Browse entries in the PDBbind-CN Database
HEADER 1J4R_COMPLEX COMPND 1J4R_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 107 GLY VAL GLN VAL GLU THR ILE SER PRO GLY ASP GLY ARG SEQRES 2 A 107 THR PHE PRO LYS ARG GLY GLN THR CYS VAL VAL HIS TYR SEQRES 3 A 107 THR GLY MET LEU GLU ASP GLY LYS LYS PHE ASP SER SER SEQRES 4 A 107 ARG ASP ARG ASN LYS PRO PHE LYS PHE MET LEU GLY LYS SEQRES 5 A 107 GLN GLU VAL ILE ARG GLY TRP GLU GLU GLY VAL ALA GLN SEQRES 6 A 107 MET SER VAL GLY GLN ARG ALA LYS LEU THR ILE SER PRO SEQRES 7 A 107 ASP TYR ALA TYR GLY ALA THR GLY HIS PRO GLY ILE ILE SEQRES 8 A 107 PRO PRO HIS ALA THR LEU VAL PHE ASP VAL GLU LEU LEU SEQRES 9 A 107 LYS LEU GLU HET UNN A 158 87 ATOM 1 N GLY A 1 29.826 2.346 10.787 1.00 8.69 N ATOM 2 CA GLY A 1 30.079 3.813 10.546 1.00 10.00 C ATOM 3 C GLY A 1 28.879 4.668 10.935 1.00 9.82 C ATOM 4 O GLY A 1 28.222 4.397 11.931 1.00 10.85 O ATOM 5 HA3 GLY A 1 30.292 3.965 9.488 1.00 0.00 H ATOM 6 HA2 GLY A 1 30.940 4.124 11.137 1.00 0.00 H ATOM 7 HN3 GLY A 1 29.009 2.039 10.221 1.00 0.00 H ATOM 8 HN2 GLY A 1 29.628 2.191 11.796 1.00 0.00 H ATOM 9 HN1 GLY A 1 30.667 1.800 10.509 1.00 0.00 H ATOM 10 N VAL A 2 28.594 5.686 10.132 1.00 8.74 N ATOM 11 CA VAL A 2 27.464 6.568 10.373 1.00 8.67 C ATOM 12 C VAL A 2 26.625 6.776 9.111 1.00 9.31 C ATOM 13 O VAL A 2 27.158 7.089 8.049 1.00 8.81 O ATOM 14 CB VAL A 2 27.911 7.971 10.929 1.00 8.70 C ATOM 15 CG1 VAL A 2 28.983 8.617 10.005 1.00 8.19 C ATOM 16 CG2 VAL A 2 26.667 8.909 11.104 1.00 6.48 C ATOM 17 HA VAL A 2 26.856 6.070 11.128 1.00 0.00 H ATOM 18 HB VAL A 2 28.366 7.828 11.909 1.00 0.00 H ATOM 19 HG11 VAL A 2 29.855 7.966 9.952 1.00 0.00 H ATOM 20 HG12 VAL A 2 28.567 8.751 9.006 1.00 0.00 H ATOM 21 HG13 VAL A 2 29.275 9.585 10.411 1.00 0.00 H ATOM 22 HG21 VAL A 2 26.179 9.047 10.139 1.00 0.00 H ATOM 23 HG22 VAL A 2 25.967 8.455 11.805 1.00 0.00 H ATOM 24 HG23 VAL A 2 26.993 9.875 11.489 1.00 0.00 H ATOM 25 H VAL A 2 29.199 5.858 9.304 1.00 0.00 H ATOM 26 N GLN A 3 25.328 6.506 9.208 1.00 9.87 N ATOM 27 CA GLN A 3 24.437 6.750 8.078 1.00 11.02 C ATOM 28 C GLN A 3 23.634 7.996 8.421 1.00 9.93 C ATOM 29 O GLN A 3 23.235 8.205 9.569 1.00 8.74 O ATOM 30 CB GLN A 3 23.533 5.547 7.742 1.00 15.65 C ATOM 31 CG GLN A 3 22.283 5.330 8.573 1.00 20.25 C ATOM 32 CD GLN A 3 21.417 4.174 8.034 1.00 22.56 C ATOM 33 OE1 GLN A 3 21.248 3.143 8.697 1.00 24.96 O ATOM 34 NE2 GLN A 3 20.870 4.348 6.833 1.00 23.00 N ATOM 35 HA GLN A 3 25.022 6.899 7.170 1.00 0.00 H ATOM 36 HB2 GLN A 3 23.215 5.662 6.706 1.00 0.00 H ATOM 37 HB3 GLN A 3 24.143 4.649 7.836 1.00 0.00 H ATOM 38 HG2 GLN A 3 22.578 5.100 9.597 1.00 0.00 H ATOM 39 HG3 GLN A 3 21.692 6.246 8.563 1.00 0.00 H ATOM 40 HE22 GLN A 3 21.037 5.230 6.308 1.00 0.00 H ATOM 41 HE21 GLN A 3 20.275 3.602 6.419 1.00 0.00 H ATOM 42 H GLN A 3 24.945 6.119 10.094 1.00 0.00 H ATOM 43 N VAL A 4 23.527 8.882 7.446 1.00 9.02 N ATOM 44 CA VAL A 4 22.802 10.133 7.618 1.00 9.71 C ATOM 45 C VAL A 4 21.537 10.071 6.765 1.00 10.76 C ATOM 46 O VAL A 4 21.590 9.821 5.543 1.00 10.45 O ATOM 47 CB VAL A 4 23.678 11.392 7.215 1.00 10.94 C ATOM 48 CG1 VAL A 4 22.892 12.684 7.435 1.00 9.32 C ATOM 49 CG2 VAL A 4 24.978 11.450 8.028 1.00 10.01 C ATOM 50 HA VAL A 4 22.551 10.253 8.672 1.00 0.00 H ATOM 51 HB VAL A 4 23.928 11.290 6.159 1.00 0.00 H ATOM 52 HG11 VAL A 4 21.991 12.668 6.822 1.00 0.00 H ATOM 53 HG12 VAL A 4 22.617 12.766 8.486 1.00 0.00 H ATOM 54 HG13 VAL A 4 23.510 13.536 7.153 1.00 0.00 H ATOM 55 HG21 VAL A 4 24.739 11.519 9.089 1.00 0.00 H ATOM 56 HG22 VAL A 4 25.561 10.548 7.843 1.00 0.00 H ATOM 57 HG23 VAL A 4 25.555 12.325 7.727 1.00 0.00 H ATOM 58 H VAL A 4 23.974 8.680 6.529 1.00 0.00 H ATOM 59 N GLU A 5 20.394 10.234 7.430 1.00 10.55 N ATOM 60 CA GLU A 5 19.099 10.204 6.758 1.00 11.55 C ATOM 61 C GLU A 5 18.404 11.534 7.028 1.00 9.69 C ATOM 62 O GLU A 5 18.087 11.854 8.171 1.00 10.66 O ATOM 63 CB GLU A 5 18.253 9.039 7.283 1.00 12.17 C ATOM 64 CG GLU A 5 18.891 7.658 7.072 1.00 18.05 C ATOM 65 CD GLU A 5 18.082 6.508 7.705 1.00 20.56 C ATOM 66 OE1 GLU A 5 17.076 6.067 7.088 1.00 22.92 O ATOM 67 OE2 GLU A 5 18.443 6.043 8.812 1.00 20.81 O ATOM 68 HA GLU A 5 19.231 10.059 5.686 1.00 0.00 H ATOM 69 HB2 GLU A 5 18.095 9.184 8.352 1.00 0.00 H ATOM 70 HB3 GLU A 5 17.292 9.055 6.770 1.00 0.00 H ATOM 71 HG2 GLU A 5 18.973 7.475 6.001 1.00 0.00 H ATOM 72 HG3 GLU A 5 19.887 7.665 7.515 1.00 0.00 H ATOM 73 H GLU A 5 20.426 10.387 8.458 1.00 0.00 H ATOM 74 N THR A 6 18.152 12.293 5.969 1.00 8.78 N ATOM 75 CA THR A 6 17.507 13.600 6.095 1.00 9.35 C ATOM 76 C THR A 6 16.041 13.539 6.519 1.00 9.62 C ATOM 77 O THR A 6 15.262 12.743 5.990 1.00 9.85 O ATOM 78 CB THR A 6 17.639 14.420 4.774 1.00 8.51 C ATOM 79 OG1 THR A 6 19.016 14.689 4.540 1.00 10.54 O ATOM 80 CG2 THR A 6 16.904 15.756 4.853 1.00 8.71 C ATOM 81 HA THR A 6 18.042 14.102 6.901 1.00 0.00 H ATOM 82 HB THR A 6 17.199 13.830 3.970 1.00 0.00 H ATOM 83 HG1 THR A 6 19.383 15.210 5.298 1.00 0.00 H ATOM 84 HG23 THR A 6 15.844 15.576 5.032 1.00 0.00 H ATOM 85 HG21 THR A 6 17.316 16.348 5.670 1.00 0.00 H ATOM 86 HG22 THR A 6 17.029 16.294 3.913 1.00 0.00 H ATOM 87 H THR A 6 18.420 11.950 5.025 1.00 0.00 H ATOM 88 N ILE A 7 15.684 14.365 7.498 1.00 9.18 N ATOM 89 CA ILE A 7 14.308 14.435 7.982 1.00 10.53 C ATOM 90 C ILE A 7 13.682 15.666 7.331 1.00 10.81 C ATOM 91 O ILE A 7 12.587 15.577 6.777 1.00 11.21 O ATOM 92 CB ILE A 7 14.243 14.532 9.531 1.00 11.03 C ATOM 93 CG1 ILE A 7 14.812 13.255 10.155 1.00 10.76 C ATOM 94 CG2 ILE A 7 12.806 14.753 10.006 1.00 10.79 C ATOM 95 CD1 ILE A 7 15.107 13.395 11.626 1.00 9.47 C ATOM 96 HA ILE A 7 13.766 13.527 7.717 1.00 0.00 H ATOM 97 HB ILE A 7 14.841 15.387 9.848 1.00 0.00 H ATOM 98 HG12 ILE A 7 14.088 12.451 10.021 1.00 0.00 H ATOM 99 HG13 ILE A 7 15.737 12.999 9.638 1.00 0.00 H ATOM 100 HD11 ILE A 7 15.838 14.189 11.775 1.00 0.00 H ATOM 101 HD12 ILE A 7 14.188 13.641 12.158 1.00 0.00 H ATOM 102 HD13 ILE A 7 15.507 12.455 12.006 1.00 0.00 H ATOM 103 HG21 ILE A 7 12.423 15.680 9.580 1.00 0.00 H ATOM 104 HG22 ILE A 7 12.185 13.918 9.681 1.00 0.00 H ATOM 105 HG23 ILE A 7 12.790 14.817 11.094 1.00 0.00 H ATOM 106 H ILE A 7 16.404 14.978 7.931 1.00 0.00 H ATOM 107 N SER A 8 14.408 16.785 7.373 1.00 10.45 N ATOM 108 CA SER A 8 13.987 18.046 6.789 1.00 10.24 C ATOM 109 C SER A 8 15.237 18.654 6.184 1.00 9.60 C ATOM 110 O SER A 8 16.287 18.675 6.805 1.00 8.58 O ATOM 111 CB SER A 8 13.435 18.986 7.851 1.00 11.22 C ATOM 112 OG SER A 8 12.272 18.456 8.443 1.00 16.41 O ATOM 113 HA SER A 8 13.198 17.888 6.054 1.00 0.00 H ATOM 114 HB2 SER A 8 13.195 19.944 7.389 1.00 0.00 H ATOM 115 HB3 SER A 8 14.191 19.135 8.622 1.00 0.00 H ATOM 116 HG SER A 8 11.580 18.323 7.747 1.00 0.00 H ATOM 117 H SER A 8 15.330 16.752 7.853 1.00 0.00 H ATOM 118 N PRO A 9 15.123 19.211 4.974 1.00 9.60 N ATOM 119 CA PRO A 9 16.280 19.820 4.287 1.00 9.16 C ATOM 120 C PRO A 9 16.894 21.108 4.864 1.00 8.62 C ATOM 121 O PRO A 9 16.211 21.943 5.471 1.00 7.08 O ATOM 122 CB PRO A 9 15.749 20.046 2.865 1.00 9.39 C ATOM 123 CG PRO A 9 14.247 20.309 3.106 1.00 11.02 C ATOM 124 CD PRO A 9 13.912 19.233 4.123 1.00 9.23 C ATOM 125 HA PRO A 9 17.135 19.151 4.388 1.00 0.00 H ATOM 126 HD3 PRO A 9 13.028 19.499 4.702 1.00 0.00 H ATOM 127 HD2 PRO A 9 13.752 18.269 3.640 1.00 0.00 H ATOM 128 HG3 PRO A 9 13.669 20.186 2.190 1.00 0.00 H ATOM 129 HG2 PRO A 9 14.077 21.307 3.510 1.00 0.00 H ATOM 130 HB2 PRO A 9 16.229 20.905 2.397 1.00 0.00 H ATOM 131 HB3 PRO A 9 15.900 19.164 2.243 1.00 0.00 H ATOM 132 N GLY A 10 18.212 21.225 4.699 1.00 8.78 N ATOM 133 CA GLY A 10 18.934 22.402 5.151 1.00 9.47 C ATOM 134 C GLY A 10 19.010 23.329 3.956 1.00 8.97 C ATOM 135 O GLY A 10 18.269 23.119 3.002 1.00 10.33 O ATOM 136 HA3 GLY A 10 19.936 22.128 5.483 1.00 0.00 H ATOM 137 HA2 GLY A 10 18.400 22.883 5.971 1.00 0.00 H ATOM 138 H GLY A 10 18.736 20.455 4.236 1.00 0.00 H ATOM 139 N ASP A 11 19.897 24.319 3.967 1.00 9.11 N ATOM 140 CA ASP A 11 20.005 25.228 2.829 1.00 8.49 C ATOM 141 C ASP A 11 20.769 24.642 1.646 1.00 9.93 C ATOM 142 O ASP A 11 20.749 25.200 0.536 1.00 8.77 O ATOM 143 CB ASP A 11 20.579 26.591 3.250 1.00 8.98 C ATOM 144 CG ASP A 11 22.086 26.582 3.509 1.00 8.60 C ATOM 145 OD1 ASP A 11 22.762 25.539 3.463 1.00 6.66 O ATOM 146 OD2 ASP A 11 22.602 27.683 3.773 1.00 10.38 O ATOM 147 HA ASP A 11 18.985 25.381 2.476 1.00 0.00 H ATOM 148 HB2 ASP A 11 20.372 27.309 2.457 1.00 0.00 H ATOM 149 HB3 ASP A 11 20.076 26.907 4.164 1.00 0.00 H ATOM 150 H ASP A 11 20.518 24.447 4.791 1.00 0.00 H ATOM 151 N GLY A 12 21.430 23.505 1.887 1.00 9.25 N ATOM 152 CA GLY A 12 22.188 22.838 0.846 1.00 10.30 C ATOM 153 C GLY A 12 23.465 23.514 0.372 1.00 11.73 C ATOM 154 O GLY A 12 24.047 23.095 -0.630 1.00 11.19 O ATOM 155 HA3 GLY A 12 21.533 22.731 -0.019 1.00 0.00 H ATOM 156 HA2 GLY A 12 22.459 21.850 1.219 1.00 0.00 H ATOM 157 H GLY A 12 21.400 23.091 2.840 1.00 0.00 H ATOM 158 N ARG A 13 23.919 24.552 1.067 1.00 11.97 N ATOM 159 CA ARG A 13 25.144 25.207 0.647 1.00 13.01 C ATOM 160 C ARG A 13 26.067 25.599 1.781 1.00 11.23 C ATOM 161 O ARG A 13 27.251 25.857 1.558 1.00 11.74 O ATOM 162 CB ARG A 13 24.837 26.404 -0.260 1.00 15.09 C ATOM 163 CG ARG A 13 24.170 27.578 0.416 1.00 21.62 C ATOM 164 CD ARG A 13 23.399 28.418 -0.609 1.00 26.18 C ATOM 165 NE ARG A 13 24.110 28.511 -1.884 1.00 30.73 N ATOM 166 CZ ARG A 13 23.521 28.441 -3.077 1.00 32.83 C ATOM 167 NH1 ARG A 13 22.203 28.291 -3.169 1.00 34.46 N ATOM 168 NH2 ARG A 13 24.255 28.453 -4.183 1.00 33.28 N ATOM 169 HA ARG A 13 25.697 24.459 0.079 1.00 0.00 H ATOM 170 HB2 ARG A 13 25.778 26.752 -0.687 1.00 0.00 H ATOM 171 HB3 ARG A 13 24.181 26.060 -1.060 1.00 0.00 H ATOM 172 HG2 ARG A 13 23.478 27.211 1.173 1.00 0.00 H ATOM 173 HG3 ARG A 13 24.930 28.199 0.891 1.00 0.00 H ATOM 174 HD2 ARG A 13 23.260 29.422 -0.209 1.00 0.00 H ATOM 175 HD3 ARG A 13 22.426 27.959 -0.781 1.00 0.00 H ATOM 176 HE ARG A 13 25.142 28.640 -1.858 1.00 0.00 H ATOM 177 HH12 ARG A 13 21.750 28.237 -4.103 1.00 0.00 H ATOM 178 HH11 ARG A 13 21.625 28.228 -2.306 1.00 0.00 H ATOM 179 HH22 ARG A 13 23.794 28.398 -5.114 1.00 0.00 H ATOM 180 HH21 ARG A 13 25.291 28.517 -4.119 1.00 0.00 H ATOM 181 H ARG A 13 23.402 24.891 1.903 1.00 0.00 H ATOM 182 N THR A 14 25.538 25.636 2.998 1.00 9.38 N ATOM 183 CA THR A 14 26.337 26.005 4.159 1.00 8.09 C ATOM 184 C THR A 14 26.643 24.794 5.060 1.00 8.15 C ATOM 185 O THR A 14 25.914 24.495 6.016 1.00 7.49 O ATOM 186 CB THR A 14 25.649 27.127 4.996 1.00 9.44 C ATOM 187 OG1 THR A 14 25.157 28.157 4.124 1.00 9.31 O ATOM 188 CG2 THR A 14 26.653 27.750 5.991 1.00 9.34 C ATOM 189 HA THR A 14 27.281 26.387 3.771 1.00 0.00 H ATOM 190 HB THR A 14 24.821 26.683 5.549 1.00 0.00 H ATOM 191 HG1 THR A 14 24.499 27.769 3.495 1.00 0.00 H ATOM 192 HG23 THR A 14 27.031 26.974 6.657 1.00 0.00 H ATOM 193 HG21 THR A 14 27.482 28.193 5.439 1.00 0.00 H ATOM 194 HG22 THR A 14 26.152 28.521 6.577 1.00 0.00 H ATOM 195 H THR A 14 24.534 25.397 3.125 1.00 0.00 H ATOM 196 N PHE A 15 27.751 24.128 4.756 1.00 8.30 N ATOM 197 CA PHE A 15 28.199 22.970 5.521 1.00 8.74 C ATOM 198 C PHE A 15 29.290 23.418 6.474 1.00 8.92 C ATOM 199 O PHE A 15 30.058 24.326 6.158 1.00 8.87 O ATOM 200 CB PHE A 15 28.697 21.869 4.582 1.00 8.49 C ATOM 201 CG PHE A 15 27.627 21.336 3.684 1.00 9.16 C ATOM 202 CD1 PHE A 15 26.849 20.263 4.083 1.00 7.42 C ATOM 203 CD2 PHE A 15 27.344 21.959 2.476 1.00 6.81 C ATOM 204 CE1 PHE A 15 25.792 19.817 3.294 1.00 9.86 C ATOM 205 CE2 PHE A 15 26.288 21.522 1.684 1.00 9.67 C ATOM 206 CZ PHE A 15 25.508 20.449 2.095 1.00 9.29 C ATOM 207 HA PHE A 15 27.370 22.554 6.094 1.00 0.00 H ATOM 208 HB2 PHE A 15 29.498 22.275 3.964 1.00 0.00 H ATOM 209 HB3 PHE A 15 29.085 21.048 5.185 1.00 0.00 H ATOM 210 HD2 PHE A 15 27.955 22.799 2.145 1.00 0.00 H ATOM 211 HE2 PHE A 15 26.072 22.022 0.740 1.00 0.00 H ATOM 212 HZ PHE A 15 24.677 20.106 1.478 1.00 0.00 H ATOM 213 HE1 PHE A 15 25.188 18.970 3.620 1.00 0.00 H ATOM 214 HD1 PHE A 15 27.066 19.761 5.026 1.00 0.00 H ATOM 215 H PHE A 15 28.319 24.443 3.944 1.00 0.00 H ATOM 216 N PRO A 16 29.357 22.802 7.668 1.00 9.34 N ATOM 217 CA PRO A 16 30.344 23.125 8.703 1.00 8.97 C ATOM 218 C PRO A 16 31.773 22.912 8.218 1.00 9.44 C ATOM 219 O PRO A 16 32.080 21.902 7.594 1.00 8.47 O ATOM 220 CB PRO A 16 30.009 22.118 9.813 1.00 9.75 C ATOM 221 CG PRO A 16 28.604 21.747 9.579 1.00 9.65 C ATOM 222 CD PRO A 16 28.545 21.647 8.088 1.00 9.26 C ATOM 223 HA PRO A 16 30.296 24.169 9.013 1.00 0.00 H ATOM 224 HD3 PRO A 16 28.978 20.710 7.737 1.00 0.00 H ATOM 225 HD2 PRO A 16 27.520 21.731 7.726 1.00 0.00 H ATOM 226 HG3 PRO A 16 27.925 22.515 9.951 1.00 0.00 H ATOM 227 HG2 PRO A 16 28.364 20.793 10.049 1.00 0.00 H ATOM 228 HB2 PRO A 16 30.654 21.242 9.743 1.00 0.00 H ATOM 229 HB3 PRO A 16 30.126 22.577 10.795 1.00 0.00 H ATOM 230 N LYS A 17 32.627 23.892 8.489 1.00 10.71 N ATOM 231 CA LYS A 17 34.043 23.824 8.149 1.00 12.58 C ATOM 232 C LYS A 17 34.806 23.712 9.457 1.00 13.79 C ATOM 233 O LYS A 17 34.355 24.202 10.493 1.00 13.12 O ATOM 234 CB LYS A 17 34.485 25.096 7.433 1.00 13.50 C ATOM 235 CG LYS A 17 34.125 25.056 5.964 1.00 17.43 C ATOM 236 CD LYS A 17 34.236 26.416 5.272 1.00 20.95 C ATOM 237 CE LYS A 17 32.938 27.250 5.404 1.00 23.36 C ATOM 238 NZ LYS A 17 31.794 26.687 4.581 1.00 25.78 N ATOM 239 HA LYS A 17 34.231 22.975 7.491 1.00 0.00 H ATOM 240 HB2 LYS A 17 33.994 25.952 7.896 1.00 0.00 H ATOM 241 HB3 LYS A 17 35.565 25.201 7.531 1.00 0.00 H ATOM 242 HG2 LYS A 17 34.795 24.358 5.463 1.00 0.00 H ATOM 243 HG3 LYS A 17 33.098 24.703 5.869 1.00 0.00 H ATOM 244 HD2 LYS A 17 35.058 26.973 5.722 1.00 0.00 H ATOM 245 HD3 LYS A 17 34.444 26.255 4.214 1.00 0.00 H ATOM 246 HE2 LYS A 17 33.141 28.267 5.069 1.00 0.00 H ATOM 247 HE3 LYS A 17 32.639 27.267 6.452 1.00 0.00 H ATOM 248 HZ1 LYS A 17 32.064 26.674 3.577 1.00 0.00 H ATOM 249 HZ2 LYS A 17 31.585 25.719 4.897 1.00 0.00 H ATOM 250 HZ3 LYS A 17 30.952 27.284 4.707 1.00 0.00 H ATOM 251 H LYS A 17 32.270 24.745 8.965 1.00 0.00 H ATOM 252 N ARG A 18 35.939 23.037 9.430 1.00 14.16 N ATOM 253 CA ARG A 18 36.747 22.921 10.629 1.00 16.93 C ATOM 254 C ARG A 18 37.009 24.364 11.056 1.00 17.89 C ATOM 255 O ARG A 18 37.173 25.251 10.199 1.00 18.09 O ATOM 256 CB ARG A 18 38.044 22.152 10.324 1.00 17.49 C ATOM 257 CG ARG A 18 39.315 22.745 10.917 1.00 23.84 C ATOM 258 CD ARG A 18 40.047 23.631 9.882 1.00 27.20 C ATOM 259 NE ARG A 18 40.928 24.649 10.472 1.00 29.12 N ATOM 260 CZ ARG A 18 41.852 25.332 9.788 1.00 30.86 C ATOM 261 NH1 ARG A 18 42.038 25.103 8.484 1.00 28.27 N ATOM 262 NH2 ARG A 18 42.547 26.298 10.397 1.00 32.06 N ATOM 263 HA ARG A 18 36.258 22.360 11.426 1.00 0.00 H ATOM 264 HB2 ARG A 18 37.933 21.139 10.712 1.00 0.00 H ATOM 265 HB3 ARG A 18 38.165 22.114 9.241 1.00 0.00 H ATOM 266 HG2 ARG A 18 39.055 23.351 11.785 1.00 0.00 H ATOM 267 HG3 ARG A 18 39.977 21.935 11.225 1.00 0.00 H ATOM 268 HD2 ARG A 18 39.297 24.138 9.275 1.00 0.00 H ATOM 269 HD3 ARG A 18 40.651 22.984 9.245 1.00 0.00 H ATOM 270 HE ARG A 18 40.826 24.851 11.487 1.00 0.00 H ATOM 271 HH12 ARG A 18 42.759 25.639 7.960 1.00 0.00 H ATOM 272 HH11 ARG A 18 41.462 24.389 7.994 1.00 0.00 H ATOM 273 HH22 ARG A 18 43.267 26.832 9.870 1.00 0.00 H ATOM 274 HH21 ARG A 18 42.368 26.515 11.398 1.00 0.00 H ATOM 275 H ARG A 18 36.254 22.587 8.547 1.00 0.00 H ATOM 276 N GLY A 19 36.922 24.621 12.363 1.00 19.05 N ATOM 277 CA GLY A 19 37.149 25.965 12.863 1.00 18.72 C ATOM 278 C GLY A 19 35.862 26.715 13.139 1.00 19.03 C ATOM 279 O GLY A 19 35.900 27.844 13.617 1.00 21.15 O ATOM 280 HA3 GLY A 19 37.724 26.520 12.122 1.00 0.00 H ATOM 281 HA2 GLY A 19 37.720 25.900 13.789 1.00 0.00 H ATOM 282 H GLY A 19 36.690 23.854 13.027 1.00 0.00 H ATOM 283 N GLN A 20 34.729 26.132 12.758 1.00 16.93 N ATOM 284 CA GLN A 20 33.429 26.761 12.994 1.00 15.16 C ATOM 285 C GLN A 20 32.776 26.011 14.107 1.00 13.88 C ATOM 286 O GLN A 20 33.067 24.830 14.312 1.00 15.06 O ATOM 287 CB GLN A 20 32.523 26.695 11.761 1.00 13.89 C ATOM 288 CG GLN A 20 33.077 27.399 10.536 1.00 13.74 C ATOM 289 CD GLN A 20 32.059 27.511 9.416 1.00 13.28 C ATOM 290 OE1 GLN A 20 31.700 26.513 8.778 1.00 13.53 O ATOM 291 NE2 GLN A 20 31.585 28.730 9.167 1.00 12.50 N ATOM 292 HA GLN A 20 33.581 27.814 13.232 1.00 0.00 H ATOM 293 HB2 GLN A 20 32.365 25.646 11.509 1.00 0.00 H ATOM 294 HB3 GLN A 20 31.567 27.154 12.015 1.00 0.00 H ATOM 295 HG2 GLN A 20 33.393 28.402 10.823 1.00 0.00 H ATOM 296 HG3 GLN A 20 33.938 26.839 10.171 1.00 0.00 H ATOM 297 HE22 GLN A 20 31.915 29.541 9.728 1.00 0.00 H ATOM 298 HE21 GLN A 20 30.885 28.871 8.411 1.00 0.00 H ATOM 299 H GLN A 20 34.768 25.208 12.282 1.00 0.00 H ATOM 300 N THR A 21 31.885 26.698 14.816 1.00 12.80 N ATOM 301 CA THR A 21 31.165 26.102 15.923 1.00 12.14 C ATOM 302 C THR A 21 29.784 25.748 15.448 1.00 11.19 C ATOM 303 O THR A 21 29.059 26.597 14.933 1.00 10.47 O ATOM 304 CB THR A 21 31.068 27.073 17.105 1.00 13.46 C ATOM 305 OG1 THR A 21 32.385 27.297 17.619 1.00 12.68 O ATOM 306 CG2 THR A 21 30.174 26.504 18.222 1.00 14.92 C ATOM 307 HA THR A 21 31.698 25.214 16.262 1.00 0.00 H ATOM 308 HB THR A 21 30.624 28.007 16.759 1.00 0.00 H ATOM 309 HG1 THR A 21 32.337 27.923 18.384 1.00 0.00 H ATOM 310 HG23 THR A 21 29.171 26.333 17.831 1.00 0.00 H ATOM 311 HG21 THR A 21 30.593 25.562 18.576 1.00 0.00 H ATOM 312 HG22 THR A 21 30.128 27.215 19.047 1.00 0.00 H ATOM 313 H THR A 21 31.700 27.691 14.569 1.00 0.00 H ATOM 314 N CYS A 22 29.470 24.469 15.534 1.00 9.70 N ATOM 315 CA CYS A 22 28.167 23.990 15.131 1.00 10.07 C ATOM 316 C CYS A 22 27.275 24.090 16.348 1.00 9.31 C ATOM 317 O CYS A 22 27.686 23.698 17.451 1.00 10.38 O ATOM 318 CB CYS A 22 28.242 22.518 14.697 1.00 10.43 C ATOM 319 SG CYS A 22 29.195 22.163 13.205 1.00 9.76 S ATOM 320 HA CYS A 22 27.790 24.576 14.293 1.00 0.00 H ATOM 321 HB2 CYS A 22 27.223 22.170 14.529 1.00 0.00 H ATOM 322 HB3 CYS A 22 28.687 21.954 15.516 1.00 0.00 H ATOM 323 HG CYS A 22 29.164 20.806 12.953 1.00 0.00 H ATOM 324 H CYS A 22 30.172 23.794 15.898 1.00 0.00 H ATOM 325 N VAL A 23 26.099 24.686 16.164 1.00 8.82 N ATOM 326 CA VAL A 23 25.116 24.787 17.243 1.00 8.41 C ATOM 327 C VAL A 23 23.936 23.915 16.811 1.00 8.35 C ATOM 328 O VAL A 23 23.337 24.138 15.761 1.00 6.73 O ATOM 329 CB VAL A 23 24.688 26.235 17.510 1.00 9.18 C ATOM 330 CG1 VAL A 23 23.708 26.291 18.711 1.00 7.07 C ATOM 331 CG2 VAL A 23 25.939 27.075 17.797 1.00 8.87 C ATOM 332 HA VAL A 23 25.539 24.446 18.188 1.00 0.00 H ATOM 333 HB VAL A 23 24.174 26.635 16.636 1.00 0.00 H ATOM 334 HG11 VAL A 23 22.825 25.693 18.486 1.00 0.00 H ATOM 335 HG12 VAL A 23 24.200 25.894 19.599 1.00 0.00 H ATOM 336 HG13 VAL A 23 23.412 27.325 18.889 1.00 0.00 H ATOM 337 HG21 VAL A 23 26.452 26.674 18.671 1.00 0.00 H ATOM 338 HG22 VAL A 23 26.605 27.039 16.935 1.00 0.00 H ATOM 339 HG23 VAL A 23 25.646 28.107 17.988 1.00 0.00 H ATOM 340 H VAL A 23 25.874 25.089 15.232 1.00 0.00 H ATOM 341 N VAL A 24 23.646 22.882 17.601 1.00 7.60 N ATOM 342 CA VAL A 24 22.581 21.950 17.258 1.00 7.77 C ATOM 343 C VAL A 24 21.698 21.593 18.434 1.00 7.91 C ATOM 344 O VAL A 24 22.010 21.921 19.569 1.00 8.10 O ATOM 345 CB VAL A 24 23.176 20.565 16.750 1.00 7.83 C ATOM 346 CG1 VAL A 24 24.071 20.745 15.544 1.00 8.16 C ATOM 347 CG2 VAL A 24 23.938 19.860 17.870 1.00 6.90 C ATOM 348 HA VAL A 24 22.004 22.466 16.491 1.00 0.00 H ATOM 349 HB VAL A 24 22.333 19.944 16.449 1.00 0.00 H ATOM 350 HG11 VAL A 24 23.498 21.190 14.731 1.00 0.00 H ATOM 351 HG12 VAL A 24 24.903 21.400 15.805 1.00 0.00 H ATOM 352 HG13 VAL A 24 24.456 19.774 15.230 1.00 0.00 H ATOM 353 HG21 VAL A 24 24.759 20.495 18.205 1.00 0.00 H ATOM 354 HG22 VAL A 24 23.262 19.669 18.703 1.00 0.00 H ATOM 355 HG23 VAL A 24 24.335 18.915 17.499 1.00 0.00 H ATOM 356 H VAL A 24 24.189 22.739 18.476 1.00 0.00 H ATOM 357 N HIS A 25 20.585 20.926 18.124 1.00 8.73 N ATOM 358 CA HIS A 25 19.648 20.366 19.108 1.00 8.52 C ATOM 359 C HIS A 25 19.527 18.903 18.677 1.00 8.36 C ATOM 360 O HIS A 25 19.506 18.597 17.486 1.00 7.63 O ATOM 361 CB HIS A 25 18.270 21.025 19.073 1.00 9.80 C ATOM 362 CG HIS A 25 18.040 22.002 20.189 1.00 12.94 C ATOM 363 ND1 HIS A 25 18.551 21.821 21.460 1.00 13.60 N ATOM 364 CD2 HIS A 25 17.375 23.180 20.219 1.00 13.17 C ATOM 365 CE1 HIS A 25 18.212 22.844 22.223 1.00 13.00 C ATOM 366 NE2 HIS A 25 17.498 23.684 21.494 1.00 15.58 N ATOM 367 HA HIS A 25 20.007 20.516 20.126 1.00 0.00 H ATOM 368 HB2 HIS A 25 18.165 21.553 18.125 1.00 0.00 H ATOM 369 HB3 HIS A 25 17.513 20.244 19.138 1.00 0.00 H ATOM 370 HD2 HIS A 25 16.842 23.643 19.389 1.00 0.00 H ATOM 371 HE1 HIS A 25 18.475 22.973 23.273 1.00 0.00 H ATOM 372 H HIS A 25 20.365 20.793 17.116 1.00 0.00 H ATOM 373 N TYR A 26 19.521 17.998 19.640 1.00 7.43 N ATOM 374 CA TYR A 26 19.410 16.591 19.308 1.00 8.03 C ATOM 375 C TYR A 26 18.683 15.793 20.375 1.00 8.36 C ATOM 376 O TYR A 26 18.450 16.263 21.490 1.00 7.60 O ATOM 377 CB TYR A 26 20.817 15.978 19.133 1.00 6.06 C ATOM 378 CG TYR A 26 21.638 15.959 20.413 1.00 5.98 C ATOM 379 CD1 TYR A 26 21.567 14.874 21.301 1.00 5.57 C ATOM 380 CD2 TYR A 26 22.442 17.046 20.765 1.00 5.47 C ATOM 381 CE1 TYR A 26 22.260 14.873 22.493 1.00 5.45 C ATOM 382 CE2 TYR A 26 23.133 17.058 21.950 1.00 7.10 C ATOM 383 CZ TYR A 26 23.045 15.961 22.819 1.00 6.95 C ATOM 384 OH TYR A 26 23.786 15.967 23.986 1.00 7.17 O ATOM 385 HA TYR A 26 18.836 16.537 18.383 1.00 0.00 H ATOM 386 HB3 TYR A 26 21.356 16.561 18.386 1.00 0.00 H ATOM 387 HB2 TYR A 26 20.705 14.953 18.780 1.00 0.00 H ATOM 388 HD2 TYR A 26 22.521 17.897 20.088 1.00 0.00 H ATOM 389 HE2 TYR A 26 23.749 17.918 22.215 1.00 0.00 H ATOM 390 HE1 TYR A 26 22.189 14.022 23.171 1.00 0.00 H ATOM 391 HD1 TYR A 26 20.950 14.013 21.042 1.00 0.00 H ATOM 392 HH TYR A 26 23.617 15.130 24.487 1.00 0.00 H ATOM 393 H TYR A 26 19.596 18.294 20.634 1.00 0.00 H ATOM 394 N THR A 27 18.311 14.581 19.988 1.00 8.26 N ATOM 395 CA THR A 27 17.720 13.611 20.887 1.00 8.52 C ATOM 396 C THR A 27 18.493 12.339 20.550 1.00 8.11 C ATOM 397 O THR A 27 18.661 12.009 19.376 1.00 7.82 O ATOM 398 CB THR A 27 16.225 13.401 20.646 1.00 9.60 C ATOM 399 OG1 THR A 27 15.546 14.657 20.823 1.00 11.86 O ATOM 400 CG2 THR A 27 15.665 12.344 21.671 1.00 9.18 C ATOM 401 HA THR A 27 17.786 13.925 21.929 1.00 0.00 H ATOM 402 HB THR A 27 16.061 13.032 19.633 1.00 0.00 H ATOM 403 HG1 THR A 27 15.901 15.317 20.176 1.00 0.00 H ATOM 404 HG23 THR A 27 16.183 11.395 21.532 1.00 0.00 H ATOM 405 HG21 THR A 27 15.828 12.703 22.687 1.00 0.00 H ATOM 406 HG22 THR A 27 14.597 12.205 21.501 1.00 0.00 H ATOM 407 H THR A 27 18.450 14.314 18.992 1.00 0.00 H ATOM 408 N GLY A 28 19.049 11.696 21.566 1.00 8.36 N ATOM 409 CA GLY A 28 19.811 10.488 21.334 1.00 8.85 C ATOM 410 C GLY A 28 19.061 9.291 21.856 1.00 9.71 C ATOM 411 O GLY A 28 18.589 9.297 22.994 1.00 10.00 O ATOM 412 HA3 GLY A 28 20.770 10.563 21.846 1.00 0.00 H ATOM 413 HA2 GLY A 28 19.980 10.369 20.264 1.00 0.00 H ATOM 414 H GLY A 28 18.937 12.061 22.534 1.00 0.00 H ATOM 415 N MET A 29 18.917 8.277 21.015 1.00 10.49 N ATOM 416 CA MET A 29 18.219 7.041 21.396 1.00 12.99 C ATOM 417 C MET A 29 19.001 5.772 21.087 1.00 12.38 C ATOM 418 O MET A 29 19.718 5.708 20.094 1.00 10.82 O ATOM 419 CB MET A 29 16.874 6.956 20.693 1.00 15.97 C ATOM 420 CG MET A 29 15.851 7.859 21.310 1.00 22.53 C ATOM 421 SD MET A 29 14.798 8.467 20.067 1.00 30.55 S ATOM 422 CE MET A 29 16.005 9.476 18.962 1.00 28.90 C ATOM 423 HA MET A 29 18.098 7.098 22.478 1.00 0.00 H ATOM 424 HB2 MET A 29 17.006 7.238 19.648 1.00 0.00 H ATOM 425 HB3 MET A 29 16.514 5.929 20.748 1.00 0.00 H ATOM 426 HG2 MET A 29 16.351 8.692 21.804 1.00 0.00 H ATOM 427 HG3 MET A 29 15.267 7.302 22.042 1.00 0.00 H ATOM 428 HE1 MET A 29 16.463 10.268 19.555 1.00 0.00 H ATOM 429 HE2 MET A 29 16.781 8.815 18.575 1.00 0.00 H ATOM 430 HE3 MET A 29 15.453 9.916 18.131 1.00 0.00 H ATOM 431 H MET A 29 19.310 8.358 20.056 1.00 0.00 H ATOM 432 N LEU A 30 18.869 4.783 21.967 1.00 13.19 N ATOM 433 CA LEU A 30 19.526 3.489 21.793 1.00 15.75 C ATOM 434 C LEU A 30 18.674 2.612 20.904 1.00 18.04 C ATOM 435 O LEU A 30 17.602 3.017 20.443 1.00 17.12 O ATOM 436 CB LEU A 30 19.707 2.789 23.148 1.00 15.96 C ATOM 437 CG LEU A 30 20.563 3.548 24.177 1.00 17.22 C ATOM 438 CD1 LEU A 30 20.500 2.881 25.536 1.00 17.33 C ATOM 439 CD2 LEU A 30 22.009 3.663 23.679 1.00 16.03 C ATOM 440 HA LEU A 30 20.504 3.654 21.341 1.00 0.00 H ATOM 441 HB2 LEU A 30 18.719 2.635 23.581 1.00 0.00 H ATOM 442 HB3 LEU A 30 20.178 1.823 22.967 1.00 0.00 H ATOM 443 HG LEU A 30 20.159 4.554 24.290 1.00 0.00 H ATOM 444 HD21 LEU A 30 22.423 2.665 23.536 1.00 0.00 H ATOM 445 HD22 LEU A 30 22.024 4.203 22.733 1.00 0.00 H ATOM 446 HD23 LEU A 30 22.604 4.202 24.416 1.00 0.00 H ATOM 447 HD11 LEU A 30 19.467 2.865 25.884 1.00 0.00 H ATOM 448 HD12 LEU A 30 20.873 1.860 25.456 1.00 0.00 H ATOM 449 HD13 LEU A 30 21.114 3.439 26.242 1.00 0.00 H ATOM 450 H LEU A 30 18.277 4.936 22.809 1.00 0.00 H ATOM 451 N GLU A 31 19.148 1.388 20.709 1.00 21.10 N ATOM 452 CA GLU A 31 18.454 0.382 19.900 1.00 23.90 C ATOM 453 C GLU A 31 17.075 -0.030 20.485 1.00 24.16 C ATOM 454 O GLU A 31 16.094 -0.181 19.746 1.00 25.94 O ATOM 455 CB GLU A 31 19.365 -0.852 19.746 1.00 24.34 C ATOM 456 CG GLU A 31 20.650 -0.580 18.935 1.00 24.50 C ATOM 457 CD GLU A 31 21.748 -1.633 19.148 1.00 24.22 C ATOM 458 OE1 GLU A 31 22.746 -1.304 19.823 1.00 21.59 O ATOM 459 OE2 GLU A 31 21.613 -2.774 18.640 1.00 25.01 O ATOM 460 HA GLU A 31 18.246 0.827 18.927 1.00 0.00 H ATOM 461 HB2 GLU A 31 19.652 -1.194 20.740 1.00 0.00 H ATOM 462 HB3 GLU A 31 18.800 -1.636 19.242 1.00 0.00 H ATOM 463 HG2 GLU A 31 20.392 -0.561 17.876 1.00 0.00 H ATOM 464 HG3 GLU A 31 21.044 0.393 19.229 1.00 0.00 H ATOM 465 H GLU A 31 20.054 1.131 21.151 1.00 0.00 H ATOM 466 N ASP A 32 17.017 -0.211 21.807 1.00 24.51 N ATOM 467 CA ASP A 32 15.790 -0.602 22.512 1.00 24.59 C ATOM 468 C ASP A 32 14.733 0.510 22.542 1.00 24.84 C ATOM 469 O ASP A 32 13.712 0.372 23.221 1.00 26.63 O ATOM 470 CB ASP A 32 16.128 -1.017 23.948 1.00 23.86 C ATOM 471 CG ASP A 32 16.674 0.132 24.780 1.00 25.21 C ATOM 472 OD1 ASP A 32 16.759 1.272 24.277 1.00 23.38 O ATOM 473 OD2 ASP A 32 17.030 -0.100 25.955 1.00 27.12 O ATOM 474 HA ASP A 32 15.363 -1.439 21.959 1.00 0.00 H ATOM 475 HB2 ASP A 32 15.223 -1.393 24.424 1.00 0.00 H ATOM 476 HB3 ASP A 32 16.876 -1.810 23.915 1.00 0.00 H ATOM 477 H ASP A 32 17.883 -0.068 22.364 1.00 0.00 H ATOM 478 N GLY A 33 15.017 1.621 21.857 1.00 23.69 N ATOM 479 CA GLY A 33 14.105 2.755 21.811 1.00 21.36 C ATOM 480 C GLY A 33 14.159 3.690 23.019 1.00 19.42 C ATOM 481 O GLY A 33 13.339 4.608 23.140 1.00 19.46 O ATOM 482 HA3 GLY A 33 13.090 2.367 21.731 1.00 0.00 H ATOM 483 HA2 GLY A 33 14.340 3.340 20.922 1.00 0.00 H ATOM 484 H GLY A 33 15.918 1.678 21.340 1.00 0.00 H ATOM 485 N LYS A 34 15.070 3.443 23.949 1.00 16.34 N ATOM 486 CA LYS A 34 15.156 4.317 25.112 1.00 14.79 C ATOM 487 C LYS A 34 16.010 5.544 24.807 1.00 12.22 C ATOM 488 O LYS A 34 17.016 5.443 24.132 1.00 10.37 O ATOM 489 CB LYS A 34 15.712 3.572 26.335 1.00 16.88 C ATOM 490 CG LYS A 34 14.659 2.869 27.189 1.00 19.72 C ATOM 491 CD LYS A 34 13.802 1.937 26.335 1.00 24.72 C ATOM 492 CE LYS A 34 12.858 1.055 27.167 1.00 26.31 C ATOM 493 NZ LYS A 34 12.218 0.012 26.313 1.00 28.55 N ATOM 494 HA LYS A 34 14.144 4.646 25.349 1.00 0.00 H ATOM 495 HB2 LYS A 34 16.420 2.822 25.983 1.00 0.00 H ATOM 496 HB3 LYS A 34 16.233 4.294 26.964 1.00 0.00 H ATOM 497 HG2 LYS A 34 15.158 2.287 27.964 1.00 0.00 H ATOM 498 HG3 LYS A 34 14.018 3.618 27.655 1.00 0.00 H ATOM 499 HD2 LYS A 34 13.202 2.542 25.655 1.00 0.00 H ATOM 500 HD3 LYS A 34 14.462 1.290 25.757 1.00 0.00 H ATOM 501 HE2 LYS A 34 12.083 1.680 27.610 1.00 0.00 H ATOM 502 HE3 LYS A 34 13.428 0.569 27.959 1.00 0.00 H ATOM 503 HZ1 LYS A 34 11.670 0.472 25.558 1.00 0.00 H ATOM 504 HZ2 LYS A 34 12.955 -0.589 25.891 1.00 0.00 H ATOM 505 HZ3 LYS A 34 11.585 -0.571 26.896 1.00 0.00 H ATOM 506 H LYS A 34 15.716 2.634 23.850 1.00 0.00 H ATOM 507 N LYS A 35 15.563 6.707 25.256 1.00 9.56 N ATOM 508 CA LYS A 35 16.305 7.946 25.051 1.00 10.39 C ATOM 509 C LYS A 35 17.434 8.069 26.088 1.00 9.63 C ATOM 510 O LYS A 35 17.197 7.892 27.283 1.00 11.98 O ATOM 511 CB LYS A 35 15.347 9.140 25.153 1.00 9.87 C ATOM 512 CG LYS A 35 16.024 10.471 25.403 1.00 10.92 C ATOM 513 CD LYS A 35 15.075 11.628 25.225 1.00 11.83 C ATOM 514 CE LYS A 35 13.962 11.584 26.202 1.00 13.47 C ATOM 515 NZ LYS A 35 12.874 12.524 25.754 1.00 13.62 N ATOM 516 HA LYS A 35 16.755 7.936 24.058 1.00 0.00 H ATOM 517 HB2 LYS A 35 14.791 9.211 24.218 1.00 0.00 H ATOM 518 HB3 LYS A 35 14.654 8.951 25.973 1.00 0.00 H ATOM 519 HG2 LYS A 35 16.409 10.485 26.423 1.00 0.00 H ATOM 520 HG3 LYS A 35 16.851 10.583 24.702 1.00 0.00 H ATOM 521 HD2 LYS A 35 15.625 12.559 25.359 1.00 0.00 H ATOM 522 HD3 LYS A 35 14.661 11.593 24.217 1.00 0.00 H ATOM 523 HE2 LYS A 35 14.326 11.888 27.184 1.00 0.00 H ATOM 524 HE3 LYS A 35 13.567 10.570 26.260 1.00 0.00 H ATOM 525 HZ1 LYS A 35 13.254 13.491 25.699 1.00 0.00 H ATOM 526 HZ2 LYS A 35 12.529 12.232 24.817 1.00 0.00 H ATOM 527 HZ3 LYS A 35 12.090 12.496 26.437 1.00 0.00 H ATOM 528 H LYS A 35 14.659 6.738 25.769 1.00 0.00 H ATOM 529 N PHE A 36 18.663 8.293 25.633 1.00 7.94 N ATOM 530 CA PHE A 36 19.783 8.449 26.564 1.00 7.21 C ATOM 531 C PHE A 36 20.127 9.921 26.860 1.00 7.16 C ATOM 532 O PHE A 36 20.776 10.224 27.854 1.00 8.22 O ATOM 533 CB PHE A 36 21.016 7.652 26.115 1.00 6.12 C ATOM 534 CG PHE A 36 21.514 7.994 24.737 1.00 5.66 C ATOM 535 CD1 PHE A 36 22.269 9.140 24.521 1.00 5.21 C ATOM 536 CD2 PHE A 36 21.247 7.149 23.665 1.00 5.30 C ATOM 537 CE1 PHE A 36 22.753 9.438 23.259 1.00 6.10 C ATOM 538 CE2 PHE A 36 21.722 7.428 22.399 1.00 4.41 C ATOM 539 CZ PHE A 36 22.476 8.571 22.184 1.00 6.28 C ATOM 540 HA PHE A 36 19.446 8.025 27.510 1.00 0.00 H ATOM 541 HB2 PHE A 36 21.821 7.842 26.825 1.00 0.00 H ATOM 542 HB3 PHE A 36 20.761 6.592 26.132 1.00 0.00 H ATOM 543 HD2 PHE A 36 20.652 6.250 23.827 1.00 0.00 H ATOM 544 HE2 PHE A 36 21.505 6.752 21.572 1.00 0.00 H ATOM 545 HZ PHE A 36 22.853 8.798 21.187 1.00 0.00 H ATOM 546 HE1 PHE A 36 23.345 10.339 23.098 1.00 0.00 H ATOM 547 HD1 PHE A 36 22.482 9.811 25.353 1.00 0.00 H ATOM 548 H PHE A 36 18.830 8.358 24.609 1.00 0.00 H ATOM 549 N ASP A 37 19.642 10.824 26.011 1.00 7.26 N ATOM 550 CA ASP A 37 19.848 12.258 26.177 1.00 7.87 C ATOM 551 C ASP A 37 19.054 13.062 25.144 1.00 8.51 C ATOM 552 O ASP A 37 18.650 12.530 24.109 1.00 9.04 O ATOM 553 CB ASP A 37 21.326 12.618 26.029 1.00 7.57 C ATOM 554 CG ASP A 37 21.613 14.039 26.462 1.00 8.98 C ATOM 555 OD1 ASP A 37 20.946 14.528 27.393 1.00 9.42 O ATOM 556 OD2 ASP A 37 22.500 14.681 25.877 1.00 9.46 O ATOM 557 HA ASP A 37 19.500 12.510 27.179 1.00 0.00 H ATOM 558 HB2 ASP A 37 21.917 11.938 26.642 1.00 0.00 H ATOM 559 HB3 ASP A 37 21.613 12.504 24.983 1.00 0.00 H ATOM 560 H ASP A 37 19.092 10.492 25.193 1.00 0.00 H ATOM 561 N SER A 38 18.816 14.336 25.475 1.00 7.89 N ATOM 562 CA SER A 38 18.140 15.300 24.620 1.00 8.84 C ATOM 563 C SER A 38 18.555 16.722 25.040 1.00 9.55 C ATOM 564 O SER A 38 18.359 17.130 26.208 1.00 10.27 O ATOM 565 CB SER A 38 16.627 15.156 24.715 1.00 10.20 C ATOM 566 OG SER A 38 15.953 16.149 23.949 1.00 10.94 O ATOM 567 HA SER A 38 18.431 15.113 23.586 1.00 0.00 H ATOM 568 HB2 SER A 38 16.328 15.252 25.759 1.00 0.00 H ATOM 569 HB3 SER A 38 16.342 14.171 24.345 1.00 0.00 H ATOM 570 HG SER A 38 14.975 16.023 24.035 1.00 0.00 H ATOM 571 H SER A 38 19.137 14.660 26.410 1.00 0.00 H ATOM 572 N SER A 39 19.161 17.459 24.111 1.00 8.75 N ATOM 573 CA SER A 39 19.561 18.833 24.379 1.00 9.82 C ATOM 574 C SER A 39 18.275 19.653 24.520 1.00 10.22 C ATOM 575 O SER A 39 18.246 20.679 25.191 1.00 9.33 O ATOM 576 CB SER A 39 20.387 19.387 23.226 1.00 8.61 C ATOM 577 OG SER A 39 19.617 19.413 22.041 1.00 6.05 O ATOM 578 HA SER A 39 20.169 18.880 25.282 1.00 0.00 H ATOM 579 HB2 SER A 39 21.262 18.755 23.073 1.00 0.00 H ATOM 580 HB3 SER A 39 20.710 20.400 23.468 1.00 0.00 H ATOM 581 HG SER A 39 18.823 19.989 22.177 1.00 0.00 H ATOM 582 H SER A 39 19.352 17.045 23.176 1.00 0.00 H ATOM 583 N ARG A 40 17.226 19.207 23.833 1.00 10.46 N ATOM 584 CA ARG A 40 15.921 19.881 23.872 1.00 11.87 C ATOM 585 C ARG A 40 15.299 19.762 25.259 1.00 11.64 C ATOM 586 O ARG A 40 14.695 20.712 25.759 1.00 12.40 O ATOM 587 CB ARG A 40 14.970 19.298 22.816 1.00 12.66 C ATOM 588 CG ARG A 40 15.503 19.364 21.379 1.00 12.18 C ATOM 589 CD ARG A 40 14.437 18.852 20.385 1.00 13.72 C ATOM 590 NE ARG A 40 14.889 18.855 18.997 1.00 11.91 N ATOM 591 CZ ARG A 40 14.932 19.932 18.224 1.00 13.32 C ATOM 592 NH1 ARG A 40 15.365 19.829 16.970 1.00 13.32 N ATOM 593 NH2 ARG A 40 14.504 21.101 18.681 1.00 11.89 N ATOM 594 HA ARG A 40 16.081 20.935 23.647 1.00 0.00 H ATOM 595 HB2 ARG A 40 14.784 18.253 23.064 1.00 0.00 H ATOM 596 HB3 ARG A 40 14.032 19.852 22.858 1.00 0.00 H ATOM 597 HG2 ARG A 40 15.755 20.396 21.136 1.00 0.00 H ATOM 598 HG3 ARG A 40 16.397 18.745 21.298 1.00 0.00 H ATOM 599 HD2 ARG A 40 13.557 19.490 20.463 1.00 0.00 H ATOM 600 HD3 ARG A 40 14.170 17.831 20.660 1.00 0.00 H ATOM 601 HE ARG A 40 15.198 17.951 18.586 1.00 0.00 H ATOM 602 HH12 ARG A 40 15.400 20.671 16.361 1.00 0.00 H ATOM 603 HH11 ARG A 40 15.668 18.906 16.599 1.00 0.00 H ATOM 604 HH22 ARG A 40 14.540 21.943 18.071 1.00 0.00 H ATOM 605 HH21 ARG A 40 14.133 21.176 19.649 1.00 0.00 H ATOM 606 H ARG A 40 17.334 18.353 23.249 1.00 0.00 H ATOM 607 N ASP A 41 15.451 18.593 25.879 1.00 13.05 N ATOM 608 CA ASP A 41 14.933 18.367 27.228 1.00 14.07 C ATOM 609 C ASP A 41 15.705 19.182 28.255 1.00 14.34 C ATOM 610 O ASP A 41 15.144 19.669 29.238 1.00 14.96 O ATOM 611 CB ASP A 41 14.984 16.878 27.593 1.00 16.03 C ATOM 612 CG ASP A 41 13.896 16.068 26.903 1.00 16.93 C ATOM 613 OD1 ASP A 41 12.974 16.678 26.288 1.00 18.23 O ATOM 614 OD2 ASP A 41 13.967 14.815 26.988 1.00 16.03 O ATOM 615 HA ASP A 41 13.893 18.693 27.239 1.00 0.00 H ATOM 616 HB2 ASP A 41 15.955 16.480 27.300 1.00 0.00 H ATOM 617 HB3 ASP A 41 14.863 16.778 28.672 1.00 0.00 H ATOM 618 H ASP A 41 15.950 17.822 25.392 1.00 0.00 H ATOM 619 N ARG A 42 17.000 19.338 28.024 1.00 13.59 N ATOM 620 CA ARG A 42 17.836 20.119 28.924 1.00 13.46 C ATOM 621 C ARG A 42 17.783 21.604 28.580 1.00 12.73 C ATOM 622 O ARG A 42 18.373 22.429 29.289 1.00 12.93 O ATOM 623 CB ARG A 42 19.277 19.594 28.869 1.00 14.34 C ATOM 624 CG ARG A 42 19.337 18.112 29.277 1.00 13.67 C ATOM 625 CD ARG A 42 20.737 17.580 29.339 1.00 14.37 C ATOM 626 NE ARG A 42 21.288 17.319 28.014 1.00 10.35 N ATOM 627 CZ ARG A 42 22.051 18.160 27.328 1.00 10.00 C ATOM 628 NH1 ARG A 42 22.494 17.799 26.124 1.00 8.90 N ATOM 629 NH2 ARG A 42 22.343 19.359 27.825 1.00 7.70 N ATOM 630 HA ARG A 42 17.455 20.009 29.939 1.00 0.00 H ATOM 631 HB2 ARG A 42 19.657 19.701 27.853 1.00 0.00 H ATOM 632 HB3 ARG A 42 19.896 20.177 29.551 1.00 0.00 H ATOM 633 HG2 ARG A 42 18.879 18.003 30.260 1.00 0.00 H ATOM 634 HG3 ARG A 42 18.774 17.528 28.549 1.00 0.00 H ATOM 635 HD2 ARG A 42 20.734 16.650 29.907 1.00 0.00 H ATOM 636 HD3 ARG A 42 21.368 18.311 29.844 1.00 0.00 H ATOM 637 HE ARG A 42 21.066 16.404 27.573 1.00 0.00 H ATOM 638 HH12 ARG A 42 23.093 18.448 25.574 1.00 0.00 H ATOM 639 HH11 ARG A 42 22.241 16.869 25.734 1.00 0.00 H ATOM 640 HH22 ARG A 42 22.942 20.015 27.283 1.00 0.00 H ATOM 641 HH21 ARG A 42 21.973 19.641 28.755 1.00 0.00 H ATOM 642 H ARG A 42 17.427 18.895 27.185 1.00 0.00 H ATOM 643 N ASN A 43 17.037 21.932 27.524 1.00 10.78 N ATOM 644 CA ASN A 43 16.903 23.301 27.018 1.00 12.83 C ATOM 645 C ASN A 43 18.288 23.924 26.902 1.00 13.46 C ATOM 646 O ASN A 43 18.543 25.000 27.413 1.00 14.61 O ATOM 647 CB ASN A 43 16.008 24.174 27.919 1.00 13.74 C ATOM 648 CG ASN A 43 15.756 25.572 27.325 1.00 14.58 C ATOM 649 OD1 ASN A 43 15.510 26.539 28.055 1.00 16.47 O ATOM 650 ND2 ASN A 43 15.824 25.676 26.008 1.00 14.88 N ATOM 651 HA ASN A 43 16.422 23.254 26.041 1.00 0.00 H ATOM 652 HB2 ASN A 43 15.049 23.672 28.051 1.00 0.00 H ATOM 653 HB3 ASN A 43 16.493 24.288 28.888 1.00 0.00 H ATOM 654 HD22 ASN A 43 16.034 24.837 25.430 1.00 0.00 H ATOM 655 HD21 ASN A 43 15.668 26.597 25.550 1.00 0.00 H ATOM 656 H ASN A 43 16.522 21.174 27.032 1.00 0.00 H ATOM 657 N LYS A 44 19.184 23.237 26.212 1.00 14.17 N ATOM 658 CA LYS A 44 20.530 23.722 26.067 1.00 12.79 C ATOM 659 C LYS A 44 21.122 23.201 24.789 1.00 12.25 C ATOM 660 O LYS A 44 21.507 22.033 24.703 1.00 11.25 O ATOM 661 CB LYS A 44 21.372 23.259 27.237 1.00 15.10 C ATOM 662 CG LYS A 44 22.643 24.037 27.434 1.00 17.08 C ATOM 663 CD LYS A 44 23.187 23.722 28.824 1.00 20.71 C ATOM 664 CE LYS A 44 22.132 24.071 29.912 1.00 21.36 C ATOM 665 NZ LYS A 44 22.353 23.327 31.162 1.00 17.68 N ATOM 666 HA LYS A 44 20.514 24.812 26.042 1.00 0.00 H ATOM 667 HB2 LYS A 44 20.774 23.347 28.144 1.00 0.00 H ATOM 668 HB3 LYS A 44 21.634 22.213 27.076 1.00 0.00 H ATOM 669 HG2 LYS A 44 23.373 23.748 26.678 1.00 0.00 H ATOM 670 HG3 LYS A 44 22.439 25.104 27.351 1.00 0.00 H ATOM 671 HD2 LYS A 44 23.427 22.660 28.884 1.00 0.00 H ATOM 672 HD3 LYS A 44 24.090 24.308 28.998 1.00 0.00 H ATOM 673 HE2 LYS A 44 21.140 23.829 29.530 1.00 0.00 H ATOM 674 HE3 LYS A 44 22.187 25.139 30.125 1.00 0.00 H ATOM 675 HZ1 LYS A 44 22.295 22.306 30.971 1.00 0.00 H ATOM 676 HZ2 LYS A 44 23.294 23.557 31.539 1.00 0.00 H ATOM 677 HZ3 LYS A 44 21.625 23.593 31.856 1.00 0.00 H ATOM 678 H LYS A 44 18.912 22.336 25.770 1.00 0.00 H ATOM 679 N PRO A 45 21.123 24.047 23.749 1.00 11.73 N ATOM 680 CA PRO A 45 21.661 23.727 22.434 1.00 9.99 C ATOM 681 C PRO A 45 23.087 23.229 22.614 1.00 10.35 C ATOM 682 O PRO A 45 23.831 23.741 23.453 1.00 9.77 O ATOM 683 CB PRO A 45 21.616 25.085 21.718 1.00 11.64 C ATOM 684 CG PRO A 45 20.387 25.692 22.273 1.00 13.23 C ATOM 685 CD PRO A 45 20.501 25.384 23.752 1.00 11.37 C ATOM 686 HA PRO A 45 21.125 22.955 21.882 1.00 0.00 H ATOM 687 HD3 PRO A 45 21.133 26.113 24.259 1.00 0.00 H ATOM 688 HD2 PRO A 45 19.520 25.362 24.228 1.00 0.00 H ATOM 689 HG3 PRO A 45 19.495 25.236 21.844 1.00 0.00 H ATOM 690 HG2 PRO A 45 20.365 26.767 22.096 1.00 0.00 H ATOM 691 HB2 PRO A 45 22.495 25.685 21.954 1.00 0.00 H ATOM 692 HB3 PRO A 45 21.542 24.960 20.638 1.00 0.00 H ATOM 693 N PHE A 46 23.456 22.195 21.864 1.00 9.86 N ATOM 694 CA PHE A 46 24.793 21.630 21.968 1.00 9.83 C ATOM 695 C PHE A 46 25.692 22.283 20.930 1.00 9.83 C ATOM 696 O PHE A 46 25.341 22.388 19.758 1.00 10.66 O ATOM 697 CB PHE A 46 24.767 20.104 21.783 1.00 9.33 C ATOM 698 CG PHE A 46 26.135 19.456 21.846 1.00 9.73 C ATOM 699 CD1 PHE A 46 26.795 19.301 23.060 1.00 11.47 C ATOM 700 CD2 PHE A 46 26.759 19.003 20.690 1.00 10.39 C ATOM 701 CE1 PHE A 46 28.084 18.689 23.110 1.00 11.41 C ATOM 702 CE2 PHE A 46 28.018 18.401 20.724 1.00 10.50 C ATOM 703 CZ PHE A 46 28.679 18.243 21.933 1.00 11.36 C ATOM 704 HA PHE A 46 25.186 21.829 22.965 1.00 0.00 H ATOM 705 HB2 PHE A 46 24.146 19.673 22.568 1.00 0.00 H ATOM 706 HB3 PHE A 46 24.326 19.883 20.811 1.00 0.00 H ATOM 707 HD2 PHE A 46 26.252 19.121 19.732 1.00 0.00 H ATOM 708 HE2 PHE A 46 28.482 18.055 19.800 1.00 0.00 H ATOM 709 HZ PHE A 46 29.661 17.771 21.962 1.00 0.00 H ATOM 710 HE1 PHE A 46 28.599 18.572 24.064 1.00 0.00 H ATOM 711 HD1 PHE A 46 26.325 19.649 23.980 1.00 0.00 H ATOM 712 H PHE A 46 22.778 21.783 21.192 1.00 0.00 H ATOM 713 N LYS A 47 26.839 22.760 21.389 1.00 9.53 N ATOM 714 CA LYS A 47 27.800 23.413 20.522 1.00 10.11 C ATOM 715 C LYS A 47 29.115 22.653 20.526 1.00 10.07 C ATOM 716 O LYS A 47 29.587 22.197 21.567 1.00 10.02 O ATOM 717 CB LYS A 47 28.049 24.850 20.984 1.00 10.57 C ATOM 718 CG LYS A 47 26.806 25.727 21.088 1.00 12.30 C ATOM 719 CD LYS A 47 27.239 27.131 21.442 1.00 13.12 C ATOM 720 CE LYS A 47 26.087 28.059 21.701 1.00 13.53 C ATOM 721 NZ LYS A 47 26.650 29.419 21.874 1.00 14.72 N ATOM 722 HA LYS A 47 27.391 23.426 19.512 1.00 0.00 H ATOM 723 HB2 LYS A 47 28.517 24.811 21.968 1.00 0.00 H ATOM 724 HB3 LYS A 47 28.733 25.318 20.276 1.00 0.00 H ATOM 725 HG2 LYS A 47 26.279 25.734 20.134 1.00 0.00 H ATOM 726 HG3 LYS A 47 26.145 25.339 21.863 1.00 0.00 H ATOM 727 HD2 LYS A 47 27.857 27.087 22.339 1.00 0.00 H ATOM 728 HD3 LYS A 47 27.827 27.531 20.616 1.00 0.00 H ATOM 729 HE2 LYS A 47 25.558 27.756 22.605 1.00 0.00 H ATOM 730 HE3 LYS A 47 25.398 28.044 20.856 1.00 0.00 H ATOM 731 HZ1 LYS A 47 27.309 29.420 22.678 1.00 0.00 H ATOM 732 HZ2 LYS A 47 27.156 29.696 21.009 1.00 0.00 H ATOM 733 HZ3 LYS A 47 25.878 30.092 22.056 1.00 0.00 H ATOM 734 H LYS A 47 27.057 22.663 22.401 1.00 0.00 H ATOM 735 N PHE A 48 29.679 22.472 19.343 1.00 10.14 N ATOM 736 CA PHE A 48 30.954 21.792 19.227 1.00 11.02 C ATOM 737 C PHE A 48 31.714 22.292 17.999 1.00 11.22 C ATOM 738 O PHE A 48 31.133 22.853 17.069 1.00 9.52 O ATOM 739 CB PHE A 48 30.770 20.275 19.200 1.00 9.55 C ATOM 740 CG PHE A 48 30.342 19.736 17.859 1.00 8.36 C ATOM 741 CD1 PHE A 48 28.994 19.734 17.487 1.00 9.48 C ATOM 742 CD2 PHE A 48 31.290 19.226 16.972 1.00 8.38 C ATOM 743 CE1 PHE A 48 28.601 19.230 16.251 1.00 9.05 C ATOM 744 CE2 PHE A 48 30.902 18.720 15.725 1.00 8.23 C ATOM 745 CZ PHE A 48 29.565 18.723 15.369 1.00 7.65 C ATOM 746 HA PHE A 48 31.552 22.025 20.108 1.00 0.00 H ATOM 747 HB2 PHE A 48 31.717 19.809 19.471 1.00 0.00 H ATOM 748 HB3 PHE A 48 30.011 20.008 19.936 1.00 0.00 H ATOM 749 HD2 PHE A 48 32.343 19.221 17.252 1.00 0.00 H ATOM 750 HE2 PHE A 48 31.650 18.325 15.038 1.00 0.00 H ATOM 751 HZ PHE A 48 29.260 18.330 14.399 1.00 0.00 H ATOM 752 HE1 PHE A 48 27.548 19.229 15.970 1.00 0.00 H ATOM 753 HD1 PHE A 48 28.244 20.131 18.171 1.00 0.00 H ATOM 754 H PHE A 48 29.203 22.821 18.487 1.00 0.00 H ATOM 755 N MET A 49 33.027 22.148 18.039 1.00 13.14 N ATOM 756 CA MET A 49 33.857 22.601 16.946 1.00 15.65 C ATOM 757 C MET A 49 34.444 21.421 16.186 1.00 16.16 C ATOM 758 O MET A 49 35.071 20.529 16.772 1.00 16.24 O ATOM 759 CB MET A 49 34.961 23.484 17.496 1.00 18.17 C ATOM 760 CG MET A 49 35.358 24.593 16.576 1.00 22.41 C ATOM 761 SD MET A 49 36.237 25.860 17.494 1.00 27.69 S ATOM 762 CE MET A 49 35.040 26.168 18.814 1.00 26.96 C ATOM 763 HA MET A 49 33.248 23.174 16.247 1.00 0.00 H ATOM 764 HB2 MET A 49 34.618 23.921 18.434 1.00 0.00 H ATOM 765 HB3 MET A 49 35.837 22.863 17.685 1.00 0.00 H ATOM 766 HG2 MET A 49 34.465 25.026 16.125 1.00 0.00 H ATOM 767 HG3 MET A 49 36.005 24.199 15.792 1.00 0.00 H ATOM 768 HE1 MET A 49 34.099 26.505 18.378 1.00 0.00 H ATOM 769 HE2 MET A 49 34.873 25.248 19.374 1.00 0.00 H ATOM 770 HE3 MET A 49 35.428 26.936 19.483 1.00 0.00 H ATOM 771 H MET A 49 33.469 21.703 18.868 1.00 0.00 H ATOM 772 N LEU A 50 34.186 21.381 14.885 1.00 15.21 N ATOM 773 CA LEU A 50 34.726 20.311 14.083 1.00 16.27 C ATOM 774 C LEU A 50 36.250 20.376 14.101 1.00 16.79 C ATOM 775 O LEU A 50 36.851 21.461 14.171 1.00 15.75 O ATOM 776 CB LEU A 50 34.253 20.411 12.629 1.00 17.13 C ATOM 777 CG LEU A 50 32.837 20.074 12.201 1.00 16.66 C ATOM 778 CD1 LEU A 50 32.795 20.303 10.711 1.00 16.87 C ATOM 779 CD2 LEU A 50 32.441 18.637 12.552 1.00 16.50 C ATOM 780 HA LEU A 50 34.376 19.369 14.505 1.00 0.00 H ATOM 781 HB2 LEU A 50 34.421 21.445 12.327 1.00 0.00 H ATOM 782 HB3 LEU A 50 34.906 19.755 12.054 1.00 0.00 H ATOM 783 HG LEU A 50 32.119 20.701 12.730 1.00 0.00 H ATOM 784 HD21 LEU A 50 33.116 17.943 12.052 1.00 0.00 H ATOM 785 HD22 LEU A 50 32.507 18.496 13.631 1.00 0.00 H ATOM 786 HD23 LEU A 50 31.419 18.452 12.222 1.00 0.00 H ATOM 787 HD11 LEU A 50 33.037 21.344 10.498 1.00 0.00 H ATOM 788 HD12 LEU A 50 33.522 19.653 10.224 1.00 0.00 H ATOM 789 HD13 LEU A 50 31.796 20.077 10.338 1.00 0.00 H ATOM 790 H LEU A 50 33.597 22.117 14.446 1.00 0.00 H ATOM 791 N GLY A 51 36.858 19.197 14.005 1.00 17.18 N ATOM 792 CA GLY A 51 38.297 19.078 13.978 1.00 19.66 C ATOM 793 C GLY A 51 38.967 19.229 15.325 1.00 21.13 C ATOM 794 O GLY A 51 40.182 19.400 15.371 1.00 22.47 O ATOM 795 HA3 GLY A 51 38.690 19.848 13.314 1.00 0.00 H ATOM 796 HA2 GLY A 51 38.550 18.095 13.581 1.00 0.00 H ATOM 797 H GLY A 51 36.280 18.335 13.948 1.00 0.00 H ATOM 798 N LYS A 52 38.210 19.187 16.417 1.00 21.73 N ATOM 799 CA LYS A 52 38.827 19.340 17.725 1.00 22.73 C ATOM 800 C LYS A 52 38.705 18.079 18.543 1.00 23.21 C ATOM 801 O LYS A 52 38.926 18.114 19.751 1.00 24.03 O ATOM 802 CB LYS A 52 38.217 20.488 18.511 1.00 23.90 C ATOM 803 CG LYS A 52 38.032 21.783 17.754 1.00 26.25 C ATOM 804 CD LYS A 52 39.345 22.412 17.349 1.00 28.47 C ATOM 805 CE LYS A 52 39.148 23.879 16.989 1.00 29.83 C ATOM 806 NZ LYS A 52 38.742 24.648 18.202 1.00 29.63 N ATOM 807 HA LYS A 52 39.879 19.556 17.539 1.00 0.00 H ATOM 808 HB2 LYS A 52 37.238 20.166 18.867 1.00 0.00 H ATOM 809 HB3 LYS A 52 38.864 20.690 19.365 1.00 0.00 H ATOM 810 HG2 LYS A 52 37.449 21.582 16.855 1.00 0.00 H ATOM 811 HG3 LYS A 52 37.490 22.484 18.388 1.00 0.00 H ATOM 812 HD2 LYS A 52 40.049 22.338 18.178 1.00 0.00 H ATOM 813 HD3 LYS A 52 39.745 21.881 16.485 1.00 0.00 H ATOM 814 HE2 LYS A 52 38.371 23.964 16.229 1.00 0.00 H ATOM 815 HE3 LYS A 52 40.082 24.285 16.599 1.00 0.00 H ATOM 816 HZ1 LYS A 52 37.851 24.262 18.573 1.00 0.00 H ATOM 817 HZ2 LYS A 52 39.484 24.568 18.926 1.00 0.00 H ATOM 818 HZ3 LYS A 52 38.609 25.648 17.949 1.00 0.00 H ATOM 819 H LYS A 52 37.183 19.046 16.336 1.00 0.00 H ATOM 820 N GLN A 53 38.346 16.970 17.895 1.00 23.60 N ATOM 821 CA GLN A 53 38.202 15.688 18.595 1.00 24.31 C ATOM 822 C GLN A 53 37.301 15.814 19.843 1.00 22.49 C ATOM 823 O GLN A 53 37.521 15.126 20.843 1.00 23.35 O ATOM 824 CB GLN A 53 39.584 15.141 19.037 1.00 25.39 C ATOM 825 CG GLN A 53 40.623 14.943 17.934 1.00 29.65 C ATOM 826 CD GLN A 53 41.425 16.212 17.599 1.00 31.20 C ATOM 827 OE1 GLN A 53 41.796 16.999 18.485 1.00 31.21 O ATOM 828 NE2 GLN A 53 41.696 16.408 16.304 1.00 32.70 N ATOM 829 HA GLN A 53 37.737 14.999 17.890 1.00 0.00 H ATOM 830 HB2 GLN A 53 40.000 15.839 19.763 1.00 0.00 H ATOM 831 HB3 GLN A 53 39.421 14.176 19.516 1.00 0.00 H ATOM 832 HG2 GLN A 53 41.321 14.170 18.255 1.00 0.00 H ATOM 833 HG3 GLN A 53 40.108 14.614 17.032 1.00 0.00 H ATOM 834 HE22 GLN A 53 41.366 15.723 15.594 1.00 0.00 H ATOM 835 HE21 GLN A 53 42.237 17.245 16.007 1.00 0.00 H ATOM 836 H GLN A 53 38.164 17.015 16.872 1.00 0.00 H ATOM 837 N GLU A 54 36.304 16.693 19.797 1.00 20.40 N ATOM 838 CA GLU A 54 35.433 16.859 20.957 1.00 19.03 C ATOM 839 C GLU A 54 34.114 16.092 20.946 1.00 16.67 C ATOM 840 O GLU A 54 33.309 16.245 21.865 1.00 18.43 O ATOM 841 CB GLU A 54 35.206 18.346 21.275 1.00 20.13 C ATOM 842 CG GLU A 54 34.925 19.232 20.092 1.00 21.47 C ATOM 843 CD GLU A 54 34.892 20.706 20.459 1.00 22.24 C ATOM 844 OE1 GLU A 54 35.960 21.359 20.541 1.00 25.29 O ATOM 845 OE2 GLU A 54 33.791 21.227 20.650 1.00 19.63 O ATOM 846 HA GLU A 54 35.995 16.385 21.761 1.00 0.00 H ATOM 847 HB2 GLU A 54 34.358 18.417 21.956 1.00 0.00 H ATOM 848 HB3 GLU A 54 36.101 18.723 21.771 1.00 0.00 H ATOM 849 HG2 GLU A 54 35.704 19.075 19.346 1.00 0.00 H ATOM 850 HG3 GLU A 54 33.959 18.955 19.670 1.00 0.00 H ATOM 851 H GLU A 54 36.146 17.259 18.939 1.00 0.00 H ATOM 852 N VAL A 55 33.871 15.316 19.888 1.00 15.15 N ATOM 853 CA VAL A 55 32.651 14.496 19.776 1.00 12.32 C ATOM 854 C VAL A 55 32.967 13.145 19.111 1.00 11.56 C ATOM 855 O VAL A 55 33.997 12.992 18.463 1.00 10.36 O ATOM 856 CB VAL A 55 31.493 15.202 18.995 1.00 12.37 C ATOM 857 CG1 VAL A 55 31.022 16.451 19.727 1.00 12.44 C ATOM 858 CG2 VAL A 55 31.888 15.494 17.571 1.00 11.92 C ATOM 859 HA VAL A 55 32.301 14.342 20.797 1.00 0.00 H ATOM 860 HB VAL A 55 30.648 14.515 18.953 1.00 0.00 H ATOM 861 HG11 VAL A 55 30.659 16.175 20.717 1.00 0.00 H ATOM 862 HG12 VAL A 55 31.854 17.149 19.825 1.00 0.00 H ATOM 863 HG13 VAL A 55 30.217 16.920 19.161 1.00 0.00 H ATOM 864 HG21 VAL A 55 32.760 16.148 17.564 1.00 0.00 H ATOM 865 HG22 VAL A 55 32.129 14.560 17.063 1.00 0.00 H ATOM 866 HG23 VAL A 55 31.060 15.984 17.059 1.00 0.00 H ATOM 867 H VAL A 55 34.567 15.289 19.115 1.00 0.00 H ATOM 868 N ILE A 56 32.085 12.166 19.282 1.00 9.17 N ATOM 869 CA ILE A 56 32.304 10.855 18.710 1.00 9.12 C ATOM 870 C ILE A 56 32.495 10.947 17.190 1.00 9.89 C ATOM 871 O ILE A 56 32.136 11.957 16.563 1.00 9.67 O ATOM 872 CB ILE A 56 31.178 9.876 19.100 1.00 8.24 C ATOM 873 CG1 ILE A 56 29.808 10.435 18.706 1.00 8.69 C ATOM 874 CG2 ILE A 56 31.301 9.514 20.604 1.00 8.72 C ATOM 875 CD1 ILE A 56 28.686 9.439 18.848 1.00 8.51 C ATOM 876 HA ILE A 56 33.227 10.451 19.127 1.00 0.00 H ATOM 877 HB ILE A 56 31.282 8.945 18.543 1.00 0.00 H ATOM 878 HG12 ILE A 56 29.590 11.293 19.342 1.00 0.00 H ATOM 879 HG13 ILE A 56 29.853 10.757 17.666 1.00 0.00 H ATOM 880 HD11 ILE A 56 28.883 8.578 18.209 1.00 0.00 H ATOM 881 HD12 ILE A 56 28.619 9.114 19.886 1.00 0.00 H ATOM 882 HD13 ILE A 56 27.747 9.906 18.551 1.00 0.00 H ATOM 883 HG21 ILE A 56 32.268 9.046 20.786 1.00 0.00 H ATOM 884 HG22 ILE A 56 31.217 10.421 21.203 1.00 0.00 H ATOM 885 HG23 ILE A 56 30.504 8.822 20.876 1.00 0.00 H ATOM 886 H ILE A 56 31.223 12.345 19.836 1.00 0.00 H ATOM 887 N ARG A 57 33.115 9.920 16.615 1.00 7.63 N ATOM 888 CA ARG A 57 33.391 9.906 15.178 1.00 9.03 C ATOM 889 C ARG A 57 32.142 10.034 14.306 1.00 8.05 C ATOM 890 O ARG A 57 32.161 10.723 13.282 1.00 7.75 O ATOM 891 CB ARG A 57 34.155 8.638 14.805 1.00 9.58 C ATOM 892 CG ARG A 57 34.717 8.662 13.395 1.00 10.82 C ATOM 893 CD ARG A 57 35.376 7.331 13.050 1.00 12.96 C ATOM 894 NE ARG A 57 35.985 7.360 11.726 1.00 15.01 N ATOM 895 CZ ARG A 57 36.887 6.482 11.294 1.00 17.35 C ATOM 896 NH1 ARG A 57 37.285 5.485 12.078 1.00 17.32 N ATOM 897 NH2 ARG A 57 37.424 6.634 10.093 1.00 16.52 N ATOM 898 HA ARG A 57 33.997 10.790 14.978 1.00 0.00 H ATOM 899 HB2 ARG A 57 34.982 8.515 15.504 1.00 0.00 H ATOM 900 HB3 ARG A 57 33.478 7.789 14.892 1.00 0.00 H ATOM 901 HG2 ARG A 57 33.907 8.853 12.691 1.00 0.00 H ATOM 902 HG3 ARG A 57 35.458 9.458 13.319 1.00 0.00 H ATOM 903 HD2 ARG A 57 34.621 6.545 13.075 1.00 0.00 H ATOM 904 HD3 ARG A 57 36.147 7.116 13.790 1.00 0.00 H ATOM 905 HE ARG A 57 35.695 8.118 11.075 1.00 0.00 H ATOM 906 HH12 ARG A 57 37.990 4.803 11.734 1.00 0.00 H ATOM 907 HH11 ARG A 57 36.891 5.387 13.036 1.00 0.00 H ATOM 908 HH22 ARG A 57 38.130 5.952 9.749 1.00 0.00 H ATOM 909 HH21 ARG A 57 37.140 7.436 9.494 1.00 0.00 H ATOM 910 H ARG A 57 33.409 9.111 17.198 1.00 0.00 H ATOM 911 N GLY A 58 31.082 9.330 14.700 1.00 7.68 N ATOM 912 CA GLY A 58 29.825 9.374 13.971 1.00 8.07 C ATOM 913 C GLY A 58 29.294 10.796 13.840 1.00 7.90 C ATOM 914 O GLY A 58 28.684 11.110 12.832 1.00 6.92 O ATOM 915 HA3 GLY A 58 29.089 8.770 14.501 1.00 0.00 H ATOM 916 HA2 GLY A 58 29.981 8.962 12.974 1.00 0.00 H ATOM 917 H GLY A 58 31.155 8.735 15.550 1.00 0.00 H ATOM 918 N TRP A 59 29.476 11.621 14.878 1.00 7.13 N ATOM 919 CA TRP A 59 29.043 13.033 14.863 1.00 8.42 C ATOM 920 C TRP A 59 29.939 13.891 13.993 1.00 9.44 C ATOM 921 O TRP A 59 29.475 14.736 13.240 1.00 8.88 O ATOM 922 CB TRP A 59 29.051 13.638 16.276 1.00 9.42 C ATOM 923 CG TRP A 59 27.717 13.584 16.907 1.00 8.85 C ATOM 924 CD1 TRP A 59 26.979 12.466 17.135 1.00 9.18 C ATOM 925 CD2 TRP A 59 26.898 14.697 17.280 1.00 8.21 C ATOM 926 NE1 TRP A 59 25.737 12.806 17.617 1.00 9.71 N ATOM 927 CE2 TRP A 59 25.661 14.174 17.722 1.00 9.08 C ATOM 928 CE3 TRP A 59 27.087 16.090 17.282 1.00 7.33 C ATOM 929 CZ2 TRP A 59 24.604 14.997 18.169 1.00 8.81 C ATOM 930 CZ3 TRP A 59 26.044 16.909 17.722 1.00 8.38 C ATOM 931 CH2 TRP A 59 24.813 16.358 18.165 1.00 7.51 C ATOM 932 HA TRP A 59 28.031 13.029 14.459 1.00 0.00 H ATOM 933 HB2 TRP A 59 29.756 13.082 16.894 1.00 0.00 H ATOM 934 HB3 TRP A 59 29.369 14.679 16.212 1.00 0.00 H ATOM 935 HE1 TRP A 59 24.979 12.137 17.862 1.00 0.00 H ATOM 936 HD1 TRP A 59 27.322 11.446 16.961 1.00 0.00 H ATOM 937 HZ2 TRP A 59 23.658 14.571 18.504 1.00 0.00 H ATOM 938 HH2 TRP A 59 24.020 17.023 18.508 1.00 0.00 H ATOM 939 HZ3 TRP A 59 26.178 17.991 17.725 1.00 0.00 H ATOM 940 HE3 TRP A 59 28.029 16.523 16.947 1.00 0.00 H ATOM 941 H TRP A 59 29.942 11.252 15.731 1.00 0.00 H ATOM 942 N GLU A 60 31.241 13.729 14.198 1.00 9.63 N ATOM 943 CA GLU A 60 32.255 14.449 13.461 1.00 11.22 C ATOM 944 C GLU A 60 32.026 14.292 11.965 1.00 10.81 C ATOM 945 O GLU A 60 32.047 15.257 11.224 1.00 12.08 O ATOM 946 CB GLU A 60 33.624 13.887 13.833 1.00 12.29 C ATOM 947 CG GLU A 60 34.796 14.753 13.414 1.00 15.60 C ATOM 948 CD GLU A 60 34.991 16.012 14.261 1.00 16.85 C ATOM 949 OE1 GLU A 60 34.552 16.104 15.426 1.00 18.47 O ATOM 950 OE2 GLU A 60 35.654 16.917 13.748 1.00 20.99 O ATOM 951 HA GLU A 60 32.206 15.509 13.712 1.00 0.00 H ATOM 952 HB2 GLU A 60 33.660 13.766 14.916 1.00 0.00 H ATOM 953 HB3 GLU A 60 33.733 12.913 13.356 1.00 0.00 H ATOM 954 HG2 GLU A 60 35.704 14.153 13.481 1.00 0.00 H ATOM 955 HG3 GLU A 60 34.640 15.059 12.380 1.00 0.00 H ATOM 956 H GLU A 60 31.546 13.051 14.925 1.00 0.00 H ATOM 957 N GLU A 61 31.825 13.064 11.525 1.00 10.35 N ATOM 958 CA GLU A 61 31.590 12.798 10.115 1.00 10.60 C ATOM 959 C GLU A 61 30.125 13.024 9.666 1.00 10.18 C ATOM 960 O GLU A 61 29.883 13.486 8.552 1.00 10.05 O ATOM 961 CB GLU A 61 32.047 11.387 9.784 1.00 10.58 C ATOM 962 CG GLU A 61 33.495 11.088 10.209 1.00 11.69 C ATOM 963 CD GLU A 61 34.015 9.764 9.634 1.00 14.70 C ATOM 964 OE1 GLU A 61 33.264 9.095 8.861 1.00 14.24 O ATOM 965 OE2 GLU A 61 35.177 9.401 9.948 1.00 15.18 O ATOM 966 HA GLU A 61 32.177 13.526 9.554 1.00 0.00 H ATOM 967 HB2 GLU A 61 31.387 10.684 10.292 1.00 0.00 H ATOM 968 HB3 GLU A 61 31.968 11.244 8.706 1.00 0.00 H ATOM 969 HG2 GLU A 61 34.136 11.897 9.859 1.00 0.00 H ATOM 970 HG3 GLU A 61 33.537 11.037 11.297 1.00 0.00 H ATOM 971 H GLU A 61 31.835 12.272 12.199 1.00 0.00 H ATOM 972 N GLY A 62 29.167 12.737 10.551 1.00 9.62 N ATOM 973 CA GLY A 62 27.752 12.889 10.225 1.00 6.14 C ATOM 974 C GLY A 62 27.268 14.319 10.140 1.00 5.28 C ATOM 975 O GLY A 62 26.654 14.722 9.153 1.00 5.31 O ATOM 976 HA3 GLY A 62 27.171 12.380 10.994 1.00 0.00 H ATOM 977 HA2 GLY A 62 27.573 12.413 9.261 1.00 0.00 H ATOM 978 H GLY A 62 29.436 12.397 11.496 1.00 0.00 H ATOM 979 N VAL A 63 27.548 15.100 11.175 1.00 5.27 N ATOM 980 CA VAL A 63 27.121 16.502 11.233 1.00 5.42 C ATOM 981 C VAL A 63 27.827 17.313 10.149 1.00 5.06 C ATOM 982 O VAL A 63 27.303 18.320 9.647 1.00 4.68 O ATOM 983 CB VAL A 63 27.365 17.077 12.652 1.00 5.71 C ATOM 984 CG1 VAL A 63 26.907 18.525 12.739 1.00 6.69 C ATOM 985 CG2 VAL A 63 26.635 16.213 13.670 1.00 4.92 C ATOM 986 HA VAL A 63 26.050 16.565 11.038 1.00 0.00 H ATOM 987 HB VAL A 63 28.433 17.062 12.867 1.00 0.00 H ATOM 988 HG11 VAL A 63 27.463 19.124 12.018 1.00 0.00 H ATOM 989 HG12 VAL A 63 25.841 18.582 12.516 1.00 0.00 H ATOM 990 HG13 VAL A 63 27.090 18.903 13.745 1.00 0.00 H ATOM 991 HG21 VAL A 63 25.567 16.218 13.450 1.00 0.00 H ATOM 992 HG22 VAL A 63 27.014 15.192 13.617 1.00 0.00 H ATOM 993 HG23 VAL A 63 26.803 16.612 14.670 1.00 0.00 H ATOM 994 H VAL A 63 28.088 14.705 11.971 1.00 0.00 H ATOM 995 N ALA A 64 28.998 16.833 9.744 1.00 3.74 N ATOM 996 CA ALA A 64 29.740 17.489 8.686 1.00 4.73 C ATOM 997 C ALA A 64 28.954 17.460 7.364 1.00 5.33 C ATOM 998 O ALA A 64 29.051 18.390 6.566 1.00 5.11 O ATOM 999 CB ALA A 64 31.084 16.829 8.510 1.00 6.59 C ATOM 1000 HA ALA A 64 29.891 18.531 8.968 1.00 0.00 H ATOM 1001 HB1 ALA A 64 31.647 16.901 9.440 1.00 0.00 H ATOM 1002 HB2 ALA A 64 30.941 15.780 8.250 1.00 0.00 H ATOM 1003 HB3 ALA A 64 31.632 17.331 7.712 1.00 0.00 H ATOM 1004 H ALA A 64 29.386 15.978 10.191 1.00 0.00 H ATOM 1005 N GLN A 65 28.180 16.395 7.132 1.00 5.40 N ATOM 1006 CA GLN A 65 27.385 16.266 5.913 1.00 5.66 C ATOM 1007 C GLN A 65 26.100 17.088 5.912 1.00 6.38 C ATOM 1008 O GLN A 65 25.404 17.118 4.917 1.00 7.07 O ATOM 1009 CB GLN A 65 27.022 14.803 5.674 1.00 7.35 C ATOM 1010 CG GLN A 65 28.215 13.930 5.285 1.00 10.36 C ATOM 1011 CD GLN A 65 27.904 12.464 5.371 1.00 9.62 C ATOM 1012 OE1 GLN A 65 26.882 11.996 4.857 1.00 13.12 O ATOM 1013 NE2 GLN A 65 28.751 11.732 6.057 1.00 10.32 N ATOM 1014 HA GLN A 65 28.017 16.657 5.115 1.00 0.00 H ATOM 1015 HB2 GLN A 65 26.586 14.402 6.589 1.00 0.00 H ATOM 1016 HB3 GLN A 65 26.286 14.757 4.872 1.00 0.00 H ATOM 1017 HG2 GLN A 65 28.504 14.167 4.261 1.00 0.00 H ATOM 1018 HG3 GLN A 65 29.045 14.152 5.956 1.00 0.00 H ATOM 1019 HE22 GLN A 65 29.599 12.169 6.472 1.00 0.00 H ATOM 1020 HE21 GLN A 65 28.574 10.715 6.185 1.00 0.00 H ATOM 1021 H GLN A 65 28.143 15.635 7.841 1.00 0.00 H ATOM 1022 N MET A 66 25.800 17.776 7.012 1.00 5.49 N ATOM 1023 CA MET A 66 24.578 18.570 7.108 1.00 4.36 C ATOM 1024 C MET A 66 24.756 20.060 6.777 1.00 5.35 C ATOM 1025 O MET A 66 25.816 20.646 7.032 1.00 4.42 O ATOM 1026 CB MET A 66 23.989 18.430 8.515 1.00 5.38 C ATOM 1027 CG MET A 66 23.720 16.981 8.938 1.00 5.09 C ATOM 1028 SD MET A 66 23.035 16.821 10.633 1.00 7.41 S ATOM 1029 CE MET A 66 21.621 17.948 10.580 1.00 6.47 C ATOM 1030 HA MET A 66 23.903 18.172 6.350 1.00 0.00 H ATOM 1031 HB2 MET A 66 24.689 18.870 9.225 1.00 0.00 H ATOM 1032 HB3 MET A 66 23.047 18.977 8.548 1.00 0.00 H ATOM 1033 HG2 MET A 66 24.659 16.429 8.893 1.00 0.00 H ATOM 1034 HG3 MET A 66 23.009 16.544 8.237 1.00 0.00 H ATOM 1035 HE1 MET A 66 21.970 18.956 10.354 1.00 0.00 H ATOM 1036 HE2 MET A 66 20.926 17.621 9.807 1.00 0.00 H ATOM 1037 HE3 MET A 66 21.118 17.944 11.547 1.00 0.00 H ATOM 1038 H MET A 66 26.452 17.747 7.822 1.00 0.00 H ATOM 1039 N SER A 67 23.738 20.666 6.163 1.00 5.24 N ATOM 1040 CA SER A 67 23.790 22.101 5.888 1.00 5.30 C ATOM 1041 C SER A 67 22.872 22.791 6.896 1.00 5.28 C ATOM 1042 O SER A 67 22.014 22.150 7.517 1.00 4.95 O ATOM 1043 CB SER A 67 23.420 22.445 4.457 1.00 4.43 C ATOM 1044 OG SER A 67 22.102 22.073 4.192 1.00 5.82 O ATOM 1045 HA SER A 67 24.815 22.454 5.999 1.00 0.00 H ATOM 1046 HB2 SER A 67 24.087 21.916 3.776 1.00 0.00 H ATOM 1047 HB3 SER A 67 23.527 23.519 4.306 1.00 0.00 H ATOM 1048 HG SER A 67 22.003 21.097 4.325 1.00 0.00 H ATOM 1049 H SER A 67 22.903 20.115 5.879 1.00 0.00 H ATOM 1050 N VAL A 68 23.158 24.059 7.173 1.00 6.25 N ATOM 1051 CA VAL A 68 22.391 24.808 8.170 1.00 7.30 C ATOM 1052 C VAL A 68 20.882 24.706 7.942 1.00 8.56 C ATOM 1053 O VAL A 68 20.410 24.835 6.806 1.00 7.22 O ATOM 1054 CB VAL A 68 22.869 26.298 8.254 1.00 8.16 C ATOM 1055 CG1 VAL A 68 21.947 27.132 9.186 1.00 6.31 C ATOM 1056 CG2 VAL A 68 24.294 26.332 8.782 1.00 6.57 C ATOM 1057 HA VAL A 68 22.587 24.344 9.137 1.00 0.00 H ATOM 1058 HB VAL A 68 22.825 26.735 7.257 1.00 0.00 H ATOM 1059 HG11 VAL A 68 20.929 27.114 8.798 1.00 0.00 H ATOM 1060 HG12 VAL A 68 21.963 26.704 10.188 1.00 0.00 H ATOM 1061 HG13 VAL A 68 22.305 28.161 9.223 1.00 0.00 H ATOM 1062 HG21 VAL A 68 24.324 25.880 9.773 1.00 0.00 H ATOM 1063 HG22 VAL A 68 24.944 25.775 8.107 1.00 0.00 H ATOM 1064 HG23 VAL A 68 24.633 27.366 8.843 1.00 0.00 H ATOM 1065 H VAL A 68 23.940 24.527 6.673 1.00 0.00 H ATOM 1066 N GLY A 69 20.152 24.409 9.024 1.00 8.97 N ATOM 1067 CA GLY A 69 18.707 24.271 8.966 1.00 9.03 C ATOM 1068 C GLY A 69 18.279 22.830 8.756 1.00 9.99 C ATOM 1069 O GLY A 69 17.114 22.492 8.941 1.00 10.15 O ATOM 1070 HA3 GLY A 69 18.329 24.874 8.141 1.00 0.00 H ATOM 1071 HA2 GLY A 69 18.281 24.631 9.902 1.00 0.00 H ATOM 1072 H GLY A 69 20.635 24.273 9.935 1.00 0.00 H ATOM 1073 N GLN A 70 19.227 21.970 8.397 1.00 8.71 N ATOM 1074 CA GLN A 70 18.913 20.577 8.152 1.00 8.24 C ATOM 1075 C GLN A 70 18.621 19.818 9.438 1.00 7.79 C ATOM 1076 O GLN A 70 19.148 20.151 10.507 1.00 7.72 O ATOM 1077 CB GLN A 70 20.046 19.882 7.353 1.00 7.07 C ATOM 1078 CG GLN A 70 19.673 18.497 6.813 1.00 8.40 C ATOM 1079 CD GLN A 70 20.772 17.855 5.990 1.00 8.99 C ATOM 1080 OE1 GLN A 70 20.674 16.689 5.601 1.00 10.94 O ATOM 1081 NE2 GLN A 70 21.821 18.606 5.716 1.00 9.90 N ATOM 1082 HA GLN A 70 18.004 20.560 7.551 1.00 0.00 H ATOM 1083 HB2 GLN A 70 20.310 20.519 6.509 1.00 0.00 H ATOM 1084 HB3 GLN A 70 20.910 19.773 8.008 1.00 0.00 H ATOM 1085 HG2 GLN A 70 19.448 17.846 7.658 1.00 0.00 H ATOM 1086 HG3 GLN A 70 18.786 18.597 6.187 1.00 0.00 H ATOM 1087 HE22 GLN A 70 21.864 19.585 6.063 1.00 0.00 H ATOM 1088 HE21 GLN A 70 22.605 18.219 5.153 1.00 0.00 H ATOM 1089 H GLN A 70 20.207 22.302 8.291 1.00 0.00 H ATOM 1090 N ARG A 71 17.716 18.846 9.315 1.00 8.90 N ATOM 1091 CA ARG A 71 17.326 17.943 10.397 1.00 9.68 C ATOM 1092 C ARG A 71 17.557 16.550 9.816 1.00 9.32 C ATOM 1093 O ARG A 71 17.029 16.228 8.758 1.00 10.05 O ATOM 1094 CB ARG A 71 15.853 18.108 10.781 1.00 10.23 C ATOM 1095 CG ARG A 71 15.480 17.259 12.013 1.00 15.52 C ATOM 1096 CD ARG A 71 14.059 17.514 12.455 1.00 18.58 C ATOM 1097 NE ARG A 71 13.746 16.828 13.705 1.00 21.73 N ATOM 1098 CZ ARG A 71 13.306 17.445 14.805 1.00 25.20 C ATOM 1099 NH1 ARG A 71 13.124 18.770 14.808 1.00 25.97 N ATOM 1100 NH2 ARG A 71 13.059 16.745 15.914 1.00 26.16 N ATOM 1101 HA ARG A 71 17.895 18.139 11.306 1.00 0.00 H ATOM 1102 HB2 ARG A 71 15.663 19.158 11.005 1.00 0.00 H ATOM 1103 HB3 ARG A 71 15.233 17.800 9.939 1.00 0.00 H ATOM 1104 HG2 ARG A 71 15.589 16.204 11.762 1.00 0.00 H ATOM 1105 HG3 ARG A 71 16.155 17.508 12.832 1.00 0.00 H ATOM 1106 HD2 ARG A 71 13.380 17.161 11.679 1.00 0.00 H ATOM 1107 HD3 ARG A 71 13.921 18.586 12.597 1.00 0.00 H ATOM 1108 HE ARG A 71 13.873 15.796 13.741 1.00 0.00 H ATOM 1109 HH12 ARG A 71 12.781 19.246 15.667 1.00 0.00 H ATOM 1110 HH11 ARG A 71 13.325 19.324 13.951 1.00 0.00 H ATOM 1111 HH22 ARG A 71 12.717 17.229 16.769 1.00 0.00 H ATOM 1112 HH21 ARG A 71 13.209 15.716 15.924 1.00 0.00 H ATOM 1113 H ARG A 71 17.258 18.722 8.390 1.00 0.00 H ATOM 1114 N ALA A 72 18.346 15.734 10.507 1.00 8.20 N ATOM 1115 CA ALA A 72 18.674 14.417 10.002 1.00 7.97 C ATOM 1116 C ALA A 72 18.833 13.389 11.104 1.00 9.04 C ATOM 1117 O ALA A 72 19.046 13.731 12.268 1.00 9.13 O ATOM 1118 CB ALA A 72 19.953 14.490 9.165 1.00 6.89 C ATOM 1119 HA ALA A 72 17.838 14.091 9.383 1.00 0.00 H ATOM 1120 HB1 ALA A 72 19.799 15.171 8.328 1.00 0.00 H ATOM 1121 HB2 ALA A 72 20.772 14.854 9.786 1.00 0.00 H ATOM 1122 HB3 ALA A 72 20.196 13.497 8.787 1.00 0.00 H ATOM 1123 H ALA A 72 18.732 16.045 11.421 1.00 0.00 H ATOM 1124 N LYS A 73 18.647 12.127 10.734 1.00 7.92 N ATOM 1125 CA LYS A 73 18.803 11.017 11.660 1.00 8.58 C ATOM 1126 C LYS A 73 20.175 10.412 11.384 1.00 7.81 C ATOM 1127 O LYS A 73 20.474 10.027 10.246 1.00 8.60 O ATOM 1128 CB LYS A 73 17.753 9.938 11.404 1.00 9.48 C ATOM 1129 CG LYS A 73 18.005 8.686 12.239 1.00 12.12 C ATOM 1130 CD LYS A 73 17.281 7.441 11.722 1.00 15.78 C ATOM 1131 CE LYS A 73 15.754 7.569 11.839 1.00 18.32 C ATOM 1132 NZ LYS A 73 14.999 6.311 11.445 1.00 19.51 N ATOM 1133 HA LYS A 73 18.694 11.371 12.685 1.00 0.00 H ATOM 1134 HB2 LYS A 73 16.770 10.337 11.655 1.00 0.00 H ATOM 1135 HB3 LYS A 73 17.776 9.668 10.348 1.00 0.00 H ATOM 1136 HG2 LYS A 73 19.076 8.484 12.242 1.00 0.00 H ATOM 1137 HG3 LYS A 73 17.671 8.880 13.258 1.00 0.00 H ATOM 1138 HD2 LYS A 73 17.542 7.292 10.674 1.00 0.00 H ATOM 1139 HD3 LYS A 73 17.607 6.578 12.303 1.00 0.00 H ATOM 1140 HE2 LYS A 73 15.427 8.383 11.192 1.00 0.00 H ATOM 1141 HE3 LYS A 73 15.508 7.808 12.874 1.00 0.00 H ATOM 1142 HZ1 LYS A 73 15.214 6.075 10.455 1.00 0.00 H ATOM 1143 HZ2 LYS A 73 15.291 5.526 12.061 1.00 0.00 H ATOM 1144 HZ3 LYS A 73 13.977 6.474 11.550 1.00 0.00 H ATOM 1145 H LYS A 73 18.381 11.926 9.749 1.00 0.00 H ATOM 1146 N LEU A 74 21.017 10.377 12.414 1.00 7.06 N ATOM 1147 CA LEU A 74 22.349 9.785 12.312 1.00 5.98 C ATOM 1148 C LEU A 74 22.317 8.452 13.031 1.00 6.60 C ATOM 1149 O LEU A 74 21.962 8.392 14.211 1.00 7.60 O ATOM 1150 CB LEU A 74 23.405 10.679 12.977 1.00 6.40 C ATOM 1151 CG LEU A 74 24.048 11.821 12.180 1.00 8.95 C ATOM 1152 CD1 LEU A 74 23.005 12.670 11.496 1.00 8.75 C ATOM 1153 CD2 LEU A 74 24.936 12.665 13.101 1.00 8.85 C ATOM 1154 HA LEU A 74 22.612 9.669 11.261 1.00 0.00 H ATOM 1155 HB2 LEU A 74 22.933 11.130 13.850 1.00 0.00 H ATOM 1156 HB3 LEU A 74 24.214 10.025 13.301 1.00 0.00 H ATOM 1157 HG LEU A 74 24.671 11.388 11.397 1.00 0.00 H ATOM 1158 HD21 LEU A 74 24.330 13.083 13.904 1.00 0.00 H ATOM 1159 HD22 LEU A 74 25.719 12.036 13.525 1.00 0.00 H ATOM 1160 HD23 LEU A 74 25.388 13.473 12.527 1.00 0.00 H ATOM 1161 HD11 LEU A 74 22.427 12.051 10.810 1.00 0.00 H ATOM 1162 HD12 LEU A 74 22.341 13.101 12.245 1.00 0.00 H ATOM 1163 HD13 LEU A 74 23.496 13.469 10.941 1.00 0.00 H ATOM 1164 H LEU A 74 20.717 10.785 13.322 1.00 0.00 H ATOM 1165 N THR A 75 22.633 7.382 12.312 1.00 6.62 N ATOM 1166 CA THR A 75 22.685 6.043 12.916 1.00 7.02 C ATOM 1167 C THR A 75 24.172 5.695 12.987 1.00 7.22 C ATOM 1168 O THR A 75 24.851 5.591 11.964 1.00 5.97 O ATOM 1169 CB THR A 75 21.887 5.041 12.117 1.00 5.53 C ATOM 1170 OG1 THR A 75 20.561 5.544 12.008 1.00 9.30 O ATOM 1171 CG2 THR A 75 21.846 3.698 12.839 1.00 8.92 C ATOM 1172 HA THR A 75 22.232 6.021 13.907 1.00 0.00 H ATOM 1173 HB THR A 75 22.342 4.896 11.137 1.00 0.00 H ATOM 1174 HG1 THR A 75 20.579 6.420 11.548 1.00 0.00 H ATOM 1175 HG23 THR A 75 22.858 3.304 12.928 1.00 0.00 H ATOM 1176 HG21 THR A 75 21.419 3.834 13.833 1.00 0.00 H ATOM 1177 HG22 THR A 75 21.231 3.000 12.271 1.00 0.00 H ATOM 1178 H THR A 75 22.848 7.493 11.301 1.00 0.00 H ATOM 1179 N ILE A 76 24.661 5.556 14.213 1.00 6.68 N ATOM 1180 CA ILE A 76 26.079 5.337 14.479 1.00 7.53 C ATOM 1181 C ILE A 76 26.429 3.983 15.095 1.00 8.09 C ATOM 1182 O ILE A 76 25.940 3.653 16.164 1.00 9.14 O ATOM 1183 CB ILE A 76 26.596 6.474 15.427 1.00 5.63 C ATOM 1184 CG1 ILE A 76 26.188 7.848 14.867 1.00 5.31 C ATOM 1185 CG2 ILE A 76 28.071 6.372 15.593 1.00 4.04 C ATOM 1186 CD1 ILE A 76 26.555 9.060 15.720 1.00 4.52 C ATOM 1187 HA ILE A 76 26.567 5.350 13.504 1.00 0.00 H ATOM 1188 HB ILE A 76 26.141 6.360 16.411 1.00 0.00 H ATOM 1189 HG12 ILE A 76 26.668 7.967 13.896 1.00 0.00 H ATOM 1190 HG13 ILE A 76 25.106 7.847 14.739 1.00 0.00 H ATOM 1191 HD11 ILE A 76 26.073 8.977 16.694 1.00 0.00 H ATOM 1192 HD12 ILE A 76 27.637 9.097 15.850 1.00 0.00 H ATOM 1193 HD13 ILE A 76 26.217 9.969 15.222 1.00 0.00 H ATOM 1194 HG21 ILE A 76 28.320 5.404 16.027 1.00 0.00 H ATOM 1195 HG22 ILE A 76 28.553 6.471 14.620 1.00 0.00 H ATOM 1196 HG23 ILE A 76 28.417 7.167 16.253 1.00 0.00 H ATOM 1197 H ILE A 76 24.005 5.605 15.019 1.00 0.00 H ATOM 1198 N SER A 77 27.290 3.218 14.419 1.00 9.21 N ATOM 1199 CA SER A 77 27.723 1.900 14.904 1.00 8.36 C ATOM 1200 C SER A 77 28.598 2.120 16.123 1.00 8.20 C ATOM 1201 O SER A 77 29.213 3.175 16.255 1.00 8.13 O ATOM 1202 CB SER A 77 28.527 1.172 13.822 1.00 9.51 C ATOM 1203 OG SER A 77 29.609 1.962 13.359 1.00 10.18 O ATOM 1204 HA SER A 77 26.855 1.290 15.154 1.00 0.00 H ATOM 1205 HB2 SER A 77 27.869 0.946 12.983 1.00 0.00 H ATOM 1206 HB3 SER A 77 28.918 0.243 14.236 1.00 0.00 H ATOM 1207 HG SER A 77 30.214 2.167 14.115 1.00 0.00 H ATOM 1208 H SER A 77 27.668 3.568 13.516 1.00 0.00 H ATOM 1209 N PRO A 78 28.711 1.116 17.006 1.00 7.77 N ATOM 1210 CA PRO A 78 29.541 1.322 18.190 1.00 7.24 C ATOM 1211 C PRO A 78 30.992 1.704 17.953 1.00 7.36 C ATOM 1212 O PRO A 78 31.561 2.436 18.751 1.00 7.42 O ATOM 1213 CB PRO A 78 29.372 0.018 18.976 1.00 8.06 C ATOM 1214 CG PRO A 78 28.895 -0.964 17.987 1.00 7.69 C ATOM 1215 CD PRO A 78 28.022 -0.181 17.062 1.00 8.20 C ATOM 1216 HA PRO A 78 29.210 2.208 18.732 1.00 0.00 H ATOM 1217 HD3 PRO A 78 27.973 -0.645 16.077 1.00 0.00 H ATOM 1218 HD2 PRO A 78 27.014 -0.076 17.464 1.00 0.00 H ATOM 1219 HG3 PRO A 78 28.326 -1.755 18.475 1.00 0.00 H ATOM 1220 HG2 PRO A 78 29.733 -1.402 17.445 1.00 0.00 H ATOM 1221 HB2 PRO A 78 30.324 -0.299 19.403 1.00 0.00 H ATOM 1222 HB3 PRO A 78 28.641 0.144 19.775 1.00 0.00 H ATOM 1223 N ASP A 79 31.572 1.273 16.831 1.00 7.69 N ATOM 1224 CA ASP A 79 32.970 1.615 16.535 1.00 9.16 C ATOM 1225 C ASP A 79 33.125 3.114 16.204 1.00 9.18 C ATOM 1226 O ASP A 79 34.217 3.675 16.306 1.00 8.60 O ATOM 1227 CB ASP A 79 33.567 0.709 15.441 1.00 9.05 C ATOM 1228 CG ASP A 79 32.762 0.724 14.168 1.00 9.84 C ATOM 1229 OD1 ASP A 79 31.546 0.455 14.236 1.00 9.31 O ATOM 1230 OD2 ASP A 79 33.353 1.003 13.098 1.00 12.08 O ATOM 1231 HA ASP A 79 33.549 1.427 17.439 1.00 0.00 H ATOM 1232 HB2 ASP A 79 34.578 1.051 15.218 1.00 0.00 H ATOM 1233 HB3 ASP A 79 33.605 -0.313 15.817 1.00 0.00 H ATOM 1234 H ASP A 79 31.030 0.691 16.161 1.00 0.00 H ATOM 1235 N TYR A 80 32.008 3.761 15.871 1.00 9.09 N ATOM 1236 CA TYR A 80 31.989 5.187 15.592 1.00 9.86 C ATOM 1237 C TYR A 80 31.414 5.969 16.778 1.00 9.24 C ATOM 1238 O TYR A 80 31.179 7.168 16.675 1.00 9.81 O ATOM 1239 CB TYR A 80 31.183 5.491 14.316 1.00 10.74 C ATOM 1240 CG TYR A 80 32.007 5.396 13.069 1.00 11.72 C ATOM 1241 CD1 TYR A 80 32.756 4.262 12.813 1.00 13.64 C ATOM 1242 CD2 TYR A 80 32.038 6.429 12.142 1.00 12.45 C ATOM 1243 CE1 TYR A 80 33.523 4.139 11.659 1.00 13.12 C ATOM 1244 CE2 TYR A 80 32.800 6.325 10.978 1.00 12.44 C ATOM 1245 CZ TYR A 80 33.541 5.165 10.742 1.00 14.43 C ATOM 1246 OH TYR A 80 34.286 4.989 9.582 1.00 13.55 O ATOM 1247 HA TYR A 80 33.019 5.505 15.433 1.00 0.00 H ATOM 1248 HB3 TYR A 80 30.781 6.501 14.391 1.00 0.00 H ATOM 1249 HB2 TYR A 80 30.361 4.778 14.245 1.00 0.00 H ATOM 1250 HD2 TYR A 80 31.459 7.334 12.326 1.00 0.00 H ATOM 1251 HE2 TYR A 80 32.817 7.143 10.258 1.00 0.00 H ATOM 1252 HE1 TYR A 80 34.106 3.235 11.482 1.00 0.00 H ATOM 1253 HD1 TYR A 80 32.745 3.444 13.533 1.00 0.00 H ATOM 1254 HH TYR A 80 34.733 4.106 9.609 1.00 0.00 H ATOM 1255 H TYR A 80 31.118 3.226 15.809 1.00 0.00 H ATOM 1256 N ALA A 81 31.213 5.289 17.907 1.00 8.61 N ATOM 1257 CA ALA A 81 30.670 5.923 19.104 1.00 8.17 C ATOM 1258 C ALA A 81 31.486 5.562 20.348 1.00 9.14 C ATOM 1259 O ALA A 81 32.643 6.009 20.487 1.00 8.35 O ATOM 1260 CB ALA A 81 29.170 5.563 19.299 1.00 8.07 C ATOM 1261 HA ALA A 81 30.741 7.002 18.963 1.00 0.00 H ATOM 1262 HB1 ALA A 81 28.600 5.905 18.435 1.00 0.00 H ATOM 1263 HB2 ALA A 81 29.067 4.483 19.400 1.00 0.00 H ATOM 1264 HB3 ALA A 81 28.795 6.050 20.199 1.00 0.00 H ATOM 1265 H ALA A 81 31.450 4.277 17.935 1.00 0.00 H ATOM 1266 N TYR A 82 30.925 4.701 21.206 1.00 8.23 N ATOM 1267 CA TYR A 82 31.577 4.320 22.471 1.00 8.56 C ATOM 1268 C TYR A 82 32.187 2.914 22.624 1.00 7.49 C ATOM 1269 O TYR A 82 32.620 2.536 23.708 1.00 5.89 O ATOM 1270 CB TYR A 82 30.626 4.631 23.630 1.00 8.37 C ATOM 1271 CG TYR A 82 30.292 6.102 23.702 1.00 9.00 C ATOM 1272 CD1 TYR A 82 31.144 6.996 24.368 1.00 8.96 C ATOM 1273 CD2 TYR A 82 29.157 6.612 23.065 1.00 7.00 C ATOM 1274 CE1 TYR A 82 30.873 8.349 24.402 1.00 9.27 C ATOM 1275 CE2 TYR A 82 28.874 7.978 23.078 1.00 6.61 C ATOM 1276 CZ TYR A 82 29.730 8.841 23.758 1.00 9.27 C ATOM 1277 OH TYR A 82 29.422 10.175 23.862 1.00 10.11 O ATOM 1278 HA TYR A 82 32.480 4.930 22.474 1.00 0.00 H ATOM 1279 HB3 TYR A 82 31.098 4.330 24.565 1.00 0.00 H ATOM 1280 HB2 TYR A 82 29.704 4.066 23.492 1.00 0.00 H ATOM 1281 HD2 TYR A 82 28.481 5.930 22.549 1.00 0.00 H ATOM 1282 HE2 TYR A 82 27.995 8.365 22.563 1.00 0.00 H ATOM 1283 HE1 TYR A 82 31.544 9.030 24.926 1.00 0.00 H ATOM 1284 HD1 TYR A 82 32.035 6.616 24.867 1.00 0.00 H ATOM 1285 HH TYR A 82 28.557 10.277 24.332 1.00 0.00 H ATOM 1286 H TYR A 82 30.000 4.288 20.972 1.00 0.00 H ATOM 1287 N GLY A 83 32.188 2.155 21.534 1.00 7.68 N ATOM 1288 CA GLY A 83 32.771 0.821 21.511 1.00 9.08 C ATOM 1289 C GLY A 83 32.261 -0.157 22.547 1.00 8.57 C ATOM 1290 O GLY A 83 31.118 -0.059 22.993 1.00 9.50 O ATOM 1291 HA3 GLY A 83 33.846 0.927 21.656 1.00 0.00 H ATOM 1292 HA2 GLY A 83 32.579 0.392 20.528 1.00 0.00 H ATOM 1293 H GLY A 83 31.756 2.528 20.664 1.00 0.00 H ATOM 1294 N ALA A 84 33.121 -1.098 22.933 1.00 7.90 N ATOM 1295 CA ALA A 84 32.763 -2.092 23.930 1.00 6.83 C ATOM 1296 C ALA A 84 32.488 -1.446 25.280 1.00 6.44 C ATOM 1297 O ALA A 84 31.622 -1.895 26.021 1.00 8.14 O ATOM 1298 CB ALA A 84 33.879 -3.151 24.076 1.00 4.46 C ATOM 1299 HA ALA A 84 31.851 -2.582 23.588 1.00 0.00 H ATOM 1300 HB1 ALA A 84 34.031 -3.651 23.120 1.00 0.00 H ATOM 1301 HB2 ALA A 84 34.804 -2.662 24.383 1.00 0.00 H ATOM 1302 HB3 ALA A 84 33.587 -3.884 24.828 1.00 0.00 H ATOM 1303 H ALA A 84 34.071 -1.122 22.511 1.00 0.00 H ATOM 1304 N THR A 85 33.258 -0.411 25.598 1.00 6.76 N ATOM 1305 CA THR A 85 33.140 0.295 26.876 1.00 6.03 C ATOM 1306 C THR A 85 31.794 0.966 27.112 1.00 5.43 C ATOM 1307 O THR A 85 31.237 0.844 28.196 1.00 4.68 O ATOM 1308 CB THR A 85 34.252 1.397 27.019 1.00 6.78 C ATOM 1309 OG1 THR A 85 35.544 0.787 26.950 1.00 8.28 O ATOM 1310 CG2 THR A 85 34.130 2.145 28.335 1.00 6.97 C ATOM 1311 HA THR A 85 33.255 -0.491 27.622 1.00 0.00 H ATOM 1312 HB THR A 85 34.122 2.109 26.204 1.00 0.00 H ATOM 1313 HG1 THR A 85 35.636 0.129 27.684 1.00 0.00 H ATOM 1314 HG23 THR A 85 33.148 2.613 28.396 1.00 0.00 H ATOM 1315 HG21 THR A 85 34.252 1.445 29.162 1.00 0.00 H ATOM 1316 HG22 THR A 85 34.903 2.912 28.389 1.00 0.00 H ATOM 1317 H THR A 85 33.972 -0.090 24.913 1.00 0.00 H ATOM 1318 N GLY A 86 31.262 1.620 26.080 1.00 4.24 N ATOM 1319 CA GLY A 86 30.049 2.375 26.256 1.00 4.71 C ATOM 1320 C GLY A 86 30.470 3.540 27.156 1.00 6.15 C ATOM 1321 O GLY A 86 31.649 3.973 27.168 1.00 5.58 O ATOM 1322 HA3 GLY A 86 29.281 1.770 26.738 1.00 0.00 H ATOM 1323 HA2 GLY A 86 29.676 2.739 25.299 1.00 0.00 H ATOM 1324 H GLY A 86 31.723 1.585 25.148 1.00 0.00 H ATOM 1325 N HIS A 87 29.503 4.115 27.857 1.00 5.38 N ATOM 1326 CA HIS A 87 29.799 5.175 28.795 1.00 6.24 C ATOM 1327 C HIS A 87 28.871 4.873 29.952 1.00 6.06 C ATOM 1328 O HIS A 87 27.749 5.379 30.011 1.00 6.43 O ATOM 1329 CB HIS A 87 29.544 6.582 28.243 1.00 5.18 C ATOM 1330 CG HIS A 87 30.150 7.652 29.099 1.00 5.65 C ATOM 1331 ND1 HIS A 87 31.477 8.008 29.016 1.00 6.29 N ATOM 1332 CD2 HIS A 87 29.628 8.392 30.103 1.00 5.94 C ATOM 1333 CE1 HIS A 87 31.750 8.917 29.932 1.00 6.90 C ATOM 1334 NE2 HIS A 87 30.644 9.167 30.606 1.00 7.65 N ATOM 1335 HA HIS A 87 30.857 5.191 29.058 1.00 0.00 H ATOM 1336 HB2 HIS A 87 29.973 6.649 27.243 1.00 0.00 H ATOM 1337 HB3 HIS A 87 28.468 6.746 28.187 1.00 0.00 H ATOM 1338 HD2 HIS A 87 28.594 8.376 30.448 1.00 0.00 H ATOM 1339 HE1 HIS A 87 32.721 9.381 30.102 1.00 0.00 H ATOM 1340 H HIS A 87 28.520 3.800 27.731 1.00 0.00 H ATOM 1341 N PRO A 88 29.346 4.033 30.889 1.00 6.27 N ATOM 1342 CA PRO A 88 28.575 3.627 32.058 1.00 6.98 C ATOM 1343 C PRO A 88 27.845 4.782 32.692 1.00 6.97 C ATOM 1344 O PRO A 88 28.433 5.782 33.101 1.00 6.46 O ATOM 1345 CB PRO A 88 29.628 3.001 32.952 1.00 6.53 C ATOM 1346 CG PRO A 88 30.594 2.393 31.935 1.00 6.20 C ATOM 1347 CD PRO A 88 30.728 3.532 30.974 1.00 6.73 C ATOM 1348 HA PRO A 88 27.766 2.934 31.829 1.00 0.00 H ATOM 1349 HD3 PRO A 88 31.403 4.297 31.359 1.00 0.00 H ATOM 1350 HD2 PRO A 88 31.085 3.190 30.003 1.00 0.00 H ATOM 1351 HG3 PRO A 88 30.172 1.509 31.456 1.00 0.00 H ATOM 1352 HG2 PRO A 88 31.550 2.136 32.391 1.00 0.00 H ATOM 1353 HB2 PRO A 88 30.123 3.753 33.567 1.00 0.00 H ATOM 1354 HB3 PRO A 88 29.196 2.234 33.595 1.00 0.00 H ATOM 1355 N GLY A 89 26.522 4.636 32.695 1.00 8.92 N ATOM 1356 CA GLY A 89 25.644 5.650 33.237 1.00 8.73 C ATOM 1357 C GLY A 89 24.735 6.255 32.175 1.00 9.73 C ATOM 1358 O GLY A 89 23.636 6.744 32.489 1.00 10.45 O ATOM 1359 HA3 GLY A 89 26.251 6.444 33.673 1.00 0.00 H ATOM 1360 HA2 GLY A 89 25.025 5.200 34.013 1.00 0.00 H ATOM 1361 H GLY A 89 26.108 3.769 32.297 1.00 0.00 H ATOM 1362 N ILE A 90 25.167 6.211 30.919 1.00 9.48 N ATOM 1363 CA ILE A 90 24.361 6.775 29.847 1.00 9.24 C ATOM 1364 C ILE A 90 24.282 5.880 28.612 1.00 8.76 C ATOM 1365 O ILE A 90 23.209 5.685 28.051 1.00 9.01 O ATOM 1366 CB ILE A 90 24.808 8.244 29.494 1.00 10.97 C ATOM 1367 CG1 ILE A 90 24.003 8.786 28.307 1.00 14.31 C ATOM 1368 CG2 ILE A 90 26.271 8.305 29.157 1.00 12.66 C ATOM 1369 CD1 ILE A 90 24.298 10.237 27.958 1.00 16.86 C ATOM 1370 HA ILE A 90 23.342 6.829 30.231 1.00 0.00 H ATOM 1371 HB ILE A 90 24.620 8.857 30.376 1.00 0.00 H ATOM 1372 HG12 ILE A 90 24.227 8.173 27.434 1.00 0.00 H ATOM 1373 HG13 ILE A 90 22.943 8.701 28.546 1.00 0.00 H ATOM 1374 HD11 ILE A 90 24.067 10.870 28.815 1.00 0.00 H ATOM 1375 HD12 ILE A 90 25.352 10.341 27.702 1.00 0.00 H ATOM 1376 HD13 ILE A 90 23.685 10.537 27.108 1.00 0.00 H ATOM 1377 HG21 ILE A 90 26.854 7.961 30.011 1.00 0.00 H ATOM 1378 HG22 ILE A 90 26.472 7.665 28.297 1.00 0.00 H ATOM 1379 HG23 ILE A 90 26.545 9.333 28.919 1.00 0.00 H ATOM 1380 H ILE A 90 26.084 5.772 30.702 1.00 0.00 H ATOM 1381 N ILE A 91 25.396 5.267 28.247 1.00 8.13 N ATOM 1382 CA ILE A 91 25.444 4.423 27.060 1.00 7.71 C ATOM 1383 C ILE A 91 26.033 3.062 27.394 1.00 6.58 C ATOM 1384 O ILE A 91 27.134 2.961 27.967 1.00 6.18 O ATOM 1385 CB ILE A 91 26.243 5.122 25.896 1.00 8.69 C ATOM 1386 CG1 ILE A 91 25.450 6.368 25.438 1.00 9.56 C ATOM 1387 CG2 ILE A 91 26.484 4.128 24.713 1.00 5.25 C ATOM 1388 CD1 ILE A 91 26.260 7.441 24.835 1.00 12.58 C ATOM 1389 HA ILE A 91 24.423 4.272 26.710 1.00 0.00 H ATOM 1390 HB ILE A 91 27.225 5.432 26.252 1.00 0.00 H ATOM 1391 HG12 ILE A 91 24.713 6.047 24.702 1.00 0.00 H ATOM 1392 HG13 ILE A 91 24.937 6.780 26.307 1.00 0.00 H ATOM 1393 HD11 ILE A 91 26.996 7.790 25.560 1.00 0.00 H ATOM 1394 HD12 ILE A 91 26.771 7.056 23.953 1.00 0.00 H ATOM 1395 HD13 ILE A 91 25.610 8.268 24.548 1.00 0.00 H ATOM 1396 HG21 ILE A 91 27.058 3.273 25.070 1.00 0.00 H ATOM 1397 HG22 ILE A 91 25.524 3.787 24.326 1.00 0.00 H ATOM 1398 HG23 ILE A 91 27.037 4.634 23.922 1.00 0.00 H ATOM 1399 H ILE A 91 26.256 5.390 28.819 1.00 0.00 H ATOM 1400 N PRO A 92 25.282 1.990 27.067 1.00 6.45 N ATOM 1401 CA PRO A 92 25.740 0.621 27.339 1.00 6.29 C ATOM 1402 C PRO A 92 26.808 0.116 26.357 1.00 6.53 C ATOM 1403 O PRO A 92 27.105 0.765 25.339 1.00 7.01 O ATOM 1404 CB PRO A 92 24.447 -0.197 27.211 1.00 6.37 C ATOM 1405 CG PRO A 92 23.739 0.495 26.082 1.00 8.00 C ATOM 1406 CD PRO A 92 23.943 1.985 26.446 1.00 5.50 C ATOM 1407 HA PRO A 92 26.230 0.546 28.310 1.00 0.00 H ATOM 1408 HD3 PRO A 92 23.920 2.614 25.556 1.00 0.00 H ATOM 1409 HD2 PRO A 92 23.183 2.325 27.149 1.00 0.00 H ATOM 1410 HG3 PRO A 92 22.681 0.234 26.057 1.00 0.00 H ATOM 1411 HG2 PRO A 92 24.194 0.255 25.121 1.00 0.00 H ATOM 1412 HB2 PRO A 92 24.661 -1.237 26.965 1.00 0.00 H ATOM 1413 HB3 PRO A 92 23.861 -0.155 28.129 1.00 0.00 H ATOM 1414 N PRO A 93 27.438 -1.025 26.680 1.00 6.01 N ATOM 1415 CA PRO A 93 28.463 -1.626 25.824 1.00 5.91 C ATOM 1416 C PRO A 93 27.908 -1.948 24.428 1.00 5.97 C ATOM 1417 O PRO A 93 26.729 -2.278 24.273 1.00 6.52 O ATOM 1418 CB PRO A 93 28.793 -2.931 26.561 1.00 6.80 C ATOM 1419 CG PRO A 93 28.608 -2.582 27.981 1.00 6.21 C ATOM 1420 CD PRO A 93 27.332 -1.751 27.961 1.00 7.51 C ATOM 1421 HA PRO A 93 29.318 -0.969 25.666 1.00 0.00 H ATOM 1422 HD3 PRO A 93 26.447 -2.388 27.980 1.00 0.00 H ATOM 1423 HD2 PRO A 93 27.299 -1.060 28.803 1.00 0.00 H ATOM 1424 HG3 PRO A 93 29.450 -2.000 28.356 1.00 0.00 H ATOM 1425 HG2 PRO A 93 28.485 -3.476 28.593 1.00 0.00 H ATOM 1426 HB2 PRO A 93 28.113 -3.729 26.264 1.00 0.00 H ATOM 1427 HB3 PRO A 93 29.820 -3.240 26.366 1.00 0.00 H ATOM 1428 N HIS A 94 28.766 -1.828 23.418 1.00 6.52 N ATOM 1429 CA HIS A 94 28.449 -2.149 22.020 1.00 7.29 C ATOM 1430 C HIS A 94 27.165 -1.526 21.478 1.00 7.08 C ATOM 1431 O HIS A 94 26.447 -2.157 20.693 1.00 6.49 O ATOM 1432 CB HIS A 94 28.359 -3.679 21.860 1.00 8.11 C ATOM 1433 CG HIS A 94 29.467 -4.429 22.537 1.00 7.11 C ATOM 1434 ND1 HIS A 94 30.707 -4.593 21.965 1.00 7.80 N ATOM 1435 CD2 HIS A 94 29.526 -5.034 23.748 1.00 7.27 C ATOM 1436 CE1 HIS A 94 31.485 -5.263 22.798 1.00 8.34 C ATOM 1437 NE2 HIS A 94 30.794 -5.538 23.889 1.00 8.21 N ATOM 1438 HA HIS A 94 29.260 -1.715 21.435 1.00 0.00 H ATOM 1439 HB2 HIS A 94 27.411 -4.013 22.282 1.00 0.00 H ATOM 1440 HB3 HIS A 94 28.385 -3.915 20.796 1.00 0.00 H ATOM 1441 HD2 HIS A 94 28.717 -5.107 24.475 1.00 0.00 H ATOM 1442 HE1 HIS A 94 32.523 -5.542 22.615 1.00 0.00 H ATOM 1443 H HIS A 94 29.724 -1.484 23.632 1.00 0.00 H ATOM 1444 N ALA A 95 26.886 -0.286 21.867 1.00 7.59 N ATOM 1445 CA ALA A 95 25.651 0.356 21.443 1.00 6.74 C ATOM 1446 C ALA A 95 25.651 1.099 20.113 1.00 7.16 C ATOM 1447 O ALA A 95 26.553 1.906 19.823 1.00 5.60 O ATOM 1448 CB ALA A 95 25.131 1.284 22.542 1.00 6.92 C ATOM 1449 HA ALA A 95 24.990 -0.492 21.265 1.00 0.00 H ATOM 1450 HB1 ALA A 95 24.940 0.704 23.445 1.00 0.00 H ATOM 1451 HB2 ALA A 95 25.877 2.050 22.752 1.00 0.00 H ATOM 1452 HB3 ALA A 95 24.207 1.757 22.210 1.00 0.00 H ATOM 1453 H ALA A 95 27.553 0.228 22.477 1.00 0.00 H ATOM 1454 N THR A 96 24.654 0.769 19.292 1.00 6.75 N ATOM 1455 CA THR A 96 24.436 1.469 18.048 1.00 6.63 C ATOM 1456 C THR A 96 23.534 2.651 18.472 1.00 5.82 C ATOM 1457 O THR A 96 22.496 2.453 19.110 1.00 6.27 O ATOM 1458 CB THR A 96 23.758 0.573 17.039 1.00 7.97 C ATOM 1459 OG1 THR A 96 24.753 -0.284 16.466 1.00 9.25 O ATOM 1460 CG2 THR A 96 23.044 1.409 15.948 1.00 9.05 C ATOM 1461 HA THR A 96 25.355 1.796 17.561 1.00 0.00 H ATOM 1462 HB THR A 96 22.992 -0.028 17.529 1.00 0.00 H ATOM 1463 HG1 THR A 96 24.329 -0.881 15.800 1.00 0.00 H ATOM 1464 HG23 THR A 96 22.295 2.049 16.415 1.00 0.00 H ATOM 1465 HG21 THR A 96 23.777 2.025 15.427 1.00 0.00 H ATOM 1466 HG22 THR A 96 22.560 0.739 15.238 1.00 0.00 H ATOM 1467 H THR A 96 24.018 -0.011 19.554 1.00 0.00 H ATOM 1468 N LEU A 97 23.962 3.871 18.165 1.00 4.80 N ATOM 1469 CA LEU A 97 23.220 5.068 18.555 1.00 5.35 C ATOM 1470 C LEU A 97 22.493 5.741 17.425 1.00 5.54 C ATOM 1471 O LEU A 97 22.973 5.781 16.305 1.00 5.56 O ATOM 1472 CB LEU A 97 24.149 6.096 19.188 1.00 5.05 C ATOM 1473 CG LEU A 97 25.104 5.598 20.281 1.00 4.95 C ATOM 1474 CD1 LEU A 97 25.870 6.787 20.855 1.00 4.77 C ATOM 1475 CD2 LEU A 97 24.335 4.862 21.371 1.00 2.61 C ATOM 1476 HA LEU A 97 22.474 4.711 19.265 1.00 0.00 H ATOM 1477 HB2 LEU A 97 24.757 6.524 18.391 1.00 0.00 H ATOM 1478 HB3 LEU A 97 23.526 6.876 19.627 1.00 0.00 H ATOM 1479 HG LEU A 97 25.815 4.893 19.850 1.00 0.00 H ATOM 1480 HD21 LEU A 97 23.606 5.538 21.819 1.00 0.00 H ATOM 1481 HD22 LEU A 97 23.819 4.006 20.935 1.00 0.00 H ATOM 1482 HD23 LEU A 97 25.031 4.518 22.136 1.00 0.00 H ATOM 1483 HD11 LEU A 97 26.440 7.268 20.060 1.00 0.00 H ATOM 1484 HD12 LEU A 97 25.165 7.501 21.281 1.00 0.00 H ATOM 1485 HD13 LEU A 97 26.550 6.438 21.632 1.00 0.00 H ATOM 1486 H LEU A 97 24.849 3.977 17.633 1.00 0.00 H ATOM 1487 N VAL A 98 21.321 6.276 17.739 1.00 7.14 N ATOM 1488 CA VAL A 98 20.523 6.987 16.749 1.00 7.53 C ATOM 1489 C VAL A 98 20.304 8.390 17.279 1.00 7.40 C ATOM 1490 O VAL A 98 19.764 8.557 18.364 1.00 8.58 O ATOM 1491 CB VAL A 98 19.140 6.314 16.489 1.00 7.33 C ATOM 1492 CG1 VAL A 98 18.417 7.079 15.386 1.00 8.99 C ATOM 1493 CG2 VAL A 98 19.322 4.856 16.065 1.00 6.52 C ATOM 1494 HA VAL A 98 21.056 6.980 15.798 1.00 0.00 H ATOM 1495 HB VAL A 98 18.554 6.336 17.408 1.00 0.00 H ATOM 1496 HG11 VAL A 98 18.271 8.113 15.698 1.00 0.00 H ATOM 1497 HG12 VAL A 98 19.016 7.054 14.476 1.00 0.00 H ATOM 1498 HG13 VAL A 98 17.449 6.615 15.198 1.00 0.00 H ATOM 1499 HG21 VAL A 98 19.912 4.816 15.150 1.00 0.00 H ATOM 1500 HG22 VAL A 98 19.838 4.311 16.855 1.00 0.00 H ATOM 1501 HG23 VAL A 98 18.345 4.406 15.889 1.00 0.00 H ATOM 1502 H VAL A 98 20.964 6.186 18.712 1.00 0.00 H ATOM 1503 N PHE A 99 20.817 9.387 16.564 1.00 7.07 N ATOM 1504 CA PHE A 99 20.633 10.792 16.962 1.00 7.25 C ATOM 1505 C PHE A 99 19.758 11.553 15.971 1.00 6.72 C ATOM 1506 O PHE A 99 19.995 11.517 14.763 1.00 7.03 O ATOM 1507 CB PHE A 99 21.964 11.546 17.026 1.00 5.40 C ATOM 1508 CG PHE A 99 22.846 11.150 18.159 1.00 5.91 C ATOM 1509 CD1 PHE A 99 23.724 10.080 18.032 1.00 6.50 C ATOM 1510 CD2 PHE A 99 22.871 11.903 19.328 1.00 5.44 C ATOM 1511 CE1 PHE A 99 24.619 9.778 19.056 1.00 5.65 C ATOM 1512 CE2 PHE A 99 23.760 11.600 20.343 1.00 6.70 C ATOM 1513 CZ PHE A 99 24.643 10.528 20.199 1.00 4.96 C ATOM 1514 HA PHE A 99 20.162 10.751 17.944 1.00 0.00 H ATOM 1515 HB2 PHE A 99 22.503 11.365 16.096 1.00 0.00 H ATOM 1516 HB3 PHE A 99 21.748 12.610 17.118 1.00 0.00 H ATOM 1517 HD2 PHE A 99 22.183 12.740 19.445 1.00 0.00 H ATOM 1518 HE2 PHE A 99 23.771 12.197 21.255 1.00 0.00 H ATOM 1519 HZ PHE A 99 25.349 10.290 20.995 1.00 0.00 H ATOM 1520 HE1 PHE A 99 25.305 8.938 18.945 1.00 0.00 H ATOM 1521 HD1 PHE A 99 23.712 9.474 17.126 1.00 0.00 H ATOM 1522 H PHE A 99 21.360 9.169 15.704 1.00 0.00 H ATOM 1523 N ASP A 100 18.726 12.211 16.485 1.00 6.39 N ATOM 1524 CA ASP A 100 17.877 13.071 15.666 1.00 7.06 C ATOM 1525 C ASP A 100 18.585 14.417 15.896 1.00 6.12 C ATOM 1526 O ASP A 100 18.558 14.950 16.995 1.00 7.24 O ATOM 1527 CB ASP A 100 16.449 13.102 16.234 1.00 8.10 C ATOM 1528 CG ASP A 100 15.511 13.991 15.441 1.00 9.94 C ATOM 1529 OD1 ASP A 100 15.952 14.922 14.752 1.00 11.29 O ATOM 1530 OD2 ASP A 100 14.288 13.773 15.532 1.00 13.06 O ATOM 1531 HA ASP A 100 17.768 12.775 14.623 1.00 0.00 H ATOM 1532 HB2 ASP A 100 16.052 12.087 16.229 1.00 0.00 H ATOM 1533 HB3 ASP A 100 16.491 13.470 17.259 1.00 0.00 H ATOM 1534 H ASP A 100 18.517 12.111 17.499 1.00 0.00 H ATOM 1535 N VAL A 101 19.212 14.953 14.859 1.00 6.38 N ATOM 1536 CA VAL A 101 19.984 16.187 14.966 1.00 5.58 C ATOM 1537 C VAL A 101 19.458 17.306 14.088 1.00 5.89 C ATOM 1538 O VAL A 101 19.066 17.059 12.957 1.00 5.51 O ATOM 1539 CB VAL A 101 21.467 15.921 14.525 1.00 5.37 C ATOM 1540 CG1 VAL A 101 22.322 17.200 14.598 1.00 5.59 C ATOM 1541 CG2 VAL A 101 22.063 14.828 15.376 1.00 4.98 C ATOM 1542 HA VAL A 101 19.907 16.496 16.008 1.00 0.00 H ATOM 1543 HB VAL A 101 21.460 15.600 13.483 1.00 0.00 H ATOM 1544 HG11 VAL A 101 21.898 17.957 13.938 1.00 0.00 H ATOM 1545 HG12 VAL A 101 22.330 17.572 15.622 1.00 0.00 H ATOM 1546 HG13 VAL A 101 23.341 16.973 14.285 1.00 0.00 H ATOM 1547 HG21 VAL A 101 22.046 15.134 16.422 1.00 0.00 H ATOM 1548 HG22 VAL A 101 21.480 13.915 15.253 1.00 0.00 H ATOM 1549 HG23 VAL A 101 23.092 14.648 15.065 1.00 0.00 H ATOM 1550 H VAL A 101 19.152 14.477 13.936 1.00 0.00 H ATOM 1551 N GLU A 102 19.474 18.534 14.613 1.00 6.07 N ATOM 1552 CA GLU A 102 19.066 19.696 13.826 1.00 6.02 C ATOM 1553 C GLU A 102 20.175 20.722 13.914 1.00 6.48 C ATOM 1554 O GLU A 102 20.573 21.121 15.019 1.00 5.09 O ATOM 1555 CB GLU A 102 17.769 20.311 14.313 1.00 7.78 C ATOM 1556 CG GLU A 102 17.303 21.407 13.384 1.00 10.26 C ATOM 1557 CD GLU A 102 16.157 22.191 13.936 1.00 13.74 C ATOM 1558 OE1 GLU A 102 15.618 21.803 15.003 1.00 15.27 O ATOM 1559 OE2 GLU A 102 15.796 23.203 13.296 1.00 12.88 O ATOM 1560 HA GLU A 102 18.891 19.373 12.800 1.00 0.00 H ATOM 1561 HB2 GLU A 102 17.004 19.536 14.362 1.00 0.00 H ATOM 1562 HB3 GLU A 102 17.925 20.729 15.307 1.00 0.00 H ATOM 1563 HG2 GLU A 102 18.135 22.087 13.204 1.00 0.00 H ATOM 1564 HG3 GLU A 102 16.994 20.956 12.441 1.00 0.00 H ATOM 1565 H GLU A 102 19.782 18.665 15.598 1.00 0.00 H ATOM 1566 N LEU A 103 20.727 21.063 12.740 1.00 6.96 N ATOM 1567 CA LEU A 103 21.811 22.029 12.604 1.00 7.41 C ATOM 1568 C LEU A 103 21.194 23.425 12.542 1.00 7.92 C ATOM 1569 O LEU A 103 20.671 23.857 11.514 1.00 7.14 O ATOM 1570 CB LEU A 103 22.654 21.728 11.359 1.00 6.93 C ATOM 1571 CG LEU A 103 23.911 22.598 11.219 1.00 6.84 C ATOM 1572 CD1 LEU A 103 24.698 22.677 12.536 1.00 7.41 C ATOM 1573 CD2 LEU A 103 24.758 22.051 10.097 1.00 5.95 C ATOM 1574 HA LEU A 103 22.484 21.967 13.459 1.00 0.00 H ATOM 1575 HB2 LEU A 103 22.965 20.684 11.401 1.00 0.00 H ATOM 1576 HB3 LEU A 103 22.031 21.885 10.479 1.00 0.00 H ATOM 1577 HG LEU A 103 23.614 23.619 10.981 1.00 0.00 H ATOM 1578 HD21 LEU A 103 25.042 21.024 10.326 1.00 0.00 H ATOM 1579 HD22 LEU A 103 24.187 22.073 9.169 1.00 0.00 H ATOM 1580 HD23 LEU A 103 25.654 22.662 9.989 1.00 0.00 H ATOM 1581 HD11 LEU A 103 24.065 23.110 13.311 1.00 0.00 H ATOM 1582 HD12 LEU A 103 25.006 21.675 12.835 1.00 0.00 H ATOM 1583 HD13 LEU A 103 25.580 23.302 12.394 1.00 0.00 H ATOM 1584 H LEU A 103 20.361 20.613 11.877 1.00 0.00 H ATOM 1585 N LEU A 104 21.240 24.099 13.683 1.00 9.38 N ATOM 1586 CA LEU A 104 20.635 25.420 13.842 1.00 10.97 C ATOM 1587 C LEU A 104 21.384 26.565 13.172 1.00 11.54 C ATOM 1588 O LEU A 104 20.793 27.350 12.438 1.00 10.91 O ATOM 1589 CB LEU A 104 20.441 25.749 15.346 1.00 9.17 C ATOM 1590 CG LEU A 104 19.805 24.699 16.259 1.00 10.11 C ATOM 1591 CD1 LEU A 104 19.819 25.137 17.731 1.00 10.56 C ATOM 1592 CD2 LEU A 104 18.396 24.409 15.792 1.00 11.63 C ATOM 1593 HA LEU A 104 19.678 25.347 13.326 1.00 0.00 H ATOM 1594 HB2 LEU A 104 21.427 25.973 15.754 1.00 0.00 H ATOM 1595 HB3 LEU A 104 19.816 26.640 15.400 1.00 0.00 H ATOM 1596 HG LEU A 104 20.398 23.787 16.197 1.00 0.00 H ATOM 1597 HD21 LEU A 104 17.807 25.326 15.827 1.00 0.00 H ATOM 1598 HD22 LEU A 104 18.424 24.032 14.770 1.00 0.00 H ATOM 1599 HD23 LEU A 104 17.945 23.661 16.444 1.00 0.00 H ATOM 1600 HD11 LEU A 104 20.849 25.292 18.053 1.00 0.00 H ATOM 1601 HD12 LEU A 104 19.260 26.067 17.837 1.00 0.00 H ATOM 1602 HD13 LEU A 104 19.358 24.362 18.344 1.00 0.00 H ATOM 1603 H LEU A 104 21.726 23.671 14.497 1.00 0.00 H ATOM 1604 N LYS A 105 22.679 26.655 13.442 1.00 11.57 N ATOM 1605 CA LYS A 105 23.474 27.743 12.921 1.00 12.88 C ATOM 1606 C LYS A 105 24.926 27.424 13.144 1.00 12.77 C ATOM 1607 O LYS A 105 25.268 26.427 13.804 1.00 11.09 O ATOM 1608 CB LYS A 105 23.134 29.047 13.680 1.00 14.10 C ATOM 1609 CG LYS A 105 23.426 28.971 15.187 1.00 15.86 C ATOM 1610 CD LYS A 105 22.663 29.979 16.036 1.00 17.72 C ATOM 1611 CE LYS A 105 23.227 31.374 15.909 1.00 20.96 C ATOM 1612 NZ LYS A 105 22.733 32.256 17.017 1.00 22.63 N ATOM 1613 HA LYS A 105 23.266 27.873 11.859 1.00 0.00 H ATOM 1614 HB2 LYS A 105 23.724 29.859 13.254 1.00 0.00 H ATOM 1615 HB3 LYS A 105 22.074 29.260 13.544 1.00 0.00 H ATOM 1616 HG2 LYS A 105 23.167 27.970 15.533 1.00 0.00 H ATOM 1617 HG3 LYS A 105 24.492 29.140 15.335 1.00 0.00 H ATOM 1618 HD2 LYS A 105 21.621 29.991 15.716 1.00 0.00 H ATOM 1619 HD3 LYS A 105 22.718 29.672 17.080 1.00 0.00 H ATOM 1620 HE2 LYS A 105 22.920 31.797 14.952 1.00 0.00 H ATOM 1621 HE3 LYS A 105 24.315 31.324 15.951 1.00 0.00 H ATOM 1622 HZ1 LYS A 105 21.695 32.310 16.979 1.00 0.00 H ATOM 1623 HZ2 LYS A 105 23.027 31.859 17.932 1.00 0.00 H ATOM 1624 HZ3 LYS A 105 23.136 33.208 16.906 1.00 0.00 H ATOM 1625 H LYS A 105 23.129 25.931 14.038 1.00 0.00 H ATOM 1626 N LEU A 106 25.770 28.250 12.538 1.00 12.61 N ATOM 1627 CA LEU A 106 27.221 28.132 12.680 1.00 15.78 C ATOM 1628 C LEU A 106 27.699 29.388 13.384 1.00 16.39 C ATOM 1629 O LEU A 106 27.188 30.483 13.128 1.00 18.68 O ATOM 1630 CB LEU A 106 27.926 27.982 11.324 1.00 15.45 C ATOM 1631 CG LEU A 106 27.588 26.694 10.565 1.00 15.93 C ATOM 1632 CD1 LEU A 106 28.352 26.661 9.257 1.00 15.56 C ATOM 1633 CD2 LEU A 106 27.898 25.456 11.419 1.00 14.53 C ATOM 1634 HA LEU A 106 27.462 27.235 13.251 1.00 0.00 H ATOM 1635 HB2 LEU A 106 27.644 28.829 10.699 1.00 0.00 H ATOM 1636 HB3 LEU A 106 29.002 28.002 11.496 1.00 0.00 H ATOM 1637 HG LEU A 106 26.520 26.680 10.348 1.00 0.00 H ATOM 1638 HD21 LEU A 106 28.958 25.446 11.671 1.00 0.00 H ATOM 1639 HD22 LEU A 106 27.306 25.490 12.334 1.00 0.00 H ATOM 1640 HD23 LEU A 106 27.649 24.556 10.856 1.00 0.00 H ATOM 1641 HD11 LEU A 106 28.072 27.523 8.652 1.00 0.00 H ATOM 1642 HD12 LEU A 106 29.422 26.692 9.462 1.00 0.00 H ATOM 1643 HD13 LEU A 106 28.110 25.744 8.719 1.00 0.00 H ATOM 1644 H LEU A 106 25.385 29.009 11.940 1.00 0.00 H ATOM 1645 N GLU A 107 28.570 29.207 14.368 1.00 17.36 N ATOM 1646 CA GLU A 107 29.109 30.335 15.115 1.00 18.70 C ATOM 1647 C GLU A 107 30.613 30.402 14.980 1.00 18.92 C ATOM 1648 O GLU A 107 31.205 29.491 14.365 1.00 20.38 O ATOM 1649 CB GLU A 107 28.775 30.225 16.586 1.00 17.78 C ATOM 1650 CG GLU A 107 27.333 30.244 16.895 1.00 17.21 C ATOM 1651 CD GLU A 107 27.095 30.441 18.378 1.00 16.88 C ATOM 1652 OE1 GLU A 107 27.874 29.926 19.221 1.00 15.22 O ATOM 1653 OE2 GLU A 107 26.122 31.132 18.703 1.00 19.46 O ATOM 1654 HA GLU A 107 28.656 31.235 14.700 1.00 0.00 H ATOM 1655 OXT GLU A 107 31.171 31.369 15.522 1.00 20.06 O ATOM 1656 HB2 GLU A 107 29.190 29.289 16.959 1.00 0.00 H ATOM 1657 HB3 GLU A 107 29.244 31.061 17.104 1.00 0.00 H ATOM 1658 HG2 GLU A 107 26.862 31.060 16.347 1.00 0.00 H ATOM 1659 HG3 GLU A 107 26.890 29.297 16.586 1.00 0.00 H ATOM 1660 H GLU A 107 28.873 28.242 14.610 1.00 0.00 H TER 1661 GLU A 107 HETATM 1662 O HOH 1 28.412 3.272 21.384 1.00 6.59 O HETATM 1663 O HOH 2 28.613 1.095 29.272 1.00 7.38 O HETATM 1664 O HOH 3 29.620 25.139 2.590 1.00 12.24 O HETATM 1665 O HOH 4 30.058 29.329 6.610 1.00 14.19 O HETATM 1666 O HOH 5 22.051 19.249 3.226 1.00 10.35 O HETATM 1667 O HOH 6 19.375 19.394 3.081 1.00 9.36 O HETATM 1668 O HOH 7 25.069 30.686 5.363 1.00 12.63 O HETATM 1669 O HOH 8 31.169 19.681 5.264 1.00 11.98 O HETATM 1670 O HOH 9 42.287 24.025 5.226 1.00 13.02 O HETATM 1671 O HOH 10 28.918 1.421 23.410 1.00 9.68 O HETATM 1672 O HOH 11 23.561 20.502 25.432 1.00 11.13 O HETATM 1673 O HOH 12 28.576 8.952 6.324 1.00 11.14 O HETATM 1674 O HOH 13 31.314 8.697 7.245 1.00 16.31 O HETATM 1675 O HOH 14 34.039 7.489 18.405 1.00 10.89 O HETATM 1676 O HOH 15 33.276 6.235 27.686 1.00 16.16 O HETATM 1677 O HOH 16 31.853 -5.872 26.311 1.00 15.46 O HETATM 1678 O HOH 17 14.810 23.043 23.908 1.00 19.49 O HETATM 1679 O HOH 18 13.549 22.489 21.335 1.00 25.75 O HETATM 1680 O HOH 19 27.156 2.531 9.127 1.00 17.68 O HETATM 1681 O HOH 20 18.408 3.904 12.125 1.00 13.18 O HETATM 1682 O HOH 21 25.483 -0.712 14.095 1.00 11.79 O HETATM 1683 O HOH 22 31.921 -1.038 30.189 1.00 16.86 O HETATM 1684 O HOH 23 22.751 20.914 30.690 1.00 17.99 O HETATM 1685 O HOH 24 30.283 6.142 7.531 1.00 19.60 O HETATM 1686 O HOH 25 25.987 21.455 26.098 1.00 15.20 O HETATM 1687 O HOH 26 15.396 16.084 18.553 1.00 21.56 O HETATM 1688 O HOH 27 27.189 9.987 32.104 1.00 21.61 O HETATM 1689 O HOH 28 10.467 13.619 6.447 1.00 22.56 O HETATM 1690 O HOH 29 27.538 22.908 24.187 1.00 21.91 O HETATM 1691 O HOH 30 36.300 3.948 14.239 1.00 18.50 O HETATM 1692 O HOH 31 23.122 18.130 0.802 1.00 26.90 O HETATM 1693 O HOH 32 30.225 33.231 17.322 1.00 33.31 O HETATM 1694 O HOH 33 16.301 9.791 29.182 1.00 23.06 O HETATM 1695 O HOH 34 16.570 17.601 16.594 1.00 19.46 O HETATM 1696 O HOH 35 18.322 26.781 11.488 1.00 18.97 O HETATM 1697 O HOH 36 13.282 22.132 6.274 1.00 22.72 O HETATM 1698 O HOH 37 30.298 -2.238 14.168 1.00 22.95 O HETATM 1699 O HOH 38 24.561 29.893 10.334 1.00 14.26 O HETATM 1700 O HOH 39 13.455 25.035 6.140 1.00 35.16 O HETATM 1701 O HOH 40 9.995 16.603 8.256 1.00 26.92 O HETATM 1702 O HOH 41 32.140 0.766 10.776 1.00 17.71 O HETATM 1703 O HOH 42 23.287 15.747 4.205 1.00 18.95 O HETATM 1704 O HOH 43 20.804 6.262 29.172 1.00 15.40 O HETATM 1705 O HOH 44 35.987 -1.289 29.048 1.00 23.41 O HETATM 1706 O HOH 45 27.760 -2.836 14.052 1.00 17.91 O HETATM 1707 O HOH 46 27.461 -4.151 17.122 1.00 24.70 O HETATM 1708 O HOH 47 18.042 28.378 9.048 1.00 13.50 O HETATM 1709 O HOH 48 30.302 26.722 6.388 1.00 19.75 O HETATM 1710 O HOH 49 14.760 23.448 17.336 1.00 26.35 O HETATM 1711 O HOH 50 20.295 7.136 10.072 1.00 12.92 O HETATM 1712 C01 UNN A 51 26.108 12.501 25.848 1.00 -0.01 C HETATM 1713 C10 UNN A 51 25.502 12.055 24.548 1.00 0.29 C HETATM 1714 C11 UNN A 51 26.460 11.880 23.441 1.00 0.22 C HETATM 1715 N12 UNN A 51 26.958 12.941 22.761 1.00 -0.26 N HETATM 1716 C16 UNN A 51 27.938 12.754 21.659 1.00 0.14 C HETATM 1717 C15 UNN A 51 27.564 13.571 20.408 1.00 -0.01 C HETATM 1718 C14 UNN A 51 27.344 15.061 20.741 1.00 -0.05 C HETATM 1719 C13 UNN A 51 26.326 15.255 21.885 1.00 -0.03 C HETATM 1720 C12 UNN A 51 26.680 14.371 23.122 1.00 0.04 C HETATM 1721 H12 UNN A 51 27.574 14.790 23.608 1.00 0.05 H HETATM 1722 H13 UNN A 51 25.834 14.397 23.825 1.00 0.05 H HETATM 1723 H14 UNN A 51 26.327 16.312 22.189 1.00 0.03 H HETATM 1724 H15 UNN A 51 25.325 14.979 21.523 1.00 0.03 H HETATM 1725 H16 UNN A 51 28.305 15.503 21.043 1.00 0.03 H HETATM 1726 H17 UNN A 51 26.970 15.574 19.843 1.00 0.03 H HETATM 1727 H18 UNN A 51 28.377 13.487 19.672 1.00 0.03 H HETATM 1728 H19 UNN A 51 26.637 13.162 19.979 1.00 0.03 H HETATM 1729 C17 UNN A 51 29.320 13.158 22.147 1.00 0.26 C HETATM 1730 O18 UNN A 51 29.567 13.406 23.456 1.00 -0.27 O HETATM 1731 C18 UNN A 51 30.921 13.770 23.757 1.00 0.09 C HETATM 1732 C27 UNN A 51 30.983 15.038 24.632 1.00 -0.02 C HETATM 1733 C28 UNN A 51 29.607 15.614 24.881 1.00 -0.04 C HETATM 1734 C29 UNN A 51 29.219 15.326 26.330 1.00 -0.02 C HETATM 1735 C30 UNN A 51 28.253 16.389 26.784 1.00 -0.04 C HETATM 1736 C35 UNN A 51 28.561 17.186 27.889 1.00 -0.06 C HETATM 1737 C34 UNN A 51 27.662 18.169 28.307 1.00 -0.07 C HETATM 1738 C33 UNN A 51 26.454 18.360 27.617 1.00 -0.07 C HETATM 1739 C32 UNN A 51 26.148 17.559 26.509 1.00 -0.07 C HETATM 1740 C31 UNN A 51 27.048 16.577 26.093 1.00 -0.06 C HETATM 1741 H38 UNN A 51 26.815 15.958 25.234 1.00 0.06 H HETATM 1742 H39 UNN A 51 25.215 17.702 25.976 1.00 0.06 H HETATM 1743 H40 UNN A 51 25.759 19.126 27.941 1.00 0.06 H HETATM 1744 H41 UNN A 51 27.897 18.786 29.166 1.00 0.06 H HETATM 1745 H42 UNN A 51 29.495 17.042 28.420 1.00 0.06 H HETATM 1746 H36 UNN A 51 30.117 15.344 26.965 1.00 0.04 H HETATM 1747 H37 UNN A 51 28.742 14.337 26.397 1.00 0.04 H HETATM 1748 H34 UNN A 51 28.880 15.146 24.202 1.00 0.03 H HETATM 1749 H35 UNN A 51 29.622 16.700 24.709 1.00 0.03 H HETATM 1750 H32 UNN A 51 31.599 15.793 24.122 1.00 0.03 H HETATM 1751 H33 UNN A 51 31.442 14.782 25.598 1.00 0.03 H HETATM 1752 C19 UNN A 51 31.603 12.604 24.468 1.00 -0.02 C HETATM 1753 C20 UNN A 51 33.010 13.010 24.940 1.00 -0.04 C HETATM 1754 C21 UNN A 51 33.954 11.846 24.721 1.00 -0.01 C HETATM 1755 C22 UNN A 51 34.617 11.998 23.378 1.00 -0.01 C HETATM 1756 C26 UNN A 51 34.371 11.062 22.354 1.00 -0.04 C HETATM 1757 C25 UNN A 51 35.064 11.161 21.140 1.00 -0.04 C HETATM 1758 C24 UNN A 51 35.987 12.205 20.983 1.00 0.00 C HETATM 1759 N23 UNN A 51 36.204 13.109 21.980 1.00 -0.30 N HETATM 1760 C23 UNN A 51 35.552 13.034 23.155 1.00 0.01 C HETATM 1761 H28 UNN A 51 35.744 13.768 23.930 1.00 0.08 H HETATM 1762 H29 UNN A 51 36.537 12.295 20.053 1.00 0.08 H HETATM 1763 H30 UNN A 51 34.891 10.448 20.342 1.00 0.07 H HETATM 1764 H31 UNN A 51 33.648 10.268 22.505 1.00 0.07 H HETATM 1765 H26 UNN A 51 33.389 10.903 24.748 1.00 0.04 H HETATM 1766 H27 UNN A 51 34.719 11.838 25.511 1.00 0.04 H HETATM 1767 H24 UNN A 51 32.981 13.266 26.009 1.00 0.03 H HETATM 1768 H25 UNN A 51 33.356 13.880 24.363 1.00 0.03 H HETATM 1769 H22 UNN A 51 31.685 11.755 23.774 1.00 0.03 H HETATM 1770 H23 UNN A 51 31.000 12.309 25.339 1.00 0.03 H HETATM 1771 H21 UNN A 51 31.450 13.972 22.814 1.00 0.06 H HETATM 1772 O17 UNN A 51 30.235 13.267 21.354 1.00 -0.37 O HETATM 1773 H20 UNN A 51 27.954 11.689 21.384 1.00 0.08 H HETATM 1774 O11 UNN A 51 26.822 10.747 23.163 1.00 -0.37 O HETATM 1775 F10 UNN A 51 24.509 12.877 24.144 1.00 -0.26 F HETATM 1776 F11 UNN A 51 24.945 10.855 24.781 1.00 -0.26 F HETATM 1777 C06 UNN A 51 27.300 11.861 26.289 1.00 -0.02 C HETATM 1778 C05 UNN A 51 27.879 12.190 27.538 1.00 0.15 C HETATM 1779 C04 UNN A 51 27.271 13.166 28.347 1.00 0.20 C HETATM 1780 C03 UNN A 51 26.077 13.812 27.910 1.00 0.15 C HETATM 1781 C02 UNN A 51 25.498 13.476 26.660 1.00 -0.02 C HETATM 1782 H1 UNN A 51 24.590 13.968 26.331 1.00 0.06 H HETATM 1783 O03 UNN A 51 25.493 14.769 28.709 1.00 -0.32 O HETATM 1784 C07 UNN A 51 24.318 15.454 28.253 1.00 0.06 C HETATM 1785 H3 UNN A 51 23.995 16.177 29.017 1.00 0.06 H HETATM 1786 H4 UNN A 51 23.514 14.725 28.075 1.00 0.06 H HETATM 1787 H5 UNN A 51 24.544 15.986 27.317 1.00 0.06 H HETATM 1788 O04 UNN A 51 27.862 13.516 29.556 1.00 -0.30 O HETATM 1789 C08 UNN A 51 27.081 13.366 30.766 1.00 0.07 C HETATM 1790 H6 UNN A 51 27.682 13.681 31.632 1.00 0.06 H HETATM 1791 H7 UNN A 51 26.790 12.312 30.886 1.00 0.06 H HETATM 1792 H8 UNN A 51 26.178 13.991 30.699 1.00 0.06 H HETATM 1793 O05 UNN A 51 29.004 11.523 28.001 1.00 -0.32 O HETATM 1794 C09 UNN A 51 29.839 10.812 27.079 1.00 0.06 C HETATM 1795 H9 UNN A 51 30.676 10.350 27.623 1.00 0.06 H HETATM 1796 H10 UNN A 51 30.233 11.511 26.326 1.00 0.06 H HETATM 1797 H11 UNN A 51 29.250 10.029 26.579 1.00 0.06 H HETATM 1798 H2 UNN A 51 27.770 11.113 25.661 1.00 0.06 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1712 1713 1777 1781 CONECT 1713 1712 1714 1775 1776 CONECT 1714 1713 1715 1774 CONECT 1715 1714 1716 1720 CONECT 1716 1715 1717 1729 1773 CONECT 1717 1716 1718 1727 1728 CONECT 1718 1717 1719 1725 1726 CONECT 1719 1718 1720 1723 1724 CONECT 1720 1715 1719 1721 1722 CONECT 1721 1720 CONECT 1722 1720 CONECT 1723 1719 CONECT 1724 1719 CONECT 1725 1718 CONECT 1726 1718 CONECT 1727 1717 CONECT 1728 1717 CONECT 1729 1716 1730 1772 CONECT 1730 1729 1731 CONECT 1731 1730 1732 1752 1771 CONECT 1732 1731 1733 1750 1751 CONECT 1733 1732 1734 1748 1749 CONECT 1734 1733 1735 1746 1747 CONECT 1735 1734 1736 1740 CONECT 1736 1735 1737 1745 CONECT 1737 1736 1738 1744 CONECT 1738 1737 1739 1743 CONECT 1739 1738 1740 1742 CONECT 1740 1735 1739 1741 CONECT 1741 1740 CONECT 1742 1739 CONECT 1743 1738 CONECT 1744 1737 CONECT 1745 1736 CONECT 1746 1734 CONECT 1747 1734 CONECT 1748 1733 CONECT 1749 1733 CONECT 1750 1732 CONECT 1751 1732 CONECT 1752 1731 1753 1769 1770 CONECT 1753 1752 1754 1767 1768 CONECT 1754 1753 1755 1765 1766 CONECT 1755 1754 1756 1760 CONECT 1756 1755 1757 1764 CONECT 1757 1756 1758 1763 CONECT 1758 1757 1759 1762 CONECT 1759 1758 1760 CONECT 1760 1755 1759 1761 CONECT 1761 1760 CONECT 1762 1758 CONECT 1763 1757 CONECT 1764 1756 CONECT 1765 1754 CONECT 1766 1754 CONECT 1767 1753 CONECT 1768 1753 CONECT 1769 1752 CONECT 1770 1752 CONECT 1771 1731 CONECT 1772 1729 CONECT 1773 1716 CONECT 1774 1714 CONECT 1775 1713 CONECT 1776 1713 CONECT 1777 1712 1778 1798 CONECT 1778 1777 1779 1793 CONECT 1779 1778 1780 1788 CONECT 1780 1779 1781 1783 CONECT 1781 1712 1780 1782 CONECT 1782 1781 CONECT 1783 1780 1784 CONECT 1784 1783 1785 1786 1787 CONECT 1785 1784 CONECT 1786 1784 CONECT 1787 1784 CONECT 1788 1779 1789 CONECT 1789 1788 1790 1791 1792 CONECT 1790 1789 CONECT 1791 1789 CONECT 1792 1789 CONECT 1793 1778 1794 CONECT 1794 1793 1795 1796 1797 CONECT 1795 1794 CONECT 1796 1794 CONECT 1797 1794 CONECT 1798 1777 MASTER 0 0 0 0 0 0 0 0 1797 1 91 9 END
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Structure:
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Related entries of code: 1j4r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a7x
RCSB PDB
PDBbind
107aa, >1A7X_1|Chains... *
1b6c
RCSB PDB
PDBbind
107aa, >1B6C_1|Chains... at 100%
1bl4
RCSB PDB
PDBbind
107aa, >1BL4_1|Chains... at 99%
1d7i
RCSB PDB
PDBbind
107aa, >1D7I_1|Chains... at 100%
1d7j
RCSB PDB
PDBbind
107aa, >1D7J_1|Chains... at 100%
1f40
RCSB PDB
PDBbind
107aa, >1F40_1|Chain... at 100%
1fkb
RCSB PDB
PDBbind
107aa, >1FKB_1|Chain... at 100%
1fkf
RCSB PDB
PDBbind
107aa, >1FKF_1|Chain... at 100%
1fkg
RCSB PDB
PDBbind
107aa, >1FKG_1|Chain... at 100%
1fkh
RCSB PDB
PDBbind
107aa, >1FKH_1|Chain... at 100%
1fki
RCSB PDB
PDBbind
107aa, >1FKI_1|Chains... at 100%
1qpf
RCSB PDB
PDBbind
107aa, >1QPF_1|Chains... at 100%
1qpl
RCSB PDB
PDBbind
107aa, >1QPL_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1j4r
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
FK506 binding protein
Ligand Name
001
EC.Number
E.C.5.2.1.8
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=0.019uM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
Org.Lett. v3 pp. 3987-90, 2001
Ligand Properties
Formula
C
3
5
H
4
2
F
2
N
2
O
6
Molecular Weight
624.715
Exact Mass
624.301
No. of atoms
87
No. of bonds
90
Polar Surface Area
87.19
LOGP Value
7.11 (
Computed with XLOGP3
)
6.48 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
COc1cc(cc(c1OC)OC)C(C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCCc1cccnc1)CCCc1ccccc1)(F)F
InChI String
InChI=1S/C35H42F2N2O6/c1-42-30-22-27(23-31(43-2)32(30)44-3)35(36,37)34(41)39-21-8-7-19-29(39)33(40)45-28(17-9-14-25-12-5-4-6-13-25)18-10-15-26-16-11-20-38-24-26/h4-6,11-13,16,20,22-24,28-29H,7-10,14-15,17-19,21H2,1-3H3/t28-,29-/m0/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):
P62942
Entrez Gene ID
NCBI Entrez Gene ID:
2280
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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