Browse entries in the PDBbind-CN Database
HEADER 3S8L_COMPLEX COMPND 3S8L_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 101 GLU MET LYS PRO HIS PRO TRP PHE PHE GLY LYS ILE PRO SEQRES 2 A 101 ARG ALA LYS ALA GLU GLU MET LEU SER LYS GLN ARG HIS SEQRES 3 A 101 ASP GLY ALA PHE LEU ILE ARG GLU SER GLU SER ALA PRO SEQRES 4 A 101 GLY ASP PHE SER LEU SER VAL LYS PHE GLY ASN ASP VAL SEQRES 5 A 101 GLN HIS PHE LYS VAL LEU ARG ASP GLY ALA GLY LYS TYR SEQRES 6 A 101 PHE LEU TRP VAL VAL LYS PHE ASN SER LEU ASN GLU LEU SEQRES 7 A 101 VAL ASP TYR HIS ARG SER THR SER VAL SER ARG ASN GLN SEQRES 8 A 101 GLN ILE PHE LEU ARG ASP ILE GLU GLN VAL HET ACE A 160 61 ATOM 1 N GLU A 54 -40.763 12.332 -11.862 1.00 60.26 N ATOM 2 CA GLU A 54 -41.282 12.884 -10.569 1.00 60.27 C ATOM 3 C GLU A 54 -40.216 12.711 -9.464 1.00 58.59 C ATOM 4 O GLU A 54 -39.598 11.638 -9.319 1.00 58.38 O ATOM 5 CB GLU A 54 -42.672 12.289 -10.211 1.00 61.20 C ATOM 6 CG GLU A 54 -42.805 11.513 -8.877 1.00 64.98 C ATOM 7 CD GLU A 54 -42.435 10.020 -8.964 1.00 69.21 C ATOM 8 OE1 GLU A 54 -41.420 9.669 -9.627 1.00 70.89 O ATOM 9 OE2 GLU A 54 -43.172 9.197 -8.350 1.00 71.31 O ATOM 10 HA GLU A 54 -41.458 13.955 -10.672 1.00 0.00 H ATOM 11 HB2 GLU A 54 -43.381 13.116 -10.178 1.00 0.00 H ATOM 12 HB3 GLU A 54 -42.950 11.606 -11.014 1.00 0.00 H ATOM 13 HG2 GLU A 54 -42.151 11.983 -8.143 1.00 0.00 H ATOM 14 HG3 GLU A 54 -43.839 11.588 -8.541 1.00 0.00 H ATOM 15 HN3 GLU A 54 -40.548 11.321 -11.745 1.00 0.00 H ATOM 16 HN2 GLU A 54 -39.898 12.842 -12.133 1.00 0.00 H ATOM 17 HN1 GLU A 54 -41.484 12.451 -12.602 1.00 0.00 H ATOM 18 N MET A 55 -40.010 13.782 -8.696 1.00 56.62 N ATOM 19 CA MET A 55 -38.757 13.969 -7.937 1.00 54.33 C ATOM 20 C MET A 55 -38.597 13.200 -6.626 1.00 50.46 C ATOM 21 O MET A 55 -39.344 13.419 -5.678 1.00 50.45 O ATOM 22 CB MET A 55 -38.454 15.465 -7.751 1.00 55.61 C ATOM 23 CG MET A 55 -37.323 15.969 -8.681 1.00 60.11 C ATOM 24 SD MET A 55 -37.362 15.408 -10.427 1.00 70.55 S ATOM 25 CE MET A 55 -35.652 14.813 -10.631 1.00 65.85 C ATOM 26 HA MET A 55 -38.008 13.499 -8.574 1.00 0.00 H ATOM 27 HB2 MET A 55 -39.360 16.033 -7.964 1.00 0.00 H ATOM 28 HB3 MET A 55 -38.156 15.634 -6.716 1.00 0.00 H ATOM 29 HG2 MET A 55 -36.375 15.643 -8.252 1.00 0.00 H ATOM 30 HG3 MET A 55 -37.362 17.058 -8.685 1.00 0.00 H ATOM 31 HE1 MET A 55 -34.959 15.635 -10.451 1.00 0.00 H ATOM 32 HE2 MET A 55 -35.460 14.011 -9.918 1.00 0.00 H ATOM 33 HE3 MET A 55 -35.518 14.438 -11.646 1.00 0.00 H ATOM 34 H MET A 55 -40.753 14.506 -8.630 1.00 0.00 H ATOM 35 N LYS A 56 -37.596 12.310 -6.616 1.00 45.97 N ATOM 36 CA LYS A 56 -37.213 11.489 -5.459 1.00 41.14 C ATOM 37 C LYS A 56 -35.887 11.937 -4.864 1.00 37.10 C ATOM 38 O LYS A 56 -34.987 12.327 -5.574 1.00 36.27 O ATOM 39 CB LYS A 56 -37.054 10.044 -5.879 1.00 42.03 C ATOM 40 CG LYS A 56 -38.277 9.454 -6.615 1.00 43.72 C ATOM 41 CD LYS A 56 -38.612 8.048 -6.109 1.00 50.03 C ATOM 42 CE LYS A 56 -39.550 8.083 -4.860 1.00 52.36 C ATOM 43 NZ LYS A 56 -40.990 8.426 -5.165 1.00 53.83 N ATOM 44 HA LYS A 56 -38.003 11.601 -4.716 1.00 0.00 H ATOM 45 HB2 LYS A 56 -36.191 9.974 -6.541 1.00 0.00 H ATOM 46 HB3 LYS A 56 -36.873 9.447 -4.985 1.00 0.00 H ATOM 47 HG2 LYS A 56 -39.137 10.104 -6.451 1.00 0.00 H ATOM 48 HG3 LYS A 56 -38.059 9.404 -7.682 1.00 0.00 H ATOM 49 HD2 LYS A 56 -39.108 7.496 -6.907 1.00 0.00 H ATOM 50 HD3 LYS A 56 -37.686 7.541 -5.840 1.00 0.00 H ATOM 51 HE2 LYS A 56 -39.163 8.827 -4.164 1.00 0.00 H ATOM 52 HE3 LYS A 56 -39.527 7.100 -4.389 1.00 0.00 H ATOM 53 HZ1 LYS A 56 -41.035 9.368 -5.604 1.00 0.00 H ATOM 54 HZ2 LYS A 56 -41.383 7.719 -5.818 1.00 0.00 H ATOM 55 HZ3 LYS A 56 -41.539 8.427 -4.282 1.00 0.00 H ATOM 56 H LYS A 56 -37.049 12.191 -7.493 1.00 0.00 H ATOM 57 N PRO A 57 -35.733 11.827 -3.548 1.00 32.08 N ATOM 58 CA PRO A 57 -34.394 12.146 -3.035 1.00 29.80 C ATOM 59 C PRO A 57 -33.336 11.134 -3.539 1.00 27.94 C ATOM 60 O PRO A 57 -33.670 9.996 -3.917 1.00 28.81 O ATOM 61 CB PRO A 57 -34.579 12.082 -1.499 1.00 28.63 C ATOM 62 CG PRO A 57 -35.811 11.253 -1.295 1.00 30.04 C ATOM 63 CD PRO A 57 -36.684 11.418 -2.506 1.00 32.82 C ATOM 64 HA PRO A 57 -34.025 13.115 -3.372 1.00 0.00 H ATOM 65 HD3 PRO A 57 -37.172 10.479 -2.768 1.00 0.00 H ATOM 66 HD2 PRO A 57 -37.440 12.186 -2.342 1.00 0.00 H ATOM 67 HG3 PRO A 57 -36.343 11.592 -0.406 1.00 0.00 H ATOM 68 HG2 PRO A 57 -35.537 10.205 -1.176 1.00 0.00 H ATOM 69 HB2 PRO A 57 -33.717 11.611 -1.028 1.00 0.00 H ATOM 70 HB3 PRO A 57 -34.716 13.082 -1.087 1.00 0.00 H ATOM 71 N HIS A 58 -32.072 11.521 -3.601 1.00 26.35 N ATOM 72 CA HIS A 58 -31.037 10.557 -4.022 1.00 25.21 C ATOM 73 C HIS A 58 -30.730 9.483 -2.983 1.00 26.95 C ATOM 74 O HIS A 58 -30.537 9.798 -1.795 1.00 28.16 O ATOM 75 CB HIS A 58 -29.748 11.293 -4.329 1.00 23.24 C ATOM 76 CG HIS A 58 -29.851 12.138 -5.529 1.00 22.27 C ATOM 77 ND1 HIS A 58 -30.139 11.597 -6.766 1.00 25.33 N ATOM 78 CD2 HIS A 58 -29.749 13.476 -5.713 1.00 18.50 C ATOM 79 CE1 HIS A 58 -30.158 12.557 -7.670 1.00 24.71 C ATOM 80 NE2 HIS A 58 -29.947 13.704 -7.056 1.00 28.69 N ATOM 81 HA HIS A 58 -31.441 10.056 -4.902 1.00 0.00 H ATOM 82 HB2 HIS A 58 -29.495 11.925 -3.477 1.00 0.00 H ATOM 83 HB3 HIS A 58 -28.956 10.561 -4.484 1.00 0.00 H ATOM 84 HD2 HIS A 58 -29.549 14.226 -4.947 1.00 0.00 H ATOM 85 HE1 HIS A 58 -30.320 12.425 -8.740 1.00 0.00 H ATOM 86 H HIS A 58 -31.810 12.497 -3.355 1.00 0.00 H ATOM 87 N PRO A 59 -30.569 8.241 -3.438 1.00 25.62 N ATOM 88 CA PRO A 59 -30.372 7.173 -2.492 1.00 26.10 C ATOM 89 C PRO A 59 -28.938 7.104 -1.931 1.00 25.45 C ATOM 90 O PRO A 59 -28.634 6.200 -1.130 1.00 26.22 O ATOM 91 CB PRO A 59 -30.655 5.931 -3.337 1.00 26.33 C ATOM 92 CG PRO A 59 -30.136 6.359 -4.721 1.00 27.75 C ATOM 93 CD PRO A 59 -30.678 7.745 -4.832 1.00 25.79 C ATOM 94 HA PRO A 59 -31.005 7.293 -1.613 1.00 0.00 H ATOM 95 HD3 PRO A 59 -30.080 8.349 -5.514 1.00 0.00 H ATOM 96 HD2 PRO A 59 -31.715 7.738 -5.169 1.00 0.00 H ATOM 97 HG3 PRO A 59 -30.527 5.715 -5.509 1.00 0.00 H ATOM 98 HG2 PRO A 59 -29.047 6.354 -4.756 1.00 0.00 H ATOM 99 HB2 PRO A 59 -30.112 5.064 -2.961 1.00 0.00 H ATOM 100 HB3 PRO A 59 -31.721 5.706 -3.366 1.00 0.00 H ATOM 101 N TRP A 60 -28.085 8.035 -2.361 1.00 24.16 N ATOM 102 CA TRP A 60 -26.651 7.973 -2.049 1.00 22.49 C ATOM 103 C TRP A 60 -26.202 9.027 -1.054 1.00 22.40 C ATOM 104 O TRP A 60 -25.044 9.062 -0.710 1.00 21.64 O ATOM 105 CB TRP A 60 -25.827 8.081 -3.348 1.00 22.92 C ATOM 106 CG TRP A 60 -26.231 9.138 -4.377 1.00 21.28 C ATOM 107 CD1 TRP A 60 -26.985 8.927 -5.485 1.00 21.44 C ATOM 108 CD2 TRP A 60 -25.890 10.511 -4.392 1.00 23.04 C ATOM 109 NE1 TRP A 60 -27.164 10.096 -6.167 1.00 23.12 N ATOM 110 CE2 TRP A 60 -26.457 11.078 -5.554 1.00 18.97 C ATOM 111 CE3 TRP A 60 -25.140 11.331 -3.552 1.00 19.26 C ATOM 112 CZ2 TRP A 60 -26.326 12.437 -5.874 1.00 19.47 C ATOM 113 CZ3 TRP A 60 -24.992 12.673 -3.882 1.00 22.41 C ATOM 114 CH2 TRP A 60 -25.571 13.219 -5.030 1.00 20.46 C ATOM 115 HA TRP A 60 -26.476 7.009 -1.572 1.00 0.00 H ATOM 116 HB2 TRP A 60 -24.796 8.288 -3.060 1.00 0.00 H ATOM 117 HB3 TRP A 60 -25.877 7.112 -3.844 1.00 0.00 H ATOM 118 HE1 TRP A 60 -27.748 10.215 -7.019 1.00 0.00 H ATOM 119 HD1 TRP A 60 -27.390 7.961 -5.788 1.00 0.00 H ATOM 120 HZ2 TRP A 60 -26.804 12.858 -6.758 1.00 0.00 H ATOM 121 HH2 TRP A 60 -25.423 14.274 -5.259 1.00 0.00 H ATOM 122 HZ3 TRP A 60 -24.407 13.318 -3.226 1.00 0.00 H ATOM 123 HE3 TRP A 60 -24.677 10.927 -2.652 1.00 0.00 H ATOM 124 H TRP A 60 -28.445 8.826 -2.932 1.00 0.00 H ATOM 125 N PHE A 61 -27.099 9.908 -0.604 1.00 21.27 N ATOM 126 CA PHE A 61 -26.616 10.937 0.311 1.00 20.57 C ATOM 127 C PHE A 61 -26.873 10.598 1.755 1.00 22.16 C ATOM 128 O PHE A 61 -27.998 10.522 2.160 1.00 23.80 O ATOM 129 CB PHE A 61 -27.218 12.315 0.002 1.00 21.23 C ATOM 130 CG PHE A 61 -26.580 13.396 0.819 1.00 23.07 C ATOM 131 CD1 PHE A 61 -25.357 13.969 0.393 1.00 24.46 C ATOM 132 CD2 PHE A 61 -27.118 13.754 2.057 1.00 22.65 C ATOM 133 CE1 PHE A 61 -24.720 14.918 1.118 1.00 27.97 C ATOM 134 CE2 PHE A 61 -26.456 14.731 2.829 1.00 24.23 C ATOM 135 CZ PHE A 61 -25.275 15.310 2.359 1.00 25.82 C ATOM 136 HA PHE A 61 -25.538 10.976 0.153 1.00 0.00 H ATOM 137 HB2 PHE A 61 -27.069 12.537 -1.055 1.00 0.00 H ATOM 138 HB3 PHE A 61 -28.286 12.291 0.220 1.00 0.00 H ATOM 139 HD2 PHE A 61 -28.033 13.287 2.420 1.00 0.00 H ATOM 140 HE2 PHE A 61 -26.866 15.034 3.792 1.00 0.00 H ATOM 141 HZ PHE A 61 -24.775 16.073 2.955 1.00 0.00 H ATOM 142 HE1 PHE A 61 -23.798 15.371 0.753 1.00 0.00 H ATOM 143 HD1 PHE A 61 -24.916 13.636 -0.546 1.00 0.00 H ATOM 144 H PHE A 61 -28.097 9.863 -0.893 1.00 0.00 H ATOM 145 N PHE A 62 -25.788 10.357 2.484 1.00 20.38 N ATOM 146 CA PHE A 62 -25.902 9.806 3.858 1.00 21.23 C ATOM 147 C PHE A 62 -25.527 10.804 4.921 1.00 20.68 C ATOM 148 O PHE A 62 -25.506 10.405 6.115 1.00 21.42 O ATOM 149 CB PHE A 62 -25.105 8.524 4.014 1.00 20.88 C ATOM 150 CG PHE A 62 -25.833 7.270 3.512 1.00 22.17 C ATOM 151 CD1 PHE A 62 -25.963 7.014 2.173 1.00 21.83 C ATOM 152 CD2 PHE A 62 -26.295 6.337 4.397 1.00 26.47 C ATOM 153 CE1 PHE A 62 -26.595 5.884 1.714 1.00 23.29 C ATOM 154 CE2 PHE A 62 -26.925 5.197 3.974 1.00 30.72 C ATOM 155 CZ PHE A 62 -27.075 4.964 2.583 1.00 28.60 C ATOM 156 HA PHE A 62 -26.957 9.571 4.002 1.00 0.00 H ATOM 157 HB2 PHE A 62 -24.176 8.628 3.454 1.00 0.00 H ATOM 158 HB3 PHE A 62 -24.878 8.388 5.071 1.00 0.00 H ATOM 159 HD2 PHE A 62 -26.159 6.504 5.465 1.00 0.00 H ATOM 160 HE2 PHE A 62 -27.307 4.477 4.698 1.00 0.00 H ATOM 161 HZ PHE A 62 -27.567 4.061 2.221 1.00 0.00 H ATOM 162 HE1 PHE A 62 -26.711 5.727 0.642 1.00 0.00 H ATOM 163 HD1 PHE A 62 -25.555 7.724 1.454 1.00 0.00 H ATOM 164 H PHE A 62 -24.848 10.557 2.087 1.00 0.00 H ATOM 165 N GLY A 63 -25.264 12.057 4.562 1.00 19.85 N ATOM 166 CA GLY A 63 -24.921 13.086 5.560 1.00 20.98 C ATOM 167 C GLY A 63 -23.689 12.732 6.372 1.00 22.39 C ATOM 168 O GLY A 63 -22.706 12.150 5.881 1.00 20.90 O ATOM 169 HA3 GLY A 63 -25.764 13.206 6.240 1.00 0.00 H ATOM 170 HA2 GLY A 63 -24.738 14.027 5.041 1.00 0.00 H ATOM 171 H GLY A 63 -25.301 12.316 3.556 1.00 0.00 H ATOM 172 N LYS A 64 -23.732 13.059 7.656 1.00 24.79 N ATOM 173 CA LYS A 64 -22.586 12.858 8.488 1.00 26.48 C ATOM 174 C LYS A 64 -22.478 11.417 9.034 1.00 29.56 C ATOM 175 O LYS A 64 -22.475 11.211 10.229 1.00 31.76 O ATOM 176 CB LYS A 64 -22.588 13.897 9.652 1.00 26.09 C ATOM 177 CG LYS A 64 -21.148 14.060 10.254 1.00 28.96 C ATOM 178 CD LYS A 64 -21.046 15.157 11.364 1.00 34.43 C ATOM 179 CE LYS A 64 -19.652 15.111 12.009 1.00 39.63 C ATOM 180 NZ LYS A 64 -18.912 16.422 12.300 1.00 46.66 N ATOM 181 HA LYS A 64 -21.705 13.010 7.865 1.00 0.00 H ATOM 182 HB2 LYS A 64 -22.928 14.860 9.271 1.00 0.00 H ATOM 183 HB3 LYS A 64 -23.267 13.557 10.434 1.00 0.00 H ATOM 184 HG2 LYS A 64 -20.846 13.106 10.685 1.00 0.00 H ATOM 185 HG3 LYS A 64 -20.466 14.324 9.446 1.00 0.00 H ATOM 186 HD2 LYS A 64 -21.208 16.139 10.920 1.00 0.00 H ATOM 187 HD3 LYS A 64 -21.804 14.974 12.125 1.00 0.00 H ATOM 188 HE2 LYS A 64 -19.014 14.527 11.345 1.00 0.00 H ATOM 189 HE3 LYS A 64 -19.759 14.589 12.960 1.00 0.00 H ATOM 190 HZ1 LYS A 64 -18.767 16.941 11.411 1.00 0.00 H ATOM 191 HZ2 LYS A 64 -19.478 17.001 12.953 1.00 0.00 H ATOM 192 HZ3 LYS A 64 -17.991 16.210 12.733 1.00 0.00 H ATOM 193 H LYS A 64 -24.601 13.463 8.059 1.00 0.00 H ATOM 194 N ILE A 65 -22.399 10.391 8.210 1.00 29.74 N ATOM 195 CA ILE A 65 -22.039 9.110 8.846 1.00 30.36 C ATOM 196 C ILE A 65 -20.515 8.954 9.012 1.00 29.04 C ATOM 197 O ILE A 65 -19.764 9.470 8.162 1.00 29.82 O ATOM 198 CB ILE A 65 -22.717 7.900 8.205 1.00 30.85 C ATOM 199 CG1 ILE A 65 -22.268 7.658 6.746 1.00 33.79 C ATOM 200 CG2 ILE A 65 -24.276 7.975 8.376 1.00 34.99 C ATOM 201 CD1 ILE A 65 -22.562 6.205 6.407 1.00 37.83 C ATOM 202 HA ILE A 65 -22.448 9.143 9.856 1.00 0.00 H ATOM 203 HB ILE A 65 -22.381 7.014 8.744 1.00 0.00 H ATOM 204 HG12 ILE A 65 -22.819 8.315 6.074 1.00 0.00 H ATOM 205 HG13 ILE A 65 -21.200 7.854 6.649 1.00 0.00 H ATOM 206 HD11 ILE A 65 -22.010 5.556 7.087 1.00 0.00 H ATOM 207 HD12 ILE A 65 -23.631 6.018 6.511 1.00 0.00 H ATOM 208 HD13 ILE A 65 -22.255 6.003 5.381 1.00 0.00 H ATOM 209 HG21 ILE A 65 -24.523 7.994 9.437 1.00 0.00 H ATOM 210 HG22 ILE A 65 -24.650 8.881 7.898 1.00 0.00 H ATOM 211 HG23 ILE A 65 -24.734 7.102 7.911 1.00 0.00 H ATOM 212 H ILE A 65 -22.577 10.478 7.189 1.00 0.00 H ATOM 213 N PRO A 66 -20.040 8.272 10.082 1.00 26.54 N ATOM 214 CA PRO A 66 -18.595 8.080 10.189 1.00 24.64 C ATOM 215 C PRO A 66 -18.023 7.296 9.064 1.00 24.05 C ATOM 216 O PRO A 66 -18.752 6.474 8.486 1.00 24.23 O ATOM 217 CB PRO A 66 -18.439 7.310 11.489 1.00 26.47 C ATOM 218 CG PRO A 66 -19.648 7.739 12.297 1.00 26.14 C ATOM 219 CD PRO A 66 -20.740 7.963 11.359 1.00 26.63 C ATOM 220 HA PRO A 66 -18.067 9.033 10.162 1.00 0.00 H ATOM 221 HD3 PRO A 66 -21.358 7.071 11.259 1.00 0.00 H ATOM 222 HD2 PRO A 66 -21.361 8.800 11.676 1.00 0.00 H ATOM 223 HG3 PRO A 66 -19.427 8.658 12.839 1.00 0.00 H ATOM 224 HG2 PRO A 66 -19.920 6.957 13.006 1.00 0.00 H ATOM 225 HB2 PRO A 66 -18.450 6.235 11.310 1.00 0.00 H ATOM 226 HB3 PRO A 66 -17.513 7.583 11.996 1.00 0.00 H ATOM 227 N ARG A 67 -16.746 7.585 8.716 1.00 22.40 N ATOM 228 CA ARG A 67 -15.991 6.743 7.774 1.00 21.72 C ATOM 229 C ARG A 67 -16.183 5.231 8.040 1.00 21.29 C ATOM 230 O ARG A 67 -16.429 4.419 7.113 1.00 18.89 O ATOM 231 CB ARG A 67 -14.537 7.103 7.870 1.00 21.35 C ATOM 232 CG ARG A 67 -13.621 6.373 6.880 1.00 21.52 C ATOM 233 CD ARG A 67 -12.221 6.732 7.195 1.00 25.07 C ATOM 234 NE ARG A 67 -11.269 5.869 6.511 1.00 25.09 N ATOM 235 CZ ARG A 67 -10.590 6.233 5.417 1.00 23.87 C ATOM 236 NH1 ARG A 67 -10.731 7.423 4.916 1.00 24.75 N ATOM 237 NH2 ARG A 67 -9.709 5.394 4.879 1.00 22.86 N ATOM 238 HA ARG A 67 -16.371 6.933 6.770 1.00 0.00 H ATOM 239 HB2 ARG A 67 -14.441 8.174 7.693 1.00 0.00 H ATOM 240 HB3 ARG A 67 -14.197 6.871 8.879 1.00 0.00 H ATOM 241 HG2 ARG A 67 -13.757 5.296 6.977 1.00 0.00 H ATOM 242 HG3 ARG A 67 -13.860 6.678 5.861 1.00 0.00 H ATOM 243 HD2 ARG A 67 -12.068 6.642 8.270 1.00 0.00 H ATOM 244 HD3 ARG A 67 -12.045 7.763 6.889 1.00 0.00 H ATOM 245 HE ARG A 67 -11.107 4.916 6.894 1.00 0.00 H ATOM 246 HH12 ARG A 67 -10.198 7.696 4.065 1.00 0.00 H ATOM 247 HH11 ARG A 67 -11.377 8.103 5.366 1.00 0.00 H ATOM 248 HH22 ARG A 67 -9.179 5.672 4.029 1.00 0.00 H ATOM 249 HH21 ARG A 67 -9.551 4.460 5.309 1.00 0.00 H ATOM 250 H ARG A 67 -16.287 8.424 9.125 1.00 0.00 H ATOM 251 N ALA A 68 -16.104 4.816 9.324 1.00 20.21 N ATOM 252 CA ALA A 68 -16.170 3.421 9.633 1.00 20.88 C ATOM 253 C ALA A 68 -17.590 2.879 9.360 1.00 21.63 C ATOM 254 O ALA A 68 -17.763 1.752 8.934 1.00 23.68 O ATOM 255 CB ALA A 68 -15.771 3.187 11.123 1.00 20.12 C ATOM 256 HA ALA A 68 -15.469 2.883 8.995 1.00 0.00 H ATOM 257 HB1 ALA A 68 -14.754 3.544 11.286 1.00 0.00 H ATOM 258 HB2 ALA A 68 -16.457 3.732 11.771 1.00 0.00 H ATOM 259 HB3 ALA A 68 -15.824 2.122 11.349 1.00 0.00 H ATOM 260 H ALA A 68 -15.995 5.512 10.089 1.00 0.00 H ATOM 261 N LYS A 69 -18.599 3.675 9.641 1.00 20.55 N ATOM 262 CA LYS A 69 -19.953 3.266 9.442 1.00 22.06 C ATOM 263 C LYS A 69 -20.264 3.103 7.941 1.00 21.64 C ATOM 264 O LYS A 69 -20.933 2.227 7.561 1.00 21.79 O ATOM 265 CB LYS A 69 -20.933 4.211 10.099 1.00 24.39 C ATOM 266 CG LYS A 69 -20.927 4.129 11.573 1.00 29.40 C ATOM 267 CD LYS A 69 -21.469 2.825 12.031 1.00 35.46 C ATOM 268 CE LYS A 69 -22.847 2.670 11.609 1.00 44.26 C ATOM 269 NZ LYS A 69 -23.051 2.880 10.165 1.00 50.07 N ATOM 270 HA LYS A 69 -20.071 2.295 9.924 1.00 0.00 H ATOM 271 HB2 LYS A 69 -20.679 5.230 9.808 1.00 0.00 H ATOM 272 HB3 LYS A 69 -21.935 3.972 9.743 1.00 0.00 H ATOM 273 HG2 LYS A 69 -19.904 4.237 11.933 1.00 0.00 H ATOM 274 HG3 LYS A 69 -21.541 4.934 11.978 1.00 0.00 H ATOM 275 HD2 LYS A 69 -20.871 2.019 11.606 1.00 0.00 H ATOM 276 HD3 LYS A 69 -21.420 2.778 13.119 1.00 0.00 H ATOM 277 HE2 LYS A 69 -23.457 3.392 12.152 1.00 0.00 H ATOM 278 HE3 LYS A 69 -23.173 1.660 11.860 1.00 0.00 H ATOM 279 HZ1 LYS A 69 -22.755 3.844 9.911 1.00 0.00 H ATOM 280 HZ2 LYS A 69 -22.484 2.190 9.632 1.00 0.00 H ATOM 281 HZ3 LYS A 69 -24.058 2.753 9.936 1.00 0.00 H ATOM 282 H LYS A 69 -18.406 4.625 10.017 1.00 0.00 H ATOM 283 N ALA A 70 -19.735 3.990 7.124 1.00 21.67 N ATOM 284 CA ALA A 70 -19.801 3.809 5.635 1.00 22.96 C ATOM 285 C ALA A 70 -19.216 2.496 5.236 1.00 23.06 C ATOM 286 O ALA A 70 -19.832 1.769 4.457 1.00 25.12 O ATOM 287 CB ALA A 70 -19.090 4.946 4.946 1.00 23.25 C ATOM 288 HA ALA A 70 -20.847 3.815 5.327 1.00 0.00 H ATOM 289 HB1 ALA A 70 -19.568 5.888 5.215 1.00 0.00 H ATOM 290 HB2 ALA A 70 -18.046 4.964 5.260 1.00 0.00 H ATOM 291 HB3 ALA A 70 -19.144 4.805 3.866 1.00 0.00 H ATOM 292 H ALA A 70 -19.264 4.830 7.517 1.00 0.00 H ATOM 293 N GLU A 71 -18.043 2.145 5.788 1.00 22.48 N ATOM 294 CA GLU A 71 -17.418 0.834 5.514 1.00 21.45 C ATOM 295 C GLU A 71 -18.308 -0.305 5.960 1.00 22.87 C ATOM 296 O GLU A 71 -18.507 -1.286 5.217 1.00 21.32 O ATOM 297 CB GLU A 71 -16.002 0.720 6.052 1.00 22.00 C ATOM 298 CG GLU A 71 -14.992 1.725 5.510 1.00 25.47 C ATOM 299 CD GLU A 71 -13.572 1.410 5.914 1.00 31.00 C ATOM 300 OE1 GLU A 71 -13.351 0.415 6.610 1.00 39.27 O ATOM 301 OE2 GLU A 71 -12.653 2.153 5.600 1.00 29.43 O ATOM 302 HA GLU A 71 -17.315 0.757 4.432 1.00 0.00 H ATOM 303 HB2 GLU A 71 -16.046 0.844 7.134 1.00 0.00 H ATOM 304 HB3 GLU A 71 -15.636 -0.279 5.816 1.00 0.00 H ATOM 305 HG2 GLU A 71 -15.052 1.726 4.422 1.00 0.00 H ATOM 306 HG3 GLU A 71 -15.249 2.715 5.887 1.00 0.00 H ATOM 307 H GLU A 71 -17.562 2.813 6.424 1.00 0.00 H ATOM 308 N GLU A 72 -18.859 -0.192 7.165 1.00 22.19 N ATOM 309 CA GLU A 72 -19.793 -1.198 7.666 1.00 23.84 C ATOM 310 C GLU A 72 -20.997 -1.424 6.755 1.00 22.14 C ATOM 311 O GLU A 72 -21.362 -2.575 6.532 1.00 22.64 O ATOM 312 CB GLU A 72 -20.271 -0.891 9.105 1.00 23.87 C ATOM 313 CG GLU A 72 -21.460 -1.776 9.517 1.00 26.62 C ATOM 314 CD GLU A 72 -22.063 -1.422 10.892 1.00 29.30 C ATOM 315 OE1 GLU A 72 -21.536 -0.495 11.548 1.00 32.25 O ATOM 316 OE2 GLU A 72 -23.084 -2.056 11.289 1.00 31.75 O ATOM 317 HA GLU A 72 -19.218 -2.124 7.678 1.00 0.00 H ATOM 318 HB2 GLU A 72 -19.446 -1.066 9.795 1.00 0.00 H ATOM 319 HB3 GLU A 72 -20.574 0.155 9.160 1.00 0.00 H ATOM 320 HG2 GLU A 72 -22.241 -1.673 8.764 1.00 0.00 H ATOM 321 HG3 GLU A 72 -21.122 -2.812 9.548 1.00 0.00 H ATOM 322 H GLU A 72 -18.621 0.626 7.761 1.00 0.00 H ATOM 323 N MET A 73 -21.562 -0.361 6.183 1.00 21.49 N ATOM 324 CA MET A 73 -22.788 -0.499 5.455 1.00 22.51 C ATOM 325 C MET A 73 -22.374 -1.019 4.073 1.00 22.70 C ATOM 326 O MET A 73 -22.987 -1.951 3.556 1.00 22.95 O ATOM 327 CB MET A 73 -23.506 0.840 5.375 1.00 23.72 C ATOM 328 CG MET A 73 -24.861 0.734 4.657 1.00 29.35 C ATOM 329 SD MET A 73 -24.638 1.136 2.874 1.00 38.88 S ATOM 330 CE MET A 73 -24.745 2.914 3.090 1.00 43.70 C ATOM 331 HA MET A 73 -23.490 -1.183 5.933 1.00 0.00 H ATOM 332 HB2 MET A 73 -23.673 1.209 6.387 1.00 0.00 H ATOM 333 HB3 MET A 73 -22.876 1.544 4.832 1.00 0.00 H ATOM 334 HG2 MET A 73 -25.566 1.436 5.103 1.00 0.00 H ATOM 335 HG3 MET A 73 -25.248 -0.280 4.756 1.00 0.00 H ATOM 336 HE1 MET A 73 -25.714 3.169 3.520 1.00 0.00 H ATOM 337 HE2 MET A 73 -23.950 3.246 3.758 1.00 0.00 H ATOM 338 HE3 MET A 73 -24.636 3.404 2.122 1.00 0.00 H ATOM 339 H MET A 73 -21.111 0.572 6.266 1.00 0.00 H ATOM 340 N LEU A 74 -21.338 -0.423 3.485 1.00 22.80 N ATOM 341 CA LEU A 74 -20.928 -0.894 2.144 1.00 22.88 C ATOM 342 C LEU A 74 -20.451 -2.322 2.066 1.00 24.91 C ATOM 343 O LEU A 74 -20.605 -2.966 1.016 1.00 26.23 O ATOM 344 CB LEU A 74 -19.995 0.101 1.459 1.00 22.53 C ATOM 345 CG LEU A 74 -20.659 1.447 1.171 1.00 21.06 C ATOM 346 CD1 LEU A 74 -19.559 2.501 0.837 1.00 25.92 C ATOM 347 CD2 LEU A 74 -21.811 1.460 0.098 1.00 23.91 C ATOM 348 HA LEU A 74 -21.852 -0.927 1.567 1.00 0.00 H ATOM 349 HB2 LEU A 74 -19.134 0.270 2.105 1.00 0.00 H ATOM 350 HB3 LEU A 74 -19.661 -0.330 0.515 1.00 0.00 H ATOM 351 HG LEU A 74 -21.189 1.702 2.089 1.00 0.00 H ATOM 352 HD21 LEU A 74 -21.419 1.115 -0.859 1.00 0.00 H ATOM 353 HD22 LEU A 74 -22.615 0.799 0.422 1.00 0.00 H ATOM 354 HD23 LEU A 74 -22.194 2.475 -0.009 1.00 0.00 H ATOM 355 HD11 LEU A 74 -18.883 2.600 1.686 1.00 0.00 H ATOM 356 HD12 LEU A 74 -18.999 2.174 -0.039 1.00 0.00 H ATOM 357 HD13 LEU A 74 -20.029 3.462 0.631 1.00 0.00 H ATOM 358 H LEU A 74 -20.831 0.353 3.956 1.00 0.00 H ATOM 359 N SER A 75 -19.881 -2.832 3.158 1.00 24.62 N ATOM 360 CA SER A 75 -19.394 -4.190 3.125 1.00 26.21 C ATOM 361 C SER A 75 -20.502 -5.185 2.856 1.00 25.97 C ATOM 362 O SER A 75 -20.206 -6.247 2.342 1.00 27.59 O ATOM 363 CB SER A 75 -18.673 -4.565 4.406 1.00 25.10 C ATOM 364 OG SER A 75 -17.508 -3.781 4.521 1.00 26.77 O ATOM 365 HA SER A 75 -18.683 -4.233 2.300 1.00 0.00 H ATOM 366 HB2 SER A 75 -18.403 -5.621 4.378 1.00 0.00 H ATOM 367 HB3 SER A 75 -19.324 -4.380 5.260 1.00 0.00 H ATOM 368 HG SER A 75 -17.757 -2.823 4.545 1.00 0.00 H ATOM 369 H SER A 75 -19.789 -2.259 4.021 1.00 0.00 H ATOM 370 N LYS A 76 -21.743 -4.842 3.212 1.00 26.04 N ATOM 371 CA LYS A 76 -22.897 -5.728 3.045 1.00 26.53 C ATOM 372 C LYS A 76 -23.517 -5.629 1.654 1.00 26.10 C ATOM 373 O LYS A 76 -24.405 -6.406 1.304 1.00 27.71 O ATOM 374 CB LYS A 76 -23.982 -5.431 4.046 1.00 26.37 C ATOM 375 CG LYS A 76 -23.466 -5.547 5.522 1.00 25.53 C ATOM 376 CD LYS A 76 -24.574 -5.360 6.486 1.00 28.92 C ATOM 377 CE LYS A 76 -24.765 -3.953 6.767 1.00 32.57 C ATOM 378 NZ LYS A 76 -25.665 -3.873 7.921 1.00 36.66 N ATOM 379 HA LYS A 76 -22.504 -6.733 3.199 1.00 0.00 H ATOM 380 HB2 LYS A 76 -24.348 -4.418 3.879 1.00 0.00 H ATOM 381 HB3 LYS A 76 -24.798 -6.139 3.901 1.00 0.00 H ATOM 382 HG2 LYS A 76 -23.027 -6.533 5.670 1.00 0.00 H ATOM 383 HG3 LYS A 76 -22.708 -4.783 5.696 1.00 0.00 H ATOM 384 HD2 LYS A 76 -25.491 -5.770 6.064 1.00 0.00 H ATOM 385 HD3 LYS A 76 -24.337 -5.883 7.413 1.00 0.00 H ATOM 386 HE2 LYS A 76 -25.212 -3.455 5.906 1.00 0.00 H ATOM 387 HE3 LYS A 76 -23.810 -3.483 7.002 1.00 0.00 H ATOM 388 HZ1 LYS A 76 -26.569 -4.330 7.686 1.00 0.00 H ATOM 389 HZ2 LYS A 76 -25.230 -4.357 8.732 1.00 0.00 H ATOM 390 HZ3 LYS A 76 -25.832 -2.875 8.160 1.00 0.00 H ATOM 391 H LYS A 76 -21.897 -3.901 3.627 1.00 0.00 H ATOM 392 N GLN A 77 -23.056 -4.665 0.890 1.00 26.16 N ATOM 393 CA GLN A 77 -23.537 -4.564 -0.512 1.00 22.35 C ATOM 394 C GLN A 77 -22.864 -5.641 -1.337 1.00 24.33 C ATOM 395 O GLN A 77 -21.708 -5.958 -1.131 1.00 23.70 O ATOM 396 CB GLN A 77 -23.175 -3.177 -1.047 1.00 22.39 C ATOM 397 CG GLN A 77 -23.964 -2.090 -0.499 1.00 21.49 C ATOM 398 CD GLN A 77 -25.398 -2.168 -0.873 1.00 27.92 C ATOM 399 OE1 GLN A 77 -25.744 -2.138 -2.017 1.00 28.18 O ATOM 400 NE2 GLN A 77 -26.240 -2.261 0.097 1.00 29.20 N ATOM 401 HA GLN A 77 -24.617 -4.701 -0.565 1.00 0.00 H ATOM 402 HB2 GLN A 77 -22.127 -2.986 -0.815 1.00 0.00 H ATOM 403 HB3 GLN A 77 -23.311 -3.184 -2.128 1.00 0.00 H ATOM 404 HG2 GLN A 77 -23.886 -2.118 0.588 1.00 0.00 H ATOM 405 HG3 GLN A 77 -23.560 -1.147 -0.867 1.00 0.00 H ATOM 406 HE22 GLN A 77 -25.901 -2.284 1.080 1.00 0.00 H ATOM 407 HE21 GLN A 77 -27.259 -2.313 -0.102 1.00 0.00 H ATOM 408 H GLN A 77 -22.365 -3.983 1.261 1.00 0.00 H ATOM 409 N ARG A 78 -23.545 -6.181 -2.364 1.00 24.80 N ATOM 410 CA ARG A 78 -23.000 -7.288 -3.141 1.00 24.54 C ATOM 411 C ARG A 78 -22.218 -6.844 -4.367 1.00 25.20 C ATOM 412 O ARG A 78 -21.359 -7.608 -4.884 1.00 25.96 O ATOM 413 CB ARG A 78 -24.137 -8.192 -3.674 1.00 25.23 C ATOM 414 CG ARG A 78 -24.801 -9.096 -2.621 1.00 25.56 C ATOM 415 CD ARG A 78 -25.990 -9.777 -3.249 1.00 24.28 C ATOM 416 NE ARG A 78 -26.308 -10.984 -2.550 1.00 23.51 N ATOM 417 CZ ARG A 78 -27.320 -11.788 -2.875 1.00 27.34 C ATOM 418 NH1 ARG A 78 -28.090 -11.483 -3.916 1.00 22.74 N ATOM 419 NH2 ARG A 78 -27.573 -12.878 -2.137 1.00 25.02 N ATOM 420 HA ARG A 78 -22.336 -7.809 -2.451 1.00 0.00 H ATOM 421 HB2 ARG A 78 -24.907 -7.550 -4.102 1.00 0.00 H ATOM 422 HB3 ARG A 78 -23.723 -8.830 -4.455 1.00 0.00 H ATOM 423 HG2 ARG A 78 -24.088 -9.845 -2.278 1.00 0.00 H ATOM 424 HG3 ARG A 78 -25.128 -8.493 -1.774 1.00 0.00 H ATOM 425 HD2 ARG A 78 -25.760 -10.015 -4.288 1.00 0.00 H ATOM 426 HD3 ARG A 78 -26.848 -9.105 -3.213 1.00 0.00 H ATOM 427 HE ARG A 78 -25.714 -11.250 -1.739 1.00 0.00 H ATOM 428 HH12 ARG A 78 -28.882 -12.105 -4.177 1.00 0.00 H ATOM 429 HH11 ARG A 78 -27.900 -10.623 -4.469 1.00 0.00 H ATOM 430 HH22 ARG A 78 -28.363 -13.506 -2.390 1.00 0.00 H ATOM 431 HH21 ARG A 78 -26.980 -13.096 -1.311 1.00 0.00 H ATOM 432 H ARG A 78 -24.481 -5.800 -2.609 1.00 0.00 H ATOM 433 N HIS A 79 -22.529 -5.661 -4.876 1.00 24.02 N ATOM 434 CA HIS A 79 -22.061 -5.274 -6.217 1.00 24.34 C ATOM 435 C HIS A 79 -21.004 -4.196 -6.169 1.00 23.51 C ATOM 436 O HIS A 79 -21.261 -3.124 -5.629 1.00 24.05 O ATOM 437 CB HIS A 79 -23.273 -4.807 -7.018 1.00 25.26 C ATOM 438 CG HIS A 79 -24.296 -5.885 -7.146 1.00 26.48 C ATOM 439 ND1 HIS A 79 -24.021 -7.048 -7.818 1.00 25.34 N ATOM 440 CD2 HIS A 79 -25.522 -6.045 -6.573 1.00 27.57 C ATOM 441 CE1 HIS A 79 -25.052 -7.874 -7.696 1.00 32.10 C ATOM 442 NE2 HIS A 79 -25.980 -7.283 -6.950 1.00 27.91 N ATOM 443 HA HIS A 79 -21.592 -6.135 -6.692 1.00 0.00 H ATOM 444 HB2 HIS A 79 -23.722 -3.951 -6.514 1.00 0.00 H ATOM 445 HB3 HIS A 79 -22.946 -4.510 -8.014 1.00 0.00 H ATOM 446 HD2 HIS A 79 -26.040 -5.327 -5.937 1.00 0.00 H ATOM 447 HE1 HIS A 79 -25.126 -8.870 -8.134 1.00 0.00 H ATOM 448 H HIS A 79 -23.110 -4.999 -4.323 1.00 0.00 H ATOM 449 N ASP A 80 -19.855 -4.442 -6.803 1.00 24.21 N ATOM 450 CA ASP A 80 -18.788 -3.413 -6.861 1.00 23.26 C ATOM 451 C ASP A 80 -19.287 -2.125 -7.454 1.00 22.70 C ATOM 452 O ASP A 80 -20.062 -2.126 -8.437 1.00 23.04 O ATOM 453 CB ASP A 80 -17.551 -3.901 -7.652 1.00 24.66 C ATOM 454 CG ASP A 80 -16.834 -5.100 -6.993 1.00 26.35 C ATOM 455 OD1 ASP A 80 -16.035 -5.695 -7.685 1.00 30.26 O ATOM 456 OD2 ASP A 80 -17.095 -5.471 -5.819 1.00 28.93 O ATOM 457 HA ASP A 80 -18.488 -3.232 -5.829 1.00 0.00 H ATOM 458 HB2 ASP A 80 -17.874 -4.197 -8.650 1.00 0.00 H ATOM 459 HB3 ASP A 80 -16.843 -3.076 -7.731 1.00 0.00 H ATOM 460 H ASP A 80 -19.707 -5.364 -7.261 1.00 0.00 H ATOM 461 N GLY A 81 -18.827 -1.007 -6.906 1.00 20.86 N ATOM 462 CA GLY A 81 -19.348 0.311 -7.296 1.00 21.27 C ATOM 463 C GLY A 81 -20.478 0.869 -6.395 1.00 21.61 C ATOM 464 O GLY A 81 -20.837 2.022 -6.483 1.00 20.45 O ATOM 465 HA3 GLY A 81 -19.734 0.233 -8.312 1.00 0.00 H ATOM 466 HA2 GLY A 81 -18.520 1.020 -7.277 1.00 0.00 H ATOM 467 H GLY A 81 -18.081 -1.065 -6.184 1.00 0.00 H ATOM 468 N ALA A 82 -21.098 0.011 -5.596 1.00 20.47 N ATOM 469 CA ALA A 82 -22.136 0.481 -4.664 1.00 20.76 C ATOM 470 C ALA A 82 -21.443 1.546 -3.778 1.00 18.92 C ATOM 471 O ALA A 82 -20.351 1.324 -3.286 1.00 21.19 O ATOM 472 CB ALA A 82 -22.691 -0.712 -3.806 1.00 19.21 C ATOM 473 HA ALA A 82 -22.996 0.902 -5.186 1.00 0.00 H ATOM 474 HB1 ALA A 82 -23.123 -1.463 -4.467 1.00 0.00 H ATOM 475 HB2 ALA A 82 -21.877 -1.156 -3.233 1.00 0.00 H ATOM 476 HB3 ALA A 82 -23.457 -0.342 -3.124 1.00 0.00 H ATOM 477 H ALA A 82 -20.850 -0.998 -5.628 1.00 0.00 H ATOM 478 N PHE A 83 -22.093 2.670 -3.528 1.00 19.84 N ATOM 479 CA PHE A 83 -21.407 3.861 -2.991 1.00 17.47 C ATOM 480 C PHE A 83 -22.354 4.787 -2.226 1.00 18.12 C ATOM 481 O PHE A 83 -23.638 4.683 -2.310 1.00 20.40 O ATOM 482 CB PHE A 83 -20.855 4.711 -4.150 1.00 18.87 C ATOM 483 CG PHE A 83 -21.922 5.530 -4.871 1.00 20.31 C ATOM 484 CD1 PHE A 83 -22.101 6.887 -4.600 1.00 20.72 C ATOM 485 CD2 PHE A 83 -22.738 4.952 -5.839 1.00 21.28 C ATOM 486 CE1 PHE A 83 -23.082 7.666 -5.274 1.00 19.88 C ATOM 487 CE2 PHE A 83 -23.709 5.706 -6.480 1.00 20.82 C ATOM 488 CZ PHE A 83 -23.889 7.037 -6.237 1.00 18.71 C ATOM 489 HA PHE A 83 -20.628 3.485 -2.329 1.00 0.00 H ATOM 490 HB2 PHE A 83 -20.107 5.396 -3.750 1.00 0.00 H ATOM 491 HB3 PHE A 83 -20.385 4.044 -4.873 1.00 0.00 H ATOM 492 HD2 PHE A 83 -22.613 3.900 -6.095 1.00 0.00 H ATOM 493 HE2 PHE A 83 -24.355 5.216 -7.208 1.00 0.00 H ATOM 494 HZ PHE A 83 -24.646 7.602 -6.781 1.00 0.00 H ATOM 495 HE1 PHE A 83 -23.205 8.725 -5.049 1.00 0.00 H ATOM 496 HD1 PHE A 83 -21.471 7.364 -3.850 1.00 0.00 H ATOM 497 H PHE A 83 -23.115 2.716 -3.715 1.00 0.00 H ATOM 498 N LEU A 84 -21.719 5.701 -1.518 1.00 17.85 N ATOM 499 CA LEU A 84 -22.434 6.775 -0.832 1.00 18.34 C ATOM 500 C LEU A 84 -21.544 8.011 -0.776 1.00 17.38 C ATOM 501 O LEU A 84 -20.296 7.880 -0.913 1.00 19.26 O ATOM 502 CB LEU A 84 -22.870 6.300 0.552 1.00 18.95 C ATOM 503 CG LEU A 84 -21.761 5.912 1.534 1.00 17.53 C ATOM 504 CD1 LEU A 84 -21.330 7.195 2.323 1.00 22.99 C ATOM 505 CD2 LEU A 84 -22.356 4.939 2.526 1.00 23.56 C ATOM 506 HA LEU A 84 -23.339 7.045 -1.376 1.00 0.00 H ATOM 507 HB2 LEU A 84 -23.448 7.103 1.009 1.00 0.00 H ATOM 508 HB3 LEU A 84 -23.508 5.427 0.415 1.00 0.00 H ATOM 509 HG LEU A 84 -20.909 5.479 1.010 1.00 0.00 H ATOM 510 HD21 LEU A 84 -23.182 5.418 3.052 1.00 0.00 H ATOM 511 HD22 LEU A 84 -22.722 4.060 1.996 1.00 0.00 H ATOM 512 HD23 LEU A 84 -21.591 4.640 3.243 1.00 0.00 H ATOM 513 HD11 LEU A 84 -20.963 7.945 1.622 1.00 0.00 H ATOM 514 HD12 LEU A 84 -22.188 7.592 2.866 1.00 0.00 H ATOM 515 HD13 LEU A 84 -20.540 6.938 3.028 1.00 0.00 H ATOM 516 H LEU A 84 -20.682 5.656 -1.446 1.00 0.00 H ATOM 517 N ILE A 85 -22.160 9.191 -0.650 1.00 17.26 N ATOM 518 CA ILE A 85 -21.487 10.429 -0.383 1.00 17.34 C ATOM 519 C ILE A 85 -21.793 10.720 1.068 1.00 17.24 C ATOM 520 O ILE A 85 -22.944 10.607 1.512 1.00 21.04 O ATOM 521 CB ILE A 85 -22.035 11.562 -1.244 1.00 18.66 C ATOM 522 CG1 ILE A 85 -21.577 11.280 -2.708 1.00 18.93 C ATOM 523 CG2 ILE A 85 -21.502 12.913 -0.728 1.00 18.71 C ATOM 524 CD1 ILE A 85 -20.090 11.643 -2.919 1.00 21.09 C ATOM 525 HA ILE A 85 -20.421 10.354 -0.599 1.00 0.00 H ATOM 526 HB ILE A 85 -23.123 11.613 -1.201 1.00 0.00 H ATOM 527 HG12 ILE A 85 -21.717 10.221 -2.925 1.00 0.00 H ATOM 528 HG13 ILE A 85 -22.186 11.873 -3.390 1.00 0.00 H ATOM 529 HD11 ILE A 85 -19.943 12.703 -2.710 1.00 0.00 H ATOM 530 HD12 ILE A 85 -19.473 11.049 -2.245 1.00 0.00 H ATOM 531 HD13 ILE A 85 -19.809 11.432 -3.951 1.00 0.00 H ATOM 532 HG21 ILE A 85 -21.820 13.057 0.304 1.00 0.00 H ATOM 533 HG22 ILE A 85 -20.413 12.915 -0.778 1.00 0.00 H ATOM 534 HG23 ILE A 85 -21.897 13.718 -1.347 1.00 0.00 H ATOM 535 H ILE A 85 -23.195 9.212 -0.752 1.00 0.00 H ATOM 536 N ARG A 86 -20.755 11.046 1.806 1.00 18.33 N ATOM 537 CA ARG A 86 -20.902 11.478 3.228 1.00 18.73 C ATOM 538 C ARG A 86 -20.158 12.765 3.497 1.00 19.73 C ATOM 539 O ARG A 86 -19.301 13.212 2.714 1.00 19.84 O ATOM 540 CB ARG A 86 -20.348 10.382 4.167 1.00 16.89 C ATOM 541 CG ARG A 86 -18.882 9.971 3.890 1.00 17.34 C ATOM 542 CD ARG A 86 -18.437 8.782 4.729 1.00 17.19 C ATOM 543 NE ARG A 86 -17.127 8.352 4.307 1.00 18.80 N ATOM 544 CZ ARG A 86 -15.978 8.909 4.676 1.00 18.63 C ATOM 545 NH1 ARG A 86 -15.973 9.844 5.633 1.00 21.81 N ATOM 546 NH2 ARG A 86 -14.828 8.464 4.182 1.00 18.76 N ATOM 547 HA ARG A 86 -21.963 11.642 3.414 1.00 0.00 H ATOM 548 HB2 ARG A 86 -20.410 10.750 5.191 1.00 0.00 H ATOM 549 HB3 ARG A 86 -20.975 9.496 4.062 1.00 0.00 H ATOM 550 HG2 ARG A 86 -18.786 9.710 2.836 1.00 0.00 H ATOM 551 HG3 ARG A 86 -18.234 10.818 4.114 1.00 0.00 H ATOM 552 HD2 ARG A 86 -19.146 7.963 4.602 1.00 0.00 H ATOM 553 HD3 ARG A 86 -18.403 9.072 5.779 1.00 0.00 H ATOM 554 HE ARG A 86 -17.077 7.539 3.661 1.00 0.00 H ATOM 555 HH12 ARG A 86 -15.077 10.283 5.926 1.00 0.00 H ATOM 556 HH11 ARG A 86 -16.865 10.131 6.084 1.00 0.00 H ATOM 557 HH22 ARG A 86 -13.932 8.903 4.474 1.00 0.00 H ATOM 558 HH21 ARG A 86 -14.824 7.676 3.503 1.00 0.00 H ATOM 559 H ARG A 86 -19.804 11.002 1.387 1.00 0.00 H ATOM 560 N GLU A 87 -20.482 13.390 4.618 1.00 20.14 N ATOM 561 CA GLU A 87 -19.835 14.651 5.022 1.00 20.59 C ATOM 562 C GLU A 87 -18.705 14.218 5.959 1.00 21.24 C ATOM 563 O GLU A 87 -18.990 13.600 6.975 1.00 22.33 O ATOM 564 CB GLU A 87 -20.870 15.541 5.712 1.00 20.95 C ATOM 565 CG GLU A 87 -22.142 15.732 4.875 1.00 21.56 C ATOM 566 CD GLU A 87 -23.004 16.882 5.352 1.00 21.57 C ATOM 567 OE1 GLU A 87 -22.635 18.049 5.116 1.00 24.12 O ATOM 568 OE2 GLU A 87 -24.076 16.601 5.942 1.00 22.56 O ATOM 569 HA GLU A 87 -19.438 15.236 4.192 1.00 0.00 H ATOM 570 HB2 GLU A 87 -21.144 15.084 6.663 1.00 0.00 H ATOM 571 HB3 GLU A 87 -20.423 16.518 5.895 1.00 0.00 H ATOM 572 HG2 GLU A 87 -21.852 15.922 3.842 1.00 0.00 H ATOM 573 HG3 GLU A 87 -22.730 14.815 4.923 1.00 0.00 H ATOM 574 H GLU A 87 -21.214 12.979 5.231 1.00 0.00 H ATOM 575 N SER A 88 -17.466 14.542 5.627 1.00 19.49 N ATOM 576 CA SER A 88 -16.271 14.075 6.336 1.00 19.84 C ATOM 577 C SER A 88 -16.346 14.610 7.758 1.00 20.85 C ATOM 578 O SER A 88 -16.746 15.768 7.965 1.00 21.00 O ATOM 579 CB SER A 88 -15.017 14.689 5.743 1.00 18.43 C ATOM 580 OG SER A 88 -13.853 14.216 6.442 1.00 21.81 O ATOM 581 HA SER A 88 -16.233 12.987 6.275 1.00 0.00 H ATOM 582 HB2 SER A 88 -15.072 15.774 5.829 1.00 0.00 H ATOM 583 HB3 SER A 88 -14.943 14.412 4.691 1.00 0.00 H ATOM 584 HG SER A 88 -13.800 13.231 6.363 1.00 0.00 H ATOM 585 H SER A 88 -17.331 15.170 4.809 1.00 0.00 H ATOM 586 N GLU A 89 -16.004 13.749 8.695 1.00 21.97 N ATOM 587 CA GLU A 89 -15.840 14.197 10.058 1.00 24.41 C ATOM 588 C GLU A 89 -14.408 14.717 10.286 1.00 24.48 C ATOM 589 O GLU A 89 -14.189 15.595 11.135 1.00 25.49 O ATOM 590 CB GLU A 89 -16.088 13.024 10.979 1.00 23.71 C ATOM 591 CG GLU A 89 -17.463 12.428 10.883 1.00 26.64 C ATOM 592 CD GLU A 89 -17.742 11.494 12.079 1.00 30.56 C ATOM 593 OE1 GLU A 89 -18.632 11.807 12.874 1.00 30.81 O ATOM 594 OE2 GLU A 89 -17.065 10.471 12.249 1.00 31.11 O ATOM 595 HA GLU A 89 -16.544 15.005 10.259 1.00 0.00 H ATOM 596 HB2 GLU A 89 -15.363 12.246 10.740 1.00 0.00 H ATOM 597 HB3 GLU A 89 -15.934 13.359 12.005 1.00 0.00 H ATOM 598 HG2 GLU A 89 -18.201 13.230 10.877 1.00 0.00 H ATOM 599 HG3 GLU A 89 -17.541 11.857 9.958 1.00 0.00 H ATOM 600 H GLU A 89 -15.852 12.749 8.453 1.00 0.00 H ATOM 601 N SER A 90 -13.452 14.177 9.557 1.00 24.53 N ATOM 602 CA SER A 90 -12.056 14.581 9.745 1.00 27.11 C ATOM 603 C SER A 90 -11.747 15.915 9.053 1.00 28.12 C ATOM 604 O SER A 90 -10.827 16.632 9.460 1.00 29.00 O ATOM 605 CB SER A 90 -11.092 13.489 9.329 1.00 27.31 C ATOM 606 OG SER A 90 -11.117 13.384 7.934 1.00 27.73 O ATOM 607 HA SER A 90 -11.912 14.740 10.814 1.00 0.00 H ATOM 608 HB2 SER A 90 -11.394 12.541 9.775 1.00 0.00 H ATOM 609 HB3 SER A 90 -10.085 13.741 9.661 1.00 0.00 H ATOM 610 HG SER A 90 -12.034 13.157 7.638 1.00 0.00 H ATOM 611 H SER A 90 -13.690 13.459 8.843 1.00 0.00 H ATOM 612 N ALA A 91 -12.566 16.283 8.080 1.00 28.26 N ATOM 613 CA ALA A 91 -12.397 17.564 7.365 1.00 27.59 C ATOM 614 C ALA A 91 -13.767 18.185 7.244 1.00 28.12 C ATOM 615 O ALA A 91 -14.382 18.160 6.172 1.00 26.88 O ATOM 616 CB ALA A 91 -11.779 17.298 5.954 1.00 28.49 C ATOM 617 HA ALA A 91 -11.725 18.235 7.900 1.00 0.00 H ATOM 618 HB1 ALA A 91 -10.808 16.815 6.069 1.00 0.00 H ATOM 619 HB2 ALA A 91 -12.444 16.649 5.384 1.00 0.00 H ATOM 620 HB3 ALA A 91 -11.655 18.245 5.429 1.00 0.00 H ATOM 621 H ALA A 91 -13.349 15.653 7.812 1.00 0.00 H ATOM 622 N PRO A 92 -14.301 18.742 8.361 1.00 28.47 N ATOM 623 CA PRO A 92 -15.666 19.325 8.310 1.00 27.68 C ATOM 624 C PRO A 92 -15.806 20.352 7.207 1.00 27.05 C ATOM 625 O PRO A 92 -14.920 21.197 7.039 1.00 28.15 O ATOM 626 CB PRO A 92 -15.828 20.053 9.665 1.00 28.65 C ATOM 627 CG PRO A 92 -14.692 19.551 10.547 1.00 29.91 C ATOM 628 CD PRO A 92 -13.651 18.870 9.684 1.00 28.04 C ATOM 629 HA PRO A 92 -16.407 18.548 8.123 1.00 0.00 H ATOM 630 HD3 PRO A 92 -12.749 19.478 9.614 1.00 0.00 H ATOM 631 HD2 PRO A 92 -13.397 17.889 10.086 1.00 0.00 H ATOM 632 HG3 PRO A 92 -15.083 18.840 11.275 1.00 0.00 H ATOM 633 HG2 PRO A 92 -14.238 20.393 11.070 1.00 0.00 H ATOM 634 HB2 PRO A 92 -15.753 21.132 9.528 1.00 0.00 H ATOM 635 HB3 PRO A 92 -16.792 19.811 10.113 1.00 0.00 H ATOM 636 N GLY A 93 -16.873 20.249 6.420 1.00 24.28 N ATOM 637 CA GLY A 93 -17.118 21.163 5.331 1.00 24.64 C ATOM 638 C GLY A 93 -16.804 20.470 4.001 1.00 24.80 C ATOM 639 O GLY A 93 -17.160 21.000 2.936 1.00 26.01 O ATOM 640 HA3 GLY A 93 -16.481 22.041 5.443 1.00 0.00 H ATOM 641 HA2 GLY A 93 -18.164 21.470 5.343 1.00 0.00 H ATOM 642 H GLY A 93 -17.554 19.483 6.596 1.00 0.00 H ATOM 643 N ASP A 94 -16.130 19.303 4.064 1.00 23.89 N ATOM 644 CA ASP A 94 -15.749 18.562 2.833 1.00 22.71 C ATOM 645 C ASP A 94 -16.527 17.264 2.745 1.00 20.75 C ATOM 646 O ASP A 94 -16.917 16.654 3.763 1.00 21.43 O ATOM 647 CB ASP A 94 -14.260 18.214 2.827 1.00 23.07 C ATOM 648 CG ASP A 94 -13.344 19.407 2.416 1.00 29.01 C ATOM 649 OD1 ASP A 94 -13.770 20.581 2.335 1.00 33.63 O ATOM 650 OD2 ASP A 94 -12.179 19.102 2.118 1.00 34.97 O ATOM 651 HA ASP A 94 -15.975 19.209 1.986 1.00 0.00 H ATOM 652 HB2 ASP A 94 -13.977 17.890 3.829 1.00 0.00 H ATOM 653 HB3 ASP A 94 -14.099 17.397 2.124 1.00 0.00 H ATOM 654 H ASP A 94 -15.872 18.914 4.993 1.00 0.00 H ATOM 655 N PHE A 95 -16.733 16.784 1.526 1.00 19.73 N ATOM 656 CA PHE A 95 -17.422 15.559 1.362 1.00 18.43 C ATOM 657 C PHE A 95 -16.395 14.481 1.017 1.00 19.48 C ATOM 658 O PHE A 95 -15.325 14.745 0.410 1.00 21.16 O ATOM 659 CB PHE A 95 -18.485 15.662 0.212 1.00 18.20 C ATOM 660 CG PHE A 95 -19.523 16.700 0.459 1.00 19.22 C ATOM 661 CD1 PHE A 95 -19.355 18.011 -0.007 1.00 21.79 C ATOM 662 CD2 PHE A 95 -20.648 16.404 1.188 1.00 19.92 C ATOM 663 CE1 PHE A 95 -20.313 18.985 0.297 1.00 22.52 C ATOM 664 CE2 PHE A 95 -21.572 17.392 1.513 1.00 21.96 C ATOM 665 CZ PHE A 95 -21.414 18.654 1.061 1.00 20.22 C ATOM 666 HA PHE A 95 -17.949 15.312 2.284 1.00 0.00 H ATOM 667 HB2 PHE A 95 -17.968 15.904 -0.717 1.00 0.00 H ATOM 668 HB3 PHE A 95 -18.979 14.696 0.110 1.00 0.00 H ATOM 669 HD2 PHE A 95 -20.820 15.379 1.517 1.00 0.00 H ATOM 670 HE2 PHE A 95 -22.430 17.145 2.138 1.00 0.00 H ATOM 671 HZ PHE A 95 -22.158 19.414 1.300 1.00 0.00 H ATOM 672 HE1 PHE A 95 -20.190 20.004 -0.069 1.00 0.00 H ATOM 673 HD1 PHE A 95 -18.481 18.271 -0.604 1.00 0.00 H ATOM 674 H PHE A 95 -16.390 17.306 0.694 1.00 0.00 H ATOM 675 N SER A 96 -16.776 13.259 1.318 1.00 19.69 N ATOM 676 CA SER A 96 -16.062 12.103 0.855 1.00 19.51 C ATOM 677 C SER A 96 -16.998 11.103 0.172 1.00 19.86 C ATOM 678 O SER A 96 -18.184 10.942 0.532 1.00 21.24 O ATOM 679 CB SER A 96 -15.423 11.408 2.076 1.00 20.23 C ATOM 680 OG SER A 96 -14.541 12.284 2.769 1.00 22.16 O ATOM 681 HA SER A 96 -15.311 12.425 0.134 1.00 0.00 H ATOM 682 HB2 SER A 96 -14.863 10.537 1.736 1.00 0.00 H ATOM 683 HB3 SER A 96 -16.213 11.088 2.756 1.00 0.00 H ATOM 684 HG SER A 96 -14.149 11.810 3.544 1.00 0.00 H ATOM 685 H SER A 96 -17.621 13.126 1.910 1.00 0.00 H ATOM 686 N LEU A 97 -16.423 10.345 -0.754 1.00 19.36 N ATOM 687 CA LEU A 97 -17.161 9.327 -1.489 1.00 18.38 C ATOM 688 C LEU A 97 -16.612 7.963 -1.047 1.00 18.96 C ATOM 689 O LEU A 97 -15.366 7.710 -1.051 1.00 21.10 O ATOM 690 CB LEU A 97 -16.915 9.595 -3.010 1.00 17.73 C ATOM 691 CG LEU A 97 -17.322 8.467 -3.911 1.00 18.74 C ATOM 692 CD1 LEU A 97 -18.799 8.284 -4.046 1.00 21.80 C ATOM 693 CD2 LEU A 97 -16.671 8.812 -5.366 1.00 19.58 C ATOM 694 HA LEU A 97 -18.234 9.346 -1.300 1.00 0.00 H ATOM 695 HB2 LEU A 97 -17.481 10.482 -3.296 1.00 0.00 H ATOM 696 HB3 LEU A 97 -15.851 9.782 -3.156 1.00 0.00 H ATOM 697 HG LEU A 97 -16.967 7.528 -3.485 1.00 0.00 H ATOM 698 HD21 LEU A 97 -17.062 9.766 -5.721 1.00 0.00 H ATOM 699 HD22 LEU A 97 -15.587 8.875 -5.272 1.00 0.00 H ATOM 700 HD23 LEU A 97 -16.930 8.025 -6.074 1.00 0.00 H ATOM 701 HD11 LEU A 97 -19.230 8.079 -3.066 1.00 0.00 H ATOM 702 HD12 LEU A 97 -19.241 9.193 -4.455 1.00 0.00 H ATOM 703 HD13 LEU A 97 -19.001 7.447 -4.715 1.00 0.00 H ATOM 704 H LEU A 97 -15.413 10.483 -0.961 1.00 0.00 H ATOM 705 N SER A 98 -17.497 7.070 -0.624 1.00 19.02 N ATOM 706 CA SER A 98 -17.089 5.748 -0.204 1.00 17.18 C ATOM 707 C SER A 98 -17.684 4.704 -1.173 1.00 18.47 C ATOM 708 O SER A 98 -18.843 4.804 -1.481 1.00 18.85 O ATOM 709 CB SER A 98 -17.608 5.533 1.227 1.00 18.68 C ATOM 710 OG SER A 98 -16.965 6.456 2.075 1.00 17.97 O ATOM 711 HA SER A 98 -16.004 5.642 -0.218 1.00 0.00 H ATOM 712 HB2 SER A 98 -17.385 4.517 1.551 1.00 0.00 H ATOM 713 HB3 SER A 98 -18.686 5.694 1.256 1.00 0.00 H ATOM 714 HG SER A 98 -15.987 6.307 2.042 1.00 0.00 H ATOM 715 H SER A 98 -18.505 7.326 -0.594 1.00 0.00 H ATOM 716 N VAL A 99 -16.866 3.745 -1.631 1.00 18.46 N ATOM 717 CA VAL A 99 -17.262 2.824 -2.691 1.00 19.90 C ATOM 718 C VAL A 99 -16.879 1.380 -2.392 1.00 20.50 C ATOM 719 O VAL A 99 -15.722 1.098 -2.026 1.00 22.57 O ATOM 720 CB VAL A 99 -16.615 3.248 -4.076 1.00 18.63 C ATOM 721 CG1 VAL A 99 -17.337 2.470 -5.226 1.00 23.89 C ATOM 722 CG2 VAL A 99 -16.696 4.786 -4.300 1.00 22.63 C ATOM 723 HA VAL A 99 -18.349 2.882 -2.749 1.00 0.00 H ATOM 724 HB VAL A 99 -15.556 2.991 -4.069 1.00 0.00 H ATOM 725 HG11 VAL A 99 -17.213 1.398 -5.071 1.00 0.00 H ATOM 726 HG12 VAL A 99 -18.398 2.719 -5.221 1.00 0.00 H ATOM 727 HG13 VAL A 99 -16.901 2.753 -6.184 1.00 0.00 H ATOM 728 HG21 VAL A 99 -17.740 5.098 -4.298 1.00 0.00 H ATOM 729 HG22 VAL A 99 -16.161 5.297 -3.499 1.00 0.00 H ATOM 730 HG23 VAL A 99 -16.243 5.037 -5.259 1.00 0.00 H ATOM 731 H VAL A 99 -15.917 3.655 -1.216 1.00 0.00 H ATOM 732 N LYS A 100 -17.823 0.438 -2.589 1.00 22.47 N ATOM 733 CA LYS A 100 -17.527 -0.986 -2.436 1.00 23.39 C ATOM 734 C LYS A 100 -16.657 -1.476 -3.590 1.00 25.37 C ATOM 735 O LYS A 100 -17.047 -1.321 -4.751 1.00 24.10 O ATOM 736 CB LYS A 100 -18.777 -1.846 -2.443 1.00 22.44 C ATOM 737 CG LYS A 100 -18.442 -3.350 -2.041 1.00 23.69 C ATOM 738 CD LYS A 100 -19.382 -4.275 -2.567 1.00 30.16 C ATOM 739 CE LYS A 100 -18.843 -5.695 -2.617 1.00 32.98 C ATOM 740 NZ LYS A 100 -18.577 -6.260 -1.261 1.00 37.90 N ATOM 741 HA LYS A 100 -17.021 -1.081 -1.475 1.00 0.00 H ATOM 742 HB2 LYS A 100 -19.494 -1.438 -1.730 1.00 0.00 H ATOM 743 HB3 LYS A 100 -19.213 -1.833 -3.442 1.00 0.00 H ATOM 744 HG2 LYS A 100 -17.452 -3.602 -2.422 1.00 0.00 H ATOM 745 HG3 LYS A 100 -18.443 -3.430 -0.954 1.00 0.00 H ATOM 746 HD2 LYS A 100 -20.273 -4.262 -1.939 1.00 0.00 H ATOM 747 HD3 LYS A 100 -19.647 -3.966 -3.578 1.00 0.00 H ATOM 748 HE2 LYS A 100 -17.912 -5.695 -3.184 1.00 0.00 H ATOM 749 HE3 LYS A 100 -19.573 -6.328 -3.121 1.00 0.00 H ATOM 750 HZ1 LYS A 100 -17.874 -5.669 -0.772 1.00 0.00 H ATOM 751 HZ2 LYS A 100 -19.461 -6.274 -0.713 1.00 0.00 H ATOM 752 HZ3 LYS A 100 -18.211 -7.229 -1.356 1.00 0.00 H ATOM 753 H LYS A 100 -18.785 0.731 -2.856 1.00 0.00 H ATOM 754 N PHE A 101 -15.541 -2.110 -3.244 1.00 26.12 N ATOM 755 CA PHE A 101 -14.797 -2.888 -4.236 1.00 29.18 C ATOM 756 C PHE A 101 -14.297 -4.218 -3.655 1.00 31.10 C ATOM 757 O PHE A 101 -13.406 -4.235 -2.796 1.00 29.64 O ATOM 758 CB PHE A 101 -13.587 -2.139 -4.766 1.00 29.83 C ATOM 759 CG PHE A 101 -12.866 -2.939 -5.832 1.00 32.35 C ATOM 760 CD1 PHE A 101 -11.527 -3.327 -5.677 1.00 36.33 C ATOM 761 CD2 PHE A 101 -13.574 -3.366 -6.940 1.00 29.71 C ATOM 762 CE1 PHE A 101 -10.885 -4.112 -6.648 1.00 36.79 C ATOM 763 CE2 PHE A 101 -12.945 -4.158 -7.929 1.00 34.68 C ATOM 764 CZ PHE A 101 -11.614 -4.520 -7.786 1.00 33.20 C ATOM 765 HA PHE A 101 -15.502 -3.070 -5.047 1.00 0.00 H ATOM 766 HB2 PHE A 101 -13.915 -1.192 -5.194 1.00 0.00 H ATOM 767 HB3 PHE A 101 -12.900 -1.945 -3.942 1.00 0.00 H ATOM 768 HD2 PHE A 101 -14.623 -3.091 -7.052 1.00 0.00 H ATOM 769 HE2 PHE A 101 -13.507 -4.484 -8.804 1.00 0.00 H ATOM 770 HZ PHE A 101 -11.129 -5.122 -8.555 1.00 0.00 H ATOM 771 HE1 PHE A 101 -9.841 -4.402 -6.525 1.00 0.00 H ATOM 772 HD1 PHE A 101 -10.977 -3.014 -4.790 1.00 0.00 H ATOM 773 H PHE A 101 -15.195 -2.053 -2.265 1.00 0.00 H ATOM 774 N GLY A 102 -14.804 -5.339 -4.138 1.00 32.73 N ATOM 775 CA GLY A 102 -14.427 -6.620 -3.553 1.00 34.18 C ATOM 776 C GLY A 102 -14.698 -6.624 -2.046 1.00 35.12 C ATOM 777 O GLY A 102 -15.785 -6.239 -1.563 1.00 35.41 O ATOM 778 HA3 GLY A 102 -13.365 -6.795 -3.727 1.00 0.00 H ATOM 779 HA2 GLY A 102 -15.007 -7.414 -4.024 1.00 0.00 H ATOM 780 H GLY A 102 -15.471 -5.307 -4.935 1.00 0.00 H ATOM 781 N ASN A 103 -13.683 -7.008 -1.285 1.00 35.24 N ATOM 782 CA ASN A 103 -13.814 -7.082 0.183 1.00 35.56 C ATOM 783 C ASN A 103 -13.285 -5.804 0.852 1.00 33.82 C ATOM 784 O ASN A 103 -13.161 -5.711 2.095 1.00 34.78 O ATOM 785 CB ASN A 103 -13.074 -8.335 0.665 1.00 36.81 C ATOM 786 CG ASN A 103 -13.477 -9.628 -0.188 1.00 42.57 C ATOM 787 OD1 ASN A 103 -14.671 -9.994 -0.301 1.00 44.17 O ATOM 788 ND2 ASN A 103 -12.486 -10.247 -0.817 1.00 44.88 N ATOM 789 HA ASN A 103 -14.865 -7.156 0.464 1.00 0.00 H ATOM 790 HB2 ASN A 103 -12.001 -8.170 0.570 1.00 0.00 H ATOM 791 HB3 ASN A 103 -13.322 -8.511 1.712 1.00 0.00 H ATOM 792 HD22 ASN A 103 -11.508 -9.915 -0.699 1.00 0.00 H ATOM 793 HD21 ASN A 103 -12.688 -11.064 -1.428 1.00 0.00 H ATOM 794 H ASN A 103 -12.778 -7.262 -1.730 1.00 0.00 H ATOM 795 N ASP A 104 -12.992 -4.802 0.035 1.00 31.96 N ATOM 796 CA ASP A 104 -12.525 -3.530 0.524 1.00 30.07 C ATOM 797 C ASP A 104 -13.615 -2.489 0.369 1.00 28.35 C ATOM 798 O ASP A 104 -14.545 -2.674 -0.375 1.00 28.11 O ATOM 799 CB ASP A 104 -11.316 -3.045 -0.282 1.00 30.57 C ATOM 800 CG ASP A 104 -10.088 -3.838 -0.028 1.00 33.11 C ATOM 801 OD1 ASP A 104 -9.829 -4.184 1.129 1.00 34.64 O ATOM 802 OD2 ASP A 104 -9.365 -4.126 -0.981 1.00 34.77 O ATOM 803 HA ASP A 104 -12.250 -3.660 1.571 1.00 0.00 H ATOM 804 HB2 ASP A 104 -11.558 -3.110 -1.343 1.00 0.00 H ATOM 805 HB3 ASP A 104 -11.118 -2.006 -0.019 1.00 0.00 H ATOM 806 H ASP A 104 -13.103 -4.938 -0.990 1.00 0.00 H ATOM 807 N VAL A 105 -13.443 -1.366 1.020 1.00 26.15 N ATOM 808 CA VAL A 105 -14.238 -0.182 0.640 1.00 23.72 C ATOM 809 C VAL A 105 -13.216 0.900 0.404 1.00 24.41 C ATOM 810 O VAL A 105 -12.279 1.119 1.263 1.00 25.04 O ATOM 811 CB VAL A 105 -15.218 0.270 1.771 1.00 22.03 C ATOM 812 CG1 VAL A 105 -15.857 1.648 1.497 1.00 21.71 C ATOM 813 CG2 VAL A 105 -16.251 -0.731 1.952 1.00 22.14 C ATOM 814 HA VAL A 105 -14.860 -0.398 -0.229 1.00 0.00 H ATOM 815 HB VAL A 105 -14.631 0.372 2.683 1.00 0.00 H ATOM 816 HG11 VAL A 105 -15.073 2.401 1.416 1.00 0.00 H ATOM 817 HG12 VAL A 105 -16.421 1.607 0.565 1.00 0.00 H ATOM 818 HG13 VAL A 105 -16.527 1.906 2.317 1.00 0.00 H ATOM 819 HG21 VAL A 105 -16.805 -0.853 1.021 1.00 0.00 H ATOM 820 HG22 VAL A 105 -15.791 -1.680 2.229 1.00 0.00 H ATOM 821 HG23 VAL A 105 -16.931 -0.411 2.741 1.00 0.00 H ATOM 822 H VAL A 105 -12.754 -1.309 1.797 1.00 0.00 H ATOM 823 N GLN A 106 -13.290 1.579 -0.732 1.00 21.38 N ATOM 824 CA GLN A 106 -12.323 2.605 -1.043 1.00 22.61 C ATOM 825 C GLN A 106 -13.009 3.982 -0.725 1.00 22.96 C ATOM 826 O GLN A 106 -14.238 4.160 -0.946 1.00 23.69 O ATOM 827 CB GLN A 106 -11.985 2.562 -2.556 1.00 23.78 C ATOM 828 CG GLN A 106 -11.605 1.213 -2.973 1.00 26.21 C ATOM 829 CD GLN A 106 -10.885 1.150 -4.271 1.00 32.56 C ATOM 830 OE1 GLN A 106 -10.460 0.075 -4.668 1.00 35.23 O ATOM 831 NE2 GLN A 106 -10.744 2.268 -4.947 1.00 29.43 N ATOM 832 HA GLN A 106 -11.408 2.463 -0.468 1.00 0.00 H ATOM 833 HB2 GLN A 106 -12.859 2.878 -3.125 1.00 0.00 H ATOM 834 HB3 GLN A 106 -11.158 3.243 -2.756 1.00 0.00 H ATOM 835 HG2 GLN A 106 -10.960 0.788 -2.204 1.00 0.00 H ATOM 836 HG3 GLN A 106 -12.512 0.614 -3.057 1.00 0.00 H ATOM 837 HE22 GLN A 106 -11.124 3.158 -4.566 1.00 0.00 H ATOM 838 HE21 GLN A 106 -10.252 2.263 -5.863 1.00 0.00 H ATOM 839 H GLN A 106 -14.053 1.370 -1.407 1.00 0.00 H ATOM 840 N HIS A 107 -12.200 4.939 -0.283 1.00 21.63 N ATOM 841 CA HIS A 107 -12.629 6.288 -0.044 1.00 20.26 C ATOM 842 C HIS A 107 -11.926 7.303 -0.905 1.00 19.55 C ATOM 843 O HIS A 107 -10.720 7.237 -1.098 1.00 21.71 O ATOM 844 CB HIS A 107 -12.371 6.679 1.391 1.00 21.67 C ATOM 845 CG HIS A 107 -12.970 5.710 2.350 1.00 22.38 C ATOM 846 ND1 HIS A 107 -14.297 5.770 2.717 1.00 22.58 N ATOM 847 CD2 HIS A 107 -12.452 4.611 2.952 1.00 22.21 C ATOM 848 CE1 HIS A 107 -14.562 4.772 3.544 1.00 19.99 C ATOM 849 NE2 HIS A 107 -13.456 4.063 3.715 1.00 20.69 N ATOM 850 HA HIS A 107 -13.692 6.295 -0.285 1.00 0.00 H ATOM 851 HB2 HIS A 107 -11.294 6.719 1.557 1.00 0.00 H ATOM 852 HB3 HIS A 107 -12.802 7.664 1.570 1.00 0.00 H ATOM 853 HD2 HIS A 107 -11.434 4.234 2.850 1.00 0.00 H ATOM 854 HE1 HIS A 107 -15.528 4.568 4.007 1.00 0.00 H ATOM 855 H HIS A 107 -11.205 4.698 -0.101 1.00 0.00 H ATOM 856 N PHE A 108 -12.678 8.294 -1.393 1.00 21.79 N ATOM 857 CA PHE A 108 -12.106 9.382 -2.247 1.00 20.74 C ATOM 858 C PHE A 108 -12.523 10.706 -1.614 1.00 21.99 C ATOM 859 O PHE A 108 -13.651 10.835 -1.152 1.00 22.13 O ATOM 860 CB PHE A 108 -12.652 9.354 -3.718 1.00 22.23 C ATOM 861 CG PHE A 108 -12.405 8.027 -4.397 1.00 19.16 C ATOM 862 CD1 PHE A 108 -13.238 6.940 -4.155 1.00 22.44 C ATOM 863 CD2 PHE A 108 -11.277 7.856 -5.165 1.00 23.62 C ATOM 864 CE1 PHE A 108 -12.960 5.706 -4.689 1.00 22.22 C ATOM 865 CE2 PHE A 108 -10.988 6.625 -5.696 1.00 23.09 C ATOM 866 CZ PHE A 108 -11.788 5.560 -5.467 1.00 22.44 C ATOM 867 HA PHE A 108 -11.025 9.249 -2.299 1.00 0.00 H ATOM 868 HB2 PHE A 108 -13.725 9.543 -3.697 1.00 0.00 H ATOM 869 HB3 PHE A 108 -12.157 10.138 -4.291 1.00 0.00 H ATOM 870 HD2 PHE A 108 -10.612 8.699 -5.352 1.00 0.00 H ATOM 871 HE2 PHE A 108 -10.098 6.503 -6.313 1.00 0.00 H ATOM 872 HZ PHE A 108 -11.529 4.586 -5.883 1.00 0.00 H ATOM 873 HE1 PHE A 108 -13.626 4.860 -4.518 1.00 0.00 H ATOM 874 HD1 PHE A 108 -14.124 7.069 -3.533 1.00 0.00 H ATOM 875 H PHE A 108 -13.694 8.310 -1.172 1.00 0.00 H ATOM 876 N LYS A 109 -11.576 11.659 -1.575 1.00 21.51 N ATOM 877 CA LYS A 109 -11.850 13.034 -1.226 1.00 21.60 C ATOM 878 C LYS A 109 -12.639 13.688 -2.352 1.00 22.33 C ATOM 879 O LYS A 109 -12.224 13.542 -3.525 1.00 22.16 O ATOM 880 CB LYS A 109 -10.531 13.817 -1.071 1.00 21.78 C ATOM 881 CG LYS A 109 -9.538 13.188 -0.137 1.00 22.76 C ATOM 882 CD LYS A 109 -8.466 14.263 0.073 1.00 22.49 C ATOM 883 CE LYS A 109 -7.355 14.097 -0.920 1.00 29.63 C ATOM 884 NZ LYS A 109 -6.179 14.985 -0.583 1.00 29.84 N ATOM 885 HA LYS A 109 -12.410 13.049 -0.291 1.00 0.00 H ATOM 886 HB2 LYS A 109 -10.068 13.901 -2.054 1.00 0.00 H ATOM 887 HB3 LYS A 109 -10.768 14.813 -0.696 1.00 0.00 H ATOM 888 HG2 LYS A 109 -10.012 12.927 0.809 1.00 0.00 H ATOM 889 HG3 LYS A 109 -9.103 12.293 -0.583 1.00 0.00 H ATOM 890 HD2 LYS A 109 -8.916 15.248 -0.053 1.00 0.00 H ATOM 891 HD3 LYS A 109 -8.062 14.175 1.082 1.00 0.00 H ATOM 892 HE2 LYS A 109 -7.724 14.357 -1.912 1.00 0.00 H ATOM 893 HE3 LYS A 109 -7.028 13.057 -0.916 1.00 0.00 H ATOM 894 HZ1 LYS A 109 -6.484 15.979 -0.590 1.00 0.00 H ATOM 895 HZ2 LYS A 109 -5.819 14.738 0.361 1.00 0.00 H ATOM 896 HZ3 LYS A 109 -5.428 14.846 -1.289 1.00 0.00 H ATOM 897 H LYS A 109 -10.598 11.394 -1.808 1.00 0.00 H ATOM 898 N VAL A 110 -13.746 14.367 -2.034 1.00 20.22 N ATOM 899 CA VAL A 110 -14.370 15.300 -2.983 1.00 21.35 C ATOM 900 C VAL A 110 -13.617 16.609 -2.902 1.00 22.50 C ATOM 901 O VAL A 110 -13.737 17.344 -1.894 1.00 23.62 O ATOM 902 CB VAL A 110 -15.911 15.412 -2.808 1.00 19.86 C ATOM 903 CG1 VAL A 110 -16.522 16.367 -3.847 1.00 18.76 C ATOM 904 CG2 VAL A 110 -16.537 14.015 -2.956 1.00 20.39 C ATOM 905 HA VAL A 110 -14.284 14.920 -4.001 1.00 0.00 H ATOM 906 HB VAL A 110 -16.120 15.815 -1.817 1.00 0.00 H ATOM 907 HG11 VAL A 110 -16.085 17.359 -3.728 1.00 0.00 H ATOM 908 HG12 VAL A 110 -16.312 15.994 -4.849 1.00 0.00 H ATOM 909 HG13 VAL A 110 -17.600 16.423 -3.697 1.00 0.00 H ATOM 910 HG21 VAL A 110 -16.307 13.618 -3.945 1.00 0.00 H ATOM 911 HG22 VAL A 110 -16.128 13.352 -2.193 1.00 0.00 H ATOM 912 HG23 VAL A 110 -17.618 14.088 -2.834 1.00 0.00 H ATOM 913 H VAL A 110 -14.174 14.232 -1.096 1.00 0.00 H ATOM 914 N LEU A 111 -12.840 16.901 -3.953 1.00 22.97 N ATOM 915 CA LEU A 111 -12.000 18.088 -3.993 1.00 23.52 C ATOM 916 C LEU A 111 -12.759 19.266 -4.575 1.00 25.22 C ATOM 917 O LEU A 111 -13.718 19.093 -5.332 1.00 24.28 O ATOM 918 CB LEU A 111 -10.693 17.806 -4.780 1.00 23.06 C ATOM 919 CG LEU A 111 -9.886 16.635 -4.230 1.00 24.33 C ATOM 920 CD1 LEU A 111 -8.737 16.360 -5.120 1.00 25.45 C ATOM 921 CD2 LEU A 111 -9.388 17.036 -2.863 1.00 24.05 C ATOM 922 HA LEU A 111 -11.722 18.350 -2.972 1.00 0.00 H ATOM 923 HB2 LEU A 111 -10.955 17.588 -5.815 1.00 0.00 H ATOM 924 HB3 LEU A 111 -10.070 18.700 -4.745 1.00 0.00 H ATOM 925 HG LEU A 111 -10.499 15.736 -4.170 1.00 0.00 H ATOM 926 HD21 LEU A 111 -8.763 17.924 -2.952 1.00 0.00 H ATOM 927 HD22 LEU A 111 -10.239 17.252 -2.217 1.00 0.00 H ATOM 928 HD23 LEU A 111 -8.804 16.220 -2.437 1.00 0.00 H ATOM 929 HD11 LEU A 111 -9.102 16.112 -6.117 1.00 0.00 H ATOM 930 HD12 LEU A 111 -8.101 17.244 -5.174 1.00 0.00 H ATOM 931 HD13 LEU A 111 -8.164 15.523 -4.723 1.00 0.00 H ATOM 932 H LEU A 111 -12.837 16.257 -4.769 1.00 0.00 H ATOM 933 N ARG A 112 -12.338 20.486 -4.197 1.00 25.20 N ATOM 934 CA ARG A 112 -12.914 21.708 -4.764 1.00 26.13 C ATOM 935 C ARG A 112 -11.896 22.552 -5.490 1.00 25.59 C ATOM 936 O ARG A 112 -10.739 22.629 -5.066 1.00 25.63 O ATOM 937 CB ARG A 112 -13.467 22.605 -3.647 1.00 27.13 C ATOM 938 CG ARG A 112 -14.396 21.927 -2.741 1.00 29.59 C ATOM 939 CD ARG A 112 -15.573 21.331 -3.496 1.00 31.09 C ATOM 940 NE ARG A 112 -16.641 22.297 -3.820 1.00 31.78 N ATOM 941 CZ ARG A 112 -17.490 22.840 -2.930 1.00 36.30 C ATOM 942 NH1 ARG A 112 -17.350 22.535 -1.633 1.00 36.58 N ATOM 943 NH2 ARG A 112 -18.436 23.727 -3.337 1.00 28.28 N ATOM 944 HA ARG A 112 -13.686 21.370 -5.455 1.00 0.00 H ATOM 945 HB2 ARG A 112 -12.628 22.979 -3.060 1.00 0.00 H ATOM 946 HB3 ARG A 112 -13.989 23.444 -4.108 1.00 0.00 H ATOM 947 HG2 ARG A 112 -13.866 21.128 -2.222 1.00 0.00 H ATOM 948 HG3 ARG A 112 -14.770 22.646 -2.012 1.00 0.00 H ATOM 949 HD2 ARG A 112 -16.004 20.538 -2.885 1.00 0.00 H ATOM 950 HD3 ARG A 112 -15.201 20.908 -4.429 1.00 0.00 H ATOM 951 HE ARG A 112 -16.745 22.580 -4.815 1.00 0.00 H ATOM 952 HH12 ARG A 112 -17.997 22.945 -0.930 1.00 0.00 H ATOM 953 HH11 ARG A 112 -16.594 21.888 -1.330 1.00 0.00 H ATOM 954 HH22 ARG A 112 -19.090 24.144 -2.644 1.00 0.00 H ATOM 955 HH21 ARG A 112 -18.506 23.989 -4.341 1.00 0.00 H ATOM 956 H ARG A 112 -11.585 20.564 -3.484 1.00 0.00 H ATOM 957 N ASP A 113 -12.325 23.230 -6.557 1.00 26.21 N ATOM 958 CA ASP A 113 -11.462 24.203 -7.218 1.00 27.08 C ATOM 959 C ASP A 113 -11.675 25.555 -6.533 1.00 28.74 C ATOM 960 O ASP A 113 -12.360 25.643 -5.483 1.00 27.70 O ATOM 961 CB ASP A 113 -11.708 24.173 -8.750 1.00 25.84 C ATOM 962 CG ASP A 113 -12.951 24.898 -9.154 1.00 29.82 C ATOM 963 OD1 ASP A 113 -13.742 25.338 -8.285 1.00 26.55 O ATOM 964 OD2 ASP A 113 -13.148 25.084 -10.392 1.00 30.35 O ATOM 965 HA ASP A 113 -10.403 23.968 -7.115 1.00 0.00 H ATOM 966 HB2 ASP A 113 -10.857 24.637 -9.248 1.00 0.00 H ATOM 967 HB3 ASP A 113 -11.792 23.134 -9.069 1.00 0.00 H ATOM 968 H ASP A 113 -13.285 23.063 -6.921 1.00 0.00 H ATOM 969 N GLY A 114 -11.105 26.618 -7.086 1.00 30.11 N ATOM 970 CA GLY A 114 -11.267 27.945 -6.488 1.00 33.44 C ATOM 971 C GLY A 114 -12.679 28.522 -6.562 1.00 34.30 C ATOM 972 O GLY A 114 -13.107 29.330 -5.694 1.00 35.67 O ATOM 973 HA3 GLY A 114 -10.594 28.632 -7.002 1.00 0.00 H ATOM 974 HA2 GLY A 114 -10.984 27.879 -5.438 1.00 0.00 H ATOM 975 H GLY A 114 -10.539 26.508 -7.951 1.00 0.00 H ATOM 976 N ALA A 115 -13.408 28.115 -7.601 1.00 34.79 N ATOM 977 CA ALA A 115 -14.755 28.575 -7.883 1.00 34.04 C ATOM 978 C ALA A 115 -15.798 27.733 -7.165 1.00 33.82 C ATOM 979 O ALA A 115 -16.974 27.984 -7.346 1.00 35.84 O ATOM 980 CB ALA A 115 -15.006 28.563 -9.409 1.00 34.23 C ATOM 981 HA ALA A 115 -14.848 29.595 -7.511 1.00 0.00 H ATOM 982 HB1 ALA A 115 -14.290 29.223 -9.899 1.00 0.00 H ATOM 983 HB2 ALA A 115 -14.885 27.548 -9.788 1.00 0.00 H ATOM 984 HB3 ALA A 115 -16.019 28.910 -9.612 1.00 0.00 H ATOM 985 H ALA A 115 -12.984 27.423 -8.252 1.00 0.00 H ATOM 986 N GLY A 116 -15.377 26.765 -6.340 1.00 31.44 N ATOM 987 CA GLY A 116 -16.310 25.843 -5.679 1.00 30.00 C ATOM 988 C GLY A 116 -16.828 24.638 -6.468 1.00 28.88 C ATOM 989 O GLY A 116 -17.788 24.001 -6.031 1.00 30.01 O ATOM 990 HA3 GLY A 116 -17.179 26.427 -5.375 1.00 0.00 H ATOM 991 HA2 GLY A 116 -15.807 25.456 -4.793 1.00 0.00 H ATOM 992 H GLY A 116 -14.357 26.663 -6.162 1.00 0.00 H ATOM 993 N LYS A 117 -16.252 24.311 -7.631 1.00 27.99 N ATOM 994 CA LYS A 117 -16.649 23.113 -8.393 1.00 25.62 C ATOM 995 C LYS A 117 -16.094 21.875 -7.726 1.00 24.54 C ATOM 996 O LYS A 117 -15.124 21.969 -6.984 1.00 26.77 O ATOM 997 CB LYS A 117 -16.144 23.199 -9.850 1.00 26.54 C ATOM 998 CG LYS A 117 -16.840 24.352 -10.547 1.00 29.29 C ATOM 999 CD LYS A 117 -16.832 24.273 -12.034 1.00 32.79 C ATOM 1000 CE LYS A 117 -17.269 25.625 -12.524 1.00 37.43 C ATOM 1001 NZ LYS A 117 -18.258 25.465 -13.610 1.00 42.03 N ATOM 1002 HA LYS A 117 -17.737 23.057 -8.410 1.00 0.00 H ATOM 1003 HB2 LYS A 117 -15.067 23.366 -9.854 1.00 0.00 H ATOM 1004 HB3 LYS A 117 -16.369 22.268 -10.370 1.00 0.00 H ATOM 1005 HG2 LYS A 117 -17.877 24.375 -10.213 1.00 0.00 H ATOM 1006 HG3 LYS A 117 -16.344 25.277 -10.253 1.00 0.00 H ATOM 1007 HD2 LYS A 117 -15.830 24.045 -12.396 1.00 0.00 H ATOM 1008 HD3 LYS A 117 -17.524 23.504 -12.376 1.00 0.00 H ATOM 1009 HE2 LYS A 117 -16.404 26.172 -12.899 1.00 0.00 H ATOM 1010 HE3 LYS A 117 -17.720 26.180 -11.702 1.00 0.00 H ATOM 1011 HZ1 LYS A 117 -17.827 24.936 -14.395 1.00 0.00 H ATOM 1012 HZ2 LYS A 117 -19.084 24.944 -13.251 1.00 0.00 H ATOM 1013 HZ3 LYS A 117 -18.557 26.403 -13.946 1.00 0.00 H ATOM 1014 H LYS A 117 -15.500 24.922 -8.009 1.00 0.00 H ATOM 1015 N TYR A 118 -16.672 20.707 -7.999 1.00 22.24 N ATOM 1016 CA TYR A 118 -16.304 19.469 -7.315 1.00 22.55 C ATOM 1017 C TYR A 118 -15.613 18.550 -8.264 1.00 23.19 C ATOM 1018 O TYR A 118 -16.099 18.414 -9.424 1.00 23.88 O ATOM 1019 CB TYR A 118 -17.563 18.733 -6.940 1.00 22.02 C ATOM 1020 CG TYR A 118 -18.468 19.534 -5.957 1.00 22.05 C ATOM 1021 CD1 TYR A 118 -19.530 20.305 -6.417 1.00 23.17 C ATOM 1022 CD2 TYR A 118 -18.242 19.459 -4.522 1.00 23.30 C ATOM 1023 CE1 TYR A 118 -20.374 21.015 -5.524 1.00 24.83 C ATOM 1024 CE2 TYR A 118 -19.066 20.162 -3.648 1.00 22.12 C ATOM 1025 CZ TYR A 118 -20.120 20.914 -4.128 1.00 24.97 C ATOM 1026 OH TYR A 118 -20.957 21.613 -3.288 1.00 25.80 O ATOM 1027 HA TYR A 118 -15.680 19.727 -6.460 1.00 0.00 H ATOM 1028 HB3 TYR A 118 -17.287 17.790 -6.468 1.00 0.00 H ATOM 1029 HB2 TYR A 118 -18.131 18.531 -7.848 1.00 0.00 H ATOM 1030 HD2 TYR A 118 -17.426 18.851 -4.131 1.00 0.00 H ATOM 1031 HE2 TYR A 118 -18.878 20.119 -2.575 1.00 0.00 H ATOM 1032 HE1 TYR A 118 -21.197 21.623 -5.899 1.00 0.00 H ATOM 1033 HD1 TYR A 118 -19.719 20.365 -7.489 1.00 0.00 H ATOM 1034 HH TYR A 118 -21.643 22.084 -3.824 1.00 0.00 H ATOM 1035 H TYR A 118 -17.414 20.674 -8.727 1.00 0.00 H ATOM 1036 N PHE A 119 -14.594 17.848 -7.766 1.00 21.02 N ATOM 1037 CA PHE A 119 -13.930 16.815 -8.583 1.00 20.49 C ATOM 1038 C PHE A 119 -13.253 15.695 -7.784 1.00 20.43 C ATOM 1039 O PHE A 119 -12.971 15.872 -6.571 1.00 21.46 O ATOM 1040 CB PHE A 119 -12.928 17.479 -9.573 1.00 19.64 C ATOM 1041 CG PHE A 119 -11.709 18.119 -8.917 1.00 22.07 C ATOM 1042 CD1 PHE A 119 -10.459 17.437 -8.887 1.00 21.68 C ATOM 1043 CD2 PHE A 119 -11.752 19.412 -8.400 1.00 23.18 C ATOM 1044 CE1 PHE A 119 -9.307 18.014 -8.296 1.00 20.35 C ATOM 1045 CE2 PHE A 119 -10.605 20.007 -7.863 1.00 22.98 C ATOM 1046 CZ PHE A 119 -9.366 19.313 -7.797 1.00 22.38 C ATOM 1047 HA PHE A 119 -14.727 16.317 -9.135 1.00 0.00 H ATOM 1048 HB2 PHE A 119 -12.578 16.714 -10.266 1.00 0.00 H ATOM 1049 HB3 PHE A 119 -13.460 18.252 -10.127 1.00 0.00 H ATOM 1050 HD2 PHE A 119 -12.690 19.967 -8.414 1.00 0.00 H ATOM 1051 HE2 PHE A 119 -10.663 21.028 -7.486 1.00 0.00 H ATOM 1052 HZ PHE A 119 -8.484 19.786 -7.366 1.00 0.00 H ATOM 1053 HE1 PHE A 119 -8.380 17.444 -8.232 1.00 0.00 H ATOM 1054 HD1 PHE A 119 -10.386 16.444 -9.331 1.00 0.00 H ATOM 1055 H PHE A 119 -14.266 18.030 -6.796 1.00 0.00 H ATOM 1056 N LEU A 120 -12.997 14.556 -8.456 1.00 20.62 N ATOM 1057 CA LEU A 120 -12.149 13.528 -7.846 1.00 20.50 C ATOM 1058 C LEU A 120 -10.714 13.572 -8.336 1.00 22.43 C ATOM 1059 O LEU A 120 -9.740 13.503 -7.519 1.00 21.45 O ATOM 1060 CB LEU A 120 -12.724 12.138 -8.069 1.00 20.65 C ATOM 1061 CG LEU A 120 -14.146 11.874 -7.591 1.00 20.63 C ATOM 1062 CD1 LEU A 120 -14.503 10.404 -7.833 1.00 22.61 C ATOM 1063 CD2 LEU A 120 -14.273 12.307 -6.108 1.00 20.77 C ATOM 1064 HA LEU A 120 -12.136 13.749 -6.779 1.00 0.00 H ATOM 1065 HB2 LEU A 120 -12.700 11.944 -9.141 1.00 0.00 H ATOM 1066 HB3 LEU A 120 -12.072 11.430 -7.558 1.00 0.00 H ATOM 1067 HG LEU A 120 -14.867 12.465 -8.156 1.00 0.00 H ATOM 1068 HD21 LEU A 120 -13.570 11.735 -5.502 1.00 0.00 H ATOM 1069 HD22 LEU A 120 -14.048 13.370 -6.021 1.00 0.00 H ATOM 1070 HD23 LEU A 120 -15.289 12.120 -5.762 1.00 0.00 H ATOM 1071 HD11 LEU A 120 -14.431 10.185 -8.898 1.00 0.00 H ATOM 1072 HD12 LEU A 120 -13.810 9.768 -7.282 1.00 0.00 H ATOM 1073 HD13 LEU A 120 -15.521 10.217 -7.490 1.00 0.00 H ATOM 1074 H LEU A 120 -13.399 14.407 -9.403 1.00 0.00 H ATOM 1075 N TRP A 121 -10.587 13.672 -9.676 1.00 21.80 N ATOM 1076 CA TRP A 121 -9.280 13.610 -10.300 1.00 23.58 C ATOM 1077 C TRP A 121 -9.041 14.834 -11.158 1.00 24.44 C ATOM 1078 O TRP A 121 -8.239 15.662 -10.794 1.00 23.39 O ATOM 1079 CB TRP A 121 -9.141 12.337 -11.147 1.00 23.67 C ATOM 1080 CG TRP A 121 -9.189 11.055 -10.315 1.00 24.51 C ATOM 1081 CD1 TRP A 121 -10.229 10.198 -10.235 1.00 25.50 C ATOM 1082 CD2 TRP A 121 -8.147 10.511 -9.469 1.00 22.54 C ATOM 1083 NE1 TRP A 121 -9.920 9.146 -9.416 1.00 24.16 N ATOM 1084 CE2 TRP A 121 -8.647 9.285 -8.944 1.00 23.17 C ATOM 1085 CE3 TRP A 121 -6.843 10.892 -9.164 1.00 25.05 C ATOM 1086 CZ2 TRP A 121 -7.901 8.453 -8.090 1.00 23.02 C ATOM 1087 CZ3 TRP A 121 -6.068 10.027 -8.253 1.00 28.31 C ATOM 1088 CH2 TRP A 121 -6.615 8.831 -7.764 1.00 25.80 C ATOM 1089 HA TRP A 121 -8.530 13.584 -9.510 1.00 0.00 H ATOM 1090 HB2 TRP A 121 -9.955 12.311 -11.872 1.00 0.00 H ATOM 1091 HB3 TRP A 121 -8.188 12.373 -11.674 1.00 0.00 H ATOM 1092 HE1 TRP A 121 -10.560 8.358 -9.187 1.00 0.00 H ATOM 1093 HD1 TRP A 121 -11.181 10.326 -10.750 1.00 0.00 H ATOM 1094 HZ2 TRP A 121 -8.329 7.531 -7.695 1.00 0.00 H ATOM 1095 HH2 TRP A 121 -6.015 8.191 -7.117 1.00 0.00 H ATOM 1096 HZ3 TRP A 121 -5.061 10.320 -7.957 1.00 0.00 H ATOM 1097 HE3 TRP A 121 -6.409 11.799 -9.584 1.00 0.00 H ATOM 1098 H TRP A 121 -11.434 13.795 -10.266 1.00 0.00 H ATOM 1099 N VAL A 122 -9.741 14.899 -12.292 1.00 24.21 N ATOM 1100 CA VAL A 122 -9.471 15.943 -13.291 1.00 26.07 C ATOM 1101 C VAL A 122 -10.735 16.629 -13.782 1.00 23.00 C ATOM 1102 O VAL A 122 -10.777 17.833 -13.800 1.00 23.35 O ATOM 1103 CB VAL A 122 -8.571 15.416 -14.517 1.00 27.78 C ATOM 1104 CG1 VAL A 122 -8.448 16.490 -15.576 1.00 28.15 C ATOM 1105 CG2 VAL A 122 -7.163 15.077 -14.029 1.00 30.19 C ATOM 1106 HA VAL A 122 -8.883 16.698 -12.769 1.00 0.00 H ATOM 1107 HB VAL A 122 -9.053 14.530 -14.931 1.00 0.00 H ATOM 1108 HG11 VAL A 122 -9.440 16.748 -15.947 1.00 0.00 H ATOM 1109 HG12 VAL A 122 -7.979 17.374 -15.143 1.00 0.00 H ATOM 1110 HG13 VAL A 122 -7.837 16.119 -16.399 1.00 0.00 H ATOM 1111 HG21 VAL A 122 -6.702 15.969 -13.605 1.00 0.00 H ATOM 1112 HG22 VAL A 122 -7.221 14.299 -13.268 1.00 0.00 H ATOM 1113 HG23 VAL A 122 -6.565 14.722 -14.868 1.00 0.00 H ATOM 1114 H VAL A 122 -10.490 14.200 -12.472 1.00 0.00 H ATOM 1115 N VAL A 123 -11.765 15.887 -14.155 1.00 23.40 N ATOM 1116 CA VAL A 123 -12.982 16.526 -14.666 1.00 23.05 C ATOM 1117 C VAL A 123 -13.760 17.050 -13.440 1.00 24.48 C ATOM 1118 O VAL A 123 -13.862 16.345 -12.457 1.00 22.80 O ATOM 1119 CB VAL A 123 -13.793 15.505 -15.514 1.00 24.54 C ATOM 1120 CG1 VAL A 123 -15.052 16.143 -16.088 1.00 26.59 C ATOM 1121 CG2 VAL A 123 -12.890 14.986 -16.647 1.00 26.18 C ATOM 1122 HA VAL A 123 -12.765 17.363 -15.330 1.00 0.00 H ATOM 1123 HB VAL A 123 -14.109 14.678 -14.878 1.00 0.00 H ATOM 1124 HG11 VAL A 123 -15.682 16.497 -15.272 1.00 0.00 H ATOM 1125 HG12 VAL A 123 -14.774 16.983 -16.725 1.00 0.00 H ATOM 1126 HG13 VAL A 123 -15.597 15.404 -16.675 1.00 0.00 H ATOM 1127 HG21 VAL A 123 -12.575 15.822 -17.271 1.00 0.00 H ATOM 1128 HG22 VAL A 123 -12.013 14.501 -16.218 1.00 0.00 H ATOM 1129 HG23 VAL A 123 -13.444 14.268 -17.252 1.00 0.00 H ATOM 1130 H VAL A 123 -11.712 14.851 -14.086 1.00 0.00 H ATOM 1131 N LYS A 124 -14.274 18.265 -13.534 1.00 22.93 N ATOM 1132 CA LYS A 124 -14.993 18.932 -12.388 1.00 24.32 C ATOM 1133 C LYS A 124 -16.410 19.346 -12.769 1.00 23.48 C ATOM 1134 O LYS A 124 -16.740 19.512 -13.958 1.00 24.31 O ATOM 1135 CB LYS A 124 -14.152 20.059 -11.818 1.00 22.79 C ATOM 1136 CG LYS A 124 -14.025 21.289 -12.771 1.00 23.28 C ATOM 1137 CD LYS A 124 -12.980 22.223 -12.237 1.00 24.21 C ATOM 1138 CE LYS A 124 -12.683 23.336 -13.223 1.00 23.34 C ATOM 1139 NZ LYS A 124 -11.828 24.471 -12.639 1.00 24.05 N ATOM 1140 HA LYS A 124 -15.122 18.207 -11.584 1.00 0.00 H ATOM 1141 HB2 LYS A 124 -14.608 20.391 -10.885 1.00 0.00 H ATOM 1142 HB3 LYS A 124 -13.152 19.675 -11.616 1.00 0.00 H ATOM 1143 HG2 LYS A 124 -13.737 20.951 -13.766 1.00 0.00 H ATOM 1144 HG3 LYS A 124 -14.982 21.807 -12.827 1.00 0.00 H ATOM 1145 HD2 LYS A 124 -13.337 22.660 -11.304 1.00 0.00 H ATOM 1146 HD3 LYS A 124 -12.065 21.662 -12.048 1.00 0.00 H ATOM 1147 HE2 LYS A 124 -13.630 23.758 -13.561 1.00 0.00 H ATOM 1148 HE3 LYS A 124 -12.153 22.909 -14.074 1.00 0.00 H ATOM 1149 HZ1 LYS A 124 -12.325 24.898 -11.832 1.00 0.00 H ATOM 1150 HZ2 LYS A 124 -10.915 24.087 -12.322 1.00 0.00 H ATOM 1151 HZ3 LYS A 124 -11.667 25.193 -13.370 1.00 0.00 H ATOM 1152 H LYS A 124 -14.179 18.780 -14.432 1.00 0.00 H ATOM 1153 N PHE A 125 -17.246 19.528 -11.778 1.00 24.07 N ATOM 1154 CA PHE A 125 -18.669 19.687 -11.969 1.00 23.46 C ATOM 1155 C PHE A 125 -19.287 20.754 -11.072 1.00 24.00 C ATOM 1156 O PHE A 125 -18.751 21.051 -10.053 1.00 23.50 O ATOM 1157 CB PHE A 125 -19.377 18.334 -11.763 1.00 22.82 C ATOM 1158 CG PHE A 125 -18.649 17.177 -12.379 1.00 20.70 C ATOM 1159 CD1 PHE A 125 -18.955 16.766 -13.608 1.00 17.72 C ATOM 1160 CD2 PHE A 125 -17.635 16.550 -11.717 1.00 18.01 C ATOM 1161 CE1 PHE A 125 -18.287 15.758 -14.181 1.00 17.49 C ATOM 1162 CE2 PHE A 125 -16.971 15.534 -12.311 1.00 20.36 C ATOM 1163 CZ PHE A 125 -17.330 15.156 -13.550 1.00 18.95 C ATOM 1164 HA PHE A 125 -18.813 20.033 -12.993 1.00 0.00 H ATOM 1165 HB2 PHE A 125 -19.470 18.153 -10.692 1.00 0.00 H ATOM 1166 HB3 PHE A 125 -20.370 18.393 -12.208 1.00 0.00 H ATOM 1167 HD2 PHE A 125 -17.361 16.868 -10.711 1.00 0.00 H ATOM 1168 HE2 PHE A 125 -16.156 15.028 -11.793 1.00 0.00 H ATOM 1169 HZ PHE A 125 -16.807 14.329 -14.031 1.00 0.00 H ATOM 1170 HE1 PHE A 125 -18.551 15.440 -15.190 1.00 0.00 H ATOM 1171 HD1 PHE A 125 -19.760 17.257 -14.154 1.00 0.00 H ATOM 1172 H PHE A 125 -16.869 19.560 -10.809 1.00 0.00 H ATOM 1173 N ASN A 126 -20.416 21.298 -11.484 1.00 23.37 N ATOM 1174 CA ASN A 126 -21.056 22.367 -10.725 1.00 25.07 C ATOM 1175 C ASN A 126 -21.820 21.809 -9.528 1.00 23.74 C ATOM 1176 O ASN A 126 -22.363 22.595 -8.722 1.00 25.03 O ATOM 1177 CB ASN A 126 -22.078 23.076 -11.605 1.00 26.90 C ATOM 1178 CG ASN A 126 -21.417 23.923 -12.717 1.00 30.46 C ATOM 1179 OD1 ASN A 126 -20.202 23.928 -12.883 1.00 36.12 O ATOM 1180 ND2 ASN A 126 -22.237 24.633 -13.464 1.00 37.50 N ATOM 1181 HA ASN A 126 -20.271 23.045 -10.390 1.00 0.00 H ATOM 1182 HB2 ASN A 126 -22.719 22.327 -12.070 1.00 0.00 H ATOM 1183 HB3 ASN A 126 -22.683 23.732 -10.979 1.00 0.00 H ATOM 1184 HD22 ASN A 126 -23.261 24.599 -13.288 1.00 0.00 H ATOM 1185 HD21 ASN A 126 -21.860 25.228 -14.230 1.00 0.00 H ATOM 1186 H ASN A 126 -20.857 20.960 -12.363 1.00 0.00 H ATOM 1187 N SER A 127 -21.886 20.473 -9.405 1.00 23.84 N ATOM 1188 CA SER A 127 -22.649 19.833 -8.271 1.00 21.24 C ATOM 1189 C SER A 127 -22.114 18.474 -7.933 1.00 22.58 C ATOM 1190 O SER A 127 -21.516 17.752 -8.788 1.00 18.86 O ATOM 1191 CB SER A 127 -24.138 19.716 -8.603 1.00 21.48 C ATOM 1192 OG SER A 127 -24.287 18.861 -9.749 1.00 23.49 O ATOM 1193 HA SER A 127 -22.520 20.484 -7.406 1.00 0.00 H ATOM 1194 HB2 SER A 127 -24.543 20.703 -8.826 1.00 0.00 H ATOM 1195 HB3 SER A 127 -24.671 19.289 -7.754 1.00 0.00 H ATOM 1196 HG SER A 127 -23.800 19.252 -10.517 1.00 0.00 H ATOM 1197 H SER A 127 -21.404 19.870 -10.102 1.00 0.00 H ATOM 1198 N LEU A 128 -22.260 18.092 -6.651 1.00 20.95 N ATOM 1199 CA LEU A 128 -22.005 16.686 -6.310 1.00 21.29 C ATOM 1200 C LEU A 128 -22.847 15.753 -7.170 1.00 19.26 C ATOM 1201 O LEU A 128 -22.400 14.673 -7.494 1.00 19.89 O ATOM 1202 CB LEU A 128 -22.416 16.404 -4.847 1.00 20.88 C ATOM 1203 CG LEU A 128 -21.593 17.114 -3.740 1.00 21.67 C ATOM 1204 CD1 LEU A 128 -22.427 17.048 -2.443 1.00 20.44 C ATOM 1205 CD2 LEU A 128 -20.256 16.440 -3.609 1.00 23.31 C ATOM 1206 HA LEU A 128 -20.941 16.512 -6.471 1.00 0.00 H ATOM 1207 HB2 LEU A 128 -23.456 16.709 -4.732 1.00 0.00 H ATOM 1208 HB3 LEU A 128 -22.333 15.330 -4.682 1.00 0.00 H ATOM 1209 HG LEU A 128 -21.393 18.159 -3.976 1.00 0.00 H ATOM 1210 HD21 LEU A 128 -20.403 15.393 -3.342 1.00 0.00 H ATOM 1211 HD22 LEU A 128 -19.724 16.503 -4.558 1.00 0.00 H ATOM 1212 HD23 LEU A 128 -19.675 16.936 -2.832 1.00 0.00 H ATOM 1213 HD11 LEU A 128 -23.380 17.554 -2.599 1.00 0.00 H ATOM 1214 HD12 LEU A 128 -22.607 16.005 -2.181 1.00 0.00 H ATOM 1215 HD13 LEU A 128 -21.882 17.538 -1.637 1.00 0.00 H ATOM 1216 H LEU A 128 -22.546 18.775 -5.920 1.00 0.00 H ATOM 1217 N ASN A 129 -24.090 16.140 -7.483 1.00 19.53 N ATOM 1218 CA ASN A 129 -25.019 15.288 -8.255 1.00 20.20 C ATOM 1219 C ASN A 129 -24.367 14.949 -9.612 1.00 20.81 C ATOM 1220 O ASN A 129 -24.398 13.781 -10.056 1.00 21.27 O ATOM 1221 CB ASN A 129 -26.297 16.073 -8.531 1.00 20.97 C ATOM 1222 CG ASN A 129 -27.476 15.174 -8.934 1.00 20.92 C ATOM 1223 OD1 ASN A 129 -27.312 14.004 -9.397 1.00 25.55 O ATOM 1224 ND2 ASN A 129 -28.653 15.698 -8.787 1.00 18.48 N ATOM 1225 HA ASN A 129 -25.241 14.380 -7.694 1.00 0.00 H ATOM 1226 HB2 ASN A 129 -26.570 16.622 -7.630 1.00 0.00 H ATOM 1227 HB3 ASN A 129 -26.105 16.778 -9.340 1.00 0.00 H ATOM 1228 HD22 ASN A 129 -28.750 16.660 -8.404 1.00 0.00 H ATOM 1229 HD21 ASN A 129 -29.500 15.156 -9.052 1.00 0.00 H ATOM 1230 H ASN A 129 -24.415 17.077 -7.171 1.00 0.00 H ATOM 1231 N GLU A 130 -23.843 15.981 -10.276 1.00 19.89 N ATOM 1232 CA GLU A 130 -23.167 15.790 -11.583 1.00 20.10 C ATOM 1233 C GLU A 130 -21.890 14.978 -11.502 1.00 20.52 C ATOM 1234 O GLU A 130 -21.611 14.142 -12.397 1.00 20.67 O ATOM 1235 CB GLU A 130 -22.916 17.119 -12.251 1.00 20.51 C ATOM 1236 CG GLU A 130 -24.221 17.782 -12.764 1.00 22.84 C ATOM 1237 CD GLU A 130 -24.019 19.284 -13.000 1.00 30.50 C ATOM 1238 OE1 GLU A 130 -23.868 19.711 -14.181 1.00 29.43 O ATOM 1239 OE2 GLU A 130 -23.913 20.040 -12.011 1.00 25.14 O ATOM 1240 HA GLU A 130 -23.853 15.202 -12.192 1.00 0.00 H ATOM 1241 HB2 GLU A 130 -22.443 17.788 -11.532 1.00 0.00 H ATOM 1242 HB3 GLU A 130 -22.246 16.964 -13.097 1.00 0.00 H ATOM 1243 HG2 GLU A 130 -24.516 17.310 -13.701 1.00 0.00 H ATOM 1244 HG3 GLU A 130 -25.008 17.640 -12.024 1.00 0.00 H ATOM 1245 H GLU A 130 -23.910 16.936 -9.870 1.00 0.00 H ATOM 1246 N LEU A 131 -21.075 15.213 -10.453 1.00 19.72 N ATOM 1247 CA LEU A 131 -19.893 14.397 -10.225 1.00 19.34 C ATOM 1248 C LEU A 131 -20.235 12.903 -10.065 1.00 20.57 C ATOM 1249 O LEU A 131 -19.544 12.043 -10.622 1.00 20.10 O ATOM 1250 CB LEU A 131 -19.139 14.909 -8.966 1.00 20.51 C ATOM 1251 CG LEU A 131 -17.850 14.179 -8.529 1.00 20.00 C ATOM 1252 CD1 LEU A 131 -17.109 15.080 -7.483 1.00 20.36 C ATOM 1253 CD2 LEU A 131 -17.973 12.689 -8.015 1.00 26.57 C ATOM 1254 HA LEU A 131 -19.255 14.489 -11.104 1.00 0.00 H ATOM 1255 HB2 LEU A 131 -18.872 15.949 -9.152 1.00 0.00 H ATOM 1256 HB3 LEU A 131 -19.837 14.858 -8.130 1.00 0.00 H ATOM 1257 HG LEU A 131 -17.281 14.043 -9.448 1.00 0.00 H ATOM 1258 HD21 LEU A 131 -18.624 12.660 -7.141 1.00 0.00 H ATOM 1259 HD22 LEU A 131 -18.395 12.067 -8.805 1.00 0.00 H ATOM 1260 HD23 LEU A 131 -16.985 12.316 -7.746 1.00 0.00 H ATOM 1261 HD11 LEU A 131 -16.861 16.038 -7.941 1.00 0.00 H ATOM 1262 HD12 LEU A 131 -17.758 15.244 -6.623 1.00 0.00 H ATOM 1263 HD13 LEU A 131 -16.194 14.583 -7.160 1.00 0.00 H ATOM 1264 H LEU A 131 -21.295 15.990 -9.797 1.00 0.00 H ATOM 1265 N VAL A 132 -21.280 12.616 -9.249 1.00 19.82 N ATOM 1266 CA VAL A 132 -21.758 11.251 -9.031 1.00 19.87 C ATOM 1267 C VAL A 132 -22.122 10.675 -10.383 1.00 19.54 C ATOM 1268 O VAL A 132 -21.716 9.559 -10.711 1.00 19.88 O ATOM 1269 CB VAL A 132 -22.977 11.212 -8.053 1.00 19.92 C ATOM 1270 CG1 VAL A 132 -23.711 9.917 -8.130 1.00 22.16 C ATOM 1271 CG2 VAL A 132 -22.431 11.311 -6.611 1.00 21.53 C ATOM 1272 HA VAL A 132 -20.975 10.655 -8.561 1.00 0.00 H ATOM 1273 HB VAL A 132 -23.648 12.028 -8.321 1.00 0.00 H ATOM 1274 HG11 VAL A 132 -24.082 9.771 -9.144 1.00 0.00 H ATOM 1275 HG12 VAL A 132 -23.036 9.102 -7.868 1.00 0.00 H ATOM 1276 HG13 VAL A 132 -24.550 9.934 -7.434 1.00 0.00 H ATOM 1277 HG21 VAL A 132 -21.764 10.471 -6.418 1.00 0.00 H ATOM 1278 HG22 VAL A 132 -21.883 12.246 -6.495 1.00 0.00 H ATOM 1279 HG23 VAL A 132 -23.262 11.286 -5.907 1.00 0.00 H ATOM 1280 H VAL A 132 -21.760 13.398 -8.759 1.00 0.00 H ATOM 1281 N ASP A 133 -22.914 11.394 -11.142 1.00 19.30 N ATOM 1282 CA ASP A 133 -23.458 10.783 -12.362 1.00 20.41 C ATOM 1283 C ASP A 133 -22.381 10.544 -13.407 1.00 21.36 C ATOM 1284 O ASP A 133 -22.375 9.496 -14.108 1.00 21.62 O ATOM 1285 CB ASP A 133 -24.606 11.664 -12.910 1.00 19.16 C ATOM 1286 CG ASP A 133 -25.932 11.489 -12.108 1.00 24.37 C ATOM 1287 OD1 ASP A 133 -26.037 10.553 -11.283 1.00 25.11 O ATOM 1288 OD2 ASP A 133 -26.867 12.319 -12.297 1.00 25.68 O ATOM 1289 HA ASP A 133 -23.858 9.801 -12.111 1.00 0.00 H ATOM 1290 HB2 ASP A 133 -24.301 12.709 -12.856 1.00 0.00 H ATOM 1291 HB3 ASP A 133 -24.788 11.393 -13.950 1.00 0.00 H ATOM 1292 H ASP A 133 -23.151 12.374 -10.886 1.00 0.00 H ATOM 1293 N TYR A 134 -21.443 11.492 -13.488 1.00 21.34 N ATOM 1294 CA TYR A 134 -20.298 11.341 -14.375 1.00 20.94 C ATOM 1295 C TYR A 134 -19.567 10.021 -14.041 1.00 21.86 C ATOM 1296 O TYR A 134 -19.139 9.262 -14.948 1.00 21.36 O ATOM 1297 CB TYR A 134 -19.370 12.544 -14.238 1.00 20.52 C ATOM 1298 CG TYR A 134 -18.089 12.371 -15.070 1.00 20.90 C ATOM 1299 CD1 TYR A 134 -18.095 12.680 -16.417 1.00 27.45 C ATOM 1300 CD2 TYR A 134 -16.882 11.869 -14.493 1.00 22.63 C ATOM 1301 CE1 TYR A 134 -16.939 12.573 -17.194 1.00 26.51 C ATOM 1302 CE2 TYR A 134 -15.694 11.770 -15.302 1.00 22.91 C ATOM 1303 CZ TYR A 134 -15.772 12.115 -16.647 1.00 22.61 C ATOM 1304 OH TYR A 134 -14.652 12.001 -17.462 1.00 26.66 O ATOM 1305 HA TYR A 134 -20.632 11.298 -15.412 1.00 0.00 H ATOM 1306 HB3 TYR A 134 -19.097 12.663 -13.189 1.00 0.00 H ATOM 1307 HB2 TYR A 134 -19.895 13.436 -14.579 1.00 0.00 H ATOM 1308 HD2 TYR A 134 -16.860 11.563 -13.447 1.00 0.00 H ATOM 1309 HE2 TYR A 134 -14.753 11.431 -14.869 1.00 0.00 H ATOM 1310 HE1 TYR A 134 -16.967 12.857 -18.246 1.00 0.00 H ATOM 1311 HD1 TYR A 134 -19.022 13.014 -16.883 1.00 0.00 H ATOM 1312 HH TYR A 134 -14.884 12.286 -18.381 1.00 0.00 H ATOM 1313 H TYR A 134 -21.532 12.351 -12.909 1.00 0.00 H ATOM 1314 N HIS A 135 -19.423 9.704 -12.739 1.00 19.74 N ATOM 1315 CA HIS A 135 -18.663 8.573 -12.400 1.00 19.17 C ATOM 1316 C HIS A 135 -19.445 7.240 -12.360 1.00 18.28 C ATOM 1317 O HIS A 135 -18.921 6.171 -11.925 1.00 19.17 O ATOM 1318 CB HIS A 135 -17.882 8.855 -11.089 1.00 17.97 C ATOM 1319 CG HIS A 135 -16.667 9.689 -11.325 1.00 19.89 C ATOM 1320 ND1 HIS A 135 -16.579 11.003 -10.957 1.00 23.13 N ATOM 1321 CD2 HIS A 135 -15.496 9.389 -11.921 1.00 18.70 C ATOM 1322 CE1 HIS A 135 -15.406 11.482 -11.321 1.00 17.29 C ATOM 1323 NE2 HIS A 135 -14.742 10.528 -11.922 1.00 21.34 N ATOM 1324 HA HIS A 135 -17.958 8.411 -13.216 1.00 0.00 H ATOM 1325 HB2 HIS A 135 -18.539 9.379 -10.395 1.00 0.00 H ATOM 1326 HB3 HIS A 135 -17.576 7.905 -10.651 1.00 0.00 H ATOM 1327 HD2 HIS A 135 -15.205 8.420 -12.326 1.00 0.00 H ATOM 1328 HE1 HIS A 135 -15.050 12.498 -11.151 1.00 0.00 H ATOM 1329 H HIS A 135 -19.866 10.286 -12.000 1.00 0.00 H ATOM 1330 N ARG A 136 -20.666 7.290 -12.832 1.00 18.82 N ATOM 1331 CA ARG A 136 -21.430 6.047 -13.121 1.00 19.82 C ATOM 1332 C ARG A 136 -20.923 5.413 -14.440 1.00 22.58 C ATOM 1333 O ARG A 136 -21.088 4.210 -14.646 1.00 21.93 O ATOM 1334 CB ARG A 136 -22.950 6.314 -13.243 1.00 20.54 C ATOM 1335 CG ARG A 136 -23.559 6.885 -11.933 1.00 18.49 C ATOM 1336 CD ARG A 136 -24.960 7.181 -12.191 1.00 19.40 C ATOM 1337 NE ARG A 136 -25.669 7.733 -10.978 1.00 21.90 N ATOM 1338 CZ ARG A 136 -26.153 6.978 -9.992 1.00 22.01 C ATOM 1339 NH1 ARG A 136 -25.989 5.640 -9.997 1.00 21.56 N ATOM 1340 NH2 ARG A 136 -26.804 7.544 -8.960 1.00 23.10 N ATOM 1341 HA ARG A 136 -21.270 5.367 -12.285 1.00 0.00 H ATOM 1342 HB2 ARG A 136 -23.116 7.030 -14.048 1.00 0.00 H ATOM 1343 HB3 ARG A 136 -23.452 5.377 -13.483 1.00 0.00 H ATOM 1344 HG2 ARG A 136 -23.475 6.150 -11.133 1.00 0.00 H ATOM 1345 HG3 ARG A 136 -23.034 7.795 -11.645 1.00 0.00 H ATOM 1346 HD2 ARG A 136 -25.460 6.263 -12.500 1.00 0.00 H ATOM 1347 HD3 ARG A 136 -25.020 7.915 -12.995 1.00 0.00 H ATOM 1348 HE ARG A 136 -25.787 8.764 -10.907 1.00 0.00 H ATOM 1349 HH12 ARG A 136 -26.373 5.066 -9.219 1.00 0.00 H ATOM 1350 HH11 ARG A 136 -25.478 5.182 -10.778 1.00 0.00 H ATOM 1351 HH22 ARG A 136 -27.180 6.950 -8.193 1.00 0.00 H ATOM 1352 HH21 ARG A 136 -26.932 8.576 -8.929 1.00 0.00 H ATOM 1353 H ARG A 136 -21.109 8.215 -13.008 1.00 0.00 H ATOM 1354 N SER A 137 -20.306 6.215 -15.293 1.00 23.38 N ATOM 1355 CA SER A 137 -19.749 5.590 -16.511 1.00 24.25 C ATOM 1356 C SER A 137 -18.268 5.873 -16.814 1.00 24.61 C ATOM 1357 O SER A 137 -17.729 5.409 -17.853 1.00 24.44 O ATOM 1358 CB SER A 137 -20.637 5.965 -17.708 1.00 25.03 C ATOM 1359 OG SER A 137 -20.677 7.384 -17.903 1.00 24.83 O ATOM 1360 HA SER A 137 -19.759 4.517 -16.320 1.00 0.00 H ATOM 1361 HB2 SER A 137 -21.649 5.603 -17.527 1.00 0.00 H ATOM 1362 HB3 SER A 137 -20.239 5.494 -18.607 1.00 0.00 H ATOM 1363 HG SER A 137 -19.761 7.719 -18.073 1.00 0.00 H ATOM 1364 H SER A 137 -20.217 7.236 -15.115 1.00 0.00 H ATOM 1365 N THR A 138 -17.586 6.595 -15.927 1.00 23.48 N ATOM 1366 CA THR A 138 -16.164 6.807 -15.963 1.00 23.25 C ATOM 1367 C THR A 138 -15.648 6.347 -14.569 1.00 22.73 C ATOM 1368 O THR A 138 -16.222 6.718 -13.548 1.00 23.04 O ATOM 1369 CB THR A 138 -15.777 8.306 -16.319 1.00 24.50 C ATOM 1370 OG1 THR A 138 -16.185 8.575 -17.668 1.00 25.48 O ATOM 1371 CG2 THR A 138 -14.278 8.613 -16.118 1.00 26.64 C ATOM 1372 HA THR A 138 -15.691 6.234 -16.760 1.00 0.00 H ATOM 1373 HB THR A 138 -16.301 8.965 -15.626 1.00 0.00 H ATOM 1374 HG1 THR A 138 -17.164 8.451 -17.746 1.00 0.00 H ATOM 1375 HG23 THR A 138 -14.000 8.399 -15.086 1.00 0.00 H ATOM 1376 HG21 THR A 138 -13.688 7.991 -16.791 1.00 0.00 H ATOM 1377 HG22 THR A 138 -14.091 9.665 -16.335 1.00 0.00 H ATOM 1378 H THR A 138 -18.120 7.038 -15.152 1.00 0.00 H ATOM 1379 N SER A 139 -14.622 5.501 -14.568 1.00 22.48 N ATOM 1380 CA SER A 139 -14.165 4.859 -13.322 1.00 21.03 C ATOM 1381 C SER A 139 -13.737 5.881 -12.268 1.00 21.55 C ATOM 1382 O SER A 139 -13.170 6.912 -12.580 1.00 20.69 O ATOM 1383 CB SER A 139 -13.033 3.875 -13.565 1.00 21.15 C ATOM 1384 OG SER A 139 -12.682 3.265 -12.319 1.00 21.41 O ATOM 1385 HA SER A 139 -15.026 4.310 -12.942 1.00 0.00 H ATOM 1386 HB2 SER A 139 -12.170 4.401 -13.972 1.00 0.00 H ATOM 1387 HB3 SER A 139 -13.357 3.110 -14.270 1.00 0.00 H ATOM 1388 HG SER A 139 -11.944 2.621 -12.464 1.00 0.00 H ATOM 1389 H SER A 139 -14.134 5.289 -15.461 1.00 0.00 H ATOM 1390 N VAL A 140 -14.108 5.638 -11.012 1.00 23.03 N ATOM 1391 CA VAL A 140 -13.596 6.448 -9.904 1.00 23.68 C ATOM 1392 C VAL A 140 -12.169 6.127 -9.509 1.00 23.03 C ATOM 1393 O VAL A 140 -11.530 6.962 -8.859 1.00 22.22 O ATOM 1394 CB VAL A 140 -14.491 6.310 -8.585 1.00 24.01 C ATOM 1395 CG1 VAL A 140 -15.869 6.856 -8.873 1.00 26.57 C ATOM 1396 CG2 VAL A 140 -14.454 4.838 -8.043 1.00 21.66 C ATOM 1397 HA VAL A 140 -13.635 7.464 -10.297 1.00 0.00 H ATOM 1398 HB VAL A 140 -14.089 6.908 -7.768 1.00 0.00 H ATOM 1399 HG11 VAL A 140 -15.790 7.905 -9.159 1.00 0.00 H ATOM 1400 HG12 VAL A 140 -16.320 6.289 -9.687 1.00 0.00 H ATOM 1401 HG13 VAL A 140 -16.488 6.767 -7.980 1.00 0.00 H ATOM 1402 HG21 VAL A 140 -14.841 4.162 -8.805 1.00 0.00 H ATOM 1403 HG22 VAL A 140 -13.426 4.566 -7.803 1.00 0.00 H ATOM 1404 HG23 VAL A 140 -15.069 4.767 -7.146 1.00 0.00 H ATOM 1405 H VAL A 140 -14.771 4.861 -10.815 1.00 0.00 H ATOM 1406 N SER A 141 -11.630 5.002 -10.004 1.00 21.81 N ATOM 1407 CA SER A 141 -10.340 4.526 -9.585 1.00 20.45 C ATOM 1408 C SER A 141 -9.385 4.551 -10.766 1.00 22.35 C ATOM 1409 O SER A 141 -9.811 4.365 -11.950 1.00 23.74 O ATOM 1410 CB SER A 141 -10.447 3.113 -8.999 1.00 20.89 C ATOM 1411 OG SER A 141 -9.177 2.451 -8.918 1.00 20.81 O ATOM 1412 HA SER A 141 -9.954 5.180 -8.803 1.00 0.00 H ATOM 1413 HB2 SER A 141 -11.109 2.522 -9.631 1.00 0.00 H ATOM 1414 HB3 SER A 141 -10.870 3.182 -7.997 1.00 0.00 H ATOM 1415 HG SER A 141 -8.569 2.975 -8.339 1.00 0.00 H ATOM 1416 H SER A 141 -12.162 4.458 -10.713 1.00 0.00 H ATOM 1417 N ARG A 142 -8.134 4.827 -10.420 1.00 22.62 N ATOM 1418 CA ARG A 142 -6.987 4.734 -11.349 1.00 22.30 C ATOM 1419 C ARG A 142 -6.349 3.350 -11.325 1.00 23.26 C ATOM 1420 O ARG A 142 -5.423 3.109 -12.098 1.00 24.73 O ATOM 1421 CB ARG A 142 -5.967 5.802 -11.017 1.00 20.82 C ATOM 1422 CG ARG A 142 -6.471 7.204 -11.376 1.00 25.33 C ATOM 1423 CD ARG A 142 -5.360 8.245 -11.367 1.00 31.39 C ATOM 1424 NE ARG A 142 -5.736 9.473 -12.118 1.00 38.92 N ATOM 1425 CZ ARG A 142 -5.119 10.668 -12.061 1.00 37.86 C ATOM 1426 NH1 ARG A 142 -4.071 10.871 -11.247 1.00 41.76 N ATOM 1427 NH2 ARG A 142 -5.587 11.693 -12.783 1.00 34.67 N ATOM 1428 HA ARG A 142 -7.358 4.898 -12.361 1.00 0.00 H ATOM 1429 HB2 ARG A 142 -5.754 5.766 -9.949 1.00 0.00 H ATOM 1430 HB3 ARG A 142 -5.052 5.602 -11.575 1.00 0.00 H ATOM 1431 HG2 ARG A 142 -6.912 7.172 -12.372 1.00 0.00 H ATOM 1432 HG3 ARG A 142 -7.231 7.498 -10.652 1.00 0.00 H ATOM 1433 HD2 ARG A 142 -4.469 7.813 -11.823 1.00 0.00 H ATOM 1434 HD3 ARG A 142 -5.142 8.517 -10.334 1.00 0.00 H ATOM 1435 HE ARG A 142 -6.558 9.401 -12.751 1.00 0.00 H ATOM 1436 HH12 ARG A 142 -3.608 11.802 -11.218 1.00 0.00 H ATOM 1437 HH11 ARG A 142 -3.722 10.097 -10.646 1.00 0.00 H ATOM 1438 HH22 ARG A 142 -5.113 12.618 -12.741 1.00 0.00 H ATOM 1439 HH21 ARG A 142 -6.425 11.565 -13.386 1.00 0.00 H ATOM 1440 H ARG A 142 -7.950 5.125 -9.441 1.00 0.00 H ATOM 1441 N ASN A 143 -6.814 2.451 -10.441 1.00 25.24 N ATOM 1442 CA ASN A 143 -6.288 1.108 -10.307 1.00 25.15 C ATOM 1443 C ASN A 143 -7.223 -0.025 -10.758 1.00 24.07 C ATOM 1444 O ASN A 143 -6.764 -1.162 -10.985 1.00 24.52 O ATOM 1445 CB ASN A 143 -5.965 0.795 -8.849 1.00 28.18 C ATOM 1446 CG ASN A 143 -4.903 1.641 -8.309 1.00 31.65 C ATOM 1447 OD1 ASN A 143 -3.954 1.935 -8.998 1.00 36.02 O ATOM 1448 ND2 ASN A 143 -5.032 2.038 -7.037 1.00 38.11 N ATOM 1449 HA ASN A 143 -5.416 1.126 -10.961 1.00 0.00 H ATOM 1450 HB2 ASN A 143 -6.866 0.943 -8.253 1.00 0.00 H ATOM 1451 HB3 ASN A 143 -5.651 -0.246 -8.778 1.00 0.00 H ATOM 1452 HD22 ASN A 143 -5.869 1.757 -6.487 1.00 0.00 H ATOM 1453 HD21 ASN A 143 -4.295 2.627 -6.599 1.00 0.00 H ATOM 1454 H ASN A 143 -7.596 2.736 -9.817 1.00 0.00 H ATOM 1455 N GLN A 144 -8.518 0.246 -10.786 1.00 24.41 N ATOM 1456 CA GLN A 144 -9.506 -0.714 -11.246 1.00 24.74 C ATOM 1457 C GLN A 144 -10.602 0.047 -11.959 1.00 23.46 C ATOM 1458 O GLN A 144 -10.760 1.241 -11.781 1.00 23.37 O ATOM 1459 CB GLN A 144 -10.184 -1.487 -10.080 1.00 26.84 C ATOM 1460 CG GLN A 144 -9.229 -2.250 -9.098 1.00 28.50 C ATOM 1461 CD GLN A 144 -8.664 -1.385 -7.930 1.00 35.61 C ATOM 1462 OE1 GLN A 144 -9.174 -0.312 -7.627 1.00 36.87 O ATOM 1463 NE2 GLN A 144 -7.606 -1.889 -7.263 1.00 38.40 N ATOM 1464 HA GLN A 144 -8.990 -1.430 -11.886 1.00 0.00 H ATOM 1465 HB2 GLN A 144 -10.756 -0.768 -9.494 1.00 0.00 H ATOM 1466 HB3 GLN A 144 -10.863 -2.219 -10.518 1.00 0.00 H ATOM 1467 HG2 GLN A 144 -9.782 -3.084 -8.666 1.00 0.00 H ATOM 1468 HG3 GLN A 144 -8.387 -2.634 -9.674 1.00 0.00 H ATOM 1469 HE22 GLN A 144 -7.199 -2.803 -7.548 1.00 0.00 H ATOM 1470 HE21 GLN A 144 -7.197 -1.364 -6.464 1.00 0.00 H ATOM 1471 H GLN A 144 -8.840 1.182 -10.467 1.00 0.00 H ATOM 1472 N GLN A 145 -11.377 -0.676 -12.744 1.00 22.01 N ATOM 1473 CA GLN A 145 -12.584 -0.140 -13.336 1.00 22.73 C ATOM 1474 C GLN A 145 -13.722 -0.320 -12.370 1.00 23.73 C ATOM 1475 O GLN A 145 -14.260 -1.415 -12.235 1.00 23.98 O ATOM 1476 CB GLN A 145 -12.904 -0.872 -14.642 1.00 22.07 C ATOM 1477 CG GLN A 145 -11.881 -0.565 -15.707 1.00 23.52 C ATOM 1478 CD GLN A 145 -11.879 0.906 -16.099 1.00 23.87 C ATOM 1479 OE1 GLN A 145 -11.279 1.728 -15.425 1.00 26.17 O ATOM 1480 NE2 GLN A 145 -12.560 1.234 -17.167 1.00 24.39 N ATOM 1481 HA GLN A 145 -12.440 0.918 -13.553 1.00 0.00 H ATOM 1482 HB2 GLN A 145 -12.911 -1.946 -14.455 1.00 0.00 H ATOM 1483 HB3 GLN A 145 -13.887 -0.559 -14.993 1.00 0.00 H ATOM 1484 HG2 GLN A 145 -10.893 -0.829 -15.331 1.00 0.00 H ATOM 1485 HG3 GLN A 145 -12.104 -1.163 -16.590 1.00 0.00 H ATOM 1486 HE22 GLN A 145 -13.057 0.501 -17.712 1.00 0.00 H ATOM 1487 HE21 GLN A 145 -12.605 2.228 -17.470 1.00 0.00 H ATOM 1488 H GLN A 145 -11.113 -1.662 -12.944 1.00 0.00 H ATOM 1489 N ILE A 146 -14.051 0.774 -11.688 1.00 22.90 N ATOM 1490 CA ILE A 146 -15.100 0.811 -10.679 1.00 23.74 C ATOM 1491 C ILE A 146 -16.076 1.906 -11.072 1.00 22.21 C ATOM 1492 O ILE A 146 -15.710 3.054 -11.101 1.00 22.29 O ATOM 1493 CB ILE A 146 -14.542 1.087 -9.232 1.00 25.44 C ATOM 1494 CG1 ILE A 146 -13.488 0.058 -8.821 1.00 25.56 C ATOM 1495 CG2 ILE A 146 -15.742 0.997 -8.232 1.00 22.68 C ATOM 1496 CD1 ILE A 146 -12.820 0.338 -7.442 1.00 29.07 C ATOM 1497 HA ILE A 146 -15.584 -0.165 -10.642 1.00 0.00 H ATOM 1498 HB ILE A 146 -14.073 2.071 -9.220 1.00 0.00 H ATOM 1499 HG12 ILE A 146 -13.966 -0.921 -8.776 1.00 0.00 H ATOM 1500 HG13 ILE A 146 -12.708 0.046 -9.582 1.00 0.00 H ATOM 1501 HD11 ILE A 146 -12.324 1.308 -7.470 1.00 0.00 H ATOM 1502 HD12 ILE A 146 -13.583 0.341 -6.664 1.00 0.00 H ATOM 1503 HD13 ILE A 146 -12.087 -0.440 -7.230 1.00 0.00 H ATOM 1504 HG21 ILE A 146 -16.491 1.743 -8.498 1.00 0.00 H ATOM 1505 HG22 ILE A 146 -16.183 0.002 -8.285 1.00 0.00 H ATOM 1506 HG23 ILE A 146 -15.384 1.184 -7.220 1.00 0.00 H ATOM 1507 H ILE A 146 -13.530 1.652 -11.887 1.00 0.00 H ATOM 1508 N PHE A 147 -17.330 1.562 -11.389 1.00 22.64 N ATOM 1509 CA PHE A 147 -18.313 2.559 -11.803 1.00 22.46 C ATOM 1510 C PHE A 147 -19.386 2.620 -10.738 1.00 21.38 C ATOM 1511 O PHE A 147 -19.853 1.573 -10.278 1.00 22.66 O ATOM 1512 CB PHE A 147 -18.982 2.155 -13.093 1.00 23.18 C ATOM 1513 CG PHE A 147 -18.007 1.937 -14.171 1.00 20.26 C ATOM 1514 CD1 PHE A 147 -17.459 0.681 -14.390 1.00 26.60 C ATOM 1515 CD2 PHE A 147 -17.533 3.034 -14.891 1.00 25.87 C ATOM 1516 CE1 PHE A 147 -16.507 0.461 -15.408 1.00 24.89 C ATOM 1517 CE2 PHE A 147 -16.514 2.818 -15.907 1.00 24.74 C ATOM 1518 CZ PHE A 147 -16.015 1.512 -16.125 1.00 27.01 C ATOM 1519 HA PHE A 147 -17.809 3.516 -11.942 1.00 0.00 H ATOM 1520 HB2 PHE A 147 -19.538 1.232 -12.928 1.00 0.00 H ATOM 1521 HB3 PHE A 147 -19.671 2.944 -13.395 1.00 0.00 H ATOM 1522 HD2 PHE A 147 -17.919 4.035 -14.696 1.00 0.00 H ATOM 1523 HE2 PHE A 147 -16.138 3.655 -16.495 1.00 0.00 H ATOM 1524 HZ PHE A 147 -15.235 1.345 -16.868 1.00 0.00 H ATOM 1525 HE1 PHE A 147 -16.164 -0.551 -15.622 1.00 0.00 H ATOM 1526 HD1 PHE A 147 -17.771 -0.154 -13.762 1.00 0.00 H ATOM 1527 H PHE A 147 -17.611 0.562 -11.339 1.00 0.00 H ATOM 1528 N LEU A 148 -19.752 3.837 -10.385 1.00 21.63 N ATOM 1529 CA LEU A 148 -20.752 4.074 -9.328 1.00 20.42 C ATOM 1530 C LEU A 148 -22.105 3.461 -9.663 1.00 21.94 C ATOM 1531 O LEU A 148 -22.629 3.618 -10.763 1.00 20.93 O ATOM 1532 CB LEU A 148 -20.898 5.565 -8.979 1.00 19.12 C ATOM 1533 CG LEU A 148 -19.616 6.226 -8.512 1.00 19.07 C ATOM 1534 CD1 LEU A 148 -19.844 7.676 -8.207 1.00 17.75 C ATOM 1535 CD2 LEU A 148 -18.978 5.535 -7.258 1.00 22.56 C ATOM 1536 HA LEU A 148 -20.371 3.567 -8.441 1.00 0.00 H ATOM 1537 HB2 LEU A 148 -21.249 6.091 -9.867 1.00 0.00 H ATOM 1538 HB3 LEU A 148 -21.639 5.659 -8.185 1.00 0.00 H ATOM 1539 HG LEU A 148 -18.914 6.119 -9.339 1.00 0.00 H ATOM 1540 HD21 LEU A 148 -19.684 5.568 -6.428 1.00 0.00 H ATOM 1541 HD22 LEU A 148 -18.743 4.498 -7.496 1.00 0.00 H ATOM 1542 HD23 LEU A 148 -18.065 6.061 -6.980 1.00 0.00 H ATOM 1543 HD11 LEU A 148 -20.195 8.184 -9.105 1.00 0.00 H ATOM 1544 HD12 LEU A 148 -20.593 7.767 -7.421 1.00 0.00 H ATOM 1545 HD13 LEU A 148 -18.909 8.127 -7.874 1.00 0.00 H ATOM 1546 H LEU A 148 -19.323 4.653 -10.866 1.00 0.00 H ATOM 1547 N ARG A 149 -22.665 2.706 -8.742 1.00 19.89 N ATOM 1548 CA ARG A 149 -24.048 2.255 -8.937 1.00 22.43 C ATOM 1549 C ARG A 149 -24.756 2.425 -7.618 1.00 23.54 C ATOM 1550 O ARG A 149 -24.128 2.349 -6.571 1.00 23.85 O ATOM 1551 CB ARG A 149 -24.123 0.784 -9.333 1.00 23.22 C ATOM 1552 CG ARG A 149 -23.189 -0.135 -8.500 1.00 27.02 C ATOM 1553 CD ARG A 149 -23.354 -1.643 -8.890 1.00 31.09 C ATOM 1554 NE ARG A 149 -24.772 -2.038 -8.966 1.00 35.37 N ATOM 1555 CZ ARG A 149 -25.234 -3.033 -9.735 1.00 39.44 C ATOM 1556 NH1 ARG A 149 -24.387 -3.745 -10.470 1.00 36.82 N ATOM 1557 NH2 ARG A 149 -26.528 -3.334 -9.768 1.00 41.30 N ATOM 1558 HA ARG A 149 -24.501 2.838 -9.739 1.00 0.00 H ATOM 1559 HB2 ARG A 149 -25.150 0.443 -9.200 1.00 0.00 H ATOM 1560 HB3 ARG A 149 -23.846 0.696 -10.383 1.00 0.00 H ATOM 1561 HG2 ARG A 149 -22.155 0.163 -8.673 1.00 0.00 H ATOM 1562 HG3 ARG A 149 -23.428 -0.016 -7.443 1.00 0.00 H ATOM 1563 HD2 ARG A 149 -22.856 -2.258 -8.140 1.00 0.00 H ATOM 1564 HD3 ARG A 149 -22.889 -1.809 -9.862 1.00 0.00 H ATOM 1565 HE ARG A 149 -25.457 -1.511 -8.387 1.00 0.00 H ATOM 1566 HH12 ARG A 149 -24.741 -4.518 -11.069 1.00 0.00 H ATOM 1567 HH11 ARG A 149 -23.370 -3.529 -10.447 1.00 0.00 H ATOM 1568 HH22 ARG A 149 -26.866 -4.110 -10.372 1.00 0.00 H ATOM 1569 HH21 ARG A 149 -27.203 -2.793 -9.190 1.00 0.00 H ATOM 1570 H ARG A 149 -22.136 2.433 -7.889 1.00 0.00 H ATOM 1571 N ASP A 150 -26.054 2.609 -7.685 1.00 24.64 N ATOM 1572 CA ASP A 150 -26.849 2.851 -6.477 1.00 25.51 C ATOM 1573 C ASP A 150 -26.849 1.669 -5.517 1.00 24.49 C ATOM 1574 O ASP A 150 -26.952 0.545 -5.926 1.00 24.51 O ATOM 1575 CB ASP A 150 -28.276 3.160 -6.872 1.00 27.60 C ATOM 1576 CG ASP A 150 -28.424 4.571 -7.437 1.00 25.70 C ATOM 1577 OD1 ASP A 150 -27.506 5.385 -7.259 1.00 30.54 O ATOM 1578 OD2 ASP A 150 -29.463 4.839 -8.056 1.00 31.77 O ATOM 1579 HA ASP A 150 -26.391 3.693 -5.958 1.00 0.00 H ATOM 1580 HB2 ASP A 150 -28.594 2.443 -7.629 1.00 0.00 H ATOM 1581 HB3 ASP A 150 -28.913 3.065 -5.992 1.00 0.00 H ATOM 1582 H ASP A 150 -26.527 2.583 -8.611 1.00 0.00 H ATOM 1583 N ILE A 151 -26.806 1.952 -4.217 1.00 23.52 N ATOM 1584 CA ILE A 151 -26.970 0.883 -3.227 1.00 23.37 C ATOM 1585 C ILE A 151 -28.287 0.112 -3.448 1.00 25.38 C ATOM 1586 O ILE A 151 -29.265 0.681 -3.896 1.00 25.75 O ATOM 1587 CB ILE A 151 -26.980 1.480 -1.790 1.00 22.55 C ATOM 1588 CG1 ILE A 151 -27.951 2.654 -1.692 1.00 25.26 C ATOM 1589 CG2 ILE A 151 -25.565 1.852 -1.400 1.00 21.34 C ATOM 1590 CD1 ILE A 151 -28.154 3.166 -0.340 1.00 33.14 C ATOM 1591 HA ILE A 151 -26.131 0.197 -3.345 1.00 0.00 H ATOM 1592 HB ILE A 151 -27.340 0.735 -1.080 1.00 0.00 H ATOM 1593 HG12 ILE A 151 -27.566 3.466 -2.309 1.00 0.00 H ATOM 1594 HG13 ILE A 151 -28.916 2.330 -2.081 1.00 0.00 H ATOM 1595 HD11 ILE A 151 -28.553 2.372 0.292 1.00 0.00 H ATOM 1596 HD12 ILE A 151 -27.202 3.509 0.064 1.00 0.00 H ATOM 1597 HD13 ILE A 151 -28.858 3.997 -0.370 1.00 0.00 H ATOM 1598 HG21 ILE A 151 -24.937 0.962 -1.424 1.00 0.00 H ATOM 1599 HG22 ILE A 151 -25.178 2.590 -2.102 1.00 0.00 H ATOM 1600 HG23 ILE A 151 -25.565 2.271 -0.394 1.00 0.00 H ATOM 1601 H ILE A 151 -26.656 2.932 -3.903 1.00 0.00 H ATOM 1602 N GLU A 152 -28.297 -1.170 -3.129 1.00 28.92 N ATOM 1603 CA GLU A 152 -29.523 -1.969 -3.118 1.00 34.19 C ATOM 1604 C GLU A 152 -30.737 -1.316 -2.445 1.00 39.46 C ATOM 1605 O GLU A 152 -31.759 -1.057 -3.139 1.00 42.86 O ATOM 1606 CB GLU A 152 -29.249 -3.330 -2.488 1.00 33.24 C ATOM 1607 CG GLU A 152 -28.287 -4.233 -3.259 1.00 33.27 C ATOM 1608 CD GLU A 152 -27.615 -5.288 -2.334 1.00 29.61 C ATOM 1609 OE1 GLU A 152 -28.180 -5.561 -1.258 1.00 35.94 O ATOM 1610 OE2 GLU A 152 -26.537 -5.800 -2.631 1.00 15.15 O ATOM 1611 HA GLU A 152 -29.804 -2.067 -4.167 1.00 0.00 H ATOM 1612 HB2 GLU A 152 -28.830 -3.162 -1.496 1.00 0.00 H ATOM 1613 HB3 GLU A 152 -30.200 -3.854 -2.395 1.00 0.00 H ATOM 1614 HG2 GLU A 152 -28.841 -4.752 -4.042 1.00 0.00 H ATOM 1615 HG3 GLU A 152 -27.511 -3.616 -3.712 1.00 0.00 H ATOM 1616 H GLU A 152 -27.399 -1.629 -2.876 1.00 0.00 H ATOM 1617 N GLN A 153 -30.650 -1.136 -1.134 1.00 44.14 N ATOM 1618 CA GLN A 153 -31.676 -0.527 -0.264 1.00 48.66 C ATOM 1619 C GLN A 153 -32.624 -1.454 0.550 1.00 50.51 C ATOM 1620 O GLN A 153 -33.442 -2.130 -0.005 1.00 52.50 O ATOM 1621 CB GLN A 153 -32.497 0.473 -1.034 1.00 49.61 C ATOM 1622 CG GLN A 153 -32.066 1.836 -0.778 1.00 55.12 C ATOM 1623 CD GLN A 153 -31.763 2.061 0.664 1.00 62.13 C ATOM 1624 OE1 GLN A 153 -30.651 2.396 1.038 1.00 64.33 O ATOM 1625 NE2 GLN A 153 -32.768 1.923 1.484 1.00 62.78 N ATOM 1626 HA GLN A 153 -31.061 -0.066 0.509 1.00 0.00 H ATOM 1627 HB2 GLN A 153 -32.398 0.266 -2.099 1.00 0.00 H ATOM 1628 HB3 GLN A 153 -33.542 0.372 -0.741 1.00 0.00 H ATOM 1629 HG2 GLN A 153 -31.169 2.038 -1.363 1.00 0.00 H ATOM 1630 HG3 GLN A 153 -32.858 2.520 -1.083 1.00 0.00 H ATOM 1631 HE22 GLN A 153 -33.699 1.635 1.121 1.00 0.00 H ATOM 1632 HE21 GLN A 153 -32.638 2.101 2.500 1.00 0.00 H ATOM 1633 H GLN A 153 -29.774 -1.455 -0.674 1.00 0.00 H ATOM 1634 N VAL A 154 -32.522 -1.423 1.869 1.00 52.18 N ATOM 1635 CA VAL A 154 -33.358 -2.242 2.774 1.00 52.95 C ATOM 1636 C VAL A 154 -34.854 -2.079 2.485 1.00 53.65 C ATOM 1637 O VAL A 154 -35.523 -3.050 2.109 1.00 54.16 O ATOM 1638 CB VAL A 154 -33.055 -1.967 4.301 1.00 53.42 C ATOM 1639 CG1 VAL A 154 -34.157 -2.564 5.210 1.00 53.20 C ATOM 1640 CG2 VAL A 154 -31.652 -2.504 4.716 1.00 53.03 C ATOM 1641 HA VAL A 154 -33.086 -3.277 2.568 1.00 0.00 H ATOM 1642 HB VAL A 154 -33.051 -0.885 4.436 1.00 0.00 H ATOM 1643 HG11 VAL A 154 -35.117 -2.112 4.960 1.00 0.00 H ATOM 1644 HG12 VAL A 154 -34.210 -3.642 5.055 1.00 0.00 H ATOM 1645 HG13 VAL A 154 -33.918 -2.357 6.253 1.00 0.00 H ATOM 1646 HG21 VAL A 154 -31.611 -3.580 4.546 1.00 0.00 H ATOM 1647 HG22 VAL A 154 -30.885 -2.011 4.119 1.00 0.00 H ATOM 1648 HG23 VAL A 154 -31.482 -2.295 5.772 1.00 0.00 H ATOM 1649 H VAL A 154 -31.815 -0.788 2.293 1.00 0.00 H TER 1650 VAL A 154 HETATM 1651 O HOH 1 -6.521 0.975 -5.124 1.00 35.42 O HETATM 1652 O HOH 2 -9.358 4.417 0.802 1.00 28.56 O HETATM 1653 O HOH 3 -9.278 14.217 5.859 1.00 24.85 O HETATM 1654 O HOH 4 -14.702 11.252 8.280 1.00 22.54 O HETATM 1655 O HOH 5 -15.303 9.447 10.319 1.00 27.69 O HETATM 1656 O HOH 6 -17.954 11.049 7.281 1.00 22.73 O HETATM 1657 O HOH 7 -15.056 6.421 11.519 1.00 29.35 O HETATM 1658 O HOH 8 -10.909 3.107 7.004 1.00 36.46 O HETATM 1659 O HOH 9 -26.072 4.615 -3.532 1.00 31.79 O HETATM 1660 O HOH 10 -20.687 -0.921 -10.834 1.00 37.69 O HETATM 1661 O HOH 11 -22.181 1.674 -15.138 1.00 31.65 O HETATM 1662 O HOH 12 -18.083 -1.408 -11.231 1.00 28.67 O HETATM 1663 O HOH 13 -3.960 -2.018 -10.355 1.00 32.76 O HETATM 1664 O HOH 14 -18.737 9.434 -17.562 1.00 26.76 O HETATM 1665 O HOH 15 -25.942 3.716 -12.789 1.00 30.55 O HETATM 1666 O HOH 16 -13.334 13.977 -11.254 1.00 28.24 O HETATM 1667 O HOH 17 -12.019 11.404 -16.464 1.00 35.33 O HETATM 1668 O HOH 18 -11.421 12.714 -13.971 1.00 36.32 O HETATM 1669 O HOH 19 -22.428 14.179 -15.020 1.00 37.15 O HETATM 1670 O HOH 20 -29.268 12.423 -11.054 1.00 25.12 O HETATM 1671 O HOH 21 -27.613 10.324 -9.034 1.00 26.70 O HETATM 1672 O HOH 22 -21.038 20.636 -14.144 1.00 20.70 O HETATM 1673 O HOH 23 -28.148 16.927 -12.255 1.00 34.17 O HETATM 1674 O HOH 24 -14.275 26.830 -12.150 1.00 29.57 O HETATM 1675 O HOH 25 -23.352 22.066 -4.359 1.00 23.97 O HETATM 1676 O HOH 26 -15.932 18.549 -0.610 1.00 22.73 O HETATM 1677 O HOH 27 -12.147 16.850 0.270 1.00 29.21 O HETATM 1678 O HOH 28 -14.409 -4.666 5.222 1.00 35.41 O HETATM 1679 O HOH 29 -18.455 17.134 9.623 1.00 23.57 O HETATM 1680 O HOH 30 -16.201 -5.610 -10.361 1.00 19.68 O HETATM 1681 O HOH 31 -19.504 -6.975 -8.273 1.00 28.40 O HETATM 1682 O HOH 32 -24.955 -3.787 -4.137 1.00 21.16 O HETATM 1683 O HOH 33 -25.886 -2.140 -6.250 1.00 29.93 O HETATM 1684 O HOH 34 -28.869 -3.141 -7.307 1.00 43.05 O HETATM 1685 O HOH 35 -29.431 -6.412 -6.393 1.00 36.05 O HETATM 1686 O HOH 36 -27.423 2.416 -10.372 1.00 27.94 O HETATM 1687 O HOH 37 -23.296 1.637 -13.210 1.00 25.01 O HETATM 1688 O HOH 38 -2.785 9.069 -9.662 1.00 39.15 O HETATM 1689 O HOH 39 -14.636 11.207 -19.581 1.00 30.16 O HETATM 1690 O HOH 40 -22.908 9.020 -16.703 1.00 29.03 O HETATM 1691 O HOH 41 -10.210 27.564 -10.209 1.00 37.53 O HETATM 1692 O HOH 42 -16.100 21.333 0.206 1.00 35.52 O HETATM 1693 O HOH 43 -25.794 -2.299 2.795 1.00 31.23 O HETATM 1694 O HOH 44 -26.023 -0.624 7.864 1.00 26.73 O HETATM 1695 O HOH 45 -23.870 -2.265 13.521 1.00 32.82 O HETATM 1696 O HOH 46 -22.652 0.991 14.303 1.00 30.66 O HETATM 1697 O HOH 47 -8.610 2.808 -6.262 1.00 29.91 O HETATM 1698 O HOH 48 -7.520 4.945 -7.499 1.00 22.25 O HETATM 1699 O HOH 49 -18.215 17.606 6.327 1.00 17.72 O HETATM 1700 O HOH 50 -21.051 -4.041 -10.222 1.00 30.74 O HETATM 1701 O HOH 51 -17.465 -8.811 -0.459 1.00 43.93 O HETATM 1702 O HOH 52 -8.804 0.788 0.088 1.00 33.35 O HETATM 1703 O HOH 53 -5.810 14.967 -9.353 1.00 28.34 O HETATM 1704 O HOH 54 -23.713 -4.313 9.976 1.00 25.78 O HETATM 1705 O HOH 55 -4.763 5.615 -6.527 1.00 32.60 O HETATM 1706 O HOH 56 -9.945 9.462 8.491 1.00 37.39 O HETATM 1707 O HOH 57 -4.590 9.389 2.091 1.00 37.84 O HETATM 1708 O HOH 58 -4.839 11.607 -0.052 1.00 25.43 O HETATM 1709 C ACE A 59 -7.607 7.337 2.536 1.00 0.18 C HETATM 1710 O ACE A 59 -8.742 6.841 2.657 1.00 -0.40 O HETATM 1711 CH3 ACE A 59 -6.565 7.191 3.660 1.00 0.03 C HETATM 1712 H1 ACE A 59 -5.633 7.694 3.364 1.00 0.05 H HETATM 1713 H2 ACE A 59 -6.365 6.124 3.838 1.00 0.05 H HETATM 1714 H3 ACE A 59 -6.953 7.650 4.581 1.00 0.05 H HETATM 1715 N ACE A 59 -7.151 8.010 1.460 1.00 -0.26 N HETATM 1716 CA ACE A 59 -8.037 8.276 0.283 1.00 0.15 C HETATM 1717 C ACE A 59 -7.312 7.882 -1.000 1.00 0.20 C HETATM 1718 O ACE A 59 -6.129 8.146 -1.145 1.00 -0.39 O HETATM 1719 N ACE A 59 -8.046 7.235 -1.866 1.00 -0.27 N HETATM 1720 CA ACE A 59 -7.441 6.753 -3.118 1.00 0.13 C HETATM 1721 C ACE A 59 -6.755 7.922 -3.905 1.00 0.23 C HETATM 1722 O ACE A 59 -5.723 7.791 -4.608 1.00 -0.34 O HETATM 1723 N ACE A 59 -7.388 9.061 -3.811 1.00 -0.26 N HETATM 1724 CA ACE A 59 -6.986 10.265 -4.546 1.00 0.15 C HETATM 1725 C ACE A 59 -6.289 11.269 -3.632 1.00 0.20 C HETATM 1726 O ACE A 59 -6.169 12.415 -3.995 1.00 -0.39 O HETATM 1727 N ACE A 59 -5.730 10.858 -2.475 1.00 -0.30 N HETATM 1728 H25 ACE A 59 -5.274 11.518 -1.878 1.00 0.18 H HETATM 1729 H26 ACE A 59 -5.772 9.893 -2.215 1.00 0.18 H HETATM 1730 CB ACE A 59 -8.203 10.852 -5.348 1.00 0.08 C HETATM 1731 CG ACE A 59 -9.351 11.423 -4.433 1.00 0.18 C HETATM 1732 OD1 ACE A 59 -9.373 11.126 -3.222 1.00 -0.40 O HETATM 1733 ND2 ACE A 59 -10.168 12.326 -4.986 1.00 -0.30 N HETATM 1734 H23 ACE A 59 -10.914 12.721 -4.449 1.00 0.18 H HETATM 1735 H24 ACE A 59 -10.033 12.607 -5.936 1.00 0.18 H HETATM 1736 H21 ACE A 59 -8.624 10.052 -5.974 1.00 0.06 H HETATM 1737 H22 ACE A 59 -7.835 11.665 -5.991 1.00 0.06 H HETATM 1738 H20 ACE A 59 -6.240 9.955 -5.292 1.00 0.08 H HETATM 1739 H19 ACE A 59 -8.185 9.114 -3.209 1.00 0.19 H HETATM 1740 CB1 ACE A 59 -6.651 5.450 -2.935 1.00 -0.02 C HETATM 1741 CG ACE A 59 -7.883 4.611 -3.357 1.00 -0.05 C HETATM 1742 CB2 ACE A 59 -8.511 5.929 -3.870 1.00 -0.02 C HETATM 1743 H17 ACE A 59 -8.476 6.044 -4.963 1.00 0.03 H HETATM 1744 H18 ACE A 59 -9.538 6.102 -3.516 1.00 0.03 H HETATM 1745 H15 ACE A 59 -8.424 4.138 -2.524 1.00 0.03 H HETATM 1746 H16 ACE A 59 -7.684 3.862 -4.138 1.00 0.03 H HETATM 1747 H13 ACE A 59 -6.323 5.270 -1.901 1.00 0.03 H HETATM 1748 H14 ACE A 59 -5.792 5.351 -3.615 1.00 0.03 H HETATM 1749 H12 ACE A 59 -9.014 7.068 -1.679 1.00 0.18 H HETATM 1750 CB ACE A 59 -8.445 9.758 0.214 1.00 0.04 C HETATM 1751 CG ACE A 59 -9.142 10.179 1.511 1.00 -0.00 C HETATM 1752 CD1 ACE A 59 -8.355 10.642 2.565 1.00 -0.02 C HETATM 1753 CE1 ACE A 59 -8.997 10.983 3.739 1.00 0.01 C HETATM 1754 CZ ACE A 59 -10.360 10.828 3.911 1.00 0.17 C HETATM 1755 CE2 ACE A 59 -11.170 10.379 2.871 1.00 0.01 C HETATM 1756 CD2 ACE A 59 -10.528 10.039 1.651 1.00 -0.02 C HETATM 1757 H9 ACE A 59 -11.117 9.668 0.820 1.00 0.07 H HETATM 1758 H11 ACE A 59 -12.244 10.293 2.988 1.00 0.07 H HETATM 1759 OH ACE A 59 -10.811 11.205 5.170 1.00 -0.20 O HETATM 1760 P ACE A 59 -12.333 10.837 5.662 1.00 0.13 P HETATM 1761 O1P ACE A 59 -13.289 11.908 5.199 1.00 -0.67 O HETATM 1762 O2P ACE A 59 -12.642 9.497 5.378 1.00 -0.67 O HETATM 1763 O3P ACE A 59 -12.140 10.995 7.260 1.00 -0.67 O HETATM 1764 H10 ACE A 59 -8.411 11.387 4.556 1.00 0.07 H HETATM 1765 H8 ACE A 59 -7.279 10.731 2.466 1.00 0.07 H HETATM 1766 H6 ACE A 59 -9.133 9.906 -0.632 1.00 0.06 H HETATM 1767 H7 ACE A 59 -7.546 10.375 0.068 1.00 0.06 H HETATM 1768 H5 ACE A 59 -8.947 7.665 0.382 1.00 0.08 H HETATM 1769 H4 ACE A 59 -6.206 8.337 1.448 1.00 0.19 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 1709 1710 1711 1715 CONECT 1710 1709 CONECT 1711 1709 1712 1713 1714 CONECT 1712 1711 CONECT 1713 1711 CONECT 1714 1711 CONECT 1715 1709 1716 1769 CONECT 1716 1715 1717 1750 1768 CONECT 1717 1716 1718 1719 CONECT 1718 1717 CONECT 1719 1717 1720 1749 CONECT 1720 1719 1721 1740 1742 CONECT 1721 1720 1722 1723 CONECT 1722 1721 CONECT 1723 1721 1724 1739 CONECT 1724 1723 1725 1730 1738 CONECT 1725 1724 1726 1727 CONECT 1726 1725 CONECT 1727 1725 1728 1729 CONECT 1728 1727 CONECT 1729 1727 CONECT 1730 1724 1731 1736 1737 CONECT 1731 1730 1732 1733 CONECT 1732 1731 CONECT 1733 1731 1734 1735 CONECT 1734 1733 CONECT 1735 1733 CONECT 1736 1730 CONECT 1737 1730 CONECT 1738 1724 CONECT 1739 1723 CONECT 1740 1720 1741 1747 1748 CONECT 1741 1740 1742 1745 1746 CONECT 1742 1720 1741 1743 1744 CONECT 1743 1742 CONECT 1744 1742 CONECT 1745 1741 CONECT 1746 1741 CONECT 1747 1740 CONECT 1748 1740 CONECT 1749 1719 CONECT 1750 1716 1751 1766 1767 CONECT 1751 1750 1752 1756 CONECT 1752 1751 1753 1765 CONECT 1753 1752 1754 1764 CONECT 1754 1753 1755 1759 CONECT 1755 1754 1756 1758 CONECT 1756 1751 1755 1757 CONECT 1757 1756 CONECT 1758 1755 CONECT 1759 1754 1760 CONECT 1760 1759 1761 1762 1763 CONECT 1761 1760 CONECT 1762 1760 CONECT 1763 1760 CONECT 1764 1753 CONECT 1765 1752 CONECT 1766 1750 CONECT 1767 1750 CONECT 1768 1716 CONECT 1769 1715 MASTER 0 0 0 0 0 0 0 0 1768 1 65 8 END
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Related entries of code: 3s8l
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
117aa, >1BM2_1|Chain... at 100%
1bmb
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PDBbind
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1cj1
RCSB PDB
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PDBbind
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1jyq
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PDBbind
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1tze
RCSB PDB
PDBbind
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1x0n
RCSB PDB
PDBbind
104aa, >1X0N_1|Chain... at 98%
1zfp
RCSB PDB
PDBbind
98aa, >1ZFP_1|Chain... at 100%
3mxc
RCSB PDB
PDBbind
101aa, >3MXC_1|Chain... at 97%
3mxy
RCSB PDB
PDBbind
101aa, >3MXY_1|Chain... at 97%
3ov1
RCSB PDB
PDBbind
117aa, >3OV1_1|Chain... at 94%
3ove
RCSB PDB
PDBbind
117aa, >3OVE_1|Chain... at 94%
3s8n
RCSB PDB
PDBbind
117aa, >3S8N_1|Chain... at 94%
3s8o
RCSB PDB
PDBbind
117aa, >3S8O_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1apv
RCSB PDB
PDBbind
5-mer
1apw
RCSB PDB
PDBbind
5-mer
1b6j
RCSB PDB
PDBbind
5-mer
1bhf
RCSB PDB
PDBbind
5-mer
1cpi
RCSB PDB
PDBbind
5-mer
1f1j
RCSB PDB
PDBbind
5-mer
1f9e
RCSB PDB
PDBbind
5-mer
1fch
RCSB PDB
PDBbind
5-mer
1fiv
RCSB PDB
PDBbind
5-mer
1fyr
RCSB PDB
PDBbind
5-mer
1gny
RCSB PDB
PDBbind
5-mer
1gu3
RCSB PDB
PDBbind
5-mer
1h5v
RCSB PDB
PDBbind
5-mer
1h9l
RCSB PDB
PDBbind
5-mer
1hef
RCSB PDB
PDBbind
5-mer
1iau
RCSB PDB
PDBbind
5-mer
1jq8
RCSB PDB
PDBbind
5-mer
1jq9
RCSB PDB
PDBbind
5-mer
1k9q
RCSB PDB
PDBbind
5-mer
1m7i
RCSB PDB
PDBbind
5-mer
1mf4
RCSB PDB
PDBbind
5-mer
1mhw
RCSB PDB
PDBbind
5-mer
1nh0
RCSB PDB
PDBbind
5-mer
1ny2
RCSB PDB
PDBbind
5-mer
1o9d
RCSB PDB
PDBbind
5-mer
1p02
RCSB PDB
PDBbind
5-mer
1p03
RCSB PDB
PDBbind
5-mer
1p04
RCSB PDB
PDBbind
5-mer
1p05
RCSB PDB
PDBbind
5-mer
1p06
RCSB PDB
PDBbind
5-mer
1p10
RCSB PDB
PDBbind
5-mer
1pau
RCSB PDB
PDBbind
5-mer
1qm5
RCSB PDB
PDBbind
5-mer
1qtn
RCSB PDB
PDBbind
5-mer
1shd
RCSB PDB
PDBbind
5-mer
1t37
RCSB PDB
PDBbind
5-mer
1tmb
RCSB PDB
PDBbind
5-mer
1w9u
RCSB PDB
PDBbind
5-mer
1w9v
RCSB PDB
PDBbind
5-mer
1waw
RCSB PDB
PDBbind
5-mer
1wb0
RCSB PDB
PDBbind
5-mer
1ym4
RCSB PDB
PDBbind
5-mer
1zm6
RCSB PDB
PDBbind
5-mer
2bcd
RCSB PDB
PDBbind
5-mer
2ce9
RCSB PDB
PDBbind
5-mer
2fgu
RCSB PDB
PDBbind
5-mer
2fgv
RCSB PDB
PDBbind
5-mer
2h5d
RCSB PDB
PDBbind
5-mer
2h5i
RCSB PDB
PDBbind
5-mer
2h5j
RCSB PDB
PDBbind
5-mer
2j9a
RCSB PDB
PDBbind
5-mer
2k1q
RCSB PDB
PDBbind
5-mer
2l6j
RCSB PDB
PDBbind
5-mer
2lpr
RCSB PDB
PDBbind
5-mer
2m0u
RCSB PDB
PDBbind
5-mer
2m0v
RCSB PDB
PDBbind
5-mer
2pcu
RCSB PDB
PDBbind
5-mer
2ql5
RCSB PDB
PDBbind
5-mer
2ql7
RCSB PDB
PDBbind
5-mer
2ql9
RCSB PDB
PDBbind
5-mer
2qlb
RCSB PDB
PDBbind
5-mer
2qlf
RCSB PDB
PDBbind
5-mer
2qlj
RCSB PDB
PDBbind
5-mer
3atw
RCSB PDB
PDBbind
5-mer
3ayc
RCSB PDB
PDBbind
5-mer
3c88
RCSB PDB
PDBbind
5-mer
3c89
RCSB PDB
PDBbind
5-mer
3c8a
RCSB PDB
PDBbind
5-mer
3c8b
RCSB PDB
PDBbind
5-mer
3chf
RCSB PDB
PDBbind
5-mer
3e7a
RCSB PDB
PDBbind
5-mer
3gjq
RCSB PDB
PDBbind
5-mer
3gjs
RCSB PDB
PDBbind
5-mer
3gjt
RCSB PDB
PDBbind
5-mer
3ibc
RCSB PDB
PDBbind
5-mer
3iqg
RCSB PDB
PDBbind
5-mer
3iqh
RCSB PDB
PDBbind
5-mer
3iqi
RCSB PDB
PDBbind
5-mer
3jzh
RCSB PDB
PDBbind
5-mer
3k05
RCSB PDB
PDBbind
5-mer
3k0h
RCSB PDB
PDBbind
5-mer
3k15
RCSB PDB
PDBbind
5-mer
3lpr
RCSB PDB
PDBbind
5-mer
3mp1
RCSB PDB
PDBbind
5-mer
3nin
RCSB PDB
PDBbind
5-mer
3nzw
RCSB PDB
PDBbind
5-mer
3nzx
RCSB PDB
PDBbind
5-mer
3ov1
RCSB PDB
PDBbind
5-mer
3ove
RCSB PDB
PDBbind
5-mer
3oyp
RCSB PDB
PDBbind
5-mer
3qw5
RCSB PDB
PDBbind
5-mer
3qw6
RCSB PDB
PDBbind
5-mer
3qw7
RCSB PDB
PDBbind
5-mer
3qw8
RCSB PDB
PDBbind
5-mer
3r7b
RCSB PDB
PDBbind
5-mer
3r7n
RCSB PDB
PDBbind
5-mer
3s8n
RCSB PDB
PDBbind
5-mer
3s8o
RCSB PDB
PDBbind
5-mer
3sxu
RCSB PDB
PDBbind
5-mer
3t6b
RCSB PDB
PDBbind
5-mer
3t6j
RCSB PDB
PDBbind
5-mer
3th0
RCSB PDB
PDBbind
5-mer
3u1i
RCSB PDB
PDBbind
5-mer
3u4w
RCSB PDB
PDBbind
5-mer
3vb4
RCSB PDB
PDBbind
5-mer
3vb5
RCSB PDB
PDBbind
5-mer
3vb7
RCSB PDB
PDBbind
5-mer
3wqv
RCSB PDB
PDBbind
5-mer
4czs
RCSB PDB
PDBbind
5-mer
4d8i
RCSB PDB
PDBbind
5-mer
4dkt
RCSB PDB
PDBbind
5-mer
4est
RCSB PDB
PDBbind
5-mer
4gm3
RCSB PDB
PDBbind
5-mer
4gm8
RCSB PDB
PDBbind
5-mer
4i9c
RCSB PDB
PDBbind
5-mer
4j78
RCSB PDB
PDBbind
5-mer
4j81
RCSB PDB
PDBbind
5-mer
4j82
RCSB PDB
PDBbind
5-mer
4j84
RCSB PDB
PDBbind
5-mer
4k3m
RCSB PDB
PDBbind
5-mer
4kvm
RCSB PDB
PDBbind
5-mer
4l6t
RCSB PDB
PDBbind
5-mer
4lte
RCSB PDB
PDBbind
5-mer
4omc
RCSB PDB
PDBbind
5-mer
4omd
RCSB PDB
PDBbind
5-mer
4pry
RCSB PDB
PDBbind
5-mer
4ps0
RCSB PDB
PDBbind
5-mer
4ps1
RCSB PDB
PDBbind
5-mer
4q6f
RCSB PDB
PDBbind
5-mer
4rcp
RCSB PDB
PDBbind
5-mer
4rsp
RCSB PDB
PDBbind
5-mer
4ryd
RCSB PDB
PDBbind
5-mer
4sga
RCSB PDB
PDBbind
5-mer
4whh
RCSB PDB
PDBbind
5-mer
4whl
RCSB PDB
PDBbind
5-mer
4wvs
RCSB PDB
PDBbind
5-mer
4wvu
RCSB PDB
PDBbind
5-mer
4x13
RCSB PDB
PDBbind
5-mer
4x9w
RCSB PDB
PDBbind
5-mer
4yec
RCSB PDB
PDBbind
5-mer
4yv8
RCSB PDB
PDBbind
5-mer
4z5w
RCSB PDB
PDBbind
5-mer
4z7q
RCSB PDB
PDBbind
5-mer
4zro
RCSB PDB
PDBbind
5-mer
5axi
RCSB PDB
PDBbind
5-mer
5bmm
RCSB PDB
PDBbind
5-mer
5btr
RCSB PDB
PDBbind
5-mer
5e3a
RCSB PDB
PDBbind
5-mer
5e8f
RCSB PDB
PDBbind
5-mer
5eld
RCSB PDB
PDBbind
5-mer
5ele
RCSB PDB
PDBbind
5-mer
5elf
RCSB PDB
PDBbind
5-mer
5f5b
RCSB PDB
PDBbind
5-mer
5h7h
RCSB PDB
PDBbind
5-mer
5icv
RCSB PDB
PDBbind
5-mer
5jr6
RCSB PDB
PDBbind
5-mer
5lpr
RCSB PDB
PDBbind
5-mer
5n99
RCSB PDB
PDBbind
5-mer
5nwi
RCSB PDB
PDBbind
5-mer
5nwk
RCSB PDB
PDBbind
5-mer
5ttw
RCSB PDB
PDBbind
5-mer
5x54
RCSB PDB
PDBbind
5-mer
5yc1
RCSB PDB
PDBbind
5-mer
5zob
RCSB PDB
PDBbind
5-mer
6ax4
RCSB PDB
PDBbind
5-mer
6b5q
RCSB PDB
PDBbind
5-mer
6eqv
RCSB PDB
PDBbind
5-mer
6eqw
RCSB PDB
PDBbind
5-mer
6lpr
RCSB PDB
PDBbind
5-mer
6mub
RCSB PDB
PDBbind
5-mer
7lpr
RCSB PDB
PDBbind
5-mer
8lpr
RCSB PDB
PDBbind
5-mer
9lpr
RCSB PDB
PDBbind
5-mer
6hzb
RCSB PDB
PDBbind
5-mer
6hza
RCSB PDB
PDBbind
5-mer
6hv2
RCSB PDB
PDBbind
5-mer
6dn6
RCSB PDB
PDBbind
5-mer
Entry Information
PDB ID
3s8l
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Growth factor receptor-bound protein 2, Grb2-SH2
Ligand Name
5-mer
EC.Number
E.C.-.-.-.-
Resolution
1.71(Å)
Affinity (Kd/Ki/IC50)
Kd=2.3uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) J.Am.Chem.Soc. Vol. 133: pp. 18518-18521
Ligand Properties
Formula
C
2
0
H
2
9
N
5
O
9
P
Molecular Weight
514.446
Exact Mass
514.170
No. of atoms
64
No. of bonds
65
Polar Surface Area
256.99
LOGP Value
-3.07 (
Computed with XLOGP3
)
0.22 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 2
Canonical SMILES
CC(=O)N[C@H](C(=O)NC1(CCC1)C(=O)N[C@H](C(=O)N)CC(=O)N)Cc1ccc(cc1)OP(O)(O)O
InChI String
InChI=1S/C20H30N5O9P/c1-11(26)23-15(9-12-3-5-13(6-4-12)34-35(31,32)33)18(29)25-20(7-2-8-20)19(30)24-14(17(22)28)10-16(21)27/h3-6,14-15,31-33,35H,2,7-10H2,1H3,(H2,21,27)(H2,22,28)(H,23,26)(H,24,30)(H,25,29)/t14-,15-/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):
P62993
Entrez Gene ID
NCBI Entrez Gene ID:
2885
ASD
Information of known allosteric effects of PDB entries
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