Browse entries in the PDBbind-CN Database
HEADER 2PL9_COMPLEX COMPND 2PL9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 128 ALA ASP LYS GLU LEU LYS PHE LEU VAL VAL ASP ASP PHE SEQRES 2 A 128 SER THR MET ARG ARG ILE VAL ARG ASN LEU LEU LYS GLU SEQRES 3 A 128 LEU GLY PHE ASN ASN VAL GLU GLU ALA GLU ASP GLY VAL SEQRES 4 A 128 ASP ALA LEU ASN LYS LEU GLN ALA GLY GLY PHE GLY PHE SEQRES 5 A 128 ILE ILE SER ASP TRP ASN MET PRO ASN MET ASP GLY LEU SEQRES 6 A 128 GLU LEU LEU LYS THR ILE ARG ALA ASP SER ALA MET SER SEQRES 7 A 128 ALA LEU PRO VAL LEU MET VAL THR ALA GLU ALA LYS LYS SEQRES 8 A 128 GLU ASN ILE ILE ALA ALA ALA GLN ALA GLY ALA SER GLY SEQRES 9 A 128 TYR VAL VAL LYS PRO PHE THR ALA ALA THR LEU GLU GLU SEQRES 10 A 128 LYS LEU ASN LYS ILE PHE GLU LYS LEU GLY MET HET MG A 1 1 HET ALA A 149 266 ATOM 1 N ALA A 2 6.125 35.187 -4.322 1.00 21.31 N ATOM 2 CA ALA A 2 6.282 36.525 -3.669 1.00 21.48 C ATOM 3 C ALA A 2 6.577 36.402 -2.172 1.00 21.33 C ATOM 4 O ALA A 2 6.481 35.322 -1.599 1.00 21.26 O ATOM 5 CB ALA A 2 5.030 37.382 -3.898 1.00 21.22 C ATOM 6 HA ALA A 2 7.139 37.014 -4.131 1.00 0.00 H ATOM 7 HB1 ALA A 2 4.879 37.524 -4.968 1.00 0.00 H ATOM 8 HB2 ALA A 2 4.163 36.878 -3.471 1.00 0.00 H ATOM 9 HB3 ALA A 2 5.162 38.351 -3.417 1.00 0.00 H ATOM 10 HN3 ALA A 2 5.337 34.675 -3.876 1.00 0.00 H ATOM 11 HN2 ALA A 2 7.003 34.641 -4.207 1.00 0.00 H ATOM 12 HN1 ALA A 2 5.926 35.318 -5.334 1.00 0.00 H ATOM 13 N ASP A 3 6.936 37.531 -1.564 1.00 21.60 N ATOM 14 CA ASP A 3 7.147 37.659 -0.117 1.00 21.43 C ATOM 15 C ASP A 3 5.912 37.195 0.659 1.00 21.19 C ATOM 16 O ASP A 3 4.862 37.837 0.602 1.00 20.73 O ATOM 17 CB ASP A 3 7.458 39.126 0.205 1.00 21.78 C ATOM 18 CG ASP A 3 7.730 39.374 1.682 1.00 23.27 C ATOM 19 OD1 ASP A 3 7.863 38.398 2.456 1.00 23.80 O ATOM 20 OD2 ASP A 3 7.829 40.569 2.066 1.00 25.98 O ATOM 21 HA ASP A 3 7.982 37.027 0.183 1.00 0.00 H ATOM 22 HB2 ASP A 3 8.338 39.426 -0.364 1.00 0.00 H ATOM 23 HB3 ASP A 3 6.606 39.735 -0.097 1.00 0.00 H ATOM 24 H ASP A 3 7.076 38.377 -2.153 1.00 0.00 H ATOM 25 N LYS A 4 6.049 36.071 1.376 1.00 20.97 N ATOM 26 CA LYS A 4 4.936 35.484 2.143 1.00 20.95 C ATOM 27 C LYS A 4 4.444 36.419 3.244 1.00 20.66 C ATOM 28 O LYS A 4 3.501 36.101 3.964 1.00 20.87 O ATOM 29 CB LYS A 4 5.321 34.117 2.730 1.00 20.80 C ATOM 30 CG LYS A 4 6.608 34.117 3.563 1.00 22.38 C ATOM 31 CD LYS A 4 7.855 33.925 2.677 1.00 22.70 C ATOM 32 CE LYS A 4 8.918 34.955 3.083 1.00 22.04 C ATOM 33 NZ LYS A 4 10.207 34.533 2.412 1.00 23.05 N ATOM 34 HA LYS A 4 4.114 35.338 1.442 1.00 0.00 H ATOM 35 HB2 LYS A 4 4.504 33.778 3.367 1.00 0.00 H ATOM 36 HB3 LYS A 4 5.450 33.417 1.905 1.00 0.00 H ATOM 37 HG2 LYS A 4 6.690 35.068 4.089 1.00 0.00 H ATOM 38 HG3 LYS A 4 6.560 33.305 4.289 1.00 0.00 H ATOM 39 HD2 LYS A 4 8.250 32.918 2.814 1.00 0.00 H ATOM 40 HD3 LYS A 4 7.586 34.069 1.631 1.00 0.00 H ATOM 41 HE2 LYS A 4 9.042 34.961 4.166 1.00 0.00 H ATOM 42 HE3 LYS A 4 8.626 35.950 2.746 1.00 0.00 H ATOM 43 HZ1 LYS A 4 10.470 33.581 2.737 1.00 0.00 H ATOM 44 HZ2 LYS A 4 10.073 34.524 1.381 1.00 0.00 H ATOM 45 HZ3 LYS A 4 10.961 35.205 2.659 1.00 0.00 H ATOM 46 H LYS A 4 6.974 35.596 1.392 1.00 0.00 H ATOM 47 N GLU A 5 5.086 37.579 3.343 1.00 20.49 N ATOM 48 CA GLU A 5 4.683 38.636 4.256 1.00 20.71 C ATOM 49 C GLU A 5 4.068 39.846 3.509 1.00 20.32 C ATOM 50 O GLU A 5 3.864 40.908 4.090 1.00 20.52 O ATOM 51 CB GLU A 5 5.879 39.066 5.133 1.00 20.84 C ATOM 52 CG GLU A 5 6.253 38.033 6.205 1.00 22.64 C ATOM 53 CD GLU A 5 7.595 38.306 6.862 1.00 25.66 C ATOM 54 OE1 GLU A 5 8.280 39.273 6.462 1.00 28.01 O ATOM 55 OE2 GLU A 5 7.977 37.543 7.782 1.00 27.71 O ATOM 56 HA GLU A 5 3.901 38.239 4.904 1.00 0.00 H ATOM 57 HB2 GLU A 5 6.743 39.222 4.487 1.00 0.00 H ATOM 58 HB3 GLU A 5 5.625 40.002 5.629 1.00 0.00 H ATOM 59 HG2 GLU A 5 5.483 38.040 6.976 1.00 0.00 H ATOM 60 HG3 GLU A 5 6.290 37.048 5.739 1.00 0.00 H ATOM 61 H GLU A 5 5.917 37.738 2.738 1.00 0.00 H ATOM 62 N LEU A 6 3.774 39.670 2.226 1.00 20.00 N ATOM 63 CA LEU A 6 3.033 40.671 1.457 1.00 19.88 C ATOM 64 C LEU A 6 1.683 40.940 2.122 1.00 20.41 C ATOM 65 O LEU A 6 0.946 39.999 2.479 1.00 20.21 O ATOM 66 CB LEU A 6 2.827 40.196 0.015 1.00 19.39 C ATOM 67 CG LEU A 6 2.254 41.142 -1.046 1.00 19.10 C ATOM 68 CD1 LEU A 6 3.193 42.291 -1.361 1.00 17.55 C ATOM 69 CD2 LEU A 6 1.940 40.360 -2.309 1.00 18.03 C ATOM 70 HA LEU A 6 3.611 41.595 1.435 1.00 0.00 H ATOM 71 HB2 LEU A 6 3.802 39.873 -0.349 1.00 0.00 H ATOM 72 HB3 LEU A 6 2.156 39.338 0.062 1.00 0.00 H ATOM 73 HG LEU A 6 1.340 41.578 -0.642 1.00 0.00 H ATOM 74 HD21 LEU A 6 2.853 39.901 -2.687 1.00 0.00 H ATOM 75 HD22 LEU A 6 1.209 39.584 -2.082 1.00 0.00 H ATOM 76 HD23 LEU A 6 1.533 41.036 -3.061 1.00 0.00 H ATOM 77 HD11 LEU A 6 3.374 42.869 -0.455 1.00 0.00 H ATOM 78 HD12 LEU A 6 4.137 41.895 -1.736 1.00 0.00 H ATOM 79 HD13 LEU A 6 2.740 42.931 -2.118 1.00 0.00 H ATOM 80 H LEU A 6 4.079 38.795 1.754 1.00 0.00 H ATOM 81 N LYS A 7 1.371 42.223 2.296 1.00 20.57 N ATOM 82 CA LYS A 7 0.150 42.628 2.970 1.00 20.54 C ATOM 83 C LYS A 7 -0.999 42.799 1.969 1.00 20.59 C ATOM 84 O LYS A 7 -0.964 43.688 1.101 1.00 20.52 O ATOM 85 CB LYS A 7 0.385 43.922 3.749 1.00 20.65 C ATOM 86 CG LYS A 7 -0.177 43.917 5.153 1.00 20.89 C ATOM 87 CD LYS A 7 -1.001 45.158 5.393 1.00 22.64 C ATOM 88 CE LYS A 7 -0.693 45.773 6.758 1.00 22.93 C ATOM 89 NZ LYS A 7 -0.778 47.260 6.737 1.00 24.22 N ATOM 90 HA LYS A 7 -0.133 41.843 3.672 1.00 0.00 H ATOM 91 HB2 LYS A 7 1.460 44.092 3.812 1.00 0.00 H ATOM 92 HB3 LYS A 7 -0.079 44.741 3.199 1.00 0.00 H ATOM 93 HG2 LYS A 7 -0.806 43.037 5.286 1.00 0.00 H ATOM 94 HG3 LYS A 7 0.644 43.887 5.869 1.00 0.00 H ATOM 95 HD2 LYS A 7 -0.778 45.889 4.615 1.00 0.00 H ATOM 96 HD3 LYS A 7 -2.058 44.896 5.351 1.00 0.00 H ATOM 97 HE2 LYS A 7 0.315 45.483 7.055 1.00 0.00 H ATOM 98 HE3 LYS A 7 -1.409 45.390 7.485 1.00 0.00 H ATOM 99 HZ1 LYS A 7 -0.093 47.636 6.051 1.00 0.00 H ATOM 100 HZ2 LYS A 7 -1.739 47.547 6.462 1.00 0.00 H ATOM 101 HZ3 LYS A 7 -0.561 47.632 7.684 1.00 0.00 H ATOM 102 H LYS A 7 2.019 42.954 1.940 1.00 0.00 H ATOM 103 N PHE A 8 -2.010 41.935 2.128 1.00 20.46 N ATOM 104 CA PHE A 8 -3.178 42.010 1.298 1.00 20.13 C ATOM 105 C PHE A 8 -4.342 42.761 1.931 1.00 20.28 C ATOM 106 O PHE A 8 -4.545 42.709 3.131 1.00 21.06 O ATOM 107 CB PHE A 8 -3.713 40.608 0.976 1.00 19.97 C ATOM 108 CG PHE A 8 -2.906 39.818 -0.002 1.00 21.20 C ATOM 109 CD1 PHE A 8 -1.702 39.200 0.365 1.00 20.81 C ATOM 110 CD2 PHE A 8 -3.354 39.698 -1.324 1.00 20.06 C ATOM 111 CE1 PHE A 8 -0.959 38.498 -0.563 1.00 20.30 C ATOM 112 CE2 PHE A 8 -2.620 38.989 -2.252 1.00 20.61 C ATOM 113 CZ PHE A 8 -1.413 38.395 -1.879 1.00 20.51 C ATOM 114 HA PHE A 8 -2.840 42.545 0.410 1.00 0.00 H ATOM 115 HB2 PHE A 8 -3.758 40.044 1.908 1.00 0.00 H ATOM 116 HB3 PHE A 8 -4.719 40.718 0.570 1.00 0.00 H ATOM 117 HD2 PHE A 8 -4.291 40.169 -1.622 1.00 0.00 H ATOM 118 HE2 PHE A 8 -2.982 38.893 -3.276 1.00 0.00 H ATOM 119 HZ PHE A 8 -0.824 37.850 -2.617 1.00 0.00 H ATOM 120 HE1 PHE A 8 -0.021 38.026 -0.269 1.00 0.00 H ATOM 121 HD1 PHE A 8 -1.349 39.275 1.394 1.00 0.00 H ATOM 122 H PHE A 8 -1.948 41.201 2.862 1.00 0.00 H ATOM 123 N LEU A 9 -5.104 43.450 1.115 1.00 20.63 N ATOM 124 CA LEU A 9 -6.345 44.057 1.563 1.00 20.81 C ATOM 125 C LEU A 9 -7.426 43.334 0.769 1.00 21.00 C ATOM 126 O LEU A 9 -7.442 43.368 -0.470 1.00 21.42 O ATOM 127 CB LEU A 9 -6.437 45.581 1.338 1.00 20.56 C ATOM 128 CG LEU A 9 -7.677 46.291 1.877 1.00 20.13 C ATOM 129 CD1 LEU A 9 -7.785 46.163 3.397 1.00 19.06 C ATOM 130 CD2 LEU A 9 -7.673 47.756 1.455 1.00 19.16 C ATOM 131 HA LEU A 9 -6.440 43.952 2.644 1.00 0.00 H ATOM 132 HB2 LEU A 9 -5.567 46.036 1.811 1.00 0.00 H ATOM 133 HB3 LEU A 9 -6.399 45.757 0.263 1.00 0.00 H ATOM 134 HG LEU A 9 -8.553 45.805 1.448 1.00 0.00 H ATOM 135 HD21 LEU A 9 -6.782 48.244 1.851 1.00 0.00 H ATOM 136 HD22 LEU A 9 -7.671 47.819 0.367 1.00 0.00 H ATOM 137 HD23 LEU A 9 -8.563 48.248 1.847 1.00 0.00 H ATOM 138 HD11 LEU A 9 -7.847 45.109 3.668 1.00 0.00 H ATOM 139 HD12 LEU A 9 -6.905 46.608 3.861 1.00 0.00 H ATOM 140 HD13 LEU A 9 -8.680 46.681 3.741 1.00 0.00 H ATOM 141 H LEU A 9 -4.812 43.564 0.123 1.00 0.00 H ATOM 142 N VAL A 10 -8.338 42.682 1.479 1.00 20.96 N ATOM 143 CA VAL A 10 -9.475 42.013 0.845 1.00 20.64 C ATOM 144 C VAL A 10 -10.739 42.845 1.074 1.00 20.92 C ATOM 145 O VAL A 10 -11.170 43.049 2.217 1.00 20.46 O ATOM 146 CB VAL A 10 -9.674 40.563 1.364 1.00 20.55 C ATOM 147 CG1 VAL A 10 -10.931 39.924 0.727 1.00 19.97 C ATOM 148 CG2 VAL A 10 -8.420 39.708 1.106 1.00 19.74 C ATOM 149 HA VAL A 10 -9.269 41.935 -0.222 1.00 0.00 H ATOM 150 HB VAL A 10 -9.828 40.604 2.442 1.00 0.00 H ATOM 151 HG11 VAL A 10 -11.809 40.516 0.986 1.00 0.00 H ATOM 152 HG12 VAL A 10 -10.815 39.899 -0.357 1.00 0.00 H ATOM 153 HG13 VAL A 10 -11.052 38.909 1.104 1.00 0.00 H ATOM 154 HG21 VAL A 10 -8.220 39.672 0.035 1.00 0.00 H ATOM 155 HG22 VAL A 10 -7.568 40.151 1.621 1.00 0.00 H ATOM 156 HG23 VAL A 10 -8.587 38.698 1.479 1.00 0.00 H ATOM 157 H VAL A 10 -8.242 42.645 2.514 1.00 0.00 H ATOM 158 N VAL A 11 -11.315 43.327 -0.025 1.00 21.29 N ATOM 159 CA VAL A 11 -12.461 44.213 0.027 1.00 21.79 C ATOM 160 C VAL A 11 -13.686 43.544 -0.572 1.00 22.17 C ATOM 161 O VAL A 11 -13.708 43.202 -1.763 1.00 22.77 O ATOM 162 CB VAL A 11 -12.188 45.553 -0.711 1.00 22.54 C ATOM 163 CG1 VAL A 11 -13.330 46.563 -0.448 1.00 21.83 C ATOM 164 CG2 VAL A 11 -10.810 46.152 -0.282 1.00 21.76 C ATOM 165 HA VAL A 11 -12.647 44.433 1.078 1.00 0.00 H ATOM 166 HB VAL A 11 -12.151 45.351 -1.781 1.00 0.00 H ATOM 167 HG11 VAL A 11 -14.271 46.147 -0.807 1.00 0.00 H ATOM 168 HG12 VAL A 11 -13.402 46.757 0.622 1.00 0.00 H ATOM 169 HG13 VAL A 11 -13.118 47.494 -0.974 1.00 0.00 H ATOM 170 HG21 VAL A 11 -10.814 46.336 0.792 1.00 0.00 H ATOM 171 HG22 VAL A 11 -10.016 45.447 -0.528 1.00 0.00 H ATOM 172 HG23 VAL A 11 -10.642 47.089 -0.812 1.00 0.00 H ATOM 173 H VAL A 11 -10.930 43.059 -0.953 1.00 0.00 H ATOM 174 N ASP A 12 -14.697 43.343 0.266 1.00 21.98 N ATOM 175 CA ASP A 12 -15.965 42.778 -0.163 1.00 22.20 C ATOM 176 C ASP A 12 -16.988 43.117 0.897 1.00 22.35 C ATOM 177 O ASP A 12 -16.654 43.160 2.087 1.00 22.73 O ATOM 178 CB ASP A 12 -15.846 41.252 -0.320 1.00 22.14 C ATOM 179 CG ASP A 12 -16.887 40.669 -1.287 1.00 21.68 C ATOM 180 OD1 ASP A 12 -18.090 40.625 -0.933 1.00 19.82 O ATOM 181 OD2 ASP A 12 -16.485 40.230 -2.389 1.00 21.04 O ATOM 182 HA ASP A 12 -16.260 43.187 -1.129 1.00 0.00 H ATOM 183 HB2 ASP A 12 -14.851 41.017 -0.697 1.00 0.00 H ATOM 184 HB3 ASP A 12 -15.981 40.790 0.658 1.00 0.00 H ATOM 185 H ASP A 12 -14.576 43.600 1.267 1.00 0.00 H ATOM 186 N ASP A 13 -18.233 43.369 0.483 1.00 22.31 N ATOM 187 CA ASP A 13 -19.315 43.664 1.458 1.00 21.66 C ATOM 188 C ASP A 13 -19.821 42.417 2.146 1.00 21.22 C ATOM 189 O ASP A 13 -20.509 42.497 3.141 1.00 21.27 O ATOM 190 CB ASP A 13 -20.481 44.399 0.798 1.00 21.75 C ATOM 191 CG ASP A 13 -21.018 43.679 -0.427 1.00 21.51 C ATOM 192 OD1 ASP A 13 -20.227 43.361 -1.338 1.00 20.82 O ATOM 193 OD2 ASP A 13 -22.247 43.481 -0.502 1.00 23.07 O ATOM 194 HA ASP A 13 -18.873 44.313 2.214 1.00 0.00 H ATOM 195 HB2 ASP A 13 -21.287 44.497 1.525 1.00 0.00 H ATOM 196 HB3 ASP A 13 -20.142 45.391 0.498 1.00 0.00 H ATOM 197 H ASP A 13 -18.448 43.359 -0.535 1.00 0.00 H ATOM 198 N PHE A 14 -19.447 41.265 1.607 1.00 20.98 N ATOM 199 CA PHE A 14 -19.976 39.983 2.039 1.00 20.85 C ATOM 200 C PHE A 14 -18.944 39.230 2.899 1.00 20.85 C ATOM 201 O PHE A 14 -17.898 38.811 2.417 1.00 20.78 O ATOM 202 CB PHE A 14 -20.398 39.172 0.807 1.00 20.48 C ATOM 203 CG PHE A 14 -21.162 37.930 1.121 1.00 20.49 C ATOM 204 CD1 PHE A 14 -22.161 37.927 2.095 1.00 19.30 C ATOM 205 CD2 PHE A 14 -20.911 36.744 0.408 1.00 19.49 C ATOM 206 CE1 PHE A 14 -22.878 36.763 2.372 1.00 18.16 C ATOM 207 CE2 PHE A 14 -21.628 35.593 0.677 1.00 18.41 C ATOM 208 CZ PHE A 14 -22.616 35.603 1.664 1.00 18.11 C ATOM 209 HA PHE A 14 -20.854 40.139 2.666 1.00 0.00 H ATOM 210 HB2 PHE A 14 -21.022 39.807 0.178 1.00 0.00 H ATOM 211 HB3 PHE A 14 -19.499 38.890 0.259 1.00 0.00 H ATOM 212 HD2 PHE A 14 -20.143 36.732 -0.365 1.00 0.00 H ATOM 213 HE2 PHE A 14 -21.423 34.679 0.120 1.00 0.00 H ATOM 214 HZ PHE A 14 -23.182 34.696 1.877 1.00 0.00 H ATOM 215 HE1 PHE A 14 -23.645 36.767 3.146 1.00 0.00 H ATOM 216 HD1 PHE A 14 -22.383 38.842 2.644 1.00 0.00 H ATOM 217 H PHE A 14 -18.744 41.280 0.841 1.00 0.00 H ATOM 218 N SER A 15 -19.252 39.112 4.187 1.00 21.13 N ATOM 219 CA SER A 15 -18.394 38.474 5.168 1.00 21.39 C ATOM 220 C SER A 15 -17.925 37.096 4.719 1.00 21.18 C ATOM 221 O SER A 15 -16.740 36.768 4.825 1.00 21.03 O ATOM 222 CB SER A 15 -19.136 38.364 6.530 1.00 21.70 C ATOM 223 OG SER A 15 -20.274 37.477 6.442 1.00 23.51 O ATOM 224 HA SER A 15 -17.507 39.098 5.279 1.00 0.00 H ATOM 225 HB2 SER A 15 -19.480 39.354 6.827 1.00 0.00 H ATOM 226 HB3 SER A 15 -18.445 37.981 7.281 1.00 0.00 H ATOM 227 HG SER A 15 -20.723 37.429 7.323 1.00 0.00 H ATOM 228 H SER A 15 -20.161 39.500 4.510 1.00 0.00 H ATOM 229 N THR A 16 -18.860 36.290 4.226 1.00 21.28 N ATOM 230 CA THR A 16 -18.551 34.912 3.832 1.00 22.07 C ATOM 231 C THR A 16 -17.492 34.840 2.738 1.00 22.03 C ATOM 232 O THR A 16 -16.580 34.022 2.814 1.00 22.56 O ATOM 233 CB THR A 16 -19.808 34.155 3.423 1.00 22.16 C ATOM 234 OG1 THR A 16 -20.674 34.053 4.561 1.00 22.31 O ATOM 235 CG2 THR A 16 -19.464 32.752 2.924 1.00 22.35 C ATOM 236 HA THR A 16 -18.132 34.426 4.713 1.00 0.00 H ATOM 237 HB THR A 16 -20.299 34.696 2.614 1.00 0.00 H ATOM 238 HG1 THR A 16 -21.495 33.562 4.306 1.00 0.00 H ATOM 239 HG23 THR A 16 -18.806 32.827 2.059 1.00 0.00 H ATOM 240 HG21 THR A 16 -18.962 32.199 3.717 1.00 0.00 H ATOM 241 HG22 THR A 16 -20.380 32.234 2.641 1.00 0.00 H ATOM 242 H THR A 16 -19.832 36.645 4.117 1.00 0.00 H ATOM 243 N MET A 17 -17.596 35.734 1.755 1.00 21.96 N ATOM 244 CA MET A 17 -16.653 35.788 0.644 1.00 21.55 C ATOM 245 C MET A 17 -15.254 36.222 1.110 1.00 21.56 C ATOM 246 O MET A 17 -14.236 35.713 0.612 1.00 21.18 O ATOM 247 CB MET A 17 -17.182 36.730 -0.447 1.00 21.78 C ATOM 248 CG MET A 17 -16.301 36.854 -1.697 1.00 22.38 C ATOM 249 SD MET A 17 -15.742 35.269 -2.354 1.00 23.89 S ATOM 250 CE MET A 17 -17.291 34.583 -2.963 1.00 21.98 C ATOM 251 HA MET A 17 -16.558 34.784 0.230 1.00 0.00 H ATOM 252 HB2 MET A 17 -18.160 36.366 -0.760 1.00 0.00 H ATOM 253 HB3 MET A 17 -17.288 37.723 -0.011 1.00 0.00 H ATOM 254 HG2 MET A 17 -15.424 37.449 -1.442 1.00 0.00 H ATOM 255 HG3 MET A 17 -16.873 37.365 -2.472 1.00 0.00 H ATOM 256 HE1 MET A 17 -17.995 34.488 -2.136 1.00 0.00 H ATOM 257 HE2 MET A 17 -17.707 35.246 -3.721 1.00 0.00 H ATOM 258 HE3 MET A 17 -17.106 33.601 -3.399 1.00 0.00 H ATOM 259 H MET A 17 -18.379 36.418 1.781 1.00 0.00 H ATOM 260 N ARG A 18 -15.210 37.162 2.059 1.00 21.28 N ATOM 261 CA ARG A 18 -13.937 37.631 2.619 1.00 21.17 C ATOM 262 C ARG A 18 -13.225 36.471 3.315 1.00 21.11 C ATOM 263 O ARG A 18 -12.045 36.273 3.120 1.00 21.43 O ATOM 264 CB ARG A 18 -14.134 38.825 3.588 1.00 21.03 C ATOM 265 CG ARG A 18 -14.528 40.161 2.923 1.00 20.41 C ATOM 266 CD ARG A 18 -14.291 41.415 3.844 1.00 19.22 C ATOM 267 NE ARG A 18 -14.886 41.277 5.178 1.00 18.58 N ATOM 268 CZ ARG A 18 -16.142 41.615 5.486 1.00 20.36 C ATOM 269 NH1 ARG A 18 -16.955 42.137 4.556 1.00 19.68 N ATOM 270 NH2 ARG A 18 -16.598 41.426 6.723 1.00 18.46 N ATOM 271 HA ARG A 18 -13.317 37.993 1.799 1.00 0.00 H ATOM 272 HB2 ARG A 18 -14.918 38.558 4.296 1.00 0.00 H ATOM 273 HB3 ARG A 18 -13.198 38.980 4.125 1.00 0.00 H ATOM 274 HG2 ARG A 18 -13.937 40.283 2.015 1.00 0.00 H ATOM 275 HG3 ARG A 18 -15.586 40.119 2.663 1.00 0.00 H ATOM 276 HD2 ARG A 18 -14.727 42.288 3.359 1.00 0.00 H ATOM 277 HD3 ARG A 18 -13.217 41.563 3.958 1.00 0.00 H ATOM 278 HE ARG A 18 -14.289 40.889 5.936 1.00 0.00 H ATOM 279 HH12 ARG A 18 -17.931 42.397 4.805 1.00 0.00 H ATOM 280 HH11 ARG A 18 -16.610 42.282 3.586 1.00 0.00 H ATOM 281 HH22 ARG A 18 -17.575 41.689 6.963 1.00 0.00 H ATOM 282 HH21 ARG A 18 -15.977 41.015 7.449 1.00 0.00 H ATOM 283 H ARG A 18 -16.100 37.571 2.409 1.00 0.00 H ATOM 284 N ARG A 19 -13.965 35.696 4.103 1.00 21.21 N ATOM 285 CA ARG A 19 -13.456 34.429 4.647 1.00 21.44 C ATOM 286 C ARG A 19 -12.858 33.516 3.571 1.00 21.21 C ATOM 287 O ARG A 19 -11.717 33.053 3.712 1.00 21.03 O ATOM 288 CB ARG A 19 -14.543 33.686 5.424 1.00 21.41 C ATOM 289 CG ARG A 19 -14.803 34.258 6.803 1.00 22.31 C ATOM 290 CD ARG A 19 -15.775 33.400 7.594 1.00 22.52 C ATOM 291 NE ARG A 19 -15.096 32.301 8.265 1.00 22.55 N ATOM 292 CZ ARG A 19 -14.864 32.250 9.573 1.00 24.49 C ATOM 293 NH1 ARG A 19 -15.273 33.231 10.369 1.00 23.59 N ATOM 294 NH2 ARG A 19 -14.240 31.194 10.093 1.00 26.22 N ATOM 295 HA ARG A 19 -12.649 34.695 5.329 1.00 0.00 H ATOM 296 HB2 ARG A 19 -15.469 33.733 4.851 1.00 0.00 H ATOM 297 HB3 ARG A 19 -14.238 32.645 5.534 1.00 0.00 H ATOM 298 HG2 ARG A 19 -13.859 34.315 7.346 1.00 0.00 H ATOM 299 HG3 ARG A 19 -15.221 35.259 6.697 1.00 0.00 H ATOM 300 HD2 ARG A 19 -16.522 32.992 6.913 1.00 0.00 H ATOM 301 HD3 ARG A 19 -16.268 34.021 8.342 1.00 0.00 H ATOM 302 HE ARG A 19 -14.771 31.503 7.683 1.00 0.00 H ATOM 303 HH12 ARG A 19 -15.087 33.183 11.391 1.00 0.00 H ATOM 304 HH11 ARG A 19 -15.779 34.047 9.970 1.00 0.00 H ATOM 305 HH22 ARG A 19 -14.056 31.150 11.116 1.00 0.00 H ATOM 306 HH21 ARG A 19 -13.936 30.414 9.476 1.00 0.00 H ATOM 307 H ARG A 19 -14.932 35.995 4.341 1.00 0.00 H ATOM 308 N ILE A 20 -13.614 33.272 2.494 1.00 20.82 N ATOM 309 CA ILE A 20 -13.080 32.502 1.347 1.00 20.69 C ATOM 310 C ILE A 20 -11.702 33.027 0.893 1.00 20.55 C ATOM 311 O ILE A 20 -10.724 32.283 0.901 1.00 20.28 O ATOM 312 CB ILE A 20 -14.054 32.476 0.134 1.00 20.80 C ATOM 313 CG1 ILE A 20 -15.461 31.947 0.551 1.00 21.03 C ATOM 314 CG2 ILE A 20 -13.448 31.644 -1.025 1.00 19.92 C ATOM 315 CD1 ILE A 20 -15.499 30.429 0.808 1.00 27.89 C ATOM 316 HA ILE A 20 -12.967 31.480 1.710 1.00 0.00 H ATOM 317 HB ILE A 20 -14.191 33.497 -0.222 1.00 0.00 H ATOM 318 HG12 ILE A 20 -15.765 32.459 1.464 1.00 0.00 H ATOM 319 HG13 ILE A 20 -16.167 32.179 -0.246 1.00 0.00 H ATOM 320 HD11 ILE A 20 -15.208 29.901 -0.100 1.00 0.00 H ATOM 321 HD12 ILE A 20 -14.806 30.180 1.612 1.00 0.00 H ATOM 322 HD13 ILE A 20 -16.509 30.135 1.093 1.00 0.00 H ATOM 323 HG21 ILE A 20 -12.503 32.090 -1.336 1.00 0.00 H ATOM 324 HG22 ILE A 20 -13.274 30.623 -0.685 1.00 0.00 H ATOM 325 HG23 ILE A 20 -14.142 31.636 -1.866 1.00 0.00 H ATOM 326 H ILE A 20 -14.591 33.628 2.462 1.00 0.00 H ATOM 327 N VAL A 21 -11.643 34.308 0.511 1.00 20.70 N ATOM 328 CA VAL A 21 -10.417 34.901 -0.025 1.00 20.84 C ATOM 329 C VAL A 21 -9.257 34.894 0.978 1.00 21.58 C ATOM 330 O VAL A 21 -8.131 34.498 0.628 1.00 21.35 O ATOM 331 CB VAL A 21 -10.650 36.339 -0.583 1.00 20.92 C ATOM 332 CG1 VAL A 21 -9.327 36.965 -1.044 1.00 19.49 C ATOM 333 CG2 VAL A 21 -11.655 36.310 -1.761 1.00 20.93 C ATOM 334 HA VAL A 21 -10.128 34.258 -0.856 1.00 0.00 H ATOM 335 HB VAL A 21 -11.064 36.948 0.221 1.00 0.00 H ATOM 336 HG11 VAL A 21 -8.640 37.022 -0.200 1.00 0.00 H ATOM 337 HG12 VAL A 21 -8.889 36.349 -1.830 1.00 0.00 H ATOM 338 HG13 VAL A 21 -9.515 37.967 -1.429 1.00 0.00 H ATOM 339 HG21 VAL A 21 -11.260 35.681 -2.559 1.00 0.00 H ATOM 340 HG22 VAL A 21 -12.607 35.906 -1.415 1.00 0.00 H ATOM 341 HG23 VAL A 21 -11.803 37.323 -2.135 1.00 0.00 H ATOM 342 H VAL A 21 -12.494 34.900 0.598 1.00 0.00 H ATOM 343 N ARG A 22 -9.539 35.328 2.215 1.00 22.07 N ATOM 344 CA ARG A 22 -8.528 35.393 3.271 1.00 22.95 C ATOM 345 C ARG A 22 -7.959 33.990 3.580 1.00 23.26 C ATOM 346 O ARG A 22 -6.751 33.812 3.763 1.00 23.20 O ATOM 347 CB ARG A 22 -9.120 36.065 4.522 1.00 23.38 C ATOM 348 CG ARG A 22 -8.363 35.804 5.847 1.00 26.32 C ATOM 349 CD ARG A 22 -8.964 36.619 7.030 1.00 27.94 C ATOM 350 NE ARG A 22 -8.933 35.838 8.282 1.00 31.53 N ATOM 351 CZ ARG A 22 -7.941 35.885 9.177 1.00 31.62 C ATOM 352 NH1 ARG A 22 -6.900 36.695 8.978 1.00 33.84 N ATOM 353 NH2 ARG A 22 -7.993 35.139 10.276 1.00 29.83 N ATOM 354 HA ARG A 22 -7.692 36.002 2.927 1.00 0.00 H ATOM 355 HB2 ARG A 22 -9.133 37.141 4.350 1.00 0.00 H ATOM 356 HB3 ARG A 22 -10.142 35.706 4.644 1.00 0.00 H ATOM 357 HG2 ARG A 22 -8.423 34.742 6.084 1.00 0.00 H ATOM 358 HG3 ARG A 22 -7.318 36.088 5.718 1.00 0.00 H ATOM 359 HD2 ARG A 22 -9.997 36.877 6.797 1.00 0.00 H ATOM 360 HD3 ARG A 22 -8.384 37.532 7.165 1.00 0.00 H ATOM 361 HE ARG A 22 -9.737 35.209 8.481 1.00 0.00 H ATOM 362 HH12 ARG A 22 -6.129 36.731 9.675 1.00 0.00 H ATOM 363 HH11 ARG A 22 -6.860 37.290 8.126 1.00 0.00 H ATOM 364 HH22 ARG A 22 -7.219 35.179 10.969 1.00 0.00 H ATOM 365 HH21 ARG A 22 -8.808 34.515 10.443 1.00 0.00 H ATOM 366 H ARG A 22 -10.511 35.629 2.432 1.00 0.00 H ATOM 367 N ASN A 23 -8.825 32.990 3.588 1.00 23.41 N ATOM 368 CA ASN A 23 -8.378 31.636 3.839 1.00 23.23 C ATOM 369 C ASN A 23 -7.507 31.086 2.721 1.00 23.28 C ATOM 370 O ASN A 23 -6.528 30.356 2.981 1.00 23.06 O ATOM 371 CB ASN A 23 -9.554 30.712 4.086 1.00 22.98 C ATOM 372 CG ASN A 23 -9.192 29.582 5.005 1.00 23.02 C ATOM 373 OD1 ASN A 23 -8.860 29.818 6.183 1.00 22.89 O ATOM 374 ND2 ASN A 23 -9.233 28.337 4.478 1.00 23.56 N ATOM 375 HA ASN A 23 -7.762 31.680 4.737 1.00 0.00 H ATOM 376 HB2 ASN A 23 -10.365 31.285 4.534 1.00 0.00 H ATOM 377 HB3 ASN A 23 -9.885 30.300 3.133 1.00 0.00 H ATOM 378 HD22 ASN A 23 -9.518 28.201 3.487 1.00 0.00 H ATOM 379 HD21 ASN A 23 -8.979 27.516 5.064 1.00 0.00 H ATOM 380 H ASN A 23 -9.833 33.178 3.413 1.00 0.00 H ATOM 381 N LEU A 24 -7.868 31.419 1.478 1.00 23.22 N ATOM 382 CA LEU A 24 -7.094 30.981 0.312 1.00 23.19 C ATOM 383 C LEU A 24 -5.696 31.556 0.383 1.00 22.92 C ATOM 384 O LEU A 24 -4.720 30.842 0.174 1.00 22.85 O ATOM 385 CB LEU A 24 -7.791 31.358 -1.009 1.00 22.81 C ATOM 386 CG LEU A 24 -8.992 30.455 -1.355 1.00 24.15 C ATOM 387 CD1 LEU A 24 -9.757 30.891 -2.629 1.00 22.57 C ATOM 388 CD2 LEU A 24 -8.562 28.977 -1.442 1.00 22.35 C ATOM 389 HA LEU A 24 -7.027 29.893 0.330 1.00 0.00 H ATOM 390 HB2 LEU A 24 -8.144 32.386 -0.931 1.00 0.00 H ATOM 391 HB3 LEU A 24 -7.062 31.286 -1.816 1.00 0.00 H ATOM 392 HG LEU A 24 -9.699 30.570 -0.534 1.00 0.00 H ATOM 393 HD21 LEU A 24 -7.804 28.865 -2.217 1.00 0.00 H ATOM 394 HD22 LEU A 24 -8.151 28.662 -0.483 1.00 0.00 H ATOM 395 HD23 LEU A 24 -9.428 28.362 -1.687 1.00 0.00 H ATOM 396 HD11 LEU A 24 -10.141 31.902 -2.493 1.00 0.00 H ATOM 397 HD12 LEU A 24 -9.080 30.870 -3.483 1.00 0.00 H ATOM 398 HD13 LEU A 24 -10.587 30.207 -2.805 1.00 0.00 H ATOM 399 H LEU A 24 -8.717 32.002 1.334 1.00 0.00 H ATOM 400 N LEU A 25 -5.604 32.840 0.733 1.00 23.06 N ATOM 401 CA LEU A 25 -4.318 33.511 0.873 1.00 23.10 C ATOM 402 C LEU A 25 -3.466 32.837 1.953 1.00 23.21 C ATOM 403 O LEU A 25 -2.329 32.441 1.699 1.00 23.16 O ATOM 404 CB LEU A 25 -4.514 35.010 1.145 1.00 23.07 C ATOM 405 CG LEU A 25 -5.154 35.851 0.012 1.00 23.24 C ATOM 406 CD1 LEU A 25 -5.371 37.314 0.445 1.00 21.88 C ATOM 407 CD2 LEU A 25 -4.366 35.792 -1.298 1.00 21.72 C ATOM 408 HA LEU A 25 -3.775 33.421 -0.068 1.00 0.00 H ATOM 409 HB2 LEU A 25 -5.150 35.105 2.025 1.00 0.00 H ATOM 410 HB3 LEU A 25 -3.534 35.437 1.359 1.00 0.00 H ATOM 411 HG LEU A 25 -6.126 35.397 -0.181 1.00 0.00 H ATOM 412 HD21 LEU A 25 -3.358 36.173 -1.132 1.00 0.00 H ATOM 413 HD22 LEU A 25 -4.313 34.759 -1.642 1.00 0.00 H ATOM 414 HD23 LEU A 25 -4.867 36.402 -2.050 1.00 0.00 H ATOM 415 HD11 LEU A 25 -6.033 37.341 1.310 1.00 0.00 H ATOM 416 HD12 LEU A 25 -4.411 37.760 0.706 1.00 0.00 H ATOM 417 HD13 LEU A 25 -5.821 37.872 -0.376 1.00 0.00 H ATOM 418 H LEU A 25 -6.476 33.378 0.911 1.00 0.00 H ATOM 419 N LYS A 26 -4.049 32.660 3.131 1.00 23.53 N ATOM 420 CA LYS A 26 -3.424 31.910 4.222 1.00 23.94 C ATOM 421 C LYS A 26 -2.911 30.532 3.768 1.00 24.11 C ATOM 422 O LYS A 26 -1.790 30.139 4.102 1.00 24.28 O ATOM 423 CB LYS A 26 -4.412 31.761 5.397 1.00 23.95 C ATOM 424 CG LYS A 26 -3.840 31.056 6.609 1.00 25.11 C ATOM 425 CD LYS A 26 -4.928 30.386 7.437 1.00 27.11 C ATOM 426 CE LYS A 26 -4.417 29.066 7.994 1.00 28.93 C ATOM 427 NZ LYS A 26 -5.371 28.462 8.962 1.00 30.08 N ATOM 428 HA LYS A 26 -2.554 32.478 4.552 1.00 0.00 H ATOM 429 HB2 LYS A 26 -4.733 32.757 5.701 1.00 0.00 H ATOM 430 HB3 LYS A 26 -5.275 31.194 5.048 1.00 0.00 H ATOM 431 HG2 LYS A 26 -3.132 30.297 6.275 1.00 0.00 H ATOM 432 HG3 LYS A 26 -3.322 31.786 7.231 1.00 0.00 H ATOM 433 HD2 LYS A 26 -5.210 31.041 8.261 1.00 0.00 H ATOM 434 HD3 LYS A 26 -5.798 30.200 6.808 1.00 0.00 H ATOM 435 HE2 LYS A 26 -3.467 29.241 8.499 1.00 0.00 H ATOM 436 HE3 LYS A 26 -4.266 28.371 7.168 1.00 0.00 H ATOM 437 HZ1 LYS A 26 -5.516 29.116 9.758 1.00 0.00 H ATOM 438 HZ2 LYS A 26 -6.279 28.285 8.487 1.00 0.00 H ATOM 439 HZ3 LYS A 26 -4.982 27.565 9.316 1.00 0.00 H ATOM 440 H LYS A 26 -4.991 33.072 3.287 1.00 0.00 H ATOM 441 N GLU A 27 -3.733 29.811 3.008 1.00 24.29 N ATOM 442 CA GLU A 27 -3.370 28.472 2.516 1.00 24.09 C ATOM 443 C GLU A 27 -2.261 28.527 1.472 1.00 23.70 C ATOM 444 O GLU A 27 -1.515 27.571 1.308 1.00 23.72 O ATOM 445 CB GLU A 27 -4.596 27.765 1.926 1.00 24.40 C ATOM 446 CG GLU A 27 -5.504 27.128 2.954 1.00 25.20 C ATOM 447 CD GLU A 27 -4.887 25.911 3.591 1.00 28.16 C ATOM 448 OE1 GLU A 27 -4.133 25.174 2.876 1.00 30.03 O ATOM 449 OE2 GLU A 27 -5.153 25.676 4.806 1.00 29.33 O ATOM 450 HA GLU A 27 -2.999 27.908 3.372 1.00 0.00 H ATOM 451 HB2 GLU A 27 -5.176 28.498 1.366 1.00 0.00 H ATOM 452 HB3 GLU A 27 -4.247 26.985 1.249 1.00 0.00 H ATOM 453 HG2 GLU A 27 -5.719 27.860 3.733 1.00 0.00 H ATOM 454 HG3 GLU A 27 -6.434 26.835 2.466 1.00 0.00 H ATOM 455 H GLU A 27 -4.661 30.206 2.754 1.00 0.00 H ATOM 456 N LEU A 28 -2.170 29.650 0.763 1.00 23.27 N ATOM 457 CA LEU A 28 -1.107 29.864 -0.219 1.00 22.94 C ATOM 458 C LEU A 28 0.224 30.316 0.429 1.00 22.63 C ATOM 459 O LEU A 28 1.223 30.486 -0.261 1.00 22.64 O ATOM 460 CB LEU A 28 -1.561 30.890 -1.269 1.00 22.90 C ATOM 461 CG LEU A 28 -2.623 30.460 -2.300 1.00 23.19 C ATOM 462 CD1 LEU A 28 -3.332 31.670 -2.923 1.00 22.20 C ATOM 463 CD2 LEU A 28 -2.009 29.592 -3.380 1.00 21.36 C ATOM 464 HA LEU A 28 -0.916 28.904 -0.699 1.00 0.00 H ATOM 465 HB2 LEU A 28 -1.963 31.748 -0.730 1.00 0.00 H ATOM 466 HB3 LEU A 28 -0.675 31.195 -1.826 1.00 0.00 H ATOM 467 HG LEU A 28 -3.372 29.874 -1.767 1.00 0.00 H ATOM 468 HD21 LEU A 28 -1.228 30.152 -3.894 1.00 0.00 H ATOM 469 HD22 LEU A 28 -1.579 28.699 -2.926 1.00 0.00 H ATOM 470 HD23 LEU A 28 -2.780 29.303 -4.094 1.00 0.00 H ATOM 471 HD11 LEU A 28 -3.827 32.243 -2.139 1.00 0.00 H ATOM 472 HD12 LEU A 28 -2.599 32.299 -3.427 1.00 0.00 H ATOM 473 HD13 LEU A 28 -4.073 31.324 -3.644 1.00 0.00 H ATOM 474 H LEU A 28 -2.877 30.398 0.912 1.00 0.00 H ATOM 475 N GLY A 29 0.215 30.524 1.745 1.00 22.40 N ATOM 476 CA GLY A 29 1.378 31.065 2.454 1.00 22.13 C ATOM 477 C GLY A 29 1.262 32.512 2.955 1.00 22.18 C ATOM 478 O GLY A 29 2.167 32.994 3.637 1.00 22.05 O ATOM 479 HA3 GLY A 29 2.231 31.016 1.777 1.00 0.00 H ATOM 480 HA2 GLY A 29 1.565 30.429 3.319 1.00 0.00 H ATOM 481 H GLY A 29 -0.644 30.295 2.286 1.00 0.00 H ATOM 482 N PHE A 30 0.150 33.195 2.630 1.00 21.98 N ATOM 483 CA PHE A 30 -0.041 34.619 2.997 1.00 22.20 C ATOM 484 C PHE A 30 -0.934 34.853 4.243 1.00 22.39 C ATOM 485 O PHE A 30 -2.170 34.864 4.150 1.00 22.33 O ATOM 486 CB PHE A 30 -0.572 35.433 1.799 1.00 21.84 C ATOM 487 CG PHE A 30 0.315 35.367 0.580 1.00 22.12 C ATOM 488 CD1 PHE A 30 1.550 36.027 0.559 1.00 21.52 C ATOM 489 CD2 PHE A 30 -0.074 34.632 -0.544 1.00 21.57 C ATOM 490 CE1 PHE A 30 2.381 35.951 -0.558 1.00 21.95 C ATOM 491 CE2 PHE A 30 0.744 34.557 -1.668 1.00 21.36 C ATOM 492 CZ PHE A 30 1.977 35.210 -1.676 1.00 22.05 C ATOM 493 HA PHE A 30 0.952 34.973 3.274 1.00 0.00 H ATOM 494 HB2 PHE A 30 -1.556 35.048 1.530 1.00 0.00 H ATOM 495 HB3 PHE A 30 -0.662 36.476 2.104 1.00 0.00 H ATOM 496 HD2 PHE A 30 -1.031 34.110 -0.540 1.00 0.00 H ATOM 497 HE2 PHE A 30 0.422 33.989 -2.541 1.00 0.00 H ATOM 498 HZ PHE A 30 2.624 35.144 -2.550 1.00 0.00 H ATOM 499 HE1 PHE A 30 3.341 36.466 -0.561 1.00 0.00 H ATOM 500 HD1 PHE A 30 1.865 36.607 1.426 1.00 0.00 H ATOM 501 H PHE A 30 -0.602 32.707 2.103 1.00 0.00 H ATOM 502 N ASN A 31 -0.287 35.096 5.384 1.00 22.47 N ATOM 503 CA ASN A 31 -0.974 35.283 6.657 1.00 22.30 C ATOM 504 C ASN A 31 -1.141 36.757 7.057 1.00 22.50 C ATOM 505 O ASN A 31 -1.800 37.068 8.058 1.00 22.64 O ATOM 506 CB ASN A 31 -0.233 34.534 7.762 1.00 22.66 C ATOM 507 CG ASN A 31 -0.004 33.063 7.420 1.00 23.45 C ATOM 508 OD1 ASN A 31 -0.949 32.273 7.364 1.00 24.20 O ATOM 509 ND2 ASN A 31 1.263 32.691 7.205 1.00 23.86 N ATOM 510 HA ASN A 31 -1.978 34.880 6.525 1.00 0.00 H ATOM 511 HB2 ASN A 31 0.734 35.011 7.920 1.00 0.00 H ATOM 512 HB3 ASN A 31 -0.820 34.593 8.679 1.00 0.00 H ATOM 513 HD22 ASN A 31 2.028 33.393 7.263 1.00 0.00 H ATOM 514 HD21 ASN A 31 1.483 31.700 6.980 1.00 0.00 H ATOM 515 H ASN A 31 0.751 35.155 5.365 1.00 0.00 H ATOM 516 N ASN A 32 -0.531 37.659 6.291 1.00 22.52 N ATOM 517 CA ASN A 32 -0.675 39.089 6.540 1.00 22.94 C ATOM 518 C ASN A 32 -1.809 39.644 5.695 1.00 23.08 C ATOM 519 O ASN A 32 -1.588 40.174 4.600 1.00 23.01 O ATOM 520 CB ASN A 32 0.633 39.820 6.229 1.00 23.31 C ATOM 521 CG ASN A 32 0.744 41.178 6.932 1.00 24.03 C ATOM 522 OD1 ASN A 32 1.800 41.834 6.871 1.00 25.36 O ATOM 523 ND2 ASN A 32 -0.329 41.600 7.611 1.00 24.48 N ATOM 524 HA ASN A 32 -0.909 39.245 7.593 1.00 0.00 H ATOM 525 HB2 ASN A 32 1.466 39.194 6.550 1.00 0.00 H ATOM 526 HB3 ASN A 32 0.694 39.980 5.153 1.00 0.00 H ATOM 527 HD22 ASN A 32 -1.191 41.019 7.635 1.00 0.00 H ATOM 528 HD21 ASN A 32 -0.301 42.509 8.115 1.00 0.00 H ATOM 529 H ASN A 32 0.061 37.337 5.498 1.00 0.00 H ATOM 530 N VAL A 33 -3.034 39.489 6.191 1.00 23.20 N ATOM 531 CA VAL A 33 -4.220 39.839 5.416 1.00 23.02 C ATOM 532 C VAL A 33 -5.218 40.631 6.247 1.00 23.13 C ATOM 533 O VAL A 33 -5.608 40.214 7.350 1.00 23.47 O ATOM 534 CB VAL A 33 -4.910 38.585 4.844 1.00 22.96 C ATOM 535 CG1 VAL A 33 -6.167 38.975 4.071 1.00 22.59 C ATOM 536 CG2 VAL A 33 -3.939 37.800 3.955 1.00 23.03 C ATOM 537 HA VAL A 33 -3.879 40.463 4.589 1.00 0.00 H ATOM 538 HB VAL A 33 -5.208 37.941 5.671 1.00 0.00 H ATOM 539 HG11 VAL A 33 -6.859 39.488 4.739 1.00 0.00 H ATOM 540 HG12 VAL A 33 -5.896 39.638 3.249 1.00 0.00 H ATOM 541 HG13 VAL A 33 -6.641 38.077 3.674 1.00 0.00 H ATOM 542 HG21 VAL A 33 -3.611 38.433 3.130 1.00 0.00 H ATOM 543 HG22 VAL A 33 -3.075 37.493 4.545 1.00 0.00 H ATOM 544 HG23 VAL A 33 -4.443 36.918 3.560 1.00 0.00 H ATOM 545 H VAL A 33 -3.149 39.110 7.153 1.00 0.00 H ATOM 546 N GLU A 34 -5.631 41.774 5.718 1.00 22.75 N ATOM 547 CA GLU A 34 -6.665 42.571 6.358 1.00 22.49 C ATOM 548 C GLU A 34 -7.859 42.752 5.429 1.00 22.14 C ATOM 549 O GLU A 34 -7.770 42.460 4.235 1.00 22.21 O ATOM 550 CB GLU A 34 -6.094 43.911 6.825 1.00 22.89 C ATOM 551 CG GLU A 34 -5.196 43.784 8.081 1.00 22.23 C ATOM 552 CD GLU A 34 -4.514 45.096 8.466 1.00 22.52 C ATOM 553 OE1 GLU A 34 -5.132 46.176 8.311 1.00 21.39 O ATOM 554 OE2 GLU A 34 -3.353 45.041 8.939 1.00 23.38 O ATOM 555 HA GLU A 34 -7.022 42.041 7.241 1.00 0.00 H ATOM 556 HB2 GLU A 34 -5.501 44.337 6.016 1.00 0.00 H ATOM 557 HB3 GLU A 34 -6.923 44.580 7.057 1.00 0.00 H ATOM 558 HG2 GLU A 34 -5.813 43.455 8.917 1.00 0.00 H ATOM 559 HG3 GLU A 34 -4.426 43.038 7.884 1.00 0.00 H ATOM 560 H GLU A 34 -5.207 42.107 4.828 1.00 0.00 H ATOM 561 N GLU A 35 -8.985 43.191 5.998 1.00 21.86 N ATOM 562 CA GLU A 35 -10.265 43.254 5.271 1.00 21.26 C ATOM 563 C GLU A 35 -10.943 44.611 5.406 1.00 20.91 C ATOM 564 O GLU A 35 -10.814 45.296 6.438 1.00 19.97 O ATOM 565 CB GLU A 35 -11.243 42.187 5.779 1.00 21.48 C ATOM 566 CG GLU A 35 -10.651 40.829 6.054 1.00 21.64 C ATOM 567 CD GLU A 35 -11.703 39.829 6.439 1.00 22.69 C ATOM 568 OE1 GLU A 35 -12.866 40.237 6.666 1.00 24.55 O ATOM 569 OE2 GLU A 35 -11.378 38.627 6.528 1.00 24.87 O ATOM 570 HA GLU A 35 -10.020 43.079 4.224 1.00 0.00 H ATOM 571 HB2 GLU A 35 -11.685 42.553 6.706 1.00 0.00 H ATOM 572 HB3 GLU A 35 -12.024 42.065 5.029 1.00 0.00 H ATOM 573 HG2 GLU A 35 -10.142 40.478 5.157 1.00 0.00 H ATOM 574 HG3 GLU A 35 -9.932 40.916 6.868 1.00 0.00 H ATOM 575 H GLU A 35 -8.957 43.500 6.991 1.00 0.00 H ATOM 576 N ALA A 36 -11.686 44.968 4.357 1.00 20.81 N ATOM 577 CA ALA A 36 -12.577 46.125 4.350 1.00 20.97 C ATOM 578 C ALA A 36 -13.931 45.710 3.792 1.00 20.97 C ATOM 579 O ALA A 36 -14.008 44.839 2.935 1.00 21.01 O ATOM 580 CB ALA A 36 -11.977 47.248 3.517 1.00 20.72 C ATOM 581 HA ALA A 36 -12.706 46.491 5.369 1.00 0.00 H ATOM 582 HB1 ALA A 36 -11.016 47.540 3.941 1.00 0.00 H ATOM 583 HB2 ALA A 36 -11.833 46.902 2.493 1.00 0.00 H ATOM 584 HB3 ALA A 36 -12.653 48.103 3.522 1.00 0.00 H ATOM 585 H ALA A 36 -11.627 44.389 3.495 1.00 0.00 H ATOM 586 N GLU A 37 -14.996 46.340 4.272 1.00 21.57 N ATOM 587 CA GLU A 37 -16.361 45.983 3.850 1.00 22.32 C ATOM 588 C GLU A 37 -16.902 46.840 2.704 1.00 22.06 C ATOM 589 O GLU A 37 -17.952 46.524 2.132 1.00 22.55 O ATOM 590 CB GLU A 37 -17.335 46.005 5.039 1.00 22.04 C ATOM 591 CG GLU A 37 -17.425 47.375 5.777 1.00 25.10 C ATOM 592 CD GLU A 37 -18.615 47.358 6.783 1.00 27.30 C ATOM 593 OE1 GLU A 37 -18.978 46.243 7.268 1.00 29.87 O ATOM 594 OE2 GLU A 37 -19.176 48.448 7.083 1.00 24.04 O ATOM 595 HA GLU A 37 -16.286 44.967 3.463 1.00 0.00 H ATOM 596 HB2 GLU A 37 -18.329 45.751 4.670 1.00 0.00 H ATOM 597 HB3 GLU A 37 -17.012 45.252 5.758 1.00 0.00 H ATOM 598 HG2 GLU A 37 -16.496 47.556 6.318 1.00 0.00 H ATOM 599 HG3 GLU A 37 -17.580 48.170 5.047 1.00 0.00 H ATOM 600 H GLU A 37 -14.863 47.105 4.964 1.00 0.00 H ATOM 601 N ASP A 38 -16.212 47.937 2.401 1.00 21.64 N ATOM 602 CA ASP A 38 -16.558 48.784 1.240 1.00 21.43 C ATOM 603 C ASP A 38 -15.365 49.630 0.801 1.00 21.26 C ATOM 604 O ASP A 38 -14.299 49.555 1.390 1.00 21.17 O ATOM 605 CB ASP A 38 -17.805 49.649 1.514 1.00 20.82 C ATOM 606 CG ASP A 38 -17.565 50.724 2.570 1.00 20.63 C ATOM 607 OD1 ASP A 38 -16.458 51.311 2.590 1.00 19.96 O ATOM 608 OD2 ASP A 38 -18.498 51.000 3.367 1.00 18.65 O ATOM 609 HA ASP A 38 -16.811 48.121 0.413 1.00 0.00 H ATOM 610 HB2 ASP A 38 -18.102 50.135 0.585 1.00 0.00 H ATOM 611 HB3 ASP A 38 -18.610 48.999 1.856 1.00 0.00 H ATOM 612 H ASP A 38 -15.405 48.206 2.999 1.00 0.00 H ATOM 613 N GLY A 39 -15.548 50.420 -0.243 1.00 21.62 N ATOM 614 CA GLY A 39 -14.456 51.255 -0.781 1.00 21.75 C ATOM 615 C GLY A 39 -13.971 52.359 0.149 1.00 21.48 C ATOM 616 O GLY A 39 -12.779 52.627 0.218 1.00 21.64 O ATOM 617 HA3 GLY A 39 -14.808 51.719 -1.702 1.00 0.00 H ATOM 618 HA2 GLY A 39 -13.610 50.604 -1.003 1.00 0.00 H ATOM 619 H GLY A 39 -16.484 50.454 -0.696 1.00 0.00 H ATOM 620 N VAL A 40 -14.901 53.024 0.836 1.00 21.47 N ATOM 621 CA VAL A 40 -14.538 54.085 1.791 1.00 21.55 C ATOM 622 C VAL A 40 -13.635 53.502 2.878 1.00 21.67 C ATOM 623 O VAL A 40 -12.511 53.977 3.084 1.00 22.29 O ATOM 624 CB VAL A 40 -15.787 54.747 2.422 1.00 21.44 C ATOM 625 CG1 VAL A 40 -15.421 55.484 3.718 1.00 21.60 C ATOM 626 CG2 VAL A 40 -16.448 55.694 1.423 1.00 21.37 C ATOM 627 HA VAL A 40 -14.003 54.864 1.247 1.00 0.00 H ATOM 628 HB VAL A 40 -16.501 53.963 2.676 1.00 0.00 H ATOM 629 HG11 VAL A 40 -15.001 54.775 4.432 1.00 0.00 H ATOM 630 HG12 VAL A 40 -14.686 56.259 3.499 1.00 0.00 H ATOM 631 HG13 VAL A 40 -16.316 55.940 4.141 1.00 0.00 H ATOM 632 HG21 VAL A 40 -15.739 56.471 1.137 1.00 0.00 H ATOM 633 HG22 VAL A 40 -16.751 55.133 0.539 1.00 0.00 H ATOM 634 HG23 VAL A 40 -17.324 56.151 1.883 1.00 0.00 H ATOM 635 H VAL A 40 -15.904 52.788 0.694 1.00 0.00 H ATOM 636 N ASP A 41 -14.132 52.457 3.543 1.00 21.18 N ATOM 637 CA ASP A 41 -13.356 51.653 4.474 1.00 20.80 C ATOM 638 C ASP A 41 -11.972 51.257 3.904 1.00 20.51 C ATOM 639 O ASP A 41 -10.935 51.529 4.535 1.00 20.14 O ATOM 640 CB ASP A 41 -14.173 50.421 4.885 1.00 20.89 C ATOM 641 CG ASP A 41 -13.658 49.763 6.142 1.00 22.41 C ATOM 642 OD1 ASP A 41 -12.727 50.305 6.757 1.00 25.85 O ATOM 643 OD2 ASP A 41 -14.181 48.680 6.521 1.00 25.04 O ATOM 644 HA ASP A 41 -13.151 52.257 5.358 1.00 0.00 H ATOM 645 HB2 ASP A 41 -15.205 50.729 5.052 1.00 0.00 H ATOM 646 HB3 ASP A 41 -14.138 49.694 4.073 1.00 0.00 H ATOM 647 H ASP A 41 -15.129 52.204 3.387 1.00 0.00 H ATOM 648 N ALA A 42 -11.960 50.670 2.701 1.00 20.43 N ATOM 649 CA ALA A 42 -10.704 50.246 2.045 1.00 20.75 C ATOM 650 C ALA A 42 -9.645 51.353 1.936 1.00 21.25 C ATOM 651 O ALA A 42 -8.460 51.109 2.182 1.00 21.18 O ATOM 652 CB ALA A 42 -10.978 49.651 0.668 1.00 20.35 C ATOM 653 HA ALA A 42 -10.285 49.483 2.701 1.00 0.00 H ATOM 654 HB1 ALA A 42 -11.628 48.783 0.772 1.00 0.00 H ATOM 655 HB2 ALA A 42 -11.465 50.398 0.041 1.00 0.00 H ATOM 656 HB3 ALA A 42 -10.036 49.349 0.210 1.00 0.00 H ATOM 657 H ALA A 42 -12.863 50.507 2.212 1.00 0.00 H ATOM 658 N LEU A 43 -10.072 52.558 1.548 1.00 21.74 N ATOM 659 CA LEU A 43 -9.146 53.657 1.372 1.00 22.76 C ATOM 660 C LEU A 43 -8.609 54.179 2.690 1.00 23.25 C ATOM 661 O LEU A 43 -7.428 54.482 2.791 1.00 23.86 O ATOM 662 CB LEU A 43 -9.785 54.784 0.576 1.00 23.01 C ATOM 663 CG LEU A 43 -9.756 54.603 -0.942 1.00 23.44 C ATOM 664 CD1 LEU A 43 -10.824 55.514 -1.573 1.00 25.50 C ATOM 665 CD2 LEU A 43 -8.377 54.908 -1.504 1.00 21.47 C ATOM 666 HA LEU A 43 -8.298 53.265 0.810 1.00 0.00 H ATOM 667 HB2 LEU A 43 -10.826 54.869 0.886 1.00 0.00 H ATOM 668 HB3 LEU A 43 -9.259 55.708 0.816 1.00 0.00 H ATOM 669 HG LEU A 43 -9.978 53.564 -1.185 1.00 0.00 H ATOM 670 HD21 LEU A 43 -8.111 55.939 -1.270 1.00 0.00 H ATOM 671 HD22 LEU A 43 -7.647 54.233 -1.058 1.00 0.00 H ATOM 672 HD23 LEU A 43 -8.388 54.770 -2.585 1.00 0.00 H ATOM 673 HD11 LEU A 43 -11.806 55.241 -1.187 1.00 0.00 H ATOM 674 HD12 LEU A 43 -10.609 56.552 -1.321 1.00 0.00 H ATOM 675 HD13 LEU A 43 -10.810 55.391 -2.656 1.00 0.00 H ATOM 676 H LEU A 43 -11.085 52.709 1.370 1.00 0.00 H ATOM 677 N ASN A 44 -9.482 54.289 3.695 1.00 23.71 N ATOM 678 CA ASN A 44 -9.071 54.638 5.062 1.00 23.75 C ATOM 679 C ASN A 44 -7.941 53.738 5.528 1.00 23.68 C ATOM 680 O ASN A 44 -6.956 54.201 6.105 1.00 22.87 O ATOM 681 CB ASN A 44 -10.251 54.484 6.024 1.00 23.97 C ATOM 682 CG ASN A 44 -11.335 55.512 5.794 1.00 23.98 C ATOM 683 OD1 ASN A 44 -12.500 55.312 6.182 1.00 23.72 O ATOM 684 ND2 ASN A 44 -10.965 56.632 5.170 1.00 25.22 N ATOM 685 HA ASN A 44 -8.730 55.673 5.056 1.00 0.00 H ATOM 686 HB2 ASN A 44 -10.680 53.491 5.893 1.00 0.00 H ATOM 687 HB3 ASN A 44 -9.884 54.588 7.045 1.00 0.00 H ATOM 688 HD22 ASN A 44 -9.979 56.755 4.864 1.00 0.00 H ATOM 689 HD21 ASN A 44 -11.663 57.382 4.990 1.00 0.00 H ATOM 690 H ASN A 44 -10.490 54.121 3.503 1.00 0.00 H ATOM 691 N LYS A 45 -8.110 52.441 5.264 1.00 23.95 N ATOM 692 CA LYS A 45 -7.128 51.422 5.614 1.00 24.12 C ATOM 693 C LYS A 45 -5.857 51.495 4.771 1.00 23.94 C ATOM 694 O LYS A 45 -4.773 51.287 5.295 1.00 24.52 O ATOM 695 CB LYS A 45 -7.750 50.013 5.542 1.00 24.08 C ATOM 696 CG LYS A 45 -8.771 49.759 6.629 1.00 25.18 C ATOM 697 CD LYS A 45 -9.037 48.267 6.849 1.00 28.01 C ATOM 698 CE LYS A 45 -9.936 48.051 8.108 1.00 28.37 C ATOM 699 NZ LYS A 45 -11.397 48.487 7.898 1.00 26.45 N ATOM 700 HA LYS A 45 -6.828 51.627 6.642 1.00 0.00 H ATOM 701 HB2 LYS A 45 -8.237 49.898 4.574 1.00 0.00 H ATOM 702 HB3 LYS A 45 -6.952 49.276 5.636 1.00 0.00 H ATOM 703 HG2 LYS A 45 -8.404 50.190 7.561 1.00 0.00 H ATOM 704 HG3 LYS A 45 -9.707 50.243 6.350 1.00 0.00 H ATOM 705 HD2 LYS A 45 -9.542 47.859 5.973 1.00 0.00 H ATOM 706 HD3 LYS A 45 -8.088 47.751 6.993 1.00 0.00 H ATOM 707 HE2 LYS A 45 -9.519 48.627 8.934 1.00 0.00 H ATOM 708 HE3 LYS A 45 -9.925 46.991 8.363 1.00 0.00 H ATOM 709 HZ1 LYS A 45 -11.425 49.500 7.664 1.00 0.00 H ATOM 710 HZ2 LYS A 45 -11.813 47.938 7.119 1.00 0.00 H ATOM 711 HZ3 LYS A 45 -11.937 48.317 8.770 1.00 0.00 H ATOM 712 H LYS A 45 -8.984 52.143 4.786 1.00 0.00 H ATOM 713 N LEU A 46 -5.980 51.810 3.482 1.00 23.77 N ATOM 714 CA LEU A 46 -4.784 51.926 2.612 1.00 24.41 C ATOM 715 C LEU A 46 -3.883 53.109 2.947 1.00 24.65 C ATOM 716 O LEU A 46 -2.729 53.161 2.505 1.00 24.35 O ATOM 717 CB LEU A 46 -5.163 51.976 1.130 1.00 24.43 C ATOM 718 CG LEU A 46 -5.661 50.673 0.500 1.00 25.12 C ATOM 719 CD1 LEU A 46 -6.053 50.929 -0.933 1.00 26.02 C ATOM 720 CD2 LEU A 46 -4.623 49.577 0.589 1.00 24.12 C ATOM 721 HA LEU A 46 -4.211 51.021 2.813 1.00 0.00 H ATOM 722 HB2 LEU A 46 -5.951 52.720 1.016 1.00 0.00 H ATOM 723 HB3 LEU A 46 -4.281 52.295 0.575 1.00 0.00 H ATOM 724 HG LEU A 46 -6.533 50.329 1.057 1.00 0.00 H ATOM 725 HD21 LEU A 46 -3.720 49.890 0.064 1.00 0.00 H ATOM 726 HD22 LEU A 46 -4.388 49.385 1.636 1.00 0.00 H ATOM 727 HD23 LEU A 46 -5.015 48.669 0.131 1.00 0.00 H ATOM 728 HD11 LEU A 46 -6.846 51.676 -0.963 1.00 0.00 H ATOM 729 HD12 LEU A 46 -5.187 51.294 -1.486 1.00 0.00 H ATOM 730 HD13 LEU A 46 -6.408 50.002 -1.383 1.00 0.00 H ATOM 731 H LEU A 46 -6.925 51.976 3.081 1.00 0.00 H ATOM 732 N GLN A 47 -4.417 54.059 3.717 1.00 25.26 N ATOM 733 CA GLN A 47 -3.674 55.246 4.113 1.00 26.19 C ATOM 734 C GLN A 47 -2.580 54.938 5.148 1.00 26.24 C ATOM 735 O GLN A 47 -1.456 55.422 5.030 1.00 26.11 O ATOM 736 CB GLN A 47 -4.625 56.321 4.652 1.00 26.80 C ATOM 737 CG GLN A 47 -5.761 56.710 3.683 1.00 28.11 C ATOM 738 CD GLN A 47 -5.253 57.354 2.387 1.00 29.81 C ATOM 739 OE1 GLN A 47 -4.373 58.250 2.411 1.00 29.90 O ATOM 740 NE2 GLN A 47 -5.811 56.910 1.240 1.00 29.42 N ATOM 741 HA GLN A 47 -3.176 55.620 3.219 1.00 0.00 H ATOM 742 HB2 GLN A 47 -5.074 55.949 5.573 1.00 0.00 H ATOM 743 HB3 GLN A 47 -4.041 57.215 4.870 1.00 0.00 H ATOM 744 HG2 GLN A 47 -6.322 55.811 3.427 1.00 0.00 H ATOM 745 HG3 GLN A 47 -6.420 57.417 4.187 1.00 0.00 H ATOM 746 HE22 GLN A 47 -6.537 56.166 1.269 1.00 0.00 H ATOM 747 HE21 GLN A 47 -5.515 57.312 0.328 1.00 0.00 H ATOM 748 H GLN A 47 -5.397 53.947 4.045 1.00 0.00 H ATOM 749 N ALA A 48 -2.911 54.134 6.157 1.00 26.38 N ATOM 750 CA ALA A 48 -1.936 53.733 7.194 1.00 26.40 C ATOM 751 C ALA A 48 -0.714 53.044 6.605 1.00 26.21 C ATOM 752 O ALA A 48 0.270 52.820 7.310 1.00 26.59 O ATOM 753 CB ALA A 48 -2.599 52.812 8.217 1.00 26.70 C ATOM 754 HA ALA A 48 -1.598 54.647 7.682 1.00 0.00 H ATOM 755 HB1 ALA A 48 -3.429 53.336 8.691 1.00 0.00 H ATOM 756 HB2 ALA A 48 -2.971 51.920 7.713 1.00 0.00 H ATOM 757 HB3 ALA A 48 -1.868 52.526 8.974 1.00 0.00 H ATOM 758 H ALA A 48 -3.886 53.777 6.217 1.00 0.00 H ATOM 759 N GLY A 49 -0.822 52.741 5.285 1.00 25.87 N ATOM 760 CA GLY A 49 0.220 52.206 4.403 1.00 25.29 C ATOM 761 C GLY A 49 0.635 50.773 4.621 1.00 25.13 C ATOM 762 O GLY A 49 0.056 50.072 5.454 1.00 24.85 O ATOM 763 HA3 GLY A 49 1.107 52.828 4.527 1.00 0.00 H ATOM 764 HA2 GLY A 49 -0.141 52.291 3.378 1.00 0.00 H ATOM 765 H GLY A 49 -1.752 52.908 4.850 1.00 0.00 H ATOM 766 N GLY A 50 1.660 50.347 3.873 1.00 24.61 N ATOM 767 CA GLY A 50 2.256 49.024 4.045 1.00 23.85 C ATOM 768 C GLY A 50 1.629 47.908 3.238 1.00 23.31 C ATOM 769 O GLY A 50 2.157 46.796 3.213 1.00 23.75 O ATOM 770 HA3 GLY A 50 2.181 48.758 5.099 1.00 0.00 H ATOM 771 HA2 GLY A 50 3.307 49.091 3.763 1.00 0.00 H ATOM 772 H GLY A 50 2.046 50.980 3.144 1.00 0.00 H ATOM 773 N PHE A 51 0.497 48.191 2.595 1.00 22.21 N ATOM 774 CA PHE A 51 -0.197 47.198 1.780 1.00 21.31 C ATOM 775 C PHE A 51 0.544 46.969 0.445 1.00 21.05 C ATOM 776 O PHE A 51 1.096 47.899 -0.134 1.00 21.09 O ATOM 777 CB PHE A 51 -1.666 47.630 1.526 1.00 21.56 C ATOM 778 CG PHE A 51 -2.590 47.438 2.727 1.00 20.52 C ATOM 779 CD1 PHE A 51 -3.213 46.222 2.955 1.00 20.22 C ATOM 780 CD2 PHE A 51 -2.840 48.489 3.614 1.00 20.83 C ATOM 781 CE1 PHE A 51 -4.053 46.041 4.057 1.00 20.31 C ATOM 782 CE2 PHE A 51 -3.687 48.324 4.712 1.00 19.07 C ATOM 783 CZ PHE A 51 -4.287 47.101 4.937 1.00 20.90 C ATOM 784 HA PHE A 51 -0.207 46.255 2.327 1.00 0.00 H ATOM 785 HB2 PHE A 51 -1.671 48.686 1.256 1.00 0.00 H ATOM 786 HB3 PHE A 51 -2.057 47.042 0.696 1.00 0.00 H ATOM 787 HD2 PHE A 51 -2.365 49.455 3.446 1.00 0.00 H ATOM 788 HE2 PHE A 51 -3.874 49.158 5.389 1.00 0.00 H ATOM 789 HZ PHE A 51 -4.941 46.963 5.798 1.00 0.00 H ATOM 790 HE1 PHE A 51 -4.525 45.074 4.230 1.00 0.00 H ATOM 791 HD1 PHE A 51 -3.046 45.395 2.265 1.00 0.00 H ATOM 792 H PHE A 51 0.096 49.147 2.676 1.00 0.00 H ATOM 793 N GLY A 52 0.550 45.729 -0.031 1.00 20.70 N ATOM 794 CA GLY A 52 1.248 45.387 -1.261 1.00 20.50 C ATOM 795 C GLY A 52 0.379 44.822 -2.380 1.00 20.51 C ATOM 796 O GLY A 52 0.838 44.683 -3.509 1.00 20.42 O ATOM 797 HA3 GLY A 52 2.008 44.644 -1.019 1.00 0.00 H ATOM 798 HA2 GLY A 52 1.730 46.290 -1.635 1.00 0.00 H ATOM 799 H GLY A 52 0.043 44.984 0.488 1.00 0.00 H ATOM 800 N PHE A 53 -0.874 44.512 -2.066 1.00 20.38 N ATOM 801 CA PHE A 53 -1.774 43.861 -3.008 1.00 20.85 C ATOM 802 C PHE A 53 -3.217 44.060 -2.541 1.00 21.03 C ATOM 803 O PHE A 53 -3.525 43.899 -1.365 1.00 20.90 O ATOM 804 CB PHE A 53 -1.457 42.352 -3.088 1.00 21.04 C ATOM 805 CG PHE A 53 -1.900 41.685 -4.382 1.00 20.85 C ATOM 806 CD1 PHE A 53 -3.255 41.512 -4.675 1.00 19.87 C ATOM 807 CD2 PHE A 53 -0.949 41.154 -5.271 1.00 20.57 C ATOM 808 CE1 PHE A 53 -3.658 40.865 -5.851 1.00 18.55 C ATOM 809 CE2 PHE A 53 -1.347 40.522 -6.449 1.00 19.28 C ATOM 810 CZ PHE A 53 -2.709 40.388 -6.737 1.00 19.18 C ATOM 811 HA PHE A 53 -1.642 44.301 -3.997 1.00 0.00 H ATOM 812 HB2 PHE A 53 -0.379 42.224 -2.990 1.00 0.00 H ATOM 813 HB3 PHE A 53 -1.958 41.854 -2.258 1.00 0.00 H ATOM 814 HD2 PHE A 53 0.112 41.237 -5.037 1.00 0.00 H ATOM 815 HE2 PHE A 53 -0.600 40.134 -7.142 1.00 0.00 H ATOM 816 HZ PHE A 53 -3.024 39.906 -7.663 1.00 0.00 H ATOM 817 HE1 PHE A 53 -4.719 40.738 -6.067 1.00 0.00 H ATOM 818 HD1 PHE A 53 -4.008 41.885 -3.981 1.00 0.00 H ATOM 819 H PHE A 53 -1.225 44.742 -1.114 1.00 0.00 H ATOM 820 N ILE A 54 -4.096 44.402 -3.473 1.00 21.32 N ATOM 821 CA ILE A 54 -5.507 44.548 -3.165 1.00 21.69 C ATOM 822 C ILE A 54 -6.400 43.630 -4.019 1.00 22.03 C ATOM 823 O ILE A 54 -6.275 43.574 -5.256 1.00 21.45 O ATOM 824 CB ILE A 54 -5.965 45.986 -3.333 1.00 21.88 C ATOM 825 CG1 ILE A 54 -5.249 46.881 -2.320 1.00 22.69 C ATOM 826 CG2 ILE A 54 -7.488 46.073 -3.182 1.00 21.46 C ATOM 827 CD1 ILE A 54 -4.620 48.107 -2.946 1.00 26.48 C ATOM 828 HA ILE A 54 -5.614 44.251 -2.122 1.00 0.00 H ATOM 829 HB ILE A 54 -5.708 46.336 -4.333 1.00 0.00 H ATOM 830 HG12 ILE A 54 -5.973 47.206 -1.573 1.00 0.00 H ATOM 831 HG13 ILE A 54 -4.465 46.298 -1.836 1.00 0.00 H ATOM 832 HD11 ILE A 54 -3.885 47.797 -3.689 1.00 0.00 H ATOM 833 HD12 ILE A 54 -5.394 48.706 -3.426 1.00 0.00 H ATOM 834 HD13 ILE A 54 -4.129 48.697 -2.172 1.00 0.00 H ATOM 835 HG21 ILE A 54 -7.963 45.454 -3.943 1.00 0.00 H ATOM 836 HG22 ILE A 54 -7.775 45.718 -2.192 1.00 0.00 H ATOM 837 HG23 ILE A 54 -7.805 47.109 -3.304 1.00 0.00 H ATOM 838 H ILE A 54 -3.767 44.569 -4.445 1.00 0.00 H ATOM 839 N ILE A 55 -7.321 42.940 -3.332 1.00 22.04 N ATOM 840 CA ILE A 55 -8.309 42.068 -3.973 1.00 21.72 C ATOM 841 C ILE A 55 -9.640 42.703 -3.661 1.00 21.63 C ATOM 842 O ILE A 55 -10.022 42.816 -2.510 1.00 21.25 O ATOM 843 CB ILE A 55 -8.263 40.637 -3.480 1.00 21.92 C ATOM 844 CG1 ILE A 55 -6.896 39.999 -3.724 1.00 21.89 C ATOM 845 CG2 ILE A 55 -9.359 39.820 -4.130 1.00 20.90 C ATOM 846 CD1 ILE A 55 -6.653 38.674 -3.114 1.00 25.07 C ATOM 847 HA ILE A 55 -8.112 41.989 -5.042 1.00 0.00 H ATOM 848 HB ILE A 55 -8.428 40.651 -2.403 1.00 0.00 H ATOM 849 HG12 ILE A 55 -6.770 39.893 -4.802 1.00 0.00 H ATOM 850 HG13 ILE A 55 -6.140 40.683 -3.337 1.00 0.00 H ATOM 851 HD11 ILE A 55 -6.751 38.750 -2.031 1.00 0.00 H ATOM 852 HD12 ILE A 55 -7.382 37.960 -3.497 1.00 0.00 H ATOM 853 HD13 ILE A 55 -5.647 38.338 -3.366 1.00 0.00 H ATOM 854 HG21 ILE A 55 -10.328 40.251 -3.881 1.00 0.00 H ATOM 855 HG22 ILE A 55 -9.224 39.828 -5.212 1.00 0.00 H ATOM 856 HG23 ILE A 55 -9.311 38.794 -3.764 1.00 0.00 H ATOM 857 H ILE A 55 -7.335 43.028 -2.296 1.00 0.00 H ATOM 858 N SER A 56 -10.342 43.087 -4.713 1.00 21.13 N ATOM 859 CA SER A 56 -11.584 43.833 -4.512 1.00 21.21 C ATOM 860 C SER A 56 -12.836 43.437 -5.251 1.00 21.06 C ATOM 861 O SER A 56 -12.827 43.132 -6.459 1.00 21.59 O ATOM 862 CB SER A 56 -11.301 45.313 -4.800 1.00 21.19 C ATOM 863 OG SER A 56 -12.467 46.103 -4.619 1.00 22.03 O ATOM 864 HA SER A 56 -11.840 43.590 -3.481 1.00 0.00 H ATOM 865 HB2 SER A 56 -10.958 45.416 -5.829 1.00 0.00 H ATOM 866 HB3 SER A 56 -10.524 45.665 -4.122 1.00 0.00 H ATOM 867 HG SER A 56 -13.175 45.790 -5.236 1.00 0.00 H ATOM 868 H SER A 56 -10.015 42.861 -5.674 1.00 0.00 H ATOM 869 N ASP A 57 -13.917 43.447 -4.508 1.00 20.33 N ATOM 870 CA ASP A 57 -15.237 43.198 -4.992 1.00 20.46 C ATOM 871 C ASP A 57 -15.629 44.426 -5.843 1.00 20.19 C ATOM 872 O ASP A 57 -14.945 45.454 -5.801 1.00 19.99 O ATOM 873 CB ASP A 57 -16.201 42.982 -3.810 1.00 20.47 C ATOM 874 CG ASP A 57 -17.647 42.747 -4.266 1.00 21.55 C ATOM 875 OD1 ASP A 57 -17.836 42.125 -5.340 1.00 21.97 O ATOM 876 OD2 ASP A 57 -18.581 43.165 -3.543 1.00 22.93 O ATOM 877 HA ASP A 57 -15.286 42.293 -5.598 1.00 0.00 H ATOM 878 HB2 ASP A 57 -15.868 42.114 -3.241 1.00 0.00 H ATOM 879 HB3 ASP A 57 -16.175 43.865 -3.171 1.00 0.00 H ATOM 880 H ASP A 57 -13.805 43.651 -3.494 1.00 0.00 H ATOM 881 N TRP A 58 -16.720 44.339 -6.602 1.00 20.17 N ATOM 882 CA TRP A 58 -17.235 45.513 -7.327 1.00 20.14 C ATOM 883 C TRP A 58 -18.426 46.117 -6.574 1.00 20.54 C ATOM 884 O TRP A 58 -18.333 47.222 -6.025 1.00 20.35 O ATOM 885 CB TRP A 58 -17.621 45.163 -8.770 1.00 19.45 C ATOM 886 CG TRP A 58 -17.946 46.353 -9.620 1.00 19.37 C ATOM 887 CD1 TRP A 58 -18.687 47.447 -9.261 1.00 18.19 C ATOM 888 CD2 TRP A 58 -17.562 46.567 -10.992 1.00 19.16 C ATOM 889 NE1 TRP A 58 -18.773 48.325 -10.309 1.00 17.36 N ATOM 890 CE2 TRP A 58 -18.089 47.816 -11.382 1.00 17.44 C ATOM 891 CE3 TRP A 58 -16.818 45.823 -11.926 1.00 19.48 C ATOM 892 CZ2 TRP A 58 -17.894 48.345 -12.658 1.00 17.09 C ATOM 893 CZ3 TRP A 58 -16.622 46.357 -13.199 1.00 17.98 C ATOM 894 CH2 TRP A 58 -17.153 47.605 -13.547 1.00 17.77 C ATOM 895 HA TRP A 58 -16.438 46.255 -7.377 1.00 0.00 H ATOM 896 HB2 TRP A 58 -16.787 44.631 -9.229 1.00 0.00 H ATOM 897 HB3 TRP A 58 -18.495 44.512 -8.743 1.00 0.00 H ATOM 898 HE1 TRP A 58 -19.278 49.234 -10.293 1.00 0.00 H ATOM 899 HD1 TRP A 58 -19.143 47.598 -8.282 1.00 0.00 H ATOM 900 HZ2 TRP A 58 -18.314 49.311 -12.939 1.00 0.00 H ATOM 901 HH2 TRP A 58 -16.974 47.999 -14.547 1.00 0.00 H ATOM 902 HZ3 TRP A 58 -16.047 45.794 -13.934 1.00 0.00 H ATOM 903 HE3 TRP A 58 -16.404 44.850 -11.660 1.00 0.00 H ATOM 904 H TRP A 58 -17.216 43.428 -6.684 1.00 0.00 H ATOM 905 N ASN A 59 -19.529 45.377 -6.520 1.00 20.69 N ATOM 906 CA ASN A 59 -20.732 45.887 -5.903 1.00 21.45 C ATOM 907 C ASN A 59 -20.655 45.931 -4.373 1.00 21.07 C ATOM 908 O ASN A 59 -20.684 44.891 -3.693 1.00 20.71 O ATOM 909 CB ASN A 59 -21.975 45.134 -6.400 1.00 22.08 C ATOM 910 CG ASN A 59 -22.136 45.199 -7.930 1.00 25.33 C ATOM 911 OD1 ASN A 59 -21.875 46.234 -8.563 1.00 26.95 O ATOM 912 ND2 ASN A 59 -22.578 44.083 -8.529 1.00 30.67 N ATOM 913 HA ASN A 59 -20.826 46.926 -6.219 1.00 0.00 H ATOM 914 HB2 ASN A 59 -21.893 44.089 -6.102 1.00 0.00 H ATOM 915 HB3 ASN A 59 -22.858 45.574 -5.937 1.00 0.00 H ATOM 916 HD22 ASN A 59 -22.786 43.236 -7.962 1.00 0.00 H ATOM 917 HD21 ASN A 59 -22.713 44.065 -9.560 1.00 0.00 H ATOM 918 H ASN A 59 -19.526 44.420 -6.927 1.00 0.00 H ATOM 919 N MET A 60 -20.538 47.149 -3.848 1.00 20.64 N ATOM 920 CA MET A 60 -20.492 47.393 -2.420 1.00 20.89 C ATOM 921 C MET A 60 -21.164 48.744 -2.154 1.00 21.27 C ATOM 922 O MET A 60 -21.091 49.657 -3.004 1.00 21.32 O ATOM 923 CB MET A 60 -19.027 47.456 -1.936 1.00 20.96 C ATOM 924 CG MET A 60 -18.209 46.178 -2.128 1.00 21.64 C ATOM 925 SD MET A 60 -16.453 46.357 -1.718 1.00 22.17 S ATOM 926 CE MET A 60 -15.926 47.551 -2.956 1.00 22.08 C ATOM 927 HA MET A 60 -21.002 46.589 -1.889 1.00 0.00 H ATOM 928 HB2 MET A 60 -18.528 48.258 -2.480 1.00 0.00 H ATOM 929 HB3 MET A 60 -19.036 47.692 -0.872 1.00 0.00 H ATOM 930 HG2 MET A 60 -18.288 45.874 -3.172 1.00 0.00 H ATOM 931 HG3 MET A 60 -18.632 45.401 -1.491 1.00 0.00 H ATOM 932 HE1 MET A 60 -16.100 47.142 -3.951 1.00 0.00 H ATOM 933 HE2 MET A 60 -16.496 48.472 -2.836 1.00 0.00 H ATOM 934 HE3 MET A 60 -14.864 47.760 -2.828 1.00 0.00 H ATOM 935 H MET A 60 -20.477 47.963 -4.492 1.00 0.00 H ATOM 936 N PRO A 61 -21.762 48.916 -0.953 1.00 21.06 N ATOM 937 CA PRO A 61 -22.368 50.222 -0.643 1.00 20.73 C ATOM 938 C PRO A 61 -21.275 51.268 -0.499 1.00 20.87 C ATOM 939 O PRO A 61 -20.096 50.910 -0.454 1.00 21.00 O ATOM 940 CB PRO A 61 -23.057 49.984 0.697 1.00 20.39 C ATOM 941 CG PRO A 61 -22.315 48.813 1.312 1.00 20.73 C ATOM 942 CD PRO A 61 -21.848 47.965 0.178 1.00 20.92 C ATOM 943 HA PRO A 61 -23.053 50.579 -1.412 1.00 0.00 H ATOM 944 HD3 PRO A 61 -20.873 47.527 0.394 1.00 0.00 H ATOM 945 HD2 PRO A 61 -22.563 47.170 -0.035 1.00 0.00 H ATOM 946 HG3 PRO A 61 -22.981 48.243 1.960 1.00 0.00 H ATOM 947 HG2 PRO A 61 -21.464 49.169 1.892 1.00 0.00 H ATOM 948 HB2 PRO A 61 -22.977 50.866 1.332 1.00 0.00 H ATOM 949 HB3 PRO A 61 -24.109 49.738 0.550 1.00 0.00 H ATOM 950 N ASN A 62 -21.663 52.547 -0.466 1.00 20.86 N ATOM 951 CA ASN A 62 -20.746 53.677 -0.148 1.00 21.05 C ATOM 952 C ASN A 62 -19.743 54.033 -1.244 1.00 20.90 C ATOM 953 O ASN A 62 -19.756 55.149 -1.775 1.00 20.80 O ATOM 954 CB ASN A 62 -20.054 53.465 1.204 1.00 20.86 C ATOM 955 CG ASN A 62 -21.049 53.153 2.321 1.00 21.18 C ATOM 956 OD1 ASN A 62 -22.103 53.781 2.419 1.00 20.63 O ATOM 957 ND2 ASN A 62 -20.726 52.163 3.146 1.00 20.28 N ATOM 958 HA ASN A 62 -21.394 54.551 -0.083 1.00 0.00 H ATOM 959 HB2 ASN A 62 -19.355 52.633 1.114 1.00 0.00 H ATOM 960 HB3 ASN A 62 -19.507 54.371 1.464 1.00 0.00 H ATOM 961 HD22 ASN A 62 -19.824 51.659 3.026 1.00 0.00 H ATOM 962 HD21 ASN A 62 -21.375 51.892 3.912 1.00 0.00 H ATOM 963 H ASN A 62 -22.659 52.765 -0.674 1.00 0.00 H ATOM 964 N MET A 63 -18.875 53.090 -1.573 1.00 20.99 N ATOM 965 CA MET A 63 -18.041 53.204 -2.751 1.00 21.04 C ATOM 966 C MET A 63 -17.867 51.814 -3.343 1.00 21.06 C ATOM 967 O MET A 63 -17.553 50.870 -2.626 1.00 21.21 O ATOM 968 CB MET A 63 -16.683 53.830 -2.396 1.00 21.12 C ATOM 969 CG MET A 63 -15.758 54.029 -3.592 1.00 21.51 C ATOM 970 SD MET A 63 -14.064 54.383 -3.109 1.00 21.33 S ATOM 971 CE MET A 63 -14.245 56.073 -2.535 1.00 22.86 C ATOM 972 HA MET A 63 -18.513 53.859 -3.484 1.00 0.00 H ATOM 973 HB2 MET A 63 -16.863 54.802 -1.937 1.00 0.00 H ATOM 974 HB3 MET A 63 -16.182 53.179 -1.680 1.00 0.00 H ATOM 975 HG2 MET A 63 -16.132 54.862 -4.188 1.00 0.00 H ATOM 976 HG3 MET A 63 -15.766 53.121 -4.194 1.00 0.00 H ATOM 977 HE1 MET A 63 -14.611 56.695 -3.351 1.00 0.00 H ATOM 978 HE2 MET A 63 -14.955 56.101 -1.709 1.00 0.00 H ATOM 979 HE3 MET A 63 -13.278 56.446 -2.197 1.00 0.00 H ATOM 980 H MET A 63 -18.790 52.246 -0.971 1.00 0.00 H ATOM 981 N ASP A 64 -18.116 51.686 -4.644 1.00 21.00 N ATOM 982 CA ASP A 64 -17.974 50.407 -5.318 1.00 21.52 C ATOM 983 C ASP A 64 -16.514 50.177 -5.749 1.00 21.31 C ATOM 984 O ASP A 64 -15.702 51.097 -5.699 1.00 21.26 O ATOM 985 CB ASP A 64 -18.943 50.307 -6.518 1.00 21.57 C ATOM 986 CG ASP A 64 -18.527 51.192 -7.693 1.00 23.85 C ATOM 987 OD1 ASP A 64 -17.295 51.412 -7.917 1.00 22.49 O ATOM 988 OD2 ASP A 64 -19.440 51.685 -8.392 1.00 27.60 O ATOM 989 HA ASP A 64 -18.239 49.617 -4.616 1.00 0.00 H ATOM 990 HB2 ASP A 64 -18.973 49.271 -6.856 1.00 0.00 H ATOM 991 HB3 ASP A 64 -19.937 50.610 -6.189 1.00 0.00 H ATOM 992 H ASP A 64 -18.418 52.518 -5.189 1.00 0.00 H ATOM 993 N GLY A 65 -16.210 48.954 -6.196 1.00 21.15 N ATOM 994 CA GLY A 65 -14.847 48.544 -6.516 1.00 20.90 C ATOM 995 C GLY A 65 -14.242 49.206 -7.739 1.00 21.22 C ATOM 996 O GLY A 65 -13.018 49.278 -7.867 1.00 21.07 O ATOM 997 HA3 GLY A 65 -14.849 47.467 -6.682 1.00 0.00 H ATOM 998 HA2 GLY A 65 -14.215 48.777 -5.659 1.00 0.00 H ATOM 999 H GLY A 65 -16.979 48.265 -6.321 1.00 0.00 H ATOM 1000 N LEU A 66 -15.085 49.687 -8.653 1.00 21.51 N ATOM 1001 CA LEU A 66 -14.580 50.489 -9.778 1.00 21.68 C ATOM 1002 C LEU A 66 -14.074 51.889 -9.328 1.00 22.09 C ATOM 1003 O LEU A 66 -12.982 52.309 -9.699 1.00 23.13 O ATOM 1004 CB LEU A 66 -15.613 50.607 -10.901 1.00 20.66 C ATOM 1005 CG LEU A 66 -15.049 51.215 -12.199 1.00 21.40 C ATOM 1006 CD1 LEU A 66 -13.865 50.388 -12.734 1.00 19.43 C ATOM 1007 CD2 LEU A 66 -16.124 51.420 -13.286 1.00 20.32 C ATOM 1008 HA LEU A 66 -13.719 49.952 -10.176 1.00 0.00 H ATOM 1009 HB2 LEU A 66 -15.994 49.611 -11.125 1.00 0.00 H ATOM 1010 HB3 LEU A 66 -16.431 51.238 -10.552 1.00 0.00 H ATOM 1011 HG LEU A 66 -14.683 52.208 -11.939 1.00 0.00 H ATOM 1012 HD21 LEU A 66 -16.572 50.459 -13.538 1.00 0.00 H ATOM 1013 HD22 LEU A 66 -16.894 52.094 -12.911 1.00 0.00 H ATOM 1014 HD23 LEU A 66 -15.663 51.851 -14.175 1.00 0.00 H ATOM 1015 HD11 LEU A 66 -13.072 50.366 -11.987 1.00 0.00 H ATOM 1016 HD12 LEU A 66 -14.198 49.371 -12.942 1.00 0.00 H ATOM 1017 HD13 LEU A 66 -13.490 50.844 -13.650 1.00 0.00 H ATOM 1018 H LEU A 66 -16.104 49.494 -8.570 1.00 0.00 H ATOM 1019 N GLU A 67 -14.858 52.595 -8.525 1.00 22.16 N ATOM 1020 CA GLU A 67 -14.432 53.896 -8.023 1.00 22.42 C ATOM 1021 C GLU A 67 -13.197 53.758 -7.140 1.00 22.43 C ATOM 1022 O GLU A 67 -12.380 54.693 -7.029 1.00 22.30 O ATOM 1023 CB GLU A 67 -15.562 54.572 -7.252 1.00 22.25 C ATOM 1024 CG GLU A 67 -16.581 55.227 -8.139 1.00 23.86 C ATOM 1025 CD GLU A 67 -16.036 56.449 -8.826 1.00 26.30 C ATOM 1026 OE1 GLU A 67 -15.749 57.443 -8.119 1.00 27.04 O ATOM 1027 OE2 GLU A 67 -15.881 56.410 -10.073 1.00 27.99 O ATOM 1028 HA GLU A 67 -14.175 54.520 -8.879 1.00 0.00 H ATOM 1029 HB2 GLU A 67 -16.065 53.819 -6.645 1.00 0.00 H ATOM 1030 HB3 GLU A 67 -15.130 55.332 -6.601 1.00 0.00 H ATOM 1031 HG2 GLU A 67 -16.899 54.511 -8.897 1.00 0.00 H ATOM 1032 HG3 GLU A 67 -17.439 55.518 -7.533 1.00 0.00 H ATOM 1033 H GLU A 67 -15.787 52.217 -8.250 1.00 0.00 H ATOM 1034 N LEU A 68 -13.076 52.595 -6.506 1.00 21.92 N ATOM 1035 CA LEU A 68 -11.966 52.312 -5.617 1.00 22.10 C ATOM 1036 C LEU A 68 -10.678 52.075 -6.412 1.00 22.18 C ATOM 1037 O LEU A 68 -9.605 52.603 -6.070 1.00 22.12 O ATOM 1038 CB LEU A 68 -12.288 51.094 -4.755 1.00 21.83 C ATOM 1039 CG LEU A 68 -11.121 50.463 -4.007 1.00 21.61 C ATOM 1040 CD1 LEU A 68 -10.596 51.413 -2.940 1.00 20.72 C ATOM 1041 CD2 LEU A 68 -11.541 49.109 -3.403 1.00 21.17 C ATOM 1042 HA LEU A 68 -11.811 53.176 -4.970 1.00 0.00 H ATOM 1043 HB2 LEU A 68 -13.030 51.398 -4.016 1.00 0.00 H ATOM 1044 HB3 LEU A 68 -12.716 50.331 -5.406 1.00 0.00 H ATOM 1045 HG LEU A 68 -10.310 50.276 -4.711 1.00 0.00 H ATOM 1046 HD21 LEU A 68 -12.367 49.263 -2.709 1.00 0.00 H ATOM 1047 HD22 LEU A 68 -11.856 48.438 -4.202 1.00 0.00 H ATOM 1048 HD23 LEU A 68 -10.696 48.672 -2.872 1.00 0.00 H ATOM 1049 HD11 LEU A 68 -10.258 52.336 -3.411 1.00 0.00 H ATOM 1050 HD12 LEU A 68 -11.393 51.637 -2.231 1.00 0.00 H ATOM 1051 HD13 LEU A 68 -9.763 50.944 -2.416 1.00 0.00 H ATOM 1052 H LEU A 68 -13.802 51.864 -6.653 1.00 0.00 H ATOM 1053 N LEU A 69 -10.800 51.269 -7.464 1.00 21.83 N ATOM 1054 CA LEU A 69 -9.731 51.074 -8.411 1.00 21.87 C ATOM 1055 C LEU A 69 -9.227 52.414 -8.968 1.00 21.84 C ATOM 1056 O LEU A 69 -8.016 52.645 -9.016 1.00 21.35 O ATOM 1057 CB LEU A 69 -10.195 50.155 -9.540 1.00 21.82 C ATOM 1058 CG LEU A 69 -9.232 49.916 -10.698 1.00 22.43 C ATOM 1059 CD1 LEU A 69 -7.885 49.312 -10.182 1.00 22.31 C ATOM 1060 CD2 LEU A 69 -9.885 49.038 -11.761 1.00 19.62 C ATOM 1061 HA LEU A 69 -8.896 50.601 -7.894 1.00 0.00 H ATOM 1062 HB2 LEU A 69 -10.421 49.185 -9.098 1.00 0.00 H ATOM 1063 HB3 LEU A 69 -11.106 50.585 -9.957 1.00 0.00 H ATOM 1064 HG LEU A 69 -8.997 50.873 -11.164 1.00 0.00 H ATOM 1065 HD21 LEU A 69 -10.157 48.078 -11.321 1.00 0.00 H ATOM 1066 HD22 LEU A 69 -10.780 49.532 -12.139 1.00 0.00 H ATOM 1067 HD23 LEU A 69 -9.183 48.878 -12.580 1.00 0.00 H ATOM 1068 HD11 LEU A 69 -7.424 50.004 -9.477 1.00 0.00 H ATOM 1069 HD12 LEU A 69 -8.081 48.362 -9.685 1.00 0.00 H ATOM 1070 HD13 LEU A 69 -7.214 49.150 -11.026 1.00 0.00 H ATOM 1071 H LEU A 69 -11.697 50.763 -7.608 1.00 0.00 H ATOM 1072 N LYS A 70 -10.159 53.295 -9.356 1.00 21.80 N ATOM 1073 CA LYS A 70 -9.802 54.592 -9.976 1.00 22.26 C ATOM 1074 C LYS A 70 -9.059 55.520 -9.009 1.00 21.82 C ATOM 1075 O LYS A 70 -8.051 56.132 -9.371 1.00 22.02 O ATOM 1076 CB LYS A 70 -11.040 55.296 -10.546 1.00 22.64 C ATOM 1077 CG LYS A 70 -11.691 54.583 -11.735 1.00 22.90 C ATOM 1078 CD LYS A 70 -13.043 55.185 -12.036 1.00 24.91 C ATOM 1079 CE LYS A 70 -13.591 54.682 -13.381 1.00 27.86 C ATOM 1080 NZ LYS A 70 -15.117 54.816 -13.484 1.00 29.45 N ATOM 1081 HA LYS A 70 -9.121 54.364 -10.796 1.00 0.00 H ATOM 1082 HB2 LYS A 70 -11.781 55.377 -9.751 1.00 0.00 H ATOM 1083 HB3 LYS A 70 -10.745 56.294 -10.869 1.00 0.00 H ATOM 1084 HG2 LYS A 70 -11.049 54.685 -12.610 1.00 0.00 H ATOM 1085 HG3 LYS A 70 -11.813 53.526 -11.497 1.00 0.00 H ATOM 1086 HD2 LYS A 70 -13.739 54.910 -11.243 1.00 0.00 H ATOM 1087 HD3 LYS A 70 -12.948 56.270 -12.074 1.00 0.00 H ATOM 1088 HE2 LYS A 70 -13.324 53.632 -13.496 1.00 0.00 H ATOM 1089 HE3 LYS A 70 -13.134 55.262 -14.183 1.00 0.00 H ATOM 1090 HZ1 LYS A 70 -15.564 54.259 -12.728 1.00 0.00 H ATOM 1091 HZ2 LYS A 70 -15.383 55.816 -13.384 1.00 0.00 H ATOM 1092 HZ3 LYS A 70 -15.433 54.463 -14.410 1.00 0.00 H ATOM 1093 H LYS A 70 -11.163 53.061 -9.218 1.00 0.00 H ATOM 1094 N THR A 71 -9.561 55.598 -7.782 1.00 21.31 N ATOM 1095 CA THR A 71 -8.892 56.298 -6.683 1.00 20.83 C ATOM 1096 C THR A 71 -7.472 55.761 -6.373 1.00 20.95 C ATOM 1097 O THR A 71 -6.547 56.543 -6.180 1.00 21.35 O ATOM 1098 CB THR A 71 -9.753 56.239 -5.412 1.00 21.04 C ATOM 1099 OG1 THR A 71 -11.119 56.546 -5.749 1.00 21.70 O ATOM 1100 CG2 THR A 71 -9.251 57.214 -4.371 1.00 21.13 C ATOM 1101 HA THR A 71 -8.772 57.329 -7.014 1.00 0.00 H ATOM 1102 HB THR A 71 -9.690 55.234 -4.994 1.00 0.00 H ATOM 1103 HG1 THR A 71 -11.452 55.885 -6.407 1.00 0.00 H ATOM 1104 HG23 THR A 71 -8.217 56.976 -4.121 1.00 0.00 H ATOM 1105 HG21 THR A 71 -9.306 58.228 -4.768 1.00 0.00 H ATOM 1106 HG22 THR A 71 -9.869 57.139 -3.476 1.00 0.00 H ATOM 1107 H THR A 71 -10.475 55.139 -7.592 1.00 0.00 H ATOM 1108 N ILE A 72 -7.297 54.440 -6.327 1.00 20.52 N ATOM 1109 CA ILE A 72 -5.967 53.877 -6.082 1.00 20.33 C ATOM 1110 C ILE A 72 -5.000 54.241 -7.212 1.00 20.29 C ATOM 1111 O ILE A 72 -3.858 54.602 -6.970 1.00 20.48 O ATOM 1112 CB ILE A 72 -6.008 52.330 -5.862 1.00 20.77 C ATOM 1113 CG1 ILE A 72 -6.671 51.992 -4.511 1.00 20.89 C ATOM 1114 CG2 ILE A 72 -4.589 51.718 -5.949 1.00 19.78 C ATOM 1115 CD1 ILE A 72 -7.146 50.523 -4.394 1.00 22.59 C ATOM 1116 HA ILE A 72 -5.601 54.322 -5.157 1.00 0.00 H ATOM 1117 HB ILE A 72 -6.609 51.890 -6.658 1.00 0.00 H ATOM 1118 HG12 ILE A 72 -5.949 52.184 -3.717 1.00 0.00 H ATOM 1119 HG13 ILE A 72 -7.535 52.644 -4.380 1.00 0.00 H ATOM 1120 HD11 ILE A 72 -7.879 50.316 -5.174 1.00 0.00 H ATOM 1121 HD12 ILE A 72 -6.292 49.856 -4.510 1.00 0.00 H ATOM 1122 HD13 ILE A 72 -7.601 50.366 -3.416 1.00 0.00 H ATOM 1123 HG21 ILE A 72 -4.167 51.920 -6.934 1.00 0.00 H ATOM 1124 HG22 ILE A 72 -3.955 52.163 -5.182 1.00 0.00 H ATOM 1125 HG23 ILE A 72 -4.649 50.641 -5.792 1.00 0.00 H ATOM 1126 H ILE A 72 -8.109 53.806 -6.466 1.00 0.00 H ATOM 1127 N ARG A 73 -5.486 54.178 -8.445 1.00 20.67 N ATOM 1128 CA ARG A 73 -4.667 54.442 -9.618 1.00 19.97 C ATOM 1129 C ARG A 73 -4.323 55.929 -9.725 1.00 20.00 C ATOM 1130 O ARG A 73 -3.299 56.286 -10.290 1.00 19.39 O ATOM 1131 CB ARG A 73 -5.377 53.944 -10.894 1.00 19.65 C ATOM 1132 CG ARG A 73 -5.415 52.431 -11.037 1.00 19.23 C ATOM 1133 CD ARG A 73 -4.063 51.845 -11.497 1.00 18.58 C ATOM 1134 NE ARG A 73 -4.060 50.375 -11.478 1.00 18.52 N ATOM 1135 CZ ARG A 73 -3.671 49.635 -10.442 1.00 17.09 C ATOM 1136 NH1 ARG A 73 -3.247 50.217 -9.325 1.00 17.76 N ATOM 1137 NH2 ARG A 73 -3.707 48.314 -10.523 1.00 15.46 N ATOM 1138 HA ARG A 73 -3.731 53.894 -9.512 1.00 0.00 H ATOM 1139 HB2 ARG A 73 -6.403 54.312 -10.880 1.00 0.00 H ATOM 1140 HB3 ARG A 73 -4.856 54.356 -11.758 1.00 0.00 H ATOM 1141 HG2 ARG A 73 -5.675 51.995 -10.072 1.00 0.00 H ATOM 1142 HG3 ARG A 73 -6.178 52.168 -11.770 1.00 0.00 H ATOM 1143 HD2 ARG A 73 -3.279 52.207 -10.832 1.00 0.00 H ATOM 1144 HD3 ARG A 73 -3.861 52.184 -12.513 1.00 0.00 H ATOM 1145 HE ARG A 73 -4.384 49.879 -12.333 1.00 0.00 H ATOM 1146 HH12 ARG A 73 -2.944 49.635 -8.518 1.00 0.00 H ATOM 1147 HH11 ARG A 73 -3.218 51.254 -9.258 1.00 0.00 H ATOM 1148 HH22 ARG A 73 -3.403 47.735 -9.714 1.00 0.00 H ATOM 1149 HH21 ARG A 73 -4.039 47.855 -11.395 1.00 0.00 H ATOM 1150 H ARG A 73 -6.488 53.931 -8.578 1.00 0.00 H ATOM 1151 N ALA A 74 -5.178 56.779 -9.140 1.00 20.20 N ATOM 1152 CA ALA A 74 -5.015 58.245 -9.186 1.00 20.43 C ATOM 1153 C ALA A 74 -4.112 58.778 -8.073 1.00 20.87 C ATOM 1154 O ALA A 74 -3.669 59.937 -8.119 1.00 20.57 O ATOM 1155 CB ALA A 74 -6.382 58.927 -9.119 1.00 20.32 C ATOM 1156 HA ALA A 74 -4.527 58.479 -10.132 1.00 0.00 H ATOM 1157 HB1 ALA A 74 -6.988 58.607 -9.966 1.00 0.00 H ATOM 1158 HB2 ALA A 74 -6.879 58.650 -8.189 1.00 0.00 H ATOM 1159 HB3 ALA A 74 -6.249 60.008 -9.154 1.00 0.00 H ATOM 1160 H ALA A 74 -5.995 56.387 -8.630 1.00 0.00 H ATOM 1161 N ASP A 75 -3.866 57.936 -7.065 1.00 21.28 N ATOM 1162 CA ASP A 75 -3.034 58.304 -5.924 1.00 22.06 C ATOM 1163 C ASP A 75 -1.555 57.926 -6.127 1.00 22.60 C ATOM 1164 O ASP A 75 -1.208 56.748 -6.084 1.00 23.39 O ATOM 1165 CB ASP A 75 -3.577 57.643 -4.652 1.00 21.82 C ATOM 1166 CG ASP A 75 -3.019 58.279 -3.365 1.00 21.83 C ATOM 1167 OD1 ASP A 75 -1.837 58.666 -3.356 1.00 20.31 O ATOM 1168 OD2 ASP A 75 -3.770 58.371 -2.356 1.00 22.67 O ATOM 1169 HA ASP A 75 -3.076 59.389 -5.826 1.00 0.00 H ATOM 1170 HB2 ASP A 75 -4.663 57.738 -4.646 1.00 0.00 H ATOM 1171 HB3 ASP A 75 -3.306 56.587 -4.665 1.00 0.00 H ATOM 1172 H ASP A 75 -4.283 56.984 -7.095 1.00 0.00 H ATOM 1173 N SER A 76 -0.689 58.927 -6.284 1.00 22.65 N ATOM 1174 CA SER A 76 0.744 58.681 -6.516 1.00 23.34 C ATOM 1175 C SER A 76 1.436 57.808 -5.443 1.00 23.95 C ATOM 1176 O SER A 76 2.465 57.176 -5.725 1.00 24.26 O ATOM 1177 CB SER A 76 1.515 59.997 -6.742 1.00 23.17 C ATOM 1178 OG SER A 76 1.521 60.809 -5.582 1.00 23.15 O ATOM 1179 HA SER A 76 0.778 58.089 -7.431 1.00 0.00 H ATOM 1180 HB2 SER A 76 1.043 60.547 -7.556 1.00 0.00 H ATOM 1181 HB3 SER A 76 2.544 59.761 -7.013 1.00 0.00 H ATOM 1182 HG SER A 76 2.024 61.642 -5.766 1.00 0.00 H ATOM 1183 H SER A 76 -1.034 59.907 -6.242 1.00 0.00 H ATOM 1184 N ALA A 77 0.868 57.759 -4.232 1.00 24.05 N ATOM 1185 CA ALA A 77 1.365 56.845 -3.193 1.00 24.31 C ATOM 1186 C ALA A 77 0.932 55.365 -3.394 1.00 24.69 C ATOM 1187 O ALA A 77 1.506 54.461 -2.770 1.00 24.75 O ATOM 1188 CB ALA A 77 0.956 57.339 -1.811 1.00 24.11 C ATOM 1189 HA ALA A 77 2.451 56.852 -3.280 1.00 0.00 H ATOM 1190 HB1 ALA A 77 1.375 58.331 -1.642 1.00 0.00 H ATOM 1191 HB2 ALA A 77 -0.131 57.388 -1.751 1.00 0.00 H ATOM 1192 HB3 ALA A 77 1.332 56.650 -1.054 1.00 0.00 H ATOM 1193 H ALA A 77 0.060 58.379 -4.022 1.00 0.00 H ATOM 1194 N MET A 78 -0.099 55.129 -4.229 1.00 24.49 N ATOM 1195 CA MET A 78 -0.669 53.771 -4.384 1.00 24.52 C ATOM 1196 C MET A 78 -0.908 53.408 -5.834 1.00 23.67 C ATOM 1197 O MET A 78 -1.477 52.340 -6.115 1.00 22.80 O ATOM 1198 CB MET A 78 -2.084 53.681 -3.782 1.00 24.89 C ATOM 1199 CG MET A 78 -2.181 53.787 -2.276 1.00 27.46 C ATOM 1200 SD MET A 78 -3.896 53.740 -1.695 1.00 29.61 S ATOM 1201 CE MET A 78 -4.609 55.078 -2.650 1.00 29.34 C ATOM 1202 HA MET A 78 0.058 53.120 -3.898 1.00 0.00 H ATOM 1203 HB2 MET A 78 -2.679 54.487 -4.211 1.00 0.00 H ATOM 1204 HB3 MET A 78 -2.509 52.721 -4.076 1.00 0.00 H ATOM 1205 HG2 MET A 78 -1.729 54.727 -1.960 1.00 0.00 H ATOM 1206 HG3 MET A 78 -1.636 52.955 -1.830 1.00 0.00 H ATOM 1207 HE1 MET A 78 -4.092 56.008 -2.413 1.00 0.00 H ATOM 1208 HE2 MET A 78 -4.501 54.862 -3.713 1.00 0.00 H ATOM 1209 HE3 MET A 78 -5.666 55.176 -2.403 1.00 0.00 H ATOM 1210 H MET A 78 -0.503 55.916 -4.776 1.00 0.00 H ATOM 1211 N SER A 79 -0.451 54.233 -6.774 1.00 23.16 N ATOM 1212 CA SER A 79 -0.855 54.073 -8.196 1.00 23.13 C ATOM 1213 C SER A 79 -0.433 52.809 -8.944 1.00 23.13 C ATOM 1214 O SER A 79 -1.035 52.492 -9.969 1.00 23.24 O ATOM 1215 CB SER A 79 -0.440 55.321 -8.969 1.00 23.16 C ATOM 1216 OG SER A 79 0.960 55.356 -9.166 1.00 23.08 O ATOM 1217 HA SER A 79 -1.936 53.943 -8.143 1.00 0.00 H ATOM 1218 HB2 SER A 79 -0.743 56.205 -8.408 1.00 0.00 H ATOM 1219 HB3 SER A 79 -0.936 55.321 -9.939 1.00 0.00 H ATOM 1220 HG SER A 79 1.201 56.174 -9.669 1.00 0.00 H ATOM 1221 H SER A 79 0.198 55.001 -6.510 1.00 0.00 H ATOM 1222 N ALA A 80 0.588 52.087 -8.471 1.00 23.39 N ATOM 1223 CA ALA A 80 1.041 50.841 -9.113 1.00 23.18 C ATOM 1224 C ALA A 80 0.691 49.575 -8.304 1.00 23.29 C ATOM 1225 O ALA A 80 1.094 48.458 -8.676 1.00 23.77 O ATOM 1226 CB ALA A 80 2.540 50.899 -9.366 1.00 23.16 C ATOM 1227 HA ALA A 80 0.504 50.766 -10.059 1.00 0.00 H ATOM 1228 HB1 ALA A 80 2.764 51.742 -10.020 1.00 0.00 H ATOM 1229 HB2 ALA A 80 3.063 51.024 -8.418 1.00 0.00 H ATOM 1230 HB3 ALA A 80 2.863 49.973 -9.841 1.00 0.00 H ATOM 1231 H ALA A 80 1.081 52.418 -7.617 1.00 0.00 H ATOM 1232 N LEU A 81 -0.041 49.743 -7.206 1.00 22.63 N ATOM 1233 CA LEU A 81 -0.422 48.612 -6.368 1.00 22.86 C ATOM 1234 C LEU A 81 -1.363 47.655 -7.110 1.00 22.37 C ATOM 1235 O LEU A 81 -2.316 48.094 -7.725 1.00 22.10 O ATOM 1236 CB LEU A 81 -1.076 49.100 -5.074 1.00 23.03 C ATOM 1237 CG LEU A 81 -0.134 49.676 -4.014 1.00 24.46 C ATOM 1238 CD1 LEU A 81 -0.856 49.840 -2.685 1.00 24.05 C ATOM 1239 CD2 LEU A 81 1.094 48.793 -3.850 1.00 25.94 C ATOM 1240 HA LEU A 81 0.487 48.064 -6.120 1.00 0.00 H ATOM 1241 HB2 LEU A 81 -1.795 49.876 -5.337 1.00 0.00 H ATOM 1242 HB3 LEU A 81 -1.602 48.256 -4.628 1.00 0.00 H ATOM 1243 HG LEU A 81 0.194 50.660 -4.349 1.00 0.00 H ATOM 1244 HD21 LEU A 81 0.784 47.795 -3.542 1.00 0.00 H ATOM 1245 HD22 LEU A 81 1.626 48.732 -4.800 1.00 0.00 H ATOM 1246 HD23 LEU A 81 1.749 49.222 -3.092 1.00 0.00 H ATOM 1247 HD11 LEU A 81 -1.700 50.518 -2.813 1.00 0.00 H ATOM 1248 HD12 LEU A 81 -1.216 48.869 -2.346 1.00 0.00 H ATOM 1249 HD13 LEU A 81 -0.167 50.251 -1.947 1.00 0.00 H ATOM 1250 H LEU A 81 -0.348 50.700 -6.940 1.00 0.00 H ATOM 1251 N PRO A 82 -1.073 46.339 -7.061 1.00 22.28 N ATOM 1252 CA PRO A 82 -1.943 45.354 -7.705 1.00 22.21 C ATOM 1253 C PRO A 82 -3.369 45.415 -7.149 1.00 22.16 C ATOM 1254 O PRO A 82 -3.556 45.393 -5.926 1.00 22.30 O ATOM 1255 CB PRO A 82 -1.290 44.018 -7.338 1.00 22.09 C ATOM 1256 CG PRO A 82 0.129 44.367 -6.986 1.00 21.24 C ATOM 1257 CD PRO A 82 0.081 45.707 -6.391 1.00 21.85 C ATOM 1258 HA PRO A 82 -2.036 45.518 -8.779 1.00 0.00 H ATOM 1259 HD3 PRO A 82 -0.076 45.650 -5.314 1.00 0.00 H ATOM 1260 HD2 PRO A 82 1.000 46.257 -6.594 1.00 0.00 H ATOM 1261 HG3 PRO A 82 0.751 44.372 -7.881 1.00 0.00 H ATOM 1262 HG2 PRO A 82 0.530 43.649 -6.271 1.00 0.00 H ATOM 1263 HB2 PRO A 82 -1.797 43.564 -6.486 1.00 0.00 H ATOM 1264 HB3 PRO A 82 -1.318 43.331 -8.184 1.00 0.00 H ATOM 1265 N VAL A 83 -4.348 45.540 -8.045 1.00 21.62 N ATOM 1266 CA VAL A 83 -5.760 45.482 -7.684 1.00 21.16 C ATOM 1267 C VAL A 83 -6.445 44.388 -8.518 1.00 21.50 C ATOM 1268 O VAL A 83 -6.748 44.590 -9.702 1.00 21.61 O ATOM 1269 CB VAL A 83 -6.474 46.847 -7.918 1.00 21.13 C ATOM 1270 CG1 VAL A 83 -7.956 46.786 -7.478 1.00 20.84 C ATOM 1271 CG2 VAL A 83 -5.744 47.979 -7.195 1.00 20.78 C ATOM 1272 HA VAL A 83 -5.832 45.252 -6.621 1.00 0.00 H ATOM 1273 HB VAL A 83 -6.448 47.053 -8.988 1.00 0.00 H ATOM 1274 HG11 VAL A 83 -8.473 46.019 -8.054 1.00 0.00 H ATOM 1275 HG12 VAL A 83 -8.009 46.543 -6.417 1.00 0.00 H ATOM 1276 HG13 VAL A 83 -8.426 47.754 -7.654 1.00 0.00 H ATOM 1277 HG21 VAL A 83 -5.726 47.773 -6.125 1.00 0.00 H ATOM 1278 HG22 VAL A 83 -4.723 48.049 -7.570 1.00 0.00 H ATOM 1279 HG23 VAL A 83 -6.265 48.919 -7.376 1.00 0.00 H ATOM 1280 H VAL A 83 -4.094 45.685 -9.043 1.00 0.00 H ATOM 1281 N LEU A 84 -6.655 43.223 -7.909 1.00 21.22 N ATOM 1282 CA LEU A 84 -7.352 42.135 -8.573 1.00 20.99 C ATOM 1283 C LEU A 84 -8.854 42.180 -8.285 1.00 20.92 C ATOM 1284 O LEU A 84 -9.267 42.106 -7.142 1.00 21.34 O ATOM 1285 CB LEU A 84 -6.762 40.797 -8.147 1.00 21.00 C ATOM 1286 CG LEU A 84 -7.436 39.502 -8.639 1.00 21.08 C ATOM 1287 CD1 LEU A 84 -7.333 39.393 -10.155 1.00 19.85 C ATOM 1288 CD2 LEU A 84 -6.794 38.287 -7.964 1.00 18.18 C ATOM 1289 HA LEU A 84 -7.219 42.251 -9.649 1.00 0.00 H ATOM 1290 HB2 LEU A 84 -5.730 40.775 -8.497 1.00 0.00 H ATOM 1291 HB3 LEU A 84 -6.775 40.772 -7.057 1.00 0.00 H ATOM 1292 HG LEU A 84 -8.492 39.530 -8.371 1.00 0.00 H ATOM 1293 HD21 LEU A 84 -5.733 38.255 -8.210 1.00 0.00 H ATOM 1294 HD22 LEU A 84 -6.916 38.367 -6.884 1.00 0.00 H ATOM 1295 HD23 LEU A 84 -7.278 37.377 -8.319 1.00 0.00 H ATOM 1296 HD11 LEU A 84 -7.829 40.248 -10.614 1.00 0.00 H ATOM 1297 HD12 LEU A 84 -6.283 39.380 -10.447 1.00 0.00 H ATOM 1298 HD13 LEU A 84 -7.814 38.472 -10.485 1.00 0.00 H ATOM 1299 H LEU A 84 -6.312 43.089 -6.936 1.00 0.00 H ATOM 1300 N MET A 85 -9.659 42.327 -9.332 1.00 20.89 N ATOM 1301 CA MET A 85 -11.106 42.314 -9.193 1.00 20.90 C ATOM 1302 C MET A 85 -11.591 40.888 -9.089 1.00 21.15 C ATOM 1303 O MET A 85 -11.176 40.021 -9.869 1.00 21.42 O ATOM 1304 CB MET A 85 -11.795 42.993 -10.387 1.00 21.06 C ATOM 1305 CG MET A 85 -11.299 44.382 -10.713 1.00 21.64 C ATOM 1306 SD MET A 85 -11.355 45.547 -9.352 1.00 23.50 S ATOM 1307 CE MET A 85 -13.141 45.841 -9.238 1.00 25.89 C ATOM 1308 HA MET A 85 -11.360 42.869 -8.290 1.00 0.00 H ATOM 1309 HB2 MET A 85 -11.643 42.366 -11.265 1.00 0.00 H ATOM 1310 HB3 MET A 85 -12.861 43.058 -10.169 1.00 0.00 H ATOM 1311 HG2 MET A 85 -11.911 44.778 -11.523 1.00 0.00 H ATOM 1312 HG3 MET A 85 -10.265 44.302 -11.047 1.00 0.00 H ATOM 1313 HE1 MET A 85 -13.501 46.251 -10.181 1.00 0.00 H ATOM 1314 HE2 MET A 85 -13.650 44.900 -9.031 1.00 0.00 H ATOM 1315 HE3 MET A 85 -13.341 46.548 -8.433 1.00 0.00 H ATOM 1316 H MET A 85 -9.243 42.455 -10.276 1.00 0.00 H ATOM 1317 N VAL A 86 -12.468 40.619 -8.143 1.00 21.09 N ATOM 1318 CA VAL A 86 -13.080 39.315 -7.881 1.00 20.40 C ATOM 1319 C VAL A 86 -14.514 39.683 -7.544 1.00 21.06 C ATOM 1320 O VAL A 86 -14.848 40.120 -6.431 1.00 21.74 O ATOM 1321 CB VAL A 86 -12.378 38.579 -6.721 1.00 20.53 C ATOM 1322 CG1 VAL A 86 -13.172 37.347 -6.330 1.00 18.18 C ATOM 1323 CG2 VAL A 86 -10.967 38.200 -7.117 1.00 19.88 C ATOM 1324 HA VAL A 86 -13.005 38.623 -8.720 1.00 0.00 H ATOM 1325 HB VAL A 86 -12.325 39.246 -5.860 1.00 0.00 H ATOM 1326 HG11 VAL A 86 -14.171 37.646 -6.013 1.00 0.00 H ATOM 1327 HG12 VAL A 86 -13.247 36.677 -7.187 1.00 0.00 H ATOM 1328 HG13 VAL A 86 -12.667 36.836 -5.510 1.00 0.00 H ATOM 1329 HG21 VAL A 86 -10.999 37.545 -7.988 1.00 0.00 H ATOM 1330 HG22 VAL A 86 -10.404 39.102 -7.360 1.00 0.00 H ATOM 1331 HG23 VAL A 86 -10.485 37.682 -6.288 1.00 0.00 H ATOM 1332 H VAL A 86 -12.752 41.406 -7.525 1.00 0.00 H ATOM 1333 N THR A 87 -15.349 39.469 -8.575 1.00 20.36 N ATOM 1334 CA THR A 87 -16.703 39.931 -8.512 1.00 20.06 C ATOM 1335 C THR A 87 -17.751 39.071 -9.294 1.00 20.73 C ATOM 1336 O THR A 87 -17.400 38.360 -10.235 1.00 20.88 O ATOM 1337 CB THR A 87 -16.693 41.376 -9.111 1.00 20.01 C ATOM 1338 OG1 THR A 87 -18.016 41.913 -9.085 1.00 19.54 O ATOM 1339 CG2 THR A 87 -16.166 41.360 -10.545 1.00 17.79 C ATOM 1340 HA THR A 87 -17.020 39.873 -7.471 1.00 0.00 H ATOM 1341 HB THR A 87 -16.034 42.002 -8.509 1.00 0.00 H ATOM 1342 HG1 THR A 87 -18.007 42.827 -9.464 1.00 0.00 H ATOM 1343 HG23 THR A 87 -15.157 40.949 -10.555 1.00 0.00 H ATOM 1344 HG21 THR A 87 -16.817 40.742 -11.163 1.00 0.00 H ATOM 1345 HG22 THR A 87 -16.149 42.377 -10.936 1.00 0.00 H ATOM 1346 H THR A 87 -15.011 38.967 -9.421 1.00 0.00 H ATOM 1347 N ALA A 88 -19.014 39.183 -8.886 1.00 20.45 N ATOM 1348 CA ALA A 88 -20.122 38.630 -9.667 1.00 20.41 C ATOM 1349 C ALA A 88 -20.382 39.403 -10.972 1.00 20.42 C ATOM 1350 O ALA A 88 -21.097 38.921 -11.828 1.00 21.22 O ATOM 1351 CB ALA A 88 -21.405 38.569 -8.815 1.00 19.28 C ATOM 1352 HA ALA A 88 -19.828 37.620 -9.953 1.00 0.00 H ATOM 1353 HB1 ALA A 88 -21.232 37.935 -7.946 1.00 0.00 H ATOM 1354 HB2 ALA A 88 -21.669 39.574 -8.486 1.00 0.00 H ATOM 1355 HB3 ALA A 88 -22.217 38.155 -9.413 1.00 0.00 H ATOM 1356 H ALA A 88 -19.218 39.674 -7.992 1.00 0.00 H ATOM 1357 N GLU A 89 -19.844 40.615 -11.093 1.00 20.66 N ATOM 1358 CA GLU A 89 -20.116 41.484 -12.265 1.00 21.19 C ATOM 1359 C GLU A 89 -19.520 40.937 -13.582 1.00 20.92 C ATOM 1360 O GLU A 89 -18.306 40.975 -13.794 1.00 21.04 O ATOM 1361 CB GLU A 89 -19.616 42.917 -12.001 1.00 21.16 C ATOM 1362 CG GLU A 89 -19.847 43.891 -13.164 1.00 22.70 C ATOM 1363 CD GLU A 89 -21.326 44.213 -13.397 1.00 23.33 C ATOM 1364 OE1 GLU A 89 -21.802 43.981 -14.517 1.00 22.71 O ATOM 1365 OE2 GLU A 89 -22.005 44.706 -12.455 1.00 24.13 O ATOM 1366 HA GLU A 89 -21.198 41.495 -12.397 1.00 0.00 H ATOM 1367 HB2 GLU A 89 -20.135 43.304 -11.124 1.00 0.00 H ATOM 1368 HB3 GLU A 89 -18.546 42.874 -11.799 1.00 0.00 H ATOM 1369 HG2 GLU A 89 -19.320 44.820 -12.948 1.00 0.00 H ATOM 1370 HG3 GLU A 89 -19.441 43.448 -14.073 1.00 0.00 H ATOM 1371 H GLU A 89 -19.214 40.964 -10.343 1.00 0.00 H ATOM 1372 N ALA A 90 -20.414 40.390 -14.464 1.00 20.81 N ATOM 1373 CA ALA A 90 -19.961 39.736 -15.697 1.00 21.38 C ATOM 1374 C ALA A 90 -20.385 40.414 -17.016 1.00 21.42 C ATOM 1375 O ALA A 90 -20.152 39.853 -18.080 1.00 21.18 O ATOM 1376 CB ALA A 90 -20.441 38.291 -15.698 1.00 20.97 C ATOM 1377 HA ALA A 90 -18.874 39.813 -15.678 1.00 0.00 H ATOM 1378 HB1 ALA A 90 -20.028 37.772 -14.833 1.00 0.00 H ATOM 1379 HB2 ALA A 90 -21.530 38.271 -15.650 1.00 0.00 H ATOM 1380 HB3 ALA A 90 -20.108 37.799 -16.612 1.00 0.00 H ATOM 1381 H ALA A 90 -21.432 40.439 -14.256 1.00 0.00 H ATOM 1382 N LYS A 91 -21.010 41.569 -16.922 1.00 21.53 N ATOM 1383 CA LYS A 91 -21.338 42.272 -18.141 1.00 22.09 C ATOM 1384 C LYS A 91 -20.070 42.784 -18.803 1.00 22.38 C ATOM 1385 O LYS A 91 -19.224 43.424 -18.167 1.00 22.01 O ATOM 1386 CB LYS A 91 -22.319 43.413 -17.831 1.00 22.16 C ATOM 1387 CG LYS A 91 -22.549 44.392 -18.980 1.00 23.15 C ATOM 1388 CD LYS A 91 -23.467 45.521 -18.581 1.00 24.14 C ATOM 1389 CE LYS A 91 -23.789 46.419 -19.761 1.00 24.66 C ATOM 1390 NZ LYS A 91 -25.099 47.109 -19.580 1.00 25.61 N ATOM 1391 HA LYS A 91 -21.823 41.591 -18.841 1.00 0.00 H ATOM 1392 HB2 LYS A 91 -23.279 42.971 -17.564 1.00 0.00 H ATOM 1393 HB3 LYS A 91 -21.930 43.973 -16.981 1.00 0.00 H ATOM 1394 HG2 LYS A 91 -21.589 44.809 -19.286 1.00 0.00 H ATOM 1395 HG3 LYS A 91 -22.994 43.855 -19.818 1.00 0.00 H ATOM 1396 HD2 LYS A 91 -24.395 45.103 -18.190 1.00 0.00 H ATOM 1397 HD3 LYS A 91 -22.983 46.115 -17.806 1.00 0.00 H ATOM 1398 HE2 LYS A 91 -23.829 45.814 -20.667 1.00 0.00 H ATOM 1399 HE3 LYS A 91 -23.004 47.169 -19.861 1.00 0.00 H ATOM 1400 HZ1 LYS A 91 -25.854 46.399 -19.490 1.00 0.00 H ATOM 1401 HZ2 LYS A 91 -25.066 47.693 -18.720 1.00 0.00 H ATOM 1402 HZ3 LYS A 91 -25.287 47.714 -20.404 1.00 0.00 H ATOM 1403 H LYS A 91 -21.261 41.965 -15.994 1.00 0.00 H ATOM 1404 N LYS A 92 -19.923 42.488 -20.095 1.00 23.08 N ATOM 1405 CA LYS A 92 -18.732 42.845 -20.874 1.00 23.64 C ATOM 1406 C LYS A 92 -18.292 44.329 -20.794 1.00 23.92 C ATOM 1407 O LYS A 92 -17.114 44.626 -20.551 1.00 23.89 O ATOM 1408 CB LYS A 92 -18.902 42.409 -22.328 1.00 23.69 C ATOM 1409 CG LYS A 92 -18.605 40.909 -22.536 1.00 25.53 C ATOM 1410 CD LYS A 92 -19.838 40.116 -22.965 1.00 25.17 C ATOM 1411 CE LYS A 92 -19.681 39.713 -24.427 1.00 26.17 C ATOM 1412 NZ LYS A 92 -20.540 38.566 -24.816 1.00 25.50 N ATOM 1413 HA LYS A 92 -17.916 42.298 -20.402 1.00 0.00 H ATOM 1414 HB2 LYS A 92 -19.929 42.608 -22.635 1.00 0.00 H ATOM 1415 HB3 LYS A 92 -18.220 42.990 -22.949 1.00 0.00 H ATOM 1416 HG2 LYS A 92 -17.840 40.808 -23.306 1.00 0.00 H ATOM 1417 HG3 LYS A 92 -18.232 40.494 -21.599 1.00 0.00 H ATOM 1418 HD2 LYS A 92 -19.933 39.223 -22.347 1.00 0.00 H ATOM 1419 HD3 LYS A 92 -20.729 40.733 -22.849 1.00 0.00 H ATOM 1420 HE2 LYS A 92 -18.640 39.441 -24.601 1.00 0.00 H ATOM 1421 HE3 LYS A 92 -19.941 40.568 -25.052 1.00 0.00 H ATOM 1422 HZ1 LYS A 92 -20.296 37.739 -24.235 1.00 0.00 H ATOM 1423 HZ2 LYS A 92 -21.538 38.815 -24.665 1.00 0.00 H ATOM 1424 HZ3 LYS A 92 -20.385 38.343 -25.820 1.00 0.00 H ATOM 1425 H LYS A 92 -20.692 41.978 -20.575 1.00 0.00 H ATOM 1426 N GLU A 93 -19.234 45.248 -20.978 1.00 23.95 N ATOM 1427 CA GLU A 93 -18.919 46.675 -20.935 1.00 23.90 C ATOM 1428 C GLU A 93 -18.280 47.100 -19.608 1.00 23.69 C ATOM 1429 O GLU A 93 -17.564 48.119 -19.541 1.00 23.53 O ATOM 1430 CB GLU A 93 -20.170 47.512 -21.209 1.00 24.01 C ATOM 1431 CG GLU A 93 -20.598 47.515 -22.665 1.00 24.80 C ATOM 1432 CD GLU A 93 -21.463 46.291 -23.045 1.00 26.48 C ATOM 1433 OE1 GLU A 93 -21.672 45.391 -22.175 1.00 24.36 O ATOM 1434 OE2 GLU A 93 -21.947 46.247 -24.223 1.00 27.69 O ATOM 1435 HA GLU A 93 -18.184 46.856 -21.719 1.00 0.00 H ATOM 1436 HB2 GLU A 93 -20.989 47.113 -20.611 1.00 0.00 H ATOM 1437 HB3 GLU A 93 -19.969 48.540 -20.907 1.00 0.00 H ATOM 1438 HG2 GLU A 93 -21.174 48.420 -22.856 1.00 0.00 H ATOM 1439 HG3 GLU A 93 -19.705 47.516 -23.290 1.00 0.00 H ATOM 1440 H GLU A 93 -20.213 44.947 -21.156 1.00 0.00 H ATOM 1441 N ASN A 94 -18.536 46.317 -18.558 1.00 23.40 N ATOM 1442 CA ASN A 94 -18.019 46.659 -17.242 1.00 23.39 C ATOM 1443 C ASN A 94 -16.649 46.051 -16.973 1.00 23.46 C ATOM 1444 O ASN A 94 -15.781 46.719 -16.419 1.00 23.51 O ATOM 1445 CB ASN A 94 -19.025 46.303 -16.138 1.00 23.48 C ATOM 1446 CG ASN A 94 -20.212 47.265 -16.091 1.00 23.53 C ATOM 1447 OD1 ASN A 94 -20.091 48.448 -16.448 1.00 23.78 O ATOM 1448 ND2 ASN A 94 -21.366 46.757 -15.657 1.00 24.09 N ATOM 1449 HA ASN A 94 -17.881 47.740 -17.231 1.00 0.00 H ATOM 1450 HB2 ASN A 94 -19.399 45.295 -16.318 1.00 0.00 H ATOM 1451 HB3 ASN A 94 -18.513 46.333 -15.176 1.00 0.00 H ATOM 1452 HD22 ASN A 94 -21.419 45.759 -15.368 1.00 0.00 H ATOM 1453 HD21 ASN A 94 -22.213 47.359 -15.607 1.00 0.00 H ATOM 1454 H ASN A 94 -19.108 45.457 -18.681 1.00 0.00 H ATOM 1455 N ILE A 95 -16.467 44.779 -17.357 1.00 23.54 N ATOM 1456 CA ILE A 95 -15.152 44.128 -17.337 1.00 23.26 C ATOM 1457 C ILE A 95 -14.174 44.988 -18.139 1.00 22.91 C ATOM 1458 O ILE A 95 -13.050 45.227 -17.706 1.00 22.40 O ATOM 1459 CB ILE A 95 -15.190 42.710 -18.006 1.00 23.90 C ATOM 1460 CG1 ILE A 95 -16.317 41.837 -17.433 1.00 24.07 C ATOM 1461 CG2 ILE A 95 -13.833 42.005 -17.890 1.00 23.55 C ATOM 1462 CD1 ILE A 95 -16.575 40.554 -18.299 1.00 21.28 C ATOM 1463 HA ILE A 95 -14.849 44.018 -16.296 1.00 0.00 H ATOM 1464 HB ILE A 95 -15.402 42.860 -19.065 1.00 0.00 H ATOM 1465 HG12 ILE A 95 -16.044 41.530 -16.423 1.00 0.00 H ATOM 1466 HG13 ILE A 95 -17.233 42.426 -17.397 1.00 0.00 H ATOM 1467 HD11 ILE A 95 -16.857 40.850 -19.310 1.00 0.00 H ATOM 1468 HD12 ILE A 95 -15.666 39.953 -18.335 1.00 0.00 H ATOM 1469 HD13 ILE A 95 -17.380 39.971 -17.852 1.00 0.00 H ATOM 1470 HG21 ILE A 95 -13.070 42.604 -18.387 1.00 0.00 H ATOM 1471 HG22 ILE A 95 -13.575 41.887 -16.838 1.00 0.00 H ATOM 1472 HG23 ILE A 95 -13.893 41.025 -18.363 1.00 0.00 H ATOM 1473 H ILE A 95 -17.290 44.233 -17.682 1.00 0.00 H ATOM 1474 N ILE A 96 -14.647 45.487 -19.294 1.00 22.60 N ATOM 1475 CA ILE A 96 -13.875 46.399 -20.143 1.00 22.55 C ATOM 1476 C ILE A 96 -13.538 47.653 -19.321 1.00 22.02 C ATOM 1477 O ILE A 96 -12.380 48.047 -19.238 1.00 22.14 O ATOM 1478 CB ILE A 96 -14.674 46.830 -21.418 1.00 22.54 C ATOM 1479 CG1 ILE A 96 -15.081 45.593 -22.329 1.00 24.00 C ATOM 1480 CG2 ILE A 96 -13.878 47.838 -22.222 1.00 21.92 C ATOM 1481 CD1 ILE A 96 -13.853 44.916 -23.064 1.00 29.07 C ATOM 1482 HA ILE A 96 -12.974 45.882 -20.473 1.00 0.00 H ATOM 1483 HB ILE A 96 -15.600 47.291 -21.075 1.00 0.00 H ATOM 1484 HG12 ILE A 96 -15.562 44.844 -21.699 1.00 0.00 H ATOM 1485 HG13 ILE A 96 -15.787 45.938 -23.084 1.00 0.00 H ATOM 1486 HD11 ILE A 96 -13.367 45.649 -23.708 1.00 0.00 H ATOM 1487 HD12 ILE A 96 -13.141 44.554 -22.322 1.00 0.00 H ATOM 1488 HD13 ILE A 96 -14.208 44.080 -23.667 1.00 0.00 H ATOM 1489 HG21 ILE A 96 -13.684 48.718 -21.609 1.00 0.00 H ATOM 1490 HG22 ILE A 96 -12.932 47.391 -22.528 1.00 0.00 H ATOM 1491 HG23 ILE A 96 -14.447 48.128 -23.105 1.00 0.00 H ATOM 1492 H ILE A 96 -15.603 45.214 -19.599 1.00 0.00 H ATOM 1493 N ALA A 97 -14.553 48.267 -18.717 1.00 21.50 N ATOM 1494 CA ALA A 97 -14.332 49.461 -17.907 1.00 21.54 C ATOM 1495 C ALA A 97 -13.239 49.262 -16.831 1.00 21.48 C ATOM 1496 O ALA A 97 -12.300 50.054 -16.750 1.00 21.89 O ATOM 1497 CB ALA A 97 -15.634 49.952 -17.291 1.00 21.54 C ATOM 1498 HA ALA A 97 -13.961 50.233 -18.582 1.00 0.00 H ATOM 1499 HB1 ALA A 97 -16.341 50.193 -18.084 1.00 0.00 H ATOM 1500 HB2 ALA A 97 -16.051 49.171 -16.656 1.00 0.00 H ATOM 1501 HB3 ALA A 97 -15.439 50.842 -16.693 1.00 0.00 H ATOM 1502 H ALA A 97 -15.517 47.891 -18.824 1.00 0.00 H ATOM 1503 N ALA A 98 -13.355 48.197 -16.035 1.00 21.25 N ATOM 1504 CA ALA A 98 -12.345 47.874 -15.015 1.00 21.48 C ATOM 1505 C ALA A 98 -10.919 47.767 -15.584 1.00 21.70 C ATOM 1506 O ALA A 98 -9.978 48.313 -15.009 1.00 22.16 O ATOM 1507 CB ALA A 98 -12.716 46.597 -14.287 1.00 21.43 C ATOM 1508 HA ALA A 98 -12.339 48.708 -14.313 1.00 0.00 H ATOM 1509 HB1 ALA A 98 -13.683 46.725 -13.801 1.00 0.00 H ATOM 1510 HB2 ALA A 98 -12.773 45.776 -15.002 1.00 0.00 H ATOM 1511 HB3 ALA A 98 -11.957 46.374 -13.537 1.00 0.00 H ATOM 1512 H ALA A 98 -14.184 47.577 -16.139 1.00 0.00 H ATOM 1513 N ALA A 99 -10.776 47.079 -16.717 1.00 21.31 N ATOM 1514 CA ALA A 99 -9.475 46.888 -17.359 1.00 21.56 C ATOM 1515 C ALA A 99 -8.881 48.191 -17.945 1.00 21.69 C ATOM 1516 O ALA A 99 -7.653 48.402 -17.887 1.00 21.14 O ATOM 1517 CB ALA A 99 -9.565 45.794 -18.439 1.00 21.69 C ATOM 1518 HA ALA A 99 -8.787 46.568 -16.576 1.00 0.00 H ATOM 1519 HB1 ALA A 99 -9.876 44.856 -17.979 1.00 0.00 H ATOM 1520 HB2 ALA A 99 -10.294 46.089 -19.194 1.00 0.00 H ATOM 1521 HB3 ALA A 99 -8.589 45.665 -18.906 1.00 0.00 H ATOM 1522 H ALA A 99 -11.620 46.663 -17.161 1.00 0.00 H ATOM 1523 N GLN A 100 -9.750 49.035 -18.528 1.00 21.73 N ATOM 1524 CA GLN A 100 -9.371 50.397 -18.955 1.00 21.96 C ATOM 1525 C GLN A 100 -8.994 51.286 -17.763 1.00 21.47 C ATOM 1526 O GLN A 100 -8.087 52.112 -17.857 1.00 21.03 O ATOM 1527 CB GLN A 100 -10.499 51.051 -19.767 1.00 22.31 C ATOM 1528 CG GLN A 100 -10.564 50.604 -21.259 1.00 24.30 C ATOM 1529 CD GLN A 100 -11.832 51.082 -21.977 1.00 25.49 C ATOM 1530 OE1 GLN A 100 -12.785 51.542 -21.338 1.00 27.78 O ATOM 1531 NE2 GLN A 100 -11.851 50.959 -23.303 1.00 23.55 N ATOM 1532 HA GLN A 100 -8.491 50.299 -19.590 1.00 0.00 H ATOM 1533 HB2 GLN A 100 -11.449 50.800 -19.294 1.00 0.00 H ATOM 1534 HB3 GLN A 100 -10.356 52.131 -19.741 1.00 0.00 H ATOM 1535 HG2 GLN A 100 -9.697 51.009 -21.780 1.00 0.00 H ATOM 1536 HG3 GLN A 100 -10.534 49.515 -21.297 1.00 0.00 H ATOM 1537 HE22 GLN A 100 -11.026 50.566 -23.801 1.00 0.00 H ATOM 1538 HE21 GLN A 100 -12.690 51.255 -23.841 1.00 0.00 H ATOM 1539 H GLN A 100 -10.728 48.716 -18.684 1.00 0.00 H ATOM 1540 N ALA A 101 -9.687 51.085 -16.639 1.00 21.38 N ATOM 1541 CA ALA A 101 -9.373 51.766 -15.369 1.00 20.80 C ATOM 1542 C ALA A 101 -8.095 51.218 -14.695 1.00 20.87 C ATOM 1543 O ALA A 101 -7.650 51.745 -13.667 1.00 20.62 O ATOM 1544 CB ALA A 101 -10.554 51.681 -14.421 1.00 20.10 C ATOM 1545 HA ALA A 101 -9.176 52.811 -15.609 1.00 0.00 H ATOM 1546 HB1 ALA A 101 -11.420 52.160 -14.878 1.00 0.00 H ATOM 1547 HB2 ALA A 101 -10.781 50.634 -14.218 1.00 0.00 H ATOM 1548 HB3 ALA A 101 -10.307 52.188 -13.488 1.00 0.00 H ATOM 1549 H ALA A 101 -10.484 50.418 -16.660 1.00 0.00 H ATOM 1550 N GLY A 102 -7.543 50.133 -15.249 1.00 20.63 N ATOM 1551 CA GLY A 102 -6.219 49.659 -14.855 1.00 20.66 C ATOM 1552 C GLY A 102 -6.180 48.505 -13.864 1.00 21.00 C ATOM 1553 O GLY A 102 -5.182 48.352 -13.123 1.00 20.73 O ATOM 1554 HA3 GLY A 102 -5.686 50.498 -14.408 1.00 0.00 H ATOM 1555 HA2 GLY A 102 -5.699 49.339 -15.758 1.00 0.00 H ATOM 1556 H GLY A 102 -8.070 49.613 -15.979 1.00 0.00 H ATOM 1557 N ALA A 103 -7.248 47.692 -13.837 1.00 20.89 N ATOM 1558 CA ALA A 103 -7.272 46.452 -13.007 1.00 21.34 C ATOM 1559 C ALA A 103 -6.130 45.477 -13.371 1.00 21.22 C ATOM 1560 O ALA A 103 -5.778 45.329 -14.551 1.00 21.13 O ATOM 1561 CB ALA A 103 -8.637 45.746 -13.113 1.00 21.22 C ATOM 1562 HA ALA A 103 -7.115 46.762 -11.974 1.00 0.00 H ATOM 1563 HB1 ALA A 103 -9.420 46.418 -12.763 1.00 0.00 H ATOM 1564 HB2 ALA A 103 -8.826 45.477 -14.152 1.00 0.00 H ATOM 1565 HB3 ALA A 103 -8.628 44.846 -12.499 1.00 0.00 H ATOM 1566 H ALA A 103 -8.082 47.933 -14.410 1.00 0.00 H ATOM 1567 N SER A 104 -5.545 44.842 -12.359 1.00 21.13 N ATOM 1568 CA SER A 104 -4.398 43.934 -12.575 1.00 21.56 C ATOM 1569 C SER A 104 -4.878 42.567 -13.082 1.00 21.50 C ATOM 1570 O SER A 104 -4.117 41.812 -13.702 1.00 21.33 O ATOM 1571 CB SER A 104 -3.583 43.768 -11.282 1.00 21.45 C ATOM 1572 OG SER A 104 -3.071 45.014 -10.820 1.00 22.17 O ATOM 1573 HA SER A 104 -3.753 44.378 -13.333 1.00 0.00 H ATOM 1574 HB2 SER A 104 -2.750 43.092 -11.473 1.00 0.00 H ATOM 1575 HB3 SER A 104 -4.225 43.342 -10.511 1.00 0.00 H ATOM 1576 HG SER A 104 -2.553 44.869 -9.989 1.00 0.00 H ATOM 1577 H SER A 104 -5.903 44.988 -11.393 1.00 0.00 H ATOM 1578 N GLY A 105 -6.138 42.259 -12.782 1.00 21.39 N ATOM 1579 CA GLY A 105 -6.832 41.103 -13.325 1.00 21.06 C ATOM 1580 C GLY A 105 -8.323 41.162 -13.019 1.00 21.27 C ATOM 1581 O GLY A 105 -8.811 42.118 -12.401 1.00 20.56 O ATOM 1582 HA3 GLY A 105 -6.414 40.198 -12.885 1.00 0.00 H ATOM 1583 HA2 GLY A 105 -6.691 41.079 -14.406 1.00 0.00 H ATOM 1584 H GLY A 105 -6.653 42.878 -12.124 1.00 0.00 H ATOM 1585 N TYR A 106 -9.044 40.125 -13.449 1.00 21.79 N ATOM 1586 CA TYR A 106 -10.481 40.054 -13.284 1.00 21.88 C ATOM 1587 C TYR A 106 -10.926 38.602 -13.126 1.00 22.74 C ATOM 1588 O TYR A 106 -10.841 37.812 -14.070 1.00 23.06 O ATOM 1589 CB TYR A 106 -11.174 40.676 -14.489 1.00 21.49 C ATOM 1590 CG TYR A 106 -12.572 41.197 -14.218 1.00 20.88 C ATOM 1591 CD1 TYR A 106 -12.805 42.568 -14.004 1.00 19.41 C ATOM 1592 CD2 TYR A 106 -13.670 40.330 -14.190 1.00 18.92 C ATOM 1593 CE1 TYR A 106 -14.083 43.043 -13.769 1.00 16.71 C ATOM 1594 CE2 TYR A 106 -14.939 40.801 -13.966 1.00 17.74 C ATOM 1595 CZ TYR A 106 -15.141 42.159 -13.758 1.00 17.47 C ATOM 1596 OH TYR A 106 -16.419 42.621 -13.532 1.00 19.26 O ATOM 1597 HA TYR A 106 -10.756 40.607 -12.386 1.00 0.00 H ATOM 1598 HB3 TYR A 106 -11.239 39.920 -15.271 1.00 0.00 H ATOM 1599 HB2 TYR A 106 -10.564 41.508 -14.840 1.00 0.00 H ATOM 1600 HD2 TYR A 106 -13.515 39.263 -14.349 1.00 0.00 H ATOM 1601 HE2 TYR A 106 -15.784 40.113 -13.951 1.00 0.00 H ATOM 1602 HE1 TYR A 106 -14.252 44.106 -13.594 1.00 0.00 H ATOM 1603 HD1 TYR A 106 -11.967 43.265 -14.024 1.00 0.00 H ATOM 1604 HH TYR A 106 -16.990 42.402 -14.310 1.00 0.00 H ATOM 1605 H TYR A 106 -8.555 39.337 -13.921 1.00 0.00 H ATOM 1606 N VAL A 107 -11.419 38.272 -11.930 1.00 23.12 N ATOM 1607 CA VAL A 107 -11.930 36.943 -11.611 1.00 23.23 C ATOM 1608 C VAL A 107 -13.437 37.050 -11.425 1.00 23.65 C ATOM 1609 O VAL A 107 -13.913 37.931 -10.703 1.00 23.98 O ATOM 1610 CB VAL A 107 -11.290 36.419 -10.287 1.00 23.44 C ATOM 1611 CG1 VAL A 107 -12.084 35.261 -9.715 1.00 22.67 C ATOM 1612 CG2 VAL A 107 -9.801 36.029 -10.514 1.00 23.77 C ATOM 1613 HA VAL A 107 -11.684 36.251 -12.417 1.00 0.00 H ATOM 1614 HB VAL A 107 -11.318 37.225 -9.554 1.00 0.00 H ATOM 1615 HG11 VAL A 107 -13.102 35.589 -9.504 1.00 0.00 H ATOM 1616 HG12 VAL A 107 -12.106 34.445 -10.438 1.00 0.00 H ATOM 1617 HG13 VAL A 107 -11.613 34.919 -8.794 1.00 0.00 H ATOM 1618 HG21 VAL A 107 -9.743 35.245 -11.269 1.00 0.00 H ATOM 1619 HG22 VAL A 107 -9.245 36.903 -10.853 1.00 0.00 H ATOM 1620 HG23 VAL A 107 -9.375 35.667 -9.578 1.00 0.00 H ATOM 1621 H VAL A 107 -11.440 39.000 -11.187 1.00 0.00 H ATOM 1622 N VAL A 108 -14.194 36.171 -12.084 1.00 23.33 N ATOM 1623 CA VAL A 108 -15.643 36.171 -11.928 1.00 22.96 C ATOM 1624 C VAL A 108 -16.107 35.171 -10.866 1.00 23.11 C ATOM 1625 O VAL A 108 -15.530 34.082 -10.730 1.00 22.56 O ATOM 1626 CB VAL A 108 -16.413 35.957 -13.295 1.00 23.03 C ATOM 1627 CG1 VAL A 108 -16.346 37.230 -14.141 1.00 24.06 C ATOM 1628 CG2 VAL A 108 -15.872 34.730 -14.096 1.00 21.56 C ATOM 1629 HA VAL A 108 -15.903 37.170 -11.578 1.00 0.00 H ATOM 1630 HB VAL A 108 -17.454 35.741 -13.054 1.00 0.00 H ATOM 1631 HG11 VAL A 108 -16.808 38.053 -13.595 1.00 0.00 H ATOM 1632 HG12 VAL A 108 -15.304 37.471 -14.351 1.00 0.00 H ATOM 1633 HG13 VAL A 108 -16.879 37.070 -15.078 1.00 0.00 H ATOM 1634 HG21 VAL A 108 -14.817 34.883 -14.323 1.00 0.00 H ATOM 1635 HG22 VAL A 108 -15.989 33.827 -13.497 1.00 0.00 H ATOM 1636 HG23 VAL A 108 -16.434 34.628 -15.025 1.00 0.00 H ATOM 1637 H VAL A 108 -13.745 35.478 -12.716 1.00 0.00 H ATOM 1638 N LYS A 109 -17.139 35.562 -10.106 1.00 22.84 N ATOM 1639 CA LYS A 109 -17.798 34.659 -9.154 1.00 22.79 C ATOM 1640 C LYS A 109 -18.818 33.750 -9.877 1.00 22.53 C ATOM 1641 O LYS A 109 -19.445 34.175 -10.830 1.00 22.08 O ATOM 1642 CB LYS A 109 -18.497 35.451 -8.058 1.00 22.34 C ATOM 1643 CG LYS A 109 -17.553 36.197 -7.108 1.00 23.42 C ATOM 1644 CD LYS A 109 -18.370 36.936 -6.011 1.00 22.36 C ATOM 1645 CE LYS A 109 -17.471 37.815 -5.141 1.00 22.47 C ATOM 1646 NZ LYS A 109 -18.279 38.777 -4.299 1.00 21.26 N ATOM 1647 HA LYS A 109 -17.030 34.032 -8.700 1.00 0.00 H ATOM 1648 HB2 LYS A 109 -19.151 36.183 -8.532 1.00 0.00 H ATOM 1649 HB3 LYS A 109 -19.096 34.758 -7.467 1.00 0.00 H ATOM 1650 HG2 LYS A 109 -16.879 35.483 -6.635 1.00 0.00 H ATOM 1651 HG3 LYS A 109 -16.971 36.924 -7.675 1.00 0.00 H ATOM 1652 HD2 LYS A 109 -19.122 37.563 -6.491 1.00 0.00 H ATOM 1653 HD3 LYS A 109 -18.864 36.198 -5.379 1.00 0.00 H ATOM 1654 HE2 LYS A 109 -16.802 38.385 -5.786 1.00 0.00 H ATOM 1655 HE3 LYS A 109 -16.882 37.177 -4.482 1.00 0.00 H ATOM 1656 HZ1 LYS A 109 -18.839 39.394 -4.921 1.00 0.00 H ATOM 1657 HZ2 LYS A 109 -18.916 38.240 -3.676 1.00 0.00 H ATOM 1658 HZ3 LYS A 109 -17.636 39.356 -3.723 1.00 0.00 H ATOM 1659 H LYS A 109 -17.485 36.539 -10.193 1.00 0.00 H ATOM 1660 N PRO A 110 -18.949 32.478 -9.433 1.00 22.44 N ATOM 1661 CA PRO A 110 -18.080 31.820 -8.434 1.00 22.06 C ATOM 1662 C PRO A 110 -16.724 31.431 -9.033 1.00 22.05 C ATOM 1663 O PRO A 110 -16.622 31.194 -10.252 1.00 22.72 O ATOM 1664 CB PRO A 110 -18.874 30.572 -8.057 1.00 21.91 C ATOM 1665 CG PRO A 110 -19.720 30.282 -9.258 1.00 21.71 C ATOM 1666 CD PRO A 110 -20.034 31.591 -9.897 1.00 21.91 C ATOM 1667 HA PRO A 110 -17.850 32.467 -7.588 1.00 0.00 H ATOM 1668 HD3 PRO A 110 -20.028 31.505 -10.984 1.00 0.00 H ATOM 1669 HD2 PRO A 110 -21.005 31.961 -9.569 1.00 0.00 H ATOM 1670 HG3 PRO A 110 -20.640 29.782 -8.956 1.00 0.00 H ATOM 1671 HG2 PRO A 110 -19.175 29.646 -9.955 1.00 0.00 H ATOM 1672 HB2 PRO A 110 -18.204 29.738 -7.848 1.00 0.00 H ATOM 1673 HB3 PRO A 110 -19.498 30.762 -7.184 1.00 0.00 H ATOM 1674 N PHE A 111 -15.689 31.393 -8.203 1.00 21.64 N ATOM 1675 CA PHE A 111 -14.360 31.038 -8.691 1.00 21.25 C ATOM 1676 C PHE A 111 -13.820 29.792 -8.018 1.00 20.92 C ATOM 1677 O PHE A 111 -14.244 29.419 -6.942 1.00 20.52 O ATOM 1678 CB PHE A 111 -13.360 32.220 -8.572 1.00 21.41 C ATOM 1679 CG PHE A 111 -13.220 32.774 -7.173 1.00 22.05 C ATOM 1680 CD1 PHE A 111 -12.219 32.307 -6.320 1.00 21.94 C ATOM 1681 CD2 PHE A 111 -14.090 33.764 -6.704 1.00 21.12 C ATOM 1682 CE1 PHE A 111 -12.102 32.810 -5.021 1.00 21.34 C ATOM 1683 CE2 PHE A 111 -13.974 34.261 -5.401 1.00 19.92 C ATOM 1684 CZ PHE A 111 -12.979 33.792 -4.568 1.00 19.59 C ATOM 1685 HA PHE A 111 -14.471 30.812 -9.751 1.00 0.00 H ATOM 1686 HB2 PHE A 111 -12.381 31.874 -8.903 1.00 0.00 H ATOM 1687 HB3 PHE A 111 -13.700 33.023 -9.226 1.00 0.00 H ATOM 1688 HD2 PHE A 111 -14.868 34.153 -7.361 1.00 0.00 H ATOM 1689 HE2 PHE A 111 -14.670 35.020 -5.044 1.00 0.00 H ATOM 1690 HZ PHE A 111 -12.880 34.189 -3.558 1.00 0.00 H ATOM 1691 HE1 PHE A 111 -11.322 32.432 -4.360 1.00 0.00 H ATOM 1692 HD1 PHE A 111 -11.523 31.544 -6.669 1.00 0.00 H ATOM 1693 H PHE A 111 -15.826 31.618 -7.197 1.00 0.00 H ATOM 1694 N THR A 112 -12.869 29.156 -8.663 1.00 21.03 N ATOM 1695 CA THR A 112 -12.185 28.048 -8.085 1.00 20.58 C ATOM 1696 C THR A 112 -10.906 28.609 -7.436 1.00 20.34 C ATOM 1697 O THR A 112 -10.399 29.649 -7.851 1.00 20.23 O ATOM 1698 CB THR A 112 -11.727 27.043 -9.144 1.00 20.59 C ATOM 1699 OG1 THR A 112 -10.762 27.667 -10.007 1.00 20.58 O ATOM 1700 CG2 THR A 112 -12.924 26.561 -9.970 1.00 20.08 C ATOM 1701 HA THR A 112 -12.856 27.547 -7.387 1.00 0.00 H ATOM 1702 HB THR A 112 -11.274 26.184 -8.649 1.00 0.00 H ATOM 1703 HG1 THR A 112 -11.175 28.450 -10.450 1.00 0.00 H ATOM 1704 HG23 THR A 112 -13.652 26.089 -9.311 1.00 0.00 H ATOM 1705 HG21 THR A 112 -13.384 27.412 -10.471 1.00 0.00 H ATOM 1706 HG22 THR A 112 -12.584 25.840 -10.714 1.00 0.00 H ATOM 1707 H THR A 112 -12.609 29.469 -9.620 1.00 0.00 H ATOM 1708 N ALA A 113 -10.387 27.885 -6.453 1.00 20.56 N ATOM 1709 CA ALA A 113 -9.143 28.250 -5.787 1.00 20.69 C ATOM 1710 C ALA A 113 -8.056 28.312 -6.864 1.00 20.93 C ATOM 1711 O ALA A 113 -7.191 29.194 -6.816 1.00 21.66 O ATOM 1712 CB ALA A 113 -8.775 27.258 -4.687 1.00 20.44 C ATOM 1713 HA ALA A 113 -9.252 29.216 -5.293 1.00 0.00 H ATOM 1714 HB1 ALA A 113 -9.569 27.234 -3.940 1.00 0.00 H ATOM 1715 HB2 ALA A 113 -8.653 26.265 -5.121 1.00 0.00 H ATOM 1716 HB3 ALA A 113 -7.842 27.568 -4.217 1.00 0.00 H ATOM 1717 H ALA A 113 -10.886 27.026 -6.146 1.00 0.00 H ATOM 1718 N ALA A 114 -8.108 27.380 -7.830 1.00 20.55 N ATOM 1719 CA ALA A 114 -7.119 27.328 -8.924 1.00 20.24 C ATOM 1720 C ALA A 114 -7.060 28.630 -9.704 1.00 20.46 C ATOM 1721 O ALA A 114 -5.975 29.110 -10.018 1.00 20.71 O ATOM 1722 CB ALA A 114 -7.398 26.146 -9.874 1.00 19.49 C ATOM 1723 HA ALA A 114 -6.145 27.177 -8.458 1.00 0.00 H ATOM 1724 HB1 ALA A 114 -7.347 25.212 -9.314 1.00 0.00 H ATOM 1725 HB2 ALA A 114 -8.392 26.257 -10.308 1.00 0.00 H ATOM 1726 HB3 ALA A 114 -6.652 26.136 -10.669 1.00 0.00 H ATOM 1727 H ALA A 114 -8.870 26.672 -7.806 1.00 0.00 H ATOM 1728 N THR A 115 -8.230 29.191 -10.018 1.00 20.41 N ATOM 1729 CA THR A 115 -8.312 30.453 -10.730 1.00 20.51 C ATOM 1730 C THR A 115 -7.628 31.566 -9.952 1.00 20.84 C ATOM 1731 O THR A 115 -6.801 32.291 -10.508 1.00 21.28 O ATOM 1732 CB THR A 115 -9.775 30.853 -11.026 1.00 20.66 C ATOM 1733 OG1 THR A 115 -10.378 29.865 -11.876 1.00 20.98 O ATOM 1734 CG2 THR A 115 -9.840 32.231 -11.707 1.00 19.89 C ATOM 1735 HA THR A 115 -7.796 30.311 -11.680 1.00 0.00 H ATOM 1736 HB THR A 115 -10.317 30.910 -10.082 1.00 0.00 H ATOM 1737 HG1 THR A 115 -11.315 30.122 -12.065 1.00 0.00 H ATOM 1738 HG23 THR A 115 -9.381 32.977 -11.058 1.00 0.00 H ATOM 1739 HG21 THR A 115 -9.303 32.192 -12.655 1.00 0.00 H ATOM 1740 HG22 THR A 115 -10.881 32.496 -11.889 1.00 0.00 H ATOM 1741 H THR A 115 -9.110 28.709 -9.744 1.00 0.00 H ATOM 1742 N LEU A 116 -7.956 31.689 -8.665 1.00 20.87 N ATOM 1743 CA LEU A 116 -7.419 32.779 -7.844 1.00 21.02 C ATOM 1744 C LEU A 116 -5.889 32.707 -7.788 1.00 21.08 C ATOM 1745 O LEU A 116 -5.198 33.727 -7.967 1.00 21.05 O ATOM 1746 CB LEU A 116 -8.023 32.775 -6.423 1.00 20.66 C ATOM 1747 CG LEU A 116 -7.646 33.985 -5.544 1.00 21.67 C ATOM 1748 CD1 LEU A 116 -7.918 35.308 -6.272 1.00 21.30 C ATOM 1749 CD2 LEU A 116 -8.366 33.969 -4.192 1.00 22.05 C ATOM 1750 HA LEU A 116 -7.705 33.720 -8.315 1.00 0.00 H ATOM 1751 HB2 LEU A 116 -9.109 32.753 -6.518 1.00 0.00 H ATOM 1752 HB3 LEU A 116 -7.685 31.871 -5.916 1.00 0.00 H ATOM 1753 HG LEU A 116 -6.576 33.904 -5.350 1.00 0.00 H ATOM 1754 HD21 LEU A 116 -9.443 33.993 -4.355 1.00 0.00 H ATOM 1755 HD22 LEU A 116 -8.099 33.062 -3.650 1.00 0.00 H ATOM 1756 HD23 LEU A 116 -8.066 34.842 -3.612 1.00 0.00 H ATOM 1757 HD11 LEU A 116 -7.327 35.346 -7.187 1.00 0.00 H ATOM 1758 HD12 LEU A 116 -8.978 35.374 -6.519 1.00 0.00 H ATOM 1759 HD13 LEU A 116 -7.642 36.141 -5.625 1.00 0.00 H ATOM 1760 H LEU A 116 -8.605 30.999 -8.236 1.00 0.00 H ATOM 1761 N GLU A 117 -5.383 31.496 -7.542 1.00 20.64 N ATOM 1762 CA GLU A 117 -3.959 31.223 -7.523 1.00 20.80 C ATOM 1763 C GLU A 117 -3.295 31.572 -8.862 1.00 20.92 C ATOM 1764 O GLU A 117 -2.227 32.193 -8.891 1.00 21.11 O ATOM 1765 CB GLU A 117 -3.704 29.744 -7.153 1.00 20.58 C ATOM 1766 CG GLU A 117 -2.217 29.339 -7.219 1.00 20.92 C ATOM 1767 CD GLU A 117 -1.865 28.169 -6.305 1.00 21.46 C ATOM 1768 OE1 GLU A 117 -2.715 27.284 -6.076 1.00 21.54 O ATOM 1769 OE2 GLU A 117 -0.721 28.139 -5.813 1.00 22.97 O ATOM 1770 HA GLU A 117 -3.507 31.860 -6.763 1.00 0.00 H ATOM 1771 HB2 GLU A 117 -4.063 29.576 -6.138 1.00 0.00 H ATOM 1772 HB3 GLU A 117 -4.264 29.114 -7.844 1.00 0.00 H ATOM 1773 HG2 GLU A 117 -1.980 29.059 -8.245 1.00 0.00 H ATOM 1774 HG3 GLU A 117 -1.612 30.198 -6.929 1.00 0.00 H ATOM 1775 H GLU A 117 -6.041 30.712 -7.355 1.00 0.00 H ATOM 1776 N GLU A 118 -3.942 31.175 -9.957 1.00 21.00 N ATOM 1777 CA GLU A 118 -3.417 31.409 -11.290 1.00 21.48 C ATOM 1778 C GLU A 118 -3.308 32.914 -11.601 1.00 21.58 C ATOM 1779 O GLU A 118 -2.349 33.358 -12.251 1.00 21.80 O ATOM 1780 CB GLU A 118 -4.292 30.708 -12.332 1.00 21.25 C ATOM 1781 CG GLU A 118 -3.765 30.803 -13.746 1.00 22.53 C ATOM 1782 CD GLU A 118 -4.862 30.681 -14.782 1.00 23.70 C ATOM 1783 OE1 GLU A 118 -5.369 31.740 -15.224 1.00 24.29 O ATOM 1784 OE2 GLU A 118 -5.234 29.534 -15.134 1.00 23.08 O ATOM 1785 HA GLU A 118 -2.411 30.992 -11.332 1.00 0.00 H ATOM 1786 HB2 GLU A 118 -4.366 29.654 -12.064 1.00 0.00 H ATOM 1787 HB3 GLU A 118 -5.284 31.159 -12.305 1.00 0.00 H ATOM 1788 HG2 GLU A 118 -3.271 31.766 -13.871 1.00 0.00 H ATOM 1789 HG3 GLU A 118 -3.043 30.002 -13.905 1.00 0.00 H ATOM 1790 H GLU A 118 -4.852 30.682 -9.853 1.00 0.00 H ATOM 1791 N LYS A 119 -4.287 33.685 -11.133 1.00 21.08 N ATOM 1792 CA LYS A 119 -4.328 35.114 -11.408 1.00 21.04 C ATOM 1793 C LYS A 119 -3.337 35.882 -10.542 1.00 21.11 C ATOM 1794 O LYS A 119 -2.749 36.856 -10.988 1.00 20.85 O ATOM 1795 CB LYS A 119 -5.745 35.650 -11.237 1.00 20.72 C ATOM 1796 CG LYS A 119 -6.742 35.020 -12.188 1.00 20.34 C ATOM 1797 CD LYS A 119 -6.739 35.749 -13.532 1.00 20.47 C ATOM 1798 CE LYS A 119 -7.499 34.701 -14.607 1.00 20.89 C ATOM 1799 NZ LYS A 119 -7.369 35.465 -15.933 1.00 22.25 N ATOM 1800 HA LYS A 119 -4.029 35.264 -12.445 1.00 0.00 H ATOM 1801 HB2 LYS A 119 -6.069 35.453 -10.215 1.00 0.00 H ATOM 1802 HB3 LYS A 119 -5.732 36.726 -11.412 1.00 0.00 H ATOM 1803 HG2 LYS A 119 -6.475 33.975 -12.346 1.00 0.00 H ATOM 1804 HG3 LYS A 119 -7.739 35.077 -11.751 1.00 0.00 H ATOM 1805 HD2 LYS A 119 -7.289 36.687 -13.459 1.00 0.00 H ATOM 1806 HD3 LYS A 119 -5.718 35.952 -13.854 1.00 0.00 H ATOM 1807 HE2 LYS A 119 -8.544 34.545 -14.339 1.00 0.00 H ATOM 1808 HE3 LYS A 119 -6.989 33.739 -14.651 1.00 0.00 H ATOM 1809 HZ1 LYS A 119 -7.847 36.385 -15.850 1.00 0.00 H ATOM 1810 HZ2 LYS A 119 -6.363 35.614 -16.148 1.00 0.00 H ATOM 1811 HZ3 LYS A 119 -7.810 34.911 -16.695 1.00 0.00 H ATOM 1812 H LYS A 119 -5.040 33.257 -10.558 1.00 0.00 H ATOM 1813 N LEU A 120 -3.147 35.411 -9.312 1.00 21.66 N ATOM 1814 CA LEU A 120 -2.166 35.970 -8.388 1.00 22.18 C ATOM 1815 C LEU A 120 -0.723 35.792 -8.897 1.00 22.44 C ATOM 1816 O LEU A 120 0.047 36.768 -8.968 1.00 22.42 O ATOM 1817 CB LEU A 120 -2.316 35.313 -7.011 1.00 22.51 C ATOM 1818 CG LEU A 120 -3.434 35.823 -6.089 1.00 23.61 C ATOM 1819 CD1 LEU A 120 -3.818 34.767 -5.046 1.00 23.24 C ATOM 1820 CD2 LEU A 120 -3.016 37.111 -5.407 1.00 24.29 C ATOM 1821 HA LEU A 120 -2.358 37.040 -8.312 1.00 0.00 H ATOM 1822 HB2 LEU A 120 -2.490 34.250 -7.176 1.00 0.00 H ATOM 1823 HB3 LEU A 120 -1.372 35.447 -6.482 1.00 0.00 H ATOM 1824 HG LEU A 120 -4.310 36.022 -6.706 1.00 0.00 H ATOM 1825 HD21 LEU A 120 -2.121 36.932 -4.812 1.00 0.00 H ATOM 1826 HD22 LEU A 120 -2.806 37.869 -6.162 1.00 0.00 H ATOM 1827 HD23 LEU A 120 -3.822 37.455 -4.759 1.00 0.00 H ATOM 1828 HD11 LEU A 120 -4.168 33.868 -5.553 1.00 0.00 H ATOM 1829 HD12 LEU A 120 -2.947 34.526 -4.437 1.00 0.00 H ATOM 1830 HD13 LEU A 120 -4.611 35.159 -4.409 1.00 0.00 H ATOM 1831 H LEU A 120 -3.725 34.607 -8.994 1.00 0.00 H ATOM 1832 N ASN A 121 -0.363 34.546 -9.231 1.00 22.43 N ATOM 1833 CA ASN A 121 0.965 34.233 -9.758 1.00 22.20 C ATOM 1834 C ASN A 121 1.254 34.990 -11.062 1.00 22.33 C ATOM 1835 O ASN A 121 2.431 35.289 -11.374 1.00 22.17 O ATOM 1836 CB ASN A 121 1.125 32.719 -9.987 1.00 22.32 C ATOM 1837 CG ASN A 121 1.226 31.909 -8.669 1.00 22.95 C ATOM 1838 OD1 ASN A 121 1.764 32.378 -7.659 1.00 22.40 O ATOM 1839 ND2 ASN A 121 0.735 30.667 -8.707 1.00 23.57 N ATOM 1840 HA ASN A 121 1.688 34.557 -9.009 1.00 0.00 H ATOM 1841 HB2 ASN A 121 0.263 32.360 -10.549 1.00 0.00 H ATOM 1842 HB3 ASN A 121 2.032 32.550 -10.568 1.00 0.00 H ATOM 1843 HD22 ASN A 121 0.290 30.310 -9.577 1.00 0.00 H ATOM 1844 HD21 ASN A 121 0.798 30.057 -7.867 1.00 0.00 H ATOM 1845 H ASN A 121 -1.051 33.775 -9.112 1.00 0.00 H ATOM 1846 N LYS A 122 0.187 35.300 -11.820 1.00 22.10 N ATOM 1847 CA LYS A 122 0.349 36.031 -13.076 1.00 22.15 C ATOM 1848 C LYS A 122 0.754 37.480 -12.818 1.00 22.03 C ATOM 1849 O LYS A 122 1.600 38.030 -13.534 1.00 21.84 O ATOM 1850 CB LYS A 122 -0.917 35.957 -13.948 1.00 22.14 C ATOM 1851 CG LYS A 122 -0.688 36.430 -15.400 1.00 22.73 C ATOM 1852 CD LYS A 122 -1.705 35.831 -16.387 1.00 24.13 C ATOM 1853 CE LYS A 122 -2.662 36.921 -16.939 1.00 24.35 C ATOM 1854 NZ LYS A 122 -3.327 36.559 -18.249 1.00 22.90 N ATOM 1855 HA LYS A 122 1.153 35.548 -13.631 1.00 0.00 H ATOM 1856 HB2 LYS A 122 -1.261 34.923 -13.971 1.00 0.00 H ATOM 1857 HB3 LYS A 122 -1.685 36.585 -13.497 1.00 0.00 H ATOM 1858 HG2 LYS A 122 -0.771 37.516 -15.430 1.00 0.00 H ATOM 1859 HG3 LYS A 122 0.314 36.134 -15.709 1.00 0.00 H ATOM 1860 HD2 LYS A 122 -1.168 35.375 -17.219 1.00 0.00 H ATOM 1861 HD3 LYS A 122 -2.292 35.069 -15.874 1.00 0.00 H ATOM 1862 HE2 LYS A 122 -2.088 37.836 -17.088 1.00 0.00 H ATOM 1863 HE3 LYS A 122 -3.441 37.099 -16.198 1.00 0.00 H ATOM 1864 HZ1 LYS A 122 -2.598 36.397 -18.973 1.00 0.00 H ATOM 1865 HZ2 LYS A 122 -3.890 35.694 -18.123 1.00 0.00 H ATOM 1866 HZ3 LYS A 122 -3.948 37.338 -18.548 1.00 0.00 H ATOM 1867 H LYS A 122 -0.764 35.017 -11.509 1.00 0.00 H ATOM 1868 N ILE A 123 0.163 38.077 -11.774 1.00 22.23 N ATOM 1869 CA ILE A 123 0.439 39.470 -11.397 1.00 22.07 C ATOM 1870 C ILE A 123 1.854 39.582 -10.838 1.00 21.93 C ATOM 1871 O ILE A 123 2.606 40.485 -11.226 1.00 21.80 O ATOM 1872 CB ILE A 123 -0.590 40.006 -10.339 1.00 22.27 C ATOM 1873 CG1 ILE A 123 -2.081 39.738 -10.798 1.00 22.95 C ATOM 1874 CG2 ILE A 123 -0.374 41.521 -10.136 1.00 22.83 C ATOM 1875 CD1 ILE A 123 -2.175 40.048 -12.402 1.00 27.04 C ATOM 1876 HA ILE A 123 0.342 40.081 -12.295 1.00 0.00 H ATOM 1877 HB ILE A 123 -0.425 39.476 -9.401 1.00 0.00 H ATOM 1878 HG12 ILE A 123 -2.348 38.699 -10.605 1.00 0.00 H ATOM 1879 HG13 ILE A 123 -2.760 40.393 -10.253 1.00 0.00 H ATOM 1880 HD11 ILE A 123 -1.903 41.087 -12.586 1.00 0.00 H ATOM 1881 HD12 ILE A 123 -1.490 39.391 -12.938 1.00 0.00 H ATOM 1882 HD13 ILE A 123 -3.194 39.871 -12.746 1.00 0.00 H ATOM 1883 HG21 ILE A 123 0.641 41.697 -9.780 1.00 0.00 H ATOM 1884 HG22 ILE A 123 -0.523 42.038 -11.084 1.00 0.00 H ATOM 1885 HG23 ILE A 123 -1.088 41.893 -9.402 1.00 0.00 H ATOM 1886 H ILE A 123 -0.518 37.532 -11.208 1.00 0.00 H ATOM 1887 N PHE A 124 2.209 38.649 -9.939 1.00 21.74 N ATOM 1888 CA PHE A 124 3.549 38.570 -9.341 1.00 21.72 C ATOM 1889 C PHE A 124 4.660 38.572 -10.391 1.00 21.99 C ATOM 1890 O PHE A 124 5.689 39.235 -10.207 1.00 22.07 O ATOM 1891 CB PHE A 124 3.703 37.303 -8.473 1.00 21.61 C ATOM 1892 CG PHE A 124 2.751 37.230 -7.304 1.00 21.50 C ATOM 1893 CD1 PHE A 124 2.348 38.385 -6.623 1.00 20.77 C ATOM 1894 CD2 PHE A 124 2.302 35.992 -6.849 1.00 21.19 C ATOM 1895 CE1 PHE A 124 1.493 38.309 -5.547 1.00 20.96 C ATOM 1896 CE2 PHE A 124 1.438 35.907 -5.763 1.00 21.04 C ATOM 1897 CZ PHE A 124 1.030 37.063 -5.114 1.00 21.39 C ATOM 1898 HA PHE A 124 3.648 39.462 -8.722 1.00 0.00 H ATOM 1899 HB2 PHE A 124 3.533 36.432 -9.107 1.00 0.00 H ATOM 1900 HB3 PHE A 124 4.722 37.276 -8.086 1.00 0.00 H ATOM 1901 HD2 PHE A 124 2.631 35.081 -7.349 1.00 0.00 H ATOM 1902 HE2 PHE A 124 1.082 34.935 -5.423 1.00 0.00 H ATOM 1903 HZ PHE A 124 0.348 37.000 -4.266 1.00 0.00 H ATOM 1904 HE1 PHE A 124 1.178 39.218 -5.034 1.00 0.00 H ATOM 1905 HD1 PHE A 124 2.716 39.358 -6.949 1.00 0.00 H ATOM 1906 H PHE A 124 1.499 37.946 -9.651 1.00 0.00 H ATOM 1907 N GLU A 125 4.472 37.799 -11.466 1.00 22.05 N ATOM 1908 CA GLU A 125 5.478 37.716 -12.522 1.00 22.56 C ATOM 1909 C GLU A 125 5.553 38.997 -13.349 1.00 22.25 C ATOM 1910 O GLU A 125 6.643 39.518 -13.585 1.00 21.88 O ATOM 1911 CB GLU A 125 5.294 36.465 -13.413 1.00 22.71 C ATOM 1912 CG GLU A 125 3.912 36.314 -14.061 1.00 24.22 C ATOM 1913 CD GLU A 125 3.820 36.917 -15.487 1.00 25.14 C ATOM 1914 OE1 GLU A 125 4.890 37.045 -16.198 1.00 23.93 O ATOM 1915 OE2 GLU A 125 2.666 37.247 -15.891 1.00 23.72 O ATOM 1916 HA GLU A 125 6.440 37.605 -12.021 1.00 0.00 H ATOM 1917 HB2 GLU A 125 6.036 36.508 -14.210 1.00 0.00 H ATOM 1918 HB3 GLU A 125 5.475 35.584 -12.797 1.00 0.00 H ATOM 1919 HG2 GLU A 125 3.674 35.252 -14.121 1.00 0.00 H ATOM 1920 HG3 GLU A 125 3.179 36.814 -13.428 1.00 0.00 H ATOM 1921 H GLU A 125 3.594 37.247 -11.552 1.00 0.00 H ATOM 1922 N LYS A 126 4.390 39.523 -13.747 1.00 22.29 N ATOM 1923 CA LYS A 126 4.350 40.733 -14.569 1.00 22.39 C ATOM 1924 C LYS A 126 5.041 41.882 -13.849 1.00 22.15 C ATOM 1925 O LYS A 126 5.618 42.763 -14.487 1.00 22.05 O ATOM 1926 CB LYS A 126 2.906 41.123 -14.913 1.00 22.54 C ATOM 1927 CG LYS A 126 2.760 41.802 -16.290 1.00 23.21 C ATOM 1928 CD LYS A 126 1.851 43.033 -16.243 1.00 23.59 C ATOM 1929 CE LYS A 126 1.919 43.762 -17.674 1.00 24.81 C ATOM 1930 NZ LYS A 126 1.484 45.220 -17.598 1.00 24.54 N ATOM 1931 HA LYS A 126 4.877 40.524 -15.500 1.00 0.00 H ATOM 1932 HB2 LYS A 126 2.295 40.221 -14.907 1.00 0.00 H ATOM 1933 HB3 LYS A 126 2.544 41.811 -14.149 1.00 0.00 H ATOM 1934 HG2 LYS A 126 3.747 42.109 -16.635 1.00 0.00 H ATOM 1935 HG3 LYS A 126 2.339 41.082 -16.992 1.00 0.00 H ATOM 1936 HD2 LYS A 126 0.826 42.728 -16.032 1.00 0.00 H ATOM 1937 HD3 LYS A 126 2.193 43.715 -15.464 1.00 0.00 H ATOM 1938 HE2 LYS A 126 1.264 43.236 -18.368 1.00 0.00 H ATOM 1939 HE3 LYS A 126 2.944 43.720 -18.041 1.00 0.00 H ATOM 1940 HZ1 LYS A 126 0.503 45.271 -17.255 1.00 0.00 H ATOM 1941 HZ2 LYS A 126 2.108 45.733 -16.943 1.00 0.00 H ATOM 1942 HZ3 LYS A 126 1.544 45.648 -18.544 1.00 0.00 H ATOM 1943 H LYS A 126 3.499 39.065 -13.468 1.00 0.00 H ATOM 1944 N LEU A 127 4.992 41.850 -12.512 1.00 21.92 N ATOM 1945 CA LEU A 127 5.493 42.950 -11.688 1.00 21.76 C ATOM 1946 C LEU A 127 6.789 42.618 -10.960 1.00 21.76 C ATOM 1947 O LEU A 127 7.341 43.464 -10.268 1.00 21.45 O ATOM 1948 CB LEU A 127 4.429 43.397 -10.680 1.00 21.65 C ATOM 1949 CG LEU A 127 3.133 44.003 -11.239 1.00 21.71 C ATOM 1950 CD1 LEU A 127 2.107 44.118 -10.112 1.00 21.24 C ATOM 1951 CD2 LEU A 127 3.400 45.383 -11.912 1.00 19.81 C ATOM 1952 HA LEU A 127 5.717 43.765 -12.376 1.00 0.00 H ATOM 1953 HB2 LEU A 127 4.153 42.525 -10.088 1.00 0.00 H ATOM 1954 HB3 LEU A 127 4.886 44.145 -10.032 1.00 0.00 H ATOM 1955 HG LEU A 127 2.735 43.348 -12.014 1.00 0.00 H ATOM 1956 HD21 LEU A 127 3.816 46.070 -11.176 1.00 0.00 H ATOM 1957 HD22 LEU A 127 4.107 45.255 -12.732 1.00 0.00 H ATOM 1958 HD23 LEU A 127 2.463 45.785 -12.297 1.00 0.00 H ATOM 1959 HD11 LEU A 127 1.903 43.127 -9.705 1.00 0.00 H ATOM 1960 HD12 LEU A 127 2.503 44.761 -9.326 1.00 0.00 H ATOM 1961 HD13 LEU A 127 1.185 44.548 -10.504 1.00 0.00 H ATOM 1962 H LEU A 127 4.584 41.016 -12.043 1.00 0.00 H ATOM 1963 N GLY A 128 7.262 41.381 -11.108 1.00 22.02 N ATOM 1964 CA GLY A 128 8.548 40.969 -10.541 1.00 22.69 C ATOM 1965 C GLY A 128 8.562 40.931 -9.022 1.00 23.18 C ATOM 1966 O GLY A 128 9.576 41.238 -8.393 1.00 22.97 O ATOM 1967 HA3 GLY A 128 9.312 41.671 -10.875 1.00 0.00 H ATOM 1968 HA2 GLY A 128 8.785 39.972 -10.913 1.00 0.00 H ATOM 1969 H GLY A 128 6.701 40.687 -11.642 1.00 0.00 H ATOM 1970 N MET A 129 7.430 40.555 -8.431 1.00 23.94 N ATOM 1971 CA MET A 129 7.305 40.511 -6.973 1.00 24.30 C ATOM 1972 C MET A 129 7.859 39.192 -6.417 1.00 24.43 C ATOM 1973 O MET A 129 8.548 39.178 -5.392 1.00 24.55 O ATOM 1974 CB MET A 129 5.846 40.704 -6.548 1.00 24.20 C ATOM 1975 CG MET A 129 5.212 41.992 -7.046 1.00 23.94 C ATOM 1976 SD MET A 129 3.408 41.937 -6.934 1.00 24.44 S ATOM 1977 CE MET A 129 3.142 42.205 -5.191 1.00 22.36 C ATOM 1978 HA MET A 129 7.894 41.329 -6.559 1.00 0.00 H ATOM 1979 OXT MET A 129 7.621 38.117 -6.990 1.00 24.69 O ATOM 1980 HB2 MET A 129 5.265 39.866 -6.933 1.00 0.00 H ATOM 1981 HB3 MET A 129 5.805 40.702 -5.459 1.00 0.00 H ATOM 1982 HG2 MET A 129 5.497 42.147 -8.087 1.00 0.00 H ATOM 1983 HG3 MET A 129 5.578 42.823 -6.443 1.00 0.00 H ATOM 1984 HE1 MET A 129 3.631 41.413 -4.624 1.00 0.00 H ATOM 1985 HE2 MET A 129 3.560 43.170 -4.905 1.00 0.00 H ATOM 1986 HE3 MET A 129 2.072 42.195 -4.982 1.00 0.00 H ATOM 1987 H MET A 129 6.615 40.286 -9.019 1.00 0.00 H TER 1988 MET A 129 HETATM 1989 MG MG A 1 -20.850 42.834 -3.333 1.00 21.86 MG HETATM 1990 O HOH 2 -20.063 40.488 -2.590 1.00 15.85 O HETATM 1991 O HOH 3 -13.717 32.397 -12.125 1.00 14.03 O HETATM 1992 O HOH 4 0.974 37.725 3.787 1.00 13.64 O HETATM 1993 O HOH 5 -3.838 38.790 -14.629 1.00 19.67 O HETATM 1994 O HOH 6 -23.885 44.791 1.022 1.00 17.98 O HETATM 1995 O HOH 7 -20.324 46.702 3.256 1.00 29.48 O HETATM 1996 O HOH 8 -13.021 52.871 -17.338 1.00 23.19 O HETATM 1997 O HOH 9 -12.922 29.819 -11.392 1.00 24.14 O HETATM 1998 O HOH 10 -22.187 51.782 -4.041 1.00 21.04 O HETATM 1999 O HOH 11 -8.285 25.632 5.367 1.00 23.65 O HETATM 2000 O HOH 12 -12.183 40.333 -2.369 1.00 21.22 O HETATM 2001 O HOH 13 -14.204 39.693 -3.799 1.00 14.26 O HETATM 2002 O HOH 14 -23.120 42.446 -3.294 1.00 35.62 O HETATM 2003 O HOH 15 7.264 39.935 -3.177 1.00 30.17 O HETATM 2004 O HOH 16 -20.094 37.182 -2.849 1.00 28.39 O HETATM 2005 O HOH 17 -21.990 38.733 -3.134 1.00 15.79 O HETATM 2006 O HOH 18 -7.589 38.268 -15.223 1.00 14.61 O HETATM 2007 O HOH 19 -6.859 37.560 -20.329 1.00 18.26 O HETATM 2008 O HOH 20 -3.374 40.544 -24.521 1.00 22.22 O HETATM 2009 N ALA A 21 -26.045 36.758 -23.771 1.00 0.24 N HETATM 2010 CA ALA A 21 -24.695 36.881 -24.353 1.00 0.06 C HETATM 2011 C ALA A 21 -24.104 38.289 -24.143 1.00 0.23 C HETATM 2012 O ALA A 21 -22.960 38.530 -24.526 1.00 -0.39 O HETATM 2013 N ALA A 21 -24.860 39.238 -23.525 1.00 -0.26 N HETATM 2014 CA ALA A 21 -24.238 40.493 -23.064 1.00 0.12 C HETATM 2015 C ALA A 21 -23.450 40.202 -21.799 1.00 0.20 C HETATM 2016 O ALA A 21 -22.601 40.996 -21.378 1.00 -0.39 O HETATM 2017 N ALA A 21 -23.730 39.037 -21.214 1.00 -0.26 N HETATM 2018 CA ALA A 21 -23.072 38.571 -19.998 1.00 0.13 C HETATM 2019 C ALA A 21 -22.089 37.439 -20.322 1.00 0.20 C HETATM 2020 O ALA A 21 -22.295 36.643 -21.253 1.00 -0.39 O HETATM 2021 N ALA A 21 -20.949 37.465 -19.575 1.00 -0.26 N HETATM 2022 CA ALA A 21 -20.011 36.345 -19.581 1.00 0.13 C HETATM 2023 C ALA A 21 -20.404 35.345 -18.466 1.00 0.20 C HETATM 2024 O ALA A 21 -20.860 35.752 -17.391 1.00 -0.39 O HETATM 2025 N ALA A 21 -20.249 34.048 -18.731 1.00 -0.26 N HETATM 2026 CA ALA A 21 -20.675 33.012 -17.773 1.00 0.13 C HETATM 2027 C ALA A 21 -19.525 32.122 -17.260 1.00 0.20 C HETATM 2028 O ALA A 21 -19.762 31.137 -16.542 1.00 -0.39 O HETATM 2029 N ALA A 21 -18.290 32.471 -17.627 1.00 -0.26 N HETATM 2030 CA ALA A 21 -17.122 31.677 -17.265 1.00 0.15 C HETATM 2031 C ALA A 21 -15.865 32.530 -17.197 1.00 0.21 C HETATM 2032 O ALA A 21 -15.790 33.608 -17.810 1.00 -0.39 O HETATM 2033 N ALA A 21 -14.869 32.027 -16.464 1.00 -0.26 N HETATM 2034 CA ALA A 21 -13.545 32.643 -16.408 1.00 0.13 C HETATM 2035 C ALA A 21 -12.875 32.708 -17.778 1.00 0.20 C HETATM 2036 O ALA A 21 -12.326 33.748 -18.158 1.00 -0.39 O HETATM 2037 N ALA A 21 -12.929 31.600 -18.518 1.00 -0.26 N HETATM 2038 CA ALA A 21 -12.334 31.540 -19.848 1.00 0.14 C HETATM 2039 C ALA A 21 -12.889 32.639 -20.760 1.00 0.21 C HETATM 2040 O ALA A 21 -12.132 33.325 -21.439 1.00 -0.39 O HETATM 2041 N ALA A 21 -14.207 32.815 -20.746 1.00 -0.26 N HETATM 2042 CA ALA A 21 -14.839 33.903 -21.479 1.00 0.13 C HETATM 2043 C ALA A 21 -14.265 35.278 -21.099 1.00 0.20 C HETATM 2044 O ALA A 21 -13.982 36.083 -21.969 1.00 -0.39 O HETATM 2045 N ALA A 21 -14.077 35.529 -19.801 1.00 -0.26 N HETATM 2046 CA ALA A 21 -13.464 36.789 -19.328 1.00 0.13 C HETATM 2047 C ALA A 21 -12.017 36.918 -19.812 1.00 0.20 C HETATM 2048 O ALA A 21 -11.609 37.972 -20.301 1.00 -0.39 O HETATM 2049 N ALA A 21 -11.257 35.831 -19.670 1.00 -0.26 N HETATM 2050 CA ALA A 21 -9.871 35.774 -20.124 1.00 0.14 C HETATM 2051 C ALA A 21 -9.778 36.034 -21.621 1.00 0.21 C HETATM 2052 O ALA A 21 -8.949 36.816 -22.071 1.00 -0.39 O HETATM 2053 N ALA A 21 -10.630 35.375 -22.388 1.00 -0.26 N HETATM 2054 CA ALA A 21 -10.636 35.553 -23.830 1.00 0.14 C HETATM 2055 C ALA A 21 -10.978 37.008 -24.189 1.00 0.21 C HETATM 2056 O ALA A 21 -10.322 37.623 -25.028 1.00 -0.39 O HETATM 2057 N ALA A 21 -11.985 37.558 -23.510 1.00 -0.26 N HETATM 2058 CA ALA A 21 -12.372 38.943 -23.704 1.00 0.13 C HETATM 2059 C ALA A 21 -11.176 39.884 -23.473 1.00 0.20 C HETATM 2060 O ALA A 21 -10.739 40.577 -24.405 1.00 -0.39 O HETATM 2061 N ALA A 21 -10.647 39.891 -22.241 1.00 -0.26 N HETATM 2062 CA ALA A 21 -9.520 40.759 -21.896 1.00 0.13 C HETATM 2063 C ALA A 21 -8.328 40.567 -22.834 1.00 0.20 C HETATM 2064 O ALA A 21 -7.665 41.534 -23.212 1.00 -0.39 O HETATM 2065 N ALA A 21 -8.077 39.320 -23.222 1.00 -0.26 N HETATM 2066 CA ALA A 21 -7.011 38.996 -24.182 1.00 0.14 C HETATM 2067 C ALA A 21 -7.255 39.643 -25.539 1.00 0.21 C HETATM 2068 O ALA A 21 -6.356 40.268 -26.099 1.00 -0.39 O HETATM 2069 N ALA A 21 -8.486 39.499 -26.046 1.00 -0.26 N HETATM 2070 CA ALA A 21 -8.860 40.018 -27.367 1.00 0.15 C HETATM 2071 C ALA A 21 -8.703 41.529 -27.480 1.00 0.21 C HETATM 2072 O ALA A 21 -8.723 42.076 -28.579 1.00 -0.39 O HETATM 2073 N ALA A 21 -8.532 42.196 -26.343 1.00 -0.26 N HETATM 2074 CA ALA A 21 -8.491 43.656 -26.324 1.00 0.13 C HETATM 2075 C ALA A 21 -7.147 44.228 -25.888 1.00 0.20 C HETATM 2076 O ALA A 21 -7.020 45.434 -25.698 1.00 -0.39 O HETATM 2077 N ALA A 21 -6.144 43.366 -25.747 1.00 -0.27 N HETATM 2078 CA ALA A 21 -4.788 43.811 -25.408 1.00 0.12 C HETATM 2079 C ALA A 21 -4.531 43.948 -23.909 1.00 0.20 C HETATM 2080 O ALA A 21 -3.623 44.675 -23.495 1.00 -0.39 O HETATM 2081 N ALA A 21 -5.322 43.243 -23.095 1.00 -0.27 N HETATM 2082 CA ALA A 21 -5.127 43.237 -21.646 1.00 0.10 C HETATM 2083 C ALA A 21 -4.586 41.910 -21.132 1.00 0.06 C HETATM 2084 O ALA A 21 -4.499 41.697 -19.919 1.00 -0.57 O HETATM 2085 OXT ALA A 21 -4.218 41.016 -21.903 1.00 -0.57 O HETATM 2086 CB ALA A 21 -6.428 43.593 -20.929 1.00 0.02 C HETATM 2087 CG ALA A 21 -6.968 44.943 -21.314 1.00 -0.04 C HETATM 2088 CD1 ALA A 21 -8.055 45.047 -22.198 1.00 -0.06 C HETATM 2089 CE1 ALA A 21 -8.541 46.293 -22.577 1.00 -0.07 C HETATM 2090 CZ ALA A 21 -7.941 47.459 -22.073 1.00 -0.07 C HETATM 2091 CE2 ALA A 21 -6.856 47.370 -21.198 1.00 -0.07 C HETATM 2092 CD2 ALA A 21 -6.370 46.117 -20.826 1.00 -0.06 C HETATM 2093 H126 ALA A 21 -5.522 46.048 -20.154 1.00 0.06 H HETATM 2094 H128 ALA A 21 -6.394 48.271 -20.810 1.00 0.06 H HETATM 2095 H129 ALA A 21 -8.322 48.431 -22.364 1.00 0.06 H HETATM 2096 H127 ALA A 21 -9.380 46.365 -23.259 1.00 0.06 H HETATM 2097 H125 ALA A 21 -8.519 44.148 -22.588 1.00 0.06 H HETATM 2098 H123 ALA A 21 -6.242 43.587 -19.845 1.00 0.05 H HETATM 2099 H124 ALA A 21 -7.183 42.832 -21.176 1.00 0.05 H HETATM 2100 H122 ALA A 21 -4.385 44.013 -21.408 1.00 0.07 H HETATM 2101 H121 ALA A 21 -6.068 42.705 -23.488 1.00 0.19 H HETATM 2102 H119 ALA A 21 -4.619 44.791 -25.878 1.00 0.08 H HETATM 2103 H120 ALA A 21 -4.073 43.081 -25.815 1.00 0.08 H HETATM 2104 H118 ALA A 21 -6.319 42.390 -25.875 1.00 0.19 H HETATM 2105 CB ALA A 21 -9.620 44.217 -25.455 1.00 -0.01 C HETATM 2106 CG ALA A 21 -11.040 44.046 -25.992 1.00 -0.04 C HETATM 2107 CD1 ALA A 21 -12.073 44.255 -24.889 1.00 -0.06 C HETATM 2108 H112 ALA A 21 -13.084 44.126 -25.304 1.00 0.02 H HETATM 2109 H113 ALA A 21 -11.972 45.271 -24.480 1.00 0.02 H HETATM 2110 H114 ALA A 21 -11.909 43.519 -24.088 1.00 0.02 H HETATM 2111 CD2 ALA A 21 -11.294 44.979 -27.188 1.00 -0.06 C HETATM 2112 H115 ALA A 21 -10.532 44.800 -27.961 1.00 0.02 H HETATM 2113 H116 ALA A 21 -11.239 46.026 -26.855 1.00 0.02 H HETATM 2114 H117 ALA A 21 -12.292 44.778 -27.604 1.00 0.02 H HETATM 2115 H111 ALA A 21 -11.140 43.011 -26.350 1.00 0.03 H HETATM 2116 H109 ALA A 21 -9.439 45.294 -25.325 1.00 0.03 H HETATM 2117 H110 ALA A 21 -9.570 43.716 -24.477 1.00 0.03 H HETATM 2118 H108 ALA A 21 -8.665 43.995 -27.356 1.00 0.08 H HETATM 2119 H107 ALA A 21 -8.430 41.690 -25.487 1.00 0.19 H HETATM 2120 CB ALA A 21 -10.307 39.608 -27.732 1.00 0.08 C HETATM 2121 OG ALA A 21 -11.272 40.482 -27.146 1.00 -0.39 O HETATM 2122 H106 ALA A 21 -11.185 40.459 -26.200 1.00 0.21 H HETATM 2123 H104 ALA A 21 -10.489 38.585 -27.371 1.00 0.06 H HETATM 2124 H105 ALA A 21 -10.419 39.636 -28.826 1.00 0.06 H HETATM 2125 H103 ALA A 21 -8.183 39.559 -28.102 1.00 0.08 H HETATM 2126 H102 ALA A 21 -9.177 39.020 -25.504 1.00 0.19 H HETATM 2127 CB ALA A 21 -6.893 37.480 -24.356 1.00 0.04 C HETATM 2128 CG ALA A 21 -5.521 37.048 -24.834 1.00 0.04 C HETATM 2129 OD1 ALA A 21 -4.645 37.915 -25.080 1.00 -0.57 O HETATM 2130 OD2 ALA A 21 -5.308 35.820 -24.948 1.00 -0.57 O HETATM 2131 H100 ALA A 21 -7.641 37.152 -25.093 1.00 0.05 H HETATM 2132 H101 ALA A 21 -7.096 36.998 -23.388 1.00 0.05 H HETATM 2133 H99 ALA A 21 -6.061 39.379 -23.781 1.00 0.08 H HETATM 2134 H98 ALA A 21 -8.632 38.577 -22.848 1.00 0.19 H HETATM 2135 CB ALA A 21 -9.101 40.574 -20.425 1.00 -0.01 C HETATM 2136 CG ALA A 21 -10.086 41.105 -19.359 1.00 -0.04 C HETATM 2137 CD1 ALA A 21 -9.511 40.996 -17.953 1.00 -0.06 C HETATM 2138 H92 ALA A 21 -10.241 41.383 -17.227 1.00 0.02 H HETATM 2139 H93 ALA A 21 -8.584 41.584 -17.890 1.00 0.02 H HETATM 2140 H94 ALA A 21 -9.293 39.942 -17.727 1.00 0.02 H HETATM 2141 CD2 ALA A 21 -10.496 42.539 -19.672 1.00 -0.06 C HETATM 2142 H95 ALA A 21 -10.907 42.589 -20.691 1.00 0.02 H HETATM 2143 H96 ALA A 21 -9.617 43.196 -19.599 1.00 0.02 H HETATM 2144 H97 ALA A 21 -11.260 42.867 -18.952 1.00 0.02 H HETATM 2145 H91 ALA A 21 -10.990 40.480 -19.398 1.00 0.03 H HETATM 2146 H89 ALA A 21 -8.142 41.093 -20.282 1.00 0.03 H HETATM 2147 H90 ALA A 21 -8.965 39.497 -20.248 1.00 0.03 H HETATM 2148 H88 ALA A 21 -9.863 41.798 -22.013 1.00 0.08 H HETATM 2149 H87 ALA A 21 -11.031 39.289 -21.541 1.00 0.19 H HETATM 2150 CB ALA A 21 -13.543 39.321 -22.775 1.00 -0.01 C HETATM 2151 CG ALA A 21 -14.552 40.395 -23.242 1.00 -0.04 C HETATM 2152 CD1 ALA A 21 -15.091 41.190 -22.049 1.00 -0.06 C HETATM 2153 H81 ALA A 21 -15.806 41.947 -22.405 1.00 0.02 H HETATM 2154 H82 ALA A 21 -14.257 41.688 -21.533 1.00 0.02 H HETATM 2155 H83 ALA A 21 -15.598 40.507 -21.352 1.00 0.02 H HETATM 2156 CD2 ALA A 21 -14.003 41.332 -24.315 1.00 -0.06 C HETATM 2157 H84 ALA A 21 -13.623 40.739 -25.160 1.00 0.02 H HETATM 2158 H85 ALA A 21 -13.185 41.934 -23.892 1.00 0.02 H HETATM 2159 H86 ALA A 21 -14.805 41.998 -24.666 1.00 0.02 H HETATM 2160 H80 ALA A 21 -15.401 39.860 -23.692 1.00 0.03 H HETATM 2161 H78 ALA A 21 -13.104 39.679 -21.832 1.00 0.03 H HETATM 2162 H79 ALA A 21 -14.116 38.401 -22.587 1.00 0.03 H HETATM 2163 H77 ALA A 21 -12.707 39.062 -24.745 1.00 0.08 H HETATM 2164 H76 ALA A 21 -12.487 37.001 -22.849 1.00 0.19 H HETATM 2165 CB ALA A 21 -11.616 34.576 -24.490 1.00 0.04 C HETATM 2166 CG ALA A 21 -11.432 34.496 -25.980 1.00 0.04 C HETATM 2167 OD1 ALA A 21 -12.210 35.148 -26.709 1.00 -0.57 O HETATM 2168 OD2 ALA A 21 -10.495 33.801 -26.429 1.00 -0.57 O HETATM 2169 H74 ALA A 21 -12.643 34.909 -24.279 1.00 0.05 H HETATM 2170 H75 ALA A 21 -11.460 33.575 -24.061 1.00 0.05 H HETATM 2171 H73 ALA A 21 -9.627 35.334 -24.209 1.00 0.08 H HETATM 2172 H72 ALA A 21 -11.282 34.743 -21.968 1.00 0.19 H HETATM 2173 CB ALA A 21 -9.251 34.408 -19.802 1.00 0.04 C HETATM 2174 CG ALA A 21 -9.079 34.176 -18.313 1.00 0.04 C HETATM 2175 OD1 ALA A 21 -9.434 35.076 -17.509 1.00 -0.57 O HETATM 2176 OD2 ALA A 21 -8.575 33.086 -17.945 1.00 -0.57 O HETATM 2177 H70 ALA A 21 -8.264 34.348 -20.283 1.00 0.05 H HETATM 2178 H71 ALA A 21 -9.905 33.621 -20.207 1.00 0.05 H HETATM 2179 H69 ALA A 21 -9.301 36.553 -19.596 1.00 0.08 H HETATM 2180 H68 ALA A 21 -11.653 35.022 -19.235 1.00 0.19 H HETATM 2181 CB ALA A 21 -13.505 36.915 -17.759 1.00 -0.01 C HETATM 2182 CG1 ALA A 21 -12.838 38.228 -17.293 1.00 -0.06 C HETATM 2183 H62 ALA A 21 -12.880 38.291 -16.196 1.00 0.02 H HETATM 2184 H63 ALA A 21 -13.371 39.085 -17.730 1.00 0.02 H HETATM 2185 H64 ALA A 21 -11.788 38.243 -17.621 1.00 0.02 H HETATM 2186 CG2 ALA A 21 -14.925 36.845 -17.264 1.00 -0.06 C HETATM 2187 H65 ALA A 21 -15.386 35.906 -17.604 1.00 0.02 H HETATM 2188 H66 ALA A 21 -15.495 37.698 -17.662 1.00 0.02 H HETATM 2189 H67 ALA A 21 -14.932 36.880 -16.165 1.00 0.02 H HETATM 2190 H61 ALA A 21 -12.945 36.071 -17.330 1.00 0.03 H HETATM 2191 H60 ALA A 21 -14.044 37.622 -19.752 1.00 0.08 H HETATM 2192 H59 ALA A 21 -14.359 34.844 -19.129 1.00 0.19 H HETATM 2193 CB ALA A 21 -16.357 33.872 -21.291 1.00 0.00 C HETATM 2194 CG ALA A 21 -17.084 32.816 -22.127 1.00 0.04 C HETATM 2195 CD ALA A 21 -18.599 32.792 -21.884 1.00 0.17 C HETATM 2196 OE1 ALA A 21 -19.140 33.637 -21.157 1.00 -0.40 O HETATM 2197 NE2 ALA A 21 -19.287 31.824 -22.509 1.00 -0.30 N HETATM 2198 H57 ALA A 21 -20.278 31.758 -22.389 1.00 0.18 H HETATM 2199 H58 ALA A 21 -18.809 31.169 -23.095 1.00 0.18 H HETATM 2200 H55 ALA A 21 -16.674 31.827 -21.875 1.00 0.05 H HETATM 2201 H56 ALA A 21 -16.904 33.028 -23.191 1.00 0.05 H HETATM 2202 H53 ALA A 21 -16.756 34.860 -21.564 1.00 0.03 H HETATM 2203 H54 ALA A 21 -16.567 33.673 -20.230 1.00 0.03 H HETATM 2204 H52 ALA A 21 -14.631 33.745 -22.547 1.00 0.08 H HETATM 2205 H51 ALA A 21 -14.778 32.185 -20.219 1.00 0.19 H HETATM 2206 CB ALA A 21 -12.514 30.146 -20.479 1.00 0.04 C HETATM 2207 CG ALA A 21 -11.439 29.146 -20.002 1.00 0.04 C HETATM 2208 OD1 ALA A 21 -10.809 29.386 -18.945 1.00 -0.57 O HETATM 2209 OD2 ALA A 21 -11.226 28.114 -20.684 1.00 -0.57 O HETATM 2210 H49 ALA A 21 -12.448 30.241 -21.573 1.00 0.05 H HETATM 2211 H50 ALA A 21 -13.506 29.758 -20.203 1.00 0.05 H HETATM 2212 H48 ALA A 21 -11.254 31.716 -19.736 1.00 0.08 H HETATM 2213 H47 ALA A 21 -13.389 30.791 -18.152 1.00 0.19 H HETATM 2214 CB ALA A 21 -12.639 31.908 -15.415 1.00 0.00 C HETATM 2215 CG ALA A 21 -11.376 32.699 -15.052 1.00 0.04 C HETATM 2216 CD ALA A 21 -11.682 34.148 -14.635 1.00 0.17 C HETATM 2217 OE1 ALA A 21 -12.524 34.388 -13.770 1.00 -0.40 O HETATM 2218 NE2 ALA A 21 -10.994 35.114 -15.261 1.00 -0.30 N HETATM 2219 H45 ALA A 21 -11.154 36.073 -15.028 1.00 0.18 H HETATM 2220 H46 ALA A 21 -10.321 34.875 -15.961 1.00 0.18 H HETATM 2221 H43 ALA A 21 -10.709 32.718 -15.927 1.00 0.05 H HETATM 2222 H44 ALA A 21 -10.871 32.192 -14.217 1.00 0.05 H HETATM 2223 H41 ALA A 21 -12.335 30.950 -15.861 1.00 0.03 H HETATM 2224 H42 ALA A 21 -13.210 31.719 -14.494 1.00 0.03 H HETATM 2225 H40 ALA A 21 -13.675 33.675 -16.050 1.00 0.08 H HETATM 2226 H39 ALA A 21 -15.035 31.196 -15.933 1.00 0.19 H HETATM 2227 CB ALA A 21 -16.910 30.559 -18.280 1.00 0.08 C HETATM 2228 OG ALA A 21 -16.168 31.040 -19.414 1.00 -0.39 O HETATM 2229 H38 ALA A 21 -16.046 30.331 -20.035 1.00 0.21 H HETATM 2230 H36 ALA A 21 -17.889 30.188 -18.619 1.00 0.06 H HETATM 2231 H37 ALA A 21 -16.352 29.739 -17.804 1.00 0.06 H HETATM 2232 H35 ALA A 21 -17.298 31.231 -16.275 1.00 0.08 H HETATM 2233 H34 ALA A 21 -18.162 33.303 -18.167 1.00 0.19 H HETATM 2234 CB ALA A 21 -21.781 32.158 -18.377 1.00 -0.02 C HETATM 2235 H31 ALA A 21 -22.089 31.390 -17.652 1.00 0.03 H HETATM 2236 H32 ALA A 21 -21.411 31.672 -19.291 1.00 0.03 H HETATM 2237 H33 ALA A 21 -22.643 32.795 -18.624 1.00 0.03 H HETATM 2238 H30 ALA A 21 -21.093 33.533 -16.899 1.00 0.08 H HETATM 2239 H29 ALA A 21 -19.835 33.772 -19.598 1.00 0.19 H HETATM 2240 CB ALA A 21 -18.545 36.841 -19.377 1.00 -0.01 C HETATM 2241 CG1 ALA A 21 -17.577 35.687 -19.493 1.00 -0.06 C HETATM 2242 H23 ALA A 21 -16.550 36.054 -19.347 1.00 0.02 H HETATM 2243 H24 ALA A 21 -17.666 35.233 -20.491 1.00 0.02 H HETATM 2244 H25 ALA A 21 -17.810 34.934 -18.726 1.00 0.02 H HETATM 2245 CG2 ALA A 21 -18.193 37.921 -20.399 1.00 -0.06 C HETATM 2246 H26 ALA A 21 -18.902 38.757 -20.308 1.00 0.02 H HETATM 2247 H27 ALA A 21 -18.252 37.499 -21.413 1.00 0.02 H HETATM 2248 H28 ALA A 21 -17.172 38.284 -20.212 1.00 0.02 H HETATM 2249 H22 ALA A 21 -18.460 37.272 -18.368 1.00 0.03 H HETATM 2250 H21 ALA A 21 -20.075 35.836 -20.554 1.00 0.08 H HETATM 2251 H20 ALA A 21 -20.751 38.267 -19.012 1.00 0.19 H HETATM 2252 CB ALA A 21 -24.091 38.042 -18.972 1.00 -0.01 C HETATM 2253 CG1 ALA A 21 -23.376 37.450 -17.767 1.00 -0.06 C HETATM 2254 H14 ALA A 21 -24.119 37.078 -17.046 1.00 0.02 H HETATM 2255 H15 ALA A 21 -22.758 38.225 -17.290 1.00 0.02 H HETATM 2256 H16 ALA A 21 -22.734 36.619 -18.093 1.00 0.02 H HETATM 2257 CG2 ALA A 21 -25.042 39.151 -18.545 1.00 -0.06 C HETATM 2258 H17 ALA A 21 -25.547 39.563 -19.431 1.00 0.02 H HETATM 2259 H18 ALA A 21 -24.474 39.948 -18.043 1.00 0.02 H HETATM 2260 H19 ALA A 21 -25.793 38.744 -17.852 1.00 0.02 H HETATM 2261 H13 ALA A 21 -24.681 37.246 -19.449 1.00 0.03 H HETATM 2262 H12 ALA A 21 -22.521 39.413 -19.554 1.00 0.08 H HETATM 2263 H11 ALA A 21 -24.427 38.453 -21.630 1.00 0.19 H HETATM 2264 H9 ALA A 21 -25.019 41.238 -22.852 1.00 0.08 H HETATM 2265 H10 ALA A 21 -23.563 40.880 -23.841 1.00 0.08 H HETATM 2266 H8 ALA A 21 -25.838 39.084 -23.384 1.00 0.19 H HETATM 2267 CB ALA A 21 -24.719 36.555 -25.847 1.00 -0.00 C HETATM 2268 H5 ALA A 21 -23.704 36.653 -26.260 1.00 0.03 H HETATM 2269 H6 ALA A 21 -25.394 37.253 -26.364 1.00 0.03 H HETATM 2270 H7 ALA A 21 -25.076 35.525 -25.992 1.00 0.03 H HETATM 2271 H4 ALA A 21 -24.041 36.155 -23.849 1.00 0.11 H HETATM 2272 H1 ALA A 21 -26.395 35.826 -23.929 1.00 0.20 H HETATM 2273 H2 ALA A 21 -26.661 37.427 -24.206 1.00 0.20 H HETATM 2274 H3 ALA A 21 -26.001 36.937 -22.780 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 192 191 1989 CONECT 876 874 1989 CONECT 908 907 1989 CONECT 1989 192 876 908 CONECT 2009 2010 2272 2273 2274 CONECT 2010 2009 2011 2267 2271 CONECT 2011 2010 2012 2013 CONECT 2012 2011 CONECT 2013 2011 2014 2266 CONECT 2014 2013 2015 2264 2265 CONECT 2015 2014 2016 2017 CONECT 2016 2015 CONECT 2017 2015 2018 2263 CONECT 2018 2017 2019 2252 2262 CONECT 2019 2018 2020 2021 CONECT 2020 2019 CONECT 2021 2019 2022 2251 CONECT 2022 2021 2023 2240 2250 CONECT 2023 2022 2024 2025 CONECT 2024 2023 CONECT 2025 2023 2026 2239 CONECT 2026 2025 2027 2234 2238 CONECT 2027 2026 2028 2029 CONECT 2028 2027 CONECT 2029 2027 2030 2233 CONECT 2030 2029 2031 2227 2232 CONECT 2031 2030 2032 2033 CONECT 2032 2031 CONECT 2033 2031 2034 2226 CONECT 2034 2033 2035 2214 2225 CONECT 2035 2034 2036 2037 CONECT 2036 2035 CONECT 2037 2035 2038 2213 CONECT 2038 2037 2039 2206 2212 CONECT 2039 2038 2040 2041 CONECT 2040 2039 CONECT 2041 2039 2042 2205 CONECT 2042 2041 2043 2193 2204 CONECT 2043 2042 2044 2045 CONECT 2044 2043 CONECT 2045 2043 2046 2192 CONECT 2046 2045 2047 2181 2191 CONECT 2047 2046 2048 2049 CONECT 2048 2047 CONECT 2049 2047 2050 2180 CONECT 2050 2049 2051 2173 2179 CONECT 2051 2050 2052 2053 CONECT 2052 2051 CONECT 2053 2051 2054 2172 CONECT 2054 2053 2055 2165 2171 CONECT 2055 2054 2056 2057 CONECT 2056 2055 CONECT 2057 2055 2058 2164 CONECT 2058 2057 2059 2150 2163 CONECT 2059 2058 2060 2061 CONECT 2060 2059 CONECT 2061 2059 2062 2149 CONECT 2062 2061 2063 2135 2148 CONECT 2063 2062 2064 2065 CONECT 2064 2063 CONECT 2065 2063 2066 2134 CONECT 2066 2065 2067 2127 2133 CONECT 2067 2066 2068 2069 CONECT 2068 2067 CONECT 2069 2067 2070 2126 CONECT 2070 2069 2071 2120 2125 CONECT 2071 2070 2072 2073 CONECT 2072 2071 CONECT 2073 2071 2074 2119 CONECT 2074 2073 2075 2105 2118 CONECT 2075 2074 2076 2077 CONECT 2076 2075 CONECT 2077 2075 2078 2104 CONECT 2078 2077 2079 2102 2103 CONECT 2079 2078 2080 2081 CONECT 2080 2079 CONECT 2081 2079 2082 2101 CONECT 2082 2081 2083 2086 2100 CONECT 2083 2082 2084 2085 CONECT 2084 2083 CONECT 2085 2083 CONECT 2086 2082 2087 2098 2099 CONECT 2087 2086 2088 2092 CONECT 2088 2087 2089 2097 CONECT 2089 2088 2090 2096 CONECT 2090 2089 2091 2095 CONECT 2091 2090 2092 2094 CONECT 2092 2087 2091 2093 CONECT 2093 2092 CONECT 2094 2091 CONECT 2095 2090 CONECT 2096 2089 CONECT 2097 2088 CONECT 2098 2086 CONECT 2099 2086 CONECT 2100 2082 CONECT 2101 2081 CONECT 2102 2078 CONECT 2103 2078 CONECT 2104 2077 CONECT 2105 2074 2106 2116 2117 CONECT 2106 2105 2107 2111 2115 CONECT 2107 2106 2108 2109 2110 CONECT 2108 2107 CONECT 2109 2107 CONECT 2110 2107 CONECT 2111 2106 2112 2113 2114 CONECT 2112 2111 CONECT 2113 2111 CONECT 2114 2111 CONECT 2115 2106 CONECT 2116 2105 CONECT 2117 2105 CONECT 2118 2074 CONECT 2119 2073 CONECT 2120 2070 2121 2123 2124 CONECT 2121 2120 2122 CONECT 2122 2121 CONECT 2123 2120 CONECT 2124 2120 CONECT 2125 2070 CONECT 2126 2069 CONECT 2127 2066 2128 2131 2132 CONECT 2128 2127 2129 2130 CONECT 2129 2128 CONECT 2130 2128 CONECT 2131 2127 CONECT 2132 2127 CONECT 2133 2066 CONECT 2134 2065 CONECT 2135 2062 2136 2146 2147 CONECT 2136 2135 2137 2141 2145 CONECT 2137 2136 2138 2139 2140 CONECT 2138 2137 CONECT 2139 2137 CONECT 2140 2137 CONECT 2141 2136 2142 2143 2144 CONECT 2142 2141 CONECT 2143 2141 CONECT 2144 2141 CONECT 2145 2136 CONECT 2146 2135 CONECT 2147 2135 CONECT 2148 2062 CONECT 2149 2061 CONECT 2150 2058 2151 2161 2162 CONECT 2151 2150 2152 2156 2160 CONECT 2152 2151 2153 2154 2155 CONECT 2153 2152 CONECT 2154 2152 CONECT 2155 2152 CONECT 2156 2151 2157 2158 2159 CONECT 2157 2156 CONECT 2158 2156 CONECT 2159 2156 CONECT 2160 2151 CONECT 2161 2150 CONECT 2162 2150 CONECT 2163 2058 CONECT 2164 2057 CONECT 2165 2054 2166 2169 2170 CONECT 2166 2165 2167 2168 CONECT 2167 2166 CONECT 2168 2166 CONECT 2169 2165 CONECT 2170 2165 CONECT 2171 2054 CONECT 2172 2053 CONECT 2173 2050 2174 2177 2178 CONECT 2174 2173 2175 2176 CONECT 2175 2174 CONECT 2176 2174 CONECT 2177 2173 CONECT 2178 2173 CONECT 2179 2050 CONECT 2180 2049 CONECT 2181 2046 2182 2186 2190 CONECT 2182 2181 2183 2184 2185 CONECT 2183 2182 CONECT 2184 2182 CONECT 2185 2182 CONECT 2186 2181 2187 2188 2189 CONECT 2187 2186 CONECT 2188 2186 CONECT 2189 2186 CONECT 2190 2181 CONECT 2191 2046 CONECT 2192 2045 CONECT 2193 2042 2194 2202 2203 CONECT 2194 2193 2195 2200 2201 CONECT 2195 2194 2196 2197 CONECT 2196 2195 CONECT 2197 2195 2198 2199 CONECT 2198 2197 CONECT 2199 2197 CONECT 2200 2194 CONECT 2201 2194 CONECT 2202 2193 CONECT 2203 2193 CONECT 2204 2042 CONECT 2205 2041 CONECT 2206 2038 2207 2210 2211 CONECT 2207 2206 2208 2209 CONECT 2208 2207 CONECT 2209 2207 CONECT 2210 2206 CONECT 2211 2206 CONECT 2212 2038 CONECT 2213 2037 CONECT 2214 2034 2215 2223 2224 CONECT 2215 2214 2216 2221 2222 CONECT 2216 2215 2217 2218 CONECT 2217 2216 CONECT 2218 2216 2219 2220 CONECT 2219 2218 CONECT 2220 2218 CONECT 2221 2215 CONECT 2222 2215 CONECT 2223 2214 CONECT 2224 2214 CONECT 2225 2034 CONECT 2226 2033 CONECT 2227 2030 2228 2230 2231 CONECT 2228 2227 2229 CONECT 2229 2228 CONECT 2230 2227 CONECT 2231 2227 CONECT 2232 2030 CONECT 2233 2029 CONECT 2234 2026 2235 2236 2237 CONECT 2235 2234 CONECT 2236 2234 CONECT 2237 2234 CONECT 2238 2026 CONECT 2239 2025 CONECT 2240 2022 2241 2245 2249 CONECT 2241 2240 2242 2243 2244 CONECT 2242 2241 CONECT 2243 2241 CONECT 2244 2241 CONECT 2245 2240 2246 2247 2248 CONECT 2246 2245 CONECT 2247 2245 CONECT 2248 2245 CONECT 2249 2240 CONECT 2250 2022 CONECT 2251 2021 CONECT 2252 2018 2253 2257 2261 CONECT 2253 2252 2254 2255 2256 CONECT 2254 2253 CONECT 2255 2253 CONECT 2256 2253 CONECT 2257 2252 2258 2259 2260 CONECT 2258 2257 CONECT 2259 2257 CONECT 2260 2257 CONECT 2261 2252 CONECT 2262 2018 CONECT 2263 2017 CONECT 2264 2014 CONECT 2265 2014 CONECT 2266 2013 CONECT 2267 2010 2268 2269 2270 CONECT 2268 2267 CONECT 2269 2267 CONECT 2270 2267 CONECT 2271 2010 CONECT 2272 2009 CONECT 2273 2009 CONECT 2274 2009 MASTER 0 0 0 0 0 0 0 0 2273 1 274 10 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 2pl9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2pmc
RCSB PDB
PDBbind
15aa, >2PMC_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1dva
RCSB PDB
PDBbind
19-mer
1idg
RCSB PDB
PDBbind
19-mer
1ilq
RCSB PDB
PDBbind
19-mer
1iwq
RCSB PDB
PDBbind
19-mer
1kat
RCSB PDB
PDBbind
19-mer
1lxh
RCSB PDB
PDBbind
19-mer
1oqp
RCSB PDB
PDBbind
19-mer
2asu
RCSB PDB
PDBbind
19-mer
2jqk
RCSB PDB
PDBbind
19-mer
2k7l
RCSB PDB
PDBbind
19-mer
2kup
RCSB PDB
PDBbind
19-mer
2llo
RCSB PDB
PDBbind
19-mer
2llq
RCSB PDB
PDBbind
19-mer
2nd0
RCSB PDB
PDBbind
19-mer
2rqu
RCSB PDB
PDBbind
19-mer
2yq6
RCSB PDB
PDBbind
19-mer
3bim
RCSB PDB
PDBbind
19-mer
3bl2
RCSB PDB
PDBbind
19-mer
3bu8
RCSB PDB
PDBbind
19-mer
3eu7
RCSB PDB
PDBbind
19-mer
3h52
RCSB PDB
PDBbind
19-mer
3plu
RCSB PDB
PDBbind
19-mer
3q6s
RCSB PDB
PDBbind
19-mer
3qnj
RCSB PDB
PDBbind
19-mer
3tiw
RCSB PDB
PDBbind
19-mer
3tzd
RCSB PDB
PDBbind
19-mer
3uvu
RCSB PDB
PDBbind
19-mer
3v2o
RCSB PDB
PDBbind
19-mer
3v7d
RCSB PDB
PDBbind
19-mer
3zha
RCSB PDB
PDBbind
19-mer
4a1w
RCSB PDB
PDBbind
19-mer
4bpi
RCSB PDB
PDBbind
19-mer
4bpj
RCSB PDB
PDBbind
19-mer
4hpy
RCSB PDB
PDBbind
19-mer
4j24
RCSB PDB
PDBbind
19-mer
4mzj
RCSB PDB
PDBbind
19-mer
4mzk
RCSB PDB
PDBbind
19-mer
4oyk
RCSB PDB
PDBbind
19-mer
4qxt
RCSB PDB
PDBbind
19-mer
4qy8
RCSB PDB
PDBbind
19-mer
4tkn
RCSB PDB
PDBbind
19-mer
4xek
RCSB PDB
PDBbind
19-mer
4xgz
RCSB PDB
PDBbind
19-mer
4z8m
RCSB PDB
PDBbind
19-mer
5bjt
RCSB PDB
PDBbind
19-mer
5ekg
RCSB PDB
PDBbind
19-mer
5f67
RCSB PDB
PDBbind
19-mer
5gmi
RCSB PDB
PDBbind
19-mer
5gmj
RCSB PDB
PDBbind
19-mer
5gow
RCSB PDB
PDBbind
19-mer
5jeo
RCSB PDB
PDBbind
19-mer
5jer
RCSB PDB
PDBbind
19-mer
5k6s
RCSB PDB
PDBbind
19-mer
5mav
RCSB PDB
PDBbind
19-mer
5nxq
RCSB PDB
PDBbind
19-mer
5uw5
RCSB PDB
PDBbind
19-mer
5uwp
RCSB PDB
PDBbind
19-mer
5v2p
RCSB PDB
PDBbind
19-mer
5v2q
RCSB PDB
PDBbind
19-mer
5ybe
RCSB PDB
PDBbind
19-mer
6bvb
RCSB PDB
PDBbind
19-mer
6fkq
RCSB PDB
PDBbind
19-mer
6mil
RCSB PDB
PDBbind
19-mer
6r8i
RCSB PDB
PDBbind
19-mer
6oie
RCSB PDB
PDBbind
19-mer
6h8c
RCSB PDB
PDBbind
19-mer
5v5o
RCSB PDB
PDBbind
19-mer
5j7j
RCSB PDB
PDBbind
19-mer
Entry Information
PDB ID
2pl9
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Chemotaxis protein cheY
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
Kd=67.4uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Bacteriol. Vol. 190: pp. 1419-1428
Ligand Properties
Formula
C
8
4
H
1
3
4
N
2
1
O
3
2
Molecular Weight
1950.080
Exact Mass
1948.950
No. of atoms
271
No. of bonds
271
Polar Surface Area
864.58
LOGP Value
-1.16 (
Computed with XLOGP3
)
-2.09 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 23
No. of Hydrogen Bond Acceptors: 32
No. of Rotatable Bonds: 79
No. of Nitrogen and Oxygen Atoms: 53
No. of Rings: 1
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccccc1)CC(C)C)CO)CC(=O)O)CC(C)C)CC(C)C)CC(=O)O)CC(=O)O)C(C)C)CCC(=O)N)CC(=O)O)CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]([NH3+])C)C
InChI String
InChI=1S/C84H133N21O32/c1-36(2)24-47(70(122)89-32-59(110)91-54(84(136)137)27-44-18-16-15-17-19-44)94-80(132)56(35-107)102-78(130)52(30-63(116)117)98-74(126)49(26-38(5)6)95-73(125)48(25-37(3)4)96-76(128)51(29-62(114)115)99-77(129)53(31-64(118)119)100-82(134)67(41(11)12)104-72(124)46(21-23-58(87)109)92-75(127)50(28-61(112)113)97-71(123)45(20-22-57(86)108)93-79(131)55(34-106)101-69(121)43(14)90-81(133)66(40(9)10)105-83(135)65(39(7)8)103-60(111)33-88-68(120)42(13)85/h15-19,36-43,45-56,65-67,106-107H,20-35,85H2,1-14H3,(H2,86,108)(H2,87,109)(H,88,120)(H,89,122)(H,90,133)(H,91,110)(H,92,127)(H,93,131)(H,94,132)(H,95,125)(H,96,128)(H,97,123)(H,98,126)(H,99,129)(H,100,134)(H,101,121)(H,102,130)(H,103,111)(H,104,124)(H,105,135)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,136,137)/p+1/t42-,43-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,65-,66-,67-/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):
P07800
P0A2D5
Entrez Gene ID
NCBI Entrez Gene ID:
1253436
1253437
61368937
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓