Browse entries in the PDBbind-CN Database
HEADER 6R11_COMPLEX COMPND 6R11_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 109 ALA PRO GLY ALA SER ILE PHE ARG CYS ARG GLN CYS GLY SEQRES 2 A 109 GLN THR ILE SER ARG ARG ASP TRP LEU LEU PRO MET GLY SEQRES 3 A 109 GLY ASP HIS GLU HIS VAL VAL PHE ASN PRO ALA GLY MET SEQRES 4 A 109 ILE PHE ARG VAL TRP CYS PHE SER LEU ALA GLN GLY LEU SEQRES 5 A 109 ARG LEU ILE GLY ALA PRO SER GLY GLU PHE SER TRP PHE SEQRES 6 A 109 LYS GLY TYR ASP TRP THR ILE ALA LEU CYS GLY GLN CYS SEQRES 7 A 109 GLY SER HIS LEU GLY TRP HIS TYR GLU GLY GLY SER GLN SEQRES 8 A 109 PRO GLN THR PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA SEQRES 9 A 109 GLU GLY PRO ALA ASP HET ZN A 1 1 HET JOB A 179 28 ATOM 1 N ALA A 16 11.127 12.292 26.790 1.00 60.11 N ATOM 2 CA ALA A 16 12.278 13.184 26.418 1.00 58.54 C ATOM 3 C ALA A 16 13.164 12.531 25.345 1.00 57.81 C ATOM 4 O ALA A 16 14.291 12.111 25.635 1.00 58.70 O ATOM 5 CB ALA A 16 13.111 13.500 27.664 1.00 59.03 C ATOM 6 HN3 ALA A 16 11.493 11.393 27.164 1.00 0.00 H ATOM 7 HN2 ALA A 16 10.546 12.108 25.947 1.00 0.00 H ATOM 8 HN1 ALA A 16 10.548 12.760 27.516 1.00 0.00 H ATOM 9 N PRO A 17 12.674 12.446 24.099 1.00 56.74 N ATOM 10 CA PRO A 17 13.506 11.807 23.066 1.00 55.03 C ATOM 11 C PRO A 17 14.755 12.642 22.729 1.00 51.33 C ATOM 12 O PRO A 17 14.649 13.844 22.603 1.00 51.39 O ATOM 13 CB PRO A 17 12.557 11.741 21.838 1.00 55.00 C ATOM 14 CG PRO A 17 11.518 12.785 22.100 1.00 55.45 C ATOM 15 CD PRO A 17 11.344 12.843 23.584 1.00 57.38 C ATOM 16 N GLY A 18 15.914 12.014 22.573 1.00 50.88 N ATOM 17 CA GLY A 18 17.120 12.717 22.089 1.00 48.58 C ATOM 18 C GLY A 18 17.389 12.657 20.600 1.00 48.52 C ATOM 19 O GLY A 18 18.362 13.236 20.161 1.00 49.69 O ATOM 20 H GLY A 18 15.975 11.000 22.797 1.00 0.00 H ATOM 21 N ALA A 19 16.547 11.995 19.801 1.00 50.44 N ATOM 22 CA ALA A 19 16.816 11.801 18.367 1.00 51.05 C ATOM 23 C ALA A 19 15.767 12.498 17.522 1.00 50.14 C ATOM 24 O ALA A 19 15.372 11.973 16.517 1.00 61.83 O ATOM 25 CB ALA A 19 16.874 10.297 18.038 1.00 52.68 C ATOM 26 H ALA A 19 15.673 11.604 20.206 1.00 0.00 H ATOM 27 N SER A 20 15.339 13.681 17.911 1.00 46.14 N ATOM 28 CA SER A 20 14.110 14.250 17.412 1.00 43.36 C ATOM 29 C SER A 20 14.239 15.270 16.303 1.00 39.16 C ATOM 30 O SER A 20 13.440 15.282 15.361 1.00 36.84 O ATOM 31 CB SER A 20 13.337 14.866 18.575 1.00 47.61 C ATOM 32 OG SER A 20 12.065 15.127 18.170 1.00 47.84 O ATOM 33 HG SER A 20 12.086 15.760 17.409 1.00 0.00 H ATOM 34 H SER A 20 15.903 14.221 18.598 1.00 0.00 H ATOM 35 N ILE A 21 15.166 16.201 16.466 1.00 34.32 N ATOM 36 CA ILE A 21 15.266 17.407 15.639 1.00 32.36 C ATOM 37 C ILE A 21 16.650 17.376 14.999 1.00 28.11 C ATOM 38 O ILE A 21 17.620 16.923 15.646 1.00 28.07 O ATOM 39 CB ILE A 21 15.148 18.660 16.567 1.00 35.40 C ATOM 40 CG1 ILE A 21 13.769 18.746 17.187 1.00 41.98 C ATOM 41 CG2 ILE A 21 15.492 19.954 15.880 1.00 37.54 C ATOM 42 CD1 ILE A 21 12.695 18.735 16.159 1.00 41.02 C ATOM 43 H ILE A 21 15.864 16.069 17.225 1.00 0.00 H ATOM 44 N PHE A 22 16.745 17.831 13.755 1.00 24.59 N ATOM 45 CA PHE A 22 18.003 18.053 13.098 1.00 24.43 C ATOM 46 C PHE A 22 18.271 19.563 13.001 1.00 24.24 C ATOM 47 O PHE A 22 17.420 20.303 12.521 1.00 23.77 O ATOM 48 CB PHE A 22 18.019 17.441 11.698 1.00 24.85 C ATOM 49 CG PHE A 22 18.041 15.949 11.720 1.00 26.09 C ATOM 50 CD1 PHE A 22 19.230 15.253 11.879 1.00 28.86 C ATOM 51 CD2 PHE A 22 16.864 15.221 11.628 1.00 28.10 C ATOM 52 CE1 PHE A 22 19.249 13.848 11.927 1.00 29.57 C ATOM 53 CE2 PHE A 22 16.889 13.835 11.582 1.00 28.17 C ATOM 54 CZ PHE A 22 18.086 13.165 11.774 1.00 29.00 C ATOM 55 H PHE A 22 15.869 18.036 13.233 1.00 0.00 H ATOM 56 N ARG A 23 19.457 19.968 13.437 1.00 23.26 N ATOM 57 CA ARG A 23 19.892 21.345 13.365 1.00 23.40 C ATOM 58 C ARG A 23 21.143 21.443 12.514 1.00 22.69 C ATOM 59 O ARG A 23 21.856 20.491 12.373 1.00 22.43 O ATOM 60 CB ARG A 23 20.221 21.843 14.772 1.00 25.11 C ATOM 61 CG ARG A 23 19.013 21.889 15.680 1.00 26.33 C ATOM 62 CD ARG A 23 19.332 22.523 17.053 1.00 28.55 C ATOM 63 NE ARG A 23 18.073 22.684 17.772 1.00 29.64 N ATOM 64 CZ ARG A 23 17.153 23.632 17.555 1.00 30.73 C ATOM 65 NH1 ARG A 23 17.371 24.642 16.732 1.00 30.62 N ATOM 66 NH2 ARG A 23 16.015 23.582 18.220 1.00 33.60 N ATOM 67 HE ARG A 23 17.871 21.996 18.526 1.00 0.00 H ATOM 68 HH12 ARG A 23 16.635 25.362 16.586 1.00 0.00 H ATOM 69 HH11 ARG A 23 18.279 24.717 16.230 1.00 0.00 H ATOM 70 HH22 ARG A 23 15.289 24.310 18.064 1.00 0.00 H ATOM 71 HH21 ARG A 23 15.844 22.814 18.900 1.00 0.00 H ATOM 72 H ARG A 23 20.102 19.264 13.849 1.00 0.00 H ATOM 73 N CYS A 24 21.412 22.632 11.944 1.00 23.07 N ATOM 74 CA CYS A 24 22.666 22.892 11.327 1.00 22.01 C ATOM 75 C CYS A 24 23.843 22.647 12.317 1.00 23.99 C ATOM 76 O CYS A 24 23.835 23.202 13.424 1.00 23.35 O ATOM 77 CB CYS A 24 22.694 24.302 10.787 1.00 22.16 C ATOM 78 SG CYS A 24 24.326 24.776 10.054 1.00 22.59 S ATOM 79 H CYS A 24 20.686 23.377 11.955 1.00 0.00 H ATOM 80 N ARG A 25 24.804 21.809 11.903 1.00 24.03 N ATOM 81 CA ARG A 25 25.941 21.501 12.741 1.00 26.27 C ATOM 82 C ARG A 25 26.818 22.710 13.075 1.00 25.43 C ATOM 83 O ARG A 25 27.477 22.734 14.124 1.00 26.29 O ATOM 84 CB ARG A 25 26.778 20.413 12.047 1.00 27.77 C ATOM 85 CG ARG A 25 28.063 20.067 12.736 1.00 29.29 C ATOM 86 CD ARG A 25 28.725 18.956 11.991 1.00 27.85 C ATOM 87 NE ARG A 25 30.022 18.768 12.588 1.00 29.11 N ATOM 88 CZ ARG A 25 30.897 17.865 12.180 1.00 28.34 C ATOM 89 NH1 ARG A 25 30.577 17.039 11.171 1.00 25.20 N ATOM 90 NH2 ARG A 25 32.078 17.808 12.772 1.00 29.86 N ATOM 91 HE ARG A 25 30.286 19.379 13.387 1.00 0.00 H ATOM 92 HH12 ARG A 25 31.261 16.326 10.845 1.00 0.00 H ATOM 93 HH11 ARG A 25 29.645 17.112 10.715 1.00 0.00 H ATOM 94 HH22 ARG A 25 32.780 17.105 12.465 1.00 0.00 H ATOM 95 HH21 ARG A 25 32.305 18.467 13.544 1.00 0.00 H ATOM 96 H ARG A 25 24.730 21.373 10.962 1.00 0.00 H ATOM 97 N GLN A 26 26.838 23.700 12.196 1.00 25.64 N ATOM 98 CA GLN A 26 27.678 24.892 12.392 1.00 28.79 C ATOM 99 C GLN A 26 27.095 25.966 13.269 1.00 29.29 C ATOM 100 O GLN A 26 27.836 26.654 13.938 1.00 32.51 O ATOM 101 CB GLN A 26 28.082 25.471 11.031 1.00 30.78 C ATOM 102 CG GLN A 26 28.762 24.450 10.150 1.00 31.93 C ATOM 103 CD GLN A 26 30.045 23.880 10.766 1.00 37.23 C ATOM 104 OE1 GLN A 26 30.770 24.579 11.493 1.00 38.21 O ATOM 105 NE2 GLN A 26 30.270 22.580 10.570 1.00 42.24 N ATOM 106 HE22 GLN A 26 29.638 22.030 9.953 1.00 0.00 H ATOM 107 HE21 GLN A 26 31.077 22.116 11.034 1.00 0.00 H ATOM 108 H GLN A 26 26.244 23.633 11.345 1.00 0.00 H ATOM 109 N CYS A 27 25.769 26.136 13.271 1.00 26.37 N ATOM 110 CA CYS A 27 25.159 27.281 13.939 1.00 27.27 C ATOM 111 C CYS A 27 23.897 26.959 14.758 1.00 27.63 C ATOM 112 O CYS A 27 23.401 27.810 15.533 1.00 29.84 O ATOM 113 CB CYS A 27 24.912 28.387 12.933 1.00 26.80 C ATOM 114 SG CYS A 27 23.454 27.988 11.935 1.00 25.14 S ATOM 115 H CYS A 27 25.163 25.442 12.789 1.00 0.00 H ATOM 116 N GLY A 28 23.365 25.751 14.629 1.00 25.84 N ATOM 117 CA GLY A 28 22.218 25.330 15.357 1.00 25.66 C ATOM 118 C GLY A 28 20.856 25.701 14.819 1.00 25.72 C ATOM 119 O GLY A 28 19.820 25.396 15.440 1.00 26.76 O ATOM 120 H GLY A 28 23.806 25.082 13.966 1.00 0.00 H ATOM 121 N GLN A 29 20.802 26.323 13.643 1.00 25.41 N ATOM 122 CA GLN A 29 19.509 26.588 12.983 1.00 25.86 C ATOM 123 C GLN A 29 18.671 25.317 12.906 1.00 25.26 C ATOM 124 O GLN A 29 19.178 24.296 12.511 1.00 24.43 O ATOM 125 CB GLN A 29 19.761 27.076 11.544 1.00 25.55 C ATOM 126 CG GLN A 29 18.518 27.286 10.680 1.00 25.26 C ATOM 127 CD GLN A 29 18.011 28.690 10.736 1.00 25.78 C ATOM 128 OE1 GLN A 29 17.850 29.235 11.803 1.00 27.96 O ATOM 129 NE2 GLN A 29 17.744 29.276 9.587 1.00 25.87 N ATOM 130 HE22 GLN A 29 17.899 28.765 8.694 1.00 0.00 H ATOM 131 HE21 GLN A 29 17.378 30.249 9.572 1.00 0.00 H ATOM 132 H GLN A 29 21.684 26.627 13.183 1.00 0.00 H ATOM 133 N THR A 30 17.394 25.413 13.242 1.00 25.66 N ATOM 134 CA THR A 30 16.472 24.245 13.099 1.00 26.18 C ATOM 135 C THR A 30 16.284 23.952 11.630 1.00 25.00 C ATOM 136 O THR A 30 15.997 24.871 10.880 1.00 25.37 O ATOM 137 CB THR A 30 15.074 24.543 13.705 1.00 29.45 C ATOM 138 OG1 THR A 30 15.163 25.236 14.955 1.00 34.27 O ATOM 139 CG2 THR A 30 14.326 23.280 13.873 1.00 30.70 C ATOM 140 HG1 THR A 30 14.252 25.404 15.303 1.00 0.00 H ATOM 141 H THR A 30 17.027 26.314 13.611 1.00 0.00 H ATOM 142 N ILE A 31 16.464 22.711 11.219 1.00 24.32 N ATOM 143 CA ILE A 31 16.384 22.358 9.809 1.00 24.44 C ATOM 144 C ILE A 31 15.292 21.317 9.536 1.00 26.86 C ATOM 145 O ILE A 31 14.510 21.480 8.613 1.00 28.80 O ATOM 146 CB ILE A 31 17.718 21.815 9.246 1.00 23.10 C ATOM 147 CG1 ILE A 31 18.846 22.838 9.390 1.00 22.89 C ATOM 148 CG2 ILE A 31 17.566 21.474 7.765 1.00 22.93 C ATOM 149 CD1 ILE A 31 18.651 24.193 8.675 1.00 22.82 C ATOM 150 H ILE A 31 16.668 21.968 11.918 1.00 0.00 H ATOM 151 N SER A 32 15.252 20.232 10.271 1.00 27.30 N ATOM 152 CA SER A 32 14.265 19.179 9.988 1.00 27.57 C ATOM 153 C SER A 32 14.016 18.293 11.187 1.00 28.80 C ATOM 154 O SER A 32 14.490 18.615 12.300 1.00 26.56 O ATOM 155 CB SER A 32 14.674 18.362 8.732 1.00 26.33 C ATOM 156 OG SER A 32 13.560 17.645 8.268 1.00 27.38 O ATOM 157 HG SER A 32 12.836 18.278 8.033 1.00 0.00 H ATOM 158 H SER A 32 15.922 20.115 11.058 1.00 0.00 H ATOM 159 N ARG A 33 13.304 17.172 10.989 1.00 28.17 N ATOM 160 CA ARG A 33 12.884 16.322 12.077 1.00 30.67 C ATOM 161 C ARG A 33 13.025 14.882 11.632 1.00 29.92 C ATOM 162 O ARG A 33 12.775 14.564 10.457 1.00 26.53 O ATOM 163 CB ARG A 33 11.409 16.619 12.443 1.00 34.28 C ATOM 164 CG ARG A 33 11.067 18.084 12.735 1.00 36.77 C ATOM 165 CD ARG A 33 9.622 18.257 13.232 1.00 41.63 C ATOM 166 NE ARG A 33 9.461 17.640 14.531 1.00 46.79 N ATOM 167 CZ ARG A 33 9.605 18.260 15.710 1.00 53.68 C ATOM 168 NH1 ARG A 33 9.890 19.563 15.794 1.00 57.03 N ATOM 169 NH2 ARG A 33 9.466 17.566 16.830 1.00 55.64 N ATOM 170 HE ARG A 33 9.213 16.630 14.551 1.00 0.00 H ATOM 171 HH12 ARG A 33 9.995 20.013 16.726 1.00 0.00 H ATOM 172 HH11 ARG A 33 10.007 20.127 14.928 1.00 0.00 H ATOM 173 HH22 ARG A 33 9.576 18.037 17.751 1.00 0.00 H ATOM 174 HH21 ARG A 33 9.247 16.550 16.789 1.00 0.00 H ATOM 175 H ARG A 33 13.046 16.907 10.017 1.00 0.00 H ATOM 176 N ARG A 34 13.335 13.987 12.577 1.00 30.63 N ATOM 177 CA ARG A 34 13.387 12.575 12.262 1.00 33.04 C ATOM 178 C ARG A 34 12.034 12.056 11.710 1.00 31.11 C ATOM 179 O ARG A 34 12.025 11.220 10.826 1.00 30.36 O ATOM 180 CB ARG A 34 13.806 11.755 13.478 1.00 37.13 C ATOM 181 CG ARG A 34 13.745 10.227 13.299 1.00 42.19 C ATOM 182 CD ARG A 34 14.596 9.464 14.311 1.00 45.84 C ATOM 183 NE ARG A 34 16.041 9.636 14.040 1.00 49.08 N ATOM 184 CZ ARG A 34 16.793 8.872 13.237 1.00 50.01 C ATOM 185 NH1 ARG A 34 16.309 7.795 12.601 1.00 52.79 N ATOM 186 NH2 ARG A 34 18.068 9.160 13.094 1.00 50.84 N ATOM 187 HE ARG A 34 16.518 10.426 14.519 1.00 0.00 H ATOM 188 HH12 ARG A 34 16.930 7.231 11.987 1.00 0.00 H ATOM 189 HH11 ARG A 34 15.312 7.524 12.722 1.00 0.00 H ATOM 190 HH22 ARG A 34 18.666 8.577 12.474 1.00 0.00 H ATOM 191 HH21 ARG A 34 18.478 9.971 13.600 1.00 0.00 H ATOM 192 H ARG A 34 13.540 14.308 13.545 1.00 0.00 H ATOM 193 N ASP A 35 10.939 12.580 12.248 1.00 32.47 N ATOM 194 CA ASP A 35 9.590 12.218 11.811 1.00 33.88 C ATOM 195 C ASP A 35 9.386 12.483 10.316 1.00 32.93 C ATOM 196 O ASP A 35 8.467 11.917 9.726 1.00 31.80 O ATOM 197 CB ASP A 35 8.534 13.014 12.593 1.00 37.53 C ATOM 198 CG ASP A 35 8.312 12.494 14.002 1.00 42.35 C ATOM 199 OD1 ASP A 35 8.754 11.363 14.324 1.00 46.24 O ATOM 200 OD2 ASP A 35 7.693 13.249 14.779 1.00 45.93 O ATOM 201 H ASP A 35 11.044 13.277 13.012 1.00 0.00 H ATOM 202 N TRP A 36 10.209 13.387 9.738 1.00 30.30 N ATOM 203 CA TRP A 36 10.092 13.808 8.334 1.00 29.14 C ATOM 204 C TRP A 36 11.030 13.071 7.382 1.00 29.03 C ATOM 205 O TRP A 36 11.093 13.405 6.189 1.00 26.82 O ATOM 206 CB TRP A 36 10.257 15.322 8.193 1.00 28.09 C ATOM 207 CG TRP A 36 9.296 16.114 8.947 1.00 30.36 C ATOM 208 CD1 TRP A 36 8.065 15.699 9.485 1.00 32.29 C ATOM 209 CD2 TRP A 36 9.371 17.497 9.229 1.00 32.63 C ATOM 210 NE1 TRP A 36 7.453 16.713 10.127 1.00 34.19 N ATOM 211 CE2 TRP A 36 8.204 17.843 9.966 1.00 33.21 C ATOM 212 CE3 TRP A 36 10.312 18.483 8.965 1.00 31.36 C ATOM 213 CZ2 TRP A 36 7.952 19.153 10.385 1.00 35.48 C ATOM 214 CZ3 TRP A 36 10.077 19.755 9.407 1.00 32.37 C ATOM 215 CH2 TRP A 36 8.910 20.088 10.128 1.00 34.52 C ATOM 216 HE1 TRP A 36 6.560 16.647 10.656 1.00 0.00 H ATOM 217 H TRP A 36 10.964 13.806 10.317 1.00 0.00 H ATOM 218 N LEU A 37 11.727 12.072 7.872 1.00 30.22 N ATOM 219 CA LEU A 37 12.528 11.221 7.000 1.00 31.49 C ATOM 220 C LEU A 37 11.649 10.552 5.938 1.00 32.02 C ATOM 221 O LEU A 37 10.510 10.150 6.202 1.00 31.51 O ATOM 222 CB LEU A 37 13.278 10.178 7.819 1.00 33.15 C ATOM 223 CG LEU A 37 14.529 10.693 8.524 1.00 33.79 C ATOM 224 CD1 LEU A 37 15.018 9.682 9.563 1.00 36.52 C ATOM 225 CD2 LEU A 37 15.588 10.959 7.499 1.00 33.96 C ATOM 226 H LEU A 37 11.708 11.885 8.895 1.00 0.00 H ATOM 227 N LEU A 38 12.145 10.481 4.717 1.00 30.28 N ATOM 228 CA LEU A 38 11.387 10.028 3.560 1.00 31.64 C ATOM 229 C LEU A 38 12.157 8.883 2.873 1.00 35.32 C ATOM 230 O LEU A 38 13.252 9.106 2.326 1.00 32.87 O ATOM 231 CB LEU A 38 11.223 11.191 2.559 1.00 32.06 C ATOM 232 CG LEU A 38 10.613 10.886 1.177 1.00 33.63 C ATOM 233 CD1 LEU A 38 9.210 10.369 1.397 1.00 37.42 C ATOM 234 CD2 LEU A 38 10.646 12.151 0.321 1.00 34.28 C ATOM 235 H LEU A 38 13.135 10.765 4.573 1.00 0.00 H ATOM 236 N PRO A 39 11.621 7.655 2.866 1.00 37.61 N ATOM 237 CA PRO A 39 12.312 6.556 2.185 1.00 40.27 C ATOM 238 C PRO A 39 12.206 6.529 0.644 1.00 42.56 C ATOM 239 O PRO A 39 11.556 5.661 0.095 1.00 54.05 O ATOM 240 CB PRO A 39 11.657 5.312 2.801 1.00 42.44 C ATOM 241 CG PRO A 39 10.293 5.745 3.136 1.00 42.40 C ATOM 242 CD PRO A 39 10.409 7.188 3.571 1.00 40.10 C ATOM 243 N MET A 40 12.935 7.387 -0.046 1.00 41.88 N ATOM 244 CA MET A 40 13.015 7.450 -1.521 1.00 41.31 C ATOM 245 C MET A 40 13.653 6.192 -2.079 1.00 42.56 C ATOM 246 O MET A 40 14.728 5.795 -1.610 1.00 41.41 O ATOM 247 CB MET A 40 13.877 8.633 -1.930 1.00 39.13 C ATOM 248 CG MET A 40 13.271 10.008 -1.733 1.00 40.88 C ATOM 249 SD MET A 40 11.746 10.302 -2.658 1.00 42.95 S ATOM 250 CE MET A 40 12.346 10.024 -4.327 1.00 42.80 C ATOM 251 H MET A 40 13.499 8.075 0.492 1.00 0.00 H ATOM 252 N GLY A 41 12.994 5.550 -3.041 1.00 44.03 N ATOM 253 CA GLY A 41 13.358 4.217 -3.495 1.00 46.54 C ATOM 254 C GLY A 41 13.573 3.175 -2.409 1.00 47.84 C ATOM 255 O GLY A 41 14.437 2.327 -2.562 1.00 49.88 O ATOM 256 H GLY A 41 12.183 6.023 -3.488 1.00 0.00 H ATOM 257 N GLY A 42 12.823 3.249 -1.304 1.00 47.17 N ATOM 258 CA GLY A 42 12.915 2.263 -0.222 1.00 46.95 C ATOM 259 C GLY A 42 13.988 2.507 0.836 1.00 47.75 C ATOM 260 O GLY A 42 14.199 1.646 1.716 1.00 49.68 O ATOM 261 H GLY A 42 12.149 4.035 -1.208 1.00 0.00 H ATOM 262 N ASP A 43 14.673 3.655 0.785 1.00 44.82 N ATOM 263 CA ASP A 43 15.714 3.948 1.773 1.00 45.14 C ATOM 264 C ASP A 43 15.776 5.431 1.982 1.00 39.93 C ATOM 265 O ASP A 43 15.810 6.147 1.001 1.00 39.45 O ATOM 266 CB ASP A 43 17.077 3.442 1.286 1.00 48.07 C ATOM 267 CG ASP A 43 18.059 3.195 2.432 1.00 51.91 C ATOM 268 OD1 ASP A 43 17.952 3.819 3.532 1.00 51.33 O ATOM 269 OD2 ASP A 43 18.978 2.375 2.223 1.00 57.43 O ATOM 270 H ASP A 43 14.464 4.346 0.036 1.00 0.00 H ATOM 271 N HIS A 44 15.778 5.910 3.224 1.00 39.05 N ATOM 272 CA HIS A 44 15.968 7.350 3.461 1.00 36.94 C ATOM 273 C HIS A 44 17.439 7.779 3.217 1.00 35.34 C ATOM 274 O HIS A 44 17.681 8.946 2.946 1.00 33.78 O ATOM 275 CB HIS A 44 15.429 7.801 4.834 1.00 38.11 C ATOM 276 CG HIS A 44 16.147 7.241 6.031 1.00 40.25 C ATOM 277 ND1 HIS A 44 17.456 7.561 6.333 1.00 41.83 N ATOM 278 CD2 HIS A 44 15.695 6.516 7.081 1.00 43.38 C ATOM 279 CE1 HIS A 44 17.803 6.977 7.473 1.00 41.64 C ATOM 280 NE2 HIS A 44 16.756 6.326 7.938 1.00 44.72 N ATOM 281 H HIS A 44 15.645 5.265 4.029 1.00 0.00 H ATOM 282 N GLU A 45 18.366 6.831 3.296 1.00 35.77 N ATOM 283 CA GLU A 45 19.797 7.100 3.072 1.00 35.68 C ATOM 284 C GLU A 45 20.226 6.713 1.667 1.00 36.86 C ATOM 285 O GLU A 45 19.937 5.617 1.197 1.00 37.54 O ATOM 286 CB GLU A 45 20.654 6.346 4.060 1.00 38.21 C ATOM 287 CG GLU A 45 22.138 6.679 3.946 1.00 39.98 C ATOM 288 CD GLU A 45 22.965 6.040 5.035 1.00 44.48 C ATOM 289 OE1 GLU A 45 23.066 6.650 6.132 1.00 43.45 O ATOM 290 OE2 GLU A 45 23.529 4.937 4.788 1.00 50.96 O ATOM 291 H GLU A 45 18.070 5.861 3.525 1.00 0.00 H ATOM 292 N HIS A 46 20.917 7.640 1.005 1.00 33.59 N ATOM 293 CA HIS A 46 21.473 7.415 -0.322 1.00 34.31 C ATOM 294 C HIS A 46 22.915 7.892 -0.333 1.00 34.88 C ATOM 295 O HIS A 46 23.190 9.050 -0.009 1.00 33.28 O ATOM 296 CB HIS A 46 20.680 8.178 -1.330 1.00 34.69 C ATOM 297 CG HIS A 46 19.296 7.644 -1.493 1.00 36.15 C ATOM 298 ND1 HIS A 46 18.914 6.901 -2.586 1.00 39.42 N ATOM 299 CD2 HIS A 46 18.218 7.695 -0.676 1.00 37.17 C ATOM 300 CE1 HIS A 46 17.640 6.551 -2.455 1.00 38.66 C ATOM 301 NE2 HIS A 46 17.213 6.987 -1.290 1.00 36.29 N ATOM 302 H HIS A 46 21.066 8.565 1.456 1.00 0.00 H ATOM 303 N VAL A 47 23.828 6.988 -0.670 1.00 33.57 N ATOM 304 CA VAL A 47 25.257 7.340 -0.743 1.00 33.87 C ATOM 305 C VAL A 47 25.589 7.649 -2.191 1.00 32.01 C ATOM 306 O VAL A 47 25.466 6.779 -3.066 1.00 32.79 O ATOM 307 CB VAL A 47 26.168 6.246 -0.188 1.00 38.55 C ATOM 308 CG1 VAL A 47 27.630 6.698 -0.212 1.00 39.55 C ATOM 309 CG2 VAL A 47 25.796 5.907 1.252 1.00 40.66 C ATOM 310 H VAL A 47 23.529 6.016 -0.886 1.00 0.00 H ATOM 311 N VAL A 48 26.044 8.857 -2.462 1.00 28.90 N ATOM 312 CA VAL A 48 26.153 9.386 -3.821 1.00 30.07 C ATOM 313 C VAL A 48 27.442 10.182 -3.995 1.00 30.35 C ATOM 314 O VAL A 48 28.047 10.557 -3.001 1.00 29.10 O ATOM 315 CB VAL A 48 24.932 10.310 -4.126 1.00 30.00 C ATOM 316 CG1 VAL A 48 23.623 9.479 -4.126 1.00 30.54 C ATOM 317 CG2 VAL A 48 24.804 11.442 -3.143 1.00 29.32 C ATOM 318 H VAL A 48 26.340 9.463 -1.670 1.00 0.00 H ATOM 319 N PHE A 49 27.859 10.430 -5.244 1.00 30.22 N ATOM 320 CA PHE A 49 28.949 11.336 -5.503 1.00 31.08 C ATOM 321 C PHE A 49 28.678 12.352 -6.577 1.00 30.60 C ATOM 322 O PHE A 49 27.937 12.067 -7.536 1.00 30.08 O ATOM 323 CB PHE A 49 30.252 10.561 -5.755 1.00 37.18 C ATOM 324 CG PHE A 49 30.353 9.881 -7.034 1.00 40.85 C ATOM 325 CD1 PHE A 49 30.785 10.578 -8.177 1.00 46.71 C ATOM 326 CD2 PHE A 49 30.076 8.544 -7.144 1.00 46.40 C ATOM 327 CE1 PHE A 49 30.915 9.942 -9.418 1.00 49.01 C ATOM 328 CE2 PHE A 49 30.223 7.878 -8.381 1.00 50.24 C ATOM 329 CZ PHE A 49 30.641 8.592 -9.516 1.00 51.42 C ATOM 330 H PHE A 49 27.387 9.959 -6.042 1.00 0.00 H ATOM 331 N ASN A 50 29.243 13.539 -6.424 1.00 29.36 N ATOM 332 CA ASN A 50 29.100 14.597 -7.397 1.00 31.19 C ATOM 333 C ASN A 50 30.211 14.579 -8.488 1.00 34.46 C ATOM 334 O ASN A 50 31.147 13.769 -8.419 1.00 34.47 O ATOM 335 CB ASN A 50 28.915 15.947 -6.683 1.00 30.70 C ATOM 336 CG ASN A 50 30.170 16.485 -6.072 1.00 31.14 C ATOM 337 OD1 ASN A 50 31.279 15.982 -6.303 1.00 31.39 O ATOM 338 ND2 ASN A 50 30.016 17.565 -5.349 1.00 29.48 N ATOM 339 HD22 ASN A 50 29.064 17.949 -5.184 1.00 0.00 H ATOM 340 HD21 ASN A 50 30.846 18.040 -4.940 1.00 0.00 H ATOM 341 H ASN A 50 29.811 13.717 -5.571 1.00 0.00 H ATOM 342 N PRO A 51 30.110 15.450 -9.511 1.00 35.22 N ATOM 343 CA PRO A 51 31.122 15.386 -10.569 1.00 39.30 C ATOM 344 C PRO A 51 32.526 15.734 -10.076 1.00 38.90 C ATOM 345 O PRO A 51 33.495 15.368 -10.719 1.00 39.91 O ATOM 346 CB PRO A 51 30.650 16.395 -11.615 1.00 40.62 C ATOM 347 CG PRO A 51 29.142 16.470 -11.421 1.00 38.57 C ATOM 348 CD PRO A 51 28.905 16.202 -9.935 1.00 36.55 C ATOM 349 N ALA A 52 32.627 16.442 -8.950 1.00 36.41 N ATOM 350 CA ALA A 52 33.891 16.770 -8.326 1.00 37.01 C ATOM 351 C ALA A 52 34.401 15.625 -7.419 1.00 36.90 C ATOM 352 O ALA A 52 35.387 15.802 -6.687 1.00 36.39 O ATOM 353 CB ALA A 52 33.748 18.055 -7.544 1.00 37.46 C ATOM 354 H ALA A 52 31.752 16.776 -8.497 1.00 0.00 H ATOM 355 N GLY A 53 33.711 14.487 -7.436 1.00 34.58 N ATOM 356 CA GLY A 53 34.111 13.290 -6.754 1.00 35.93 C ATOM 357 C GLY A 53 33.826 13.268 -5.268 1.00 34.82 C ATOM 358 O GLY A 53 34.244 12.314 -4.582 1.00 35.83 O ATOM 359 H GLY A 53 32.824 14.464 -7.979 1.00 0.00 H ATOM 360 N MET A 54 33.138 14.268 -4.742 1.00 33.88 N ATOM 361 CA MET A 54 32.835 14.339 -3.313 1.00 34.31 C ATOM 362 C MET A 54 31.739 13.323 -3.042 1.00 34.26 C ATOM 363 O MET A 54 30.732 13.296 -3.778 1.00 31.83 O ATOM 364 CB MET A 54 32.330 15.728 -2.934 1.00 35.42 C ATOM 365 CG MET A 54 33.284 16.861 -3.209 1.00 39.37 C ATOM 366 SD MET A 54 32.517 18.393 -2.678 1.00 45.22 S ATOM 367 CE MET A 54 32.043 19.280 -4.167 1.00 39.80 C ATOM 368 H MET A 54 32.801 15.029 -5.366 1.00 0.00 H ATOM 369 N ILE A 55 31.921 12.513 -1.997 1.00 33.54 N ATOM 370 CA ILE A 55 30.926 11.497 -1.624 1.00 34.32 C ATOM 371 C ILE A 55 30.041 12.089 -0.543 1.00 31.59 C ATOM 372 O ILE A 55 30.536 12.794 0.369 1.00 31.91 O ATOM 373 CB ILE A 55 31.584 10.216 -1.092 1.00 37.08 C ATOM 374 CG1 ILE A 55 30.532 9.174 -0.807 1.00 38.05 C ATOM 375 CG2 ILE A 55 32.292 10.435 0.269 1.00 40.60 C ATOM 376 CD1 ILE A 55 31.047 7.874 -0.271 1.00 42.56 C ATOM 377 H ILE A 55 32.789 12.603 -1.432 1.00 0.00 H ATOM 378 N PHE A 56 28.731 11.845 -0.646 1.00 29.85 N ATOM 379 CA PHE A 56 27.787 12.358 0.355 1.00 28.86 C ATOM 380 C PHE A 56 26.895 11.234 0.793 1.00 28.49 C ATOM 381 O PHE A 56 26.416 10.440 -0.023 1.00 28.80 O ATOM 382 CB PHE A 56 26.920 13.444 -0.216 1.00 28.08 C ATOM 383 CG PHE A 56 27.650 14.642 -0.758 1.00 28.40 C ATOM 384 CD1 PHE A 56 28.011 15.673 0.044 1.00 29.08 C ATOM 385 CD2 PHE A 56 27.917 14.748 -2.117 1.00 29.53 C ATOM 386 CE1 PHE A 56 28.635 16.813 -0.476 1.00 29.61 C ATOM 387 CE2 PHE A 56 28.538 15.885 -2.638 1.00 30.54 C ATOM 388 CZ PHE A 56 28.901 16.910 -1.812 1.00 30.22 C ATOM 389 H PHE A 56 28.375 11.284 -1.446 1.00 0.00 H ATOM 390 N ARG A 57 26.657 11.209 2.117 1.00 27.79 N ATOM 391 CA ARG A 57 25.647 10.350 2.677 1.00 28.17 C ATOM 392 C ARG A 57 24.436 11.270 2.845 1.00 26.30 C ATOM 393 O ARG A 57 24.442 12.152 3.737 1.00 27.58 O ATOM 394 CB ARG A 57 26.152 9.815 4.005 1.00 30.70 C ATOM 395 H ARG A 57 27.213 11.822 2.747 1.00 0.00 H ATOM 396 N VAL A 58 23.442 11.087 1.989 1.00 26.67 N ATOM 397 CA VAL A 58 22.322 12.011 1.841 1.00 25.85 C ATOM 398 C VAL A 58 21.134 11.327 2.532 1.00 27.13 C ATOM 399 O VAL A 58 20.862 10.149 2.276 1.00 28.36 O ATOM 400 CB VAL A 58 22.009 12.296 0.387 1.00 26.01 C ATOM 401 CG1 VAL A 58 20.672 13.016 0.236 1.00 25.99 C ATOM 402 CG2 VAL A 58 23.103 13.148 -0.250 1.00 27.25 C ATOM 403 H VAL A 58 23.461 10.238 1.389 1.00 0.00 H ATOM 404 N TRP A 59 20.483 12.070 3.443 1.00 25.66 N ATOM 405 CA TRP A 59 19.244 11.615 4.048 1.00 26.20 C ATOM 406 C TRP A 59 18.128 12.426 3.400 1.00 25.48 C ATOM 407 O TRP A 59 18.198 13.671 3.314 1.00 23.49 O ATOM 408 CB TRP A 59 19.261 11.779 5.566 1.00 28.15 C ATOM 409 CG TRP A 59 20.014 10.628 6.256 1.00 32.29 C ATOM 410 CD1 TRP A 59 20.965 9.814 5.688 1.00 35.95 C ATOM 411 CD2 TRP A 59 19.874 10.191 7.595 1.00 36.18 C ATOM 412 NE1 TRP A 59 21.409 8.884 6.600 1.00 38.28 N ATOM 413 CE2 TRP A 59 20.746 9.087 7.774 1.00 38.50 C ATOM 414 CE3 TRP A 59 19.072 10.594 8.655 1.00 38.92 C ATOM 415 CZ2 TRP A 59 20.859 8.404 8.991 1.00 40.80 C ATOM 416 CZ3 TRP A 59 19.139 9.901 9.849 1.00 41.18 C ATOM 417 CH2 TRP A 59 20.050 8.815 10.012 1.00 43.10 C ATOM 418 HE1 TRP A 59 22.127 8.152 6.424 1.00 0.00 H ATOM 419 H TRP A 59 20.876 12.992 3.721 1.00 0.00 H ATOM 420 N CYS A 60 17.087 11.717 2.971 1.00 25.79 N ATOM 421 CA CYS A 60 15.927 12.331 2.332 1.00 25.07 C ATOM 422 C CYS A 60 14.878 12.644 3.360 1.00 24.83 C ATOM 423 O CYS A 60 14.541 11.810 4.197 1.00 26.19 O ATOM 424 CB CYS A 60 15.373 11.410 1.270 1.00 27.21 C ATOM 425 SG CYS A 60 16.575 11.007 -0.024 1.00 31.13 S ATOM 426 H CYS A 60 17.100 10.685 3.096 1.00 0.00 H ATOM 427 N PHE A 61 14.349 13.862 3.280 1.00 23.95 N ATOM 428 CA PHE A 61 13.317 14.399 4.190 1.00 23.96 C ATOM 429 C PHE A 61 12.180 14.956 3.343 1.00 23.32 C ATOM 430 O PHE A 61 12.403 15.559 2.235 1.00 23.43 O ATOM 431 CB PHE A 61 13.924 15.534 4.981 1.00 23.18 C ATOM 432 CG PHE A 61 14.934 15.099 5.982 1.00 23.61 C ATOM 433 CD1 PHE A 61 14.565 14.795 7.298 1.00 23.96 C ATOM 434 CD2 PHE A 61 16.288 15.089 5.671 1.00 24.62 C ATOM 435 CE1 PHE A 61 15.486 14.465 8.232 1.00 25.81 C ATOM 436 CE2 PHE A 61 17.246 14.755 6.626 1.00 24.39 C ATOM 437 CZ PHE A 61 16.848 14.447 7.922 1.00 25.25 C ATOM 438 H PHE A 61 14.688 14.484 2.518 1.00 0.00 H ATOM 439 N SER A 62 10.930 14.740 3.786 1.00 24.39 N ATOM 440 CA SER A 62 9.819 15.307 3.062 1.00 25.64 C ATOM 441 C SER A 62 9.766 16.841 3.143 1.00 25.97 C ATOM 442 O SER A 62 9.207 17.490 2.257 1.00 27.18 O ATOM 443 CB SER A 62 8.535 14.684 3.569 1.00 27.48 C ATOM 444 OG SER A 62 8.543 13.294 3.246 1.00 27.84 O ATOM 445 HG SER A 62 7.707 12.876 3.573 1.00 0.00 H ATOM 446 H SER A 62 10.766 14.171 4.641 1.00 0.00 H ATOM 447 N LEU A 63 10.255 17.387 4.244 1.00 25.03 N ATOM 448 CA LEU A 63 10.117 18.770 4.612 1.00 26.39 C ATOM 449 C LEU A 63 11.401 19.180 5.316 1.00 25.89 C ATOM 450 O LEU A 63 12.028 18.380 6.008 1.00 25.91 O ATOM 451 CB LEU A 63 8.966 18.899 5.624 1.00 30.22 C ATOM 452 CG LEU A 63 8.411 20.197 6.069 1.00 33.77 C ATOM 453 CD1 LEU A 63 8.111 20.985 4.838 1.00 36.28 C ATOM 454 CD2 LEU A 63 7.134 19.856 6.845 1.00 37.04 C ATOM 455 H LEU A 63 10.780 16.768 4.894 1.00 0.00 H ATOM 456 N ALA A 64 11.690 20.454 5.236 1.00 26.07 N ATOM 457 CA ALA A 64 12.773 21.091 5.949 1.00 26.89 C ATOM 458 C ALA A 64 12.442 22.541 6.036 1.00 27.77 C ATOM 459 O ALA A 64 11.585 23.048 5.304 1.00 30.20 O ATOM 460 CB ALA A 64 14.125 20.905 5.288 1.00 26.63 C ATOM 461 H ALA A 64 11.101 21.047 4.618 1.00 0.00 H ATOM 462 N GLN A 65 13.126 23.221 6.946 1.00 25.95 N ATOM 463 CA GLN A 65 12.942 24.622 7.192 1.00 26.78 C ATOM 464 C GLN A 65 14.295 25.238 7.443 1.00 25.70 C ATOM 465 O GLN A 65 15.273 24.516 7.593 1.00 23.62 O ATOM 466 CB GLN A 65 12.043 24.805 8.436 1.00 31.69 C ATOM 467 CG GLN A 65 12.599 24.219 9.714 1.00 33.63 C ATOM 468 CD GLN A 65 11.644 24.277 10.888 1.00 39.42 C ATOM 469 OE1 GLN A 65 11.585 25.251 11.611 1.00 43.89 O ATOM 470 NE2 GLN A 65 10.928 23.227 11.090 1.00 43.05 N ATOM 471 HE22 GLN A 65 11.007 22.412 10.448 1.00 0.00 H ATOM 472 HE21 GLN A 65 10.270 23.193 11.895 1.00 0.00 H ATOM 473 H GLN A 65 13.834 22.711 7.512 1.00 0.00 H ATOM 474 N GLY A 66 14.354 26.549 7.532 1.00 26.57 N ATOM 475 CA GLY A 66 15.553 27.259 7.933 1.00 27.50 C ATOM 476 C GLY A 66 16.653 27.292 6.883 1.00 27.45 C ATOM 477 O GLY A 66 17.802 27.636 7.193 1.00 27.40 O ATOM 478 H GLY A 66 13.502 27.101 7.305 1.00 0.00 H ATOM 479 N LEU A 67 16.342 26.891 5.672 1.00 26.84 N ATOM 480 CA LEU A 67 17.296 26.867 4.559 1.00 27.48 C ATOM 481 C LEU A 67 17.067 28.067 3.684 1.00 29.32 C ATOM 482 O LEU A 67 16.078 28.778 3.841 1.00 30.23 O ATOM 483 CB LEU A 67 17.098 25.600 3.696 1.00 26.71 C ATOM 484 CG LEU A 67 17.347 24.291 4.425 1.00 25.67 C ATOM 485 CD1 LEU A 67 16.697 23.130 3.716 1.00 24.92 C ATOM 486 CD2 LEU A 67 18.838 24.033 4.737 1.00 26.00 C ATOM 487 H LEU A 67 15.368 26.574 5.493 1.00 0.00 H ATOM 488 N ARG A 68 17.990 28.278 2.769 1.00 27.54 N ATOM 489 CA ARG A 68 17.862 29.242 1.702 1.00 31.47 C ATOM 490 C ARG A 68 18.224 28.497 0.432 1.00 30.48 C ATOM 491 O ARG A 68 19.330 27.943 0.325 1.00 26.95 O ATOM 492 CB ARG A 68 18.810 30.399 1.922 1.00 35.28 C ATOM 493 CG ARG A 68 18.693 31.485 0.870 1.00 43.70 C ATOM 494 CD ARG A 68 19.280 32.815 1.375 1.00 47.26 C ATOM 495 NE ARG A 68 20.668 32.981 0.943 1.00 50.98 N ATOM 496 CZ ARG A 68 21.769 32.645 1.613 1.00 53.20 C ATOM 497 NH1 ARG A 68 22.959 32.885 1.034 1.00 55.37 N ATOM 498 NH2 ARG A 68 21.735 32.115 2.850 1.00 57.69 N ATOM 499 HE ARG A 68 20.811 33.410 0.007 1.00 0.00 H ATOM 500 HH12 ARG A 68 23.838 32.635 1.530 1.00 0.00 H ATOM 501 HH11 ARG A 68 23.000 33.321 0.091 1.00 0.00 H ATOM 502 HH22 ARG A 68 22.622 31.868 3.334 1.00 0.00 H ATOM 503 HH21 ARG A 68 20.822 31.952 3.321 1.00 0.00 H ATOM 504 H ARG A 68 18.864 27.716 2.818 1.00 0.00 H ATOM 505 N LEU A 69 17.274 28.466 -0.511 1.00 30.03 N ATOM 506 CA LEU A 69 17.440 27.731 -1.767 1.00 33.55 C ATOM 507 C LEU A 69 17.991 28.704 -2.788 1.00 36.34 C ATOM 508 O LEU A 69 17.454 29.788 -2.961 1.00 40.16 O ATOM 509 CB LEU A 69 16.088 27.148 -2.201 1.00 34.67 C ATOM 510 CG LEU A 69 15.427 26.224 -1.203 1.00 37.19 C ATOM 511 CD1 LEU A 69 14.160 25.526 -1.733 1.00 39.06 C ATOM 512 CD2 LEU A 69 16.406 25.198 -0.646 1.00 35.10 C ATOM 513 H LEU A 69 16.386 28.982 -0.346 1.00 0.00 H ATOM 514 N ILE A 70 19.082 28.361 -3.442 1.00 35.72 N ATOM 515 CA ILE A 70 19.851 29.275 -4.251 1.00 40.35 C ATOM 516 C ILE A 70 19.751 28.907 -5.719 1.00 42.68 C ATOM 517 O ILE A 70 19.917 27.746 -6.059 1.00 40.10 O ATOM 518 CB ILE A 70 21.314 29.071 -3.930 1.00 42.66 C ATOM 519 CG1 ILE A 70 21.581 29.220 -2.426 1.00 44.27 C ATOM 520 CG2 ILE A 70 22.184 30.019 -4.726 1.00 45.17 C ATOM 521 CD1 ILE A 70 21.219 30.599 -1.905 1.00 45.48 C ATOM 522 H ILE A 70 19.407 27.376 -3.371 1.00 0.00 H ATOM 523 N GLY A 71 19.431 29.897 -6.542 1.00 45.11 N ATOM 524 CA GLY A 71 19.390 29.687 -7.989 1.00 48.31 C ATOM 525 C GLY A 71 18.129 29.016 -8.485 1.00 47.25 C ATOM 526 O GLY A 71 17.171 28.817 -7.735 1.00 48.73 O ATOM 527 H GLY A 71 19.206 30.835 -6.153 1.00 0.00 H ATOM 528 N ALA A 72 18.137 28.699 -9.771 1.00 47.94 N ATOM 529 CA ALA A 72 17.031 28.038 -10.438 1.00 45.96 C ATOM 530 C ALA A 72 17.346 26.532 -10.498 1.00 41.48 C ATOM 531 O ALA A 72 18.519 26.135 -10.476 1.00 41.26 O ATOM 532 CB ALA A 72 16.858 28.596 -11.834 1.00 48.66 C ATOM 533 H ALA A 72 18.980 28.936 -10.332 1.00 0.00 H ATOM 534 N PRO A 73 16.302 25.698 -10.576 1.00 36.97 N ATOM 535 CA PRO A 73 16.550 24.264 -10.557 1.00 34.13 C ATOM 536 C PRO A 73 17.329 23.762 -11.746 1.00 34.35 C ATOM 537 O PRO A 73 17.238 24.335 -12.831 1.00 36.89 O ATOM 538 CB PRO A 73 15.142 23.655 -10.517 1.00 33.74 C ATOM 539 CG PRO A 73 14.273 24.736 -9.975 1.00 34.79 C ATOM 540 CD PRO A 73 14.852 25.992 -10.463 1.00 36.62 C ATOM 541 N SER A 74 18.089 22.695 -11.559 1.00 30.59 N ATOM 542 CA SER A 74 18.802 22.037 -12.639 1.00 30.77 C ATOM 543 C SER A 74 18.571 20.538 -12.574 1.00 30.08 C ATOM 544 O SER A 74 18.555 19.971 -11.487 1.00 28.68 O ATOM 545 CB SER A 74 20.302 22.290 -12.510 1.00 33.25 C ATOM 546 OG SER A 74 20.952 21.585 -13.606 1.00 34.39 O ATOM 547 HG SER A 74 21.930 21.727 -13.554 1.00 0.00 H ATOM 548 H SER A 74 18.179 22.311 -10.597 1.00 0.00 H ATOM 549 N GLY A 75 18.369 19.887 -13.699 1.00 29.36 N ATOM 550 CA GLY A 75 18.325 18.424 -13.802 1.00 30.59 C ATOM 551 C GLY A 75 19.663 17.746 -13.990 1.00 31.37 C ATOM 552 O GLY A 75 19.763 16.545 -13.838 1.00 30.02 O ATOM 553 H GLY A 75 18.232 20.443 -14.567 1.00 0.00 H ATOM 554 N GLU A 76 20.694 18.518 -14.292 1.00 33.04 N ATOM 555 CA GLU A 76 22.057 17.961 -14.537 1.00 37.39 C ATOM 556 C GLU A 76 22.565 17.131 -13.367 1.00 34.78 C ATOM 557 O GLU A 76 22.558 17.571 -12.249 1.00 33.38 O ATOM 558 CB GLU A 76 23.085 19.077 -14.753 1.00 42.44 C ATOM 559 CG GLU A 76 22.832 19.942 -15.950 1.00 48.59 C ATOM 560 CD GLU A 76 24.109 20.582 -16.514 1.00 56.03 C ATOM 561 OE1 GLU A 76 24.153 20.818 -17.752 1.00 66.29 O ATOM 562 OE2 GLU A 76 25.062 20.833 -15.732 1.00 58.96 O ATOM 563 H GLU A 76 20.550 19.546 -14.361 1.00 0.00 H ATOM 564 N PHE A 77 22.975 15.910 -13.667 1.00 35.25 N ATOM 565 CA PHE A 77 23.607 14.983 -12.711 1.00 34.92 C ATOM 566 C PHE A 77 22.700 14.619 -11.534 1.00 31.36 C ATOM 567 O PHE A 77 23.196 14.111 -10.557 1.00 30.22 O ATOM 568 CB PHE A 77 24.910 15.548 -12.128 1.00 35.34 C ATOM 569 CG PHE A 77 25.819 16.202 -13.129 1.00 39.71 C ATOM 570 CD1 PHE A 77 26.487 15.461 -14.019 1.00 42.97 C ATOM 571 CD2 PHE A 77 26.014 17.581 -13.124 1.00 40.66 C ATOM 572 CE1 PHE A 77 27.382 16.030 -14.930 1.00 45.99 C ATOM 573 CE2 PHE A 77 26.860 18.186 -14.026 1.00 43.25 C ATOM 574 CZ PHE A 77 27.569 17.404 -14.921 1.00 45.15 C ATOM 575 H PHE A 77 22.842 15.581 -14.645 1.00 0.00 H ATOM 576 N SER A 78 21.379 14.825 -11.620 1.00 29.45 N ATOM 577 CA SER A 78 20.528 14.549 -10.534 1.00 27.95 C ATOM 578 C SER A 78 20.639 13.113 -10.103 1.00 28.11 C ATOM 579 O SER A 78 20.526 12.209 -10.909 1.00 28.26 O ATOM 580 CB SER A 78 19.047 14.855 -10.852 1.00 28.84 C ATOM 581 OG SER A 78 18.267 14.576 -9.698 1.00 27.40 O ATOM 582 HG SER A 78 17.315 14.769 -9.890 1.00 0.00 H ATOM 583 H SER A 78 20.976 15.195 -12.504 1.00 0.00 H ATOM 584 N TRP A 79 20.802 12.917 -8.812 1.00 27.53 N ATOM 585 CA TRP A 79 20.833 11.576 -8.214 1.00 27.93 C ATOM 586 C TRP A 79 19.461 10.909 -8.111 1.00 30.04 C ATOM 587 O TRP A 79 19.389 9.712 -7.786 1.00 31.18 O ATOM 588 CB TRP A 79 21.424 11.652 -6.818 1.00 28.09 C ATOM 589 CG TRP A 79 22.844 12.104 -6.795 1.00 27.08 C ATOM 590 CD1 TRP A 79 23.888 11.644 -7.563 1.00 30.54 C ATOM 591 CD2 TRP A 79 23.377 13.110 -5.934 1.00 27.04 C ATOM 592 NE1 TRP A 79 25.051 12.329 -7.221 1.00 29.53 N ATOM 593 CE2 TRP A 79 24.770 13.202 -6.198 1.00 27.81 C ATOM 594 CE3 TRP A 79 22.835 13.923 -4.954 1.00 26.08 C ATOM 595 CZ2 TRP A 79 25.575 14.093 -5.541 1.00 27.85 C ATOM 596 CZ3 TRP A 79 23.651 14.815 -4.286 1.00 26.16 C ATOM 597 CH2 TRP A 79 25.017 14.885 -4.578 1.00 27.69 C ATOM 598 HE1 TRP A 79 25.981 12.201 -7.668 1.00 0.00 H ATOM 599 H TRP A 79 20.913 13.744 -8.191 1.00 0.00 H ATOM 600 N PHE A 80 18.393 11.648 -8.370 1.00 27.55 N ATOM 601 CA PHE A 80 17.035 11.149 -8.194 1.00 29.14 C ATOM 602 C PHE A 80 16.289 11.380 -9.475 1.00 29.45 C ATOM 603 O PHE A 80 16.028 12.513 -9.864 1.00 27.56 O ATOM 604 CB PHE A 80 16.363 11.848 -6.998 1.00 28.69 C ATOM 605 CG PHE A 80 17.065 11.613 -5.719 1.00 29.33 C ATOM 606 CD1 PHE A 80 16.874 10.427 -5.028 1.00 31.57 C ATOM 607 CD2 PHE A 80 17.933 12.547 -5.211 1.00 27.58 C ATOM 608 CE1 PHE A 80 17.487 10.234 -3.789 1.00 31.63 C ATOM 609 CE2 PHE A 80 18.599 12.328 -3.999 1.00 29.16 C ATOM 610 CZ PHE A 80 18.367 11.154 -3.293 1.00 28.52 C ATOM 611 H PHE A 80 18.528 12.621 -8.712 1.00 0.00 H ATOM 612 N LYS A 81 15.963 10.268 -10.144 1.00 30.94 N ATOM 613 CA LYS A 81 15.402 10.345 -11.499 1.00 32.91 C ATOM 614 C LYS A 81 14.117 11.123 -11.480 1.00 30.94 C ATOM 615 O LYS A 81 13.247 10.905 -10.616 1.00 31.95 O ATOM 616 CB LYS A 81 15.178 8.925 -12.038 1.00 36.77 C ATOM 617 CG LYS A 81 14.620 8.862 -13.456 1.00 42.35 C ATOM 618 CD LYS A 81 14.600 7.405 -13.921 1.00 46.10 C ATOM 619 CE LYS A 81 13.859 7.214 -15.214 1.00 48.12 C ATOM 620 NZ LYS A 81 13.532 5.762 -15.399 1.00 51.32 N ATOM 621 HZ1 LYS A 81 14.413 5.210 -15.421 1.00 0.00 H ATOM 622 HZ2 LYS A 81 12.938 5.438 -14.609 1.00 0.00 H ATOM 623 HZ3 LYS A 81 13.019 5.635 -16.295 1.00 0.00 H ATOM 624 H LYS A 81 16.108 9.339 -9.700 1.00 0.00 H ATOM 625 N GLY A 82 14.006 12.065 -12.405 1.00 31.57 N ATOM 626 CA GLY A 82 12.787 12.874 -12.582 1.00 30.33 C ATOM 627 C GLY A 82 12.788 14.152 -11.761 1.00 29.35 C ATOM 628 O GLY A 82 11.867 14.945 -11.892 1.00 28.48 O ATOM 629 H GLY A 82 14.815 12.241 -13.034 1.00 0.00 H ATOM 630 N TYR A 83 13.831 14.399 -10.952 1.00 26.33 N ATOM 631 CA TYR A 83 13.905 15.585 -10.107 1.00 24.68 C ATOM 632 C TYR A 83 14.996 16.520 -10.531 1.00 25.67 C ATOM 633 O TYR A 83 16.080 16.087 -10.967 1.00 26.20 O ATOM 634 CB TYR A 83 14.107 15.203 -8.667 1.00 24.12 C ATOM 635 CG TYR A 83 13.001 14.399 -8.065 1.00 23.96 C ATOM 636 CD1 TYR A 83 11.927 14.996 -7.452 1.00 24.53 C ATOM 637 CD2 TYR A 83 13.079 13.015 -8.040 1.00 25.00 C ATOM 638 CE1 TYR A 83 10.926 14.242 -6.846 1.00 24.95 C ATOM 639 CE2 TYR A 83 12.078 12.235 -7.437 1.00 25.72 C ATOM 640 CZ TYR A 83 10.972 12.869 -6.913 1.00 26.46 C ATOM 641 OH TYR A 83 10.003 12.128 -6.308 1.00 28.21 O ATOM 642 HH TYR A 83 9.283 12.727 -5.988 1.00 0.00 H ATOM 643 H TYR A 83 14.617 13.718 -10.927 1.00 0.00 H ATOM 644 N ASP A 84 14.698 17.804 -10.347 1.00 25.67 N ATOM 645 CA ASP A 84 15.610 18.910 -10.586 1.00 26.79 C ATOM 646 C ASP A 84 16.054 19.348 -9.187 1.00 26.14 C ATOM 647 O ASP A 84 15.297 19.231 -8.218 1.00 25.93 O ATOM 648 CB ASP A 84 14.901 20.054 -11.307 1.00 29.18 C ATOM 649 CG ASP A 84 14.288 19.620 -12.624 1.00 32.73 C ATOM 650 OD1 ASP A 84 15.004 19.003 -13.440 1.00 33.62 O ATOM 651 OD2 ASP A 84 13.090 19.897 -12.844 1.00 37.46 O ATOM 652 H ASP A 84 13.742 18.033 -10.007 1.00 0.00 H ATOM 653 N TRP A 85 17.266 19.871 -9.071 1.00 24.46 N ATOM 654 CA TRP A 85 17.787 20.242 -7.758 1.00 24.80 C ATOM 655 C TRP A 85 18.171 21.715 -7.717 1.00 26.07 C ATOM 656 O TRP A 85 18.525 22.368 -8.754 1.00 25.71 O ATOM 657 CB TRP A 85 19.002 19.391 -7.349 1.00 25.83 C ATOM 658 CG TRP A 85 20.123 19.349 -8.352 1.00 26.48 C ATOM 659 CD1 TRP A 85 20.325 18.402 -9.314 1.00 27.61 C ATOM 660 CD2 TRP A 85 21.179 20.311 -8.520 1.00 28.36 C ATOM 661 NE1 TRP A 85 21.409 18.733 -10.076 1.00 29.83 N ATOM 662 CE2 TRP A 85 21.924 19.923 -9.655 1.00 29.74 C ATOM 663 CE3 TRP A 85 21.515 21.530 -7.877 1.00 29.47 C ATOM 664 CZ2 TRP A 85 23.023 20.644 -10.117 1.00 31.95 C ATOM 665 CZ3 TRP A 85 22.621 22.240 -8.323 1.00 31.67 C ATOM 666 CH2 TRP A 85 23.388 21.773 -9.424 1.00 32.92 C ATOM 667 HE1 TRP A 85 21.785 18.163 -10.860 1.00 0.00 H ATOM 668 H TRP A 85 17.849 20.018 -9.919 1.00 0.00 H ATOM 669 N THR A 86 18.105 22.235 -6.486 1.00 26.35 N ATOM 670 CA THR A 86 18.629 23.564 -6.153 1.00 26.72 C ATOM 671 C THR A 86 19.450 23.383 -4.894 1.00 25.60 C ATOM 672 O THR A 86 19.100 22.590 -4.033 1.00 25.09 O ATOM 673 CB THR A 86 17.554 24.638 -5.880 1.00 26.88 C ATOM 674 OG1 THR A 86 16.604 24.204 -4.889 1.00 25.53 O ATOM 675 CG2 THR A 86 16.868 25.087 -7.167 1.00 27.53 C ATOM 676 HG1 THR A 86 15.933 24.917 -4.742 1.00 0.00 H ATOM 677 H THR A 86 17.663 21.672 -5.732 1.00 0.00 H ATOM 678 N ILE A 87 20.554 24.095 -4.821 1.00 26.14 N ATOM 679 CA ILE A 87 21.405 24.056 -3.630 1.00 25.63 C ATOM 680 C ILE A 87 20.627 24.640 -2.457 1.00 25.49 C ATOM 681 O ILE A 87 19.992 25.732 -2.567 1.00 26.56 O ATOM 682 CB ILE A 87 22.688 24.858 -3.880 1.00 28.17 C ATOM 683 CG1 ILE A 87 23.550 24.061 -4.884 1.00 29.60 C ATOM 684 CG2 ILE A 87 23.432 25.133 -2.571 1.00 28.77 C ATOM 685 CD1 ILE A 87 24.624 24.961 -5.450 1.00 34.60 C ATOM 686 H ILE A 87 20.827 24.697 -5.624 1.00 0.00 H ATOM 687 N ALA A 88 20.732 23.962 -1.306 1.00 23.36 N ATOM 688 CA ALA A 88 20.127 24.374 -0.080 1.00 22.94 C ATOM 689 C ALA A 88 21.255 24.749 0.894 1.00 22.56 C ATOM 690 O ALA A 88 22.039 23.887 1.318 1.00 23.56 O ATOM 691 CB ALA A 88 19.293 23.235 0.473 1.00 22.06 C ATOM 692 H ALA A 88 21.288 23.083 -1.306 1.00 0.00 H ATOM 693 N LEU A 89 21.322 26.039 1.229 1.00 23.86 N ATOM 694 CA LEU A 89 22.211 26.501 2.312 1.00 23.47 C ATOM 695 C LEU A 89 21.438 26.679 3.607 1.00 23.42 C ATOM 696 O LEU A 89 20.221 26.955 3.610 1.00 24.42 O ATOM 697 CB LEU A 89 22.823 27.821 1.912 1.00 24.04 C ATOM 698 CG LEU A 89 23.502 27.879 0.560 1.00 25.60 C ATOM 699 CD1 LEU A 89 24.032 29.317 0.390 1.00 28.16 C ATOM 700 CD2 LEU A 89 24.562 26.764 0.440 1.00 24.41 C ATOM 701 H LEU A 89 20.737 26.731 0.718 1.00 0.00 H ATOM 702 N CYS A 90 22.149 26.538 4.704 1.00 22.17 N ATOM 703 CA CYS A 90 21.612 27.009 5.985 1.00 23.58 C ATOM 704 C CYS A 90 21.274 28.458 5.842 1.00 23.46 C ATOM 705 O CYS A 90 22.101 29.269 5.431 1.00 23.60 O ATOM 706 CB CYS A 90 22.629 26.866 7.080 1.00 23.89 C ATOM 707 SG CYS A 90 22.077 27.464 8.704 1.00 23.54 S ATOM 708 H CYS A 90 23.089 26.094 4.664 1.00 0.00 H ATOM 709 N GLY A 91 20.017 28.815 6.162 1.00 23.58 N ATOM 710 CA GLY A 91 19.588 30.215 6.015 1.00 24.64 C ATOM 711 C GLY A 91 20.228 31.159 6.994 1.00 25.94 C ATOM 712 O GLY A 91 20.201 32.375 6.778 1.00 27.47 O ATOM 713 H GLY A 91 19.348 28.101 6.514 1.00 0.00 H ATOM 714 N GLN A 92 20.796 30.619 8.063 1.00 24.91 N ATOM 715 CA GLN A 92 21.417 31.406 9.093 1.00 25.95 C ATOM 716 C GLN A 92 22.889 31.677 8.766 1.00 25.76 C ATOM 717 O GLN A 92 23.327 32.821 8.719 1.00 26.42 O ATOM 718 CB GLN A 92 21.233 30.719 10.427 1.00 25.93 C ATOM 719 CG GLN A 92 21.731 31.505 11.613 1.00 27.96 C ATOM 720 CD GLN A 92 21.063 31.084 12.909 1.00 28.43 C ATOM 721 OE1 GLN A 92 20.105 31.760 13.327 1.00 30.19 O ATOM 722 NE2 GLN A 92 21.480 29.963 13.499 1.00 26.27 N ATOM 723 HE22 GLN A 92 22.287 29.438 13.106 1.00 0.00 H ATOM 724 HE21 GLN A 92 20.998 29.614 14.352 1.00 0.00 H ATOM 725 H GLN A 92 20.792 29.584 8.160 1.00 0.00 H ATOM 726 N CYS A 93 23.643 30.603 8.551 1.00 25.15 N ATOM 727 CA CYS A 93 25.105 30.700 8.439 1.00 26.52 C ATOM 728 C CYS A 93 25.683 30.466 7.056 1.00 26.64 C ATOM 729 O CYS A 93 26.877 30.717 6.869 1.00 26.87 O ATOM 730 CB CYS A 93 25.807 29.779 9.433 1.00 25.92 C ATOM 731 SG CYS A 93 25.886 27.991 8.979 1.00 24.77 S ATOM 732 H CYS A 93 23.187 29.673 8.460 1.00 0.00 H ATOM 733 N GLY A 94 24.840 30.012 6.109 1.00 26.18 N ATOM 734 CA GLY A 94 25.309 29.745 4.777 1.00 26.04 C ATOM 735 C GLY A 94 26.004 28.406 4.511 1.00 24.79 C ATOM 736 O GLY A 94 26.391 28.139 3.363 1.00 26.63 O ATOM 737 H GLY A 94 23.839 29.853 6.344 1.00 0.00 H ATOM 738 N SER A 95 26.120 27.530 5.495 1.00 23.87 N ATOM 739 CA SER A 95 26.671 26.185 5.341 1.00 24.94 C ATOM 740 C SER A 95 25.879 25.417 4.284 1.00 23.58 C ATOM 741 O SER A 95 24.641 25.486 4.239 1.00 21.60 O ATOM 742 CB SER A 95 26.681 25.407 6.661 1.00 26.16 C ATOM 743 OG SER A 95 27.112 24.046 6.498 1.00 27.31 O ATOM 744 HG SER A 95 28.031 24.034 6.131 1.00 0.00 H ATOM 745 H SER A 95 25.798 27.817 6.441 1.00 0.00 H ATOM 746 N HIS A 96 26.588 24.709 3.377 1.00 24.41 N ATOM 747 CA HIS A 96 25.880 23.937 2.375 1.00 23.13 C ATOM 748 C HIS A 96 25.343 22.667 2.986 1.00 23.19 C ATOM 749 O HIS A 96 26.110 21.768 3.301 1.00 24.26 O ATOM 750 CB HIS A 96 26.787 23.649 1.177 1.00 25.95 C ATOM 751 CG HIS A 96 26.135 22.759 0.186 1.00 24.99 C ATOM 752 ND1 HIS A 96 26.857 21.932 -0.645 1.00 26.38 N ATOM 753 CD2 HIS A 96 24.826 22.573 -0.130 1.00 23.89 C ATOM 754 CE1 HIS A 96 26.023 21.274 -1.419 1.00 25.71 C ATOM 755 NE2 HIS A 96 24.786 21.626 -1.118 1.00 24.36 N ATOM 756 H HIS A 96 27.628 24.718 3.398 1.00 0.00 H ATOM 757 N LEU A 97 24.021 22.593 3.170 1.00 21.32 N ATOM 758 CA LEU A 97 23.394 21.483 3.860 1.00 21.18 C ATOM 759 C LEU A 97 22.856 20.364 2.983 1.00 20.99 C ATOM 760 O LEU A 97 22.702 19.237 3.449 1.00 21.56 O ATOM 761 CB LEU A 97 22.328 21.970 4.816 1.00 22.52 C ATOM 762 CG LEU A 97 22.857 22.859 5.965 1.00 23.76 C ATOM 763 CD1 LEU A 97 21.768 23.124 6.966 1.00 24.42 C ATOM 764 CD2 LEU A 97 24.034 22.259 6.699 1.00 23.88 C ATOM 765 H LEU A 97 23.421 23.360 2.805 1.00 0.00 H ATOM 766 N GLY A 98 22.617 20.662 1.712 1.00 22.02 N ATOM 767 CA GLY A 98 22.143 19.697 0.792 1.00 22.18 C ATOM 768 C GLY A 98 21.473 20.336 -0.403 1.00 22.36 C ATOM 769 O GLY A 98 21.961 21.369 -0.929 1.00 21.80 O ATOM 770 H GLY A 98 22.783 21.634 1.382 1.00 0.00 H ATOM 771 N TRP A 99 20.363 19.755 -0.819 1.00 22.07 N ATOM 772 CA TRP A 99 19.650 20.167 -2.035 1.00 21.61 C ATOM 773 C TRP A 99 18.141 20.015 -1.810 1.00 22.11 C ATOM 774 O TRP A 99 17.709 19.139 -1.081 1.00 21.85 O ATOM 775 CB TRP A 99 20.081 19.303 -3.233 1.00 22.22 C ATOM 776 CG TRP A 99 21.569 19.327 -3.485 1.00 22.12 C ATOM 777 CD1 TRP A 99 22.226 20.172 -4.327 1.00 23.93 C ATOM 778 CD2 TRP A 99 22.583 18.551 -2.833 1.00 22.40 C ATOM 779 NE1 TRP A 99 23.582 19.952 -4.242 1.00 23.67 N ATOM 780 CE2 TRP A 99 23.820 18.949 -3.354 1.00 23.75 C ATOM 781 CE3 TRP A 99 22.553 17.518 -1.892 1.00 22.21 C ATOM 782 CZ2 TRP A 99 25.023 18.372 -2.946 1.00 24.18 C ATOM 783 CZ3 TRP A 99 23.758 16.958 -1.456 1.00 23.72 C ATOM 784 CH2 TRP A 99 24.976 17.412 -1.962 1.00 24.55 C ATOM 785 HE1 TRP A 99 24.310 20.471 -4.773 1.00 0.00 H ATOM 786 H TRP A 99 19.975 18.969 -0.259 1.00 0.00 H ATOM 787 N HIS A 100 17.379 20.882 -2.484 1.00 23.13 N ATOM 788 CA HIS A 100 15.952 20.710 -2.588 1.00 22.77 C ATOM 789 C HIS A 100 15.679 20.159 -3.976 1.00 22.84 C ATOM 790 O HIS A 100 16.243 20.657 -4.961 1.00 24.23 O ATOM 791 CB HIS A 100 15.209 22.028 -2.435 1.00 24.93 C ATOM 792 CG HIS A 100 13.717 21.868 -2.404 1.00 25.99 C ATOM 793 ND1 HIS A 100 12.891 22.513 -3.303 1.00 31.07 N ATOM 794 CD2 HIS A 100 12.918 21.116 -1.618 1.00 27.99 C ATOM 795 CE1 HIS A 100 11.629 22.193 -3.028 1.00 28.68 C ATOM 796 NE2 HIS A 100 11.617 21.357 -2.008 1.00 28.10 N ATOM 797 H HIS A 100 17.827 21.700 -2.944 1.00 0.00 H ATOM 798 N TYR A 101 14.815 19.167 -4.036 1.00 22.76 N ATOM 799 CA TYR A 101 14.498 18.476 -5.295 1.00 21.65 C ATOM 800 C TYR A 101 13.049 18.803 -5.618 1.00 23.59 C ATOM 801 O TYR A 101 12.226 18.857 -4.742 1.00 22.78 O ATOM 802 CB TYR A 101 14.677 16.961 -5.135 1.00 20.61 C ATOM 803 CG TYR A 101 16.138 16.597 -5.101 1.00 20.99 C ATOM 804 CD1 TYR A 101 16.825 16.407 -6.263 1.00 22.01 C ATOM 805 CD2 TYR A 101 16.812 16.522 -3.898 1.00 22.09 C ATOM 806 CE1 TYR A 101 18.212 16.075 -6.224 1.00 23.16 C ATOM 807 CE2 TYR A 101 18.162 16.222 -3.844 1.00 22.03 C ATOM 808 CZ TYR A 101 18.849 16.002 -5.025 1.00 22.76 C ATOM 809 OH TYR A 101 20.218 15.699 -5.002 1.00 23.91 O ATOM 810 HH TYR A 101 20.543 15.574 -5.929 1.00 0.00 H ATOM 811 H TYR A 101 14.340 18.862 -3.163 1.00 0.00 H ATOM 812 N GLU A 102 12.765 19.051 -6.884 1.00 25.03 N ATOM 813 CA GLU A 102 11.427 19.413 -7.317 1.00 25.88 C ATOM 814 C GLU A 102 11.207 18.905 -8.733 1.00 26.21 C ATOM 815 O GLU A 102 12.153 18.436 -9.379 1.00 27.32 O ATOM 816 CB GLU A 102 11.205 20.903 -7.269 1.00 31.02 C ATOM 817 CG GLU A 102 12.060 21.769 -8.169 1.00 36.54 C ATOM 818 CD GLU A 102 11.859 23.215 -7.715 1.00 44.65 C ATOM 819 OE1 GLU A 102 10.858 23.853 -8.121 1.00 51.09 O ATOM 820 OE2 GLU A 102 12.652 23.690 -6.886 1.00 47.80 O ATOM 821 H GLU A 102 13.523 18.985 -7.593 1.00 0.00 H ATOM 822 N GLY A 103 9.949 18.955 -9.174 1.00 25.52 N ATOM 823 CA GLY A 103 9.657 18.610 -10.561 1.00 26.41 C ATOM 824 C GLY A 103 9.391 17.143 -10.857 1.00 26.33 C ATOM 825 O GLY A 103 9.164 16.787 -12.006 1.00 27.00 O ATOM 826 H GLY A 103 9.181 19.238 -8.533 1.00 0.00 H ATOM 827 N GLY A 104 9.359 16.304 -9.814 1.00 24.70 N ATOM 828 CA GLY A 104 9.233 14.869 -9.974 1.00 25.49 C ATOM 829 C GLY A 104 7.829 14.431 -9.638 1.00 27.42 C ATOM 830 O GLY A 104 6.880 15.262 -9.700 1.00 28.34 O ATOM 831 H GLY A 104 9.427 16.697 -8.853 1.00 0.00 H ATOM 832 N SER A 105 7.680 13.153 -9.199 1.00 28.69 N ATOM 833 CA SER A 105 6.345 12.584 -8.929 1.00 30.95 C ATOM 834 C SER A 105 6.417 11.688 -7.686 1.00 33.29 C ATOM 835 O SER A 105 7.398 10.942 -7.522 1.00 30.73 O ATOM 836 CB SER A 105 5.941 11.738 -10.109 1.00 33.57 C ATOM 837 OG SER A 105 6.062 12.473 -11.296 1.00 33.21 O ATOM 838 HG SER A 105 7.002 12.761 -11.410 1.00 0.00 H ATOM 839 H SER A 105 8.524 12.564 -9.050 1.00 0.00 H ATOM 840 N GLN A 106 5.434 11.811 -6.803 1.00 33.17 N ATOM 841 CA GLN A 106 5.275 10.940 -5.636 1.00 35.63 C ATOM 842 C GLN A 106 6.579 10.776 -4.819 1.00 33.87 C ATOM 843 O GLN A 106 7.096 9.687 -4.715 1.00 34.04 O ATOM 844 CB GLN A 106 4.709 9.576 -6.084 1.00 40.72 C ATOM 845 CG GLN A 106 4.137 8.757 -4.941 1.00 44.79 C ATOM 846 CD GLN A 106 3.086 7.733 -5.327 1.00 47.94 C ATOM 847 OE1 GLN A 106 2.691 7.574 -6.478 1.00 51.84 O ATOM 848 NE2 GLN A 106 2.598 7.047 -4.320 1.00 52.80 N ATOM 849 HE22 GLN A 106 2.958 7.209 -3.358 1.00 0.00 H ATOM 850 HE21 GLN A 106 1.852 6.342 -4.484 1.00 0.00 H ATOM 851 H GLN A 106 4.737 12.569 -6.948 1.00 0.00 H ATOM 852 N PRO A 107 7.101 11.846 -4.214 1.00 31.09 N ATOM 853 CA PRO A 107 6.491 13.147 -4.124 1.00 30.95 C ATOM 854 C PRO A 107 6.964 14.090 -5.214 1.00 29.18 C ATOM 855 O PRO A 107 7.984 13.837 -5.817 1.00 27.65 O ATOM 856 CB PRO A 107 6.968 13.623 -2.755 1.00 33.48 C ATOM 857 CG PRO A 107 8.334 13.070 -2.659 1.00 32.23 C ATOM 858 CD PRO A 107 8.246 11.735 -3.311 1.00 35.04 C ATOM 859 N GLN A 108 6.261 15.207 -5.381 1.00 26.89 N ATOM 860 CA GLN A 108 6.742 16.207 -6.345 1.00 27.93 C ATOM 861 C GLN A 108 8.073 16.829 -5.889 1.00 26.33 C ATOM 862 O GLN A 108 8.883 17.165 -6.717 1.00 23.83 O ATOM 863 CB GLN A 108 5.729 17.295 -6.549 1.00 29.25 C ATOM 864 CG GLN A 108 4.519 16.807 -7.324 1.00 30.88 C ATOM 865 CD GLN A 108 3.474 17.920 -7.448 1.00 33.77 C ATOM 866 OE1 GLN A 108 3.158 18.605 -6.487 1.00 36.79 O ATOM 867 NE2 GLN A 108 3.002 18.144 -8.633 1.00 35.78 N ATOM 868 HE22 GLN A 108 3.291 17.542 -9.430 1.00 0.00 H ATOM 869 HE21 GLN A 108 2.334 18.926 -8.787 1.00 0.00 H ATOM 870 H GLN A 108 5.388 15.370 -4.840 1.00 0.00 H ATOM 871 N THR A 109 8.238 17.035 -4.587 1.00 25.79 N ATOM 872 CA THR A 109 9.403 17.662 -3.998 1.00 25.94 C ATOM 873 C THR A 109 9.881 16.971 -2.726 1.00 26.31 C ATOM 874 O THR A 109 9.112 16.267 -2.074 1.00 28.08 O ATOM 875 CB THR A 109 9.118 19.141 -3.539 1.00 28.50 C ATOM 876 OG1 THR A 109 8.211 19.129 -2.414 1.00 29.49 O ATOM 877 CG2 THR A 109 8.490 19.931 -4.625 1.00 30.26 C ATOM 878 HG1 THR A 109 7.362 18.696 -2.681 1.00 0.00 H ATOM 879 H THR A 109 7.479 16.725 -3.947 1.00 0.00 H ATOM 880 N PHE A 110 11.165 17.123 -2.424 1.00 23.34 N ATOM 881 CA PHE A 110 11.720 16.658 -1.139 1.00 23.18 C ATOM 882 C PHE A 110 13.100 17.301 -0.978 1.00 22.85 C ATOM 883 O PHE A 110 13.606 17.991 -1.891 1.00 22.57 O ATOM 884 CB PHE A 110 11.834 15.109 -1.111 1.00 24.18 C ATOM 885 CG PHE A 110 12.837 14.529 -2.037 1.00 23.72 C ATOM 886 CD1 PHE A 110 12.523 14.305 -3.373 1.00 24.36 C ATOM 887 CD2 PHE A 110 14.147 14.233 -1.620 1.00 24.42 C ATOM 888 CE1 PHE A 110 13.453 13.771 -4.265 1.00 25.43 C ATOM 889 CE2 PHE A 110 15.070 13.689 -2.519 1.00 24.56 C ATOM 890 CZ PHE A 110 14.726 13.492 -3.837 1.00 25.22 C ATOM 891 H PHE A 110 11.796 17.582 -3.112 1.00 0.00 H ATOM 892 N PHE A 111 13.672 17.087 0.210 1.00 21.28 N ATOM 893 CA PHE A 111 15.039 17.575 0.500 1.00 21.34 C ATOM 894 C PHE A 111 15.990 16.421 0.642 1.00 22.21 C ATOM 895 O PHE A 111 15.682 15.407 1.276 1.00 21.30 O ATOM 896 CB PHE A 111 15.052 18.394 1.779 1.00 22.40 C ATOM 897 CG PHE A 111 14.294 19.699 1.699 1.00 22.67 C ATOM 898 CD1 PHE A 111 12.936 19.719 1.892 1.00 25.00 C ATOM 899 CD2 PHE A 111 14.939 20.877 1.421 1.00 26.19 C ATOM 900 CE1 PHE A 111 12.210 20.887 1.828 1.00 27.31 C ATOM 901 CE2 PHE A 111 14.235 22.061 1.363 1.00 27.19 C ATOM 902 CZ PHE A 111 12.860 22.067 1.579 1.00 27.89 C ATOM 903 H PHE A 111 13.148 16.569 0.944 1.00 0.00 H ATOM 904 N GLY A 112 17.203 16.561 0.044 1.00 20.53 N ATOM 905 CA GLY A 112 18.256 15.606 0.300 1.00 21.98 C ATOM 906 C GLY A 112 19.348 16.337 1.071 1.00 22.61 C ATOM 907 O GLY A 112 19.976 17.259 0.513 1.00 22.64 O ATOM 908 H GLY A 112 17.373 17.359 -0.601 1.00 0.00 H ATOM 909 N LEU A 113 19.507 16.008 2.365 1.00 21.80 N ATOM 910 CA LEU A 113 20.406 16.739 3.222 1.00 21.65 C ATOM 911 C LEU A 113 21.606 15.883 3.605 1.00 22.06 C ATOM 912 O LEU A 113 21.503 14.654 3.763 1.00 21.91 O ATOM 913 CB LEU A 113 19.707 17.224 4.481 1.00 21.72 C ATOM 914 CG LEU A 113 18.486 18.145 4.201 1.00 21.61 C ATOM 915 CD1 LEU A 113 17.866 18.582 5.522 1.00 23.79 C ATOM 916 CD2 LEU A 113 18.854 19.362 3.334 1.00 21.30 C ATOM 917 H LEU A 113 18.969 15.208 2.756 1.00 0.00 H ATOM 918 N ILE A 114 22.734 16.526 3.759 1.00 21.93 N ATOM 919 CA ILE A 114 23.997 15.809 4.050 1.00 21.41 C ATOM 920 C ILE A 114 24.089 15.471 5.523 1.00 21.77 C ATOM 921 O ILE A 114 24.176 16.353 6.362 1.00 22.39 O ATOM 922 CB ILE A 114 25.199 16.630 3.572 1.00 21.64 C ATOM 923 CG1 ILE A 114 25.092 16.971 2.056 1.00 21.47 C ATOM 924 CG2 ILE A 114 26.523 15.885 3.876 1.00 22.32 C ATOM 925 CD1 ILE A 114 25.906 18.183 1.716 1.00 23.40 C ATOM 926 H ILE A 114 22.745 17.563 3.675 1.00 0.00 H ATOM 927 N LYS A 115 24.024 14.189 5.856 1.00 23.22 N ATOM 928 CA LYS A 115 23.847 13.763 7.255 1.00 26.04 C ATOM 929 C LYS A 115 24.881 14.336 8.173 1.00 25.77 C ATOM 930 O LYS A 115 24.560 14.818 9.269 1.00 27.17 O ATOM 931 CB LYS A 115 23.787 12.229 7.379 1.00 29.30 C ATOM 932 CG LYS A 115 23.741 11.654 8.790 1.00 34.46 C ATOM 933 CD LYS A 115 22.508 12.120 9.553 1.00 38.26 C ATOM 934 CE LYS A 115 22.285 11.340 10.848 1.00 43.51 C ATOM 935 NZ LYS A 115 23.184 11.551 12.044 1.00 43.92 N ATOM 936 HZ1 LYS A 115 24.164 11.319 11.785 1.00 0.00 H ATOM 937 HZ2 LYS A 115 23.130 12.545 12.345 1.00 0.00 H ATOM 938 HZ3 LYS A 115 22.874 10.934 12.822 1.00 0.00 H ATOM 939 H LYS A 115 24.100 13.467 5.111 1.00 0.00 H ATOM 940 N ASP A 116 26.140 14.317 7.758 1.00 24.91 N ATOM 941 CA ASP A 116 27.221 14.773 8.643 1.00 27.07 C ATOM 942 C ASP A 116 27.288 16.271 8.832 1.00 26.61 C ATOM 943 O ASP A 116 28.122 16.750 9.599 1.00 28.68 O ATOM 944 CB ASP A 116 28.605 14.202 8.238 1.00 30.46 C ATOM 945 CG ASP A 116 28.952 14.425 6.784 1.00 33.42 C ATOM 946 OD1 ASP A 116 28.231 13.890 5.935 1.00 38.11 O ATOM 947 OD2 ASP A 116 30.040 14.930 6.515 1.00 39.27 O ATOM 948 H ASP A 116 26.364 13.977 6.801 1.00 0.00 H ATOM 949 N ARG A 117 26.463 17.016 8.105 1.00 23.24 N ATOM 950 CA ARG A 117 26.384 18.461 8.230 1.00 24.80 C ATOM 951 C ARG A 117 25.243 18.913 9.161 1.00 22.79 C ATOM 952 O ARG A 117 25.021 20.118 9.364 1.00 21.94 O ATOM 953 CB ARG A 117 26.251 19.104 6.865 1.00 25.75 C ATOM 954 CG ARG A 117 27.533 18.818 6.086 1.00 28.15 C ATOM 955 CD ARG A 117 27.681 19.581 4.811 1.00 28.89 C ATOM 956 NE ARG A 117 28.792 19.058 4.019 1.00 30.57 N ATOM 957 CZ ARG A 117 29.215 19.590 2.870 1.00 34.68 C ATOM 958 NH1 ARG A 117 28.610 20.675 2.336 1.00 33.46 N ATOM 959 NH2 ARG A 117 30.276 19.038 2.225 1.00 34.96 N ATOM 960 HE ARG A 117 29.286 18.215 4.374 1.00 0.00 H ATOM 961 HH12 ARG A 117 28.955 21.074 1.440 1.00 0.00 H ATOM 962 HH11 ARG A 117 27.800 21.110 2.821 1.00 0.00 H ATOM 963 HH22 ARG A 117 30.611 19.448 1.329 1.00 0.00 H ATOM 964 HH21 ARG A 117 30.753 18.206 2.627 1.00 0.00 H ATOM 965 H ARG A 117 25.845 16.543 7.415 1.00 0.00 H ATOM 966 N LEU A 118 24.532 17.941 9.704 1.00 22.85 N ATOM 967 CA LEU A 118 23.433 18.190 10.636 1.00 23.44 C ATOM 968 C LEU A 118 23.804 17.623 11.996 1.00 23.18 C ATOM 969 O LEU A 118 24.595 16.674 12.106 1.00 25.03 O ATOM 970 CB LEU A 118 22.175 17.532 10.138 1.00 23.36 C ATOM 971 CG LEU A 118 21.656 17.886 8.738 1.00 24.88 C ATOM 972 CD1 LEU A 118 20.462 17.010 8.379 1.00 26.11 C ATOM 973 CD2 LEU A 118 21.235 19.349 8.738 1.00 24.17 C ATOM 974 H LEU A 118 24.764 16.957 9.458 1.00 0.00 H ATOM 975 N ALA A 119 23.270 18.229 13.039 1.00 24.03 N ATOM 976 CA ALA A 119 23.341 17.663 14.408 1.00 24.21 C ATOM 977 C ALA A 119 21.955 17.256 14.884 1.00 25.07 C ATOM 978 O ALA A 119 21.014 18.035 14.779 1.00 26.09 O ATOM 979 CB ALA A 119 23.932 18.664 15.348 1.00 24.78 C ATOM 980 H ALA A 119 22.782 19.136 12.896 1.00 0.00 H ATOM 981 N GLU A 120 21.822 16.024 15.367 1.00 25.81 N ATOM 982 CA GLU A 120 20.545 15.491 15.800 1.00 26.93 C ATOM 983 C GLU A 120 20.400 15.569 17.318 1.00 26.88 C ATOM 984 O GLU A 120 21.329 15.266 18.053 1.00 24.83 O ATOM 985 CB GLU A 120 20.431 14.035 15.362 1.00 30.30 C ATOM 986 CG GLU A 120 19.034 13.458 15.564 1.00 34.15 C ATOM 987 CD GLU A 120 18.890 12.051 14.912 1.00 38.57 C ATOM 988 OE1 GLU A 120 19.909 11.487 14.412 1.00 40.93 O ATOM 989 OE2 GLU A 120 17.741 11.563 14.856 1.00 39.66 O ATOM 990 H GLU A 120 22.666 15.420 15.437 1.00 0.00 H ATOM 991 N GLY A 121 19.243 15.970 17.789 1.00 26.77 N ATOM 992 CA GLY A 121 19.043 16.117 19.224 1.00 28.40 C ATOM 993 C GLY A 121 17.600 16.275 19.654 1.00 29.88 C ATOM 994 O GLY A 121 16.681 16.132 18.847 1.00 30.06 O ATOM 995 H GLY A 121 18.464 16.184 17.134 1.00 0.00 H ATOM 996 N PRO A 122 17.404 16.561 20.949 1.00 32.68 N ATOM 997 CA PRO A 122 16.047 16.677 21.483 1.00 35.50 C ATOM 998 C PRO A 122 15.280 17.860 20.971 1.00 37.84 C ATOM 999 O PRO A 122 15.866 18.880 20.606 1.00 39.22 O ATOM 1000 CB PRO A 122 16.271 16.811 23.000 1.00 36.69 C ATOM 1001 CG PRO A 122 17.669 17.297 23.153 1.00 35.50 C ATOM 1002 CD PRO A 122 18.426 16.852 21.955 1.00 32.84 C ATOM 1003 N ALA A 123 13.953 17.731 20.980 1.00 42.81 N ATOM 1004 CA ALA A 123 13.070 18.791 20.528 1.00 48.63 C ATOM 1005 C ALA A 123 13.129 20.066 21.401 1.00 54.62 C ATOM 1006 O ALA A 123 13.273 19.991 22.600 1.00 58.60 O ATOM 1007 CB ALA A 123 11.633 18.272 20.432 1.00 50.92 C ATOM 1008 H ALA A 123 13.537 16.842 21.322 1.00 0.00 H ATOM 1009 N ASP A 124 13.062 21.219 20.729 1.00 62.06 N ATOM 1010 CA ASP A 124 12.808 22.536 21.340 1.00 65.41 C ATOM 1011 C ASP A 124 11.318 22.685 21.754 1.00 67.97 C ATOM 1012 O ASP A 124 10.840 22.242 22.809 1.00 68.75 O ATOM 1013 CB ASP A 124 13.255 23.705 20.389 1.00 65.72 C ATOM 1014 CG ASP A 124 12.567 23.696 18.967 1.00 69.37 C ATOM 1015 OD1 ASP A 124 11.685 22.826 18.695 1.00 68.50 O ATOM 1016 OD2 ASP A 124 12.940 24.568 18.106 1.00 67.13 O ATOM 1017 OXT ASP A 124 10.505 23.257 21.033 1.00 71.37 O ATOM 1018 H ASP A 124 13.199 21.185 19.699 1.00 0.00 H TER 1019 ASP A 124 HETATM 1020 ZN ZN A 1 24.041 27.018 9.907 1.00 24.67 ZN HETATM 1021 O HOH 2 11.852 21.556 -12.084 1.00 40.29 O HETATM 1022 O HOH 3 13.839 24.285 -5.109 1.00 44.70 O HETATM 1023 O HOH 4 9.763 22.943 -10.089 1.00 48.00 O HETATM 1024 O HOH 5 31.551 16.180 8.028 1.00 32.43 O HETATM 1025 O HOH 6 28.659 12.885 3.693 1.00 28.48 O HETATM 1026 O HOH 7 31.696 26.895 11.478 1.00 47.01 O HETATM 1027 O HOH 8 14.787 22.312 -6.956 1.00 46.35 O HETATM 1028 O HOH 9 29.648 24.262 6.383 1.00 38.95 O HETATM 1029 O HOH 10 27.891 20.338 -4.030 1.00 51.28 O HETATM 1030 O HOH 11 23.602 14.085 11.988 1.00 42.19 O HETATM 1031 O HOH 12 20.217 12.577 18.475 1.00 41.67 O HETATM 1032 O HOH 13 8.086 15.671 0.243 1.00 34.41 O HETATM 1033 O HOH 14 31.982 17.072 2.541 1.00 44.00 O HETATM 1034 O HOH 15 21.228 25.773 -7.190 1.00 31.93 O HETATM 1035 O HOH 16 23.390 22.575 -13.439 1.00 43.32 O HETATM 1036 O HOH 17 30.525 16.504 4.454 1.00 39.00 O HETATM 1037 O HOH 18 14.916 18.280 -15.987 1.00 34.74 O HETATM 1038 O HOH 19 29.690 22.906 15.577 1.00 31.50 O HETATM 1039 O HOH 20 8.206 11.438 5.117 1.00 31.36 O HETATM 1040 O HOH 21 32.163 20.681 10.467 1.00 45.64 O HETATM 1041 O HOH 22 29.013 30.213 5.308 1.00 48.10 O HETATM 1042 O HOH 23 16.238 21.664 20.123 1.00 35.49 O HETATM 1043 O HOH 24 28.362 32.553 8.210 1.00 41.50 O HETATM 1044 O HOH 25 22.626 3.216 2.889 1.00 57.10 O HETATM 1045 O HOH 26 16.093 12.455 -14.101 1.00 53.59 O HETATM 1046 O HOH 27 20.396 24.474 -9.403 1.00 32.12 O HETATM 1047 O HOH 28 8.681 12.282 -12.032 1.00 48.37 O HETATM 1048 O HOH 29 12.580 9.028 -8.753 1.00 46.80 O HETATM 1049 O HOH 30 16.490 7.785 -9.122 1.00 48.73 O HETATM 1050 O HOH 31 25.794 12.367 12.176 1.00 30.47 O HETATM 1051 O HOH 32 29.354 20.973 8.544 1.00 44.12 O HETATM 1052 O HOH 33 30.712 14.765 2.275 1.00 52.75 O HETATM 1053 O HOH 34 23.465 11.923 14.753 1.00 39.74 O HETATM 1054 O HOH 35 31.733 23.601 13.880 1.00 40.60 O HETATM 1055 O HOH 36 3.713 15.300 -4.338 1.00 48.04 O HETATM 1056 O HOH 37 29.359 24.689 3.382 1.00 35.02 O HETATM 1057 O HOH 38 6.335 17.942 -10.186 1.00 26.06 O HETATM 1058 O HOH 39 26.828 22.242 8.594 1.00 28.93 O HETATM 1059 O HOH 40 30.851 20.165 14.849 1.00 39.71 O HETATM 1060 O HOH 41 10.582 15.316 -14.334 1.00 29.63 O HETATM 1061 O HOH 42 25.526 21.287 -5.749 1.00 49.36 O HETATM 1062 O HOH 43 4.279 19.287 -3.992 1.00 46.24 O HETATM 1063 O HOH 44 7.447 20.060 -8.469 1.00 34.19 O HETATM 1064 O HOH 45 34.795 11.101 -2.080 1.00 37.17 O HETATM 1065 O HOH 46 10.976 13.970 14.842 1.00 33.01 O HETATM 1066 O HOH 47 19.011 7.931 -9.969 1.00 64.10 O HETATM 1067 O HOH 48 16.579 15.168 -13.642 1.00 40.81 O HETATM 1068 O HOH 49 14.292 16.173 -13.998 1.00 45.42 O HETATM 1069 O HOH 50 2.520 17.657 -3.689 1.00 52.52 O HETATM 1070 O HOH 51 21.126 8.785 13.718 1.00 48.66 O HETATM 1071 O HOH 52 5.807 17.246 -2.611 1.00 42.16 O HETATM 1072 O HOH 53 10.102 11.507 -10.174 1.00 33.27 O HETATM 1073 O HOH 54 30.868 19.065 8.856 1.00 42.19 O HETATM 1074 O HOH 55 9.948 24.603 14.304 1.00 53.76 O HETATM 1075 O HOH 56 13.112 28.786 10.150 1.00 46.86 O HETATM 1076 O HOH 57 -0.105 18.689 -6.678 1.00 44.01 O HETATM 1077 O HOH 58 14.450 9.599 20.772 1.00 57.95 O HETATM 1078 O HOH 59 19.128 6.019 12.655 1.00 62.21 O HETATM 1079 O HOH 60 13.562 30.157 12.387 1.00 60.59 O HETATM 1080 O HOH 61 8.617 8.327 12.495 1.00 60.23 O HETATM 1081 O HOH 62 29.006 28.291 9.108 1.00 38.21 O HETATM 1082 O HOH 63 12.620 6.395 6.520 1.00 59.14 O HETATM 1083 O HOH 64 6.491 9.818 3.986 1.00 47.62 O HETATM 1084 O HOH 65 30.473 26.948 7.376 1.00 49.33 O HETATM 1085 O HOH 66 14.573 5.834 -9.611 1.00 66.22 O HETATM 1086 O HOH 67 28.509 26.953 -0.700 1.00 59.85 O HETATM 1087 O HOH 68 31.528 30.404 7.918 1.00 57.85 O HETATM 1088 O HOH 69 32.111 27.736 0.298 1.00 67.14 O HETATM 1089 C4 JOB A 70 25.044 15.920 -8.012 1.00 0.24 C HETATM 1090 N1 JOB A 70 23.750 15.534 -8.229 1.00 -0.20 N HETATM 1091 C1 JOB A 70 22.830 16.351 -7.617 1.00 0.21 C HETATM 1092 C2 JOB A 70 23.554 17.538 -7.047 1.00 0.09 C HETATM 1093 C3 JOB A 70 25.034 17.132 -7.106 1.00 0.18 C HETATM 1094 N2 JOB A 70 25.892 18.186 -7.608 1.00 -0.16 N HETATM 1095 C5 JOB A 70 25.811 18.714 -8.898 1.00 0.24 C HETATM 1096 C6 JOB A 70 26.911 19.702 -8.998 1.00 0.06 C HETATM 1097 C7 JOB A 70 27.562 19.751 -7.780 1.00 0.06 C HETATM 1098 C8 JOB A 70 26.902 18.796 -6.859 1.00 0.23 C HETATM 1099 O4 JOB A 70 27.138 18.550 -5.700 1.00 -0.37 O HETATM 1100 C12 JOB A 70 28.640 20.593 -7.579 1.00 -0.05 C HETATM 1101 C11 JOB A 70 29.048 21.389 -8.638 1.00 -0.03 C HETATM 1102 C10 JOB A 70 28.390 21.343 -9.874 1.00 0.05 C HETATM 1103 C9 JOB A 70 27.297 20.480 -10.061 1.00 -0.02 C HETATM 1104 H2 JOB A 70 26.777 20.430 -11.011 1.00 0.06 H HETATM 1105 N3 JOB A 70 28.816 22.147 -10.918 1.00 -0.33 N HETATM 1106 H6 JOB A 70 29.617 22.781 -10.786 1.00 0.17 H HETATM 1107 H7 JOB A 70 28.332 22.111 -11.826 1.00 0.17 H HETATM 1108 H1 JOB A 70 29.890 22.058 -8.508 1.00 0.06 H HETATM 1109 H3 JOB A 70 29.150 20.630 -6.623 1.00 0.06 H HETATM 1110 O3 JOB A 70 24.986 18.388 -9.720 1.00 -0.37 O HETATM 1111 H5 JOB A 70 25.383 16.854 -6.101 1.00 0.09 H HETATM 1112 H8 JOB A 70 23.370 18.437 -7.654 1.00 0.06 H HETATM 1113 H9 JOB A 70 23.241 17.726 -6.009 1.00 0.06 H HETATM 1114 O2 JOB A 70 21.634 16.119 -7.564 1.00 -0.39 O HETATM 1115 H4 JOB A 70 23.498 14.737 -8.778 1.00 0.23 H HETATM 1116 O1 JOB A 70 26.033 15.379 -8.470 1.00 -0.38 O CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 78 77 1020 CONECT 114 113 1020 CONECT 707 706 1020 CONECT 731 730 1020 CONECT 1020 78 114 707 731 CONECT 1089 1090 1093 1116 CONECT 1090 1089 1091 1115 CONECT 1091 1090 1092 1114 CONECT 1092 1091 1093 1112 1113 CONECT 1093 1089 1092 1094 1111 CONECT 1094 1093 1095 1098 CONECT 1095 1094 1096 1110 CONECT 1096 1095 1097 1103 CONECT 1097 1096 1098 1100 CONECT 1098 1094 1097 1099 CONECT 1099 1098 CONECT 1100 1097 1101 1109 CONECT 1101 1100 1102 1108 CONECT 1102 1101 1103 1105 CONECT 1103 1096 1102 1104 CONECT 1104 1103 CONECT 1105 1102 1106 1107 CONECT 1106 1105 CONECT 1107 1105 CONECT 1108 1101 CONECT 1109 1100 CONECT 1110 1095 CONECT 1111 1093 CONECT 1112 1092 CONECT 1113 1092 CONECT 1114 1091 CONECT 1115 1090 CONECT 1116 1089 MASTER 0 0 0 0 0 0 0 0 1115 1 37 9 END
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Related entries of code: 6r11
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Protein Sequence Similarity
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RCSB PDB
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RCSB PDB
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6r1d
RCSB PDB
PDBbind
125aa, >6R1D_1|Chains... at 100%
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RCSB PDB
PDBbind
125aa, >6R1C_1|Chains... at 100%
6r1a
RCSB PDB
PDBbind
125aa, >6R1A_1|Chains... at 100%
6r18
RCSB PDB
PDBbind
125aa, >6R18_1|Chains... at 100%
6r13
RCSB PDB
PDBbind
125aa, >6R13_1|Chains... at 100%
6r12
RCSB PDB
PDBbind
125aa, >6R12_1|Chains... at 100%
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RCSB PDB
PDBbind
125aa, >6R0S_1|Chains... at 100%
6r0u
RCSB PDB
PDBbind
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6r11
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cereblon isoform 4
Ligand Name
JOB
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Ki=12uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 6615-6629
Ligand Properties
Formula
C
1
2
H
9
N
3
O
4
Molecular Weight
259.218
Exact Mass
259.059
No. of atoms
28
No. of bonds
30
Polar Surface Area
109.57
LOGP Value
-0.91 (
Computed with XLOGP3
)
0.13 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
O=C1NC(=O)[C@H](C1)N1C(=O)c2c(C1=O)cc(cc2)N
InChI String
InChI=1S/C12H9N3O4/c13-5-1-2-6-7(3-5)12(19)15(11(6)18)8-4-9(16)14-10(8)17/h1-3,8H,4,13H2,(H,14,16,17)/t8-/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):
A4TVL0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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