Browse entries in the PDBbind-CN Database
HEADER 6NWC_COMPLEX COMPND 6NWC_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 155 SER GLN CYS SER SER THR LEU VAL LYS HIS ILE LYS ALA SEQRES 2 A 155 PRO LEU HIS LEU VAL TRP SER ILE VAL ARG ARG PHE ASP SEQRES 3 A 155 GLU PRO GLN LYS TYR LYS PRO PHE ILE SER ARG CYS VAL SEQRES 4 A 155 VAL GLN GLY LYS LYS LEU GLU VAL GLY SER VAL ARG GLU SEQRES 5 A 155 VAL ASP LEU LYS SER GLY LEU PRO ALA THR LYS SER THR SEQRES 6 A 155 GLU VAL LEU GLU ILE LEU ASP ASP ASN GLU HIS ILE LEU SEQRES 7 A 155 GLY ILE ARG ILE VAL GLY GLY ASP HIS ARG LEU LYS ASN SEQRES 8 A 155 TYR SER SER THR ILE SER LEU HIS SER GLU THR ILE ASP SEQRES 9 A 155 GLY LYS THR GLY THR LEU ALA ILE GLU SER PHE VAL VAL SEQRES 10 A 155 ASP VAL PRO GLU GLY ASN THR LYS GLU GLU THR CYS PHE SEQRES 11 A 155 PHE VAL GLU ALA LEU ILE GLN CYS ASN LEU ASN SER LEU SEQRES 12 A 155 ALA ASP VAL THR GLU ARG LEU GLN ALA GLU SER MET HET L A 6P 45 ATOM 1 N SER A 25 38.000 33.912 1.128 1.00 76.11 N ATOM 2 CA SER A 25 37.421 34.411 -0.116 1.00 72.44 C ATOM 3 C SER A 25 36.931 33.257 -0.998 1.00 70.16 C ATOM 4 O SER A 25 36.936 33.350 -2.223 1.00 65.24 O ATOM 5 CB SER A 25 38.439 35.264 -0.879 1.00 76.32 C ATOM 6 OG SER A 25 39.511 34.467 -1.349 1.00 74.59 O ATOM 7 HG SER A 25 39.160 33.769 -1.956 1.00 0.00 H ATOM 8 HN3 SER A 25 38.807 33.293 0.910 1.00 0.00 H ATOM 9 HN2 SER A 25 37.281 33.374 1.652 1.00 0.00 H ATOM 10 HN1 SER A 25 38.323 34.715 1.705 1.00 0.00 H ATOM 11 N GLN A 26 36.503 32.170 -0.359 1.00 73.60 N ATOM 12 CA GLN A 26 35.924 31.038 -1.070 1.00 65.95 C ATOM 13 C GLN A 26 35.215 30.091 -0.115 1.00 69.64 C ATOM 14 O GLN A 26 35.773 29.713 0.919 1.00 70.18 O ATOM 15 CB GLN A 26 36.994 30.278 -1.835 1.00 65.59 C ATOM 16 CG GLN A 26 36.420 29.294 -2.811 1.00 66.58 C ATOM 17 CD GLN A 26 37.483 28.723 -3.703 1.00 73.20 C ATOM 18 OE1 GLN A 26 38.451 28.129 -3.223 1.00 77.03 O ATOM 19 NE2 GLN A 26 37.327 28.910 -5.016 1.00 71.51 N ATOM 20 HE22 GLN A 26 36.493 29.418 -5.373 1.00 0.00 H ATOM 21 HE21 GLN A 26 38.040 28.548 -5.681 1.00 0.00 H ATOM 22 H GLN A 26 36.584 32.128 0.677 1.00 0.00 H ATOM 23 N CYS A 27 33.993 29.691 -0.450 1.00 66.79 N ATOM 24 CA CYS A 27 33.232 28.778 0.389 1.00 66.63 C ATOM 25 C CYS A 27 32.794 27.576 -0.435 1.00 60.50 C ATOM 26 O CYS A 27 32.668 27.655 -1.660 1.00 54.73 O ATOM 27 CB CYS A 27 32.013 29.460 0.996 1.00 68.00 C ATOM 28 SG CYS A 27 30.840 29.962 -0.256 1.00 71.07 S ATOM 29 H CYS A 27 33.570 30.039 -1.334 1.00 0.00 H ATOM 30 N SER A 28 32.565 26.463 0.258 1.00 58.27 N ATOM 31 CA SER A 28 32.205 25.203 -0.373 1.00 54.32 C ATOM 32 C SER A 28 31.379 24.376 0.600 1.00 57.38 C ATOM 33 O SER A 28 31.650 24.369 1.807 1.00 54.32 O ATOM 34 CB SER A 28 33.446 24.423 -0.804 1.00 52.25 C ATOM 35 OG SER A 28 34.336 24.255 0.280 1.00 52.31 O ATOM 36 HG SER A 28 33.881 23.757 1.005 1.00 0.00 H ATOM 37 H SER A 28 32.647 26.496 1.294 1.00 0.00 H ATOM 38 N SER A 29 30.375 23.679 0.069 1.00 48.65 N ATOM 39 CA SER A 29 29.471 22.892 0.897 1.00 50.41 C ATOM 40 C SER A 29 28.859 21.783 0.060 1.00 49.13 C ATOM 41 O SER A 29 28.957 21.766 -1.170 1.00 51.07 O ATOM 42 CB SER A 29 28.342 23.739 1.512 1.00 49.73 C ATOM 43 OG SER A 29 28.847 24.755 2.354 1.00 64.26 O ATOM 44 HG SER A 29 28.093 25.276 2.729 1.00 0.00 H ATOM 45 H SER A 29 30.233 23.697 -0.961 1.00 0.00 H ATOM 46 N THR A 30 28.185 20.875 0.752 1.00 43.40 N ATOM 47 CA THR A 30 27.594 19.698 0.150 1.00 46.53 C ATOM 48 C THR A 30 26.183 19.543 0.676 1.00 46.06 C ATOM 49 O THR A 30 25.969 19.595 1.886 1.00 53.95 O ATOM 50 CB THR A 30 28.419 18.455 0.484 1.00 49.21 C ATOM 51 OG1 THR A 30 29.710 18.548 -0.142 1.00 49.59 O ATOM 52 CG2 THR A 30 27.699 17.207 0.016 1.00 46.33 C ATOM 53 HG1 THR A 30 29.596 18.613 -1.123 1.00 0.00 H ATOM 54 H THR A 30 28.075 21.015 1.777 1.00 0.00 H ATOM 55 N LEU A 31 25.231 19.330 -0.219 1.00 47.61 N ATOM 56 CA LEU A 31 23.843 19.115 0.163 1.00 47.56 C ATOM 57 C LEU A 31 23.382 17.753 -0.335 1.00 48.80 C ATOM 58 O LEU A 31 23.830 17.281 -1.386 1.00 46.13 O ATOM 59 CB LEU A 31 22.961 20.218 -0.402 1.00 50.61 C ATOM 60 CG LEU A 31 23.476 21.568 0.084 1.00 49.49 C ATOM 61 CD1 LEU A 31 24.290 22.264 -1.003 1.00 45.54 C ATOM 62 CD2 LEU A 31 22.323 22.415 0.521 1.00 55.37 C ATOM 63 H LEU A 31 25.483 19.316 -1.228 1.00 0.00 H ATOM 64 N VAL A 32 22.502 17.102 0.435 1.00 43.77 N ATOM 65 CA VAL A 32 22.085 15.741 0.125 1.00 41.90 C ATOM 66 C VAL A 32 20.574 15.608 0.234 1.00 46.21 C ATOM 67 O VAL A 32 19.905 16.364 0.938 1.00 39.88 O ATOM 68 CB VAL A 32 22.753 14.690 1.024 1.00 45.40 C ATOM 69 CG1 VAL A 32 24.261 14.800 0.925 1.00 48.00 C ATOM 70 CG2 VAL A 32 22.275 14.831 2.457 1.00 44.66 C ATOM 71 H VAL A 32 22.108 17.577 1.272 1.00 0.00 H ATOM 72 N LYS A 33 20.037 14.618 -0.480 1.00 42.27 N ATOM 73 CA LYS A 33 18.602 14.401 -0.483 1.00 41.69 C ATOM 74 C LYS A 33 18.357 12.932 -0.756 1.00 44.85 C ATOM 75 O LYS A 33 18.890 12.389 -1.728 1.00 44.00 O ATOM 76 CB LYS A 33 17.911 15.275 -1.536 1.00 44.86 C ATOM 77 CG LYS A 33 16.400 15.137 -1.585 1.00 45.12 C ATOM 78 CD LYS A 33 15.744 15.711 -0.323 1.00 48.19 C ATOM 79 CE LYS A 33 14.226 15.545 -0.350 1.00 47.01 C ATOM 80 NZ LYS A 33 13.550 16.170 0.811 1.00 52.14 N ATOM 81 HZ1 LYS A 33 13.899 15.735 1.689 1.00 0.00 H ATOM 82 HZ2 LYS A 33 13.755 17.190 0.822 1.00 0.00 H ATOM 83 HZ3 LYS A 33 12.523 16.022 0.734 1.00 0.00 H ATOM 84 H LYS A 33 20.653 13.995 -1.040 1.00 0.00 H ATOM 85 N HIS A 34 17.591 12.289 0.122 1.00 44.84 N ATOM 86 CA HIS A 34 17.140 10.921 -0.097 1.00 51.08 C ATOM 87 C HIS A 34 15.866 10.954 -0.921 1.00 49.64 C ATOM 88 O HIS A 34 14.917 11.670 -0.567 1.00 45.02 O ATOM 89 CB HIS A 34 16.899 10.203 1.230 1.00 48.53 C ATOM 90 CG HIS A 34 18.151 9.960 2.004 1.00 50.01 C ATOM 91 ND1 HIS A 34 18.863 8.783 1.913 1.00 54.42 N ATOM 92 CD2 HIS A 34 18.842 10.756 2.856 1.00 48.38 C ATOM 93 CE1 HIS A 34 19.931 8.859 2.689 1.00 56.34 C ATOM 94 NE2 HIS A 34 19.940 10.044 3.276 1.00 49.36 N ATOM 95 H HIS A 34 17.305 12.779 0.993 1.00 0.00 H ATOM 96 N ILE A 35 15.848 10.184 -2.016 1.00 43.94 N ATOM 97 CA ILE A 35 14.759 10.227 -2.991 1.00 48.57 C ATOM 98 C ILE A 35 14.155 8.836 -3.144 1.00 52.07 C ATOM 99 O ILE A 35 14.879 7.862 -3.385 1.00 50.71 O ATOM 100 CB ILE A 35 15.245 10.750 -4.355 1.00 45.50 C ATOM 101 CG1 ILE A 35 15.965 12.084 -4.198 1.00 43.37 C ATOM 102 CG2 ILE A 35 14.086 10.860 -5.316 1.00 42.47 C ATOM 103 CD1 ILE A 35 16.608 12.556 -5.489 1.00 41.47 C ATOM 104 H ILE A 35 16.640 9.530 -2.180 1.00 0.00 H ATOM 105 N LYS A 36 12.825 8.753 -3.053 1.00 57.31 N ATOM 106 CA LYS A 36 12.110 7.473 -3.138 1.00 55.19 C ATOM 107 C LYS A 36 11.762 7.133 -4.591 1.00 55.06 C ATOM 108 O LYS A 36 10.602 7.021 -4.978 1.00 57.72 O ATOM 109 CB LYS A 36 10.858 7.514 -2.268 1.00 53.86 C ATOM 110 CG LYS A 36 11.126 7.502 -0.771 1.00 55.80 C ATOM 111 CD LYS A 36 10.028 8.249 -0.024 1.00 57.05 C ATOM 112 CE LYS A 36 10.310 8.283 1.460 1.00 65.23 C ATOM 113 NZ LYS A 36 9.902 9.588 2.054 1.00 69.52 N ATOM 114 HZ1 LYS A 36 10.432 10.357 1.596 1.00 0.00 H ATOM 115 HZ2 LYS A 36 8.883 9.732 1.905 1.00 0.00 H ATOM 116 HZ3 LYS A 36 10.107 9.583 3.074 1.00 0.00 H ATOM 117 H LYS A 36 12.276 9.626 -2.917 1.00 0.00 H ATOM 118 N ALA A 37 12.805 6.970 -5.398 1.00 50.26 N ATOM 119 CA ALA A 37 12.678 6.609 -6.801 1.00 49.16 C ATOM 120 C ALA A 37 13.925 5.839 -7.204 1.00 50.52 C ATOM 121 O ALA A 37 14.971 5.964 -6.557 1.00 54.60 O ATOM 122 CB ALA A 37 12.507 7.849 -7.687 1.00 52.26 C ATOM 123 H ALA A 37 13.759 7.107 -5.007 1.00 0.00 H ATOM 124 N PRO A 38 13.846 5.024 -8.252 1.00 50.63 N ATOM 125 CA PRO A 38 15.039 4.271 -8.670 1.00 54.50 C ATOM 126 C PRO A 38 16.100 5.183 -9.280 1.00 50.56 C ATOM 127 O PRO A 38 15.788 6.148 -9.983 1.00 51.90 O ATOM 128 CB PRO A 38 14.489 3.273 -9.700 1.00 48.84 C ATOM 129 CG PRO A 38 13.008 3.235 -9.470 1.00 51.04 C ATOM 130 CD PRO A 38 12.638 4.597 -8.983 1.00 51.14 C ATOM 131 N LEU A 39 17.367 4.852 -9.017 1.00 49.34 N ATOM 132 CA LEU A 39 18.467 5.683 -9.503 1.00 51.59 C ATOM 133 C LEU A 39 18.403 5.882 -11.014 1.00 50.56 C ATOM 134 O LEU A 39 18.659 6.988 -11.509 1.00 45.58 O ATOM 135 CB LEU A 39 19.814 5.080 -9.095 1.00 50.88 C ATOM 136 CG LEU A 39 21.076 5.853 -9.504 1.00 47.29 C ATOM 137 CD1 LEU A 39 22.090 5.914 -8.384 1.00 50.50 C ATOM 138 CD2 LEU A 39 21.706 5.201 -10.688 1.00 49.15 C ATOM 139 H LEU A 39 17.572 3.997 -8.462 1.00 0.00 H ATOM 140 N HIS A 40 18.055 4.837 -11.769 1.00 55.18 N ATOM 141 CA HIS A 40 17.996 5.013 -13.218 1.00 54.40 C ATOM 142 C HIS A 40 16.960 6.064 -13.589 1.00 50.78 C ATOM 143 O HIS A 40 17.155 6.816 -14.554 1.00 50.14 O ATOM 144 CB HIS A 40 17.732 3.676 -13.931 1.00 54.89 C ATOM 145 CG HIS A 40 16.529 2.934 -13.432 1.00 66.60 C ATOM 146 ND1 HIS A 40 15.255 3.168 -13.912 1.00 65.27 N ATOM 147 CD2 HIS A 40 16.407 1.951 -12.503 1.00 70.19 C ATOM 148 CE1 HIS A 40 14.402 2.368 -13.294 1.00 64.07 C ATOM 149 NE2 HIS A 40 15.074 1.619 -12.436 1.00 69.06 N ATOM 150 H HIS A 40 17.831 3.919 -11.335 1.00 0.00 H ATOM 151 N LEU A 41 15.908 6.193 -12.778 1.00 49.96 N ATOM 152 CA LEU A 41 14.863 7.179 -13.023 1.00 51.17 C ATOM 153 C LEU A 41 15.302 8.587 -12.626 1.00 48.79 C ATOM 154 O LEU A 41 14.984 9.559 -13.319 1.00 46.83 O ATOM 155 CB LEU A 41 13.592 6.779 -12.273 1.00 44.68 C ATOM 156 CG LEU A 41 12.420 7.750 -12.398 1.00 51.14 C ATOM 157 CD1 LEU A 41 11.935 7.847 -13.838 1.00 49.14 C ATOM 158 CD2 LEU A 41 11.280 7.365 -11.477 1.00 53.99 C ATOM 159 H LEU A 41 15.832 5.572 -11.947 1.00 0.00 H ATOM 160 N VAL A 42 16.010 8.730 -11.507 1.00 50.49 N ATOM 161 CA VAL A 42 16.507 10.053 -11.141 1.00 47.54 C ATOM 162 C VAL A 42 17.589 10.493 -12.116 1.00 49.01 C ATOM 163 O VAL A 42 17.654 11.663 -12.512 1.00 50.41 O ATOM 164 CB VAL A 42 17.013 10.050 -9.688 1.00 47.90 C ATOM 165 CG1 VAL A 42 17.588 11.411 -9.313 1.00 44.02 C ATOM 166 CG2 VAL A 42 15.894 9.665 -8.750 1.00 48.14 C ATOM 167 H VAL A 42 16.207 7.908 -10.901 1.00 0.00 H ATOM 168 N TRP A 43 18.445 9.561 -12.537 1.00 48.12 N ATOM 169 CA TRP A 43 19.518 9.923 -13.452 1.00 46.49 C ATOM 170 C TRP A 43 18.969 10.420 -14.786 1.00 51.83 C ATOM 171 O TRP A 43 19.504 11.375 -15.373 1.00 46.16 O ATOM 172 CB TRP A 43 20.459 8.741 -13.661 1.00 46.79 C ATOM 173 CG TRP A 43 21.584 9.094 -14.574 1.00 48.43 C ATOM 174 CD1 TRP A 43 21.855 8.540 -15.787 1.00 49.43 C ATOM 175 CD2 TRP A 43 22.570 10.125 -14.369 1.00 50.84 C ATOM 176 NE1 TRP A 43 22.959 9.145 -16.347 1.00 49.87 N ATOM 177 CE2 TRP A 43 23.413 10.125 -15.501 1.00 48.21 C ATOM 178 CE3 TRP A 43 22.818 11.051 -13.340 1.00 44.81 C ATOM 179 CZ2 TRP A 43 24.496 11.004 -15.631 1.00 49.07 C ATOM 180 CZ3 TRP A 43 23.896 11.928 -13.468 1.00 44.23 C ATOM 181 CH2 TRP A 43 24.727 11.892 -14.604 1.00 46.87 C ATOM 182 HE1 TRP A 43 23.381 8.898 -17.265 1.00 0.00 H ATOM 183 H TRP A 43 18.346 8.578 -12.212 1.00 0.00 H ATOM 184 N SER A 44 17.888 9.803 -15.270 1.00 48.03 N ATOM 185 CA SER A 44 17.297 10.249 -16.523 1.00 48.72 C ATOM 186 C SER A 44 16.847 11.701 -16.448 1.00 49.99 C ATOM 187 O SER A 44 16.777 12.371 -17.484 1.00 52.26 O ATOM 188 CB SER A 44 16.120 9.336 -16.924 1.00 48.53 C ATOM 189 OG SER A 44 15.027 9.420 -16.006 1.00 50.53 O ATOM 190 HG SER A 44 15.333 9.147 -15.105 1.00 0.00 H ATOM 191 H SER A 44 17.469 9.005 -14.752 1.00 0.00 H ATOM 192 N ILE A 45 16.551 12.212 -15.256 1.00 46.41 N ATOM 193 CA ILE A 45 16.220 13.628 -15.136 1.00 43.22 C ATOM 194 C ILE A 45 17.473 14.470 -14.921 1.00 46.74 C ATOM 195 O ILE A 45 17.649 15.503 -15.573 1.00 45.77 O ATOM 196 CB ILE A 45 15.194 13.834 -14.008 1.00 46.46 C ATOM 197 CG1 ILE A 45 13.866 13.173 -14.368 1.00 50.91 C ATOM 198 CG2 ILE A 45 14.981 15.318 -13.731 1.00 50.99 C ATOM 199 CD1 ILE A 45 13.188 13.778 -15.604 1.00 50.48 C ATOM 200 H ILE A 45 16.556 11.604 -14.412 1.00 0.00 H ATOM 201 N VAL A 46 18.372 14.016 -14.041 1.00 45.01 N ATOM 202 CA VAL A 46 19.525 14.821 -13.647 1.00 41.68 C ATOM 203 C VAL A 46 20.493 15.040 -14.809 1.00 46.63 C ATOM 204 O VAL A 46 21.133 16.098 -14.901 1.00 47.89 O ATOM 205 CB VAL A 46 20.230 14.162 -12.448 1.00 43.89 C ATOM 206 CG1 VAL A 46 21.591 14.810 -12.207 1.00 37.32 C ATOM 207 CG2 VAL A 46 19.355 14.268 -11.192 1.00 46.38 C ATOM 208 H VAL A 46 18.247 13.069 -13.628 1.00 0.00 H ATOM 209 N ARG A 47 20.620 14.071 -15.719 1.00 43.63 N ATOM 210 CA ARG A 47 21.621 14.213 -16.774 1.00 44.97 C ATOM 211 C ARG A 47 21.205 15.194 -17.863 1.00 45.29 C ATOM 212 O ARG A 47 22.029 15.529 -18.714 1.00 46.91 O ATOM 213 CB ARG A 47 21.922 12.851 -17.411 1.00 45.68 C ATOM 214 CG ARG A 47 20.793 12.312 -18.298 1.00 41.55 C ATOM 215 CD ARG A 47 20.996 10.837 -18.657 1.00 50.42 C ATOM 216 NE ARG A 47 22.138 10.605 -19.547 1.00 53.33 N ATOM 217 CZ ARG A 47 22.117 10.836 -20.857 1.00 52.76 C ATOM 218 NH1 ARG A 47 21.015 11.315 -21.411 1.00 50.60 N ATOM 219 NH2 ARG A 47 23.195 10.605 -21.609 1.00 50.52 N ATOM 220 HE ARG A 47 23.017 10.238 -19.129 1.00 0.00 H ATOM 221 HH12 ARG A 47 20.985 11.500 -22.434 1.00 0.00 H ATOM 222 HH11 ARG A 47 20.178 11.506 -20.823 1.00 0.00 H ATOM 223 HH22 ARG A 47 23.165 10.790 -22.632 1.00 0.00 H ATOM 224 HH21 ARG A 47 24.065 10.240 -21.172 1.00 0.00 H ATOM 225 H ARG A 47 20.015 13.226 -15.677 1.00 0.00 H ATOM 226 N ARG A 48 19.956 15.646 -17.878 1.00 45.95 N ATOM 227 CA ARG A 48 19.476 16.489 -18.968 1.00 44.32 C ATOM 228 C ARG A 48 20.070 17.879 -18.793 1.00 47.20 C ATOM 229 O ARG A 48 19.437 18.810 -18.292 1.00 45.85 O ATOM 230 CB ARG A 48 17.952 16.525 -19.009 1.00 50.11 C ATOM 231 CG ARG A 48 17.296 15.198 -19.441 1.00 52.09 C ATOM 232 CD ARG A 48 17.917 14.648 -20.720 1.00 48.74 C ATOM 233 NE ARG A 48 17.743 15.568 -21.836 1.00 55.51 N ATOM 234 CZ ARG A 48 16.684 15.586 -22.649 1.00 62.70 C ATOM 235 NH1 ARG A 48 15.687 14.721 -22.480 1.00 60.47 N ATOM 236 NH2 ARG A 48 16.620 16.479 -23.636 1.00 58.26 N ATOM 237 HE ARG A 48 18.498 16.261 -22.012 1.00 0.00 H ATOM 238 HH12 ARG A 48 14.866 14.742 -23.118 1.00 0.00 H ATOM 239 HH11 ARG A 48 15.729 14.023 -21.710 1.00 0.00 H ATOM 240 HH22 ARG A 48 15.796 16.495 -24.270 1.00 0.00 H ATOM 241 HH21 ARG A 48 17.394 17.160 -23.772 1.00 0.00 H ATOM 242 H ARG A 48 19.311 15.395 -17.102 1.00 0.00 H ATOM 243 N PHE A 49 21.323 18.021 -19.231 1.00 51.73 N ATOM 244 CA PHE A 49 22.000 19.308 -19.121 1.00 49.95 C ATOM 245 C PHE A 49 21.202 20.406 -19.808 1.00 51.12 C ATOM 246 O PHE A 49 21.260 21.572 -19.396 1.00 53.69 O ATOM 247 CB PHE A 49 23.410 19.190 -19.705 1.00 47.67 C ATOM 248 CG PHE A 49 24.158 20.486 -19.780 1.00 44.78 C ATOM 249 CD1 PHE A 49 24.381 21.095 -20.997 1.00 44.59 C ATOM 250 CD2 PHE A 49 24.641 21.095 -18.634 1.00 47.06 C ATOM 251 CE1 PHE A 49 25.075 22.295 -21.077 1.00 46.16 C ATOM 252 CE2 PHE A 49 25.340 22.289 -18.699 1.00 43.49 C ATOM 253 CZ PHE A 49 25.559 22.886 -19.922 1.00 47.47 C ATOM 254 H PHE A 49 21.819 17.210 -19.653 1.00 0.00 H ATOM 255 N ASP A 50 20.414 20.043 -20.815 1.00 49.03 N ATOM 256 CA ASP A 50 19.668 20.990 -21.625 1.00 51.12 C ATOM 257 C ASP A 50 18.277 21.292 -21.087 1.00 51.78 C ATOM 258 O ASP A 50 17.616 22.189 -21.610 1.00 56.13 O ATOM 259 CB ASP A 50 19.546 20.448 -23.045 1.00 60.02 C ATOM 260 CG ASP A 50 18.887 19.082 -23.085 1.00 58.97 C ATOM 261 OD1 ASP A 50 19.087 18.298 -22.124 1.00 53.33 O ATOM 262 OD2 ASP A 50 18.166 18.802 -24.069 1.00 58.12 O ATOM 263 H ASP A 50 20.327 19.030 -21.034 1.00 0.00 H ATOM 264 N GLU A 51 17.807 20.577 -20.067 1.00 56.37 N ATOM 265 CA GLU A 51 16.479 20.809 -19.493 1.00 55.18 C ATOM 266 C GLU A 51 16.547 20.861 -17.973 1.00 55.73 C ATOM 267 O GLU A 51 15.907 20.066 -17.279 1.00 55.13 O ATOM 268 CB GLU A 51 15.500 19.730 -19.949 1.00 56.38 C ATOM 269 CG GLU A 51 15.266 19.726 -21.451 1.00 63.64 C ATOM 270 CD GLU A 51 14.187 18.749 -21.871 1.00 65.86 C ATOM 271 OE1 GLU A 51 13.800 17.908 -21.037 1.00 61.54 O ATOM 272 OE2 GLU A 51 13.724 18.831 -23.033 1.00 68.14 O ATOM 273 H GLU A 51 18.404 19.827 -19.663 1.00 0.00 H ATOM 274 N PRO A 52 17.311 21.797 -17.413 1.00 53.41 N ATOM 275 CA PRO A 52 17.327 21.906 -15.950 1.00 50.84 C ATOM 276 C PRO A 52 15.983 22.337 -15.397 1.00 53.98 C ATOM 277 O PRO A 52 15.618 21.918 -14.291 1.00 54.68 O ATOM 278 CB PRO A 52 18.417 22.951 -15.693 1.00 52.38 C ATOM 279 CG PRO A 52 18.374 23.820 -16.929 1.00 50.18 C ATOM 280 CD PRO A 52 18.086 22.873 -18.056 1.00 50.27 C ATOM 281 N GLN A 53 15.222 23.137 -16.152 1.00 52.94 N ATOM 282 CA GLN A 53 13.914 23.604 -15.715 1.00 50.12 C ATOM 283 C GLN A 53 12.937 22.462 -15.473 1.00 53.79 C ATOM 284 O GLN A 53 11.914 22.681 -14.817 1.00 57.22 O ATOM 285 CB GLN A 53 13.340 24.595 -16.738 1.00 56.75 C ATOM 286 CG GLN A 53 12.749 23.987 -18.029 1.00 47.10 C ATOM 287 CD GLN A 53 13.780 23.714 -19.134 1.00 57.98 C ATOM 288 OE1 GLN A 53 14.993 23.846 -18.936 1.00 54.32 O ATOM 289 NE2 GLN A 53 13.287 23.335 -20.311 1.00 55.92 N ATOM 290 HE22 GLN A 53 12.259 23.236 -20.437 1.00 0.00 H ATOM 291 HE21 GLN A 53 13.929 23.138 -21.105 1.00 0.00 H ATOM 292 H GLN A 53 15.577 23.436 -17.083 1.00 0.00 H ATOM 293 N LYS A 54 13.234 21.254 -15.967 1.00 51.67 N ATOM 294 CA LYS A 54 12.427 20.082 -15.645 1.00 52.87 C ATOM 295 C LYS A 54 12.205 19.907 -14.151 1.00 57.64 C ATOM 296 O LYS A 54 11.261 19.211 -13.763 1.00 61.17 O ATOM 297 CB LYS A 54 13.095 18.808 -16.164 1.00 56.69 C ATOM 298 CG LYS A 54 12.645 18.327 -17.527 1.00 64.99 C ATOM 299 CD LYS A 54 13.519 17.157 -17.992 1.00 62.43 C ATOM 300 CE LYS A 54 12.682 16.111 -18.701 1.00 68.51 C ATOM 301 NZ LYS A 54 11.708 16.740 -19.656 1.00 71.66 N ATOM 302 HZ1 LYS A 54 11.070 17.373 -19.132 1.00 0.00 H ATOM 303 HZ2 LYS A 54 12.229 17.286 -20.372 1.00 0.00 H ATOM 304 HZ3 LYS A 54 11.152 15.995 -20.123 1.00 0.00 H ATOM 305 H LYS A 54 14.057 21.149 -16.594 1.00 0.00 H ATOM 306 N TYR A 55 13.062 20.484 -13.298 1.00 52.51 N ATOM 307 CA TYR A 55 12.865 20.318 -11.864 1.00 51.91 C ATOM 308 C TYR A 55 13.447 21.451 -11.040 1.00 56.02 C ATOM 309 O TYR A 55 13.230 21.499 -9.826 1.00 53.06 O ATOM 310 CB TYR A 55 13.474 19.008 -11.379 1.00 51.41 C ATOM 311 CG TYR A 55 14.982 18.989 -11.342 1.00 49.22 C ATOM 312 CD1 TYR A 55 15.682 19.443 -10.233 1.00 51.66 C ATOM 313 CD2 TYR A 55 15.701 18.486 -12.403 1.00 49.98 C ATOM 314 CE1 TYR A 55 17.056 19.411 -10.198 1.00 48.83 C ATOM 315 CE2 TYR A 55 17.069 18.439 -12.371 1.00 51.27 C ATOM 316 CZ TYR A 55 17.744 18.897 -11.268 1.00 45.56 C ATOM 317 OH TYR A 55 19.121 18.842 -11.257 1.00 47.63 O ATOM 318 HH TYR A 55 19.478 19.379 -12.008 1.00 0.00 H ATOM 319 H TYR A 55 13.861 21.045 -13.656 1.00 0.00 H ATOM 320 N LYS A 56 14.222 22.335 -11.660 1.00 55.59 N ATOM 321 CA LYS A 56 14.809 23.443 -10.922 1.00 54.39 C ATOM 322 C LYS A 56 13.815 24.595 -10.913 1.00 55.73 C ATOM 323 O LYS A 56 13.575 25.199 -11.967 1.00 58.19 O ATOM 324 CB LYS A 56 16.130 23.863 -11.538 1.00 53.86 C ATOM 325 CG LYS A 56 17.240 22.843 -11.337 1.00 53.60 C ATOM 326 CD LYS A 56 18.573 23.393 -11.812 1.00 55.09 C ATOM 327 CE LYS A 56 19.732 22.436 -11.510 1.00 60.39 C ATOM 328 NZ LYS A 56 21.040 23.078 -11.878 1.00 60.86 N ATOM 329 HZ1 LYS A 56 21.040 23.306 -12.893 1.00 0.00 H ATOM 330 HZ2 LYS A 56 21.164 23.951 -11.326 1.00 0.00 H ATOM 331 HZ3 LYS A 56 21.818 22.421 -11.669 1.00 0.00 H ATOM 332 H LYS A 56 14.410 22.234 -12.678 1.00 0.00 H ATOM 333 N PRO A 57 13.219 24.934 -9.768 1.00 58.33 N ATOM 334 CA PRO A 57 12.048 25.832 -9.779 1.00 58.40 C ATOM 335 C PRO A 57 12.338 27.258 -10.216 1.00 58.95 C ATOM 336 O PRO A 57 11.398 27.967 -10.590 1.00 62.17 O ATOM 337 CB PRO A 57 11.565 25.796 -8.326 1.00 59.26 C ATOM 338 CG PRO A 57 12.161 24.527 -7.744 1.00 56.64 C ATOM 339 CD PRO A 57 13.458 24.330 -8.445 1.00 56.42 C ATOM 340 N PHE A 58 13.589 27.706 -10.194 1.00 59.61 N ATOM 341 CA PHE A 58 13.904 29.106 -10.447 1.00 56.29 C ATOM 342 C PHE A 58 14.393 29.350 -11.857 1.00 58.11 C ATOM 343 O PHE A 58 14.842 30.460 -12.164 1.00 60.45 O ATOM 344 CB PHE A 58 14.952 29.604 -9.458 1.00 56.52 C ATOM 345 CG PHE A 58 14.561 29.418 -8.022 1.00 62.50 C ATOM 346 CD1 PHE A 58 13.412 30.012 -7.522 1.00 59.47 C ATOM 347 CD2 PHE A 58 15.350 28.662 -7.170 1.00 58.68 C ATOM 348 CE1 PHE A 58 13.051 29.851 -6.204 1.00 61.41 C ATOM 349 CE2 PHE A 58 14.997 28.503 -5.847 1.00 64.72 C ATOM 350 CZ PHE A 58 13.841 29.097 -5.364 1.00 60.69 C ATOM 351 H PHE A 58 14.362 27.041 -9.991 1.00 0.00 H ATOM 352 N ILE A 59 14.338 28.342 -12.715 1.00 57.44 N ATOM 353 CA ILE A 59 14.797 28.457 -14.089 1.00 58.74 C ATOM 354 C ILE A 59 13.586 28.354 -14.992 1.00 59.30 C ATOM 355 O ILE A 59 12.806 27.400 -14.887 1.00 60.73 O ATOM 356 CB ILE A 59 15.835 27.380 -14.435 1.00 57.89 C ATOM 357 CG1 ILE A 59 17.152 27.681 -13.716 1.00 58.02 C ATOM 358 CG2 ILE A 59 15.998 27.280 -15.947 1.00 56.22 C ATOM 359 CD1 ILE A 59 18.146 26.556 -13.771 1.00 54.70 C ATOM 360 H ILE A 59 13.951 27.432 -12.392 1.00 0.00 H ATOM 361 N SER A 60 13.427 29.337 -15.872 1.00 57.47 N ATOM 362 CA SER A 60 12.281 29.328 -16.763 1.00 63.94 C ATOM 363 C SER A 60 12.601 28.629 -18.079 1.00 66.89 C ATOM 364 O SER A 60 11.836 27.765 -18.515 1.00 64.42 O ATOM 365 CB SER A 60 11.795 30.756 -17.014 1.00 67.87 C ATOM 366 OG SER A 60 10.450 30.734 -17.461 1.00 81.05 O ATOM 367 HG SER A 60 10.142 31.661 -17.622 1.00 0.00 H ATOM 368 H SER A 60 14.121 30.110 -15.922 1.00 0.00 H ATOM 369 N ARG A 61 13.734 28.961 -18.705 1.00 60.35 N ATOM 370 CA ARG A 61 14.050 28.421 -20.023 1.00 63.50 C ATOM 371 C ARG A 61 15.548 28.130 -20.155 1.00 59.91 C ATOM 372 O ARG A 61 16.387 28.689 -19.438 1.00 56.98 O ATOM 373 CB ARG A 61 13.538 29.380 -21.124 1.00 62.07 C ATOM 374 CG ARG A 61 12.020 29.184 -21.405 1.00 69.63 C ATOM 375 CD ARG A 61 11.176 30.472 -21.614 1.00 77.64 C ATOM 376 NE ARG A 61 9.729 30.211 -21.441 1.00 86.85 N ATOM 377 CZ ARG A 61 8.730 31.003 -21.855 1.00 85.45 C ATOM 378 NH1 ARG A 61 8.971 32.145 -22.495 1.00 83.74 N ATOM 379 NH2 ARG A 61 7.468 30.647 -21.631 1.00 84.48 N ATOM 380 HE ARG A 61 9.463 29.332 -20.953 1.00 0.00 H ATOM 381 HH12 ARG A 61 8.180 32.743 -22.807 1.00 0.00 H ATOM 382 HH11 ARG A 61 9.951 32.439 -22.683 1.00 0.00 H ATOM 383 HH22 ARG A 61 6.690 31.259 -21.951 1.00 0.00 H ATOM 384 HH21 ARG A 61 7.259 29.757 -21.136 1.00 0.00 H ATOM 385 H ARG A 61 14.400 29.614 -18.246 1.00 0.00 H ATOM 386 N CYS A 62 15.876 27.231 -21.088 1.00 58.05 N ATOM 387 CA CYS A 62 17.252 26.792 -21.294 1.00 55.73 C ATOM 388 C CYS A 62 17.476 26.443 -22.757 1.00 53.60 C ATOM 389 O CYS A 62 16.690 25.683 -23.325 1.00 61.55 O ATOM 390 CB CYS A 62 17.574 25.575 -20.422 1.00 54.63 C ATOM 391 SG CYS A 62 19.315 25.104 -20.467 1.00 51.58 S ATOM 392 H CYS A 62 15.126 26.831 -21.687 1.00 0.00 H ATOM 393 N VAL A 63 18.562 26.961 -23.347 1.00 53.59 N ATOM 394 CA VAL A 63 18.908 26.736 -24.756 1.00 55.57 C ATOM 395 C VAL A 63 20.325 26.174 -24.840 1.00 52.44 C ATOM 396 O VAL A 63 21.241 26.701 -24.196 1.00 53.52 O ATOM 397 CB VAL A 63 18.812 28.038 -25.587 1.00 56.31 C ATOM 398 CG1 VAL A 63 18.864 27.731 -27.085 1.00 48.83 C ATOM 399 CG2 VAL A 63 17.559 28.842 -25.224 1.00 46.62 C ATOM 400 H VAL A 63 19.195 27.556 -22.775 1.00 0.00 H ATOM 401 N VAL A 64 20.514 25.133 -25.653 1.00 51.22 N ATOM 402 CA VAL A 64 21.825 24.514 -25.859 1.00 52.09 C ATOM 403 C VAL A 64 22.055 24.307 -27.350 1.00 57.44 C ATOM 404 O VAL A 64 21.175 23.801 -28.056 1.00 59.92 O ATOM 405 CB VAL A 64 21.957 23.154 -25.137 1.00 59.62 C ATOM 406 CG1 VAL A 64 23.307 22.486 -25.479 1.00 54.91 C ATOM 407 CG2 VAL A 64 21.770 23.302 -23.627 1.00 54.70 C ATOM 408 H VAL A 64 19.695 24.744 -26.162 1.00 0.00 H ATOM 409 N GLN A 65 23.248 24.656 -27.820 1.00 55.90 N ATOM 410 CA GLN A 65 23.637 24.409 -29.201 1.00 56.32 C ATOM 411 C GLN A 65 24.534 23.173 -29.317 1.00 59.39 C ATOM 412 O GLN A 65 25.174 22.733 -28.354 1.00 58.71 O ATOM 413 CB GLN A 65 24.353 25.631 -29.788 1.00 52.72 C ATOM 414 CG GLN A 65 23.542 26.927 -29.770 1.00 39.66 C ATOM 415 CD GLN A 65 22.237 26.807 -30.531 1.00 53.11 C ATOM 416 OE1 GLN A 65 22.111 25.992 -31.453 1.00 55.40 O ATOM 417 NE2 GLN A 65 21.244 27.609 -30.136 1.00 49.58 N ATOM 418 HE22 GLN A 65 21.396 28.279 -29.355 1.00 0.00 H ATOM 419 HE21 GLN A 65 20.319 27.563 -30.609 1.00 0.00 H ATOM 420 H GLN A 65 23.925 25.120 -27.181 1.00 0.00 H ATOM 421 N GLY A 66 24.564 22.606 -30.520 1.00 57.96 N ATOM 422 CA GLY A 66 25.465 21.507 -30.802 1.00 54.39 C ATOM 423 C GLY A 66 24.915 20.162 -30.355 1.00 65.04 C ATOM 424 O GLY A 66 23.705 19.965 -30.192 1.00 67.68 O ATOM 425 H GLY A 66 23.932 22.956 -31.268 1.00 0.00 H ATOM 426 N LYS A 67 25.836 19.209 -30.196 1.00 66.34 N ATOM 427 CA LYS A 67 25.530 17.943 -29.539 1.00 66.46 C ATOM 428 C LYS A 67 25.280 18.236 -28.065 1.00 69.77 C ATOM 429 O LYS A 67 26.217 18.553 -27.321 1.00 69.28 O ATOM 430 CB LYS A 67 26.680 16.953 -29.716 1.00 75.65 C ATOM 431 CG LYS A 67 27.234 16.826 -31.145 1.00 73.33 C ATOM 432 CD LYS A 67 28.420 15.858 -31.180 1.00 73.61 C ATOM 433 CE LYS A 67 29.199 15.937 -32.489 1.00 74.61 C ATOM 434 NZ LYS A 67 30.480 15.165 -32.403 1.00 80.12 N ATOM 435 HZ1 LYS A 67 31.069 15.557 -31.641 1.00 0.00 H ATOM 436 HZ2 LYS A 67 30.269 14.167 -32.201 1.00 0.00 H ATOM 437 HZ3 LYS A 67 30.988 15.237 -33.308 1.00 0.00 H ATOM 438 H LYS A 67 26.800 19.374 -30.551 1.00 0.00 H ATOM 439 N LYS A 68 24.018 18.130 -27.640 1.00 66.65 N ATOM 440 CA LYS A 68 23.580 18.847 -26.445 1.00 62.76 C ATOM 441 C LYS A 68 24.171 18.273 -25.156 1.00 66.32 C ATOM 442 O LYS A 68 24.457 19.033 -24.217 1.00 56.14 O ATOM 443 CB LYS A 68 22.049 18.868 -26.397 1.00 63.69 C ATOM 444 CG LYS A 68 21.435 19.743 -27.494 1.00 66.92 C ATOM 445 CD LYS A 68 19.918 19.762 -27.443 1.00 69.26 C ATOM 446 CE LYS A 68 19.370 20.750 -28.470 1.00 68.48 C ATOM 447 NZ LYS A 68 20.145 20.667 -29.747 1.00 74.60 N ATOM 448 HZ1 LYS A 68 21.143 20.893 -29.561 1.00 0.00 H ATOM 449 HZ2 LYS A 68 20.072 19.704 -30.133 1.00 0.00 H ATOM 450 HZ3 LYS A 68 19.756 21.347 -30.432 1.00 0.00 H ATOM 451 H LYS A 68 23.344 17.534 -28.162 1.00 0.00 H ATOM 452 N LEU A 69 24.376 16.957 -25.085 1.00 60.36 N ATOM 453 CA LEU A 69 24.856 16.371 -23.841 1.00 55.28 C ATOM 454 C LEU A 69 26.264 15.808 -23.984 1.00 59.73 C ATOM 455 O LEU A 69 26.485 14.614 -23.757 1.00 59.75 O ATOM 456 CB LEU A 69 23.899 15.282 -23.360 1.00 56.64 C ATOM 457 CG LEU A 69 22.413 15.631 -23.202 1.00 58.69 C ATOM 458 CD1 LEU A 69 21.624 14.363 -22.883 1.00 60.43 C ATOM 459 CD2 LEU A 69 22.173 16.679 -22.137 1.00 54.30 C ATOM 460 H LEU A 69 24.194 16.353 -25.912 1.00 0.00 H ATOM 461 N GLU A 70 27.222 16.654 -24.356 1.00 57.18 N ATOM 462 CA GLU A 70 28.622 16.262 -24.417 1.00 53.71 C ATOM 463 C GLU A 70 29.466 17.259 -23.636 1.00 51.40 C ATOM 464 O GLU A 70 29.158 18.457 -23.603 1.00 51.04 O ATOM 465 CB GLU A 70 29.123 16.179 -25.861 1.00 59.36 C ATOM 466 CG GLU A 70 29.284 17.522 -26.562 1.00 64.49 C ATOM 467 CD GLU A 70 30.156 17.425 -27.810 1.00 75.06 C ATOM 468 OE1 GLU A 70 30.127 16.362 -28.476 1.00 77.31 O ATOM 469 OE2 GLU A 70 30.878 18.409 -28.113 1.00 77.70 O ATOM 470 H GLU A 70 26.961 17.628 -24.612 1.00 0.00 H ATOM 471 N VAL A 71 30.523 16.754 -22.997 1.00 51.82 N ATOM 472 CA VAL A 71 31.472 17.599 -22.279 1.00 49.55 C ATOM 473 C VAL A 71 31.863 18.769 -23.174 1.00 50.97 C ATOM 474 O VAL A 71 32.293 18.579 -24.317 1.00 49.43 O ATOM 475 CB VAL A 71 32.708 16.799 -21.828 1.00 45.46 C ATOM 476 CG1 VAL A 71 33.851 17.744 -21.513 1.00 47.26 C ATOM 477 CG2 VAL A 71 32.377 15.962 -20.585 1.00 46.19 C ATOM 478 H VAL A 71 30.675 15.725 -23.011 1.00 0.00 H ATOM 479 N GLY A 72 31.667 19.987 -22.679 1.00 49.29 N ATOM 480 CA GLY A 72 31.940 21.194 -23.426 1.00 46.89 C ATOM 481 C GLY A 72 30.705 21.941 -23.865 1.00 42.95 C ATOM 482 O GLY A 72 30.789 23.148 -24.102 1.00 48.75 O ATOM 483 H GLY A 72 31.300 20.076 -21.710 1.00 0.00 H ATOM 484 N SER A 73 29.559 21.265 -23.981 1.00 51.46 N ATOM 485 CA SER A 73 28.319 21.950 -24.328 1.00 44.77 C ATOM 486 C SER A 73 28.085 23.136 -23.403 1.00 45.47 C ATOM 487 O SER A 73 28.533 23.167 -22.251 1.00 46.40 O ATOM 488 CB SER A 73 27.125 21.004 -24.248 1.00 48.42 C ATOM 489 OG SER A 73 27.282 19.911 -25.119 1.00 61.48 O ATOM 490 HG SER A 73 28.100 19.410 -24.873 1.00 0.00 H ATOM 491 H SER A 73 29.551 20.237 -23.822 1.00 0.00 H ATOM 492 N VAL A 74 27.366 24.116 -23.921 1.00 47.25 N ATOM 493 CA VAL A 74 27.121 25.368 -23.231 1.00 46.18 C ATOM 494 C VAL A 74 25.623 25.588 -23.213 1.00 46.65 C ATOM 495 O VAL A 74 24.935 25.299 -24.195 1.00 46.63 O ATOM 496 CB VAL A 74 27.858 26.534 -23.923 1.00 48.10 C ATOM 497 CG1 VAL A 74 27.447 27.871 -23.322 1.00 42.98 C ATOM 498 CG2 VAL A 74 29.364 26.315 -23.809 1.00 43.71 C ATOM 499 H VAL A 74 26.957 23.983 -24.868 1.00 0.00 H ATOM 500 N ARG A 75 25.103 26.043 -22.083 1.00 47.22 N ATOM 501 CA ARG A 75 23.691 26.366 -22.001 1.00 51.16 C ATOM 502 C ARG A 75 23.536 27.810 -21.565 1.00 51.20 C ATOM 503 O ARG A 75 24.305 28.307 -20.731 1.00 47.77 O ATOM 504 CB ARG A 75 22.942 25.435 -21.039 1.00 48.93 C ATOM 505 CG ARG A 75 23.355 25.511 -19.590 1.00 45.80 C ATOM 506 CD ARG A 75 22.638 24.418 -18.804 1.00 47.06 C ATOM 507 NE ARG A 75 23.011 24.399 -17.397 1.00 46.27 N ATOM 508 CZ ARG A 75 22.558 23.512 -16.517 1.00 51.10 C ATOM 509 NH1 ARG A 75 22.955 23.565 -15.249 1.00 46.34 N ATOM 510 NH2 ARG A 75 21.711 22.571 -16.908 1.00 47.37 N ATOM 511 HE ARG A 75 23.674 25.126 -17.059 1.00 0.00 H ATOM 512 HH12 ARG A 75 22.599 22.869 -14.563 1.00 0.00 H ATOM 513 HH11 ARG A 75 23.622 24.302 -14.943 1.00 0.00 H ATOM 514 HH22 ARG A 75 21.354 21.875 -16.222 1.00 0.00 H ATOM 515 HH21 ARG A 75 21.403 22.528 -17.900 1.00 0.00 H ATOM 516 H ARG A 75 25.711 26.170 -21.249 1.00 0.00 H ATOM 517 N GLU A 76 22.557 28.472 -22.169 1.00 48.65 N ATOM 518 CA GLU A 76 22.099 29.790 -21.765 1.00 51.08 C ATOM 519 C GLU A 76 20.811 29.583 -20.989 1.00 49.10 C ATOM 520 O GLU A 76 19.833 29.058 -21.532 1.00 53.09 O ATOM 521 CB GLU A 76 21.872 30.698 -22.975 1.00 51.70 C ATOM 522 CG GLU A 76 23.149 31.335 -23.500 1.00 56.42 C ATOM 523 CD GLU A 76 23.031 31.848 -24.926 1.00 55.36 C ATOM 524 OE1 GLU A 76 24.083 31.950 -25.591 1.00 54.49 O ATOM 525 OE2 GLU A 76 21.902 32.138 -25.391 1.00 54.93 O ATOM 526 H GLU A 76 22.090 28.020 -22.981 1.00 0.00 H ATOM 527 N VAL A 77 20.826 29.955 -19.720 1.00 46.85 N ATOM 528 CA VAL A 77 19.695 29.744 -18.831 1.00 51.59 C ATOM 529 C VAL A 77 19.004 31.085 -18.628 1.00 50.94 C ATOM 530 O VAL A 77 19.667 32.102 -18.376 1.00 48.72 O ATOM 531 CB VAL A 77 20.152 29.133 -17.490 1.00 55.30 C ATOM 532 CG1 VAL A 77 18.992 28.971 -16.547 1.00 55.87 C ATOM 533 CG2 VAL A 77 20.839 27.781 -17.700 1.00 48.89 C ATOM 534 H VAL A 77 21.679 30.416 -19.344 1.00 0.00 H ATOM 535 N ASP A 78 17.681 31.099 -18.770 1.00 50.71 N ATOM 536 CA ASP A 78 16.870 32.251 -18.398 1.00 51.96 C ATOM 537 C ASP A 78 16.205 31.956 -17.056 1.00 54.56 C ATOM 538 O ASP A 78 15.544 30.924 -16.895 1.00 56.49 O ATOM 539 CB ASP A 78 15.827 32.570 -19.467 1.00 56.51 C ATOM 540 CG ASP A 78 16.435 33.151 -20.738 1.00 58.74 C ATOM 541 OD1 ASP A 78 16.605 32.392 -21.712 1.00 62.23 O ATOM 542 OD2 ASP A 78 16.741 34.363 -20.768 1.00 62.53 O ATOM 543 H ASP A 78 17.209 30.258 -19.160 1.00 0.00 H ATOM 544 N LEU A 79 16.399 32.844 -16.092 1.00 54.46 N ATOM 545 CA LEU A 79 15.814 32.614 -14.779 1.00 61.20 C ATOM 546 C LEU A 79 14.389 33.157 -14.732 1.00 63.68 C ATOM 547 O LEU A 79 13.953 33.908 -15.610 1.00 59.77 O ATOM 548 CB LEU A 79 16.660 33.261 -13.687 1.00 52.83 C ATOM 549 CG LEU A 79 18.126 32.832 -13.643 1.00 53.46 C ATOM 550 CD1 LEU A 79 18.914 33.701 -12.661 1.00 52.42 C ATOM 551 CD2 LEU A 79 18.219 31.365 -13.270 1.00 52.82 C ATOM 552 H LEU A 79 16.964 33.698 -16.272 1.00 0.00 H ATOM 553 N LYS A 80 13.653 32.752 -13.696 1.00 63.02 N ATOM 554 CA LYS A 80 12.312 33.278 -13.488 1.00 61.02 C ATOM 555 C LYS A 80 12.371 34.766 -13.156 1.00 63.31 C ATOM 556 O LYS A 80 13.358 35.270 -12.613 1.00 65.01 O ATOM 557 CB LYS A 80 11.599 32.516 -12.369 1.00 60.92 C ATOM 558 CG LYS A 80 11.470 31.022 -12.650 1.00 67.94 C ATOM 559 CD LYS A 80 10.033 30.514 -12.515 1.00 66.92 C ATOM 560 CE LYS A 80 9.741 29.420 -13.539 1.00 62.74 C ATOM 561 NZ LYS A 80 8.481 28.693 -13.223 1.00 68.24 N ATOM 562 HZ1 LYS A 80 8.563 28.251 -12.285 1.00 0.00 H ATOM 563 HZ2 LYS A 80 7.686 29.363 -13.223 1.00 0.00 H ATOM 564 HZ3 LYS A 80 8.317 27.958 -13.941 1.00 0.00 H ATOM 565 H LYS A 80 14.041 32.054 -13.030 1.00 0.00 H ATOM 566 N SER A 81 11.301 35.474 -13.499 1.00 64.44 N ATOM 567 CA SER A 81 11.213 36.889 -13.178 1.00 65.71 C ATOM 568 C SER A 81 11.111 37.082 -11.672 1.00 69.97 C ATOM 569 O SER A 81 10.657 36.198 -10.938 1.00 71.13 O ATOM 570 CB SER A 81 10.002 37.515 -13.862 1.00 71.02 C ATOM 571 OG SER A 81 8.809 36.953 -13.342 1.00 72.19 O ATOM 572 HG SER A 81 8.761 37.127 -12.369 1.00 0.00 H ATOM 573 H SER A 81 10.518 35.011 -14.003 1.00 0.00 H ATOM 574 N GLY A 82 11.538 38.253 -11.214 1.00 67.72 N ATOM 575 CA GLY A 82 11.455 38.561 -9.803 1.00 68.96 C ATOM 576 C GLY A 82 12.602 38.031 -8.981 1.00 76.78 C ATOM 577 O GLY A 82 12.434 37.785 -7.780 1.00 77.38 O ATOM 578 H GLY A 82 11.934 38.953 -11.873 1.00 0.00 H ATOM 579 N LEU A 83 13.766 37.842 -9.592 1.00 73.91 N ATOM 580 CA LEU A 83 14.953 37.332 -8.932 1.00 69.15 C ATOM 581 C LEU A 83 16.087 38.334 -9.078 1.00 68.79 C ATOM 582 O LEU A 83 16.049 39.198 -9.961 1.00 69.09 O ATOM 583 CB LEU A 83 15.375 35.980 -9.525 1.00 67.24 C ATOM 584 CG LEU A 83 15.033 34.727 -8.718 1.00 66.46 C ATOM 585 CD1 LEU A 83 13.559 34.371 -8.871 1.00 66.58 C ATOM 586 CD2 LEU A 83 15.918 33.560 -9.126 1.00 60.51 C ATOM 587 H LEU A 83 13.830 38.073 -10.604 1.00 0.00 H ATOM 588 N PRO A 84 17.109 38.252 -8.221 1.00 66.51 N ATOM 589 CA PRO A 84 18.267 39.157 -8.357 1.00 66.49 C ATOM 590 C PRO A 84 18.944 39.132 -9.717 1.00 64.54 C ATOM 591 O PRO A 84 19.659 40.088 -10.043 1.00 69.95 O ATOM 592 CB PRO A 84 19.219 38.665 -7.260 1.00 69.40 C ATOM 593 CG PRO A 84 18.301 38.116 -6.199 1.00 71.01 C ATOM 594 CD PRO A 84 17.104 37.546 -6.925 1.00 67.86 C ATOM 595 N ALA A 85 18.768 38.080 -10.516 1.00 61.90 N ATOM 596 CA ALA A 85 19.424 37.990 -11.813 1.00 57.82 C ATOM 597 C ALA A 85 18.468 37.353 -12.806 1.00 56.08 C ATOM 598 O ALA A 85 17.436 36.789 -12.433 1.00 61.07 O ATOM 599 CB ALA A 85 20.733 37.201 -11.728 1.00 59.36 C ATOM 600 H ALA A 85 18.148 37.305 -10.206 1.00 0.00 H ATOM 601 N THR A 86 18.822 37.436 -14.081 1.00 53.38 N ATOM 602 CA THR A 86 17.947 36.931 -15.134 1.00 58.30 C ATOM 603 C THR A 86 18.582 35.875 -16.020 1.00 55.33 C ATOM 604 O THR A 86 17.884 34.959 -16.466 1.00 55.21 O ATOM 605 CB THR A 86 17.473 38.083 -16.021 1.00 58.84 C ATOM 606 OG1 THR A 86 18.614 38.815 -16.490 1.00 56.29 O ATOM 607 CG2 THR A 86 16.534 38.996 -15.233 1.00 53.22 C ATOM 608 HG1 THR A 86 19.115 39.175 -15.716 1.00 0.00 H ATOM 609 H THR A 86 19.734 37.866 -14.334 1.00 0.00 H ATOM 610 N LYS A 87 19.876 35.981 -16.300 1.00 54.39 N ATOM 611 CA LYS A 87 20.558 35.109 -17.243 1.00 52.39 C ATOM 612 C LYS A 87 21.689 34.366 -16.549 1.00 49.60 C ATOM 613 O LYS A 87 22.283 34.865 -15.591 1.00 52.27 O ATOM 614 CB LYS A 87 21.132 35.914 -18.435 1.00 55.87 C ATOM 615 CG LYS A 87 20.077 36.369 -19.434 1.00 65.08 C ATOM 616 CD LYS A 87 20.654 37.169 -20.590 1.00 60.83 C ATOM 617 CE LYS A 87 19.592 37.420 -21.672 1.00 62.75 C ATOM 618 NZ LYS A 87 19.027 36.154 -22.271 1.00 69.89 N ATOM 619 HZ1 LYS A 87 19.795 35.607 -22.710 1.00 0.00 H ATOM 620 HZ2 LYS A 87 18.580 35.587 -21.522 1.00 0.00 H ATOM 621 HZ3 LYS A 87 18.318 36.399 -22.992 1.00 0.00 H ATOM 622 H LYS A 87 20.427 36.722 -15.822 1.00 0.00 H ATOM 623 N SER A 88 22.002 33.181 -17.065 1.00 51.49 N ATOM 624 CA SER A 88 23.192 32.445 -16.658 1.00 51.01 C ATOM 625 C SER A 88 23.701 31.648 -17.857 1.00 48.53 C ATOM 626 O SER A 88 22.907 31.094 -18.622 1.00 51.60 O ATOM 627 CB SER A 88 22.892 31.523 -15.463 1.00 49.80 C ATOM 628 OG SER A 88 24.036 30.832 -14.994 1.00 46.88 O ATOM 629 HG SER A 88 23.782 30.258 -14.229 1.00 0.00 H ATOM 630 H SER A 88 21.376 32.765 -17.784 1.00 0.00 H ATOM 631 N THR A 89 25.022 31.612 -18.027 1.00 43.03 N ATOM 632 CA THR A 89 25.662 30.810 -19.064 1.00 48.32 C ATOM 633 C THR A 89 26.594 29.804 -18.401 1.00 42.95 C ATOM 634 O THR A 89 27.494 30.186 -17.646 1.00 49.04 O ATOM 635 CB THR A 89 26.437 31.689 -20.054 1.00 52.63 C ATOM 636 OG1 THR A 89 25.553 32.660 -20.637 1.00 52.16 O ATOM 637 CG2 THR A 89 27.035 30.825 -21.161 1.00 46.00 C ATOM 638 HG1 THR A 89 26.058 33.224 -21.275 1.00 0.00 H ATOM 639 H THR A 89 25.622 32.179 -17.394 1.00 0.00 H ATOM 640 N GLU A 90 26.381 28.526 -18.681 1.00 45.22 N ATOM 641 CA GLU A 90 27.025 27.448 -17.950 1.00 46.17 C ATOM 642 C GLU A 90 27.602 26.412 -18.914 1.00 43.86 C ATOM 643 O GLU A 90 27.067 26.181 -19.999 1.00 49.34 O ATOM 644 CB GLU A 90 26.017 26.802 -16.975 1.00 42.78 C ATOM 645 CG GLU A 90 24.937 27.790 -16.539 1.00 48.16 C ATOM 646 CD GLU A 90 24.004 27.285 -15.452 1.00 52.55 C ATOM 647 OE1 GLU A 90 23.684 26.075 -15.433 1.00 55.04 O ATOM 648 OE2 GLU A 90 23.581 28.121 -14.617 1.00 50.87 O ATOM 649 H GLU A 90 25.728 28.286 -19.454 1.00 0.00 H ATOM 650 N VAL A 91 28.686 25.765 -18.489 1.00 44.07 N ATOM 651 CA VAL A 91 29.364 24.754 -19.286 1.00 43.83 C ATOM 652 C VAL A 91 29.255 23.403 -18.597 1.00 44.09 C ATOM 653 O VAL A 91 29.284 23.303 -17.370 1.00 44.16 O ATOM 654 CB VAL A 91 30.848 25.106 -19.510 1.00 43.75 C ATOM 655 CG1 VAL A 91 31.511 24.072 -20.442 1.00 42.54 C ATOM 656 CG2 VAL A 91 30.976 26.507 -20.054 1.00 41.73 C ATOM 657 H VAL A 91 29.064 25.992 -17.547 1.00 0.00 H ATOM 658 N LEU A 92 29.167 22.359 -19.408 1.00 45.64 N ATOM 659 CA LEU A 92 29.101 20.981 -18.952 1.00 41.53 C ATOM 660 C LEU A 92 30.521 20.440 -18.861 1.00 46.28 C ATOM 661 O LEU A 92 31.154 20.174 -19.886 1.00 45.00 O ATOM 662 CB LEU A 92 28.265 20.159 -19.926 1.00 45.46 C ATOM 663 CG LEU A 92 28.128 18.703 -19.545 1.00 44.29 C ATOM 664 CD1 LEU A 92 27.378 18.665 -18.255 1.00 39.40 C ATOM 665 CD2 LEU A 92 27.380 17.964 -20.645 1.00 48.88 C ATOM 666 H LEU A 92 29.144 22.536 -20.432 1.00 0.00 H ATOM 667 N GLU A 93 31.022 20.285 -17.634 1.00 46.55 N ATOM 668 CA GLU A 93 32.388 19.846 -17.385 1.00 43.57 C ATOM 669 C GLU A 93 32.488 18.338 -17.267 1.00 44.17 C ATOM 670 O GLU A 93 33.455 17.740 -17.743 1.00 48.87 O ATOM 671 CB GLU A 93 32.924 20.469 -16.093 1.00 45.89 C ATOM 672 CG GLU A 93 33.080 21.958 -16.115 1.00 45.52 C ATOM 673 CD GLU A 93 34.093 22.450 -15.079 1.00 55.22 C ATOM 674 OE1 GLU A 93 34.051 21.989 -13.901 1.00 55.76 O ATOM 675 OE2 GLU A 93 34.932 23.305 -15.457 1.00 58.56 O ATOM 676 H GLU A 93 30.409 20.487 -16.818 1.00 0.00 H ATOM 677 N ILE A 94 31.518 17.713 -16.610 1.00 47.37 N ATOM 678 CA ILE A 94 31.505 16.271 -16.403 1.00 47.23 C ATOM 679 C ILE A 94 30.101 15.763 -16.675 1.00 45.89 C ATOM 680 O ILE A 94 29.122 16.319 -16.159 1.00 47.72 O ATOM 681 CB ILE A 94 31.919 15.885 -14.970 1.00 45.49 C ATOM 682 CG1 ILE A 94 33.281 16.475 -14.614 1.00 44.51 C ATOM 683 CG2 ILE A 94 31.891 14.372 -14.800 1.00 40.65 C ATOM 684 CD1 ILE A 94 33.587 16.417 -13.135 1.00 50.37 C ATOM 685 H ILE A 94 30.733 18.278 -16.226 1.00 0.00 H ATOM 686 N LEU A 95 30.005 14.696 -17.457 1.00 40.00 N ATOM 687 CA LEU A 95 28.763 13.940 -17.594 1.00 41.86 C ATOM 688 C LEU A 95 29.159 12.470 -17.665 1.00 46.70 C ATOM 689 O LEU A 95 29.590 11.991 -18.716 1.00 49.64 O ATOM 690 CB LEU A 95 27.974 14.379 -18.817 1.00 49.30 C ATOM 691 CG LEU A 95 26.693 13.601 -19.099 1.00 51.02 C ATOM 692 CD1 LEU A 95 25.677 13.864 -18.015 1.00 49.50 C ATOM 693 CD2 LEU A 95 26.154 14.009 -20.446 1.00 56.16 C ATOM 694 H LEU A 95 30.843 14.387 -17.991 1.00 0.00 H ATOM 695 N ASP A 96 29.051 11.773 -16.539 1.00 48.11 N ATOM 696 CA ASP A 96 29.448 10.372 -16.424 1.00 46.96 C ATOM 697 C ASP A 96 28.185 9.517 -16.315 1.00 49.78 C ATOM 698 O ASP A 96 27.541 9.460 -15.259 1.00 46.94 O ATOM 699 CB ASP A 96 30.361 10.182 -15.222 1.00 47.88 C ATOM 700 CG ASP A 96 30.945 8.787 -15.147 1.00 50.99 C ATOM 701 OD1 ASP A 96 30.594 7.928 -15.990 1.00 55.95 O ATOM 702 OD2 ASP A 96 31.765 8.551 -14.234 1.00 55.53 O ATOM 703 H ASP A 96 28.665 12.248 -15.698 1.00 0.00 H ATOM 704 N ASP A 97 27.831 8.854 -17.414 1.00 48.56 N ATOM 705 CA ASP A 97 26.631 8.030 -17.463 1.00 48.34 C ATOM 706 C ASP A 97 26.810 6.675 -16.786 1.00 52.26 C ATOM 707 O ASP A 97 25.812 6.003 -16.509 1.00 54.63 O ATOM 708 CB ASP A 97 26.194 7.827 -18.914 1.00 49.31 C ATOM 709 CG ASP A 97 25.266 8.934 -19.415 1.00 58.04 C ATOM 710 OD1 ASP A 97 24.330 9.322 -18.682 1.00 58.12 O ATOM 711 OD2 ASP A 97 25.461 9.419 -20.551 1.00 59.48 O ATOM 712 H ASP A 97 28.429 8.927 -18.262 1.00 0.00 H ATOM 713 N ASN A 98 28.042 6.254 -16.507 1.00 54.25 N ATOM 714 CA ASN A 98 28.239 5.014 -15.766 1.00 55.02 C ATOM 715 C ASN A 98 28.209 5.214 -14.264 1.00 53.99 C ATOM 716 O ASN A 98 27.746 4.322 -13.547 1.00 52.43 O ATOM 717 CB ASN A 98 29.563 4.353 -16.148 1.00 54.76 C ATOM 718 CG ASN A 98 29.440 3.507 -17.384 1.00 60.12 C ATOM 719 OD1 ASN A 98 29.018 2.357 -17.312 1.00 65.21 O ATOM 720 ND2 ASN A 98 29.788 4.075 -18.535 1.00 66.79 N ATOM 721 HD22 ASN A 98 30.141 5.053 -18.546 1.00 0.00 H ATOM 722 HD21 ASN A 98 29.707 3.541 -19.424 1.00 0.00 H ATOM 723 H ASN A 98 28.864 6.810 -16.818 1.00 0.00 H ATOM 724 N GLU A 99 28.692 6.356 -13.769 1.00 52.43 N ATOM 725 CA GLU A 99 28.714 6.620 -12.333 1.00 50.27 C ATOM 726 C GLU A 99 27.700 7.666 -11.897 1.00 47.71 C ATOM 727 O GLU A 99 27.540 7.882 -10.690 1.00 48.59 O ATOM 728 CB GLU A 99 30.118 7.045 -11.893 1.00 46.75 C ATOM 729 CG GLU A 99 31.160 5.974 -12.142 1.00 50.65 C ATOM 730 CD GLU A 99 30.688 4.598 -11.696 1.00 54.99 C ATOM 731 OE1 GLU A 99 30.121 4.476 -10.582 1.00 57.41 O ATOM 732 OE2 GLU A 99 30.871 3.636 -12.475 1.00 62.04 O ATOM 733 H GLU A 99 29.062 7.076 -14.422 1.00 0.00 H ATOM 734 N HIS A 100 27.008 8.312 -12.843 1.00 45.64 N ATOM 735 CA HIS A 100 25.923 9.239 -12.538 1.00 41.83 C ATOM 736 C HIS A 100 26.476 10.471 -11.814 1.00 47.06 C ATOM 737 O HIS A 100 26.036 10.847 -10.719 1.00 47.10 O ATOM 738 CB HIS A 100 24.814 8.534 -11.745 1.00 44.53 C ATOM 739 CG HIS A 100 24.556 7.127 -12.203 1.00 47.72 C ATOM 740 ND1 HIS A 100 25.119 6.028 -11.586 1.00 47.62 N ATOM 741 CD2 HIS A 100 23.831 6.641 -13.242 1.00 45.91 C ATOM 742 CE1 HIS A 100 24.737 4.927 -12.212 1.00 45.34 C ATOM 743 NE2 HIS A 100 23.956 5.272 -13.219 1.00 48.04 N ATOM 744 H HIS A 100 27.254 8.146 -13.840 1.00 0.00 H ATOM 745 N ILE A 101 27.483 11.072 -12.434 1.00 43.86 N ATOM 746 CA ILE A 101 28.063 12.340 -12.023 1.00 44.02 C ATOM 747 C ILE A 101 27.805 13.351 -13.127 1.00 40.90 C ATOM 748 O ILE A 101 28.176 13.121 -14.284 1.00 45.05 O ATOM 749 CB ILE A 101 29.574 12.204 -11.765 1.00 48.41 C ATOM 750 CG1 ILE A 101 29.838 11.019 -10.830 1.00 50.10 C ATOM 751 CG2 ILE A 101 30.139 13.513 -11.191 1.00 42.53 C ATOM 752 CD1 ILE A 101 31.306 10.710 -10.627 1.00 43.53 C ATOM 753 H ILE A 101 27.885 10.604 -13.271 1.00 0.00 H ATOM 754 N LEU A 102 27.190 14.473 -12.773 1.00 41.53 N ATOM 755 CA LEU A 102 27.043 15.615 -13.670 1.00 43.76 C ATOM 756 C LEU A 102 27.781 16.800 -13.061 1.00 44.20 C ATOM 757 O LEU A 102 27.482 17.206 -11.933 1.00 46.23 O ATOM 758 CB LEU A 102 25.570 15.964 -13.888 1.00 39.32 C ATOM 759 CG LEU A 102 25.335 17.264 -14.659 1.00 45.10 C ATOM 760 CD1 LEU A 102 25.312 16.953 -16.135 1.00 50.72 C ATOM 761 CD2 LEU A 102 24.038 17.958 -14.242 1.00 45.80 C ATOM 762 H LEU A 102 26.795 14.541 -11.813 1.00 0.00 H ATOM 763 N GLY A 103 28.725 17.362 -13.812 1.00 43.80 N ATOM 764 CA GLY A 103 29.482 18.509 -13.354 1.00 40.16 C ATOM 765 C GLY A 103 29.310 19.702 -14.270 1.00 44.84 C ATOM 766 O GLY A 103 29.420 19.573 -15.499 1.00 47.14 O ATOM 767 H GLY A 103 28.925 16.967 -14.753 1.00 0.00 H ATOM 768 N ILE A 104 29.015 20.865 -13.693 1.00 38.05 N ATOM 769 CA ILE A 104 28.794 22.078 -14.468 1.00 43.61 C ATOM 770 C ILE A 104 29.635 23.186 -13.859 1.00 48.43 C ATOM 771 O ILE A 104 30.089 23.104 -12.713 1.00 47.15 O ATOM 772 CB ILE A 104 27.304 22.514 -14.528 1.00 48.04 C ATOM 773 CG1 ILE A 104 26.792 22.925 -13.144 1.00 47.51 C ATOM 774 CG2 ILE A 104 26.410 21.386 -15.065 1.00 47.09 C ATOM 775 CD1 ILE A 104 26.686 24.411 -12.928 1.00 53.97 C ATOM 776 H ILE A 104 28.940 20.909 -12.657 1.00 0.00 H ATOM 777 N ARG A 105 29.828 24.235 -14.652 1.00 43.59 N ATOM 778 CA ARG A 105 30.493 25.447 -14.219 1.00 41.87 C ATOM 779 C ARG A 105 29.756 26.627 -14.825 1.00 43.75 C ATOM 780 O ARG A 105 29.361 26.592 -15.993 1.00 47.44 O ATOM 781 CB ARG A 105 31.966 25.459 -14.637 1.00 46.60 C ATOM 782 CG ARG A 105 32.639 26.817 -14.491 1.00 50.92 C ATOM 783 CD ARG A 105 34.119 26.777 -14.901 1.00 45.27 C ATOM 784 NE ARG A 105 34.927 26.018 -13.944 1.00 58.68 N ATOM 785 CZ ARG A 105 35.324 26.470 -12.748 1.00 57.57 C ATOM 786 NH1 ARG A 105 34.988 27.691 -12.342 1.00 58.36 N ATOM 787 NH2 ARG A 105 36.057 25.700 -11.950 1.00 53.73 N ATOM 788 HE ARG A 105 35.214 25.055 -14.214 1.00 0.00 H ATOM 789 HH12 ARG A 105 35.301 28.034 -11.411 1.00 0.00 H ATOM 790 HH11 ARG A 105 34.412 28.303 -12.955 1.00 0.00 H ATOM 791 HH22 ARG A 105 36.363 26.056 -11.022 1.00 0.00 H ATOM 792 HH21 ARG A 105 36.324 24.742 -12.254 1.00 0.00 H ATOM 793 H ARG A 105 29.484 24.183 -15.632 1.00 0.00 H ATOM 794 N ILE A 106 29.565 27.665 -14.034 1.00 44.49 N ATOM 795 CA ILE A 106 28.903 28.883 -14.484 1.00 48.44 C ATOM 796 C ILE A 106 29.969 29.897 -14.886 1.00 46.35 C ATOM 797 O ILE A 106 30.934 30.120 -14.136 1.00 47.03 O ATOM 798 CB ILE A 106 27.987 29.439 -13.385 1.00 41.18 C ATOM 799 CG1 ILE A 106 26.801 28.499 -13.179 1.00 48.07 C ATOM 800 CG2 ILE A 106 27.547 30.820 -13.729 1.00 43.13 C ATOM 801 CD1 ILE A 106 26.027 28.754 -11.865 1.00 43.42 C ATOM 802 H ILE A 106 29.900 27.612 -13.051 1.00 0.00 H ATOM 803 N VAL A 107 29.804 30.504 -16.059 1.00 45.60 N ATOM 804 CA VAL A 107 30.854 31.354 -16.626 1.00 42.27 C ATOM 805 C VAL A 107 30.356 32.720 -17.081 1.00 42.84 C ATOM 806 O VAL A 107 31.179 33.614 -17.339 1.00 45.43 O ATOM 807 CB VAL A 107 31.570 30.620 -17.785 1.00 48.95 C ATOM 808 CG1 VAL A 107 32.350 29.417 -17.245 1.00 47.67 C ATOM 809 CG2 VAL A 107 30.569 30.156 -18.856 1.00 43.32 C ATOM 810 H VAL A 107 28.915 30.373 -16.582 1.00 0.00 H ATOM 811 N GLY A 108 29.054 32.968 -17.180 1.00 48.50 N ATOM 812 CA GLY A 108 28.549 34.301 -17.443 1.00 51.34 C ATOM 813 C GLY A 108 27.127 34.486 -16.946 1.00 48.57 C ATOM 814 O GLY A 108 26.507 33.566 -16.407 1.00 50.20 O ATOM 815 H GLY A 108 28.379 32.185 -17.066 1.00 0.00 H ATOM 816 N GLY A 109 26.596 35.693 -17.162 1.00 52.68 N ATOM 817 CA GLY A 109 25.266 36.076 -16.730 1.00 54.80 C ATOM 818 C GLY A 109 25.276 37.403 -15.979 1.00 55.53 C ATOM 819 O GLY A 109 26.297 38.090 -15.880 1.00 58.27 O ATOM 820 H GLY A 109 27.169 36.398 -17.669 1.00 0.00 H ATOM 821 N ASP A 110 24.118 37.790 -15.446 1.00 59.04 N ATOM 822 CA ASP A 110 23.989 39.052 -14.722 1.00 62.09 C ATOM 823 C ASP A 110 23.774 38.821 -13.228 1.00 65.21 C ATOM 824 O ASP A 110 23.030 39.548 -12.565 1.00 67.02 O ATOM 825 CB ASP A 110 22.878 39.918 -15.313 1.00 57.28 C ATOM 826 CG ASP A 110 21.513 39.292 -15.187 1.00 60.03 C ATOM 827 OD1 ASP A 110 21.427 38.059 -15.026 1.00 58.22 O ATOM 828 OD2 ASP A 110 20.520 40.044 -15.261 1.00 65.08 O ATOM 829 H ASP A 110 23.284 37.177 -15.548 1.00 0.00 H ATOM 830 N HIS A 111 24.454 37.811 -12.689 1.00 62.11 N ATOM 831 CA HIS A 111 24.402 37.407 -11.292 1.00 59.65 C ATOM 832 C HIS A 111 25.740 37.719 -10.634 1.00 59.59 C ATOM 833 O HIS A 111 26.698 38.129 -11.281 1.00 60.50 O ATOM 834 CB HIS A 111 24.084 35.918 -11.182 1.00 60.62 C ATOM 835 CG HIS A 111 25.006 35.066 -11.997 1.00 61.29 C ATOM 836 ND1 HIS A 111 26.244 34.664 -11.540 1.00 57.29 N ATOM 837 CD2 HIS A 111 24.903 34.603 -13.267 1.00 54.92 C ATOM 838 CE1 HIS A 111 26.850 33.965 -12.483 1.00 56.77 C ATOM 839 NE2 HIS A 111 26.058 33.913 -13.541 1.00 54.70 N ATOM 840 H HIS A 111 25.075 37.265 -13.320 1.00 0.00 H ATOM 841 N ARG A 112 25.810 37.471 -9.335 1.00 67.42 N ATOM 842 CA ARG A 112 26.938 37.895 -8.519 1.00 69.91 C ATOM 843 C ARG A 112 27.974 36.793 -8.286 1.00 64.63 C ATOM 844 O ARG A 112 28.929 37.010 -7.535 1.00 67.22 O ATOM 845 CB ARG A 112 26.414 38.420 -7.176 1.00 71.78 C ATOM 846 CG ARG A 112 25.290 39.464 -7.324 1.00 77.79 C ATOM 847 CD ARG A 112 24.703 39.931 -5.979 1.00 82.19 C ATOM 848 NE ARG A 112 25.714 40.050 -4.928 1.00 87.90 N ATOM 849 CZ ARG A 112 26.685 40.962 -4.910 1.00 88.20 C ATOM 850 NH1 ARG A 112 27.556 40.987 -3.909 1.00 86.27 N ATOM 851 NH2 ARG A 112 26.797 41.840 -5.900 1.00 89.88 N ATOM 852 HE ARG A 112 25.672 39.374 -4.139 1.00 0.00 H ATOM 853 HH12 ARG A 112 28.313 41.700 -3.896 1.00 0.00 H ATOM 854 HH11 ARG A 112 27.481 40.294 -3.137 1.00 0.00 H ATOM 855 HH22 ARG A 112 27.557 42.550 -5.882 1.00 0.00 H ATOM 856 HH21 ARG A 112 26.125 41.817 -6.694 1.00 0.00 H ATOM 857 H ARG A 112 25.030 36.954 -8.881 1.00 0.00 H ATOM 858 N LEU A 113 27.815 35.619 -8.895 1.00 61.92 N ATOM 859 CA LEU A 113 28.641 34.463 -8.559 1.00 57.74 C ATOM 860 C LEU A 113 29.829 34.349 -9.505 1.00 54.73 C ATOM 861 O LEU A 113 29.660 34.364 -10.727 1.00 56.23 O ATOM 862 CB LEU A 113 27.821 33.180 -8.605 1.00 52.72 C ATOM 863 CG LEU A 113 26.686 33.162 -7.599 1.00 56.63 C ATOM 864 CD1 LEU A 113 25.835 31.949 -7.811 1.00 51.92 C ATOM 865 CD2 LEU A 113 27.293 33.133 -6.227 1.00 57.19 C ATOM 866 H LEU A 113 27.084 35.523 -9.628 1.00 0.00 H ATOM 867 N LYS A 114 31.021 34.200 -8.941 1.00 52.53 N ATOM 868 CA LYS A 114 32.234 34.033 -9.727 1.00 56.65 C ATOM 869 C LYS A 114 32.860 32.681 -9.427 1.00 54.14 C ATOM 870 O LYS A 114 32.979 32.293 -8.258 1.00 56.17 O ATOM 871 CB LYS A 114 33.228 35.159 -9.444 1.00 53.87 C ATOM 872 CG LYS A 114 32.728 36.522 -9.889 1.00 57.81 C ATOM 873 CD LYS A 114 32.387 36.522 -11.372 1.00 60.21 C ATOM 874 CE LYS A 114 31.908 37.906 -11.820 1.00 64.60 C ATOM 875 NZ LYS A 114 30.532 38.203 -11.320 1.00 67.69 N ATOM 876 HZ1 LYS A 114 29.869 37.491 -11.689 1.00 0.00 H ATOM 877 HZ2 LYS A 114 30.529 38.176 -10.280 1.00 0.00 H ATOM 878 HZ3 LYS A 114 30.243 39.148 -11.644 1.00 0.00 H ATOM 879 H LYS A 114 31.090 34.203 -7.903 1.00 0.00 H ATOM 880 N ASN A 115 33.254 31.971 -10.491 1.00 51.48 N ATOM 881 CA ASN A 115 33.973 30.691 -10.392 1.00 52.81 C ATOM 882 C ASN A 115 33.161 29.638 -9.642 1.00 50.10 C ATOM 883 O ASN A 115 33.704 28.804 -8.917 1.00 48.15 O ATOM 884 CB ASN A 115 35.352 30.871 -9.756 1.00 50.17 C ATOM 885 CG ASN A 115 36.284 31.713 -10.628 1.00 64.38 C ATOM 886 OD1 ASN A 115 36.312 31.567 -11.860 1.00 57.63 O ATOM 887 ND2 ASN A 115 37.034 32.615 -9.993 1.00 65.06 N ATOM 888 HD22 ASN A 115 36.978 32.702 -8.958 1.00 0.00 H ATOM 889 HD21 ASN A 115 37.675 33.231 -10.533 1.00 0.00 H ATOM 890 H ASN A 115 33.041 32.344 -11.438 1.00 0.00 H ATOM 891 N TYR A 116 31.846 29.686 -9.821 1.00 48.98 N ATOM 892 CA TYR A 116 30.974 28.632 -9.337 1.00 46.47 C ATOM 893 C TYR A 116 31.155 27.394 -10.207 1.00 44.82 C ATOM 894 O TYR A 116 30.983 27.455 -11.425 1.00 45.77 O ATOM 895 CB TYR A 116 29.520 29.106 -9.367 1.00 43.69 C ATOM 896 CG TYR A 116 28.501 28.104 -8.849 1.00 46.51 C ATOM 897 CD1 TYR A 116 27.971 27.121 -9.677 1.00 42.12 C ATOM 898 CD2 TYR A 116 28.055 28.157 -7.529 1.00 45.37 C ATOM 899 CE1 TYR A 116 27.026 26.214 -9.207 1.00 41.18 C ATOM 900 CE2 TYR A 116 27.129 27.252 -7.050 1.00 42.76 C ATOM 901 CZ TYR A 116 26.614 26.279 -7.897 1.00 49.27 C ATOM 902 OH TYR A 116 25.679 25.369 -7.429 1.00 52.95 O ATOM 903 HH TYR A 116 25.424 24.754 -8.161 1.00 0.00 H ATOM 904 H TYR A 116 31.431 30.499 -10.320 1.00 0.00 H ATOM 905 N SER A 117 31.516 26.283 -9.590 1.00 40.14 N ATOM 906 CA SER A 117 31.365 24.972 -10.197 1.00 46.02 C ATOM 907 C SER A 117 30.627 24.090 -9.209 1.00 43.59 C ATOM 908 O SER A 117 30.672 24.319 -8.001 1.00 44.76 O ATOM 909 CB SER A 117 32.714 24.331 -10.567 1.00 44.83 C ATOM 910 OG SER A 117 33.528 24.174 -9.427 1.00 47.05 O ATOM 911 HG SER A 117 34.388 23.761 -9.691 1.00 0.00 H ATOM 912 H SER A 117 31.923 26.349 -8.635 1.00 0.00 H ATOM 913 N SER A 118 29.932 23.089 -9.724 1.00 45.36 N ATOM 914 CA SER A 118 29.285 22.139 -8.839 1.00 47.06 C ATOM 915 C SER A 118 29.293 20.767 -9.487 1.00 43.04 C ATOM 916 O SER A 118 29.531 20.622 -10.683 1.00 44.10 O ATOM 917 CB SER A 118 27.856 22.564 -8.499 1.00 43.85 C ATOM 918 OG SER A 118 26.992 22.285 -9.567 1.00 49.89 O ATOM 919 HG SER A 118 26.073 22.566 -9.329 1.00 0.00 H ATOM 920 H SER A 118 29.850 22.984 -10.755 1.00 0.00 H ATOM 921 N THR A 119 28.993 19.763 -8.673 1.00 44.15 N ATOM 922 CA THR A 119 29.010 18.372 -9.096 1.00 42.64 C ATOM 923 C THR A 119 27.876 17.680 -8.366 1.00 41.52 C ATOM 924 O THR A 119 27.883 17.640 -7.135 1.00 41.04 O ATOM 925 CB THR A 119 30.355 17.715 -8.752 1.00 41.56 C ATOM 926 OG1 THR A 119 31.359 18.175 -9.654 1.00 52.93 O ATOM 927 CG2 THR A 119 30.273 16.223 -8.839 1.00 34.98 C ATOM 928 HG1 THR A 119 32.224 17.749 -9.429 1.00 0.00 H ATOM 929 H THR A 119 28.734 19.981 -7.689 1.00 0.00 H ATOM 930 N ILE A 120 26.910 17.133 -9.094 1.00 38.72 N ATOM 931 CA ILE A 120 25.873 16.310 -8.480 1.00 39.49 C ATOM 932 C ILE A 120 26.156 14.863 -8.848 1.00 44.32 C ATOM 933 O ILE A 120 26.538 14.560 -9.987 1.00 47.05 O ATOM 934 CB ILE A 120 24.444 16.741 -8.885 1.00 45.24 C ATOM 935 CG1 ILE A 120 23.404 15.812 -8.244 1.00 50.08 C ATOM 936 CG2 ILE A 120 24.273 16.781 -10.385 1.00 39.65 C ATOM 937 CD1 ILE A 120 21.987 16.356 -8.233 1.00 42.69 C ATOM 938 H ILE A 120 26.892 17.294 -10.121 1.00 0.00 H ATOM 939 N SER A 121 26.031 13.979 -7.870 1.00 38.88 N ATOM 940 CA SER A 121 26.257 12.561 -8.081 1.00 42.87 C ATOM 941 C SER A 121 25.115 11.790 -7.441 1.00 42.90 C ATOM 942 O SER A 121 24.579 12.214 -6.412 1.00 44.45 O ATOM 943 CB SER A 121 27.602 12.121 -7.501 1.00 43.35 C ATOM 944 OG SER A 121 27.580 12.113 -6.087 1.00 44.30 O ATOM 945 HG SER A 121 26.882 11.485 -5.773 1.00 0.00 H ATOM 946 H SER A 121 25.763 14.311 -6.922 1.00 0.00 H ATOM 947 N LEU A 122 24.727 10.673 -8.060 1.00 44.67 N ATOM 948 CA LEU A 122 23.629 9.847 -7.571 1.00 44.84 C ATOM 949 C LEU A 122 24.156 8.517 -7.057 1.00 48.05 C ATOM 950 O LEU A 122 25.117 7.968 -7.604 1.00 50.97 O ATOM 951 CB LEU A 122 22.595 9.610 -8.660 1.00 40.10 C ATOM 952 CG LEU A 122 21.956 10.889 -9.197 1.00 45.70 C ATOM 953 CD1 LEU A 122 20.882 10.550 -10.221 1.00 43.92 C ATOM 954 CD2 LEU A 122 21.375 11.707 -8.064 1.00 44.69 C ATOM 955 H LEU A 122 25.227 10.381 -8.924 1.00 0.00 H ATOM 956 N HIS A 123 23.530 8.005 -5.994 1.00 47.97 N ATOM 957 CA HIS A 123 24.024 6.818 -5.306 1.00 49.35 C ATOM 958 C HIS A 123 22.854 5.954 -4.860 1.00 52.36 C ATOM 959 O HIS A 123 21.843 6.466 -4.368 1.00 50.64 O ATOM 960 CB HIS A 123 24.887 7.197 -4.094 1.00 43.23 C ATOM 961 CG HIS A 123 26.015 8.123 -4.428 1.00 47.23 C ATOM 962 ND1 HIS A 123 27.308 7.685 -4.622 1.00 46.31 N ATOM 963 CD2 HIS A 123 26.039 9.464 -4.625 1.00 42.11 C ATOM 964 CE1 HIS A 123 28.080 8.716 -4.919 1.00 44.29 C ATOM 965 NE2 HIS A 123 27.333 9.808 -4.929 1.00 42.60 N ATOM 966 H HIS A 123 22.665 8.466 -5.647 1.00 0.00 H ATOM 967 N SER A 124 22.999 4.645 -5.034 1.00 53.17 N ATOM 968 CA SER A 124 21.955 3.724 -4.612 1.00 55.25 C ATOM 969 C SER A 124 21.872 3.708 -3.093 1.00 56.32 C ATOM 970 O SER A 124 22.891 3.667 -2.397 1.00 55.08 O ATOM 971 CB SER A 124 22.221 2.316 -5.136 1.00 55.33 C ATOM 972 OG SER A 124 23.185 1.666 -4.324 1.00 68.90 O ATOM 973 HG SER A 124 22.848 1.609 -3.395 1.00 0.00 H ATOM 974 H SER A 124 23.865 4.276 -5.475 1.00 0.00 H ATOM 975 N GLU A 125 20.643 3.732 -2.587 1.00 58.74 N ATOM 976 CA GLU A 125 20.376 3.978 -1.174 1.00 59.51 C ATOM 977 C GLU A 125 19.054 3.298 -0.853 1.00 60.18 C ATOM 978 O GLU A 125 18.005 3.767 -1.303 1.00 57.64 O ATOM 979 CB GLU A 125 20.313 5.486 -0.893 1.00 53.00 C ATOM 980 CG GLU A 125 19.995 5.871 0.542 1.00 54.32 C ATOM 981 CD GLU A 125 21.189 5.695 1.459 1.00 60.21 C ATOM 982 OE1 GLU A 125 22.313 5.463 0.935 1.00 60.53 O ATOM 983 OE2 GLU A 125 21.007 5.789 2.702 1.00 62.69 O ATOM 984 H GLU A 125 19.838 3.569 -3.225 1.00 0.00 H ATOM 985 N THR A 126 19.099 2.194 -0.106 1.00 64.32 N ATOM 986 CA THR A 126 17.874 1.514 0.305 1.00 60.91 C ATOM 987 C THR A 126 17.114 2.366 1.319 1.00 67.98 C ATOM 988 O THR A 126 17.662 2.735 2.364 1.00 67.79 O ATOM 989 CB THR A 126 18.188 0.145 0.899 1.00 65.54 C ATOM 990 OG1 THR A 126 18.840 -0.678 -0.082 1.00 63.90 O ATOM 991 CG2 THR A 126 16.899 -0.527 1.353 1.00 64.27 C ATOM 992 HG1 THR A 126 19.040 -1.564 0.312 1.00 0.00 H ATOM 993 H THR A 126 20.020 1.812 0.188 1.00 0.00 H ATOM 994 N ILE A 127 15.849 2.667 1.002 1.00 74.45 N ATOM 995 CA ILE A 127 14.942 3.469 1.827 1.00 76.73 C ATOM 996 C ILE A 127 13.618 2.720 1.943 1.00 80.47 C ATOM 997 O ILE A 127 13.017 2.367 0.921 1.00 83.80 O ATOM 998 CB ILE A 127 14.679 4.870 1.221 1.00 78.32 C ATOM 999 CG1 ILE A 127 15.969 5.685 1.017 1.00 68.11 C ATOM 1000 CG2 ILE A 127 13.643 5.640 2.057 1.00 73.28 C ATOM 1001 CD1 ILE A 127 15.778 6.921 0.114 1.00 54.70 C ATOM 1002 H ILE A 127 15.481 2.303 0.100 1.00 0.00 H ATOM 1003 N ASP A 128 13.155 2.496 3.178 1.00 83.20 N ATOM 1004 CA ASP A 128 11.844 1.878 3.446 1.00 85.20 C ATOM 1005 C ASP A 128 11.754 0.455 2.886 1.00 81.16 C ATOM 1006 O ASP A 128 10.691 0.016 2.433 1.00 79.06 O ATOM 1007 CB ASP A 128 10.690 2.735 2.899 1.00 87.65 C ATOM 1008 CG ASP A 128 10.361 3.938 3.784 1.00 88.86 C ATOM 1009 OD1 ASP A 128 10.563 3.846 5.015 1.00 89.15 O ATOM 1010 OD2 ASP A 128 9.888 4.971 3.245 1.00 83.24 O ATOM 1011 H ASP A 128 13.748 2.771 3.987 1.00 0.00 H ATOM 1012 N GLY A 129 12.876 -0.274 2.916 1.00 78.29 N ATOM 1013 CA GLY A 129 12.947 -1.617 2.369 1.00 75.59 C ATOM 1014 C GLY A 129 13.062 -1.701 0.860 1.00 77.89 C ATOM 1015 O GLY A 129 13.432 -2.761 0.337 1.00 73.86 O ATOM 1016 H GLY A 129 13.729 0.137 3.347 1.00 0.00 H ATOM 1017 N LYS A 130 12.759 -0.623 0.144 1.00 79.98 N ATOM 1018 CA LYS A 130 12.869 -0.547 -1.304 1.00 77.43 C ATOM 1019 C LYS A 130 14.115 0.248 -1.686 1.00 74.52 C ATOM 1020 O LYS A 130 14.694 0.967 -0.867 1.00 72.25 O ATOM 1021 CB LYS A 130 11.614 0.102 -1.887 1.00 79.15 C ATOM 1022 CG LYS A 130 10.341 -0.273 -1.136 1.00 77.27 C ATOM 1023 CD LYS A 130 9.112 0.317 -1.792 1.00 78.21 C ATOM 1024 CE LYS A 130 7.874 0.000 -0.991 1.00 76.30 C ATOM 1025 NZ LYS A 130 6.642 0.462 -1.675 1.00 76.53 N ATOM 1026 HZ1 LYS A 130 6.688 1.492 -1.812 1.00 0.00 H ATOM 1027 HZ2 LYS A 130 6.563 -0.008 -2.599 1.00 0.00 H ATOM 1028 HZ3 LYS A 130 5.814 0.225 -1.092 1.00 0.00 H ATOM 1029 H LYS A 130 12.422 0.220 0.652 1.00 0.00 H ATOM 1030 N THR A 131 14.544 0.098 -2.935 1.00 70.28 N ATOM 1031 CA THR A 131 15.735 0.810 -3.373 1.00 70.67 C ATOM 1032 C THR A 131 15.385 2.250 -3.719 1.00 70.05 C ATOM 1033 O THR A 131 14.367 2.530 -4.360 1.00 65.78 O ATOM 1034 CB THR A 131 16.397 0.129 -4.573 1.00 65.68 C ATOM 1035 OG1 THR A 131 15.573 0.288 -5.731 1.00 70.49 O ATOM 1036 CG2 THR A 131 16.630 -1.354 -4.286 1.00 70.22 C ATOM 1037 HG1 THR A 131 15.457 1.252 -5.922 1.00 0.00 H ATOM 1038 H THR A 131 14.033 -0.523 -3.594 1.00 0.00 H ATOM 1039 N GLY A 132 16.228 3.167 -3.273 1.00 63.02 N ATOM 1040 CA GLY A 132 16.018 4.561 -3.581 1.00 60.32 C ATOM 1041 C GLY A 132 17.287 5.190 -4.103 1.00 51.69 C ATOM 1042 O GLY A 132 18.223 4.493 -4.497 1.00 48.63 O ATOM 1043 H GLY A 132 17.046 2.882 -2.698 1.00 0.00 H ATOM 1044 N THR A 133 17.334 6.509 -4.088 1.00 52.61 N ATOM 1045 CA THR A 133 18.469 7.246 -4.608 1.00 51.36 C ATOM 1046 C THR A 133 18.878 8.312 -3.610 1.00 47.33 C ATOM 1047 O THR A 133 18.026 8.971 -3.004 1.00 48.54 O ATOM 1048 CB THR A 133 18.122 7.874 -5.946 1.00 50.76 C ATOM 1049 OG1 THR A 133 17.718 6.837 -6.843 1.00 51.05 O ATOM 1050 CG2 THR A 133 19.316 8.615 -6.519 1.00 43.38 C ATOM 1051 HG1 THR A 133 16.927 6.371 -6.472 1.00 0.00 H ATOM 1052 H THR A 133 16.531 7.037 -3.690 1.00 0.00 H ATOM 1053 N LEU A 134 20.179 8.460 -3.427 1.00 44.31 N ATOM 1054 CA LEU A 134 20.727 9.519 -2.592 1.00 50.12 C ATOM 1055 C LEU A 134 21.423 10.495 -3.525 1.00 46.42 C ATOM 1056 O LEU A 134 22.437 10.156 -4.139 1.00 50.72 O ATOM 1057 CB LEU A 134 21.694 8.987 -1.537 1.00 48.06 C ATOM 1058 CG LEU A 134 22.425 10.142 -0.831 1.00 47.83 C ATOM 1059 CD1 LEU A 134 21.425 11.056 -0.129 1.00 44.25 C ATOM 1060 CD2 LEU A 134 23.483 9.633 0.137 1.00 45.39 C ATOM 1061 H LEU A 134 20.832 7.799 -3.894 1.00 0.00 H ATOM 1062 N ALA A 135 20.871 11.697 -3.633 1.00 47.86 N ATOM 1063 CA ALA A 135 21.439 12.746 -4.467 1.00 44.33 C ATOM 1064 C ALA A 135 22.377 13.603 -3.627 1.00 44.60 C ATOM 1065 O ALA A 135 22.026 14.016 -2.514 1.00 48.52 O ATOM 1066 CB ALA A 135 20.325 13.594 -5.083 1.00 43.31 C ATOM 1067 H ALA A 135 20.000 11.897 -3.102 1.00 0.00 H ATOM 1068 N ILE A 136 23.575 13.849 -4.150 1.00 45.52 N ATOM 1069 CA ILE A 136 24.614 14.602 -3.447 1.00 46.77 C ATOM 1070 C ILE A 136 25.175 15.642 -4.408 1.00 42.64 C ATOM 1071 O ILE A 136 25.656 15.289 -5.488 1.00 43.76 O ATOM 1072 CB ILE A 136 25.741 13.690 -2.944 1.00 43.83 C ATOM 1073 CG1 ILE A 136 25.182 12.589 -2.042 1.00 46.15 C ATOM 1074 CG2 ILE A 136 26.800 14.513 -2.268 1.00 43.76 C ATOM 1075 CD1 ILE A 136 26.208 11.581 -1.587 1.00 41.44 C ATOM 1076 H ILE A 136 23.783 13.489 -5.103 1.00 0.00 H ATOM 1077 N GLU A 137 25.126 16.912 -4.018 1.00 42.97 N ATOM 1078 CA GLU A 137 25.601 18.014 -4.851 1.00 45.88 C ATOM 1079 C GLU A 137 26.579 18.849 -4.037 1.00 41.50 C ATOM 1080 O GLU A 137 26.183 19.474 -3.053 1.00 43.70 O ATOM 1081 CB GLU A 137 24.430 18.872 -5.344 1.00 41.55 C ATOM 1082 CG GLU A 137 24.854 20.074 -6.154 1.00 41.94 C ATOM 1083 CD GLU A 137 23.725 20.658 -6.990 1.00 48.01 C ATOM 1084 OE1 GLU A 137 22.701 19.968 -7.160 1.00 51.85 O ATOM 1085 OE2 GLU A 137 23.860 21.807 -7.477 1.00 49.31 O ATOM 1086 H GLU A 137 24.733 17.130 -3.080 1.00 0.00 H ATOM 1087 N SER A 138 27.843 18.866 -4.436 1.00 38.00 N ATOM 1088 CA SER A 138 28.836 19.742 -3.833 1.00 41.41 C ATOM 1089 C SER A 138 29.158 20.897 -4.775 1.00 44.96 C ATOM 1090 O SER A 138 29.162 20.725 -5.998 1.00 42.05 O ATOM 1091 CB SER A 138 30.102 18.962 -3.496 1.00 45.93 C ATOM 1092 OG SER A 138 29.823 17.949 -2.534 1.00 53.89 O ATOM 1093 HG SER A 138 29.473 18.367 -1.708 1.00 0.00 H ATOM 1094 H SER A 138 28.135 18.231 -5.206 1.00 0.00 H ATOM 1095 N PHE A 139 29.401 22.082 -4.207 1.00 43.31 N ATOM 1096 CA PHE A 139 29.701 23.271 -5.003 1.00 48.98 C ATOM 1097 C PHE A 139 30.862 24.032 -4.374 1.00 47.48 C ATOM 1098 O PHE A 139 31.127 23.919 -3.179 1.00 46.47 O ATOM 1099 CB PHE A 139 28.482 24.215 -5.134 1.00 43.42 C ATOM 1100 CG PHE A 139 28.131 24.921 -3.852 1.00 47.85 C ATOM 1101 CD1 PHE A 139 27.372 24.286 -2.883 1.00 43.66 C ATOM 1102 CD2 PHE A 139 28.583 26.212 -3.608 1.00 47.84 C ATOM 1103 CE1 PHE A 139 27.065 24.921 -1.691 1.00 49.15 C ATOM 1104 CE2 PHE A 139 28.298 26.849 -2.419 1.00 45.73 C ATOM 1105 CZ PHE A 139 27.527 26.205 -1.457 1.00 51.76 C ATOM 1106 H PHE A 139 29.376 22.161 -3.170 1.00 0.00 H ATOM 1107 N VAL A 140 31.555 24.814 -5.201 1.00 47.53 N ATOM 1108 CA VAL A 140 32.580 25.745 -4.743 1.00 48.53 C ATOM 1109 C VAL A 140 32.356 27.058 -5.493 1.00 49.60 C ATOM 1110 O VAL A 140 31.815 27.069 -6.602 1.00 47.09 O ATOM 1111 CB VAL A 140 34.016 25.167 -4.932 1.00 49.93 C ATOM 1112 CG1 VAL A 140 34.388 25.000 -6.408 1.00 48.87 C ATOM 1113 CG2 VAL A 140 35.057 26.025 -4.208 1.00 57.37 C ATOM 1114 H VAL A 140 31.356 24.758 -6.220 1.00 0.00 H ATOM 1115 N VAL A 141 32.706 28.179 -4.858 1.00 50.52 N ATOM 1116 CA VAL A 141 32.415 29.492 -5.437 1.00 52.31 C ATOM 1117 C VAL A 141 33.189 30.602 -4.722 1.00 53.33 C ATOM 1118 O VAL A 141 33.437 30.528 -3.515 1.00 54.56 O ATOM 1119 CB VAL A 141 30.898 29.778 -5.418 1.00 51.57 C ATOM 1120 CG1 VAL A 141 30.397 29.946 -3.994 1.00 52.74 C ATOM 1121 CG2 VAL A 141 30.559 31.016 -6.265 1.00 52.31 C ATOM 1122 H VAL A 141 33.192 28.119 -3.940 1.00 0.00 H ATOM 1123 N ASP A 142 33.590 31.628 -5.477 1.00 58.12 N ATOM 1124 CA ASP A 142 34.248 32.801 -4.907 1.00 62.16 C ATOM 1125 C ASP A 142 33.289 33.570 -4.006 1.00 60.34 C ATOM 1126 O ASP A 142 32.103 33.705 -4.312 1.00 56.08 O ATOM 1127 CB ASP A 142 34.731 33.749 -6.013 1.00 52.79 C ATOM 1128 CG ASP A 142 36.006 33.283 -6.700 1.00 58.08 C ATOM 1129 OD1 ASP A 142 36.553 32.218 -6.343 1.00 58.38 O ATOM 1130 OD2 ASP A 142 36.467 34.008 -7.614 1.00 61.91 O ATOM 1131 H ASP A 142 33.429 31.591 -6.504 1.00 0.00 H ATOM 1132 N VAL A 143 33.808 34.097 -2.906 1.00 63.20 N ATOM 1133 CA VAL A 143 33.053 35.085 -2.132 1.00 67.29 C ATOM 1134 C VAL A 143 33.221 36.447 -2.796 1.00 67.28 C ATOM 1135 O VAL A 143 34.356 36.820 -3.139 1.00 64.83 O ATOM 1136 CB VAL A 143 33.537 35.121 -0.689 1.00 67.89 C ATOM 1137 CG1 VAL A 143 32.733 36.136 0.101 1.00 70.58 C ATOM 1138 CG2 VAL A 143 33.462 33.742 -0.059 1.00 67.89 C ATOM 1139 H VAL A 143 34.756 33.808 -2.591 1.00 0.00 H ATOM 1140 N PRO A 144 32.143 37.202 -3.021 1.00 74.21 N ATOM 1141 CA PRO A 144 32.306 38.585 -3.493 1.00 77.67 C ATOM 1142 C PRO A 144 33.159 39.392 -2.524 1.00 83.64 C ATOM 1143 O PRO A 144 33.193 39.114 -1.321 1.00 83.11 O ATOM 1144 CB PRO A 144 30.869 39.112 -3.554 1.00 75.47 C ATOM 1145 CG PRO A 144 30.047 37.881 -3.786 1.00 69.23 C ATOM 1146 CD PRO A 144 30.728 36.790 -2.997 1.00 67.28 C ATOM 1147 N GLU A 145 33.884 40.379 -3.070 1.00 92.04 N ATOM 1148 CA GLU A 145 34.707 41.258 -2.237 1.00 93.53 C ATOM 1149 C GLU A 145 33.875 41.834 -1.104 1.00 91.50 C ATOM 1150 O GLU A 145 34.195 41.663 0.078 1.00 90.30 O ATOM 1151 CB GLU A 145 35.311 42.394 -3.073 1.00 96.45 C ATOM 1152 CG GLU A 145 36.444 41.998 -4.013 1.00102.88 C ATOM 1153 CD GLU A 145 36.792 43.101 -5.017 1.00 98.84 C ATOM 1154 OE1 GLU A 145 36.171 44.186 -4.969 1.00 90.38 O ATOM 1155 OE2 GLU A 145 37.687 42.876 -5.860 1.00101.06 O ATOM 1156 H GLU A 145 33.861 40.522 -4.100 1.00 0.00 H ATOM 1157 N GLY A 146 32.781 42.502 -1.461 1.00 92.83 N ATOM 1158 CA GLY A 146 31.828 42.988 -0.488 1.00 96.89 C ATOM 1159 C GLY A 146 30.748 41.976 -0.157 1.00 94.47 C ATOM 1160 O GLY A 146 29.584 42.148 -0.545 1.00 91.97 O ATOM 1161 H GLY A 146 32.606 42.680 -2.471 1.00 0.00 H ATOM 1162 N ASN A 147 31.137 40.913 0.549 1.00 90.00 N ATOM 1163 CA ASN A 147 30.203 39.944 1.107 1.00 84.38 C ATOM 1164 C ASN A 147 30.968 38.999 2.021 1.00 81.53 C ATOM 1165 O ASN A 147 32.199 38.914 1.967 1.00 80.69 O ATOM 1166 CB ASN A 147 29.460 39.171 0.019 1.00 77.15 C ATOM 1167 CG ASN A 147 28.009 39.576 -0.068 1.00 83.79 C ATOM 1168 OD1 ASN A 147 27.410 39.962 0.936 1.00 91.63 O ATOM 1169 ND2 ASN A 147 27.436 39.505 -1.260 1.00 81.47 N ATOM 1170 HD22 ASN A 147 27.982 39.173 -2.080 1.00 0.00 H ATOM 1171 HD21 ASN A 147 26.440 39.782 -1.376 1.00 0.00 H ATOM 1172 H ASN A 147 32.155 40.769 0.709 1.00 0.00 H ATOM 1173 N THR A 148 30.219 38.302 2.870 1.00 81.09 N ATOM 1174 CA THR A 148 30.786 37.390 3.856 1.00 80.94 C ATOM 1175 C THR A 148 30.873 35.976 3.300 1.00 77.46 C ATOM 1176 O THR A 148 30.091 35.587 2.427 1.00 69.55 O ATOM 1177 CB THR A 148 29.930 37.367 5.122 1.00 80.67 C ATOM 1178 OG1 THR A 148 29.573 38.710 5.483 1.00 86.71 O ATOM 1179 CG2 THR A 148 30.672 36.678 6.272 1.00 77.77 C ATOM 1180 HG1 THR A 148 29.060 39.124 4.744 1.00 0.00 H ATOM 1181 H THR A 148 29.186 38.412 2.829 1.00 0.00 H ATOM 1182 N LYS A 149 31.828 35.203 3.831 1.00 76.25 N ATOM 1183 CA LYS A 149 31.868 33.774 3.539 1.00 72.35 C ATOM 1184 C LYS A 149 30.596 33.093 4.016 1.00 73.22 C ATOM 1185 O LYS A 149 29.959 32.341 3.271 1.00 71.46 O ATOM 1186 CB LYS A 149 33.090 33.129 4.188 1.00 74.00 C ATOM 1187 CG LYS A 149 33.128 31.615 4.030 1.00 72.59 C ATOM 1188 CD LYS A 149 34.468 31.041 4.467 1.00 75.21 C ATOM 1189 CE LYS A 149 35.604 31.640 3.657 1.00 73.92 C ATOM 1190 NZ LYS A 149 36.868 30.877 3.824 1.00 71.04 N ATOM 1191 HZ1 LYS A 149 37.145 30.882 4.826 1.00 0.00 H ATOM 1192 HZ2 LYS A 149 36.724 29.897 3.508 1.00 0.00 H ATOM 1193 HZ3 LYS A 149 37.617 31.320 3.254 1.00 0.00 H ATOM 1194 H LYS A 149 32.546 35.623 4.455 1.00 0.00 H ATOM 1195 N GLU A 150 30.208 33.348 5.263 1.00 79.48 N ATOM 1196 CA GLU A 150 29.003 32.724 5.787 1.00 73.66 C ATOM 1197 C GLU A 150 27.779 33.199 5.024 1.00 68.67 C ATOM 1198 O GLU A 150 26.874 32.410 4.735 1.00 65.77 O ATOM 1199 CB GLU A 150 28.874 33.021 7.281 1.00 77.65 C ATOM 1200 CG GLU A 150 30.178 32.801 8.041 1.00 77.12 C ATOM 1201 CD GLU A 150 29.964 32.270 9.449 1.00 84.58 C ATOM 1202 OE1 GLU A 150 28.796 32.143 9.880 1.00 83.10 O ATOM 1203 OE2 GLU A 150 30.971 31.974 10.130 1.00 95.26 O ATOM 1204 H GLU A 150 30.765 33.991 5.861 1.00 0.00 H ATOM 1205 N GLU A 151 27.752 34.479 4.653 1.00 73.23 N ATOM 1206 CA GLU A 151 26.588 35.029 3.967 1.00 71.93 C ATOM 1207 C GLU A 151 26.460 34.487 2.551 1.00 68.53 C ATOM 1208 O GLU A 151 25.340 34.299 2.060 1.00 66.56 O ATOM 1209 CB GLU A 151 26.672 36.554 3.956 1.00 75.61 C ATOM 1210 CG GLU A 151 25.401 37.263 3.543 1.00 79.36 C ATOM 1211 CD GLU A 151 25.482 38.755 3.795 1.00 88.64 C ATOM 1212 OE1 GLU A 151 26.501 39.199 4.378 1.00 86.93 O ATOM 1213 OE2 GLU A 151 24.530 39.478 3.415 1.00 95.04 O ATOM 1214 H GLU A 151 28.568 35.091 4.854 1.00 0.00 H ATOM 1215 N THR A 152 27.594 34.239 1.892 1.00 71.73 N ATOM 1216 CA THR A 152 27.605 33.677 0.543 1.00 68.03 C ATOM 1217 C THR A 152 27.185 32.213 0.559 1.00 66.53 C ATOM 1218 O THR A 152 26.147 31.838 -0.007 1.00 62.73 O ATOM 1219 CB THR A 152 29.011 33.809 -0.067 1.00 71.38 C ATOM 1220 OG1 THR A 152 29.326 35.185 -0.330 1.00 73.63 O ATOM 1221 CG2 THR A 152 29.119 33.022 -1.368 1.00 71.16 C ATOM 1222 HG1 THR A 152 29.296 35.697 0.517 1.00 0.00 H ATOM 1223 H THR A 152 28.501 34.453 2.354 1.00 0.00 H ATOM 1224 N CYS A 153 28.008 31.375 1.196 1.00 58.10 N ATOM 1225 CA CYS A 153 27.823 29.942 1.391 1.00 58.69 C ATOM 1226 C CYS A 153 26.379 29.566 1.706 1.00 59.41 C ATOM 1227 O CYS A 153 25.849 28.578 1.184 1.00 55.14 O ATOM 1228 CB CYS A 153 28.752 29.491 2.526 1.00 69.53 C ATOM 1229 SG CYS A 153 29.197 27.741 2.631 1.00 90.73 S ATOM 1230 H CYS A 153 28.874 31.790 1.596 1.00 0.00 H ATOM 1231 N PHE A 154 25.724 30.364 2.540 1.00 56.32 N ATOM 1232 CA PHE A 154 24.403 29.999 3.025 1.00 56.78 C ATOM 1233 C PHE A 154 23.323 30.235 1.974 1.00 55.28 C ATOM 1234 O PHE A 154 22.387 29.437 1.846 1.00 49.88 O ATOM 1235 CB PHE A 154 24.092 30.779 4.300 1.00 60.84 C ATOM 1236 CG PHE A 154 22.696 30.606 4.761 1.00 62.51 C ATOM 1237 CD1 PHE A 154 22.269 29.377 5.241 1.00 62.56 C ATOM 1238 CD2 PHE A 154 21.791 31.654 4.682 1.00 58.75 C ATOM 1239 CE1 PHE A 154 20.963 29.199 5.651 1.00 66.57 C ATOM 1240 CE2 PHE A 154 20.486 31.489 5.096 1.00 56.93 C ATOM 1241 CZ PHE A 154 20.067 30.266 5.573 1.00 61.68 C ATOM 1242 H PHE A 154 26.159 31.257 2.849 1.00 0.00 H ATOM 1243 N PHE A 155 23.443 31.314 1.209 1.00 60.25 N ATOM 1244 CA PHE A 155 22.444 31.605 0.190 1.00 56.72 C ATOM 1245 C PHE A 155 22.406 30.515 -0.886 1.00 55.30 C ATOM 1246 O PHE A 155 21.332 30.162 -1.385 1.00 54.45 O ATOM 1247 CB PHE A 155 22.743 32.973 -0.423 1.00 61.56 C ATOM 1248 CG PHE A 155 21.686 33.456 -1.375 1.00 67.48 C ATOM 1249 CD1 PHE A 155 20.350 33.094 -1.195 1.00 65.66 C ATOM 1250 CD2 PHE A 155 22.026 34.260 -2.456 1.00 63.21 C ATOM 1251 CE1 PHE A 155 19.375 33.536 -2.074 1.00 62.98 C ATOM 1252 CE2 PHE A 155 21.063 34.707 -3.344 1.00 66.93 C ATOM 1253 CZ PHE A 155 19.735 34.345 -3.155 1.00 68.55 C ATOM 1254 H PHE A 155 24.253 31.953 1.338 1.00 0.00 H ATOM 1255 N VAL A 156 23.566 29.957 -1.243 1.00 53.93 N ATOM 1256 CA VAL A 156 23.620 28.946 -2.300 1.00 49.65 C ATOM 1257 C VAL A 156 23.090 27.606 -1.797 1.00 49.94 C ATOM 1258 O VAL A 156 22.366 26.899 -2.512 1.00 47.47 O ATOM 1259 CB VAL A 156 25.059 28.813 -2.838 1.00 48.63 C ATOM 1260 CG1 VAL A 156 25.161 27.639 -3.793 1.00 50.27 C ATOM 1261 CG2 VAL A 156 25.489 30.098 -3.522 1.00 48.70 C ATOM 1262 H VAL A 156 24.443 30.245 -0.763 1.00 0.00 H ATOM 1263 N GLU A 157 23.457 27.227 -0.569 1.00 48.69 N ATOM 1264 CA GLU A 157 22.908 26.019 0.040 1.00 48.82 C ATOM 1265 C GLU A 157 21.389 26.007 -0.042 1.00 48.49 C ATOM 1266 O GLU A 157 20.792 25.048 -0.539 1.00 47.65 O ATOM 1267 CB GLU A 157 23.363 25.899 1.500 1.00 47.13 C ATOM 1268 CG GLU A 157 24.853 25.562 1.687 1.00 50.75 C ATOM 1269 CD GLU A 157 25.327 25.707 3.133 1.00 56.16 C ATOM 1270 OE1 GLU A 157 24.541 25.417 4.065 1.00 53.69 O ATOM 1271 OE2 GLU A 157 26.487 26.124 3.333 1.00 59.77 O ATOM 1272 H GLU A 157 24.144 27.801 -0.039 1.00 0.00 H ATOM 1273 N ALA A 158 20.744 27.080 0.426 1.00 49.10 N ATOM 1274 CA ALA A 158 19.283 27.104 0.449 1.00 48.82 C ATOM 1275 C ALA A 158 18.703 26.907 -0.943 1.00 47.88 C ATOM 1276 O ALA A 158 17.704 26.199 -1.112 1.00 55.03 O ATOM 1277 CB ALA A 158 18.784 28.414 1.057 1.00 48.66 C ATOM 1278 H ALA A 158 21.282 27.899 0.774 1.00 0.00 H ATOM 1279 N LEU A 159 19.317 27.520 -1.954 1.00 43.76 N ATOM 1280 CA LEU A 159 18.844 27.352 -3.323 1.00 46.32 C ATOM 1281 C LEU A 159 19.016 25.912 -3.797 1.00 45.83 C ATOM 1282 O LEU A 159 18.144 25.368 -4.488 1.00 48.91 O ATOM 1283 CB LEU A 159 19.586 28.318 -4.251 1.00 44.79 C ATOM 1284 CG LEU A 159 19.445 29.792 -3.899 1.00 52.52 C ATOM 1285 CD1 LEU A 159 19.918 30.689 -5.039 1.00 52.83 C ATOM 1286 CD2 LEU A 159 17.986 30.076 -3.539 1.00 53.75 C ATOM 1287 H LEU A 159 20.142 28.124 -1.765 1.00 0.00 H ATOM 1288 N ILE A 160 20.137 25.284 -3.449 1.00 44.19 N ATOM 1289 CA ILE A 160 20.386 23.920 -3.898 1.00 46.25 C ATOM 1290 C ILE A 160 19.426 22.957 -3.216 1.00 45.05 C ATOM 1291 O ILE A 160 18.847 22.070 -3.862 1.00 46.55 O ATOM 1292 CB ILE A 160 21.857 23.549 -3.646 1.00 42.41 C ATOM 1293 CG1 ILE A 160 22.757 24.324 -4.608 1.00 46.00 C ATOM 1294 CG2 ILE A 160 22.076 22.065 -3.812 1.00 42.88 C ATOM 1295 CD1 ILE A 160 24.212 23.980 -4.483 1.00 44.07 C ATOM 1296 H ILE A 160 20.838 25.769 -2.854 1.00 0.00 H ATOM 1297 N GLN A 161 19.215 23.131 -1.914 1.00 43.60 N ATOM 1298 CA GLN A 161 18.274 22.271 -1.201 1.00 51.52 C ATOM 1299 C GLN A 161 16.878 22.384 -1.797 1.00 47.27 C ATOM 1300 O GLN A 161 16.187 21.376 -1.959 1.00 51.98 O ATOM 1301 CB GLN A 161 18.268 22.617 0.290 1.00 50.93 C ATOM 1302 CG GLN A 161 17.642 21.568 1.188 1.00 46.66 C ATOM 1303 CD GLN A 161 18.396 20.245 1.181 1.00 55.74 C ATOM 1304 OE1 GLN A 161 19.532 20.162 1.648 1.00 60.41 O ATOM 1305 NE2 GLN A 161 17.766 19.202 0.646 1.00 53.39 N ATOM 1306 HE22 GLN A 161 16.806 19.315 0.262 1.00 0.00 H ATOM 1307 HE21 GLN A 161 18.234 18.274 0.612 1.00 0.00 H ATOM 1308 H GLN A 161 19.722 23.882 -1.402 1.00 0.00 H ATOM 1309 N CYS A 162 16.455 23.602 -2.153 1.00 48.37 N ATOM 1310 CA CYS A 162 15.216 23.767 -2.905 1.00 48.41 C ATOM 1311 C CYS A 162 15.256 22.956 -4.188 1.00 48.64 C ATOM 1312 O CYS A 162 14.298 22.242 -4.509 1.00 49.61 O ATOM 1313 CB CYS A 162 14.957 25.238 -3.235 1.00 48.42 C ATOM 1314 SG CYS A 162 14.287 26.259 -1.903 1.00 60.20 S ATOM 1315 H CYS A 162 17.014 24.439 -1.891 1.00 0.00 H ATOM 1316 N ASN A 163 16.359 23.057 -4.942 1.00 46.50 N ATOM 1317 CA ASN A 163 16.462 22.296 -6.186 1.00 47.00 C ATOM 1318 C ASN A 163 16.365 20.803 -5.923 1.00 46.76 C ATOM 1319 O ASN A 163 15.754 20.075 -6.709 1.00 49.54 O ATOM 1320 CB ASN A 163 17.757 22.627 -6.931 1.00 43.66 C ATOM 1321 CG ASN A 163 17.707 23.989 -7.597 1.00 47.43 C ATOM 1322 OD1 ASN A 163 16.633 24.497 -7.896 1.00 46.61 O ATOM 1323 ND2 ASN A 163 18.866 24.590 -7.820 1.00 46.73 N ATOM 1324 HD22 ASN A 163 19.755 24.122 -7.550 1.00 0.00 H ATOM 1325 HD21 ASN A 163 18.887 25.530 -8.265 1.00 0.00 H ATOM 1326 H ASN A 163 17.140 23.675 -4.643 1.00 0.00 H ATOM 1327 N LEU A 164 16.920 20.331 -4.798 1.00 48.53 N ATOM 1328 CA LEU A 164 16.918 18.895 -4.531 1.00 45.53 C ATOM 1329 C LEU A 164 15.616 18.421 -3.906 1.00 47.70 C ATOM 1330 O LEU A 164 15.241 17.261 -4.098 1.00 45.55 O ATOM 1331 CB LEU A 164 18.077 18.507 -3.621 1.00 43.73 C ATOM 1332 CG LEU A 164 19.478 18.693 -4.179 1.00 46.56 C ATOM 1333 CD1 LEU A 164 20.492 18.625 -3.040 1.00 40.55 C ATOM 1334 CD2 LEU A 164 19.774 17.654 -5.243 1.00 40.49 C ATOM 1335 H LEU A 164 17.352 20.987 -4.116 1.00 0.00 H ATOM 1336 N ASN A 165 14.936 19.265 -3.124 1.00 47.23 N ATOM 1337 CA ASN A 165 13.586 18.909 -2.692 1.00 51.70 C ATOM 1338 C ASN A 165 12.683 18.721 -3.908 1.00 48.02 C ATOM 1339 O ASN A 165 11.974 17.718 -4.029 1.00 51.74 O ATOM 1340 CB ASN A 165 13.021 19.985 -1.748 1.00 51.11 C ATOM 1341 CG ASN A 165 13.723 20.018 -0.398 1.00 56.54 C ATOM 1342 OD1 ASN A 165 14.078 18.975 0.165 1.00 60.05 O ATOM 1343 ND2 ASN A 165 13.922 21.221 0.135 1.00 58.54 N ATOM 1344 HD22 ASN A 165 13.608 22.073 -0.372 1.00 0.00 H ATOM 1345 HD21 ASN A 165 14.392 21.309 1.059 1.00 0.00 H ATOM 1346 H ASN A 165 15.363 20.165 -2.826 1.00 0.00 H ATOM 1347 N SER A 166 12.746 19.668 -4.844 1.00 45.07 N ATOM 1348 CA SER A 166 11.958 19.609 -6.066 1.00 47.56 C ATOM 1349 C SER A 166 12.377 18.441 -6.960 1.00 49.55 C ATOM 1350 O SER A 166 11.535 17.827 -7.622 1.00 51.06 O ATOM 1351 CB SER A 166 12.096 20.941 -6.802 1.00 45.90 C ATOM 1352 OG SER A 166 11.432 20.912 -8.052 1.00 58.59 O ATOM 1353 HG SER A 166 11.540 21.787 -8.502 1.00 0.00 H ATOM 1354 H SER A 166 13.381 20.478 -4.696 1.00 0.00 H ATOM 1355 N LEU A 167 13.673 18.136 -7.023 1.00 49.49 N ATOM 1356 CA LEU A 167 14.102 16.944 -7.752 1.00 50.34 C ATOM 1357 C LEU A 167 13.453 15.696 -7.176 1.00 50.01 C ATOM 1358 O LEU A 167 13.040 14.799 -7.923 1.00 49.65 O ATOM 1359 CB LEU A 167 15.623 16.798 -7.712 1.00 43.24 C ATOM 1360 CG LEU A 167 16.145 15.545 -8.429 1.00 47.59 C ATOM 1361 CD1 LEU A 167 16.020 15.686 -9.954 1.00 38.35 C ATOM 1362 CD2 LEU A 167 17.585 15.244 -8.039 1.00 40.41 C ATOM 1363 H LEU A 167 14.376 18.743 -6.556 1.00 0.00 H ATOM 1364 N ALA A 168 13.338 15.632 -5.845 1.00 44.02 N ATOM 1365 CA ALA A 168 12.721 14.471 -5.214 1.00 47.68 C ATOM 1366 C ALA A 168 11.239 14.404 -5.541 1.00 49.37 C ATOM 1367 O ALA A 168 10.704 13.319 -5.800 1.00 49.09 O ATOM 1368 CB ALA A 168 12.941 14.504 -3.698 1.00 44.77 C ATOM 1369 H ALA A 168 13.690 16.414 -5.257 1.00 0.00 H ATOM 1370 N ASP A 169 10.564 15.554 -5.542 1.00 48.88 N ATOM 1371 CA ASP A 169 9.149 15.581 -5.888 1.00 52.58 C ATOM 1372 C ASP A 169 8.929 15.062 -7.301 1.00 54.73 C ATOM 1373 O ASP A 169 8.149 14.126 -7.522 1.00 58.27 O ATOM 1374 CB ASP A 169 8.602 17.002 -5.749 1.00 52.11 C ATOM 1375 CG ASP A 169 8.427 17.422 -4.305 1.00 59.89 C ATOM 1376 OD1 ASP A 169 8.326 16.527 -3.427 1.00 59.47 O ATOM 1377 OD2 ASP A 169 8.379 18.650 -4.056 1.00 61.07 O ATOM 1378 H ASP A 169 11.051 16.439 -5.294 1.00 0.00 H ATOM 1379 N VAL A 170 9.632 15.648 -8.268 1.00 50.39 N ATOM 1380 CA VAL A 170 9.414 15.304 -9.668 1.00 49.96 C ATOM 1381 C VAL A 170 9.638 13.814 -9.902 1.00 50.09 C ATOM 1382 O VAL A 170 8.824 13.149 -10.550 1.00 57.87 O ATOM 1383 CB VAL A 170 10.317 16.158 -10.566 1.00 46.14 C ATOM 1384 CG1 VAL A 170 10.239 15.667 -12.008 1.00 52.41 C ATOM 1385 CG2 VAL A 170 9.911 17.612 -10.455 1.00 47.72 C ATOM 1386 H VAL A 170 10.347 16.362 -8.021 1.00 0.00 H ATOM 1387 N THR A 171 10.734 13.261 -9.368 1.00 48.77 N ATOM 1388 CA THR A 171 11.029 11.851 -9.635 1.00 54.48 C ATOM 1389 C THR A 171 10.086 10.921 -8.879 1.00 53.89 C ATOM 1390 O THR A 171 9.702 9.871 -9.405 1.00 56.29 O ATOM 1391 CB THR A 171 12.485 11.512 -9.300 1.00 53.32 C ATOM 1392 OG1 THR A 171 12.820 11.996 -7.984 1.00 52.34 O ATOM 1393 CG2 THR A 171 13.424 12.100 -10.348 1.00 43.12 C ATOM 1394 HG1 THR A 171 12.701 12.978 -7.955 1.00 0.00 H ATOM 1395 H THR A 171 11.370 13.827 -8.770 1.00 0.00 H ATOM 1396 N GLU A 172 9.701 11.281 -7.648 1.00 53.12 N ATOM 1397 CA GLU A 172 8.708 10.481 -6.929 1.00 59.17 C ATOM 1398 C GLU A 172 7.358 10.503 -7.641 1.00 58.20 C ATOM 1399 O GLU A 172 6.684 9.470 -7.743 1.00 60.05 O ATOM 1400 CB GLU A 172 8.585 10.968 -5.478 1.00 50.43 C ATOM 1401 CG GLU A 172 9.811 10.596 -4.664 1.00 47.42 C ATOM 1402 CD GLU A 172 9.882 11.248 -3.306 1.00 52.49 C ATOM 1403 OE1 GLU A 172 10.901 11.020 -2.618 1.00 53.70 O ATOM 1404 OE2 GLU A 172 8.931 11.963 -2.909 1.00 52.79 O ATOM 1405 H GLU A 172 10.107 12.129 -7.203 1.00 0.00 H ATOM 1406 N ARG A 173 6.958 11.670 -8.156 1.00 58.42 N ATOM 1407 CA ARG A 173 5.738 11.760 -8.951 1.00 59.59 C ATOM 1408 C ARG A 173 5.845 10.927 -10.231 1.00 61.99 C ATOM 1409 O ARG A 173 4.874 10.282 -10.643 1.00 61.91 O ATOM 1410 CB ARG A 173 5.436 13.230 -9.261 1.00 59.43 C ATOM 1411 CG ARG A 173 4.136 13.477 -10.009 1.00 63.57 C ATOM 1412 CD ARG A 173 3.845 14.979 -10.146 1.00 75.87 C ATOM 1413 NE ARG A 173 2.917 15.478 -9.124 1.00 92.06 N ATOM 1414 CZ ARG A 173 2.445 16.727 -9.069 1.00 95.11 C ATOM 1415 NH1 ARG A 173 2.811 17.624 -9.980 1.00 81.92 N ATOM 1416 NH2 ARG A 173 1.601 17.086 -8.101 1.00 93.61 N ATOM 1417 HE ARG A 173 2.604 14.811 -8.390 1.00 0.00 H ATOM 1418 HH12 ARG A 173 2.440 18.595 -9.932 1.00 0.00 H ATOM 1419 HH11 ARG A 173 3.468 17.355 -10.740 1.00 0.00 H ATOM 1420 HH22 ARG A 173 1.237 18.059 -8.063 1.00 0.00 H ATOM 1421 HH21 ARG A 173 1.307 16.393 -7.384 1.00 0.00 H ATOM 1422 H ARG A 173 7.524 12.526 -7.988 1.00 0.00 H ATOM 1423 N LEU A 174 7.018 10.905 -10.870 1.00 58.46 N ATOM 1424 CA LEU A 174 7.176 10.033 -12.034 1.00 59.61 C ATOM 1425 C LEU A 174 7.128 8.567 -11.625 1.00 60.74 C ATOM 1426 O LEU A 174 6.457 7.756 -12.270 1.00 64.62 O ATOM 1427 CB LEU A 174 8.485 10.323 -12.770 1.00 55.85 C ATOM 1428 CG LEU A 174 8.772 11.692 -13.388 1.00 60.81 C ATOM 1429 CD1 LEU A 174 10.166 11.663 -14.024 1.00 57.99 C ATOM 1430 CD2 LEU A 174 7.725 12.105 -14.417 1.00 58.94 C ATOM 1431 H LEU A 174 7.807 11.499 -10.545 1.00 0.00 H ATOM 1432 N GLN A 175 7.836 8.206 -10.550 1.00 62.22 N ATOM 1433 CA GLN A 175 7.821 6.823 -10.089 1.00 63.95 C ATOM 1434 C GLN A 175 6.404 6.351 -9.802 1.00 65.39 C ATOM 1435 O GLN A 175 6.019 5.241 -10.191 1.00 67.32 O ATOM 1436 CB GLN A 175 8.696 6.664 -8.847 1.00 61.03 C ATOM 1437 CG GLN A 175 8.651 5.266 -8.227 1.00 59.12 C ATOM 1438 CD GLN A 175 9.098 4.175 -9.185 1.00 62.72 C ATOM 1439 OE1 GLN A 175 9.652 4.453 -10.249 1.00 61.90 O ATOM 1440 NE2 GLN A 175 8.858 2.919 -8.809 1.00 62.80 N ATOM 1441 HE22 GLN A 175 8.387 2.729 -7.901 1.00 0.00 H ATOM 1442 HE21 GLN A 175 9.142 2.129 -9.423 1.00 0.00 H ATOM 1443 H GLN A 175 8.400 8.915 -10.040 1.00 0.00 H ATOM 1444 N ALA A 176 5.611 7.190 -9.127 1.00 64.87 N ATOM 1445 CA ALA A 176 4.217 6.848 -8.846 1.00 65.87 C ATOM 1446 C ALA A 176 3.467 6.516 -10.131 1.00 73.80 C ATOM 1447 O ALA A 176 2.829 5.461 -10.242 1.00 76.19 O ATOM 1448 CB ALA A 176 3.527 7.998 -8.106 1.00 58.82 C ATOM 1449 H ALA A 176 5.991 8.100 -8.797 1.00 0.00 H ATOM 1450 N GLU A 177 3.565 7.396 -11.131 1.00 68.30 N ATOM 1451 CA GLU A 177 2.842 7.204 -12.380 1.00 71.22 C ATOM 1452 C GLU A 177 3.310 5.983 -13.164 1.00 71.98 C ATOM 1453 O GLU A 177 2.691 5.663 -14.180 1.00 78.20 O ATOM 1454 CB GLU A 177 2.954 8.463 -13.244 1.00 62.23 C ATOM 1455 CG GLU A 177 2.337 9.699 -12.587 1.00 65.72 C ATOM 1456 CD GLU A 177 2.671 10.992 -13.324 1.00 71.39 C ATOM 1457 OE1 GLU A 177 3.500 10.947 -14.257 1.00 67.21 O ATOM 1458 OE2 GLU A 177 2.103 12.053 -12.970 1.00 75.29 O ATOM 1459 H GLU A 177 4.169 8.234 -11.015 1.00 0.00 H ATOM 1460 N SER A 178 4.363 5.288 -12.718 1.00 77.51 N ATOM 1461 CA SER A 178 4.775 4.012 -13.306 1.00 75.79 C ATOM 1462 C SER A 178 3.931 2.850 -12.781 1.00 85.41 C ATOM 1463 O SER A 178 4.395 1.702 -12.758 1.00 85.32 O ATOM 1464 CB SER A 178 6.254 3.731 -13.017 1.00 72.97 C ATOM 1465 OG SER A 178 7.086 4.602 -13.746 1.00 69.31 O ATOM 1466 HG SER A 178 6.885 5.538 -13.493 1.00 0.00 H ATOM 1467 H SER A 178 4.911 5.670 -11.921 1.00 0.00 H ATOM 1468 N MET A 179 2.704 3.140 -12.341 1.00 85.25 N ATOM 1469 CA MET A 179 1.802 2.132 -11.786 1.00 79.28 C ATOM 1470 C MET A 179 0.363 2.509 -12.112 1.00 76.40 C ATOM 1471 O MET A 179 0.099 3.147 -13.136 1.00 78.64 O ATOM 1472 CB MET A 179 2.000 2.006 -10.273 1.00 81.75 C ATOM 1473 CG MET A 179 3.385 1.518 -9.868 1.00 82.22 C ATOM 1474 SD MET A 179 4.077 2.325 -8.413 1.00 82.72 S ATOM 1475 CE MET A 179 5.708 1.569 -8.338 1.00 71.12 C ATOM 1476 H MET A 179 2.376 4.125 -12.395 1.00 0.00 H TER 1477 MET A 179 HETATM 1478 O HOH 1 28.490 8.438 -8.415 1.00 46.17 O HETATM 1479 O HOH 2 28.920 5.386 -8.480 1.00 47.05 O HETATM 1480 O HOH 3 32.171 21.257 -12.260 1.00 48.30 O HETATM 1481 O HOH 4 16.208 26.543 -9.463 1.00 50.04 O HETATM 1482 O HOH 5 32.211 21.495 -2.616 1.00 50.09 O HETATM 1483 O HOH 6 24.331 34.160 -27.153 1.00 51.88 O HETATM 1484 O HOH 7 28.442 14.638 -5.397 1.00 45.85 O HETATM 1485 O HOH 8 21.649 28.623 -12.691 1.00 52.50 O HETATM 1486 O HOH 9 22.355 7.370 -18.681 1.00 52.31 O HETATM 1487 O HOH 10 11.877 12.313 -0.341 1.00 50.14 O HETATM 1488 O HOH 11 22.458 21.136 -13.409 1.00 51.84 O HETATM 1489 O HOH 12 33.609 16.399 -9.597 1.00 48.10 O HETATM 1490 O HOH 13 19.173 6.432 -16.582 1.00 50.38 O HETATM 1491 O HOH 14 21.649 18.651 2.916 1.00 49.86 O HETATM 1492 O HOH 15 16.516 36.609 -18.869 1.00 60.27 O HETATM 1493 O HOH 16 20.198 18.874 -14.426 1.00 56.61 O HETATM 1494 O HOH 17 21.185 33.197 -20.736 1.00 57.74 O HETATM 1495 O HOH 18 24.668 15.022 -28.010 1.00 65.08 O HETATM 1496 O HOH 19 29.709 1.303 -9.877 1.00 52.86 O HETATM 1497 O HOH 20 22.552 15.884 -29.669 1.00 57.29 O HETATM 1498 O HOH 21 25.460 17.611 4.585 1.00 45.34 O HETATM 1499 O HOH 22 23.835 20.968 -11.361 1.00 58.28 O HETATM 1500 O HOH 23 30.329 10.052 -7.072 1.00 45.31 O HETATM 1501 O HOH 24 12.352 33.164 -20.543 1.00 60.84 O HETATM 1502 CAA L A 6 20.900 32.206 -10.002 1.00 -0.01 C HETATM 1503 CAB L A 6 20.217 32.791 -8.941 1.00 0.09 C HETATM 1504 CAC L A 6 19.139 32.131 -8.363 1.00 -0.04 C HETATM 1505 CAD L A 6 18.734 30.888 -8.852 1.00 -0.05 C HETATM 1506 CAE L A 6 19.412 30.292 -9.912 1.00 -0.02 C HETATM 1507 CAF L A 6 20.490 30.966 -10.492 1.00 -0.04 C HETATM 1508 H3 L A 6 21.013 30.521 -11.331 1.00 0.05 H HETATM 1509 CAL L A 6 19.001 29.043 -10.406 1.00 0.07 C HETATM 1510 CAM L A 6 19.750 27.857 -9.749 1.00 0.19 C HETATM 1511 NAN L A 6 21.098 27.947 -9.715 1.00 -0.28 N HETATM 1512 CAO L A 6 22.003 26.889 -9.204 1.00 0.10 C HETATM 1513 CAS L A 6 21.840 26.683 -7.686 1.00 -0.02 C HETATM 1514 CAR L A 6 22.207 27.965 -6.975 1.00 -0.05 C HETATM 1515 CAQ L A 6 23.647 28.355 -7.296 1.00 -0.05 C HETATM 1516 CAU L A 6 23.800 28.568 -8.795 1.00 -0.05 C HETATM 1517 CAT L A 6 23.458 27.274 -9.508 1.00 -0.02 C HETATM 1518 H17 L A 6 23.582 27.410 -10.592 1.00 0.03 H HETATM 1519 H18 L A 6 24.129 26.475 -9.159 1.00 0.03 H HETATM 1520 H19 L A 6 24.837 28.854 -9.024 1.00 0.03 H HETATM 1521 H20 L A 6 23.118 29.365 -9.127 1.00 0.03 H HETATM 1522 H11 L A 6 24.324 27.552 -6.970 1.00 0.03 H HETATM 1523 H12 L A 6 23.900 29.286 -6.767 1.00 0.03 H HETATM 1524 H13 L A 6 21.532 28.768 -7.304 1.00 0.03 H HETATM 1525 H14 L A 6 22.104 27.820 -5.889 1.00 0.03 H HETATM 1526 H15 L A 6 22.503 25.872 -7.350 1.00 0.03 H HETATM 1527 H16 L A 6 20.796 26.421 -7.459 1.00 0.03 H HETATM 1528 CAV L A 6 21.695 25.586 -9.965 1.00 0.07 C HETATM 1529 OAW L A 6 21.356 25.700 -11.167 1.00 -0.55 O HETATM 1530 OAX L A 6 21.797 24.507 -9.336 1.00 -0.55 O HETATM 1531 H21 L A 6 21.515 28.788 -10.059 1.00 0.18 H HETATM 1532 OAP L A 6 19.117 26.902 -9.297 1.00 -0.39 O HETATM 1533 H9 L A 6 19.185 29.017 -11.490 1.00 0.07 H HETATM 1534 H10 L A 6 17.924 28.927 -10.214 1.00 0.07 H HETATM 1535 H2 L A 6 17.886 30.383 -8.403 1.00 0.05 H HETATM 1536 H1 L A 6 18.612 32.583 -7.531 1.00 0.07 H HETATM 1537 CAG L A 6 20.650 34.079 -8.455 1.00 0.09 C HETATM 1538 NAH L A 6 21.018 35.114 -8.081 1.00 -0.34 N HETATM 1539 CAI L A 6 21.974 32.895 -10.583 1.00 -0.00 C HETATM 1540 CAJ L A 6 22.717 32.171 -11.699 1.00 -0.04 C HETATM 1541 CAK L A 6 23.375 32.356 -10.333 1.00 -0.04 C HETATM 1542 H7 L A 6 23.521 31.490 -9.671 1.00 0.03 H HETATM 1543 H8 L A 6 24.220 33.051 -10.219 1.00 0.03 H HETATM 1544 H5 L A 6 23.087 32.733 -12.569 1.00 0.03 H HETATM 1545 H6 L A 6 22.389 31.172 -12.021 1.00 0.03 H HETATM 1546 H4 L A 6 21.778 33.977 -10.627 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1502 1503 1507 1539 CONECT 1503 1502 1504 1537 CONECT 1504 1503 1505 1536 CONECT 1505 1504 1506 1535 CONECT 1506 1505 1507 1509 CONECT 1507 1502 1506 1508 CONECT 1508 1507 CONECT 1509 1506 1510 1533 1534 CONECT 1510 1509 1511 1532 CONECT 1511 1510 1512 1531 CONECT 1512 1511 1513 1517 1528 CONECT 1513 1512 1514 1526 1527 CONECT 1514 1513 1515 1524 1525 CONECT 1515 1514 1516 1522 1523 CONECT 1516 1515 1517 1520 1521 CONECT 1517 1512 1516 1518 1519 CONECT 1518 1517 CONECT 1519 1517 CONECT 1520 1516 CONECT 1521 1516 CONECT 1522 1515 CONECT 1523 1515 CONECT 1524 1514 CONECT 1525 1514 CONECT 1526 1513 CONECT 1527 1513 CONECT 1528 1512 1529 1530 CONECT 1529 1528 CONECT 1530 1528 CONECT 1531 1511 CONECT 1532 1510 CONECT 1533 1509 CONECT 1534 1509 CONECT 1535 1505 CONECT 1536 1504 CONECT 1537 1503 1538 CONECT 1538 1537 CONECT 1539 1502 1540 1541 1546 CONECT 1540 1539 1541 1544 1545 CONECT 1541 1539 1540 1542 1543 CONECT 1542 1541 CONECT 1543 1541 CONECT 1544 1540 CONECT 1545 1540 CONECT 1546 1539 MASTER 0 0 0 0 0 0 0 0 1545 1 49 12 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6nwc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3rt0
RCSB PDB
PDBbind
183aa, >3RT0_2|Chains... *
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
6nwc
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Abscisic acid receptor PYL10
Ligand Name
L6P
EC.Number
E.C.-.-.-.-
Resolution
2.35(Å)
Affinity (Kd/Ki/IC50)
IC50=18nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Science Vol. 366: pp. 446
Ligand Properties
Formula
C
1
9
H
2
2
N
2
O
3
Molecular Weight
326.390
Exact Mass
326.163
No. of atoms
46
No. of bonds
48
Polar Surface Area
90.19
LOGP Value
3.84 (
Computed with XLOGP3
)
3.27 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
N#Cc1ccc(cc1C1CC1)CC(=O)NC1(CCCCC1)C(=O)O
InChI String
InChI=1S/C19H22N2O3/c20-12-15-5-4-13(10-16(15)14-6-7-14)11-17(22)21-19(18(23)24)8-2-1-3-9-19/h4-5,10,14H,1-3,6-9,11H2,(H,21,22)(H,23,24)
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):
Q8H1R0
Entrez Gene ID
NCBI Entrez Gene ID:
828905
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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