Browse entries in the PDBbind-CN Database
HEADER 4ERE_COMPLEX COMPND 4ERE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 46 SER GLU GLN GLU THR LEU VAL ARG PRO LYS PRO LEU LEU SEQRES 2 A 46 LEU LYS LEU LEU LYS SER VAL GLY ALA GLN LYS ASP THR SEQRES 3 A 46 TYR THR MET LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR SEQRES 4 A 46 ILE MET THR LYS ARG LEU TYR SEQRES 1 A 39 HIS ILE VAL TYR CYS SER ASN ASP LEU LEU GLY ASP LEU SEQRES 2 A 39 PHE GLY VAL PRO SER PHE SER VAL LYS GLU HIS ARG LYS SEQRES 3 A 39 ILE TYR THR MET ILE TYR ARG ASN LEU VAL VAL VAL ASN HET UNN A 179 65 ATOM 1 N SER A 22 22.361 28.858 31.013 1.00 24.42 N ATOM 2 CA SER A 22 21.877 28.983 32.414 1.00 24.21 C ATOM 3 C SER A 22 20.490 28.343 32.605 1.00 23.82 C ATOM 4 O SER A 22 20.343 27.402 33.371 1.00 23.97 O ATOM 5 CB SER A 22 21.795 30.450 32.789 1.00 24.83 C ATOM 6 OG SER A 22 20.572 31.073 32.400 1.00 25.42 O ATOM 7 HA SER A 22 22.585 28.457 33.055 1.00 0.00 H ATOM 8 HB2 SER A 22 22.618 30.976 32.306 1.00 0.00 H ATOM 9 HB3 SER A 22 21.896 30.535 33.871 1.00 0.00 H ATOM 10 HG SER A 22 20.471 31.013 31.417 1.00 0.00 H ATOM 11 HN3 SER A 22 21.693 29.333 30.373 1.00 0.00 H ATOM 12 HN2 SER A 22 22.430 27.852 30.760 1.00 0.00 H ATOM 13 HN1 SER A 22 23.298 29.302 30.930 1.00 0.00 H ATOM 14 N GLU A 23 19.485 28.859 31.898 1.00 22.85 N ATOM 15 CA GLU A 23 18.123 28.352 31.980 1.00 21.76 C ATOM 16 C GLU A 23 17.917 27.027 31.268 1.00 21.02 C ATOM 17 O GLU A 23 17.097 26.225 31.695 1.00 20.73 O ATOM 18 CB GLU A 23 17.149 29.412 31.417 1.00 21.66 C ATOM 19 CG GLU A 23 15.720 29.016 31.430 1.00 21.31 C ATOM 20 CD GLU A 23 14.826 30.142 30.973 1.00 21.26 C ATOM 21 OE1 GLU A 23 15.327 31.084 30.320 1.00 21.00 O ATOM 22 OE2 GLU A 23 13.613 30.104 31.256 1.00 20.77 O ATOM 23 HA GLU A 23 17.922 28.161 33.034 1.00 0.00 H ATOM 24 HB2 GLU A 23 17.255 30.319 32.012 1.00 0.00 H ATOM 25 HB3 GLU A 23 17.434 29.620 30.386 1.00 0.00 H ATOM 26 HG2 GLU A 23 15.583 28.163 30.765 1.00 0.00 H ATOM 27 HG3 GLU A 23 15.441 28.732 32.445 1.00 0.00 H ATOM 28 H GLU A 23 19.682 29.657 31.261 1.00 0.00 H ATOM 29 N GLN A 24 18.624 26.811 30.164 1.00 20.57 N ATOM 30 CA GLN A 24 18.415 25.562 29.447 1.00 20.04 C ATOM 31 C GLN A 24 19.090 24.371 30.081 1.00 19.78 C ATOM 32 O GLN A 24 18.779 23.235 29.766 1.00 19.56 O ATOM 33 CB GLN A 24 18.865 25.687 27.990 1.00 20.13 C ATOM 34 CG GLN A 24 17.918 26.473 27.105 1.00 20.29 C ATOM 35 CD GLN A 24 18.372 26.581 25.660 1.00 20.35 C ATOM 36 OE1 GLN A 24 19.125 25.738 25.159 1.00 20.75 O ATOM 37 NE2 GLN A 24 17.882 27.623 24.966 1.00 20.48 N ATOM 38 HA GLN A 24 17.341 25.379 29.495 1.00 0.00 H ATOM 39 HB2 GLN A 24 19.836 26.182 27.975 1.00 0.00 H ATOM 40 HB3 GLN A 24 18.964 24.683 27.577 1.00 0.00 H ATOM 41 HG2 GLN A 24 16.945 25.983 27.123 1.00 0.00 H ATOM 42 HG3 GLN A 24 17.824 27.480 27.512 1.00 0.00 H ATOM 43 HE22 GLN A 24 17.251 28.307 25.431 1.00 0.00 H ATOM 44 HE21 GLN A 24 18.134 27.745 23.964 1.00 0.00 H ATOM 45 H GLN A 24 19.308 27.515 29.822 1.00 0.00 H ATOM 46 N GLU A 25 20.026 24.669 30.971 1.00 19.84 N ATOM 47 CA GLU A 25 20.799 23.668 31.685 1.00 19.98 C ATOM 48 C GLU A 25 20.009 23.128 32.862 1.00 19.12 C ATOM 49 O GLU A 25 20.277 22.050 33.317 1.00 18.69 O ATOM 50 CB GLU A 25 22.068 24.291 32.251 1.00 21.24 C ATOM 51 CG GLU A 25 23.303 24.244 31.375 1.00 23.45 C ATOM 52 CD GLU A 25 24.523 24.890 32.037 1.00 24.61 C ATOM 53 OE1 GLU A 25 24.408 25.300 33.208 1.00 25.09 O ATOM 54 OE2 GLU A 25 25.592 24.987 31.392 1.00 25.42 O ATOM 55 HA GLU A 25 21.035 22.871 30.980 1.00 0.00 H ATOM 56 HB2 GLU A 25 21.854 25.338 32.464 1.00 0.00 H ATOM 57 HB3 GLU A 25 22.303 23.773 33.181 1.00 0.00 H ATOM 58 HG2 GLU A 25 23.536 23.202 31.156 1.00 0.00 H ATOM 59 HG3 GLU A 25 23.091 24.771 30.445 1.00 0.00 H ATOM 60 H GLU A 25 20.217 25.672 31.168 1.00 0.00 H ATOM 61 N THR A 26 19.046 23.902 33.355 1.00 18.19 N ATOM 62 CA THR A 26 18.267 23.469 34.500 1.00 17.32 C ATOM 63 C THR A 26 17.699 22.067 34.337 1.00 16.91 C ATOM 64 O THR A 26 17.256 21.684 33.259 1.00 16.54 O ATOM 65 CB THR A 26 17.118 24.470 34.819 1.00 17.50 C ATOM 66 OG1 THR A 26 17.685 25.754 35.131 1.00 17.31 O ATOM 67 CG2 THR A 26 16.303 23.974 35.980 1.00 16.93 C ATOM 68 HA THR A 26 18.963 23.445 35.338 1.00 0.00 H ATOM 69 HB THR A 26 16.465 24.559 33.951 1.00 0.00 H ATOM 70 HG1 THR A 26 16.958 26.394 35.335 1.00 0.00 H ATOM 71 HG23 THR A 26 15.878 23.001 35.734 1.00 0.00 H ATOM 72 HG21 THR A 26 16.942 23.881 36.858 1.00 0.00 H ATOM 73 HG22 THR A 26 15.500 24.681 36.187 1.00 0.00 H ATOM 74 H THR A 26 18.850 24.824 32.916 1.00 0.00 H ATOM 75 N LEU A 27 17.722 21.315 35.435 1.00 16.66 N ATOM 76 CA LEU A 27 17.202 19.952 35.468 1.00 16.40 C ATOM 77 C LEU A 27 15.794 19.930 36.054 1.00 16.10 C ATOM 78 O LEU A 27 15.588 20.382 37.174 1.00 15.99 O ATOM 79 CB LEU A 27 18.118 19.068 36.304 1.00 17.00 C ATOM 80 CG LEU A 27 19.223 18.393 35.495 1.00 17.37 C ATOM 81 CD1 LEU A 27 20.381 17.987 36.406 1.00 17.81 C ATOM 82 CD2 LEU A 27 18.638 17.187 34.762 1.00 17.45 C ATOM 83 HA LEU A 27 17.163 19.572 34.447 1.00 0.00 H ATOM 84 HB2 LEU A 27 18.582 19.684 37.075 1.00 0.00 H ATOM 85 HB3 LEU A 27 17.513 18.293 36.775 1.00 0.00 H ATOM 86 HG LEU A 27 19.621 19.091 34.759 1.00 0.00 H ATOM 87 HD21 LEU A 27 18.232 16.483 35.489 1.00 0.00 H ATOM 88 HD22 LEU A 27 17.844 17.520 34.094 1.00 0.00 H ATOM 89 HD23 LEU A 27 19.422 16.700 34.182 1.00 0.00 H ATOM 90 HD11 LEU A 27 20.788 18.874 36.891 1.00 0.00 H ATOM 91 HD12 LEU A 27 20.019 17.291 37.163 1.00 0.00 H ATOM 92 HD13 LEU A 27 21.159 17.508 35.811 1.00 0.00 H ATOM 93 H LEU A 27 18.127 21.715 36.305 1.00 0.00 H ATOM 94 N VAL A 28 14.858 19.352 35.304 1.00 15.68 N ATOM 95 CA VAL A 28 13.458 19.285 35.702 1.00 15.20 C ATOM 96 C VAL A 28 12.860 17.876 35.766 1.00 15.09 C ATOM 97 O VAL A 28 13.393 16.943 35.182 1.00 15.00 O ATOM 98 CB VAL A 28 12.607 20.079 34.716 1.00 15.21 C ATOM 99 CG1 VAL A 28 13.019 21.538 34.726 1.00 14.53 C ATOM 100 CG2 VAL A 28 12.775 19.482 33.315 1.00 15.00 C ATOM 101 HA VAL A 28 13.443 19.692 36.713 1.00 0.00 H ATOM 102 HB VAL A 28 11.558 20.021 35.008 1.00 0.00 H ATOM 103 HG11 VAL A 28 12.881 21.946 35.727 1.00 0.00 H ATOM 104 HG12 VAL A 28 14.068 21.620 34.440 1.00 0.00 H ATOM 105 HG13 VAL A 28 12.404 22.093 34.018 1.00 0.00 H ATOM 106 HG21 VAL A 28 13.823 19.536 33.022 1.00 0.00 H ATOM 107 HG22 VAL A 28 12.452 18.441 33.324 1.00 0.00 H ATOM 108 HG23 VAL A 28 12.169 20.046 32.606 1.00 0.00 H ATOM 109 H VAL A 28 15.138 18.930 34.395 1.00 0.00 H ATOM 110 N ARG A 29 11.740 17.751 36.481 1.00 15.14 N ATOM 111 CA ARG A 29 11.014 16.478 36.605 1.00 15.46 C ATOM 112 C ARG A 29 9.564 16.703 36.106 1.00 15.27 C ATOM 113 O ARG A 29 8.684 17.129 36.858 1.00 14.95 O ATOM 114 CB ARG A 29 11.009 15.993 38.061 1.00 15.87 C ATOM 115 CG ARG A 29 10.527 14.566 38.207 1.00 17.51 C ATOM 116 CD ARG A 29 10.768 14.011 39.616 1.00 18.92 C ATOM 117 NE ARG A 29 12.131 13.556 39.920 1.00 20.70 N ATOM 118 CZ ARG A 29 12.971 14.213 40.699 1.00 21.17 C ATOM 119 NH1 ARG A 29 12.590 15.347 41.233 1.00 22.11 N ATOM 120 NH2 ARG A 29 14.163 13.720 40.970 1.00 22.32 N ATOM 121 HA ARG A 29 11.505 15.711 36.006 1.00 0.00 H ATOM 122 HB2 ARG A 29 12.024 16.059 38.453 1.00 0.00 H ATOM 123 HB3 ARG A 29 10.354 16.642 38.642 1.00 0.00 H ATOM 124 HG2 ARG A 29 9.458 14.533 37.995 1.00 0.00 H ATOM 125 HG3 ARG A 29 11.058 13.941 37.488 1.00 0.00 H ATOM 126 HD2 ARG A 29 10.097 13.164 39.757 1.00 0.00 H ATOM 127 HD3 ARG A 29 10.515 14.796 40.329 1.00 0.00 H ATOM 128 HE ARG A 29 12.454 12.663 39.496 1.00 0.00 H ATOM 129 HH12 ARG A 29 13.240 15.876 41.849 1.00 0.00 H ATOM 130 HH11 ARG A 29 11.638 15.718 41.041 1.00 0.00 H ATOM 131 HH22 ARG A 29 14.816 14.247 41.585 1.00 0.00 H ATOM 132 HH21 ARG A 29 14.451 12.805 40.569 1.00 0.00 H ATOM 133 H ARG A 29 11.365 18.588 36.971 1.00 0.00 H ATOM 134 N PRO A 30 9.302 16.408 34.821 1.00 15.01 N ATOM 135 CA PRO A 30 7.962 16.596 34.251 1.00 15.02 C ATOM 136 C PRO A 30 6.821 15.919 35.000 1.00 15.11 C ATOM 137 O PRO A 30 6.990 14.849 35.551 1.00 14.45 O ATOM 138 CB PRO A 30 8.086 16.007 32.843 1.00 14.98 C ATOM 139 CG PRO A 30 9.537 16.093 32.536 1.00 15.05 C ATOM 140 CD PRO A 30 10.192 15.753 33.848 1.00 15.23 C ATOM 141 HA PRO A 30 7.692 17.651 34.295 1.00 0.00 H ATOM 142 HD3 PRO A 30 10.225 14.675 34.006 1.00 0.00 H ATOM 143 HD2 PRO A 30 11.203 16.158 33.902 1.00 0.00 H ATOM 144 HG3 PRO A 30 9.809 17.098 32.213 1.00 0.00 H ATOM 145 HG2 PRO A 30 9.816 15.376 31.763 1.00 0.00 H ATOM 146 HB2 PRO A 30 7.748 14.971 32.826 1.00 0.00 H ATOM 147 HB3 PRO A 30 7.504 16.589 32.128 1.00 0.00 H ATOM 148 N LYS A 31 5.661 16.568 34.980 1.00 15.09 N ATOM 149 CA LYS A 31 4.467 16.011 35.586 1.00 15.47 C ATOM 150 C LYS A 31 3.908 15.036 34.536 1.00 15.80 C ATOM 151 O LYS A 31 4.226 15.145 33.352 1.00 15.08 O ATOM 152 CB LYS A 31 3.473 17.133 35.935 1.00 15.60 C ATOM 153 CG LYS A 31 4.022 18.096 36.995 1.00 16.71 C ATOM 154 CD LYS A 31 3.011 19.171 37.387 1.00 17.80 C ATOM 155 CE LYS A 31 3.572 20.097 38.459 1.00 18.46 C ATOM 156 NZ LYS A 31 2.643 21.196 38.835 1.00 19.65 N ATOM 157 HA LYS A 31 4.667 15.496 36.526 1.00 0.00 H ATOM 158 HB2 LYS A 31 3.252 17.698 35.030 1.00 0.00 H ATOM 159 HB3 LYS A 31 2.556 16.682 36.314 1.00 0.00 H ATOM 160 HG2 LYS A 31 4.287 17.524 37.884 1.00 0.00 H ATOM 161 HG3 LYS A 31 4.913 18.582 36.598 1.00 0.00 H ATOM 162 HD2 LYS A 31 2.759 19.760 36.505 1.00 0.00 H ATOM 163 HD3 LYS A 31 2.111 18.689 37.769 1.00 0.00 H ATOM 164 HE2 LYS A 31 4.496 20.538 38.086 1.00 0.00 H ATOM 165 HE3 LYS A 31 3.786 19.506 39.349 1.00 0.00 H ATOM 166 HZ1 LYS A 31 2.437 21.776 37.997 1.00 0.00 H ATOM 167 HZ2 LYS A 31 1.759 20.790 39.203 1.00 0.00 H ATOM 168 HZ3 LYS A 31 3.086 21.787 39.567 1.00 0.00 H ATOM 169 H LYS A 31 5.608 17.498 34.518 1.00 0.00 H ATOM 170 N PRO A 32 3.064 14.082 34.961 1.00 15.96 N ATOM 171 CA PRO A 32 2.464 13.074 34.068 1.00 16.39 C ATOM 172 C PRO A 32 2.088 13.503 32.638 1.00 16.54 C ATOM 173 O PRO A 32 2.560 12.893 31.631 1.00 16.51 O ATOM 174 CB PRO A 32 1.256 12.620 34.849 1.00 16.32 C ATOM 175 CG PRO A 32 1.828 12.608 36.292 1.00 16.24 C ATOM 176 CD PRO A 32 2.555 13.948 36.343 1.00 16.39 C ATOM 177 HA PRO A 32 3.204 12.307 33.842 1.00 0.00 H ATOM 178 HD3 PRO A 32 1.871 14.759 36.593 1.00 0.00 H ATOM 179 HD2 PRO A 32 3.372 13.927 37.065 1.00 0.00 H ATOM 180 HG3 PRO A 32 2.516 11.776 36.441 1.00 0.00 H ATOM 181 HG2 PRO A 32 1.032 12.558 37.035 1.00 0.00 H ATOM 182 HB2 PRO A 32 0.428 13.322 34.751 1.00 0.00 H ATOM 183 HB3 PRO A 32 0.928 11.628 34.539 1.00 0.00 H ATOM 184 N LEU A 33 1.251 14.534 32.539 1.00 16.78 N ATOM 185 CA LEU A 33 0.779 15.049 31.266 1.00 17.33 C ATOM 186 C LEU A 33 1.946 15.445 30.318 1.00 17.23 C ATOM 187 O LEU A 33 1.846 15.317 29.067 1.00 17.54 O ATOM 188 CB LEU A 33 -0.224 16.200 31.575 1.00 18.14 C ATOM 189 CG LEU A 33 -1.387 16.416 30.600 1.00 19.13 C ATOM 190 CD1 LEU A 33 -2.431 15.322 30.790 1.00 19.47 C ATOM 191 CD2 LEU A 33 -2.022 17.792 30.824 1.00 19.66 C ATOM 192 HA LEU A 33 0.257 14.276 30.703 1.00 0.00 H ATOM 193 HB2 LEU A 33 -0.655 16.001 32.556 1.00 0.00 H ATOM 194 HB3 LEU A 33 0.347 17.128 31.611 1.00 0.00 H ATOM 195 HG LEU A 33 -1.004 16.372 29.581 1.00 0.00 H ATOM 196 HD21 LEU A 33 -2.397 17.856 31.845 1.00 0.00 H ATOM 197 HD22 LEU A 33 -1.273 18.567 30.662 1.00 0.00 H ATOM 198 HD23 LEU A 33 -2.846 17.929 30.124 1.00 0.00 H ATOM 199 HD11 LEU A 33 -1.976 14.350 30.599 1.00 0.00 H ATOM 200 HD12 LEU A 33 -2.807 15.354 31.813 1.00 0.00 H ATOM 201 HD13 LEU A 33 -3.254 15.482 30.094 1.00 0.00 H ATOM 202 H LEU A 33 0.920 14.991 33.413 1.00 0.00 H ATOM 203 N LEU A 34 3.044 15.907 30.910 1.00 17.09 N ATOM 204 CA LEU A 34 4.206 16.289 30.123 1.00 17.09 C ATOM 205 C LEU A 34 5.050 15.059 29.765 1.00 16.99 C ATOM 206 O LEU A 34 5.597 14.966 28.706 1.00 16.70 O ATOM 207 CB LEU A 34 5.065 17.291 30.882 1.00 16.97 C ATOM 208 CG LEU A 34 6.288 17.812 30.124 1.00 16.83 C ATOM 209 CD1 LEU A 34 5.902 18.380 28.749 1.00 17.11 C ATOM 210 CD2 LEU A 34 6.931 18.877 30.976 1.00 16.92 C ATOM 211 HA LEU A 34 3.846 16.752 29.204 1.00 0.00 H ATOM 212 HB2 LEU A 34 4.439 18.145 31.139 1.00 0.00 H ATOM 213 HB3 LEU A 34 5.415 16.811 31.796 1.00 0.00 H ATOM 214 HG LEU A 34 6.983 16.993 29.939 1.00 0.00 H ATOM 215 HD21 LEU A 34 6.217 19.683 31.148 1.00 0.00 H ATOM 216 HD22 LEU A 34 7.230 18.445 31.931 1.00 0.00 H ATOM 217 HD23 LEU A 34 7.809 19.270 30.463 1.00 0.00 H ATOM 218 HD11 LEU A 34 5.434 17.597 28.152 1.00 0.00 H ATOM 219 HD12 LEU A 34 5.202 19.205 28.882 1.00 0.00 H ATOM 220 HD13 LEU A 34 6.797 18.740 28.242 1.00 0.00 H ATOM 221 H LEU A 34 3.072 15.996 31.946 1.00 0.00 H ATOM 222 N LEU A 35 5.155 14.130 30.703 1.00 17.33 N ATOM 223 CA LEU A 35 5.915 12.900 30.476 1.00 17.64 C ATOM 224 C LEU A 35 5.308 12.100 29.352 1.00 18.11 C ATOM 225 O LEU A 35 6.011 11.441 28.565 1.00 17.96 O ATOM 226 CB LEU A 35 5.929 12.006 31.720 1.00 18.48 C ATOM 227 CG LEU A 35 7.315 11.857 32.358 1.00 19.26 C ATOM 228 CD1 LEU A 35 7.397 10.522 33.118 1.00 19.43 C ATOM 229 CD2 LEU A 35 8.400 11.947 31.279 1.00 19.66 C ATOM 230 HA LEU A 35 6.932 13.205 30.229 1.00 0.00 H ATOM 231 HB2 LEU A 35 5.254 12.436 32.460 1.00 0.00 H ATOM 232 HB3 LEU A 35 5.573 11.016 31.436 1.00 0.00 H ATOM 233 HG LEU A 35 7.478 12.666 33.070 1.00 0.00 H ATOM 234 HD21 LEU A 35 8.252 11.151 30.550 1.00 0.00 H ATOM 235 HD22 LEU A 35 8.336 12.914 30.781 1.00 0.00 H ATOM 236 HD23 LEU A 35 9.381 11.840 31.742 1.00 0.00 H ATOM 237 HD11 LEU A 35 6.636 10.502 33.898 1.00 0.00 H ATOM 238 HD12 LEU A 35 7.229 9.699 32.423 1.00 0.00 H ATOM 239 HD13 LEU A 35 8.384 10.422 33.569 1.00 0.00 H ATOM 240 H LEU A 35 4.688 14.278 31.620 1.00 0.00 H ATOM 241 N LYS A 36 3.983 12.115 29.313 1.00 17.81 N ATOM 242 CA LYS A 36 3.274 11.381 28.279 1.00 17.86 C ATOM 243 C LYS A 36 3.664 11.967 26.926 1.00 17.59 C ATOM 244 O LYS A 36 3.927 11.256 25.989 1.00 17.36 O ATOM 245 CB LYS A 36 1.762 11.481 28.481 1.00 18.44 C ATOM 246 CG LYS A 36 0.926 10.806 27.368 1.00 19.32 C ATOM 247 CD LYS A 36 -0.570 10.878 27.670 1.00 20.55 C ATOM 248 CE LYS A 36 -1.418 10.072 26.680 1.00 21.20 C ATOM 249 NZ LYS A 36 -1.161 8.600 26.664 1.00 22.19 N ATOM 250 HA LYS A 36 3.545 10.326 28.327 1.00 0.00 H ATOM 251 HB2 LYS A 36 1.512 11.008 29.431 1.00 0.00 H ATOM 252 HB3 LYS A 36 1.491 12.536 28.520 1.00 0.00 H ATOM 253 HG2 LYS A 36 1.121 11.311 26.422 1.00 0.00 H ATOM 254 HG3 LYS A 36 1.222 9.760 27.288 1.00 0.00 H ATOM 255 HD2 LYS A 36 -0.742 10.488 28.673 1.00 0.00 H ATOM 256 HD3 LYS A 36 -0.884 11.921 27.628 1.00 0.00 H ATOM 257 HE2 LYS A 36 -1.224 10.458 25.679 1.00 0.00 H ATOM 258 HE3 LYS A 36 -2.467 10.228 26.931 1.00 0.00 H ATOM 259 HZ1 LYS A 36 -0.167 8.426 26.411 1.00 0.00 H ATOM 260 HZ2 LYS A 36 -1.354 8.205 27.607 1.00 0.00 H ATOM 261 HZ3 LYS A 36 -1.783 8.148 25.964 1.00 0.00 H ATOM 262 H LYS A 36 3.449 12.654 30.025 1.00 0.00 H ATOM 263 N LEU A 37 3.740 13.287 26.855 1.00 17.14 N ATOM 264 CA LEU A 37 4.087 13.945 25.615 1.00 17.11 C ATOM 265 C LEU A 37 5.520 13.649 25.179 1.00 17.04 C ATOM 266 O LEU A 37 5.771 13.395 24.029 1.00 17.02 O ATOM 267 CB LEU A 37 3.842 15.455 25.770 1.00 17.21 C ATOM 268 CG LEU A 37 4.102 16.176 24.456 1.00 17.53 C ATOM 269 CD1 LEU A 37 3.169 17.397 24.308 1.00 18.00 C ATOM 270 CD2 LEU A 37 5.585 16.579 24.399 1.00 17.97 C ATOM 271 HA LEU A 37 3.451 13.552 24.822 1.00 0.00 H ATOM 272 HB2 LEU A 37 2.808 15.622 26.072 1.00 0.00 H ATOM 273 HB3 LEU A 37 4.511 15.850 26.535 1.00 0.00 H ATOM 274 HG LEU A 37 3.885 15.513 23.619 1.00 0.00 H ATOM 275 HD21 LEU A 37 5.813 17.239 25.236 1.00 0.00 H ATOM 276 HD22 LEU A 37 6.206 15.685 24.460 1.00 0.00 H ATOM 277 HD23 LEU A 37 5.784 17.097 23.461 1.00 0.00 H ATOM 278 HD11 LEU A 37 2.131 17.064 24.328 1.00 0.00 H ATOM 279 HD12 LEU A 37 3.346 18.090 25.131 1.00 0.00 H ATOM 280 HD13 LEU A 37 3.374 17.896 23.361 1.00 0.00 H ATOM 281 H LEU A 37 3.548 13.858 27.702 1.00 0.00 H ATOM 282 N LEU A 38 6.454 13.757 26.118 1.00 16.92 N ATOM 283 CA LEU A 38 7.846 13.482 25.820 1.00 17.23 C ATOM 284 C LEU A 38 8.011 12.020 25.405 1.00 17.74 C ATOM 285 O LEU A 38 8.740 11.710 24.494 1.00 17.20 O ATOM 286 CB LEU A 38 8.727 13.761 27.042 1.00 17.38 C ATOM 287 CG LEU A 38 8.685 15.183 27.600 1.00 17.66 C ATOM 288 CD1 LEU A 38 9.260 15.175 29.016 1.00 17.79 C ATOM 289 CD2 LEU A 38 9.458 16.137 26.693 1.00 17.83 C ATOM 290 HA LEU A 38 8.155 14.134 25.003 1.00 0.00 H ATOM 291 HB2 LEU A 38 8.416 13.083 27.837 1.00 0.00 H ATOM 292 HB3 LEU A 38 9.758 13.544 26.764 1.00 0.00 H ATOM 293 HG LEU A 38 7.654 15.535 27.637 1.00 0.00 H ATOM 294 HD21 LEU A 38 10.497 15.813 26.627 1.00 0.00 H ATOM 295 HD22 LEU A 38 9.011 16.133 25.699 1.00 0.00 H ATOM 296 HD23 LEU A 38 9.416 17.144 27.107 1.00 0.00 H ATOM 297 HD11 LEU A 38 8.664 14.514 29.645 1.00 0.00 H ATOM 298 HD12 LEU A 38 10.290 14.820 28.986 1.00 0.00 H ATOM 299 HD13 LEU A 38 9.234 16.186 29.423 1.00 0.00 H ATOM 300 H LEU A 38 6.183 14.043 27.080 1.00 0.00 H ATOM 301 N LYS A 39 7.339 11.114 26.100 1.00 18.38 N ATOM 302 CA LYS A 39 7.479 9.710 25.740 1.00 18.87 C ATOM 303 C LYS A 39 6.956 9.374 24.346 1.00 19.06 C ATOM 304 O LYS A 39 7.509 8.506 23.681 1.00 18.81 O ATOM 305 CB LYS A 39 6.788 8.816 26.760 1.00 19.97 C ATOM 306 CG LYS A 39 7.527 8.729 28.058 1.00 21.37 C ATOM 307 CD LYS A 39 6.732 8.026 29.108 1.00 22.57 C ATOM 308 CE LYS A 39 7.300 8.313 30.471 1.00 23.43 C ATOM 309 NZ LYS A 39 8.712 7.828 30.609 1.00 24.49 N ATOM 310 HA LYS A 39 8.553 9.522 25.735 1.00 0.00 H ATOM 311 HB2 LYS A 39 5.792 9.215 26.953 1.00 0.00 H ATOM 312 HB3 LYS A 39 6.702 7.813 26.341 1.00 0.00 H ATOM 313 HG2 LYS A 39 8.458 8.185 27.898 1.00 0.00 H ATOM 314 HG3 LYS A 39 7.752 9.738 28.403 1.00 0.00 H ATOM 315 HD2 LYS A 39 5.699 8.371 29.069 1.00 0.00 H ATOM 316 HD3 LYS A 39 6.762 6.952 28.924 1.00 0.00 H ATOM 317 HE2 LYS A 39 6.683 7.817 31.220 1.00 0.00 H ATOM 318 HE3 LYS A 39 7.280 9.390 30.641 1.00 0.00 H ATOM 319 HZ1 LYS A 39 8.741 6.800 30.456 1.00 0.00 H ATOM 320 HZ2 LYS A 39 9.310 8.301 29.902 1.00 0.00 H ATOM 321 HZ3 LYS A 39 9.061 8.048 31.564 1.00 0.00 H ATOM 322 H LYS A 39 6.723 11.400 26.888 1.00 0.00 H ATOM 323 N SER A 40 5.915 10.072 23.897 1.00 19.36 N ATOM 324 CA SER A 40 5.348 9.805 22.574 1.00 19.72 C ATOM 325 C SER A 40 6.340 10.110 21.460 1.00 20.06 C ATOM 326 O SER A 40 6.104 9.775 20.298 1.00 20.07 O ATOM 327 CB SER A 40 4.085 10.630 22.346 1.00 19.63 C ATOM 328 OG SER A 40 4.423 11.833 21.698 1.00 19.58 O ATOM 329 HA SER A 40 5.105 8.743 22.548 1.00 0.00 H ATOM 330 HB2 SER A 40 3.617 10.852 23.305 1.00 0.00 H ATOM 331 HB3 SER A 40 3.389 10.066 21.726 1.00 0.00 H ATOM 332 HG SER A 40 4.847 11.629 20.827 1.00 0.00 H ATOM 333 H SER A 40 5.500 10.816 24.493 1.00 0.00 H ATOM 334 N VAL A 41 7.442 10.764 21.808 1.00 20.63 N ATOM 335 CA VAL A 41 8.450 11.060 20.812 1.00 20.80 C ATOM 336 C VAL A 41 9.812 10.465 21.151 1.00 21.37 C ATOM 337 O VAL A 41 10.839 11.006 20.772 1.00 21.27 O ATOM 338 CB VAL A 41 8.592 12.581 20.564 1.00 20.73 C ATOM 339 CG1 VAL A 41 7.311 13.124 19.932 1.00 21.05 C ATOM 340 CG2 VAL A 41 8.899 13.303 21.863 1.00 20.61 C ATOM 341 HA VAL A 41 8.097 10.586 19.896 1.00 0.00 H ATOM 342 HB VAL A 41 9.421 12.754 19.878 1.00 0.00 H ATOM 343 HG11 VAL A 41 7.133 12.618 18.983 1.00 0.00 H ATOM 344 HG12 VAL A 41 6.472 12.944 20.604 1.00 0.00 H ATOM 345 HG13 VAL A 41 7.418 14.195 19.760 1.00 0.00 H ATOM 346 HG21 VAL A 41 8.089 13.133 22.572 1.00 0.00 H ATOM 347 HG22 VAL A 41 9.832 12.922 22.277 1.00 0.00 H ATOM 348 HG23 VAL A 41 8.995 14.371 21.669 1.00 0.00 H ATOM 349 H VAL A 41 7.581 11.063 22.794 1.00 0.00 H ATOM 350 N GLY A 42 9.801 9.349 21.880 1.00 21.88 N ATOM 351 CA GLY A 42 11.038 8.666 22.218 1.00 22.64 C ATOM 352 C GLY A 42 11.667 8.926 23.574 1.00 23.06 C ATOM 353 O GLY A 42 12.566 8.178 23.984 1.00 23.23 O ATOM 354 HA3 GLY A 42 11.774 8.944 21.464 1.00 0.00 H ATOM 355 HA2 GLY A 42 10.841 7.596 22.155 1.00 0.00 H ATOM 356 H GLY A 42 8.894 8.962 22.211 1.00 0.00 H ATOM 357 N ALA A 43 11.239 9.975 24.272 1.00 23.22 N ATOM 358 CA ALA A 43 11.824 10.266 25.577 1.00 23.61 C ATOM 359 C ALA A 43 11.593 9.033 26.447 1.00 23.82 C ATOM 360 O ALA A 43 10.616 8.322 26.280 1.00 24.08 O ATOM 361 CB ALA A 43 11.166 11.503 26.194 1.00 23.62 C ATOM 362 HA ALA A 43 12.889 10.482 25.492 1.00 0.00 H ATOM 363 HB1 ALA A 43 11.318 12.360 25.537 1.00 0.00 H ATOM 364 HB2 ALA A 43 10.098 11.322 26.316 1.00 0.00 H ATOM 365 HB3 ALA A 43 11.615 11.705 27.167 1.00 0.00 H ATOM 366 H ALA A 43 10.490 10.586 23.889 1.00 0.00 H ATOM 367 N GLN A 44 12.492 8.772 27.379 1.00 23.97 N ATOM 368 CA GLN A 44 12.323 7.586 28.201 1.00 24.25 C ATOM 369 C GLN A 44 12.944 7.725 29.566 1.00 24.29 C ATOM 370 O GLN A 44 13.307 6.734 30.185 1.00 24.98 O ATOM 371 CB GLN A 44 12.916 6.383 27.492 1.00 24.51 C ATOM 372 HA GLN A 44 11.251 7.451 28.349 1.00 0.00 H ATOM 373 HB2 GLN A 44 12.408 6.238 26.539 1.00 0.00 H ATOM 374 HB3 GLN A 44 13.978 6.553 27.317 1.00 0.00 H ATOM 375 H GLN A 44 13.306 9.404 27.522 1.00 0.00 H ATOM 376 N LYS A 45 13.058 8.962 30.032 1.00 24.13 N ATOM 377 CA LYS A 45 13.635 9.231 31.334 1.00 23.58 C ATOM 378 C LYS A 45 12.603 9.931 32.208 1.00 23.02 C ATOM 379 O LYS A 45 11.549 10.319 31.734 1.00 22.95 O ATOM 380 CB LYS A 45 14.880 10.117 31.171 1.00 24.34 C ATOM 381 CG LYS A 45 16.098 9.419 30.565 1.00 25.13 C ATOM 382 CD LYS A 45 17.305 10.359 30.541 1.00 25.29 C ATOM 383 CE LYS A 45 17.042 11.580 29.665 1.00 25.73 C ATOM 384 NZ LYS A 45 18.165 12.574 29.680 1.00 26.11 N ATOM 385 HA LYS A 45 13.928 8.294 31.808 1.00 0.00 H ATOM 386 HB2 LYS A 45 14.616 10.956 30.527 1.00 0.00 H ATOM 387 HB3 LYS A 45 15.160 10.491 32.156 1.00 0.00 H ATOM 388 HG2 LYS A 45 16.341 8.540 31.162 1.00 0.00 H ATOM 389 HG3 LYS A 45 15.864 9.111 29.546 1.00 0.00 H ATOM 390 HD2 LYS A 45 17.517 10.690 31.558 1.00 0.00 H ATOM 391 HD3 LYS A 45 18.167 9.820 30.149 1.00 0.00 H ATOM 392 HE2 LYS A 45 16.138 12.074 30.021 1.00 0.00 H ATOM 393 HE3 LYS A 45 16.891 11.244 28.639 1.00 0.00 H ATOM 394 HZ1 LYS A 45 18.315 12.912 30.652 1.00 0.00 H ATOM 395 HZ2 LYS A 45 19.033 12.119 29.332 1.00 0.00 H ATOM 396 HZ3 LYS A 45 17.923 13.378 29.066 1.00 0.00 H ATOM 397 H LYS A 45 12.726 9.757 29.450 1.00 0.00 H ATOM 398 N ASP A 46 12.898 10.080 33.492 1.00 22.47 N ATOM 399 CA ASP A 46 11.967 10.791 34.358 1.00 22.03 C ATOM 400 C ASP A 46 12.475 12.194 34.636 1.00 21.05 C ATOM 401 O ASP A 46 11.711 13.050 35.041 1.00 21.22 O ATOM 402 CB ASP A 46 11.768 10.083 35.683 1.00 22.98 C ATOM 403 CG ASP A 46 10.943 8.849 35.552 1.00 23.80 C ATOM 404 OD1 ASP A 46 9.776 8.933 35.119 1.00 24.59 O ATOM 405 OD2 ASP A 46 11.469 7.780 35.887 1.00 25.24 O ATOM 406 HA ASP A 46 11.012 10.826 33.833 1.00 0.00 H ATOM 407 HB2 ASP A 46 12.744 9.810 36.084 1.00 0.00 H ATOM 408 HB3 ASP A 46 11.271 10.765 36.373 1.00 0.00 H ATOM 409 H ASP A 46 13.784 9.694 33.876 1.00 0.00 H ATOM 410 N THR A 47 13.760 12.429 34.390 1.00 20.10 N ATOM 411 CA THR A 47 14.345 13.751 34.612 1.00 18.99 C ATOM 412 C THR A 47 14.957 14.289 33.324 1.00 18.11 C ATOM 413 O THR A 47 15.413 13.550 32.526 1.00 17.30 O ATOM 414 CB THR A 47 15.420 13.698 35.699 1.00 19.35 C ATOM 415 OG1 THR A 47 16.572 13.000 35.207 1.00 19.69 O ATOM 416 CG2 THR A 47 14.892 12.985 36.910 1.00 19.73 C ATOM 417 HA THR A 47 13.545 14.416 34.937 1.00 0.00 H ATOM 418 HB THR A 47 15.696 14.717 35.970 1.00 0.00 H ATOM 419 HG1 THR A 47 16.315 12.078 34.954 1.00 0.00 H ATOM 420 HG23 THR A 47 14.016 13.512 37.287 1.00 0.00 H ATOM 421 HG21 THR A 47 14.615 11.966 36.638 1.00 0.00 H ATOM 422 HG22 THR A 47 15.663 12.960 37.680 1.00 0.00 H ATOM 423 H THR A 47 14.361 11.659 34.033 1.00 0.00 H ATOM 424 N TYR A 48 14.978 15.609 33.177 1.00 17.32 N ATOM 425 CA TYR A 48 15.482 16.220 31.957 1.00 16.75 C ATOM 426 C TYR A 48 16.099 17.581 32.169 1.00 15.96 C ATOM 427 O TYR A 48 15.880 18.197 33.207 1.00 16.11 O ATOM 428 CB TYR A 48 14.329 16.397 30.978 1.00 17.44 C ATOM 429 CG TYR A 48 13.699 15.125 30.484 1.00 18.39 C ATOM 430 CD1 TYR A 48 14.253 14.432 29.415 1.00 18.81 C ATOM 431 CD2 TYR A 48 12.589 14.578 31.125 1.00 18.70 C ATOM 432 CE1 TYR A 48 13.731 13.214 28.995 1.00 19.39 C ATOM 433 CE2 TYR A 48 12.054 13.362 30.720 1.00 19.08 C ATOM 434 CZ TYR A 48 12.634 12.677 29.653 1.00 19.83 C ATOM 435 OH TYR A 48 12.155 11.449 29.245 1.00 20.05 O ATOM 436 HA TYR A 48 16.258 15.553 31.582 1.00 0.00 H ATOM 437 HB3 TYR A 48 14.703 16.945 30.113 1.00 0.00 H ATOM 438 HB2 TYR A 48 13.556 16.985 31.472 1.00 0.00 H ATOM 439 HD2 TYR A 48 12.133 15.113 31.958 1.00 0.00 H ATOM 440 HE2 TYR A 48 11.187 12.946 31.233 1.00 0.00 H ATOM 441 HE1 TYR A 48 14.180 12.685 28.155 1.00 0.00 H ATOM 442 HD1 TYR A 48 15.114 14.852 28.895 1.00 0.00 H ATOM 443 HH TYR A 48 12.222 10.805 29.994 1.00 0.00 H ATOM 444 H TYR A 48 14.629 16.215 33.946 1.00 0.00 H ATOM 445 N THR A 49 16.929 18.008 31.223 1.00 15.43 N ATOM 446 CA THR A 49 17.480 19.355 31.304 1.00 14.69 C ATOM 447 C THR A 49 16.419 20.080 30.486 1.00 14.48 C ATOM 448 O THR A 49 15.786 19.475 29.635 1.00 13.83 O ATOM 449 CB THR A 49 18.840 19.531 30.572 1.00 14.96 C ATOM 450 OG1 THR A 49 18.686 19.240 29.172 1.00 14.56 O ATOM 451 CG2 THR A 49 19.911 18.651 31.200 1.00 15.03 C ATOM 452 HA THR A 49 17.672 19.677 32.327 1.00 0.00 H ATOM 453 HB THR A 49 19.162 20.567 30.676 1.00 0.00 H ATOM 454 HG1 THR A 49 19.556 19.355 28.715 1.00 0.00 H ATOM 455 HG23 THR A 49 20.005 18.894 32.258 1.00 0.00 H ATOM 456 HG21 THR A 49 19.630 17.604 31.090 1.00 0.00 H ATOM 457 HG22 THR A 49 20.863 18.827 30.700 1.00 0.00 H ATOM 458 H THR A 49 17.184 17.385 30.430 1.00 0.00 H ATOM 459 N MET A 50 16.224 21.372 30.721 1.00 14.11 N ATOM 460 CA MET A 50 15.227 22.101 29.958 1.00 14.17 C ATOM 461 C MET A 50 15.529 22.081 28.462 1.00 14.43 C ATOM 462 O MET A 50 14.617 22.171 27.657 1.00 14.10 O ATOM 463 CB MET A 50 15.129 23.550 30.437 1.00 13.68 C ATOM 464 CG MET A 50 14.277 23.718 31.687 1.00 13.67 C ATOM 465 SD MET A 50 12.584 23.108 31.467 1.00 15.77 S ATOM 466 CE MET A 50 11.909 24.316 30.285 1.00 14.71 C ATOM 467 HA MET A 50 14.274 21.599 30.122 1.00 0.00 H ATOM 468 HB2 MET A 50 16.134 23.911 30.653 1.00 0.00 H ATOM 469 HB3 MET A 50 14.693 24.149 29.638 1.00 0.00 H ATOM 470 HG2 MET A 50 14.236 24.777 31.942 1.00 0.00 H ATOM 471 HG3 MET A 50 14.743 23.167 32.504 1.00 0.00 H ATOM 472 HE1 MET A 50 11.954 25.314 30.722 1.00 0.00 H ATOM 473 HE2 MET A 50 12.497 24.293 29.368 1.00 0.00 H ATOM 474 HE3 MET A 50 10.873 24.062 30.060 1.00 0.00 H ATOM 475 H MET A 50 16.784 21.860 31.449 1.00 0.00 H ATOM 476 N LYS A 51 16.811 21.975 28.106 1.00 14.86 N ATOM 477 CA LYS A 51 17.215 21.941 26.709 1.00 15.16 C ATOM 478 C LYS A 51 16.587 20.731 26.019 1.00 14.80 C ATOM 479 O LYS A 51 16.142 20.819 24.896 1.00 13.95 O ATOM 480 CB LYS A 51 18.755 21.889 26.585 1.00 16.23 C ATOM 481 CG LYS A 51 19.261 22.240 25.186 1.00 18.06 C ATOM 482 CD LYS A 51 20.782 22.394 25.131 1.00 19.27 C ATOM 483 CE LYS A 51 21.178 23.557 24.223 1.00 20.45 C ATOM 484 NZ LYS A 51 21.766 24.734 24.930 1.00 21.62 N ATOM 485 HA LYS A 51 16.866 22.852 26.222 1.00 0.00 H ATOM 486 HB2 LYS A 51 19.184 22.596 27.296 1.00 0.00 H ATOM 487 HB3 LYS A 51 19.088 20.881 26.831 1.00 0.00 H ATOM 488 HG2 LYS A 51 18.965 21.448 24.499 1.00 0.00 H ATOM 489 HG3 LYS A 51 18.803 23.179 24.875 1.00 0.00 H ATOM 490 HD2 LYS A 51 21.159 22.581 26.136 1.00 0.00 H ATOM 491 HD3 LYS A 51 21.221 21.474 24.745 1.00 0.00 H ATOM 492 HE2 LYS A 51 20.287 23.891 23.692 1.00 0.00 H ATOM 493 HE3 LYS A 51 21.912 23.192 23.505 1.00 0.00 H ATOM 494 HZ1 LYS A 51 21.075 25.108 25.612 1.00 0.00 H ATOM 495 HZ2 LYS A 51 22.627 24.440 25.433 1.00 0.00 H ATOM 496 HZ3 LYS A 51 22.003 25.471 24.236 1.00 0.00 H ATOM 497 H LYS A 51 17.539 21.915 28.846 1.00 0.00 H ATOM 498 N GLU A 52 16.599 19.595 26.701 1.00 14.77 N ATOM 499 CA GLU A 52 16.023 18.384 26.131 1.00 14.59 C ATOM 500 C GLU A 52 14.508 18.534 25.995 1.00 13.96 C ATOM 501 O GLU A 52 13.943 18.219 24.961 1.00 13.89 O ATOM 502 CB GLU A 52 16.356 17.169 27.003 1.00 15.61 C ATOM 503 CG GLU A 52 17.845 16.850 27.085 1.00 17.12 C ATOM 504 CD GLU A 52 18.148 15.637 27.955 1.00 18.17 C ATOM 505 OE1 GLU A 52 17.576 15.533 29.061 1.00 19.49 O ATOM 506 OE2 GLU A 52 18.977 14.794 27.541 1.00 19.62 O ATOM 507 HA GLU A 52 16.453 18.229 25.141 1.00 0.00 H ATOM 508 HB2 GLU A 52 15.991 17.361 28.012 1.00 0.00 H ATOM 509 HB3 GLU A 52 15.842 16.301 26.591 1.00 0.00 H ATOM 510 HG2 GLU A 52 18.215 16.656 26.078 1.00 0.00 H ATOM 511 HG3 GLU A 52 18.363 17.714 27.501 1.00 0.00 H ATOM 512 H GLU A 52 17.023 19.568 27.650 1.00 0.00 H ATOM 513 N VAL A 53 13.858 19.025 27.049 1.00 13.47 N ATOM 514 CA VAL A 53 12.410 19.216 27.032 1.00 13.28 C ATOM 515 C VAL A 53 11.996 20.093 25.860 1.00 13.09 C ATOM 516 O VAL A 53 11.098 19.747 25.112 1.00 12.61 O ATOM 517 CB VAL A 53 11.893 19.926 28.295 1.00 13.05 C ATOM 518 CG1 VAL A 53 10.399 20.182 28.149 1.00 12.79 C ATOM 519 CG2 VAL A 53 12.172 19.102 29.525 1.00 13.34 C ATOM 520 HA VAL A 53 11.987 18.214 26.963 1.00 0.00 H ATOM 521 HB VAL A 53 12.413 20.877 28.409 1.00 0.00 H ATOM 522 HG11 VAL A 53 10.223 20.811 27.277 1.00 0.00 H ATOM 523 HG12 VAL A 53 9.879 19.232 28.024 1.00 0.00 H ATOM 524 HG13 VAL A 53 10.029 20.685 29.042 1.00 0.00 H ATOM 525 HG21 VAL A 53 11.673 18.137 29.435 1.00 0.00 H ATOM 526 HG22 VAL A 53 13.247 18.949 29.622 1.00 0.00 H ATOM 527 HG23 VAL A 53 11.797 19.626 30.404 1.00 0.00 H ATOM 528 H VAL A 53 14.394 19.278 27.904 1.00 0.00 H ATOM 529 N LEU A 54 12.667 21.241 25.736 1.00 13.30 N ATOM 530 CA LEU A 54 12.399 22.211 24.672 1.00 14.01 C ATOM 531 C LEU A 54 12.530 21.556 23.320 1.00 13.98 C ATOM 532 O LEU A 54 11.762 21.818 22.397 1.00 13.86 O ATOM 533 CB LEU A 54 13.372 23.398 24.756 1.00 14.31 C ATOM 534 CG LEU A 54 13.126 24.433 25.855 1.00 15.13 C ATOM 535 CD1 LEU A 54 14.263 25.435 25.896 1.00 14.84 C ATOM 536 CD2 LEU A 54 11.801 25.139 25.597 1.00 15.16 C ATOM 537 HA LEU A 54 11.381 22.577 24.802 1.00 0.00 H ATOM 538 HB2 LEU A 54 14.372 22.991 24.907 1.00 0.00 H ATOM 539 HB3 LEU A 54 13.334 23.920 23.800 1.00 0.00 H ATOM 540 HG LEU A 54 13.080 23.931 26.821 1.00 0.00 H ATOM 541 HD21 LEU A 54 11.839 25.637 24.628 1.00 0.00 H ATOM 542 HD22 LEU A 54 10.994 24.406 25.599 1.00 0.00 H ATOM 543 HD23 LEU A 54 11.625 25.877 26.380 1.00 0.00 H ATOM 544 HD11 LEU A 54 15.198 24.913 26.100 1.00 0.00 H ATOM 545 HD12 LEU A 54 14.332 25.944 24.935 1.00 0.00 H ATOM 546 HD13 LEU A 54 14.074 26.165 26.683 1.00 0.00 H ATOM 547 H LEU A 54 13.414 21.456 26.427 1.00 0.00 H ATOM 548 N PHE A 55 13.519 20.687 23.216 1.00 14.23 N ATOM 549 CA PHE A 55 13.751 19.973 21.979 1.00 14.39 C ATOM 550 C PHE A 55 12.673 18.928 21.644 1.00 14.30 C ATOM 551 O PHE A 55 12.222 18.839 20.508 1.00 13.93 O ATOM 552 CB PHE A 55 15.099 19.272 22.028 1.00 14.94 C ATOM 553 CG PHE A 55 15.367 18.467 20.809 1.00 15.77 C ATOM 554 CD1 PHE A 55 15.945 19.053 19.702 1.00 15.90 C ATOM 555 CD2 PHE A 55 14.928 17.154 20.730 1.00 16.01 C ATOM 556 CE1 PHE A 55 16.074 18.355 18.504 1.00 16.40 C ATOM 557 CE2 PHE A 55 15.043 16.433 19.543 1.00 16.42 C ATOM 558 CZ PHE A 55 15.620 17.030 18.425 1.00 16.15 C ATOM 559 HA PHE A 55 13.721 20.730 21.196 1.00 0.00 H ATOM 560 HB2 PHE A 55 15.881 20.025 22.129 1.00 0.00 H ATOM 561 HB3 PHE A 55 15.118 18.611 22.895 1.00 0.00 H ATOM 562 HD2 PHE A 55 14.488 16.680 21.607 1.00 0.00 H ATOM 563 HE2 PHE A 55 14.683 15.406 19.490 1.00 0.00 H ATOM 564 HZ PHE A 55 15.718 16.471 17.494 1.00 0.00 H ATOM 565 HE1 PHE A 55 16.524 18.834 17.635 1.00 0.00 H ATOM 566 HD1 PHE A 55 16.307 20.079 19.766 1.00 0.00 H ATOM 567 H PHE A 55 14.139 20.514 24.033 1.00 0.00 H ATOM 568 N TYR A 56 12.277 18.130 22.628 1.00 14.04 N ATOM 569 CA TYR A 56 11.259 17.110 22.378 1.00 14.86 C ATOM 570 C TYR A 56 9.913 17.749 22.024 1.00 14.81 C ATOM 571 O TYR A 56 9.121 17.194 21.252 1.00 14.47 O ATOM 572 CB TYR A 56 11.128 16.165 23.588 1.00 15.43 C ATOM 573 CG TYR A 56 12.257 15.150 23.715 1.00 16.49 C ATOM 574 CD1 TYR A 56 12.563 14.277 22.667 1.00 17.30 C ATOM 575 CD2 TYR A 56 12.991 15.032 24.898 1.00 17.08 C ATOM 576 CE1 TYR A 56 13.572 13.304 22.798 1.00 17.99 C ATOM 577 CE2 TYR A 56 13.996 14.069 25.037 1.00 17.91 C ATOM 578 CZ TYR A 56 14.278 13.212 23.991 1.00 18.32 C ATOM 579 OH TYR A 56 15.257 12.256 24.136 1.00 19.16 O ATOM 580 HA TYR A 56 11.576 16.517 21.520 1.00 0.00 H ATOM 581 HB3 TYR A 56 10.188 15.621 23.497 1.00 0.00 H ATOM 582 HB2 TYR A 56 11.109 16.771 24.494 1.00 0.00 H ATOM 583 HD2 TYR A 56 12.776 15.704 25.729 1.00 0.00 H ATOM 584 HE2 TYR A 56 14.556 13.995 25.969 1.00 0.00 H ATOM 585 HE1 TYR A 56 13.797 12.630 21.972 1.00 0.00 H ATOM 586 HD1 TYR A 56 12.010 14.351 21.731 1.00 0.00 H ATOM 587 HH TYR A 56 15.331 11.731 23.300 1.00 0.00 H ATOM 588 H TYR A 56 12.691 18.230 23.577 1.00 0.00 H ATOM 589 N LEU A 57 9.667 18.935 22.570 1.00 14.98 N ATOM 590 CA LEU A 57 8.432 19.654 22.276 1.00 15.04 C ATOM 591 C LEU A 57 8.469 20.152 20.844 1.00 15.10 C ATOM 592 O LEU A 57 7.450 20.174 20.170 1.00 15.54 O ATOM 593 CB LEU A 57 8.256 20.842 23.218 1.00 15.28 C ATOM 594 CG LEU A 57 7.731 20.417 24.584 1.00 15.11 C ATOM 595 CD1 LEU A 57 7.757 21.584 25.563 1.00 15.67 C ATOM 596 CD2 LEU A 57 6.328 19.900 24.398 1.00 15.41 C ATOM 597 HA LEU A 57 7.593 18.972 22.415 1.00 0.00 H ATOM 598 HB2 LEU A 57 9.220 21.333 23.349 1.00 0.00 H ATOM 599 HB3 LEU A 57 7.550 21.543 22.772 1.00 0.00 H ATOM 600 HG LEU A 57 8.365 19.636 25.004 1.00 0.00 H ATOM 601 HD21 LEU A 57 5.703 20.690 23.981 1.00 0.00 H ATOM 602 HD22 LEU A 57 6.343 19.049 23.717 1.00 0.00 H ATOM 603 HD23 LEU A 57 5.926 19.588 25.362 1.00 0.00 H ATOM 604 HD11 LEU A 57 8.781 21.939 25.675 1.00 0.00 H ATOM 605 HD12 LEU A 57 7.131 22.391 25.182 1.00 0.00 H ATOM 606 HD13 LEU A 57 7.377 21.254 26.530 1.00 0.00 H ATOM 607 H LEU A 57 10.364 19.357 23.216 1.00 0.00 H ATOM 608 N GLY A 58 9.652 20.566 20.403 1.00 14.78 N ATOM 609 CA GLY A 58 9.815 21.039 19.043 1.00 15.05 C ATOM 610 C GLY A 58 9.495 19.883 18.115 1.00 15.33 C ATOM 611 O GLY A 58 8.861 20.068 17.079 1.00 15.06 O ATOM 612 HA3 GLY A 58 10.841 21.370 18.885 1.00 0.00 H ATOM 613 HA2 GLY A 58 9.134 21.868 18.853 1.00 0.00 H ATOM 614 H GLY A 58 10.472 20.550 21.042 1.00 0.00 H ATOM 615 N GLN A 59 9.924 18.685 18.520 1.00 15.52 N ATOM 616 CA GLN A 59 9.702 17.448 17.773 1.00 16.68 C ATOM 617 C GLN A 59 8.225 17.120 17.658 1.00 16.98 C ATOM 618 O GLN A 59 7.733 16.802 16.587 1.00 16.28 O ATOM 619 CB GLN A 59 10.444 16.270 18.453 1.00 17.26 C ATOM 620 CG GLN A 59 10.666 15.067 17.540 1.00 18.34 C ATOM 621 CD GLN A 59 11.546 13.973 18.177 1.00 18.61 C ATOM 622 OE1 GLN A 59 12.426 14.253 18.970 1.00 19.55 O ATOM 623 NE2 GLN A 59 11.298 12.726 17.806 1.00 19.61 N ATOM 624 HA GLN A 59 10.096 17.598 16.768 1.00 0.00 H ATOM 625 HB2 GLN A 59 11.416 16.627 18.793 1.00 0.00 H ATOM 626 HB3 GLN A 59 9.857 15.945 19.312 1.00 0.00 H ATOM 627 HG2 GLN A 59 9.696 14.633 17.297 1.00 0.00 H ATOM 628 HG3 GLN A 59 11.149 15.411 16.625 1.00 0.00 H ATOM 629 HE22 GLN A 59 10.537 12.527 17.126 1.00 0.00 H ATOM 630 HE21 GLN A 59 11.864 11.945 18.195 1.00 0.00 H ATOM 631 H GLN A 59 10.446 18.629 19.418 1.00 0.00 H ATOM 632 N TYR A 60 7.542 17.167 18.797 1.00 17.44 N ATOM 633 CA TYR A 60 6.116 16.871 18.852 1.00 18.42 C ATOM 634 C TYR A 60 5.373 17.829 17.929 1.00 18.77 C ATOM 635 O TYR A 60 4.591 17.429 17.095 1.00 19.20 O ATOM 636 CB TYR A 60 5.593 17.060 20.273 1.00 18.43 C ATOM 637 CG TYR A 60 4.150 16.641 20.479 1.00 19.05 C ATOM 638 CD1 TYR A 60 3.816 15.327 20.829 1.00 19.21 C ATOM 639 CD2 TYR A 60 3.118 17.574 20.376 1.00 19.32 C ATOM 640 CE1 TYR A 60 2.491 14.962 21.077 1.00 19.90 C ATOM 641 CE2 TYR A 60 1.799 17.228 20.620 1.00 19.73 C ATOM 642 CZ TYR A 60 1.486 15.925 20.974 1.00 19.92 C ATOM 643 OH TYR A 60 0.174 15.608 21.248 1.00 20.55 O ATOM 644 HA TYR A 60 5.956 15.839 18.541 1.00 0.00 H ATOM 645 HB3 TYR A 60 5.680 18.116 20.529 1.00 0.00 H ATOM 646 HB2 TYR A 60 6.217 16.471 20.946 1.00 0.00 H ATOM 647 HD2 TYR A 60 3.355 18.601 20.097 1.00 0.00 H ATOM 648 HE2 TYR A 60 1.011 17.977 20.534 1.00 0.00 H ATOM 649 HE1 TYR A 60 2.244 13.936 21.348 1.00 0.00 H ATOM 650 HD1 TYR A 60 4.603 14.577 20.909 1.00 0.00 H ATOM 651 HH TYR A 60 0.110 14.649 21.483 1.00 0.00 H ATOM 652 H TYR A 60 8.039 17.422 19.674 1.00 0.00 H ATOM 653 N ILE A 61 5.664 19.114 18.082 1.00 19.99 N ATOM 654 CA ILE A 61 5.031 20.144 17.266 1.00 20.85 C ATOM 655 C ILE A 61 5.124 19.831 15.764 1.00 21.88 C ATOM 656 O ILE A 61 4.106 19.918 15.053 1.00 21.91 O ATOM 657 CB ILE A 61 5.662 21.506 17.537 1.00 20.78 C ATOM 658 CG1 ILE A 61 5.300 21.942 18.954 1.00 20.53 C ATOM 659 CG2 ILE A 61 5.181 22.523 16.509 1.00 20.20 C ATOM 660 CD1 ILE A 61 5.899 23.275 19.384 1.00 20.32 C ATOM 661 HA ILE A 61 3.977 20.164 17.545 1.00 0.00 H ATOM 662 HB ILE A 61 6.747 21.439 17.451 1.00 0.00 H ATOM 663 HG12 ILE A 61 4.215 22.021 19.018 1.00 0.00 H ATOM 664 HG13 ILE A 61 5.649 21.174 19.645 1.00 0.00 H ATOM 665 HD11 ILE A 61 6.986 23.214 19.341 1.00 0.00 H ATOM 666 HD12 ILE A 61 5.551 24.061 18.714 1.00 0.00 H ATOM 667 HD13 ILE A 61 5.586 23.500 20.404 1.00 0.00 H ATOM 668 HG21 ILE A 61 5.464 22.190 15.510 1.00 0.00 H ATOM 669 HG22 ILE A 61 4.096 22.613 16.569 1.00 0.00 H ATOM 670 HG23 ILE A 61 5.639 23.490 16.715 1.00 0.00 H ATOM 671 H ILE A 61 6.361 19.394 18.802 1.00 0.00 H ATOM 672 N MET A 62 6.309 19.470 15.262 1.00 23.11 N ATOM 673 CA MET A 62 6.391 19.165 13.837 1.00 24.51 C ATOM 674 C MET A 62 5.865 17.808 13.407 1.00 24.91 C ATOM 675 O MET A 62 5.464 17.657 12.258 1.00 25.05 O ATOM 676 CB MET A 62 7.811 19.393 13.231 1.00 25.16 C ATOM 677 CG MET A 62 9.079 19.309 14.082 1.00 26.23 C ATOM 678 SD MET A 62 10.518 20.080 13.193 1.00 27.23 S ATOM 679 CE MET A 62 10.155 21.620 13.512 1.00 27.24 C ATOM 680 HA MET A 62 5.700 19.899 13.422 1.00 0.00 H ATOM 681 HB2 MET A 62 7.926 18.655 12.438 1.00 0.00 H ATOM 682 HB3 MET A 62 7.801 20.393 12.797 1.00 0.00 H ATOM 683 HG2 MET A 62 9.304 18.262 14.287 1.00 0.00 H ATOM 684 HG3 MET A 62 8.915 19.835 15.022 1.00 0.00 H ATOM 685 HE1 MET A 62 9.174 21.854 13.098 1.00 0.00 H ATOM 686 HE2 MET A 62 10.141 21.773 14.591 1.00 0.00 H ATOM 687 HE3 MET A 62 10.906 22.270 13.062 1.00 0.00 H ATOM 688 H MET A 62 7.150 19.408 15.871 1.00 0.00 H ATOM 689 N THR A 63 5.918 16.819 14.298 1.00 25.47 N ATOM 690 CA THR A 63 5.425 15.497 13.928 1.00 26.46 C ATOM 691 C THR A 63 3.900 15.490 13.813 1.00 27.09 C ATOM 692 O THR A 63 3.356 14.954 12.870 1.00 26.92 O ATOM 693 CB THR A 63 5.867 14.376 14.919 1.00 26.46 C ATOM 694 OG1 THR A 63 5.210 14.530 16.186 1.00 27.44 O ATOM 695 CG2 THR A 63 7.364 14.403 15.110 1.00 26.39 C ATOM 696 HA THR A 63 5.873 15.279 12.959 1.00 0.00 H ATOM 697 HB THR A 63 5.581 13.414 14.493 1.00 0.00 H ATOM 698 HG1 THR A 63 5.444 15.410 16.573 1.00 0.00 H ATOM 699 HG23 THR A 63 7.854 14.286 14.144 1.00 0.00 H ATOM 700 HG21 THR A 63 7.655 15.355 15.553 1.00 0.00 H ATOM 701 HG22 THR A 63 7.660 13.588 15.770 1.00 0.00 H ATOM 702 H THR A 63 6.307 16.988 15.248 1.00 0.00 H ATOM 703 N LYS A 64 3.216 16.076 14.791 1.00 27.75 N ATOM 704 CA LYS A 64 1.760 16.125 14.743 1.00 28.73 C ATOM 705 C LYS A 64 1.259 17.277 13.894 1.00 29.02 C ATOM 706 O LYS A 64 0.044 17.547 13.813 1.00 28.92 O ATOM 707 CB LYS A 64 1.173 16.177 16.148 1.00 29.15 C ATOM 708 CG LYS A 64 1.166 14.808 16.802 1.00 29.89 C ATOM 709 CD LYS A 64 0.340 14.771 18.052 1.00 30.56 C ATOM 710 CE LYS A 64 -0.734 13.703 17.962 1.00 31.24 C ATOM 711 NZ LYS A 64 -1.319 13.470 19.310 1.00 31.78 N ATOM 712 HA LYS A 64 1.418 15.207 14.266 1.00 0.00 H ATOM 713 HB2 LYS A 64 1.770 16.857 16.756 1.00 0.00 H ATOM 714 HB3 LYS A 64 0.149 16.547 16.090 1.00 0.00 H ATOM 715 HG2 LYS A 64 0.761 14.085 16.094 1.00 0.00 H ATOM 716 HG3 LYS A 64 2.191 14.535 17.052 1.00 0.00 H ATOM 717 HD2 LYS A 64 0.988 14.555 18.902 1.00 0.00 H ATOM 718 HD3 LYS A 64 -0.134 15.742 18.196 1.00 0.00 H ATOM 719 HE2 LYS A 64 -0.295 12.777 17.591 1.00 0.00 H ATOM 720 HE3 LYS A 64 -1.517 14.032 17.278 1.00 0.00 H ATOM 721 HZ1 LYS A 64 -0.572 13.156 19.961 1.00 0.00 H ATOM 722 HZ2 LYS A 64 -1.738 14.354 19.662 1.00 0.00 H ATOM 723 HZ3 LYS A 64 -2.055 12.738 19.245 1.00 0.00 H ATOM 724 H LYS A 64 3.722 16.501 15.594 1.00 0.00 H ATOM 725 N ARG A 65 2.215 17.968 13.286 1.00 29.39 N ATOM 726 CA ARG A 65 1.912 19.041 12.371 1.00 30.06 C ATOM 727 C ARG A 65 0.924 20.058 12.920 1.00 30.42 C ATOM 728 O ARG A 65 -0.153 20.297 12.389 1.00 30.03 O ATOM 729 CB ARG A 65 1.419 18.417 11.059 1.00 30.51 C ATOM 730 CG ARG A 65 2.421 17.446 10.401 1.00 31.23 C ATOM 731 CD ARG A 65 2.128 17.268 8.878 1.00 32.14 C ATOM 732 NE ARG A 65 3.280 16.749 8.150 1.00 32.74 N ATOM 733 CZ ARG A 65 4.082 17.494 7.396 1.00 33.10 C ATOM 734 NH1 ARG A 65 3.864 18.797 7.257 1.00 33.55 N ATOM 735 NH2 ARG A 65 5.118 16.940 6.790 1.00 33.36 N ATOM 736 HA ARG A 65 2.822 19.617 12.203 1.00 0.00 H ATOM 737 HB2 ARG A 65 0.499 17.870 11.265 1.00 0.00 H ATOM 738 HB3 ARG A 65 1.211 19.222 10.355 1.00 0.00 H ATOM 739 HG2 ARG A 65 3.430 17.840 10.524 1.00 0.00 H ATOM 740 HG3 ARG A 65 2.349 16.475 10.892 1.00 0.00 H ATOM 741 HD2 ARG A 65 1.854 18.236 8.458 1.00 0.00 H ATOM 742 HD3 ARG A 65 1.296 16.574 8.760 1.00 0.00 H ATOM 743 HE ARG A 65 3.487 15.733 8.225 1.00 0.00 H ATOM 744 HH12 ARG A 65 4.498 19.370 6.664 1.00 0.00 H ATOM 745 HH11 ARG A 65 3.059 19.244 7.741 1.00 0.00 H ATOM 746 HH22 ARG A 65 5.747 17.521 6.200 1.00 0.00 H ATOM 747 HH21 ARG A 65 5.304 15.923 6.904 1.00 0.00 H ATOM 748 H ARG A 65 3.210 17.729 13.474 1.00 0.00 H ATOM 749 N LEU A 66 1.318 20.645 14.035 1.00 30.77 N ATOM 750 CA LEU A 66 0.480 21.638 14.673 1.00 31.49 C ATOM 751 C LEU A 66 0.924 23.007 14.196 1.00 32.12 C ATOM 752 O LEU A 66 0.335 24.029 14.560 1.00 32.12 O ATOM 753 CB LEU A 66 0.638 21.528 16.179 1.00 31.57 C ATOM 754 CG LEU A 66 0.573 20.068 16.649 1.00 31.86 C ATOM 755 CD1 LEU A 66 0.799 20.004 18.150 1.00 32.15 C ATOM 756 CD2 LEU A 66 -0.784 19.426 16.279 1.00 31.95 C ATOM 757 HA LEU A 66 -0.569 21.483 14.419 1.00 0.00 H ATOM 758 HB2 LEU A 66 1.601 21.950 16.466 1.00 0.00 H ATOM 759 HB3 LEU A 66 -0.161 22.091 16.661 1.00 0.00 H ATOM 760 HG LEU A 66 1.357 19.504 16.144 1.00 0.00 H ATOM 761 HD21 LEU A 66 -1.590 19.983 16.756 1.00 0.00 H ATOM 762 HD22 LEU A 66 -0.914 19.451 15.197 1.00 0.00 H ATOM 763 HD23 LEU A 66 -0.802 18.392 16.624 1.00 0.00 H ATOM 764 HD11 LEU A 66 1.779 20.418 18.386 1.00 0.00 H ATOM 765 HD12 LEU A 66 0.027 20.583 18.657 1.00 0.00 H ATOM 766 HD13 LEU A 66 0.752 18.966 18.479 1.00 0.00 H ATOM 767 H LEU A 66 2.235 20.393 14.457 1.00 0.00 H ATOM 768 N TYR A 67 1.969 22.997 13.367 1.00 32.79 N ATOM 769 CA TYR A 67 2.568 24.210 12.821 1.00 33.64 C ATOM 770 C TYR A 67 3.505 23.864 11.660 1.00 33.87 C ATOM 771 O TYR A 67 4.253 22.879 11.719 1.00 34.11 O ATOM 772 CB TYR A 67 3.336 24.943 13.930 1.00 34.35 C ATOM 773 CG TYR A 67 4.830 24.989 13.738 1.00 34.86 C ATOM 774 CD1 TYR A 67 5.603 23.819 13.711 1.00 35.23 C ATOM 775 CD2 TYR A 67 5.467 26.204 13.554 1.00 35.09 C ATOM 776 CE1 TYR A 67 6.972 23.867 13.496 1.00 35.33 C ATOM 777 CE2 TYR A 67 6.858 26.280 13.340 1.00 35.42 C ATOM 778 CZ TYR A 67 7.593 25.109 13.309 1.00 35.50 C ATOM 779 OH TYR A 67 8.940 25.202 13.068 1.00 35.79 O ATOM 780 HA TYR A 67 1.781 24.861 12.441 1.00 0.00 H ATOM 781 HB3 TYR A 67 3.130 24.440 14.875 1.00 0.00 H ATOM 782 HB2 TYR A 67 2.968 25.968 13.978 1.00 0.00 H ATOM 783 HD2 TYR A 67 4.880 27.122 13.575 1.00 0.00 H ATOM 784 HE2 TYR A 67 7.346 27.245 13.201 1.00 0.00 H ATOM 785 HE1 TYR A 67 7.559 22.949 13.473 1.00 0.00 H ATOM 786 HD1 TYR A 67 5.119 22.854 13.862 1.00 0.00 H ATOM 787 HH TYR A 67 9.363 25.754 13.773 1.00 0.00 H ATOM 788 H TYR A 67 2.377 22.079 13.097 1.00 0.00 H TER 789 TYR A 67 ATOM 790 N HIS A 73 5.214 30.594 12.497 1.00 25.18 N ATOM 791 CA HIS A 73 5.409 30.960 13.893 1.00 24.76 C ATOM 792 C HIS A 73 4.217 30.584 14.782 1.00 24.18 C ATOM 793 O HIS A 73 4.347 30.550 15.977 1.00 23.82 O ATOM 794 CB HIS A 73 5.594 32.460 13.988 1.00 25.59 C ATOM 795 CG HIS A 73 4.477 33.209 13.371 1.00 26.44 C ATOM 796 ND1 HIS A 73 4.635 33.968 12.225 1.00 26.65 N ATOM 797 CD2 HIS A 73 3.154 33.264 13.660 1.00 26.57 C ATOM 798 CE1 HIS A 73 3.471 34.444 11.850 1.00 26.75 C ATOM 799 NE2 HIS A 73 2.548 34.028 12.708 1.00 26.74 N ATOM 800 HA HIS A 73 6.284 30.412 14.244 1.00 0.00 H ATOM 801 HB2 HIS A 73 5.663 32.738 15.040 1.00 0.00 H ATOM 802 HB3 HIS A 73 6.520 32.731 13.480 1.00 0.00 H ATOM 803 HD2 HIS A 73 2.662 32.782 14.505 1.00 0.00 H ATOM 804 HE1 HIS A 73 3.292 35.075 10.980 1.00 0.00 H ATOM 805 HN3 HIS A 73 4.375 31.083 12.126 1.00 0.00 H ATOM 806 HN2 HIS A 73 5.077 29.566 12.425 1.00 0.00 H ATOM 807 HN1 HIS A 73 6.051 30.873 11.947 1.00 0.00 H ATOM 808 N ILE A 74 3.049 30.340 14.193 1.00 23.65 N ATOM 809 CA ILE A 74 1.885 30.016 15.014 1.00 22.89 C ATOM 810 C ILE A 74 1.604 28.533 15.109 1.00 22.96 C ATOM 811 O ILE A 74 1.407 27.857 14.108 1.00 22.60 O ATOM 812 CB ILE A 74 0.596 30.713 14.506 1.00 23.63 C ATOM 813 CG1 ILE A 74 0.751 32.207 14.703 1.00 23.59 C ATOM 814 CG2 ILE A 74 -0.653 30.223 15.284 1.00 23.41 C ATOM 815 CD1 ILE A 74 -0.443 33.056 14.217 1.00 24.07 C ATOM 816 HA ILE A 74 2.149 30.387 16.005 1.00 0.00 H ATOM 817 HB ILE A 74 0.455 30.470 13.453 1.00 0.00 H ATOM 818 HG12 ILE A 74 0.889 32.396 15.768 1.00 0.00 H ATOM 819 HG13 ILE A 74 1.639 32.530 14.160 1.00 0.00 H ATOM 820 HD11 ILE A 74 -0.591 32.895 13.149 1.00 0.00 H ATOM 821 HD12 ILE A 74 -1.342 32.760 14.758 1.00 0.00 H ATOM 822 HD13 ILE A 74 -0.236 34.110 14.401 1.00 0.00 H ATOM 823 HG21 ILE A 74 -0.764 29.147 15.150 1.00 0.00 H ATOM 824 HG22 ILE A 74 -0.531 30.448 16.344 1.00 0.00 H ATOM 825 HG23 ILE A 74 -1.539 30.731 14.903 1.00 0.00 H ATOM 826 H ILE A 74 2.966 30.380 13.157 1.00 0.00 H ATOM 827 N VAL A 75 1.535 28.069 16.354 1.00 22.30 N ATOM 828 CA VAL A 75 1.246 26.676 16.684 1.00 21.61 C ATOM 829 C VAL A 75 -0.160 26.573 17.282 1.00 21.96 C ATOM 830 O VAL A 75 -0.513 27.256 18.272 1.00 21.60 O ATOM 831 CB VAL A 75 2.289 26.109 17.675 1.00 21.86 C ATOM 832 CG1 VAL A 75 1.917 24.720 18.083 1.00 21.83 C ATOM 833 CG2 VAL A 75 3.691 26.104 17.011 1.00 21.85 C ATOM 834 HA VAL A 75 1.298 26.086 15.769 1.00 0.00 H ATOM 835 HB VAL A 75 2.311 26.740 18.563 1.00 0.00 H ATOM 836 HG11 VAL A 75 0.939 24.734 18.564 1.00 0.00 H ATOM 837 HG12 VAL A 75 1.880 24.081 17.201 1.00 0.00 H ATOM 838 HG13 VAL A 75 2.661 24.336 18.780 1.00 0.00 H ATOM 839 HG21 VAL A 75 3.666 25.482 16.116 1.00 0.00 H ATOM 840 HG22 VAL A 75 3.966 27.123 16.739 1.00 0.00 H ATOM 841 HG23 VAL A 75 4.423 25.704 17.713 1.00 0.00 H ATOM 842 H VAL A 75 1.696 28.736 17.136 1.00 0.00 H ATOM 843 N TYR A 76 -0.982 25.762 16.627 1.00 21.98 N ATOM 844 CA TYR A 76 -2.345 25.521 17.061 1.00 21.61 C ATOM 845 C TYR A 76 -2.411 24.253 17.906 1.00 21.31 C ATOM 846 O TYR A 76 -2.128 23.165 17.417 1.00 21.57 O ATOM 847 CB TYR A 76 -3.259 25.384 15.846 1.00 22.53 C ATOM 848 CG TYR A 76 -3.545 26.705 15.185 1.00 23.33 C ATOM 849 CD1 TYR A 76 -4.309 27.676 15.833 1.00 23.55 C ATOM 850 CD2 TYR A 76 -3.004 27.010 13.943 1.00 23.76 C ATOM 851 CE1 TYR A 76 -4.527 28.934 15.255 1.00 24.23 C ATOM 852 CE2 TYR A 76 -3.209 28.263 13.345 1.00 24.40 C ATOM 853 CZ TYR A 76 -3.972 29.226 14.014 1.00 24.46 C ATOM 854 OH TYR A 76 -4.160 30.475 13.455 1.00 25.01 O ATOM 855 HA TYR A 76 -2.678 26.365 17.666 1.00 0.00 H ATOM 856 HB3 TYR A 76 -4.202 24.942 16.167 1.00 0.00 H ATOM 857 HB2 TYR A 76 -2.780 24.727 15.120 1.00 0.00 H ATOM 858 HD2 TYR A 76 -2.408 26.261 13.422 1.00 0.00 H ATOM 859 HE2 TYR A 76 -2.778 28.484 12.369 1.00 0.00 H ATOM 860 HE1 TYR A 76 -5.128 29.679 15.775 1.00 0.00 H ATOM 861 HD1 TYR A 76 -4.744 27.452 16.807 1.00 0.00 H ATOM 862 HH TYR A 76 -4.720 31.025 14.059 1.00 0.00 H ATOM 863 H TYR A 76 -0.636 25.282 15.772 1.00 0.00 H ATOM 864 N CYS A 77 -2.762 24.398 19.181 1.00 20.76 N ATOM 865 CA CYS A 77 -2.819 23.227 20.040 1.00 19.86 C ATOM 866 C CYS A 77 -4.185 22.798 20.592 1.00 19.19 C ATOM 867 O CYS A 77 -4.239 21.990 21.456 1.00 18.56 O ATOM 868 CB CYS A 77 -1.793 23.343 21.193 1.00 20.37 C ATOM 869 SG CYS A 77 -1.350 25.000 21.853 1.00 20.56 S ATOM 870 HA CYS A 77 -2.567 22.421 19.351 1.00 0.00 H ATOM 871 HB2 CYS A 77 -0.869 22.885 20.841 1.00 0.00 H ATOM 872 HB3 CYS A 77 -2.189 22.765 22.028 1.00 0.00 H ATOM 873 HG CYS A 77 -2.483 25.615 22.345 1.00 0.00 H ATOM 874 H CYS A 77 -2.993 25.339 19.559 1.00 0.00 H ATOM 875 N SER A 78 -5.284 23.357 20.095 1.00 18.80 N ATOM 876 CA SER A 78 -6.597 22.933 20.581 1.00 18.61 C ATOM 877 C SER A 78 -6.829 21.510 20.105 1.00 18.16 C ATOM 878 O SER A 78 -6.296 21.091 19.074 1.00 18.43 O ATOM 879 CB SER A 78 -7.724 23.787 20.010 1.00 18.55 C ATOM 880 OG SER A 78 -7.652 25.136 20.421 1.00 18.59 O ATOM 881 HA SER A 78 -6.603 23.026 21.667 1.00 0.00 H ATOM 882 HB2 SER A 78 -8.677 23.373 20.340 1.00 0.00 H ATOM 883 HB3 SER A 78 -7.671 23.751 18.922 1.00 0.00 H ATOM 884 HG SER A 78 -7.708 25.182 21.408 1.00 0.00 H ATOM 885 H SER A 78 -5.211 24.093 19.364 1.00 0.00 H ATOM 886 N ASN A 79 -7.649 20.788 20.851 1.00 17.95 N ATOM 887 CA ASN A 79 -7.982 19.420 20.520 1.00 17.81 C ATOM 888 C ASN A 79 -6.758 18.533 20.431 1.00 17.87 C ATOM 889 O ASN A 79 -6.755 17.534 19.723 1.00 17.99 O ATOM 890 CB ASN A 79 -8.790 19.395 19.218 1.00 17.90 C ATOM 891 CG ASN A 79 -9.952 20.359 19.257 1.00 17.95 C ATOM 892 OD1 ASN A 79 -10.713 20.384 20.221 1.00 17.90 O ATOM 893 ND2 ASN A 79 -10.091 21.167 18.212 1.00 18.15 N ATOM 894 HA ASN A 79 -8.590 19.012 21.327 1.00 0.00 H ATOM 895 HB2 ASN A 79 -8.134 19.667 18.391 1.00 0.00 H ATOM 896 HB3 ASN A 79 -9.173 18.387 19.060 1.00 0.00 H ATOM 897 HD22 ASN A 79 -9.422 21.110 17.418 1.00 0.00 H ATOM 898 HD21 ASN A 79 -10.869 21.857 18.188 1.00 0.00 H ATOM 899 H ASN A 79 -8.067 21.217 21.701 1.00 0.00 H ATOM 900 N ASP A 80 -5.721 18.917 21.172 1.00 17.85 N ATOM 901 CA ASP A 80 -4.486 18.167 21.214 1.00 17.63 C ATOM 902 C ASP A 80 -3.892 18.246 22.607 1.00 17.40 C ATOM 903 O ASP A 80 -4.070 19.206 23.325 1.00 17.14 O ATOM 904 CB ASP A 80 -3.462 18.736 20.239 1.00 17.78 C ATOM 905 CG ASP A 80 -2.232 17.852 20.107 1.00 18.35 C ATOM 906 OD1 ASP A 80 -2.313 16.866 19.347 1.00 18.04 O ATOM 907 OD2 ASP A 80 -1.199 18.116 20.768 1.00 18.34 O ATOM 908 HA ASP A 80 -4.714 17.137 20.941 1.00 0.00 H ATOM 909 HB2 ASP A 80 -3.929 18.835 19.259 1.00 0.00 H ATOM 910 HB3 ASP A 80 -3.150 19.719 20.592 1.00 0.00 H ATOM 911 H ASP A 80 -5.802 19.785 21.739 1.00 0.00 H ATOM 912 N LEU A 81 -3.174 17.198 22.960 1.00 17.53 N ATOM 913 CA LEU A 81 -2.505 17.110 24.239 1.00 17.41 C ATOM 914 C LEU A 81 -1.749 18.392 24.605 1.00 17.14 C ATOM 915 O LEU A 81 -1.785 18.838 25.726 1.00 16.79 O ATOM 916 CB LEU A 81 -1.526 15.958 24.192 1.00 18.41 C ATOM 917 CG LEU A 81 -1.009 15.574 25.564 1.00 19.37 C ATOM 918 CD1 LEU A 81 -1.917 14.495 26.142 1.00 20.56 C ATOM 919 CD2 LEU A 81 0.416 15.078 25.453 1.00 19.97 C ATOM 920 HA LEU A 81 -3.269 16.957 25.001 1.00 0.00 H ATOM 921 HB2 LEU A 81 -2.024 15.094 23.752 1.00 0.00 H ATOM 922 HB3 LEU A 81 -0.680 16.244 23.568 1.00 0.00 H ATOM 923 HG LEU A 81 -1.015 16.439 26.227 1.00 0.00 H ATOM 924 HD21 LEU A 81 0.446 14.207 24.799 1.00 0.00 H ATOM 925 HD22 LEU A 81 1.043 15.867 25.038 1.00 0.00 H ATOM 926 HD23 LEU A 81 0.782 14.804 26.442 1.00 0.00 H ATOM 927 HD11 LEU A 81 -2.933 14.882 26.223 1.00 0.00 H ATOM 928 HD12 LEU A 81 -1.909 13.625 25.485 1.00 0.00 H ATOM 929 HD13 LEU A 81 -1.556 14.209 27.130 1.00 0.00 H ATOM 930 H LEU A 81 -3.085 16.405 22.293 1.00 0.00 H ATOM 931 N LEU A 82 -1.055 18.976 23.641 1.00 16.35 N ATOM 932 CA LEU A 82 -0.301 20.192 23.933 1.00 16.15 C ATOM 933 C LEU A 82 -1.185 21.316 24.473 1.00 16.33 C ATOM 934 O LEU A 82 -0.733 22.163 25.214 1.00 16.21 O ATOM 935 CB LEU A 82 0.441 20.657 22.688 1.00 15.78 C ATOM 936 CG LEU A 82 1.433 21.806 22.901 1.00 15.73 C ATOM 937 CD1 LEU A 82 2.525 21.409 23.916 1.00 15.28 C ATOM 938 CD2 LEU A 82 2.041 22.190 21.554 1.00 15.98 C ATOM 939 HA LEU A 82 0.415 19.946 24.717 1.00 0.00 H ATOM 940 HB2 LEU A 82 0.993 19.806 22.288 1.00 0.00 H ATOM 941 HB3 LEU A 82 -0.299 20.983 21.958 1.00 0.00 H ATOM 942 HG LEU A 82 0.910 22.668 23.315 1.00 0.00 H ATOM 943 HD21 LEU A 82 2.559 21.329 21.132 1.00 0.00 H ATOM 944 HD22 LEU A 82 1.248 22.507 20.876 1.00 0.00 H ATOM 945 HD23 LEU A 82 2.748 23.007 21.696 1.00 0.00 H ATOM 946 HD11 LEU A 82 2.060 21.165 24.871 1.00 0.00 H ATOM 947 HD12 LEU A 82 3.068 20.541 23.542 1.00 0.00 H ATOM 948 HD13 LEU A 82 3.216 22.242 24.049 1.00 0.00 H ATOM 949 H LEU A 82 -1.047 18.572 22.683 1.00 0.00 H ATOM 950 N GLY A 83 -2.450 21.314 24.071 1.00 16.41 N ATOM 951 CA GLY A 83 -3.361 22.330 24.553 1.00 17.06 C ATOM 952 C GLY A 83 -3.678 22.084 26.024 1.00 17.31 C ATOM 953 O GLY A 83 -3.802 23.026 26.806 1.00 17.33 O ATOM 954 HA3 GLY A 83 -4.283 22.294 23.973 1.00 0.00 H ATOM 955 HA2 GLY A 83 -2.901 23.312 24.441 1.00 0.00 H ATOM 956 H GLY A 83 -2.786 20.584 23.411 1.00 0.00 H ATOM 957 N ASP A 84 -3.822 20.817 26.408 1.00 17.53 N ATOM 958 CA ASP A 84 -4.097 20.497 27.813 1.00 18.18 C ATOM 959 C ASP A 84 -2.881 20.900 28.653 1.00 17.98 C ATOM 960 O ASP A 84 -2.995 21.234 29.824 1.00 18.54 O ATOM 961 CB ASP A 84 -4.386 18.998 28.005 1.00 18.43 C ATOM 962 CG ASP A 84 -5.624 18.528 27.246 1.00 19.08 C ATOM 963 OD1 ASP A 84 -6.715 19.102 27.432 1.00 19.96 O ATOM 964 OD2 ASP A 84 -5.505 17.568 26.464 1.00 19.94 O ATOM 965 HA ASP A 84 -4.983 21.047 28.131 1.00 0.00 H ATOM 966 HB2 ASP A 84 -3.525 18.430 27.652 1.00 0.00 H ATOM 967 HB3 ASP A 84 -4.536 18.806 29.067 1.00 0.00 H ATOM 968 H ASP A 84 -3.739 20.051 25.709 1.00 0.00 H ATOM 969 N LEU A 85 -1.711 20.860 28.033 1.00 17.67 N ATOM 970 CA LEU A 85 -0.475 21.241 28.709 1.00 17.13 C ATOM 971 C LEU A 85 -0.326 22.743 28.880 1.00 16.79 C ATOM 972 O LEU A 85 -0.007 23.226 29.944 1.00 15.83 O ATOM 973 CB LEU A 85 0.721 20.784 27.911 1.00 17.48 C ATOM 974 CG LEU A 85 1.164 19.340 28.095 1.00 18.00 C ATOM 975 CD1 LEU A 85 2.192 18.964 27.043 1.00 18.47 C ATOM 976 CD2 LEU A 85 1.733 19.150 29.516 1.00 18.25 C ATOM 977 HA LEU A 85 -0.524 20.767 29.690 1.00 0.00 H ATOM 978 HB2 LEU A 85 0.486 20.924 26.856 1.00 0.00 H ATOM 979 HB3 LEU A 85 1.561 21.423 28.182 1.00 0.00 H ATOM 980 HG LEU A 85 0.304 18.681 27.973 1.00 0.00 H ATOM 981 HD21 LEU A 85 2.588 19.812 29.655 1.00 0.00 H ATOM 982 HD22 LEU A 85 0.963 19.389 30.249 1.00 0.00 H ATOM 983 HD23 LEU A 85 2.049 18.115 29.644 1.00 0.00 H ATOM 984 HD11 LEU A 85 1.754 19.078 26.052 1.00 0.00 H ATOM 985 HD12 LEU A 85 3.060 19.617 27.135 1.00 0.00 H ATOM 986 HD13 LEU A 85 2.498 17.928 27.190 1.00 0.00 H ATOM 987 H LEU A 85 -1.672 20.550 27.041 1.00 0.00 H ATOM 988 N PHE A 86 -0.561 23.473 27.798 1.00 16.62 N ATOM 989 CA PHE A 86 -0.401 24.917 27.828 1.00 16.70 C ATOM 990 C PHE A 86 -1.589 25.752 28.264 1.00 17.39 C ATOM 991 O PHE A 86 -1.417 26.873 28.686 1.00 17.49 O ATOM 992 CB PHE A 86 0.150 25.406 26.467 1.00 16.54 C ATOM 993 CG PHE A 86 1.594 25.045 26.239 1.00 16.92 C ATOM 994 CD1 PHE A 86 2.302 24.365 27.215 1.00 17.04 C ATOM 995 CD2 PHE A 86 2.236 25.363 25.049 1.00 16.95 C ATOM 996 CE1 PHE A 86 3.616 24.000 27.022 1.00 16.73 C ATOM 997 CE2 PHE A 86 3.560 25.007 24.834 1.00 16.77 C ATOM 998 CZ PHE A 86 4.258 24.314 25.834 1.00 17.06 C ATOM 999 HA PHE A 86 0.309 25.085 28.637 1.00 0.00 H ATOM 1000 HB2 PHE A 86 -0.447 24.959 25.672 1.00 0.00 H ATOM 1001 HB3 PHE A 86 0.055 26.491 26.426 1.00 0.00 H ATOM 1002 HD2 PHE A 86 1.692 25.900 24.272 1.00 0.00 H ATOM 1003 HE2 PHE A 86 4.053 25.264 23.896 1.00 0.00 H ATOM 1004 HZ PHE A 86 5.297 24.025 25.678 1.00 0.00 H ATOM 1005 HE1 PHE A 86 4.152 23.463 27.805 1.00 0.00 H ATOM 1006 HD1 PHE A 86 1.810 24.114 28.155 1.00 0.00 H ATOM 1007 H PHE A 86 -0.863 23.007 26.919 1.00 0.00 H ATOM 1008 N GLY A 87 -2.791 25.199 28.157 1.00 17.41 N ATOM 1009 CA GLY A 87 -3.965 25.942 28.573 1.00 17.56 C ATOM 1010 C GLY A 87 -4.328 27.096 27.652 1.00 17.61 C ATOM 1011 O GLY A 87 -4.901 28.110 28.075 1.00 17.54 O ATOM 1012 HA3 GLY A 87 -3.781 26.344 29.569 1.00 0.00 H ATOM 1013 HA2 GLY A 87 -4.810 25.255 28.610 1.00 0.00 H ATOM 1014 H GLY A 87 -2.891 24.236 27.776 1.00 0.00 H ATOM 1015 N VAL A 88 -3.979 26.945 26.380 1.00 17.33 N ATOM 1016 CA VAL A 88 -4.274 27.950 25.351 1.00 17.27 C ATOM 1017 C VAL A 88 -4.523 27.204 24.042 1.00 17.32 C ATOM 1018 O VAL A 88 -3.986 26.140 23.838 1.00 16.67 O ATOM 1019 CB VAL A 88 -3.073 28.933 25.123 1.00 17.20 C ATOM 1020 CG1 VAL A 88 -2.845 29.788 26.363 1.00 17.66 C ATOM 1021 CG2 VAL A 88 -1.808 28.141 24.775 1.00 17.37 C ATOM 1022 HA VAL A 88 -5.135 28.535 25.674 1.00 0.00 H ATOM 1023 HB VAL A 88 -3.311 29.595 24.290 1.00 0.00 H ATOM 1024 HG11 VAL A 88 -3.744 30.367 26.574 1.00 0.00 H ATOM 1025 HG12 VAL A 88 -2.620 29.142 27.212 1.00 0.00 H ATOM 1026 HG13 VAL A 88 -2.008 30.464 26.188 1.00 0.00 H ATOM 1027 HG21 VAL A 88 -1.568 27.464 25.595 1.00 0.00 H ATOM 1028 HG22 VAL A 88 -1.980 27.566 23.865 1.00 0.00 H ATOM 1029 HG23 VAL A 88 -0.980 28.832 24.619 1.00 0.00 H ATOM 1030 H VAL A 88 -3.476 26.079 26.101 1.00 0.00 H ATOM 1031 N PRO A 89 -5.333 27.776 23.137 1.00 17.61 N ATOM 1032 CA PRO A 89 -5.614 27.123 21.860 1.00 17.87 C ATOM 1033 C PRO A 89 -4.517 27.374 20.835 1.00 17.73 C ATOM 1034 O PRO A 89 -4.431 26.677 19.863 1.00 17.90 O ATOM 1035 CB PRO A 89 -6.931 27.748 21.443 1.00 18.22 C ATOM 1036 CG PRO A 89 -6.737 29.165 21.852 1.00 18.30 C ATOM 1037 CD PRO A 89 -6.092 29.032 23.252 1.00 17.98 C ATOM 1038 HA PRO A 89 -5.661 26.037 21.939 1.00 0.00 H ATOM 1039 HD3 PRO A 89 -5.432 29.873 23.463 1.00 0.00 H ATOM 1040 HD2 PRO A 89 -6.852 28.963 24.031 1.00 0.00 H ATOM 1041 HG3 PRO A 89 -7.689 29.692 21.907 1.00 0.00 H ATOM 1042 HG2 PRO A 89 -6.074 29.686 21.162 1.00 0.00 H ATOM 1043 HB2 PRO A 89 -7.089 27.663 20.368 1.00 0.00 H ATOM 1044 HB3 PRO A 89 -7.771 27.294 21.969 1.00 0.00 H ATOM 1045 N SER A 90 -3.687 28.386 21.071 1.00 17.83 N ATOM 1046 CA SER A 90 -2.605 28.688 20.137 1.00 17.74 C ATOM 1047 C SER A 90 -1.538 29.613 20.725 1.00 17.17 C ATOM 1048 O SER A 90 -1.777 30.321 21.712 1.00 17.51 O ATOM 1049 CB SER A 90 -3.162 29.344 18.878 1.00 17.79 C ATOM 1050 OG SER A 90 -3.423 30.714 19.131 1.00 18.54 O ATOM 1051 HA SER A 90 -2.134 27.732 19.908 1.00 0.00 H ATOM 1052 HB2 SER A 90 -4.087 28.846 18.588 1.00 0.00 H ATOM 1053 HB3 SER A 90 -2.435 29.256 18.071 1.00 0.00 H ATOM 1054 HG SER A 90 -2.582 31.166 19.394 1.00 0.00 H ATOM 1055 H SER A 90 -3.809 28.966 21.926 1.00 0.00 H ATOM 1056 N PHE A 91 -0.363 29.624 20.106 1.00 16.59 N ATOM 1057 CA PHE A 91 0.726 30.480 20.571 1.00 16.40 C ATOM 1058 C PHE A 91 1.777 30.635 19.477 1.00 16.23 C ATOM 1059 O PHE A 91 1.756 29.925 18.503 1.00 15.86 O ATOM 1060 CB PHE A 91 1.366 29.890 21.832 1.00 16.25 C ATOM 1061 CG PHE A 91 2.076 28.582 21.601 1.00 16.05 C ATOM 1062 CD1 PHE A 91 3.397 28.554 21.162 1.00 15.92 C ATOM 1063 CD2 PHE A 91 1.422 27.381 21.821 1.00 15.90 C ATOM 1064 CE1 PHE A 91 4.054 27.342 20.945 1.00 16.24 C ATOM 1065 CE2 PHE A 91 2.063 26.161 21.607 1.00 15.91 C ATOM 1066 CZ PHE A 91 3.387 26.145 21.167 1.00 15.81 C ATOM 1067 HA PHE A 91 0.318 31.462 20.811 1.00 0.00 H ATOM 1068 HB2 PHE A 91 2.088 30.609 22.219 1.00 0.00 H ATOM 1069 HB3 PHE A 91 0.582 29.729 22.572 1.00 0.00 H ATOM 1070 HD2 PHE A 91 0.389 27.390 22.167 1.00 0.00 H ATOM 1071 HE2 PHE A 91 1.533 25.225 21.783 1.00 0.00 H ATOM 1072 HZ PHE A 91 3.896 25.196 20.998 1.00 0.00 H ATOM 1073 HE1 PHE A 91 5.089 27.335 20.602 1.00 0.00 H ATOM 1074 HD1 PHE A 91 3.925 29.491 20.985 1.00 0.00 H ATOM 1075 H PHE A 91 -0.216 29.014 19.277 1.00 0.00 H ATOM 1076 N SER A 92 2.686 31.588 19.654 1.00 16.12 N ATOM 1077 CA SER A 92 3.734 31.822 18.670 1.00 16.34 C ATOM 1078 C SER A 92 5.061 31.258 19.160 1.00 16.23 C ATOM 1079 O SER A 92 5.408 31.429 20.295 1.00 15.53 O ATOM 1080 CB SER A 92 3.890 33.320 18.400 1.00 16.55 C ATOM 1081 OG SER A 92 5.064 33.561 17.644 1.00 17.05 O ATOM 1082 HA SER A 92 3.449 31.318 17.747 1.00 0.00 H ATOM 1083 HB2 SER A 92 3.957 33.852 19.349 1.00 0.00 H ATOM 1084 HB3 SER A 92 3.023 33.678 17.844 1.00 0.00 H ATOM 1085 HG SER A 92 5.153 34.533 17.476 1.00 0.00 H ATOM 1086 H SER A 92 2.648 32.177 20.510 1.00 0.00 H ATOM 1087 N VAL A 93 5.797 30.599 18.271 1.00 16.28 N ATOM 1088 CA VAL A 93 7.089 30.021 18.641 1.00 17.02 C ATOM 1089 C VAL A 93 8.153 31.074 18.940 1.00 16.98 C ATOM 1090 O VAL A 93 9.241 30.754 19.389 1.00 17.22 O ATOM 1091 CB VAL A 93 7.646 29.132 17.532 1.00 16.95 C ATOM 1092 CG1 VAL A 93 6.708 27.969 17.286 1.00 17.03 C ATOM 1093 CG2 VAL A 93 7.842 29.957 16.250 1.00 16.92 C ATOM 1094 HA VAL A 93 6.883 29.443 19.542 1.00 0.00 H ATOM 1095 HB VAL A 93 8.614 28.735 17.837 1.00 0.00 H ATOM 1096 HG11 VAL A 93 6.608 27.385 18.201 1.00 0.00 H ATOM 1097 HG12 VAL A 93 5.731 28.349 16.987 1.00 0.00 H ATOM 1098 HG13 VAL A 93 7.112 27.339 16.493 1.00 0.00 H ATOM 1099 HG21 VAL A 93 6.883 30.369 15.934 1.00 0.00 H ATOM 1100 HG22 VAL A 93 8.541 30.770 16.446 1.00 0.00 H ATOM 1101 HG23 VAL A 93 8.240 29.315 15.464 1.00 0.00 H ATOM 1102 H VAL A 93 5.449 30.493 17.297 1.00 0.00 H ATOM 1103 N LYS A 94 7.826 32.329 18.665 1.00 17.79 N ATOM 1104 CA LYS A 94 8.749 33.435 18.886 1.00 18.64 C ATOM 1105 C LYS A 94 8.697 33.918 20.336 1.00 18.81 C ATOM 1106 O LYS A 94 9.644 34.528 20.819 1.00 19.02 O ATOM 1107 CB LYS A 94 8.399 34.612 17.948 1.00 19.26 C ATOM 1108 CG LYS A 94 8.526 34.291 16.477 1.00 20.19 C ATOM 1109 CD LYS A 94 9.809 33.512 16.197 1.00 20.93 C ATOM 1110 CE LYS A 94 10.757 34.236 15.257 1.00 21.62 C ATOM 1111 NZ LYS A 94 12.024 33.471 15.018 1.00 21.71 N ATOM 1112 HA LYS A 94 9.756 33.076 18.673 1.00 0.00 H ATOM 1113 HB2 LYS A 94 7.370 34.912 18.145 1.00 0.00 H ATOM 1114 HB3 LYS A 94 9.068 35.442 18.176 1.00 0.00 H ATOM 1115 HG2 LYS A 94 7.670 33.692 16.167 1.00 0.00 H ATOM 1116 HG3 LYS A 94 8.542 35.221 15.909 1.00 0.00 H ATOM 1117 HD2 LYS A 94 10.323 33.340 17.143 1.00 0.00 H ATOM 1118 HD3 LYS A 94 9.542 32.554 15.750 1.00 0.00 H ATOM 1119 HE2 LYS A 94 11.009 35.204 15.691 1.00 0.00 H ATOM 1120 HE3 LYS A 94 10.254 34.388 14.302 1.00 0.00 H ATOM 1121 HZ1 LYS A 94 12.517 33.327 15.923 1.00 0.00 H ATOM 1122 HZ2 LYS A 94 11.796 32.548 14.596 1.00 0.00 H ATOM 1123 HZ3 LYS A 94 12.635 34.008 14.370 1.00 0.00 H ATOM 1124 H LYS A 94 6.881 32.531 18.280 1.00 0.00 H ATOM 1125 N GLU A 95 7.568 33.677 20.999 1.00 18.95 N ATOM 1126 CA GLU A 95 7.367 34.097 22.380 1.00 18.91 C ATOM 1127 C GLU A 95 7.903 33.098 23.401 1.00 18.69 C ATOM 1128 O GLU A 95 7.151 32.471 24.152 1.00 18.18 O ATOM 1129 CB GLU A 95 5.879 34.362 22.606 1.00 19.98 C ATOM 1130 CG GLU A 95 5.306 35.273 21.513 1.00 21.85 C ATOM 1131 CD GLU A 95 3.961 35.902 21.833 1.00 22.95 C ATOM 1132 OE1 GLU A 95 3.028 35.179 22.225 1.00 23.91 O ATOM 1133 OE2 GLU A 95 3.832 37.136 21.653 1.00 23.90 O ATOM 1134 HA GLU A 95 7.942 35.010 22.535 1.00 0.00 H ATOM 1135 HB2 GLU A 95 5.343 33.413 22.596 1.00 0.00 H ATOM 1136 HB3 GLU A 95 5.746 34.842 23.575 1.00 0.00 H ATOM 1137 HG2 GLU A 95 6.020 36.077 21.335 1.00 0.00 H ATOM 1138 HG3 GLU A 95 5.194 34.681 20.605 1.00 0.00 H ATOM 1139 H GLU A 95 6.801 33.170 20.513 1.00 0.00 H ATOM 1140 N HIS A 96 9.222 32.998 23.450 1.00 18.18 N ATOM 1141 CA HIS A 96 9.897 32.086 24.355 1.00 18.08 C ATOM 1142 C HIS A 96 9.526 32.232 25.834 1.00 17.87 C ATOM 1143 O HIS A 96 9.193 31.255 26.474 1.00 18.29 O ATOM 1144 CB HIS A 96 11.401 32.226 24.163 1.00 17.44 C ATOM 1145 CG HIS A 96 11.856 31.962 22.755 1.00 17.61 C ATOM 1146 ND1 HIS A 96 13.186 31.938 22.400 1.00 17.49 N ATOM 1147 CD2 HIS A 96 11.163 31.698 21.620 1.00 17.17 C ATOM 1148 CE1 HIS A 96 13.296 31.670 21.112 1.00 17.12 C ATOM 1149 NE2 HIS A 96 12.082 31.520 20.614 1.00 17.38 N ATOM 1150 HA HIS A 96 9.553 31.086 24.090 1.00 0.00 H ATOM 1151 HB2 HIS A 96 11.690 33.241 24.434 1.00 0.00 H ATOM 1152 HB3 HIS A 96 11.900 31.519 24.825 1.00 0.00 H ATOM 1153 HD2 HIS A 96 10.079 31.638 21.523 1.00 0.00 H ATOM 1154 HE1 HIS A 96 14.229 31.587 20.555 1.00 0.00 H ATOM 1155 H HIS A 96 9.794 33.594 22.818 1.00 0.00 H ATOM 1156 N ARG A 97 9.573 33.451 26.366 1.00 18.04 N ATOM 1157 CA ARG A 97 9.239 33.660 27.774 1.00 18.06 C ATOM 1158 C ARG A 97 7.847 33.128 28.123 1.00 17.49 C ATOM 1159 O ARG A 97 7.671 32.477 29.150 1.00 17.19 O ATOM 1160 CB ARG A 97 9.364 35.150 28.159 1.00 18.92 C ATOM 1161 CG ARG A 97 10.629 35.529 28.919 1.00 20.69 C ATOM 1162 CD ARG A 97 11.887 34.841 28.341 1.00 21.96 C ATOM 1163 NE ARG A 97 12.527 33.813 29.145 1.00 23.13 N ATOM 1164 CZ ARG A 97 12.065 33.357 30.293 1.00 23.84 C ATOM 1165 NH1 ARG A 97 10.947 33.809 30.794 1.00 24.28 N ATOM 1166 NH2 ARG A 97 12.780 32.522 30.990 1.00 24.50 N ATOM 1167 HA ARG A 97 9.961 33.089 28.358 1.00 0.00 H ATOM 1168 HB2 ARG A 97 9.335 35.737 27.241 1.00 0.00 H ATOM 1169 HB3 ARG A 97 8.508 35.409 28.782 1.00 0.00 H ATOM 1170 HG2 ARG A 97 10.762 36.609 28.862 1.00 0.00 H ATOM 1171 HG3 ARG A 97 10.514 35.233 29.962 1.00 0.00 H ATOM 1172 HD2 ARG A 97 12.628 35.619 28.158 1.00 0.00 H ATOM 1173 HD3 ARG A 97 11.601 34.383 27.394 1.00 0.00 H ATOM 1174 HE ARG A 97 13.415 33.407 28.788 1.00 0.00 H ATOM 1175 HH12 ARG A 97 10.596 33.439 31.700 1.00 0.00 H ATOM 1176 HH11 ARG A 97 10.407 34.539 30.287 1.00 0.00 H ATOM 1177 HH22 ARG A 97 12.420 32.159 31.896 1.00 0.00 H ATOM 1178 HH21 ARG A 97 13.711 32.217 30.641 1.00 0.00 H ATOM 1179 H ARG A 97 9.849 34.261 25.776 1.00 0.00 H ATOM 1180 N LYS A 98 6.869 33.401 27.264 1.00 17.10 N ATOM 1181 CA LYS A 98 5.515 32.912 27.484 1.00 17.39 C ATOM 1182 C LYS A 98 5.564 31.394 27.420 1.00 16.99 C ATOM 1183 O LYS A 98 5.066 30.728 28.296 1.00 17.31 O ATOM 1184 CB LYS A 98 4.570 33.444 26.406 1.00 18.00 C ATOM 1185 CG LYS A 98 4.375 34.933 26.497 1.00 19.25 C ATOM 1186 CD LYS A 98 3.804 35.511 25.236 1.00 20.27 C ATOM 1187 CE LYS A 98 3.658 36.998 25.357 1.00 20.79 C ATOM 1188 NZ LYS A 98 2.251 37.359 25.091 1.00 21.40 N ATOM 1189 HA LYS A 98 5.145 33.251 28.451 1.00 0.00 H ATOM 1190 HB2 LYS A 98 4.985 33.204 25.427 1.00 0.00 H ATOM 1191 HB3 LYS A 98 3.602 32.957 26.518 1.00 0.00 H ATOM 1192 HG2 LYS A 98 3.694 35.148 27.321 1.00 0.00 H ATOM 1193 HG3 LYS A 98 5.339 35.402 26.692 1.00 0.00 H ATOM 1194 HD2 LYS A 98 4.469 35.282 24.403 1.00 0.00 H ATOM 1195 HD3 LYS A 98 2.825 35.069 25.050 1.00 0.00 H ATOM 1196 HE2 LYS A 98 4.307 37.491 24.633 1.00 0.00 H ATOM 1197 HE3 LYS A 98 3.934 37.313 26.363 1.00 0.00 H ATOM 1198 HZ1 LYS A 98 1.992 37.055 24.131 1.00 0.00 H ATOM 1199 HZ2 LYS A 98 1.636 36.886 25.783 1.00 0.00 H ATOM 1200 HZ3 LYS A 98 2.137 38.390 25.172 1.00 0.00 H ATOM 1201 H LYS A 98 7.075 33.974 26.421 1.00 0.00 H ATOM 1202 N ILE A 99 6.173 30.858 26.367 1.00 16.38 N ATOM 1203 CA ILE A 99 6.276 29.408 26.248 1.00 15.86 C ATOM 1204 C ILE A 99 6.857 28.808 27.526 1.00 16.41 C ATOM 1205 O ILE A 99 6.245 27.935 28.138 1.00 15.83 O ATOM 1206 CB ILE A 99 7.153 28.994 25.056 1.00 15.64 C ATOM 1207 CG1 ILE A 99 6.443 29.348 23.744 1.00 14.79 C ATOM 1208 CG2 ILE A 99 7.418 27.500 25.123 1.00 14.97 C ATOM 1209 CD1 ILE A 99 7.263 29.057 22.500 1.00 15.48 C ATOM 1210 HA ILE A 99 5.268 29.028 26.084 1.00 0.00 H ATOM 1211 HB ILE A 99 8.102 29.528 25.096 1.00 0.00 H ATOM 1212 HG12 ILE A 99 5.519 28.773 23.688 1.00 0.00 H ATOM 1213 HG13 ILE A 99 6.207 30.412 23.758 1.00 0.00 H ATOM 1214 HD11 ILE A 99 8.187 29.634 22.532 1.00 0.00 H ATOM 1215 HD12 ILE A 99 7.499 27.993 22.462 1.00 0.00 H ATOM 1216 HD13 ILE A 99 6.690 29.335 21.615 1.00 0.00 H ATOM 1217 HG21 ILE A 99 7.933 27.265 26.055 1.00 0.00 H ATOM 1218 HG22 ILE A 99 6.471 26.962 25.084 1.00 0.00 H ATOM 1219 HG23 ILE A 99 8.040 27.204 24.278 1.00 0.00 H ATOM 1220 H ILE A 99 6.575 31.471 25.630 1.00 0.00 H ATOM 1221 N TYR A 100 8.042 29.273 27.919 1.00 16.41 N ATOM 1222 CA TYR A 100 8.679 28.783 29.142 1.00 16.61 C ATOM 1223 C TYR A 100 7.676 28.732 30.302 1.00 16.84 C ATOM 1224 O TYR A 100 7.573 27.716 31.010 1.00 16.91 O ATOM 1225 CB TYR A 100 9.856 29.686 29.553 1.00 16.89 C ATOM 1226 CG TYR A 100 11.209 29.289 28.997 1.00 17.13 C ATOM 1227 CD1 TYR A 100 11.718 28.013 29.216 1.00 17.03 C ATOM 1228 CD2 TYR A 100 11.984 30.189 28.253 1.00 17.45 C ATOM 1229 CE1 TYR A 100 12.946 27.632 28.712 1.00 17.40 C ATOM 1230 CE2 TYR A 100 13.223 29.813 27.743 1.00 17.27 C ATOM 1231 CZ TYR A 100 13.694 28.525 27.976 1.00 17.40 C ATOM 1232 OH TYR A 100 14.896 28.097 27.466 1.00 18.02 O ATOM 1233 HA TYR A 100 9.046 27.779 28.930 1.00 0.00 H ATOM 1234 HB3 TYR A 100 9.924 29.676 30.641 1.00 0.00 H ATOM 1235 HB2 TYR A 100 9.637 30.698 29.214 1.00 0.00 H ATOM 1236 HD2 TYR A 100 11.611 31.197 28.071 1.00 0.00 H ATOM 1237 HE2 TYR A 100 13.819 30.521 27.167 1.00 0.00 H ATOM 1238 HE1 TYR A 100 13.323 26.626 28.896 1.00 0.00 H ATOM 1239 HD1 TYR A 100 11.135 27.299 29.798 1.00 0.00 H ATOM 1240 HH TYR A 100 15.624 28.671 27.814 1.00 0.00 H ATOM 1241 H TYR A 100 8.523 29.997 27.347 1.00 0.00 H ATOM 1242 N THR A 101 6.927 29.818 30.495 1.00 16.93 N ATOM 1243 CA THR A 101 5.967 29.860 31.602 1.00 16.69 C ATOM 1244 C THR A 101 4.921 28.761 31.511 1.00 16.55 C ATOM 1245 O THR A 101 4.539 28.209 32.509 1.00 16.71 O ATOM 1246 CB THR A 101 5.235 31.228 31.744 1.00 17.11 C ATOM 1247 OG1 THR A 101 4.304 31.410 30.667 1.00 17.62 O ATOM 1248 CG2 THR A 101 6.245 32.375 31.758 1.00 17.25 C ATOM 1249 HA THR A 101 6.583 29.705 32.488 1.00 0.00 H ATOM 1250 HB THR A 101 4.689 31.229 32.687 1.00 0.00 H ATOM 1251 HG1 THR A 101 4.791 31.392 29.805 1.00 0.00 H ATOM 1252 HG23 THR A 101 6.948 32.229 32.578 1.00 0.00 H ATOM 1253 HG21 THR A 101 6.787 32.392 30.812 1.00 0.00 H ATOM 1254 HG22 THR A 101 5.718 33.320 31.893 1.00 0.00 H ATOM 1255 H THR A 101 7.024 30.636 29.860 1.00 0.00 H ATOM 1256 N MET A 102 4.474 28.445 30.304 1.00 16.24 N ATOM 1257 CA MET A 102 3.487 27.388 30.132 1.00 15.72 C ATOM 1258 C MET A 102 4.122 26.015 30.318 1.00 15.32 C ATOM 1259 O MET A 102 3.489 25.097 30.779 1.00 15.21 O ATOM 1260 CB MET A 102 2.831 27.478 28.747 1.00 16.27 C ATOM 1261 CG MET A 102 2.214 28.837 28.458 1.00 16.79 C ATOM 1262 SD MET A 102 1.134 28.864 27.031 1.00 17.72 S ATOM 1263 CE MET A 102 2.263 29.100 25.715 1.00 17.73 C ATOM 1264 HA MET A 102 2.719 27.522 30.894 1.00 0.00 H ATOM 1265 HB2 MET A 102 3.590 27.275 27.991 1.00 0.00 H ATOM 1266 HB3 MET A 102 2.048 26.723 28.686 1.00 0.00 H ATOM 1267 HG2 MET A 102 3.021 29.550 28.290 1.00 0.00 H ATOM 1268 HG3 MET A 102 1.636 29.143 29.330 1.00 0.00 H ATOM 1269 HE1 MET A 102 2.798 30.038 25.861 1.00 0.00 H ATOM 1270 HE2 MET A 102 2.974 28.274 25.695 1.00 0.00 H ATOM 1271 HE3 MET A 102 1.718 29.135 24.772 1.00 0.00 H ATOM 1272 H MET A 102 4.831 28.957 29.472 1.00 0.00 H ATOM 1273 N ILE A 103 5.387 25.883 29.941 1.00 15.20 N ATOM 1274 CA ILE A 103 6.061 24.606 30.126 1.00 14.86 C ATOM 1275 C ILE A 103 6.256 24.398 31.625 1.00 15.28 C ATOM 1276 O ILE A 103 6.005 23.338 32.152 1.00 14.47 O ATOM 1277 CB ILE A 103 7.452 24.591 29.451 1.00 15.36 C ATOM 1278 CG1 ILE A 103 7.284 24.696 27.940 1.00 15.14 C ATOM 1279 CG2 ILE A 103 8.220 23.343 29.828 1.00 15.12 C ATOM 1280 CD1 ILE A 103 8.584 24.878 27.212 1.00 15.93 C ATOM 1281 HA ILE A 103 5.454 23.820 29.676 1.00 0.00 H ATOM 1282 HB ILE A 103 8.028 25.447 29.802 1.00 0.00 H ATOM 1283 HG12 ILE A 103 6.810 23.783 27.580 1.00 0.00 H ATOM 1284 HG13 ILE A 103 6.642 25.549 27.721 1.00 0.00 H ATOM 1285 HD11 ILE A 103 9.066 25.794 27.555 1.00 0.00 H ATOM 1286 HD12 ILE A 103 9.234 24.027 27.413 1.00 0.00 H ATOM 1287 HD13 ILE A 103 8.393 24.946 26.141 1.00 0.00 H ATOM 1288 HG21 ILE A 103 8.354 23.313 30.909 1.00 0.00 H ATOM 1289 HG22 ILE A 103 7.663 22.464 29.505 1.00 0.00 H ATOM 1290 HG23 ILE A 103 9.195 23.357 29.340 1.00 0.00 H ATOM 1291 H ILE A 103 5.894 26.686 29.516 1.00 0.00 H ATOM 1292 N TYR A 104 6.703 25.455 32.295 1.00 15.54 N ATOM 1293 CA TYR A 104 6.970 25.388 33.728 1.00 16.10 C ATOM 1294 C TYR A 104 5.840 24.974 34.637 1.00 16.10 C ATOM 1295 O TYR A 104 6.091 24.394 35.698 1.00 16.46 O ATOM 1296 CB TYR A 104 7.529 26.703 34.243 1.00 16.18 C ATOM 1297 CG TYR A 104 8.937 26.963 33.809 1.00 17.10 C ATOM 1298 CD1 TYR A 104 9.763 25.918 33.420 1.00 17.89 C ATOM 1299 CD2 TYR A 104 9.440 28.260 33.755 1.00 17.34 C ATOM 1300 CE1 TYR A 104 11.060 26.141 32.980 1.00 17.81 C ATOM 1301 CE2 TYR A 104 10.732 28.505 33.319 1.00 17.89 C ATOM 1302 CZ TYR A 104 11.544 27.436 32.926 1.00 18.25 C ATOM 1303 OH TYR A 104 12.829 27.681 32.480 1.00 18.31 O ATOM 1304 HA TYR A 104 7.692 24.573 33.780 1.00 0.00 H ATOM 1305 HB3 TYR A 104 7.501 26.687 35.333 1.00 0.00 H ATOM 1306 HB2 TYR A 104 6.899 27.513 33.876 1.00 0.00 H ATOM 1307 HD2 TYR A 104 8.808 29.094 34.060 1.00 0.00 H ATOM 1308 HE2 TYR A 104 11.114 29.525 33.282 1.00 0.00 H ATOM 1309 HE1 TYR A 104 11.691 25.304 32.680 1.00 0.00 H ATOM 1310 HD1 TYR A 104 9.384 24.897 33.461 1.00 0.00 H ATOM 1311 HH TYR A 104 12.794 28.266 31.682 1.00 0.00 H ATOM 1312 H TYR A 104 6.866 26.348 31.788 1.00 0.00 H ATOM 1313 N ARG A 105 4.602 25.252 34.248 1.00 16.47 N ATOM 1314 CA ARG A 105 3.509 24.828 35.110 1.00 16.70 C ATOM 1315 C ARG A 105 3.352 23.329 35.129 1.00 16.30 C ATOM 1316 O ARG A 105 2.717 22.789 36.012 1.00 15.99 O ATOM 1317 CB ARG A 105 2.154 25.418 34.720 1.00 18.22 C ATOM 1318 CG ARG A 105 1.167 25.110 35.814 1.00 20.77 C ATOM 1319 CD ARG A 105 -0.121 25.898 35.585 1.00 22.48 C ATOM 1320 NE ARG A 105 -1.093 25.316 34.664 1.00 24.62 N ATOM 1321 CZ ARG A 105 -1.775 24.222 35.041 1.00 25.11 C ATOM 1322 NH1 ARG A 105 -1.531 23.642 36.279 1.00 25.56 N ATOM 1323 NH2 ARG A 105 -2.780 23.759 34.265 1.00 25.86 N ATOM 1324 HA ARG A 105 3.791 25.202 36.094 1.00 0.00 H ATOM 1325 HB2 ARG A 105 2.244 26.497 34.598 1.00 0.00 H ATOM 1326 HB3 ARG A 105 1.815 24.975 33.783 1.00 0.00 H ATOM 1327 HG2 ARG A 105 0.944 24.043 35.811 1.00 0.00 H ATOM 1328 HG3 ARG A 105 1.595 25.388 36.777 1.00 0.00 H ATOM 1329 HD2 ARG A 105 0.156 26.878 35.197 1.00 0.00 H ATOM 1330 HD3 ARG A 105 -0.612 26.017 36.551 1.00 0.00 H ATOM 1331 HE ARG A 105 -1.255 25.742 33.729 1.00 0.00 H ATOM 1332 HH12 ARG A 105 -2.060 22.795 36.570 1.00 0.00 H ATOM 1333 HH11 ARG A 105 -0.820 24.055 36.915 1.00 0.00 H ATOM 1334 HH22 ARG A 105 -3.311 22.912 34.552 1.00 0.00 H ATOM 1335 HH21 ARG A 105 -3.022 24.249 33.380 1.00 0.00 H ATOM 1336 H ARG A 105 4.419 25.756 33.357 1.00 0.00 H ATOM 1337 N ASN A 106 3.945 22.672 34.141 1.00 15.25 N ATOM 1338 CA ASN A 106 3.844 21.223 34.012 1.00 15.24 C ATOM 1339 C ASN A 106 5.045 20.392 34.473 1.00 15.18 C ATOM 1340 O ASN A 106 5.214 19.219 34.062 1.00 14.65 O ATOM 1341 CB ASN A 106 3.536 20.871 32.558 1.00 14.76 C ATOM 1342 CG ASN A 106 2.257 21.495 32.083 1.00 14.95 C ATOM 1343 OD1 ASN A 106 1.172 21.108 32.514 1.00 15.20 O ATOM 1344 ND2 ASN A 106 2.373 22.499 31.217 1.00 15.19 N ATOM 1345 HA ASN A 106 3.045 20.952 34.702 1.00 0.00 H ATOM 1346 HB2 ASN A 106 4.354 21.224 31.930 1.00 0.00 H ATOM 1347 HB3 ASN A 106 3.453 19.788 32.469 1.00 0.00 H ATOM 1348 HD22 ASN A 106 3.313 22.790 30.881 1.00 0.00 H ATOM 1349 HD21 ASN A 106 1.523 22.992 30.876 1.00 0.00 H ATOM 1350 H ASN A 106 4.497 23.205 33.439 1.00 0.00 H ATOM 1351 N LEU A 107 5.873 20.987 35.318 1.00 15.26 N ATOM 1352 CA LEU A 107 7.041 20.317 35.838 1.00 15.92 C ATOM 1353 C LEU A 107 7.461 20.918 37.175 1.00 16.57 C ATOM 1354 O LEU A 107 6.885 21.901 37.678 1.00 16.51 O ATOM 1355 CB LEU A 107 8.191 20.420 34.840 1.00 15.35 C ATOM 1356 CG LEU A 107 8.686 21.808 34.416 1.00 15.31 C ATOM 1357 CD1 LEU A 107 9.502 22.427 35.549 1.00 14.89 C ATOM 1358 CD2 LEU A 107 9.530 21.682 33.157 1.00 15.04 C ATOM 1359 HA LEU A 107 6.792 19.267 35.994 1.00 0.00 H ATOM 1360 HB2 LEU A 107 9.042 19.897 35.277 1.00 0.00 H ATOM 1361 HB3 LEU A 107 7.875 19.903 33.934 1.00 0.00 H ATOM 1362 HG LEU A 107 7.835 22.455 34.204 1.00 0.00 H ATOM 1363 HD21 LEU A 107 10.385 21.036 33.357 1.00 0.00 H ATOM 1364 HD22 LEU A 107 8.927 21.251 32.358 1.00 0.00 H ATOM 1365 HD23 LEU A 107 9.881 22.669 32.856 1.00 0.00 H ATOM 1366 HD11 LEU A 107 8.877 22.520 36.437 1.00 0.00 H ATOM 1367 HD12 LEU A 107 10.357 21.788 35.770 1.00 0.00 H ATOM 1368 HD13 LEU A 107 9.853 23.413 35.246 1.00 0.00 H ATOM 1369 H LEU A 107 5.676 21.964 35.615 1.00 0.00 H ATOM 1370 N VAL A 108 8.445 20.277 37.780 1.00 17.69 N ATOM 1371 CA VAL A 108 9.004 20.730 39.044 1.00 19.19 C ATOM 1372 C VAL A 108 10.521 20.644 38.865 1.00 19.43 C ATOM 1373 O VAL A 108 11.030 19.782 38.170 1.00 19.50 O ATOM 1374 CB VAL A 108 8.545 19.845 40.241 1.00 18.89 C ATOM 1375 CG1 VAL A 108 7.012 19.920 40.368 1.00 19.19 C ATOM 1376 CG2 VAL A 108 8.979 18.380 40.044 1.00 18.95 C ATOM 1377 HA VAL A 108 8.667 21.740 39.279 1.00 0.00 H ATOM 1378 HB VAL A 108 9.014 20.219 41.151 1.00 0.00 H ATOM 1379 HG11 VAL A 108 6.713 20.954 40.541 1.00 0.00 H ATOM 1380 HG12 VAL A 108 6.554 19.557 39.448 1.00 0.00 H ATOM 1381 HG13 VAL A 108 6.687 19.302 41.205 1.00 0.00 H ATOM 1382 HG21 VAL A 108 8.533 17.990 39.129 1.00 0.00 H ATOM 1383 HG22 VAL A 108 10.065 18.331 39.969 1.00 0.00 H ATOM 1384 HG23 VAL A 108 8.645 17.786 40.895 1.00 0.00 H ATOM 1385 H VAL A 108 8.833 19.420 37.338 1.00 0.00 H ATOM 1386 N VAL A 109 11.252 21.557 39.481 1.00 20.55 N ATOM 1387 CA VAL A 109 12.695 21.545 39.319 1.00 22.34 C ATOM 1388 C VAL A 109 13.331 20.462 40.186 1.00 22.75 C ATOM 1389 O VAL A 109 12.780 20.057 41.199 1.00 22.86 O ATOM 1390 CB VAL A 109 13.275 22.944 39.603 1.00 22.00 C ATOM 1391 CG1 VAL A 109 14.769 22.927 39.447 1.00 22.23 C ATOM 1392 CG2 VAL A 109 12.662 23.941 38.613 1.00 21.96 C ATOM 1393 HA VAL A 109 12.935 21.298 38.285 1.00 0.00 H ATOM 1394 HB VAL A 109 13.036 23.238 40.625 1.00 0.00 H ATOM 1395 HG11 VAL A 109 15.198 22.213 40.149 1.00 0.00 H ATOM 1396 HG12 VAL A 109 15.023 22.634 38.428 1.00 0.00 H ATOM 1397 HG13 VAL A 109 15.166 23.922 39.651 1.00 0.00 H ATOM 1398 HG21 VAL A 109 12.907 23.638 37.595 1.00 0.00 H ATOM 1399 HG22 VAL A 109 11.579 23.956 38.738 1.00 0.00 H ATOM 1400 HG23 VAL A 109 13.065 24.935 38.804 1.00 0.00 H ATOM 1401 H VAL A 109 10.797 22.278 40.077 1.00 0.00 H ATOM 1402 N VAL A 110 14.477 19.956 39.754 1.00 23.83 N ATOM 1403 CA VAL A 110 15.152 18.896 40.498 1.00 25.31 C ATOM 1404 C VAL A 110 16.126 19.516 41.476 1.00 25.85 C ATOM 1405 O VAL A 110 17.135 20.087 41.097 1.00 26.29 O ATOM 1406 CB VAL A 110 15.886 17.912 39.561 1.00 24.76 C ATOM 1407 CG1 VAL A 110 16.646 16.878 40.374 1.00 24.85 C ATOM 1408 CG2 VAL A 110 14.865 17.196 38.688 1.00 24.77 C ATOM 1409 HA VAL A 110 14.398 18.324 41.038 1.00 0.00 H ATOM 1410 HB VAL A 110 16.588 18.471 38.943 1.00 0.00 H ATOM 1411 HG11 VAL A 110 17.377 17.381 41.007 1.00 0.00 H ATOM 1412 HG12 VAL A 110 15.946 16.322 40.998 1.00 0.00 H ATOM 1413 HG13 VAL A 110 17.158 16.192 39.699 1.00 0.00 H ATOM 1414 HG21 VAL A 110 14.168 16.648 39.322 1.00 0.00 H ATOM 1415 HG22 VAL A 110 14.319 17.929 38.094 1.00 0.00 H ATOM 1416 HG23 VAL A 110 15.380 16.500 38.025 1.00 0.00 H ATOM 1417 H VAL A 110 14.900 20.318 38.876 1.00 0.00 H ATOM 1418 N ASN A 111 15.800 19.388 42.752 1.00 27.54 N ATOM 1419 CA ASN A 111 16.616 19.973 43.807 1.00 28.89 C ATOM 1420 C ASN A 111 17.769 19.042 44.144 1.00 29.22 C ATOM 1421 O ASN A 111 17.536 17.841 44.367 1.00 29.60 O ATOM 1422 CB ASN A 111 15.742 20.218 45.040 1.00 29.64 C ATOM 1423 CG ASN A 111 14.551 21.125 44.745 1.00 30.41 C ATOM 1424 OD1 ASN A 111 14.568 22.323 45.047 1.00 30.79 O ATOM 1425 ND2 ASN A 111 13.508 20.552 44.137 1.00 30.91 N ATOM 1426 HA ASN A 111 17.030 20.923 43.470 1.00 0.00 H ATOM 1427 OXT ASN A 111 18.920 19.508 44.176 1.00 30.02 O ATOM 1428 HB2 ASN A 111 15.370 19.259 45.400 1.00 0.00 H ATOM 1429 HB3 ASN A 111 16.352 20.684 45.814 1.00 0.00 H ATOM 1430 HD22 ASN A 111 13.536 19.540 43.901 1.00 0.00 H ATOM 1431 HD21 ASN A 111 12.669 21.118 43.900 1.00 0.00 H ATOM 1432 H ASN A 111 14.942 18.858 43.007 1.00 0.00 H TER 1433 ASN A 111 HETATM 1434 O HOH 1 5.398 23.780 39.097 1.00 15.27 O HETATM 1435 O HOH 2 0.246 16.540 34.708 1.00 27.12 O HETATM 1436 O HOH 3 3.847 22.198 41.237 1.00 22.70 O HETATM 1437 O HOH 4 5.474 12.327 35.708 1.00 25.46 O HETATM 1438 O HOH 5 0.788 19.234 34.501 1.00 22.46 O HETATM 1439 O HOH 6 19.921 32.147 30.191 1.00 41.38 O HETATM 1440 O HOH 7 16.819 31.367 28.354 1.00 24.31 O HETATM 1441 O HOH 8 15.060 26.657 33.794 1.00 23.15 O HETATM 1442 O HOH 9 -6.113 24.580 24.001 1.00 27.53 O HETATM 1443 O HOH 10 9.320 6.677 24.897 1.00 22.47 O HETATM 1444 O HOH 11 -2.774 22.728 14.012 1.00 30.66 O HETATM 1445 O HOH 12 7.308 34.513 13.023 1.00 39.94 O HETATM 1446 O HOH 13 16.344 29.932 26.217 1.00 19.36 O HETATM 1447 O HOH 14 -8.693 21.798 23.249 1.00 28.03 O HETATM 1448 O HOH 15 -0.419 27.337 11.167 1.00 37.10 O HETATM 1449 O HOH 16 5.208 28.503 12.270 1.00 30.16 O HETATM 1450 O HOH 17 7.280 15.898 38.973 1.00 20.23 O HETATM 1451 O HOH 18 -6.973 19.128 24.646 1.00 25.27 O HETATM 1452 O HOH 19 1.622 32.657 31.284 1.00 32.75 O HETATM 1453 O HOH 20 -1.863 29.505 9.921 1.00 44.14 O HETATM 1454 O HOH 21 9.035 12.837 35.541 1.00 17.30 O HETATM 1455 O HOH 22 17.472 21.478 39.034 1.00 33.12 O HETATM 1456 O HOH 23 10.864 26.938 13.505 1.00 28.98 O HETATM 1457 O HOH 24 1.402 28.536 33.487 1.00 23.23 O HETATM 1458 O HOH 25 22.150 27.810 35.013 1.00 37.86 O HETATM 1459 O HOH 26 10.106 18.122 11.453 1.00 43.67 O HETATM 1460 O HOH 27 2.688 10.279 32.242 1.00 22.48 O HETATM 1461 O HOH 28 2.110 33.037 21.954 1.00 26.64 O HETATM 1462 O HOH 29 -12.112 22.238 21.325 1.00 27.95 O HETATM 1463 O HOH 30 -3.259 14.800 21.499 1.00 29.84 O HETATM 1464 O HOH 31 -0.477 34.316 21.462 1.00 38.69 O HETATM 1465 O HOH 32 15.721 28.259 35.916 1.00 34.42 O HETATM 1466 O HOH 33 -9.454 19.412 24.430 1.00 46.22 O HETATM 1467 O HOH 34 -0.646 12.969 21.931 1.00 30.02 O HETATM 1468 O HOH 35 0.386 24.134 11.124 1.00 33.57 O HETATM 1469 O HOH 36 -8.535 25.272 22.726 1.00 36.75 O HETATM 1470 O HOH 37 9.290 38.209 29.799 1.00 24.43 O HETATM 1471 O HOH 38 -1.275 32.353 18.473 1.00 29.69 O HETATM 1472 O HOH 39 17.326 30.701 21.692 1.00 24.66 O HETATM 1473 O HOH 40 18.710 13.741 33.273 1.00 31.45 O HETATM 1474 O HOH 41 19.492 11.220 33.313 1.00 37.61 O HETATM 1475 O HOH 42 14.607 12.721 19.330 1.00 33.45 O HETATM 1476 O HOH 43 5.185 36.276 17.147 1.00 23.21 O HETATM 1477 O HOH 44 20.804 19.736 27.414 1.00 35.04 O HETATM 1478 O HOH 45 -1.750 28.934 29.974 1.00 30.52 O HETATM 1479 O HOH 46 16.202 10.325 35.103 1.00 39.26 O HETATM 1480 O HOH 47 16.059 10.035 26.657 1.00 37.02 O HETATM 1481 O HOH 48 -4.609 32.547 14.642 1.00 36.94 O HETATM 1482 O HOH 49 -7.313 22.753 25.410 1.00 37.57 O HETATM 1483 O HOH 50 12.941 3.542 26.791 1.00 42.87 O HETATM 1484 O HOH 51 -1.664 21.697 32.509 1.00 31.04 O HETATM 1485 O HOH 52 10.506 10.601 39.147 1.00 27.87 O HETATM 1486 O HOH 53 10.786 15.973 12.173 1.00 36.42 O HETATM 1487 O HOH 54 -1.150 32.075 10.664 1.00 43.06 O HETATM 1488 O HOH 55 13.027 17.174 42.679 1.00 37.70 O HETATM 1489 O HOH 56 3.113 8.700 25.663 1.00 35.76 O HETATM 1490 O HOH 57 10.386 7.517 33.071 1.00 42.50 O HETATM 1491 O HOH 58 21.966 22.443 28.695 1.00 37.13 O HETATM 1492 O HOH 59 -7.277 20.382 29.318 1.00 39.67 O HETATM 1493 O HOH 60 8.683 11.839 16.484 1.00 38.83 O HETATM 1494 O HOH 61 3.072 30.014 9.926 1.00 40.88 O HETATM 1495 O HOH 62 16.140 16.064 23.387 1.00 30.13 O HETATM 1496 O HOH 63 14.272 32.978 17.864 1.00 26.26 O HETATM 1497 O HOH 64 13.728 10.351 20.529 1.00 32.99 O HETATM 1498 O HOH 65 0.086 32.432 24.140 1.00 34.89 O HETATM 1499 O HOH 66 20.617 10.316 29.325 1.00 34.28 O HETATM 1500 O HOH 67 22.554 20.853 33.305 1.00 31.17 O HETATM 1501 O HOH 68 2.919 11.999 19.462 1.00 35.73 O HETATM 1502 O HOH 69 11.150 35.720 22.243 1.00 38.18 O HETATM 1503 O HOH 70 10.254 13.707 12.928 1.00 40.21 O HETATM 1504 O HOH 71 18.941 14.697 23.673 1.00 36.92 O HETATM 1505 O HOH 72 -6.819 30.520 27.381 1.00 41.15 O HETATM 1506 O HOH 73 26.095 28.842 29.739 1.00 41.36 O HETATM 1507 O HOH 74 21.042 25.878 36.460 1.00 48.98 O HETATM 1508 O HOH 75 13.466 35.575 23.261 1.00 35.61 O HETATM 1509 O HOH 76 12.164 35.212 19.702 1.00 34.66 O HETATM 1510 O HOH 77 -3.309 17.317 14.463 1.00 42.36 O HETATM 1511 O HOH 78 22.146 7.812 30.452 1.00 36.96 O HETATM 1512 O HOH 79 9.960 15.568 43.193 1.00 41.75 O HETATM 1513 O HOH 80 -5.133 31.467 29.170 1.00 38.89 O HETATM 1514 O HOH 81 27.712 26.943 29.898 1.00 44.00 O HETATM 1515 O HOH 82 14.129 5.185 25.116 1.00 36.30 O HETATM 1516 O HOH 83 -1.939 15.404 14.734 1.00 36.01 O HETATM 1517 O HOH 84 18.406 29.594 35.657 1.00 42.39 O HETATM 1518 O HOH 85 20.739 28.211 28.794 1.00 36.09 O HETATM 1519 O HOH 86 14.575 7.626 34.528 1.00 32.38 O HETATM 1520 O HOH 87 0.188 25.584 31.720 1.00 36.94 O HETATM 1521 O HOH 88 12.701 9.830 17.775 1.00 36.65 O HETATM 1522 O HOH 89 7.166 38.103 19.654 1.00 39.47 O HETATM 1523 O HOH 90 7.753 7.817 35.824 1.00 40.07 O HETATM 1524 O HOH 91 0.224 8.051 31.869 1.00 40.53 O HETATM 1525 O HOH 92 22.473 24.792 28.048 1.00 36.33 O HETATM 1526 O HOH 93 5.768 13.349 38.011 1.00 35.50 O HETATM 1527 CL1 UNN A 94 6.817 24.561 22.694 1.00 -0.08 CL HETATM 1528 C1 UNN A 94 8.322 25.014 21.832 1.00 0.03 C HETATM 1529 C2 UNN A 94 8.153 25.889 20.741 1.00 -0.05 C HETATM 1530 C3 UNN A 94 9.258 26.291 19.953 1.00 -0.06 C HETATM 1531 C6 UNN A 94 10.538 25.798 20.283 1.00 -0.02 C HETATM 1532 C5 UNN A 94 10.711 24.915 21.383 1.00 -0.06 C HETATM 1533 C4 UNN A 94 9.614 24.519 22.162 1.00 -0.05 C HETATM 1534 H UNN A 94 9.749 23.843 23.006 1.00 0.06 H HETATM 1535 H UNN A 94 11.706 24.542 21.624 1.00 0.06 H HETATM 1536 C7 UNN A 94 11.756 26.273 19.486 1.00 0.09 C HETATM 1537 N1 UNN A 94 11.639 25.959 18.071 1.00 -0.23 N HETATM 1538 C8 UNN A 94 11.276 24.580 17.788 1.00 0.15 C HETATM 1539 C9 UNN A 94 12.812 24.120 17.449 1.00 0.26 C HETATM 1540 O4 UNN A 94 13.791 24.851 17.461 1.00 -0.37 O HETATM 1541 O5 UNN A 94 12.817 22.739 17.172 1.00 -0.27 O HETATM 1542 C24 UNN A 94 13.995 21.968 16.639 1.00 0.09 C HETATM 1543 C25 UNN A 94 13.447 20.559 16.520 1.00 -0.03 C HETATM 1544 H UNN A 94 13.125 20.212 17.502 1.00 0.03 H HETATM 1545 H UNN A 94 12.598 20.557 15.836 1.00 0.03 H HETATM 1546 H UNN A 94 14.225 19.899 16.137 1.00 0.03 H HETATM 1547 C26 UNN A 94 15.075 22.072 17.719 1.00 -0.03 C HETATM 1548 H UNN A 94 15.325 23.120 17.881 1.00 0.03 H HETATM 1549 H UNN A 94 14.702 21.639 18.647 1.00 0.03 H HETATM 1550 H UNN A 94 15.964 21.531 17.395 1.00 0.03 H HETATM 1551 C27 UNN A 94 14.229 22.570 15.244 1.00 -0.03 C HETATM 1552 H UNN A 94 13.336 22.431 14.635 1.00 0.03 H HETATM 1553 H UNN A 94 14.443 23.634 15.340 1.00 0.03 H HETATM 1554 H UNN A 94 15.074 22.070 14.771 1.00 0.03 H HETATM 1555 C10 UNN A 94 10.249 24.379 16.581 1.00 -0.01 C HETATM 1556 C23 UNN A 94 8.794 24.760 16.954 1.00 -0.06 C HETATM 1557 H UNN A 94 8.458 24.137 17.783 1.00 0.02 H HETATM 1558 H UNN A 94 8.758 25.809 17.248 1.00 0.02 H HETATM 1559 H UNN A 94 8.146 24.601 16.092 1.00 0.02 H HETATM 1560 H UNN A 94 10.257 23.323 16.311 1.00 0.03 H HETATM 1561 H UNN A 94 10.564 25.030 15.765 1.00 0.03 H HETATM 1562 H UNN A 94 10.730 24.036 18.559 1.00 0.08 H HETATM 1563 C11 UNN A 94 11.922 26.818 17.034 1.00 0.19 C HETATM 1564 O1 UNN A 94 11.793 26.457 15.888 1.00 -0.40 O HETATM 1565 C12 UNN A 94 12.482 28.239 17.352 1.00 0.06 C HETATM 1566 C13 UNN A 94 11.360 29.264 17.103 1.00 0.02 C HETATM 1567 C14 UNN A 94 11.911 30.682 16.834 1.00 0.04 C HETATM 1568 O2 UNN A 94 11.895 31.522 17.684 1.00 -0.57 O HETATM 1569 O3 UNN A 94 12.370 30.895 15.595 1.00 -0.57 O HETATM 1570 H UNN A 94 10.737 29.307 17.996 1.00 0.05 H HETATM 1571 H UNN A 94 10.800 28.946 16.223 1.00 0.05 H HETATM 1572 C15 UNN A 94 13.099 28.290 18.736 1.00 -0.02 C HETATM 1573 C16 UNN A 94 12.145 27.779 19.787 1.00 0.03 C HETATM 1574 C17 UNN A 94 12.563 28.052 21.229 1.00 -0.04 C HETATM 1575 C18 UNN A 94 13.919 27.998 21.612 1.00 -0.06 C HETATM 1576 C19 UNN A 94 14.297 28.145 22.956 1.00 -0.07 C HETATM 1577 C20 UNN A 94 13.316 28.354 23.937 1.00 -0.05 C HETATM 1578 C21 UNN A 94 11.977 28.419 23.565 1.00 0.03 C HETATM 1579 CL2 UNN A 94 10.784 28.654 24.773 1.00 -0.07 CL HETATM 1580 C22 UNN A 94 11.590 28.279 22.240 1.00 -0.05 C HETATM 1581 H UNN A 94 10.535 28.343 21.973 1.00 0.06 H HETATM 1582 H UNN A 94 13.601 28.465 24.983 1.00 0.06 H HETATM 1583 H UNN A 94 15.349 28.097 23.236 1.00 0.06 H HETATM 1584 H UNN A 94 14.685 27.840 20.853 1.00 0.06 H HETATM 1585 H UNN A 94 11.236 28.375 19.707 1.00 0.05 H HETATM 1586 H UNN A 94 13.343 29.327 18.967 1.00 0.03 H HETATM 1587 H UNN A 94 13.988 27.659 18.741 1.00 0.03 H HETATM 1588 H UNN A 94 13.307 28.496 16.688 1.00 0.06 H HETATM 1589 H UNN A 94 12.611 25.698 19.842 1.00 0.07 H HETATM 1590 H UNN A 94 9.123 26.967 19.109 1.00 0.06 H HETATM 1591 H UNN A 94 7.157 26.262 20.500 1.00 0.06 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 790 791 805 806 807 CONECT 805 790 CONECT 806 790 CONECT 807 790 CONECT 1527 1528 CONECT 1528 1527 1529 1533 CONECT 1529 1528 1530 1591 CONECT 1530 1529 1531 1590 CONECT 1531 1530 1532 1536 CONECT 1532 1531 1533 1535 CONECT 1533 1528 1532 1534 CONECT 1534 1533 CONECT 1535 1532 CONECT 1536 1531 1537 1573 1589 CONECT 1537 1536 1538 1563 CONECT 1538 1537 1539 1555 1562 CONECT 1539 1538 1540 1541 CONECT 1540 1539 CONECT 1541 1539 1542 CONECT 1542 1541 1543 1547 1551 CONECT 1543 1542 1544 1545 1546 CONECT 1544 1543 CONECT 1545 1543 CONECT 1546 1543 CONECT 1547 1542 1548 1549 1550 CONECT 1548 1547 CONECT 1549 1547 CONECT 1550 1547 CONECT 1551 1542 1552 1553 1554 CONECT 1552 1551 CONECT 1553 1551 CONECT 1554 1551 CONECT 1555 1538 1556 1560 1561 CONECT 1556 1555 1557 1558 1559 CONECT 1557 1556 CONECT 1558 1556 CONECT 1559 1556 CONECT 1560 1555 CONECT 1561 1555 CONECT 1562 1538 CONECT 1563 1537 1564 1565 CONECT 1564 1563 CONECT 1565 1563 1566 1572 1588 CONECT 1566 1565 1567 1570 1571 CONECT 1567 1566 1568 1569 CONECT 1568 1567 CONECT 1569 1567 CONECT 1570 1566 CONECT 1571 1566 CONECT 1572 1565 1573 1586 1587 CONECT 1573 1536 1572 1574 1585 CONECT 1574 1573 1575 1580 CONECT 1575 1574 1576 1584 CONECT 1576 1575 1577 1583 CONECT 1577 1576 1578 1582 CONECT 1578 1577 1579 1580 CONECT 1579 1578 CONECT 1580 1574 1578 1581 CONECT 1581 1580 CONECT 1582 1577 CONECT 1583 1576 CONECT 1584 1575 CONECT 1585 1573 CONECT 1586 1572 CONECT 1587 1572 CONECT 1588 1565 CONECT 1589 1536 CONECT 1590 1530 CONECT 1591 1529 MASTER 0 0 0 0 0 0 0 0 1589 2 73 7 END
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Related entries of code: 4ere
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
85aa, >1RV1_1|Chains... at 98%
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3lbk
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PDBbind
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PDBbind
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PDBbind
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3vzv
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PDBbind
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3w69
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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4erf
RCSB PDB
PDBbind
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PDBbind
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4jv9
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4jve
RCSB PDB
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4jwr
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PDBbind
95aa, >4JWR_1|Chains... at 100%
4mdn
RCSB PDB
PDBbind
94aa, >4MDN_1|Chain... at 98%
4mdq
RCSB PDB
PDBbind
86aa, >4MDQ_1|Chain... at 100%
4oas
RCSB PDB
PDBbind
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4ode
RCSB PDB
PDBbind
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4odf
RCSB PDB
PDBbind
105aa, >4ODF_1|Chain... at 100%
4ogn
RCSB PDB
PDBbind
105aa, >4OGN_1|Chain... at 100%
4ogt
RCSB PDB
PDBbind
105aa, >4OGT_1|Chain... at 100%
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4oq3
RCSB PDB
PDBbind
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4qo4
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PDBbind
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PDBbind
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96aa, >4ZYF_1|Chain... at 98%
4zyi
RCSB PDB
PDBbind
96aa, >4ZYI_1|Chain... at 98%
5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
5hmi
RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5j7g
RCSB PDB
PDBbind
109aa, >5J7G_1|Chains... at 99%
5lav
RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5laz
RCSB PDB
PDBbind
94aa, >5LAZ_1|Chain... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
5oai
RCSB PDB
PDBbind
97aa, >5OAI_1|Chain... at 98%
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
4ere
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
0R2
EC.Number
E.C.6.3.2
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=4.2nM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Med.Chem. Vol. 55: pp. 4936-4954
Ligand Properties
Formula
C
2
7
H
3
1
Cl
2
NO
5
Molecular Weight
520.445
Exact Mass
519.158
No. of atoms
66
No. of bonds
68
Polar Surface Area
83.91
LOGP Value
7.13 (
Computed with XLOGP3
)
6.20 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
CC[C@H](N1C(=O)[C@@H](CC(=O)O)C[C@@H]([C@H]1c1ccc(cc1)Cl)c1cccc(c1)Cl)C(=O)OC(C)(C)C
InChI String
InChI=1S/C27H31Cl2NO5/c1-5-22(26(34)35-27(2,3)4)30-24(16-9-11-19(28)12-10-16)21(17-7-6-8-20(29)13-17)14-18(25(30)33)15-23(31)32/h6-13,18,21-22,24H,5,14-15H2,1-4H3,(H,31,32)/t18-,21-,22+,24-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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