATOM 326 N LYS A 22 -15.202 13.099 33.582 1.00 35.69 N ATOM 327 CA LYS A 22 -15.056 11.882 34.369 1.00 35.22 C ATOM 328 C LYS A 22 -13.828 11.925 35.276 1.00 38.09 C ATOM 329 O LYS A 22 -13.898 11.526 36.436 1.00 42.93 O ATOM 330 CB LYS A 22 -14.970 10.661 33.451 1.00 35.70 C ATOM 331 HA LYS A 22 -15.939 11.806 35.004 1.00 0.00 H ATOM 332 HB2 LYS A 22 -15.880 10.592 32.854 1.00 0.00 H ATOM 333 HB3 LYS A 22 -14.108 10.764 32.792 1.00 0.00 H ATOM 334 H LYS A 22 -15.039 13.063 32.555 1.00 0.00 H ATOM 335 N ILE A 23 -12.706 12.406 34.748 1.00 35.40 N ATOM 336 CA ILE A 23 -11.452 12.391 35.492 1.00 36.78 C ATOM 337 C ILE A 23 -11.485 13.447 36.586 1.00 35.22 C ATOM 338 O ILE A 23 -10.778 13.344 37.584 1.00 34.89 O ATOM 339 CB ILE A 23 -10.235 12.633 34.573 1.00 37.61 C ATOM 340 CG1 ILE A 23 -9.054 11.765 35.009 1.00 40.80 C ATOM 341 CG2 ILE A 23 -9.842 14.103 34.557 1.00 33.70 C ATOM 342 CD1 ILE A 23 -9.196 10.306 34.627 1.00 41.72 C ATOM 343 HA ILE A 23 -11.345 11.401 35.936 1.00 0.00 H ATOM 344 HB ILE A 23 -10.518 12.351 33.559 1.00 0.00 H ATOM 345 HG12 ILE A 23 -8.149 12.156 34.544 1.00 0.00 H ATOM 346 HG13 ILE A 23 -8.961 11.830 36.093 1.00 0.00 H ATOM 347 HD11 ILE A 23 -10.091 9.895 35.094 1.00 0.00 H ATOM 348 HD12 ILE A 23 -9.279 10.222 33.543 1.00 0.00 H ATOM 349 HD13 ILE A 23 -8.320 9.755 34.970 1.00 0.00 H ATOM 350 HG21 ILE A 23 -10.679 14.698 34.191 1.00 0.00 H ATOM 351 HG22 ILE A 23 -9.584 14.420 35.568 1.00 0.00 H ATOM 352 HG23 ILE A 23 -8.982 14.241 33.901 1.00 0.00 H ATOM 353 H ILE A 23 -12.723 12.800 33.786 1.00 0.00 H ATOM 354 N ARG A 24 -12.309 14.467 36.390 1.00 31.35 N ATOM 355 CA ARG A 24 -12.537 15.453 37.430 1.00 33.46 C ATOM 356 C ARG A 24 -13.490 14.868 38.465 1.00 37.47 C ATOM 357 O ARG A 24 -13.373 15.143 39.656 1.00 37.89 O ATOM 358 CB ARG A 24 -13.114 16.737 36.838 1.00 30.32 C ATOM 359 CG ARG A 24 -12.112 17.538 36.031 1.00 31.57 C ATOM 360 CD ARG A 24 -11.067 18.150 36.930 1.00 32.58 C ATOM 361 NE ARG A 24 -11.593 19.302 37.652 1.00 31.24 N ATOM 362 CZ ARG A 24 -11.224 19.652 38.879 1.00 32.65 C ATOM 363 NH1 ARG A 24 -10.327 18.931 39.536 1.00 40.79 N ATOM 364 NH2 ARG A 24 -11.760 20.719 39.455 1.00 32.21 N ATOM 365 HA ARG A 24 -11.589 15.702 37.906 1.00 0.00 H ATOM 366 HB2 ARG A 24 -13.948 16.472 36.188 1.00 0.00 H ATOM 367 HB3 ARG A 24 -13.476 17.361 37.655 1.00 0.00 H ATOM 368 HG2 ARG A 24 -11.624 16.880 35.312 1.00 0.00 H ATOM 369 HG3 ARG A 24 -12.635 18.332 35.498 1.00 0.00 H ATOM 370 HD2 ARG A 24 -10.220 18.469 36.323 1.00 0.00 H ATOM 371 HD3 ARG A 24 -10.736 17.401 37.650 1.00 0.00 H ATOM 372 HE ARG A 24 -12.306 19.890 37.174 1.00 0.00 H ATOM 373 HH12 ARG A 24 -10.040 19.208 40.497 1.00 0.00 H ATOM 374 HH11 ARG A 24 -9.910 18.089 39.091 1.00 0.00 H ATOM 375 HH22 ARG A 24 -11.470 20.992 40.416 1.00 0.00 H ATOM 376 HH21 ARG A 24 -12.470 21.283 38.946 1.00 0.00 H ATOM 377 H ARG A 24 -12.799 14.562 35.478 1.00 0.00 H ATOM 378 N LYS A 25 -14.428 14.049 37.998 1.00 37.21 N ATOM 379 CA LYS A 25 -15.431 13.449 38.869 1.00 41.17 C ATOM 380 C LYS A 25 -14.845 12.275 39.637 1.00 43.82 C ATOM 381 O LYS A 25 -15.478 11.752 40.554 1.00 52.53 O ATOM 382 CB LYS A 25 -16.639 12.970 38.053 1.00 43.82 C ATOM 383 CG LYS A 25 -17.676 14.041 37.749 1.00 40.33 C ATOM 384 CD LYS A 25 -18.956 13.421 37.189 1.00 40.66 C ATOM 385 CE LYS A 25 -19.865 14.467 36.583 1.00 43.57 C ATOM 386 NZ LYS A 25 -21.238 13.954 36.344 1.00 45.53 N ATOM 387 HA LYS A 25 -15.756 14.212 39.577 1.00 0.00 H ATOM 388 HB2 LYS A 25 -16.272 12.576 37.105 1.00 0.00 H ATOM 389 HB3 LYS A 25 -17.130 12.173 38.611 1.00 0.00 H ATOM 390 HG2 LYS A 25 -17.912 14.579 38.667 1.00 0.00 H ATOM 391 HG3 LYS A 25 -17.266 14.736 37.016 1.00 0.00 H ATOM 392 HD2 LYS A 25 -18.690 12.695 36.420 1.00 0.00 H ATOM 393 HD3 LYS A 25 -19.487 12.916 37.996 1.00 0.00 H ATOM 394 HE2 LYS A 25 -19.442 14.791 35.632 1.00 0.00 H ATOM 395 HE3 LYS A 25 -19.922 15.318 37.262 1.00 0.00 H ATOM 396 HZ1 LYS A 25 -21.196 13.146 35.690 1.00 0.00 H ATOM 397 HZ2 LYS A 25 -21.655 13.649 37.247 1.00 0.00 H ATOM 398 HZ3 LYS A 25 -21.821 14.708 35.928 1.00 0.00 H ATOM 399 H LYS A 25 -14.446 13.830 36.981 1.00 0.00 H ATOM 400 N LYS A 26 -13.638 11.859 39.261 1.00 43.05 N ATOM 401 CA LYS A 26 -13.013 10.690 39.870 1.00 40.18 C ATOM 402 C LYS A 26 -11.856 11.075 40.786 1.00 46.65 C ATOM 403 O LYS A 26 -11.724 10.543 41.889 1.00 51.28 O ATOM 404 CB LYS A 26 -12.515 9.728 38.792 1.00 46.15 C ATOM 405 CG LYS A 26 -11.859 8.475 39.361 1.00 51.75 C ATOM 406 CD LYS A 26 -11.695 7.384 38.307 1.00 55.05 C ATOM 407 CE LYS A 26 -11.167 6.091 38.918 1.00 55.61 C ATOM 408 NZ LYS A 26 -11.045 4.989 37.923 1.00 65.52 N ATOM 409 HA LYS A 26 -13.774 10.198 40.476 1.00 0.00 H ATOM 410 HB2 LYS A 26 -13.363 9.427 38.178 1.00 0.00 H ATOM 411 HB3 LYS A 26 -11.786 10.250 38.172 1.00 0.00 H ATOM 412 HG2 LYS A 26 -10.876 8.739 39.750 1.00 0.00 H ATOM 413 HG3 LYS A 26 -12.478 8.091 40.172 1.00 0.00 H ATOM 414 HD2 LYS A 26 -12.663 7.189 37.846 1.00 0.00 H ATOM 415 HD3 LYS A 26 -10.994 7.729 37.546 1.00 0.00 H ATOM 416 HE2 LYS A 26 -11.849 5.774 39.707 1.00 0.00 H ATOM 417 HE3 LYS A 26 -10.183 6.284 39.346 1.00 0.00 H ATOM 418 HZ1 LYS A 26 -11.980 4.789 37.513 1.00 0.00 H ATOM 419 HZ2 LYS A 26 -10.389 5.276 37.169 1.00 0.00 H ATOM 420 HZ3 LYS A 26 -10.682 4.136 38.395 1.00 0.00 H ATOM 421 H LYS A 26 -13.130 12.378 38.517 1.00 0.00 H ATOM 422 N TYR A 27 -11.019 11.994 40.319 1.00 43.82 N ATOM 423 CA TYR A 27 -9.869 12.448 41.089 1.00 42.01 C ATOM 424 C TYR A 27 -9.967 13.953 41.314 1.00 41.86 C ATOM 425 O TYR A 27 -9.174 14.720 40.771 1.00 36.93 O ATOM 426 CB TYR A 27 -8.568 12.119 40.354 1.00 39.69 C ATOM 427 CG TYR A 27 -8.402 10.659 39.986 1.00 46.30 C ATOM 428 CD1 TYR A 27 -7.858 9.748 40.887 1.00 51.26 C ATOM 429 CD2 TYR A 27 -8.774 10.194 38.732 1.00 46.44 C ATOM 430 CE1 TYR A 27 -7.700 8.412 40.548 1.00 51.59 C ATOM 431 CE2 TYR A 27 -8.619 8.863 38.385 1.00 53.59 C ATOM 432 CZ TYR A 27 -8.083 7.977 39.295 1.00 53.08 C ATOM 433 OH TYR A 27 -7.931 6.654 38.946 1.00 58.70 O ATOM 434 HA TYR A 27 -9.865 11.934 42.050 1.00 0.00 H ATOM 435 HB3 TYR A 27 -7.734 12.405 40.995 1.00 0.00 H ATOM 436 HB2 TYR A 27 -8.538 12.707 39.436 1.00 0.00 H ATOM 437 HD2 TYR A 27 -9.196 10.890 38.007 1.00 0.00 H ATOM 438 HE2 TYR A 27 -8.920 8.517 37.396 1.00 0.00 H ATOM 439 HE1 TYR A 27 -7.276 7.710 41.266 1.00 0.00 H ATOM 440 HD1 TYR A 27 -7.551 10.090 41.875 1.00 0.00 H ATOM 441 HH TYR A 27 -7.333 6.588 38.160 1.00 0.00 H ATOM 442 H TYR A 27 -11.189 12.401 39.377 1.00 0.00 H ATOM 443 N PRO A 28 -10.954 14.378 42.113 1.00 40.65 N ATOM 444 CA PRO A 28 -11.266 15.789 42.376 1.00 43.71 C ATOM 445 C PRO A 28 -10.090 16.619 42.901 1.00 48.41 C ATOM 446 O PRO A 28 -9.965 17.793 42.548 1.00 47.84 O ATOM 447 CB PRO A 28 -12.373 15.702 43.439 1.00 44.83 C ATOM 448 CG PRO A 28 -12.289 14.295 43.973 1.00 48.52 C ATOM 449 CD PRO A 28 -11.922 13.496 42.780 1.00 44.66 C ATOM 450 HA PRO A 28 -11.546 16.301 41.455 1.00 0.00 H ATOM 451 HD3 PRO A 28 -11.466 12.547 43.062 1.00 0.00 H ATOM 452 HD2 PRO A 28 -12.789 13.307 42.147 1.00 0.00 H ATOM 453 HG3 PRO A 28 -13.248 13.973 44.378 1.00 0.00 H ATOM 454 HG2 PRO A 28 -11.525 14.216 44.746 1.00 0.00 H ATOM 455 HB2 PRO A 28 -12.198 16.426 44.235 1.00 0.00 H ATOM 456 HB3 PRO A 28 -13.350 15.885 42.992 1.00 0.00 H ATOM 457 N ASP A 29 -9.249 16.021 43.738 1.00 48.10 N ATOM 458 CA ASP A 29 -8.127 16.740 44.337 1.00 48.26 C ATOM 459 C ASP A 29 -6.982 16.995 43.350 1.00 49.70 C ATOM 460 O ASP A 29 -6.055 17.746 43.654 1.00 49.84 O ATOM 461 CB ASP A 29 -7.606 15.983 45.562 1.00 53.71 C ATOM 462 CG ASP A 29 -7.060 14.606 45.215 1.00 58.27 C ATOM 463 OD1 ASP A 29 -7.569 13.971 44.266 1.00 51.40 O ATOM 464 OD2 ASP A 29 -6.121 14.155 45.903 1.00 67.34 O ATOM 465 HA ASP A 29 -8.507 17.716 44.639 1.00 0.00 H ATOM 466 HB2 ASP A 29 -6.809 16.569 46.021 1.00 0.00 H ATOM 467 HB3 ASP A 29 -8.424 15.865 46.273 1.00 0.00 H ATOM 468 H ASP A 29 -9.393 15.018 43.972 1.00 0.00 H ATOM 469 N ARG A 30 -7.052 16.366 42.178 1.00 45.59 N ATOM 470 CA ARG A 30 -6.060 16.558 41.120 1.00 44.98 C ATOM 471 C ARG A 30 -6.673 17.302 39.938 1.00 41.10 C ATOM 472 O ARG A 30 -7.879 17.238 39.717 1.00 43.48 O ATOM 473 CB ARG A 30 -5.548 15.205 40.622 1.00 48.31 C ATOM 474 CG ARG A 30 -5.029 14.272 41.704 1.00 52.32 C ATOM 475 CD ARG A 30 -3.517 14.342 41.831 1.00 54.67 C ATOM 476 NE ARG A 30 -2.967 13.107 42.388 1.00 60.02 N ATOM 477 CZ ARG A 30 -1.701 12.721 42.254 1.00 61.78 C ATOM 478 NH1 ARG A 30 -0.841 13.471 41.577 1.00 54.23 N ATOM 479 NH2 ARG A 30 -1.295 11.579 42.794 1.00 66.09 N ATOM 480 HA ARG A 30 -5.238 17.140 41.536 1.00 0.00 H ATOM 481 HB2 ARG A 30 -6.367 14.703 40.107 1.00 0.00 H ATOM 482 HB3 ARG A 30 -4.737 15.389 39.918 1.00 0.00 H ATOM 483 HG2 ARG A 30 -5.477 14.553 42.657 1.00 0.00 H ATOM 484 HG3 ARG A 30 -5.316 13.250 41.456 1.00 0.00 H ATOM 485 HD2 ARG A 30 -3.255 15.173 42.485 1.00 0.00 H ATOM 486 HD3 ARG A 30 -3.086 14.508 40.844 1.00 0.00 H ATOM 487 HE ARG A 30 -3.608 12.489 42.925 1.00 0.00 H ATOM 488 HH12 ARG A 30 0.148 13.165 41.475 1.00 0.00 H ATOM 489 HH11 ARG A 30 -1.156 14.365 41.148 1.00 0.00 H ATOM 490 HH22 ARG A 30 -0.305 11.277 42.689 1.00 0.00 H ATOM 491 HH21 ARG A 30 -1.966 10.986 43.322 1.00 0.00 H ATOM 492 H ARG A 30 -7.843 15.713 42.008 1.00 0.00 H ATOM 493 N VAL A 31 -5.840 18.000 39.172 1.00 41.70 N ATOM 494 CA VAL A 31 -6.292 18.622 37.932 1.00 39.18 C ATOM 495 C VAL A 31 -5.616 17.952 36.740 1.00 34.06 C ATOM 496 O VAL A 31 -4.407 17.724 36.755 1.00 35.63 O ATOM 497 CB VAL A 31 -6.006 20.141 37.898 1.00 34.54 C ATOM 498 CG1 VAL A 31 -6.615 20.827 39.106 1.00 38.03 C ATOM 499 CG2 VAL A 31 -4.516 20.409 37.824 1.00 38.79 C ATOM 500 HA VAL A 31 -7.372 18.487 37.879 1.00 0.00 H ATOM 501 HB VAL A 31 -6.468 20.553 37.001 1.00 0.00 H ATOM 502 HG11 VAL A 31 -7.694 20.670 39.106 1.00 0.00 H ATOM 503 HG12 VAL A 31 -6.186 20.407 40.016 1.00 0.00 H ATOM 504 HG13 VAL A 31 -6.402 21.895 39.062 1.00 0.00 H ATOM 505 HG21 VAL A 31 -4.027 19.979 38.698 1.00 0.00 H ATOM 506 HG22 VAL A 31 -4.111 19.955 36.920 1.00 0.00 H ATOM 507 HG23 VAL A 31 -4.342 21.485 37.801 1.00 0.00 H ATOM 508 H VAL A 31 -4.847 18.105 39.462 1.00 0.00 H ATOM 509 N PRO A 32 -6.404 17.616 35.708 1.00 31.10 N ATOM 510 CA PRO A 32 -5.864 16.965 34.510 1.00 30.94 C ATOM 511 C PRO A 32 -5.111 17.954 33.634 1.00 29.58 C ATOM 512 O PRO A 32 -5.664 18.990 33.283 1.00 30.92 O ATOM 513 CB PRO A 32 -7.122 16.469 33.795 1.00 31.39 C ATOM 514 CG PRO A 32 -8.177 17.434 34.223 1.00 33.67 C ATOM 515 CD PRO A 32 -7.875 17.678 35.670 1.00 35.35 C ATOM 516 HA PRO A 32 -5.150 16.175 34.743 1.00 0.00 H ATOM 517 HD3 PRO A 32 -8.236 18.656 35.988 1.00 0.00 H ATOM 518 HD2 PRO A 32 -8.318 16.906 36.300 1.00 0.00 H ATOM 519 HG3 PRO A 32 -9.171 17.003 34.101 1.00 0.00 H ATOM 520 HG2 PRO A 32 -8.112 18.360 33.651 1.00 0.00 H ATOM 521 HB2 PRO A 32 -6.989 16.492 32.713 1.00 0.00 H ATOM 522 HB3 PRO A 32 -7.373 15.455 34.107 1.00 0.00 H ATOM 523 N VAL A 33 -3.870 17.630 33.287 1.00 31.26 N ATOM 524 CA VAL A 33 -3.021 18.537 32.525 1.00 29.71 C ATOM 525 C VAL A 33 -2.437 17.848 31.295 1.00 30.00 C ATOM 526 O VAL A 33 -1.849 16.774 31.396 1.00 29.02 O ATOM 527 CB VAL A 33 -1.860 19.067 33.391 1.00 35.29 C ATOM 528 CG1 VAL A 33 -0.991 20.027 32.589 1.00 32.81 C ATOM 529 CG2 VAL A 33 -2.396 19.745 34.647 1.00 32.58 C ATOM 530 HA VAL A 33 -3.651 19.368 32.208 1.00 0.00 H ATOM 531 HB VAL A 33 -1.243 18.222 33.696 1.00 0.00 H ATOM 532 HG11 VAL A 33 -0.579 19.506 31.724 1.00 0.00 H ATOM 533 HG12 VAL A 33 -1.596 20.869 32.254 1.00 0.00 H ATOM 534 HG13 VAL A 33 -0.178 20.390 33.217 1.00 0.00 H ATOM 535 HG21 VAL A 33 -3.036 20.580 34.363 1.00 0.00 H ATOM 536 HG22 VAL A 33 -2.972 19.026 35.229 1.00 0.00 H ATOM 537 HG23 VAL A 33 -1.562 20.112 35.244 1.00 0.00 H ATOM 538 H VAL A 33 -3.493 16.702 33.567 1.00 0.00 H ATOM 539 N ILE A 34 -2.621 18.474 30.136 1.00 28.65 N ATOM 540 CA ILE A 34 -1.997 18.033 28.894 1.00 29.10 C ATOM 541 C ILE A 34 -0.747 18.867 28.650 1.00 30.58 C ATOM 542 O ILE A 34 -0.822 20.090 28.575 1.00 31.89 O ATOM 543 CB ILE A 34 -2.940 18.219 27.691 1.00 30.93 C ATOM 544 CG1 ILE A 34 -4.307 17.585 27.974 1.00 31.13 C ATOM 545 CG2 ILE A 34 -2.311 17.634 26.425 1.00 28.60 C ATOM 546 CD1 ILE A 34 -4.291 16.069 28.023 1.00 34.13 C ATOM 547 HA ILE A 34 -1.758 16.974 28.992 1.00 0.00 H ATOM 548 HB ILE A 34 -3.094 19.286 27.530 1.00 0.00 H ATOM 549 HG12 ILE A 34 -4.663 17.955 28.936 1.00 0.00 H ATOM 550 HG13 ILE A 34 -4.997 17.895 27.189 1.00 0.00 H ATOM 551 HD11 ILE A 34 -3.949 15.679 27.064 1.00 0.00 H ATOM 552 HD12 ILE A 34 -3.615 15.739 28.812 1.00 0.00 H ATOM 553 HD13 ILE A 34 -5.297 15.703 28.228 1.00 0.00 H ATOM 554 HG21 ILE A 34 -1.369 18.143 26.220 1.00 0.00 H ATOM 555 HG22 ILE A 34 -2.126 16.570 26.571 1.00 0.00 H ATOM 556 HG23 ILE A 34 -2.991 17.774 25.585 1.00 0.00 H ATOM 557 H ILE A 34 -3.235 19.313 30.115 1.00 0.00 H ATOM 558 N VAL A 35 0.399 18.207 28.519 1.00 27.30 N ATOM 559 CA VAL A 35 1.669 18.910 28.377 1.00 31.61 C ATOM 560 C VAL A 35 2.372 18.518 27.084 1.00 33.21 C ATOM 561 O VAL A 35 2.714 17.353 26.884 1.00 34.38 O ATOM 562 CB VAL A 35 2.605 18.624 29.563 1.00 29.27 C ATOM 563 CG1 VAL A 35 3.895 19.407 29.418 1.00 32.57 C ATOM 564 CG2 VAL A 35 1.918 18.968 30.877 1.00 32.26 C ATOM 565 HA VAL A 35 1.439 19.975 28.354 1.00 0.00 H ATOM 566 HB VAL A 35 2.844 17.561 29.567 1.00 0.00 H ATOM 567 HG11 VAL A 35 4.393 19.116 28.493 1.00 0.00 H ATOM 568 HG12 VAL A 35 3.670 20.473 29.391 1.00 0.00 H ATOM 569 HG13 VAL A 35 4.546 19.193 30.266 1.00 0.00 H ATOM 570 HG21 VAL A 35 1.652 20.025 30.881 1.00 0.00 H ATOM 571 HG22 VAL A 35 1.016 18.365 30.983 1.00 0.00 H ATOM 572 HG23 VAL A 35 2.595 18.759 31.705 1.00 0.00 H ATOM 573 H VAL A 35 0.390 17.167 28.518 1.00 0.00 H ATOM 574 N GLU A 36 2.583 19.500 26.211 1.00 31.30 N ATOM 575 CA GLU A 36 3.225 19.267 24.923 1.00 35.60 C ATOM 576 C GLU A 36 4.312 20.288 24.633 1.00 34.55 C ATOM 577 O GLU A 36 4.243 21.432 25.077 1.00 32.54 O ATOM 578 CB GLU A 36 2.196 19.331 23.800 1.00 39.59 C ATOM 579 CG GLU A 36 1.341 18.096 23.662 1.00 43.26 C ATOM 580 CD GLU A 36 0.382 18.206 22.499 1.00 52.40 C ATOM 581 OE1 GLU A 36 0.576 19.112 21.659 1.00 47.11 O ATOM 582 OE2 GLU A 36 -0.562 17.392 22.428 1.00 53.08 O ATOM 583 HA GLU A 36 3.678 18.277 24.973 1.00 0.00 H ATOM 584 HB2 GLU A 36 1.539 20.180 23.988 1.00 0.00 H ATOM 585 HB3 GLU A 36 2.727 19.484 22.860 1.00 0.00 H ATOM 586 HG2 GLU A 36 1.989 17.233 23.506 1.00 0.00 H ATOM 587 HG3 GLU A 36 0.769 17.958 24.580 1.00 0.00 H ATOM 588 H GLU A 36 2.280 20.464 26.455 1.00 0.00 H ATOM 589 N LYS A 37 5.307 19.871 23.861 1.00 34.95 N ATOM 590 CA LYS A 37 6.387 20.762 23.474 1.00 35.92 C ATOM 591 C LYS A 37 5.889 21.771 22.449 1.00 34.91 C ATOM 592 O LYS A 37 5.276 21.404 21.448 1.00 38.68 O ATOM 593 CB LYS A 37 7.560 19.966 22.902 1.00 36.03 C ATOM 594 CG LYS A 37 8.708 20.834 22.424 1.00 34.34 C ATOM 595 CD LYS A 37 10.011 20.058 22.386 1.00 40.08 C ATOM 596 CE LYS A 37 9.943 18.890 21.428 1.00 35.75 C ATOM 597 NZ LYS A 37 11.229 18.147 21.389 1.00 38.69 N ATOM 598 HA LYS A 37 6.731 21.296 24.360 1.00 0.00 H ATOM 599 HB2 LYS A 37 7.933 19.297 23.677 1.00 0.00 H ATOM 600 HB3 LYS A 37 7.199 19.377 22.059 1.00 0.00 H ATOM 601 HG2 LYS A 37 8.483 21.199 21.422 1.00 0.00 H ATOM 602 HG3 LYS A 37 8.819 21.681 23.102 1.00 0.00 H ATOM 603 HD2 LYS A 37 10.811 20.727 22.070 1.00 0.00 H ATOM 604 HD3 LYS A 37 10.227 19.682 23.386 1.00 0.00 H ATOM 605 HE2 LYS A 37 9.718 19.263 20.429 1.00 0.00 H ATOM 606 HE3 LYS A 37 9.151 18.213 21.749 1.00 0.00 H ATOM 607 HZ1 LYS A 37 11.988 18.786 21.078 1.00 0.00 H ATOM 608 HZ2 LYS A 37 11.447 17.784 22.339 1.00 0.00 H ATOM 609 HZ3 LYS A 37 11.149 17.352 20.723 1.00 0.00 H ATOM 610 H LYS A 37 5.314 18.886 23.526 1.00 0.00 H ATOM 611 N ALA A 38 6.149 23.046 22.714 1.00 33.35 N ATOM 612 CA ALA A 38 5.749 24.118 21.814 1.00 34.71 C ATOM 613 C ALA A 38 6.475 23.982 20.486 1.00 36.51 C ATOM 614 O ALA A 38 7.545 23.381 20.417 1.00 40.71 O ATOM 615 CB ALA A 38 6.054 25.466 22.439 1.00 39.80 C ATOM 616 HA ALA A 38 4.676 24.047 21.638 1.00 0.00 H ATOM 617 HB1 ALA A 38 5.506 25.563 23.376 1.00 0.00 H ATOM 618 HB2 ALA A 38 7.124 25.542 22.632 1.00 0.00 H ATOM 619 HB3 ALA A 38 5.750 26.259 21.756 1.00 0.00 H ATOM 620 H ALA A 38 6.654 23.286 23.591 1.00 0.00 H ATOM 621 N PRO A 39 5.891 24.538 19.418 1.00 38.06 N ATOM 622 CA PRO A 39 6.547 24.508 18.108 1.00 41.24 C ATOM 623 C PRO A 39 7.911 25.193 18.149 1.00 38.53 C ATOM 624 O PRO A 39 8.078 26.172 18.879 1.00 34.97 O ATOM 625 CB PRO A 39 5.580 25.291 17.212 1.00 43.56 C ATOM 626 CG PRO A 39 4.260 25.222 17.910 1.00 41.89 C ATOM 627 CD PRO A 39 4.578 25.202 19.369 1.00 39.74 C ATOM 628 HA PRO A 39 6.739 23.493 17.759 1.00 0.00 H ATOM 629 HD3 PRO A 39 4.636 26.214 19.771 1.00 0.00 H ATOM 630 HD2 PRO A 39 3.831 24.634 19.924 1.00 0.00 H ATOM 631 HG3 PRO A 39 3.725 24.316 17.624 1.00 0.00 H ATOM 632 HG2 PRO A 39 3.653 26.094 17.664 1.00 0.00 H ATOM 633 HB2 PRO A 39 5.906 26.326 17.110 1.00 0.00 H ATOM 634 HB3 PRO A 39 5.516 24.833 16.225 1.00 0.00 H ATOM 635 N LYS A 40 8.869 24.673 17.383 1.00 38.76 N ATOM 636 CA LYS A 40 10.202 25.267 17.285 1.00 35.31 C ATOM 637 C LYS A 40 11.041 25.133 18.560 1.00 36.86 C ATOM 638 O LYS A 40 12.163 25.637 18.623 1.00 39.74 O ATOM 639 CB LYS A 40 10.104 26.746 16.894 1.00 40.49 C ATOM 640 CG LYS A 40 10.514 27.039 15.460 1.00 47.37 C ATOM 641 CD LYS A 40 9.423 26.658 14.471 1.00 47.11 C ATOM 642 HA LYS A 40 10.717 24.700 16.510 1.00 0.00 H ATOM 643 HB2 LYS A 40 9.071 27.068 17.027 1.00 0.00 H ATOM 644 HB3 LYS A 40 10.750 27.319 17.559 1.00 0.00 H ATOM 645 HG2 LYS A 40 10.722 28.105 15.363 1.00 0.00 H ATOM 646 HG3 LYS A 40 11.415 26.472 15.227 1.00 0.00 H ATOM 647 HD2 LYS A 40 9.213 25.592 14.556 1.00 0.00 H ATOM 648 HD3 LYS A 40 8.519 27.226 14.692 1.00 0.00 H ATOM 649 H LYS A 40 8.662 23.814 16.835 1.00 0.00 H ATOM 650 N ALA A 41 10.511 24.450 19.569 1.00 35.43 N ATOM 651 CA ALA A 41 11.230 24.294 20.829 1.00 34.95 C ATOM 652 C ALA A 41 12.406 23.334 20.681 1.00 37.22 C ATOM 653 O ALA A 41 12.245 22.188 20.257 1.00 36.44 O ATOM 654 CB ALA A 41 10.292 23.814 21.917 1.00 35.93 C ATOM 655 HA ALA A 41 11.626 25.270 21.111 1.00 0.00 H ATOM 656 HB1 ALA A 41 9.492 24.542 22.052 1.00 0.00 H ATOM 657 HB2 ALA A 41 9.866 22.853 21.630 1.00 0.00 H ATOM 658 HB3 ALA A 41 10.846 23.703 22.849 1.00 0.00 H ATOM 659 H ALA A 41 9.570 24.020 19.459 1.00 0.00 H ATOM 660 N ARG A 42 13.592 23.818 21.030 1.00 36.83 N ATOM 661 CA ARG A 42 14.801 23.006 20.999 1.00 38.39 C ATOM 662 C ARG A 42 15.026 22.435 22.390 1.00 37.08 C ATOM 663 O ARG A 42 15.669 23.061 23.232 1.00 42.91 O ATOM 664 CB ARG A 42 15.996 23.861 20.573 1.00 42.34 C ATOM 665 CG ARG A 42 15.739 24.711 19.331 1.00 42.00 C ATOM 666 CD ARG A 42 15.868 23.891 18.057 1.00 43.37 C ATOM 667 NE ARG A 42 17.257 23.519 17.799 1.00 44.09 N ATOM 668 CZ ARG A 42 17.642 22.578 16.941 1.00 51.11 C ATOM 669 NH1 ARG A 42 16.741 21.892 16.248 1.00 53.89 N ATOM 670 NH2 ARG A 42 18.935 22.315 16.784 1.00 51.48 N ATOM 671 HA ARG A 42 14.692 22.195 20.279 1.00 0.00 H ATOM 672 HB2 ARG A 42 16.253 24.526 21.397 1.00 0.00 H ATOM 673 HB3 ARG A 42 16.836 23.198 20.367 1.00 0.00 H ATOM 674 HG2 ARG A 42 14.732 25.124 19.386 1.00 0.00 H ATOM 675 HG3 ARG A 42 16.463 25.525 19.303 1.00 0.00 H ATOM 676 HD2 ARG A 42 15.497 24.479 17.218 1.00 0.00 H ATOM 677 HD3 ARG A 42 15.271 22.985 18.157 1.00 0.00 H ATOM 678 HE ARG A 42 17.998 24.026 18.324 1.00 0.00 H ATOM 679 HH12 ARG A 42 17.049 21.158 15.579 1.00 0.00 H ATOM 680 HH11 ARG A 42 15.728 22.089 16.374 1.00 0.00 H ATOM 681 HH22 ARG A 42 19.238 21.580 16.114 1.00 0.00 H ATOM 682 HH21 ARG A 42 19.644 22.844 17.331 1.00 0.00 H ATOM 683 H ARG A 42 13.660 24.810 21.336 1.00 0.00 H ATOM 684 N ILE A 43 14.491 21.245 22.635 1.00 38.12 N ATOM 685 CA ILE A 43 14.450 20.706 23.985 1.00 38.62 C ATOM 686 C ILE A 43 13.985 19.248 23.996 1.00 36.65 C ATOM 687 O ILE A 43 13.429 18.755 23.018 1.00 35.84 O ATOM 688 CB ILE A 43 13.508 21.562 24.859 1.00 40.75 C ATOM 689 CG1 ILE A 43 13.604 21.168 26.331 1.00 33.09 C ATOM 690 CG2 ILE A 43 12.075 21.439 24.370 1.00 38.15 C ATOM 691 CD1 ILE A 43 12.902 22.139 27.242 1.00 37.19 C ATOM 692 HA ILE A 43 15.461 20.738 24.390 1.00 0.00 H ATOM 693 HB ILE A 43 13.823 22.602 24.770 1.00 0.00 H ATOM 694 HG12 ILE A 43 13.154 20.183 26.458 1.00 0.00 H ATOM 695 HG13 ILE A 43 14.656 21.125 26.612 1.00 0.00 H ATOM 696 HD11 ILE A 43 13.349 23.127 27.131 1.00 0.00 H ATOM 697 HD12 ILE A 43 11.846 22.185 26.977 1.00 0.00 H ATOM 698 HD13 ILE A 43 13.005 21.806 28.275 1.00 0.00 H ATOM 699 HG21 ILE A 43 12.014 21.784 23.338 1.00 0.00 H ATOM 700 HG22 ILE A 43 11.762 20.396 24.425 1.00 0.00 H ATOM 701 HG23 ILE A 43 11.425 22.049 24.997 1.00 0.00 H ATOM 702 H ILE A 43 14.095 20.690 21.850 1.00 0.00 H ATOM 703 N GLY A 44 14.217 18.566 25.112 1.00 38.24 N ATOM 704 CA GLY A 44 13.884 17.160 25.233 1.00 39.21 C ATOM 705 C GLY A 44 12.401 16.881 25.107 1.00 39.39 C ATOM 706 O GLY A 44 11.587 17.798 25.004 1.00 37.52 O ATOM 707 HA3 GLY A 44 14.221 16.807 26.208 1.00 0.00 H ATOM 708 HA2 GLY A 44 14.407 16.612 24.449 1.00 0.00 H ATOM 709 H GLY A 44 14.650 19.054 25.922 1.00 0.00 H ATOM 710 N ASP A 45 12.054 15.599 25.129 1.00 41.49 N ATOM 711 CA ASP A 45 10.677 15.170 24.926 1.00 41.73 C ATOM 712 C ASP A 45 10.074 14.564 26.179 1.00 40.95 C ATOM 713 O ASP A 45 10.786 14.070 27.052 1.00 48.58 O ATOM 714 CB ASP A 45 10.609 14.136 23.803 1.00 46.59 C ATOM 715 CG ASP A 45 10.426 14.766 22.443 1.00 47.61 C ATOM 716 OD1 ASP A 45 9.480 15.568 22.285 1.00 47.44 O ATOM 717 OD2 ASP A 45 11.220 14.449 21.532 1.00 46.12 O ATOM 718 HA ASP A 45 10.104 16.059 24.664 1.00 0.00 H ATOM 719 HB2 ASP A 45 11.536 13.562 23.800 1.00 0.00 H ATOM 720 HB3 ASP A 45 9.770 13.468 23.994 1.00 0.00 H ATOM 721 H ASP A 45 12.787 14.880 25.296 1.00 0.00 H ATOM 722 N LEU A 46 8.749 14.611 26.254 1.00 42.33 N ATOM 723 CA LEU A 46 8.011 13.921 27.297 1.00 44.40 C ATOM 724 C LEU A 46 7.434 12.633 26.731 1.00 41.97 C ATOM 725 O LEU A 46 6.876 12.623 25.636 1.00 44.72 O ATOM 726 CB LEU A 46 6.875 14.799 27.821 1.00 45.27 C ATOM 727 CG LEU A 46 7.243 15.897 28.817 1.00 38.17 C ATOM 728 CD1 LEU A 46 5.990 16.633 29.260 1.00 35.08 C ATOM 729 CD2 LEU A 46 7.973 15.315 30.017 1.00 49.23 C ATOM 730 HA LEU A 46 8.688 13.698 28.121 1.00 0.00 H ATOM 731 HB2 LEU A 46 6.408 15.279 26.961 1.00 0.00 H ATOM 732 HB3 LEU A 46 6.152 14.144 28.307 1.00 0.00 H ATOM 733 HG LEU A 46 7.913 16.603 28.326 1.00 0.00 H ATOM 734 HD21 LEU A 46 7.330 14.589 30.515 1.00 0.00 H ATOM 735 HD22 LEU A 46 8.886 14.823 29.682 1.00 0.00 H ATOM 736 HD23 LEU A 46 8.224 16.117 30.712 1.00 0.00 H ATOM 737 HD11 LEU A 46 5.507 17.081 28.392 1.00 0.00 H ATOM 738 HD12 LEU A 46 5.306 15.930 29.735 1.00 0.00 H ATOM 739 HD13 LEU A 46 6.261 17.414 29.970 1.00 0.00 H ATOM 740 H LEU A 46 8.223 15.159 25.543 1.00 0.00 H ATOM 741 N ASP A 47 7.571 11.546 27.478 1.00 45.84 N ATOM 742 CA ASP A 47 6.986 10.279 27.070 1.00 46.30 C ATOM 743 C ASP A 47 5.468 10.410 27.066 1.00 46.62 C ATOM 744 O ASP A 47 4.816 10.179 26.048 1.00 54.20 O ATOM 745 CB ASP A 47 7.423 9.158 28.013 1.00 47.69 C ATOM 746 HA ASP A 47 7.331 10.028 26.067 1.00 0.00 H ATOM 747 HB2 ASP A 47 8.509 9.070 27.992 1.00 0.00 H ATOM 748 HB3 ASP A 47 7.096 9.389 29.027 1.00 0.00 H ATOM 749 H ASP A 47 8.105 11.601 28.369 1.00 0.00 H ATOM 750 N LYS A 48 4.912 10.795 28.210 1.00 43.70 N ATOM 751 CA LYS A 48 3.470 10.947 28.347 1.00 39.69 C ATOM 752 C LYS A 48 3.070 12.417 28.285 1.00 40.46 C ATOM 753 O LYS A 48 3.848 13.297 28.651 1.00 40.79 O ATOM 754 CB LYS A 48 2.999 10.333 29.666 1.00 43.99 C ATOM 755 HA LYS A 48 2.992 10.425 27.518 1.00 0.00 H ATOM 756 HB2 LYS A 48 3.250 9.272 29.682 1.00 0.00 H ATOM 757 HB3 LYS A 48 3.493 10.837 30.497 1.00 0.00 H ATOM 758 H LYS A 48 5.522 10.993 29.029 1.00 0.00 H ATOM 759 N LYS A 49 1.853 12.669 27.812 1.00 39.89 N ATOM 760 CA LYS A 49 1.308 14.020 27.733 1.00 38.70 C ATOM 761 C LYS A 49 0.287 14.256 28.838 1.00 37.19 C ATOM 762 O LYS A 49 -0.085 15.393 29.118 1.00 30.01 O ATOM 763 CB LYS A 49 0.617 14.242 26.385 1.00 37.84 C ATOM 764 CG LYS A 49 1.541 14.225 25.180 1.00 46.96 C ATOM 765 CD LYS A 49 0.770 14.526 23.897 1.00 49.94 C ATOM 766 CE LYS A 49 1.679 14.493 22.675 1.00 65.59 C ATOM 767 NZ LYS A 49 0.928 14.704 21.403 1.00 67.45 N ATOM 768 HA LYS A 49 2.140 14.716 27.845 1.00 0.00 H ATOM 769 HB2 LYS A 49 -0.127 13.456 26.252 1.00 0.00 H ATOM 770 HB3 LYS A 49 0.119 15.211 26.416 1.00 0.00 H ATOM 771 HG2 LYS A 49 2.318 14.978 25.315 1.00 0.00 H ATOM 772 HG3 LYS A 49 2.002 13.241 25.097 1.00 0.00 H ATOM 773 HD2 LYS A 49 -0.016 13.781 23.774 1.00 0.00 H ATOM 774 HD3 LYS A 49 0.321 15.516 23.978 1.00 0.00 H ATOM 775 HE2 LYS A 49 2.175 13.523 22.633 1.00 0.00 H ATOM 776 HE3 LYS A 49 2.428 15.278 22.774 1.00 0.00 H ATOM 777 HZ1 LYS A 49 0.215 13.955 21.294 1.00 0.00 H ATOM 778 HZ2 LYS A 49 0.457 15.631 21.429 1.00 0.00 H ATOM 779 HZ3 LYS A 49 1.590 14.673 20.602 1.00 0.00 H ATOM 780 H LYS A 49 1.268 11.873 27.486 1.00 0.00 H ATOM 781 N LYS A 50 -0.172 13.172 29.456 1.00 38.89 N ATOM 782 CA LYS A 50 -1.271 13.242 30.409 1.00 35.80 C ATOM 783 C LYS A 50 -0.782 13.139 31.849 1.00 35.99 C ATOM 784 O LYS A 50 -0.151 12.153 32.226 1.00 40.00 O ATOM 785 CB LYS A 50 -2.268 12.120 30.124 1.00 40.49 C ATOM 786 CG LYS A 50 -2.947 12.225 28.770 1.00 43.93 C ATOM 787 CD LYS A 50 -3.992 11.133 28.582 1.00 43.89 C ATOM 788 CE LYS A 50 -4.835 11.387 27.343 1.00 54.30 C ATOM 789 NZ LYS A 50 -5.961 10.420 27.209 1.00 60.10 N ATOM 790 HA LYS A 50 -1.754 14.212 30.291 1.00 0.00 H ATOM 791 HB2 LYS A 50 -1.736 11.169 30.168 1.00 0.00 H ATOM 792 HB3 LYS A 50 -3.037 12.141 30.896 1.00 0.00 H ATOM 793 HG2 LYS A 50 -3.433 13.198 28.692 1.00 0.00 H ATOM 794 HG3 LYS A 50 -2.194 12.133 27.988 1.00 0.00 H ATOM 795 HD2 LYS A 50 -3.488 10.172 28.479 1.00 0.00 H ATOM 796 HD3 LYS A 50 -4.643 11.109 29.456 1.00 0.00 H ATOM 797 HE2 LYS A 50 -4.197 11.305 26.463 1.00 0.00 H ATOM 798 HE3 LYS A 50 -5.245 12.395 27.400 1.00 0.00 H ATOM 799 HZ1 LYS A 50 -5.581 9.454 27.145 1.00 0.00 H ATOM 800 HZ2 LYS A 50 -6.582 10.496 28.040 1.00 0.00 H ATOM 801 HZ3 LYS A 50 -6.503 10.638 26.349 1.00 0.00 H ATOM 802 H LYS A 50 0.265 12.250 29.254 1.00 0.00 H ATOM 803 N TYR A 51 -1.092 14.152 32.653 1.00 32.30 N ATOM 804 CA TYR A 51 -0.651 14.191 34.042 1.00 35.86 C ATOM 805 C TYR A 51 -1.748 14.666 34.990 1.00 34.61 C ATOM 806 O TYR A 51 -2.313 15.737 34.800 1.00 36.76 O ATOM 807 CB TYR A 51 0.555 15.122 34.183 1.00 38.00 C ATOM 808 CG TYR A 51 1.743 14.728 33.338 1.00 37.73 C ATOM 809 CD1 TYR A 51 2.664 13.791 33.789 1.00 42.73 C ATOM 810 CD2 TYR A 51 1.949 15.301 32.091 1.00 38.72 C ATOM 811 CE1 TYR A 51 3.755 13.432 33.016 1.00 42.45 C ATOM 812 CE2 TYR A 51 3.034 14.948 31.312 1.00 39.04 C ATOM 813 CZ TYR A 51 3.933 14.014 31.777 1.00 41.48 C ATOM 814 OH TYR A 51 5.012 13.665 30.997 1.00 44.36 O ATOM 815 HA TYR A 51 -0.384 13.170 34.316 1.00 0.00 H ATOM 816 HB3 TYR A 51 0.864 15.125 35.228 1.00 0.00 H ATOM 817 HB2 TYR A 51 0.247 16.127 33.893 1.00 0.00 H ATOM 818 HD2 TYR A 51 1.242 16.043 31.719 1.00 0.00 H ATOM 819 HE2 TYR A 51 3.178 15.407 30.334 1.00 0.00 H ATOM 820 HE1 TYR A 51 4.469 12.695 33.383 1.00 0.00 H ATOM 821 HD1 TYR A 51 2.525 13.331 34.767 1.00 0.00 H ATOM 822 HH TYR A 51 4.690 13.289 30.140 1.00 0.00 H ATOM 823 H TYR A 51 -1.664 14.937 32.281 1.00 0.00 H ATOM 824 N LEU A 52 -2.043 13.868 36.011 1.00 41.95 N ATOM 825 CA LEU A 52 -2.892 14.320 37.113 1.00 43.16 C ATOM 826 C LEU A 52 -2.022 14.947 38.193 1.00 42.31 C ATOM 827 O LEU A 52 -1.301 14.243 38.892 1.00 49.66 O ATOM 828 CB LEU A 52 -3.686 13.159 37.720 1.00 43.31 C ATOM 829 CG LEU A 52 -5.079 12.837 37.166 1.00 44.26 C ATOM 830 CD1 LEU A 52 -5.827 14.101 36.767 1.00 37.21 C ATOM 831 CD2 LEU A 52 -4.991 11.888 35.994 1.00 44.62 C ATOM 832 HA LEU A 52 -3.599 15.051 36.720 1.00 0.00 H ATOM 833 HB2 LEU A 52 -3.080 12.261 37.601 1.00 0.00 H ATOM 834 HB3 LEU A 52 -3.807 13.376 38.781 1.00 0.00 H ATOM 835 HG LEU A 52 -5.640 12.351 37.964 1.00 0.00 H ATOM 836 HD21 LEU A 52 -4.397 12.344 35.202 1.00 0.00 H ATOM 837 HD22 LEU A 52 -4.519 10.959 36.315 1.00 0.00 H ATOM 838 HD23 LEU A 52 -5.994 11.678 35.622 1.00 0.00 H ATOM 839 HD11 LEU A 52 -5.942 14.744 37.639 1.00 0.00 H ATOM 840 HD12 LEU A 52 -5.263 14.628 35.998 1.00 0.00 H ATOM 841 HD13 LEU A 52 -6.810 13.833 36.379 1.00 0.00 H ATOM 842 H LEU A 52 -1.662 12.901 36.027 1.00 0.00 H ATOM 843 N VAL A 53 -2.089 16.266 38.331 1.00 41.52 N ATOM 844 CA VAL A 53 -1.248 16.969 39.291 1.00 45.97 C ATOM 845 C VAL A 53 -2.080 17.586 40.411 1.00 51.28 C ATOM 846 O VAL A 53 -3.113 18.203 40.155 1.00 46.82 O ATOM 847 CB VAL A 53 -0.412 18.071 38.606 1.00 45.57 C ATOM 848 CG1 VAL A 53 0.200 17.543 37.321 1.00 43.20 C ATOM 849 CG2 VAL A 53 -1.262 19.299 38.323 1.00 46.21 C ATOM 850 HA VAL A 53 -0.572 16.229 39.720 1.00 0.00 H ATOM 851 HB VAL A 53 0.391 18.363 39.283 1.00 0.00 H ATOM 852 HG11 VAL A 53 0.845 16.695 37.549 1.00 0.00 H ATOM 853 HG12 VAL A 53 -0.594 17.225 36.646 1.00 0.00 H ATOM 854 HG13 VAL A 53 0.787 18.331 36.849 1.00 0.00 H ATOM 855 HG21 VAL A 53 -2.087 19.025 37.666 1.00 0.00 H ATOM 856 HG22 VAL A 53 -1.657 19.690 39.261 1.00 0.00 H ATOM 857 HG23 VAL A 53 -0.649 20.060 37.840 1.00 0.00 H ATOM 858 H VAL A 53 -2.754 16.807 37.743 1.00 0.00 H ATOM 859 N PRO A 54 -1.630 17.417 41.665 1.00 53.63 N ATOM 860 CA PRO A 54 -2.378 17.938 42.814 1.00 50.34 C ATOM 861 C PRO A 54 -2.651 19.430 42.706 1.00 47.46 C ATOM 862 O PRO A 54 -1.832 20.188 42.185 1.00 43.04 O ATOM 863 CB PRO A 54 -1.446 17.645 44.001 1.00 52.23 C ATOM 864 CG PRO A 54 -0.104 17.372 43.382 1.00 52.97 C ATOM 865 CD PRO A 54 -0.434 16.684 42.106 1.00 50.94 C ATOM 866 HA PRO A 54 -3.363 17.480 42.901 1.00 0.00 H ATOM 867 HD3 PRO A 54 0.377 16.777 41.384 1.00 0.00 H ATOM 868 HD2 PRO A 54 -0.653 15.629 42.270 1.00 0.00 H ATOM 869 HG3 PRO A 54 0.497 16.730 44.025 1.00 0.00 H ATOM 870 HG2 PRO A 54 0.434 18.301 43.194 1.00 0.00 H ATOM 871 HB2 PRO A 54 -1.393 18.505 44.668 1.00 0.00 H ATOM 872 HB3 PRO A 54 -1.796 16.776 44.558 1.00 0.00 H ATOM 873 N SER A 55 -3.809 19.839 43.208 1.00 49.81 N ATOM 874 CA SER A 55 -4.245 21.222 43.104 1.00 46.72 C ATOM 875 C SER A 55 -3.367 22.181 43.902 1.00 49.64 C ATOM 876 O SER A 55 -3.312 23.369 43.591 1.00 49.10 O ATOM 877 CB SER A 55 -5.697 21.348 43.573 1.00 55.81 C ATOM 878 OG SER A 55 -6.543 20.455 42.866 1.00 57.88 O ATOM 879 HA SER A 55 -4.160 21.502 42.054 1.00 0.00 H ATOM 880 HB2 SER A 55 -6.038 22.370 43.405 1.00 0.00 H ATOM 881 HB3 SER A 55 -5.748 21.119 44.638 1.00 0.00 H ATOM 882 HG SER A 55 -6.240 19.525 43.019 1.00 0.00 H ATOM 883 H SER A 55 -4.422 19.151 43.690 1.00 0.00 H ATOM 884 N ASP A 56 -2.678 21.672 44.921 1.00 52.34 N ATOM 885 CA ASP A 56 -1.940 22.540 45.841 1.00 55.51 C ATOM 886 C ASP A 56 -0.515 22.873 45.381 1.00 53.32 C ATOM 887 O ASP A 56 0.090 23.816 45.888 1.00 55.95 O ATOM 888 CB ASP A 56 -1.932 21.946 47.260 1.00 55.31 C ATOM 889 CG ASP A 56 -1.625 20.461 47.278 1.00 58.82 C ATOM 890 OD1 ASP A 56 -0.579 20.050 46.733 1.00 62.14 O ATOM 891 OD2 ASP A 56 -2.441 19.703 47.842 1.00 64.81 O ATOM 892 HA ASP A 56 -2.476 23.489 45.848 1.00 0.00 H ATOM 893 HB2 ASP A 56 -1.176 22.465 47.850 1.00 0.00 H ATOM 894 HB3 ASP A 56 -2.913 22.104 47.709 1.00 0.00 H ATOM 895 H ASP A 56 -2.664 20.642 45.066 1.00 0.00 H ATOM 896 N LEU A 57 0.008 22.117 44.418 1.00 53.56 N ATOM 897 CA LEU A 57 1.338 22.390 43.869 1.00 46.66 C ATOM 898 C LEU A 57 1.376 23.736 43.169 1.00 46.77 C ATOM 899 O LEU A 57 0.451 24.081 42.444 1.00 49.24 O ATOM 900 CB LEU A 57 1.742 21.315 42.862 1.00 50.22 C ATOM 901 CG LEU A 57 2.332 20.020 43.413 1.00 53.24 C ATOM 902 CD1 LEU A 57 2.698 19.112 42.254 1.00 60.34 C ATOM 903 CD2 LEU A 57 3.548 20.291 44.286 1.00 55.46 C ATOM 904 HA LEU A 57 2.034 22.394 44.708 1.00 0.00 H ATOM 905 HB2 LEU A 57 0.852 21.052 42.291 1.00 0.00 H ATOM 906 HB3 LEU A 57 2.484 21.754 42.195 1.00 0.00 H ATOM 907 HG LEU A 57 1.587 19.532 44.041 1.00 0.00 H ATOM 908 HD21 LEU A 57 4.312 20.796 43.695 1.00 0.00 H ATOM 909 HD22 LEU A 57 3.258 20.924 45.125 1.00 0.00 H ATOM 910 HD23 LEU A 57 3.942 19.347 44.661 1.00 0.00 H ATOM 911 HD11 LEU A 57 1.804 18.891 41.671 1.00 0.00 H ATOM 912 HD12 LEU A 57 3.432 19.611 41.621 1.00 0.00 H ATOM 913 HD13 LEU A 57 3.120 18.184 42.640 1.00 0.00 H ATOM 914 H LEU A 57 -0.540 21.315 44.047 1.00 0.00 H ATOM 915 N THR A 58 2.447 24.496 43.370 1.00 47.22 N ATOM 916 CA THR A 58 2.609 25.746 42.638 1.00 48.93 C ATOM 917 C THR A 58 3.188 25.449 41.264 1.00 49.78 C ATOM 918 O THR A 58 3.596 24.322 40.984 1.00 49.34 O ATOM 919 CB THR A 58 3.526 26.752 43.373 1.00 53.57 C ATOM 920 OG1 THR A 58 4.828 26.183 43.561 1.00 56.97 O ATOM 921 CG2 THR A 58 2.934 27.138 44.724 1.00 50.82 C ATOM 922 HA THR A 58 1.624 26.206 42.554 1.00 0.00 H ATOM 923 HB THR A 58 3.608 27.650 42.760 1.00 0.00 H ATOM 924 HG1 THR A 58 4.751 25.357 44.101 1.00 0.00 H ATOM 925 HG23 THR A 58 1.944 27.570 44.576 1.00 0.00 H ATOM 926 HG21 THR A 58 2.854 26.250 45.351 1.00 0.00 H ATOM 927 HG22 THR A 58 3.582 27.869 45.208 1.00 0.00 H ATOM 928 H THR A 58 3.173 24.198 44.053 1.00 0.00 H ATOM 929 N VAL A 59 3.217 26.463 40.406 1.00 48.18 N ATOM 930 CA VAL A 59 3.784 26.311 39.079 1.00 46.70 C ATOM 931 C VAL A 59 5.276 26.064 39.208 1.00 50.23 C ATOM 932 O VAL A 59 5.836 25.238 38.496 1.00 47.39 O ATOM 933 CB VAL A 59 3.541 27.555 38.212 1.00 49.09 C ATOM 934 CG1 VAL A 59 4.363 27.480 36.936 1.00 51.52 C ATOM 935 CG2 VAL A 59 2.060 27.695 37.890 1.00 51.65 C ATOM 936 HA VAL A 59 3.297 25.467 38.591 1.00 0.00 H ATOM 937 HB VAL A 59 3.856 28.436 38.771 1.00 0.00 H ATOM 938 HG11 VAL A 59 5.422 27.425 37.190 1.00 0.00 H ATOM 939 HG12 VAL A 59 4.076 26.592 36.372 1.00 0.00 H ATOM 940 HG13 VAL A 59 4.179 28.370 36.334 1.00 0.00 H ATOM 941 HG21 VAL A 59 1.722 26.812 37.348 1.00 0.00 H ATOM 942 HG22 VAL A 59 1.495 27.792 38.817 1.00 0.00 H ATOM 943 HG23 VAL A 59 1.905 28.582 37.275 1.00 0.00 H ATOM 944 H VAL A 59 2.826 27.383 40.691 1.00 0.00 H ATOM 945 N GLY A 60 5.915 26.783 40.124 1.00 53.94 N ATOM 946 CA GLY A 60 7.329 26.594 40.385 1.00 49.70 C ATOM 947 C GLY A 60 7.655 25.135 40.646 1.00 49.42 C ATOM 948 O GLY A 60 8.614 24.596 40.096 1.00 48.15 O ATOM 949 HA3 GLY A 60 7.610 27.182 41.259 1.00 0.00 H ATOM 950 HA2 GLY A 60 7.898 26.935 39.520 1.00 0.00 H ATOM 951 H GLY A 60 5.389 27.498 40.666 1.00 0.00 H ATOM 952 N GLN A 61 6.849 24.489 41.483 1.00 48.04 N ATOM 953 CA GLN A 61 7.090 23.098 41.840 1.00 47.19 C ATOM 954 C GLN A 61 6.833 22.190 40.648 1.00 49.65 C ATOM 955 O GLN A 61 7.408 21.109 40.548 1.00 52.53 O ATOM 956 CB GLN A 61 6.202 22.681 43.011 1.00 47.93 C ATOM 957 CG GLN A 61 6.366 23.550 44.243 1.00 50.93 C ATOM 958 CD GLN A 61 5.443 23.138 45.373 1.00 52.37 C ATOM 959 OE1 GLN A 61 4.544 23.886 45.758 1.00 52.38 O ATOM 960 NE2 GLN A 61 5.657 21.939 45.907 1.00 53.00 N ATOM 961 HA GLN A 61 8.134 23.001 42.139 1.00 0.00 H ATOM 962 HB2 GLN A 61 5.162 22.733 42.689 1.00 0.00 H ATOM 963 HB3 GLN A 61 6.447 21.653 43.280 1.00 0.00 H ATOM 964 HG2 GLN A 61 7.397 23.475 44.589 1.00 0.00 H ATOM 965 HG3 GLN A 61 6.149 24.583 43.973 1.00 0.00 H ATOM 966 HE22 GLN A 61 6.429 21.341 45.549 1.00 0.00 H ATOM 967 HE21 GLN A 61 5.052 21.600 46.682 1.00 0.00 H ATOM 968 H GLN A 61 6.031 24.986 41.890 1.00 0.00 H ATOM 969 N PHE A 62 5.962 22.635 39.747 1.00 49.22 N ATOM 970 CA PHE A 62 5.628 21.861 38.558 1.00 46.94 C ATOM 971 C PHE A 62 6.742 21.950 37.508 1.00 43.14 C ATOM 972 O PHE A 62 7.127 20.939 36.928 1.00 45.44 O ATOM 973 CB PHE A 62 4.287 22.327 37.983 1.00 42.74 C ATOM 974 CG PHE A 62 3.738 21.426 36.913 1.00 42.38 C ATOM 975 CD1 PHE A 62 3.448 20.100 37.187 1.00 44.55 C ATOM 976 CD2 PHE A 62 3.488 21.910 35.639 1.00 39.88 C ATOM 977 CE1 PHE A 62 2.936 19.269 36.203 1.00 42.00 C ATOM 978 CE2 PHE A 62 2.974 21.084 34.656 1.00 39.05 C ATOM 979 CZ PHE A 62 2.699 19.763 34.939 1.00 32.44 C ATOM 980 HA PHE A 62 5.534 20.814 38.845 1.00 0.00 H ATOM 981 HB2 PHE A 62 3.563 22.376 38.796 1.00 0.00 H ATOM 982 HB3 PHE A 62 4.422 23.322 37.559 1.00 0.00 H ATOM 983 HD2 PHE A 62 3.699 22.954 35.409 1.00 0.00 H ATOM 984 HE2 PHE A 62 2.786 21.478 33.657 1.00 0.00 H ATOM 985 HZ PHE A 62 2.295 19.111 34.165 1.00 0.00 H ATOM 986 HE1 PHE A 62 2.721 18.225 36.429 1.00 0.00 H ATOM 987 HD1 PHE A 62 3.624 19.705 38.188 1.00 0.00 H ATOM 988 H PHE A 62 5.508 23.559 39.895 1.00 0.00 H ATOM 989 N TYR A 63 7.272 23.153 37.287 1.00 44.33 N ATOM 990 CA TYR A 63 8.415 23.363 36.394 1.00 44.47 C ATOM 991 C TYR A 63 9.504 22.361 36.710 1.00 49.52 C ATOM 992 O TYR A 63 10.390 22.085 35.897 1.00 52.23 O ATOM 993 CB TYR A 63 9.019 24.742 36.626 1.00 42.82 C ATOM 994 CG TYR A 63 8.550 25.829 35.700 1.00 38.70 C ATOM 995 CD1 TYR A 63 8.768 25.750 34.336 1.00 36.62 C ATOM 996 CD2 TYR A 63 7.939 26.966 36.200 1.00 42.65 C ATOM 997 CE1 TYR A 63 8.359 26.758 33.492 1.00 36.61 C ATOM 998 CE2 TYR A 63 7.526 27.980 35.366 1.00 40.00 C ATOM 999 CZ TYR A 63 7.740 27.872 34.013 1.00 37.40 C ATOM 1000 OH TYR A 63 7.330 28.887 33.181 1.00 41.32 O ATOM 1001 HA TYR A 63 8.060 23.258 35.369 1.00 0.00 H ATOM 1002 HB3 TYR A 63 10.100 24.655 36.519 1.00 0.00 H ATOM 1003 HB2 TYR A 63 8.779 25.045 37.645 1.00 0.00 H ATOM 1004 HD2 TYR A 63 7.782 27.060 37.275 1.00 0.00 H ATOM 1005 HE2 TYR A 63 7.033 28.862 35.776 1.00 0.00 H ATOM 1006 HE1 TYR A 63 8.524 26.675 32.418 1.00 0.00 H ATOM 1007 HD1 TYR A 63 9.272 24.876 33.923 1.00 0.00 H ATOM 1008 HH TYR A 63 7.789 29.726 33.435 1.00 0.00 H ATOM 1009 H TYR A 63 6.857 23.977 37.768 1.00 0.00 H ATOM 1010 N PHE A 64 9.428 21.843 37.928 1.00 52.11 N ATOM 1011 CA PHE A 64 10.519 21.114 38.555 1.00 51.82 C ATOM 1012 C PHE A 64 10.310 19.608 38.460 1.00 53.06 C ATOM 1013 O PHE A 64 11.264 18.861 38.251 1.00 56.99 O ATOM 1014 CB PHE A 64 10.635 21.550 40.019 1.00 58.77 C ATOM 1015 CG PHE A 64 11.886 21.069 40.711 1.00 60.80 C ATOM 1016 CD1 PHE A 64 13.112 21.662 40.447 1.00 64.52 C ATOM 1017 CD2 PHE A 64 11.836 20.033 41.634 1.00 62.60 C ATOM 1018 CE1 PHE A 64 14.265 21.229 41.086 1.00 68.48 C ATOM 1019 CE2 PHE A 64 12.992 19.597 42.279 1.00 72.30 C ATOM 1020 CZ PHE A 64 14.203 20.199 42.002 1.00 71.37 C ATOM 1021 HA PHE A 64 11.445 21.345 38.028 1.00 0.00 H ATOM 1022 HB2 PHE A 64 10.623 22.639 40.053 1.00 0.00 H ATOM 1023 HB3 PHE A 64 9.773 21.161 40.561 1.00 0.00 H ATOM 1024 HD2 PHE A 64 10.882 19.555 41.857 1.00 0.00 H ATOM 1025 HE2 PHE A 64 12.940 18.782 43.001 1.00 0.00 H ATOM 1026 HZ PHE A 64 15.109 19.861 42.506 1.00 0.00 H ATOM 1027 HE1 PHE A 64 15.221 21.703 40.864 1.00 0.00 H ATOM 1028 HD1 PHE A 64 13.170 22.479 39.728 1.00 0.00 H ATOM 1029 H PHE A 64 8.544 21.964 38.462 1.00 0.00 H ATOM 1030 N LEU A 65 9.065 19.166 38.610 1.00 51.60 N ATOM 1031 CA LEU A 65 8.735 17.750 38.463 1.00 51.89 C ATOM 1032 C LEU A 65 8.799 17.366 36.986 1.00 52.54 C ATOM 1033 O LEU A 65 8.992 16.200 36.640 1.00 55.01 O ATOM 1034 CB LEU A 65 7.340 17.456 39.016 1.00 53.75 C ATOM 1035 CG LEU A 65 7.023 18.100 40.366 1.00 58.62 C ATOM 1036 CD1 LEU A 65 5.574 17.853 40.751 1.00 57.57 C ATOM 1037 CD2 LEU A 65 7.968 17.614 41.463 1.00 62.38 C ATOM 1038 HA LEU A 65 9.457 17.161 39.029 1.00 0.00 H ATOM 1039 HB2 LEU A 65 6.608 17.814 38.292 1.00 0.00 H ATOM 1040 HB3 LEU A 65 7.242 16.376 39.126 1.00 0.00 H ATOM 1041 HG LEU A 65 7.175 19.174 40.260 1.00 0.00 H ATOM 1042 HD21 LEU A 65 7.875 16.533 41.569 1.00 0.00 H ATOM 1043 HD22 LEU A 65 8.994 17.867 41.195 1.00 0.00 H ATOM 1044 HD23 LEU A 65 7.708 18.096 42.405 1.00 0.00 H ATOM 1045 HD11 LEU A 65 4.920 18.282 39.992 1.00 0.00 H ATOM 1046 HD12 LEU A 65 5.396 16.780 40.821 1.00 0.00 H ATOM 1047 HD13 LEU A 65 5.371 18.320 41.715 1.00 0.00 H ATOM 1048 H LEU A 65 8.309 19.843 38.837 1.00 0.00 H ATOM 1049 N ILE A 66 8.633 18.361 36.121 1.00 48.80 N ATOM 1050 CA ILE A 66 8.736 18.162 34.682 1.00 51.40 C ATOM 1051 C ILE A 66 10.199 18.230 34.264 1.00 55.27 C ATOM 1052 O ILE A 66 10.661 17.435 33.446 1.00 49.24 O ATOM 1053 CB ILE A 66 7.949 19.237 33.907 1.00 42.42 C ATOM 1054 CG1 ILE A 66 6.442 19.062 34.120 1.00 46.17 C ATOM 1055 CG2 ILE A 66 8.285 19.179 32.425 1.00 44.11 C ATOM 1056 CD1 ILE A 66 5.883 17.758 33.575 1.00 44.43 C ATOM 1057 HA ILE A 66 8.314 17.185 34.448 1.00 0.00 H ATOM 1058 HB ILE A 66 8.239 20.215 34.290 1.00 0.00 H ATOM 1059 HG12 ILE A 66 6.241 19.099 35.191 1.00 0.00 H ATOM 1060 HG13 ILE A 66 5.929 19.887 33.626 1.00 0.00 H ATOM 1061 HD11 ILE A 66 6.063 17.708 32.501 1.00 0.00 H ATOM 1062 HD12 ILE A 66 6.376 16.919 34.067 1.00 0.00 H ATOM 1063 HD13 ILE A 66 4.811 17.715 33.768 1.00 0.00 H ATOM 1064 HG21 ILE A 66 9.352 19.354 32.289 1.00 0.00 H ATOM 1065 HG22 ILE A 66 8.023 18.196 32.033 1.00 0.00 H ATOM 1066 HG23 ILE A 66 7.719 19.946 31.895 1.00 0.00 H ATOM 1067 H ILE A 66 8.423 19.313 36.483 1.00 0.00 H ATOM 1068 N ARG A 67 10.920 19.192 34.833 1.00 58.73 N ATOM 1069 CA ARG A 67 12.343 19.355 34.562 1.00 55.71 C ATOM 1070 C ARG A 67 13.073 18.037 34.781 1.00 53.39 C ATOM 1071 O ARG A 67 14.061 17.746 34.110 1.00 56.20 O ATOM 1072 CB ARG A 67 12.935 20.430 35.473 1.00 57.40 C ATOM 1073 CG ARG A 67 14.217 21.059 34.953 1.00 50.90 C ATOM 1074 CD ARG A 67 14.745 22.110 35.920 1.00 54.26 C ATOM 1075 NE ARG A 67 15.587 23.100 35.248 1.00 60.61 N ATOM 1076 CZ ARG A 67 15.181 24.318 34.890 1.00 59.18 C ATOM 1077 NH1 ARG A 67 13.939 24.720 35.143 1.00 54.37 N ATOM 1078 NH2 ARG A 67 16.022 25.143 34.281 1.00 58.49 N ATOM 1079 HA ARG A 67 12.466 19.663 33.524 1.00 0.00 H ATOM 1080 HB2 ARG A 67 12.193 21.219 35.596 1.00 0.00 H ATOM 1081 HB3 ARG A 67 13.146 19.978 36.442 1.00 0.00 H ATOM 1082 HG2 ARG A 67 14.970 20.281 34.827 1.00 0.00 H ATOM 1083 HG3 ARG A 67 14.018 21.529 33.990 1.00 0.00 H ATOM 1084 HD2 ARG A 67 15.333 21.614 36.693 1.00 0.00 H ATOM 1085 HD3 ARG A 67 13.900 22.621 36.380 1.00 0.00 H ATOM 1086 HE ARG A 67 16.570 22.835 35.035 1.00 0.00 H ATOM 1087 HH12 ARG A 67 13.633 25.673 34.859 1.00 0.00 H ATOM 1088 HH11 ARG A 67 13.274 24.082 35.625 1.00 0.00 H ATOM 1089 HH22 ARG A 67 15.707 26.094 34.001 1.00 0.00 H ATOM 1090 HH21 ARG A 67 16.997 24.839 34.083 1.00 0.00 H ATOM 1091 H ARG A 67 10.454 19.848 35.492 1.00 0.00 H ATOM 1092 N LYS A 68 12.578 17.243 35.725 1.00 53.12 N ATOM 1093 CA LYS A 68 13.161 15.940 36.025 1.00 51.25 C ATOM 1094 C LYS A 68 12.834 14.913 34.944 1.00 55.55 C ATOM 1095 O LYS A 68 13.679 14.094 34.580 1.00 57.19 O ATOM 1096 CB LYS A 68 12.649 15.437 37.376 1.00 55.78 C ATOM 1097 HA LYS A 68 14.243 16.064 36.060 1.00 0.00 H ATOM 1098 HB2 LYS A 68 12.930 16.145 38.156 1.00 0.00 H ATOM 1099 HB3 LYS A 68 11.563 15.346 37.341 1.00 0.00 H ATOM 1100 H LYS A 68 11.749 17.561 36.267 1.00 0.00 H ATOM 1101 N ARG A 69 11.602 14.961 34.442 1.00 57.56 N ATOM 1102 CA ARG A 69 11.129 14.016 33.432 1.00 51.66 C ATOM 1103 C ARG A 69 11.856 14.174 32.100 1.00 49.06 C ATOM 1104 O ARG A 69 12.108 13.192 31.401 1.00 51.11 O ATOM 1105 CB ARG A 69 9.627 14.198 33.211 1.00 57.37 C ATOM 1106 CG ARG A 69 8.762 13.678 34.345 1.00 57.82 C ATOM 1107 CD ARG A 69 8.630 12.167 34.285 1.00 61.02 C ATOM 1108 NE ARG A 69 8.055 11.627 35.514 1.00 59.91 N ATOM 1109 CZ ARG A 69 6.854 11.062 35.606 1.00 57.79 C ATOM 1110 NH1 ARG A 69 6.076 10.939 34.535 1.00 57.33 N ATOM 1111 NH2 ARG A 69 6.433 10.608 36.778 1.00 61.01 N ATOM 1112 HA ARG A 69 11.339 13.015 33.808 1.00 0.00 H ATOM 1113 HB2 ARG A 69 9.426 15.262 33.088 1.00 0.00 H ATOM 1114 HB3 ARG A 69 9.349 13.669 32.299 1.00 0.00 H ATOM 1115 HG2 ARG A 69 9.215 13.958 35.296 1.00 0.00 H ATOM 1116 HG3 ARG A 69 7.771 14.125 34.271 1.00 0.00 H ATOM 1117 HD2 ARG A 69 9.618 11.731 34.135 1.00 0.00 H ATOM 1118 HD3 ARG A 69 7.986 11.901 33.447 1.00 0.00 H ATOM 1119 HE ARG A 69 8.626 11.689 36.381 1.00 0.00 H ATOM 1120 HH12 ARG A 69 5.139 10.495 34.621 1.00 0.00 H ATOM 1121 HH11 ARG A 69 6.404 11.286 33.611 1.00 0.00 H ATOM 1122 HH22 ARG A 69 5.495 10.165 36.858 1.00 0.00 H ATOM 1123 HH21 ARG A 69 7.040 10.695 37.618 1.00 0.00 H ATOM 1124 H ARG A 69 10.952 15.698 34.781 1.00 0.00 H ATOM 1125 N ILE A 70 12.180 15.413 31.747 1.00 45.25 N ATOM 1126 CA ILE A 70 12.852 15.696 30.486 1.00 45.01 C ATOM 1127 C ILE A 70 14.361 15.688 30.691 1.00 43.03 C ATOM 1128 O ILE A 70 15.125 15.324 29.799 1.00 42.25 O ATOM 1129 CB ILE A 70 12.441 17.075 29.929 1.00 42.18 C ATOM 1130 CG1 ILE A 70 10.941 17.302 30.121 1.00 46.78 C ATOM 1131 CG2 ILE A 70 12.817 17.188 28.459 1.00 40.26 C ATOM 1132 CD1 ILE A 70 10.412 18.535 29.418 1.00 47.00 C ATOM 1133 HA ILE A 70 12.559 14.924 29.775 1.00 0.00 H ATOM 1134 HB ILE A 70 12.978 17.846 30.480 1.00 0.00 H ATOM 1135 HG12 ILE A 70 10.410 16.432 29.735 1.00 0.00 H ATOM 1136 HG13 ILE A 70 10.743 17.403 31.188 1.00 0.00 H ATOM 1137 HD11 ILE A 70 10.924 19.418 29.801 1.00 0.00 H ATOM 1138 HD12 ILE A 70 10.591 18.446 28.347 1.00 0.00 H ATOM 1139 HD13 ILE A 70 9.342 18.626 29.603 1.00 0.00 H ATOM 1140 HG21 ILE A 70 13.895 17.068 28.351 1.00 0.00 H ATOM 1141 HG22 ILE A 70 12.305 16.410 27.893 1.00 0.00 H ATOM 1142 HG23 ILE A 70 12.519 18.167 28.083 1.00 0.00 H ATOM 1143 H ILE A 70 11.948 16.200 32.386 1.00 0.00 H ATOM 1144 N HIS A 71 14.772 16.075 31.892 1.00 42.84 N ATOM 1145 CA HIS A 71 16.174 16.314 32.212 1.00 40.62 C ATOM 1146 C HIS A 71 16.840 17.269 31.224 1.00 37.52 C ATOM 1147 O HIS A 71 17.279 16.870 30.144 1.00 34.90 O ATOM 1148 CB HIS A 71 16.971 15.017 32.288 1.00 37.10 C ATOM 1149 CG HIS A 71 18.335 15.206 32.864 1.00 34.73 C ATOM 1150 ND1 HIS A 71 18.546 15.436 34.212 1.00 31.77 N ATOM 1151 CD2 HIS A 71 19.553 15.248 32.284 1.00 34.39 C ATOM 1152 CE1 HIS A 71 19.834 15.590 34.430 1.00 33.44 C ATOM 1153 NE2 HIS A 71 20.474 15.480 33.278 1.00 32.39 N ATOM 1154 HA HIS A 71 16.177 16.783 33.196 1.00 0.00 H ATOM 1155 HB2 HIS A 71 16.425 14.309 32.911 1.00 0.00 H ATOM 1156 HB3 HIS A 71 17.071 14.611 31.282 1.00 0.00 H ATOM 1157 HD2 HIS A 71 19.767 15.121 31.223 1.00 0.00 H ATOM 1158 HE1 HIS A 71 20.297 15.777 35.399 1.00 0.00 H ATOM 1159 H HIS A 71 14.062 16.214 32.639 1.00 0.00 H ATOM 1160 N LEU A 72 16.929 18.531 31.621 1.00 38.63 N ATOM 1161 CA LEU A 72 17.510 19.556 30.773 1.00 38.27 C ATOM 1162 C LEU A 72 19.025 19.449 30.746 1.00 33.23 C ATOM 1163 O LEU A 72 19.659 19.224 31.775 1.00 35.12 O ATOM 1164 CB LEU A 72 17.108 20.940 31.274 1.00 40.72 C ATOM 1165 CG LEU A 72 15.606 21.211 31.327 1.00 38.61 C ATOM 1166 CD1 LEU A 72 15.370 22.676 31.608 1.00 45.32 C ATOM 1167 CD2 LEU A 72 14.932 20.807 30.027 1.00 40.03 C ATOM 1168 HA LEU A 72 17.133 19.408 29.761 1.00 0.00 H ATOM 1169 HB2 LEU A 72 17.507 21.062 32.281 1.00 0.00 H ATOM 1170 HB3 LEU A 72 17.560 21.680 30.614 1.00 0.00 H ATOM 1171 HG LEU A 72 15.170 20.613 32.127 1.00 0.00 H ATOM 1172 HD21 LEU A 72 15.361 21.378 29.204 1.00 0.00 H ATOM 1173 HD22 LEU A 72 15.089 19.742 29.853 1.00 0.00 H ATOM 1174 HD23 LEU A 72 13.863 21.012 30.094 1.00 0.00 H ATOM 1175 HD11 LEU A 72 15.822 22.939 32.565 1.00 0.00 H ATOM 1176 HD12 LEU A 72 15.821 23.274 30.816 1.00 0.00 H ATOM 1177 HD13 LEU A 72 14.298 22.869 31.646 1.00 0.00 H ATOM 1178 H LEU A 72 16.574 18.793 32.563 1.00 0.00 H ATOM 1179 N ARG A 73 19.596 19.610 29.560 1.00 32.09 N ATOM 1180 CA ARG A 73 21.042 19.627 29.403 1.00 35.15 C ATOM 1181 C ARG A 73 21.584 21.011 29.755 1.00 36.85 C ATOM 1182 O ARG A 73 20.820 21.919 30.067 1.00 36.63 O ATOM 1183 CB ARG A 73 21.427 19.244 27.973 1.00 34.29 C ATOM 1184 CG ARG A 73 21.764 17.771 27.781 1.00 37.04 C ATOM 1185 CD ARG A 73 20.574 16.842 28.001 1.00 36.31 C ATOM 1186 NE ARG A 73 20.907 15.480 27.591 1.00 37.58 N ATOM 1187 CZ ARG A 73 20.233 14.386 27.934 1.00 32.98 C ATOM 1188 NH1 ARG A 73 19.166 14.463 28.716 1.00 30.84 N ATOM 1189 NH2 ARG A 73 20.640 13.204 27.493 1.00 34.01 N ATOM 1190 HA ARG A 73 21.482 18.895 30.081 1.00 0.00 H ATOM 1191 HB2 ARG A 73 20.591 19.490 27.318 1.00 0.00 H ATOM 1192 HB3 ARG A 73 22.298 19.833 27.686 1.00 0.00 H ATOM 1193 HG2 ARG A 73 22.129 17.630 26.764 1.00 0.00 H ATOM 1194 HG3 ARG A 73 22.548 17.501 28.488 1.00 0.00 H ATOM 1195 HD2 ARG A 73 19.727 17.197 27.413 1.00 0.00 H ATOM 1196 HD3 ARG A 73 20.307 16.844 29.058 1.00 0.00 H ATOM 1197 HE ARG A 73 21.740 15.356 26.981 1.00 0.00 H ATOM 1198 HH12 ARG A 73 18.649 13.599 28.976 1.00 0.00 H ATOM 1199 HH11 ARG A 73 18.846 15.387 29.070 1.00 0.00 H ATOM 1200 HH22 ARG A 73 20.119 12.343 27.756 1.00 0.00 H ATOM 1201 HH21 ARG A 73 21.480 13.137 26.884 1.00 0.00 H ATOM 1202 H ARG A 73 18.994 19.727 28.720 1.00 0.00 H ATOM 1203 N ALA A 74 22.904 21.166 29.711 1.00 38.62 N ATOM 1204 CA ALA A 74 23.543 22.421 30.098 1.00 39.90 C ATOM 1205 C ALA A 74 22.972 23.624 29.355 1.00 43.98 C ATOM 1206 O ALA A 74 22.918 23.651 28.124 1.00 46.43 O ATOM 1207 CB ALA A 74 25.040 22.340 29.873 1.00 46.08 C ATOM 1208 HA ALA A 74 23.336 22.567 31.158 1.00 0.00 H ATOM 1209 HB1 ALA A 74 25.453 21.530 30.474 1.00 0.00 H ATOM 1210 HB2 ALA A 74 25.238 22.150 28.818 1.00 0.00 H ATOM 1211 HB3 ALA A 74 25.502 23.283 30.166 1.00 0.00 H ATOM 1212 H ALA A 74 23.497 20.373 29.393 1.00 0.00 H ATOM 1213 N GLU A 75 22.551 24.622 30.121 1.00 42.66 N ATOM 1214 CA GLU A 75 22.071 25.879 29.561 1.00 51.06 C ATOM 1215 C GLU A 75 20.831 25.707 28.672 1.00 45.56 C ATOM 1216 O GLU A 75 20.552 26.540 27.812 1.00 48.47 O ATOM 1217 CB GLU A 75 23.203 26.587 28.807 1.00 54.42 C ATOM 1218 CG GLU A 75 24.517 26.631 29.597 1.00 56.22 C ATOM 1219 CD GLU A 75 25.347 27.873 29.321 1.00 57.32 C ATOM 1220 OE1 GLU A 75 24.756 28.956 29.128 1.00 56.85 O ATOM 1221 OE2 GLU A 75 26.593 27.769 29.311 1.00 59.06 O ATOM 1222 HA GLU A 75 21.755 26.503 30.397 1.00 0.00 H ATOM 1223 HB2 GLU A 75 23.379 26.059 27.870 1.00 0.00 H ATOM 1224 HB3 GLU A 75 22.892 27.610 28.594 1.00 0.00 H ATOM 1225 HG2 GLU A 75 24.282 26.602 30.661 1.00 0.00 H ATOM 1226 HG3 GLU A 75 25.109 25.754 29.333 1.00 0.00 H ATOM 1227 H GLU A 75 22.564 24.504 31.154 1.00 0.00 H ATOM 1228 N ASP A 76 20.096 24.619 28.879 1.00 39.70 N ATOM 1229 CA ASP A 76 18.718 24.538 28.415 1.00 38.43 C ATOM 1230 C ASP A 76 17.884 25.295 29.438 1.00 38.29 C ATOM 1231 O ASP A 76 18.180 25.261 30.631 1.00 38.22 O ATOM 1232 CB ASP A 76 18.224 23.090 28.351 1.00 35.43 C ATOM 1233 CG ASP A 76 18.641 22.373 27.082 1.00 36.69 C ATOM 1234 OD1 ASP A 76 19.023 23.043 26.103 1.00 37.74 O ATOM 1235 OD2 ASP A 76 18.574 21.125 27.066 1.00 32.80 O ATOM 1236 HA ASP A 76 18.638 24.953 27.410 1.00 0.00 H ATOM 1237 HB2 ASP A 76 18.629 22.547 29.205 1.00 0.00 H ATOM 1238 HB3 ASP A 76 17.135 23.092 28.406 1.00 0.00 H ATOM 1239 H ASP A 76 20.513 23.810 29.382 1.00 0.00 H ATOM 1240 N ALA A 77 16.847 25.981 28.980 1.00 36.47 N ATOM 1241 CA ALA A 77 15.899 26.608 29.891 1.00 41.99 C ATOM 1242 C ALA A 77 14.552 25.927 29.710 1.00 37.32 C ATOM 1243 O ALA A 77 14.325 25.261 28.701 1.00 32.19 O ATOM 1244 CB ALA A 77 15.792 28.100 29.608 1.00 41.20 C ATOM 1245 HA ALA A 77 16.237 26.495 30.921 1.00 0.00 H ATOM 1246 HB1 ALA A 77 16.769 28.564 29.739 1.00 0.00 H ATOM 1247 HB2 ALA A 77 15.451 28.251 28.584 1.00 0.00 H ATOM 1248 HB3 ALA A 77 15.079 28.549 30.299 1.00 0.00 H ATOM 1249 H ALA A 77 16.708 26.073 27.954 1.00 0.00 H ATOM 1250 N LEU A 78 13.666 26.084 30.687 1.00 35.65 N ATOM 1251 CA LEU A 78 12.343 25.480 30.611 1.00 34.39 C ATOM 1252 C LEU A 78 11.259 26.473 30.997 1.00 38.84 C ATOM 1253 O LEU A 78 11.179 26.896 32.143 1.00 36.88 O ATOM 1254 CB LEU A 78 12.265 24.267 31.534 1.00 36.76 C ATOM 1255 CG LEU A 78 10.880 23.641 31.678 1.00 35.10 C ATOM 1256 CD1 LEU A 78 10.453 23.011 30.369 1.00 33.53 C ATOM 1257 CD2 LEU A 78 10.877 22.617 32.789 1.00 37.20 C ATOM 1258 HA LEU A 78 12.180 25.170 29.579 1.00 0.00 H ATOM 1259 HB2 LEU A 78 12.940 23.505 31.145 1.00 0.00 H ATOM 1260 HB3 LEU A 78 12.599 24.576 32.524 1.00 0.00 H ATOM 1261 HG LEU A 78 10.166 24.424 31.934 1.00 0.00 H ATOM 1262 HD21 LEU A 78 11.599 21.833 32.561 1.00 0.00 H ATOM 1263 HD22 LEU A 78 11.148 23.100 33.728 1.00 0.00 H ATOM 1264 HD23 LEU A 78 9.882 22.181 32.877 1.00 0.00 H ATOM 1265 HD11 LEU A 78 10.421 23.775 29.593 1.00 0.00 H ATOM 1266 HD12 LEU A 78 11.168 22.237 30.089 1.00 0.00 H ATOM 1267 HD13 LEU A 78 9.464 22.568 30.486 1.00 0.00 H ATOM 1268 H LEU A 78 13.922 26.649 31.522 1.00 0.00 H ATOM 1269 N PHE A 79 10.410 26.820 30.036 1.00 36.39 N ATOM 1270 CA PHE A 79 9.322 27.757 30.274 1.00 37.51 C ATOM 1271 C PHE A 79 7.982 27.090 29.978 1.00 39.40 C ATOM 1272 O PHE A 79 7.904 26.171 29.164 1.00 37.50 O ATOM 1273 CB PHE A 79 9.498 29.002 29.402 1.00 38.02 C ATOM 1274 CG PHE A 79 10.777 29.749 29.666 1.00 42.99 C ATOM 1275 CD1 PHE A 79 10.845 30.699 30.671 1.00 38.47 C ATOM 1276 CD2 PHE A 79 11.912 29.500 28.908 1.00 39.00 C ATOM 1277 CE1 PHE A 79 12.016 31.385 30.916 1.00 38.11 C ATOM 1278 CE2 PHE A 79 13.087 30.186 29.150 1.00 36.66 C ATOM 1279 CZ PHE A 79 13.138 31.129 30.154 1.00 39.12 C ATOM 1280 HA PHE A 79 9.340 28.059 31.321 1.00 0.00 H ATOM 1281 HB2 PHE A 79 9.488 28.694 28.356 1.00 0.00 H ATOM 1282 HB3 PHE A 79 8.661 29.675 29.589 1.00 0.00 H ATOM 1283 HD2 PHE A 79 11.877 28.755 28.113 1.00 0.00 H ATOM 1284 HE2 PHE A 79 13.972 29.982 28.548 1.00 0.00 H ATOM 1285 HZ PHE A 79 14.063 31.672 30.346 1.00 0.00 H ATOM 1286 HE1 PHE A 79 12.055 32.129 31.711 1.00 0.00 H ATOM 1287 HD1 PHE A 79 9.962 30.907 31.276 1.00 0.00 H ATOM 1288 H PHE A 79 10.526 26.411 29.087 1.00 0.00 H ATOM 1289 N PHE A 80 6.932 27.558 30.645 1.00 39.51 N ATOM 1290 CA PHE A 80 5.588 27.042 30.424 1.00 38.88 C ATOM 1291 C PHE A 80 4.738 28.095 29.727 1.00 43.17 C ATOM 1292 O PHE A 80 5.069 29.281 29.736 1.00 46.71 O ATOM 1293 CB PHE A 80 4.929 26.642 31.748 1.00 39.04 C ATOM 1294 CG PHE A 80 5.452 25.359 32.331 1.00 35.43 C ATOM 1295 CD1 PHE A 80 5.965 24.361 31.517 1.00 34.64 C ATOM 1296 CD2 PHE A 80 5.402 25.138 33.693 1.00 35.19 C ATOM 1297 CE1 PHE A 80 6.436 23.182 32.057 1.00 31.73 C ATOM 1298 CE2 PHE A 80 5.871 23.959 34.236 1.00 37.71 C ATOM 1299 CZ PHE A 80 6.387 22.980 33.418 1.00 35.48 C ATOM 1300 HA PHE A 80 5.662 26.156 29.794 1.00 0.00 H ATOM 1301 HB2 PHE A 80 5.099 27.441 32.470 1.00 0.00 H ATOM 1302 HB3 PHE A 80 3.858 26.529 31.577 1.00 0.00 H ATOM 1303 HD2 PHE A 80 4.987 25.904 34.348 1.00 0.00 H ATOM 1304 HE2 PHE A 80 5.833 23.803 35.314 1.00 0.00 H ATOM 1305 HZ PHE A 80 6.756 22.048 33.846 1.00 0.00 H ATOM 1306 HE1 PHE A 80 6.847 22.410 31.406 1.00 0.00 H ATOM 1307 HD1 PHE A 80 5.997 24.510 30.438 1.00 0.00 H ATOM 1308 H PHE A 80 7.074 28.314 31.345 1.00 0.00 H ATOM 1309 N PHE A 81 3.639 27.655 29.126 1.00 40.21 N ATOM 1310 CA PHE A 81 2.741 28.557 28.421 1.00 42.20 C ATOM 1311 C PHE A 81 1.301 28.068 28.504 1.00 45.22 C ATOM 1312 O PHE A 81 1.006 26.913 28.205 1.00 40.35 O ATOM 1313 CB PHE A 81 3.156 28.686 26.957 1.00 45.29 C ATOM 1314 CG PHE A 81 4.492 29.337 26.761 1.00 45.38 C ATOM 1315 CD1 PHE A 81 4.623 30.713 26.824 1.00 46.29 C ATOM 1316 CD2 PHE A 81 5.617 28.572 26.506 1.00 41.00 C ATOM 1317 CE1 PHE A 81 5.852 31.314 26.643 1.00 46.60 C ATOM 1318 CE2 PHE A 81 6.848 29.167 26.322 1.00 42.49 C ATOM 1319 CZ PHE A 81 6.966 30.540 26.391 1.00 43.56 C ATOM 1320 HA PHE A 81 2.806 29.534 28.900 1.00 0.00 H ATOM 1321 HB2 PHE A 81 3.193 27.688 26.521 1.00 0.00 H ATOM 1322 HB3 PHE A 81 2.404 29.281 26.438 1.00 0.00 H ATOM 1323 HD2 PHE A 81 5.529 27.487 26.450 1.00 0.00 H ATOM 1324 HE2 PHE A 81 7.726 28.553 26.122 1.00 0.00 H ATOM 1325 HZ PHE A 81 7.938 31.012 26.247 1.00 0.00 H ATOM 1326 HE1 PHE A 81 5.943 32.399 26.699 1.00 0.00 H ATOM 1327 HD1 PHE A 81 3.745 31.329 27.019 1.00 0.00 H ATOM 1328 H PHE A 81 3.414 26.640 29.160 1.00 0.00 H ATOM 1329 N VAL A 82 0.412 28.961 28.922 1.00 49.64 N ATOM 1330 CA VAL A 82 -1.013 28.679 28.961 1.00 48.20 C ATOM 1331 C VAL A 82 -1.755 29.873 28.389 1.00 53.14 C ATOM 1332 O VAL A 82 -1.816 30.929 29.016 1.00 58.32 O ATOM 1333 CB VAL A 82 -1.503 28.444 30.393 1.00 46.44 C ATOM 1334 CG1 VAL A 82 -3.004 28.260 30.408 1.00 51.06 C ATOM 1335 CG2 VAL A 82 -0.822 27.236 30.996 1.00 44.60 C ATOM 1336 HA VAL A 82 -1.201 27.775 28.381 1.00 0.00 H ATOM 1337 HB VAL A 82 -1.250 29.318 30.993 1.00 0.00 H ATOM 1338 HG11 VAL A 82 -3.482 29.154 30.009 1.00 0.00 H ATOM 1339 HG12 VAL A 82 -3.269 27.400 29.794 1.00 0.00 H ATOM 1340 HG13 VAL A 82 -3.338 28.094 31.432 1.00 0.00 H ATOM 1341 HG21 VAL A 82 -1.049 26.355 30.395 1.00 0.00 H ATOM 1342 HG22 VAL A 82 0.256 27.399 31.013 1.00 0.00 H ATOM 1343 HG23 VAL A 82 -1.184 27.086 32.013 1.00 0.00 H ATOM 1344 H VAL A 82 0.747 29.895 29.232 1.00 0.00 H ATOM 1345 N ASN A 83 -2.317 29.700 27.197 1.00 51.81 N ATOM 1346 CA ASN A 83 -2.976 30.793 26.487 1.00 62.33 C ATOM 1347 C ASN A 83 -1.978 31.865 26.047 1.00 65.53 C ATOM 1348 O ASN A 83 -2.324 33.042 25.953 1.00 63.72 O ATOM 1349 CB ASN A 83 -4.076 31.416 27.354 1.00 61.29 C ATOM 1350 CG ASN A 83 -5.135 30.410 27.765 1.00 58.56 C ATOM 1351 OD1 ASN A 83 -5.556 30.374 28.922 1.00 57.99 O ATOM 1352 ND2 ASN A 83 -5.568 29.582 26.819 1.00 56.96 N ATOM 1353 HA ASN A 83 -3.429 30.371 25.590 1.00 0.00 H ATOM 1354 HB2 ASN A 83 -3.620 31.830 28.253 1.00 0.00 H ATOM 1355 HB3 ASN A 83 -4.555 32.216 26.789 1.00 0.00 H ATOM 1356 HD22 ASN A 83 -5.184 29.648 25.855 1.00 0.00 H ATOM 1357 HD21 ASN A 83 -6.290 28.868 27.043 1.00 0.00 H ATOM 1358 H ASN A 83 -2.287 28.758 26.757 1.00 0.00 H ATOM 1359 N ASN A 84 -0.737 31.442 25.808 1.00 62.69 N ATOM 1360 CA ASN A 84 0.310 32.299 25.253 1.00 60.40 C ATOM 1361 C ASN A 84 0.914 33.185 26.335 1.00 57.55 C ATOM 1362 O ASN A 84 1.407 34.279 26.063 1.00 61.24 O ATOM 1363 CB ASN A 84 -0.216 33.163 24.096 1.00 69.12 C ATOM 1364 CG ASN A 84 -0.625 32.343 22.877 1.00 69.96 C ATOM 1365 OD1 ASN A 84 0.163 31.560 22.347 1.00 66.83 O ATOM 1366 ND2 ASN A 84 -1.855 32.553 22.409 1.00 71.09 N ATOM 1367 HA ASN A 84 1.087 31.644 24.858 1.00 0.00 H ATOM 1368 HB2 ASN A 84 -1.084 33.722 24.446 1.00 0.00 H ATOM 1369 HB3 ASN A 84 0.567 33.860 23.799 1.00 0.00 H ATOM 1370 HD22 ASN A 84 -2.487 33.225 22.890 1.00 0.00 H ATOM 1371 HD21 ASN A 84 -2.183 32.045 21.563 1.00 0.00 H ATOM 1372 H ASN A 84 -0.501 30.453 26.027 1.00 0.00 H ATOM 1373 N VAL A 85 0.872 32.699 27.569 1.00 51.70 N ATOM 1374 CA VAL A 85 1.357 33.467 28.703 1.00 53.91 C ATOM 1375 C VAL A 85 2.143 32.580 29.651 1.00 49.94 C ATOM 1376 O VAL A 85 1.705 31.485 29.995 1.00 52.90 O ATOM 1377 CB VAL A 85 0.193 34.091 29.497 1.00 56.83 C ATOM 1378 CG1 VAL A 85 0.721 35.088 30.522 1.00 54.11 C ATOM 1379 CG2 VAL A 85 -0.800 34.754 28.558 1.00 63.18 C ATOM 1380 HA VAL A 85 1.994 34.256 28.303 1.00 0.00 H ATOM 1381 HB VAL A 85 -0.327 33.296 30.032 1.00 0.00 H ATOM 1382 HG11 VAL A 85 1.389 34.576 31.215 1.00 0.00 H ATOM 1383 HG12 VAL A 85 1.266 35.880 30.009 1.00 0.00 H ATOM 1384 HG13 VAL A 85 -0.115 35.518 31.073 1.00 0.00 H ATOM 1385 HG21 VAL A 85 -0.296 35.539 27.994 1.00 0.00 H ATOM 1386 HG22 VAL A 85 -1.200 34.009 27.870 1.00 0.00 H ATOM 1387 HG23 VAL A 85 -1.614 35.188 29.139 1.00 0.00 H ATOM 1388 H VAL A 85 0.483 31.748 27.728 1.00 0.00 H ATOM 1389 N ILE A 86 3.302 33.057 30.083 1.00 49.81 N ATOM 1390 CA ILE A 86 4.079 32.332 31.074 1.00 50.24 C ATOM 1391 C ILE A 86 3.386 32.430 32.428 1.00 54.20 C ATOM 1392 O ILE A 86 3.195 33.528 32.952 1.00 56.87 O ATOM 1393 CB ILE A 86 5.508 32.883 31.191 1.00 49.10 C ATOM 1394 CG1 ILE A 86 6.220 32.790 29.837 1.00 47.93 C ATOM 1395 CG2 ILE A 86 6.274 32.132 32.273 1.00 49.66 C ATOM 1396 CD1 ILE A 86 7.722 32.946 29.919 1.00 44.86 C ATOM 1397 HA ILE A 86 4.146 31.292 30.755 1.00 0.00 H ATOM 1398 HB ILE A 86 5.465 33.934 31.478 1.00 0.00 H ATOM 1399 HG12 ILE A 86 6.000 31.816 29.400 1.00 0.00 H ATOM 1400 HG13 ILE A 86 5.829 33.574 29.189 1.00 0.00 H ATOM 1401 HD11 ILE A 86 7.962 33.921 30.343 1.00 0.00 H ATOM 1402 HD12 ILE A 86 8.133 32.161 30.554 1.00 0.00 H ATOM 1403 HD13 ILE A 86 8.149 32.868 28.919 1.00 0.00 H ATOM 1404 HG21 ILE A 86 5.764 32.254 33.229 1.00 0.00 H ATOM 1405 HG22 ILE A 86 6.319 31.074 32.017 1.00 0.00 H ATOM 1406 HG23 ILE A 86 7.285 32.533 32.345 1.00 0.00 H ATOM 1407 H ILE A 86 3.659 33.959 29.709 1.00 0.00 H ATOM 1408 N PRO A 87 2.998 31.279 32.998 1.00 51.74 N ATOM 1409 CA PRO A 87 2.329 31.281 34.302 1.00 53.09 C ATOM 1410 C PRO A 87 3.274 31.704 35.416 1.00 55.88 C ATOM 1411 O PRO A 87 4.370 31.155 35.509 1.00 53.83 O ATOM 1412 CB PRO A 87 1.926 29.811 34.501 1.00 55.21 C ATOM 1413 CG PRO A 87 2.099 29.152 33.173 1.00 53.01 C ATOM 1414 CD PRO A 87 3.161 29.917 32.465 1.00 48.92 C ATOM 1415 HA PRO A 87 1.492 31.978 34.331 1.00 0.00 H ATOM 1416 HD3 PRO A 87 4.150 29.521 32.696 1.00 0.00 H ATOM 1417 HD2 PRO A 87 3.006 29.897 31.386 1.00 0.00 H ATOM 1418 HG3 PRO A 87 1.167 29.188 32.609 1.00 0.00 H ATOM 1419 HG2 PRO A 87 2.404 28.114 33.303 1.00 0.00 H ATOM 1420 HB2 PRO A 87 2.569 29.339 35.244 1.00 0.00 H ATOM 1421 HB3 PRO A 87 0.887 29.743 34.825 1.00 0.00 H ATOM 1422 N PRO A 88 2.862 32.669 36.253 1.00 62.49 N ATOM 1423 CA PRO A 88 3.693 33.039 37.402 1.00 58.80 C ATOM 1424 C PRO A 88 3.968 31.826 38.282 1.00 56.05 C ATOM 1425 O PRO A 88 3.045 31.083 38.611 1.00 55.95 O ATOM 1426 CB PRO A 88 2.821 34.061 38.147 1.00 65.24 C ATOM 1427 CG PRO A 88 1.427 33.811 37.637 1.00 64.24 C ATOM 1428 CD PRO A 88 1.638 33.483 36.201 1.00 61.72 C ATOM 1429 HA PRO A 88 4.669 33.431 37.117 1.00 0.00 H ATOM 1430 HD3 PRO A 88 0.800 32.915 35.796 1.00 0.00 H ATOM 1431 HD2 PRO A 88 1.786 34.384 35.606 1.00 0.00 H ATOM 1432 HG3 PRO A 88 0.806 34.700 37.747 1.00 0.00 H ATOM 1433 HG2 PRO A 88 0.962 32.977 38.164 1.00 0.00 H ATOM 1434 HB2 PRO A 88 2.872 33.899 39.224 1.00 0.00 H ATOM 1435 HB3 PRO A 88 3.139 35.078 37.918 1.00 0.00 H ATOM 1436 N THR A 89 5.228 31.629 38.650 1.00 59.82 N ATOM 1437 CA THR A 89 5.627 30.465 39.433 1.00 54.60 C ATOM 1438 C THR A 89 4.969 30.442 40.811 1.00 53.06 C ATOM 1439 O THR A 89 4.997 29.425 41.503 1.00 50.13 O ATOM 1440 CB THR A 89 7.154 30.423 39.611 1.00 58.25 C ATOM 1441 OG1 THR A 89 7.620 31.703 40.055 1.00 61.77 O ATOM 1442 CG2 THR A 89 7.837 30.069 38.295 1.00 57.27 C ATOM 1443 HA THR A 89 5.293 29.590 38.876 1.00 0.00 H ATOM 1444 HB THR A 89 7.397 29.661 40.352 1.00 0.00 H ATOM 1445 HG1 THR A 89 8.603 31.674 40.169 1.00 0.00 H ATOM 1446 HG23 THR A 89 7.484 29.095 37.955 1.00 0.00 H ATOM 1447 HG21 THR A 89 7.597 30.825 37.548 1.00 0.00 H ATOM 1448 HG22 THR A 89 8.916 30.034 38.445 1.00 0.00 H ATOM 1449 H THR A 89 5.950 32.324 38.372 1.00 0.00 H ATOM 1450 N SER A 90 4.379 31.565 41.208 1.00 58.77 N ATOM 1451 CA SER A 90 3.748 31.671 42.521 1.00 61.45 C ATOM 1452 C SER A 90 2.348 31.061 42.520 1.00 59.14 C ATOM 1453 O SER A 90 1.875 30.571 43.548 1.00 57.89 O ATOM 1454 CB SER A 90 3.687 33.134 42.968 1.00 58.90 C ATOM 1455 OG SER A 90 3.063 33.946 41.988 1.00 62.10 O ATOM 1456 HA SER A 90 4.358 31.109 43.228 1.00 0.00 H ATOM 1457 HB2 SER A 90 4.701 33.497 43.137 1.00 0.00 H ATOM 1458 HB3 SER A 90 3.120 33.199 43.897 1.00 0.00 H ATOM 1459 HG SER A 90 3.039 34.884 42.305 1.00 0.00 H ATOM 1460 H SER A 90 4.366 32.386 40.570 1.00 0.00 H ATOM 1461 N ALA A 91 1.691 31.094 41.365 1.00 55.91 N ATOM 1462 CA ALA A 91 0.350 30.534 41.227 1.00 56.07 C ATOM 1463 C ALA A 91 0.359 29.037 41.502 1.00 47.57 C ATOM 1464 O ALA A 91 1.385 28.382 41.363 1.00 50.15 O ATOM 1465 CB ALA A 91 -0.192 30.806 39.833 1.00 56.98 C ATOM 1466 HA ALA A 91 -0.298 31.015 41.960 1.00 0.00 H ATOM 1467 HB1 ALA A 91 -0.235 31.882 39.665 1.00 0.00 H ATOM 1468 HB2 ALA A 91 0.464 30.348 39.093 1.00 0.00 H ATOM 1469 HB3 ALA A 91 -1.193 30.383 39.745 1.00 0.00 H ATOM 1470 H ALA A 91 2.145 31.531 40.537 1.00 0.00 H ATOM 1471 N THR A 92 -0.788 28.498 41.898 1.00 49.57 N ATOM 1472 CA THR A 92 -0.906 27.066 42.132 1.00 48.15 C ATOM 1473 C THR A 92 -1.544 26.421 40.903 1.00 45.11 C ATOM 1474 O THR A 92 -1.996 27.118 39.998 1.00 44.26 O ATOM 1475 CB THR A 92 -1.727 26.772 43.410 1.00 49.66 C ATOM 1476 OG1 THR A 92 -1.479 25.434 43.856 1.00 51.83 O ATOM 1477 CG2 THR A 92 -3.199 26.952 43.159 1.00 49.41 C ATOM 1478 HA THR A 92 0.085 26.641 42.291 1.00 0.00 H ATOM 1479 HB THR A 92 -1.416 27.478 44.180 1.00 0.00 H ATOM 1480 HG1 THR A 92 -1.742 24.797 43.146 1.00 0.00 H ATOM 1481 HG23 THR A 92 -3.387 27.971 42.820 1.00 0.00 H ATOM 1482 HG21 THR A 92 -3.525 26.247 42.394 1.00 0.00 H ATOM 1483 HG22 THR A 92 -3.749 26.768 44.082 1.00 0.00 H ATOM 1484 H THR A 92 -1.617 29.109 42.044 1.00 0.00 H ATOM 1485 N MET A 93 -1.563 25.094 40.860 1.00 43.03 N ATOM 1486 CA MET A 93 -2.106 24.383 39.711 1.00 43.57 C ATOM 1487 C MET A 93 -3.626 24.429 39.735 1.00 39.41 C ATOM 1488 O MET A 93 -4.272 24.376 38.693 1.00 40.38 O ATOM 1489 CB MET A 93 -1.622 22.934 39.700 1.00 39.78 C ATOM 1490 CG MET A 93 -0.118 22.784 39.542 1.00 41.09 C ATOM 1491 SD MET A 93 0.444 22.840 37.828 1.00 48.94 S ATOM 1492 CE MET A 93 0.392 24.593 37.481 1.00 46.74 C ATOM 1493 HA MET A 93 -1.753 24.872 38.803 1.00 0.00 H ATOM 1494 HB2 MET A 93 -1.916 22.467 40.640 1.00 0.00 H ATOM 1495 HB3 MET A 93 -2.107 22.417 38.872 1.00 0.00 H ATOM 1496 HG2 MET A 93 0.179 21.827 39.970 1.00 0.00 H ATOM 1497 HG3 MET A 93 0.368 23.592 40.090 1.00 0.00 H ATOM 1498 HE1 MET A 93 -0.627 24.958 37.610 1.00 0.00 H ATOM 1499 HE2 MET A 93 1.057 25.118 38.167 1.00 0.00 H ATOM 1500 HE3 MET A 93 0.715 24.769 36.455 1.00 0.00 H ATOM 1501 H MET A 93 -1.183 24.552 41.662 1.00 0.00 H ATOM 1502 N GLY A 94 -4.191 24.530 40.933 1.00 43.37 N ATOM 1503 CA GLY A 94 -5.630 24.629 41.096 1.00 42.95 C ATOM 1504 C GLY A 94 -6.166 25.966 40.622 1.00 39.34 C ATOM 1505 O GLY A 94 -7.243 26.035 40.039 1.00 38.76 O ATOM 1506 HA3 GLY A 94 -5.874 24.506 42.151 1.00 0.00 H ATOM 1507 HA2 GLY A 94 -6.105 23.835 40.520 1.00 0.00 H ATOM 1508 H GLY A 94 -3.585 24.538 41.778 1.00 0.00 H ATOM 1509 N GLN A 95 -5.407 27.029 40.876 1.00 43.18 N ATOM 1510 CA GLN A 95 -5.781 28.372 40.450 1.00 42.32 C ATOM 1511 C GLN A 95 -5.562 28.504 38.952 1.00 42.62 C ATOM 1512 O GLN A 95 -6.328 29.165 38.252 1.00 42.97 O ATOM 1513 CB GLN A 95 -4.941 29.421 41.184 1.00 46.57 C ATOM 1514 CG GLN A 95 -5.175 29.484 42.683 1.00 51.60 C ATOM 1515 CD GLN A 95 -4.057 30.212 43.413 1.00 60.46 C ATOM 1516 OE1 GLN A 95 -3.344 31.026 42.823 1.00 55.40 O ATOM 1517 NE2 GLN A 95 -3.896 29.918 44.700 1.00 55.68 N ATOM 1518 HA GLN A 95 -6.832 28.537 40.687 1.00 0.00 H ATOM 1519 HB2 GLN A 95 -3.889 29.194 41.013 1.00 0.00 H ATOM 1520 HB3 GLN A 95 -5.174 30.399 40.762 1.00 0.00 H ATOM 1521 HG2 GLN A 95 -6.114 30.006 42.870 1.00 0.00 H ATOM 1522 HG3 GLN A 95 -5.243 28.467 43.070 1.00 0.00 H ATOM 1523 HE22 GLN A 95 -4.522 29.224 45.157 1.00 0.00 H ATOM 1524 HE21 GLN A 95 -3.145 30.382 45.249 1.00 0.00 H ATOM 1525 H GLN A 95 -4.516 26.897 41.396 1.00 0.00 H ATOM 1526 N LEU A 96 -4.502 27.866 38.469 1.00 42.21 N ATOM 1527 CA LEU A 96 -4.183 27.877 37.051 1.00 43.71 C ATOM 1528 C LEU A 96 -5.262 27.132 36.275 1.00 40.13 C ATOM 1529 O LEU A 96 -5.676 27.562 35.203 1.00 40.72 O ATOM 1530 CB LEU A 96 -2.819 27.228 36.808 1.00 43.16 C ATOM 1531 CG LEU A 96 -2.139 27.636 35.502 1.00 43.60 C ATOM 1532 CD1 LEU A 96 -1.748 29.102 35.555 1.00 49.24 C ATOM 1533 CD2 LEU A 96 -0.922 26.769 35.228 1.00 47.95 C ATOM 1534 HA LEU A 96 -4.142 28.910 36.706 1.00 0.00 H ATOM 1535 HB2 LEU A 96 -2.161 27.501 37.633 1.00 0.00 H ATOM 1536 HB3 LEU A 96 -2.955 26.147 36.796 1.00 0.00 H ATOM 1537 HG LEU A 96 -2.846 27.489 34.685 1.00 0.00 H ATOM 1538 HD21 LEU A 96 -0.208 26.879 36.044 1.00 0.00 H ATOM 1539 HD22 LEU A 96 -1.230 25.726 35.152 1.00 0.00 H ATOM 1540 HD23 LEU A 96 -0.458 27.082 34.293 1.00 0.00 H ATOM 1541 HD11 LEU A 96 -2.641 29.710 35.700 1.00 0.00 H ATOM 1542 HD12 LEU A 96 -1.059 29.263 36.384 1.00 0.00 H ATOM 1543 HD13 LEU A 96 -1.264 29.382 34.619 1.00 0.00 H ATOM 1544 H LEU A 96 -3.884 27.345 39.123 1.00 0.00 H ATOM 1545 N TYR A 97 -5.718 26.012 36.827 1.00 39.61 N ATOM 1546 CA TYR A 97 -6.767 25.228 36.194 1.00 38.76 C ATOM 1547 C TYR A 97 -8.068 26.020 36.178 1.00 36.32 C ATOM 1548 O TYR A 97 -8.723 26.133 35.149 1.00 34.35 O ATOM 1549 CB TYR A 97 -6.977 23.898 36.923 1.00 34.45 C ATOM 1550 CG TYR A 97 -8.123 23.087 36.358 1.00 35.94 C ATOM 1551 CD1 TYR A 97 -9.420 23.256 36.829 1.00 33.56 C ATOM 1552 CD2 TYR A 97 -7.911 22.166 35.340 1.00 34.09 C ATOM 1553 CE1 TYR A 97 -10.472 22.525 36.306 1.00 29.64 C ATOM 1554 CE2 TYR A 97 -8.955 21.430 34.814 1.00 33.77 C ATOM 1555 CZ TYR A 97 -10.234 21.615 35.301 1.00 32.16 C ATOM 1556 OH TYR A 97 -11.276 20.884 34.776 1.00 32.42 O ATOM 1557 HA TYR A 97 -6.460 25.012 35.171 1.00 0.00 H ATOM 1558 HB3 TYR A 97 -7.183 24.106 37.973 1.00 0.00 H ATOM 1559 HB2 TYR A 97 -6.063 23.310 36.843 1.00 0.00 H ATOM 1560 HD2 TYR A 97 -6.904 22.022 34.950 1.00 0.00 H ATOM 1561 HE2 TYR A 97 -8.770 20.707 34.019 1.00 0.00 H ATOM 1562 HE1 TYR A 97 -11.483 22.669 36.687 1.00 0.00 H ATOM 1563 HD1 TYR A 97 -9.612 23.977 37.624 1.00 0.00 H ATOM 1564 HH TYR A 97 -11.355 21.073 33.807 1.00 0.00 H ATOM 1565 H TYR A 97 -5.316 25.690 37.730 1.00 0.00 H ATOM 1566 N GLN A 98 -8.434 26.569 37.329 1.00 36.58 N ATOM 1567 CA GLN A 98 -9.652 27.356 37.443 1.00 40.62 C ATOM 1568 C GLN A 98 -9.650 28.470 36.409 1.00 40.81 C ATOM 1569 O GLN A 98 -10.654 28.725 35.745 1.00 40.60 O ATOM 1570 CB GLN A 98 -9.763 27.959 38.846 1.00 39.61 C ATOM 1571 CG GLN A 98 -10.962 28.876 39.028 1.00 47.12 C ATOM 1572 CD GLN A 98 -10.959 29.588 40.370 1.00 49.80 C ATOM 1573 OE1 GLN A 98 -10.560 29.022 41.389 1.00 55.09 O ATOM 1574 NE2 GLN A 98 -11.409 30.838 40.374 1.00 45.40 N ATOM 1575 HA GLN A 98 -10.507 26.703 37.267 1.00 0.00 H ATOM 1576 HB2 GLN A 98 -9.841 27.144 39.565 1.00 0.00 H ATOM 1577 HB3 GLN A 98 -8.858 28.533 39.046 1.00 0.00 H ATOM 1578 HG2 GLN A 98 -10.952 29.625 38.236 1.00 0.00 H ATOM 1579 HG3 GLN A 98 -11.872 28.280 38.951 1.00 0.00 H ATOM 1580 HE22 GLN A 98 -11.736 31.276 39.489 1.00 0.00 H ATOM 1581 HE21 GLN A 98 -11.434 31.379 41.262 1.00 0.00 H ATOM 1582 H GLN A 98 -7.836 26.434 38.169 1.00 0.00 H ATOM 1583 N GLU A 99 -8.499 29.115 36.267 1.00 40.81 N ATOM 1584 CA GLU A 99 -8.385 30.339 35.490 1.00 42.27 C ATOM 1585 C GLU A 99 -8.112 30.090 34.005 1.00 45.55 C ATOM 1586 O GLU A 99 -8.361 30.966 33.177 1.00 49.62 O ATOM 1587 CB GLU A 99 -7.271 31.206 36.083 1.00 46.76 C ATOM 1588 CG GLU A 99 -7.058 32.542 35.391 1.00 51.98 C ATOM 1589 CD GLU A 99 -5.840 33.277 35.921 1.00 52.13 C ATOM 1590 OE1 GLU A 99 -5.286 32.842 36.953 1.00 53.02 O ATOM 1591 OE2 GLU A 99 -5.435 34.286 35.305 1.00 53.70 O ATOM 1592 HA GLU A 99 -9.347 30.848 35.547 1.00 0.00 H ATOM 1593 HB2 GLU A 99 -7.514 31.401 37.127 1.00 0.00 H ATOM 1594 HB3 GLU A 99 -6.339 30.644 36.027 1.00 0.00 H ATOM 1595 HG2 GLU A 99 -6.925 32.367 34.323 1.00 0.00 H ATOM 1596 HG3 GLU A 99 -7.939 33.164 35.549 1.00 0.00 H ATOM 1597 H GLU A 99 -7.649 28.732 36.727 1.00 0.00 H ATOM 1598 N HIS A 100 -7.617 28.903 33.662 1.00 42.09 N ATOM 1599 CA HIS A 100 -7.121 28.662 32.306 1.00 42.43 C ATOM 1600 C HIS A 100 -7.556 27.343 31.665 1.00 38.92 C ATOM 1601 O HIS A 100 -7.113 27.019 30.566 1.00 39.68 O ATOM 1602 CB HIS A 100 -5.592 28.722 32.298 1.00 45.58 C ATOM 1603 CG HIS A 100 -5.040 30.097 32.505 1.00 44.43 C ATOM 1604 ND1 HIS A 100 -5.161 31.093 31.562 1.00 47.87 N ATOM 1605 CD2 HIS A 100 -4.354 30.636 33.539 1.00 47.92 C ATOM 1606 CE1 HIS A 100 -4.579 32.193 32.009 1.00 52.89 C ATOM 1607 NE2 HIS A 100 -4.081 31.941 33.207 1.00 53.88 N ATOM 1608 HA HIS A 100 -7.572 29.451 31.704 1.00 0.00 H ATOM 1609 HB2 HIS A 100 -5.218 28.078 33.094 1.00 0.00 H ATOM 1610 HB3 HIS A 100 -5.238 28.351 31.336 1.00 0.00 H ATOM 1611 HD2 HIS A 100 -4.071 30.130 34.462 1.00 0.00 H ATOM 1612 HE1 HIS A 100 -4.520 33.144 31.480 1.00 0.00 H ATOM 1613 H HIS A 100 -7.582 28.138 34.366 1.00 0.00 H ATOM 1614 N HIS A 101 -8.410 26.578 32.334 1.00 37.13 N ATOM 1615 CA HIS A 101 -8.823 25.293 31.789 1.00 33.50 C ATOM 1616 C HIS A 101 -9.648 25.500 30.533 1.00 32.82 C ATOM 1617 O HIS A 101 -10.467 26.413 30.453 1.00 33.94 O ATOM 1618 CB HIS A 101 -9.632 24.487 32.807 1.00 30.68 C ATOM 1619 CG HIS A 101 -10.928 25.130 33.194 1.00 35.79 C ATOM 1620 ND1 HIS A 101 -11.050 25.957 34.290 1.00 34.44 N ATOM 1621 CD2 HIS A 101 -12.157 25.066 32.633 1.00 34.43 C ATOM 1622 CE1 HIS A 101 -12.298 26.375 34.387 1.00 34.35 C ATOM 1623 NE2 HIS A 101 -12.992 25.849 33.395 1.00 32.40 N ATOM 1624 HA HIS A 101 -7.921 24.730 31.547 1.00 0.00 H ATOM 1625 HB2 HIS A 101 -9.848 23.509 32.378 1.00 0.00 H ATOM 1626 HB3 HIS A 101 -9.028 24.363 33.706 1.00 0.00 H ATOM 1627 HD2 HIS A 101 -12.434 24.500 31.744 1.00 0.00 H ATOM 1628 HE1 HIS A 101 -12.689 27.041 35.156 1.00 0.00 H ATOM 1629 H HIS A 101 -8.785 26.898 33.250 1.00 0.00 H ATOM 1630 N GLU A 102 -9.410 24.651 29.544 1.00 34.45 N ATOM 1631 CA GLU A 102 -10.239 24.613 28.354 1.00 32.62 C ATOM 1632 C GLU A 102 -11.550 23.937 28.732 1.00 37.12 C ATOM 1633 O GLU A 102 -11.638 23.287 29.775 1.00 35.03 O ATOM 1634 CB GLU A 102 -9.524 23.845 27.246 1.00 34.57 C ATOM 1635 CG GLU A 102 -9.822 24.343 25.851 1.00 42.90 C ATOM 1636 CD GLU A 102 -8.649 24.152 24.910 1.00 42.41 C ATOM 1637 OE1 GLU A 102 -7.576 24.739 25.171 1.00 40.08 O ATOM 1638 OE2 GLU A 102 -8.800 23.421 23.906 1.00 45.57 O ATOM 1639 HA GLU A 102 -10.434 25.618 27.980 1.00 0.00 H ATOM 1640 HB2 GLU A 102 -8.450 23.923 27.414 1.00 0.00 H ATOM 1641 HB3 GLU A 102 -9.825 22.799 27.307 1.00 0.00 H ATOM 1642 HG2 GLU A 102 -10.679 23.796 25.459 1.00 0.00 H ATOM 1643 HG3 GLU A 102 -10.062 25.405 25.901 1.00 0.00 H ATOM 1644 H GLU A 102 -8.607 23.994 29.623 1.00 0.00 H ATOM 1645 N GLU A 103 -12.569 24.083 27.895 1.00 34.73 N ATOM 1646 CA GLU A 103 -13.902 23.622 28.265 1.00 33.74 C ATOM 1647 C GLU A 103 -14.110 22.142 27.961 1.00 33.77 C ATOM 1648 O GLU A 103 -15.240 21.658 27.920 1.00 33.90 O ATOM 1649 CB GLU A 103 -14.972 24.488 27.597 1.00 34.57 C ATOM 1650 CG GLU A 103 -14.834 25.968 27.939 1.00 32.70 C ATOM 1651 CD GLU A 103 -14.696 26.213 29.436 1.00 35.77 C ATOM 1652 OE1 GLU A 103 -15.384 25.525 30.218 1.00 32.76 O ATOM 1653 OE2 GLU A 103 -13.900 27.094 29.833 1.00 37.23 O ATOM 1654 HA GLU A 103 -13.997 23.729 29.346 1.00 0.00 H ATOM 1655 HB2 GLU A 103 -14.890 24.371 26.516 1.00 0.00 H ATOM 1656 HB3 GLU A 103 -15.953 24.145 27.925 1.00 0.00 H ATOM 1657 HG2 GLU A 103 -13.950 26.361 27.438 1.00 0.00 H ATOM 1658 HG3 GLU A 103 -15.718 26.494 27.579 1.00 0.00 H ATOM 1659 H GLU A 103 -12.416 24.529 26.968 1.00 0.00 H ATOM 1660 N ASP A 104 -13.009 21.428 27.750 1.00 32.82 N ATOM 1661 CA ASP A 104 -13.028 19.970 27.793 1.00 34.25 C ATOM 1662 C ASP A 104 -12.605 19.507 29.190 1.00 30.43 C ATOM 1663 O ASP A 104 -12.409 18.316 29.436 1.00 32.15 O ATOM 1664 CB ASP A 104 -12.116 19.371 26.715 1.00 37.08 C ATOM 1665 CG ASP A 104 -10.703 19.935 26.754 1.00 32.83 C ATOM 1666 OD1 ASP A 104 -10.314 20.536 27.771 1.00 27.81 O ATOM 1667 OD2 ASP A 104 -9.976 19.776 25.756 1.00 36.54 O ATOM 1668 HA ASP A 104 -14.039 19.619 27.587 1.00 0.00 H ATOM 1669 HB2 ASP A 104 -12.064 18.292 26.863 1.00 0.00 H ATOM 1670 HB3 ASP A 104 -12.548 19.582 25.737 1.00 0.00 H ATOM 1671 H ASP A 104 -12.115 21.919 27.550 1.00 0.00 H ATOM 1672 N PHE A 105 -12.473 20.477 30.094 1.00 30.98 N ATOM 1673 CA PHE A 105 -12.092 20.247 31.491 1.00 32.40 C ATOM 1674 C PHE A 105 -10.617 19.872 31.680 1.00 29.21 C ATOM 1675 O PHE A 105 -10.212 19.468 32.769 1.00 30.56 O ATOM 1676 CB PHE A 105 -13.013 19.208 32.141 1.00 32.04 C ATOM 1677 CG PHE A 105 -14.448 19.643 32.207 1.00 31.89 C ATOM 1678 CD1 PHE A 105 -14.816 20.734 32.976 1.00 37.06 C ATOM 1679 CD2 PHE A 105 -15.427 18.975 31.488 1.00 36.31 C ATOM 1680 CE1 PHE A 105 -16.135 21.148 33.034 1.00 38.62 C ATOM 1681 CE2 PHE A 105 -16.749 19.386 31.543 1.00 34.33 C ATOM 1682 CZ PHE A 105 -17.101 20.472 32.317 1.00 33.34 C ATOM 1683 HA PHE A 105 -12.218 21.204 31.998 1.00 0.00 H ATOM 1684 HB2 PHE A 105 -12.957 18.286 31.562 1.00 0.00 H ATOM 1685 HB3 PHE A 105 -12.661 19.020 33.156 1.00 0.00 H ATOM 1686 HD2 PHE A 105 -15.154 18.118 30.873 1.00 0.00 H ATOM 1687 HE2 PHE A 105 -17.510 18.851 30.975 1.00 0.00 H ATOM 1688 HZ PHE A 105 -18.141 20.796 32.362 1.00 0.00 H ATOM 1689 HE1 PHE A 105 -16.411 22.007 33.645 1.00 0.00 H ATOM 1690 HD1 PHE A 105 -14.057 21.273 33.543 1.00 0.00 H ATOM 1691 H PHE A 105 -12.651 21.456 29.790 1.00 0.00 H ATOM 1692 N PHE A 106 -9.820 20.031 30.627 1.00 28.99 N ATOM 1693 CA PHE A 106 -8.373 19.838 30.715 1.00 30.14 C ATOM 1694 C PHE A 106 -7.641 21.174 30.716 1.00 30.81 C ATOM 1695 O PHE A 106 -8.106 22.153 30.136 1.00 31.23 O ATOM 1696 CB PHE A 106 -7.851 19.001 29.545 1.00 28.11 C ATOM 1697 CG PHE A 106 -8.431 17.625 29.473 1.00 28.24 C ATOM 1698 CD1 PHE A 106 -8.660 16.891 30.622 1.00 32.75 C ATOM 1699 CD2 PHE A 106 -8.725 17.054 28.252 1.00 32.97 C ATOM 1700 CE1 PHE A 106 -9.194 15.619 30.551 1.00 36.92 C ATOM 1701 CE2 PHE A 106 -9.254 15.784 28.172 1.00 32.73 C ATOM 1702 CZ PHE A 106 -9.489 15.066 29.321 1.00 34.51 C ATOM 1703 HA PHE A 106 -8.182 19.313 31.651 1.00 0.00 H ATOM 1704 HB2 PHE A 106 -8.089 19.522 28.618 1.00 0.00 H ATOM 1705 HB3 PHE A 106 -6.769 18.912 29.643 1.00 0.00 H ATOM 1706 HD2 PHE A 106 -8.536 17.616 27.337 1.00 0.00 H ATOM 1707 HE2 PHE A 106 -9.486 15.349 27.200 1.00 0.00 H ATOM 1708 HZ PHE A 106 -9.908 14.061 29.261 1.00 0.00 H ATOM 1709 HE1 PHE A 106 -9.382 15.053 31.464 1.00 0.00 H ATOM 1710 HD1 PHE A 106 -8.417 17.320 31.594 1.00 0.00 H ATOM 1711 H PHE A 106 -10.238 20.301 29.714 1.00 0.00 H ATOM 1712 N LEU A 107 -6.485 21.198 31.369 1.00 32.53 N ATOM 1713 CA LEU A 107 -5.598 22.353 31.345 1.00 32.26 C ATOM 1714 C LEU A 107 -4.480 22.062 30.353 1.00 30.41 C ATOM 1715 O LEU A 107 -3.897 20.986 30.381 1.00 28.02 O ATOM 1716 CB LEU A 107 -5.020 22.601 32.739 1.00 29.63 C ATOM 1717 CG LEU A 107 -3.980 23.715 32.860 1.00 34.80 C ATOM 1718 CD1 LEU A 107 -4.579 25.043 32.451 1.00 33.53 C ATOM 1719 CD2 LEU A 107 -3.437 23.784 34.281 1.00 38.56 C ATOM 1720 HA LEU A 107 -6.145 23.247 31.044 1.00 0.00 H ATOM 1721 HB2 LEU A 107 -5.849 22.849 33.402 1.00 0.00 H ATOM 1722 HB3 LEU A 107 -4.553 21.675 33.073 1.00 0.00 H ATOM 1723 HG LEU A 107 -3.152 23.491 32.188 1.00 0.00 H ATOM 1724 HD21 LEU A 107 -4.256 23.986 34.972 1.00 0.00 H ATOM 1725 HD22 LEU A 107 -2.970 22.833 34.537 1.00 0.00 H ATOM 1726 HD23 LEU A 107 -2.698 24.583 34.348 1.00 0.00 H ATOM 1727 HD11 LEU A 107 -4.918 24.984 31.417 1.00 0.00 H ATOM 1728 HD12 LEU A 107 -5.424 25.274 33.099 1.00 0.00 H ATOM 1729 HD13 LEU A 107 -3.825 25.824 32.543 1.00 0.00 H ATOM 1730 H LEU A 107 -6.203 20.361 31.918 1.00 0.00 H ATOM 1731 N TYR A 108 -4.184 23.015 29.476 1.00 29.00 N ATOM 1732 CA TYR A 108 -3.181 22.801 28.437 1.00 33.11 C ATOM 1733 C TYR A 108 -1.941 23.661 28.651 1.00 30.89 C ATOM 1734 O TYR A 108 -2.012 24.888 28.672 1.00 33.87 O ATOM 1735 CB TYR A 108 -3.778 23.065 27.049 1.00 33.49 C ATOM 1736 CG TYR A 108 -4.763 22.007 26.607 1.00 34.13 C ATOM 1737 CD1 TYR A 108 -6.108 22.103 26.937 1.00 34.30 C ATOM 1738 CD2 TYR A 108 -4.347 20.910 25.869 1.00 32.88 C ATOM 1739 CE1 TYR A 108 -7.010 21.138 26.539 1.00 32.84 C ATOM 1740 CE2 TYR A 108 -5.239 19.939 25.469 1.00 31.43 C ATOM 1741 CZ TYR A 108 -6.571 20.059 25.809 1.00 31.54 C ATOM 1742 OH TYR A 108 -7.472 19.100 25.418 1.00 29.78 O ATOM 1743 HA TYR A 108 -2.871 21.758 28.499 1.00 0.00 H ATOM 1744 HB3 TYR A 108 -2.964 23.104 26.325 1.00 0.00 H ATOM 1745 HB2 TYR A 108 -4.290 24.027 27.070 1.00 0.00 H ATOM 1746 HD2 TYR A 108 -3.295 20.814 25.600 1.00 0.00 H ATOM 1747 HE2 TYR A 108 -4.895 19.083 24.889 1.00 0.00 H ATOM 1748 HE1 TYR A 108 -8.064 21.230 26.802 1.00 0.00 H ATOM 1749 HD1 TYR A 108 -6.457 22.955 27.520 1.00 0.00 H ATOM 1750 HH TYR A 108 -8.374 19.343 25.745 1.00 0.00 H ATOM 1751 H TYR A 108 -4.676 23.930 29.531 1.00 0.00 H ATOM 1752 N ILE A 109 -0.801 22.998 28.803 1.00 30.68 N ATOM 1753 CA ILE A 109 0.470 23.681 28.987 1.00 32.10 C ATOM 1754 C ILE A 109 1.478 23.258 27.929 1.00 31.72 C ATOM 1755 O ILE A 109 1.784 22.075 27.793 1.00 30.41 O ATOM 1756 CB ILE A 109 1.073 23.371 30.362 1.00 30.44 C ATOM 1757 CG1 ILE A 109 0.134 23.850 31.468 1.00 32.73 C ATOM 1758 CG2 ILE A 109 2.447 24.019 30.493 1.00 35.99 C ATOM 1759 CD1 ILE A 109 0.673 23.635 32.867 1.00 37.34 C ATOM 1760 HA ILE A 109 0.265 24.748 28.903 1.00 0.00 H ATOM 1761 HB ILE A 109 1.195 22.293 30.462 1.00 0.00 H ATOM 1762 HG12 ILE A 109 -0.045 24.916 31.329 1.00 0.00 H ATOM 1763 HG13 ILE A 109 -0.808 23.310 31.376 1.00 0.00 H ATOM 1764 HD11 ILE A 109 0.846 22.571 33.029 1.00 0.00 H ATOM 1765 HD12 ILE A 109 1.611 24.179 32.981 1.00 0.00 H ATOM 1766 HD13 ILE A 109 -0.052 24.001 33.594 1.00 0.00 H ATOM 1767 HG21 ILE A 109 3.107 23.629 29.718 1.00 0.00 H ATOM 1768 HG22 ILE A 109 2.350 25.099 30.381 1.00 0.00 H ATOM 1769 HG23 ILE A 109 2.863 23.790 31.474 1.00 0.00 H ATOM 1770 H ILE A 109 -0.817 21.958 28.790 1.00 0.00 H ATOM 1771 N ALA A 110 1.983 24.230 27.177 1.00 30.51 N ATOM 1772 CA ALA A 110 3.096 23.999 26.270 1.00 35.02 C ATOM 1773 C ALA A 110 4.396 24.372 26.973 1.00 36.69 C ATOM 1774 O ALA A 110 4.435 25.320 27.752 1.00 39.38 O ATOM 1775 CB ALA A 110 2.926 24.816 25.005 1.00 37.42 C ATOM 1776 HA ALA A 110 3.124 22.946 25.990 1.00 0.00 H ATOM 1777 HB1 ALA A 110 1.999 24.528 24.510 1.00 0.00 H ATOM 1778 HB2 ALA A 110 2.890 25.875 25.260 1.00 0.00 H ATOM 1779 HB3 ALA A 110 3.768 24.630 24.338 1.00 0.00 H ATOM 1780 H ALA A 110 1.571 25.183 27.239 1.00 0.00 H ATOM 1781 N TYR A 111 5.458 23.621 26.710 1.00 35.23 N ATOM 1782 CA TYR A 111 6.754 23.934 27.294 1.00 33.96 C ATOM 1783 C TYR A 111 7.773 24.189 26.199 1.00 34.57 C ATOM 1784 O TYR A 111 7.689 23.626 25.113 1.00 33.56 O ATOM 1785 CB TYR A 111 7.227 22.820 28.234 1.00 35.31 C ATOM 1786 CG TYR A 111 7.646 21.534 27.553 1.00 32.64 C ATOM 1787 CD1 TYR A 111 8.945 21.357 27.090 1.00 37.05 C ATOM 1788 CD2 TYR A 111 6.748 20.487 27.399 1.00 34.64 C ATOM 1789 CE1 TYR A 111 9.331 20.173 26.478 1.00 35.69 C ATOM 1790 CE2 TYR A 111 7.124 19.303 26.789 1.00 33.30 C ATOM 1791 CZ TYR A 111 8.415 19.151 26.333 1.00 33.38 C ATOM 1792 OH TYR A 111 8.785 17.974 25.727 1.00 34.39 O ATOM 1793 HA TYR A 111 6.649 24.840 27.891 1.00 0.00 H ATOM 1794 HB3 TYR A 111 6.412 22.588 28.919 1.00 0.00 H ATOM 1795 HB2 TYR A 111 8.080 23.195 28.799 1.00 0.00 H ATOM 1796 HD2 TYR A 111 5.728 20.599 27.765 1.00 0.00 H ATOM 1797 HE2 TYR A 111 6.402 18.495 26.670 1.00 0.00 H ATOM 1798 HE1 TYR A 111 10.351 20.051 26.114 1.00 0.00 H ATOM 1799 HD1 TYR A 111 9.671 22.161 27.210 1.00 0.00 H ATOM 1800 HH TYR A 111 9.737 18.027 25.460 1.00 0.00 H ATOM 1801 H TYR A 111 5.363 22.799 26.079 1.00 0.00 H ATOM 1802 N SER A 112 8.734 25.054 26.493 1.00 34.77 N ATOM 1803 CA SER A 112 9.731 25.449 25.513 1.00 35.89 C ATOM 1804 C SER A 112 11.038 25.773 26.222 1.00 30.91 C ATOM 1805 O SER A 112 11.066 25.930 27.436 1.00 29.45 O ATOM 1806 CB SER A 112 9.234 26.670 24.737 1.00 35.00 C ATOM 1807 OG SER A 112 9.988 26.882 23.557 1.00 36.27 O ATOM 1808 HA SER A 112 9.900 24.631 24.812 1.00 0.00 H ATOM 1809 HB2 SER A 112 9.317 27.551 25.373 1.00 0.00 H ATOM 1810 HB3 SER A 112 8.189 26.516 24.466 1.00 0.00 H ATOM 1811 HG SER A 112 9.639 27.678 23.082 1.00 0.00 H ATOM 1812 H SER A 112 8.775 25.460 27.450 1.00 0.00 H ATOM 1813 N ASP A 113 12.126 25.851 25.466 1.00 34.16 N ATOM 1814 CA ASP A 113 13.395 26.306 26.019 1.00 32.09 C ATOM 1815 C ASP A 113 13.526 27.816 25.820 1.00 31.77 C ATOM 1816 O ASP A 113 14.493 28.432 26.269 1.00 33.12 O ATOM 1817 CB ASP A 113 14.566 25.579 25.359 1.00 31.45 C ATOM 1818 CG ASP A 113 14.752 25.973 23.907 1.00 34.72 C ATOM 1819 OD1 ASP A 113 13.753 25.978 23.157 1.00 33.70 O ATOM 1820 OD2 ASP A 113 15.898 26.279 23.516 1.00 36.18 O ATOM 1821 HA ASP A 113 13.416 26.080 27.085 1.00 0.00 H ATOM 1822 HB2 ASP A 113 15.478 25.818 25.906 1.00 0.00 H ATOM 1823 HB3 ASP A 113 14.384 24.505 25.409 1.00 0.00 H ATOM 1824 H ASP A 113 12.072 25.583 24.463 1.00 0.00 H ATOM 1825 N GLU A 114 12.541 28.402 25.143 1.00 31.55 N ATOM 1826 CA GLU A 114 12.513 29.838 24.894 1.00 35.81 C ATOM 1827 C GLU A 114 11.386 30.511 25.693 1.00 39.52 C ATOM 1828 O GLU A 114 10.352 29.892 25.957 1.00 36.45 O ATOM 1829 CB GLU A 114 12.338 30.092 23.396 1.00 36.23 C ATOM 1830 CG GLU A 114 12.634 31.510 22.974 1.00 40.42 C ATOM 1831 CD GLU A 114 14.040 31.930 23.328 1.00 37.14 C ATOM 1832 OE1 GLU A 114 14.989 31.462 22.666 1.00 37.63 O ATOM 1833 OE2 GLU A 114 14.196 32.733 24.268 1.00 40.41 O ATOM 1834 HA GLU A 114 13.457 30.272 25.223 1.00 0.00 H ATOM 1835 HB2 GLU A 114 13.010 29.426 22.855 1.00 0.00 H ATOM 1836 HB3 GLU A 114 11.307 29.863 23.128 1.00 0.00 H ATOM 1837 HG2 GLU A 114 12.505 31.589 21.895 1.00 0.00 H ATOM 1838 HG3 GLU A 114 11.932 32.178 23.472 1.00 0.00 H ATOM 1839 H GLU A 114 11.764 27.815 24.779 1.00 0.00 H ATOM 1840 N SER A 115 11.589 31.774 26.072 1.00 39.03 N ATOM 1841 CA SER A 115 10.632 32.498 26.917 1.00 36.71 C ATOM 1842 C SER A 115 9.477 33.098 26.114 1.00 38.79 C ATOM 1843 O SER A 115 8.610 33.779 26.666 1.00 39.69 O ATOM 1844 CB SER A 115 11.340 33.604 27.715 1.00 36.92 C ATOM 1845 OG SER A 115 11.454 34.810 26.975 1.00 28.67 O ATOM 1846 HA SER A 115 10.209 31.766 27.605 1.00 0.00 H ATOM 1847 HB2 SER A 115 12.339 33.260 27.982 1.00 0.00 H ATOM 1848 HB3 SER A 115 10.770 33.802 28.623 1.00 0.00 H ATOM 1849 HG SER A 115 11.976 34.642 26.151 1.00 0.00 H ATOM 1850 H SER A 115 12.453 32.261 25.759 1.00 0.00 H ATOM 1851 N VAL A 116 9.476 32.842 24.811 1.00 40.98 N ATOM 1852 CA VAL A 116 8.415 33.312 23.929 1.00 41.12 C ATOM 1853 C VAL A 116 7.861 32.121 23.161 1.00 40.89 C ATOM 1854 O VAL A 116 8.622 31.325 22.614 1.00 37.07 O ATOM 1855 CB VAL A 116 8.939 34.361 22.934 1.00 39.25 C ATOM 1856 CG1 VAL A 116 7.824 34.826 22.017 1.00 41.32 C ATOM 1857 CG2 VAL A 116 9.548 35.540 23.678 1.00 37.75 C ATOM 1858 HA VAL A 116 7.637 33.779 24.533 1.00 0.00 H ATOM 1859 HB VAL A 116 9.716 33.902 22.323 1.00 0.00 H ATOM 1860 HG11 VAL A 116 7.433 33.974 21.461 1.00 0.00 H ATOM 1861 HG12 VAL A 116 7.026 35.269 22.613 1.00 0.00 H ATOM 1862 HG13 VAL A 116 8.214 35.568 21.320 1.00 0.00 H ATOM 1863 HG21 VAL A 116 8.789 35.999 24.312 1.00 0.00 H ATOM 1864 HG22 VAL A 116 10.376 35.190 24.295 1.00 0.00 H ATOM 1865 HG23 VAL A 116 9.914 36.272 22.958 1.00 0.00 H ATOM 1866 H VAL A 116 10.258 32.288 24.407 1.00 0.00 H ATOM 1867 N TYR A 117 6.537 31.998 23.120 1.00 45.36 N ATOM 1868 CA TYR A 117 5.903 30.822 22.532 1.00 42.33 C ATOM 1869 C TYR A 117 6.136 30.697 21.031 1.00 41.98 C ATOM 1870 O TYR A 117 5.862 31.624 20.267 1.00 41.51 O ATOM 1871 CB TYR A 117 4.399 30.825 22.799 1.00 47.03 C ATOM 1872 CG TYR A 117 3.705 29.627 22.198 1.00 47.35 C ATOM 1873 CD1 TYR A 117 3.671 28.413 22.871 1.00 47.21 C ATOM 1874 CD2 TYR A 117 3.106 29.701 20.948 1.00 47.73 C ATOM 1875 CE1 TYR A 117 3.049 27.312 22.323 1.00 46.23 C ATOM 1876 CE2 TYR A 117 2.481 28.603 20.393 1.00 51.69 C ATOM 1877 CZ TYR A 117 2.456 27.412 21.085 1.00 46.64 C ATOM 1878 OH TYR A 117 1.837 26.313 20.540 1.00 50.67 O ATOM 1879 HA TYR A 117 6.373 29.964 23.013 1.00 0.00 H ATOM 1880 HB3 TYR A 117 3.969 31.730 22.371 1.00 0.00 H ATOM 1881 HB2 TYR A 117 4.235 30.821 23.877 1.00 0.00 H ATOM 1882 HD2 TYR A 117 3.130 30.641 20.396 1.00 0.00 H ATOM 1883 HE2 TYR A 117 2.010 28.678 19.413 1.00 0.00 H ATOM 1884 HE1 TYR A 117 3.027 26.368 22.867 1.00 0.00 H ATOM 1885 HD1 TYR A 117 4.144 28.329 23.849 1.00 0.00 H ATOM 1886 HH TYR A 117 1.912 25.549 21.165 1.00 0.00 H ATOM 1887 H TYR A 117 5.942 32.754 23.515 1.00 0.00 H ATOM 1888 N GLY A 118 6.630 29.535 20.615 1.00 41.55 N ATOM 1889 CA GLY A 118 6.777 29.226 19.204 1.00 42.04 C ATOM 1890 C GLY A 118 7.967 29.894 18.542 1.00 36.61 C ATOM 1891 O GLY A 118 8.063 29.925 17.315 1.00 42.78 O ATOM 1892 HA3 GLY A 118 5.873 29.548 18.687 1.00 0.00 H ATOM 1893 HA2 GLY A 118 6.889 28.147 19.100 1.00 0.00 H ATOM 1894 H GLY A 118 6.919 28.827 21.320 1.00 0.00 H ATOM 1895 N LEU A 119 8.879 30.425 19.348 1.00 35.68 N ATOM 1896 CA LEU A 119 10.058 31.098 18.818 1.00 41.60 C ATOM 1897 C LEU A 119 11.202 30.103 18.700 1.00 37.90 C ATOM 1898 O LEU A 119 11.430 29.328 19.622 1.00 32.76 O ATOM 1899 CB LEU A 119 10.465 32.264 19.723 1.00 40.24 C ATOM 1900 CG LEU A 119 11.573 33.182 19.200 1.00 42.30 C ATOM 1901 CD1 LEU A 119 11.167 33.833 17.885 1.00 38.98 C ATOM 1902 CD2 LEU A 119 11.922 34.240 20.235 1.00 37.07 C ATOM 1903 HA LEU A 119 9.823 31.497 17.831 1.00 0.00 H ATOM 1904 OXT LEU A 119 11.910 30.046 17.693 1.00 38.70 O ATOM 1905 HB2 LEU A 119 9.580 32.877 19.892 1.00 0.00 H ATOM 1906 HB3 LEU A 119 10.802 31.845 20.671 1.00 0.00 H ATOM 1907 HG LEU A 119 12.458 32.573 19.016 1.00 0.00 H ATOM 1908 HD21 LEU A 119 11.038 34.840 20.452 1.00 0.00 H ATOM 1909 HD22 LEU A 119 12.266 33.754 21.148 1.00 0.00 H ATOM 1910 HD23 LEU A 119 12.711 34.882 19.844 1.00 0.00 H ATOM 1911 HD11 LEU A 119 10.974 33.059 17.142 1.00 0.00 H ATOM 1912 HD12 LEU A 119 10.265 34.425 18.038 1.00 0.00 H ATOM 1913 HD13 LEU A 119 11.973 34.479 17.537 1.00 0.00 H ATOM 1914 H LEU A 119 8.749 30.359 20.378 1.00 0.00 H TER 1915 LEU A 119 HETATM 1916 ZN ZN A 1 -14.952 26.139 32.419 1.00 31.50 ZN HETATM 1917 O HOH 2 1.407 23.959 21.971 1.00 44.32 O HETATM 1918 O HOH 3 -17.817 24.620 30.258 1.00 31.11 O HETATM 1919 O HOH 4 13.472 34.864 25.309 1.00 32.50 O HETATM 1920 O HOH 5 6.785 31.081 34.935 1.00 48.21 O HETATM 1921 O HOH 6 9.500 27.879 21.055 1.00 36.36 O HETATM 1922 O HOH 7 21.390 22.391 24.931 1.00 42.32 O HETATM 1923 O HOH 8 18.639 19.312 34.372 1.00 38.19 O HETATM 1924 O HOH 9 16.870 16.548 27.202 1.00 33.93 O HETATM 1925 O HOH 10 -5.982 25.270 28.819 1.00 34.35 O HETATM 1926 O HOH 11 8.002 21.367 18.626 1.00 34.61 O HETATM 1927 O HOH 12 16.645 19.299 26.888 1.00 38.93 O HETATM 1928 O HOH 13 -2.949 26.654 26.892 1.00 44.58 O HETATM 1929 O HOH 14 -21.949 15.457 30.652 1.00 46.19 O HETATM 1930 O HOH 15 19.721 23.590 32.461 1.00 38.52 O HETATM 1931 O HOH 16 19.886 27.611 30.902 1.00 47.32 O HETATM 1932 O HOH 17 -5.501 26.276 26.038 1.00 46.37 O HETATM 1933 O HOH 18 -4.739 8.822 22.575 1.00 55.03 O HETATM 1934 O HOH 19 7.738 11.550 22.386 1.00 48.84 O HETATM 1935 O HOH 20 -0.552 9.941 18.174 1.00 55.73 O HETATM 1936 O HOH 21 5.728 9.792 22.073 1.00 48.24 O HETATM 1937 O HOH 22 5.174 34.380 25.121 1.00 43.95 O HETATM 1938 O HOH 23 19.604 19.201 16.088 1.00 42.01 O HETATM 1939 O HOH 24 -10.756 28.795 31.943 1.00 37.31 O HETATM 1940 O HOH 25 4.519 15.917 25.235 1.00 39.31 O HETATM 1941 O HOH 26 -7.610 6.792 36.032 1.00 60.86 O HETATM 1942 O HOH 27 16.157 13.928 36.175 1.00 47.28 O HETATM 1943 O HOH 28 -19.808 23.669 31.766 1.00 37.58 O HETATM 1944 O HOH 29 19.487 19.414 24.955 1.00 37.88 O HETATM 1945 O HOH 30 -5.611 6.459 34.294 1.00 60.84 O HETATM 1946 N ASP A 31 -3.418 5.264 31.816 1.00 0.24 N HETATM 1947 CA ASP A 31 -3.267 6.245 30.747 1.00 0.08 C HETATM 1948 C ASP A 31 -2.738 7.561 31.314 1.00 0.23 C HETATM 1949 O ASP A 31 -1.828 8.168 30.750 1.00 -0.39 O HETATM 1950 N ASP A 31 -3.312 7.993 32.433 1.00 -0.26 N HETATM 1951 CA ASP A 31 -2.866 9.207 33.105 1.00 0.14 C HETATM 1952 C ASP A 31 -1.712 8.914 34.052 1.00 0.21 C HETATM 1953 O ASP A 31 -1.746 7.950 34.815 1.00 -0.39 O HETATM 1954 N ASP A 31 -0.695 9.764 34.006 1.00 -0.26 N HETATM 1955 CA ASP A 31 0.442 9.647 34.904 1.00 0.14 C HETATM 1956 C ASP A 31 0.265 10.621 36.066 1.00 0.21 C HETATM 1957 O ASP A 31 0.047 11.811 35.859 1.00 -0.39 O HETATM 1958 N ASP A 31 0.349 10.111 37.288 1.00 -0.26 N HETATM 1959 CA ASP A 31 0.192 10.947 38.472 1.00 0.14 C HETATM 1960 C ASP A 31 1.521 11.594 38.841 1.00 0.21 C HETATM 1961 O ASP A 31 2.554 10.929 38.885 1.00 -0.39 O HETATM 1962 N ASP A 31 1.487 12.897 39.102 1.00 -0.26 N HETATM 1963 CA ASP A 31 2.706 13.668 39.299 1.00 0.13 C HETATM 1964 C ASP A 31 2.549 14.685 40.426 1.00 0.21 C HETATM 1965 O ASP A 31 1.923 15.726 40.237 1.00 -0.39 O HETATM 1966 N ASP A 31 3.123 14.390 41.606 1.00 -0.25 N HETATM 1967 CA ASP A 31 3.845 13.152 41.919 1.00 0.13 C HETATM 1968 C ASP A 31 2.882 11.999 42.154 1.00 0.21 C HETATM 1969 O ASP A 31 1.720 12.241 42.482 1.00 -0.39 O HETATM 1970 N ASP A 31 3.357 10.756 41.991 1.00 -0.25 N HETATM 1971 CA ASP A 31 2.512 9.580 42.225 1.00 0.13 C HETATM 1972 C ASP A 31 1.912 9.570 43.631 1.00 0.20 C HETATM 1973 O ASP A 31 0.699 9.387 43.757 1.00 -0.39 O HETATM 1974 N ASP A 31 2.612 10.061 44.652 1.00 -0.30 N HETATM 1975 H55 ASP A 31 2.223 10.056 45.573 1.00 0.18 H HETATM 1976 H56 ASP A 31 3.527 10.434 44.498 1.00 0.18 H HETATM 1977 CB ASP A 31 3.485 8.409 42.044 1.00 -0.01 C HETATM 1978 CG ASP A 31 4.564 8.943 41.165 1.00 -0.03 C HETATM 1979 CD ASP A 31 4.709 10.388 41.538 1.00 0.04 C HETATM 1980 H53 ASP A 31 5.444 10.515 42.346 1.00 0.05 H HETATM 1981 H54 ASP A 31 5.012 10.991 40.669 1.00 0.05 H HETATM 1982 H51 ASP A 31 4.280 8.846 40.107 1.00 0.03 H HETATM 1983 H52 ASP A 31 5.506 8.404 41.343 1.00 0.03 H HETATM 1984 H49 ASP A 31 2.981 7.557 41.565 1.00 0.03 H HETATM 1985 H50 ASP A 31 3.896 8.093 43.014 1.00 0.03 H HETATM 1986 H48 ASP A 31 1.699 9.534 41.485 1.00 0.08 H HETATM 1987 CB ASP A 31 4.583 13.488 43.226 1.00 -0.01 C HETATM 1988 CG ASP A 31 4.434 14.969 43.418 1.00 -0.03 C HETATM 1989 CD ASP A 31 3.169 15.340 42.727 1.00 0.04 C HETATM 1990 H46 ASP A 31 2.302 15.212 43.391 1.00 0.05 H HETATM 1991 H47 ASP A 31 3.204 16.378 42.366 1.00 0.05 H HETATM 1992 H44 ASP A 31 5.286 15.501 42.970 1.00 0.03 H HETATM 1993 H45 ASP A 31 4.372 15.213 44.489 1.00 0.03 H HETATM 1994 H42 ASP A 31 5.646 13.219 43.144 1.00 0.03 H HETATM 1995 H43 ASP A 31 4.131 12.946 44.070 1.00 0.03 H HETATM 1996 H41 ASP A 31 4.550 12.892 41.116 1.00 0.08 H HETATM 1997 CB ASP A 31 3.061 14.400 38.004 1.00 -0.01 C HETATM 1998 CG ASP A 31 4.538 14.724 37.801 1.00 -0.04 C HETATM 1999 CD1 ASP A 31 5.279 13.484 37.337 1.00 -0.06 C HETATM 2000 H35 ASP A 31 6.343 13.725 37.193 1.00 0.02 H HETATM 2001 H36 ASP A 31 4.850 13.135 36.386 1.00 0.02 H HETATM 2002 H37 ASP A 31 5.182 12.693 38.096 1.00 0.02 H HETATM 2003 CD2 ASP A 31 4.703 15.845 36.797 1.00 -0.06 C HETATM 2004 H38 ASP A 31 4.160 16.735 37.149 1.00 0.02 H HETATM 2005 H39 ASP A 31 4.298 15.529 35.825 1.00 0.02 H HETATM 2006 H40 ASP A 31 5.771 16.086 36.688 1.00 0.02 H HETATM 2007 H34 ASP A 31 4.963 15.050 38.762 1.00 0.03 H HETATM 2008 H32 ASP A 31 2.504 15.348 37.990 1.00 0.03 H HETATM 2009 H33 ASP A 31 2.736 13.771 37.162 1.00 0.03 H HETATM 2010 H31 ASP A 31 3.522 12.977 39.558 1.00 0.08 H HETATM 2011 H30 ASP A 31 0.602 13.359 39.165 1.00 0.19 H HETATM 2012 CB ASP A 31 -0.353 10.118 39.633 1.00 0.02 C HETATM 2013 CG ASP A 31 -1.723 9.558 39.377 1.00 -0.04 C HETATM 2014 CD1 ASP A 31 -1.905 8.527 38.468 1.00 -0.06 C HETATM 2015 CE1 ASP A 31 -3.164 8.012 38.223 1.00 -0.07 C HETATM 2016 CZ ASP A 31 -4.259 8.526 38.888 1.00 -0.07 C HETATM 2017 CE2 ASP A 31 -4.091 9.557 39.797 1.00 -0.07 C HETATM 2018 CD2 ASP A 31 -2.829 10.068 40.036 1.00 -0.06 C HETATM 2019 H26 ASP A 31 -2.704 10.877 40.747 1.00 0.06 H HETATM 2020 H28 ASP A 31 -4.949 9.963 40.321 1.00 0.06 H HETATM 2021 H29 ASP A 31 -5.248 8.124 38.699 1.00 0.06 H HETATM 2022 H27 ASP A 31 -3.291 7.206 37.510 1.00 0.06 H HETATM 2023 H25 ASP A 31 -1.049 8.120 37.943 1.00 0.06 H HETATM 2024 H23 ASP A 31 -0.400 10.758 40.526 1.00 0.05 H HETATM 2025 H24 ASP A 31 0.337 9.281 39.817 1.00 0.05 H HETATM 2026 H22 ASP A 31 -0.531 11.744 38.245 1.00 0.08 H HETATM 2027 H21 ASP A 31 0.524 9.133 37.399 1.00 0.19 H HETATM 2028 CB ASP A 31 1.736 9.947 34.144 1.00 0.04 C HETATM 2029 CG ASP A 31 2.951 9.287 34.769 1.00 0.04 C HETATM 2030 OD1 ASP A 31 3.149 9.424 35.996 1.00 -0.57 O HETATM 2031 OD2 ASP A 31 3.714 8.634 34.025 1.00 -0.57 O HETATM 2032 H19 ASP A 31 1.893 11.036 34.134 1.00 0.05 H HETATM 2033 H20 ASP A 31 1.630 9.582 33.112 1.00 0.05 H HETATM 2034 H18 ASP A 31 0.489 8.621 35.298 1.00 0.08 H HETATM 2035 H17 ASP A 31 -0.711 10.506 33.335 1.00 0.19 H HETATM 2036 CB ASP A 31 -4.007 9.837 33.904 1.00 0.00 C HETATM 2037 CG ASP A 31 -5.100 10.417 33.071 1.00 -0.04 C HETATM 2038 CD1 ASP A 31 -6.208 9.769 32.611 1.00 0.02 C HETATM 2039 NE1 ASP A 31 -6.994 10.626 31.885 1.00 -0.29 N HETATM 2040 CE2 ASP A 31 -6.395 11.870 31.867 1.00 0.06 C HETATM 2041 CD2 ASP A 31 -5.207 11.764 32.607 1.00 -0.02 C HETATM 2042 CE3 ASP A 31 -4.402 12.906 32.745 1.00 -0.07 C HETATM 2043 CZ3 ASP A 31 -4.812 14.083 32.146 1.00 -0.08 C HETATM 2044 CH2 ASP A 31 -6.006 14.146 31.414 1.00 -0.08 C HETATM 2045 CZ2 ASP A 31 -6.812 13.049 31.263 1.00 -0.04 C HETATM 2046 H14 ASP A 31 -7.735 13.099 30.697 1.00 0.05 H HETATM 2047 H16 ASP A 31 -6.298 15.085 30.957 1.00 0.05 H HETATM 2048 H15 ASP A 31 -4.200 14.972 32.244 1.00 0.05 H HETATM 2049 H13 ASP A 31 -3.478 12.866 33.310 1.00 0.05 H HETATM 2050 H12 ASP A 31 -7.884 10.382 31.428 1.00 0.22 H HETATM 2051 H11 ASP A 31 -6.436 8.720 32.794 1.00 0.08 H HETATM 2052 H9 ASP A 31 -3.587 10.640 34.527 1.00 0.04 H HETATM 2053 H10 ASP A 31 -4.443 9.061 34.550 1.00 0.04 H HETATM 2054 H8 ASP A 31 -2.527 9.923 32.342 1.00 0.08 H HETATM 2055 H7 ASP A 31 -4.070 7.471 32.824 1.00 0.19 H HETATM 2056 CB ASP A 31 -4.608 6.472 30.047 1.00 0.06 C HETATM 2057 CG ASP A 31 -4.452 7.083 28.667 1.00 0.04 C HETATM 2058 OD1 ASP A 31 -3.351 6.981 28.083 1.00 -0.57 O HETATM 2059 OD2 ASP A 31 -5.438 7.658 28.163 1.00 -0.57 O HETATM 2060 H5 ASP A 31 -5.217 7.148 30.665 1.00 0.05 H HETATM 2061 H6 ASP A 31 -5.121 5.504 29.947 1.00 0.05 H HETATM 2062 H4 ASP A 31 -2.545 5.860 30.012 1.00 0.11 H HETATM 2063 H1 ASP A 31 -3.767 4.400 31.432 1.00 0.20 H HETATM 2064 H2 ASP A 31 -4.067 5.613 32.503 1.00 0.20 H HETATM 2065 H3 ASP A 31 -2.524 5.101 32.251 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1623 1621 1622 1916 CONECT 1652 1651 1916 CONECT 1916 1623 1652 CONECT 1946 1947 2063 2064 2065 CONECT 1947 1946 1948 2056 2062 CONECT 1948 1947 1949 1950 CONECT 1949 1948 CONECT 1950 1948 1951 2055 CONECT 1951 1950 1952 2036 2054 CONECT 1952 1951 1953 1954 CONECT 1953 1952 CONECT 1954 1952 1955 2035 CONECT 1955 1954 1956 2028 2034 CONECT 1956 1955 1957 1958 CONECT 1957 1956 CONECT 1958 1956 1959 2027 CONECT 1959 1958 1960 2012 2026 CONECT 1960 1959 1961 1962 CONECT 1961 1960 CONECT 1962 1960 1963 2011 CONECT 1963 1962 1964 1997 2010 CONECT 1964 1963 1965 1966 CONECT 1965 1964 CONECT 1966 1964 1967 1989 CONECT 1967 1966 1968 1987 1996 CONECT 1968 1967 1969 1970 CONECT 1969 1968 CONECT 1970 1968 1971 1979 CONECT 1971 1970 1972 1977 1986 CONECT 1972 1971 1973 1974 CONECT 1973 1972 CONECT 1974 1972 1975 1976 CONECT 1975 1974 CONECT 1976 1974 CONECT 1977 1971 1978 1984 1985 CONECT 1978 1977 1979 1982 1983 CONECT 1979 1970 1978 1980 1981 CONECT 1980 1979 CONECT 1981 1979 CONECT 1982 1978 CONECT 1983 1978 CONECT 1984 1977 CONECT 1985 1977 CONECT 1986 1971 CONECT 1987 1967 1988 1994 1995 CONECT 1988 1987 1989 1992 1993 CONECT 1989 1966 1988 1990 1991 CONECT 1990 1989 CONECT 1991 1989 CONECT 1992 1988 CONECT 1993 1988 CONECT 1994 1987 CONECT 1995 1987 CONECT 1996 1967 CONECT 1997 1963 1998 2008 2009 CONECT 1998 1997 1999 2003 2007 CONECT 1999 1998 2000 2001 2002 CONECT 2000 1999 CONECT 2001 1999 CONECT 2002 1999 CONECT 2003 1998 2004 2005 2006 CONECT 2004 2003 CONECT 2005 2003 CONECT 2006 2003 CONECT 2007 1998 CONECT 2008 1997 CONECT 2009 1997 CONECT 2010 1963 CONECT 2011 1962 CONECT 2012 1959 2013 2024 2025 CONECT 2013 2012 2014 2018 CONECT 2014 2013 2015 2023 CONECT 2015 2014 2016 2022 CONECT 2016 2015 2017 2021 CONECT 2017 2016 2018 2020 CONECT 2018 2013 2017 2019 CONECT 2019 2018 CONECT 2020 2017 CONECT 2021 2016 CONECT 2022 2015 CONECT 2023 2014 CONECT 2024 2012 CONECT 2025 2012 CONECT 2026 1959 CONECT 2027 1958 CONECT 2028 1955 2029 2032 2033 CONECT 2029 2028 2030 2031 CONECT 2030 2029 CONECT 2031 2029 CONECT 2032 2028 CONECT 2033 2028 CONECT 2034 1955 CONECT 2035 1954 CONECT 2036 1951 2037 2052 2053 CONECT 2037 2036 2038 2041 CONECT 2038 2037 2039 2051 CONECT 2039 2038 2040 2050 CONECT 2040 2039 2041 2045 CONECT 2041 2037 2040 2042 CONECT 2042 2041 2043 2049 CONECT 2043 2042 2044 2048 CONECT 2044 2043 2045 2047 CONECT 2045 2040 2044 2046 CONECT 2046 2045 CONECT 2047 2044 CONECT 2048 2043 CONECT 2049 2042 CONECT 2050 2039 CONECT 2051 2038 CONECT 2052 2036 CONECT 2053 2036 CONECT 2054 1951 CONECT 2055 1950 CONECT 2056 1947 2057 2060 2061 CONECT 2057 2056 2058 2059 CONECT 2058 2057 CONECT 2059 2057 CONECT 2060 2056 CONECT 2061 2056 CONECT 2062 1947 CONECT 2063 1946 CONECT 2064 1946 CONECT 2065 1946 MASTER 0 0 0 0 0 0 0 0 2064 1 127 10 END
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12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
3dow
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Gamma-aminobutyric acid receptor-associated protein
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=11.5uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Febs J. Vol. 276: pp. 1140-1152
Ligand Properties
Formula
C
4
4
H
5
8
N
9
O
1
1
Molecular Weight
888.985
Exact Mass
888.426
No. of atoms
122
No. of bonds
126
Polar Surface Area
318.14
LOGP Value
1.21 (
Computed with XLOGP3
)
1.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 25
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 5
Canonical SMILES
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])Cc1c[nH]c2c1cccc2)CC(=O)O)Cc1ccccc1)C
InChI String
InChI=1S/C44H57N9O11/c1-24(2)18-33(43(63)53-17-9-15-35(53)44(64)52-16-8-14-34(52)38(46)58)51-40(60)30(19-25-10-4-3-5-11-25)49-42(62)32(22-37(56)57)50-41(61)31(48-39(59)28(45)21-36(54)55)20-26-23-47-29-13-7-6-12-27(26)29/h3-7,10-13,23-24,28,30-35,47H,8-9,14-22,45H2,1-2H3,(H2,46,58)(H,48,59)(H,49,62)(H,50,61)(H,51,60)(H,54,55)(H,56,57)/p+1/t28-,30-,31-,32-,33-,34-,35-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P27797
O95166
Entrez Gene ID
NCBI Entrez Gene ID:
811
11337
ASD
Information of known allosteric effects of PDB entries
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