Browse entries in the PDBbind-CN Database
HEADER 5Z1S_COMPLEX COMPND 5Z1S_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 133 HIS HIS HIS HIS HIS LEU VAL PRO ARG GLY SER ASN PRO SEQRES 2 A 133 PRO PRO PRO GLU THR SER ASN PRO ASN LYS PRO LYS ARG SEQRES 3 A 133 GLN THR ASN GLN LEU GLN TYR LEU LEU ARG VAL VAL LEU SEQRES 4 A 133 LYS THR LEU TRP LYS HIS GLN PHE ALA TRP PRO PHE GLN SEQRES 5 A 133 GLN PRO VAL ASP ALA VAL LYS LEU ASN LEU PRO ASP TYR SEQRES 6 A 133 TYR LYS ILE ILE LYS THR PRO MET ASP MET GLY THR ILE SEQRES 7 A 133 LYS LYS ARG LEU GLU ASN ASN TYR TYR TRP ASN ALA GLN SEQRES 8 A 133 GLU CYS ILE GLN ASP PHE ASN THR MET PHE THR ASN CYS SEQRES 9 A 133 TYR ILE TYR ASN LYS PRO GLY ASP ASP ILE VAL LEU MET SEQRES 10 A 133 ALA GLU ALA LEU GLU LYS LEU PHE LEU GLN LYS ILE ASN SEQRES 11 A 133 GLU LEU PRO HET EFM A 197 47 ATOM 1 N HIS A 33 26.864 41.656 -7.885 1.00 40.20 N ATOM 2 CA HIS A 33 26.152 40.846 -8.920 1.00 38.27 C ATOM 3 C HIS A 33 24.867 40.206 -8.358 1.00 34.71 C ATOM 4 O HIS A 33 24.795 39.646 -7.248 1.00 33.08 O ATOM 5 CB HIS A 33 27.064 39.834 -9.629 1.00 36.64 C ATOM 6 CG HIS A 33 26.461 39.233 -10.869 1.00 41.67 C ATOM 7 HN3 HIS A 33 27.125 41.043 -7.086 1.00 0.00 H ATOM 8 HN2 HIS A 33 26.238 42.416 -7.550 1.00 0.00 H ATOM 9 HN1 HIS A 33 27.723 42.070 -8.301 1.00 0.00 H ATOM 10 N HIS A 34 23.836 40.333 -9.169 1.00 33.15 N ATOM 11 CA HIS A 34 22.466 40.068 -8.772 1.00 28.82 C ATOM 12 C HIS A 34 21.976 38.681 -9.236 1.00 27.83 C ATOM 13 O HIS A 34 20.782 38.392 -9.115 1.00 25.87 O ATOM 14 CB HIS A 34 21.547 41.140 -9.384 1.00 29.72 C ATOM 15 CG HIS A 34 21.953 42.539 -9.040 1.00 34.34 C ATOM 16 ND1 HIS A 34 22.145 42.949 -7.736 1.00 34.23 N ATOM 17 CD2 HIS A 34 22.162 43.631 -9.822 1.00 32.89 C ATOM 18 CE1 HIS A 34 22.473 44.234 -7.731 1.00 35.49 C ATOM 19 NE2 HIS A 34 22.504 44.661 -8.985 1.00 37.51 N ATOM 20 H HIS A 34 24.014 40.640 -10.147 1.00 0.00 H ATOM 21 N HIS A 35 22.884 37.847 -9.753 1.00 28.20 N ATOM 22 CA HIS A 35 22.587 36.441 -10.060 1.00 28.06 C ATOM 23 C HIS A 35 22.872 35.695 -8.772 1.00 27.62 C ATOM 24 O HIS A 35 24.030 35.645 -8.300 1.00 28.09 O ATOM 25 CB HIS A 35 23.469 35.863 -11.184 1.00 29.06 C ATOM 26 CG HIS A 35 22.926 34.590 -11.790 1.00 30.52 C ATOM 27 ND1 HIS A 35 21.993 33.789 -11.159 1.00 34.22 N ATOM 28 CD2 HIS A 35 23.176 33.989 -12.983 1.00 33.33 C ATOM 29 CE1 HIS A 35 21.682 32.758 -11.932 1.00 31.17 C ATOM 30 NE2 HIS A 35 22.382 32.862 -13.049 1.00 32.49 N ATOM 31 H HIS A 35 23.840 38.208 -9.946 1.00 0.00 H ATOM 32 N HIS A 36 21.811 35.183 -8.169 1.00 24.01 N ATOM 33 CA HIS A 36 21.902 34.479 -6.862 1.00 26.04 C ATOM 34 C HIS A 36 21.797 32.939 -7.002 1.00 27.79 C ATOM 35 O HIS A 36 21.791 32.226 -5.980 1.00 25.73 O ATOM 36 CB HIS A 36 20.850 35.049 -5.869 1.00 26.15 C ATOM 37 CG HIS A 36 21.134 36.473 -5.435 1.00 27.06 C ATOM 38 ND1 HIS A 36 20.434 37.098 -4.418 1.00 31.31 N ATOM 39 CD2 HIS A 36 22.037 37.382 -5.873 1.00 27.19 C ATOM 40 CE1 HIS A 36 20.889 38.326 -4.250 1.00 29.28 C ATOM 41 NE2 HIS A 36 21.889 38.513 -5.096 1.00 30.15 N ATOM 42 H HIS A 36 20.881 35.276 -8.625 1.00 0.00 H ATOM 43 N HIS A 37 21.801 32.449 -8.249 1.00 25.15 N ATOM 44 CA HIS A 37 21.704 31.010 -8.584 1.00 24.47 C ATOM 45 C HIS A 37 20.465 30.320 -7.984 1.00 24.40 C ATOM 46 O HIS A 37 20.530 29.175 -7.532 1.00 24.20 O ATOM 47 CB HIS A 37 22.973 30.272 -8.158 1.00 27.68 C ATOM 48 CG HIS A 37 24.215 31.014 -8.501 1.00 32.16 C ATOM 49 ND1 HIS A 37 24.940 30.779 -9.646 1.00 39.35 N ATOM 50 CD2 HIS A 37 24.818 32.053 -7.874 1.00 36.76 C ATOM 51 CE1 HIS A 37 25.959 31.622 -9.695 1.00 39.97 C ATOM 52 NE2 HIS A 37 25.909 32.405 -8.625 1.00 39.73 N ATOM 53 H HIS A 37 21.877 33.125 -9.035 1.00 0.00 H ATOM 54 N LEU A 38 19.343 31.034 -7.964 1.00 21.79 N ATOM 55 CA LEU A 38 18.059 30.460 -7.577 1.00 19.75 C ATOM 56 C LEU A 38 17.407 29.671 -8.717 1.00 21.99 C ATOM 57 O LEU A 38 16.440 28.943 -8.483 1.00 20.80 O ATOM 58 CB LEU A 38 17.137 31.611 -7.097 1.00 19.90 C ATOM 59 CG LEU A 38 17.646 32.354 -5.856 1.00 20.15 C ATOM 60 CD1 LEU A 38 16.831 33.578 -5.517 1.00 20.27 C ATOM 61 CD2 LEU A 38 17.667 31.447 -4.622 1.00 20.73 C ATOM 62 H LEU A 38 19.383 32.038 -8.234 1.00 0.00 H ATOM 63 N VAL A 39 17.916 29.841 -9.936 1.00 19.89 N ATOM 64 CA VAL A 39 17.573 29.012 -11.094 1.00 21.36 C ATOM 65 C VAL A 39 18.876 28.795 -11.905 1.00 23.62 C ATOM 66 O VAL A 39 19.853 29.576 -11.756 1.00 23.16 O ATOM 67 CB VAL A 39 16.443 29.656 -11.971 1.00 21.87 C ATOM 68 CG1 VAL A 39 15.092 29.504 -11.317 1.00 22.93 C ATOM 69 CG2 VAL A 39 16.740 31.119 -12.338 1.00 21.23 C ATOM 70 H VAL A 39 18.601 30.611 -10.075 1.00 0.00 H ATOM 71 N PRO A 40 18.938 27.733 -12.725 1.00 21.90 N ATOM 72 CA PRO A 40 17.921 26.680 -12.878 1.00 20.97 C ATOM 73 C PRO A 40 17.784 25.785 -11.638 1.00 21.52 C ATOM 74 O PRO A 40 18.650 25.816 -10.742 1.00 21.88 O ATOM 75 CB PRO A 40 18.458 25.873 -14.070 1.00 20.24 C ATOM 76 CG PRO A 40 19.907 25.980 -13.860 1.00 23.24 C ATOM 77 CD PRO A 40 20.125 27.440 -13.528 1.00 24.43 C ATOM 78 N ARG A 41 16.667 25.064 -11.586 1.00 20.29 N ATOM 79 CA ARG A 41 16.312 24.160 -10.477 1.00 21.47 C ATOM 80 C ARG A 41 16.715 22.693 -10.762 1.00 23.46 C ATOM 81 O ARG A 41 17.129 22.328 -11.869 1.00 23.54 O ATOM 82 CB ARG A 41 14.801 24.241 -10.182 1.00 23.89 C ATOM 83 CG ARG A 41 14.187 25.633 -10.155 1.00 24.90 C ATOM 84 CD ARG A 41 14.634 26.383 -8.914 1.00 23.79 C ATOM 85 NE ARG A 41 14.255 25.739 -7.639 1.00 21.57 N ATOM 86 CZ ARG A 41 14.607 26.226 -6.444 1.00 22.02 C ATOM 87 NH1 ARG A 41 14.241 25.601 -5.342 1.00 21.30 N ATOM 88 NH2 ARG A 41 15.332 27.358 -6.345 1.00 20.72 N ATOM 89 HE ARG A 41 13.689 24.867 -7.672 1.00 0.00 H ATOM 90 HH12 ARG A 41 14.515 25.981 -4.413 1.00 0.00 H ATOM 91 HH11 ARG A 41 13.678 24.729 -5.402 1.00 0.00 H ATOM 92 HH22 ARG A 41 15.598 27.725 -5.409 1.00 0.00 H ATOM 93 HH21 ARG A 41 15.625 27.865 -7.205 1.00 0.00 H ATOM 94 H ARG A 41 16.000 25.143 -12.380 1.00 0.00 H ATOM 95 N GLY A 42 16.677 21.902 -9.697 1.00 21.73 N ATOM 96 CA GLY A 42 16.725 20.430 -9.711 1.00 23.01 C ATOM 97 C GLY A 42 15.577 19.819 -10.471 1.00 23.52 C ATOM 98 O GLY A 42 14.648 20.533 -10.980 1.00 25.75 O ATOM 99 H GLY A 42 16.607 22.364 -8.768 1.00 0.00 H ATOM 100 N SER A 43 15.620 18.492 -10.572 1.00 20.40 N ATOM 101 CA SER A 43 14.583 17.799 -11.281 1.00 20.20 C ATOM 102 C SER A 43 14.886 16.318 -10.949 1.00 17.01 C ATOM 103 O SER A 43 15.933 15.953 -10.430 1.00 19.18 O ATOM 104 CB SER A 43 14.617 18.068 -12.831 1.00 19.28 C ATOM 105 OG SER A 43 15.964 17.805 -13.350 1.00 22.71 O ATOM 106 HG SER A 43 16.613 18.402 -12.899 1.00 0.00 H ATOM 107 H SER A 43 16.402 17.960 -10.139 1.00 0.00 H ATOM 108 N ASN A 44 13.923 15.547 -11.296 1.00 19.47 N ATOM 109 CA ASN A 44 14.055 14.119 -11.294 1.00 16.63 C ATOM 110 C ASN A 44 14.587 13.741 -12.651 1.00 16.27 C ATOM 111 O ASN A 44 14.299 14.390 -13.671 1.00 17.88 O ATOM 112 CB ASN A 44 12.677 13.523 -11.090 1.00 17.34 C ATOM 113 CG ASN A 44 12.149 13.766 -9.691 1.00 16.43 C ATOM 114 OD1 ASN A 44 12.837 13.610 -8.714 1.00 18.55 O ATOM 115 ND2 ASN A 44 10.892 14.196 -9.625 1.00 17.97 N ATOM 116 HD22 ASN A 44 10.337 14.315 -10.496 1.00 0.00 H ATOM 117 HD21 ASN A 44 10.464 14.413 -8.702 1.00 0.00 H ATOM 118 H ASN A 44 13.019 15.970 -11.588 1.00 0.00 H ATOM 119 N PRO A 45 15.369 12.682 -12.729 1.00 14.83 N ATOM 120 CA PRO A 45 15.776 12.190 -14.026 1.00 14.36 C ATOM 121 C PRO A 45 14.622 11.536 -14.767 1.00 15.33 C ATOM 122 O PRO A 45 13.608 11.196 -14.149 1.00 15.60 O ATOM 123 CB PRO A 45 16.807 11.100 -13.649 1.00 14.99 C ATOM 124 CG PRO A 45 16.216 10.545 -12.367 1.00 16.22 C ATOM 125 CD PRO A 45 15.589 11.708 -11.659 1.00 15.42 C ATOM 126 N PRO A 46 14.781 11.319 -16.069 1.00 15.87 N ATOM 127 CA PRO A 46 13.801 10.516 -16.757 1.00 17.48 C ATOM 128 C PRO A 46 13.721 9.111 -16.126 1.00 16.78 C ATOM 129 O PRO A 46 14.736 8.579 -15.711 1.00 16.85 O ATOM 130 CB PRO A 46 14.285 10.461 -18.171 1.00 19.74 C ATOM 131 CG PRO A 46 15.727 10.843 -18.156 1.00 20.01 C ATOM 132 CD PRO A 46 15.965 11.623 -16.878 1.00 16.74 C ATOM 133 N PRO A 47 12.510 8.563 -16.023 1.00 15.52 N ATOM 134 CA PRO A 47 12.352 7.262 -15.417 1.00 15.64 C ATOM 135 C PRO A 47 12.885 6.153 -16.296 1.00 15.17 C ATOM 136 O PRO A 47 13.118 6.350 -17.504 1.00 17.34 O ATOM 137 CB PRO A 47 10.814 7.153 -15.271 1.00 16.85 C ATOM 138 CG PRO A 47 10.336 7.847 -16.444 1.00 18.71 C ATOM 139 CD PRO A 47 11.267 9.005 -16.631 1.00 18.13 C ATOM 140 N PRO A 48 13.126 4.982 -15.719 1.00 14.45 N ATOM 141 CA PRO A 48 13.535 3.833 -16.541 1.00 14.68 C ATOM 142 C PRO A 48 12.516 3.535 -17.651 1.00 14.22 C ATOM 143 O PRO A 48 11.287 3.654 -17.464 1.00 14.71 O ATOM 144 CB PRO A 48 13.616 2.693 -15.529 1.00 14.74 C ATOM 145 CG PRO A 48 13.741 3.357 -14.218 1.00 15.88 C ATOM 146 CD PRO A 48 12.998 4.601 -14.293 1.00 15.34 C ATOM 147 N GLU A 49 13.023 3.022 -18.786 1.00 15.54 N ATOM 148 CA GLU A 49 12.123 2.630 -19.845 1.00 16.93 C ATOM 149 C GLU A 49 11.223 1.483 -19.437 1.00 14.56 C ATOM 150 O GLU A 49 11.621 0.615 -18.653 1.00 13.85 O ATOM 151 CB GLU A 49 12.890 2.281 -21.148 1.00 20.51 C ATOM 152 CG GLU A 49 13.611 0.969 -21.106 1.00 25.16 C ATOM 153 CD GLU A 49 14.380 0.640 -22.401 1.00 29.73 C ATOM 154 OE1 GLU A 49 14.963 -0.486 -22.554 1.00 28.81 O ATOM 155 OE2 GLU A 49 14.453 1.539 -23.251 1.00 31.60 O ATOM 156 H GLU A 49 14.051 2.909 -18.900 1.00 0.00 H ATOM 157 N THR A 50 9.990 1.499 -19.946 1.00 15.37 N ATOM 158 CA THR A 50 9.108 0.381 -19.792 1.00 15.64 C ATOM 159 C THR A 50 8.683 -0.271 -21.095 1.00 14.72 C ATOM 160 O THR A 50 7.959 -1.256 -21.050 1.00 17.06 O ATOM 161 CB THR A 50 7.877 0.772 -19.016 1.00 15.49 C ATOM 162 OG1 THR A 50 7.181 1.825 -19.708 1.00 18.12 O ATOM 163 CG2 THR A 50 8.324 1.243 -17.612 1.00 15.87 C ATOM 164 HG1 THR A 50 6.373 2.078 -19.194 1.00 0.00 H ATOM 165 H THR A 50 9.663 2.339 -20.464 1.00 0.00 H ATOM 166 N SER A 51 9.214 0.260 -22.185 1.00 15.38 N ATOM 167 CA SER A 51 8.993 -0.223 -23.536 1.00 18.10 C ATOM 168 C SER A 51 10.293 -0.100 -24.226 1.00 16.34 C ATOM 169 O SER A 51 11.089 0.803 -23.978 1.00 18.17 O ATOM 170 CB SER A 51 7.968 0.684 -24.245 1.00 20.61 C ATOM 171 OG SER A 51 6.707 0.208 -23.905 1.00 29.48 O ATOM 172 HG SER A 51 6.016 0.766 -24.342 1.00 0.00 H ATOM 173 H SER A 51 9.836 1.085 -22.065 1.00 0.00 H ATOM 174 N ASN A 52 10.493 -0.949 -25.188 1.00 15.68 N ATOM 175 CA ASN A 52 11.671 -0.849 -26.073 1.00 16.04 C ATOM 176 C ASN A 52 11.409 -1.879 -27.208 1.00 15.62 C ATOM 177 O ASN A 52 11.701 -3.060 -27.041 1.00 15.08 O ATOM 178 CB ASN A 52 12.998 -1.164 -25.351 1.00 16.60 C ATOM 179 CG ASN A 52 14.226 -1.092 -26.261 1.00 18.19 C ATOM 180 OD1 ASN A 52 14.116 -1.169 -27.501 1.00 17.97 O ATOM 181 ND2 ASN A 52 15.434 -0.955 -25.631 1.00 20.04 N ATOM 182 HD22 ASN A 52 15.476 -0.895 -24.594 1.00 0.00 H ATOM 183 HD21 ASN A 52 16.310 -0.911 -26.190 1.00 0.00 H ATOM 184 H ASN A 52 9.808 -1.717 -25.339 1.00 0.00 H ATOM 185 N PRO A 53 10.947 -1.415 -28.366 1.00 14.70 N ATOM 186 CA PRO A 53 10.641 -2.397 -29.406 1.00 14.67 C ATOM 187 C PRO A 53 11.774 -3.294 -29.842 1.00 14.79 C ATOM 188 O PRO A 53 11.507 -4.459 -30.218 1.00 15.45 O ATOM 189 CB PRO A 53 10.160 -1.477 -30.578 1.00 15.48 C ATOM 190 CG PRO A 53 9.649 -0.264 -29.921 1.00 16.44 C ATOM 191 CD PRO A 53 10.545 -0.033 -28.755 1.00 15.21 C ATOM 192 N ASN A 54 13.038 -2.833 -29.824 1.00 14.00 N ATOM 193 CA ASN A 54 14.159 -3.623 -30.245 1.00 13.64 C ATOM 194 C ASN A 54 14.747 -4.513 -29.160 1.00 15.44 C ATOM 195 O ASN A 54 15.691 -5.276 -29.429 1.00 16.32 O ATOM 196 CB ASN A 54 15.201 -2.759 -30.859 1.00 14.72 C ATOM 197 CG ASN A 54 14.813 -2.290 -32.231 1.00 14.19 C ATOM 198 OD1 ASN A 54 14.317 -3.086 -33.020 1.00 17.14 O ATOM 199 ND2 ASN A 54 15.199 -1.082 -32.558 1.00 14.93 N ATOM 200 HD22 ASN A 54 15.613 -0.456 -31.838 1.00 0.00 H ATOM 201 HD21 ASN A 54 15.091 -0.749 -33.537 1.00 0.00 H ATOM 202 H ASN A 54 13.210 -1.863 -29.491 1.00 0.00 H ATOM 203 N LYS A 55 14.211 -4.448 -27.943 1.00 14.91 N ATOM 204 CA LYS A 55 14.648 -5.393 -26.905 1.00 15.32 C ATOM 205 C LYS A 55 14.017 -6.773 -27.102 1.00 15.30 C ATOM 206 O LYS A 55 12.804 -6.825 -27.325 1.00 13.79 O ATOM 207 CB LYS A 55 14.336 -4.844 -25.521 1.00 15.33 C ATOM 208 CG LYS A 55 14.920 -5.734 -24.434 1.00 15.26 C ATOM 209 CD LYS A 55 14.439 -5.356 -23.065 1.00 15.10 C ATOM 210 CE LYS A 55 14.929 -6.313 -21.960 1.00 14.15 C ATOM 211 NZ LYS A 55 14.438 -7.682 -22.177 1.00 15.04 N ATOM 212 HZ1 LYS A 55 13.398 -7.680 -22.175 1.00 0.00 H ATOM 213 HZ2 LYS A 55 14.783 -8.032 -23.093 1.00 0.00 H ATOM 214 HZ3 LYS A 55 14.786 -8.299 -21.416 1.00 0.00 H ATOM 215 H LYS A 55 13.487 -3.733 -27.728 1.00 0.00 H ATOM 216 N PRO A 56 14.821 -7.849 -26.967 1.00 14.33 N ATOM 217 CA PRO A 56 14.267 -9.203 -27.045 1.00 15.92 C ATOM 218 C PRO A 56 13.354 -9.455 -25.847 1.00 15.33 C ATOM 219 O PRO A 56 13.689 -9.032 -24.721 1.00 16.80 O ATOM 220 CB PRO A 56 15.491 -10.096 -26.977 1.00 17.17 C ATOM 221 CG PRO A 56 16.694 -9.262 -27.231 1.00 19.40 C ATOM 222 CD PRO A 56 16.293 -7.844 -26.915 1.00 16.71 C ATOM 223 N LYS A 57 12.197 -10.094 -26.121 1.00 14.51 N ATOM 224 CA LYS A 57 11.114 -10.353 -25.103 1.00 16.03 C ATOM 225 C LYS A 57 10.562 -11.719 -25.249 1.00 16.78 C ATOM 226 O LYS A 57 10.539 -12.257 -26.353 1.00 17.34 O ATOM 227 CB LYS A 57 9.875 -9.469 -25.357 1.00 20.95 C ATOM 228 CG LYS A 57 10.194 -8.060 -25.498 1.00 24.83 C ATOM 229 CD LYS A 57 9.001 -7.150 -25.698 1.00 21.18 C ATOM 230 CE LYS A 57 9.606 -5.794 -25.761 1.00 22.52 C ATOM 231 NZ LYS A 57 10.302 -5.501 -27.045 1.00 21.18 N ATOM 232 HZ1 LYS A 57 11.070 -6.188 -27.186 1.00 0.00 H ATOM 233 HZ2 LYS A 57 9.623 -5.572 -27.830 1.00 0.00 H ATOM 234 HZ3 LYS A 57 10.697 -4.539 -27.012 1.00 0.00 H ATOM 235 H LYS A 57 12.043 -10.428 -27.094 1.00 0.00 H ATOM 236 N ARG A 58 10.068 -12.312 -24.166 1.00 16.77 N ATOM 237 CA ARG A 58 9.387 -13.615 -24.207 1.00 18.46 C ATOM 238 C ARG A 58 8.355 -13.638 -23.142 1.00 24.10 C ATOM 239 O ARG A 58 8.502 -12.963 -22.125 1.00 24.73 O ATOM 240 CB ARG A 58 10.292 -14.758 -23.849 1.00 20.80 C ATOM 241 CG ARG A 58 11.319 -14.990 -24.883 1.00 23.15 C ATOM 242 CD ARG A 58 12.068 -16.266 -24.721 1.00 24.21 C ATOM 243 NE ARG A 58 12.685 -16.385 -23.444 1.00 26.75 N ATOM 244 CZ ARG A 58 13.495 -17.361 -23.067 1.00 30.39 C ATOM 245 NH1 ARG A 58 13.907 -18.317 -23.901 1.00 29.90 N ATOM 246 NH2 ARG A 58 13.970 -17.331 -21.827 1.00 29.42 N ATOM 247 HE ARG A 58 12.482 -15.640 -22.747 1.00 0.00 H ATOM 248 HH12 ARG A 58 14.544 -19.065 -23.560 1.00 0.00 H ATOM 249 HH11 ARG A 58 13.591 -18.314 -24.892 1.00 0.00 H ATOM 250 HH22 ARG A 58 14.609 -18.082 -21.497 1.00 0.00 H ATOM 251 HH21 ARG A 58 13.703 -16.557 -21.186 1.00 0.00 H ATOM 252 H ARG A 58 10.168 -11.833 -23.248 1.00 0.00 H ATOM 253 N GLN A 59 7.340 -14.446 -23.360 1.00 22.82 N ATOM 254 CA GLN A 59 6.454 -14.801 -22.265 1.00 25.05 C ATOM 255 C GLN A 59 6.859 -16.180 -21.750 1.00 27.15 C ATOM 256 O GLN A 59 7.135 -17.106 -22.531 1.00 28.08 O ATOM 257 CB GLN A 59 5.039 -14.741 -22.774 1.00 31.26 C ATOM 258 CG GLN A 59 4.600 -13.326 -23.108 1.00 34.43 C ATOM 259 CD GLN A 59 3.148 -13.235 -23.606 1.00 44.33 C ATOM 260 OE1 GLN A 59 2.214 -13.653 -22.919 1.00 47.91 O ATOM 261 NE2 GLN A 59 2.956 -12.652 -24.799 1.00 50.68 N ATOM 262 HE22 GLN A 59 3.771 -12.312 -25.349 1.00 0.00 H ATOM 263 HE21 GLN A 59 1.992 -12.540 -25.174 1.00 0.00 H ATOM 264 H GLN A 59 7.173 -14.829 -24.312 1.00 0.00 H ATOM 265 N THR A 60 7.037 -16.336 -20.451 1.00 21.87 N ATOM 266 CA THR A 60 7.421 -17.613 -19.840 1.00 21.11 C ATOM 267 C THR A 60 6.553 -17.833 -18.614 1.00 23.71 C ATOM 268 O THR A 60 5.966 -16.877 -18.092 1.00 23.59 O ATOM 269 CB THR A 60 8.873 -17.691 -19.400 1.00 22.92 C ATOM 270 OG1 THR A 60 9.061 -16.868 -18.226 1.00 21.16 O ATOM 271 CG2 THR A 60 9.854 -17.232 -20.477 1.00 21.26 C ATOM 272 HG1 THR A 60 10.007 -16.918 -17.938 1.00 0.00 H ATOM 273 H THR A 60 6.898 -15.513 -19.831 1.00 0.00 H ATOM 274 N ASN A 61 6.553 -19.087 -18.168 1.00 24.27 N ATOM 275 CA ASN A 61 5.769 -19.490 -17.023 1.00 23.67 C ATOM 276 C ASN A 61 6.182 -18.649 -15.837 1.00 22.10 C ATOM 277 O ASN A 61 5.280 -18.063 -15.147 1.00 22.61 O ATOM 278 CB ASN A 61 5.932 -20.989 -16.755 1.00 23.11 C ATOM 279 CG ASN A 61 4.961 -21.829 -17.561 1.00 25.92 C ATOM 280 OD1 ASN A 61 3.951 -21.333 -18.056 1.00 29.92 O ATOM 281 ND2 ASN A 61 5.258 -23.119 -17.674 1.00 26.99 N ATOM 282 HD22 ASN A 61 6.125 -23.493 -17.238 1.00 0.00 H ATOM 283 HD21 ASN A 61 4.624 -23.755 -18.199 1.00 0.00 H ATOM 284 H ASN A 61 7.134 -19.797 -18.658 1.00 0.00 H ATOM 285 N GLN A 62 7.513 -18.528 -15.692 1.00 22.31 N ATOM 286 CA GLN A 62 8.193 -17.858 -14.562 1.00 20.44 C ATOM 287 C GLN A 62 7.831 -16.354 -14.562 1.00 20.64 C ATOM 288 O GLN A 62 7.477 -15.789 -13.513 1.00 19.73 O ATOM 289 CB GLN A 62 9.697 -18.104 -14.506 1.00 23.28 C ATOM 290 CG GLN A 62 10.104 -19.572 -14.295 1.00 24.71 C ATOM 291 CD GLN A 62 11.604 -19.777 -14.217 1.00 24.86 C ATOM 292 OE1 GLN A 62 12.403 -19.011 -14.807 1.00 24.77 O ATOM 293 NE2 GLN A 62 12.024 -20.789 -13.458 1.00 23.09 N ATOM 294 HE22 GLN A 62 11.333 -21.405 -12.983 1.00 0.00 H ATOM 295 HE21 GLN A 62 13.043 -20.963 -13.341 1.00 0.00 H ATOM 296 H GLN A 62 8.114 -18.939 -16.435 1.00 0.00 H ATOM 297 N LEU A 63 7.823 -15.716 -15.738 1.00 18.24 N ATOM 298 CA LEU A 63 7.465 -14.318 -15.807 1.00 17.03 C ATOM 299 C LEU A 63 5.973 -14.063 -15.517 1.00 18.65 C ATOM 300 O LEU A 63 5.628 -13.085 -14.833 1.00 18.14 O ATOM 301 CB LEU A 63 7.886 -13.725 -17.177 1.00 16.45 C ATOM 302 CG LEU A 63 9.364 -13.474 -17.320 1.00 15.68 C ATOM 303 CD1 LEU A 63 9.666 -13.302 -18.818 1.00 16.53 C ATOM 304 CD2 LEU A 63 9.730 -12.210 -16.537 1.00 15.10 C ATOM 305 H LEU A 63 8.076 -16.229 -16.607 1.00 0.00 H ATOM 306 N GLN A 64 5.076 -14.947 -15.953 1.00 20.09 N ATOM 307 CA GLN A 64 3.654 -14.867 -15.580 1.00 21.87 C ATOM 308 C GLN A 64 3.495 -14.965 -14.060 1.00 18.70 C ATOM 309 O GLN A 64 2.708 -14.195 -13.528 1.00 18.96 O ATOM 310 CB GLN A 64 2.876 -16.028 -16.240 1.00 25.21 C ATOM 311 CG GLN A 64 2.690 -15.772 -17.713 1.00 32.75 C ATOM 312 CD GLN A 64 1.990 -16.919 -18.415 1.00 40.77 C ATOM 313 OE1 GLN A 64 2.272 -18.106 -18.168 1.00 48.21 O ATOM 314 NE2 GLN A 64 1.091 -16.572 -19.310 1.00 47.59 N ATOM 315 HE22 GLN A 64 0.889 -15.566 -19.482 1.00 0.00 H ATOM 316 HE21 GLN A 64 0.582 -17.303 -19.846 1.00 0.00 H ATOM 317 H GLN A 64 5.390 -15.718 -16.576 1.00 0.00 H ATOM 318 N TYR A 65 4.242 -15.856 -13.421 1.00 19.78 N ATOM 319 CA TYR A 65 4.214 -15.992 -11.952 1.00 20.71 C ATOM 320 C TYR A 65 4.741 -14.726 -11.291 1.00 21.71 C ATOM 321 O TYR A 65 4.155 -14.236 -10.318 1.00 19.07 O ATOM 322 CB TYR A 65 4.986 -17.187 -11.508 1.00 21.24 C ATOM 323 CG TYR A 65 5.132 -17.405 -10.000 1.00 20.98 C ATOM 324 CD1 TYR A 65 6.237 -16.940 -9.320 1.00 22.73 C ATOM 325 CD2 TYR A 65 4.195 -18.205 -9.298 1.00 22.90 C ATOM 326 CE1 TYR A 65 6.422 -17.183 -7.970 1.00 23.31 C ATOM 327 CE2 TYR A 65 4.355 -18.451 -7.926 1.00 23.65 C ATOM 328 CZ TYR A 65 5.480 -17.956 -7.264 1.00 25.66 C ATOM 329 OH TYR A 65 5.723 -18.188 -5.905 1.00 25.93 O ATOM 330 HH TYR A 65 6.571 -17.749 -5.643 1.00 0.00 H ATOM 331 H TYR A 65 4.867 -16.478 -13.973 1.00 0.00 H ATOM 332 N LEU A 66 5.832 -14.183 -11.828 1.00 16.44 N ATOM 333 CA LEU A 66 6.402 -12.927 -11.314 1.00 15.95 C ATOM 334 C LEU A 66 5.369 -11.813 -11.301 1.00 16.69 C ATOM 335 O LEU A 66 5.388 -10.976 -10.366 1.00 16.62 O ATOM 336 CB LEU A 66 7.710 -12.582 -12.061 1.00 15.66 C ATOM 337 CG LEU A 66 8.961 -13.356 -11.572 1.00 17.52 C ATOM 338 CD1 LEU A 66 10.093 -13.404 -12.625 1.00 18.05 C ATOM 339 CD2 LEU A 66 9.483 -12.805 -10.248 1.00 19.30 C ATOM 340 H LEU A 66 6.293 -14.658 -12.630 1.00 0.00 H ATOM 341 N LEU A 67 4.482 -11.718 -12.275 1.00 15.91 N ATOM 342 CA LEU A 67 3.454 -10.714 -12.290 1.00 18.15 C ATOM 343 C LEU A 67 2.293 -11.073 -11.353 1.00 19.81 C ATOM 344 O LEU A 67 1.900 -10.251 -10.508 1.00 19.46 O ATOM 345 CB LEU A 67 2.909 -10.458 -13.722 1.00 18.57 C ATOM 346 CG LEU A 67 1.812 -9.408 -13.850 1.00 19.13 C ATOM 347 CD1 LEU A 67 2.126 -8.050 -13.199 1.00 19.85 C ATOM 348 CD2 LEU A 67 1.433 -9.115 -15.275 1.00 20.90 C ATOM 349 H LEU A 67 4.529 -12.396 -13.062 1.00 0.00 H ATOM 350 N ARG A 68 1.722 -12.254 -11.567 1.00 21.88 N ATOM 351 CA ARG A 68 0.438 -12.646 -10.963 1.00 24.24 C ATOM 352 C ARG A 68 0.616 -12.905 -9.480 1.00 23.12 C ATOM 353 O ARG A 68 -0.280 -12.484 -8.713 1.00 25.59 O ATOM 354 CB ARG A 68 -0.159 -13.846 -11.716 1.00 26.37 C ATOM 355 CG ARG A 68 -1.505 -14.342 -11.214 1.00 29.01 C ATOM 356 CD ARG A 68 -1.789 -15.762 -11.767 1.00 27.41 C ATOM 357 NE ARG A 68 -1.005 -16.805 -11.075 1.00 30.33 N ATOM 358 CZ ARG A 68 0.014 -17.514 -11.587 1.00 32.74 C ATOM 359 NH1 ARG A 68 0.458 -17.335 -12.841 1.00 36.52 N ATOM 360 NH2 ARG A 68 0.635 -18.402 -10.834 1.00 32.77 N ATOM 361 HE ARG A 68 -1.269 -17.011 -10.091 1.00 0.00 H ATOM 362 HH12 ARG A 68 1.251 -17.906 -13.198 1.00 0.00 H ATOM 363 HH11 ARG A 68 0.009 -16.626 -13.455 1.00 0.00 H ATOM 364 HH22 ARG A 68 1.425 -18.954 -11.225 1.00 0.00 H ATOM 365 HH21 ARG A 68 0.335 -18.550 -9.849 1.00 0.00 H ATOM 366 H ARG A 68 2.205 -12.933 -12.190 1.00 0.00 H ATOM 367 N VAL A 69 1.760 -13.448 -9.053 1.00 21.33 N ATOM 368 CA VAL A 69 2.014 -13.713 -7.652 1.00 21.93 C ATOM 369 C VAL A 69 3.041 -12.791 -6.979 1.00 23.02 C ATOM 370 O VAL A 69 2.792 -12.269 -5.869 1.00 21.87 O ATOM 371 CB VAL A 69 2.462 -15.170 -7.495 1.00 22.71 C ATOM 372 CG1 VAL A 69 2.795 -15.507 -6.053 1.00 26.22 C ATOM 373 CG2 VAL A 69 1.352 -16.085 -8.035 1.00 24.03 C ATOM 374 H VAL A 69 2.493 -13.688 -9.751 1.00 0.00 H ATOM 375 N VAL A 70 4.228 -12.606 -7.548 1.00 19.47 N ATOM 376 CA VAL A 70 5.268 -11.888 -6.835 1.00 19.23 C ATOM 377 C VAL A 70 4.948 -10.388 -6.770 1.00 19.31 C ATOM 378 O VAL A 70 4.774 -9.785 -5.665 1.00 19.15 O ATOM 379 CB VAL A 70 6.662 -12.161 -7.410 1.00 18.75 C ATOM 380 CG1 VAL A 70 7.749 -11.391 -6.660 1.00 19.38 C ATOM 381 CG2 VAL A 70 6.975 -13.652 -7.388 1.00 20.75 C ATOM 382 H VAL A 70 4.411 -12.975 -8.503 1.00 0.00 H ATOM 383 N LEU A 71 4.841 -9.755 -7.925 1.00 18.37 N ATOM 384 CA LEU A 71 4.623 -8.347 -7.975 1.00 18.39 C ATOM 385 C LEU A 71 3.270 -8.049 -7.289 1.00 21.44 C ATOM 386 O LEU A 71 3.230 -7.147 -6.448 1.00 20.82 O ATOM 387 CB LEU A 71 4.642 -7.828 -9.426 1.00 18.82 C ATOM 388 CG LEU A 71 4.366 -6.335 -9.715 1.00 21.00 C ATOM 389 CD1 LEU A 71 2.936 -5.880 -9.515 1.00 22.72 C ATOM 390 CD2 LEU A 71 5.368 -5.479 -8.921 1.00 20.89 C ATOM 391 H LEU A 71 4.917 -10.293 -8.812 1.00 0.00 H ATOM 392 N LYS A 72 2.176 -8.742 -7.641 1.00 21.31 N ATOM 393 CA LYS A 72 0.853 -8.377 -7.102 1.00 24.10 C ATOM 394 C LYS A 72 0.714 -8.593 -5.627 1.00 24.31 C ATOM 395 O LYS A 72 -0.012 -7.817 -4.988 1.00 29.06 O ATOM 396 CB LYS A 72 -0.272 -9.009 -7.891 1.00 26.55 C ATOM 397 CG LYS A 72 -0.408 -8.244 -9.187 1.00 30.49 C ATOM 398 CD LYS A 72 -1.435 -8.784 -10.138 1.00 35.78 C ATOM 399 CE LYS A 72 -1.496 -7.863 -11.341 1.00 43.26 C ATOM 400 NZ LYS A 72 -2.656 -8.242 -12.177 1.00 46.62 N ATOM 401 HZ1 LYS A 72 -2.547 -9.227 -12.493 1.00 0.00 H ATOM 402 HZ2 LYS A 72 -3.529 -8.150 -11.619 1.00 0.00 H ATOM 403 HZ3 LYS A 72 -2.705 -7.614 -13.005 1.00 0.00 H ATOM 404 H LYS A 72 2.262 -9.543 -8.299 1.00 0.00 H ATOM 405 N THR A 73 1.512 -9.451 -5.029 1.00 22.65 N ATOM 406 CA THR A 73 1.445 -9.567 -3.565 1.00 26.01 C ATOM 407 C THR A 73 2.238 -8.475 -2.881 1.00 25.44 C ATOM 408 O THR A 73 1.807 -7.979 -1.823 1.00 25.21 O ATOM 409 CB THR A 73 1.835 -10.939 -3.025 1.00 30.60 C ATOM 410 OG1 THR A 73 3.238 -11.167 -3.121 1.00 40.27 O ATOM 411 CG2 THR A 73 1.079 -12.008 -3.745 1.00 25.58 C ATOM 412 HG1 THR A 73 3.515 -11.116 -4.070 1.00 0.00 H ATOM 413 H THR A 73 2.175 -10.034 -5.579 1.00 0.00 H ATOM 414 N LEU A 74 3.423 -8.155 -3.392 1.00 19.79 N ATOM 415 CA LEU A 74 4.191 -7.040 -2.846 1.00 20.48 C ATOM 416 C LEU A 74 3.452 -5.729 -3.026 1.00 19.83 C ATOM 417 O LEU A 74 3.508 -4.884 -2.140 1.00 17.95 O ATOM 418 CB LEU A 74 5.598 -6.931 -3.475 1.00 21.36 C ATOM 419 CG LEU A 74 6.537 -8.108 -3.198 1.00 27.68 C ATOM 420 CD1 LEU A 74 7.849 -7.830 -3.912 1.00 28.95 C ATOM 421 CD2 LEU A 74 6.814 -8.308 -1.744 1.00 29.77 C ATOM 422 H LEU A 74 3.806 -8.704 -4.188 1.00 0.00 H ATOM 423 N TRP A 75 2.796 -5.517 -4.152 1.00 18.30 N ATOM 424 CA TRP A 75 2.143 -4.253 -4.511 1.00 19.40 C ATOM 425 C TRP A 75 1.012 -3.860 -3.548 1.00 20.69 C ATOM 426 O TRP A 75 0.880 -2.681 -3.219 1.00 22.90 O ATOM 427 CB TRP A 75 1.608 -4.330 -5.950 1.00 20.18 C ATOM 428 CG TRP A 75 1.077 -3.099 -6.496 1.00 20.76 C ATOM 429 CD1 TRP A 75 -0.222 -2.690 -6.487 1.00 21.66 C ATOM 430 CD2 TRP A 75 1.801 -2.098 -7.205 1.00 17.39 C ATOM 431 NE1 TRP A 75 -0.340 -1.479 -7.065 1.00 22.68 N ATOM 432 CE2 TRP A 75 0.893 -1.077 -7.527 1.00 19.88 C ATOM 433 CE3 TRP A 75 3.130 -1.931 -7.541 1.00 17.18 C ATOM 434 CZ2 TRP A 75 1.265 0.061 -8.218 1.00 19.17 C ATOM 435 CZ3 TRP A 75 3.490 -0.789 -8.215 1.00 15.07 C ATOM 436 CH2 TRP A 75 2.577 0.196 -8.528 1.00 16.57 C ATOM 437 HE1 TRP A 75 -1.222 -0.934 -7.149 1.00 0.00 H ATOM 438 H TRP A 75 2.738 -6.301 -4.833 1.00 0.00 H ATOM 439 N LYS A 76 0.286 -4.865 -3.106 1.00 21.93 N ATOM 440 CA LYS A 76 -0.841 -4.699 -2.188 1.00 21.93 C ATOM 441 C LYS A 76 -0.383 -4.538 -0.727 1.00 21.22 C ATOM 442 O LYS A 76 -1.216 -4.286 0.147 1.00 21.62 O ATOM 443 CB LYS A 76 -1.778 -5.908 -2.276 1.00 28.03 C ATOM 444 CG LYS A 76 -2.458 -6.136 -3.612 1.00 33.58 C ATOM 445 CD LYS A 76 -3.119 -7.536 -3.618 1.00 39.70 C ATOM 446 CE LYS A 76 -3.470 -8.031 -5.008 1.00 43.23 C ATOM 447 NZ LYS A 76 -4.470 -7.141 -5.650 1.00 50.54 N ATOM 448 HZ1 LYS A 76 -5.335 -7.121 -5.073 1.00 0.00 H ATOM 449 HZ2 LYS A 76 -4.079 -6.180 -5.725 1.00 0.00 H ATOM 450 HZ3 LYS A 76 -4.694 -7.501 -6.600 1.00 0.00 H ATOM 451 H LYS A 76 0.526 -5.825 -3.425 1.00 0.00 H ATOM 452 N HIS A 77 0.895 -4.728 -0.420 1.00 15.97 N ATOM 453 CA HIS A 77 1.383 -4.715 0.973 1.00 15.70 C ATOM 454 C HIS A 77 1.444 -3.278 1.502 1.00 15.39 C ATOM 455 O HIS A 77 1.709 -2.331 0.748 1.00 16.00 O ATOM 456 CB HIS A 77 2.762 -5.294 1.026 1.00 14.60 C ATOM 457 CG HIS A 77 3.241 -5.646 2.387 1.00 14.47 C ATOM 458 ND1 HIS A 77 3.752 -4.727 3.290 1.00 15.04 N ATOM 459 CD2 HIS A 77 3.268 -6.827 3.029 1.00 15.19 C ATOM 460 CE1 HIS A 77 4.086 -5.334 4.409 1.00 15.57 C ATOM 461 NE2 HIS A 77 3.798 -6.620 4.273 1.00 16.42 N ATOM 462 H HIS A 77 1.576 -4.892 -1.188 1.00 0.00 H ATOM 463 N GLN A 78 1.052 -3.092 2.770 1.00 15.58 N ATOM 464 CA GLN A 78 1.074 -1.757 3.362 1.00 15.02 C ATOM 465 C GLN A 78 2.452 -1.068 3.422 1.00 14.75 C ATOM 466 O GLN A 78 2.509 0.142 3.696 1.00 14.55 O ATOM 467 CB GLN A 78 0.480 -1.798 4.794 1.00 16.74 C ATOM 468 CG GLN A 78 1.355 -2.581 5.738 1.00 17.01 C ATOM 469 CD GLN A 78 1.065 -2.358 7.210 1.00 20.61 C ATOM 470 OE1 GLN A 78 0.441 -1.351 7.598 1.00 23.02 O ATOM 471 NE2 GLN A 78 1.495 -3.266 8.027 1.00 17.42 N ATOM 472 HE22 GLN A 78 2.012 -4.091 7.662 1.00 0.00 H ATOM 473 HE21 GLN A 78 1.324 -3.170 9.048 1.00 0.00 H ATOM 474 H GLN A 78 0.730 -3.903 3.336 1.00 0.00 H ATOM 475 N PHE A 79 3.530 -1.777 3.086 1.00 13.01 N ATOM 476 CA PHE A 79 4.862 -1.203 3.028 1.00 14.43 C ATOM 477 C PHE A 79 5.256 -0.896 1.598 1.00 14.84 C ATOM 478 O PHE A 79 6.380 -0.418 1.389 1.00 14.55 O ATOM 479 CB PHE A 79 5.930 -2.056 3.698 1.00 14.98 C ATOM 480 CG PHE A 79 5.797 -2.223 5.194 1.00 13.99 C ATOM 481 CD1 PHE A 79 5.040 -1.408 5.992 1.00 14.97 C ATOM 482 CD2 PHE A 79 6.564 -3.209 5.797 1.00 16.09 C ATOM 483 CE1 PHE A 79 4.960 -1.633 7.373 1.00 16.67 C ATOM 484 CE2 PHE A 79 6.538 -3.425 7.129 1.00 16.29 C ATOM 485 CZ PHE A 79 5.705 -2.676 7.929 1.00 15.82 C ATOM 486 H PHE A 79 3.411 -2.784 2.856 1.00 0.00 H ATOM 487 N ALA A 80 4.388 -1.098 0.633 1.00 15.85 N ATOM 488 CA ALA A 80 4.784 -0.952 -0.779 1.00 14.54 C ATOM 489 C ALA A 80 4.938 0.464 -1.227 1.00 15.03 C ATOM 490 O ALA A 80 5.699 0.749 -2.171 1.00 14.66 O ATOM 491 CB ALA A 80 3.759 -1.644 -1.665 1.00 15.16 C ATOM 492 H ALA A 80 3.410 -1.364 0.868 1.00 0.00 H ATOM 493 N TRP A 81 4.206 1.406 -0.622 1.00 13.55 N ATOM 494 CA TRP A 81 4.040 2.712 -1.211 1.00 13.60 C ATOM 495 C TRP A 81 5.309 3.513 -1.564 1.00 12.27 C ATOM 496 O TRP A 81 5.289 4.217 -2.561 1.00 13.20 O ATOM 497 CB TRP A 81 3.027 3.563 -0.369 1.00 13.81 C ATOM 498 CG TRP A 81 3.392 3.738 1.063 1.00 15.01 C ATOM 499 CD1 TRP A 81 3.034 2.947 2.126 1.00 14.28 C ATOM 500 CD2 TRP A 81 4.216 4.779 1.630 1.00 12.39 C ATOM 501 NE1 TRP A 81 3.600 3.414 3.313 1.00 13.80 N ATOM 502 CE2 TRP A 81 4.305 4.541 3.017 1.00 13.29 C ATOM 503 CE3 TRP A 81 4.886 5.915 1.113 1.00 13.38 C ATOM 504 CZ2 TRP A 81 5.042 5.381 3.879 1.00 13.67 C ATOM 505 CZ3 TRP A 81 5.575 6.714 2.007 1.00 13.51 C ATOM 506 CH2 TRP A 81 5.643 6.436 3.343 1.00 13.01 C ATOM 507 HE1 TRP A 81 3.501 2.980 4.253 1.00 0.00 H ATOM 508 H TRP A 81 3.749 1.193 0.288 1.00 0.00 H ATOM 509 N PRO A 82 6.417 3.440 -0.771 1.00 11.81 N ATOM 510 CA PRO A 82 7.612 4.184 -1.169 1.00 11.92 C ATOM 511 C PRO A 82 8.210 3.616 -2.456 1.00 12.19 C ATOM 512 O PRO A 82 9.047 4.288 -3.069 1.00 13.11 O ATOM 513 CB PRO A 82 8.587 3.967 -0.010 1.00 12.86 C ATOM 514 CG PRO A 82 7.722 3.614 1.185 1.00 12.45 C ATOM 515 CD PRO A 82 6.633 2.779 0.515 1.00 12.07 C ATOM 516 N PHE A 83 7.831 2.393 -2.778 1.00 12.06 N ATOM 517 CA PHE A 83 8.453 1.623 -3.869 1.00 12.50 C ATOM 518 C PHE A 83 7.540 1.504 -5.071 1.00 13.86 C ATOM 519 O PHE A 83 7.929 0.791 -6.055 1.00 13.83 O ATOM 520 CB PHE A 83 8.872 0.243 -3.312 1.00 13.80 C ATOM 521 CG PHE A 83 9.708 0.325 -2.110 1.00 14.25 C ATOM 522 CD1 PHE A 83 11.051 0.698 -2.157 1.00 14.58 C ATOM 523 CD2 PHE A 83 9.152 0.126 -0.877 1.00 12.97 C ATOM 524 CE1 PHE A 83 11.800 0.783 -1.032 1.00 14.39 C ATOM 525 CE2 PHE A 83 9.883 0.230 0.285 1.00 14.17 C ATOM 526 CZ PHE A 83 11.235 0.556 0.230 1.00 13.85 C ATOM 527 H PHE A 83 7.059 1.954 -2.237 1.00 0.00 H ATOM 528 N GLN A 84 6.370 2.125 -5.088 1.00 14.02 N ATOM 529 CA GLN A 84 5.394 1.972 -6.173 1.00 14.63 C ATOM 530 C GLN A 84 5.589 2.870 -7.397 1.00 14.90 C ATOM 531 O GLN A 84 4.807 2.810 -8.328 1.00 14.95 O ATOM 532 CB GLN A 84 3.958 2.155 -5.654 1.00 15.15 C ATOM 533 CG GLN A 84 3.538 0.973 -4.841 1.00 15.79 C ATOM 534 CD GLN A 84 2.181 1.192 -4.215 1.00 18.39 C ATOM 535 OE1 GLN A 84 1.876 2.296 -3.819 1.00 18.66 O ATOM 536 NE2 GLN A 84 1.376 0.148 -4.133 1.00 19.42 N ATOM 537 HE22 GLN A 84 1.688 -0.778 -4.489 1.00 0.00 H ATOM 538 HE21 GLN A 84 0.430 0.252 -3.713 1.00 0.00 H ATOM 539 H GLN A 84 6.131 2.752 -4.293 1.00 0.00 H ATOM 540 N GLN A 85 6.615 3.702 -7.356 1.00 13.53 N ATOM 541 CA GLN A 85 6.850 4.659 -8.440 1.00 14.44 C ATOM 542 C GLN A 85 8.293 5.060 -8.401 1.00 13.29 C ATOM 543 O GLN A 85 8.972 4.922 -7.372 1.00 13.86 O ATOM 544 CB GLN A 85 5.960 5.870 -8.295 1.00 14.64 C ATOM 545 CG GLN A 85 6.186 6.692 -7.021 1.00 16.34 C ATOM 546 CD GLN A 85 5.585 6.026 -5.785 1.00 14.81 C ATOM 547 OE1 GLN A 85 4.399 5.588 -5.843 1.00 18.59 O ATOM 548 NE2 GLN A 85 6.351 5.962 -4.687 1.00 16.94 N ATOM 549 HE22 GLN A 85 7.319 6.341 -4.706 1.00 0.00 H ATOM 550 HE21 GLN A 85 5.977 5.533 -3.816 1.00 0.00 H ATOM 551 H GLN A 85 7.264 3.677 -6.544 1.00 0.00 H ATOM 552 N PRO A 86 8.815 5.565 -9.530 1.00 13.46 N ATOM 553 CA PRO A 86 10.177 6.140 -9.500 1.00 13.88 C ATOM 554 C PRO A 86 10.312 7.153 -8.378 1.00 15.46 C ATOM 555 O PRO A 86 9.392 7.932 -8.130 1.00 16.16 O ATOM 556 CB PRO A 86 10.343 6.759 -10.893 1.00 15.12 C ATOM 557 CG PRO A 86 9.405 5.952 -11.787 1.00 14.53 C ATOM 558 CD PRO A 86 8.242 5.554 -10.882 1.00 15.10 C ATOM 559 N VAL A 87 11.449 7.169 -7.702 1.00 13.18 N ATOM 560 CA VAL A 87 11.625 8.048 -6.558 1.00 13.11 C ATOM 561 C VAL A 87 11.486 9.499 -7.003 1.00 14.01 C ATOM 562 O VAL A 87 12.165 9.988 -7.922 1.00 14.48 O ATOM 563 CB VAL A 87 12.984 7.802 -5.896 1.00 12.70 C ATOM 564 CG1 VAL A 87 13.288 8.903 -4.848 1.00 13.33 C ATOM 565 CG2 VAL A 87 12.983 6.426 -5.264 1.00 13.47 C ATOM 566 H VAL A 87 12.228 6.544 -7.993 1.00 0.00 H ATOM 567 N ASP A 88 10.539 10.198 -6.394 1.00 15.40 N ATOM 568 CA ASP A 88 10.332 11.627 -6.640 1.00 17.17 C ATOM 569 C ASP A 88 11.162 12.385 -5.630 1.00 17.61 C ATOM 570 O ASP A 88 10.697 12.814 -4.552 1.00 18.34 O ATOM 571 CB ASP A 88 8.837 11.950 -6.599 1.00 19.22 C ATOM 572 CG ASP A 88 8.545 13.403 -7.021 1.00 22.47 C ATOM 573 OD1 ASP A 88 9.455 14.252 -6.986 1.00 20.73 O ATOM 574 OD2 ASP A 88 7.371 13.685 -7.341 1.00 27.48 O ATOM 575 H ASP A 88 9.919 9.713 -5.715 1.00 0.00 H ATOM 576 N ALA A 89 12.422 12.569 -5.972 1.00 16.17 N ATOM 577 CA ALA A 89 13.371 13.249 -5.084 1.00 17.14 C ATOM 578 C ALA A 89 13.052 14.711 -4.817 1.00 17.51 C ATOM 579 O ALA A 89 13.406 15.223 -3.750 1.00 19.03 O ATOM 580 CB ALA A 89 14.815 13.131 -5.602 1.00 18.26 C ATOM 581 H ALA A 89 12.752 12.223 -6.896 1.00 0.00 H ATOM 582 N VAL A 90 12.412 15.343 -5.796 1.00 18.05 N ATOM 583 CA VAL A 90 11.917 16.739 -5.665 1.00 20.25 C ATOM 584 C VAL A 90 10.805 16.805 -4.603 1.00 21.47 C ATOM 585 O VAL A 90 10.967 17.487 -3.585 1.00 24.08 O ATOM 586 CB VAL A 90 11.454 17.305 -6.984 1.00 22.31 C ATOM 587 CG1 VAL A 90 10.815 18.692 -6.789 1.00 23.02 C ATOM 588 CG2 VAL A 90 12.631 17.395 -7.967 1.00 21.67 C ATOM 589 H VAL A 90 12.251 14.840 -6.692 1.00 0.00 H ATOM 590 N LYS A 91 9.720 16.069 -4.784 1.00 21.49 N ATOM 591 CA LYS A 91 8.664 16.034 -3.743 1.00 22.03 C ATOM 592 C LYS A 91 9.131 15.641 -2.379 1.00 21.30 C ATOM 593 O LYS A 91 8.740 16.194 -1.330 1.00 22.85 O ATOM 594 CB LYS A 91 7.588 15.036 -4.160 1.00 23.53 C ATOM 595 CG LYS A 91 6.519 14.860 -3.089 1.00 25.03 C ATOM 596 CD LYS A 91 5.511 13.844 -3.523 1.00 25.87 C ATOM 597 CE LYS A 91 4.557 13.571 -2.378 1.00 24.73 C ATOM 598 NZ LYS A 91 3.491 12.640 -2.811 1.00 25.27 N ATOM 599 HZ1 LYS A 91 2.963 13.063 -3.601 1.00 0.00 H ATOM 600 HZ2 LYS A 91 3.919 11.744 -3.119 1.00 0.00 H ATOM 601 HZ3 LYS A 91 2.844 12.462 -2.016 1.00 0.00 H ATOM 602 H LYS A 91 9.608 15.515 -5.657 1.00 0.00 H ATOM 603 N LEU A 92 9.933 14.597 -2.309 1.00 20.13 N ATOM 604 CA LEU A 92 10.349 14.060 -1.038 1.00 18.89 C ATOM 605 C LEU A 92 11.474 14.826 -0.359 1.00 18.70 C ATOM 606 O LEU A 92 11.964 14.434 0.690 1.00 20.29 O ATOM 607 CB LEU A 92 10.732 12.575 -1.156 1.00 18.37 C ATOM 608 CG LEU A 92 9.605 11.745 -1.734 1.00 20.39 C ATOM 609 CD1 LEU A 92 10.072 10.327 -2.052 1.00 19.33 C ATOM 610 CD2 LEU A 92 8.367 11.702 -0.868 1.00 19.50 C ATOM 611 H LEU A 92 10.271 14.153 -3.187 1.00 0.00 H ATOM 612 N ASN A 93 11.979 15.841 -1.074 1.00 19.78 N ATOM 613 CA ASN A 93 13.067 16.621 -0.525 1.00 20.97 C ATOM 614 C ASN A 93 14.247 15.766 -0.224 1.00 20.00 C ATOM 615 O ASN A 93 14.802 15.798 0.829 1.00 19.19 O ATOM 616 CB ASN A 93 12.553 17.317 0.764 1.00 25.84 C ATOM 617 CG ASN A 93 13.211 18.587 1.025 1.00 30.92 C ATOM 618 OD1 ASN A 93 13.935 19.129 0.197 1.00 33.19 O ATOM 619 ND2 ASN A 93 12.918 19.125 2.197 1.00 35.38 N ATOM 620 HD22 ASN A 93 12.298 18.619 2.861 1.00 0.00 H ATOM 621 HD21 ASN A 93 13.308 20.054 2.455 1.00 0.00 H ATOM 622 H ASN A 93 11.593 16.066 -2.013 1.00 0.00 H ATOM 623 N LEU A 94 14.605 14.891 -1.201 1.00 17.68 N ATOM 624 CA LEU A 94 15.790 14.036 -1.103 1.00 17.83 C ATOM 625 C LEU A 94 16.775 14.440 -2.228 1.00 17.65 C ATOM 626 O LEU A 94 16.981 13.705 -3.228 1.00 16.73 O ATOM 627 CB LEU A 94 15.423 12.571 -1.311 1.00 17.97 C ATOM 628 CG LEU A 94 14.338 12.046 -0.321 1.00 18.36 C ATOM 629 CD1 LEU A 94 14.080 10.614 -0.689 1.00 18.44 C ATOM 630 CD2 LEU A 94 14.838 12.118 1.110 1.00 18.99 C ATOM 631 H LEU A 94 14.013 14.826 -2.053 1.00 0.00 H ATOM 632 N PRO A 95 17.400 15.623 -2.107 1.00 16.40 N ATOM 633 CA PRO A 95 18.173 16.122 -3.271 1.00 15.57 C ATOM 634 C PRO A 95 19.416 15.353 -3.562 1.00 15.40 C ATOM 635 O PRO A 95 19.953 15.477 -4.687 1.00 16.08 O ATOM 636 CB PRO A 95 18.528 17.581 -2.850 1.00 16.33 C ATOM 637 CG PRO A 95 18.427 17.575 -1.360 1.00 16.91 C ATOM 638 CD PRO A 95 17.183 16.732 -1.129 1.00 16.95 C ATOM 639 N ASP A 96 19.894 14.545 -2.615 1.00 14.27 N ATOM 640 CA ASP A 96 21.022 13.671 -2.817 1.00 15.28 C ATOM 641 C ASP A 96 20.691 12.333 -3.456 1.00 14.45 C ATOM 642 O ASP A 96 21.604 11.560 -3.737 1.00 15.72 O ATOM 643 CB ASP A 96 21.824 13.430 -1.517 1.00 15.79 C ATOM 644 CG ASP A 96 20.990 12.878 -0.383 1.00 15.64 C ATOM 645 OD1 ASP A 96 19.767 12.767 -0.549 1.00 17.61 O ATOM 646 OD2 ASP A 96 21.521 12.627 0.701 1.00 19.28 O ATOM 647 H ASP A 96 19.430 14.546 -1.684 1.00 0.00 H ATOM 648 N TYR A 97 19.386 12.040 -3.665 1.00 14.12 N ATOM 649 CA TYR A 97 19.050 10.641 -3.967 1.00 13.37 C ATOM 650 C TYR A 97 19.696 10.143 -5.292 1.00 12.91 C ATOM 651 O TYR A 97 20.327 9.129 -5.305 1.00 13.23 O ATOM 652 CB TYR A 97 17.510 10.456 -4.067 1.00 12.36 C ATOM 653 CG TYR A 97 17.166 8.996 -4.246 1.00 12.31 C ATOM 654 CD1 TYR A 97 17.217 8.132 -3.197 1.00 12.44 C ATOM 655 CD2 TYR A 97 16.888 8.477 -5.505 1.00 12.73 C ATOM 656 CE1 TYR A 97 16.936 6.755 -3.347 1.00 13.25 C ATOM 657 CE2 TYR A 97 16.634 7.106 -5.694 1.00 13.28 C ATOM 658 CZ TYR A 97 16.668 6.254 -4.616 1.00 13.48 C ATOM 659 OH TYR A 97 16.463 4.907 -4.779 1.00 13.42 O ATOM 660 HH TYR A 97 16.524 4.456 -3.900 1.00 0.00 H ATOM 661 H TYR A 97 18.651 12.774 -3.614 1.00 0.00 H ATOM 662 N TYR A 98 19.561 10.932 -6.340 1.00 12.51 N ATOM 663 CA TYR A 98 20.094 10.564 -7.673 1.00 13.18 C ATOM 664 C TYR A 98 21.584 10.897 -7.817 1.00 13.85 C ATOM 665 O TYR A 98 22.208 10.571 -8.872 1.00 14.24 O ATOM 666 CB TYR A 98 19.225 11.132 -8.786 1.00 12.51 C ATOM 667 CG TYR A 98 17.846 10.482 -8.808 1.00 11.76 C ATOM 668 CD1 TYR A 98 17.714 9.166 -9.207 1.00 11.82 C ATOM 669 CD2 TYR A 98 16.703 11.168 -8.418 1.00 11.78 C ATOM 670 CE1 TYR A 98 16.476 8.568 -9.258 1.00 12.29 C ATOM 671 CE2 TYR A 98 15.416 10.582 -8.502 1.00 12.01 C ATOM 672 CZ TYR A 98 15.321 9.279 -8.939 1.00 12.30 C ATOM 673 OH TYR A 98 14.105 8.628 -9.079 1.00 13.09 O ATOM 674 HH TYR A 98 13.645 8.598 -8.203 1.00 0.00 H ATOM 675 H TYR A 98 19.066 11.840 -6.228 1.00 0.00 H ATOM 676 N LYS A 99 22.165 11.528 -6.795 1.00 13.95 N ATOM 677 CA LYS A 99 23.642 11.634 -6.707 1.00 14.81 C ATOM 678 C LYS A 99 24.206 10.317 -6.273 1.00 14.58 C ATOM 679 O LYS A 99 25.302 9.935 -6.642 1.00 15.29 O ATOM 680 CB LYS A 99 24.059 12.698 -5.694 1.00 15.27 C ATOM 681 CG LYS A 99 23.544 14.078 -5.889 1.00 18.54 C ATOM 682 CD LYS A 99 23.724 14.624 -7.221 1.00 18.64 C ATOM 683 CE LYS A 99 23.246 16.100 -7.281 1.00 18.94 C ATOM 684 NZ LYS A 99 23.010 16.407 -8.712 1.00 19.84 N ATOM 685 HZ1 LYS A 99 23.895 16.280 -9.243 1.00 0.00 H ATOM 686 HZ2 LYS A 99 22.284 15.765 -9.088 1.00 0.00 H ATOM 687 HZ3 LYS A 99 22.686 17.391 -8.805 1.00 0.00 H ATOM 688 H LYS A 99 21.575 11.951 -6.050 1.00 0.00 H ATOM 689 N ILE A 100 23.481 9.595 -5.398 1.00 14.28 N ATOM 690 CA ILE A 100 23.952 8.343 -4.827 1.00 14.71 C ATOM 691 C ILE A 100 23.494 7.120 -5.619 1.00 14.31 C ATOM 692 O ILE A 100 24.212 6.148 -5.818 1.00 14.97 O ATOM 693 CB ILE A 100 23.475 8.267 -3.355 1.00 15.29 C ATOM 694 CG1 ILE A 100 24.162 9.371 -2.528 1.00 16.76 C ATOM 695 CG2 ILE A 100 23.659 6.931 -2.702 1.00 16.02 C ATOM 696 CD1 ILE A 100 23.392 9.695 -1.259 1.00 19.64 C ATOM 697 H ILE A 100 22.544 9.948 -5.118 1.00 0.00 H ATOM 698 N ILE A 101 22.243 7.170 -6.049 1.00 12.98 N ATOM 699 CA ILE A 101 21.612 6.057 -6.789 1.00 13.23 C ATOM 700 C ILE A 101 21.555 6.312 -8.262 1.00 13.32 C ATOM 701 O ILE A 101 20.779 7.188 -8.698 1.00 13.84 O ATOM 702 CB ILE A 101 20.199 5.804 -6.245 1.00 13.27 C ATOM 703 CG1 ILE A 101 20.226 5.463 -4.733 1.00 14.12 C ATOM 704 CG2 ILE A 101 19.503 4.716 -7.014 1.00 13.60 C ATOM 705 CD1 ILE A 101 21.057 4.280 -4.367 1.00 14.90 C ATOM 706 H ILE A 101 21.683 8.025 -5.859 1.00 0.00 H ATOM 707 N LYS A 102 22.439 5.615 -8.985 1.00 13.44 N ATOM 708 CA LYS A 102 22.636 5.793 -10.430 1.00 14.30 C ATOM 709 C LYS A 102 21.903 4.730 -11.262 1.00 14.27 C ATOM 710 O LYS A 102 21.779 4.880 -12.481 1.00 15.07 O ATOM 711 CB LYS A 102 24.115 5.802 -10.833 1.00 15.30 C ATOM 712 CG LYS A 102 25.032 6.783 -10.147 1.00 18.40 C ATOM 713 CD LYS A 102 24.456 8.187 -10.273 1.00 18.61 C ATOM 714 CE LYS A 102 25.420 9.320 -9.973 1.00 19.21 C ATOM 715 NZ LYS A 102 24.682 10.575 -10.032 1.00 17.76 N ATOM 716 HZ1 LYS A 102 24.276 10.693 -10.982 1.00 0.00 H ATOM 717 HZ2 LYS A 102 23.918 10.560 -9.327 1.00 0.00 H ATOM 718 HZ3 LYS A 102 25.327 11.365 -9.829 1.00 0.00 H ATOM 719 H LYS A 102 23.021 4.906 -8.495 1.00 0.00 H ATOM 720 N THR A 103 21.380 3.682 -10.621 1.00 13.41 N ATOM 721 CA THR A 103 20.554 2.694 -11.296 1.00 14.85 C ATOM 722 C THR A 103 19.211 2.583 -10.550 1.00 14.23 C ATOM 723 O THR A 103 18.910 1.612 -9.830 1.00 14.48 O ATOM 724 CB THR A 103 21.288 1.324 -11.383 1.00 18.19 C ATOM 725 OG1 THR A 103 22.579 1.530 -11.985 1.00 20.98 O ATOM 726 CG2 THR A 103 20.570 0.341 -12.247 1.00 20.55 C ATOM 727 HG1 THR A 103 23.056 0.664 -12.046 1.00 0.00 H ATOM 728 H THR A 103 21.570 3.569 -9.605 1.00 0.00 H ATOM 729 N PRO A 104 18.375 3.614 -10.609 1.00 13.63 N ATOM 730 CA PRO A 104 17.087 3.560 -9.945 1.00 13.65 C ATOM 731 C PRO A 104 16.180 2.469 -10.488 1.00 13.29 C ATOM 732 O PRO A 104 16.230 2.099 -11.642 1.00 12.64 O ATOM 733 CB PRO A 104 16.470 4.933 -10.196 1.00 15.32 C ATOM 734 CG PRO A 104 17.319 5.544 -11.250 1.00 14.79 C ATOM 735 CD PRO A 104 18.534 4.769 -11.487 1.00 14.00 C ATOM 736 N MET A 105 15.353 1.938 -9.589 1.00 11.81 N ATOM 737 CA MET A 105 14.379 0.951 -9.952 1.00 11.70 C ATOM 738 C MET A 105 13.285 0.922 -8.922 1.00 12.35 C ATOM 739 O MET A 105 13.532 1.133 -7.706 1.00 12.90 O ATOM 740 CB MET A 105 14.980 -0.464 -10.081 1.00 12.09 C ATOM 741 CG MET A 105 14.059 -1.532 -10.691 1.00 12.14 C ATOM 742 SD MET A 105 13.218 -1.051 -12.227 1.00 13.76 S ATOM 743 CE MET A 105 14.540 -0.637 -13.373 1.00 13.62 C ATOM 744 H MET A 105 15.416 2.247 -8.598 1.00 0.00 H ATOM 745 N ASP A 106 12.085 0.637 -9.379 1.00 12.07 N ATOM 746 CA ASP A 106 10.912 0.650 -8.504 1.00 11.97 C ATOM 747 C ASP A 106 9.891 -0.329 -8.999 1.00 11.56 C ATOM 748 O ASP A 106 9.923 -0.766 -10.159 1.00 11.86 O ATOM 749 CB ASP A 106 10.315 2.060 -8.469 1.00 13.18 C ATOM 750 CG ASP A 106 9.794 2.468 -9.852 1.00 12.54 C ATOM 751 OD1 ASP A 106 10.587 2.858 -10.751 1.00 14.14 O ATOM 752 OD2 ASP A 106 8.589 2.292 -10.050 1.00 13.81 O ATOM 753 H ASP A 106 11.967 0.397 -10.384 1.00 0.00 H ATOM 754 N MET A 107 8.903 -0.624 -8.151 1.00 12.09 N ATOM 755 CA MET A 107 7.867 -1.597 -8.544 1.00 13.60 C ATOM 756 C MET A 107 6.897 -1.100 -9.570 1.00 13.16 C ATOM 757 O MET A 107 6.305 -1.921 -10.263 1.00 13.40 O ATOM 758 CB MET A 107 7.076 -2.147 -7.342 1.00 14.57 C ATOM 759 CG MET A 107 7.931 -2.913 -6.381 1.00 14.89 C ATOM 760 SD MET A 107 6.984 -4.039 -5.317 1.00 17.25 S ATOM 761 CE MET A 107 6.221 -2.861 -4.253 1.00 17.52 C ATOM 762 H MET A 107 8.864 -0.169 -7.217 1.00 0.00 H ATOM 763 N GLY A 108 6.678 0.202 -9.679 1.00 12.99 N ATOM 764 CA GLY A 108 5.829 0.771 -10.757 1.00 14.10 C ATOM 765 C GLY A 108 6.418 0.429 -12.119 1.00 12.48 C ATOM 766 O GLY A 108 5.753 -0.049 -13.029 1.00 15.16 O ATOM 767 H GLY A 108 7.114 0.846 -8.988 1.00 0.00 H ATOM 768 N THR A 109 7.712 0.729 -12.263 1.00 13.24 N ATOM 769 CA THR A 109 8.476 0.349 -13.459 1.00 12.77 C ATOM 770 C THR A 109 8.423 -1.166 -13.688 1.00 12.74 C ATOM 771 O THR A 109 8.176 -1.580 -14.835 1.00 12.34 O ATOM 772 CB THR A 109 9.922 0.825 -13.307 1.00 13.15 C ATOM 773 OG1 THR A 109 9.841 2.242 -13.200 1.00 13.06 O ATOM 774 CG2 THR A 109 10.800 0.390 -14.513 1.00 14.33 C ATOM 775 HG1 THR A 109 9.421 2.610 -14.017 1.00 0.00 H ATOM 776 H THR A 109 8.195 1.249 -11.503 1.00 0.00 H ATOM 777 N ILE A 110 8.651 -1.994 -12.659 1.00 12.06 N ATOM 778 CA ILE A 110 8.619 -3.439 -12.845 1.00 12.57 C ATOM 779 C ILE A 110 7.233 -3.904 -13.284 1.00 12.71 C ATOM 780 O ILE A 110 7.102 -4.736 -14.165 1.00 11.70 O ATOM 781 CB ILE A 110 9.083 -4.163 -11.551 1.00 12.02 C ATOM 782 CG1 ILE A 110 10.590 -3.863 -11.241 1.00 13.59 C ATOM 783 CG2 ILE A 110 8.884 -5.652 -11.693 1.00 13.50 C ATOM 784 CD1 ILE A 110 10.997 -4.225 -9.816 1.00 13.56 C ATOM 785 H ILE A 110 8.853 -1.601 -11.718 1.00 0.00 H ATOM 786 N LYS A 111 6.203 -3.395 -12.624 1.00 13.52 N ATOM 787 CA LYS A 111 4.828 -3.715 -12.989 1.00 14.40 C ATOM 788 C LYS A 111 4.558 -3.404 -14.449 1.00 14.06 C ATOM 789 O LYS A 111 3.993 -4.257 -15.189 1.00 14.34 O ATOM 790 CB LYS A 111 3.844 -2.958 -12.084 1.00 16.33 C ATOM 791 CG LYS A 111 2.366 -3.243 -12.346 1.00 18.71 C ATOM 792 CD LYS A 111 1.528 -2.460 -11.352 1.00 22.60 C ATOM 793 CE LYS A 111 0.101 -2.948 -11.348 1.00 27.58 C ATOM 794 NZ LYS A 111 -0.557 -2.251 -12.478 1.00 28.64 N ATOM 795 HZ1 LYS A 111 -0.505 -1.223 -12.327 1.00 0.00 H ATOM 796 HZ2 LYS A 111 -0.073 -2.497 -13.365 1.00 0.00 H ATOM 797 HZ3 LYS A 111 -1.553 -2.545 -12.532 1.00 0.00 H ATOM 798 H LYS A 111 6.380 -2.752 -11.826 1.00 0.00 H ATOM 799 N LYS A 112 4.952 -2.206 -14.881 1.00 13.46 N ATOM 800 CA LYS A 112 4.690 -1.822 -16.244 1.00 16.20 C ATOM 801 C LYS A 112 5.494 -2.722 -17.204 1.00 15.73 C ATOM 802 O LYS A 112 5.000 -3.145 -18.290 1.00 14.90 O ATOM 803 CB LYS A 112 4.933 -0.336 -16.472 1.00 19.40 C ATOM 804 CG LYS A 112 4.242 0.220 -17.715 1.00 27.88 C ATOM 805 CD LYS A 112 2.686 0.239 -17.579 1.00 32.31 C ATOM 806 CE LYS A 112 1.954 -0.272 -18.839 1.00 37.97 C ATOM 807 NZ LYS A 112 0.782 -1.190 -18.578 1.00 39.95 N ATOM 808 HZ1 LYS A 112 1.111 -2.033 -18.065 1.00 0.00 H ATOM 809 HZ2 LYS A 112 0.072 -0.690 -18.006 1.00 0.00 H ATOM 810 HZ3 LYS A 112 0.360 -1.477 -19.484 1.00 0.00 H ATOM 811 H LYS A 112 5.445 -1.554 -14.238 1.00 0.00 H ATOM 812 N ARG A 113 6.710 -3.048 -16.815 1.00 13.40 N ATOM 813 CA ARG A 113 7.569 -3.912 -17.665 1.00 13.03 C ATOM 814 C ARG A 113 6.911 -5.299 -17.814 1.00 12.33 C ATOM 815 O ARG A 113 6.813 -5.871 -18.919 1.00 13.72 O ATOM 816 CB ARG A 113 8.995 -4.043 -17.103 1.00 12.80 C ATOM 817 CG ARG A 113 9.854 -2.828 -17.355 1.00 12.39 C ATOM 818 CD ARG A 113 11.203 -2.947 -16.703 1.00 12.66 C ATOM 819 NE ARG A 113 11.998 -1.772 -17.103 1.00 11.97 N ATOM 820 CZ ARG A 113 13.318 -1.688 -16.950 1.00 12.89 C ATOM 821 NH1 ARG A 113 14.073 -2.609 -16.345 1.00 12.93 N ATOM 822 NH2 ARG A 113 13.900 -0.575 -17.405 1.00 14.36 N ATOM 823 HE ARG A 113 11.500 -0.964 -17.528 1.00 0.00 H ATOM 824 HH12 ARG A 113 15.100 -2.469 -16.266 1.00 0.00 H ATOM 825 HH11 ARG A 113 13.633 -3.466 -15.953 1.00 0.00 H ATOM 826 HH22 ARG A 113 14.929 -0.452 -17.314 1.00 0.00 H ATOM 827 HH21 ARG A 113 13.324 0.168 -17.850 1.00 0.00 H ATOM 828 H ARG A 113 7.072 -2.697 -15.905 1.00 0.00 H ATOM 829 N LEU A 114 6.451 -5.864 -16.728 1.00 12.29 N ATOM 830 CA LEU A 114 5.706 -7.138 -16.756 1.00 13.91 C ATOM 831 C LEU A 114 4.480 -7.050 -17.586 1.00 13.77 C ATOM 832 O LEU A 114 4.254 -7.970 -18.411 1.00 14.43 O ATOM 833 CB LEU A 114 5.335 -7.674 -15.343 1.00 14.18 C ATOM 834 CG LEU A 114 6.566 -8.138 -14.587 1.00 15.99 C ATOM 835 CD1 LEU A 114 6.242 -8.177 -13.106 1.00 16.26 C ATOM 836 CD2 LEU A 114 7.165 -9.479 -15.080 1.00 15.83 C ATOM 837 H LEU A 114 6.616 -5.399 -15.812 1.00 0.00 H ATOM 838 N GLU A 115 3.685 -5.999 -17.421 1.00 14.99 N ATOM 839 CA GLU A 115 2.428 -5.802 -18.225 1.00 16.95 C ATOM 840 C GLU A 115 2.726 -5.685 -19.704 1.00 19.08 C ATOM 841 O GLU A 115 1.944 -6.140 -20.553 1.00 21.59 O ATOM 842 CB GLU A 115 1.605 -4.640 -17.700 1.00 19.54 C ATOM 843 CG GLU A 115 1.017 -4.911 -16.365 1.00 21.90 C ATOM 844 CD GLU A 115 0.518 -3.650 -15.678 1.00 23.12 C ATOM 845 OE1 GLU A 115 0.751 -2.521 -16.145 1.00 26.38 O ATOM 846 OE2 GLU A 115 -0.052 -3.833 -14.604 1.00 28.38 O ATOM 847 H GLU A 115 3.941 -5.285 -16.709 1.00 0.00 H ATOM 848 N ASN A 116 3.889 -5.155 -20.017 1.00 16.16 N ATOM 849 CA ASN A 116 4.315 -4.884 -21.404 1.00 17.65 C ATOM 850 C ASN A 116 5.136 -6.011 -21.937 1.00 16.90 C ATOM 851 O ASN A 116 5.614 -5.905 -23.047 1.00 21.01 O ATOM 852 CB ASN A 116 5.142 -3.613 -21.473 1.00 19.07 C ATOM 853 CG ASN A 116 4.332 -2.383 -21.317 1.00 22.07 C ATOM 854 OD1 ASN A 116 3.095 -2.428 -21.326 1.00 25.04 O ATOM 855 ND2 ASN A 116 5.004 -1.263 -21.202 1.00 22.01 N ATOM 856 HD22 ASN A 116 6.044 -1.278 -21.200 1.00 0.00 H ATOM 857 HD21 ASN A 116 4.497 -0.359 -21.113 1.00 0.00 H ATOM 858 H ASN A 116 4.543 -4.914 -19.245 1.00 0.00 H ATOM 859 N ASN A 117 5.286 -7.110 -21.225 1.00 17.72 N ATOM 860 CA ASN A 117 6.068 -8.255 -21.682 1.00 17.85 C ATOM 861 C ASN A 117 7.513 -7.882 -22.065 1.00 17.77 C ATOM 862 O ASN A 117 8.109 -8.475 -22.971 1.00 19.93 O ATOM 863 CB ASN A 117 5.311 -8.989 -22.821 1.00 20.64 C ATOM 864 CG ASN A 117 3.974 -9.602 -22.319 1.00 23.13 C ATOM 865 OD1 ASN A 117 3.923 -10.284 -21.306 1.00 26.60 O ATOM 866 ND2 ASN A 117 2.914 -9.355 -23.034 1.00 30.89 N ATOM 867 HD22 ASN A 117 2.989 -8.771 -23.891 1.00 0.00 H ATOM 868 HD21 ASN A 117 1.992 -9.742 -22.748 1.00 0.00 H ATOM 869 H ASN A 117 4.826 -7.164 -20.294 1.00 0.00 H ATOM 870 N TYR A 118 8.088 -6.936 -21.328 1.00 13.94 N ATOM 871 CA TYR A 118 9.385 -6.344 -21.613 1.00 14.18 C ATOM 872 C TYR A 118 10.547 -7.292 -21.437 1.00 14.01 C ATOM 873 O TYR A 118 11.633 -7.057 -22.030 1.00 13.33 O ATOM 874 CB TYR A 118 9.552 -5.144 -20.648 1.00 13.38 C ATOM 875 CG TYR A 118 10.850 -4.356 -20.681 1.00 12.62 C ATOM 876 CD1 TYR A 118 11.031 -3.344 -21.598 1.00 14.23 C ATOM 877 CD2 TYR A 118 11.930 -4.625 -19.813 1.00 13.48 C ATOM 878 CE1 TYR A 118 12.181 -2.574 -21.593 1.00 14.09 C ATOM 879 CE2 TYR A 118 13.066 -3.885 -19.862 1.00 12.80 C ATOM 880 CZ TYR A 118 13.184 -2.858 -20.715 1.00 15.13 C ATOM 881 OH TYR A 118 14.371 -2.155 -20.738 1.00 18.68 O ATOM 882 HH TYR A 118 14.312 -1.431 -21.411 1.00 0.00 H ATOM 883 H TYR A 118 7.574 -6.596 -20.490 1.00 0.00 H ATOM 884 N TYR A 119 10.411 -8.284 -20.551 1.00 12.20 N ATOM 885 CA TYR A 119 11.546 -9.110 -20.197 1.00 12.56 C ATOM 886 C TYR A 119 11.751 -10.319 -21.138 1.00 12.36 C ATOM 887 O TYR A 119 10.792 -10.865 -21.668 1.00 13.32 O ATOM 888 CB TYR A 119 11.321 -9.643 -18.790 1.00 12.08 C ATOM 889 CG TYR A 119 11.286 -8.566 -17.698 1.00 11.59 C ATOM 890 CD1 TYR A 119 12.442 -7.813 -17.400 1.00 11.95 C ATOM 891 CD2 TYR A 119 10.094 -8.249 -17.024 1.00 12.45 C ATOM 892 CE1 TYR A 119 12.432 -6.858 -16.390 1.00 11.72 C ATOM 893 CE2 TYR A 119 10.099 -7.297 -16.026 1.00 13.42 C ATOM 894 CZ TYR A 119 11.245 -6.604 -15.736 1.00 12.68 C ATOM 895 OH TYR A 119 11.220 -5.713 -14.670 1.00 12.92 O ATOM 896 HH TYR A 119 12.109 -5.287 -14.577 1.00 0.00 H ATOM 897 H TYR A 119 9.485 -8.463 -20.114 1.00 0.00 H ATOM 898 N TRP A 120 12.972 -10.779 -21.215 1.00 13.21 N ATOM 899 CA TRP A 120 13.289 -12.025 -21.931 1.00 13.39 C ATOM 900 C TRP A 120 13.216 -13.239 -21.020 1.00 13.66 C ATOM 901 O TRP A 120 12.872 -14.363 -21.461 1.00 13.71 O ATOM 902 CB TRP A 120 14.707 -11.906 -22.482 1.00 13.03 C ATOM 903 CG TRP A 120 15.214 -13.142 -23.144 1.00 13.31 C ATOM 904 CD1 TRP A 120 16.034 -14.088 -22.612 1.00 13.65 C ATOM 905 CD2 TRP A 120 14.934 -13.552 -24.477 1.00 12.71 C ATOM 906 NE1 TRP A 120 16.304 -15.042 -23.552 1.00 14.87 N ATOM 907 CE2 TRP A 120 15.644 -14.733 -24.709 1.00 13.10 C ATOM 908 CE3 TRP A 120 14.183 -13.007 -25.512 1.00 12.46 C ATOM 909 CZ2 TRP A 120 15.572 -15.415 -25.937 1.00 15.03 C ATOM 910 CZ3 TRP A 120 14.155 -13.719 -26.760 1.00 14.56 C ATOM 911 CH2 TRP A 120 14.855 -14.868 -26.916 1.00 14.51 C ATOM 912 HE1 TRP A 120 16.915 -15.872 -23.410 1.00 0.00 H ATOM 913 H TRP A 120 13.741 -10.249 -20.757 1.00 0.00 H ATOM 914 N ASN A 121 13.513 -13.051 -19.725 1.00 13.28 N ATOM 915 CA ASN A 121 13.444 -14.178 -18.792 1.00 13.72 C ATOM 916 C ASN A 121 13.188 -13.682 -17.404 1.00 13.75 C ATOM 917 O ASN A 121 13.172 -12.474 -17.135 1.00 13.31 O ATOM 918 CB ASN A 121 14.747 -14.991 -18.818 1.00 14.61 C ATOM 919 CG ASN A 121 16.019 -14.210 -18.485 1.00 16.78 C ATOM 920 OD1 ASN A 121 16.022 -13.215 -17.809 1.00 16.28 O ATOM 921 ND2 ASN A 121 17.151 -14.728 -18.942 1.00 20.36 N ATOM 922 HD22 ASN A 121 17.131 -15.589 -19.525 1.00 0.00 H ATOM 923 HD21 ASN A 121 18.059 -14.273 -18.717 1.00 0.00 H ATOM 924 H ASN A 121 13.791 -12.108 -19.385 1.00 0.00 H ATOM 925 N ALA A 122 13.111 -14.623 -16.485 1.00 14.49 N ATOM 926 CA ALA A 122 12.801 -14.280 -15.091 1.00 15.66 C ATOM 927 C ALA A 122 13.928 -13.552 -14.463 1.00 14.23 C ATOM 928 O ALA A 122 13.700 -12.631 -13.636 1.00 13.74 O ATOM 929 CB ALA A 122 12.443 -15.561 -14.325 1.00 15.18 C ATOM 930 H ALA A 122 13.271 -15.616 -16.749 1.00 0.00 H ATOM 931 N GLN A 123 15.156 -13.890 -14.788 1.00 14.28 N ATOM 932 CA GLN A 123 16.345 -13.258 -14.233 1.00 14.60 C ATOM 933 C GLN A 123 16.333 -11.783 -14.436 1.00 14.45 C ATOM 934 O GLN A 123 16.702 -11.030 -13.521 1.00 13.74 O ATOM 935 CB GLN A 123 17.664 -13.840 -14.830 1.00 16.99 C ATOM 936 CG GLN A 123 18.989 -13.427 -14.130 1.00 18.72 C ATOM 937 CD GLN A 123 19.568 -11.985 -14.363 1.00 22.88 C ATOM 938 OE1 GLN A 123 19.511 -11.410 -15.454 1.00 26.78 O ATOM 939 NE2 GLN A 123 20.147 -11.389 -13.276 1.00 23.66 N ATOM 940 HE22 GLN A 123 20.184 -11.891 -12.366 1.00 0.00 H ATOM 941 HE21 GLN A 123 20.550 -10.434 -13.360 1.00 0.00 H ATOM 942 H GLN A 123 15.286 -14.653 -15.482 1.00 0.00 H ATOM 943 N GLU A 124 15.964 -11.309 -15.620 1.00 13.94 N ATOM 944 CA GLU A 124 15.950 -9.863 -15.833 1.00 14.35 C ATOM 945 C GLU A 124 14.998 -9.170 -14.881 1.00 12.80 C ATOM 946 O GLU A 124 15.335 -8.072 -14.369 1.00 13.50 O ATOM 947 CB GLU A 124 15.572 -9.455 -17.246 1.00 14.27 C ATOM 948 CG GLU A 124 16.540 -9.964 -18.316 1.00 15.03 C ATOM 949 CD GLU A 124 16.210 -9.530 -19.707 1.00 15.49 C ATOM 950 OE1 GLU A 124 15.021 -9.292 -19.959 1.00 13.32 O ATOM 951 OE2 GLU A 124 17.149 -9.498 -20.554 1.00 17.27 O ATOM 952 H GLU A 124 15.689 -11.957 -16.385 1.00 0.00 H ATOM 953 N CYS A 125 13.838 -9.754 -14.652 1.00 12.17 N ATOM 954 CA CYS A 125 12.884 -9.137 -13.734 1.00 11.30 C ATOM 955 C CYS A 125 13.323 -9.226 -12.262 1.00 11.19 C ATOM 956 O CYS A 125 13.336 -8.237 -11.542 1.00 12.71 O ATOM 957 CB CYS A 125 11.526 -9.838 -13.900 1.00 12.48 C ATOM 958 SG CYS A 125 10.226 -9.297 -12.739 1.00 14.30 S ATOM 959 H CYS A 125 13.603 -10.651 -15.123 1.00 0.00 H ATOM 960 N ILE A 126 13.790 -10.372 -11.845 1.00 11.91 N ATOM 961 CA ILE A 126 14.369 -10.540 -10.497 1.00 12.85 C ATOM 962 C ILE A 126 15.504 -9.578 -10.245 1.00 13.61 C ATOM 963 O ILE A 126 15.596 -8.995 -9.165 1.00 13.23 O ATOM 964 CB ILE A 126 14.814 -12.031 -10.298 1.00 13.42 C ATOM 965 CG1 ILE A 126 13.556 -12.874 -10.188 1.00 14.23 C ATOM 966 CG2 ILE A 126 15.732 -12.197 -9.092 1.00 15.22 C ATOM 967 CD1 ILE A 126 13.796 -14.366 -10.356 1.00 15.01 C ATOM 968 H ILE A 126 13.753 -11.193 -12.483 1.00 0.00 H ATOM 969 N GLN A 127 16.383 -9.343 -11.229 1.00 12.61 N ATOM 970 CA GLN A 127 17.445 -8.397 -11.069 1.00 14.32 C ATOM 971 C GLN A 127 16.910 -6.977 -10.802 1.00 14.01 C ATOM 972 O GLN A 127 17.515 -6.187 -10.048 1.00 13.86 O ATOM 973 CB GLN A 127 18.262 -8.403 -12.329 1.00 18.29 C ATOM 974 CG GLN A 127 19.490 -7.527 -12.329 1.00 24.95 C ATOM 975 CD GLN A 127 20.445 -8.104 -13.396 1.00 34.41 C ATOM 976 OE1 GLN A 127 21.560 -8.515 -13.088 1.00 43.04 O ATOM 977 NE2 GLN A 127 19.924 -8.264 -14.638 1.00 43.56 N ATOM 978 HE22 GLN A 127 18.974 -7.899 -14.855 1.00 0.00 H ATOM 979 HE21 GLN A 127 20.474 -8.751 -15.374 1.00 0.00 H ATOM 980 H GLN A 127 16.292 -9.859 -12.127 1.00 0.00 H ATOM 981 N ASP A 128 15.797 -6.625 -11.466 1.00 11.78 N ATOM 982 CA ASP A 128 15.194 -5.353 -11.177 1.00 12.44 C ATOM 983 C ASP A 128 14.747 -5.238 -9.730 1.00 12.42 C ATOM 984 O ASP A 128 14.966 -4.221 -9.074 1.00 11.53 O ATOM 985 CB ASP A 128 14.016 -4.997 -12.126 1.00 12.38 C ATOM 986 CG ASP A 128 14.449 -4.580 -13.520 1.00 13.78 C ATOM 987 OD1 ASP A 128 15.651 -4.171 -13.730 1.00 14.60 O ATOM 988 OD2 ASP A 128 13.567 -4.597 -14.417 1.00 14.22 O ATOM 989 H ASP A 128 15.380 -7.261 -12.176 1.00 0.00 H ATOM 990 N PHE A 129 14.119 -6.273 -9.206 1.00 11.56 N ATOM 991 CA PHE A 129 13.746 -6.262 -7.779 1.00 12.19 C ATOM 992 C PHE A 129 14.960 -6.161 -6.898 1.00 11.63 C ATOM 993 O PHE A 129 14.973 -5.340 -5.966 1.00 11.93 O ATOM 994 CB PHE A 129 12.999 -7.568 -7.420 1.00 12.88 C ATOM 995 CG PHE A 129 11.540 -7.535 -7.718 1.00 13.75 C ATOM 996 CD1 PHE A 129 10.591 -6.900 -6.882 1.00 13.86 C ATOM 997 CD2 PHE A 129 11.046 -8.214 -8.816 1.00 14.21 C ATOM 998 CE1 PHE A 129 9.232 -6.941 -7.143 1.00 14.52 C ATOM 999 CE2 PHE A 129 9.685 -8.226 -9.077 1.00 14.36 C ATOM 1000 CZ PHE A 129 8.762 -7.637 -8.235 1.00 14.87 C ATOM 1001 H PHE A 129 13.887 -7.096 -9.798 1.00 0.00 H ATOM 1002 N ASN A 130 16.028 -6.896 -7.242 1.00 12.49 N ATOM 1003 CA ASN A 130 17.260 -6.861 -6.446 1.00 14.13 C ATOM 1004 C ASN A 130 17.887 -5.454 -6.460 1.00 13.10 C ATOM 1005 O ASN A 130 18.341 -4.982 -5.416 1.00 14.20 O ATOM 1006 CB ASN A 130 18.329 -7.841 -6.938 1.00 15.99 C ATOM 1007 CG ASN A 130 17.924 -9.281 -6.836 1.00 19.30 C ATOM 1008 OD1 ASN A 130 17.098 -9.638 -6.030 1.00 20.38 O ATOM 1009 ND2 ASN A 130 18.572 -10.110 -7.631 1.00 20.57 N ATOM 1010 HD22 ASN A 130 19.273 -9.742 -8.306 1.00 0.00 H ATOM 1011 HD21 ASN A 130 18.382 -11.131 -7.583 1.00 0.00 H ATOM 1012 H ASN A 130 15.982 -7.501 -8.087 1.00 0.00 H ATOM 1013 N THR A 131 17.862 -4.771 -7.610 1.00 11.72 N ATOM 1014 CA THR A 131 18.356 -3.388 -7.708 1.00 12.57 C ATOM 1015 C THR A 131 17.551 -2.456 -6.809 1.00 12.91 C ATOM 1016 O THR A 131 18.112 -1.648 -6.071 1.00 13.48 O ATOM 1017 CB THR A 131 18.276 -2.951 -9.139 1.00 12.87 C ATOM 1018 OG1 THR A 131 19.064 -3.792 -9.995 1.00 13.93 O ATOM 1019 CG2 THR A 131 18.720 -1.526 -9.350 1.00 13.59 C ATOM 1020 HG1 THR A 131 18.735 -4.724 -9.934 1.00 0.00 H ATOM 1021 H THR A 131 17.482 -5.232 -8.461 1.00 0.00 H ATOM 1022 N MET A 132 16.248 -2.616 -6.828 1.00 11.65 N ATOM 1023 CA MET A 132 15.403 -1.776 -5.988 1.00 12.12 C ATOM 1024 C MET A 132 15.751 -1.943 -4.532 1.00 11.94 C ATOM 1025 O MET A 132 15.930 -0.974 -3.817 1.00 12.64 O ATOM 1026 CB MET A 132 13.910 -2.123 -6.278 1.00 12.18 C ATOM 1027 CG MET A 132 12.925 -1.394 -5.363 1.00 12.57 C ATOM 1028 SD MET A 132 11.242 -1.923 -5.613 1.00 14.03 S ATOM 1029 CE MET A 132 11.258 -3.406 -4.672 1.00 17.14 C ATOM 1030 H MET A 132 15.820 -3.340 -7.440 1.00 0.00 H ATOM 1031 N PHE A 133 15.848 -3.168 -4.057 1.00 12.38 N ATOM 1032 CA PHE A 133 16.134 -3.384 -2.637 1.00 12.64 C ATOM 1033 C PHE A 133 17.569 -2.884 -2.318 1.00 12.68 C ATOM 1034 O PHE A 133 17.761 -2.218 -1.307 1.00 14.00 O ATOM 1035 CB PHE A 133 15.987 -4.889 -2.306 1.00 13.69 C ATOM 1036 CG PHE A 133 14.582 -5.394 -2.299 1.00 15.00 C ATOM 1037 CD1 PHE A 133 13.602 -4.832 -1.516 1.00 17.81 C ATOM 1038 CD2 PHE A 133 14.212 -6.446 -3.111 1.00 16.42 C ATOM 1039 CE1 PHE A 133 12.291 -5.300 -1.553 1.00 19.59 C ATOM 1040 CE2 PHE A 133 12.933 -6.939 -3.132 1.00 17.08 C ATOM 1041 CZ PHE A 133 11.946 -6.385 -2.341 1.00 17.41 C ATOM 1042 H PHE A 133 15.721 -3.983 -4.691 1.00 0.00 H ATOM 1043 N THR A 134 18.556 -3.230 -3.138 1.00 12.91 N ATOM 1044 CA THR A 134 19.925 -2.783 -2.926 1.00 15.63 C ATOM 1045 C THR A 134 19.998 -1.253 -2.879 1.00 14.53 C ATOM 1046 O THR A 134 20.640 -0.664 -1.984 1.00 15.38 O ATOM 1047 CB THR A 134 20.878 -3.334 -4.010 1.00 18.01 C ATOM 1048 OG1 THR A 134 20.998 -4.754 -3.803 1.00 22.17 O ATOM 1049 CG2 THR A 134 22.267 -2.630 -3.966 1.00 18.83 C ATOM 1050 HG1 THR A 134 20.105 -5.174 -3.882 1.00 0.00 H ATOM 1051 H THR A 134 18.344 -3.838 -3.955 1.00 0.00 H ATOM 1052 N ASN A 135 19.289 -0.552 -3.776 1.00 13.47 N ATOM 1053 CA ASN A 135 19.295 0.889 -3.698 1.00 14.05 C ATOM 1054 C ASN A 135 18.853 1.384 -2.319 1.00 13.46 C ATOM 1055 O ASN A 135 19.405 2.362 -1.745 1.00 13.83 O ATOM 1056 CB ASN A 135 18.381 1.526 -4.742 1.00 13.58 C ATOM 1057 CG ASN A 135 18.874 1.328 -6.159 1.00 12.93 C ATOM 1058 OD1 ASN A 135 20.059 1.039 -6.383 1.00 14.15 O ATOM 1059 ND2 ASN A 135 17.928 1.444 -7.136 1.00 13.47 N ATOM 1060 HD22 ASN A 135 16.949 1.689 -6.885 1.00 0.00 H ATOM 1061 HD21 ASN A 135 18.186 1.287 -8.131 1.00 0.00 H ATOM 1062 H ASN A 135 18.744 -1.039 -4.516 1.00 0.00 H ATOM 1063 N CYS A 136 17.812 0.745 -1.772 1.00 12.78 N ATOM 1064 CA CYS A 136 17.245 1.167 -0.494 1.00 13.39 C ATOM 1065 C CYS A 136 18.307 0.972 0.634 1.00 13.13 C ATOM 1066 O CYS A 136 18.511 1.826 1.488 1.00 13.97 O ATOM 1067 CB CYS A 136 15.992 0.344 -0.213 1.00 14.01 C ATOM 1068 SG CYS A 136 15.228 0.864 1.292 1.00 17.50 S ATOM 1069 H CYS A 136 17.398 -0.070 -2.268 1.00 0.00 H ATOM 1070 N TYR A 137 18.996 -0.149 0.564 1.00 14.37 N ATOM 1071 CA TYR A 137 20.001 -0.425 1.596 1.00 14.69 C ATOM 1072 C TYR A 137 21.226 0.443 1.453 1.00 17.61 C ATOM 1073 O TYR A 137 21.822 0.801 2.496 1.00 18.04 O ATOM 1074 CB TYR A 137 20.368 -1.904 1.666 1.00 15.17 C ATOM 1075 CG TYR A 137 19.176 -2.822 1.814 1.00 14.92 C ATOM 1076 CD1 TYR A 137 18.136 -2.528 2.691 1.00 16.24 C ATOM 1077 CD2 TYR A 137 19.075 -3.973 1.042 1.00 15.17 C ATOM 1078 CE1 TYR A 137 17.026 -3.349 2.764 1.00 17.25 C ATOM 1079 CE2 TYR A 137 18.001 -4.820 1.146 1.00 16.43 C ATOM 1080 CZ TYR A 137 16.962 -4.492 2.019 1.00 17.00 C ATOM 1081 OH TYR A 137 15.863 -5.299 2.111 1.00 20.75 O ATOM 1082 HH TYR A 137 16.142 -6.203 2.401 1.00 0.00 H ATOM 1083 H TYR A 137 18.830 -0.825 -0.208 1.00 0.00 H ATOM 1084 N ILE A 138 21.576 0.862 0.232 1.00 15.55 N ATOM 1085 CA ILE A 138 22.648 1.837 0.061 1.00 16.25 C ATOM 1086 C ILE A 138 22.280 3.211 0.624 1.00 17.06 C ATOM 1087 O ILE A 138 23.072 3.900 1.285 1.00 16.38 O ATOM 1088 CB ILE A 138 23.041 1.922 -1.423 1.00 19.20 C ATOM 1089 CG1 ILE A 138 23.767 0.677 -1.866 1.00 20.25 C ATOM 1090 CG2 ILE A 138 23.964 3.113 -1.658 1.00 18.60 C ATOM 1091 CD1 ILE A 138 23.911 0.543 -3.382 1.00 21.98 C ATOM 1092 H ILE A 138 21.080 0.490 -0.603 1.00 0.00 H ATOM 1093 N TYR A 139 21.089 3.717 0.253 1.00 16.00 N ATOM 1094 CA TYR A 139 20.747 5.063 0.469 1.00 15.73 C ATOM 1095 C TYR A 139 20.438 5.372 1.925 1.00 15.96 C ATOM 1096 O TYR A 139 20.729 6.525 2.404 1.00 17.19 O ATOM 1097 CB TYR A 139 19.598 5.509 -0.459 1.00 14.62 C ATOM 1098 CG TYR A 139 19.190 6.920 -0.274 1.00 13.75 C ATOM 1099 CD1 TYR A 139 20.023 7.970 -0.708 1.00 12.99 C ATOM 1100 CD2 TYR A 139 18.036 7.274 0.417 1.00 14.79 C ATOM 1101 CE1 TYR A 139 19.686 9.265 -0.459 1.00 15.26 C ATOM 1102 CE2 TYR A 139 17.680 8.576 0.651 1.00 15.19 C ATOM 1103 CZ TYR A 139 18.521 9.590 0.184 1.00 14.64 C ATOM 1104 OH TYR A 139 18.196 10.898 0.498 1.00 17.67 O ATOM 1105 HH TYR A 139 18.871 11.508 0.107 1.00 0.00 H ATOM 1106 H TYR A 139 20.399 3.091 -0.209 1.00 0.00 H ATOM 1107 N ASN A 140 19.890 4.411 2.651 1.00 15.23 N ATOM 1108 CA ASN A 140 19.332 4.709 3.970 1.00 16.82 C ATOM 1109 C ASN A 140 20.186 4.037 5.026 1.00 22.14 C ATOM 1110 O ASN A 140 21.151 3.364 4.687 1.00 22.90 O ATOM 1111 CB ASN A 140 17.879 4.177 4.045 1.00 16.00 C ATOM 1112 CG ASN A 140 16.959 4.766 2.942 1.00 15.43 C ATOM 1113 OD1 ASN A 140 16.383 5.865 3.057 1.00 15.33 O ATOM 1114 ND2 ASN A 140 16.862 4.020 1.844 1.00 13.95 N ATOM 1115 HD22 ASN A 140 17.359 3.108 1.789 1.00 0.00 H ATOM 1116 HD21 ASN A 140 16.289 4.349 1.041 1.00 0.00 H ATOM 1117 H ASN A 140 19.856 3.439 2.282 1.00 0.00 H ATOM 1118 N LYS A 141 19.856 4.247 6.291 1.00 25.84 N ATOM 1119 CA LYS A 141 20.648 3.649 7.388 1.00 31.56 C ATOM 1120 C LYS A 141 19.933 2.423 7.955 1.00 29.64 C ATOM 1121 O LYS A 141 18.724 2.444 8.060 1.00 25.40 O ATOM 1122 CB LYS A 141 20.871 4.698 8.473 1.00 35.88 C ATOM 1123 CG LYS A 141 21.710 5.883 7.975 1.00 40.88 C ATOM 1124 CD LYS A 141 22.662 6.418 9.062 1.00 43.52 C ATOM 1125 CE LYS A 141 23.633 7.494 8.564 1.00 43.95 C ATOM 1126 NZ LYS A 141 24.959 7.010 8.038 1.00 44.69 N ATOM 1127 HZ1 LYS A 141 25.463 6.497 8.790 1.00 0.00 H ATOM 1128 HZ2 LYS A 141 24.799 6.374 7.231 1.00 0.00 H ATOM 1129 HZ3 LYS A 141 25.528 7.825 7.732 1.00 0.00 H ATOM 1130 H LYS A 141 19.031 4.839 6.516 1.00 0.00 H ATOM 1131 N PRO A 142 20.680 1.371 8.398 1.00 27.92 N ATOM 1132 CA PRO A 142 19.973 0.267 9.058 1.00 29.96 C ATOM 1133 C PRO A 142 19.086 0.751 10.231 1.00 28.56 C ATOM 1134 O PRO A 142 19.437 1.686 10.906 1.00 30.01 O ATOM 1135 CB PRO A 142 21.107 -0.673 9.523 1.00 31.93 C ATOM 1136 CG PRO A 142 22.323 -0.257 8.732 1.00 30.91 C ATOM 1137 CD PRO A 142 22.137 1.141 8.250 1.00 30.64 C ATOM 1138 N GLY A 143 17.915 0.158 10.394 1.00 27.41 N ATOM 1139 CA GLY A 143 16.925 0.580 11.378 1.00 26.76 C ATOM 1140 C GLY A 143 15.985 1.682 10.961 1.00 25.18 C ATOM 1141 O GLY A 143 14.972 1.888 11.628 1.00 26.62 O ATOM 1142 H GLY A 143 17.688 -0.655 9.786 1.00 0.00 H ATOM 1143 N ASP A 144 16.314 2.424 9.893 1.00 22.45 N ATOM 1144 CA ASP A 144 15.377 3.433 9.374 1.00 20.46 C ATOM 1145 C ASP A 144 14.024 2.763 9.017 1.00 17.93 C ATOM 1146 O ASP A 144 13.994 1.630 8.562 1.00 17.54 O ATOM 1147 CB ASP A 144 15.900 4.090 8.068 1.00 23.81 C ATOM 1148 CG ASP A 144 16.978 5.152 8.298 1.00 27.26 C ATOM 1149 OD1 ASP A 144 17.166 5.533 9.481 1.00 25.70 O ATOM 1150 OD2 ASP A 144 17.598 5.645 7.289 1.00 27.23 O ATOM 1151 H ASP A 144 17.235 2.286 9.430 1.00 0.00 H ATOM 1152 N ASP A 145 12.948 3.524 9.114 1.00 16.97 N ATOM 1153 CA ASP A 145 11.629 3.012 8.742 1.00 16.43 C ATOM 1154 C ASP A 145 11.633 2.443 7.320 1.00 14.84 C ATOM 1155 O ASP A 145 11.058 1.360 7.044 1.00 15.36 O ATOM 1156 CB ASP A 145 10.547 4.087 8.821 1.00 17.93 C ATOM 1157 CG ASP A 145 9.953 4.251 10.226 1.00 21.00 C ATOM 1158 OD1 ASP A 145 10.123 3.345 11.079 1.00 21.01 O ATOM 1159 OD2 ASP A 145 9.280 5.301 10.430 1.00 22.74 O ATOM 1160 H ASP A 145 13.040 4.501 9.460 1.00 0.00 H ATOM 1161 N ILE A 146 12.199 3.186 6.375 1.00 14.49 N ATOM 1162 CA ILE A 146 12.247 2.700 5.011 1.00 14.08 C ATOM 1163 C ILE A 146 12.962 1.368 4.897 1.00 14.08 C ATOM 1164 O ILE A 146 12.591 0.555 4.064 1.00 13.74 O ATOM 1165 CB ILE A 146 12.884 3.786 4.108 1.00 15.99 C ATOM 1166 CG1 ILE A 146 11.895 4.903 3.899 1.00 21.74 C ATOM 1167 CG2 ILE A 146 13.300 3.249 2.730 1.00 19.23 C ATOM 1168 CD1 ILE A 146 10.823 4.519 2.837 1.00 22.93 C ATOM 1169 H ILE A 146 12.606 4.113 6.614 1.00 0.00 H ATOM 1170 N VAL A 147 14.042 1.175 5.629 1.00 13.78 N ATOM 1171 CA VAL A 147 14.784 -0.041 5.619 1.00 15.55 C ATOM 1172 C VAL A 147 13.973 -1.199 6.211 1.00 15.55 C ATOM 1173 O VAL A 147 13.966 -2.314 5.650 1.00 14.72 O ATOM 1174 CB VAL A 147 16.175 0.105 6.279 1.00 16.64 C ATOM 1175 CG1 VAL A 147 16.909 -1.241 6.295 1.00 19.07 C ATOM 1176 CG2 VAL A 147 16.991 1.111 5.467 1.00 17.46 C ATOM 1177 H VAL A 147 14.368 1.948 6.243 1.00 0.00 H ATOM 1178 N LEU A 148 13.249 -0.948 7.308 1.00 14.62 N ATOM 1179 CA LEU A 148 12.345 -1.958 7.873 1.00 16.56 C ATOM 1180 C LEU A 148 11.319 -2.381 6.846 1.00 15.44 C ATOM 1181 O LEU A 148 11.049 -3.568 6.682 1.00 14.65 O ATOM 1182 CB LEU A 148 11.628 -1.471 9.139 1.00 17.69 C ATOM 1183 CG LEU A 148 12.535 -1.140 10.362 1.00 21.09 C ATOM 1184 CD1 LEU A 148 11.703 -0.519 11.478 1.00 21.85 C ATOM 1185 CD2 LEU A 148 13.347 -2.324 10.845 1.00 23.55 C ATOM 1186 H LEU A 148 13.328 -0.019 7.770 1.00 0.00 H ATOM 1187 N MET A 149 10.802 -1.430 6.084 1.00 13.73 N ATOM 1188 CA MET A 149 9.859 -1.737 5.005 1.00 14.15 C ATOM 1189 C MET A 149 10.482 -2.607 3.905 1.00 14.61 C ATOM 1190 O MET A 149 9.928 -3.627 3.534 1.00 14.24 O ATOM 1191 CB MET A 149 9.335 -0.439 4.409 1.00 13.85 C ATOM 1192 CG MET A 149 8.499 0.337 5.426 1.00 13.28 C ATOM 1193 SD MET A 149 8.229 2.062 4.905 1.00 15.73 S ATOM 1194 CE MET A 149 6.625 1.866 4.201 1.00 15.05 C ATOM 1195 H MET A 149 11.072 -0.440 6.255 1.00 0.00 H ATOM 1196 N ALA A 150 11.681 -2.212 3.444 1.00 14.05 N ATOM 1197 CA ALA A 150 12.335 -2.996 2.401 1.00 15.42 C ATOM 1198 C ALA A 150 12.660 -4.392 2.879 1.00 15.07 C ATOM 1199 O ALA A 150 12.448 -5.329 2.137 1.00 15.41 O ATOM 1200 CB ALA A 150 13.612 -2.296 1.968 1.00 16.13 C ATOM 1201 H ALA A 150 12.137 -1.359 3.826 1.00 0.00 H ATOM 1202 N GLU A 151 13.152 -4.517 4.101 1.00 15.24 N ATOM 1203 CA GLU A 151 13.467 -5.842 4.698 1.00 16.36 C ATOM 1204 C GLU A 151 12.244 -6.728 4.673 1.00 16.33 C ATOM 1205 O GLU A 151 12.337 -7.911 4.306 1.00 16.30 O ATOM 1206 CB GLU A 151 14.077 -5.805 6.120 1.00 17.82 C ATOM 1207 CG GLU A 151 15.417 -5.137 6.236 1.00 22.64 C ATOM 1208 CD GLU A 151 15.978 -5.079 7.669 1.00 24.75 C ATOM 1209 OE1 GLU A 151 15.383 -5.578 8.647 1.00 33.92 O ATOM 1210 OE2 GLU A 151 17.092 -4.545 7.831 1.00 32.33 O ATOM 1211 H GLU A 151 13.324 -3.659 4.663 1.00 0.00 H ATOM 1212 N ALA A 152 11.081 -6.200 5.026 1.00 15.37 N ATOM 1213 CA ALA A 152 9.880 -7.012 5.063 1.00 15.66 C ATOM 1214 C ALA A 152 9.427 -7.397 3.684 1.00 15.28 C ATOM 1215 O ALA A 152 9.057 -8.540 3.463 1.00 16.70 O ATOM 1216 CB ALA A 152 8.780 -6.294 5.842 1.00 16.39 C ATOM 1217 H ALA A 152 11.029 -5.193 5.279 1.00 0.00 H ATOM 1218 N LEU A 153 9.484 -6.452 2.746 1.00 14.85 N ATOM 1219 CA LEU A 153 9.138 -6.755 1.386 1.00 14.28 C ATOM 1220 C LEU A 153 10.104 -7.766 0.785 1.00 15.36 C ATOM 1221 O LEU A 153 9.625 -8.627 0.013 1.00 15.56 O ATOM 1222 CB LEU A 153 9.106 -5.475 0.547 1.00 14.74 C ATOM 1223 CG LEU A 153 7.956 -4.511 0.840 1.00 14.77 C ATOM 1224 CD1 LEU A 153 8.176 -3.232 0.043 1.00 16.76 C ATOM 1225 CD2 LEU A 153 6.535 -5.022 0.581 1.00 16.48 C ATOM 1226 H LEU A 153 9.781 -5.489 3.001 1.00 0.00 H ATOM 1227 N GLU A 154 11.396 -7.616 1.089 1.00 16.51 N ATOM 1228 CA GLU A 154 12.427 -8.541 0.570 1.00 17.07 C ATOM 1229 C GLU A 154 12.210 -9.962 1.113 1.00 17.13 C ATOM 1230 O GLU A 154 12.330 -10.919 0.366 1.00 17.34 O ATOM 1231 CB GLU A 154 13.810 -8.057 0.874 1.00 18.55 C ATOM 1232 CG GLU A 154 14.849 -8.896 0.138 1.00 22.43 C ATOM 1233 CD GLU A 154 16.244 -8.469 0.462 1.00 26.84 C ATOM 1234 OE1 GLU A 154 16.523 -7.777 1.460 1.00 29.30 O ATOM 1235 OE2 GLU A 154 17.110 -8.948 -0.291 1.00 36.27 O ATOM 1236 H GLU A 154 11.684 -6.830 1.706 1.00 0.00 H ATOM 1237 N LYS A 155 11.873 -10.091 2.392 1.00 16.70 N ATOM 1238 CA LYS A 155 11.515 -11.399 2.958 1.00 18.03 C ATOM 1239 C LYS A 155 10.357 -12.038 2.197 1.00 17.72 C ATOM 1240 O LYS A 155 10.399 -13.239 1.824 1.00 17.03 O ATOM 1241 CB LYS A 155 11.178 -11.220 4.436 1.00 19.96 C ATOM 1242 CG LYS A 155 10.740 -12.511 5.130 1.00 25.31 C ATOM 1243 CD LYS A 155 10.312 -12.261 6.573 1.00 31.27 C ATOM 1244 CE LYS A 155 9.349 -13.315 7.099 1.00 37.45 C ATOM 1245 NZ LYS A 155 8.932 -13.001 8.491 1.00 42.01 N ATOM 1246 HZ1 LYS A 155 9.771 -12.976 9.105 1.00 0.00 H ATOM 1247 HZ2 LYS A 155 8.459 -12.075 8.509 1.00 0.00 H ATOM 1248 HZ3 LYS A 155 8.275 -13.734 8.829 1.00 0.00 H ATOM 1249 H LYS A 155 11.862 -9.250 3.004 1.00 0.00 H ATOM 1250 N LEU A 156 9.312 -11.299 1.913 1.00 16.88 N ATOM 1251 CA LEU A 156 8.201 -11.827 1.187 1.00 17.68 C ATOM 1252 C LEU A 156 8.581 -12.217 -0.271 1.00 19.94 C ATOM 1253 O LEU A 156 8.156 -13.227 -0.786 1.00 20.02 O ATOM 1254 CB LEU A 156 7.064 -10.825 1.179 1.00 20.87 C ATOM 1255 CG LEU A 156 6.238 -10.660 2.407 1.00 26.45 C ATOM 1256 CD1 LEU A 156 5.092 -9.732 1.999 1.00 30.28 C ATOM 1257 CD2 LEU A 156 5.741 -12.025 2.824 1.00 29.30 C ATOM 1258 H LEU A 156 9.292 -10.307 2.223 1.00 0.00 H ATOM 1259 N PHE A 157 9.285 -11.260 -0.912 1.00 15.41 N ATOM 1260 CA PHE A 157 9.865 -11.555 -2.233 1.00 16.80 C ATOM 1261 C PHE A 157 10.630 -12.882 -2.233 1.00 15.77 C ATOM 1262 O PHE A 157 10.352 -13.708 -3.127 1.00 18.84 O ATOM 1263 CB PHE A 157 10.746 -10.371 -2.635 1.00 16.13 C ATOM 1264 CG PHE A 157 11.457 -10.567 -3.950 1.00 15.40 C ATOM 1265 CD1 PHE A 157 10.761 -10.522 -5.122 1.00 15.16 C ATOM 1266 CD2 PHE A 157 12.809 -10.809 -3.913 1.00 16.08 C ATOM 1267 CE1 PHE A 157 11.413 -10.692 -6.358 1.00 15.78 C ATOM 1268 CE2 PHE A 157 13.489 -10.941 -5.130 1.00 17.49 C ATOM 1269 CZ PHE A 157 12.774 -10.892 -6.297 1.00 14.91 C ATOM 1270 H PHE A 157 9.416 -10.324 -0.477 1.00 0.00 H ATOM 1271 N LEU A 158 11.551 -13.099 -1.317 1.00 17.19 N ATOM 1272 CA LEU A 158 12.368 -14.333 -1.301 1.00 18.19 C ATOM 1273 C LEU A 158 11.505 -15.565 -1.051 1.00 22.17 C ATOM 1274 O LEU A 158 11.707 -16.623 -1.698 1.00 21.85 O ATOM 1275 CB LEU A 158 13.588 -14.257 -0.395 1.00 20.67 C ATOM 1276 CG LEU A 158 14.632 -13.207 -0.753 1.00 21.93 C ATOM 1277 CD1 LEU A 158 15.639 -13.085 0.368 1.00 26.40 C ATOM 1278 CD2 LEU A 158 15.260 -13.514 -2.106 1.00 24.27 C ATOM 1279 H LEU A 158 11.709 -12.381 -0.582 1.00 0.00 H ATOM 1280 N GLN A 159 10.467 -15.446 -0.236 1.00 21.53 N ATOM 1281 CA GLN A 159 9.538 -16.564 -0.053 1.00 21.77 C ATOM 1282 C GLN A 159 8.793 -16.938 -1.320 1.00 22.22 C ATOM 1283 O GLN A 159 8.688 -18.140 -1.685 1.00 22.22 O ATOM 1284 CB GLN A 159 8.480 -16.203 0.983 1.00 25.88 C ATOM 1285 CG GLN A 159 8.910 -16.282 2.402 1.00 34.18 C ATOM 1286 CD GLN A 159 7.756 -15.906 3.321 1.00 38.10 C ATOM 1287 OE1 GLN A 159 6.550 -16.057 2.968 1.00 38.21 O ATOM 1288 NE2 GLN A 159 8.103 -15.393 4.488 1.00 41.42 N ATOM 1289 HE22 GLN A 159 9.109 -15.289 4.732 1.00 0.00 H ATOM 1290 HE21 GLN A 159 7.371 -15.093 5.163 1.00 0.00 H ATOM 1291 H GLN A 159 10.311 -14.554 0.276 1.00 0.00 H ATOM 1292 N LYS A 160 8.327 -15.940 -2.044 1.00 19.26 N ATOM 1293 CA LYS A 160 7.610 -16.141 -3.265 1.00 20.33 C ATOM 1294 C LYS A 160 8.543 -16.667 -4.369 1.00 21.54 C ATOM 1295 O LYS A 160 8.118 -17.524 -5.171 1.00 22.22 O ATOM 1296 CB LYS A 160 6.856 -14.887 -3.713 1.00 23.58 C ATOM 1297 CG LYS A 160 5.781 -14.428 -2.717 1.00 24.82 C ATOM 1298 CD LYS A 160 4.666 -15.465 -2.601 1.00 27.98 C ATOM 1299 CE LYS A 160 3.733 -15.181 -1.436 1.00 37.23 C ATOM 1300 NZ LYS A 160 2.646 -16.222 -1.473 1.00 36.50 N ATOM 1301 HZ1 LYS A 160 2.135 -16.156 -2.376 1.00 0.00 H ATOM 1302 HZ2 LYS A 160 3.070 -17.167 -1.381 1.00 0.00 H ATOM 1303 HZ3 LYS A 160 1.985 -16.059 -0.687 1.00 0.00 H ATOM 1304 H LYS A 160 8.487 -14.967 -1.714 1.00 0.00 H ATOM 1305 N ILE A 161 9.791 -16.195 -4.369 1.00 19.93 N ATOM 1306 CA ILE A 161 10.811 -16.646 -5.343 1.00 23.06 C ATOM 1307 C ILE A 161 11.086 -18.126 -5.192 1.00 21.53 C ATOM 1308 O ILE A 161 11.287 -18.823 -6.221 1.00 19.62 O ATOM 1309 CB ILE A 161 12.157 -15.827 -5.232 1.00 25.20 C ATOM 1310 CG1 ILE A 161 12.025 -14.433 -5.836 1.00 26.90 C ATOM 1311 CG2 ILE A 161 13.367 -16.575 -5.828 1.00 26.94 C ATOM 1312 CD1 ILE A 161 11.599 -14.392 -7.275 1.00 28.09 C ATOM 1313 H ILE A 161 10.057 -15.484 -3.658 1.00 0.00 H ATOM 1314 N ASN A 162 11.102 -18.612 -3.949 1.00 19.28 N ATOM 1315 CA ASN A 162 11.377 -19.998 -3.682 1.00 18.96 C ATOM 1316 C ASN A 162 10.307 -20.914 -4.285 1.00 20.00 C ATOM 1317 O ASN A 162 10.592 -22.069 -4.556 1.00 18.56 O ATOM 1318 CB ASN A 162 11.657 -20.277 -2.183 1.00 18.18 C ATOM 1319 CG ASN A 162 13.179 -20.176 -1.846 1.00 17.25 C ATOM 1320 OD1 ASN A 162 14.030 -20.397 -2.708 1.00 17.57 O ATOM 1321 ND2 ASN A 162 13.512 -19.794 -0.612 1.00 17.56 N ATOM 1322 HD22 ASN A 162 12.770 -19.615 0.095 1.00 0.00 H ATOM 1323 HD21 ASN A 162 14.513 -19.676 -0.357 1.00 0.00 H ATOM 1324 H ASN A 162 10.911 -17.971 -3.152 1.00 0.00 H ATOM 1325 N GLU A 163 9.124 -20.386 -4.579 1.00 20.80 N ATOM 1326 CA GLU A 163 8.046 -21.201 -5.166 1.00 23.00 C ATOM 1327 C GLU A 163 7.872 -20.906 -6.673 1.00 23.32 C ATOM 1328 O GLU A 163 6.871 -21.221 -7.287 1.00 22.42 O ATOM 1329 CB GLU A 163 6.753 -21.082 -4.337 1.00 29.90 C ATOM 1330 CG GLU A 163 6.829 -21.564 -2.855 1.00 32.39 C ATOM 1331 CD GLU A 163 7.542 -22.895 -2.513 1.00 40.42 C ATOM 1332 OE1 GLU A 163 7.380 -23.921 -3.228 1.00 42.19 O ATOM 1333 OE2 GLU A 163 8.234 -22.907 -1.444 1.00 45.78 O ATOM 1334 H GLU A 163 8.955 -19.377 -4.391 1.00 0.00 H ATOM 1335 N LEU A 164 8.894 -20.317 -7.280 1.00 21.28 N ATOM 1336 CA LEU A 164 8.873 -20.099 -8.705 1.00 23.04 C ATOM 1337 C LEU A 164 8.733 -21.465 -9.423 1.00 21.48 C ATOM 1338 O LEU A 164 9.315 -22.419 -9.025 1.00 23.55 O ATOM 1339 CB LEU A 164 10.168 -19.382 -9.140 1.00 25.83 C ATOM 1340 CG LEU A 164 10.210 -18.659 -10.491 1.00 28.37 C ATOM 1341 CD1 LEU A 164 9.490 -17.337 -10.502 1.00 28.91 C ATOM 1342 CD2 LEU A 164 11.664 -18.505 -10.951 1.00 29.89 C ATOM 1343 H LEU A 164 9.717 -20.010 -6.723 1.00 0.00 H ATOM 1344 N PRO A 165 7.936 -21.509 -10.456 1.00 22.79 N ATOM 1345 CA PRO A 165 7.829 -22.791 -11.219 1.00 21.47 C ATOM 1346 C PRO A 165 9.167 -23.268 -11.859 1.00 28.71 C ATOM 1347 O PRO A 165 10.050 -22.418 -12.158 1.00 30.23 O ATOM 1348 CB PRO A 165 6.735 -22.506 -12.214 1.00 26.37 C ATOM 1349 CG PRO A 165 6.348 -21.086 -12.085 1.00 25.48 C ATOM 1350 CD PRO A 165 6.979 -20.502 -10.893 1.00 22.25 C TER 1351 PRO A 165 HETATM 1352 O HOH 1 -3.886 2.022 5.285 1.00 35.81 O HETATM 1353 O HOH 2 16.179 16.046 -15.099 1.00 27.20 O HETATM 1354 O HOH 3 -0.211 -1.148 -1.513 1.00 29.48 O HETATM 1355 O HOH 4 12.498 7.653 -19.606 1.00 33.40 O HETATM 1356 O HOH 5 19.761 -12.635 -17.684 1.00 33.75 O HETATM 1357 O HOH 6 9.030 2.859 13.339 1.00 21.42 O HETATM 1358 O HOH 7 16.067 3.517 -2.603 1.00 13.39 O HETATM 1359 O HOH 8 2.574 5.140 -3.999 1.00 22.64 O HETATM 1360 O HOH 9 12.929 2.447 -5.492 1.00 13.94 O HETATM 1361 O HOH 10 15.044 0.205 -29.562 1.00 28.58 O HETATM 1362 O HOH 11 3.849 -18.921 -4.186 1.00 29.38 O HETATM 1363 O HOH 12 17.513 19.955 -13.390 1.00 26.33 O HETATM 1364 O HOH 13 5.959 -26.135 -3.612 1.00 29.93 O HETATM 1365 O HOH 14 1.901 14.637 -3.586 1.00 29.99 O HETATM 1366 O HOH 15 13.341 -18.285 -19.409 1.00 31.57 O HETATM 1367 O HOH 16 7.508 9.196 -9.552 1.00 24.60 O HETATM 1368 O HOH 17 16.495 -2.678 -19.187 1.00 32.02 O HETATM 1369 O HOH 18 17.659 2.270 -13.913 1.00 25.11 O HETATM 1370 O HOH 19 15.681 6.828 5.469 1.00 22.92 O HETATM 1371 O HOH 20 15.579 7.066 -13.647 1.00 16.72 O HETATM 1372 O HOH 21 18.057 -3.753 -12.588 1.00 30.77 O HETATM 1373 O HOH 22 9.520 3.918 -15.296 1.00 17.76 O HETATM 1374 O HOH 23 15.416 3.376 -6.745 1.00 14.38 O HETATM 1375 O HOH 24 15.114 -19.017 -14.885 1.00 28.77 O HETATM 1376 O HOH 25 11.348 12.960 2.910 1.00 22.65 O HETATM 1377 O HOH 26 16.586 15.084 -7.899 1.00 25.35 O HETATM 1378 O HOH 27 9.505 6.998 -2.777 1.00 20.65 O HETATM 1379 O HOH 28 19.738 17.653 -6.385 1.00 22.61 O HETATM 1380 O HOH 29 10.925 -5.319 8.824 1.00 22.81 O HETATM 1381 O HOH 30 -1.393 0.664 7.082 1.00 20.20 O HETATM 1382 O HOH 31 23.052 14.653 1.816 1.00 21.05 O HETATM 1383 O HOH 32 10.613 3.920 -5.332 1.00 13.00 O HETATM 1384 O HOH 33 13.089 4.061 -10.794 1.00 13.79 O HETATM 1385 O HOH 34 1.365 0.440 0.417 1.00 17.74 O HETATM 1386 O HOH 35 16.757 -9.029 -23.275 1.00 16.50 O HETATM 1387 O HOH 36 27.307 8.005 -6.839 1.00 28.98 O HETATM 1388 O HOH 37 14.544 1.417 -3.398 1.00 16.27 O HETATM 1389 O HOH 38 16.206 -18.894 -3.650 1.00 21.50 O HETATM 1390 O HOH 39 14.865 24.977 -13.737 1.00 33.45 O HETATM 1391 O HOH 40 18.842 13.824 -6.704 1.00 21.11 O HETATM 1392 O HOH 41 12.347 9.189 -12.591 1.00 17.64 O HETATM 1393 O HOH 42 11.178 10.621 -10.505 1.00 21.91 O HETATM 1394 O HOH 43 9.533 3.513 -21.895 1.00 24.58 O HETATM 1395 O HOH 44 7.687 -10.039 5.453 1.00 27.85 O HETATM 1396 O HOH 45 1.062 -8.596 0.869 1.00 30.84 O HETATM 1397 O HOH 46 3.027 0.823 -12.883 1.00 26.63 O HETATM 1398 O HOH 47 21.107 0.026 5.164 1.00 27.67 O HETATM 1399 O HOH 48 15.876 2.545 -18.882 1.00 30.30 O HETATM 1400 O HOH 49 20.265 15.497 -8.835 1.00 22.03 O HETATM 1401 O HOH 50 7.804 7.687 -0.672 1.00 17.06 O HETATM 1402 O HOH 51 8.641 8.504 -4.919 1.00 19.42 O HETATM 1403 O HOH 52 13.788 7.039 -11.543 1.00 13.94 O HETATM 1404 O HOH 53 8.178 -10.149 -19.951 1.00 21.95 O HETATM 1405 O HOH 54 13.315 4.924 -8.278 1.00 17.38 O HETATM 1406 O HOH 55 13.919 22.152 -13.391 1.00 30.43 O HETATM 1407 O HOH 56 15.919 -16.544 -15.964 1.00 19.88 O HETATM 1408 O HOH 57 11.971 -17.238 -17.435 1.00 22.20 O HETATM 1409 O HOH 58 13.213 6.033 6.879 1.00 18.64 O HETATM 1410 O HOH 59 7.208 -15.763 -26.131 1.00 32.65 O HETATM 1411 O HOH 60 3.358 7.156 -2.067 1.00 29.35 O HETATM 1412 O HOH 61 5.181 -18.991 -1.807 1.00 34.59 O HETATM 1413 O HOH 62 13.869 13.606 4.649 1.00 30.21 O HETATM 1414 O HOH 63 6.541 9.934 -4.142 1.00 25.41 O HETATM 1415 CBA EFM A 64 13.896 10.238 4.490 1.00 0.05 C HETATM 1416 OAK EFM A 64 12.769 10.281 3.621 1.00 -0.34 O HETATM 1417 CAB EFM A 64 12.654 9.221 2.691 1.00 0.09 C HETATM 1418 CAA EFM A 64 13.689 8.280 2.447 1.00 -0.03 C HETATM 1419 CAF EFM A 64 13.410 7.296 1.490 1.00 0.08 C HETATM 1420 NAJ EFM A 64 14.394 6.315 1.156 1.00 -0.24 N HETATM 1421 CAI EFM A 64 14.230 5.632 -0.033 1.00 0.24 C HETATM 1422 OAZ EFM A 64 15.070 4.785 -0.286 1.00 -0.34 O HETATM 1423 CAH EFM A 64 13.058 5.872 -0.836 1.00 0.16 C HETATM 1424 CAX EFM A 64 13.345 6.977 -1.800 1.00 -0.03 C HETATM 1425 H6 EFM A 64 12.454 7.166 -2.417 1.00 0.02 H HETATM 1426 H7 EFM A 64 14.186 6.689 -2.448 1.00 0.02 H HETATM 1427 H8 EFM A 64 13.607 7.890 -1.244 1.00 0.02 H HETATM 1428 CAY EFM A 64 12.618 4.614 -1.557 1.00 -0.03 C HETATM 1429 H9 EFM A 64 12.415 3.822 -0.821 1.00 0.02 H HETATM 1430 H10 EFM A 64 13.415 4.285 -2.240 1.00 0.02 H HETATM 1431 H11 EFM A 64 11.704 4.822 -2.133 1.00 0.02 H HETATM 1432 OAG EFM A 64 11.944 6.269 -0.031 1.00 -0.32 O HETATM 1433 CAE EFM A 64 12.208 7.305 0.852 1.00 0.09 C HETATM 1434 CAD EFM A 64 11.243 8.221 1.072 1.00 -0.03 C HETATM 1435 CAC EFM A 64 11.457 9.231 2.002 1.00 0.07 C HETATM 1436 NAL EFM A 64 10.603 10.237 2.309 1.00 -0.20 N HETATM 1437 SAM EFM A 64 9.039 9.869 2.813 1.00 0.08 S HETATM 1438 OAN EFM A 64 8.406 8.922 1.895 1.00 -0.15 O HETATM 1439 OAO EFM A 64 8.320 11.138 3.047 1.00 -0.15 O HETATM 1440 CAP EFM A 64 9.310 9.021 4.310 1.00 0.14 C HETATM 1441 CAU EFM A 64 8.983 7.658 4.393 1.00 -0.03 C HETATM 1442 CAT EFM A 64 9.123 7.001 5.547 1.00 0.00 C HETATM 1443 BR EFM A 64 8.648 5.195 5.687 1.00 -0.06 BR HETATM 1444 CAS EFM A 64 9.663 7.618 6.685 1.00 -0.06 C HETATM 1445 CAR EFM A 64 10.033 8.952 6.645 1.00 -0.03 C HETATM 1446 CAQ EFM A 64 9.889 9.636 5.433 1.00 0.12 C HETATM 1447 OAV EFM A 64 10.143 10.943 5.224 1.00 -0.32 O HETATM 1448 CBB EFM A 64 10.664 11.681 6.373 1.00 0.06 C HETATM 1449 H17 EFM A 64 10.833 12.730 6.089 1.00 0.06 H HETATM 1450 H18 EFM A 64 11.614 11.231 6.698 1.00 0.06 H HETATM 1451 H19 EFM A 64 9.937 11.637 7.197 1.00 0.06 H HETATM 1452 H16 EFM A 64 10.422 9.451 7.525 1.00 0.06 H HETATM 1453 H15 EFM A 64 9.791 7.049 7.599 1.00 0.06 H HETATM 1454 H14 EFM A 64 8.615 7.137 3.517 1.00 0.06 H HETATM 1455 H13 EFM A 64 10.899 11.190 2.237 1.00 0.21 H HETATM 1456 H12 EFM A 64 10.307 8.170 0.527 1.00 0.03 H HETATM 1457 H5 EFM A 64 15.170 6.130 1.759 1.00 0.22 H HETATM 1458 H4 EFM A 64 14.638 8.321 2.970 1.00 0.04 H HETATM 1459 H1 EFM A 64 13.875 11.109 5.161 1.00 0.06 H HETATM 1460 H2 EFM A 64 14.820 10.257 3.893 1.00 0.06 H HETATM 1461 H3 EFM A 64 13.864 9.314 5.087 1.00 0.06 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1415 1416 1459 1460 1461 CONECT 1416 1415 1417 CONECT 1417 1416 1418 1435 CONECT 1418 1417 1419 1458 CONECT 1419 1418 1420 1433 CONECT 1420 1419 1421 1457 CONECT 1421 1420 1422 1423 CONECT 1422 1421 CONECT 1423 1421 1424 1428 1432 CONECT 1424 1423 1425 1426 1427 CONECT 1425 1424 CONECT 1426 1424 CONECT 1427 1424 CONECT 1428 1423 1429 1430 1431 CONECT 1429 1428 CONECT 1430 1428 CONECT 1431 1428 CONECT 1432 1423 1433 CONECT 1433 1419 1432 1434 CONECT 1434 1433 1435 1456 CONECT 1435 1417 1434 1436 CONECT 1436 1435 1437 1455 CONECT 1437 1436 1438 1439 1440 CONECT 1438 1437 CONECT 1439 1437 CONECT 1440 1437 1441 1446 CONECT 1441 1440 1442 1454 CONECT 1442 1441 1443 1444 CONECT 1443 1442 CONECT 1444 1442 1445 1453 CONECT 1445 1444 1446 1452 CONECT 1446 1440 1445 1447 CONECT 1447 1446 1448 CONECT 1448 1447 1449 1450 1451 CONECT 1449 1448 CONECT 1450 1448 CONECT 1451 1448 CONECT 1452 1445 CONECT 1453 1444 CONECT 1454 1441 CONECT 1455 1436 CONECT 1456 1434 CONECT 1457 1420 CONECT 1458 1418 CONECT 1459 1415 CONECT 1460 1415 CONECT 1461 1415 MASTER 0 0 0 0 0 0 0 0 1460 1 51 11 END
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Related entries of code: 5z1s
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Protein Sequence Similarity
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PDBbind
139aa, >5WUU_1|Chain... at 94%
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RCSB PDB
PDBbind
139aa, >5Y8C_1|Chain... at 92%
5y8w
RCSB PDB
PDBbind
141aa, >5Y8W_1|Chain... at 92%
5y8y
RCSB PDB
PDBbind
141aa, >5Y8Y_1|Chain... at 92%
5y8z
RCSB PDB
PDBbind
141aa, >5Y8Z_1|Chain... at 92%
5y93
RCSB PDB
PDBbind
141aa, >5Y93_1|Chain... at 92%
5y94
RCSB PDB
PDBbind
141aa, >5Y94_1|Chain... at 92%
5z1t
RCSB PDB
PDBbind
141aa, >5Z1T_1|Chain... at 92%
5z1r
RCSB PDB
PDBbind
141aa, >5Z1R_1|Chain... at 92%
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PDBbind
140aa, >5YQX_1|Chain... at 92%
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PDBbind
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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
5z1s
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 4
Ligand Name
EFM
EC.Number
E.C.-.-.-.-
Resolution
1.42(Å)
Affinity (Kd/Ki/IC50)
IC50=0.69uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Acs Med.Chem.Lett. Vol. 9: pp. 262-267
Ligand Properties
Formula
C
1
8
H
1
9
BrN
2
O
6
S
Molecular Weight
471.322
Exact Mass
470.015
No. of atoms
47
No. of bonds
49
Polar Surface Area
111.34
LOGP Value
2.62 (
Computed with XLOGP3
)
4.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
Canonical SMILES
COc1cc2NC(=O)C(Oc2cc1NS(=O)(=O)c1cc(Br)ccc1OC)(C)C
InChI String
InChI=1S/C18H19BrN2O6S/c1-18(2)17(22)20-11-8-14(26-4)12(9-15(11)27-18)21-28(23,24)16-7-10(19)5-6-13(16)25-3/h5-9,21H,1-4H3,(H,20,22)
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):
O60885
Entrez Gene ID
NCBI Entrez Gene ID:
23476
ASD
Information of known allosteric effects of PDB entries
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