Browse entries in the PDBbind-CN Database
HEADER 1EJ4_COMPLEX COMPND 1EJ4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 174 GLU HIS TYR ILE LYS HIS PRO LEU GLN ASN ARG TRP ALA SEQRES 2 A 174 LEU TRP PHE PHE LYS ASN ASP LYS SER LYS THR TRP GLN SEQRES 3 A 174 ALA ASN LEU ARG LEU ILE SER LYS PHE ASP THR VAL GLU SEQRES 4 A 174 ASP PHE TRP ALA LEU TYR ASN HIS ILE GLN LEU SER SER SEQRES 5 A 174 ASN LEU MET PRO GLY CYS ASP TYR SER LEU PHE LYS ASP SEQRES 6 A 174 GLY ILE GLU PRO MET TRP GLU ASP GLU LYS ASN LYS ARG SEQRES 7 A 174 GLY GLY ARG TRP LEU ILE THR LEU ASN LYS GLN GLN ARG SEQRES 8 A 174 ARG SER ASP LEU ASP ARG PHE TRP LEU GLU THR LEU LEU SEQRES 9 A 174 CYS LEU ILE GLY GLU SER PHE ASP ASP TYR SER ASP ASP SEQRES 10 A 174 VAL CYS GLY ALA VAL VAL ASN VAL ARG ALA LYS GLY ASP SEQRES 11 A 174 LYS ILE ALA ILE TRP THR THR GLU CYS GLU ASN ARG ASP SEQRES 12 A 174 ALA VAL THR HIS ILE GLY ARG VAL TYR LYS GLU ARG LEU SEQRES 13 A 174 GLY LEU PRO PRO LYS ILE VAL ILE GLY TYR GLN SER HIS SEQRES 14 A 174 ALA ASP THR ALA THR SEQRES 1 A 5 ASN ARG PHE VAL VAL HET ARG A 265 252 ATOM 1 N GLU A 32 32.171 4.296 -3.414 1.00 35.09 N ATOM 2 CA GLU A 32 33.437 4.448 -4.183 1.00 33.56 C ATOM 3 C GLU A 32 33.144 4.809 -5.631 1.00 33.49 C ATOM 4 O GLU A 32 33.397 5.934 -6.055 1.00 33.95 O ATOM 5 CB GLU A 32 34.275 3.156 -4.123 1.00 33.81 C ATOM 6 HN3 GLU A 32 31.596 3.541 -3.840 1.00 0.00 H ATOM 7 HN2 GLU A 32 31.642 5.191 -3.438 1.00 0.00 H ATOM 8 HN1 GLU A 32 32.393 4.050 -2.428 1.00 0.00 H ATOM 9 N HIS A 33 32.610 3.876 -6.406 1.00 34.04 N ATOM 10 CA HIS A 33 32.350 4.210 -7.795 1.00 32.75 C ATOM 11 C HIS A 33 30.888 4.248 -8.212 1.00 30.92 C ATOM 12 O HIS A 33 30.561 4.317 -9.400 1.00 31.11 O ATOM 13 CB HIS A 33 33.191 3.321 -8.715 1.00 34.62 C ATOM 14 CG HIS A 33 34.664 3.582 -8.602 1.00 35.61 C ATOM 15 ND1 HIS A 33 35.189 4.857 -8.535 1.00 36.18 N ATOM 16 CD2 HIS A 33 35.725 2.740 -8.581 1.00 35.44 C ATOM 17 CE1 HIS A 33 36.508 4.790 -8.476 1.00 35.58 C ATOM 18 NE2 HIS A 33 36.859 3.516 -8.503 1.00 36.65 N ATOM 19 H HIS A 33 32.384 2.933 -6.031 1.00 0.00 H ATOM 20 N TYR A 34 30.025 4.213 -7.204 1.00 28.06 N ATOM 21 CA TYR A 34 28.581 4.318 -7.353 1.00 26.66 C ATOM 22 C TYR A 34 27.745 3.501 -8.365 1.00 27.17 C ATOM 23 O TYR A 34 26.830 4.065 -8.970 1.00 26.37 O ATOM 24 CB TYR A 34 28.222 5.805 -7.524 1.00 24.73 C ATOM 25 CG TYR A 34 28.750 6.704 -6.410 1.00 22.88 C ATOM 26 CD1 TYR A 34 29.997 7.332 -6.508 1.00 20.25 C ATOM 27 CD2 TYR A 34 28.012 6.893 -5.248 1.00 20.31 C ATOM 28 CE1 TYR A 34 30.488 8.129 -5.466 1.00 20.37 C ATOM 29 CE2 TYR A 34 28.485 7.679 -4.210 1.00 20.23 C ATOM 30 CZ TYR A 34 29.719 8.296 -4.316 1.00 19.65 C ATOM 31 OH TYR A 34 30.155 9.065 -3.256 1.00 18.34 O ATOM 32 HH TYR A 34 31.045 9.442 -3.468 1.00 0.00 H ATOM 33 H TYR A 34 30.406 4.103 -6.243 1.00 0.00 H ATOM 34 N ILE A 35 28.022 2.205 -8.557 1.00 26.56 N ATOM 35 CA ILE A 35 27.179 1.416 -9.466 1.00 26.07 C ATOM 36 C ILE A 35 25.887 1.183 -8.679 1.00 25.28 C ATOM 37 O ILE A 35 24.803 1.115 -9.240 1.00 26.57 O ATOM 38 CB ILE A 35 27.835 0.073 -9.888 1.00 26.80 C ATOM 39 CG1 ILE A 35 28.326 -0.691 -8.654 1.00 28.79 C ATOM 40 CG2 ILE A 35 28.970 0.347 -10.881 1.00 25.10 C ATOM 41 CD1 ILE A 35 29.525 -0.109 -7.863 1.00 20.33 C ATOM 42 H ILE A 35 28.825 1.761 -8.068 1.00 0.00 H ATOM 43 N LYS A 36 26.023 1.054 -7.365 1.00 24.19 N ATOM 44 CA LYS A 36 24.881 0.954 -6.463 1.00 22.76 C ATOM 45 C LYS A 36 25.094 2.069 -5.457 1.00 21.63 C ATOM 46 O LYS A 36 26.232 2.505 -5.228 1.00 22.16 O ATOM 47 CB LYS A 36 24.792 -0.400 -5.750 1.00 23.05 C ATOM 48 CG LYS A 36 24.067 -1.442 -6.586 1.00 23.71 C ATOM 49 CD LYS A 36 23.812 -2.737 -5.858 1.00 23.08 C ATOM 50 CE LYS A 36 23.174 -3.727 -6.827 1.00 23.85 C ATOM 51 NZ LYS A 36 22.880 -5.019 -6.173 1.00 26.89 N ATOM 52 HZ1 LYS A 36 23.764 -5.434 -5.815 1.00 0.00 H ATOM 53 HZ2 LYS A 36 22.223 -4.864 -5.382 1.00 0.00 H ATOM 54 HZ3 LYS A 36 22.447 -5.665 -6.864 1.00 0.00 H ATOM 55 H LYS A 36 26.982 1.023 -6.963 1.00 0.00 H ATOM 56 N HIS A 37 24.018 2.564 -4.866 1.00 19.91 N ATOM 57 CA HIS A 37 24.185 3.642 -3.910 1.00 18.60 C ATOM 58 C HIS A 37 24.307 3.128 -2.488 1.00 16.86 C ATOM 59 O HIS A 37 23.399 2.488 -1.957 1.00 15.51 O ATOM 60 CB HIS A 37 23.046 4.652 -4.042 1.00 19.97 C ATOM 61 CG HIS A 37 22.896 5.192 -5.429 1.00 20.12 C ATOM 62 ND1 HIS A 37 22.237 4.505 -6.427 1.00 22.14 N ATOM 63 CD2 HIS A 37 23.377 6.320 -6.003 1.00 20.64 C ATOM 64 CE1 HIS A 37 22.317 5.188 -7.557 1.00 21.69 C ATOM 65 NE2 HIS A 37 23.005 6.293 -7.326 1.00 21.73 N ATOM 66 H HIS A 37 23.073 2.188 -5.083 1.00 0.00 H ATOM 67 N PRO A 38 25.453 3.409 -1.852 1.00 16.74 N ATOM 68 CA PRO A 38 25.745 2.985 -0.482 1.00 16.02 C ATOM 69 C PRO A 38 24.824 3.574 0.569 1.00 15.42 C ATOM 70 O PRO A 38 24.316 4.679 0.421 1.00 15.05 O ATOM 71 CB PRO A 38 27.193 3.435 -0.295 1.00 14.98 C ATOM 72 CG PRO A 38 27.231 4.696 -1.129 1.00 14.95 C ATOM 73 CD PRO A 38 26.600 4.157 -2.397 1.00 15.54 C ATOM 74 N LEU A 39 24.620 2.812 1.636 1.00 14.72 N ATOM 75 CA LEU A 39 23.800 3.253 2.752 1.00 13.16 C ATOM 76 C LEU A 39 24.713 3.584 3.924 1.00 13.05 C ATOM 77 O LEU A 39 25.819 3.042 4.022 1.00 12.05 O ATOM 78 CB LEU A 39 22.820 2.159 3.155 1.00 10.51 C ATOM 79 CG LEU A 39 21.680 1.862 2.202 1.00 7.42 C ATOM 80 CD1 LEU A 39 20.808 0.805 2.849 1.00 7.61 C ATOM 81 CD2 LEU A 39 20.871 3.138 1.932 1.00 8.01 C ATOM 82 H LEU A 39 25.060 1.871 1.675 1.00 0.00 H ATOM 83 N GLN A 40 24.260 4.468 4.814 1.00 13.21 N ATOM 84 CA GLN A 40 25.084 4.846 5.959 1.00 13.36 C ATOM 85 C GLN A 40 25.323 3.630 6.848 1.00 14.85 C ATOM 86 O GLN A 40 26.421 3.461 7.407 1.00 15.41 O ATOM 87 CB GLN A 40 24.404 5.967 6.758 1.00 14.22 C ATOM 88 CG GLN A 40 25.142 6.481 8.014 1.00 11.46 C ATOM 89 CD GLN A 40 26.463 7.188 7.731 1.00 10.66 C ATOM 90 OE1 GLN A 40 26.739 7.638 6.615 1.00 8.84 O ATOM 91 NE2 GLN A 40 27.271 7.326 8.769 1.00 13.92 N ATOM 92 HE22 GLN A 40 27.002 6.932 9.693 1.00 0.00 H ATOM 93 HE21 GLN A 40 28.175 7.828 8.661 1.00 0.00 H ATOM 94 H GLN A 40 23.317 4.889 4.692 1.00 0.00 H ATOM 95 N ASN A 41 24.307 2.778 6.969 1.00 13.35 N ATOM 96 CA ASN A 41 24.417 1.570 7.787 1.00 13.36 C ATOM 97 C ASN A 41 24.009 0.296 7.034 1.00 12.73 C ATOM 98 O ASN A 41 23.293 0.351 6.036 1.00 12.07 O ATOM 99 CB ASN A 41 23.525 1.657 9.042 1.00 13.49 C ATOM 100 CG ASN A 41 23.859 2.841 9.949 1.00 16.57 C ATOM 101 OD1 ASN A 41 23.351 3.958 9.768 1.00 19.09 O ATOM 102 ND2 ASN A 41 24.715 2.601 10.929 1.00 16.33 N ATOM 103 HD22 ASN A 41 25.118 1.649 11.046 1.00 0.00 H ATOM 104 HD21 ASN A 41 24.985 3.364 11.582 1.00 0.00 H ATOM 105 H ASN A 41 23.416 2.976 6.471 1.00 0.00 H ATOM 106 N ARG A 42 24.493 -0.850 7.500 1.00 12.33 N ATOM 107 CA ARG A 42 24.076 -2.124 6.922 1.00 13.08 C ATOM 108 C ARG A 42 22.842 -2.409 7.781 1.00 12.97 C ATOM 109 O ARG A 42 22.879 -2.184 8.987 1.00 12.09 O ATOM 110 CB ARG A 42 25.126 -3.217 7.154 1.00 13.88 C ATOM 111 CG ARG A 42 24.721 -4.611 6.657 1.00 15.32 C ATOM 112 CD ARG A 42 25.931 -5.529 6.739 1.00 15.86 C ATOM 113 NE ARG A 42 25.720 -6.886 6.244 1.00 14.98 N ATOM 114 CZ ARG A 42 25.439 -7.209 4.982 1.00 16.87 C ATOM 115 NH1 ARG A 42 25.324 -6.270 4.050 1.00 16.50 N ATOM 116 NH2 ARG A 42 25.301 -8.489 4.646 1.00 16.47 N ATOM 117 HE ARG A 42 25.795 -7.663 6.931 1.00 0.00 H ATOM 118 HH12 ARG A 42 25.104 -6.535 3.069 1.00 0.00 H ATOM 119 HH11 ARG A 42 25.454 -5.269 4.301 1.00 0.00 H ATOM 120 HH22 ARG A 42 25.082 -8.748 3.663 1.00 0.00 H ATOM 121 HH21 ARG A 42 25.412 -9.231 5.366 1.00 0.00 H ATOM 122 H ARG A 42 25.176 -0.839 8.284 1.00 0.00 H ATOM 123 N TRP A 43 21.747 -2.850 7.172 1.00 12.34 N ATOM 124 CA TRP A 43 20.541 -3.132 7.944 1.00 12.34 C ATOM 125 C TRP A 43 20.163 -4.599 7.857 1.00 12.81 C ATOM 126 O TRP A 43 20.506 -5.259 6.893 1.00 12.82 O ATOM 127 CB TRP A 43 19.367 -2.274 7.467 1.00 10.22 C ATOM 128 CG TRP A 43 19.568 -0.809 7.666 1.00 12.39 C ATOM 129 CD1 TRP A 43 20.307 0.037 6.882 1.00 11.96 C ATOM 130 CD2 TRP A 43 19.094 -0.024 8.769 1.00 10.93 C ATOM 131 NE1 TRP A 43 20.322 1.295 7.433 1.00 12.63 N ATOM 132 CE2 TRP A 43 19.587 1.285 8.593 1.00 11.00 C ATOM 133 CE3 TRP A 43 18.302 -0.306 9.892 1.00 10.36 C ATOM 134 CZ2 TRP A 43 19.315 2.317 9.497 1.00 11.65 C ATOM 135 CZ3 TRP A 43 18.029 0.717 10.794 1.00 8.77 C ATOM 136 CH2 TRP A 43 18.536 2.016 10.591 1.00 11.09 C ATOM 137 HE1 TRP A 43 20.811 2.122 7.036 1.00 0.00 H ATOM 138 H TRP A 43 21.749 -2.995 6.142 1.00 0.00 H ATOM 139 N ALA A 44 19.450 -5.091 8.870 1.00 12.70 N ATOM 140 CA ALA A 44 19.024 -6.486 8.926 1.00 13.07 C ATOM 141 C ALA A 44 17.514 -6.533 9.115 1.00 12.95 C ATOM 142 O ALA A 44 16.987 -5.857 9.995 1.00 12.84 O ATOM 143 CB ALA A 44 19.729 -7.214 10.105 1.00 10.63 C ATOM 144 H ALA A 44 19.187 -4.456 9.651 1.00 0.00 H ATOM 145 N LEU A 45 16.818 -7.319 8.292 1.00 13.39 N ATOM 146 CA LEU A 45 15.360 -7.437 8.411 1.00 14.05 C ATOM 147 C LEU A 45 15.019 -8.737 9.143 1.00 13.45 C ATOM 148 O LEU A 45 15.465 -9.820 8.762 1.00 14.61 O ATOM 149 CB LEU A 45 14.688 -7.405 7.023 1.00 14.80 C ATOM 150 CG LEU A 45 13.153 -7.522 6.999 1.00 16.33 C ATOM 151 CD1 LEU A 45 12.530 -6.401 7.821 1.00 15.03 C ATOM 152 CD2 LEU A 45 12.639 -7.491 5.565 1.00 16.24 C ATOM 153 H LEU A 45 17.316 -7.857 7.554 1.00 0.00 H ATOM 154 N TRP A 46 14.242 -8.614 10.209 1.00 12.39 N ATOM 155 CA TRP A 46 13.867 -9.758 11.022 1.00 12.29 C ATOM 156 C TRP A 46 12.389 -10.077 10.904 1.00 11.89 C ATOM 157 O TRP A 46 11.573 -9.206 10.616 1.00 12.00 O ATOM 158 CB TRP A 46 14.197 -9.503 12.504 1.00 11.34 C ATOM 159 CG TRP A 46 15.627 -9.168 12.781 1.00 12.91 C ATOM 160 CD1 TRP A 46 16.254 -7.983 12.547 1.00 12.54 C ATOM 161 CD2 TRP A 46 16.614 -10.039 13.355 1.00 12.05 C ATOM 162 NE1 TRP A 46 17.566 -8.057 12.943 1.00 12.85 N ATOM 163 CE2 TRP A 46 17.813 -9.309 13.443 1.00 11.94 C ATOM 164 CE3 TRP A 46 16.593 -11.366 13.805 1.00 11.74 C ATOM 165 CZ2 TRP A 46 18.995 -9.860 13.965 1.00 14.07 C ATOM 166 CZ3 TRP A 46 17.767 -11.918 14.326 1.00 13.39 C ATOM 167 CH2 TRP A 46 18.949 -11.166 14.402 1.00 13.00 C ATOM 168 HE1 TRP A 46 18.261 -7.287 12.875 1.00 0.00 H ATOM 169 H TRP A 46 13.890 -7.671 10.471 1.00 0.00 H ATOM 170 N PHE A 47 12.062 -11.334 11.153 1.00 12.45 N ATOM 171 CA PHE A 47 10.698 -11.819 11.102 1.00 13.82 C ATOM 172 C PHE A 47 10.425 -12.549 12.411 1.00 15.11 C ATOM 173 O PHE A 47 11.285 -13.259 12.919 1.00 16.26 O ATOM 174 CB PHE A 47 10.530 -12.801 9.938 1.00 13.78 C ATOM 175 CG PHE A 47 9.194 -13.493 9.913 1.00 13.80 C ATOM 176 CD1 PHE A 47 8.023 -12.768 9.707 1.00 13.31 C ATOM 177 CD2 PHE A 47 9.112 -14.870 10.088 1.00 11.80 C ATOM 178 CE1 PHE A 47 6.790 -13.407 9.670 1.00 14.30 C ATOM 179 CE2 PHE A 47 7.893 -15.522 10.055 1.00 15.56 C ATOM 180 CZ PHE A 47 6.720 -14.793 9.843 1.00 15.93 C ATOM 181 H PHE A 47 12.819 -12.005 11.396 1.00 0.00 H ATOM 182 N PHE A 48 9.241 -12.351 12.965 1.00 15.36 N ATOM 183 CA PHE A 48 8.865 -13.024 14.188 1.00 18.76 C ATOM 184 C PHE A 48 7.579 -13.803 13.925 1.00 20.36 C ATOM 185 O PHE A 48 6.667 -13.303 13.256 1.00 18.59 O ATOM 186 CB PHE A 48 8.600 -12.032 15.328 1.00 18.75 C ATOM 187 CG PHE A 48 8.182 -12.703 16.615 1.00 16.02 C ATOM 188 CD1 PHE A 48 9.136 -13.150 17.527 1.00 17.13 C ATOM 189 CD2 PHE A 48 6.845 -12.955 16.870 1.00 16.25 C ATOM 190 CE1 PHE A 48 8.774 -13.836 18.667 1.00 14.64 C ATOM 191 CE2 PHE A 48 6.457 -13.642 18.001 1.00 16.16 C ATOM 192 CZ PHE A 48 7.434 -14.088 18.912 1.00 18.35 C ATOM 193 H PHE A 48 8.568 -11.699 12.513 1.00 0.00 H ATOM 194 N LYS A 49 7.521 -15.022 14.458 1.00 22.98 N ATOM 195 CA LYS A 49 6.354 -15.883 14.320 1.00 27.72 C ATOM 196 C LYS A 49 5.944 -16.281 15.728 1.00 30.98 C ATOM 197 O LYS A 49 6.670 -17.012 16.405 1.00 29.65 O ATOM 198 CB LYS A 49 6.687 -17.138 13.513 1.00 28.76 C ATOM 199 CG LYS A 49 5.498 -18.062 13.286 1.00 30.07 C ATOM 200 CD LYS A 49 4.500 -17.436 12.337 1.00 32.84 C ATOM 201 CE LYS A 49 3.253 -18.294 12.126 1.00 34.23 C ATOM 202 NZ LYS A 49 2.317 -18.309 13.280 1.00 35.23 N ATOM 203 HZ1 LYS A 49 2.807 -18.684 14.117 1.00 0.00 H ATOM 204 HZ2 LYS A 49 1.991 -17.340 13.473 1.00 0.00 H ATOM 205 HZ3 LYS A 49 1.501 -18.913 13.055 1.00 0.00 H ATOM 206 H LYS A 49 8.341 -15.373 14.994 1.00 0.00 H ATOM 207 N ASN A 50 4.785 -15.773 16.154 1.00 35.77 N ATOM 208 CA ASN A 50 4.223 -16.024 17.481 1.00 39.39 C ATOM 209 C ASN A 50 4.182 -17.508 17.844 1.00 40.86 C ATOM 210 O ASN A 50 3.115 -18.126 17.900 1.00 41.65 O ATOM 211 CB ASN A 50 2.814 -15.434 17.564 1.00 40.63 C ATOM 212 CG ASN A 50 2.258 -15.461 18.975 1.00 42.22 C ATOM 213 OD1 ASN A 50 1.959 -16.527 19.521 1.00 43.72 O ATOM 214 ND2 ASN A 50 2.137 -14.281 19.585 1.00 42.77 N ATOM 215 HD22 ASN A 50 2.401 -13.408 19.086 1.00 0.00 H ATOM 216 HD21 ASN A 50 1.778 -14.234 20.560 1.00 0.00 H ATOM 217 H ASN A 50 4.250 -15.163 15.504 1.00 0.00 H ATOM 218 N ASP A 51 5.355 -18.067 18.107 1.00 41.87 N ATOM 219 CA ASP A 51 5.472 -19.474 18.444 1.00 42.73 C ATOM 220 C ASP A 51 5.120 -19.708 19.917 1.00 43.78 C ATOM 221 O ASP A 51 5.218 -18.789 20.747 1.00 42.55 O ATOM 222 CB ASP A 51 6.899 -19.936 18.148 1.00 42.21 C ATOM 223 CG ASP A 51 7.083 -21.417 18.335 1.00 43.00 C ATOM 224 OD1 ASP A 51 6.835 -21.913 19.452 1.00 43.02 O ATOM 225 OD2 ASP A 51 7.486 -22.082 17.362 1.00 42.68 O ATOM 226 H ASP A 51 6.214 -17.482 18.071 1.00 0.00 H ATOM 227 N LYS A 52 4.699 -20.937 20.225 1.00 43.93 N ATOM 228 CA LYS A 52 4.325 -21.323 21.588 1.00 44.25 C ATOM 229 C LYS A 52 5.241 -22.345 22.288 1.00 43.97 C ATOM 230 O LYS A 52 4.906 -22.818 23.371 1.00 44.77 O ATOM 231 CB LYS A 52 2.878 -21.846 21.613 1.00 43.87 C ATOM 232 CG LYS A 52 1.793 -20.775 21.841 1.00 43.96 C ATOM 233 CD LYS A 52 1.684 -19.750 20.715 1.00 42.96 C ATOM 234 CE LYS A 52 0.674 -18.649 21.073 1.00 43.63 C ATOM 235 NZ LYS A 52 -0.713 -19.156 21.334 1.00 40.83 N ATOM 236 HZ1 LYS A 52 -1.071 -19.637 20.484 1.00 0.00 H ATOM 237 HZ2 LYS A 52 -0.692 -19.825 22.130 1.00 0.00 H ATOM 238 HZ3 LYS A 52 -1.335 -18.356 21.568 1.00 0.00 H ATOM 239 H LYS A 52 4.634 -21.648 19.468 1.00 0.00 H ATOM 240 N SER A 53 6.392 -22.669 21.701 1.00 43.96 N ATOM 241 CA SER A 53 7.301 -23.641 22.316 1.00 43.76 C ATOM 242 C SER A 53 8.787 -23.267 22.278 1.00 43.59 C ATOM 243 O SER A 53 9.657 -24.150 22.255 1.00 43.45 O ATOM 244 CB SER A 53 7.122 -25.002 21.652 1.00 44.93 C ATOM 245 OG SER A 53 7.434 -24.920 20.272 1.00 47.80 O ATOM 246 HG SER A 53 6.832 -24.266 19.837 1.00 0.00 H ATOM 247 H SER A 53 6.649 -22.227 20.795 1.00 0.00 H ATOM 248 N LYS A 54 9.068 -21.963 22.276 1.00 42.99 N ATOM 249 CA LYS A 54 10.439 -21.430 22.251 1.00 40.79 C ATOM 250 C LYS A 54 10.404 -20.132 23.055 1.00 39.09 C ATOM 251 O LYS A 54 9.336 -19.543 23.213 1.00 40.21 O ATOM 252 CB LYS A 54 10.859 -21.108 20.809 1.00 40.25 C ATOM 253 CG LYS A 54 10.800 -22.285 19.847 1.00 40.53 C ATOM 254 CD LYS A 54 10.853 -21.837 18.380 1.00 39.67 C ATOM 255 CE LYS A 54 12.184 -21.234 17.969 1.00 38.69 C ATOM 256 NZ LYS A 54 13.275 -22.239 17.926 1.00 39.01 N ATOM 257 HZ1 LYS A 54 13.392 -22.662 18.869 1.00 0.00 H ATOM 258 HZ2 LYS A 54 13.034 -22.982 17.239 1.00 0.00 H ATOM 259 HZ3 LYS A 54 14.161 -21.775 17.640 1.00 0.00 H ATOM 260 H LYS A 54 8.277 -21.288 22.293 1.00 0.00 H ATOM 261 N THR A 55 11.543 -19.678 23.575 1.00 36.71 N ATOM 262 CA THR A 55 11.525 -18.413 24.306 1.00 34.97 C ATOM 263 C THR A 55 11.245 -17.322 23.266 1.00 34.44 C ATOM 264 O THR A 55 11.564 -17.480 22.078 1.00 34.12 O ATOM 265 CB THR A 55 12.877 -18.098 25.008 1.00 34.75 C ATOM 266 OG1 THR A 55 13.921 -17.993 24.031 1.00 34.19 O ATOM 267 CG2 THR A 55 13.228 -19.187 26.033 1.00 33.41 C ATOM 268 HG1 THR A 55 13.705 -17.265 23.396 1.00 0.00 H ATOM 269 H THR A 55 12.428 -20.213 23.463 1.00 0.00 H ATOM 270 N TRP A 56 10.639 -16.224 23.698 1.00 31.93 N ATOM 271 CA TRP A 56 10.344 -15.140 22.772 1.00 30.81 C ATOM 272 C TRP A 56 11.598 -14.792 21.971 1.00 30.13 C ATOM 273 O TRP A 56 11.543 -14.569 20.761 1.00 28.81 O ATOM 274 CB TRP A 56 9.893 -13.883 23.522 1.00 28.33 C ATOM 275 CG TRP A 56 9.547 -12.767 22.590 1.00 26.01 C ATOM 276 CD1 TRP A 56 8.330 -12.509 22.040 1.00 25.01 C ATOM 277 CD2 TRP A 56 10.462 -11.836 21.993 1.00 26.67 C ATOM 278 NE1 TRP A 56 8.423 -11.479 21.133 1.00 24.93 N ATOM 279 CE2 TRP A 56 9.722 -11.048 21.083 1.00 26.22 C ATOM 280 CE3 TRP A 56 11.837 -11.594 22.136 1.00 26.05 C ATOM 281 CZ2 TRP A 56 10.309 -10.034 20.319 1.00 26.40 C ATOM 282 CZ3 TRP A 56 12.422 -10.585 21.375 1.00 25.73 C ATOM 283 CH2 TRP A 56 11.657 -9.819 20.478 1.00 26.75 C ATOM 284 HE1 TRP A 56 7.635 -11.091 20.576 1.00 0.00 H ATOM 285 H TRP A 56 10.374 -16.137 24.700 1.00 0.00 H ATOM 286 N GLN A 57 12.728 -14.749 22.659 1.00 29.53 N ATOM 287 CA GLN A 57 13.981 -14.383 22.026 1.00 30.70 C ATOM 288 C GLN A 57 14.475 -15.372 20.968 1.00 30.54 C ATOM 289 O GLN A 57 15.142 -14.982 20.005 1.00 29.31 O ATOM 290 CB GLN A 57 15.041 -14.188 23.106 1.00 32.01 C ATOM 291 CG GLN A 57 16.292 -13.490 22.620 1.00 36.91 C ATOM 292 CD GLN A 57 17.272 -13.229 23.748 1.00 39.00 C ATOM 293 OE1 GLN A 57 16.889 -12.730 24.821 1.00 40.01 O ATOM 294 NE2 GLN A 57 18.545 -13.546 23.512 1.00 38.40 N ATOM 295 HE22 GLN A 57 18.817 -13.961 22.598 1.00 0.00 H ATOM 296 HE21 GLN A 57 19.267 -13.378 24.242 1.00 0.00 H ATOM 297 H GLN A 57 12.717 -14.982 23.673 1.00 0.00 H ATOM 298 N ALA A 58 14.144 -16.649 21.144 1.00 31.09 N ATOM 299 CA ALA A 58 14.561 -17.692 20.207 1.00 30.82 C ATOM 300 C ALA A 58 13.745 -17.692 18.900 1.00 30.27 C ATOM 301 O ALA A 58 14.186 -18.243 17.889 1.00 29.21 O ATOM 302 CB ALA A 58 14.474 -19.065 20.883 1.00 29.62 C ATOM 303 H ALA A 58 13.572 -16.913 21.972 1.00 0.00 H ATOM 304 N ASN A 59 12.561 -17.077 18.930 1.00 30.15 N ATOM 305 CA ASN A 59 11.694 -16.999 17.753 1.00 29.32 C ATOM 306 C ASN A 59 12.054 -15.902 16.759 1.00 28.60 C ATOM 307 O ASN A 59 11.517 -15.872 15.651 1.00 29.03 O ATOM 308 CB ASN A 59 10.235 -16.825 18.162 1.00 30.26 C ATOM 309 CG ASN A 59 9.634 -18.098 18.676 1.00 31.44 C ATOM 310 OD1 ASN A 59 9.771 -19.145 18.048 1.00 32.40 O ATOM 311 ND2 ASN A 59 8.949 -18.023 19.808 1.00 32.62 N ATOM 312 HD22 ASN A 59 8.861 -17.113 20.303 1.00 0.00 H ATOM 313 HD21 ASN A 59 8.499 -18.874 20.201 1.00 0.00 H ATOM 314 H ASN A 59 12.244 -16.639 19.818 1.00 0.00 H ATOM 315 N LEU A 60 12.928 -14.985 17.161 1.00 25.80 N ATOM 316 CA LEU A 60 13.362 -13.933 16.258 1.00 24.31 C ATOM 317 C LEU A 60 14.122 -14.648 15.154 1.00 24.43 C ATOM 318 O LEU A 60 15.068 -15.391 15.421 1.00 23.32 O ATOM 319 CB LEU A 60 14.286 -12.947 16.972 1.00 23.87 C ATOM 320 CG LEU A 60 13.658 -11.922 17.911 1.00 24.71 C ATOM 321 CD1 LEU A 60 12.707 -12.595 18.873 1.00 27.16 C ATOM 322 CD2 LEU A 60 14.767 -11.201 18.660 1.00 25.26 C ATOM 323 H LEU A 60 13.304 -15.021 18.130 1.00 0.00 H ATOM 324 N ARG A 61 13.691 -14.429 13.916 1.00 24.12 N ATOM 325 CA ARG A 61 14.303 -15.066 12.766 1.00 23.07 C ATOM 326 C ARG A 61 14.754 -13.975 11.792 1.00 22.20 C ATOM 327 O ARG A 61 14.010 -13.043 11.502 1.00 22.26 O ATOM 328 CB ARG A 61 13.285 -15.998 12.111 1.00 25.81 C ATOM 329 CG ARG A 61 13.913 -17.187 11.451 1.00 30.95 C ATOM 330 CD ARG A 61 14.594 -18.090 12.482 1.00 33.18 C ATOM 331 NE ARG A 61 15.596 -18.937 11.837 1.00 35.34 N ATOM 332 CZ ARG A 61 16.454 -19.720 12.480 1.00 36.44 C ATOM 333 NH1 ARG A 61 16.444 -19.780 13.810 1.00 37.16 N ATOM 334 NH2 ARG A 61 17.345 -20.425 11.792 1.00 37.28 N ATOM 335 HE ARG A 61 15.640 -18.925 10.798 1.00 0.00 H ATOM 336 HH12 ARG A 61 17.119 -20.395 14.308 1.00 0.00 H ATOM 337 HH11 ARG A 61 15.762 -19.212 14.351 1.00 0.00 H ATOM 338 HH22 ARG A 61 18.019 -21.040 12.291 1.00 0.00 H ATOM 339 HH21 ARG A 61 17.368 -20.362 10.754 1.00 0.00 H ATOM 340 H ARG A 61 12.891 -13.781 13.768 1.00 0.00 H ATOM 341 N LEU A 62 15.978 -14.099 11.293 1.00 19.98 N ATOM 342 CA LEU A 62 16.556 -13.112 10.390 1.00 18.23 C ATOM 343 C LEU A 62 16.230 -13.425 8.926 1.00 16.93 C ATOM 344 O LEU A 62 16.289 -14.568 8.502 1.00 16.73 O ATOM 345 CB LEU A 62 18.060 -13.074 10.654 1.00 17.78 C ATOM 346 CG LEU A 62 19.082 -12.101 10.071 1.00 20.46 C ATOM 347 CD1 LEU A 62 18.589 -10.655 10.018 1.00 19.67 C ATOM 348 CD2 LEU A 62 20.331 -12.229 10.963 1.00 19.65 C ATOM 349 H LEU A 62 16.545 -14.930 11.556 1.00 0.00 H ATOM 350 N ILE A 63 15.859 -12.406 8.159 1.00 14.55 N ATOM 351 CA ILE A 63 15.507 -12.618 6.758 1.00 11.84 C ATOM 352 C ILE A 63 16.687 -12.393 5.818 1.00 11.76 C ATOM 353 O ILE A 63 17.030 -13.266 5.004 1.00 10.40 O ATOM 354 CB ILE A 63 14.321 -11.699 6.330 1.00 10.63 C ATOM 355 CG1 ILE A 63 13.047 -12.137 7.055 1.00 8.89 C ATOM 356 CG2 ILE A 63 14.120 -11.754 4.808 1.00 11.80 C ATOM 357 CD1 ILE A 63 13.022 -11.696 8.461 1.00 20.33 C ATOM 358 H ILE A 63 15.819 -11.447 8.560 1.00 0.00 H ATOM 359 N SER A 64 17.305 -11.225 5.935 1.00 10.63 N ATOM 360 CA SER A 64 18.441 -10.873 5.103 1.00 11.19 C ATOM 361 C SER A 64 19.038 -9.560 5.607 1.00 10.45 C ATOM 362 O SER A 64 18.481 -8.931 6.504 1.00 11.51 O ATOM 363 CB SER A 64 17.983 -10.708 3.647 1.00 12.54 C ATOM 364 OG SER A 64 19.080 -10.431 2.796 1.00 13.80 O ATOM 365 HG SER A 64 19.519 -9.593 3.087 1.00 0.00 H ATOM 366 H SER A 64 16.966 -10.542 6.643 1.00 0.00 H ATOM 367 N LYS A 65 20.173 -9.161 5.034 1.00 9.73 N ATOM 368 CA LYS A 65 20.827 -7.898 5.391 1.00 10.45 C ATOM 369 C LYS A 65 21.238 -7.220 4.095 1.00 10.83 C ATOM 370 O LYS A 65 21.481 -7.890 3.092 1.00 9.78 O ATOM 371 CB LYS A 65 22.061 -8.124 6.268 1.00 9.34 C ATOM 372 CG LYS A 65 21.740 -8.706 7.627 1.00 8.99 C ATOM 373 CD LYS A 65 23.004 -8.882 8.431 1.00 9.92 C ATOM 374 CE LYS A 65 22.736 -9.489 9.800 1.00 6.71 C ATOM 375 NZ LYS A 65 24.015 -9.511 10.553 1.00 6.91 N ATOM 376 HZ1 LYS A 65 24.711 -10.085 10.036 1.00 0.00 H ATOM 377 HZ2 LYS A 65 24.373 -8.540 10.655 1.00 0.00 H ATOM 378 HZ3 LYS A 65 23.855 -9.923 11.494 1.00 0.00 H ATOM 379 H LYS A 65 20.610 -9.766 4.309 1.00 0.00 H ATOM 380 N PHE A 66 21.320 -5.896 4.116 1.00 11.56 N ATOM 381 CA PHE A 66 21.683 -5.150 2.914 1.00 13.25 C ATOM 382 C PHE A 66 22.347 -3.843 3.285 1.00 12.62 C ATOM 383 O PHE A 66 22.172 -3.349 4.396 1.00 13.91 O ATOM 384 CB PHE A 66 20.419 -4.875 2.089 1.00 13.48 C ATOM 385 CG PHE A 66 19.368 -4.084 2.833 1.00 13.74 C ATOM 386 CD1 PHE A 66 19.476 -2.704 2.977 1.00 12.54 C ATOM 387 CD2 PHE A 66 18.293 -4.729 3.437 1.00 13.47 C ATOM 388 CE1 PHE A 66 18.526 -1.984 3.715 1.00 12.50 C ATOM 389 CE2 PHE A 66 17.345 -4.010 4.173 1.00 11.48 C ATOM 390 CZ PHE A 66 17.465 -2.644 4.310 1.00 10.30 C ATOM 391 H PHE A 66 21.123 -5.383 4.999 1.00 0.00 H ATOM 392 N ASP A 67 23.107 -3.274 2.361 1.00 13.44 N ATOM 393 CA ASP A 67 23.743 -2.003 2.649 1.00 13.54 C ATOM 394 C ASP A 67 23.800 -1.000 1.486 1.00 13.16 C ATOM 395 O ASP A 67 24.603 -0.069 1.496 1.00 11.44 O ATOM 396 CB ASP A 67 25.132 -2.222 3.270 1.00 14.09 C ATOM 397 CG ASP A 67 26.017 -3.116 2.430 1.00 15.81 C ATOM 398 OD1 ASP A 67 25.936 -3.007 1.186 1.00 13.84 O ATOM 399 OD2 ASP A 67 26.805 -3.898 3.019 1.00 15.50 O ATOM 400 H ASP A 67 23.246 -3.734 1.439 1.00 0.00 H ATOM 401 N THR A 68 22.933 -1.197 0.490 1.00 13.69 N ATOM 402 CA THR A 68 22.797 -0.263 -0.633 1.00 13.04 C ATOM 403 C THR A 68 21.285 -0.056 -0.832 1.00 13.79 C ATOM 404 O THR A 68 20.474 -0.865 -0.385 1.00 12.40 O ATOM 405 CB THR A 68 23.370 -0.795 -1.979 1.00 13.86 C ATOM 406 OG1 THR A 68 22.611 -1.931 -2.402 1.00 11.06 O ATOM 407 CG2 THR A 68 24.862 -1.160 -1.842 1.00 12.06 C ATOM 408 HG1 THR A 68 22.669 -2.640 -1.714 1.00 0.00 H ATOM 409 H THR A 68 22.331 -2.045 0.511 1.00 0.00 H ATOM 410 N VAL A 69 20.923 1.019 -1.527 1.00 14.18 N ATOM 411 CA VAL A 69 19.535 1.357 -1.795 1.00 13.46 C ATOM 412 C VAL A 69 18.878 0.341 -2.733 1.00 15.19 C ATOM 413 O VAL A 69 17.722 -0.063 -2.535 1.00 16.89 O ATOM 414 CB VAL A 69 19.463 2.787 -2.391 1.00 13.86 C ATOM 415 CG1 VAL A 69 18.011 3.212 -2.613 1.00 13.73 C ATOM 416 CG2 VAL A 69 20.164 3.768 -1.435 1.00 10.81 C ATOM 417 H VAL A 69 21.667 1.646 -1.895 1.00 0.00 H ATOM 418 N GLU A 70 19.617 -0.087 -3.744 1.00 14.62 N ATOM 419 CA GLU A 70 19.097 -1.054 -4.693 1.00 16.46 C ATOM 420 C GLU A 70 18.795 -2.398 -4.042 1.00 15.67 C ATOM 421 O GLU A 70 17.792 -3.033 -4.358 1.00 15.55 O ATOM 422 CB GLU A 70 20.083 -1.251 -5.849 1.00 17.84 C ATOM 423 CG GLU A 70 20.200 -0.038 -6.764 1.00 18.46 C ATOM 424 CD GLU A 70 20.987 1.111 -6.157 1.00 18.43 C ATOM 425 OE1 GLU A 70 21.049 2.178 -6.806 1.00 21.27 O ATOM 426 OE2 GLU A 70 21.549 0.955 -5.054 1.00 17.54 O ATOM 427 H GLU A 70 20.585 0.275 -3.860 1.00 0.00 H ATOM 428 N ASP A 71 19.670 -2.845 -3.149 1.00 15.85 N ATOM 429 CA ASP A 71 19.436 -4.112 -2.471 1.00 15.36 C ATOM 430 C ASP A 71 18.222 -3.984 -1.560 1.00 13.33 C ATOM 431 O ASP A 71 17.488 -4.939 -1.360 1.00 13.32 O ATOM 432 CB ASP A 71 20.683 -4.550 -1.686 1.00 17.06 C ATOM 433 CG ASP A 71 21.830 -4.950 -2.605 1.00 20.86 C ATOM 434 OD1 ASP A 71 21.598 -5.808 -3.482 1.00 20.45 O ATOM 435 OD2 ASP A 71 22.956 -4.414 -2.460 1.00 22.47 O ATOM 436 H ASP A 71 20.523 -2.290 -2.934 1.00 0.00 H ATOM 437 N PHE A 72 18.011 -2.793 -1.017 1.00 12.64 N ATOM 438 CA PHE A 72 16.847 -2.543 -0.172 1.00 12.09 C ATOM 439 C PHE A 72 15.580 -2.773 -0.985 1.00 10.79 C ATOM 440 O PHE A 72 14.687 -3.501 -0.568 1.00 9.93 O ATOM 441 CB PHE A 72 16.829 -1.093 0.334 1.00 13.11 C ATOM 442 CG PHE A 72 15.485 -0.669 0.865 1.00 14.32 C ATOM 443 CD1 PHE A 72 15.051 -1.086 2.119 1.00 14.53 C ATOM 444 CD2 PHE A 72 14.621 0.083 0.073 1.00 12.48 C ATOM 445 CE1 PHE A 72 13.787 -0.761 2.570 1.00 14.62 C ATOM 446 CE2 PHE A 72 13.348 0.410 0.515 1.00 11.75 C ATOM 447 CZ PHE A 72 12.929 -0.010 1.766 1.00 14.19 C ATOM 448 H PHE A 72 18.687 -2.023 -1.196 1.00 0.00 H ATOM 449 N TRP A 73 15.504 -2.128 -2.145 1.00 11.84 N ATOM 450 CA TRP A 73 14.331 -2.265 -2.993 1.00 12.21 C ATOM 451 C TRP A 73 14.097 -3.681 -3.506 1.00 12.39 C ATOM 452 O TRP A 73 12.946 -4.083 -3.681 1.00 11.08 O ATOM 453 CB TRP A 73 14.384 -1.282 -4.170 1.00 10.68 C ATOM 454 CG TRP A 73 14.116 0.135 -3.766 1.00 9.86 C ATOM 455 CD1 TRP A 73 15.000 1.185 -3.794 1.00 9.40 C ATOM 456 CD2 TRP A 73 12.877 0.661 -3.244 1.00 8.44 C ATOM 457 NE1 TRP A 73 14.385 2.327 -3.323 1.00 10.69 N ATOM 458 CE2 TRP A 73 13.086 2.034 -2.978 1.00 8.19 C ATOM 459 CE3 TRP A 73 11.616 0.100 -2.976 1.00 7.15 C ATOM 460 CZ2 TRP A 73 12.076 2.866 -2.455 1.00 7.09 C ATOM 461 CZ3 TRP A 73 10.612 0.922 -2.456 1.00 8.15 C ATOM 462 CH2 TRP A 73 10.852 2.298 -2.201 1.00 7.97 C ATOM 463 HE1 TRP A 73 14.833 3.262 -3.242 1.00 0.00 H ATOM 464 H TRP A 73 16.291 -1.520 -2.449 1.00 0.00 H ATOM 465 N ALA A 74 15.164 -4.442 -3.742 1.00 10.91 N ATOM 466 CA ALA A 74 14.980 -5.815 -4.234 1.00 10.70 C ATOM 467 C ALA A 74 14.358 -6.669 -3.139 1.00 11.44 C ATOM 468 O ALA A 74 13.555 -7.534 -3.425 1.00 12.25 O ATOM 469 CB ALA A 74 16.313 -6.432 -4.680 1.00 10.47 C ATOM 470 H ALA A 74 16.121 -4.068 -3.579 1.00 0.00 H ATOM 471 N LEU A 75 14.735 -6.426 -1.882 1.00 11.31 N ATOM 472 CA LEU A 75 14.178 -7.188 -0.760 1.00 9.81 C ATOM 473 C LEU A 75 12.731 -6.782 -0.492 1.00 10.65 C ATOM 474 O LEU A 75 11.841 -7.623 -0.417 1.00 10.44 O ATOM 475 CB LEU A 75 14.988 -6.953 0.523 1.00 7.98 C ATOM 476 CG LEU A 75 14.590 -7.759 1.773 1.00 3.19 C ATOM 477 CD1 LEU A 75 14.867 -9.235 1.556 1.00 3.19 C ATOM 478 CD2 LEU A 75 15.388 -7.272 2.971 1.00 5.35 C ATOM 479 H LEU A 75 15.437 -5.682 -1.695 1.00 0.00 H ATOM 480 N TYR A 76 12.509 -5.482 -0.347 1.00 11.42 N ATOM 481 CA TYR A 76 11.185 -4.972 -0.072 1.00 11.49 C ATOM 482 C TYR A 76 10.202 -5.404 -1.150 1.00 11.46 C ATOM 483 O TYR A 76 9.104 -5.842 -0.843 1.00 10.98 O ATOM 484 CB TYR A 76 11.185 -3.437 -0.002 1.00 12.48 C ATOM 485 CG TYR A 76 9.841 -2.876 0.434 1.00 11.81 C ATOM 486 CD1 TYR A 76 9.450 -2.918 1.771 1.00 11.16 C ATOM 487 CD2 TYR A 76 8.937 -2.371 -0.498 1.00 13.21 C ATOM 488 CE1 TYR A 76 8.197 -2.469 2.167 1.00 16.26 C ATOM 489 CE2 TYR A 76 7.660 -1.914 -0.107 1.00 14.05 C ATOM 490 CZ TYR A 76 7.302 -1.962 1.220 1.00 16.08 C ATOM 491 OH TYR A 76 6.073 -1.475 1.633 1.00 20.59 O ATOM 492 HH TYR A 76 5.986 -1.590 2.612 1.00 0.00 H ATOM 493 H TYR A 76 13.304 -4.817 -0.433 1.00 0.00 H ATOM 494 N ASN A 77 10.596 -5.262 -2.414 1.00 12.29 N ATOM 495 CA ASN A 77 9.707 -5.611 -3.514 1.00 11.66 C ATOM 496 C ASN A 77 9.392 -7.080 -3.627 1.00 12.14 C ATOM 497 O ASN A 77 8.379 -7.452 -4.191 1.00 11.71 O ATOM 498 CB ASN A 77 10.257 -5.119 -4.852 1.00 10.55 C ATOM 499 CG ASN A 77 10.156 -3.611 -4.999 1.00 13.44 C ATOM 500 OD1 ASN A 77 9.369 -2.967 -4.301 1.00 13.48 O ATOM 501 ND2 ASN A 77 10.924 -3.041 -5.925 1.00 12.49 N ATOM 502 HD22 ASN A 77 11.574 -3.623 -6.491 1.00 0.00 H ATOM 503 HD21 ASN A 77 10.874 -2.014 -6.082 1.00 0.00 H ATOM 504 H ASN A 77 11.549 -4.898 -2.618 1.00 0.00 H ATOM 505 N HIS A 78 10.256 -7.916 -3.079 1.00 13.13 N ATOM 506 CA HIS A 78 10.052 -9.350 -3.162 1.00 13.44 C ATOM 507 C HIS A 78 9.265 -9.962 -2.010 1.00 13.43 C ATOM 508 O HIS A 78 8.291 -10.679 -2.235 1.00 12.15 O ATOM 509 CB HIS A 78 11.405 -10.052 -3.281 1.00 11.97 C ATOM 510 CG HIS A 78 11.297 -11.534 -3.354 1.00 10.67 C ATOM 511 ND1 HIS A 78 11.298 -12.338 -2.233 1.00 11.14 N ATOM 512 CD2 HIS A 78 11.108 -12.356 -4.412 1.00 8.07 C ATOM 513 CE1 HIS A 78 11.115 -13.594 -2.602 1.00 10.24 C ATOM 514 NE2 HIS A 78 10.998 -13.630 -3.919 1.00 8.48 N ATOM 515 H HIS A 78 11.090 -7.542 -2.583 1.00 0.00 H ATOM 516 N ILE A 79 9.690 -9.680 -0.782 1.00 14.01 N ATOM 517 CA ILE A 79 9.029 -10.252 0.383 1.00 15.18 C ATOM 518 C ILE A 79 7.568 -9.792 0.496 1.00 14.64 C ATOM 519 O ILE A 79 7.173 -8.774 -0.074 1.00 13.39 O ATOM 520 CB ILE A 79 9.774 -9.890 1.694 1.00 14.98 C ATOM 521 CG1 ILE A 79 9.684 -8.379 1.936 1.00 14.92 C ATOM 522 CG2 ILE A 79 11.243 -10.360 1.613 1.00 15.41 C ATOM 523 CD1 ILE A 79 10.092 -7.928 3.336 1.00 20.33 C ATOM 524 H ILE A 79 10.503 -9.044 -0.652 1.00 0.00 H ATOM 525 N GLN A 80 6.784 -10.556 1.240 1.00 14.26 N ATOM 526 CA GLN A 80 5.369 -10.258 1.454 1.00 16.36 C ATOM 527 C GLN A 80 5.200 -8.971 2.283 1.00 14.82 C ATOM 528 O GLN A 80 5.932 -8.741 3.259 1.00 14.89 O ATOM 529 CB GLN A 80 4.705 -11.435 2.176 1.00 17.45 C ATOM 530 CG GLN A 80 3.230 -11.558 1.891 1.00 23.23 C ATOM 531 CD GLN A 80 2.930 -12.083 0.499 1.00 23.30 C ATOM 532 OE1 GLN A 80 3.716 -11.930 -0.441 1.00 23.34 O ATOM 533 NE2 GLN A 80 1.773 -12.691 0.358 1.00 27.29 N ATOM 534 HE22 GLN A 80 1.139 -12.799 1.176 1.00 0.00 H ATOM 535 HE21 GLN A 80 1.491 -13.064 -0.571 1.00 0.00 H ATOM 536 H GLN A 80 7.190 -11.401 1.690 1.00 0.00 H ATOM 537 N LEU A 81 4.251 -8.132 1.874 1.00 13.12 N ATOM 538 CA LEU A 81 3.954 -6.873 2.562 1.00 12.19 C ATOM 539 C LEU A 81 3.489 -7.124 3.996 1.00 11.83 C ATOM 540 O LEU A 81 2.996 -8.208 4.304 1.00 11.83 O ATOM 541 CB LEU A 81 2.874 -6.094 1.800 1.00 9.18 C ATOM 542 CG LEU A 81 3.254 -5.497 0.436 1.00 10.16 C ATOM 543 CD1 LEU A 81 1.974 -4.975 -0.312 1.00 5.62 C ATOM 544 CD2 LEU A 81 4.292 -4.360 0.670 1.00 6.23 C ATOM 545 H LEU A 81 3.697 -8.381 1.030 1.00 0.00 H ATOM 546 N SER A 82 3.662 -6.115 4.857 1.00 12.35 N ATOM 547 CA SER A 82 3.272 -6.164 6.275 1.00 12.87 C ATOM 548 C SER A 82 1.802 -6.501 6.471 1.00 13.38 C ATOM 549 O SER A 82 1.423 -7.232 7.413 1.00 11.15 O ATOM 550 CB SER A 82 3.511 -4.803 6.954 1.00 13.93 C ATOM 551 OG SER A 82 4.881 -4.542 7.132 1.00 18.55 O ATOM 552 HG SER A 82 5.331 -4.534 6.250 1.00 0.00 H ATOM 553 H SER A 82 4.100 -5.241 4.502 1.00 0.00 H ATOM 554 N SER A 83 0.972 -5.941 5.593 1.00 13.08 N ATOM 555 CA SER A 83 -0.464 -6.151 5.689 1.00 12.76 C ATOM 556 C SER A 83 -0.816 -7.611 5.497 1.00 14.76 C ATOM 557 O SER A 83 -1.923 -8.023 5.812 1.00 16.94 O ATOM 558 CB SER A 83 -1.200 -5.289 4.661 1.00 10.17 C ATOM 559 OG SER A 83 -0.771 -5.586 3.345 1.00 7.35 O ATOM 560 HG SER A 83 0.200 -5.411 3.268 1.00 0.00 H ATOM 561 H SER A 83 1.355 -5.347 4.830 1.00 0.00 H ATOM 562 N ASN A 84 0.119 -8.413 4.996 1.00 16.16 N ATOM 563 CA ASN A 84 -0.200 -9.825 4.796 1.00 16.89 C ATOM 564 C ASN A 84 0.347 -10.749 5.904 1.00 16.61 C ATOM 565 O ASN A 84 0.174 -11.973 5.845 1.00 18.16 O ATOM 566 CB ASN A 84 0.274 -10.271 3.403 1.00 18.57 C ATOM 567 CG ASN A 84 -0.719 -11.206 2.726 1.00 19.48 C ATOM 568 OD1 ASN A 84 -1.932 -11.084 2.922 1.00 20.31 O ATOM 569 ND2 ASN A 84 -0.218 -12.120 1.907 1.00 19.04 N ATOM 570 HD22 ASN A 84 0.811 -12.188 1.771 1.00 0.00 H ATOM 571 HD21 ASN A 84 -0.854 -12.769 1.401 1.00 0.00 H ATOM 572 H ASN A 84 1.059 -8.042 4.751 1.00 0.00 H ATOM 573 N LEU A 85 0.992 -10.162 6.914 1.00 15.94 N ATOM 574 CA LEU A 85 1.521 -10.925 8.058 1.00 16.79 C ATOM 575 C LEU A 85 0.361 -11.495 8.880 1.00 18.55 C ATOM 576 O LEU A 85 -0.611 -10.784 9.165 1.00 18.92 O ATOM 577 CB LEU A 85 2.334 -10.023 8.995 1.00 13.81 C ATOM 578 CG LEU A 85 3.708 -9.434 8.670 1.00 13.60 C ATOM 579 CD1 LEU A 85 4.040 -8.334 9.711 1.00 10.61 C ATOM 580 CD2 LEU A 85 4.774 -10.554 8.666 1.00 12.68 C ATOM 581 H LEU A 85 1.126 -9.131 6.893 1.00 0.00 H ATOM 582 N MET A 86 0.446 -12.759 9.276 1.00 19.95 N ATOM 583 CA MET A 86 -0.627 -13.304 10.090 1.00 23.20 C ATOM 584 C MET A 86 -0.473 -12.754 11.505 1.00 22.95 C ATOM 585 O MET A 86 0.642 -12.519 11.982 1.00 23.49 O ATOM 586 CB MET A 86 -0.651 -14.845 10.058 1.00 25.71 C ATOM 587 CG MET A 86 0.673 -15.550 10.218 1.00 30.55 C ATOM 588 SD MET A 86 0.479 -17.352 10.110 1.00 35.45 S ATOM 589 CE MET A 86 -0.488 -17.677 11.612 1.00 34.30 C ATOM 590 H MET A 86 1.262 -13.346 9.010 1.00 0.00 H ATOM 591 N PRO A 87 -1.601 -12.527 12.191 1.00 22.26 N ATOM 592 CA PRO A 87 -1.617 -11.990 13.552 1.00 21.55 C ATOM 593 C PRO A 87 -0.620 -12.679 14.482 1.00 20.67 C ATOM 594 O PRO A 87 -0.496 -13.896 14.469 1.00 20.94 O ATOM 595 CB PRO A 87 -3.072 -12.194 13.967 1.00 22.01 C ATOM 596 CG PRO A 87 -3.790 -11.944 12.665 1.00 21.89 C ATOM 597 CD PRO A 87 -2.971 -12.853 11.764 1.00 21.82 C ATOM 598 N GLY A 88 0.079 -11.887 15.290 1.00 19.93 N ATOM 599 CA GLY A 88 1.059 -12.442 16.202 1.00 18.60 C ATOM 600 C GLY A 88 2.463 -12.427 15.602 1.00 17.89 C ATOM 601 O GLY A 88 3.431 -12.811 16.254 1.00 18.34 O ATOM 602 H GLY A 88 -0.079 -10.859 15.267 1.00 0.00 H ATOM 603 N CYS A 89 2.579 -11.996 14.351 1.00 16.57 N ATOM 604 CA CYS A 89 3.884 -11.927 13.710 1.00 14.99 C ATOM 605 C CYS A 89 4.345 -10.484 13.534 1.00 14.22 C ATOM 606 O CYS A 89 3.527 -9.557 13.490 1.00 13.33 O ATOM 607 CB CYS A 89 3.834 -12.635 12.351 1.00 16.34 C ATOM 608 SG CYS A 89 3.454 -14.431 12.417 1.00 15.95 S ATOM 609 H CYS A 89 1.730 -11.705 13.825 1.00 0.00 H ATOM 610 N ASP A 90 5.657 -10.301 13.423 1.00 15.16 N ATOM 611 CA ASP A 90 6.246 -8.975 13.237 1.00 14.87 C ATOM 612 C ASP A 90 7.339 -8.967 12.167 1.00 14.30 C ATOM 613 O ASP A 90 7.809 -10.019 11.717 1.00 14.80 O ATOM 614 CB ASP A 90 6.941 -8.468 14.508 1.00 15.18 C ATOM 615 CG ASP A 90 6.147 -8.704 15.769 1.00 15.28 C ATOM 616 OD1 ASP A 90 4.973 -8.320 15.848 1.00 17.55 O ATOM 617 OD2 ASP A 90 6.726 -9.260 16.714 1.00 18.51 O ATOM 618 H ASP A 90 6.286 -11.128 13.470 1.00 0.00 H ATOM 619 N TYR A 91 7.735 -7.746 11.800 1.00 11.77 N ATOM 620 CA TYR A 91 8.829 -7.462 10.880 1.00 9.15 C ATOM 621 C TYR A 91 9.636 -6.469 11.689 1.00 8.78 C ATOM 622 O TYR A 91 9.070 -5.670 12.417 1.00 7.54 O ATOM 623 CB TYR A 91 8.369 -6.765 9.601 1.00 8.66 C ATOM 624 CG TYR A 91 8.063 -7.677 8.447 1.00 9.15 C ATOM 625 CD1 TYR A 91 7.070 -7.328 7.541 1.00 7.63 C ATOM 626 CD2 TYR A 91 8.741 -8.905 8.261 1.00 8.19 C ATOM 627 CE1 TYR A 91 6.731 -8.140 6.498 1.00 5.69 C ATOM 628 CE2 TYR A 91 8.399 -9.746 7.181 1.00 9.32 C ATOM 629 CZ TYR A 91 7.373 -9.333 6.309 1.00 8.90 C ATOM 630 OH TYR A 91 6.938 -10.100 5.251 1.00 11.84 O ATOM 631 HH TYR A 91 6.215 -9.621 4.773 1.00 0.00 H ATOM 632 H TYR A 91 7.223 -6.935 12.202 1.00 0.00 H ATOM 633 N SER A 92 10.951 -6.528 11.564 1.00 8.30 N ATOM 634 CA SER A 92 11.815 -5.616 12.285 1.00 10.64 C ATOM 635 C SER A 92 12.996 -5.229 11.417 1.00 9.13 C ATOM 636 O SER A 92 13.622 -6.087 10.813 1.00 10.25 O ATOM 637 CB SER A 92 12.346 -6.276 13.580 1.00 11.92 C ATOM 638 OG SER A 92 11.294 -6.583 14.477 1.00 13.72 O ATOM 639 HG SER A 92 10.663 -7.210 14.042 1.00 0.00 H ATOM 640 H SER A 92 11.373 -7.242 10.937 1.00 0.00 H ATOM 641 N LEU A 93 13.296 -3.940 11.338 1.00 9.09 N ATOM 642 CA LEU A 93 14.465 -3.526 10.574 1.00 9.34 C ATOM 643 C LEU A 93 15.418 -2.860 11.556 1.00 8.60 C ATOM 644 O LEU A 93 15.106 -1.808 12.102 1.00 9.35 O ATOM 645 CB LEU A 93 14.109 -2.535 9.464 1.00 8.28 C ATOM 646 CG LEU A 93 15.274 -2.299 8.479 1.00 10.71 C ATOM 647 CD1 LEU A 93 15.505 -3.561 7.646 1.00 6.58 C ATOM 648 CD2 LEU A 93 14.964 -1.131 7.554 1.00 10.20 C ATOM 649 H LEU A 93 12.703 -3.232 11.816 1.00 0.00 H ATOM 650 N PHE A 94 16.579 -3.467 11.777 1.00 9.21 N ATOM 651 CA PHE A 94 17.565 -2.908 12.701 1.00 9.48 C ATOM 652 C PHE A 94 18.967 -2.791 12.131 1.00 11.20 C ATOM 653 O PHE A 94 19.355 -3.525 11.207 1.00 9.36 O ATOM 654 CB PHE A 94 17.635 -3.740 14.002 1.00 7.87 C ATOM 655 CG PHE A 94 16.566 -3.403 14.992 1.00 7.39 C ATOM 656 CD1 PHE A 94 15.229 -3.643 14.710 1.00 6.63 C ATOM 657 CD2 PHE A 94 16.897 -2.769 16.198 1.00 7.45 C ATOM 658 CE1 PHE A 94 14.233 -3.249 15.611 1.00 6.72 C ATOM 659 CE2 PHE A 94 15.913 -2.382 17.092 1.00 7.62 C ATOM 660 CZ PHE A 94 14.581 -2.618 16.800 1.00 6.61 C ATOM 661 H PHE A 94 16.791 -4.357 11.283 1.00 0.00 H ATOM 662 N LYS A 95 19.740 -1.869 12.699 1.00 12.02 N ATOM 663 CA LYS A 95 21.107 -1.705 12.239 1.00 14.25 C ATOM 664 C LYS A 95 21.806 -3.007 12.511 1.00 13.82 C ATOM 665 O LYS A 95 21.513 -3.687 13.498 1.00 15.17 O ATOM 666 CB LYS A 95 21.809 -0.558 12.964 1.00 14.08 C ATOM 667 CG LYS A 95 21.180 0.788 12.668 1.00 14.47 C ATOM 668 CD LYS A 95 21.949 1.931 13.299 1.00 16.99 C ATOM 669 CE LYS A 95 21.244 3.260 13.050 1.00 17.36 C ATOM 670 NZ LYS A 95 21.889 4.375 13.801 1.00 15.96 N ATOM 671 HZ1 LYS A 95 21.854 4.171 14.820 1.00 0.00 H ATOM 672 HZ2 LYS A 95 22.880 4.467 13.499 1.00 0.00 H ATOM 673 HZ3 LYS A 95 21.382 5.262 13.606 1.00 0.00 H ATOM 674 H LYS A 95 19.368 -1.272 13.465 1.00 0.00 H ATOM 675 N ASP A 96 22.706 -3.377 11.618 1.00 13.90 N ATOM 676 CA ASP A 96 23.436 -4.621 11.777 1.00 14.47 C ATOM 677 C ASP A 96 24.109 -4.724 13.165 1.00 14.36 C ATOM 678 O ASP A 96 24.784 -3.793 13.622 1.00 12.83 O ATOM 679 CB ASP A 96 24.457 -4.720 10.651 1.00 16.81 C ATOM 680 CG ASP A 96 25.201 -6.027 10.655 1.00 18.41 C ATOM 681 OD1 ASP A 96 24.590 -7.049 11.015 1.00 18.27 O ATOM 682 OD2 ASP A 96 26.389 -6.036 10.270 1.00 21.95 O ATOM 683 H ASP A 96 22.893 -2.771 10.794 1.00 0.00 H ATOM 684 N GLY A 97 23.895 -5.844 13.844 1.00 15.06 N ATOM 685 CA GLY A 97 24.494 -6.033 15.155 1.00 16.10 C ATOM 686 C GLY A 97 23.598 -5.680 16.333 1.00 17.36 C ATOM 687 O GLY A 97 23.971 -5.867 17.491 1.00 17.23 O ATOM 688 H GLY A 97 23.296 -6.590 13.436 1.00 0.00 H ATOM 689 N ILE A 98 22.421 -5.143 16.055 1.00 18.36 N ATOM 690 CA ILE A 98 21.495 -4.810 17.123 1.00 18.27 C ATOM 691 C ILE A 98 20.314 -5.758 16.950 1.00 18.30 C ATOM 692 O ILE A 98 19.636 -5.718 15.928 1.00 19.05 O ATOM 693 CB ILE A 98 20.979 -3.362 17.002 1.00 18.18 C ATOM 694 CG1 ILE A 98 22.147 -2.375 17.009 1.00 17.24 C ATOM 695 CG2 ILE A 98 20.022 -3.069 18.139 1.00 17.67 C ATOM 696 CD1 ILE A 98 21.799 -0.962 16.543 1.00 20.33 C ATOM 697 H ILE A 98 22.158 -4.958 15.066 1.00 0.00 H ATOM 698 N GLU A 99 20.070 -6.613 17.934 1.00 17.87 N ATOM 699 CA GLU A 99 18.956 -7.543 17.839 1.00 18.06 C ATOM 700 C GLU A 99 17.680 -6.795 18.221 1.00 17.51 C ATOM 701 O GLU A 99 17.669 -6.020 19.171 1.00 16.21 O ATOM 702 CB GLU A 99 19.182 -8.752 18.762 1.00 19.53 C ATOM 703 CG GLU A 99 20.533 -9.472 18.560 1.00 21.27 C ATOM 704 CD GLU A 99 20.614 -10.803 19.313 1.00 25.29 C ATOM 705 OE1 GLU A 99 20.095 -11.826 18.806 1.00 26.96 O ATOM 706 OE2 GLU A 99 21.171 -10.823 20.429 1.00 25.84 O ATOM 707 H GLU A 99 20.678 -6.618 18.778 1.00 0.00 H ATOM 708 N PRO A 100 16.587 -7.011 17.464 1.00 18.81 N ATOM 709 CA PRO A 100 15.302 -6.349 17.720 1.00 18.52 C ATOM 710 C PRO A 100 14.640 -6.746 19.035 1.00 18.04 C ATOM 711 O PRO A 100 13.492 -7.202 19.053 1.00 18.19 O ATOM 712 CB PRO A 100 14.478 -6.739 16.491 1.00 17.31 C ATOM 713 CG PRO A 100 14.984 -8.130 16.210 1.00 17.81 C ATOM 714 CD PRO A 100 16.480 -7.872 16.269 1.00 18.03 C ATOM 715 N MET A 101 15.359 -6.550 20.135 1.00 17.65 N ATOM 716 CA MET A 101 14.850 -6.914 21.454 1.00 18.11 C ATOM 717 C MET A 101 15.322 -5.947 22.545 1.00 17.97 C ATOM 718 O MET A 101 16.353 -5.292 22.397 1.00 16.27 O ATOM 719 CB MET A 101 15.286 -8.345 21.781 1.00 18.73 C ATOM 720 CG MET A 101 16.792 -8.529 21.831 1.00 23.27 C ATOM 721 SD MET A 101 17.311 -10.248 22.122 1.00 27.60 S ATOM 722 CE MET A 101 19.112 -10.005 22.300 1.00 26.20 C ATOM 723 H MET A 101 16.306 -6.128 20.055 1.00 0.00 H ATOM 724 N TRP A 102 14.566 -5.857 23.639 1.00 18.08 N ATOM 725 CA TRP A 102 14.919 -4.944 24.728 1.00 19.37 C ATOM 726 C TRP A 102 16.301 -5.188 25.381 1.00 20.08 C ATOM 727 O TRP A 102 17.023 -4.238 25.695 1.00 18.86 O ATOM 728 CB TRP A 102 13.847 -4.983 25.835 1.00 19.71 C ATOM 729 CG TRP A 102 12.409 -4.820 25.391 1.00 18.16 C ATOM 730 CD1 TRP A 102 11.913 -3.902 24.497 1.00 18.15 C ATOM 731 CD2 TRP A 102 11.273 -5.544 25.888 1.00 19.38 C ATOM 732 NE1 TRP A 102 10.546 -4.013 24.410 1.00 17.74 N ATOM 733 CE2 TRP A 102 10.126 -5.011 25.252 1.00 18.91 C ATOM 734 CE3 TRP A 102 11.111 -6.593 26.811 1.00 19.52 C ATOM 735 CZ2 TRP A 102 8.834 -5.493 25.510 1.00 20.10 C ATOM 736 CZ3 TRP A 102 9.828 -7.071 27.067 1.00 19.22 C ATOM 737 CH2 TRP A 102 8.705 -6.519 26.416 1.00 20.58 C ATOM 738 HE1 TRP A 102 9.930 -3.434 23.804 1.00 0.00 H ATOM 739 H TRP A 102 13.712 -6.445 23.720 1.00 0.00 H ATOM 740 N GLU A 103 16.664 -6.456 25.567 1.00 21.34 N ATOM 741 CA GLU A 103 17.924 -6.837 26.224 1.00 22.25 C ATOM 742 C GLU A 103 19.217 -6.400 25.549 1.00 21.66 C ATOM 743 O GLU A 103 20.248 -6.293 26.204 1.00 21.12 O ATOM 744 CB GLU A 103 17.985 -8.356 26.452 1.00 23.67 C ATOM 745 CG GLU A 103 16.871 -8.934 27.318 1.00 28.63 C ATOM 746 CD GLU A 103 15.498 -8.865 26.655 1.00 31.47 C ATOM 747 OE1 GLU A 103 14.968 -7.752 26.452 1.00 33.65 O ATOM 748 OE2 GLU A 103 14.946 -9.929 26.324 1.00 34.59 O ATOM 749 H GLU A 103 16.029 -7.209 25.233 1.00 0.00 H ATOM 750 N ASP A 104 19.175 -6.161 24.244 1.00 21.14 N ATOM 751 CA ASP A 104 20.362 -5.720 23.542 1.00 19.26 C ATOM 752 C ASP A 104 20.875 -4.485 24.286 1.00 19.92 C ATOM 753 O ASP A 104 20.077 -3.686 24.785 1.00 19.70 O ATOM 754 CB ASP A 104 20.025 -5.334 22.104 1.00 18.69 C ATOM 755 CG ASP A 104 21.268 -5.182 21.239 1.00 19.05 C ATOM 756 OD1 ASP A 104 21.599 -6.136 20.507 1.00 18.08 O ATOM 757 OD2 ASP A 104 21.928 -4.120 21.302 1.00 15.95 O ATOM 758 H ASP A 104 18.284 -6.291 23.723 1.00 0.00 H ATOM 759 N GLU A 105 22.198 -4.339 24.362 1.00 19.58 N ATOM 760 CA GLU A 105 22.835 -3.207 25.030 1.00 19.80 C ATOM 761 C GLU A 105 22.426 -1.853 24.465 1.00 19.87 C ATOM 762 O GLU A 105 22.452 -0.842 25.177 1.00 19.50 O ATOM 763 CB GLU A 105 24.358 -3.335 24.945 1.00 22.35 C ATOM 764 CG GLU A 105 24.977 -4.146 26.068 1.00 24.65 C ATOM 765 CD GLU A 105 24.741 -3.491 27.414 1.00 26.05 C ATOM 766 OE1 GLU A 105 25.128 -2.313 27.593 1.00 26.82 O ATOM 767 OE2 GLU A 105 24.159 -4.150 28.292 1.00 28.66 O ATOM 768 H GLU A 105 22.804 -5.064 23.926 1.00 0.00 H ATOM 769 N LYS A 106 22.059 -1.849 23.185 1.00 19.82 N ATOM 770 CA LYS A 106 21.643 -0.648 22.460 1.00 20.56 C ATOM 771 C LYS A 106 20.162 -0.311 22.624 1.00 20.87 C ATOM 772 O LYS A 106 19.708 0.753 22.185 1.00 19.75 O ATOM 773 CB LYS A 106 21.940 -0.820 20.967 1.00 21.52 C ATOM 774 CG LYS A 106 23.372 -0.549 20.545 1.00 22.49 C ATOM 775 CD LYS A 106 23.605 0.955 20.594 1.00 23.70 C ATOM 776 CE LYS A 106 24.889 1.374 19.927 1.00 23.15 C ATOM 777 NZ LYS A 106 24.964 2.868 19.964 1.00 24.85 N ATOM 778 HZ1 LYS A 106 24.149 3.267 19.457 1.00 0.00 H ATOM 779 HZ2 LYS A 106 24.951 3.190 20.953 1.00 0.00 H ATOM 780 HZ3 LYS A 106 25.845 3.181 19.508 1.00 0.00 H ATOM 781 H LYS A 106 22.069 -2.753 22.670 1.00 0.00 H ATOM 782 N ASN A 107 19.408 -1.215 23.240 1.00 20.48 N ATOM 783 CA ASN A 107 17.978 -0.987 23.433 1.00 21.14 C ATOM 784 C ASN A 107 17.520 -0.902 24.892 1.00 22.02 C ATOM 785 O ASN A 107 16.501 -0.271 25.182 1.00 23.30 O ATOM 786 CB ASN A 107 17.144 -2.093 22.754 1.00 19.36 C ATOM 787 CG ASN A 107 17.365 -2.174 21.255 1.00 19.40 C ATOM 788 OD1 ASN A 107 17.569 -1.161 20.595 1.00 19.24 O ATOM 789 ND2 ASN A 107 17.281 -3.383 20.704 1.00 18.86 N ATOM 790 HD22 ASN A 107 17.107 -4.216 21.302 1.00 0.00 H ATOM 791 HD21 ASN A 107 17.390 -3.495 19.676 1.00 0.00 H ATOM 792 H ASN A 107 19.840 -2.094 23.588 1.00 0.00 H ATOM 793 N LYS A 108 18.254 -1.540 25.802 1.00 22.49 N ATOM 794 CA LYS A 108 17.854 -1.571 27.209 1.00 23.20 C ATOM 795 C LYS A 108 17.550 -0.217 27.827 1.00 22.21 C ATOM 796 O LYS A 108 16.575 -0.079 28.558 1.00 22.70 O ATOM 797 CB LYS A 108 18.895 -2.316 28.052 1.00 24.91 C ATOM 798 CG LYS A 108 20.304 -1.823 27.887 1.00 26.85 C ATOM 799 CD LYS A 108 21.209 -2.453 28.923 1.00 29.73 C ATOM 800 CE LYS A 108 21.259 -3.956 28.807 1.00 31.30 C ATOM 801 NZ LYS A 108 22.084 -4.517 29.916 1.00 32.83 N ATOM 802 HZ1 LYS A 108 23.049 -4.133 29.857 1.00 0.00 H ATOM 803 HZ2 LYS A 108 21.660 -4.254 30.829 1.00 0.00 H ATOM 804 HZ3 LYS A 108 22.116 -5.553 29.833 1.00 0.00 H ATOM 805 H LYS A 108 19.126 -2.024 25.508 1.00 0.00 H ATOM 806 N ARG A 109 18.362 0.786 27.527 1.00 21.33 N ATOM 807 CA ARG A 109 18.121 2.125 28.058 1.00 21.07 C ATOM 808 C ARG A 109 17.297 2.999 27.093 1.00 20.81 C ATOM 809 O ARG A 109 17.048 4.176 27.361 1.00 18.71 O ATOM 810 CB ARG A 109 19.458 2.799 28.372 1.00 20.43 C ATOM 811 CG ARG A 109 20.281 2.050 29.420 1.00 22.87 C ATOM 812 CD ARG A 109 21.685 2.632 29.545 1.00 24.18 C ATOM 813 NE ARG A 109 22.414 2.533 28.283 1.00 26.97 N ATOM 814 CZ ARG A 109 22.801 1.389 27.727 1.00 28.20 C ATOM 815 NH1 ARG A 109 22.531 0.242 28.324 1.00 29.47 N ATOM 816 NH2 ARG A 109 23.455 1.390 26.570 1.00 28.73 N ATOM 817 HE ARG A 109 22.646 3.417 27.786 1.00 0.00 H ATOM 818 HH12 ARG A 109 22.833 -0.654 27.890 1.00 0.00 H ATOM 819 HH11 ARG A 109 22.016 0.235 29.228 1.00 0.00 H ATOM 820 HH22 ARG A 109 23.755 0.491 26.141 1.00 0.00 H ATOM 821 HH21 ARG A 109 23.667 2.290 26.093 1.00 0.00 H ATOM 822 H ARG A 109 19.180 0.618 26.907 1.00 0.00 H ATOM 823 N GLY A 110 16.860 2.417 25.979 1.00 20.69 N ATOM 824 CA GLY A 110 16.096 3.189 25.016 1.00 22.11 C ATOM 825 C GLY A 110 14.575 3.101 25.112 1.00 22.30 C ATOM 826 O GLY A 110 13.998 2.884 26.189 1.00 22.37 O ATOM 827 H GLY A 110 17.065 1.413 25.799 1.00 0.00 H ATOM 828 N GLY A 111 13.927 3.276 23.961 1.00 20.99 N ATOM 829 CA GLY A 111 12.480 3.230 23.888 1.00 18.95 C ATOM 830 C GLY A 111 12.064 3.519 22.463 1.00 18.27 C ATOM 831 O GLY A 111 12.893 3.425 21.548 1.00 15.98 O ATOM 832 H GLY A 111 14.473 3.450 23.093 1.00 0.00 H ATOM 833 N ARG A 112 10.793 3.858 22.254 1.00 18.13 N ATOM 834 CA ARG A 112 10.344 4.152 20.905 1.00 18.31 C ATOM 835 C ARG A 112 9.133 5.056 20.739 1.00 17.87 C ATOM 836 O ARG A 112 8.399 5.339 21.690 1.00 16.72 O ATOM 837 CB ARG A 112 10.057 2.867 20.142 1.00 19.87 C ATOM 838 CG ARG A 112 8.738 2.168 20.468 1.00 23.07 C ATOM 839 CD ARG A 112 8.848 1.246 21.644 1.00 24.59 C ATOM 840 NE ARG A 112 7.862 0.174 21.558 1.00 24.21 N ATOM 841 CZ ARG A 112 6.555 0.339 21.697 1.00 25.12 C ATOM 842 NH1 ARG A 112 6.074 1.548 21.932 1.00 28.05 N ATOM 843 NH2 ARG A 112 5.733 -0.697 21.593 1.00 22.34 N ATOM 844 HE ARG A 112 8.210 -0.789 21.374 1.00 0.00 H ATOM 845 HH12 ARG A 112 5.049 1.688 22.043 1.00 0.00 H ATOM 846 HH11 ARG A 112 6.720 2.359 22.006 1.00 0.00 H ATOM 847 HH22 ARG A 112 4.708 -0.561 21.703 1.00 0.00 H ATOM 848 HH21 ARG A 112 6.114 -1.646 21.401 1.00 0.00 H ATOM 849 H ARG A 112 10.127 3.912 23.051 1.00 0.00 H ATOM 850 N TRP A 113 8.971 5.527 19.502 1.00 16.48 N ATOM 851 CA TRP A 113 7.836 6.345 19.103 1.00 15.14 C ATOM 852 C TRP A 113 6.869 5.315 18.536 1.00 15.47 C ATOM 853 O TRP A 113 7.234 4.538 17.649 1.00 15.22 O ATOM 854 CB TRP A 113 8.221 7.360 18.019 1.00 14.77 C ATOM 855 CG TRP A 113 8.903 8.568 18.581 1.00 15.09 C ATOM 856 CD1 TRP A 113 10.237 8.858 18.552 1.00 13.70 C ATOM 857 CD2 TRP A 113 8.280 9.617 19.330 1.00 14.78 C ATOM 858 NE1 TRP A 113 10.482 10.024 19.241 1.00 14.88 N ATOM 859 CE2 TRP A 113 9.296 10.510 19.726 1.00 14.97 C ATOM 860 CE3 TRP A 113 6.954 9.887 19.706 1.00 15.42 C ATOM 861 CZ2 TRP A 113 9.028 11.658 20.481 1.00 16.76 C ATOM 862 CZ3 TRP A 113 6.689 11.027 20.459 1.00 15.47 C ATOM 863 CH2 TRP A 113 7.721 11.897 20.837 1.00 15.42 C ATOM 864 HE1 TRP A 113 11.415 10.464 19.372 1.00 0.00 H ATOM 865 H TRP A 113 9.691 5.298 18.788 1.00 0.00 H ATOM 866 N LEU A 114 5.643 5.317 19.045 1.00 15.99 N ATOM 867 CA LEU A 114 4.634 4.346 18.641 1.00 16.18 C ATOM 868 C LEU A 114 3.519 4.957 17.795 1.00 16.61 C ATOM 869 O LEU A 114 3.022 6.045 18.093 1.00 15.09 O ATOM 870 CB LEU A 114 4.003 3.747 19.899 1.00 16.61 C ATOM 871 CG LEU A 114 3.543 2.295 20.000 1.00 18.27 C ATOM 872 CD1 LEU A 114 2.385 2.286 21.008 1.00 16.75 C ATOM 873 CD2 LEU A 114 3.085 1.726 18.669 1.00 17.78 C ATOM 874 H LEU A 114 5.394 6.035 19.755 1.00 0.00 H ATOM 875 N ILE A 115 3.115 4.216 16.764 1.00 17.44 N ATOM 876 CA ILE A 115 2.033 4.597 15.863 1.00 17.06 C ATOM 877 C ILE A 115 1.022 3.469 16.011 1.00 18.60 C ATOM 878 O ILE A 115 1.362 2.297 15.838 1.00 19.17 O ATOM 879 CB ILE A 115 2.502 4.641 14.400 1.00 18.03 C ATOM 880 CG1 ILE A 115 3.675 5.620 14.251 1.00 18.96 C ATOM 881 CG2 ILE A 115 1.344 5.002 13.499 1.00 18.25 C ATOM 882 CD1 ILE A 115 3.405 7.110 14.591 1.00 20.33 C ATOM 883 H ILE A 115 3.600 3.312 16.591 1.00 0.00 H ATOM 884 N THR A 116 -0.212 3.827 16.334 1.00 18.94 N ATOM 885 CA THR A 116 -1.292 2.863 16.551 1.00 18.80 C ATOM 886 C THR A 116 -2.288 2.807 15.403 1.00 18.76 C ATOM 887 O THR A 116 -2.685 3.841 14.869 1.00 17.95 O ATOM 888 CB THR A 116 -2.033 3.202 17.869 1.00 18.96 C ATOM 889 OG1 THR A 116 -1.211 2.808 18.977 1.00 22.98 O ATOM 890 CG2 THR A 116 -3.372 2.510 17.948 1.00 23.28 C ATOM 891 HG1 THR A 116 -1.677 3.021 19.824 1.00 0.00 H ATOM 892 H THR A 116 -0.423 4.840 16.438 1.00 0.00 H ATOM 893 N LEU A 117 -2.697 1.598 15.031 1.00 18.92 N ATOM 894 CA LEU A 117 -3.643 1.432 13.928 1.00 20.05 C ATOM 895 C LEU A 117 -4.684 0.357 14.230 1.00 19.34 C ATOM 896 O LEU A 117 -4.324 -0.736 14.662 1.00 17.63 O ATOM 897 CB LEU A 117 -2.904 1.017 12.649 1.00 21.62 C ATOM 898 CG LEU A 117 -1.753 1.838 12.086 1.00 21.68 C ATOM 899 CD1 LEU A 117 -1.352 1.262 10.732 1.00 24.17 C ATOM 900 CD2 LEU A 117 -2.191 3.268 11.904 1.00 23.32 C ATOM 901 H LEU A 117 -2.340 0.759 15.531 1.00 0.00 H ATOM 902 N ASN A 118 -5.965 0.649 14.011 1.00 18.44 N ATOM 903 CA ASN A 118 -6.946 -0.389 14.257 1.00 18.33 C ATOM 904 C ASN A 118 -6.857 -1.363 13.083 1.00 18.37 C ATOM 905 O ASN A 118 -6.311 -1.025 12.018 1.00 16.92 O ATOM 906 CB ASN A 118 -8.373 0.176 14.417 1.00 20.53 C ATOM 907 CG ASN A 118 -8.816 1.031 13.243 1.00 23.13 C ATOM 908 OD1 ASN A 118 -8.894 2.262 13.356 1.00 26.57 O ATOM 909 ND2 ASN A 118 -9.110 0.392 12.110 1.00 22.19 N ATOM 910 HD22 ASN A 118 -9.030 -0.644 12.061 1.00 0.00 H ATOM 911 HD21 ASN A 118 -9.419 0.929 11.275 1.00 0.00 H ATOM 912 H ASN A 118 -6.252 1.590 13.675 1.00 0.00 H ATOM 913 N LYS A 119 -7.366 -2.573 13.288 1.00 16.92 N ATOM 914 CA LYS A 119 -7.318 -3.607 12.264 1.00 17.39 C ATOM 915 C LYS A 119 -7.938 -3.202 10.926 1.00 16.56 C ATOM 916 O LYS A 119 -7.510 -3.688 9.883 1.00 15.70 O ATOM 917 CB LYS A 119 -7.979 -4.894 12.789 1.00 15.85 C ATOM 918 H LYS A 119 -7.810 -2.787 14.204 1.00 0.00 H ATOM 919 N GLN A 120 -8.931 -2.313 10.952 1.00 16.80 N ATOM 920 CA GLN A 120 -9.601 -1.878 9.724 1.00 15.96 C ATOM 921 C GLN A 120 -8.716 -1.052 8.788 1.00 16.22 C ATOM 922 O GLN A 120 -9.052 -0.846 7.615 1.00 17.09 O ATOM 923 CB GLN A 120 -10.879 -1.098 10.065 1.00 16.51 C ATOM 924 H GLN A 120 -9.237 -1.919 11.865 1.00 0.00 H ATOM 925 N GLN A 121 -7.589 -0.576 9.296 1.00 13.86 N ATOM 926 CA GLN A 121 -6.665 0.194 8.465 1.00 14.91 C ATOM 927 C GLN A 121 -5.594 -0.679 7.799 1.00 14.07 C ATOM 928 O GLN A 121 -4.793 -0.179 7.016 1.00 14.46 O ATOM 929 CB GLN A 121 -5.951 1.246 9.316 1.00 14.70 C ATOM 930 CG GLN A 121 -6.828 2.366 9.830 1.00 17.07 C ATOM 931 CD GLN A 121 -6.091 3.233 10.834 1.00 17.09 C ATOM 932 OE1 GLN A 121 -6.110 2.966 12.038 1.00 14.72 O ATOM 933 NE2 GLN A 121 -5.407 4.259 10.333 1.00 16.43 N ATOM 934 HE22 GLN A 121 -5.422 4.444 9.310 1.00 0.00 H ATOM 935 HE21 GLN A 121 -4.858 4.876 10.965 1.00 0.00 H ATOM 936 H GLN A 121 -7.359 -0.752 10.295 1.00 0.00 H ATOM 937 N ARG A 122 -5.583 -1.973 8.098 1.00 13.78 N ATOM 938 CA ARG A 122 -4.548 -2.865 7.574 1.00 15.14 C ATOM 939 C ARG A 122 -4.272 -2.853 6.059 1.00 15.18 C ATOM 940 O ARG A 122 -3.117 -2.739 5.637 1.00 15.89 O ATOM 941 CB ARG A 122 -4.807 -4.306 8.064 1.00 14.09 C ATOM 942 CG ARG A 122 -3.633 -5.282 7.871 1.00 14.66 C ATOM 943 CD ARG A 122 -3.888 -6.600 8.628 1.00 14.37 C ATOM 944 NE ARG A 122 -4.000 -6.385 10.074 1.00 12.55 N ATOM 945 CZ ARG A 122 -4.720 -7.155 10.886 1.00 12.64 C ATOM 946 NH1 ARG A 122 -5.385 -8.187 10.392 1.00 13.99 N ATOM 947 NH2 ARG A 122 -4.814 -6.880 12.179 1.00 11.42 N ATOM 948 HE ARG A 122 -3.486 -5.582 10.490 1.00 0.00 H ATOM 949 HH12 ARG A 122 -5.949 -8.792 11.022 1.00 0.00 H ATOM 950 HH11 ARG A 122 -5.343 -8.393 9.373 1.00 0.00 H ATOM 951 HH22 ARG A 122 -5.381 -7.491 12.801 1.00 0.00 H ATOM 952 HH21 ARG A 122 -4.321 -6.053 12.572 1.00 0.00 H ATOM 953 H ARG A 122 -6.324 -2.360 8.716 1.00 0.00 H ATOM 954 N ARG A 123 -5.310 -2.932 5.241 1.00 15.41 N ATOM 955 CA ARG A 123 -5.110 -2.956 3.797 1.00 15.80 C ATOM 956 C ARG A 123 -4.968 -1.601 3.129 1.00 14.85 C ATOM 957 O ARG A 123 -4.684 -1.544 1.929 1.00 13.43 O ATOM 958 CB ARG A 123 -6.247 -3.718 3.125 1.00 16.44 C ATOM 959 CG ARG A 123 -6.327 -5.178 3.507 1.00 19.26 C ATOM 960 CD ARG A 123 -5.249 -6.006 2.860 1.00 19.78 C ATOM 961 NE ARG A 123 -5.396 -7.412 3.219 1.00 19.80 N ATOM 962 CZ ARG A 123 -4.586 -8.379 2.806 1.00 19.79 C ATOM 963 NH1 ARG A 123 -3.571 -8.096 2.013 1.00 20.60 N ATOM 964 NH2 ARG A 123 -4.762 -9.619 3.230 1.00 21.24 N ATOM 965 HE ARG A 123 -6.188 -7.674 3.840 1.00 0.00 H ATOM 966 HH12 ARG A 123 -2.937 -8.854 1.690 1.00 0.00 H ATOM 967 HH11 ARG A 123 -3.405 -7.115 1.711 1.00 0.00 H ATOM 968 HH22 ARG A 123 -4.126 -10.375 2.905 1.00 0.00 H ATOM 969 HH21 ARG A 123 -5.536 -9.838 3.889 1.00 0.00 H ATOM 970 H ARG A 123 -6.273 -2.977 5.631 1.00 0.00 H ATOM 971 N SER A 124 -5.149 -0.516 3.882 1.00 12.45 N ATOM 972 CA SER A 124 -5.044 0.812 3.281 1.00 11.71 C ATOM 973 C SER A 124 -3.989 1.749 3.899 1.00 12.29 C ATOM 974 O SER A 124 -3.569 2.719 3.258 1.00 10.10 O ATOM 975 CB SER A 124 -6.417 1.499 3.310 1.00 11.29 C ATOM 976 OG SER A 124 -6.953 1.533 4.628 1.00 9.01 O ATOM 977 HG SER A 124 -7.836 1.981 4.613 1.00 0.00 H ATOM 978 H SER A 124 -5.364 -0.614 4.895 1.00 0.00 H ATOM 979 N ASP A 125 -3.566 1.481 5.134 1.00 12.34 N ATOM 980 CA ASP A 125 -2.553 2.337 5.762 1.00 13.42 C ATOM 981 C ASP A 125 -1.265 1.667 6.244 1.00 12.91 C ATOM 982 O ASP A 125 -0.219 2.291 6.176 1.00 14.33 O ATOM 983 CB ASP A 125 -3.117 3.123 6.971 1.00 14.05 C ATOM 984 CG ASP A 125 -4.240 4.079 6.602 1.00 13.94 C ATOM 985 OD1 ASP A 125 -4.167 4.721 5.537 1.00 15.33 O ATOM 986 OD2 ASP A 125 -5.188 4.213 7.407 1.00 15.59 O ATOM 987 H ASP A 125 -3.953 0.666 5.652 1.00 0.00 H ATOM 988 N LEU A 126 -1.336 0.430 6.741 1.00 12.27 N ATOM 989 CA LEU A 126 -0.153 -0.245 7.303 1.00 11.85 C ATOM 990 C LEU A 126 1.096 -0.292 6.444 1.00 11.93 C ATOM 991 O LEU A 126 2.162 0.121 6.894 1.00 11.12 O ATOM 992 CB LEU A 126 -0.477 -1.680 7.751 1.00 10.68 C ATOM 993 CG LEU A 126 0.554 -2.318 8.689 1.00 9.08 C ATOM 994 CD1 LEU A 126 0.566 -1.515 9.982 1.00 9.66 C ATOM 995 CD2 LEU A 126 0.217 -3.779 9.014 1.00 9.20 C ATOM 996 H LEU A 126 -2.248 -0.069 6.731 1.00 0.00 H ATOM 997 N ASP A 127 0.980 -0.797 5.221 1.00 11.23 N ATOM 998 CA ASP A 127 2.144 -0.882 4.349 1.00 12.28 C ATOM 999 C ASP A 127 2.726 0.496 4.101 1.00 13.42 C ATOM 1000 O ASP A 127 3.953 0.685 4.117 1.00 13.25 O ATOM 1001 CB ASP A 127 1.777 -1.534 3.007 1.00 11.04 C ATOM 1002 CG ASP A 127 1.269 -2.948 3.181 1.00 13.40 C ATOM 1003 OD1 ASP A 127 1.925 -3.696 3.947 1.00 13.30 O ATOM 1004 OD2 ASP A 127 0.231 -3.308 2.563 1.00 10.19 O ATOM 1005 H ASP A 127 0.055 -1.133 4.885 1.00 0.00 H ATOM 1006 N ARG A 128 1.816 1.435 3.858 1.00 13.31 N ATOM 1007 CA ARG A 128 2.094 2.847 3.587 1.00 14.20 C ATOM 1008 C ARG A 128 3.008 3.444 4.682 1.00 13.03 C ATOM 1009 O ARG A 128 4.070 4.009 4.417 1.00 13.59 O ATOM 1010 CB ARG A 128 0.718 3.572 3.530 1.00 15.78 C ATOM 1011 CG ARG A 128 0.701 5.040 3.191 1.00 16.71 C ATOM 1012 CD ARG A 128 -0.698 5.435 2.661 1.00 16.11 C ATOM 1013 NE ARG A 128 -1.721 5.684 3.680 1.00 15.09 N ATOM 1014 CZ ARG A 128 -1.711 6.746 4.482 1.00 16.31 C ATOM 1015 NH1 ARG A 128 -0.736 7.648 4.378 1.00 16.17 N ATOM 1016 NH2 ARG A 128 -2.669 6.921 5.374 1.00 14.60 N ATOM 1017 HE ARG A 128 -2.494 4.996 3.782 1.00 0.00 H ATOM 1018 HH12 ARG A 128 -0.727 8.478 5.004 1.00 0.00 H ATOM 1019 HH11 ARG A 128 0.016 7.522 3.671 1.00 0.00 H ATOM 1020 HH22 ARG A 128 -2.654 7.754 5.997 1.00 0.00 H ATOM 1021 HH21 ARG A 128 -3.439 6.226 5.454 1.00 0.00 H ATOM 1022 H ARG A 128 0.819 1.140 3.861 1.00 0.00 H ATOM 1023 N PHE A 129 2.583 3.286 5.922 1.00 12.49 N ATOM 1024 CA PHE A 129 3.319 3.808 7.056 1.00 12.84 C ATOM 1025 C PHE A 129 4.631 3.062 7.274 1.00 11.86 C ATOM 1026 O PHE A 129 5.638 3.676 7.646 1.00 13.08 O ATOM 1027 CB PHE A 129 2.420 3.734 8.296 1.00 12.78 C ATOM 1028 CG PHE A 129 1.291 4.746 8.289 1.00 15.16 C ATOM 1029 CD1 PHE A 129 0.219 4.626 9.166 1.00 15.00 C ATOM 1030 CD2 PHE A 129 1.344 5.866 7.460 1.00 15.08 C ATOM 1031 CE1 PHE A 129 -0.776 5.608 9.221 1.00 15.42 C ATOM 1032 CE2 PHE A 129 0.352 6.853 7.510 1.00 14.65 C ATOM 1033 CZ PHE A 129 -0.704 6.722 8.390 1.00 16.45 C ATOM 1034 H PHE A 129 1.695 2.772 6.090 1.00 0.00 H ATOM 1035 N TRP A 130 4.624 1.751 7.015 1.00 10.60 N ATOM 1036 CA TRP A 130 5.819 0.912 7.193 1.00 11.09 C ATOM 1037 C TRP A 130 6.919 1.323 6.223 1.00 11.28 C ATOM 1038 O TRP A 130 8.034 1.612 6.635 1.00 13.54 O ATOM 1039 CB TRP A 130 5.495 -0.576 6.983 1.00 10.14 C ATOM 1040 CG TRP A 130 6.688 -1.496 7.226 1.00 11.39 C ATOM 1041 CD1 TRP A 130 7.186 -2.462 6.372 1.00 11.17 C ATOM 1042 CD2 TRP A 130 7.504 -1.559 8.416 1.00 9.21 C ATOM 1043 NE1 TRP A 130 8.257 -3.120 6.968 1.00 10.72 N ATOM 1044 CE2 TRP A 130 8.469 -2.589 8.216 1.00 8.53 C ATOM 1045 CE3 TRP A 130 7.512 -0.852 9.630 1.00 8.19 C ATOM 1046 CZ2 TRP A 130 9.431 -2.924 9.195 1.00 10.65 C ATOM 1047 CZ3 TRP A 130 8.482 -1.195 10.615 1.00 7.50 C ATOM 1048 CH2 TRP A 130 9.418 -2.218 10.384 1.00 6.42 C ATOM 1049 HE1 TRP A 130 8.808 -3.890 6.538 1.00 0.00 H ATOM 1050 H TRP A 130 3.745 1.310 6.677 1.00 0.00 H ATOM 1051 N LEU A 131 6.608 1.358 4.934 1.00 11.01 N ATOM 1052 CA LEU A 131 7.606 1.762 3.948 1.00 10.64 C ATOM 1053 C LEU A 131 8.227 3.138 4.256 1.00 8.82 C ATOM 1054 O LEU A 131 9.433 3.327 4.144 1.00 7.94 O ATOM 1055 CB LEU A 131 6.981 1.785 2.548 1.00 9.41 C ATOM 1056 CG LEU A 131 7.895 2.221 1.389 1.00 9.91 C ATOM 1057 CD1 LEU A 131 9.165 1.349 1.367 1.00 3.19 C ATOM 1058 CD2 LEU A 131 7.121 2.119 0.055 1.00 7.22 C ATOM 1059 H LEU A 131 5.650 1.097 4.625 1.00 0.00 H ATOM 1060 N GLU A 132 7.389 4.096 4.624 1.00 7.93 N ATOM 1061 CA GLU A 132 7.853 5.445 4.938 1.00 7.26 C ATOM 1062 C GLU A 132 8.825 5.375 6.125 1.00 8.30 C ATOM 1063 O GLU A 132 9.854 6.045 6.167 1.00 7.01 O ATOM 1064 CB GLU A 132 6.653 6.317 5.299 1.00 8.14 C ATOM 1065 CG GLU A 132 6.861 7.774 5.004 1.00 14.11 C ATOM 1066 CD GLU A 132 7.126 7.995 3.517 1.00 15.32 C ATOM 1067 OE1 GLU A 132 6.301 7.568 2.691 1.00 15.31 O ATOM 1068 OE2 GLU A 132 8.163 8.589 3.174 1.00 19.74 O ATOM 1069 H GLU A 132 6.374 3.882 4.691 1.00 0.00 H ATOM 1070 N THR A 133 8.462 4.567 7.108 1.00 9.12 N ATOM 1071 CA THR A 133 9.298 4.369 8.278 1.00 9.75 C ATOM 1072 C THR A 133 10.643 3.812 7.810 1.00 10.26 C ATOM 1073 O THR A 133 11.693 4.333 8.170 1.00 7.97 O ATOM 1074 CB THR A 133 8.607 3.393 9.248 1.00 9.79 C ATOM 1075 OG1 THR A 133 7.383 3.986 9.700 1.00 8.87 O ATOM 1076 CG2 THR A 133 9.493 3.075 10.426 1.00 6.53 C ATOM 1077 HG1 THR A 133 6.796 4.161 8.923 1.00 0.00 H ATOM 1078 H THR A 133 7.556 4.061 7.041 1.00 0.00 H ATOM 1079 N LEU A 134 10.598 2.771 6.981 1.00 10.19 N ATOM 1080 CA LEU A 134 11.822 2.172 6.472 1.00 11.93 C ATOM 1081 C LEU A 134 12.681 3.192 5.719 1.00 12.57 C ATOM 1082 O LEU A 134 13.900 3.169 5.836 1.00 14.54 O ATOM 1083 CB LEU A 134 11.516 0.980 5.550 1.00 11.98 C ATOM 1084 CG LEU A 134 10.772 -0.233 6.142 1.00 13.74 C ATOM 1085 CD1 LEU A 134 10.576 -1.288 5.044 1.00 14.44 C ATOM 1086 CD2 LEU A 134 11.559 -0.840 7.301 1.00 14.07 C ATOM 1087 H LEU A 134 9.677 2.382 6.694 1.00 0.00 H ATOM 1088 N LEU A 135 12.059 4.090 4.958 1.00 11.73 N ATOM 1089 CA LEU A 135 12.826 5.078 4.210 1.00 10.50 C ATOM 1090 C LEU A 135 13.514 6.099 5.128 1.00 10.94 C ATOM 1091 O LEU A 135 14.628 6.560 4.832 1.00 10.26 O ATOM 1092 CB LEU A 135 11.924 5.779 3.164 1.00 10.02 C ATOM 1093 CG LEU A 135 11.322 4.824 2.112 1.00 10.50 C ATOM 1094 CD1 LEU A 135 10.486 5.565 1.089 1.00 7.22 C ATOM 1095 CD2 LEU A 135 12.444 4.083 1.407 1.00 10.16 C ATOM 1096 H LEU A 135 11.021 4.086 4.897 1.00 0.00 H ATOM 1097 N CYS A 136 12.865 6.455 6.239 1.00 11.13 N ATOM 1098 CA CYS A 136 13.473 7.402 7.180 1.00 11.69 C ATOM 1099 C CYS A 136 14.739 6.778 7.760 1.00 10.83 C ATOM 1100 O CYS A 136 15.753 7.458 7.931 1.00 9.80 O ATOM 1101 CB CYS A 136 12.509 7.764 8.326 1.00 11.56 C ATOM 1102 SG CYS A 136 11.097 8.806 7.835 1.00 15.44 S ATOM 1103 H CYS A 136 11.924 6.059 6.438 1.00 0.00 H ATOM 1104 N LEU A 137 14.678 5.477 8.045 1.00 10.56 N ATOM 1105 CA LEU A 137 15.827 4.781 8.608 1.00 10.05 C ATOM 1106 C LEU A 137 17.025 4.684 7.686 1.00 9.68 C ATOM 1107 O LEU A 137 18.076 5.249 7.982 1.00 11.45 O ATOM 1108 CB LEU A 137 15.461 3.368 9.060 1.00 10.82 C ATOM 1109 CG LEU A 137 14.312 3.156 10.045 1.00 12.35 C ATOM 1110 CD1 LEU A 137 14.433 1.740 10.628 1.00 8.88 C ATOM 1111 CD2 LEU A 137 14.334 4.211 11.148 1.00 10.18 C ATOM 1112 H LEU A 137 13.799 4.952 7.863 1.00 0.00 H ATOM 1113 N ILE A 138 16.872 3.993 6.557 1.00 9.12 N ATOM 1114 CA ILE A 138 18.001 3.810 5.652 1.00 9.04 C ATOM 1115 C ILE A 138 18.514 5.117 5.065 1.00 9.02 C ATOM 1116 O ILE A 138 19.680 5.224 4.692 1.00 9.67 O ATOM 1117 CB ILE A 138 17.663 2.807 4.505 1.00 9.46 C ATOM 1118 CG1 ILE A 138 16.610 3.379 3.553 1.00 9.43 C ATOM 1119 CG2 ILE A 138 17.107 1.528 5.096 1.00 9.04 C ATOM 1120 CD1 ILE A 138 17.164 4.266 2.459 1.00 20.33 C ATOM 1121 H ILE A 138 15.946 3.583 6.321 1.00 0.00 H ATOM 1122 N GLY A 139 17.638 6.112 5.015 1.00 9.98 N ATOM 1123 CA GLY A 139 17.988 7.408 4.466 1.00 9.45 C ATOM 1124 C GLY A 139 18.596 8.376 5.461 1.00 10.54 C ATOM 1125 O GLY A 139 18.911 9.501 5.076 1.00 12.52 O ATOM 1126 H GLY A 139 16.676 5.959 5.379 1.00 0.00 H ATOM 1127 N GLU A 140 18.751 7.960 6.722 1.00 9.89 N ATOM 1128 CA GLU A 140 19.348 8.805 7.764 1.00 9.20 C ATOM 1129 C GLU A 140 18.627 10.158 7.809 1.00 9.53 C ATOM 1130 O GLU A 140 19.263 11.208 7.775 1.00 10.33 O ATOM 1131 CB GLU A 140 20.845 9.027 7.460 1.00 9.39 C ATOM 1132 CG GLU A 140 21.705 7.751 7.333 1.00 11.27 C ATOM 1133 CD GLU A 140 21.798 6.924 8.625 1.00 12.01 C ATOM 1134 OE1 GLU A 140 22.116 7.503 9.681 1.00 12.44 O ATOM 1135 OE2 GLU A 140 21.576 5.693 8.585 1.00 12.99 O ATOM 1136 H GLU A 140 18.437 7.001 6.975 1.00 0.00 H ATOM 1137 N SER A 141 17.300 10.107 7.893 1.00 9.35 N ATOM 1138 CA SER A 141 16.428 11.281 7.866 1.00 8.96 C ATOM 1139 C SER A 141 16.382 12.201 9.085 1.00 11.04 C ATOM 1140 O SER A 141 15.721 13.236 9.037 1.00 9.43 O ATOM 1141 CB SER A 141 14.985 10.838 7.548 1.00 9.11 C ATOM 1142 OG SER A 141 14.917 10.044 6.369 1.00 8.43 O ATOM 1143 HG SER A 141 15.471 9.232 6.487 1.00 0.00 H ATOM 1144 H SER A 141 16.854 9.172 7.984 1.00 0.00 H ATOM 1145 N PHE A 142 17.058 11.843 10.174 1.00 13.32 N ATOM 1146 CA PHE A 142 17.034 12.689 11.363 1.00 14.77 C ATOM 1147 C PHE A 142 18.407 13.320 11.630 1.00 17.32 C ATOM 1148 O PHE A 142 18.814 13.487 12.780 1.00 19.09 O ATOM 1149 CB PHE A 142 16.567 11.873 12.580 1.00 13.81 C ATOM 1150 CG PHE A 142 15.450 10.905 12.273 1.00 12.46 C ATOM 1151 CD1 PHE A 142 15.721 9.563 12.040 1.00 13.11 C ATOM 1152 CD2 PHE A 142 14.137 11.339 12.182 1.00 11.79 C ATOM 1153 CE1 PHE A 142 14.700 8.669 11.726 1.00 13.71 C ATOM 1154 CE2 PHE A 142 13.107 10.449 11.867 1.00 12.58 C ATOM 1155 CZ PHE A 142 13.386 9.113 11.640 1.00 10.17 C ATOM 1156 H PHE A 142 17.605 10.958 10.178 1.00 0.00 H ATOM 1157 N ASP A 143 19.118 13.670 10.561 1.00 20.59 N ATOM 1158 CA ASP A 143 20.445 14.281 10.680 1.00 21.92 C ATOM 1159 C ASP A 143 21.328 13.417 11.583 1.00 23.16 C ATOM 1160 O ASP A 143 21.195 12.194 11.597 1.00 23.30 O ATOM 1161 CB ASP A 143 20.330 15.695 11.267 1.00 23.80 C ATOM 1162 CG ASP A 143 19.593 16.679 10.339 1.00 25.77 C ATOM 1163 OD1 ASP A 143 19.396 17.838 10.765 1.00 28.27 O ATOM 1164 OD2 ASP A 143 19.220 16.315 9.198 1.00 24.75 O ATOM 1165 H ASP A 143 18.721 13.505 9.614 1.00 0.00 H ATOM 1166 N ASP A 144 22.223 14.049 12.334 1.00 22.54 N ATOM 1167 CA ASP A 144 23.111 13.315 13.227 1.00 24.55 C ATOM 1168 C ASP A 144 22.322 12.475 14.238 1.00 23.85 C ATOM 1169 O ASP A 144 22.825 11.471 14.763 1.00 22.73 O ATOM 1170 CB ASP A 144 24.056 14.295 13.942 1.00 26.66 C ATOM 1171 CG ASP A 144 24.969 15.038 12.963 1.00 30.23 C ATOM 1172 OD1 ASP A 144 24.499 15.373 11.855 1.00 33.40 O ATOM 1173 OD2 ASP A 144 26.139 15.311 13.295 1.00 31.50 O ATOM 1174 H ASP A 144 22.291 15.086 12.284 1.00 0.00 H ATOM 1175 N TYR A 145 21.084 12.877 14.501 1.00 22.78 N ATOM 1176 CA TYR A 145 20.241 12.131 15.428 1.00 22.00 C ATOM 1177 C TYR A 145 19.872 10.727 14.911 1.00 21.22 C ATOM 1178 O TYR A 145 19.337 9.913 15.663 1.00 20.62 O ATOM 1179 CB TYR A 145 18.991 12.945 15.770 1.00 23.89 C ATOM 1180 CG TYR A 145 19.309 14.198 16.573 1.00 25.87 C ATOM 1181 CD1 TYR A 145 18.551 15.357 16.424 1.00 26.97 C ATOM 1182 CD2 TYR A 145 20.403 14.237 17.449 1.00 26.67 C ATOM 1183 CE1 TYR A 145 18.879 16.532 17.117 1.00 29.14 C ATOM 1184 CE2 TYR A 145 20.739 15.402 18.146 1.00 26.78 C ATOM 1185 CZ TYR A 145 19.980 16.544 17.971 1.00 28.34 C ATOM 1186 OH TYR A 145 20.336 17.710 18.611 1.00 29.61 O ATOM 1187 HH TYR A 145 19.691 18.423 18.378 1.00 0.00 H ATOM 1188 H TYR A 145 20.712 13.732 14.041 1.00 0.00 H ATOM 1189 N SER A 146 20.158 10.434 13.645 1.00 18.46 N ATOM 1190 CA SER A 146 19.877 9.093 13.142 1.00 18.57 C ATOM 1191 C SER A 146 20.792 8.076 13.855 1.00 19.26 C ATOM 1192 O SER A 146 20.511 6.877 13.859 1.00 19.54 O ATOM 1193 CB SER A 146 20.093 9.000 11.627 1.00 16.34 C ATOM 1194 OG SER A 146 19.075 9.670 10.915 1.00 14.09 O ATOM 1195 HG SER A 146 18.199 9.263 11.132 1.00 0.00 H ATOM 1196 H SER A 146 20.577 11.153 13.021 1.00 0.00 H ATOM 1197 N ASP A 147 21.883 8.545 14.455 1.00 18.46 N ATOM 1198 CA ASP A 147 22.754 7.615 15.155 1.00 19.67 C ATOM 1199 C ASP A 147 22.021 6.968 16.331 1.00 19.63 C ATOM 1200 O ASP A 147 22.317 5.832 16.695 1.00 20.52 O ATOM 1201 CB ASP A 147 24.034 8.291 15.663 1.00 20.89 C ATOM 1202 CG ASP A 147 25.003 8.633 14.543 1.00 22.84 C ATOM 1203 OD1 ASP A 147 25.043 7.895 13.527 1.00 21.22 O ATOM 1204 OD2 ASP A 147 25.750 9.624 14.695 1.00 25.56 O ATOM 1205 H ASP A 147 22.109 9.560 14.424 1.00 0.00 H ATOM 1206 N ASP A 148 21.063 7.688 16.906 1.00 18.02 N ATOM 1207 CA ASP A 148 20.289 7.186 18.032 1.00 18.46 C ATOM 1208 C ASP A 148 19.277 6.132 17.621 1.00 18.19 C ATOM 1209 O ASP A 148 18.853 5.316 18.443 1.00 18.62 O ATOM 1210 CB ASP A 148 19.570 8.339 18.747 1.00 20.37 C ATOM 1211 CG ASP A 148 20.414 8.968 19.844 1.00 18.27 C ATOM 1212 OD1 ASP A 148 21.564 9.357 19.581 1.00 21.93 O ATOM 1213 OD2 ASP A 148 19.917 9.076 20.977 1.00 20.57 O ATOM 1214 H ASP A 148 20.860 8.640 16.540 1.00 0.00 H ATOM 1215 N VAL A 149 18.878 6.162 16.351 1.00 16.67 N ATOM 1216 CA VAL A 149 17.929 5.183 15.836 1.00 15.05 C ATOM 1217 C VAL A 149 18.591 3.799 15.895 1.00 16.05 C ATOM 1218 O VAL A 149 19.771 3.665 15.588 1.00 16.17 O ATOM 1219 CB VAL A 149 17.529 5.525 14.372 1.00 14.19 C ATOM 1220 CG1 VAL A 149 16.777 4.360 13.722 1.00 9.68 C ATOM 1221 CG2 VAL A 149 16.651 6.782 14.361 1.00 12.11 C ATOM 1222 H VAL A 149 19.250 6.897 15.716 1.00 0.00 H ATOM 1223 N CYS A 150 17.831 2.789 16.318 1.00 14.53 N ATOM 1224 CA CYS A 150 18.333 1.426 16.406 1.00 14.15 C ATOM 1225 C CYS A 150 17.644 0.596 15.333 1.00 14.83 C ATOM 1226 O CYS A 150 18.283 -0.207 14.660 1.00 17.51 O ATOM 1227 CB CYS A 150 18.056 0.826 17.797 1.00 15.01 C ATOM 1228 SG CYS A 150 18.935 1.639 19.191 1.00 15.05 S ATOM 1229 H CYS A 150 16.847 2.981 16.594 1.00 0.00 H ATOM 1230 N GLY A 151 16.340 0.802 15.177 1.00 13.31 N ATOM 1231 CA GLY A 151 15.575 0.080 14.180 1.00 12.03 C ATOM 1232 C GLY A 151 14.089 0.380 14.296 1.00 11.87 C ATOM 1233 O GLY A 151 13.681 1.286 15.034 1.00 11.44 O ATOM 1234 H GLY A 151 15.858 1.496 15.783 1.00 0.00 H ATOM 1235 N ALA A 152 13.277 -0.383 13.573 1.00 11.57 N ATOM 1236 CA ALA A 152 11.825 -0.199 13.596 1.00 11.42 C ATOM 1237 C ALA A 152 11.137 -1.547 13.581 1.00 10.12 C ATOM 1238 O ALA A 152 11.684 -2.537 13.071 1.00 9.02 O ATOM 1239 CB ALA A 152 11.367 0.642 12.395 1.00 13.06 C ATOM 1240 H ALA A 152 13.683 -1.131 12.975 1.00 0.00 H ATOM 1241 N VAL A 153 9.929 -1.565 14.130 1.00 9.61 N ATOM 1242 CA VAL A 153 9.124 -2.771 14.257 1.00 8.95 C ATOM 1243 C VAL A 153 7.662 -2.528 13.892 1.00 10.26 C ATOM 1244 O VAL A 153 7.091 -1.505 14.262 1.00 10.85 O ATOM 1245 CB VAL A 153 9.116 -3.297 15.751 1.00 9.50 C ATOM 1246 CG1 VAL A 153 8.401 -4.642 15.827 1.00 6.03 C ATOM 1247 CG2 VAL A 153 10.522 -3.389 16.298 1.00 7.95 C ATOM 1248 H VAL A 153 9.537 -0.671 14.488 1.00 0.00 H ATOM 1249 N VAL A 154 7.063 -3.472 13.164 1.00 10.50 N ATOM 1250 CA VAL A 154 5.646 -3.400 12.832 1.00 10.14 C ATOM 1251 C VAL A 154 5.032 -4.685 13.408 1.00 11.83 C ATOM 1252 O VAL A 154 5.558 -5.784 13.204 1.00 12.55 O ATOM 1253 CB VAL A 154 5.361 -3.312 11.293 1.00 9.42 C ATOM 1254 CG1 VAL A 154 6.111 -4.411 10.516 1.00 8.08 C ATOM 1255 CG2 VAL A 154 3.847 -3.472 11.052 1.00 7.56 C ATOM 1256 H VAL A 154 7.622 -4.281 12.825 1.00 0.00 H ATOM 1257 N ASN A 155 3.945 -4.539 14.154 1.00 11.45 N ATOM 1258 CA ASN A 155 3.270 -5.680 14.763 1.00 12.35 C ATOM 1259 C ASN A 155 1.859 -5.826 14.234 1.00 12.39 C ATOM 1260 O ASN A 155 1.080 -4.875 14.276 1.00 14.27 O ATOM 1261 CB ASN A 155 3.138 -5.519 16.294 1.00 12.59 C ATOM 1262 CG ASN A 155 4.444 -5.195 16.983 1.00 13.05 C ATOM 1263 OD1 ASN A 155 4.600 -4.105 17.536 1.00 14.57 O ATOM 1264 ND2 ASN A 155 5.387 -6.134 16.963 1.00 10.48 N ATOM 1265 HD22 ASN A 155 5.209 -7.039 16.483 1.00 0.00 H ATOM 1266 HD21 ASN A 155 6.302 -5.962 17.427 1.00 0.00 H ATOM 1267 H ASN A 155 3.563 -3.584 14.309 1.00 0.00 H ATOM 1268 N VAL A 156 1.521 -7.012 13.750 1.00 12.81 N ATOM 1269 CA VAL A 156 0.158 -7.269 13.300 1.00 13.46 C ATOM 1270 C VAL A 156 -0.501 -8.138 14.367 1.00 15.72 C ATOM 1271 O VAL A 156 -0.027 -9.244 14.675 1.00 15.45 O ATOM 1272 CB VAL A 156 0.118 -7.990 11.944 1.00 12.33 C ATOM 1273 CG1 VAL A 156 -1.334 -8.356 11.585 1.00 11.87 C ATOM 1274 CG2 VAL A 156 0.716 -7.071 10.879 1.00 12.51 C ATOM 1275 H VAL A 156 2.234 -7.767 13.690 1.00 0.00 H ATOM 1276 N ARG A 157 -1.586 -7.619 14.938 1.00 15.57 N ATOM 1277 CA ARG A 157 -2.313 -8.305 15.989 1.00 18.53 C ATOM 1278 C ARG A 157 -3.815 -8.228 15.715 1.00 19.83 C ATOM 1279 O ARG A 157 -4.311 -7.232 15.184 1.00 19.74 O ATOM 1280 CB ARG A 157 -2.000 -7.659 17.348 1.00 18.01 C ATOM 1281 CG ARG A 157 -0.533 -7.708 17.779 1.00 19.02 C ATOM 1282 CD ARG A 157 -0.073 -9.145 17.974 1.00 18.80 C ATOM 1283 NE ARG A 157 1.303 -9.254 18.465 1.00 17.17 N ATOM 1284 CZ ARG A 157 2.400 -9.144 17.721 1.00 18.28 C ATOM 1285 NH1 ARG A 157 2.318 -8.922 16.414 1.00 17.03 N ATOM 1286 NH2 ARG A 157 3.592 -9.244 18.298 1.00 16.50 N ATOM 1287 HE ARG A 157 1.433 -9.432 19.481 1.00 0.00 H ATOM 1288 HH12 ARG A 157 3.185 -8.838 15.845 1.00 0.00 H ATOM 1289 HH11 ARG A 157 1.387 -8.832 15.959 1.00 0.00 H ATOM 1290 HH22 ARG A 157 4.456 -9.159 17.725 1.00 0.00 H ATOM 1291 HH21 ARG A 157 3.662 -9.407 19.323 1.00 0.00 H ATOM 1292 H ARG A 157 -1.924 -6.689 14.619 1.00 0.00 H ATOM 1293 N ALA A 158 -4.538 -9.280 16.077 1.00 20.65 N ATOM 1294 CA ALA A 158 -5.981 -9.298 15.864 1.00 22.66 C ATOM 1295 C ALA A 158 -6.652 -8.088 16.519 1.00 23.66 C ATOM 1296 O ALA A 158 -7.697 -7.631 16.064 1.00 25.83 O ATOM 1297 CB ALA A 158 -6.581 -10.597 16.419 1.00 20.76 C ATOM 1298 H ALA A 158 -4.072 -10.099 16.517 1.00 0.00 H ATOM 1299 N LYS A 159 -6.043 -7.559 17.573 1.00 24.01 N ATOM 1300 CA LYS A 159 -6.607 -6.411 18.288 1.00 25.94 C ATOM 1301 C LYS A 159 -6.236 -5.041 17.718 1.00 26.51 C ATOM 1302 O LYS A 159 -6.823 -4.027 18.094 1.00 26.19 O ATOM 1303 CB LYS A 159 -6.176 -6.457 19.755 1.00 26.29 C ATOM 1304 CG LYS A 159 -4.666 -6.450 19.942 1.00 27.27 C ATOM 1305 CD LYS A 159 -4.286 -6.379 21.410 1.00 28.47 C ATOM 1306 CE LYS A 159 -2.759 -6.385 21.596 1.00 28.93 C ATOM 1307 NZ LYS A 159 -2.150 -7.674 21.186 1.00 26.89 N ATOM 1308 HZ1 LYS A 159 -2.549 -8.443 21.761 1.00 0.00 H ATOM 1309 HZ2 LYS A 159 -2.354 -7.849 20.181 1.00 0.00 H ATOM 1310 HZ3 LYS A 159 -1.121 -7.631 21.329 1.00 0.00 H ATOM 1311 H LYS A 159 -5.144 -7.969 17.899 1.00 0.00 H ATOM 1312 N GLY A 160 -5.259 -5.011 16.818 1.00 26.63 N ATOM 1313 CA GLY A 160 -4.820 -3.748 16.245 1.00 25.82 C ATOM 1314 C GLY A 160 -3.363 -3.904 15.871 1.00 24.85 C ATOM 1315 O GLY A 160 -2.721 -4.832 16.349 1.00 25.13 O ATOM 1316 H GLY A 160 -4.804 -5.898 16.521 1.00 0.00 H ATOM 1317 N ASP A 161 -2.837 -3.022 15.026 1.00 22.43 N ATOM 1318 CA ASP A 161 -1.450 -3.136 14.609 1.00 20.11 C ATOM 1319 C ASP A 161 -0.597 -2.012 15.160 1.00 19.52 C ATOM 1320 O ASP A 161 -1.107 -0.970 15.562 1.00 18.86 O ATOM 1321 CB ASP A 161 -1.344 -3.145 13.082 1.00 19.45 C ATOM 1322 CG ASP A 161 -2.164 -4.247 12.444 1.00 19.21 C ATOM 1323 OD1 ASP A 161 -2.187 -5.377 12.985 1.00 19.60 O ATOM 1324 OD2 ASP A 161 -2.772 -3.993 11.382 1.00 19.96 O ATOM 1325 H ASP A 161 -3.423 -2.244 14.661 1.00 0.00 H ATOM 1326 N LYS A 162 0.711 -2.221 15.166 1.00 18.35 N ATOM 1327 CA LYS A 162 1.619 -1.211 15.682 1.00 16.97 C ATOM 1328 C LYS A 162 2.879 -1.046 14.851 1.00 16.39 C ATOM 1329 O LYS A 162 3.382 -2.004 14.259 1.00 14.81 O ATOM 1330 CB LYS A 162 2.013 -1.539 17.125 1.00 17.67 C ATOM 1331 CG LYS A 162 0.933 -1.288 18.163 1.00 19.89 C ATOM 1332 CD LYS A 162 1.359 -1.783 19.559 1.00 21.52 C ATOM 1333 CE LYS A 162 1.525 -3.300 19.567 1.00 23.17 C ATOM 1334 NZ LYS A 162 1.821 -3.865 20.918 1.00 22.72 N ATOM 1335 HZ1 LYS A 162 2.706 -3.454 21.278 1.00 0.00 H ATOM 1336 HZ2 LYS A 162 1.042 -3.635 21.567 1.00 0.00 H ATOM 1337 HZ3 LYS A 162 1.921 -4.898 20.846 1.00 0.00 H ATOM 1338 H LYS A 162 1.091 -3.116 14.798 1.00 0.00 H ATOM 1339 N ILE A 163 3.365 0.193 14.800 1.00 15.04 N ATOM 1340 CA ILE A 163 4.592 0.524 14.093 1.00 15.51 C ATOM 1341 C ILE A 163 5.347 1.480 14.995 1.00 14.61 C ATOM 1342 O ILE A 163 4.782 2.462 15.482 1.00 14.39 O ATOM 1343 CB ILE A 163 4.322 1.225 12.730 1.00 15.81 C ATOM 1344 CG1 ILE A 163 3.646 0.249 11.758 1.00 14.29 C ATOM 1345 CG2 ILE A 163 5.623 1.767 12.164 1.00 15.55 C ATOM 1346 CD1 ILE A 163 3.033 0.897 10.519 1.00 20.33 C ATOM 1347 H ILE A 163 2.847 0.953 15.285 1.00 0.00 H ATOM 1348 N ALA A 164 6.620 1.196 15.224 1.00 13.76 N ATOM 1349 CA ALA A 164 7.427 2.053 16.081 1.00 13.23 C ATOM 1350 C ALA A 164 8.890 2.139 15.669 1.00 13.48 C ATOM 1351 O ALA A 164 9.426 1.248 15.001 1.00 11.99 O ATOM 1352 CB ALA A 164 7.334 1.574 17.515 1.00 11.65 C ATOM 1353 H ALA A 164 7.047 0.354 14.788 1.00 0.00 H ATOM 1354 N ILE A 165 9.522 3.242 16.063 1.00 14.36 N ATOM 1355 CA ILE A 165 10.935 3.448 15.814 1.00 14.09 C ATOM 1356 C ILE A 165 11.633 3.431 17.178 1.00 15.67 C ATOM 1357 O ILE A 165 11.310 4.218 18.084 1.00 15.38 O ATOM 1358 CB ILE A 165 11.230 4.791 15.103 1.00 13.87 C ATOM 1359 CG1 ILE A 165 10.694 4.756 13.669 1.00 13.84 C ATOM 1360 CG2 ILE A 165 12.733 5.072 15.136 1.00 11.96 C ATOM 1361 CD1 ILE A 165 10.676 6.106 12.956 1.00 20.33 C ATOM 1362 H ILE A 165 8.986 3.978 16.565 1.00 0.00 H ATOM 1363 N TRP A 166 12.590 2.527 17.304 1.00 14.97 N ATOM 1364 CA TRP A 166 13.365 2.348 18.521 1.00 15.67 C ATOM 1365 C TRP A 166 14.616 3.233 18.539 1.00 16.31 C ATOM 1366 O TRP A 166 15.376 3.238 17.573 1.00 18.77 O ATOM 1367 CB TRP A 166 13.787 0.878 18.621 1.00 13.73 C ATOM 1368 CG TRP A 166 12.683 -0.077 18.954 1.00 12.25 C ATOM 1369 CD1 TRP A 166 11.388 -0.002 18.555 1.00 12.20 C ATOM 1370 CD2 TRP A 166 12.805 -1.309 19.685 1.00 13.78 C ATOM 1371 NE1 TRP A 166 10.688 -1.102 18.984 1.00 11.92 N ATOM 1372 CE2 TRP A 166 11.535 -1.924 19.680 1.00 13.10 C ATOM 1373 CE3 TRP A 166 13.869 -1.953 20.343 1.00 13.07 C ATOM 1374 CZ2 TRP A 166 11.292 -3.160 20.309 1.00 13.65 C ATOM 1375 CZ3 TRP A 166 13.631 -3.186 20.966 1.00 11.74 C ATOM 1376 CH2 TRP A 166 12.349 -3.775 20.942 1.00 12.20 C ATOM 1377 HE1 TRP A 166 9.679 -1.282 18.809 1.00 0.00 H ATOM 1378 H TRP A 166 12.799 1.913 16.491 1.00 0.00 H ATOM 1379 N THR A 167 14.822 3.979 19.627 1.00 16.46 N ATOM 1380 CA THR A 167 16.003 4.826 19.775 1.00 16.73 C ATOM 1381 C THR A 167 16.796 4.273 20.970 1.00 18.42 C ATOM 1382 O THR A 167 16.226 3.643 21.877 1.00 18.52 O ATOM 1383 CB THR A 167 15.656 6.326 19.993 1.00 15.96 C ATOM 1384 OG1 THR A 167 14.990 6.507 21.246 1.00 18.61 O ATOM 1385 CG2 THR A 167 14.764 6.827 18.881 1.00 14.16 C ATOM 1386 HG1 THR A 167 14.153 5.978 21.253 1.00 0.00 H ATOM 1387 H THR A 167 14.119 3.956 20.393 1.00 0.00 H ATOM 1388 N THR A 168 18.104 4.509 20.964 1.00 18.91 N ATOM 1389 CA THR A 168 18.990 3.963 21.980 1.00 20.81 C ATOM 1390 C THR A 168 18.907 4.483 23.424 1.00 22.15 C ATOM 1391 O THR A 168 19.098 3.708 24.362 1.00 22.13 O ATOM 1392 CB THR A 168 20.466 4.033 21.477 1.00 21.19 C ATOM 1393 OG1 THR A 168 21.270 3.137 22.250 1.00 22.61 O ATOM 1394 CG2 THR A 168 21.029 5.449 21.596 1.00 18.98 C ATOM 1395 HG1 THR A 168 20.927 2.214 22.146 1.00 0.00 H ATOM 1396 H THR A 168 18.506 5.102 20.210 1.00 0.00 H ATOM 1397 N GLU A 169 18.603 5.769 23.603 1.00 24.31 N ATOM 1398 CA GLU A 169 18.516 6.388 24.936 1.00 25.24 C ATOM 1399 C GLU A 169 17.242 7.197 25.126 1.00 26.52 C ATOM 1400 O GLU A 169 17.071 8.231 24.474 1.00 26.42 O ATOM 1401 CB GLU A 169 19.684 7.354 25.166 1.00 26.09 C ATOM 1402 CG GLU A 169 21.022 6.751 25.514 1.00 28.88 C ATOM 1403 CD GLU A 169 20.989 5.981 26.821 1.00 30.24 C ATOM 1404 OE1 GLU A 169 20.337 6.467 27.778 1.00 30.99 O ATOM 1405 OE2 GLU A 169 21.633 4.908 26.892 1.00 28.58 O ATOM 1406 H GLU A 169 18.420 6.359 22.766 1.00 0.00 H ATOM 1407 N CYS A 170 16.354 6.768 26.022 1.00 28.26 N ATOM 1408 CA CYS A 170 15.144 7.549 26.236 1.00 30.88 C ATOM 1409 C CYS A 170 15.511 8.792 27.055 1.00 30.57 C ATOM 1410 O CYS A 170 14.655 9.623 27.360 1.00 30.62 O ATOM 1411 CB CYS A 170 14.041 6.718 26.931 1.00 31.81 C ATOM 1412 SG CYS A 170 14.363 6.128 28.607 1.00 38.47 S ATOM 1413 H CYS A 170 16.522 5.893 26.558 1.00 0.00 H ATOM 1414 N GLU A 171 16.804 8.924 27.361 1.00 30.79 N ATOM 1415 CA GLU A 171 17.335 10.047 28.134 1.00 30.64 C ATOM 1416 C GLU A 171 17.845 11.165 27.215 1.00 29.72 C ATOM 1417 O GLU A 171 18.093 12.282 27.667 1.00 29.27 O ATOM 1418 CB GLU A 171 18.493 9.567 29.020 1.00 34.10 C ATOM 1419 CG GLU A 171 18.631 10.265 30.367 1.00 36.36 C ATOM 1420 CD GLU A 171 17.567 9.825 31.361 1.00 38.80 C ATOM 1421 OE1 GLU A 171 16.365 10.059 31.108 1.00 40.39 O ATOM 1422 OE2 GLU A 171 17.932 9.233 32.398 1.00 40.39 O ATOM 1423 H GLU A 171 17.467 8.192 27.034 1.00 0.00 H ATOM 1424 N ASN A 172 18.031 10.859 25.934 1.00 29.20 N ATOM 1425 CA ASN A 172 18.491 11.856 24.967 1.00 27.87 C ATOM 1426 C ASN A 172 17.281 12.681 24.491 1.00 27.14 C ATOM 1427 O ASN A 172 16.726 12.410 23.428 1.00 26.10 O ATOM 1428 CB ASN A 172 19.153 11.184 23.750 1.00 29.22 C ATOM 1429 CG ASN A 172 20.494 10.520 24.078 1.00 31.92 C ATOM 1430 OD1 ASN A 172 21.305 11.056 24.841 1.00 33.07 O ATOM 1431 ND2 ASN A 172 20.749 9.366 23.462 1.00 32.44 N ATOM 1432 HD22 ASN A 172 20.039 8.948 22.827 1.00 0.00 H ATOM 1433 HD21 ASN A 172 21.658 8.884 23.616 1.00 0.00 H ATOM 1434 H ASN A 172 17.845 9.888 25.612 1.00 0.00 H ATOM 1435 N ARG A 173 16.893 13.692 25.268 1.00 26.82 N ATOM 1436 CA ARG A 173 15.728 14.518 24.945 1.00 27.52 C ATOM 1437 C ARG A 173 15.754 15.165 23.565 1.00 27.12 C ATOM 1438 O ARG A 173 14.800 15.041 22.805 1.00 27.62 O ATOM 1439 CB ARG A 173 15.517 15.619 25.997 1.00 29.48 C ATOM 1440 CG ARG A 173 14.216 16.387 25.753 1.00 33.23 C ATOM 1441 CD ARG A 173 14.056 17.667 26.565 1.00 34.75 C ATOM 1442 NE ARG A 173 12.873 18.418 26.116 1.00 37.91 N ATOM 1443 CZ ARG A 173 11.612 18.016 26.285 1.00 38.53 C ATOM 1444 NH1 ARG A 173 11.354 16.869 26.898 1.00 39.36 N ATOM 1445 NH2 ARG A 173 10.602 18.754 25.829 1.00 38.38 N ATOM 1446 HE ARG A 173 13.031 19.326 25.633 1.00 0.00 H ATOM 1447 HH12 ARG A 173 10.370 16.559 27.028 1.00 0.00 H ATOM 1448 HH11 ARG A 173 12.136 16.280 27.249 1.00 0.00 H ATOM 1449 HH22 ARG A 173 9.622 18.434 25.964 1.00 0.00 H ATOM 1450 HH21 ARG A 173 10.793 19.650 25.337 1.00 0.00 H ATOM 1451 H ARG A 173 17.435 13.901 26.131 1.00 0.00 H ATOM 1452 N ASP A 174 16.836 15.865 23.248 1.00 26.55 N ATOM 1453 CA ASP A 174 16.976 16.533 21.957 1.00 26.63 C ATOM 1454 C ASP A 174 16.900 15.578 20.753 1.00 25.95 C ATOM 1455 O ASP A 174 16.286 15.900 19.730 1.00 24.97 O ATOM 1456 CB ASP A 174 18.297 17.317 21.935 1.00 29.66 C ATOM 1457 CG ASP A 174 18.218 18.637 22.715 1.00 31.46 C ATOM 1458 OD1 ASP A 174 17.342 18.771 23.599 1.00 32.70 O ATOM 1459 OD2 ASP A 174 19.051 19.534 22.454 1.00 32.01 O ATOM 1460 H ASP A 174 17.608 15.940 23.941 1.00 0.00 H ATOM 1461 N ALA A 175 17.526 14.411 20.867 1.00 22.97 N ATOM 1462 CA ALA A 175 17.506 13.445 19.775 1.00 21.08 C ATOM 1463 C ALA A 175 16.123 12.800 19.644 1.00 19.61 C ATOM 1464 O ALA A 175 15.560 12.747 18.555 1.00 19.75 O ATOM 1465 CB ALA A 175 18.575 12.371 20.001 1.00 20.49 C ATOM 1466 H ALA A 175 18.036 14.184 21.745 1.00 0.00 H ATOM 1467 N VAL A 176 15.581 12.313 20.754 1.00 18.55 N ATOM 1468 CA VAL A 176 14.265 11.686 20.754 1.00 18.05 C ATOM 1469 C VAL A 176 13.217 12.655 20.202 1.00 19.56 C ATOM 1470 O VAL A 176 12.389 12.290 19.357 1.00 20.41 O ATOM 1471 CB VAL A 176 13.860 11.252 22.186 1.00 17.38 C ATOM 1472 CG1 VAL A 176 12.405 10.806 22.214 1.00 14.60 C ATOM 1473 CG2 VAL A 176 14.760 10.123 22.656 1.00 15.76 C ATOM 1474 H VAL A 176 16.109 12.381 21.647 1.00 0.00 H ATOM 1475 N THR A 177 13.256 13.889 20.693 1.00 19.26 N ATOM 1476 CA THR A 177 12.331 14.928 20.261 1.00 19.83 C ATOM 1477 C THR A 177 12.408 15.159 18.738 1.00 19.39 C ATOM 1478 O THR A 177 11.396 15.096 18.041 1.00 19.01 O ATOM 1479 CB THR A 177 12.622 16.252 21.049 1.00 21.06 C ATOM 1480 OG1 THR A 177 12.060 16.146 22.366 1.00 24.80 O ATOM 1481 CG2 THR A 177 12.045 17.460 20.354 1.00 24.25 C ATOM 1482 HG1 THR A 177 12.471 15.379 22.838 1.00 0.00 H ATOM 1483 H THR A 177 13.972 14.121 21.411 1.00 0.00 H ATOM 1484 N HIS A 178 13.611 15.411 18.231 1.00 18.08 N ATOM 1485 CA HIS A 178 13.813 15.665 16.815 1.00 16.96 C ATOM 1486 C HIS A 178 13.322 14.491 15.978 1.00 15.58 C ATOM 1487 O HIS A 178 12.557 14.666 15.024 1.00 16.28 O ATOM 1488 CB HIS A 178 15.293 15.966 16.563 1.00 16.22 C ATOM 1489 CG HIS A 178 15.617 16.276 15.134 1.00 17.84 C ATOM 1490 ND1 HIS A 178 16.120 15.332 14.261 1.00 17.53 N ATOM 1491 CD2 HIS A 178 15.511 17.424 14.426 1.00 16.21 C ATOM 1492 CE1 HIS A 178 16.314 15.889 13.079 1.00 15.53 C ATOM 1493 NE2 HIS A 178 15.951 17.156 13.153 1.00 17.18 N ATOM 1494 H HIS A 178 14.433 15.427 18.868 1.00 0.00 H ATOM 1495 N ILE A 179 13.749 13.292 16.355 1.00 14.30 N ATOM 1496 CA ILE A 179 13.342 12.082 15.660 1.00 12.01 C ATOM 1497 C ILE A 179 11.815 12.042 15.525 1.00 12.07 C ATOM 1498 O ILE A 179 11.287 11.849 14.424 1.00 11.95 O ATOM 1499 CB ILE A 179 13.866 10.823 16.414 1.00 10.09 C ATOM 1500 CG1 ILE A 179 15.386 10.719 16.234 1.00 10.60 C ATOM 1501 CG2 ILE A 179 13.183 9.557 15.912 1.00 9.89 C ATOM 1502 CD1 ILE A 179 15.963 9.793 15.196 1.00 20.33 C ATOM 1503 H ILE A 179 14.392 13.216 17.169 1.00 0.00 H ATOM 1504 N GLY A 180 11.115 12.261 16.631 1.00 11.10 N ATOM 1505 CA GLY A 180 9.658 12.227 16.623 1.00 13.94 C ATOM 1506 C GLY A 180 8.945 13.254 15.746 1.00 16.12 C ATOM 1507 O GLY A 180 7.910 12.956 15.129 1.00 12.55 O ATOM 1508 H GLY A 180 11.616 12.461 17.520 1.00 0.00 H ATOM 1509 N ARG A 181 9.496 14.468 15.705 1.00 18.43 N ATOM 1510 CA ARG A 181 8.923 15.557 14.919 1.00 20.39 C ATOM 1511 C ARG A 181 8.985 15.170 13.450 1.00 18.73 C ATOM 1512 O ARG A 181 7.973 15.145 12.770 1.00 20.75 O ATOM 1513 CB ARG A 181 9.719 16.864 15.122 1.00 24.33 C ATOM 1514 CG ARG A 181 10.187 17.135 16.564 1.00 30.72 C ATOM 1515 CD ARG A 181 10.985 18.447 16.694 1.00 34.82 C ATOM 1516 NE ARG A 181 10.111 19.607 16.860 1.00 39.47 N ATOM 1517 CZ ARG A 181 9.561 19.970 18.021 1.00 43.08 C ATOM 1518 NH1 ARG A 181 9.800 19.264 19.129 1.00 42.94 N ATOM 1519 NH2 ARG A 181 8.751 21.028 18.077 1.00 41.88 N ATOM 1520 HE ARG A 181 9.905 20.186 16.021 1.00 0.00 H ATOM 1521 HH12 ARG A 181 9.369 19.551 20.031 1.00 0.00 H ATOM 1522 HH11 ARG A 181 10.417 18.428 19.090 1.00 0.00 H ATOM 1523 HH22 ARG A 181 8.324 21.309 18.983 1.00 0.00 H ATOM 1524 HH21 ARG A 181 8.546 21.573 17.215 1.00 0.00 H ATOM 1525 H ARG A 181 10.363 14.645 16.251 1.00 0.00 H ATOM 1526 N VAL A 182 10.186 14.860 12.971 1.00 18.41 N ATOM 1527 CA VAL A 182 10.388 14.496 11.576 1.00 17.82 C ATOM 1528 C VAL A 182 9.539 13.278 11.183 1.00 17.71 C ATOM 1529 O VAL A 182 8.875 13.270 10.148 1.00 19.51 O ATOM 1530 CB VAL A 182 11.879 14.178 11.287 1.00 17.89 C ATOM 1531 CG1 VAL A 182 12.063 13.893 9.824 1.00 15.16 C ATOM 1532 CG2 VAL A 182 12.775 15.357 11.709 1.00 18.74 C ATOM 1533 H VAL A 182 11.005 14.878 13.612 1.00 0.00 H ATOM 1534 N TYR A 183 9.558 12.261 12.022 1.00 16.54 N ATOM 1535 CA TYR A 183 8.826 11.047 11.760 1.00 16.15 C ATOM 1536 C TYR A 183 7.333 11.305 11.576 1.00 16.15 C ATOM 1537 O TYR A 183 6.735 10.810 10.625 1.00 14.09 O ATOM 1538 CB TYR A 183 9.090 10.049 12.897 1.00 15.72 C ATOM 1539 CG TYR A 183 8.427 8.690 12.734 1.00 15.81 C ATOM 1540 CD1 TYR A 183 8.408 8.032 11.498 1.00 12.65 C ATOM 1541 CD2 TYR A 183 7.900 8.028 13.835 1.00 12.62 C ATOM 1542 CE1 TYR A 183 7.881 6.741 11.375 1.00 12.91 C ATOM 1543 CE2 TYR A 183 7.381 6.753 13.722 1.00 12.76 C ATOM 1544 CZ TYR A 183 7.376 6.111 12.496 1.00 12.19 C ATOM 1545 OH TYR A 183 6.891 4.828 12.427 1.00 13.17 O ATOM 1546 HH TYR A 183 6.951 4.503 11.494 1.00 0.00 H ATOM 1547 H TYR A 183 10.116 12.337 12.896 1.00 0.00 H ATOM 1548 N LYS A 184 6.732 12.080 12.473 1.00 18.21 N ATOM 1549 CA LYS A 184 5.307 12.372 12.363 1.00 20.86 C ATOM 1550 C LYS A 184 5.053 13.165 11.087 1.00 20.99 C ATOM 1551 O LYS A 184 4.029 12.981 10.436 1.00 20.82 O ATOM 1552 CB LYS A 184 4.814 13.161 13.575 1.00 22.24 C ATOM 1553 CG LYS A 184 3.326 13.461 13.551 1.00 25.11 C ATOM 1554 CD LYS A 184 2.885 14.198 14.814 1.00 28.82 C ATOM 1555 CE LYS A 184 1.392 14.547 14.793 1.00 29.71 C ATOM 1556 NZ LYS A 184 0.523 13.352 14.741 1.00 31.69 N ATOM 1557 HZ1 LYS A 184 0.734 12.808 13.880 1.00 0.00 H ATOM 1558 HZ2 LYS A 184 0.699 12.760 15.578 1.00 0.00 H ATOM 1559 HZ3 LYS A 184 -0.473 13.650 14.729 1.00 0.00 H ATOM 1560 H LYS A 184 7.282 12.481 13.259 1.00 0.00 H ATOM 1561 N GLU A 185 5.991 14.037 10.727 1.00 22.49 N ATOM 1562 CA GLU A 185 5.853 14.824 9.510 1.00 22.47 C ATOM 1563 C GLU A 185 5.942 13.899 8.302 1.00 20.59 C ATOM 1564 O GLU A 185 5.158 14.023 7.363 1.00 19.80 O ATOM 1565 CB GLU A 185 6.951 15.878 9.421 1.00 25.87 C ATOM 1566 CG GLU A 185 6.942 16.892 10.540 1.00 32.32 C ATOM 1567 CD GLU A 185 5.647 17.685 10.616 1.00 35.51 C ATOM 1568 OE1 GLU A 185 5.255 18.292 9.592 1.00 36.71 O ATOM 1569 OE2 GLU A 185 5.027 17.709 11.705 1.00 37.09 O ATOM 1570 H GLU A 185 6.835 14.158 11.323 1.00 0.00 H ATOM 1571 N ARG A 186 6.902 12.973 8.331 1.00 19.33 N ATOM 1572 CA ARG A 186 7.083 12.019 7.235 1.00 19.46 C ATOM 1573 C ARG A 186 5.895 11.067 7.038 1.00 19.89 C ATOM 1574 O ARG A 186 5.621 10.604 5.923 1.00 20.28 O ATOM 1575 CB ARG A 186 8.342 11.192 7.465 1.00 20.32 C ATOM 1576 CG ARG A 186 9.624 11.862 7.016 1.00 20.74 C ATOM 1577 CD ARG A 186 9.582 12.145 5.525 1.00 18.97 C ATOM 1578 NE ARG A 186 10.886 11.894 4.937 1.00 20.57 N ATOM 1579 CZ ARG A 186 11.338 10.701 4.584 1.00 19.77 C ATOM 1580 NH1 ARG A 186 10.599 9.614 4.739 1.00 24.68 N ATOM 1581 NH2 ARG A 186 12.561 10.586 4.129 1.00 21.60 N ATOM 1582 HE ARG A 186 11.510 12.711 4.782 1.00 0.00 H ATOM 1583 HH12 ARG A 186 10.973 8.686 4.455 1.00 0.00 H ATOM 1584 HH11 ARG A 186 9.644 9.688 5.145 1.00 0.00 H ATOM 1585 HH22 ARG A 186 12.926 9.653 3.849 1.00 0.00 H ATOM 1586 HH21 ARG A 186 13.167 11.427 4.048 1.00 0.00 H ATOM 1587 H ARG A 186 7.538 12.928 9.153 1.00 0.00 H ATOM 1588 N LEU A 187 5.194 10.763 8.122 1.00 18.50 N ATOM 1589 CA LEU A 187 4.054 9.872 8.024 1.00 19.79 C ATOM 1590 C LEU A 187 2.865 10.601 7.444 1.00 19.56 C ATOM 1591 O LEU A 187 2.010 9.987 6.838 1.00 19.42 O ATOM 1592 CB LEU A 187 3.674 9.317 9.401 1.00 19.75 C ATOM 1593 CG LEU A 187 4.668 8.387 10.093 1.00 20.03 C ATOM 1594 CD1 LEU A 187 4.168 8.065 11.481 1.00 20.34 C ATOM 1595 CD2 LEU A 187 4.857 7.115 9.270 1.00 19.66 C ATOM 1596 H LEU A 187 5.462 11.164 9.043 1.00 0.00 H ATOM 1597 N GLY A 188 2.816 11.914 7.641 1.00 20.52 N ATOM 1598 CA GLY A 188 1.694 12.683 7.141 1.00 22.39 C ATOM 1599 C GLY A 188 0.481 12.675 8.064 1.00 23.85 C ATOM 1600 O GLY A 188 -0.608 13.078 7.663 1.00 24.03 O ATOM 1601 H GLY A 188 3.584 12.391 8.155 1.00 0.00 H ATOM 1602 N LEU A 189 0.670 12.220 9.302 1.00 25.92 N ATOM 1603 CA LEU A 189 -0.406 12.169 10.291 1.00 26.82 C ATOM 1604 C LEU A 189 -0.980 13.546 10.623 1.00 28.99 C ATOM 1605 O LEU A 189 -0.241 14.503 10.827 1.00 29.37 O ATOM 1606 CB LEU A 189 0.098 11.506 11.573 1.00 25.76 C ATOM 1607 CG LEU A 189 0.392 10.017 11.431 1.00 25.06 C ATOM 1608 CD1 LEU A 189 1.187 9.513 12.622 1.00 24.40 C ATOM 1609 CD2 LEU A 189 -0.924 9.275 11.271 1.00 23.74 C ATOM 1610 H LEU A 189 1.617 11.889 9.575 1.00 0.00 H ATOM 1611 N PRO A 190 -2.315 13.650 10.700 1.00 31.32 N ATOM 1612 CA PRO A 190 -3.021 14.894 11.005 1.00 34.29 C ATOM 1613 C PRO A 190 -2.390 15.730 12.109 1.00 36.42 C ATOM 1614 O PRO A 190 -1.676 15.211 12.964 1.00 37.11 O ATOM 1615 CB PRO A 190 -4.422 14.393 11.343 1.00 34.76 C ATOM 1616 CG PRO A 190 -4.589 13.336 10.277 1.00 34.26 C ATOM 1617 CD PRO A 190 -3.288 12.558 10.524 1.00 32.23 C ATOM 1618 N PRO A 191 -2.695 17.036 12.128 1.00 39.07 N ATOM 1619 CA PRO A 191 -2.172 17.993 13.103 1.00 39.49 C ATOM 1620 C PRO A 191 -2.045 17.397 14.489 1.00 40.63 C ATOM 1621 O PRO A 191 -1.040 17.608 15.173 1.00 42.83 O ATOM 1622 CB PRO A 191 -3.184 19.146 13.021 1.00 40.73 C ATOM 1623 CG PRO A 191 -4.435 18.486 12.367 1.00 39.61 C ATOM 1624 CD PRO A 191 -3.713 17.699 11.303 1.00 40.06 C ATOM 1625 N LYS A 192 -3.049 16.639 14.905 1.00 41.03 N ATOM 1626 CA LYS A 192 -2.983 16.021 16.211 1.00 41.41 C ATOM 1627 C LYS A 192 -3.598 14.652 16.394 1.00 41.62 C ATOM 1628 O LYS A 192 -4.748 14.518 16.827 1.00 41.60 O ATOM 1629 CB LYS A 192 -3.527 16.965 17.285 1.00 43.15 C ATOM 1630 CG LYS A 192 -2.531 18.038 17.694 1.00 43.88 C ATOM 1631 CD LYS A 192 -1.272 17.390 18.250 1.00 44.30 C ATOM 1632 CE LYS A 192 -0.243 18.415 18.651 1.00 44.42 C ATOM 1633 NZ LYS A 192 0.938 17.728 19.234 1.00 44.96 N ATOM 1634 HZ1 LYS A 192 0.644 17.185 20.071 1.00 0.00 H ATOM 1635 HZ2 LYS A 192 1.346 17.084 18.527 1.00 0.00 H ATOM 1636 HZ3 LYS A 192 1.648 18.436 19.511 1.00 0.00 H ATOM 1637 H LYS A 192 -3.879 16.489 14.296 1.00 0.00 H ATOM 1638 N ILE A 193 -2.810 13.640 16.041 1.00 41.41 N ATOM 1639 CA ILE A 193 -3.181 12.244 16.238 1.00 40.08 C ATOM 1640 C ILE A 193 -2.498 11.970 17.585 1.00 38.59 C ATOM 1641 O ILE A 193 -2.923 11.116 18.360 1.00 39.77 O ATOM 1642 CB ILE A 193 -2.560 11.304 15.163 1.00 40.01 C ATOM 1643 CG1 ILE A 193 -3.277 11.474 13.824 1.00 40.60 C ATOM 1644 CG2 ILE A 193 -2.653 9.849 15.622 1.00 40.07 C ATOM 1645 CD1 ILE A 193 -4.803 11.180 13.784 1.00 20.33 C ATOM 1646 H ILE A 193 -1.890 13.854 15.606 1.00 0.00 H ATOM 1647 N VAL A 194 -1.448 12.745 17.853 1.00 36.00 N ATOM 1648 CA VAL A 194 -0.675 12.628 19.082 1.00 32.63 C ATOM 1649 C VAL A 194 -0.067 11.246 19.233 1.00 29.51 C ATOM 1650 O VAL A 194 -0.745 10.286 19.586 1.00 27.73 O ATOM 1651 CB VAL A 194 -1.531 12.927 20.334 1.00 33.29 C ATOM 1652 CG1 VAL A 194 -0.739 12.602 21.597 1.00 32.49 C ATOM 1653 CG2 VAL A 194 -1.941 14.393 20.344 1.00 32.97 C ATOM 1654 H VAL A 194 -1.168 13.464 17.155 1.00 0.00 H ATOM 1655 N ILE A 195 1.224 11.156 18.958 1.00 27.64 N ATOM 1656 CA ILE A 195 1.921 9.894 19.093 1.00 24.90 C ATOM 1657 C ILE A 195 2.866 10.035 20.275 1.00 23.76 C ATOM 1658 O ILE A 195 3.467 11.098 20.486 1.00 21.70 O ATOM 1659 CB ILE A 195 2.701 9.537 17.815 1.00 24.69 C ATOM 1660 CG1 ILE A 195 3.870 10.487 17.610 1.00 23.27 C ATOM 1661 CG2 ILE A 195 1.766 9.623 16.612 1.00 25.31 C ATOM 1662 CD1 ILE A 195 4.924 10.007 16.613 1.00 20.33 C ATOM 1663 H ILE A 195 1.743 12.000 18.642 1.00 0.00 H ATOM 1664 N GLY A 196 2.972 8.962 21.054 1.00 22.87 N ATOM 1665 CA GLY A 196 3.823 8.976 22.228 1.00 20.76 C ATOM 1666 C GLY A 196 5.078 8.136 22.143 1.00 19.51 C ATOM 1667 O GLY A 196 5.193 7.242 21.311 1.00 18.28 O ATOM 1668 H GLY A 196 2.437 8.102 20.818 1.00 0.00 H ATOM 1669 N TYR A 197 6.020 8.450 23.027 1.00 19.67 N ATOM 1670 CA TYR A 197 7.301 7.759 23.133 1.00 19.84 C ATOM 1671 C TYR A 197 7.383 7.141 24.532 1.00 20.48 C ATOM 1672 O TYR A 197 7.275 7.868 25.508 1.00 20.86 O ATOM 1673 CB TYR A 197 8.444 8.770 22.982 1.00 18.95 C ATOM 1674 CG TYR A 197 9.846 8.184 23.099 1.00 16.79 C ATOM 1675 CD1 TYR A 197 10.546 7.762 21.970 1.00 16.33 C ATOM 1676 CD2 TYR A 197 10.445 8.009 24.341 1.00 15.73 C ATOM 1677 CE1 TYR A 197 11.802 7.182 22.078 1.00 16.69 C ATOM 1678 CE2 TYR A 197 11.699 7.428 24.460 1.00 16.20 C ATOM 1679 CZ TYR A 197 12.373 7.016 23.329 1.00 15.71 C ATOM 1680 OH TYR A 197 13.618 6.442 23.445 1.00 16.72 O ATOM 1681 HH TYR A 197 13.957 6.207 22.545 1.00 0.00 H ATOM 1682 H TYR A 197 5.833 9.235 23.682 1.00 0.00 H ATOM 1683 N GLN A 198 7.550 5.822 24.638 1.00 21.76 N ATOM 1684 CA GLN A 198 7.692 5.185 25.957 1.00 23.00 C ATOM 1685 C GLN A 198 9.027 4.433 26.001 1.00 22.58 C ATOM 1686 O GLN A 198 9.496 3.911 24.979 1.00 20.92 O ATOM 1687 CB GLN A 198 6.596 4.147 26.262 1.00 24.94 C ATOM 1688 CG GLN A 198 5.285 4.230 25.500 1.00 28.80 C ATOM 1689 CD GLN A 198 5.366 3.537 24.155 1.00 29.11 C ATOM 1690 OE1 GLN A 198 6.083 3.986 23.263 1.00 31.35 O ATOM 1691 NE2 GLN A 198 4.648 2.424 24.011 1.00 28.03 N ATOM 1692 HE22 GLN A 198 4.055 2.082 24.794 1.00 0.00 H ATOM 1693 HE21 GLN A 198 4.680 1.897 23.115 1.00 0.00 H ATOM 1694 H GLN A 198 7.580 5.237 23.779 1.00 0.00 H ATOM 1695 N SER A 199 9.631 4.366 27.183 1.00 22.17 N ATOM 1696 CA SER A 199 10.897 3.654 27.337 1.00 22.04 C ATOM 1697 C SER A 199 10.585 2.166 27.298 1.00 21.58 C ATOM 1698 O SER A 199 9.493 1.756 27.705 1.00 22.17 O ATOM 1699 CB SER A 199 11.555 3.996 28.676 1.00 21.69 C ATOM 1700 OG SER A 199 10.821 3.463 29.765 1.00 20.03 O ATOM 1701 HG SER A 199 9.905 3.839 29.760 1.00 0.00 H ATOM 1702 H SER A 199 9.197 4.826 28.008 1.00 0.00 H ATOM 1703 N HIS A 200 11.519 1.359 26.800 1.00 21.22 N ATOM 1704 CA HIS A 200 11.295 -0.090 26.744 1.00 22.68 C ATOM 1705 C HIS A 200 11.090 -0.683 28.129 1.00 22.35 C ATOM 1706 O HIS A 200 10.395 -1.689 28.286 1.00 21.54 O ATOM 1707 CB HIS A 200 12.465 -0.803 26.050 1.00 21.64 C ATOM 1708 CG HIS A 200 12.630 -0.414 24.618 1.00 23.12 C ATOM 1709 ND1 HIS A 200 11.596 -0.483 23.709 1.00 22.09 N ATOM 1710 CD2 HIS A 200 13.704 0.048 23.934 1.00 22.59 C ATOM 1711 CE1 HIS A 200 12.025 -0.079 22.528 1.00 23.36 C ATOM 1712 NE2 HIS A 200 13.301 0.248 22.636 1.00 22.85 N ATOM 1713 H HIS A 200 12.413 1.758 26.448 1.00 0.00 H ATOM 1714 N ALA A 201 11.700 -0.050 29.127 1.00 23.75 N ATOM 1715 CA ALA A 201 11.586 -0.497 30.510 1.00 25.84 C ATOM 1716 C ALA A 201 10.127 -0.460 30.969 1.00 26.96 C ATOM 1717 O ALA A 201 9.614 -1.441 31.516 1.00 26.81 O ATOM 1718 CB ALA A 201 12.452 0.375 31.413 1.00 27.02 C ATOM 1719 H ALA A 201 12.276 0.789 28.914 1.00 0.00 H ATOM 1720 N ASP A 202 9.453 0.667 30.744 1.00 28.88 N ATOM 1721 CA ASP A 202 8.053 0.778 31.127 1.00 29.44 C ATOM 1722 C ASP A 202 7.267 -0.304 30.428 1.00 31.32 C ATOM 1723 O ASP A 202 6.643 -1.133 31.078 1.00 33.63 O ATOM 1724 CB ASP A 202 7.474 2.130 30.734 1.00 30.33 C ATOM 1725 CG ASP A 202 8.114 3.266 31.475 1.00 31.32 C ATOM 1726 OD1 ASP A 202 8.328 3.109 32.691 1.00 30.87 O ATOM 1727 OD2 ASP A 202 8.382 4.318 30.854 1.00 32.89 O ATOM 1728 H ASP A 202 9.930 1.473 30.292 1.00 0.00 H ATOM 1729 N THR A 203 7.302 -0.295 29.097 1.00 32.70 N ATOM 1730 CA THR A 203 6.590 -1.286 28.297 1.00 33.36 C ATOM 1731 C THR A 203 6.836 -2.695 28.837 1.00 35.23 C ATOM 1732 O THR A 203 5.947 -3.544 28.795 1.00 36.23 O ATOM 1733 CB THR A 203 7.052 -1.271 26.823 1.00 32.60 C ATOM 1734 OG1 THR A 203 6.960 0.056 26.295 1.00 31.65 O ATOM 1735 CG2 THR A 203 6.178 -2.191 25.997 1.00 30.94 C ATOM 1736 HG1 THR A 203 7.538 0.661 26.824 1.00 0.00 H ATOM 1737 H THR A 203 7.854 0.441 28.613 1.00 0.00 H ATOM 1738 N ALA A 204 8.047 -2.941 29.334 1.00 36.05 N ATOM 1739 CA ALA A 204 8.402 -4.251 29.877 1.00 37.75 C ATOM 1740 C ALA A 204 7.757 -4.529 31.243 1.00 38.72 C ATOM 1741 O ALA A 204 7.626 -5.684 31.647 1.00 38.57 O ATOM 1742 CB ALA A 204 9.920 -4.385 29.973 1.00 37.52 C ATOM 1743 H ALA A 204 8.758 -2.182 29.336 1.00 0.00 H ATOM 1744 N THR A 205 7.370 -3.479 31.963 1.00 39.59 N ATOM 1745 CA THR A 205 6.715 -3.678 33.253 1.00 40.64 C ATOM 1746 C THR A 205 5.369 -2.963 33.267 1.00 41.25 C ATOM 1747 O THR A 205 5.160 -2.032 34.078 1.00 20.33 O ATOM 1748 CB THR A 205 7.581 -3.161 34.439 1.00 40.97 C ATOM 1749 OG1 THR A 205 7.848 -1.758 34.284 1.00 41.15 O ATOM 1750 CG2 THR A 205 8.896 -3.928 34.508 1.00 41.15 C ATOM 1751 HG1 THR A 205 6.992 -1.260 34.266 1.00 0.00 H ATOM 1752 H THR A 205 7.534 -2.516 31.607 1.00 0.00 H TER 1753 THR A 205 ATOM 1754 N ASN A 213 3.703 8.217 28.548 1.00 28.97 N ATOM 1755 CA ASN A 213 4.656 8.745 27.529 1.00 29.23 C ATOM 1756 C ASN A 213 5.652 9.743 28.098 1.00 29.01 C ATOM 1757 O ASN A 213 5.291 10.652 28.843 1.00 30.35 O ATOM 1758 CB ASN A 213 3.913 9.418 26.363 1.00 30.15 C ATOM 1759 CG ASN A 213 2.960 8.473 25.641 1.00 31.11 C ATOM 1760 OD1 ASN A 213 3.305 7.329 25.335 1.00 29.79 O ATOM 1761 ND2 ASN A 213 1.760 8.962 25.343 1.00 30.92 N ATOM 1762 HD22 ASN A 213 1.511 9.933 25.620 1.00 0.00 H ATOM 1763 HD21 ASN A 213 1.071 8.374 24.833 1.00 0.00 H ATOM 1764 HN3 ASN A 213 3.160 9.005 28.955 1.00 0.00 H ATOM 1765 HN2 ASN A 213 4.234 7.736 29.301 1.00 0.00 H ATOM 1766 HN1 ASN A 213 3.052 7.543 28.096 1.00 0.00 H ATOM 1767 N ARG A 214 6.910 9.571 27.720 1.00 29.01 N ATOM 1768 CA ARG A 214 7.986 10.443 28.152 1.00 28.40 C ATOM 1769 C ARG A 214 7.998 11.658 27.226 1.00 27.54 C ATOM 1770 O ARG A 214 8.573 12.700 27.558 1.00 27.20 O ATOM 1771 CB ARG A 214 9.317 9.688 28.075 1.00 31.20 C ATOM 1772 CG ARG A 214 9.311 8.346 28.820 1.00 33.69 C ATOM 1773 CD ARG A 214 8.807 8.539 30.248 1.00 35.98 C ATOM 1774 NE ARG A 214 8.974 7.377 31.122 1.00 37.84 N ATOM 1775 CZ ARG A 214 10.148 6.839 31.456 1.00 38.29 C ATOM 1776 NH1 ARG A 214 11.287 7.346 30.988 1.00 37.79 N ATOM 1777 NH2 ARG A 214 10.186 5.808 32.294 1.00 38.72 N ATOM 1778 HE ARG A 214 8.115 6.939 31.511 1.00 0.00 H ATOM 1779 HH12 ARG A 214 12.196 6.917 31.256 1.00 0.00 H ATOM 1780 HH11 ARG A 214 11.268 8.171 30.355 1.00 0.00 H ATOM 1781 HH22 ARG A 214 11.099 5.385 32.557 1.00 0.00 H ATOM 1782 HH21 ARG A 214 9.303 5.424 32.686 1.00 0.00 H ATOM 1783 H ARG A 214 7.136 8.777 27.087 1.00 0.00 H ATOM 1784 N PHE A 215 7.380 11.499 26.053 1.00 25.69 N ATOM 1785 CA PHE A 215 7.250 12.575 25.071 1.00 24.66 C ATOM 1786 C PHE A 215 6.031 12.328 24.163 1.00 24.51 C ATOM 1787 O PHE A 215 5.543 11.203 24.046 1.00 24.35 O ATOM 1788 CB PHE A 215 8.490 12.699 24.158 1.00 24.63 C ATOM 1789 CG PHE A 215 9.815 12.727 24.883 1.00 22.51 C ATOM 1790 CD1 PHE A 215 10.543 11.554 25.069 1.00 22.97 C ATOM 1791 CD2 PHE A 215 10.348 13.926 25.350 1.00 22.54 C ATOM 1792 CE1 PHE A 215 11.793 11.574 25.703 1.00 23.08 C ATOM 1793 CE2 PHE A 215 11.593 13.963 25.987 1.00 22.12 C ATOM 1794 CZ PHE A 215 12.322 12.782 26.163 1.00 22.91 C ATOM 1795 H PHE A 215 6.973 10.569 25.828 1.00 0.00 H ATOM 1796 N VAL A 216 5.538 13.394 23.538 1.00 25.14 N ATOM 1797 CA VAL A 216 4.426 13.316 22.591 1.00 25.50 C ATOM 1798 C VAL A 216 4.696 14.310 21.467 1.00 25.74 C ATOM 1799 O VAL A 216 5.533 15.205 21.611 1.00 24.67 O ATOM 1800 CB VAL A 216 3.042 13.646 23.231 1.00 25.65 C ATOM 1801 CG1 VAL A 216 2.663 12.577 24.226 1.00 24.82 C ATOM 1802 CG2 VAL A 216 3.067 15.018 23.891 1.00 24.67 C ATOM 1803 H VAL A 216 5.962 14.324 23.731 1.00 0.00 H ATOM 1804 N VAL A 217 3.990 14.144 20.349 1.00 26.68 N ATOM 1805 CA VAL A 217 4.139 15.020 19.184 1.00 27.43 C ATOM 1806 C VAL A 217 2.820 15.114 18.429 1.00 27.94 C ATOM 1807 O VAL A 217 1.937 14.274 18.702 1.00 20.33 O ATOM 1808 CB VAL A 217 5.186 14.506 18.167 1.00 28.71 C ATOM 1809 CG1 VAL A 217 5.402 15.569 17.093 1.00 30.04 C ATOM 1810 CG2 VAL A 217 6.495 14.173 18.849 1.00 29.24 C ATOM 1811 OXT VAL A 217 2.671 16.015 17.576 1.00 20.33 O ATOM 1812 H VAL A 217 3.306 13.362 20.302 1.00 0.00 H TER 1813 VAL A 217 HETATM 1814 O HOH 1 5.769 -1.534 16.727 1.00 13.83 O HETATM 1815 O HOH 2 21.330 3.960 6.411 1.00 8.72 O HETATM 1816 O HOH 3 6.938 -6.064 0.787 1.00 9.42 O HETATM 1817 O HOH 4 15.664 0.746 21.524 1.00 19.63 O HETATM 1818 O HOH 5 -1.556 -1.610 3.865 1.00 11.00 O HETATM 1819 O HOH 6 11.119 -6.990 17.713 1.00 14.20 O HETATM 1820 O HOH 7 20.365 1.557 25.432 1.00 17.57 O HETATM 1821 O HOH 8 12.795 -7.939 -6.008 1.00 14.40 O HETATM 1822 O HOH 9 9.931 -9.262 16.788 1.00 12.73 O HETATM 1823 O HOH 10 -0.696 1.247 3.368 1.00 13.43 O HETATM 1824 O HOH 11 7.259 -6.130 3.551 1.00 8.87 O HETATM 1825 O HOH 12 7.686 -12.856 2.569 1.00 14.33 O HETATM 1826 O HOH 13 9.294 -5.311 5.616 1.00 11.46 O HETATM 1827 O HOH 14 14.182 9.016 3.287 1.00 25.44 O HETATM 1828 O HOH 15 28.493 -2.944 5.095 1.00 18.02 O HETATM 1829 O HOH 16 19.974 -6.278 13.495 1.00 13.08 O HETATM 1830 O HOH 17 23.975 -4.289 19.566 1.00 21.89 O HETATM 1831 O HOH 18 7.291 -3.515 22.987 1.00 48.97 O HETATM 1832 O HOH 19 23.064 6.389 11.904 1.00 15.16 O HETATM 1833 O HOH 20 -3.040 -10.277 7.322 1.00 22.35 O HETATM 1834 O HOH 21 26.391 -5.153 0.009 1.00 20.72 O HETATM 1835 O HOH 22 12.748 14.198 5.859 1.00 18.83 O HETATM 1836 O HOH 23 2.538 -19.337 15.550 1.00 23.83 O HETATM 1837 O HOH 24 17.829 -7.439 -1.621 1.00 3.52 O HETATM 1838 O HOH 25 -5.729 -9.179 7.890 1.00 23.34 O HETATM 1839 O HOH 26 6.069 -4.386 23.496 1.00 24.80 O HETATM 1840 O HOH 27 14.415 1.411 28.692 1.00 18.90 O HETATM 1841 O HOH 28 8.952 -0.879 23.884 1.00 14.51 O HETATM 1842 O HOH 29 7.618 -4.223 19.699 1.00 16.03 O HETATM 1843 O HOH 30 23.847 7.415 19.545 1.00 24.06 O HETATM 1844 O HOH 31 7.079 -6.778 -6.191 1.00 28.65 O HETATM 1845 O HOH 32 24.167 14.923 9.325 1.00 24.81 O HETATM 1846 O HOH 33 19.333 5.541 11.102 1.00 22.06 O HETATM 1847 O HOH 34 19.538 13.766 23.067 1.00 42.13 O HETATM 1848 O HOH 35 10.783 -8.963 14.076 1.00 15.73 O HETATM 1849 O HOH 36 -3.701 5.878 11.641 1.00 26.38 O HETATM 1850 O HOH 37 5.016 -3.953 4.316 1.00 21.12 O HETATM 1851 O HOH 38 27.786 0.044 5.505 1.00 48.96 O HETATM 1852 O HOH 39 22.906 17.187 14.231 1.00 33.21 O HETATM 1853 O HOH 40 7.018 -12.821 -1.706 1.00 18.41 O HETATM 1854 O HOH 41 -3.511 -1.595 10.446 1.00 20.25 O HETATM 1855 O HOH 42 29.751 9.409 8.640 1.00 21.47 O HETATM 1856 O HOH 43 29.423 6.231 5.949 1.00 18.42 O HETATM 1857 O HOH 44 21.939 -8.309 0.066 1.00 31.08 O HETATM 1858 O HOH 45 -5.903 6.850 5.555 1.00 40.48 O HETATM 1859 O HOH 46 28.993 -5.502 2.024 1.00 27.03 O HETATM 1860 O HOH 47 2.250 -9.366 0.490 1.00 23.42 O HETATM 1861 O HOH 48 -6.639 -9.549 12.379 1.00 33.65 O HETATM 1862 O HOH 49 -3.135 -11.427 17.637 1.00 29.17 O HETATM 1863 O HOH 50 16.716 -2.894 -6.841 1.00 25.41 O HETATM 1864 O HOH 51 2.122 14.882 10.184 1.00 31.30 O HETATM 1865 O HOH 52 26.152 -0.375 10.370 1.00 32.41 O HETATM 1866 O HOH 53 7.893 -1.244 -5.312 1.00 18.97 O HETATM 1867 O HOH 54 21.610 3.452 17.599 1.00 18.24 O HETATM 1868 O HOH 55 -0.620 6.297 15.713 1.00 36.11 O HETATM 1869 O HOH 56 -10.866 -1.525 12.771 1.00 27.69 O HETATM 1870 O HOH 57 17.363 7.320 10.570 1.00 22.68 O HETATM 1871 O HOH 58 -9.437 4.642 16.653 1.00 38.13 O HETATM 1872 O HOH 59 17.650 8.144 21.747 1.00 26.43 O HETATM 1873 O HOH 60 23.318 12.456 17.789 1.00 30.81 O HETATM 1874 O HOH 61 10.532 18.337 11.986 1.00 40.17 O HETATM 1875 O HOH 62 26.181 9.858 17.570 1.00 43.02 O HETATM 1876 O HOH 63 23.848 -5.094 0.228 1.00 33.43 O HETATM 1877 O HOH 64 12.292 14.165 29.718 1.00 37.94 O HETATM 1878 O HOH 65 24.383 4.088 14.844 1.00 35.30 O HETATM 1879 O HOH 66 16.083 15.613 9.979 1.00 31.88 O HETATM 1880 O HOH 67 30.949 4.038 -0.239 1.00 20.01 O HETATM 1881 O HOH 68 18.430 -15.758 12.397 1.00 39.25 O HETATM 1882 O HOH 69 21.066 12.884 27.763 1.00 47.96 O HETATM 1883 O HOH 70 7.123 -7.760 19.783 1.00 42.75 O HETATM 1884 O HOH 71 7.559 -2.298 19.064 1.00 17.50 O HETATM 1885 O HOH 72 6.049 16.628 13.637 1.00 21.36 O HETATM 1886 O HOH 73 24.719 12.687 2.201 1.00 15.42 O HETATM 1887 O HOH 74 22.124 6.457 3.974 1.00 22.13 O HETATM 1888 O HOH 75 24.191 10.990 -0.026 1.00 20.63 O HETATM 1889 O HOH 76 12.450 13.631 1.960 1.00 25.25 O HETATM 1890 O HOH 77 26.224 9.222 -1.191 1.00 22.04 O HETATM 1891 O HOH 78 8.947 11.358 -2.531 1.00 22.47 O HETATM 1892 O HOH 79 15.255 -2.390 -11.150 1.00 31.06 O HETATM 1893 O HOH 80 14.007 -1.658 -7.372 1.00 17.99 O HETATM 1894 O HOH 81 19.042 3.300 -9.601 1.00 28.24 O HETATM 1895 O HOH 82 9.698 14.275 -0.849 1.00 25.74 O HETATM 1896 O HOH 83 14.737 12.319 -7.320 1.00 31.51 O HETATM 1897 O HOH 84 25.327 7.713 -3.272 1.00 17.95 O HETATM 1898 O HOH 85 8.613 10.327 -5.140 1.00 31.38 O HETATM 1899 N ARG A 86 28.510 11.620 6.472 1.00 0.24 N HETATM 1900 CA ARG A 86 27.237 10.864 6.631 1.00 0.07 C HETATM 1901 C ARG A 86 26.493 10.795 5.301 1.00 0.23 C HETATM 1902 O ARG A 86 26.415 11.782 4.568 1.00 -0.39 O HETATM 1903 N ARG A 86 25.955 9.619 5.005 1.00 -0.26 N HETATM 1904 CA ARG A 86 25.219 9.388 3.766 1.00 0.13 C HETATM 1905 C ARG A 86 23.721 9.562 3.983 1.00 0.20 C HETATM 1906 O ARG A 86 23.064 8.736 4.628 1.00 -0.39 O HETATM 1907 N ARG A 86 23.191 10.638 3.419 1.00 -0.26 N HETATM 1908 CA ARG A 86 21.782 10.935 3.527 1.00 0.13 C HETATM 1909 C ARG A 86 21.122 10.818 2.162 1.00 0.20 C HETATM 1910 O ARG A 86 21.735 11.110 1.137 1.00 -0.39 O HETATM 1911 N ARG A 86 19.864 10.391 2.169 1.00 -0.26 N HETATM 1912 CA ARG A 86 19.086 10.253 0.952 1.00 0.14 C HETATM 1913 C ARG A 86 17.686 10.786 1.155 1.00 0.21 C HETATM 1914 O ARG A 86 17.044 10.560 2.191 1.00 -0.39 O HETATM 1915 N ARG A 86 17.247 11.483 0.118 1.00 -0.26 N HETATM 1916 CA ARG A 86 15.940 12.110 -0.011 1.00 0.14 C HETATM 1917 C ARG A 86 14.854 11.046 -0.197 1.00 0.21 C HETATM 1918 O ARG A 86 15.120 9.967 -0.719 1.00 -0.39 O HETATM 1919 N ARG A 86 13.631 11.391 0.185 1.00 -0.26 N HETATM 1920 CA ARG A 86 12.474 10.529 -0.008 1.00 0.13 C HETATM 1921 C ARG A 86 12.382 10.326 -1.524 1.00 0.20 C HETATM 1922 O ARG A 86 12.305 9.195 -2.014 1.00 -0.39 O HETATM 1923 N ARG A 86 12.421 11.434 -2.262 1.00 -0.26 N HETATM 1924 CA ARG A 86 12.334 11.411 -3.719 1.00 0.13 C HETATM 1925 C ARG A 86 13.456 10.622 -4.379 1.00 0.20 C HETATM 1926 O ARG A 86 13.192 9.799 -5.252 1.00 -0.39 O HETATM 1927 N ARG A 86 14.700 10.863 -3.972 1.00 -0.26 N HETATM 1928 CA ARG A 86 15.823 10.138 -4.554 1.00 0.14 C HETATM 1929 C ARG A 86 15.731 8.645 -4.249 1.00 0.21 C HETATM 1930 O ARG A 86 16.002 7.813 -5.114 1.00 -0.39 O HETATM 1931 N ARG A 86 15.368 8.299 -3.017 1.00 -0.26 N HETATM 1932 CA ARG A 86 15.232 6.891 -2.673 1.00 0.13 C HETATM 1933 C ARG A 86 14.207 6.224 -3.605 1.00 0.20 C HETATM 1934 O ARG A 86 14.401 5.100 -4.063 1.00 -0.39 O HETATM 1935 N ARG A 86 13.125 6.933 -3.894 1.00 -0.26 N HETATM 1936 CA ARG A 86 12.085 6.417 -4.777 1.00 0.13 C HETATM 1937 C ARG A 86 12.603 6.227 -6.205 1.00 0.20 C HETATM 1938 O ARG A 86 12.237 5.273 -6.900 1.00 -0.39 O HETATM 1939 N ARG A 86 13.470 7.141 -6.631 1.00 -0.26 N HETATM 1940 CA ARG A 86 14.058 7.072 -7.957 1.00 0.13 C HETATM 1941 C ARG A 86 14.974 5.873 -8.093 1.00 0.20 C HETATM 1942 O ARG A 86 15.110 5.321 -9.183 1.00 -0.39 O HETATM 1943 N ARG A 86 15.618 5.485 -6.995 1.00 -0.26 N HETATM 1944 CA ARG A 86 16.540 4.351 -7.028 1.00 0.14 C HETATM 1945 C ARG A 86 15.931 2.964 -7.259 1.00 0.20 C HETATM 1946 O ARG A 86 16.664 1.985 -7.426 1.00 -0.39 O HETATM 1947 N ARG A 86 14.606 2.857 -7.258 1.00 -0.26 N HETATM 1948 CA ARG A 86 14.011 1.551 -7.527 1.00 0.13 C HETATM 1949 C ARG A 86 14.110 1.255 -9.024 1.00 0.20 C HETATM 1950 O ARG A 86 13.776 0.170 -9.473 1.00 -0.39 O HETATM 1951 N ARG A 86 14.611 2.234 -9.776 1.00 -0.27 N HETATM 1952 CA ARG A 86 14.843 2.108 -11.215 1.00 0.11 C HETATM 1953 C ARG A 86 16.258 2.578 -11.562 1.00 0.06 C HETATM 1954 O ARG A 86 16.427 3.557 -12.325 1.00 -0.57 O HETATM 1955 OXT ARG A 86 17.253 1.986 -11.084 1.00 -0.57 O HETATM 1956 CB ARG A 86 13.833 2.926 -12.021 1.00 0.07 C HETATM 1957 CG ARG A 86 12.479 2.263 -12.092 1.00 0.18 C HETATM 1958 OD1 ARG A 86 12.375 1.091 -12.468 1.00 -0.40 O HETATM 1959 ND2 ARG A 86 11.429 3.009 -11.750 1.00 -0.30 N HETATM 1960 H126 ARG A 86 10.508 2.620 -11.779 1.00 0.18 H HETATM 1961 H127 ARG A 86 11.562 3.958 -11.464 1.00 0.18 H HETATM 1962 H124 ARG A 86 14.218 3.053 -13.044 1.00 0.05 H HETATM 1963 H125 ARG A 86 13.719 3.912 -11.547 1.00 0.05 H HETATM 1964 H123 ARG A 86 14.740 1.049 -11.493 1.00 0.08 H HETATM 1965 H122 ARG A 86 14.841 3.101 -9.333 1.00 0.19 H HETATM 1966 CB ARG A 86 12.571 1.478 -7.002 1.00 -0.01 C HETATM 1967 CG ARG A 86 11.786 2.701 -7.268 1.00 -0.02 C HETATM 1968 CD ARG A 86 10.466 2.776 -6.508 1.00 0.06 C HETATM 1969 NE ARG A 86 9.897 4.081 -6.809 1.00 -0.27 N HETATM 1970 CZ ARG A 86 8.617 4.399 -6.765 1.00 0.29 C HETATM 1971 NH1 ARG A 86 7.697 3.504 -6.420 1.00 -0.28 N HETATM 1972 H118 ARG A 86 6.703 3.772 -6.392 1.00 0.26 H HETATM 1973 H119 ARG A 86 7.978 2.542 -6.181 1.00 0.26 H HETATM 1974 NH2 ARG A 86 8.266 5.632 -7.105 1.00 -0.28 N HETATM 1975 H120 ARG A 86 8.987 6.318 -7.371 1.00 0.26 H HETATM 1976 H121 ARG A 86 7.272 5.904 -7.103 1.00 0.26 H HETATM 1977 H117 ARG A 86 10.554 4.826 -7.082 1.00 0.26 H HETATM 1978 H115 ARG A 86 10.643 2.677 -5.427 1.00 0.07 H HETATM 1979 H116 ARG A 86 9.787 1.978 -6.843 1.00 0.07 H HETATM 1980 H113 ARG A 86 11.566 2.742 -8.345 1.00 0.03 H HETATM 1981 H114 ARG A 86 12.397 3.571 -6.985 1.00 0.03 H HETATM 1982 H111 ARG A 86 12.604 1.315 -5.915 1.00 0.03 H HETATM 1983 H112 ARG A 86 12.067 0.628 -7.485 1.00 0.03 H HETATM 1984 H110 ARG A 86 14.597 0.789 -6.992 1.00 0.08 H HETATM 1985 H109 ARG A 86 14.029 3.654 -7.077 1.00 0.19 H HETATM 1986 CB ARG A 86 17.399 4.325 -5.763 1.00 0.03 C HETATM 1987 SG ARG A 86 18.621 5.665 -5.665 1.00 -0.17 S HETATM 1988 H108 ARG A 86 18.145 6.554 -5.682 1.00 0.10 H HETATM 1989 H106 ARG A 86 17.936 3.365 -5.730 1.00 0.04 H HETATM 1990 H107 ARG A 86 16.732 4.402 -4.892 1.00 0.04 H HETATM 1991 H105 ARG A 86 17.213 4.534 -7.879 1.00 0.08 H HETATM 1992 H104 ARG A 86 15.469 5.975 -6.136 1.00 0.19 H HETATM 1993 CB ARG A 86 14.904 8.311 -8.257 1.00 -0.00 C HETATM 1994 CG ARG A 86 14.178 9.604 -8.258 1.00 0.00 C HETATM 1995 CD ARG A 86 14.631 10.468 -9.407 1.00 0.04 C HETATM 1996 OE1 ARG A 86 15.869 10.627 -9.579 1.00 -0.57 O HETATM 1997 OE2 ARG A 86 13.740 10.976 -10.139 1.00 -0.57 O HETATM 1998 H102 ARG A 86 14.375 10.129 -7.312 1.00 0.04 H HETATM 1999 H103 ARG A 86 13.099 9.412 -8.354 1.00 0.04 H HETATM 2000 H100 ARG A 86 15.357 8.178 -9.250 1.00 0.03 H HETATM 2001 H101 ARG A 86 15.697 8.370 -7.497 1.00 0.03 H HETATM 2002 H99 ARG A 86 13.246 6.997 -8.695 1.00 0.08 H HETATM 2003 H98 ARG A 86 13.723 7.894 -6.024 1.00 0.19 H HETATM 2004 CB ARG A 86 10.880 7.368 -4.757 1.00 -0.00 C HETATM 2005 CG ARG A 86 10.135 7.349 -3.429 1.00 -0.00 C HETATM 2006 SD ARG A 86 9.455 5.685 -3.217 1.00 -0.16 S HETATM 2007 CE ARG A 86 8.590 5.821 -1.689 1.00 -0.02 C HETATM 2008 H95 ARG A 86 8.123 4.855 -1.445 1.00 0.03 H HETATM 2009 H96 ARG A 86 7.811 6.593 -1.776 1.00 0.03 H HETATM 2010 H97 ARG A 86 9.295 6.099 -0.892 1.00 0.03 H HETATM 2011 H93 ARG A 86 9.321 8.089 -3.443 1.00 0.04 H HETATM 2012 H94 ARG A 86 10.827 7.580 -2.606 1.00 0.04 H HETATM 2013 H91 ARG A 86 10.184 7.070 -5.555 1.00 0.03 H HETATM 2014 H92 ARG A 86 11.237 8.391 -4.945 1.00 0.03 H HETATM 2015 H90 ARG A 86 11.763 5.436 -4.397 1.00 0.08 H HETATM 2016 H89 ARG A 86 13.019 7.845 -3.497 1.00 0.19 H HETATM 2017 CB ARG A 86 14.807 6.738 -1.213 1.00 -0.01 C HETATM 2018 CG ARG A 86 15.867 7.052 -0.152 1.00 -0.04 C HETATM 2019 CD1 ARG A 86 15.243 7.001 1.241 1.00 -0.06 C HETATM 2020 H83 ARG A 86 16.011 7.228 1.995 1.00 0.02 H HETATM 2021 H84 ARG A 86 14.835 5.996 1.423 1.00 0.02 H HETATM 2022 H85 ARG A 86 14.434 7.743 1.308 1.00 0.02 H HETATM 2023 CD2 ARG A 86 17.023 6.051 -0.269 1.00 -0.06 C HETATM 2024 H86 ARG A 86 17.455 6.106 -1.279 1.00 0.02 H HETATM 2025 H87 ARG A 86 16.647 5.034 -0.086 1.00 0.02 H HETATM 2026 H88 ARG A 86 17.796 6.295 0.474 1.00 0.02 H HETATM 2027 H82 ARG A 86 16.257 8.066 -0.326 1.00 0.03 H HETATM 2028 H80 ARG A 86 14.487 5.696 -1.066 1.00 0.03 H HETATM 2029 H81 ARG A 86 13.954 7.411 -1.042 1.00 0.03 H HETATM 2030 H79 ARG A 86 16.206 6.398 -2.809 1.00 0.08 H HETATM 2031 H78 ARG A 86 15.189 9.003 -2.330 1.00 0.19 H HETATM 2032 CB ARG A 86 17.161 10.655 -4.040 1.00 0.02 C HETATM 2033 CG ARG A 86 18.337 10.002 -4.709 1.00 -0.04 C HETATM 2034 CD1 ARG A 86 18.572 10.197 -6.067 1.00 -0.06 C HETATM 2035 CE1 ARG A 86 19.614 9.535 -6.710 1.00 -0.07 C HETATM 2036 CZ ARG A 86 20.431 8.677 -6.002 1.00 -0.07 C HETATM 2037 CE2 ARG A 86 20.214 8.474 -4.654 1.00 -0.07 C HETATM 2038 CD2 ARG A 86 19.166 9.138 -4.009 1.00 -0.06 C HETATM 2039 H74 ARG A 86 19.000 8.976 -2.950 1.00 0.06 H HETATM 2040 H76 ARG A 86 20.855 7.801 -4.096 1.00 0.06 H HETATM 2041 H77 ARG A 86 21.242 8.163 -6.504 1.00 0.06 H HETATM 2042 H75 ARG A 86 19.784 9.694 -7.769 1.00 0.06 H HETATM 2043 H73 ARG A 86 17.937 10.871 -6.630 1.00 0.06 H HETATM 2044 H71 ARG A 86 17.220 10.461 -2.959 1.00 0.05 H HETATM 2045 H72 ARG A 86 17.212 11.739 -4.221 1.00 0.05 H HETATM 2046 H70 ARG A 86 15.790 10.278 -5.645 1.00 0.08 H HETATM 2047 H69 ARG A 86 14.866 11.547 -3.261 1.00 0.19 H HETATM 2048 CB ARG A 86 12.318 12.832 -4.266 1.00 -0.02 C HETATM 2049 H66 ARG A 86 12.252 12.802 -5.364 1.00 0.03 H HETATM 2050 H67 ARG A 86 13.242 13.350 -3.968 1.00 0.03 H HETATM 2051 H68 ARG A 86 11.449 13.371 -3.861 1.00 0.03 H HETATM 2052 H65 ARG A 86 11.383 10.927 -3.987 1.00 0.08 H HETATM 2053 H64 ARG A 86 12.514 12.316 -1.800 1.00 0.19 H HETATM 2054 CB ARG A 86 11.227 11.257 0.534 1.00 -0.01 C HETATM 2055 CG ARG A 86 9.821 10.759 0.119 1.00 -0.02 C HETATM 2056 CD ARG A 86 9.458 9.408 0.673 1.00 0.06 C HETATM 2057 NE ARG A 86 8.023 9.074 0.613 1.00 -0.27 N HETATM 2058 CZ ARG A 86 7.267 9.050 -0.486 1.00 0.29 C HETATM 2059 NH1 ARG A 86 7.770 9.352 -1.670 1.00 -0.28 N HETATM 2060 H60 ARG A 86 7.169 9.327 -2.506 1.00 0.26 H HETATM 2061 H61 ARG A 86 8.763 9.612 -1.757 1.00 0.26 H HETATM 2062 NH2 ARG A 86 6.010 8.642 -0.415 1.00 -0.28 N HETATM 2063 H62 ARG A 86 5.597 8.401 0.498 1.00 0.26 H HETATM 2064 H63 ARG A 86 5.444 8.565 -1.272 1.00 0.26 H HETATM 2065 H59 ARG A 86 7.561 8.837 1.503 1.00 0.26 H HETATM 2066 H57 ARG A 86 9.772 9.376 1.727 1.00 0.07 H HETATM 2067 H58 ARG A 86 10.010 8.646 0.103 1.00 0.07 H HETATM 2068 H55 ARG A 86 9.785 10.703 -0.979 1.00 0.03 H HETATM 2069 H56 ARG A 86 9.078 11.488 0.473 1.00 0.03 H HETATM 2070 H53 ARG A 86 11.303 12.307 0.214 1.00 0.03 H HETATM 2071 H54 ARG A 86 11.276 11.204 1.632 1.00 0.03 H HETATM 2072 H52 ARG A 86 12.602 9.566 0.507 1.00 0.08 H HETATM 2073 H51 ARG A 86 13.499 12.280 0.624 1.00 0.19 H HETATM 2074 CB ARG A 86 15.946 12.968 -1.290 1.00 0.04 C HETATM 2075 CG ARG A 86 15.292 14.264 -1.101 1.00 0.04 C HETATM 2076 OD1 ARG A 86 14.221 14.274 -0.463 1.00 -0.57 O HETATM 2077 OD2 ARG A 86 15.830 15.275 -1.589 1.00 -0.57 O HETATM 2078 H49 ARG A 86 15.419 12.420 -2.085 1.00 0.05 H HETATM 2079 H50 ARG A 86 16.989 13.141 -1.594 1.00 0.05 H HETATM 2080 H48 ARG A 86 15.726 12.727 0.874 1.00 0.08 H HETATM 2081 H47 ARG A 86 17.876 11.589 -0.652 1.00 0.19 H HETATM 2082 CB ARG A 86 18.977 8.798 0.501 1.00 0.02 C HETATM 2083 CG ARG A 86 20.267 8.206 -0.005 1.00 -0.05 C HETATM 2084 CD1 ARG A 86 20.846 7.133 0.639 1.00 -0.07 C HETATM 2085 CE1 ARG A 86 22.017 6.568 0.177 1.00 -0.04 C HETATM 2086 CZ ARG A 86 22.632 7.082 -0.952 1.00 0.08 C HETATM 2087 CE2 ARG A 86 22.080 8.160 -1.628 1.00 -0.04 C HETATM 2088 CD2 ARG A 86 20.898 8.716 -1.147 1.00 -0.07 C HETATM 2089 H43 ARG A 86 20.457 9.560 -1.666 1.00 0.05 H HETATM 2090 H45 ARG A 86 22.560 8.562 -2.513 1.00 0.05 H HETATM 2091 OH ARG A 86 23.788 6.507 -1.390 1.00 -0.34 O HETATM 2092 H46 ARG A 86 24.021 5.788 -0.814 1.00 0.25 H HETATM 2093 H44 ARG A 86 22.455 5.723 0.697 1.00 0.05 H HETATM 2094 H42 ARG A 86 20.372 6.726 1.525 1.00 0.05 H HETATM 2095 H40 ARG A 86 18.233 8.743 -0.307 1.00 0.05 H HETATM 2096 H41 ARG A 86 18.635 8.197 1.356 1.00 0.05 H HETATM 2097 H39 ARG A 86 19.580 10.833 0.159 1.00 0.08 H HETATM 2098 H38 ARG A 86 19.439 10.157 3.043 1.00 0.19 H HETATM 2099 CB ARG A 86 21.551 12.357 4.031 1.00 -0.00 C HETATM 2100 CG1 ARG A 86 22.232 12.553 5.389 1.00 -0.05 C HETATM 2101 CD1 ARG A 86 23.736 12.790 5.324 1.00 -0.06 C HETATM 2102 H35 ARG A 86 24.131 12.918 6.343 1.00 0.02 H HETATM 2103 H36 ARG A 86 23.939 13.696 4.735 1.00 0.02 H HETATM 2104 H37 ARG A 86 24.223 11.926 4.848 1.00 0.02 H HETATM 2105 H30 ARG A 86 22.054 11.652 5.994 1.00 0.03 H HETATM 2106 H31 ARG A 86 21.770 13.422 5.881 1.00 0.03 H HETATM 2107 CG2 ARG A 86 20.053 12.628 4.123 1.00 -0.06 C HETATM 2108 H32 ARG A 86 19.592 12.480 3.135 1.00 0.02 H HETATM 2109 H33 ARG A 86 19.887 13.664 4.453 1.00 0.02 H HETATM 2110 H34 ARG A 86 19.599 11.936 4.847 1.00 0.02 H HETATM 2111 H29 ARG A 86 21.993 13.064 3.313 1.00 0.03 H HETATM 2112 H28 ARG A 86 21.319 10.221 4.224 1.00 0.08 H HETATM 2113 H27 ARG A 86 23.782 11.260 2.905 1.00 0.19 H HETATM 2114 CB ARG A 86 25.466 7.960 3.209 1.00 -0.00 C HETATM 2115 CG1 ARG A 86 26.955 7.761 2.918 1.00 -0.05 C HETATM 2116 CD1 ARG A 86 27.621 8.714 1.885 1.00 -0.06 C HETATM 2117 H24 ARG A 86 28.685 8.454 1.779 1.00 0.02 H HETATM 2118 H25 ARG A 86 27.530 9.753 2.233 1.00 0.02 H HETATM 2119 H26 ARG A 86 27.119 8.608 0.912 1.00 0.02 H HETATM 2120 H19 ARG A 86 27.083 6.733 2.548 1.00 0.03 H HETATM 2121 H20 ARG A 86 27.495 7.878 3.869 1.00 0.03 H HETATM 2122 CG2 ARG A 86 24.653 7.750 1.953 1.00 -0.06 C HETATM 2123 H21 ARG A 86 23.586 7.896 2.178 1.00 0.02 H HETATM 2124 H22 ARG A 86 24.812 6.728 1.580 1.00 0.02 H HETATM 2125 H23 ARG A 86 24.969 8.473 1.187 1.00 0.02 H HETATM 2126 H18 ARG A 86 25.151 7.224 3.963 1.00 0.03 H HETATM 2127 H17 ARG A 86 25.559 10.122 3.021 1.00 0.08 H HETATM 2128 H16 ARG A 86 26.057 8.865 5.653 1.00 0.19 H HETATM 2129 CB ARG A 86 26.332 11.519 7.692 1.00 0.01 C HETATM 2130 CG ARG A 86 24.990 10.777 7.899 1.00 -0.01 C HETATM 2131 CD ARG A 86 24.125 11.459 8.958 1.00 0.06 C HETATM 2132 NE ARG A 86 24.800 11.481 10.253 1.00 -0.27 N HETATM 2133 CZ ARG A 86 24.865 10.453 11.092 1.00 0.29 C HETATM 2134 NH1 ARG A 86 24.290 9.292 10.794 1.00 -0.28 N HETATM 2135 H12 ARG A 86 24.349 8.504 11.454 1.00 0.26 H HETATM 2136 H13 ARG A 86 23.786 9.181 9.903 1.00 0.26 H HETATM 2137 NH2 ARG A 86 25.534 10.588 12.227 1.00 -0.28 N HETATM 2138 H14 ARG A 86 25.980 11.487 12.458 1.00 0.26 H HETATM 2139 H15 ARG A 86 25.609 9.794 12.878 1.00 0.26 H HETATM 2140 H11 ARG A 86 25.259 12.358 10.537 1.00 0.26 H HETATM 2141 H9 ARG A 86 23.177 10.910 9.056 1.00 0.07 H HETATM 2142 H10 ARG A 86 23.919 12.492 8.643 1.00 0.07 H HETATM 2143 H7 ARG A 86 25.199 9.745 8.219 1.00 0.03 H HETATM 2144 H8 ARG A 86 24.441 10.761 6.946 1.00 0.03 H HETATM 2145 H5 ARG A 86 26.115 12.550 7.376 1.00 0.03 H HETATM 2146 H6 ARG A 86 26.873 11.535 8.650 1.00 0.03 H HETATM 2147 H4 ARG A 86 27.477 9.841 6.957 1.00 0.11 H HETATM 2148 H1 ARG A 86 28.991 11.658 7.357 1.00 0.20 H HETATM 2149 H2 ARG A 86 28.308 12.557 6.159 1.00 0.20 H HETATM 2150 H3 ARG A 86 29.093 11.157 5.792 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1754 1755 1764 1765 1766 CONECT 1764 1754 CONECT 1765 1754 CONECT 1766 1754 CONECT 1899 1900 2148 2149 2150 CONECT 1900 1899 1901 2129 2147 CONECT 1901 1900 1902 1903 CONECT 1902 1901 CONECT 1903 1901 1904 2128 CONECT 1904 1903 1905 2114 2127 CONECT 1905 1904 1906 1907 CONECT 1906 1905 CONECT 1907 1905 1908 2113 CONECT 1908 1907 1909 2099 2112 CONECT 1909 1908 1910 1911 CONECT 1910 1909 CONECT 1911 1909 1912 2098 CONECT 1912 1911 1913 2082 2097 CONECT 1913 1912 1914 1915 CONECT 1914 1913 CONECT 1915 1913 1916 2081 CONECT 1916 1915 1917 2074 2080 CONECT 1917 1916 1918 1919 CONECT 1918 1917 CONECT 1919 1917 1920 2073 CONECT 1920 1919 1921 2054 2072 CONECT 1921 1920 1922 1923 CONECT 1922 1921 CONECT 1923 1921 1924 2053 CONECT 1924 1923 1925 2048 2052 CONECT 1925 1924 1926 1927 CONECT 1926 1925 CONECT 1927 1925 1928 2047 CONECT 1928 1927 1929 2032 2046 CONECT 1929 1928 1930 1931 CONECT 1930 1929 CONECT 1931 1929 1932 2031 CONECT 1932 1931 1933 2017 2030 CONECT 1933 1932 1934 1935 CONECT 1934 1933 CONECT 1935 1933 1936 2016 CONECT 1936 1935 1937 2004 2015 CONECT 1937 1936 1938 1939 CONECT 1938 1937 CONECT 1939 1937 1940 2003 CONECT 1940 1939 1941 1993 2002 CONECT 1941 1940 1942 1943 CONECT 1942 1941 CONECT 1943 1941 1944 1992 CONECT 1944 1943 1945 1986 1991 CONECT 1945 1944 1946 1947 CONECT 1946 1945 CONECT 1947 1945 1948 1985 CONECT 1948 1947 1949 1966 1984 CONECT 1949 1948 1950 1951 CONECT 1950 1949 CONECT 1951 1949 1952 1965 CONECT 1952 1951 1953 1956 1964 CONECT 1953 1952 1954 1955 CONECT 1954 1953 CONECT 1955 1953 CONECT 1956 1952 1957 1962 1963 CONECT 1957 1956 1958 1959 CONECT 1958 1957 CONECT 1959 1957 1960 1961 CONECT 1960 1959 CONECT 1961 1959 CONECT 1962 1956 CONECT 1963 1956 CONECT 1964 1952 CONECT 1965 1951 CONECT 1966 1948 1967 1982 1983 CONECT 1967 1966 1968 1980 1981 CONECT 1968 1967 1969 1978 1979 CONECT 1969 1968 1970 1977 CONECT 1970 1969 1971 1974 CONECT 1971 1970 1972 1973 CONECT 1972 1971 CONECT 1973 1971 CONECT 1974 1970 1975 1976 CONECT 1975 1974 CONECT 1976 1974 CONECT 1977 1969 CONECT 1978 1968 CONECT 1979 1968 CONECT 1980 1967 CONECT 1981 1967 CONECT 1982 1966 CONECT 1983 1966 CONECT 1984 1948 CONECT 1985 1947 CONECT 1986 1944 1987 1989 1990 CONECT 1987 1986 1988 CONECT 1988 1987 CONECT 1989 1986 CONECT 1990 1986 CONECT 1991 1944 CONECT 1992 1943 CONECT 1993 1940 1994 2000 2001 CONECT 1994 1993 1995 1998 1999 CONECT 1995 1994 1996 1997 CONECT 1996 1995 CONECT 1997 1995 CONECT 1998 1994 CONECT 1999 1994 CONECT 2000 1993 CONECT 2001 1993 CONECT 2002 1940 CONECT 2003 1939 CONECT 2004 1936 2005 2013 2014 CONECT 2005 2004 2006 2011 2012 CONECT 2006 2005 2007 CONECT 2007 2006 2008 2009 2010 CONECT 2008 2007 CONECT 2009 2007 CONECT 2010 2007 CONECT 2011 2005 CONECT 2012 2005 CONECT 2013 2004 CONECT 2014 2004 CONECT 2015 1936 CONECT 2016 1935 CONECT 2017 1932 2018 2028 2029 CONECT 2018 2017 2019 2023 2027 CONECT 2019 2018 2020 2021 2022 CONECT 2020 2019 CONECT 2021 2019 CONECT 2022 2019 CONECT 2023 2018 2024 2025 2026 CONECT 2024 2023 CONECT 2025 2023 CONECT 2026 2023 CONECT 2027 2018 CONECT 2028 2017 CONECT 2029 2017 CONECT 2030 1932 CONECT 2031 1931 CONECT 2032 1928 2033 2044 2045 CONECT 2033 2032 2034 2038 CONECT 2034 2033 2035 2043 CONECT 2035 2034 2036 2042 CONECT 2036 2035 2037 2041 CONECT 2037 2036 2038 2040 CONECT 2038 2033 2037 2039 CONECT 2039 2038 CONECT 2040 2037 CONECT 2041 2036 CONECT 2042 2035 CONECT 2043 2034 CONECT 2044 2032 CONECT 2045 2032 CONECT 2046 1928 CONECT 2047 1927 CONECT 2048 1924 2049 2050 2051 CONECT 2049 2048 CONECT 2050 2048 CONECT 2051 2048 CONECT 2052 1924 CONECT 2053 1923 CONECT 2054 1920 2055 2070 2071 CONECT 2055 2054 2056 2068 2069 CONECT 2056 2055 2057 2066 2067 CONECT 2057 2056 2058 2065 CONECT 2058 2057 2059 2062 CONECT 2059 2058 2060 2061 CONECT 2060 2059 CONECT 2061 2059 CONECT 2062 2058 2063 2064 CONECT 2063 2062 CONECT 2064 2062 CONECT 2065 2057 CONECT 2066 2056 CONECT 2067 2056 CONECT 2068 2055 CONECT 2069 2055 CONECT 2070 2054 CONECT 2071 2054 CONECT 2072 1920 CONECT 2073 1919 CONECT 2074 1916 2075 2078 2079 CONECT 2075 2074 2076 2077 CONECT 2076 2075 CONECT 2077 2075 CONECT 2078 2074 CONECT 2079 2074 CONECT 2080 1916 CONECT 2081 1915 CONECT 2082 1912 2083 2095 2096 CONECT 2083 2082 2084 2088 CONECT 2084 2083 2085 2094 CONECT 2085 2084 2086 2093 CONECT 2086 2085 2087 2091 CONECT 2087 2086 2088 2090 CONECT 2088 2083 2087 2089 CONECT 2089 2088 CONECT 2090 2087 CONECT 2091 2086 2092 CONECT 2092 2091 CONECT 2093 2085 CONECT 2094 2084 CONECT 2095 2082 CONECT 2096 2082 CONECT 2097 1912 CONECT 2098 1911 CONECT 2099 1908 2100 2107 2111 CONECT 2100 2099 2101 2105 2106 CONECT 2101 2100 2102 2103 2104 CONECT 2102 2101 CONECT 2103 2101 CONECT 2104 2101 CONECT 2105 2100 CONECT 2106 2100 CONECT 2107 2099 2108 2109 2110 CONECT 2108 2107 CONECT 2109 2107 CONECT 2110 2107 CONECT 2111 2099 CONECT 2112 1908 CONECT 2113 1907 CONECT 2114 1904 2115 2122 2126 CONECT 2115 2114 2116 2120 2121 CONECT 2116 2115 2117 2118 2119 CONECT 2117 2116 CONECT 2118 2116 CONECT 2119 2116 CONECT 2120 2115 CONECT 2121 2115 CONECT 2122 2114 2123 2124 2125 CONECT 2123 2122 CONECT 2124 2122 CONECT 2125 2122 CONECT 2126 2114 CONECT 2127 1904 CONECT 2128 1903 CONECT 2129 1900 2130 2145 2146 CONECT 2130 2129 2131 2143 2144 CONECT 2131 2130 2132 2141 2142 CONECT 2132 2131 2133 2140 CONECT 2133 2132 2134 2137 CONECT 2134 2133 2135 2136 CONECT 2135 2134 CONECT 2136 2134 CONECT 2137 2133 2138 2139 CONECT 2138 2137 CONECT 2139 2137 CONECT 2140 2132 CONECT 2141 2131 CONECT 2142 2131 CONECT 2143 2130 CONECT 2144 2130 CONECT 2145 2129 CONECT 2146 2129 CONECT 2147 1900 CONECT 2148 1899 CONECT 2149 1899 CONECT 2150 1899 MASTER 0 0 0 0 0 0 0 0 2148 2 260 15 END
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3fdm
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3o0e
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3u3f
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3uxg
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3uzd
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3v30
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4esg
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4fmq
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4uu5
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5ajp
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5i22
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Entry Information
PDB ID
1ej4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
eukaryotic initiation factor 4e
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
2.25(Å)
Affinity (Kd/Ki/IC50)
Kd=50nM
Release Year
2000
Protein/NA Sequence
Check fasta file
Primary Reference
Mol.Cell v3 pp. 707-16, 1999
Ligand Properties
Formula
C
7
8
H
1
3
0
N
2
4
O
2
1
S
2
Molecular Weight
1804.140
Exact Mass
1802.930
No. of atoms
255
No. of bonds
256
Polar Surface Area
843.29
LOGP Value
4.65 (
Computed with XLOGP3
)
-2.38 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 72
No. of Nitrogen and Oxygen Atoms: 45
No. of Rings: 2
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)CCC[NH+]=C(N)N)CS)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])Cc1ccc(cc1)O)CC(=O)O)CCC[NH+]=C(N)N)C)Cc1ccccc1)CC(C)C
InChI String
InChI=1S/C78H126N24O21S2/c1-9-40(5)60(102-74(121)61(41(6)10-2)101-63(110)46(79)19-14-29-87-76(81)82)73(120)98-53(35-44-22-24-45(103)25-23-44)70(117)97-54(37-59(107)108)71(118)91-47(20-15-30-88-77(83)84)64(111)90-42(7)62(109)95-52(34-43-17-12-11-13-18-43)69(116)96-51(33-39(3)4)68(115)94-50(28-32-125-8)67(114)93-49(26-27-58(105)106)66(113)100-56(38-124)72(119)92-48(21-16-31-89-78(85)86)65(112)99-55(75(122)123)36-57(80)104/h11-13,17-18,22-25,39-42,46-56,60-61,103,124H,9-10,14-16,19-21,26-38,79H2,1-8H3,(H2,80,104)(H,90,111)(H,91,118)(H,92,119)(H,93,114)(H,94,115)(H,95,109)(H,96,116)(H,97,117)(H,98,120)(H,99,112)(H,100,113)(H,101,110)(H,102,121)(H,105,106)(H,107,108)(H,122,123)(H4,81,82,87)(H4,83,84,88)(H4,85,86,89)/p+4/t40-,41-,42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-,61-/m0/s1
Links to External Databases
RCSB PDB
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P63073
Q13541
Entrez Gene ID
NCBI Entrez Gene ID:
13684
1978
ASD
Information of known allosteric effects of PDB entries
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