Browse entries in the PDBbind-CN Database
HEADER 4TPW_COMPLEX COMPND 4TPW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 185 HIS TYR ILE LYS HIS PRO LEU GLN ASN ARG TRP ALA LEU SEQRES 2 A 185 TRP PHE PHE LYS ASN ASP LYS SER LYS THR TRP GLN ALA SEQRES 3 A 185 ASN LEU ARG LEU ILE SER LYS PHE ASP THR VAL GLU ASP SEQRES 4 A 185 PHE TRP ALA LEU TYR ASN HIS ILE GLN LEU SER SER ASN SEQRES 5 A 185 LEU MET PRO GLY CYS ASP TYR SER LEU PHE LYS ASP GLY SEQRES 6 A 185 ILE GLU PRO MET TRP GLU ASP GLU LYS ASN LYS ARG GLY SEQRES 7 A 185 GLY ARG TRP LEU ILE THR LEU ASN LYS GLN GLN ARG ARG SEQRES 8 A 185 SER ASP LEU ASP ARG PHE TRP LEU GLU THR LEU LEU CYS SEQRES 9 A 185 LEU ILE GLY GLU SER PHE ASP ASP TYR SER ASP ASP VAL SEQRES 10 A 185 CYS GLY ALA VAL VAL ASN VAL ARG ALA LYS GLY ASP LYS SEQRES 11 A 185 ILE ALA ILE TRP THR THR GLU CYS GLU ASN ARG GLU ALA SEQRES 12 A 185 VAL THR HIS ILE GLY ARG VAL TYR LYS GLU ARG LEU GLY SEQRES 13 A 185 LEU PRO PRO LYS ILE VAL ILE GLY TYR GLN SER HIS ALA SEQRES 14 A 185 ASP THR ALA THR LYS SER GLY SER THR THR LYS ASN ARG SEQRES 15 A 185 PHE VAL VAL HET UNN A 362 40 ATOM 1 N HIS A 33 27.348 6.193 18.239 1.00 85.57 N ATOM 2 CA HIS A 33 27.491 5.704 16.873 1.00 83.38 C ATOM 3 C HIS A 33 26.542 4.538 16.617 1.00 77.86 C ATOM 4 O HIS A 33 26.511 3.574 17.384 1.00 73.46 O ATOM 5 CB HIS A 33 28.936 5.279 16.609 1.00 88.37 C ATOM 6 CG HIS A 33 29.188 4.836 15.202 1.00 90.71 C ATOM 7 ND1 HIS A 33 28.559 5.410 14.118 1.00 88.58 N ATOM 8 CD2 HIS A 33 30.003 3.879 14.700 1.00 90.50 C ATOM 9 CE1 HIS A 33 28.974 4.822 13.009 1.00 88.74 C ATOM 10 NE2 HIS A 33 29.851 3.890 13.335 1.00 90.27 N ATOM 11 HN3 HIS A 33 27.569 5.426 18.905 1.00 0.00 H ATOM 12 HN2 HIS A 33 26.371 6.514 18.390 1.00 0.00 H ATOM 13 HN1 HIS A 33 28.003 6.986 18.392 1.00 0.00 H ATOM 14 N TYR A 34 25.772 4.634 15.535 1.00 71.04 N ATOM 15 CA TYR A 34 24.762 3.629 15.212 1.00 63.28 C ATOM 16 C TYR A 34 24.767 3.272 13.732 1.00 63.74 C ATOM 17 O TYR A 34 24.341 4.058 12.885 1.00 62.75 O ATOM 18 CB TYR A 34 23.375 4.124 15.620 1.00 59.99 C ATOM 19 CG TYR A 34 23.267 4.451 17.088 1.00 58.61 C ATOM 20 CD1 TYR A 34 23.644 5.697 17.568 1.00 63.02 C ATOM 21 CD2 TYR A 34 22.796 3.514 17.996 1.00 53.89 C ATOM 22 CE1 TYR A 34 23.554 6.002 18.908 1.00 66.49 C ATOM 23 CE2 TYR A 34 22.700 3.812 19.343 1.00 56.51 C ATOM 24 CZ TYR A 34 23.081 5.058 19.792 1.00 61.69 C ATOM 25 OH TYR A 34 22.991 5.368 21.129 1.00 60.06 O ATOM 26 HH TYR A 34 23.304 6.296 21.273 1.00 0.00 H ATOM 27 H TYR A 34 25.893 5.449 14.901 1.00 0.00 H ATOM 28 N ILE A 35 25.248 2.071 13.437 1.00 62.86 N ATOM 29 CA ILE A 35 25.285 1.559 12.075 1.00 57.19 C ATOM 30 C ILE A 35 23.993 0.816 11.755 1.00 48.53 C ATOM 31 O ILE A 35 23.391 0.201 12.637 1.00 46.82 O ATOM 32 CB ILE A 35 26.485 0.613 11.867 1.00 61.32 C ATOM 33 CG1 ILE A 35 26.333 -0.649 12.720 1.00 61.10 C ATOM 34 CG2 ILE A 35 27.788 1.318 12.213 1.00 67.98 C ATOM 35 CD1 ILE A 35 25.788 -1.832 11.959 1.00 62.23 C ATOM 36 H ILE A 35 25.612 1.474 14.207 1.00 0.00 H ATOM 37 N LYS A 36 23.566 0.874 10.498 1.00 40.54 N ATOM 38 CA LYS A 36 22.415 0.097 10.058 1.00 34.82 C ATOM 39 C LYS A 36 22.874 -1.291 9.626 1.00 31.34 C ATOM 40 O LYS A 36 24.032 -1.481 9.253 1.00 32.68 O ATOM 41 CB LYS A 36 21.676 0.807 8.922 1.00 44.65 C ATOM 42 CG LYS A 36 21.039 2.121 9.344 1.00 49.19 C ATOM 43 CD LYS A 36 19.690 2.338 8.683 1.00 38.93 C ATOM 44 CE LYS A 36 19.030 3.595 9.213 1.00 51.98 C ATOM 45 NZ LYS A 36 17.632 3.768 8.723 1.00 43.75 N ATOM 46 HZ1 LYS A 36 17.634 3.825 7.685 1.00 0.00 H ATOM 47 HZ2 LYS A 36 17.057 2.956 9.026 1.00 0.00 H ATOM 48 HZ3 LYS A 36 17.233 4.643 9.118 1.00 0.00 H ATOM 49 H LYS A 36 24.062 1.484 9.817 1.00 0.00 H ATOM 50 N HIS A 37 21.959 -2.253 9.694 1.00 25.13 N ATOM 51 CA HIS A 37 22.268 -3.653 9.415 1.00 24.19 C ATOM 52 C HIS A 37 21.631 -4.116 8.107 1.00 22.97 C ATOM 53 O HIS A 37 20.420 -4.318 8.052 1.00 22.56 O ATOM 54 CB HIS A 37 21.784 -4.537 10.563 1.00 24.01 C ATOM 55 CG HIS A 37 22.462 -4.254 11.865 1.00 25.84 C ATOM 56 ND1 HIS A 37 22.120 -3.188 12.668 1.00 26.33 N ATOM 57 CD2 HIS A 37 23.473 -4.895 12.498 1.00 27.62 C ATOM 58 CE1 HIS A 37 22.885 -3.190 13.746 1.00 28.29 C ATOM 59 NE2 HIS A 37 23.715 -4.213 13.666 1.00 32.44 N ATOM 60 H HIS A 37 20.985 -1.999 9.956 1.00 0.00 H ATOM 61 N PRO A 38 22.443 -4.297 7.051 1.00 23.56 N ATOM 62 CA PRO A 38 21.866 -4.675 5.755 1.00 22.56 C ATOM 63 C PRO A 38 21.215 -6.050 5.743 1.00 26.47 C ATOM 64 O PRO A 38 21.683 -6.972 6.414 1.00 27.75 O ATOM 65 CB PRO A 38 23.075 -4.663 4.809 1.00 24.49 C ATOM 66 CG PRO A 38 24.099 -3.833 5.492 1.00 40.15 C ATOM 67 CD PRO A 38 23.894 -4.067 6.952 1.00 26.99 C ATOM 68 N LEU A 39 20.138 -6.167 4.976 1.00 23.81 N ATOM 69 CA LEU A 39 19.529 -7.453 4.673 1.00 20.88 C ATOM 70 C LEU A 39 20.213 -8.037 3.444 1.00 22.91 C ATOM 71 O LEU A 39 20.849 -7.306 2.682 1.00 22.49 O ATOM 72 CB LEU A 39 18.028 -7.296 4.425 1.00 18.76 C ATOM 73 CG LEU A 39 17.183 -6.765 5.579 1.00 18.74 C ATOM 74 CD1 LEU A 39 15.771 -6.447 5.114 1.00 17.37 C ATOM 75 CD2 LEU A 39 17.158 -7.778 6.711 1.00 20.27 C ATOM 76 H LEU A 39 19.713 -5.306 4.576 1.00 0.00 H ATOM 77 N GLN A 40 20.094 -9.347 3.245 1.00 21.28 N ATOM 78 CA GLN A 40 20.668 -9.996 2.069 1.00 22.84 C ATOM 79 C GLN A 40 20.015 -9.480 0.796 1.00 23.64 C ATOM 80 O GLN A 40 20.662 -9.367 -0.244 1.00 25.74 O ATOM 81 CB GLN A 40 20.508 -11.516 2.144 1.00 26.54 C ATOM 82 CG GLN A 40 21.473 -12.198 3.094 1.00 29.59 C ATOM 83 CD GLN A 40 21.542 -13.701 2.884 1.00 33.49 C ATOM 84 OE1 GLN A 40 21.538 -14.181 1.750 1.00 39.96 O ATOM 85 NE2 GLN A 40 21.595 -14.452 3.978 1.00 28.17 N ATOM 86 HE22 GLN A 40 21.596 -14.004 4.917 1.00 0.00 H ATOM 87 HE21 GLN A 40 21.635 -15.488 3.896 1.00 0.00 H ATOM 88 H GLN A 40 19.580 -9.922 3.943 1.00 0.00 H ATOM 89 N ASN A 41 18.724 -9.177 0.895 1.00 20.64 N ATOM 90 CA ASN A 41 17.949 -8.675 -0.234 1.00 21.78 C ATOM 91 C ASN A 41 17.222 -7.377 0.087 1.00 19.25 C ATOM 92 O ASN A 41 16.937 -7.070 1.250 1.00 19.38 O ATOM 93 CB ASN A 41 16.925 -9.720 -0.686 1.00 21.04 C ATOM 94 CG ASN A 41 17.529 -10.782 -1.580 1.00 31.45 C ATOM 95 OD1 ASN A 41 17.966 -10.497 -2.695 1.00 37.10 O ATOM 96 ND2 ASN A 41 17.540 -12.021 -1.102 1.00 31.65 N ATOM 97 HD22 ASN A 41 17.160 -12.216 -0.154 1.00 0.00 H ATOM 98 HD21 ASN A 41 17.929 -12.796 -1.676 1.00 0.00 H ATOM 99 H ASN A 41 18.249 -9.303 1.812 1.00 0.00 H ATOM 100 N ARG A 42 16.932 -6.619 -0.966 1.00 21.52 N ATOM 101 CA ARG A 42 16.033 -5.483 -0.879 1.00 19.26 C ATOM 102 C ARG A 42 14.621 -5.985 -1.127 1.00 17.17 C ATOM 103 O ARG A 42 14.399 -6.831 -2.002 1.00 21.66 O ATOM 104 CB ARG A 42 16.411 -4.400 -1.889 1.00 23.10 C ATOM 105 CG ARG A 42 15.476 -3.195 -1.876 1.00 24.32 C ATOM 106 CD ARG A 42 16.030 -2.022 -2.679 1.00 30.22 C ATOM 107 NE ARG A 42 17.336 -1.586 -2.187 1.00 38.62 N ATOM 108 CZ ARG A 42 18.506 -1.953 -2.704 1.00 47.31 C ATOM 109 NH1 ARG A 42 18.561 -2.769 -3.751 1.00 50.27 N ATOM 110 NH2 ARG A 42 19.632 -1.500 -2.171 1.00 49.46 N ATOM 111 HE ARG A 42 17.352 -0.941 -1.372 1.00 0.00 H ATOM 112 HH12 ARG A 42 19.482 -3.048 -4.145 1.00 0.00 H ATOM 113 HH11 ARG A 42 17.683 -3.129 -4.176 1.00 0.00 H ATOM 114 HH22 ARG A 42 20.548 -1.784 -2.572 1.00 0.00 H ATOM 115 HH21 ARG A 42 19.599 -0.860 -1.352 1.00 0.00 H ATOM 116 H ARG A 42 17.364 -6.848 -1.884 1.00 0.00 H ATOM 117 N TRP A 43 13.681 -5.456 -0.357 1.00 18.45 N ATOM 118 CA TRP A 43 12.297 -5.905 -0.378 1.00 18.94 C ATOM 119 C TRP A 43 11.366 -4.740 -0.641 1.00 20.18 C ATOM 120 O TRP A 43 11.683 -3.594 -0.328 1.00 21.20 O ATOM 121 CB TRP A 43 11.934 -6.576 0.946 1.00 19.30 C ATOM 122 CG TRP A 43 12.754 -7.792 1.219 1.00 19.10 C ATOM 123 CD1 TRP A 43 13.946 -7.846 1.882 1.00 20.47 C ATOM 124 CD2 TRP A 43 12.453 -9.134 0.825 1.00 18.06 C ATOM 125 NE1 TRP A 43 14.405 -9.136 1.925 1.00 18.36 N ATOM 126 CE2 TRP A 43 13.506 -9.950 1.287 1.00 16.72 C ATOM 127 CE3 TRP A 43 11.394 -9.728 0.130 1.00 17.83 C ATOM 128 CZ2 TRP A 43 13.532 -11.325 1.072 1.00 18.49 C ATOM 129 CZ3 TRP A 43 11.421 -11.095 -0.080 1.00 18.40 C ATOM 130 CH2 TRP A 43 12.483 -11.879 0.389 1.00 20.11 C ATOM 131 HE1 TRP A 43 15.292 -9.447 2.370 1.00 0.00 H ATOM 132 H TRP A 43 13.944 -4.686 0.291 1.00 0.00 H ATOM 133 N ALA A 44 10.213 -5.049 -1.219 1.00 17.88 N ATOM 134 CA ALA A 44 9.194 -4.054 -1.499 1.00 19.28 C ATOM 135 C ALA A 44 7.882 -4.505 -0.891 1.00 16.60 C ATOM 136 O ALA A 44 7.469 -5.647 -1.080 1.00 16.84 O ATOM 137 CB ALA A 44 9.046 -3.851 -2.990 1.00 20.02 C ATOM 138 H ALA A 44 10.033 -6.039 -1.481 1.00 0.00 H ATOM 139 N LEU A 45 7.233 -3.607 -0.160 1.00 15.26 N ATOM 140 CA LEU A 45 5.916 -3.878 0.394 1.00 15.16 C ATOM 141 C LEU A 45 4.849 -3.296 -0.518 1.00 18.04 C ATOM 142 O LEU A 45 4.933 -2.128 -0.903 1.00 18.90 O ATOM 143 CB LEU A 45 5.779 -3.295 1.796 1.00 17.96 C ATOM 144 CG LEU A 45 4.474 -3.635 2.519 1.00 18.57 C ATOM 145 CD1 LEU A 45 4.417 -5.109 2.884 1.00 19.90 C ATOM 146 CD2 LEU A 45 4.319 -2.778 3.766 1.00 22.53 C ATOM 147 H LEU A 45 7.678 -2.685 0.021 1.00 0.00 H ATOM 148 N TRP A 46 3.856 -4.119 -0.843 1.00 18.71 N ATOM 149 CA TRP A 46 2.758 -3.743 -1.730 1.00 16.33 C ATOM 150 C TRP A 46 1.425 -3.804 -0.999 1.00 18.12 C ATOM 151 O TRP A 46 1.228 -4.653 -0.132 1.00 18.68 O ATOM 152 CB TRP A 46 2.703 -4.673 -2.941 1.00 16.84 C ATOM 153 CG TRP A 46 3.935 -4.689 -3.777 1.00 20.65 C ATOM 154 CD1 TRP A 46 5.122 -5.285 -3.477 1.00 22.31 C ATOM 155 CD2 TRP A 46 4.096 -4.101 -5.070 1.00 20.87 C ATOM 156 NE1 TRP A 46 6.017 -5.097 -4.498 1.00 21.61 N ATOM 157 CE2 TRP A 46 5.413 -4.370 -5.490 1.00 21.05 C ATOM 158 CE3 TRP A 46 3.256 -3.369 -5.913 1.00 25.20 C ATOM 159 CZ2 TRP A 46 5.909 -3.937 -6.718 1.00 27.20 C ATOM 160 CZ3 TRP A 46 3.749 -2.938 -7.133 1.00 23.65 C ATOM 161 CH2 TRP A 46 5.064 -3.222 -7.523 1.00 30.52 C ATOM 162 HE1 TRP A 46 6.995 -5.449 -4.517 1.00 0.00 H ATOM 163 H TRP A 46 3.862 -5.080 -0.445 1.00 0.00 H ATOM 164 N PHE A 47 0.514 -2.909 -1.369 1.00 17.64 N ATOM 165 CA PHE A 47 -0.857 -2.910 -0.868 1.00 18.45 C ATOM 166 C PHE A 47 -1.805 -3.297 -1.991 1.00 20.32 C ATOM 167 O PHE A 47 -1.576 -2.937 -3.140 1.00 22.86 O ATOM 168 CB PHE A 47 -1.234 -1.532 -0.321 1.00 21.23 C ATOM 169 CG PHE A 47 -2.636 -1.445 0.204 1.00 23.53 C ATOM 170 CD1 PHE A 47 -2.943 -1.900 1.475 1.00 31.44 C ATOM 171 CD2 PHE A 47 -3.646 -0.893 -0.568 1.00 23.90 C ATOM 172 CE1 PHE A 47 -4.233 -1.815 1.963 1.00 29.46 C ATOM 173 CE2 PHE A 47 -4.937 -0.806 -0.085 1.00 31.57 C ATOM 174 CZ PHE A 47 -5.230 -1.267 1.182 1.00 36.11 C ATOM 175 H PHE A 47 0.792 -2.172 -2.048 1.00 0.00 H ATOM 176 N PHE A 48 -2.868 -4.020 -1.654 1.00 20.00 N ATOM 177 CA PHE A 48 -3.887 -4.396 -2.627 1.00 20.97 C ATOM 178 C PHE A 48 -5.276 -4.216 -2.036 1.00 23.48 C ATOM 179 O PHE A 48 -5.540 -4.676 -0.931 1.00 22.84 O ATOM 180 CB PHE A 48 -3.684 -5.843 -3.075 1.00 29.34 C ATOM 181 CG PHE A 48 -4.692 -6.318 -4.084 1.00 32.60 C ATOM 182 CD1 PHE A 48 -4.417 -6.249 -5.436 1.00 30.33 C ATOM 183 CD2 PHE A 48 -5.909 -6.840 -3.677 1.00 35.31 C ATOM 184 CE1 PHE A 48 -5.339 -6.692 -6.368 1.00 33.77 C ATOM 185 CE2 PHE A 48 -6.833 -7.282 -4.602 1.00 45.59 C ATOM 186 CZ PHE A 48 -6.548 -7.205 -5.948 1.00 38.81 C ATOM 187 H PHE A 48 -2.976 -4.327 -0.666 1.00 0.00 H ATOM 188 N LYS A 49 -6.146 -3.530 -2.776 1.00 23.24 N ATOM 189 CA LYS A 49 -7.538 -3.350 -2.375 1.00 26.02 C ATOM 190 C LYS A 49 -8.476 -4.106 -3.306 1.00 36.28 C ATOM 191 O LYS A 49 -8.551 -3.816 -4.496 1.00 40.17 O ATOM 192 CB LYS A 49 -7.913 -1.870 -2.360 1.00 35.54 C ATOM 193 CG LYS A 49 -9.399 -1.629 -2.137 1.00 41.44 C ATOM 194 CD LYS A 49 -9.703 -0.161 -1.952 1.00 38.61 C ATOM 195 CE LYS A 49 -11.182 0.066 -1.704 1.00 38.55 C ATOM 196 NZ LYS A 49 -11.638 1.375 -2.241 1.00 46.62 N ATOM 197 HZ1 LYS A 49 -11.108 2.141 -1.779 1.00 0.00 H ATOM 198 HZ2 LYS A 49 -11.470 1.405 -3.267 1.00 0.00 H ATOM 199 HZ3 LYS A 49 -12.654 1.491 -2.051 1.00 0.00 H ATOM 200 H LYS A 49 -5.822 -3.108 -3.670 1.00 0.00 H ATOM 201 N ASN A 50 -9.199 -5.074 -2.756 1.00 38.12 N ATOM 202 CA ASN A 50 -10.128 -5.873 -3.549 1.00 48.08 C ATOM 203 C ASN A 50 -11.201 -5.035 -4.234 1.00 48.69 C ATOM 204 O ASN A 50 -11.823 -4.171 -3.617 1.00 55.02 O ATOM 205 CB ASN A 50 -10.795 -6.929 -2.670 1.00 53.56 C ATOM 206 CG ASN A 50 -9.946 -8.171 -2.513 1.00 56.12 C ATOM 207 OD1 ASN A 50 -10.299 -9.243 -3.004 1.00 57.97 O ATOM 208 ND2 ASN A 50 -8.812 -8.032 -1.837 1.00 52.54 N ATOM 209 HD22 ASN A 50 -8.554 -7.106 -1.439 1.00 0.00 H ATOM 210 HD21 ASN A 50 -8.182 -8.849 -1.705 1.00 0.00 H ATOM 211 H ASN A 50 -9.101 -5.267 -1.739 1.00 0.00 H ATOM 212 N ASP A 51 -11.408 -5.300 -5.520 1.00 53.55 N ATOM 213 CA ASP A 51 -12.467 -4.654 -6.284 1.00 59.71 C ATOM 214 C ASP A 51 -12.649 -5.378 -7.614 1.00 64.60 C ATOM 215 O ASP A 51 -11.937 -5.107 -8.580 1.00 62.89 O ATOM 216 CB ASP A 51 -12.148 -3.174 -6.521 1.00 57.82 C ATOM 217 CG ASP A 51 -13.362 -2.380 -6.964 1.00 59.97 C ATOM 218 OD1 ASP A 51 -14.425 -2.994 -7.196 1.00 63.76 O ATOM 219 OD2 ASP A 51 -13.254 -1.142 -7.085 1.00 59.35 O ATOM 220 H ASP A 51 -10.794 -5.991 -5.996 1.00 0.00 H ATOM 221 N LYS A 52 -13.602 -6.305 -7.656 1.00 69.81 N ATOM 222 CA LYS A 52 -13.853 -7.086 -8.863 1.00 72.55 C ATOM 223 C LYS A 52 -14.357 -6.207 -10.005 1.00 75.52 C ATOM 224 O LYS A 52 -14.323 -6.612 -11.167 1.00 75.48 O ATOM 225 CB LYS A 52 -14.862 -8.201 -8.579 1.00 78.51 C ATOM 226 CG LYS A 52 -14.392 -9.219 -7.551 1.00 81.80 C ATOM 227 CD LYS A 52 -15.368 -10.380 -7.444 1.00 86.04 C ATOM 228 CE LYS A 52 -14.943 -11.377 -6.377 1.00 86.24 C ATOM 229 NZ LYS A 52 -15.880 -12.532 -6.292 1.00 89.44 N ATOM 230 HZ1 LYS A 52 -16.832 -12.187 -6.056 1.00 0.00 H ATOM 231 HZ2 LYS A 52 -15.905 -13.025 -7.208 1.00 0.00 H ATOM 232 HZ3 LYS A 52 -15.554 -13.187 -5.553 1.00 0.00 H ATOM 233 H LYS A 52 -14.181 -6.477 -6.810 1.00 0.00 H ATOM 234 N SER A 53 -14.830 -5.009 -9.669 1.00 76.31 N ATOM 235 CA SER A 53 -15.263 -4.046 -10.674 1.00 81.09 C ATOM 236 C SER A 53 -14.114 -3.715 -11.615 1.00 81.05 C ATOM 237 O SER A 53 -14.246 -3.810 -12.835 1.00 82.72 O ATOM 238 CB SER A 53 -15.781 -2.767 -10.011 1.00 82.95 C ATOM 239 OG SER A 53 -16.194 -1.820 -10.981 1.00 86.88 O ATOM 240 HG SER A 53 -16.920 -2.208 -11.531 1.00 0.00 H ATOM 241 H SER A 53 -14.892 -4.753 -8.663 1.00 0.00 H ATOM 242 N LYS A 54 -12.985 -3.329 -11.030 1.00 76.73 N ATOM 243 CA LYS A 54 -11.789 -3.011 -11.795 1.00 73.73 C ATOM 244 C LYS A 54 -10.958 -4.265 -12.027 1.00 68.60 C ATOM 245 O LYS A 54 -10.983 -5.193 -11.218 1.00 66.70 O ATOM 246 CB LYS A 54 -10.954 -1.954 -11.069 1.00 76.87 C ATOM 247 CG LYS A 54 -11.714 -0.676 -10.762 1.00 81.93 C ATOM 248 CD LYS A 54 -10.824 0.357 -10.091 1.00 82.44 C ATOM 249 CE LYS A 54 -11.551 1.681 -9.917 1.00 87.92 C ATOM 250 NZ LYS A 54 -10.710 2.700 -9.230 1.00 88.09 N ATOM 251 HZ1 LYS A 54 -10.445 2.350 -8.287 1.00 0.00 H ATOM 252 HZ2 LYS A 54 -9.851 2.874 -9.790 1.00 0.00 H ATOM 253 HZ3 LYS A 54 -11.248 3.585 -9.134 1.00 0.00 H ATOM 254 H LYS A 54 -12.955 -3.252 -9.993 1.00 0.00 H ATOM 255 N THR A 55 -10.236 -4.291 -13.142 1.00 62.79 N ATOM 256 CA THR A 55 -9.299 -5.372 -13.425 1.00 54.64 C ATOM 257 C THR A 55 -8.300 -5.510 -12.274 1.00 45.05 C ATOM 258 O THR A 55 -7.966 -4.529 -11.610 1.00 46.31 O ATOM 259 CB THR A 55 -8.552 -5.136 -14.755 1.00 53.93 C ATOM 260 OG1 THR A 55 -7.489 -6.087 -14.888 1.00 55.98 O ATOM 261 CG2 THR A 55 -7.979 -3.728 -14.821 1.00 62.17 C ATOM 262 HG1 THR A 55 -6.857 -5.982 -14.133 1.00 0.00 H ATOM 263 H THR A 55 -10.342 -3.520 -13.832 1.00 0.00 H ATOM 264 N TRP A 56 -7.834 -6.733 -12.045 1.00 40.78 N ATOM 265 CA TRP A 56 -7.065 -7.065 -10.843 1.00 36.77 C ATOM 266 C TRP A 56 -5.809 -6.214 -10.659 1.00 43.49 C ATOM 267 O TRP A 56 -5.553 -5.706 -9.564 1.00 31.72 O ATOM 268 CB TRP A 56 -6.672 -8.546 -10.874 1.00 40.59 C ATOM 269 CG TRP A 56 -6.049 -9.038 -9.598 1.00 32.44 C ATOM 270 CD1 TRP A 56 -6.701 -9.536 -8.507 1.00 36.02 C ATOM 271 CD2 TRP A 56 -4.652 -9.088 -9.286 1.00 30.73 C ATOM 272 NE1 TRP A 56 -5.796 -9.889 -7.534 1.00 31.21 N ATOM 273 CE2 TRP A 56 -4.532 -9.623 -7.988 1.00 29.98 C ATOM 274 CE3 TRP A 56 -3.492 -8.730 -9.978 1.00 32.85 C ATOM 275 CZ2 TRP A 56 -3.298 -9.811 -7.370 1.00 27.34 C ATOM 276 CZ3 TRP A 56 -2.270 -8.916 -9.363 1.00 30.62 C ATOM 277 CH2 TRP A 56 -2.181 -9.447 -8.071 1.00 28.07 C ATOM 278 HE1 TRP A 56 -6.033 -10.292 -6.605 1.00 0.00 H ATOM 279 H TRP A 56 -8.022 -7.481 -12.743 1.00 0.00 H ATOM 280 N GLN A 57 -5.038 -6.056 -11.731 1.00 36.69 N ATOM 281 CA GLN A 57 -3.770 -5.333 -11.686 1.00 30.58 C ATOM 282 C GLN A 57 -3.951 -3.885 -11.242 1.00 29.45 C ATOM 283 O GLN A 57 -3.050 -3.282 -10.658 1.00 40.41 O ATOM 284 CB GLN A 57 -3.089 -5.355 -13.060 1.00 45.05 C ATOM 285 CG GLN A 57 -2.684 -6.737 -13.559 1.00 46.67 C ATOM 286 CD GLN A 57 -3.812 -7.465 -14.266 1.00 41.86 C ATOM 287 OE1 GLN A 57 -4.942 -7.505 -13.782 1.00 44.95 O ATOM 288 NE2 GLN A 57 -3.509 -8.041 -15.424 1.00 47.15 N ATOM 289 HE22 GLN A 57 -2.540 -7.982 -15.796 1.00 0.00 H ATOM 290 HE21 GLN A 57 -4.241 -8.551 -15.958 1.00 0.00 H ATOM 291 H GLN A 57 -5.350 -6.463 -12.636 1.00 0.00 H ATOM 292 N ALA A 58 -5.119 -3.324 -11.535 1.00 29.59 N ATOM 293 CA ALA A 58 -5.395 -1.923 -11.233 1.00 31.91 C ATOM 294 C ALA A 58 -5.494 -1.649 -9.734 1.00 32.70 C ATOM 295 O ALA A 58 -5.481 -0.494 -9.310 1.00 34.90 O ATOM 296 CB ALA A 58 -6.678 -1.489 -11.921 1.00 35.12 C ATOM 297 H ALA A 58 -5.856 -3.898 -11.992 1.00 0.00 H ATOM 298 N ASN A 59 -5.585 -2.707 -8.937 1.00 27.09 N ATOM 299 CA ASN A 59 -5.837 -2.574 -7.504 1.00 26.06 C ATOM 300 C ASN A 59 -4.574 -2.659 -6.650 1.00 24.61 C ATOM 301 O ASN A 59 -4.639 -2.593 -5.423 1.00 25.38 O ATOM 302 CB ASN A 59 -6.830 -3.646 -7.070 1.00 30.49 C ATOM 303 CG ASN A 59 -8.200 -3.457 -7.694 1.00 40.67 C ATOM 304 OD1 ASN A 59 -8.654 -2.330 -7.887 1.00 45.30 O ATOM 305 ND2 ASN A 59 -8.861 -4.562 -8.021 1.00 36.62 N ATOM 306 HD22 ASN A 59 -8.438 -5.494 -7.839 1.00 0.00 H ATOM 307 HD21 ASN A 59 -9.802 -4.495 -8.459 1.00 0.00 H ATOM 308 H ASN A 59 -5.474 -3.657 -9.344 1.00 0.00 H ATOM 309 N LEU A 60 -3.429 -2.776 -7.313 1.00 22.75 N ATOM 310 CA LEU A 60 -2.140 -2.946 -6.651 1.00 23.58 C ATOM 311 C LEU A 60 -1.388 -1.616 -6.510 1.00 18.62 C ATOM 312 O LEU A 60 -1.329 -0.839 -7.458 1.00 23.15 O ATOM 313 CB LEU A 60 -1.310 -3.946 -7.453 1.00 29.24 C ATOM 314 CG LEU A 60 0.061 -4.400 -6.971 1.00 37.88 C ATOM 315 CD1 LEU A 60 -0.036 -5.180 -5.669 1.00 35.88 C ATOM 316 CD2 LEU A 60 0.679 -5.249 -8.068 1.00 33.31 C ATOM 317 H LEU A 60 -3.452 -2.745 -8.352 1.00 0.00 H ATOM 318 N ARG A 61 -0.819 -1.360 -5.330 1.00 18.38 N ATOM 319 CA ARG A 61 0.010 -0.172 -5.109 1.00 21.59 C ATOM 320 C ARG A 61 1.303 -0.497 -4.371 1.00 19.95 C ATOM 321 O ARG A 61 1.284 -1.122 -3.310 1.00 25.40 O ATOM 322 CB ARG A 61 -0.748 0.890 -4.309 1.00 21.79 C ATOM 323 CG ARG A 61 -2.065 1.341 -4.901 1.00 22.87 C ATOM 324 CD ARG A 61 -1.881 2.202 -6.141 1.00 25.70 C ATOM 325 NE ARG A 61 -3.159 2.720 -6.617 1.00 28.50 N ATOM 326 CZ ARG A 61 -4.030 2.022 -7.341 1.00 25.68 C ATOM 327 NH1 ARG A 61 -3.766 0.764 -7.675 1.00 25.47 N ATOM 328 NH2 ARG A 61 -5.172 2.577 -7.723 1.00 34.48 N ATOM 329 HE ARG A 61 -3.406 3.701 -6.374 1.00 0.00 H ATOM 330 HH12 ARG A 61 -4.450 0.222 -8.241 1.00 0.00 H ATOM 331 HH11 ARG A 61 -2.876 0.321 -7.370 1.00 0.00 H ATOM 332 HH22 ARG A 61 -5.852 2.030 -8.289 1.00 0.00 H ATOM 333 HH21 ARG A 61 -5.388 3.559 -7.457 1.00 0.00 H ATOM 334 H ARG A 61 -0.969 -2.024 -4.544 1.00 0.00 H ATOM 335 N LEU A 62 2.424 -0.055 -4.927 1.00 21.87 N ATOM 336 CA LEU A 62 3.704 -0.133 -4.234 1.00 20.29 C ATOM 337 C LEU A 62 3.736 0.867 -3.082 1.00 18.99 C ATOM 338 O LEU A 62 3.505 2.059 -3.288 1.00 23.54 O ATOM 339 CB LEU A 62 4.848 0.137 -5.211 1.00 23.46 C ATOM 340 CG LEU A 62 6.261 0.254 -4.641 1.00 30.79 C ATOM 341 CD1 LEU A 62 6.700 -1.052 -4.010 1.00 23.33 C ATOM 342 CD2 LEU A 62 7.230 0.674 -5.731 1.00 29.36 C ATOM 343 H LEU A 62 2.388 0.357 -5.881 1.00 0.00 H ATOM 344 N ILE A 63 4.022 0.388 -1.874 1.00 21.76 N ATOM 345 CA ILE A 63 4.103 1.260 -0.702 1.00 20.96 C ATOM 346 C ILE A 63 5.505 1.840 -0.561 1.00 26.72 C ATOM 347 O ILE A 63 5.703 3.050 -0.686 1.00 27.24 O ATOM 348 CB ILE A 63 3.730 0.510 0.593 1.00 23.59 C ATOM 349 CG1 ILE A 63 2.261 0.087 0.557 1.00 25.46 C ATOM 350 CG2 ILE A 63 3.980 1.383 1.823 1.00 26.74 C ATOM 351 CD1 ILE A 63 1.862 -0.827 1.697 1.00 29.23 C ATOM 352 H ILE A 63 4.192 -0.632 -1.760 1.00 0.00 H ATOM 353 N SER A 64 6.473 0.971 -0.291 1.00 23.30 N ATOM 354 CA SER A 64 7.856 1.397 -0.120 1.00 22.64 C ATOM 355 C SER A 64 8.795 0.202 -0.133 1.00 24.14 C ATOM 356 O SER A 64 8.355 -0.949 -0.162 1.00 21.53 O ATOM 357 CB SER A 64 8.025 2.182 1.183 1.00 30.88 C ATOM 358 OG SER A 64 7.705 1.380 2.306 1.00 33.47 O ATOM 359 HG SER A 64 7.822 1.911 3.133 1.00 0.00 H ATOM 360 H SER A 64 6.238 -0.038 -0.199 1.00 0.00 H ATOM 361 N LYS A 65 10.092 0.491 -0.120 1.00 23.89 N ATOM 362 CA LYS A 65 11.123 -0.534 -0.141 1.00 23.33 C ATOM 363 C LYS A 65 12.092 -0.335 1.018 1.00 22.40 C ATOM 364 O LYS A 65 12.200 0.763 1.569 1.00 24.02 O ATOM 365 CB LYS A 65 11.879 -0.507 -1.472 1.00 24.59 C ATOM 366 CG LYS A 65 10.990 -0.668 -2.695 1.00 23.88 C ATOM 367 CD LYS A 65 11.806 -0.682 -3.975 1.00 30.97 C ATOM 368 CE LYS A 65 10.916 -0.763 -5.200 1.00 30.45 C ATOM 369 NZ LYS A 65 11.706 -0.932 -6.449 1.00 37.81 N ATOM 370 HZ1 LYS A 65 12.347 -0.121 -6.564 1.00 0.00 H ATOM 371 HZ2 LYS A 65 12.261 -1.809 -6.390 1.00 0.00 H ATOM 372 HZ3 LYS A 65 11.060 -0.983 -7.262 1.00 0.00 H ATOM 373 H LYS A 65 10.381 1.490 -0.094 1.00 0.00 H ATOM 374 N PHE A 66 12.793 -1.402 1.381 1.00 22.44 N ATOM 375 CA PHE A 66 13.790 -1.348 2.446 1.00 19.72 C ATOM 376 C PHE A 66 14.841 -2.428 2.222 1.00 24.12 C ATOM 377 O PHE A 66 14.577 -3.429 1.554 1.00 21.89 O ATOM 378 CB PHE A 66 13.135 -1.519 3.818 1.00 20.15 C ATOM 379 CG PHE A 66 12.381 -2.809 3.972 1.00 17.95 C ATOM 380 CD1 PHE A 66 13.030 -3.966 4.378 1.00 17.50 C ATOM 381 CD2 PHE A 66 11.023 -2.867 3.712 1.00 19.08 C ATOM 382 CE1 PHE A 66 12.342 -5.150 4.515 1.00 19.00 C ATOM 383 CE2 PHE A 66 10.329 -4.050 3.846 1.00 20.28 C ATOM 384 CZ PHE A 66 10.988 -5.195 4.250 1.00 20.33 C ATOM 385 H PHE A 66 12.627 -2.304 0.892 1.00 0.00 H ATOM 386 N ASP A 67 16.028 -2.226 2.787 1.00 20.91 N ATOM 387 CA ASP A 67 17.109 -3.192 2.643 1.00 21.39 C ATOM 388 C ASP A 67 17.954 -3.293 3.908 1.00 19.32 C ATOM 389 O ASP A 67 19.085 -3.771 3.857 1.00 19.77 O ATOM 390 CB ASP A 67 17.996 -2.836 1.445 1.00 27.32 C ATOM 391 CG ASP A 67 18.556 -1.422 1.516 1.00 29.60 C ATOM 392 OD1 ASP A 67 18.608 -0.837 2.617 1.00 29.61 O ATOM 393 OD2 ASP A 67 18.951 -0.894 0.455 1.00 43.71 O ATOM 394 H ASP A 67 16.188 -1.361 3.343 1.00 0.00 H ATOM 395 N THR A 68 17.405 -2.829 5.031 1.00 17.18 N ATOM 396 CA THR A 68 18.051 -2.982 6.336 1.00 17.73 C ATOM 397 C THR A 68 17.064 -3.490 7.378 1.00 17.44 C ATOM 398 O THR A 68 15.851 -3.348 7.234 1.00 19.11 O ATOM 399 CB THR A 68 18.652 -1.660 6.866 1.00 19.66 C ATOM 400 OG1 THR A 68 17.603 -0.718 7.116 1.00 22.73 O ATOM 401 CG2 THR A 68 19.654 -1.072 5.888 1.00 23.85 C ATOM 402 HG1 THR A 68 17.112 -0.542 6.275 1.00 0.00 H ATOM 403 H THR A 68 16.487 -2.342 4.978 1.00 0.00 H ATOM 404 N VAL A 69 17.611 -4.073 8.439 1.00 17.32 N ATOM 405 CA VAL A 69 16.826 -4.522 9.580 1.00 19.39 C ATOM 406 C VAL A 69 16.054 -3.360 10.197 1.00 15.42 C ATOM 407 O VAL A 69 14.871 -3.488 10.516 1.00 16.76 O ATOM 408 CB VAL A 69 17.740 -5.169 10.648 1.00 18.82 C ATOM 409 CG1 VAL A 69 16.965 -5.506 11.921 1.00 21.02 C ATOM 410 CG2 VAL A 69 18.416 -6.416 10.086 1.00 20.50 C ATOM 411 H VAL A 69 18.641 -4.214 8.455 1.00 0.00 H ATOM 412 N GLU A 70 16.736 -2.232 10.371 1.00 18.61 N ATOM 413 CA GLU A 70 16.136 -1.058 10.986 1.00 19.43 C ATOM 414 C GLU A 70 14.925 -0.580 10.191 1.00 18.68 C ATOM 415 O GLU A 70 13.870 -0.284 10.751 1.00 17.60 O ATOM 416 CB GLU A 70 17.167 0.069 11.103 1.00 18.16 C ATOM 417 CG GLU A 70 18.210 -0.141 12.195 1.00 24.15 C ATOM 418 CD GLU A 70 19.333 -1.099 11.809 1.00 29.32 C ATOM 419 OE1 GLU A 70 20.171 -1.389 12.686 1.00 28.78 O ATOM 420 OE2 GLU A 70 19.391 -1.558 10.646 1.00 23.31 O ATOM 421 H GLU A 70 17.727 -2.188 10.058 1.00 0.00 H ATOM 422 N ASP A 71 15.070 -0.520 8.876 1.00 18.32 N ATOM 423 CA ASP A 71 13.990 -0.018 8.041 1.00 17.92 C ATOM 424 C ASP A 71 12.838 -1.019 7.944 1.00 18.03 C ATOM 425 O ASP A 71 11.681 -0.615 7.831 1.00 18.26 O ATOM 426 CB ASP A 71 14.527 0.349 6.657 1.00 19.45 C ATOM 427 CG ASP A 71 15.508 1.514 6.710 1.00 30.22 C ATOM 428 OD1 ASP A 71 15.283 2.442 7.516 1.00 30.19 O ATOM 429 OD2 ASP A 71 16.509 1.497 5.961 1.00 34.14 O ATOM 430 H ASP A 71 15.960 -0.833 8.438 1.00 0.00 H ATOM 431 N PHE A 72 13.133 -2.318 8.008 1.00 15.13 N ATOM 432 CA PHE A 72 12.055 -3.296 8.096 1.00 14.43 C ATOM 433 C PHE A 72 11.191 -3.044 9.324 1.00 16.51 C ATOM 434 O PHE A 72 9.971 -2.957 9.235 1.00 16.41 O ATOM 435 CB PHE A 72 12.570 -4.733 8.160 1.00 15.42 C ATOM 436 CG PHE A 72 11.513 -5.708 8.594 1.00 15.03 C ATOM 437 CD1 PHE A 72 10.503 -6.083 7.722 1.00 18.02 C ATOM 438 CD2 PHE A 72 11.504 -6.219 9.880 1.00 14.86 C ATOM 439 CE1 PHE A 72 9.517 -6.961 8.117 1.00 17.90 C ATOM 440 CE2 PHE A 72 10.514 -7.103 10.283 1.00 16.56 C ATOM 441 CZ PHE A 72 9.520 -7.470 9.399 1.00 18.92 C ATOM 442 H PHE A 72 14.125 -2.631 7.995 1.00 0.00 H ATOM 443 N TRP A 73 11.821 -2.946 10.488 1.00 16.51 N ATOM 444 CA TRP A 73 11.051 -2.812 11.710 1.00 15.97 C ATOM 445 C TRP A 73 10.323 -1.471 11.779 1.00 14.11 C ATOM 446 O TRP A 73 9.218 -1.394 12.315 1.00 16.78 O ATOM 447 CB TRP A 73 11.954 -2.995 12.920 1.00 15.58 C ATOM 448 CG TRP A 73 12.367 -4.417 13.138 1.00 14.54 C ATOM 449 CD1 TRP A 73 13.623 -4.932 13.013 1.00 14.80 C ATOM 450 CD2 TRP A 73 11.522 -5.508 13.521 1.00 16.62 C ATOM 451 NE1 TRP A 73 13.615 -6.276 13.302 1.00 19.03 N ATOM 452 CE2 TRP A 73 12.337 -6.653 13.621 1.00 16.62 C ATOM 453 CE3 TRP A 73 10.156 -5.626 13.798 1.00 15.54 C ATOM 454 CZ2 TRP A 73 11.831 -7.902 13.975 1.00 16.13 C ATOM 455 CZ3 TRP A 73 9.655 -6.865 14.152 1.00 18.48 C ATOM 456 CH2 TRP A 73 10.490 -7.986 14.242 1.00 17.33 C ATOM 457 HE1 TRP A 73 14.444 -6.904 13.282 1.00 0.00 H ATOM 458 H TRP A 73 12.860 -2.965 10.524 1.00 0.00 H ATOM 459 N ALA A 74 10.924 -0.420 11.231 1.00 16.41 N ATOM 460 CA ALA A 74 10.265 0.883 11.187 1.00 20.46 C ATOM 461 C ALA A 74 8.949 0.793 10.420 1.00 15.25 C ATOM 462 O ALA A 74 7.930 1.337 10.847 1.00 18.45 O ATOM 463 CB ALA A 74 11.174 1.921 10.556 1.00 19.61 C ATOM 464 H ALA A 74 11.877 -0.527 10.828 1.00 0.00 H ATOM 465 N LEU A 75 8.973 0.091 9.294 1.00 18.17 N ATOM 466 CA LEU A 75 7.781 -0.060 8.474 1.00 17.86 C ATOM 467 C LEU A 75 6.770 -0.986 9.145 1.00 15.69 C ATOM 468 O LEU A 75 5.587 -0.654 9.240 1.00 17.80 O ATOM 469 CB LEU A 75 8.156 -0.588 7.091 1.00 18.66 C ATOM 470 CG LEU A 75 7.009 -0.743 6.088 1.00 23.44 C ATOM 471 CD1 LEU A 75 6.257 0.563 5.878 1.00 22.49 C ATOM 472 CD2 LEU A 75 7.556 -1.259 4.773 1.00 26.43 C ATOM 473 H LEU A 75 9.860 -0.360 8.992 1.00 0.00 H ATOM 474 N TYR A 76 7.236 -2.137 9.623 1.00 16.19 N ATOM 475 CA TYR A 76 6.357 -3.085 10.300 1.00 16.49 C ATOM 476 C TYR A 76 5.661 -2.454 11.507 1.00 14.69 C ATOM 477 O TYR A 76 4.449 -2.591 11.672 1.00 17.68 O ATOM 478 CB TYR A 76 7.128 -4.332 10.752 1.00 16.56 C ATOM 479 CG TYR A 76 6.235 -5.298 11.495 1.00 16.78 C ATOM 480 CD1 TYR A 76 5.393 -6.159 10.805 1.00 18.40 C ATOM 481 CD2 TYR A 76 6.209 -5.330 12.883 1.00 16.90 C ATOM 482 CE1 TYR A 76 4.559 -7.027 11.473 1.00 19.31 C ATOM 483 CE2 TYR A 76 5.374 -6.196 13.562 1.00 19.51 C ATOM 484 CZ TYR A 76 4.551 -7.043 12.850 1.00 21.89 C ATOM 485 OH TYR A 76 3.715 -7.908 13.513 1.00 21.44 O ATOM 486 HH TYR A 76 3.200 -8.437 12.854 1.00 0.00 H ATOM 487 H TYR A 76 8.245 -2.365 9.512 1.00 0.00 H ATOM 488 N ASN A 77 6.425 -1.764 12.351 1.00 15.95 N ATOM 489 CA ASN A 77 5.856 -1.161 13.553 1.00 18.32 C ATOM 490 C ASN A 77 4.888 -0.028 13.222 1.00 19.60 C ATOM 491 O ASN A 77 3.906 0.184 13.934 1.00 20.15 O ATOM 492 CB ASN A 77 6.963 -0.635 14.484 1.00 18.04 C ATOM 493 CG ASN A 77 7.747 -1.749 15.174 1.00 22.92 C ATOM 494 OD1 ASN A 77 8.949 -1.615 15.427 1.00 21.85 O ATOM 495 ND2 ASN A 77 7.071 -2.844 15.487 1.00 16.55 N ATOM 496 HD22 ASN A 77 6.060 -2.915 15.255 1.00 0.00 H ATOM 497 HD21 ASN A 77 7.552 -3.633 15.964 1.00 0.00 H ATOM 498 H ASN A 77 7.440 -1.653 12.152 1.00 0.00 H ATOM 499 N HIS A 78 5.162 0.692 12.138 1.00 20.09 N ATOM 500 CA HIS A 78 4.296 1.783 11.709 1.00 20.43 C ATOM 501 C HIS A 78 2.929 1.256 11.282 1.00 20.74 C ATOM 502 O HIS A 78 1.891 1.824 11.625 1.00 22.22 O ATOM 503 CB HIS A 78 4.951 2.558 10.563 1.00 22.20 C ATOM 504 CG HIS A 78 4.018 3.486 9.847 1.00 20.67 C ATOM 505 ND1 HIS A 78 3.532 4.642 10.419 1.00 26.91 N ATOM 506 CD2 HIS A 78 3.485 3.428 8.604 1.00 21.90 C ATOM 507 CE1 HIS A 78 2.738 5.256 9.559 1.00 28.94 C ATOM 508 NE2 HIS A 78 2.692 4.540 8.450 1.00 25.28 N ATOM 509 H HIS A 78 6.014 0.471 11.584 1.00 0.00 H ATOM 510 N ILE A 79 2.932 0.161 10.535 1.00 35.08 N ATOM 511 CA ILE A 79 1.685 -0.429 10.070 1.00 35.98 C ATOM 512 C ILE A 79 0.901 -1.016 11.243 1.00 38.65 C ATOM 513 O ILE A 79 -0.318 -0.871 11.311 1.00 40.31 O ATOM 514 CB ILE A 79 1.953 -1.503 9.001 1.00 35.04 C ATOM 515 CG1 ILE A 79 2.491 -0.824 7.737 1.00 33.01 C ATOM 516 CG2 ILE A 79 0.681 -2.285 8.679 1.00 36.46 C ATOM 517 CD1 ILE A 79 3.051 -1.774 6.698 1.00 32.39 C ATOM 518 H ILE A 79 3.837 -0.282 10.278 1.00 0.00 H ATOM 519 N GLN A 80 1.594 -1.661 12.177 1.00 39.50 N ATOM 520 CA GLN A 80 0.921 -2.224 13.343 1.00 42.47 C ATOM 521 C GLN A 80 0.317 -1.125 14.211 1.00 44.26 C ATOM 522 O GLN A 80 -0.742 -1.310 14.809 1.00 47.12 O ATOM 523 CB GLN A 80 1.886 -3.072 14.179 1.00 43.27 C ATOM 524 CG GLN A 80 2.339 -4.367 13.513 1.00 42.77 C ATOM 525 CD GLN A 80 1.182 -5.197 12.985 1.00 43.97 C ATOM 526 OE1 GLN A 80 1.081 -5.444 11.783 1.00 51.71 O ATOM 527 NE2 GLN A 80 0.304 -5.631 13.881 1.00 46.96 N ATOM 528 HE22 GLN A 80 0.429 -5.398 14.887 1.00 0.00 H ATOM 529 HE21 GLN A 80 -0.509 -6.204 13.577 1.00 0.00 H ATOM 530 H GLN A 80 2.624 -1.765 12.076 1.00 0.00 H ATOM 531 N LEU A 81 0.984 0.023 14.267 1.00 43.00 N ATOM 532 CA LEU A 81 0.582 1.096 15.171 1.00 45.09 C ATOM 533 C LEU A 81 -0.501 2.005 14.589 1.00 45.71 C ATOM 534 O LEU A 81 -1.464 2.345 15.277 1.00 48.90 O ATOM 535 CB LEU A 81 1.799 1.941 15.554 1.00 43.98 C ATOM 536 CG LEU A 81 1.583 2.942 16.691 1.00 46.66 C ATOM 537 CD1 LEU A 81 1.412 2.222 18.021 1.00 49.81 C ATOM 538 CD2 LEU A 81 2.735 3.933 16.757 1.00 45.29 C ATOM 539 H LEU A 81 1.812 0.160 13.652 1.00 0.00 H ATOM 540 N SER A 82 -0.343 2.393 13.326 1.00 43.12 N ATOM 541 CA SER A 82 -1.155 3.462 12.747 1.00 44.16 C ATOM 542 C SER A 82 -2.224 2.977 11.769 1.00 47.12 C ATOM 543 O SER A 82 -2.968 3.790 11.216 1.00 45.47 O ATOM 544 CB SER A 82 -0.249 4.469 12.035 1.00 46.45 C ATOM 545 OG SER A 82 0.311 3.908 10.860 1.00 43.75 O ATOM 546 HG SER A 82 0.848 3.112 11.100 1.00 0.00 H ATOM 547 H SER A 82 0.375 1.925 12.737 1.00 0.00 H ATOM 548 N SER A 83 -2.304 1.666 11.554 1.00 43.51 N ATOM 549 CA SER A 83 -3.250 1.116 10.586 1.00 46.45 C ATOM 550 C SER A 83 -4.104 0.002 11.180 1.00 48.36 C ATOM 551 O SER A 83 -3.768 -0.573 12.216 1.00 47.70 O ATOM 552 CB SER A 83 -2.507 0.594 9.356 1.00 43.31 C ATOM 553 OG SER A 83 -3.358 0.574 8.221 1.00 44.08 O ATOM 554 HG SER A 83 -2.855 0.233 7.439 1.00 0.00 H ATOM 555 H SER A 83 -1.683 1.022 12.084 1.00 0.00 H ATOM 556 N ASN A 84 -5.212 -0.287 10.502 1.00 48.52 N ATOM 557 CA ASN A 84 -6.131 -1.346 10.899 1.00 55.19 C ATOM 558 C ASN A 84 -6.308 -2.337 9.758 1.00 55.69 C ATOM 559 O ASN A 84 -6.323 -1.941 8.592 1.00 49.99 O ATOM 560 CB ASN A 84 -7.488 -0.761 11.294 1.00 60.83 C ATOM 561 CG ASN A 84 -7.367 0.388 12.268 1.00 63.88 C ATOM 562 OD1 ASN A 84 -7.321 0.190 13.483 1.00 66.32 O ATOM 563 ND2 ASN A 84 -7.322 1.602 11.740 1.00 62.90 N ATOM 564 HD22 ASN A 84 -7.364 1.722 10.708 1.00 0.00 H ATOM 565 HD21 ASN A 84 -7.245 2.435 12.358 1.00 0.00 H ATOM 566 H ASN A 84 -5.432 0.268 9.650 1.00 0.00 H ATOM 567 N LEU A 85 -6.437 -3.620 10.081 1.00 52.17 N ATOM 568 CA LEU A 85 -6.700 -4.616 9.052 1.00 50.68 C ATOM 569 C LEU A 85 -8.094 -4.376 8.494 1.00 53.98 C ATOM 570 O LEU A 85 -8.976 -3.891 9.202 1.00 56.29 O ATOM 571 CB LEU A 85 -6.568 -6.044 9.600 1.00 57.07 C ATOM 572 CG LEU A 85 -7.602 -6.580 10.598 1.00 62.76 C ATOM 573 CD1 LEU A 85 -8.865 -7.115 9.917 1.00 62.51 C ATOM 574 CD2 LEU A 85 -6.969 -7.673 11.444 1.00 60.44 C ATOM 575 H LEU A 85 -6.350 -3.914 11.075 1.00 0.00 H ATOM 576 N MET A 86 -8.285 -4.707 7.222 1.00 51.86 N ATOM 577 CA MET A 86 -9.571 -4.513 6.565 1.00 54.06 C ATOM 578 C MET A 86 -9.806 -5.632 5.552 1.00 54.19 C ATOM 579 O MET A 86 -8.934 -5.906 4.728 1.00 51.44 O ATOM 580 CB MET A 86 -9.619 -3.149 5.871 1.00 52.62 C ATOM 581 CG MET A 86 -11.014 -2.708 5.454 1.00 57.04 C ATOM 582 SD MET A 86 -12.072 -2.289 6.856 1.00 97.24 S ATOM 583 CE MET A 86 -11.275 -0.802 7.461 1.00 74.23 C ATOM 584 H MET A 86 -7.496 -5.115 6.681 1.00 0.00 H ATOM 585 N PRO A 87 -10.972 -6.298 5.624 1.00 57.82 N ATOM 586 CA PRO A 87 -11.286 -7.316 4.615 1.00 65.51 C ATOM 587 C PRO A 87 -11.154 -6.788 3.191 1.00 57.63 C ATOM 588 O PRO A 87 -11.662 -5.710 2.882 1.00 56.34 O ATOM 589 CB PRO A 87 -12.737 -7.683 4.933 1.00 74.62 C ATOM 590 CG PRO A 87 -12.866 -7.439 6.389 1.00 78.26 C ATOM 591 CD PRO A 87 -11.991 -6.252 6.689 1.00 71.47 C ATOM 592 N GLY A 88 -10.463 -7.541 2.342 1.00 62.31 N ATOM 593 CA GLY A 88 -10.245 -7.140 0.965 1.00 64.43 C ATOM 594 C GLY A 88 -8.993 -6.303 0.776 1.00 63.62 C ATOM 595 O GLY A 88 -8.714 -5.855 -0.337 1.00 58.41 O ATOM 596 H GLY A 88 -10.067 -8.444 2.674 1.00 0.00 H ATOM 597 N CYS A 89 -8.238 -6.093 1.855 1.00 53.63 N ATOM 598 CA CYS A 89 -7.007 -5.304 1.796 1.00 49.13 C ATOM 599 C CYS A 89 -5.781 -6.163 2.094 1.00 48.68 C ATOM 600 O CYS A 89 -5.501 -6.481 3.251 1.00 43.84 O ATOM 601 CB CYS A 89 -7.067 -4.130 2.774 1.00 52.95 C ATOM 602 SG CYS A 89 -8.305 -2.883 2.357 1.00 58.07 S ATOM 603 H CYS A 89 -8.533 -6.502 2.765 1.00 0.00 H ATOM 604 N ASP A 90 -5.045 -6.520 1.043 1.00 36.33 N ATOM 605 CA ASP A 90 -3.914 -7.434 1.164 1.00 30.14 C ATOM 606 C ASP A 90 -2.569 -6.715 1.189 1.00 26.15 C ATOM 607 O ASP A 90 -2.417 -5.632 0.624 1.00 27.39 O ATOM 608 CB ASP A 90 -3.934 -8.438 0.012 1.00 29.19 C ATOM 609 CG ASP A 90 -5.267 -9.133 -0.121 1.00 31.27 C ATOM 610 OD1 ASP A 90 -6.122 -8.943 0.769 1.00 32.70 O ATOM 611 OD2 ASP A 90 -5.458 -9.874 -1.106 1.00 34.78 O ATOM 612 H ASP A 90 -5.284 -6.135 0.107 1.00 0.00 H ATOM 613 N TYR A 91 -1.603 -7.326 1.867 1.00 22.33 N ATOM 614 CA TYR A 91 -0.217 -6.883 1.821 1.00 20.74 C ATOM 615 C TYR A 91 0.648 -7.959 1.183 1.00 19.53 C ATOM 616 O TYR A 91 0.428 -9.151 1.407 1.00 20.24 O ATOM 617 CB TYR A 91 0.315 -6.564 3.222 1.00 21.76 C ATOM 618 CG TYR A 91 -0.151 -5.243 3.792 1.00 24.32 C ATOM 619 CD1 TYR A 91 0.536 -4.071 3.519 1.00 26.75 C ATOM 620 CD2 TYR A 91 -1.268 -5.170 4.610 1.00 38.76 C ATOM 621 CE1 TYR A 91 0.126 -2.862 4.041 1.00 28.22 C ATOM 622 CE2 TYR A 91 -1.690 -3.962 5.139 1.00 47.11 C ATOM 623 CZ TYR A 91 -0.989 -2.809 4.848 1.00 32.84 C ATOM 624 OH TYR A 91 -1.398 -1.600 5.372 1.00 40.34 O ATOM 625 HH TYR A 91 -2.319 -1.404 5.066 1.00 0.00 H ATOM 626 H TYR A 91 -1.846 -8.151 2.452 1.00 0.00 H ATOM 627 N SER A 92 1.628 -7.538 0.389 1.00 17.71 N ATOM 628 CA SER A 92 2.603 -8.454 -0.194 1.00 18.04 C ATOM 629 C SER A 92 4.012 -7.918 0.019 1.00 20.83 C ATOM 630 O SER A 92 4.255 -6.730 -0.178 1.00 22.67 O ATOM 631 CB SER A 92 2.349 -8.650 -1.696 1.00 22.17 C ATOM 632 OG SER A 92 1.000 -8.997 -1.967 1.00 24.76 O ATOM 633 HG SER A 92 0.404 -8.276 -1.644 1.00 0.00 H ATOM 634 H SER A 92 1.702 -6.523 0.177 1.00 0.00 H ATOM 635 N LEU A 93 4.934 -8.786 0.427 1.00 16.99 N ATOM 636 CA LEU A 93 6.345 -8.427 0.487 1.00 16.07 C ATOM 637 C LEU A 93 7.101 -9.267 -0.520 1.00 16.55 C ATOM 638 O LEU A 93 7.160 -10.489 -0.387 1.00 17.53 O ATOM 639 CB LEU A 93 6.928 -8.632 1.890 1.00 16.54 C ATOM 640 CG LEU A 93 8.310 -7.993 2.057 1.00 19.87 C ATOM 641 CD1 LEU A 93 8.193 -6.490 2.250 1.00 22.43 C ATOM 642 CD2 LEU A 93 9.087 -8.620 3.206 1.00 20.60 C ATOM 643 H LEU A 93 4.641 -9.743 0.710 1.00 0.00 H ATOM 644 N PHE A 94 7.659 -8.615 -1.536 1.00 17.78 N ATOM 645 CA PHE A 94 8.390 -9.310 -2.585 1.00 16.68 C ATOM 646 C PHE A 94 9.771 -8.722 -2.775 1.00 16.85 C ATOM 647 O PHE A 94 10.015 -7.557 -2.461 1.00 18.91 O ATOM 648 CB PHE A 94 7.607 -9.266 -3.902 1.00 18.02 C ATOM 649 CG PHE A 94 6.589 -10.359 -4.022 1.00 19.39 C ATOM 650 CD1 PHE A 94 5.482 -10.379 -3.196 1.00 19.20 C ATOM 651 CD2 PHE A 94 6.752 -11.380 -4.944 1.00 21.30 C ATOM 652 CE1 PHE A 94 4.551 -11.392 -3.281 1.00 19.60 C ATOM 653 CE2 PHE A 94 5.821 -12.394 -5.038 1.00 21.42 C ATOM 654 CZ PHE A 94 4.718 -12.401 -4.209 1.00 21.51 C ATOM 655 H PHE A 94 7.570 -7.580 -1.582 1.00 0.00 H ATOM 656 N LYS A 95 10.677 -9.545 -3.285 1.00 16.99 N ATOM 657 CA LYS A 95 12.015 -9.089 -3.602 1.00 18.02 C ATOM 658 C LYS A 95 11.929 -7.969 -4.623 1.00 20.81 C ATOM 659 O LYS A 95 11.070 -7.985 -5.507 1.00 21.38 O ATOM 660 CB LYS A 95 12.873 -10.238 -4.131 1.00 22.06 C ATOM 661 CG LYS A 95 13.191 -11.285 -3.080 1.00 22.23 C ATOM 662 CD LYS A 95 14.037 -12.415 -3.641 1.00 24.32 C ATOM 663 CE LYS A 95 14.383 -13.424 -2.562 1.00 30.58 C ATOM 664 NZ LYS A 95 15.039 -14.634 -3.125 1.00 29.21 N ATOM 665 HZ1 LYS A 95 14.398 -15.090 -3.805 1.00 0.00 H ATOM 666 HZ2 LYS A 95 15.918 -14.358 -3.607 1.00 0.00 H ATOM 667 HZ3 LYS A 95 15.259 -15.298 -2.355 1.00 0.00 H ATOM 668 H LYS A 95 10.422 -10.538 -3.461 1.00 0.00 H ATOM 669 N ASP A 96 12.816 -6.995 -4.469 1.00 20.68 N ATOM 670 CA ASP A 96 12.914 -5.856 -5.369 1.00 22.75 C ATOM 671 C ASP A 96 12.940 -6.316 -6.823 1.00 31.59 C ATOM 672 O ASP A 96 13.757 -7.159 -7.201 1.00 27.26 O ATOM 673 CB ASP A 96 14.173 -5.051 -5.036 1.00 24.87 C ATOM 674 CG ASP A 96 14.208 -3.700 -5.716 1.00 34.81 C ATOM 675 OD1 ASP A 96 13.137 -3.192 -6.104 1.00 35.59 O ATOM 676 OD2 ASP A 96 15.316 -3.141 -5.847 1.00 35.52 O ATOM 677 H ASP A 96 13.474 -7.048 -3.665 1.00 0.00 H ATOM 678 N GLY A 97 12.026 -5.776 -7.624 1.00 30.09 N ATOM 679 CA GLY A 97 11.971 -6.081 -9.042 1.00 31.57 C ATOM 680 C GLY A 97 10.958 -7.150 -9.408 1.00 28.28 C ATOM 681 O GLY A 97 10.703 -7.370 -10.592 1.00 30.24 O ATOM 682 H GLY A 97 11.330 -5.116 -7.223 1.00 0.00 H ATOM 683 N ILE A 98 10.390 -7.817 -8.405 1.00 23.90 N ATOM 684 CA ILE A 98 9.348 -8.818 -8.632 1.00 24.88 C ATOM 685 C ILE A 98 7.995 -8.267 -8.203 1.00 21.67 C ATOM 686 O ILE A 98 7.757 -8.025 -7.020 1.00 23.46 O ATOM 687 CB ILE A 98 9.608 -10.133 -7.861 1.00 21.05 C ATOM 688 CG1 ILE A 98 11.007 -10.673 -8.169 1.00 22.37 C ATOM 689 CG2 ILE A 98 8.537 -11.164 -8.218 1.00 24.43 C ATOM 690 CD1 ILE A 98 11.366 -11.942 -7.407 1.00 25.40 C ATOM 691 H ILE A 98 10.697 -7.620 -7.431 1.00 0.00 H ATOM 692 N GLU A 99 7.107 -8.061 -9.169 1.00 23.95 N ATOM 693 CA GLU A 99 5.762 -7.617 -8.842 1.00 25.14 C ATOM 694 C GLU A 99 4.967 -8.800 -8.291 1.00 26.11 C ATOM 695 O GLU A 99 5.159 -9.940 -8.725 1.00 24.17 O ATOM 696 CB GLU A 99 5.082 -7.004 -10.065 1.00 28.23 C ATOM 697 CG GLU A 99 5.775 -5.739 -10.556 1.00 33.22 C ATOM 698 CD GLU A 99 5.032 -5.050 -11.686 1.00 45.01 C ATOM 699 OE1 GLU A 99 4.409 -5.750 -12.510 1.00 50.81 O ATOM 700 OE2 GLU A 99 5.072 -3.804 -11.745 1.00 57.23 O ATOM 701 H GLU A 99 7.375 -8.218 -10.162 1.00 0.00 H ATOM 702 N PRO A 100 4.086 -8.540 -7.312 1.00 23.50 N ATOM 703 CA PRO A 100 3.380 -9.615 -6.612 1.00 25.31 C ATOM 704 C PRO A 100 2.175 -10.124 -7.394 1.00 25.01 C ATOM 705 O PRO A 100 1.047 -10.115 -6.899 1.00 25.04 O ATOM 706 CB PRO A 100 2.960 -8.945 -5.301 1.00 26.72 C ATOM 707 CG PRO A 100 2.742 -7.530 -5.679 1.00 25.40 C ATOM 708 CD PRO A 100 3.782 -7.221 -6.724 1.00 25.27 C ATOM 709 N MET A 101 2.430 -10.571 -8.619 1.00 25.13 N ATOM 710 CA MET A 101 1.377 -11.067 -9.495 1.00 25.09 C ATOM 711 C MET A 101 1.905 -12.226 -10.342 1.00 26.50 C ATOM 712 O MET A 101 3.100 -12.294 -10.630 1.00 24.33 O ATOM 713 CB MET A 101 0.846 -9.936 -10.384 1.00 33.51 C ATOM 714 CG MET A 101 1.896 -9.283 -11.267 1.00 28.89 C ATOM 715 SD MET A 101 1.268 -7.844 -12.169 1.00 42.28 S ATOM 716 CE MET A 101 1.035 -6.667 -10.845 1.00 48.72 C ATOM 717 H MET A 101 3.411 -10.567 -8.963 1.00 0.00 H ATOM 718 N TRP A 102 1.010 -13.138 -10.719 1.00 24.96 N ATOM 719 CA TRP A 102 1.361 -14.298 -11.546 1.00 27.57 C ATOM 720 C TRP A 102 2.123 -13.907 -12.810 1.00 31.67 C ATOM 721 O TRP A 102 2.990 -14.646 -13.277 1.00 33.77 O ATOM 722 CB TRP A 102 0.105 -15.056 -11.982 1.00 31.33 C ATOM 723 CG TRP A 102 -0.781 -15.532 -10.888 1.00 28.45 C ATOM 724 CD1 TRP A 102 -0.412 -15.935 -9.634 1.00 31.19 C ATOM 725 CD2 TRP A 102 -2.203 -15.660 -10.948 1.00 30.13 C ATOM 726 NE1 TRP A 102 -1.522 -16.308 -8.915 1.00 35.27 N ATOM 727 CE2 TRP A 102 -2.634 -16.149 -9.700 1.00 32.02 C ATOM 728 CE3 TRP A 102 -3.156 -15.408 -11.940 1.00 32.86 C ATOM 729 CZ2 TRP A 102 -3.978 -16.388 -9.417 1.00 34.44 C ATOM 730 CZ3 TRP A 102 -4.487 -15.646 -11.658 1.00 34.56 C ATOM 731 CH2 TRP A 102 -4.886 -16.132 -10.406 1.00 39.06 C ATOM 732 HE1 TRP A 102 -1.519 -16.655 -7.934 1.00 0.00 H ATOM 733 H TRP A 102 0.022 -13.023 -10.415 1.00 0.00 H ATOM 734 N GLU A 103 1.758 -12.754 -13.369 1.00 33.81 N ATOM 735 CA GLU A 103 2.296 -12.279 -14.641 1.00 43.81 C ATOM 736 C GLU A 103 3.803 -12.116 -14.661 1.00 32.80 C ATOM 737 O GLU A 103 4.430 -12.244 -15.715 1.00 35.95 O ATOM 738 CB GLU A 103 1.667 -10.934 -15.004 1.00 36.39 C ATOM 739 CG GLU A 103 0.196 -11.020 -15.240 1.00 51.71 C ATOM 740 CD GLU A 103 -0.626 -10.693 -14.021 1.00 52.09 C ATOM 741 OE1 GLU A 103 -0.546 -11.454 -13.037 1.00 37.36 O ATOM 742 OE2 GLU A 103 -1.357 -9.682 -14.055 1.00 55.72 O ATOM 743 H GLU A 103 1.057 -12.164 -12.876 1.00 0.00 H ATOM 744 N ASP A 104 4.377 -11.802 -13.506 1.00 29.67 N ATOM 745 CA ASP A 104 5.793 -11.486 -13.435 1.00 33.01 C ATOM 746 C ASP A 104 6.633 -12.651 -13.944 1.00 41.56 C ATOM 747 O ASP A 104 6.299 -13.812 -13.723 1.00 31.63 O ATOM 748 CB ASP A 104 6.191 -11.131 -12.002 1.00 28.95 C ATOM 749 CG ASP A 104 7.516 -10.402 -11.935 1.00 35.76 C ATOM 750 OD1 ASP A 104 7.511 -9.163 -11.776 1.00 32.01 O ATOM 751 OD2 ASP A 104 8.564 -11.067 -12.059 1.00 31.07 O ATOM 752 H ASP A 104 3.804 -11.782 -12.638 1.00 0.00 H ATOM 753 N GLU A 105 7.708 -12.315 -14.649 1.00 32.49 N ATOM 754 CA GLU A 105 8.641 -13.299 -15.188 1.00 31.37 C ATOM 755 C GLU A 105 9.067 -14.300 -14.118 1.00 29.42 C ATOM 756 O GLU A 105 9.232 -15.492 -14.389 1.00 31.04 O ATOM 757 CB GLU A 105 9.884 -12.605 -15.761 1.00 41.30 C ATOM 758 CG GLU A 105 9.596 -11.410 -16.664 1.00 46.88 C ATOM 759 CD GLU A 105 9.448 -10.106 -15.895 1.00 47.28 C ATOM 760 OE1 GLU A 105 8.309 -9.603 -15.786 1.00 34.92 O ATOM 761 OE2 GLU A 105 10.470 -9.588 -15.396 1.00 52.68 O ATOM 762 H GLU A 105 7.892 -11.307 -14.824 1.00 0.00 H ATOM 763 N LYS A 106 9.251 -13.800 -12.902 1.00 27.99 N ATOM 764 CA LYS A 106 9.747 -14.622 -11.802 1.00 26.83 C ATOM 765 C LYS A 106 8.651 -15.427 -11.103 1.00 24.97 C ATOM 766 O LYS A 106 8.954 -16.308 -10.302 1.00 26.94 O ATOM 767 CB LYS A 106 10.470 -13.743 -10.780 1.00 29.35 C ATOM 768 CG LYS A 106 11.828 -13.224 -11.241 1.00 35.35 C ATOM 769 CD LYS A 106 12.858 -14.343 -11.325 1.00 51.97 C ATOM 770 CE LYS A 106 14.244 -13.812 -11.664 1.00 58.77 C ATOM 771 NZ LYS A 106 14.789 -12.929 -10.595 1.00 60.84 N ATOM 772 HZ1 LYS A 106 14.155 -12.115 -10.463 1.00 0.00 H ATOM 773 HZ2 LYS A 106 14.857 -13.465 -9.706 1.00 0.00 H ATOM 774 HZ3 LYS A 106 15.733 -12.593 -10.872 1.00 0.00 H ATOM 775 H LYS A 106 9.036 -12.797 -12.729 1.00 0.00 H ATOM 776 N ASN A 107 7.388 -15.136 -11.407 1.00 25.83 N ATOM 777 CA ASN A 107 6.269 -15.874 -10.817 1.00 24.57 C ATOM 778 C ASN A 107 5.534 -16.800 -11.788 1.00 27.52 C ATOM 779 O ASN A 107 4.937 -17.783 -11.360 1.00 27.32 O ATOM 780 CB ASN A 107 5.245 -14.908 -10.218 1.00 23.84 C ATOM 781 CG ASN A 107 5.799 -14.106 -9.054 1.00 28.38 C ATOM 782 OD1 ASN A 107 6.611 -14.598 -8.267 1.00 25.27 O ATOM 783 ND2 ASN A 107 5.347 -12.867 -8.930 1.00 25.67 N ATOM 784 HD22 ASN A 107 4.662 -12.492 -9.617 1.00 0.00 H ATOM 785 HD21 ASN A 107 5.677 -12.269 -8.146 1.00 0.00 H ATOM 786 H ASN A 107 7.191 -14.367 -12.079 1.00 0.00 H ATOM 787 N LYS A 108 5.565 -16.495 -13.082 1.00 26.88 N ATOM 788 CA LYS A 108 4.678 -17.170 -14.035 1.00 29.63 C ATOM 789 C LYS A 108 4.829 -18.696 -14.041 1.00 32.77 C ATOM 790 O LYS A 108 3.847 -19.413 -14.237 1.00 31.99 O ATOM 791 CB LYS A 108 4.900 -16.626 -15.452 1.00 33.06 C ATOM 792 CG LYS A 108 6.304 -16.812 -16.005 1.00 44.90 C ATOM 793 CD LYS A 108 6.347 -16.533 -17.501 1.00 57.97 C ATOM 794 CE LYS A 108 6.255 -15.049 -17.799 1.00 60.51 C ATOM 795 NZ LYS A 108 5.794 -14.775 -19.185 1.00 61.98 N ATOM 796 HZ1 LYS A 108 6.462 -15.197 -19.861 1.00 0.00 H ATOM 797 HZ2 LYS A 108 4.850 -15.189 -19.323 1.00 0.00 H ATOM 798 HZ3 LYS A 108 5.748 -13.747 -19.337 1.00 0.00 H ATOM 799 H LYS A 108 6.227 -15.769 -13.422 1.00 0.00 H ATOM 800 N ARG A 109 6.047 -19.186 -13.827 1.00 25.74 N ATOM 801 CA ARG A 109 6.309 -20.623 -13.795 1.00 36.83 C ATOM 802 C ARG A 109 6.332 -21.154 -12.365 1.00 26.16 C ATOM 803 O ARG A 109 6.719 -22.299 -12.129 1.00 27.96 O ATOM 804 CB ARG A 109 7.639 -20.937 -14.479 1.00 45.25 C ATOM 805 CG ARG A 109 7.663 -20.633 -15.969 1.00 60.04 C ATOM 806 CD ARG A 109 9.074 -20.712 -16.534 1.00 70.57 C ATOM 807 NE ARG A 109 10.005 -19.852 -15.805 1.00 71.70 N ATOM 808 CZ ARG A 109 10.136 -18.543 -16.003 1.00 71.02 C ATOM 809 NH1 ARG A 109 9.396 -17.922 -16.913 1.00 68.05 N ATOM 810 NH2 ARG A 109 11.011 -17.851 -15.287 1.00 71.74 N ATOM 811 HE ARG A 109 10.607 -20.294 -15.081 1.00 0.00 H ATOM 812 HH12 ARG A 109 9.505 -16.898 -17.061 1.00 0.00 H ATOM 813 HH11 ARG A 109 8.707 -18.459 -17.478 1.00 0.00 H ATOM 814 HH22 ARG A 109 11.115 -16.828 -15.440 1.00 0.00 H ATOM 815 HH21 ARG A 109 11.594 -18.331 -14.572 1.00 0.00 H ATOM 816 H ARG A 109 6.837 -18.526 -13.678 1.00 0.00 H ATOM 817 N GLY A 110 5.904 -20.323 -11.421 1.00 29.31 N ATOM 818 CA GLY A 110 6.027 -20.644 -10.010 1.00 27.06 C ATOM 819 C GLY A 110 4.729 -21.058 -9.349 1.00 26.30 C ATOM 820 O GLY A 110 3.808 -21.550 -9.993 1.00 27.56 O ATOM 821 H GLY A 110 5.470 -19.420 -11.699 1.00 0.00 H ATOM 822 N GLY A 111 4.661 -20.854 -8.038 1.00 24.64 N ATOM 823 CA GLY A 111 3.506 -21.266 -7.272 1.00 24.17 C ATOM 824 C GLY A 111 3.653 -20.819 -5.840 1.00 22.69 C ATOM 825 O GLY A 111 4.560 -20.054 -5.523 1.00 22.18 O ATOM 826 H GLY A 111 5.455 -20.389 -7.553 1.00 0.00 H ATOM 827 N ARG A 112 2.769 -21.302 -4.976 1.00 22.44 N ATOM 828 CA ARG A 112 2.745 -20.833 -3.597 1.00 21.51 C ATOM 829 C ARG A 112 2.397 -21.925 -2.597 1.00 21.54 C ATOM 830 O ARG A 112 1.582 -22.805 -2.882 1.00 22.49 O ATOM 831 CB ARG A 112 1.740 -19.686 -3.461 1.00 21.80 C ATOM 832 CG ARG A 112 0.315 -20.116 -3.728 1.00 22.95 C ATOM 833 CD ARG A 112 -0.692 -18.997 -3.544 1.00 23.62 C ATOM 834 NE ARG A 112 -2.019 -19.465 -3.931 1.00 27.20 N ATOM 835 CZ ARG A 112 -3.157 -18.846 -3.643 1.00 27.57 C ATOM 836 NH1 ARG A 112 -3.152 -17.713 -2.953 1.00 28.42 N ATOM 837 NH2 ARG A 112 -4.307 -19.367 -4.048 1.00 29.82 N ATOM 838 HE ARG A 112 -2.077 -20.350 -4.473 1.00 0.00 H ATOM 839 HH12 ARG A 112 -4.049 -17.235 -2.732 1.00 0.00 H ATOM 840 HH11 ARG A 112 -2.251 -17.303 -2.633 1.00 0.00 H ATOM 841 HH22 ARG A 112 -5.202 -18.887 -3.826 1.00 0.00 H ATOM 842 HH21 ARG A 112 -4.314 -20.256 -4.588 1.00 0.00 H ATOM 843 H ARG A 112 2.086 -22.023 -5.287 1.00 0.00 H ATOM 844 N TRP A 113 3.043 -21.863 -1.434 1.00 20.97 N ATOM 845 CA TRP A 113 2.586 -22.580 -0.249 1.00 21.39 C ATOM 846 C TRP A 113 1.500 -21.758 0.406 1.00 21.60 C ATOM 847 O TRP A 113 1.743 -20.612 0.774 1.00 23.57 O ATOM 848 CB TRP A 113 3.727 -22.816 0.745 1.00 21.28 C ATOM 849 CG TRP A 113 4.646 -23.904 0.328 1.00 21.67 C ATOM 850 CD1 TRP A 113 5.917 -23.768 -0.150 1.00 21.48 C ATOM 851 CD2 TRP A 113 4.361 -25.305 0.323 1.00 22.76 C ATOM 852 NE1 TRP A 113 6.443 -25.003 -0.448 1.00 23.08 N ATOM 853 CE2 TRP A 113 5.505 -25.961 -0.167 1.00 23.69 C ATOM 854 CE3 TRP A 113 3.249 -26.067 0.689 1.00 23.89 C ATOM 855 CZ2 TRP A 113 5.571 -27.346 -0.296 1.00 24.50 C ATOM 856 CZ3 TRP A 113 3.315 -27.437 0.557 1.00 25.34 C ATOM 857 CH2 TRP A 113 4.467 -28.063 0.067 1.00 25.60 C ATOM 858 HE1 TRP A 113 7.396 -25.181 -0.825 1.00 0.00 H ATOM 859 H TRP A 113 3.904 -21.283 -1.369 1.00 0.00 H ATOM 860 N LEU A 114 0.319 -22.338 0.565 1.00 22.67 N ATOM 861 CA LEU A 114 -0.837 -21.621 1.090 1.00 23.36 C ATOM 862 C LEU A 114 -1.225 -22.089 2.487 1.00 24.35 C ATOM 863 O LEU A 114 -1.428 -23.283 2.725 1.00 25.44 O ATOM 864 CB LEU A 114 -2.024 -21.786 0.138 1.00 24.57 C ATOM 865 CG LEU A 114 -3.326 -21.090 0.538 1.00 25.89 C ATOM 866 CD1 LEU A 114 -3.142 -19.587 0.597 1.00 27.05 C ATOM 867 CD2 LEU A 114 -4.424 -21.455 -0.443 1.00 29.76 C ATOM 868 H LEU A 114 0.213 -23.340 0.306 1.00 0.00 H ATOM 869 N ILE A 115 -1.310 -21.137 3.410 1.00 24.36 N ATOM 870 CA ILE A 115 -1.847 -21.387 4.740 1.00 25.82 C ATOM 871 C ILE A 115 -3.220 -20.730 4.818 1.00 27.05 C ATOM 872 O ILE A 115 -3.347 -19.519 4.638 1.00 26.63 O ATOM 873 CB ILE A 115 -0.920 -20.845 5.855 1.00 26.51 C ATOM 874 CG1 ILE A 115 0.354 -21.689 5.953 1.00 34.16 C ATOM 875 CG2 ILE A 115 -1.614 -20.875 7.216 1.00 27.59 C ATOM 876 CD1 ILE A 115 1.339 -21.466 4.841 1.00 53.76 C ATOM 877 H ILE A 115 -0.981 -20.179 3.174 1.00 0.00 H ATOM 878 N THR A 116 -4.245 -21.537 5.065 1.00 28.98 N ATOM 879 CA THR A 116 -5.602 -21.029 5.216 1.00 30.78 C ATOM 880 C THR A 116 -5.991 -21.026 6.684 1.00 36.43 C ATOM 881 O THR A 116 -6.000 -22.069 7.337 1.00 37.89 O ATOM 882 CB THR A 116 -6.619 -21.866 4.419 1.00 39.59 C ATOM 883 OG1 THR A 116 -6.253 -21.876 3.034 1.00 41.37 O ATOM 884 CG2 THR A 116 -8.022 -21.287 4.566 1.00 48.97 C ATOM 885 HG1 THR A 116 -6.909 -22.415 2.524 1.00 0.00 H ATOM 886 H THR A 116 -4.075 -22.559 5.153 1.00 0.00 H ATOM 887 N LEU A 117 -6.312 -19.843 7.195 1.00 32.98 N ATOM 888 CA LEU A 117 -6.720 -19.687 8.582 1.00 35.08 C ATOM 889 C LEU A 117 -8.223 -19.848 8.743 1.00 43.10 C ATOM 890 O LEU A 117 -8.991 -19.545 7.827 1.00 38.35 O ATOM 891 CB LEU A 117 -6.309 -18.310 9.114 1.00 34.58 C ATOM 892 CG LEU A 117 -4.828 -18.040 9.379 1.00 32.77 C ATOM 893 CD1 LEU A 117 -4.034 -17.955 8.089 1.00 42.91 C ATOM 894 CD2 LEU A 117 -4.677 -16.755 10.186 1.00 37.01 C ATOM 895 H LEU A 117 -6.270 -19.002 6.584 1.00 0.00 H ATOM 896 N ASN A 118 -8.641 -20.335 9.905 1.00 41.23 N ATOM 897 CA ASN A 118 -10.044 -20.318 10.288 1.00 48.87 C ATOM 898 C ASN A 118 -10.429 -18.886 10.633 1.00 50.80 C ATOM 899 O ASN A 118 -9.554 -18.038 10.815 1.00 45.55 O ATOM 900 CB ASN A 118 -10.296 -21.247 11.477 1.00 49.28 C ATOM 901 CG ASN A 118 -9.664 -22.613 11.294 1.00 49.65 C ATOM 902 OD1 ASN A 118 -9.644 -23.160 10.192 1.00 47.27 O ATOM 903 ND2 ASN A 118 -9.136 -23.169 12.379 1.00 48.22 N ATOM 904 HD22 ASN A 118 -9.176 -22.670 13.291 1.00 0.00 H ATOM 905 HD21 ASN A 118 -8.683 -24.103 12.317 1.00 0.00 H ATOM 906 H ASN A 118 -7.944 -20.741 10.561 1.00 0.00 H ATOM 907 N LYS A 119 -11.722 -18.609 10.743 1.00 54.85 N ATOM 908 CA LYS A 119 -12.158 -17.241 11.000 1.00 62.10 C ATOM 909 C LYS A 119 -11.681 -16.721 12.357 1.00 60.14 C ATOM 910 O LYS A 119 -11.468 -15.520 12.521 1.00 63.61 O ATOM 911 CB LYS A 119 -13.681 -17.135 10.917 1.00 63.50 C ATOM 912 CG LYS A 119 -14.162 -15.727 10.598 1.00 66.18 C ATOM 913 CD LYS A 119 -15.675 -15.646 10.500 1.00 71.76 C ATOM 914 CE LYS A 119 -16.321 -15.563 11.872 1.00 74.32 C ATOM 915 NZ LYS A 119 -17.806 -15.493 11.780 1.00 81.87 N ATOM 916 HZ1 LYS A 119 -18.079 -14.649 11.238 1.00 0.00 H ATOM 917 HZ2 LYS A 119 -18.163 -16.344 11.301 1.00 0.00 H ATOM 918 HZ3 LYS A 119 -18.209 -15.437 12.737 1.00 0.00 H ATOM 919 H LYS A 119 -12.426 -19.369 10.646 1.00 0.00 H ATOM 920 N GLN A 120 -11.503 -17.620 13.321 1.00 60.11 N ATOM 921 CA GLN A 120 -11.122 -17.217 14.673 1.00 59.41 C ATOM 922 C GLN A 120 -9.613 -17.038 14.828 1.00 53.31 C ATOM 923 O GLN A 120 -9.151 -16.459 15.812 1.00 53.10 O ATOM 924 CB GLN A 120 -11.630 -18.239 15.694 1.00 65.91 C ATOM 925 CG GLN A 120 -13.134 -18.470 15.643 1.00 73.62 C ATOM 926 CD GLN A 120 -13.925 -17.179 15.579 1.00 78.14 C ATOM 927 OE1 GLN A 120 -13.608 -16.208 16.265 1.00 80.62 O ATOM 928 NE2 GLN A 120 -14.955 -17.157 14.741 1.00 79.46 N ATOM 929 HE22 GLN A 120 -15.187 -18.001 14.180 1.00 0.00 H ATOM 930 HE21 GLN A 120 -15.529 -16.295 14.646 1.00 0.00 H ATOM 931 H GLN A 120 -11.638 -18.629 13.108 1.00 0.00 H ATOM 932 N GLN A 121 -8.846 -17.532 13.861 1.00 46.22 N ATOM 933 CA GLN A 121 -7.398 -17.348 13.877 1.00 45.62 C ATOM 934 C GLN A 121 -7.011 -15.930 13.454 1.00 51.30 C ATOM 935 O GLN A 121 -5.836 -15.567 13.490 1.00 42.19 O ATOM 936 CB GLN A 121 -6.715 -18.370 12.966 1.00 44.19 C ATOM 937 CG GLN A 121 -6.468 -19.717 13.624 1.00 46.53 C ATOM 938 CD GLN A 121 -5.779 -20.698 12.697 1.00 47.81 C ATOM 939 OE1 GLN A 121 -6.269 -20.986 11.606 1.00 39.48 O ATOM 940 NE2 GLN A 121 -4.633 -21.213 13.127 1.00 49.82 N ATOM 941 HE22 GLN A 121 -4.257 -20.940 14.057 1.00 0.00 H ATOM 942 HE21 GLN A 121 -4.112 -21.889 12.533 1.00 0.00 H ATOM 943 H GLN A 121 -9.285 -18.059 13.079 1.00 0.00 H ATOM 944 N ARG A 122 -8.000 -15.138 13.045 1.00 48.52 N ATOM 945 CA ARG A 122 -7.784 -13.725 12.745 1.00 47.72 C ATOM 946 C ARG A 122 -7.115 -13.054 13.940 1.00 48.46 C ATOM 947 O ARG A 122 -6.087 -12.390 13.800 1.00 44.65 O ATOM 948 CB ARG A 122 -9.117 -13.041 12.404 1.00 46.81 C ATOM 949 CG ARG A 122 -9.103 -11.504 12.363 1.00 48.48 C ATOM 950 CD ARG A 122 -8.564 -10.945 11.055 1.00 42.68 C ATOM 951 NE ARG A 122 -9.301 -11.436 9.892 1.00 42.04 N ATOM 952 CZ ARG A 122 -10.409 -10.887 9.399 1.00 46.66 C ATOM 953 NH1 ARG A 122 -10.942 -9.810 9.962 1.00 46.36 N ATOM 954 NH2 ARG A 122 -10.990 -11.424 8.334 1.00 43.58 N ATOM 955 HE ARG A 122 -8.931 -12.281 9.412 1.00 0.00 H ATOM 956 HH12 ARG A 122 -11.808 -9.391 9.567 1.00 0.00 H ATOM 957 HH11 ARG A 122 -10.494 -9.385 10.799 1.00 0.00 H ATOM 958 HH22 ARG A 122 -11.856 -10.999 7.944 1.00 0.00 H ATOM 959 HH21 ARG A 122 -10.580 -12.270 7.889 1.00 0.00 H ATOM 960 H ARG A 122 -8.954 -15.537 12.936 1.00 0.00 H ATOM 961 N ARG A 123 -7.700 -13.246 15.118 1.00 52.38 N ATOM 962 CA ARG A 123 -7.158 -12.680 16.346 1.00 54.09 C ATOM 963 C ARG A 123 -6.151 -13.624 16.999 1.00 62.42 C ATOM 964 O ARG A 123 -6.426 -14.807 17.196 1.00 64.62 O ATOM 965 CB ARG A 123 -8.288 -12.360 17.326 1.00 64.15 C ATOM 966 CG ARG A 123 -9.303 -11.360 16.792 1.00 65.51 C ATOM 967 CD ARG A 123 -10.171 -10.809 17.908 1.00 72.97 C ATOM 968 NE ARG A 123 -9.390 -10.009 18.847 1.00 73.08 N ATOM 969 CZ ARG A 123 -9.129 -8.714 18.698 1.00 72.13 C ATOM 970 NH1 ARG A 123 -9.588 -8.046 17.646 1.00 69.75 N ATOM 971 NH2 ARG A 123 -8.403 -8.083 19.609 1.00 74.35 N ATOM 972 HE ARG A 123 -9.012 -10.485 19.691 1.00 0.00 H ATOM 973 HH12 ARG A 123 -9.377 -7.033 17.541 1.00 0.00 H ATOM 974 HH11 ARG A 123 -10.158 -8.536 16.927 1.00 0.00 H ATOM 975 HH22 ARG A 123 -8.195 -7.070 19.498 1.00 0.00 H ATOM 976 HH21 ARG A 123 -8.041 -8.601 20.435 1.00 0.00 H ATOM 977 H ARG A 123 -8.569 -13.816 15.164 1.00 0.00 H ATOM 978 N SER A 124 -4.980 -13.081 17.322 1.00 59.95 N ATOM 979 CA SER A 124 -3.933 -13.807 18.040 1.00 68.77 C ATOM 980 C SER A 124 -3.447 -15.069 17.316 1.00 62.13 C ATOM 981 O SER A 124 -3.055 -16.046 17.954 1.00 65.64 O ATOM 982 CB SER A 124 -4.417 -14.164 19.452 1.00 70.42 C ATOM 983 OG SER A 124 -4.520 -13.001 20.258 1.00 76.98 O ATOM 984 HG SER A 124 -4.833 -13.254 21.162 1.00 0.00 H ATOM 985 H SER A 124 -4.801 -12.093 17.051 1.00 0.00 H ATOM 986 N ASP A 125 -3.470 -15.039 15.987 1.00 37.99 N ATOM 987 CA ASP A 125 -2.710 -15.997 15.188 1.00 30.50 C ATOM 988 C ASP A 125 -2.260 -15.364 13.871 1.00 22.72 C ATOM 989 O ASP A 125 -1.126 -15.571 13.441 1.00 23.90 O ATOM 990 CB ASP A 125 -3.523 -17.268 14.914 1.00 35.30 C ATOM 991 CG ASP A 125 -3.395 -18.303 16.022 1.00 43.40 C ATOM 992 OD1 ASP A 125 -2.305 -18.426 16.619 1.00 43.51 O ATOM 993 OD2 ASP A 125 -4.392 -19.003 16.293 1.00 49.68 O ATOM 994 H ASP A 125 -4.042 -14.317 15.505 1.00 0.00 H ATOM 995 N LEU A 126 -3.137 -14.586 13.239 1.00 25.19 N ATOM 996 CA LEU A 126 -2.809 -13.962 11.957 1.00 26.58 C ATOM 997 C LEU A 126 -1.565 -13.084 12.055 1.00 19.34 C ATOM 998 O LEU A 126 -0.670 -13.167 11.217 1.00 19.66 O ATOM 999 CB LEU A 126 -3.984 -13.127 11.442 1.00 26.26 C ATOM 1000 CG LEU A 126 -3.716 -12.392 10.123 1.00 26.06 C ATOM 1001 CD1 LEU A 126 -3.409 -13.381 9.012 1.00 27.58 C ATOM 1002 CD2 LEU A 126 -4.888 -11.507 9.738 1.00 27.70 C ATOM 1003 H LEU A 126 -4.071 -14.419 13.664 1.00 0.00 H ATOM 1004 N ASP A 127 -1.513 -12.240 13.079 1.00 21.94 N ATOM 1005 CA ASP A 127 -0.385 -11.333 13.245 1.00 21.88 C ATOM 1006 C ASP A 127 0.905 -12.115 13.473 1.00 20.52 C ATOM 1007 O ASP A 127 1.946 -11.790 12.898 1.00 19.52 O ATOM 1008 CB ASP A 127 -0.640 -10.367 14.400 1.00 24.03 C ATOM 1009 CG ASP A 127 -1.740 -9.362 14.094 1.00 37.36 C ATOM 1010 OD1 ASP A 127 -1.907 -8.992 12.913 1.00 39.93 O ATOM 1011 OD2 ASP A 127 -2.433 -8.935 15.040 1.00 49.05 O ATOM 1012 H ASP A 127 -2.288 -12.226 13.772 1.00 0.00 H ATOM 1013 N ARG A 128 0.833 -13.155 14.299 1.00 21.15 N ATOM 1014 CA ARG A 128 1.998 -13.998 14.550 1.00 19.52 C ATOM 1015 C ARG A 128 2.460 -14.697 13.268 1.00 19.85 C ATOM 1016 O ARG A 128 3.646 -14.668 12.935 1.00 19.00 O ATOM 1017 CB ARG A 128 1.694 -15.029 15.636 1.00 21.54 C ATOM 1018 CG ARG A 128 2.832 -16.006 15.890 1.00 26.69 C ATOM 1019 CD ARG A 128 2.613 -16.839 17.143 1.00 27.24 C ATOM 1020 NE ARG A 128 1.415 -17.676 17.079 1.00 28.40 N ATOM 1021 CZ ARG A 128 1.313 -18.788 16.357 1.00 42.40 C ATOM 1022 NH1 ARG A 128 2.329 -19.199 15.607 1.00 36.56 N ATOM 1023 NH2 ARG A 128 0.185 -19.484 16.371 1.00 43.90 N ATOM 1024 HE ARG A 128 0.587 -17.382 17.636 1.00 0.00 H ATOM 1025 HH12 ARG A 128 2.242 -20.070 15.045 1.00 0.00 H ATOM 1026 HH11 ARG A 128 3.212 -18.650 15.582 1.00 0.00 H ATOM 1027 HH22 ARG A 128 0.104 -20.354 15.807 1.00 0.00 H ATOM 1028 HH21 ARG A 128 -0.619 -19.160 16.946 1.00 0.00 H ATOM 1029 H ARG A 128 -0.067 -13.371 14.773 1.00 0.00 H ATOM 1030 N PHE A 129 1.524 -15.309 12.547 1.00 20.00 N ATOM 1031 CA PHE A 129 1.851 -16.008 11.309 1.00 19.74 C ATOM 1032 C PHE A 129 2.479 -15.068 10.278 1.00 17.66 C ATOM 1033 O PHE A 129 3.452 -15.421 9.607 1.00 17.97 O ATOM 1034 CB PHE A 129 0.599 -16.654 10.697 1.00 19.38 C ATOM 1035 CG PHE A 129 0.091 -17.879 11.426 1.00 28.85 C ATOM 1036 CD1 PHE A 129 -1.230 -18.272 11.275 1.00 36.78 C ATOM 1037 CD2 PHE A 129 0.917 -18.646 12.234 1.00 23.97 C ATOM 1038 CE1 PHE A 129 -1.724 -19.395 11.919 1.00 28.07 C ATOM 1039 CE2 PHE A 129 0.429 -19.771 12.883 1.00 30.35 C ATOM 1040 CZ PHE A 129 -0.894 -20.144 12.723 1.00 29.56 C ATOM 1041 H PHE A 129 0.537 -15.289 12.873 1.00 0.00 H ATOM 1042 N TRP A 130 1.925 -13.868 10.148 1.00 16.64 N ATOM 1043 CA TRP A 130 2.406 -12.930 9.141 1.00 16.10 C ATOM 1044 C TRP A 130 3.807 -12.436 9.489 1.00 15.76 C ATOM 1045 O TRP A 130 4.687 -12.413 8.640 1.00 16.64 O ATOM 1046 CB TRP A 130 1.433 -11.762 8.992 1.00 18.49 C ATOM 1047 CG TRP A 130 1.822 -10.749 7.952 1.00 17.65 C ATOM 1048 CD1 TRP A 130 1.911 -9.403 8.129 1.00 21.49 C ATOM 1049 CD2 TRP A 130 2.165 -10.995 6.576 1.00 18.83 C ATOM 1050 NE1 TRP A 130 2.284 -8.791 6.956 1.00 22.26 N ATOM 1051 CE2 TRP A 130 2.451 -9.746 5.989 1.00 22.49 C ATOM 1052 CE3 TRP A 130 2.260 -12.147 5.788 1.00 19.14 C ATOM 1053 CZ2 TRP A 130 2.819 -9.613 4.648 1.00 23.33 C ATOM 1054 CZ3 TRP A 130 2.630 -12.014 4.456 1.00 21.81 C ATOM 1055 CH2 TRP A 130 2.909 -10.757 3.903 1.00 19.43 C ATOM 1056 HE1 TRP A 130 2.418 -7.768 6.824 1.00 0.00 H ATOM 1057 H TRP A 130 1.139 -13.594 10.772 1.00 0.00 H ATOM 1058 N LEU A 131 4.035 -12.071 10.747 1.00 15.52 N ATOM 1059 CA LEU A 131 5.362 -11.603 11.139 1.00 15.79 C ATOM 1060 C LEU A 131 6.386 -12.725 10.995 1.00 15.99 C ATOM 1061 O LEU A 131 7.487 -12.508 10.501 1.00 16.38 O ATOM 1062 CB LEU A 131 5.371 -11.068 12.572 1.00 15.58 C ATOM 1063 CG LEU A 131 6.754 -10.610 13.049 1.00 16.79 C ATOM 1064 CD1 LEU A 131 7.353 -9.531 12.140 1.00 16.65 C ATOM 1065 CD2 LEU A 131 6.698 -10.113 14.487 1.00 18.57 C ATOM 1066 H LEU A 131 3.270 -12.119 11.450 1.00 0.00 H ATOM 1067 N GLU A 132 6.022 -13.930 11.417 1.00 18.11 N ATOM 1068 CA GLU A 132 6.921 -15.068 11.275 1.00 19.13 C ATOM 1069 C GLU A 132 7.235 -15.322 9.799 1.00 17.39 C ATOM 1070 O GLU A 132 8.364 -15.667 9.451 1.00 19.96 O ATOM 1071 CB GLU A 132 6.318 -16.307 11.938 1.00 18.01 C ATOM 1072 CG GLU A 132 6.461 -16.248 13.446 1.00 19.52 C ATOM 1073 CD GLU A 132 5.789 -17.388 14.185 1.00 23.91 C ATOM 1074 OE1 GLU A 132 5.081 -18.201 13.560 1.00 24.93 O ATOM 1075 OE2 GLU A 132 5.968 -17.457 15.416 1.00 22.55 O ATOM 1076 H GLU A 132 5.087 -14.063 11.853 1.00 0.00 H ATOM 1077 N THR A 133 6.245 -15.114 8.936 1.00 18.45 N ATOM 1078 CA THR A 133 6.438 -15.256 7.497 1.00 18.16 C ATOM 1079 C THR A 133 7.397 -14.189 6.979 1.00 15.86 C ATOM 1080 O THR A 133 8.336 -14.492 6.243 1.00 16.86 O ATOM 1081 CB THR A 133 5.100 -15.168 6.749 1.00 18.15 C ATOM 1082 OG1 THR A 133 4.238 -16.222 7.194 1.00 17.50 O ATOM 1083 CG2 THR A 133 5.300 -15.287 5.237 1.00 19.12 C ATOM 1084 HG1 THR A 133 4.081 -16.130 8.167 1.00 0.00 H ATOM 1085 H THR A 133 5.308 -14.843 9.297 1.00 0.00 H ATOM 1086 N LEU A 134 7.172 -12.942 7.379 1.00 15.99 N ATOM 1087 CA LEU A 134 8.055 -11.852 6.983 1.00 17.68 C ATOM 1088 C LEU A 134 9.495 -12.122 7.394 1.00 16.94 C ATOM 1089 O LEU A 134 10.423 -11.863 6.631 1.00 17.01 O ATOM 1090 CB LEU A 134 7.587 -10.531 7.592 1.00 16.55 C ATOM 1091 CG LEU A 134 6.261 -9.980 7.065 1.00 19.31 C ATOM 1092 CD1 LEU A 134 5.835 -8.763 7.873 1.00 21.04 C ATOM 1093 CD2 LEU A 134 6.372 -9.625 5.601 1.00 22.43 C ATOM 1094 H LEU A 134 6.351 -12.740 7.985 1.00 0.00 H ATOM 1095 N LEU A 135 9.683 -12.646 8.602 1.00 17.03 N ATOM 1096 CA LEU A 135 11.023 -12.914 9.098 1.00 15.84 C ATOM 1097 C LEU A 135 11.690 -14.067 8.348 1.00 17.37 C ATOM 1098 O LEU A 135 12.911 -14.065 8.182 1.00 20.37 O ATOM 1099 CB LEU A 135 10.982 -13.205 10.602 1.00 20.17 C ATOM 1100 CG LEU A 135 10.560 -12.019 11.474 1.00 18.97 C ATOM 1101 CD1 LEU A 135 10.405 -12.446 12.927 1.00 21.24 C ATOM 1102 CD2 LEU A 135 11.556 -10.859 11.373 1.00 23.49 C ATOM 1103 H LEU A 135 8.861 -12.867 9.199 1.00 0.00 H ATOM 1104 N CYS A 136 10.899 -15.040 7.891 1.00 19.17 N ATOM 1105 CA CYS A 136 11.410 -16.101 7.015 1.00 21.11 C ATOM 1106 C CYS A 136 11.994 -15.524 5.737 1.00 19.58 C ATOM 1107 O CYS A 136 13.021 -15.987 5.236 1.00 22.45 O ATOM 1108 CB CYS A 136 10.314 -17.100 6.639 1.00 20.01 C ATOM 1109 SG CYS A 136 10.033 -18.390 7.848 1.00 25.62 S ATOM 1110 H CYS A 136 9.895 -15.047 8.162 1.00 0.00 H ATOM 1111 N LEU A 137 11.312 -14.525 5.194 1.00 19.94 N ATOM 1112 CA LEU A 137 11.746 -13.897 3.961 1.00 20.30 C ATOM 1113 C LEU A 137 13.025 -13.097 4.170 1.00 19.80 C ATOM 1114 O LEU A 137 14.054 -13.392 3.567 1.00 19.29 O ATOM 1115 CB LEU A 137 10.645 -12.989 3.406 1.00 20.45 C ATOM 1116 CG LEU A 137 9.700 -13.595 2.362 1.00 24.89 C ATOM 1117 CD1 LEU A 137 9.124 -14.927 2.817 1.00 29.48 C ATOM 1118 CD2 LEU A 137 8.585 -12.606 2.048 1.00 23.92 C ATOM 1119 H LEU A 137 10.448 -14.185 5.662 1.00 0.00 H ATOM 1120 N ILE A 138 12.969 -12.087 5.031 1.00 17.89 N ATOM 1121 CA ILE A 138 14.074 -11.139 5.107 1.00 18.90 C ATOM 1122 C ILE A 138 15.288 -11.763 5.793 1.00 18.97 C ATOM 1123 O ILE A 138 16.419 -11.341 5.562 1.00 20.22 O ATOM 1124 CB ILE A 138 13.656 -9.832 5.824 1.00 21.25 C ATOM 1125 CG1 ILE A 138 13.318 -10.078 7.296 1.00 19.31 C ATOM 1126 CG2 ILE A 138 12.468 -9.208 5.102 1.00 20.09 C ATOM 1127 CD1 ILE A 138 13.161 -8.791 8.101 1.00 24.12 C ATOM 1128 H ILE A 138 12.140 -11.973 5.649 1.00 0.00 H ATOM 1129 N GLY A 139 15.050 -12.790 6.603 1.00 19.16 N ATOM 1130 CA GLY A 139 16.126 -13.520 7.250 1.00 19.58 C ATOM 1131 C GLY A 139 16.679 -14.675 6.429 1.00 19.43 C ATOM 1132 O GLY A 139 17.608 -15.356 6.867 1.00 22.74 O ATOM 1133 H GLY A 139 14.066 -13.079 6.778 1.00 0.00 H ATOM 1134 N GLU A 140 16.111 -14.888 5.244 1.00 20.53 N ATOM 1135 CA GLU A 140 16.561 -15.929 4.324 1.00 21.36 C ATOM 1136 C GLU A 140 16.613 -17.284 5.029 1.00 21.20 C ATOM 1137 O GLU A 140 17.629 -17.973 5.010 1.00 21.93 O ATOM 1138 CB GLU A 140 17.929 -15.571 3.741 1.00 22.51 C ATOM 1139 CG GLU A 140 18.030 -14.138 3.212 1.00 22.70 C ATOM 1140 CD GLU A 140 17.259 -13.909 1.922 1.00 26.65 C ATOM 1141 OE1 GLU A 140 17.028 -14.879 1.172 1.00 30.79 O ATOM 1142 OE2 GLU A 140 16.895 -12.746 1.649 1.00 27.00 O ATOM 1143 H GLU A 140 15.311 -14.286 4.961 1.00 0.00 H ATOM 1144 N SER A 141 15.493 -17.652 5.638 1.00 20.97 N ATOM 1145 CA SER A 141 15.429 -18.806 6.528 1.00 21.36 C ATOM 1146 C SER A 141 15.539 -20.162 5.840 1.00 25.09 C ATOM 1147 O SER A 141 15.679 -21.182 6.515 1.00 27.55 O ATOM 1148 CB SER A 141 14.122 -18.760 7.316 1.00 23.54 C ATOM 1149 OG SER A 141 14.121 -17.661 8.208 1.00 27.52 O ATOM 1150 HG SER A 141 13.268 -17.646 8.710 1.00 0.00 H ATOM 1151 H SER A 141 14.629 -17.097 5.475 1.00 0.00 H ATOM 1152 N PHE A 142 15.474 -20.180 4.512 1.00 24.89 N ATOM 1153 CA PHE A 142 15.491 -21.440 3.766 1.00 24.29 C ATOM 1154 C PHE A 142 16.862 -21.710 3.154 1.00 25.71 C ATOM 1155 O PHE A 142 17.003 -22.551 2.263 1.00 26.66 O ATOM 1156 CB PHE A 142 14.404 -21.418 2.693 1.00 25.72 C ATOM 1157 CG PHE A 142 13.063 -20.999 3.221 1.00 25.01 C ATOM 1158 CD1 PHE A 142 12.498 -19.793 2.843 1.00 24.10 C ATOM 1159 CD2 PHE A 142 12.385 -21.798 4.126 1.00 28.47 C ATOM 1160 CE1 PHE A 142 11.267 -19.399 3.347 1.00 21.84 C ATOM 1161 CE2 PHE A 142 11.155 -21.412 4.630 1.00 28.69 C ATOM 1162 CZ PHE A 142 10.597 -20.215 4.242 1.00 21.27 C ATOM 1163 H PHE A 142 15.410 -19.281 3.993 1.00 0.00 H ATOM 1164 N ASP A 143 17.869 -21.000 3.660 1.00 27.02 N ATOM 1165 CA ASP A 143 19.260 -21.193 3.261 1.00 30.71 C ATOM 1166 C ASP A 143 19.417 -21.057 1.739 1.00 35.94 C ATOM 1167 O ASP A 143 18.909 -20.099 1.163 1.00 33.28 O ATOM 1168 CB ASP A 143 19.765 -22.545 3.775 1.00 33.76 C ATOM 1169 CG ASP A 143 19.741 -22.633 5.293 1.00 47.94 C ATOM 1170 OD1 ASP A 143 19.859 -21.579 5.953 1.00 52.44 O ATOM 1171 OD2 ASP A 143 19.607 -23.752 5.831 1.00 37.41 O ATOM 1172 H ASP A 143 17.654 -20.274 4.373 1.00 0.00 H ATOM 1173 N ASP A 144 20.105 -21.990 1.084 1.00 37.04 N ATOM 1174 CA ASP A 144 20.346 -21.884 -0.353 1.00 42.10 C ATOM 1175 C ASP A 144 19.043 -21.823 -1.146 1.00 41.29 C ATOM 1176 O ASP A 144 19.004 -21.267 -2.245 1.00 44.98 O ATOM 1177 CB ASP A 144 21.193 -23.060 -0.845 1.00 46.06 C ATOM 1178 CG ASP A 144 22.584 -23.074 -0.241 1.00 51.65 C ATOM 1179 OD1 ASP A 144 23.095 -21.990 0.113 1.00 52.46 O ATOM 1180 OD2 ASP A 144 23.169 -24.171 -0.126 1.00 54.63 O ATOM 1181 H ASP A 144 20.478 -22.809 1.605 1.00 0.00 H ATOM 1182 N TYR A 145 17.978 -22.391 -0.589 1.00 33.08 N ATOM 1183 CA TYR A 145 16.693 -22.426 -1.280 1.00 30.15 C ATOM 1184 C TYR A 145 15.918 -21.112 -1.164 1.00 26.49 C ATOM 1185 O TYR A 145 14.913 -20.921 -1.849 1.00 28.45 O ATOM 1186 CB TYR A 145 15.839 -23.577 -0.746 1.00 30.42 C ATOM 1187 CG TYR A 145 16.473 -24.938 -0.932 1.00 34.13 C ATOM 1188 CD1 TYR A 145 16.567 -25.516 -2.190 1.00 41.17 C ATOM 1189 CD2 TYR A 145 16.975 -25.645 0.152 1.00 35.88 C ATOM 1190 CE1 TYR A 145 17.143 -26.763 -2.365 1.00 46.08 C ATOM 1191 CE2 TYR A 145 17.552 -26.891 -0.012 1.00 47.50 C ATOM 1192 CZ TYR A 145 17.634 -27.445 -1.272 1.00 41.72 C ATOM 1193 OH TYR A 145 18.209 -28.685 -1.439 1.00 48.43 O ATOM 1194 HH TYR A 145 17.704 -29.355 -0.913 1.00 0.00 H ATOM 1195 H TYR A 145 18.062 -22.818 0.356 1.00 0.00 H ATOM 1196 N SER A 146 16.374 -20.201 -0.308 1.00 26.06 N ATOM 1197 CA SER A 146 15.716 -18.900 -0.203 1.00 25.57 C ATOM 1198 C SER A 146 15.804 -18.142 -1.528 1.00 38.39 C ATOM 1199 O SER A 146 15.016 -17.232 -1.782 1.00 31.60 O ATOM 1200 CB SER A 146 16.323 -18.067 0.927 1.00 30.60 C ATOM 1201 OG SER A 146 15.676 -18.334 2.162 1.00 28.79 O ATOM 1202 HG SER A 146 14.715 -18.111 2.084 1.00 0.00 H ATOM 1203 H SER A 146 17.200 -20.415 0.287 1.00 0.00 H ATOM 1204 N ASP A 147 16.756 -18.526 -2.374 1.00 34.36 N ATOM 1205 CA ASP A 147 16.873 -17.946 -3.709 1.00 32.57 C ATOM 1206 C ASP A 147 15.619 -18.180 -4.548 1.00 38.88 C ATOM 1207 O ASP A 147 15.295 -17.375 -5.419 1.00 43.01 O ATOM 1208 CB ASP A 147 18.088 -18.520 -4.440 1.00 47.03 C ATOM 1209 CG ASP A 147 19.330 -17.675 -4.257 1.00 58.73 C ATOM 1210 OD1 ASP A 147 19.389 -16.573 -4.843 1.00 58.83 O ATOM 1211 OD2 ASP A 147 20.251 -18.115 -3.537 1.00 58.41 O ATOM 1212 H ASP A 147 17.434 -19.257 -2.077 1.00 0.00 H ATOM 1213 N ASP A 148 14.921 -19.283 -4.292 1.00 27.47 N ATOM 1214 CA ASP A 148 13.707 -19.606 -5.041 1.00 23.36 C ATOM 1215 C ASP A 148 12.493 -18.838 -4.525 1.00 22.34 C ATOM 1216 O ASP A 148 11.432 -18.864 -5.141 1.00 23.38 O ATOM 1217 CB ASP A 148 13.420 -21.110 -4.986 1.00 26.61 C ATOM 1218 CG ASP A 148 14.106 -21.877 -6.102 1.00 45.81 C ATOM 1219 OD1 ASP A 148 13.423 -22.670 -6.788 1.00 42.02 O ATOM 1220 OD2 ASP A 148 15.326 -21.690 -6.293 1.00 54.37 O ATOM 1221 H ASP A 148 15.245 -19.929 -3.544 1.00 0.00 H ATOM 1222 N VAL A 149 12.644 -18.161 -3.391 1.00 19.59 N ATOM 1223 CA VAL A 149 11.546 -17.395 -2.816 1.00 18.93 C ATOM 1224 C VAL A 149 11.384 -16.076 -3.560 1.00 21.21 C ATOM 1225 O VAL A 149 12.362 -15.372 -3.809 1.00 24.59 O ATOM 1226 CB VAL A 149 11.774 -17.122 -1.310 1.00 22.14 C ATOM 1227 CG1 VAL A 149 10.710 -16.179 -0.752 1.00 20.12 C ATOM 1228 CG2 VAL A 149 11.780 -18.426 -0.538 1.00 25.05 C ATOM 1229 H VAL A 149 13.563 -18.178 -2.905 1.00 0.00 H ATOM 1230 N CYS A 150 10.144 -15.755 -3.918 1.00 20.10 N ATOM 1231 CA CYS A 150 9.833 -14.484 -4.570 1.00 18.48 C ATOM 1232 C CYS A 150 9.276 -13.481 -3.572 1.00 18.98 C ATOM 1233 O CYS A 150 9.640 -12.304 -3.585 1.00 18.98 O ATOM 1234 CB CYS A 150 8.832 -14.694 -5.702 1.00 20.81 C ATOM 1235 SG CYS A 150 9.416 -15.829 -6.963 1.00 23.19 S ATOM 1236 H CYS A 150 9.374 -16.427 -3.729 1.00 0.00 H ATOM 1237 N GLY A 151 8.381 -13.950 -2.712 1.00 19.42 N ATOM 1238 CA GLY A 151 7.731 -13.079 -1.753 1.00 17.48 C ATOM 1239 C GLY A 151 6.653 -13.794 -0.970 1.00 18.62 C ATOM 1240 O GLY A 151 6.545 -15.025 -1.011 1.00 19.64 O ATOM 1241 H GLY A 151 8.141 -14.962 -2.726 1.00 0.00 H ATOM 1242 N ALA A 152 5.850 -13.016 -0.257 1.00 17.47 N ATOM 1243 CA ALA A 152 4.757 -13.549 0.534 1.00 16.98 C ATOM 1244 C ALA A 152 3.559 -12.619 0.458 1.00 14.87 C ATOM 1245 O ALA A 152 3.709 -11.419 0.249 1.00 17.86 O ATOM 1246 CB ALA A 152 5.183 -13.748 1.987 1.00 17.85 C ATOM 1247 H ALA A 152 6.009 -11.988 -0.265 1.00 0.00 H ATOM 1248 N VAL A 153 2.375 -13.189 0.651 1.00 17.37 N ATOM 1249 CA VAL A 153 1.119 -12.469 0.517 1.00 18.07 C ATOM 1250 C VAL A 153 0.195 -12.817 1.668 1.00 19.43 C ATOM 1251 O VAL A 153 0.016 -13.993 1.978 1.00 19.92 O ATOM 1252 CB VAL A 153 0.408 -12.819 -0.805 1.00 19.97 C ATOM 1253 CG1 VAL A 153 -0.896 -12.039 -0.941 1.00 21.68 C ATOM 1254 CG2 VAL A 153 1.322 -12.565 -1.999 1.00 19.46 C ATOM 1255 H VAL A 153 2.345 -14.196 0.910 1.00 0.00 H ATOM 1256 N VAL A 154 -0.390 -11.804 2.299 1.00 17.78 N ATOM 1257 CA VAL A 154 -1.478 -12.028 3.242 1.00 17.65 C ATOM 1258 C VAL A 154 -2.780 -11.464 2.676 1.00 19.62 C ATOM 1259 O VAL A 154 -2.866 -10.283 2.327 1.00 19.03 O ATOM 1260 CB VAL A 154 -1.185 -11.411 4.643 1.00 18.51 C ATOM 1261 CG1 VAL A 154 -0.840 -9.917 4.559 1.00 19.53 C ATOM 1262 CG2 VAL A 154 -2.361 -11.642 5.583 1.00 20.35 C ATOM 1263 H VAL A 154 -0.065 -10.833 2.116 1.00 0.00 H ATOM 1264 N ASN A 155 -3.780 -12.333 2.571 1.00 21.11 N ATOM 1265 CA ASN A 155 -5.122 -11.936 2.164 1.00 22.48 C ATOM 1266 C ASN A 155 -6.023 -11.858 3.385 1.00 22.18 C ATOM 1267 O ASN A 155 -6.175 -12.842 4.114 1.00 23.68 O ATOM 1268 CB ASN A 155 -5.725 -12.926 1.155 1.00 23.11 C ATOM 1269 CG ASN A 155 -4.781 -13.269 0.014 1.00 23.86 C ATOM 1270 OD1 ASN A 155 -4.344 -14.411 -0.118 1.00 29.38 O ATOM 1271 ND2 ASN A 155 -4.484 -12.291 -0.828 1.00 26.61 N ATOM 1272 HD22 ASN A 155 -4.876 -11.339 -0.679 1.00 0.00 H ATOM 1273 HD21 ASN A 155 -3.859 -12.475 -1.639 1.00 0.00 H ATOM 1274 H ASN A 155 -3.598 -13.334 2.787 1.00 0.00 H ATOM 1275 N VAL A 156 -6.613 -10.692 3.617 1.00 21.29 N ATOM 1276 CA VAL A 156 -7.596 -10.546 4.677 1.00 23.12 C ATOM 1277 C VAL A 156 -8.981 -10.727 4.070 1.00 28.75 C ATOM 1278 O VAL A 156 -9.411 -9.935 3.228 1.00 26.04 O ATOM 1279 CB VAL A 156 -7.480 -9.181 5.382 1.00 23.92 C ATOM 1280 CG1 VAL A 156 -8.470 -9.088 6.533 1.00 30.12 C ATOM 1281 CG2 VAL A 156 -6.065 -8.976 5.886 1.00 27.88 C ATOM 1282 H VAL A 156 -6.368 -9.869 3.030 1.00 0.00 H ATOM 1283 N ARG A 157 -9.661 -11.789 4.494 1.00 28.31 N ATOM 1284 CA ARG A 157 -10.963 -12.164 3.947 1.00 32.82 C ATOM 1285 C ARG A 157 -11.915 -12.577 5.064 1.00 43.92 C ATOM 1286 O ARG A 157 -11.526 -13.296 5.984 1.00 37.83 O ATOM 1287 CB ARG A 157 -10.823 -13.320 2.950 1.00 41.36 C ATOM 1288 CG ARG A 157 -9.879 -13.066 1.786 1.00 34.34 C ATOM 1289 CD ARG A 157 -10.510 -12.196 0.716 1.00 30.46 C ATOM 1290 NE ARG A 157 -9.628 -12.057 -0.439 1.00 29.86 N ATOM 1291 CZ ARG A 157 -8.655 -11.156 -0.540 1.00 31.75 C ATOM 1292 NH1 ARG A 157 -8.426 -10.296 0.447 1.00 25.90 N ATOM 1293 NH2 ARG A 157 -7.904 -11.116 -1.632 1.00 27.99 N ATOM 1294 HE ARG A 157 -9.770 -12.707 -1.238 1.00 0.00 H ATOM 1295 HH12 ARG A 157 -7.663 -9.595 0.359 1.00 0.00 H ATOM 1296 HH11 ARG A 157 -9.010 -10.324 1.307 1.00 0.00 H ATOM 1297 HH22 ARG A 157 -7.142 -10.413 -1.714 1.00 0.00 H ATOM 1298 HH21 ARG A 157 -8.077 -11.788 -2.407 1.00 0.00 H ATOM 1299 H ARG A 157 -9.249 -12.377 5.246 1.00 0.00 H ATOM 1300 N ALA A 158 -13.162 -12.128 4.977 1.00 45.52 N ATOM 1301 CA ALA A 158 -14.193 -12.556 5.917 1.00 54.27 C ATOM 1302 C ALA A 158 -14.385 -14.067 5.829 1.00 52.08 C ATOM 1303 O ALA A 158 -14.720 -14.723 6.814 1.00 51.76 O ATOM 1304 CB ALA A 158 -15.496 -11.838 5.637 1.00 55.06 C ATOM 1305 H ALA A 158 -13.409 -11.457 4.222 1.00 0.00 H ATOM 1306 N LYS A 159 -14.163 -14.605 4.634 1.00 48.06 N ATOM 1307 CA LYS A 159 -14.265 -16.038 4.384 1.00 53.11 C ATOM 1308 C LYS A 159 -13.220 -16.814 5.182 1.00 47.61 C ATOM 1309 O LYS A 159 -13.416 -17.982 5.517 1.00 46.71 O ATOM 1310 CB LYS A 159 -14.096 -16.309 2.888 1.00 52.92 C ATOM 1311 CG LYS A 159 -14.520 -17.696 2.429 1.00 62.35 C ATOM 1312 CD LYS A 159 -14.433 -17.825 0.908 1.00 62.39 C ATOM 1313 CE LYS A 159 -15.474 -16.964 0.196 1.00 65.18 C ATOM 1314 NZ LYS A 159 -15.292 -16.959 -1.282 1.00 70.68 N ATOM 1315 HZ1 LYS A 159 -14.351 -16.582 -1.513 1.00 0.00 H ATOM 1316 HZ2 LYS A 159 -15.376 -17.930 -1.644 1.00 0.00 H ATOM 1317 HZ3 LYS A 159 -16.023 -16.361 -1.718 1.00 0.00 H ATOM 1318 H LYS A 159 -13.906 -13.978 3.845 1.00 0.00 H ATOM 1319 N GLY A 160 -12.112 -16.148 5.486 1.00 40.19 N ATOM 1320 CA GLY A 160 -10.992 -16.772 6.164 1.00 44.06 C ATOM 1321 C GLY A 160 -9.696 -16.240 5.590 1.00 40.31 C ATOM 1322 O GLY A 160 -9.464 -16.318 4.385 1.00 35.80 O ATOM 1323 H GLY A 160 -12.045 -15.143 5.229 1.00 0.00 H ATOM 1324 N ASP A 161 -8.849 -15.689 6.450 1.00 28.06 N ATOM 1325 CA ASP A 161 -7.607 -15.087 5.994 1.00 24.82 C ATOM 1326 C ASP A 161 -6.675 -16.137 5.412 1.00 24.02 C ATOM 1327 O ASP A 161 -6.798 -17.328 5.707 1.00 28.48 O ATOM 1328 CB ASP A 161 -6.919 -14.353 7.143 1.00 24.59 C ATOM 1329 CG ASP A 161 -7.835 -13.366 7.825 1.00 34.59 C ATOM 1330 OD1 ASP A 161 -8.619 -12.694 7.120 1.00 36.02 O ATOM 1331 OD2 ASP A 161 -7.784 -13.270 9.067 1.00 36.33 O ATOM 1332 H ASP A 161 -9.077 -15.688 7.465 1.00 0.00 H ATOM 1333 N LYS A 162 -5.749 -15.682 4.575 1.00 22.20 N ATOM 1334 CA LYS A 162 -4.776 -16.558 3.947 1.00 21.89 C ATOM 1335 C LYS A 162 -3.391 -15.931 3.966 1.00 21.92 C ATOM 1336 O LYS A 162 -3.245 -14.716 3.834 1.00 21.49 O ATOM 1337 CB LYS A 162 -5.189 -16.868 2.508 1.00 22.08 C ATOM 1338 CG LYS A 162 -6.486 -17.650 2.409 1.00 26.16 C ATOM 1339 CD LYS A 162 -6.866 -17.932 0.966 1.00 26.50 C ATOM 1340 CE LYS A 162 -7.309 -16.674 0.250 1.00 32.23 C ATOM 1341 NZ LYS A 162 -7.803 -16.978 -1.119 1.00 45.22 N ATOM 1342 HZ1 LYS A 162 -7.041 -17.423 -1.670 1.00 0.00 H ATOM 1343 HZ2 LYS A 162 -8.613 -17.627 -1.058 1.00 0.00 H ATOM 1344 HZ3 LYS A 162 -8.099 -16.096 -1.583 1.00 0.00 H ATOM 1345 H LYS A 162 -5.720 -14.664 4.362 1.00 0.00 H ATOM 1346 N ILE A 163 -2.380 -16.770 4.152 1.00 21.00 N ATOM 1347 CA ILE A 163 -0.992 -16.358 4.003 1.00 18.32 C ATOM 1348 C ILE A 163 -0.291 -17.338 3.086 1.00 19.74 C ATOM 1349 O ILE A 163 -0.545 -18.541 3.152 1.00 19.98 O ATOM 1350 CB ILE A 163 -0.248 -16.303 5.344 1.00 20.44 C ATOM 1351 CG1 ILE A 163 -0.939 -15.329 6.298 1.00 22.75 C ATOM 1352 CG2 ILE A 163 1.208 -15.892 5.123 1.00 21.20 C ATOM 1353 CD1 ILE A 163 -0.451 -15.443 7.724 1.00 26.15 C ATOM 1354 H ILE A 163 -2.586 -17.755 4.413 1.00 0.00 H ATOM 1355 N ALA A 164 0.590 -16.829 2.233 1.00 19.57 N ATOM 1356 CA ALA A 164 1.285 -17.681 1.283 1.00 20.60 C ATOM 1357 C ALA A 164 2.702 -17.218 1.008 1.00 20.26 C ATOM 1358 O ALA A 164 2.969 -16.021 0.971 1.00 21.65 O ATOM 1359 CB ALA A 164 0.503 -17.749 -0.023 1.00 21.55 C ATOM 1360 H ALA A 164 0.785 -15.808 2.245 1.00 0.00 H ATOM 1361 N ILE A 165 3.606 -18.175 0.825 1.00 18.74 N ATOM 1362 CA ILE A 165 4.936 -17.885 0.305 1.00 16.86 C ATOM 1363 C ILE A 165 5.001 -18.313 -1.156 1.00 17.33 C ATOM 1364 O ILE A 165 4.765 -19.476 -1.496 1.00 20.17 O ATOM 1365 CB ILE A 165 6.051 -18.580 1.118 1.00 22.59 C ATOM 1366 CG1 ILE A 165 6.193 -17.898 2.484 1.00 20.92 C ATOM 1367 CG2 ILE A 165 7.386 -18.526 0.363 1.00 23.33 C ATOM 1368 CD1 ILE A 165 7.257 -18.496 3.393 1.00 23.25 C ATOM 1369 H ILE A 165 3.357 -19.157 1.059 1.00 0.00 H ATOM 1370 N TRP A 166 5.318 -17.346 -2.007 1.00 18.88 N ATOM 1371 CA TRP A 166 5.427 -17.561 -3.442 1.00 17.83 C ATOM 1372 C TRP A 166 6.852 -17.939 -3.816 1.00 17.94 C ATOM 1373 O TRP A 166 7.801 -17.286 -3.376 1.00 19.28 O ATOM 1374 CB TRP A 166 5.024 -16.296 -4.201 1.00 18.07 C ATOM 1375 CG TRP A 166 3.562 -15.968 -4.194 1.00 18.33 C ATOM 1376 CD1 TRP A 166 2.657 -16.235 -3.214 1.00 19.52 C ATOM 1377 CD2 TRP A 166 2.838 -15.307 -5.239 1.00 19.55 C ATOM 1378 NE1 TRP A 166 1.411 -15.778 -3.580 1.00 21.46 N ATOM 1379 CE2 TRP A 166 1.498 -15.202 -4.819 1.00 19.65 C ATOM 1380 CE3 TRP A 166 3.196 -14.788 -6.486 1.00 20.72 C ATOM 1381 CZ2 TRP A 166 0.514 -14.606 -5.603 1.00 23.45 C ATOM 1382 CZ3 TRP A 166 2.218 -14.195 -7.263 1.00 21.06 C ATOM 1383 CH2 TRP A 166 0.894 -14.106 -6.816 1.00 22.99 C ATOM 1384 HE1 TRP A 166 0.545 -15.857 -3.009 1.00 0.00 H ATOM 1385 H TRP A 166 5.496 -16.392 -1.632 1.00 0.00 H ATOM 1386 N THR A 167 7.003 -18.980 -4.632 1.00 18.98 N ATOM 1387 CA THR A 167 8.321 -19.376 -5.126 1.00 21.79 C ATOM 1388 C THR A 167 8.323 -19.389 -6.652 1.00 21.67 C ATOM 1389 O THR A 167 7.271 -19.340 -7.291 1.00 23.58 O ATOM 1390 CB THR A 167 8.766 -20.760 -4.583 1.00 21.43 C ATOM 1391 OG1 THR A 167 8.128 -21.822 -5.308 1.00 22.74 O ATOM 1392 CG2 THR A 167 8.449 -20.886 -3.095 1.00 21.93 C ATOM 1393 HG1 THR A 167 7.146 -21.742 -5.212 1.00 0.00 H ATOM 1394 H THR A 167 6.166 -19.523 -4.924 1.00 0.00 H ATOM 1395 N THR A 168 9.513 -19.467 -7.234 1.00 20.78 N ATOM 1396 CA THR A 168 9.695 -19.103 -8.635 1.00 22.99 C ATOM 1397 C THR A 168 9.535 -20.246 -9.654 1.00 25.61 C ATOM 1398 O THR A 168 9.275 -19.983 -10.831 1.00 28.57 O ATOM 1399 CB THR A 168 11.089 -18.460 -8.819 1.00 26.05 C ATOM 1400 OG1 THR A 168 11.195 -17.889 -10.128 1.00 29.08 O ATOM 1401 CG2 THR A 168 12.203 -19.479 -8.596 1.00 30.97 C ATOM 1402 HG1 THR A 168 10.498 -17.195 -10.242 1.00 0.00 H ATOM 1403 H THR A 168 10.331 -19.794 -6.681 1.00 0.00 H ATOM 1404 N GLU A 169 9.675 -21.495 -9.207 1.00 30.57 N ATOM 1405 CA GLU A 169 9.582 -22.654 -10.097 1.00 32.36 C ATOM 1406 C GLU A 169 8.802 -23.791 -9.442 1.00 31.56 C ATOM 1407 O GLU A 169 9.300 -24.466 -8.539 1.00 31.11 O ATOM 1408 CB GLU A 169 10.978 -23.141 -10.491 1.00 34.48 C ATOM 1409 CG GLU A 169 11.746 -22.193 -11.404 1.00 36.34 C ATOM 1410 CD GLU A 169 11.161 -22.103 -12.802 1.00 49.79 C ATOM 1411 OE1 GLU A 169 10.729 -23.144 -13.345 1.00 45.16 O ATOM 1412 OE2 GLU A 169 11.137 -20.985 -13.360 1.00 43.04 O ATOM 1413 H GLU A 169 9.856 -21.650 -8.195 1.00 0.00 H ATOM 1414 N CYS A 170 7.576 -24.011 -9.910 1.00 31.74 N ATOM 1415 CA CYS A 170 6.693 -25.002 -9.297 1.00 39.93 C ATOM 1416 C CYS A 170 7.129 -26.443 -9.555 1.00 35.56 C ATOM 1417 O CYS A 170 6.617 -27.367 -8.919 1.00 38.08 O ATOM 1418 CB CYS A 170 5.248 -24.809 -9.783 1.00 31.39 C ATOM 1419 SG CYS A 170 4.926 -25.215 -11.521 1.00 35.98 S ATOM 1420 H CYS A 170 7.239 -23.466 -10.729 1.00 0.00 H ATOM 1421 N GLU A 171 8.071 -26.639 -10.474 1.00 35.91 N ATOM 1422 CA GLU A 171 8.532 -27.985 -10.806 1.00 38.74 C ATOM 1423 C GLU A 171 9.819 -28.372 -10.069 1.00 38.62 C ATOM 1424 O GLU A 171 10.272 -29.513 -10.170 1.00 40.96 O ATOM 1425 CB GLU A 171 8.731 -28.113 -12.319 1.00 42.19 C ATOM 1426 CG GLU A 171 7.416 -28.157 -13.090 1.00 43.42 C ATOM 1427 CD GLU A 171 7.599 -28.369 -14.580 1.00 57.05 C ATOM 1428 OE1 GLU A 171 8.528 -29.106 -14.974 1.00 63.59 O ATOM 1429 OE2 GLU A 171 6.807 -27.799 -15.360 1.00 64.74 O ATOM 1430 H GLU A 171 8.486 -25.821 -10.964 1.00 0.00 H ATOM 1431 N ASN A 172 10.400 -27.435 -9.323 1.00 36.28 N ATOM 1432 CA ASN A 172 11.565 -27.747 -8.501 1.00 36.16 C ATOM 1433 C ASN A 172 11.119 -28.372 -7.186 1.00 34.79 C ATOM 1434 O ASN A 172 11.013 -27.692 -6.169 1.00 32.57 O ATOM 1435 CB ASN A 172 12.407 -26.495 -8.239 1.00 40.18 C ATOM 1436 CG ASN A 172 13.748 -26.814 -7.591 1.00 45.90 C ATOM 1437 OD1 ASN A 172 13.943 -27.893 -7.030 1.00 37.46 O ATOM 1438 ND2 ASN A 172 14.677 -25.870 -7.662 1.00 50.16 N ATOM 1439 HD22 ASN A 172 14.471 -24.973 -8.145 1.00 0.00 H ATOM 1440 HD21 ASN A 172 15.612 -26.027 -7.234 1.00 0.00 H ATOM 1441 H ASN A 172 10.019 -26.467 -9.326 1.00 0.00 H ATOM 1442 N ARG A 173 10.862 -29.675 -7.219 1.00 36.66 N ATOM 1443 CA ARG A 173 10.366 -30.400 -6.057 1.00 36.11 C ATOM 1444 C ARG A 173 11.292 -30.236 -4.855 1.00 34.95 C ATOM 1445 O ARG A 173 10.832 -30.041 -3.731 1.00 33.39 O ATOM 1446 CB ARG A 173 10.206 -31.882 -6.398 1.00 39.99 C ATOM 1447 CG ARG A 173 9.613 -32.731 -5.290 1.00 48.87 C ATOM 1448 CD ARG A 173 9.588 -34.195 -5.695 1.00 53.10 C ATOM 1449 NE ARG A 173 8.921 -35.040 -4.709 1.00 58.70 N ATOM 1450 CZ ARG A 173 9.417 -35.330 -3.510 1.00 62.24 C ATOM 1451 NH1 ARG A 173 10.586 -34.832 -3.128 1.00 61.94 N ATOM 1452 NH2 ARG A 173 8.738 -36.114 -2.684 1.00 61.66 N ATOM 1453 HE ARG A 173 7.996 -35.442 -4.961 1.00 0.00 H ATOM 1454 HH12 ARG A 173 10.968 -35.063 -2.189 1.00 0.00 H ATOM 1455 HH11 ARG A 173 11.121 -34.210 -3.768 1.00 0.00 H ATOM 1456 HH22 ARG A 173 9.126 -36.341 -1.746 1.00 0.00 H ATOM 1457 HH21 ARG A 173 7.818 -36.502 -2.974 1.00 0.00 H ATOM 1458 H ARG A 173 11.020 -30.196 -8.105 1.00 0.00 H ATOM 1459 N GLU A 174 12.595 -30.313 -5.108 1.00 36.12 N ATOM 1460 CA GLU A 174 13.606 -30.195 -4.059 1.00 35.60 C ATOM 1461 C GLU A 174 13.445 -28.904 -3.266 1.00 33.09 C ATOM 1462 O GLU A 174 13.264 -28.927 -2.047 1.00 32.26 O ATOM 1463 CB GLU A 174 15.008 -30.253 -4.674 1.00 39.62 C ATOM 1464 CG GLU A 174 16.154 -30.206 -3.670 1.00 50.26 C ATOM 1465 CD GLU A 174 16.312 -31.497 -2.888 1.00 63.77 C ATOM 1466 OE1 GLU A 174 15.499 -32.425 -3.085 1.00 68.73 O ATOM 1467 OE2 GLU A 174 17.259 -31.585 -2.077 1.00 69.13 O ATOM 1468 H GLU A 174 12.906 -30.463 -6.089 1.00 0.00 H ATOM 1469 N ALA A 175 13.517 -27.779 -3.968 1.00 27.57 N ATOM 1470 CA ALA A 175 13.456 -26.472 -3.329 1.00 26.72 C ATOM 1471 C ALA A 175 12.085 -26.206 -2.720 1.00 24.56 C ATOM 1472 O ALA A 175 11.979 -25.711 -1.596 1.00 25.97 O ATOM 1473 CB ALA A 175 13.805 -25.383 -4.331 1.00 32.05 C ATOM 1474 H ALA A 175 13.620 -27.833 -5.002 1.00 0.00 H ATOM 1475 N VAL A 176 11.040 -26.541 -3.467 1.00 24.61 N ATOM 1476 CA VAL A 176 9.677 -26.266 -3.039 1.00 23.88 C ATOM 1477 C VAL A 176 9.336 -27.024 -1.760 1.00 30.85 C ATOM 1478 O VAL A 176 8.773 -26.450 -0.838 1.00 24.01 O ATOM 1479 CB VAL A 176 8.658 -26.629 -4.143 1.00 25.51 C ATOM 1480 CG1 VAL A 176 7.231 -26.617 -3.604 1.00 28.36 C ATOM 1481 CG2 VAL A 176 8.781 -25.659 -5.311 1.00 32.40 C ATOM 1482 H VAL A 176 11.200 -27.012 -4.381 1.00 0.00 H ATOM 1483 N THR A 177 9.667 -28.311 -1.704 1.00 29.69 N ATOM 1484 CA THR A 177 9.331 -29.104 -0.525 1.00 25.03 C ATOM 1485 C THR A 177 10.187 -28.711 0.683 1.00 27.15 C ATOM 1486 O THR A 177 9.719 -28.779 1.817 1.00 25.27 O ATOM 1487 CB THR A 177 9.480 -30.613 -0.793 1.00 26.44 C ATOM 1488 OG1 THR A 177 10.812 -30.904 -1.229 1.00 28.85 O ATOM 1489 CG2 THR A 177 8.481 -31.063 -1.853 1.00 36.70 C ATOM 1490 HG1 THR A 177 11.002 -30.404 -2.062 1.00 0.00 H ATOM 1491 H THR A 177 10.166 -28.753 -2.502 1.00 0.00 H ATOM 1492 N HIS A 178 11.428 -28.293 0.447 1.00 26.07 N ATOM 1493 CA HIS A 178 12.284 -27.831 1.541 1.00 25.39 C ATOM 1494 C HIS A 178 11.713 -26.563 2.167 1.00 22.52 C ATOM 1495 O HIS A 178 11.611 -26.448 3.389 1.00 25.23 O ATOM 1496 CB HIS A 178 13.711 -27.564 1.056 1.00 25.35 C ATOM 1497 CG HIS A 178 14.606 -26.989 2.112 1.00 34.80 C ATOM 1498 ND1 HIS A 178 15.485 -27.758 2.844 1.00 34.77 N ATOM 1499 CD2 HIS A 178 14.750 -25.720 2.566 1.00 40.04 C ATOM 1500 CE1 HIS A 178 16.136 -26.988 3.698 1.00 37.43 C ATOM 1501 NE2 HIS A 178 15.708 -25.748 3.551 1.00 35.77 N ATOM 1502 H HIS A 178 11.794 -28.295 -0.526 1.00 0.00 H ATOM 1503 N ILE A 179 11.360 -25.607 1.317 1.00 21.50 N ATOM 1504 CA ILE A 179 10.758 -24.361 1.767 1.00 20.91 C ATOM 1505 C ILE A 179 9.475 -24.659 2.536 1.00 23.20 C ATOM 1506 O ILE A 179 9.241 -24.105 3.610 1.00 24.11 O ATOM 1507 CB ILE A 179 10.476 -23.419 0.575 1.00 22.36 C ATOM 1508 CG1 ILE A 179 11.797 -22.895 0.006 1.00 22.31 C ATOM 1509 CG2 ILE A 179 9.598 -22.241 0.991 1.00 22.63 C ATOM 1510 CD1 ILE A 179 11.674 -22.266 -1.363 1.00 22.93 C ATOM 1511 H ILE A 179 11.518 -25.753 0.299 1.00 0.00 H ATOM 1512 N GLY A 180 8.663 -25.561 2.000 1.00 23.61 N ATOM 1513 CA GLY A 180 7.417 -25.933 2.640 1.00 22.55 C ATOM 1514 C GLY A 180 7.628 -26.526 4.024 1.00 23.13 C ATOM 1515 O GLY A 180 6.960 -26.137 4.981 1.00 22.90 O ATOM 1516 H GLY A 180 8.927 -26.011 1.100 1.00 0.00 H ATOM 1517 N ARG A 181 8.555 -27.474 4.126 1.00 24.21 N ATOM 1518 CA ARG A 181 8.819 -28.152 5.390 1.00 24.38 C ATOM 1519 C ARG A 181 9.280 -27.171 6.460 1.00 26.91 C ATOM 1520 O ARG A 181 8.791 -27.204 7.586 1.00 25.08 O ATOM 1521 CB ARG A 181 9.868 -29.251 5.202 1.00 31.06 C ATOM 1522 CG ARG A 181 10.176 -30.031 6.471 1.00 42.14 C ATOM 1523 CD ARG A 181 11.086 -31.223 6.200 1.00 52.49 C ATOM 1524 NE ARG A 181 12.273 -30.855 5.429 1.00 55.57 N ATOM 1525 CZ ARG A 181 12.379 -30.947 4.105 1.00 58.79 C ATOM 1526 NH1 ARG A 181 11.369 -31.399 3.370 1.00 54.42 N ATOM 1527 NH2 ARG A 181 13.506 -30.584 3.509 1.00 59.24 N ATOM 1528 HE ARG A 181 13.095 -30.495 5.954 1.00 0.00 H ATOM 1529 HH12 ARG A 181 11.467 -31.465 2.337 1.00 0.00 H ATOM 1530 HH11 ARG A 181 10.481 -31.687 3.828 1.00 0.00 H ATOM 1531 HH22 ARG A 181 13.593 -30.654 2.475 1.00 0.00 H ATOM 1532 HH21 ARG A 181 14.303 -30.229 4.075 1.00 0.00 H ATOM 1533 H ARG A 181 9.105 -27.738 3.284 1.00 0.00 H ATOM 1534 N VAL A 182 10.214 -26.296 6.100 1.00 25.99 N ATOM 1535 CA VAL A 182 10.782 -25.350 7.058 1.00 24.39 C ATOM 1536 C VAL A 182 9.744 -24.301 7.449 1.00 22.67 C ATOM 1537 O VAL A 182 9.649 -23.913 8.611 1.00 23.70 O ATOM 1538 CB VAL A 182 12.042 -24.663 6.478 1.00 27.74 C ATOM 1539 CG1 VAL A 182 12.521 -23.526 7.378 1.00 27.13 C ATOM 1540 CG2 VAL A 182 13.153 -25.684 6.286 1.00 29.59 C ATOM 1541 H VAL A 182 10.548 -26.285 5.115 1.00 0.00 H ATOM 1542 N TYR A 183 8.963 -23.856 6.473 1.00 21.94 N ATOM 1543 CA TYR A 183 7.944 -22.841 6.702 1.00 20.55 C ATOM 1544 C TYR A 183 6.871 -23.333 7.664 1.00 21.22 C ATOM 1545 O TYR A 183 6.525 -22.644 8.625 1.00 21.80 O ATOM 1546 CB TYR A 183 7.324 -22.431 5.367 1.00 21.73 C ATOM 1547 CG TYR A 183 6.301 -21.321 5.423 1.00 21.12 C ATOM 1548 CD1 TYR A 183 6.459 -20.226 6.266 1.00 24.27 C ATOM 1549 CD2 TYR A 183 5.193 -21.349 4.591 1.00 22.85 C ATOM 1550 CE1 TYR A 183 5.517 -19.205 6.295 1.00 22.86 C ATOM 1551 CE2 TYR A 183 4.255 -20.337 4.611 1.00 22.26 C ATOM 1552 CZ TYR A 183 4.417 -19.268 5.459 1.00 21.76 C ATOM 1553 OH TYR A 183 3.473 -18.260 5.468 1.00 22.73 O ATOM 1554 HH TYR A 183 3.735 -17.570 6.128 1.00 0.00 H ATOM 1555 H TYR A 183 9.082 -24.244 5.515 1.00 0.00 H ATOM 1556 N LYS A 184 6.362 -24.535 7.423 1.00 21.51 N ATOM 1557 CA LYS A 184 5.342 -25.108 8.290 1.00 22.48 C ATOM 1558 C LYS A 184 5.871 -25.245 9.712 1.00 24.18 C ATOM 1559 O LYS A 184 5.164 -24.945 10.672 1.00 26.01 O ATOM 1560 CB LYS A 184 4.881 -26.469 7.763 1.00 25.03 C ATOM 1561 CG LYS A 184 3.902 -27.183 8.685 1.00 28.89 C ATOM 1562 CD LYS A 184 3.318 -28.420 8.025 1.00 26.58 C ATOM 1563 CE LYS A 184 2.459 -29.219 8.990 1.00 28.54 C ATOM 1564 NZ LYS A 184 1.912 -30.449 8.347 1.00 31.66 N ATOM 1565 HZ1 LYS A 184 1.327 -30.181 7.530 1.00 0.00 H ATOM 1566 HZ2 LYS A 184 2.698 -31.051 8.029 1.00 0.00 H ATOM 1567 HZ3 LYS A 184 1.331 -30.969 9.035 1.00 0.00 H ATOM 1568 H LYS A 184 6.697 -25.077 6.601 1.00 0.00 H ATOM 1569 N GLU A 185 7.117 -25.687 9.838 1.00 25.46 N ATOM 1570 CA GLU A 185 7.730 -25.866 11.149 1.00 27.10 C ATOM 1571 C GLU A 185 7.917 -24.527 11.849 1.00 26.45 C ATOM 1572 O GLU A 185 7.710 -24.413 13.056 1.00 27.90 O ATOM 1573 CB GLU A 185 9.080 -26.582 11.019 1.00 29.15 C ATOM 1574 CG GLU A 185 9.862 -26.711 12.325 1.00 32.81 C ATOM 1575 CD GLU A 185 9.123 -27.508 13.384 1.00 43.78 C ATOM 1576 OE1 GLU A 185 8.198 -28.271 13.027 1.00 50.65 O ATOM 1577 OE2 GLU A 185 9.468 -27.370 14.577 1.00 59.37 O ATOM 1578 H GLU A 185 7.667 -25.910 8.984 1.00 0.00 H ATOM 1579 N ARG A 186 8.314 -23.515 11.087 1.00 25.14 N ATOM 1580 CA ARG A 186 8.577 -22.196 11.649 1.00 25.27 C ATOM 1581 C ARG A 186 7.310 -21.584 12.232 1.00 25.13 C ATOM 1582 O ARG A 186 7.365 -20.863 13.229 1.00 26.41 O ATOM 1583 CB ARG A 186 9.163 -21.264 10.585 1.00 24.49 C ATOM 1584 CG ARG A 186 9.397 -19.841 11.070 1.00 25.25 C ATOM 1585 CD ARG A 186 10.395 -19.794 12.219 1.00 27.33 C ATOM 1586 NE ARG A 186 11.690 -20.347 11.829 1.00 30.41 N ATOM 1587 CZ ARG A 186 12.649 -19.661 11.211 1.00 39.63 C ATOM 1588 NH1 ARG A 186 12.473 -18.380 10.904 1.00 36.00 N ATOM 1589 NH2 ARG A 186 13.792 -20.258 10.898 1.00 31.36 N ATOM 1590 HE ARG A 186 11.875 -21.346 12.050 1.00 0.00 H ATOM 1591 HH12 ARG A 186 13.228 -17.852 10.421 1.00 0.00 H ATOM 1592 HH11 ARG A 186 11.580 -17.905 11.147 1.00 0.00 H ATOM 1593 HH22 ARG A 186 14.542 -19.724 10.415 1.00 0.00 H ATOM 1594 HH21 ARG A 186 13.937 -21.260 11.135 1.00 0.00 H ATOM 1595 H ARG A 186 8.440 -23.667 10.066 1.00 0.00 H ATOM 1596 N LEU A 187 6.166 -21.872 11.611 1.00 24.14 N ATOM 1597 CA LEU A 187 4.918 -21.306 12.112 1.00 26.21 C ATOM 1598 C LEU A 187 4.275 -22.192 13.181 1.00 25.52 C ATOM 1599 O LEU A 187 3.268 -21.814 13.779 1.00 26.65 O ATOM 1600 CB LEU A 187 3.947 -21.047 10.960 1.00 24.99 C ATOM 1601 CG LEU A 187 4.096 -19.628 10.394 1.00 24.20 C ATOM 1602 CD1 LEU A 187 5.497 -19.395 9.826 1.00 23.69 C ATOM 1603 CD2 LEU A 187 3.040 -19.334 9.343 1.00 24.53 C ATOM 1604 H LEU A 187 6.163 -22.494 10.778 1.00 0.00 H ATOM 1605 N GLY A 188 4.875 -23.349 13.445 1.00 26.11 N ATOM 1606 CA GLY A 188 4.422 -24.209 14.525 1.00 27.81 C ATOM 1607 C GLY A 188 3.056 -24.834 14.304 1.00 29.18 C ATOM 1608 O GLY A 188 2.335 -25.123 15.260 1.00 30.12 O ATOM 1609 H GLY A 188 5.686 -23.645 12.866 1.00 0.00 H ATOM 1610 N LEU A 189 2.691 -25.052 13.047 1.00 26.51 N ATOM 1611 CA LEU A 189 1.406 -25.667 12.747 1.00 26.97 C ATOM 1612 C LEU A 189 1.410 -27.111 13.230 1.00 36.67 C ATOM 1613 O LEU A 189 2.436 -27.782 13.140 1.00 30.19 O ATOM 1614 CB LEU A 189 1.108 -25.615 11.249 1.00 27.02 C ATOM 1615 CG LEU A 189 1.059 -24.224 10.616 1.00 28.94 C ATOM 1616 CD1 LEU A 189 0.766 -24.344 9.133 1.00 25.19 C ATOM 1617 CD2 LEU A 189 0.023 -23.345 11.300 1.00 40.88 C ATOM 1618 H LEU A 189 3.328 -24.782 12.270 1.00 0.00 H ATOM 1619 N PRO A 190 0.270 -27.593 13.756 1.00 37.79 N ATOM 1620 CA PRO A 190 0.229 -29.002 14.161 1.00 43.56 C ATOM 1621 C PRO A 190 0.463 -29.923 12.967 1.00 37.29 C ATOM 1622 O PRO A 190 0.005 -29.602 11.872 1.00 35.08 O ATOM 1623 CB PRO A 190 -1.188 -29.174 14.723 1.00 45.59 C ATOM 1624 CG PRO A 190 -1.647 -27.801 15.060 1.00 47.91 C ATOM 1625 CD PRO A 190 -0.992 -26.896 14.065 1.00 39.29 C ATOM 1626 N PRO A 191 1.165 -31.050 13.170 1.00 44.61 N ATOM 1627 CA PRO A 191 1.481 -31.950 12.053 1.00 42.78 C ATOM 1628 C PRO A 191 0.264 -32.354 11.217 1.00 42.11 C ATOM 1629 O PRO A 191 0.393 -32.508 10.002 1.00 43.90 O ATOM 1630 CB PRO A 191 2.093 -33.178 12.749 1.00 40.50 C ATOM 1631 CG PRO A 191 1.806 -33.011 14.211 1.00 55.21 C ATOM 1632 CD PRO A 191 1.715 -31.546 14.441 1.00 47.31 C ATOM 1633 N LYS A 192 -0.895 -32.508 11.851 1.00 37.80 N ATOM 1634 CA LYS A 192 -2.097 -32.938 11.138 1.00 37.33 C ATOM 1635 C LYS A 192 -2.731 -31.816 10.313 1.00 35.21 C ATOM 1636 O LYS A 192 -3.732 -32.037 9.629 1.00 36.67 O ATOM 1637 CB LYS A 192 -3.126 -33.504 12.121 1.00 41.90 C ATOM 1638 CG LYS A 192 -2.837 -34.934 12.551 1.00 55.04 C ATOM 1639 CD LYS A 192 -4.002 -35.533 13.323 1.00 57.14 C ATOM 1640 CE LYS A 192 -3.758 -36.996 13.654 1.00 58.82 C ATOM 1641 NZ LYS A 192 -4.925 -37.615 14.342 1.00 62.58 N ATOM 1642 HZ1 LYS A 192 -5.111 -37.107 15.230 1.00 0.00 H ATOM 1643 HZ2 LYS A 192 -5.761 -37.556 13.726 1.00 0.00 H ATOM 1644 HZ3 LYS A 192 -4.715 -38.612 14.549 1.00 0.00 H ATOM 1645 H LYS A 192 -0.947 -32.319 12.872 1.00 0.00 H ATOM 1646 N ILE A 193 -2.156 -30.618 10.378 1.00 33.97 N ATOM 1647 CA ILE A 193 -2.562 -29.534 9.494 1.00 32.25 C ATOM 1648 C ILE A 193 -1.704 -29.591 8.241 1.00 33.59 C ATOM 1649 O ILE A 193 -0.573 -29.103 8.217 1.00 42.32 O ATOM 1650 CB ILE A 193 -2.430 -28.145 10.162 1.00 32.38 C ATOM 1651 CG1 ILE A 193 -3.396 -28.027 11.346 1.00 37.53 C ATOM 1652 CG2 ILE A 193 -2.697 -27.027 9.154 1.00 37.84 C ATOM 1653 CD1 ILE A 193 -4.875 -28.093 10.970 1.00 41.73 C ATOM 1654 H ILE A 193 -1.401 -30.452 11.074 1.00 0.00 H ATOM 1655 N VAL A 194 -2.256 -30.207 7.203 1.00 30.22 N ATOM 1656 CA VAL A 194 -1.565 -30.369 5.936 1.00 29.05 C ATOM 1657 C VAL A 194 -1.730 -29.107 5.095 1.00 27.72 C ATOM 1658 O VAL A 194 -2.852 -28.655 4.863 1.00 28.41 O ATOM 1659 CB VAL A 194 -2.108 -31.599 5.173 1.00 30.09 C ATOM 1660 CG1 VAL A 194 -1.405 -31.767 3.833 1.00 33.71 C ATOM 1661 CG2 VAL A 194 -1.958 -32.859 6.023 1.00 31.95 C ATOM 1662 H VAL A 194 -3.219 -30.588 7.301 1.00 0.00 H ATOM 1663 N ILE A 195 -0.614 -28.530 4.653 1.00 26.59 N ATOM 1664 CA ILE A 195 -0.662 -27.363 3.775 1.00 25.69 C ATOM 1665 C ILE A 195 -0.258 -27.780 2.368 1.00 25.30 C ATOM 1666 O ILE A 195 0.487 -28.745 2.187 1.00 25.50 O ATOM 1667 CB ILE A 195 0.243 -26.206 4.271 1.00 25.23 C ATOM 1668 CG1 ILE A 195 1.728 -26.590 4.236 1.00 24.92 C ATOM 1669 CG2 ILE A 195 -0.186 -25.779 5.671 1.00 26.46 C ATOM 1670 CD1 ILE A 195 2.668 -25.426 4.542 1.00 26.11 C ATOM 1671 H ILE A 195 0.308 -28.917 4.938 1.00 0.00 H ATOM 1672 N GLY A 196 -0.758 -27.046 1.380 1.00 25.21 N ATOM 1673 CA GLY A 196 -0.572 -27.407 -0.012 1.00 26.83 C ATOM 1674 C GLY A 196 0.176 -26.364 -0.815 1.00 24.84 C ATOM 1675 O GLY A 196 0.109 -25.164 -0.525 1.00 24.59 O ATOM 1676 H GLY A 196 -1.298 -26.188 1.612 1.00 0.00 H ATOM 1677 N TYR A 197 0.894 -26.839 -1.828 1.00 25.03 N ATOM 1678 CA TYR A 197 1.573 -25.978 -2.783 1.00 24.94 C ATOM 1679 C TYR A 197 0.827 -25.996 -4.113 1.00 26.31 C ATOM 1680 O TYR A 197 0.691 -27.050 -4.728 1.00 27.37 O ATOM 1681 CB TYR A 197 3.020 -26.428 -2.983 1.00 26.50 C ATOM 1682 CG TYR A 197 3.822 -25.527 -3.894 1.00 24.85 C ATOM 1683 CD1 TYR A 197 4.554 -24.462 -3.384 1.00 24.29 C ATOM 1684 CD2 TYR A 197 3.849 -25.744 -5.265 1.00 26.01 C ATOM 1685 CE1 TYR A 197 5.291 -23.640 -4.215 1.00 24.77 C ATOM 1686 CE2 TYR A 197 4.581 -24.933 -6.101 1.00 26.49 C ATOM 1687 CZ TYR A 197 5.297 -23.882 -5.576 1.00 25.81 C ATOM 1688 OH TYR A 197 6.026 -23.074 -6.412 1.00 26.62 O ATOM 1689 HH TYR A 197 6.478 -22.372 -5.880 1.00 0.00 H ATOM 1690 H TYR A 197 0.973 -27.870 -1.942 1.00 0.00 H ATOM 1691 N GLN A 198 0.344 -24.829 -4.537 1.00 26.81 N ATOM 1692 CA GLN A 198 -0.369 -24.679 -5.808 1.00 28.71 C ATOM 1693 C GLN A 198 0.485 -23.998 -6.866 1.00 29.27 C ATOM 1694 O GLN A 198 1.138 -22.996 -6.584 1.00 28.53 O ATOM 1695 CB GLN A 198 -1.634 -23.835 -5.640 1.00 29.80 C ATOM 1696 CG GLN A 198 -2.555 -24.185 -4.499 1.00 39.73 C ATOM 1697 CD GLN A 198 -3.654 -23.144 -4.337 1.00 35.57 C ATOM 1698 OE1 GLN A 198 -3.848 -22.290 -5.207 1.00 48.69 O ATOM 1699 NE2 GLN A 198 -4.371 -23.204 -3.224 1.00 42.38 N ATOM 1700 HE22 GLN A 198 -4.173 -23.941 -2.517 1.00 0.00 H ATOM 1701 HE21 GLN A 198 -5.131 -22.514 -3.057 1.00 0.00 H ATOM 1702 H GLN A 198 0.479 -23.988 -3.940 1.00 0.00 H ATOM 1703 N SER A 199 0.459 -24.515 -8.090 1.00 22.81 N ATOM 1704 CA SER A 199 1.058 -23.827 -9.226 1.00 26.25 C ATOM 1705 C SER A 199 0.184 -22.637 -9.603 1.00 29.03 C ATOM 1706 O SER A 199 -1.042 -22.749 -9.600 1.00 29.03 O ATOM 1707 CB SER A 199 1.210 -24.778 -10.416 1.00 27.41 C ATOM 1708 OG SER A 199 1.552 -24.080 -11.602 1.00 28.87 O ATOM 1709 HG SER A 199 2.411 -23.606 -11.469 1.00 0.00 H ATOM 1710 H SER A 199 -0.001 -25.435 -8.241 1.00 0.00 H ATOM 1711 N HIS A 200 0.802 -21.505 -9.925 1.00 25.79 N ATOM 1712 CA HIS A 200 0.046 -20.324 -10.336 1.00 27.13 C ATOM 1713 C HIS A 200 -0.717 -20.589 -11.625 1.00 31.90 C ATOM 1714 O HIS A 200 -1.810 -20.063 -11.825 1.00 31.73 O ATOM 1715 CB HIS A 200 0.967 -19.121 -10.527 1.00 23.85 C ATOM 1716 CG HIS A 200 1.607 -18.645 -9.264 1.00 22.81 C ATOM 1717 ND1 HIS A 200 0.925 -18.563 -8.068 1.00 22.52 N ATOM 1718 CD2 HIS A 200 2.867 -18.227 -9.008 1.00 26.11 C ATOM 1719 CE1 HIS A 200 1.740 -18.112 -7.132 1.00 24.54 C ATOM 1720 NE2 HIS A 200 2.926 -17.904 -7.675 1.00 20.83 N ATOM 1721 H HIS A 200 1.840 -21.459 -9.884 1.00 0.00 H ATOM 1722 N ALA A 201 -0.134 -21.402 -12.500 1.00 30.85 N ATOM 1723 CA ALA A 201 -0.781 -21.739 -13.759 1.00 33.68 C ATOM 1724 C ALA A 201 -2.094 -22.470 -13.505 1.00 35.49 C ATOM 1725 O ALA A 201 -3.072 -22.269 -14.229 1.00 38.52 O ATOM 1726 CB ALA A 201 0.143 -22.582 -14.628 1.00 34.70 C ATOM 1727 H ALA A 201 0.800 -21.804 -12.281 1.00 0.00 H ATOM 1728 N ASP A 202 -2.118 -23.319 -12.480 1.00 34.73 N ATOM 1729 CA ASP A 202 -3.340 -24.026 -12.111 1.00 37.64 C ATOM 1730 C ASP A 202 -4.334 -23.074 -11.456 1.00 36.69 C ATOM 1731 O ASP A 202 -5.530 -23.126 -11.736 1.00 38.87 O ATOM 1732 CB ASP A 202 -3.040 -25.193 -11.166 1.00 34.63 C ATOM 1733 CG ASP A 202 -2.314 -26.337 -11.850 1.00 41.52 C ATOM 1734 OD1 ASP A 202 -2.327 -26.398 -13.097 1.00 47.18 O ATOM 1735 OD2 ASP A 202 -1.730 -27.180 -11.135 1.00 40.89 O ATOM 1736 H ASP A 202 -1.249 -23.481 -11.932 1.00 0.00 H ATOM 1737 N THR A 203 -3.836 -22.209 -10.576 1.00 36.06 N ATOM 1738 CA THR A 203 -4.695 -21.253 -9.889 1.00 33.63 C ATOM 1739 C THR A 203 -5.373 -20.307 -10.872 1.00 38.14 C ATOM 1740 O THR A 203 -6.552 -19.989 -10.725 1.00 40.47 O ATOM 1741 CB THR A 203 -3.906 -20.419 -8.869 1.00 30.07 C ATOM 1742 OG1 THR A 203 -3.126 -21.287 -8.037 1.00 29.05 O ATOM 1743 CG2 THR A 203 -4.852 -19.596 -8.003 1.00 34.22 C ATOM 1744 HG1 THR A 203 -2.619 -20.746 -7.381 1.00 0.00 H ATOM 1745 H THR A 203 -2.816 -22.215 -10.375 1.00 0.00 H ATOM 1746 N ALA A 204 -4.623 -19.863 -11.874 1.00 36.05 N ATOM 1747 CA ALA A 204 -5.134 -18.892 -12.838 1.00 39.13 C ATOM 1748 C ALA A 204 -6.325 -19.436 -13.618 1.00 43.24 C ATOM 1749 O ALA A 204 -7.153 -18.665 -14.106 1.00 44.99 O ATOM 1750 CB ALA A 204 -4.029 -18.468 -13.795 1.00 50.12 C ATOM 1751 H ALA A 204 -3.649 -20.215 -11.975 1.00 0.00 H ATOM 1752 N THR A 205 -6.413 -20.760 -13.727 1.00 50.44 N ATOM 1753 CA THR A 205 -7.477 -21.397 -14.498 1.00 64.08 C ATOM 1754 C THR A 205 -8.546 -22.042 -13.610 1.00 72.77 C ATOM 1755 O THR A 205 -9.445 -22.717 -14.110 1.00 75.23 O ATOM 1756 CB THR A 205 -6.904 -22.464 -15.454 1.00 67.62 C ATOM 1757 OG1 THR A 205 -6.155 -23.434 -14.712 1.00 63.34 O ATOM 1758 CG2 THR A 205 -6.002 -21.813 -16.494 1.00 69.11 C ATOM 1759 HG1 THR A 205 -5.410 -22.984 -14.241 1.00 0.00 H ATOM 1760 H THR A 205 -5.706 -21.356 -13.251 1.00 0.00 H ATOM 1761 N LYS A 206 -8.449 -21.829 -12.299 1.00 72.66 N ATOM 1762 CA LYS A 206 -9.486 -22.271 -11.367 1.00 78.49 C ATOM 1763 C LYS A 206 -9.601 -21.288 -10.190 1.00 83.42 C ATOM 1764 O LYS A 206 -9.892 -20.110 -10.399 1.00 82.84 O ATOM 1765 CB LYS A 206 -9.203 -23.700 -10.878 1.00 79.55 C ATOM 1766 CG LYS A 206 -9.535 -24.805 -11.884 1.00 84.76 C ATOM 1767 CD LYS A 206 -11.019 -24.835 -12.266 1.00 89.26 C ATOM 1768 CE LYS A 206 -11.920 -25.146 -11.074 1.00 90.18 C ATOM 1769 NZ LYS A 206 -13.365 -25.070 -11.426 1.00 91.50 N ATOM 1770 HZ1 LYS A 206 -13.589 -24.111 -11.760 1.00 0.00 H ATOM 1771 HZ2 LYS A 206 -13.574 -25.758 -12.178 1.00 0.00 H ATOM 1772 HZ3 LYS A 206 -13.937 -25.289 -10.586 1.00 0.00 H ATOM 1773 H LYS A 206 -7.613 -21.335 -11.928 1.00 0.00 H ATOM 1774 N SER A 207 -9.377 -21.760 -8.964 1.00 99.29 N ATOM 1775 CA SER A 207 -9.514 -20.919 -7.779 1.00100.01 C ATOM 1776 C SER A 207 -8.669 -21.486 -6.644 1.00 98.85 C ATOM 1777 O SER A 207 -8.534 -22.703 -6.518 1.00 98.73 O ATOM 1778 CB SER A 207 -10.979 -20.818 -7.349 1.00104.77 C ATOM 1779 OG SER A 207 -11.403 -22.007 -6.708 1.00103.77 O ATOM 1780 HG SER A 207 -11.307 -22.769 -7.332 1.00 0.00 H ATOM 1781 H SER A 207 -9.097 -22.755 -8.848 1.00 0.00 H ATOM 1782 N GLY A 208 -8.105 -20.607 -5.822 1.00 97.13 N ATOM 1783 CA GLY A 208 -7.185 -21.016 -4.776 1.00 92.25 C ATOM 1784 C GLY A 208 -7.732 -22.054 -3.815 1.00 93.52 C ATOM 1785 O GLY A 208 -6.961 -22.714 -3.112 1.00 86.89 O ATOM 1786 H GLY A 208 -8.329 -19.597 -5.931 1.00 0.00 H ATOM 1787 N SER A 209 -9.057 -22.193 -3.779 1.00 96.39 N ATOM 1788 CA SER A 209 -9.699 -23.176 -2.917 1.00 94.66 C ATOM 1789 C SER A 209 -9.881 -24.506 -3.639 1.00 89.43 C ATOM 1790 O SER A 209 -9.578 -25.566 -3.093 1.00 87.77 O ATOM 1791 CB SER A 209 -11.055 -22.652 -2.414 1.00 99.15 C ATOM 1792 OG SER A 209 -11.880 -22.251 -3.495 1.00101.42 O ATOM 1793 HG SER A 209 -12.744 -21.919 -3.144 1.00 0.00 H ATOM 1794 H SER A 209 -9.647 -21.584 -4.381 1.00 0.00 H ATOM 1795 N THR A 210 -10.366 -24.437 -4.873 1.00 88.54 N ATOM 1796 CA THR A 210 -10.620 -25.626 -5.679 1.00 86.05 C ATOM 1797 C THR A 210 -9.400 -26.021 -6.512 1.00 78.91 C ATOM 1798 O THR A 210 -9.445 -26.996 -7.264 1.00 78.91 O ATOM 1799 CB THR A 210 -11.822 -25.413 -6.624 1.00 91.15 C ATOM 1800 OG1 THR A 210 -11.492 -24.430 -7.613 1.00 93.57 O ATOM 1801 CG2 THR A 210 -13.047 -24.955 -5.841 1.00 94.44 C ATOM 1802 HG1 THR A 210 -11.270 -23.575 -7.166 1.00 0.00 H ATOM 1803 H THR A 210 -10.572 -23.502 -5.279 1.00 0.00 H ATOM 1804 N THR A 211 -8.314 -25.262 -6.380 1.00 71.01 N ATOM 1805 CA THR A 211 -7.067 -25.585 -7.066 1.00 65.15 C ATOM 1806 C THR A 211 -6.398 -26.770 -6.386 1.00 59.11 C ATOM 1807 O THR A 211 -6.113 -26.729 -5.190 1.00 52.03 O ATOM 1808 CB THR A 211 -6.091 -24.383 -7.085 1.00 64.69 C ATOM 1809 OG1 THR A 211 -6.604 -23.356 -7.941 1.00 77.24 O ATOM 1810 CG2 THR A 211 -4.714 -24.793 -7.596 1.00 59.33 C ATOM 1811 HG1 THR A 211 -7.486 -23.057 -7.604 1.00 0.00 H ATOM 1812 H THR A 211 -8.355 -24.418 -5.773 1.00 0.00 H ATOM 1813 N LYS A 212 -6.153 -27.827 -7.152 1.00 50.78 N ATOM 1814 CA LYS A 212 -5.468 -28.996 -6.625 1.00 43.21 C ATOM 1815 C LYS A 212 -3.991 -28.678 -6.394 1.00 38.37 C ATOM 1816 O LYS A 212 -3.443 -27.743 -6.979 1.00 44.93 O ATOM 1817 CB LYS A 212 -5.632 -30.191 -7.568 1.00 46.12 C ATOM 1818 CG LYS A 212 -6.978 -30.893 -7.423 1.00 55.07 C ATOM 1819 CD LYS A 212 -7.068 -32.146 -8.282 1.00 57.39 C ATOM 1820 CE LYS A 212 -8.292 -32.979 -7.923 1.00 53.23 C ATOM 1821 NZ LYS A 212 -9.572 -32.255 -8.161 1.00 65.38 N ATOM 1822 HZ1 LYS A 212 -9.593 -31.391 -7.582 1.00 0.00 H ATOM 1823 HZ2 LYS A 212 -9.643 -32.001 -9.167 1.00 0.00 H ATOM 1824 HZ3 LYS A 212 -10.370 -32.869 -7.900 1.00 0.00 H ATOM 1825 H LYS A 212 -6.457 -27.818 -8.147 1.00 0.00 H ATOM 1826 N ASN A 213 -3.358 -29.462 -5.532 1.00 35.67 N ATOM 1827 CA ASN A 213 -1.990 -29.197 -5.112 1.00 33.05 C ATOM 1828 C ASN A 213 -0.961 -29.997 -5.902 1.00 31.85 C ATOM 1829 O ASN A 213 -1.241 -31.111 -6.358 1.00 32.46 O ATOM 1830 CB ASN A 213 -1.847 -29.497 -3.619 1.00 31.37 C ATOM 1831 CG ASN A 213 -2.613 -28.515 -2.752 1.00 33.07 C ATOM 1832 OD1 ASN A 213 -2.569 -27.306 -2.977 1.00 34.33 O ATOM 1833 ND2 ASN A 213 -3.324 -29.033 -1.756 1.00 37.35 N ATOM 1834 HD22 ASN A 213 -3.332 -30.062 -1.603 1.00 0.00 H ATOM 1835 HD21 ASN A 213 -3.872 -28.410 -1.130 1.00 0.00 H ATOM 1836 H ASN A 213 -3.854 -30.290 -5.145 1.00 0.00 H ATOM 1837 N ARG A 214 0.224 -29.415 -6.073 1.00 30.85 N ATOM 1838 CA ARG A 214 1.361 -30.123 -6.657 1.00 29.93 C ATOM 1839 C ARG A 214 2.110 -30.892 -5.583 1.00 27.30 C ATOM 1840 O ARG A 214 2.667 -31.954 -5.849 1.00 27.96 O ATOM 1841 CB ARG A 214 2.322 -29.154 -7.346 1.00 30.70 C ATOM 1842 CG ARG A 214 1.736 -28.429 -8.534 1.00 36.76 C ATOM 1843 CD ARG A 214 1.400 -29.388 -9.654 1.00 40.59 C ATOM 1844 NE ARG A 214 0.909 -28.680 -10.832 1.00 40.08 N ATOM 1845 CZ ARG A 214 1.688 -28.146 -11.767 1.00 46.00 C ATOM 1846 NH1 ARG A 214 3.010 -28.234 -11.673 1.00 42.06 N ATOM 1847 NH2 ARG A 214 1.144 -27.519 -12.800 1.00 55.64 N ATOM 1848 HE ARG A 214 -0.120 -28.587 -10.948 1.00 0.00 H ATOM 1849 HH12 ARG A 214 3.613 -27.813 -12.409 1.00 0.00 H ATOM 1850 HH11 ARG A 214 3.442 -28.723 -10.864 1.00 0.00 H ATOM 1851 HH22 ARG A 214 1.752 -27.100 -13.533 1.00 0.00 H ATOM 1852 HH21 ARG A 214 0.110 -27.446 -12.878 1.00 0.00 H ATOM 1853 H ARG A 214 0.344 -28.424 -5.781 1.00 0.00 H ATOM 1854 N PHE A 215 2.139 -30.328 -4.376 1.00 26.27 N ATOM 1855 CA PHE A 215 2.787 -30.950 -3.224 1.00 25.16 C ATOM 1856 C PHE A 215 1.994 -30.668 -1.957 1.00 27.23 C ATOM 1857 O PHE A 215 1.256 -29.685 -1.887 1.00 26.64 O ATOM 1858 CB PHE A 215 4.216 -30.427 -3.030 1.00 25.76 C ATOM 1859 CG PHE A 215 5.036 -30.398 -4.287 1.00 26.96 C ATOM 1860 CD1 PHE A 215 5.262 -29.206 -4.949 1.00 26.39 C ATOM 1861 CD2 PHE A 215 5.591 -31.559 -4.799 1.00 30.52 C ATOM 1862 CE1 PHE A 215 6.019 -29.173 -6.104 1.00 27.93 C ATOM 1863 CE2 PHE A 215 6.348 -31.529 -5.950 1.00 29.94 C ATOM 1864 CZ PHE A 215 6.563 -30.335 -6.602 1.00 30.08 C ATOM 1865 H PHE A 215 1.680 -29.404 -4.248 1.00 0.00 H ATOM 1866 N VAL A 216 2.162 -31.527 -0.955 1.00 26.09 N ATOM 1867 CA VAL A 216 1.680 -31.242 0.394 1.00 28.52 C ATOM 1868 C VAL A 216 2.815 -31.414 1.389 1.00 31.67 C ATOM 1869 O VAL A 216 3.777 -32.126 1.110 1.00 27.98 O ATOM 1870 CB VAL A 216 0.513 -32.161 0.804 1.00 25.83 C ATOM 1871 CG1 VAL A 216 -0.669 -31.970 -0.128 1.00 28.87 C ATOM 1872 CG2 VAL A 216 0.954 -33.624 0.832 1.00 30.02 C ATOM 1873 H VAL A 216 2.650 -32.427 -1.137 1.00 0.00 H ATOM 1874 N VAL A 217 2.699 -30.762 2.543 1.00 24.55 N ATOM 1875 CA VAL A 217 3.635 -30.976 3.641 1.00 28.43 C ATOM 1876 C VAL A 217 2.919 -30.746 4.969 1.00 29.26 C ATOM 1877 O VAL A 217 3.370 -31.167 6.040 1.00 28.96 O ATOM 1878 CB VAL A 217 4.874 -30.050 3.530 1.00 31.98 C ATOM 1879 CG1 VAL A 217 4.495 -28.591 3.756 1.00 37.42 C ATOM 1880 CG2 VAL A 217 5.958 -30.485 4.506 1.00 45.51 C ATOM 1881 OXT VAL A 217 1.854 -30.131 5.008 1.00 29.89 O ATOM 1882 H VAL A 217 1.921 -30.083 2.665 1.00 0.00 H TER 1883 VAL A 217 HETATM 1884 O HOH 1 3.928 -13.746 -18.248 1.00 47.10 O HETATM 1885 O HOH 2 -0.109 -34.509 8.790 1.00 34.81 O HETATM 1886 O HOH 3 -8.861 3.170 -7.734 1.00 62.26 O HETATM 1887 O HOH 4 11.843 -27.316 15.096 1.00 44.25 O HETATM 1888 O HOH 5 20.606 -13.370 5.934 1.00 43.06 O HETATM 1889 O HOH 6 0.256 -2.784 -16.300 1.00 56.69 O HETATM 1890 O HOH 7 3.683 -27.935 -14.065 1.00 46.48 O HETATM 1891 O HOH 8 -11.861 2.905 1.087 1.00 41.88 O HETATM 1892 O HOH 9 -7.984 -18.367 -9.386 1.00 37.47 O HETATM 1893 O HOH 10 -1.374 -26.915 -8.322 1.00 29.54 O HETATM 1894 O HOH 11 -5.971 0.501 15.688 1.00 60.24 O HETATM 1895 O HOH 12 8.951 -28.286 16.971 1.00 45.30 O HETATM 1896 O HOH 13 7.845 3.182 12.721 1.00 27.13 O HETATM 1897 O HOH 14 -4.626 -34.126 8.279 1.00 31.05 O HETATM 1898 O HOH 15 5.360 3.897 -3.767 1.00 33.15 O HETATM 1899 O HOH 16 6.502 -29.170 11.150 1.00 39.25 O HETATM 1900 O HOH 17 14.802 3.432 9.982 1.00 44.97 O HETATM 1901 O HOH 18 3.662 5.173 13.119 1.00 37.73 O HETATM 1902 O HOH 19 -4.296 4.152 8.786 1.00 39.89 O HETATM 1903 O HOH 20 -3.453 -28.814 -13.960 1.00 47.17 O HETATM 1904 O HOH 21 -18.689 -18.140 11.487 1.00 42.99 O HETATM 1905 O HOH 22 -4.285 -31.601 -1.156 1.00 46.92 O HETATM 1906 O HOH 23 -4.694 -31.809 -4.739 1.00 48.82 O HETATM 1907 O HOH 24 7.324 -29.340 8.692 1.00 29.65 O HETATM 1908 O HOH 25 10.281 1.136 3.605 1.00 31.08 O HETATM 1909 O HOH 26 -5.999 5.287 -7.653 1.00 35.24 O HETATM 1910 O HOH 27 23.533 -7.212 8.548 1.00 43.99 O HETATM 1911 O HOH 28 -1.970 -2.521 17.069 1.00 62.08 O HETATM 1912 O HOH 29 19.576 1.828 2.878 1.00 63.18 O HETATM 1913 O HOH 30 11.006 1.662 6.215 1.00 31.07 O HETATM 1914 O HOH 31 21.251 -16.590 5.878 1.00 55.27 O HETATM 1915 O HOH 32 2.233 0.863 -7.655 1.00 24.80 O HETATM 1916 O HOH 33 13.494 -31.159 -0.177 1.00 42.10 O HETATM 1917 O HOH 34 4.853 -29.512 -9.817 1.00 39.64 O HETATM 1918 O HOH 35 6.711 3.554 3.998 1.00 40.37 O HETATM 1919 O HOH 36 6.016 -7.825 -16.338 1.00 61.70 O HETATM 1920 O HOH 37 -12.355 -32.899 -7.408 1.00 52.02 O HETATM 1921 O HOH 38 -7.801 1.257 -8.242 1.00 46.57 O HETATM 1922 O HOH 39 -14.380 -13.191 2.003 1.00 43.63 O HETATM 1923 O HOH 40 -5.597 -2.265 5.701 1.00 37.85 O HETATM 1924 O HOH 41 -7.548 -12.536 -13.091 1.00 55.44 O HETATM 1925 O HOH 42 -0.190 -25.195 16.937 1.00 50.04 O HETATM 1926 O HOH 43 -10.138 -24.443 -16.560 1.00 36.35 O HETATM 1927 O HOH 44 -1.575 -32.566 14.894 1.00 40.71 O HETATM 1928 O HOH 45 -12.057 -31.051 -9.852 1.00 57.71 O HETATM 1929 O HOH 46 -18.652 -12.387 11.377 1.00 58.76 O HETATM 1930 O HOH 47 24.039 -7.339 2.050 1.00 51.20 O HETATM 1931 O HOH 48 21.338 0.343 -4.241 1.00 65.53 O HETATM 1932 O HOH 49 -15.294 -13.429 16.433 1.00 42.87 O HETATM 1933 O HOH 50 -4.597 -28.942 2.094 1.00 48.35 O HETATM 1934 O HOH 51 26.502 -3.627 9.562 1.00 46.70 O HETATM 1935 O HOH 52 -6.681 -27.175 -10.458 1.00 58.05 O HETATM 1936 O HOH 53 -12.984 -20.998 13.447 1.00 40.92 O HETATM 1937 O HOH 54 -0.359 -17.862 -14.108 1.00 39.09 O HETATM 1938 O HOH 55 -0.260 -7.628 -18.110 1.00 41.47 O HETATM 1939 O HOH 56 -11.122 -31.075 -11.444 1.00 52.85 O HETATM 1940 O HOH 57 -13.686 -9.805 1.990 1.00 44.31 O HETATM 1941 O HOH 58 6.039 7.503 11.143 1.00 53.35 O HETATM 1942 O HOH 59 21.505 -1.264 -5.785 1.00 46.05 O HETATM 1943 O HOH 60 -7.716 -40.157 15.708 1.00 61.45 O HETATM 1944 O HOH 61 -11.611 -22.189 16.155 1.00 48.27 O HETATM 1945 O HOH 62 20.238 2.663 4.843 1.00 52.54 O HETATM 1946 O HOH 63 -5.990 -32.557 6.232 1.00 37.44 O HETATM 1947 O HOH 64 13.223 -28.040 12.963 1.00 46.84 O HETATM 1948 O HOH 65 -13.813 -6.317 9.846 1.00 41.33 O HETATM 1949 O HOH 66 -12.142 -9.313 -0.933 1.00 59.27 O HETATM 1950 O HOH 67 5.604 -17.166 -7.414 1.00 18.59 O HETATM 1951 O HOH 68 8.617 -6.216 -5.308 1.00 21.04 O HETATM 1952 O HOH 69 -1.227 -15.793 -2.390 1.00 23.06 O HETATM 1953 O HOH 70 13.493 0.573 13.313 1.00 22.42 O HETATM 1954 O HOH 71 7.930 -23.626 15.603 1.00 23.46 O HETATM 1955 O HOH 72 2.062 -9.197 11.928 1.00 24.63 O HETATM 1956 O HOH 73 16.857 -10.522 2.820 1.00 21.44 O HETATM 1957 O HOH 74 16.389 0.486 3.498 1.00 28.86 O HETATM 1958 O HOH 75 9.896 -4.046 -6.693 1.00 27.95 O HETATM 1959 O HOH 76 -0.617 -6.877 -1.930 1.00 27.30 O HETATM 1960 O HOH 77 15.695 -8.174 14.048 1.00 27.83 O HETATM 1961 O HOH 78 19.053 -10.981 5.669 1.00 26.08 O HETATM 1962 O HOH 79 10.293 -16.637 11.373 1.00 23.63 O HETATM 1963 O HOH 80 2.814 -21.660 -12.497 1.00 25.44 O HETATM 1964 O HOH 81 -1.989 -8.267 -3.900 1.00 33.28 O HETATM 1965 O HOH 82 11.914 -23.595 12.696 1.00 29.71 O HETATM 1966 O HOH 83 -9.189 -15.608 9.414 1.00 36.26 O HETATM 1967 O HOH 84 -1.908 -15.460 0.369 1.00 21.09 O HETATM 1968 O HOH 85 0.872 -22.341 15.328 1.00 33.88 O HETATM 1969 O HOH 86 2.217 -5.788 7.023 1.00 33.70 O HETATM 1970 O HOH 87 -5.241 -15.956 -2.166 1.00 28.58 O HETATM 1971 O HOH 88 -0.227 -10.026 -4.322 1.00 26.59 O HETATM 1972 O HOH 89 -1.339 -19.568 -6.901 1.00 27.57 O HETATM 1973 O HOH 90 8.458 -18.122 -12.901 1.00 28.74 O HETATM 1974 O HOH 91 16.051 -8.304 -5.987 1.00 38.12 O HETATM 1975 O HOH 92 10.404 -22.767 -6.683 1.00 24.16 O HETATM 1976 O HOH 93 3.692 -23.582 -14.488 1.00 31.02 O HETATM 1977 O HOH 94 -5.146 -30.042 6.897 1.00 34.91 O HETATM 1978 O HOH 95 -3.019 -14.133 -3.531 1.00 29.86 O HETATM 1979 O HOH 96 -2.493 -16.824 -6.059 1.00 30.49 O HETATM 1980 O HOH 97 -4.356 -26.254 4.724 1.00 39.29 O HETATM 1981 O HOH 98 -5.200 -16.437 -6.064 1.00 34.06 O HETATM 1982 O HOH 99 9.116 -2.991 -9.359 1.00 41.96 O HETATM 1983 O HOH 100 10.904 3.282 -0.636 1.00 34.46 O HETATM 1984 O HOH 101 -11.543 -16.010 0.141 1.00 33.74 O HETATM 1985 O HOH 102 -10.504 -17.283 2.067 1.00 41.57 O HETATM 1986 O HOH 103 14.012 -24.032 -9.068 1.00 49.34 O HETATM 1987 O HOH 104 -2.480 -11.529 -4.157 1.00 36.72 O HETATM 1988 O HOH 105 10.159 -1.168 -8.947 1.00 47.28 O HETATM 1989 O HOH 106 -11.300 -20.883 6.635 1.00 43.10 O HETATM 1990 O HOH 107 20.799 -7.027 13.516 1.00 48.49 O HETATM 1991 O HOH 108 16.510 -24.056 5.832 1.00 32.23 O HETATM 1992 O HOH 109 10.734 -9.885 -12.147 1.00 32.43 O HETATM 1993 O HOH 110 -0.519 -16.339 18.598 1.00 40.36 O HETATM 1994 O HOH 111 5.722 3.984 14.336 1.00 31.03 O HETATM 1995 O HOH 112 22.613 0.081 15.724 1.00 38.04 O HETATM 1996 O HOH 113 13.309 -16.801 2.409 1.00 26.45 O HETATM 1997 O HOH 114 1.386 -6.049 9.299 1.00 41.82 O HETATM 1998 O HOH 115 -4.262 -9.762 -3.521 1.00 40.95 O HETATM 1999 O HOH 116 18.399 1.623 15.446 1.00 38.34 O HETATM 2000 O HOH 117 20.646 -9.902 7.523 1.00 52.73 O HETATM 2001 O HOH 118 -1.457 -7.774 17.022 1.00 45.97 O HETATM 2002 O HOH 119 -12.378 -18.086 -1.873 1.00 47.62 O HETATM 2003 O HOH 120 7.782 4.079 -2.725 1.00 55.73 O HETATM 2004 O HOH 121 -2.893 -25.247 1.580 1.00 34.91 O HETATM 2005 O HOH 122 -3.160 -25.054 -1.560 1.00 35.37 O HETATM 2006 O HOH 123 -5.858 -5.234 5.950 1.00 31.69 O HETATM 2007 O HOH 124 16.210 -30.344 1.470 1.00 48.08 O HETATM 2008 O HOH 125 14.316 -29.690 5.792 1.00 43.69 O HETATM 2009 O HOH 126 17.737 -4.053 -5.653 1.00 50.98 O HETATM 2010 O HOH 127 6.306 -24.749 -14.623 1.00 44.56 O HETATM 2011 O HOH 128 17.478 -8.029 -3.595 1.00 37.96 O HETATM 2012 O HOH 129 0.400 -13.682 18.651 1.00 35.51 O HETATM 2013 O HOH 130 3.204 -10.932 16.864 1.00 41.40 O HETATM 2014 O HOH 131 3.018 -7.884 16.026 1.00 41.50 O HETATM 2015 O HOH 132 -1.592 -23.384 14.748 1.00 40.24 O HETATM 2016 O HOH 133 -2.171 -25.721 -15.375 1.00 49.26 O HETATM 2017 O HOH 134 14.299 -9.041 -9.165 1.00 48.06 O HETATM 2018 O HOH 135 20.040 -0.458 14.982 1.00 35.32 O HETATM 2019 O HOH 136 -10.357 -7.603 -6.972 1.00 48.33 O HETATM 2020 O HOH 137 3.826 -22.302 -17.003 1.00 40.02 O HETATM 2021 O HOH 138 1.286 -1.489 -9.712 1.00 47.50 O HETATM 2022 O HOH 139 -9.542 -25.471 13.853 1.00 56.33 O HETATM 2023 O HOH 140 15.776 0.201 -0.023 1.00 33.53 O HETATM 2024 O HOH 141 14.233 -14.800 0.943 1.00 28.43 O HETATM 2025 O HOH 142 -12.224 -4.332 -1.374 1.00 48.65 O HETATM 2026 O HOH 143 -5.677 -4.059 12.885 1.00 49.15 O HETATM 2027 O HOH 144 -6.137 -16.788 18.513 1.00 52.38 O HETATM 2028 O HOH 145 -1.413 -13.505 16.283 1.00 31.83 O HETATM 2029 O HOH 146 -3.683 -11.824 15.011 1.00 33.73 O HETATM 2030 O HOH 147 11.873 -24.312 10.550 1.00 38.52 O HETATM 2031 O HOH 148 14.609 -14.469 -7.014 1.00 41.52 O HETATM 2032 O HOH 149 -3.690 -23.551 10.837 1.00 43.99 O HETATM 2033 O HOH 150 13.871 2.567 3.400 1.00 47.58 O HETATM 2034 O HOH 151 -1.986 -3.710 11.235 1.00 47.13 O HETATM 2035 O HOH 152 -2.473 -5.419 10.246 1.00 44.39 O HETATM 2036 O HOH 153 -8.474 -32.353 6.936 1.00 52.22 O HETATM 2037 O HOH 154 21.613 -2.144 2.689 1.00 58.57 O HETATM 2038 O HOH 155 -3.676 -24.112 6.485 1.00 41.37 O HETATM 2039 O HOH 156 -18.936 0.809 -10.810 1.00 50.98 O HETATM 2040 O HOH 157 -7.678 -23.775 0.236 1.00 60.31 O HETATM 2041 O HOH 158 -1.767 -9.065 8.571 1.00 41.09 O HETATM 2042 O HOH 159 -6.972 -17.992 -3.658 1.00 46.08 O HETATM 2043 O HOH 160 21.258 -24.806 1.508 1.00 47.13 O HETATM 2044 O HOH 161 -7.596 -18.115 -6.490 1.00 42.83 O HETATM 2045 O HOH 162 -1.332 -6.798 8.813 1.00 58.20 O HETATM 2046 O HOH 163 -19.783 1.311 -8.336 1.00 58.52 O HETATM 2047 O HOH 164 -3.335 -1.527 6.733 1.00 46.62 O HETATM 2048 O HOH 165 -3.115 -3.241 8.611 1.00 47.02 O HETATM 2049 O HOH 166 13.400 -10.116 -11.809 1.00 59.23 O HETATM 2050 O HOH 167 -3.092 -2.651 13.556 1.00 50.26 O HETATM 2051 O HOH 168 2.319 -26.007 -14.535 1.00 45.77 O HETATM 2052 O HOH 169 17.278 -14.166 -4.424 1.00 68.37 O HETATM 2053 O HOH 170 -7.164 -28.987 -3.335 1.00 50.95 O HETATM 2054 O HOH 171 16.249 -21.140 9.028 1.00 44.34 O HETATM 2055 O HOH 172 21.432 -4.737 1.282 1.00 51.75 O HETATM 2056 O HOH 173 -3.718 -21.190 16.778 1.00 54.59 O HETATM 2057 O HOH 174 21.758 -6.050 -1.140 1.00 53.69 O HETATM 2058 O HOH 175 -0.783 -1.156 17.650 1.00 57.34 O HETATM 2059 O HOH 176 -19.449 -2.138 -11.485 1.00 58.64 O HETATM 2060 C15 UNN A 177 -1.885 2.019 3.816 1.00 0.07 C HETATM 2061 C22 UNN A 177 -1.609 2.057 5.183 1.00 -0.01 C HETATM 2062 C20 UNN A 177 -0.300 2.149 5.615 1.00 0.08 C HETATM 2063 CL21 UNN A 177 0.016 2.197 7.292 1.00 -0.06 CL HETATM 2064 C18 UNN A 177 0.748 2.194 4.685 1.00 0.08 C HETATM 2065 C17 UNN A 177 0.463 2.163 3.327 1.00 -0.02 C HETATM 2066 C16 UNN A 177 -0.842 2.074 2.896 1.00 -0.02 C HETATM 2067 H UNN A 177 -1.058 2.047 1.834 1.00 0.08 H HETATM 2068 H UNN A 177 1.269 2.209 2.604 1.00 0.07 H HETATM 2069 CL19 UNN A 177 2.413 2.306 5.209 1.00 -0.04 CL HETATM 2070 H UNN A 177 -2.418 2.014 5.903 1.00 0.08 H HETATM 2071 C14 UNN A 177 -3.237 1.942 3.347 1.00 0.21 C HETATM 2072 N13 UNN A 177 -3.579 2.485 2.158 1.00 -0.13 N HETATM 2073 C12 UNN A 177 -4.871 2.373 1.818 1.00 0.37 C HETATM 2074 N11 UNN A 177 -5.487 2.849 0.613 1.00 -0.08 N HETATM 2075 N10 UNN A 177 -6.816 2.694 0.491 1.00 -0.07 N HETATM 2076 C09 UNN A 177 -7.534 3.075 -0.593 1.00 0.17 C HETATM 2077 C08 UNN A 177 -6.832 3.490 -1.890 1.00 0.07 C HETATM 2078 C07 UNN A 177 -6.631 2.466 -2.922 1.00 0.02 C HETATM 2079 C28 UNN A 177 -5.518 1.646 -2.796 1.00 -0.04 C HETATM 2080 C29 UNN A 177 -5.264 0.645 -3.733 1.00 -0.06 C HETATM 2081 C01 UNN A 177 -6.121 0.471 -4.809 1.00 -0.06 C HETATM 2082 C02 UNN A 177 -7.222 1.278 -4.942 1.00 -0.03 C HETATM 2083 C03 UNN A 177 -7.491 2.288 -3.995 1.00 0.09 C HETATM 2084 N04 UNN A 177 -8.702 3.128 -4.208 1.00 -0.22 N HETATM 2085 O05 UNN A 177 -8.634 4.331 -4.194 1.00 -0.49 O HETATM 2086 O06 UNN A 177 -9.762 2.595 -4.418 1.00 -0.49 O HETATM 2087 H UNN A 177 -7.892 1.138 -5.783 1.00 0.07 H HETATM 2088 H UNN A 177 -5.921 -0.301 -5.543 1.00 0.06 H HETATM 2089 H UNN A 177 -4.397 0.004 -3.620 1.00 0.07 H HETATM 2090 H UNN A 177 -4.840 1.785 -1.962 1.00 0.06 H HETATM 2091 H UNN A 177 -7.428 4.297 -2.341 1.00 0.08 H HETATM 2092 H UNN A 177 -5.840 3.877 -1.615 1.00 0.08 H HETATM 2093 C25 UNN A 177 -9.031 2.758 -0.597 1.00 0.13 C HETATM 2094 O26 UNN A 177 -9.757 3.091 -1.577 1.00 -0.54 O HETATM 2095 O27 UNN A 177 -9.545 2.143 0.428 1.00 -0.54 O HETATM 2096 H UNN A 177 -4.931 3.293 -0.131 1.00 0.33 H HETATM 2097 S24 UNN A 177 -5.668 1.547 3.076 1.00 0.21 S HETATM 2098 C23 UNN A 177 -4.263 1.350 4.065 1.00 0.20 C HETATM 2099 H UNN A 177 -4.199 0.867 5.039 1.00 0.24 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 2060 2061 2066 2071 CONECT 2061 2060 2062 2070 CONECT 2062 2061 2063 2064 CONECT 2063 2062 CONECT 2064 2062 2065 2069 CONECT 2065 2064 2066 2068 CONECT 2066 2060 2065 2067 CONECT 2067 2066 CONECT 2068 2065 CONECT 2069 2064 CONECT 2070 2061 CONECT 2071 2060 2072 2098 CONECT 2072 2071 2073 CONECT 2073 2072 2074 2097 CONECT 2074 2073 2075 2096 CONECT 2075 2074 2076 CONECT 2076 2075 2077 2093 CONECT 2077 2076 2078 2091 2092 CONECT 2078 2077 2079 2083 CONECT 2079 2078 2080 2090 CONECT 2080 2079 2081 2089 CONECT 2081 2080 2082 2088 CONECT 2082 2081 2083 2087 CONECT 2083 2078 2082 2084 CONECT 2084 2083 2085 2086 CONECT 2085 2084 CONECT 2086 2084 CONECT 2087 2082 CONECT 2088 2081 CONECT 2089 2080 CONECT 2090 2079 CONECT 2091 2077 CONECT 2092 2077 CONECT 2093 2076 2094 2095 CONECT 2094 2093 CONECT 2095 2093 CONECT 2096 2074 CONECT 2097 2073 2098 CONECT 2098 2071 2097 2099 CONECT 2099 2098 MASTER 0 0 0 0 0 0 0 0 2098 1 44 15 END
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Structure:
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Protein
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Related entries of code: 4tpw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4dt6
RCSB PDB
PDBbind
240aa, >4DT6_1|Chain... *
4dum
RCSB PDB
PDBbind
240aa, >4DUM_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4tpw
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Eukaryotic translation initiation factor 4E eIF4E
Ligand Name
33R
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=20.5uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Proc.Natl.Acad.Sci.USA Vol. 111: pp. E3187-E3195
Ligand Properties
Formula
C
1
8
H
1
2
Cl
2
N
4
O
4
S
Molecular Weight
451.283
Exact Mass
449.996
No. of atoms
41
No. of bonds
43
Polar Surface Area
148.64
LOGP Value
6.97 (
Computed with XLOGP3
)
5.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
Canonical SMILES
OC(=O)/C(=N/Nc1scc(n1)c1ccc(c(c1)Cl)Cl)/Cc1ccccc1N(=O)=O
InChI String
InChI=1S/C18H12Cl2N4O4S/c19-12-6-5-10(7-13(12)20)15-9-29-18(21-15)23-22-14(17(25)26)8-11-3-1-2-4-16(11)24(27)28/h1-7,9H,8H2,(H,21,23)(H,25,26)/b22-14+
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P06730
Entrez Gene ID
NCBI Entrez Gene ID:
1977
ASD
Information of known allosteric effects of PDB entries
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