Browse entries in the PDBbind-CN Database
HEADER 6R1D_COMPLEX COMPND 6R1D_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 106 ALA SER ILE PHE ARG CYS ARG GLN CYS GLY GLN THR ILE SEQRES 2 A 106 SER ARG ARG ASP TRP LEU LEU PRO MET GLY GLY ASP HIS SEQRES 3 A 106 GLU HIS VAL VAL PHE ASN PRO ALA GLY MET ILE PHE ARG SEQRES 4 A 106 VAL TRP CYS PHE SER LEU ALA GLN GLY LEU ARG LEU ILE SEQRES 5 A 106 GLY ALA PRO SER GLY GLU PHE SER TRP PHE LYS GLY TYR SEQRES 6 A 106 ASP TRP THR ILE ALA LEU CYS GLY GLN CYS GLY SER HIS SEQRES 7 A 106 LEU GLY TRP HIS TYR GLU GLY GLY SER GLN PRO GLN THR SEQRES 8 A 106 PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA GLU GLY PRO SEQRES 9 A 106 ALA ASP HET ZN A 1 1 HET JP A 5 30 ATOM 1 N ALA A 19 25.361 -10.948 25.529 1.00 43.57 N ATOM 2 CA ALA A 19 24.220 -10.310 24.777 1.00 32.48 C ATOM 3 C ALA A 19 24.624 -8.967 24.029 1.00 26.78 C ATOM 4 O ALA A 19 25.265 -8.084 24.611 1.00 31.38 O ATOM 5 CB ALA A 19 23.119 -10.003 25.759 1.00 32.76 C ATOM 6 HN3 ALA A 19 25.714 -10.285 26.248 1.00 0.00 H ATOM 7 HN2 ALA A 19 26.126 -11.180 24.864 1.00 0.00 H ATOM 8 HN1 ALA A 19 25.027 -11.817 25.992 1.00 0.00 H ATOM 9 N SER A 20 24.346 -8.900 22.769 1.00 22.25 N ATOM 10 CA SER A 20 24.711 -7.702 21.967 1.00 15.30 C ATOM 11 C SER A 20 23.583 -6.720 21.978 1.00 12.65 C ATOM 12 O SER A 20 22.404 -7.102 21.769 1.00 13.22 O ATOM 13 CB SER A 20 25.065 -8.118 20.666 1.00 18.61 C ATOM 14 OG SER A 20 25.716 -7.139 20.032 1.00 20.09 O ATOM 15 HG SER A 20 26.537 -6.911 20.535 1.00 0.00 H ATOM 16 H SER A 20 23.860 -9.696 22.309 1.00 0.00 H ATOM 17 N ILE A 21 23.911 -5.462 22.237 1.00 11.88 N ATOM 18 CA ILE A 21 22.966 -4.374 22.479 1.00 11.17 C ATOM 19 C ILE A 21 23.116 -3.325 21.434 1.00 10.83 C ATOM 20 O ILE A 21 24.206 -3.016 20.980 1.00 13.68 O ATOM 21 CB ILE A 21 23.273 -3.725 23.898 1.00 12.84 C ATOM 22 CG1 ILE A 21 23.339 -4.842 24.981 1.00 14.77 C ATOM 23 CG2 ILE A 21 22.340 -2.602 24.180 1.00 14.16 C ATOM 24 CD1 ILE A 21 22.051 -5.574 25.193 1.00 15.96 C ATOM 25 H ILE A 21 24.924 -5.230 22.271 1.00 0.00 H ATOM 26 N PHE A 22 21.980 -2.775 21.012 1.00 9.90 N ATOM 27 CA PHE A 22 21.957 -1.661 20.068 1.00 10.36 C ATOM 28 C PHE A 22 21.601 -0.355 20.809 1.00 10.52 C ATOM 29 O PHE A 22 20.615 -0.322 21.518 1.00 11.58 O ATOM 30 CB PHE A 22 20.906 -1.879 18.956 1.00 10.82 C ATOM 31 CG PHE A 22 21.316 -2.980 18.027 1.00 11.04 C ATOM 32 CD1 PHE A 22 21.059 -4.260 18.257 1.00 11.43 C ATOM 33 CD2 PHE A 22 21.962 -2.687 16.886 1.00 14.51 C ATOM 34 CE1 PHE A 22 21.472 -5.244 17.399 1.00 13.41 C ATOM 35 CE2 PHE A 22 22.381 -3.657 16.040 1.00 16.10 C ATOM 36 CZ PHE A 22 22.100 -4.937 16.294 1.00 15.12 C ATOM 37 H PHE A 22 21.078 -3.151 21.367 1.00 0.00 H ATOM 38 N ARG A 23 22.437 0.640 20.606 1.00 11.30 N ATOM 39 CA ARG A 23 22.277 1.965 21.219 1.00 11.98 C ATOM 40 C ARG A 23 22.138 3.006 20.090 1.00 11.74 C ATOM 41 O ARG A 23 22.610 2.807 19.002 1.00 13.11 O ATOM 42 CB ARG A 23 23.534 2.256 22.075 1.00 13.24 C ATOM 43 CG ARG A 23 23.668 1.369 23.263 1.00 14.26 C ATOM 44 CD ARG A 23 24.929 1.641 24.045 1.00 15.55 C ATOM 45 NE ARG A 23 25.025 0.871 25.240 1.00 18.34 N ATOM 46 CZ ARG A 23 25.568 -0.361 25.385 1.00 19.97 C ATOM 47 NH1 ARG A 23 26.066 -0.979 24.305 1.00 19.88 N ATOM 48 NH2 ARG A 23 25.621 -0.961 26.542 1.00 26.67 N ATOM 49 HE ARG A 23 24.633 1.305 26.100 1.00 0.00 H ATOM 50 HH12 ARG A 23 26.487 -1.926 24.396 1.00 0.00 H ATOM 51 HH11 ARG A 23 26.031 -0.512 23.376 1.00 0.00 H ATOM 52 HH22 ARG A 23 26.045 -1.908 26.618 1.00 0.00 H ATOM 53 HH21 ARG A 23 25.239 -0.493 27.389 1.00 0.00 H ATOM 54 H ARG A 23 23.252 0.480 19.980 1.00 0.00 H ATOM 55 N CYS A 24 21.573 4.138 20.451 1.00 11.55 N ATOM 56 CA CYS A 24 21.552 5.273 19.591 1.00 11.91 C ATOM 57 C CYS A 24 22.949 5.684 19.311 1.00 12.81 C ATOM 58 O CYS A 24 23.753 5.923 20.235 1.00 14.10 O ATOM 59 CB CYS A 24 20.787 6.439 20.213 1.00 12.93 C ATOM 60 SG CYS A 24 20.861 7.947 19.271 1.00 12.88 S ATOM 61 H CYS A 24 21.130 4.206 21.389 1.00 0.00 H ATOM 62 N ARG A 25 23.333 5.814 18.035 1.00 13.28 N ATOM 63 CA ARG A 25 24.649 6.199 17.678 1.00 16.51 C ATOM 64 C ARG A 25 25.053 7.604 18.058 1.00 18.28 C ATOM 65 O ARG A 25 26.172 7.922 18.364 1.00 22.26 O ATOM 66 CB ARG A 25 24.888 6.080 16.174 1.00 19.26 C ATOM 67 CG ARG A 25 26.313 5.988 15.866 1.00 27.82 C ATOM 68 CD ARG A 25 26.570 5.547 14.421 1.00 28.93 C ATOM 69 NE ARG A 25 26.583 4.185 13.889 1.00 28.67 N ATOM 70 CZ ARG A 25 27.458 3.138 14.186 1.00 30.22 C ATOM 71 NH1 ARG A 25 27.411 2.075 13.377 1.00 43.06 N ATOM 72 NH2 ARG A 25 28.217 3.026 15.263 1.00 31.51 N ATOM 73 HE ARG A 25 25.840 3.966 13.195 1.00 0.00 H ATOM 74 HH12 ARG A 25 28.039 1.264 13.547 1.00 0.00 H ATOM 75 HH11 ARG A 25 26.747 2.059 12.577 1.00 0.00 H ATOM 76 HH22 ARG A 25 28.834 2.197 15.380 1.00 0.00 H ATOM 77 HH21 ARG A 25 28.197 3.767 15.993 1.00 0.00 H ATOM 78 H ARG A 25 22.642 5.626 17.281 1.00 0.00 H ATOM 79 N GLN A 26 24.081 8.466 18.129 1.00 15.71 N ATOM 80 CA GLN A 26 24.313 9.880 18.499 1.00 17.53 C ATOM 81 C GLN A 26 24.502 10.098 19.996 1.00 17.74 C ATOM 82 O GLN A 26 25.387 10.850 20.383 1.00 22.21 O ATOM 83 CB GLN A 26 23.124 10.768 18.083 1.00 16.05 C ATOM 84 CG GLN A 26 23.432 12.223 18.172 1.00 19.52 C ATOM 85 CD GLN A 26 22.262 13.183 17.839 1.00 20.77 C ATOM 86 OE1 GLN A 26 22.118 14.204 18.572 1.00 28.48 O ATOM 87 NE2 GLN A 26 21.567 12.966 16.761 1.00 21.13 N ATOM 88 HE22 GLN A 26 21.732 12.106 16.200 1.00 0.00 H ATOM 89 HE21 GLN A 26 20.846 13.652 16.460 1.00 0.00 H ATOM 90 H GLN A 26 23.112 8.152 17.919 1.00 0.00 H ATOM 91 N CYS A 27 23.717 9.442 20.839 1.00 15.59 N ATOM 92 CA CYS A 27 23.742 9.770 22.259 1.00 16.69 C ATOM 93 C CYS A 27 24.007 8.587 23.163 1.00 16.49 C ATOM 94 O CYS A 27 24.235 8.796 24.376 1.00 17.78 O ATOM 95 CB CYS A 27 22.471 10.469 22.712 1.00 16.80 C ATOM 96 SG CYS A 27 21.058 9.377 22.897 1.00 15.40 S ATOM 97 H CYS A 27 23.085 8.695 20.488 1.00 0.00 H ATOM 98 N GLY A 28 23.956 7.358 22.652 1.00 15.04 N ATOM 99 CA GLY A 28 24.185 6.189 23.437 1.00 16.55 C ATOM 100 C GLY A 28 22.998 5.606 24.204 1.00 15.35 C ATOM 101 O GLY A 28 23.117 4.588 24.856 1.00 16.33 O ATOM 102 H GLY A 28 23.741 7.246 21.641 1.00 0.00 H ATOM 103 N GLN A 29 21.833 6.198 24.015 1.00 14.41 N ATOM 104 CA GLN A 29 20.635 5.686 24.560 1.00 16.58 C ATOM 105 C GLN A 29 20.462 4.193 24.179 1.00 14.05 C ATOM 106 O GLN A 29 20.605 3.814 23.020 1.00 13.10 O ATOM 107 CB GLN A 29 19.420 6.432 23.939 1.00 16.88 C ATOM 108 CG GLN A 29 17.972 6.069 24.263 1.00 18.37 C ATOM 109 CD GLN A 29 17.406 6.752 25.428 1.00 20.98 C ATOM 110 OE1 GLN A 29 18.107 7.121 26.369 1.00 23.37 O ATOM 111 NE2 GLN A 29 16.101 7.150 25.313 1.00 23.10 N ATOM 112 HE22 GLN A 29 15.527 6.825 24.509 1.00 0.00 H ATOM 113 HE21 GLN A 29 15.683 7.777 26.030 1.00 0.00 H ATOM 114 H GLN A 29 21.796 7.068 23.447 1.00 0.00 H ATOM 115 N THR A 30 20.118 3.345 25.132 1.00 14.19 N ATOM 116 CA THR A 30 19.884 1.937 24.838 1.00 13.22 C ATOM 117 C THR A 30 18.555 1.759 24.116 1.00 11.99 C ATOM 118 O THR A 30 17.565 2.289 24.556 1.00 14.13 O ATOM 119 CB THR A 30 19.901 1.098 26.103 1.00 16.52 C ATOM 120 OG1 THR A 30 21.139 1.333 26.707 1.00 27.07 O ATOM 121 CG2 THR A 30 19.710 -0.319 25.804 1.00 19.17 C ATOM 122 HG1 THR A 30 21.225 2.297 26.916 1.00 0.00 H ATOM 123 H THR A 30 20.012 3.688 26.108 1.00 0.00 H ATOM 124 N ILE A 31 18.542 0.991 23.037 1.00 10.11 N ATOM 125 CA ILE A 31 17.362 0.839 22.194 1.00 9.84 C ATOM 126 C ILE A 31 16.892 -0.598 22.065 1.00 9.72 C ATOM 127 O ILE A 31 15.728 -0.885 22.279 1.00 10.11 O ATOM 128 CB ILE A 31 17.612 1.429 20.786 1.00 9.61 C ATOM 129 CG1 ILE A 31 18.080 2.880 20.840 1.00 11.18 C ATOM 130 CG2 ILE A 31 16.354 1.285 19.952 1.00 10.37 C ATOM 131 CD1 ILE A 31 17.111 3.889 21.423 1.00 12.33 C ATOM 132 H ILE A 31 19.408 0.476 22.781 1.00 0.00 H ATOM 133 N SER A 32 17.775 -1.534 21.650 1.00 9.51 N ATOM 134 CA SER A 32 17.302 -2.909 21.441 1.00 9.62 C ATOM 135 C SER A 32 18.443 -3.879 21.594 1.00 9.55 C ATOM 136 O SER A 32 19.497 -3.555 22.136 1.00 9.69 O ATOM 137 CB SER A 32 16.563 -2.979 20.075 1.00 10.04 C ATOM 138 OG SER A 32 15.840 -4.199 19.983 1.00 10.60 O ATOM 139 HG SER A 32 15.178 -4.245 20.718 1.00 0.00 H ATOM 140 H SER A 32 18.771 -1.285 21.482 1.00 0.00 H ATOM 141 N ARG A 33 18.207 -5.110 21.098 1.00 9.92 N ATOM 142 CA ARG A 33 19.091 -6.234 21.326 1.00 9.95 C ATOM 143 C ARG A 33 19.154 -7.100 20.086 1.00 9.63 C ATOM 144 O ARG A 33 18.129 -7.277 19.431 1.00 9.62 O ATOM 145 CB ARG A 33 18.523 -7.127 22.480 1.00 12.50 C ATOM 146 CG ARG A 33 18.404 -6.449 23.776 1.00 13.74 C ATOM 147 CD ARG A 33 17.727 -7.276 24.840 1.00 13.75 C ATOM 148 NE ARG A 33 18.348 -8.552 25.102 1.00 13.67 N ATOM 149 CZ ARG A 33 17.918 -9.709 24.711 1.00 13.47 C ATOM 150 NH1 ARG A 33 16.828 -9.825 23.965 1.00 14.98 N ATOM 151 NH2 ARG A 33 18.485 -10.846 25.121 1.00 15.65 N ATOM 152 HE ARG A 33 19.226 -8.541 25.659 1.00 0.00 H ATOM 153 HH12 ARG A 33 16.502 -10.765 23.663 1.00 0.00 H ATOM 154 HH11 ARG A 33 16.299 -8.976 23.682 1.00 0.00 H ATOM 155 HH22 ARG A 33 18.116 -11.760 24.789 1.00 0.00 H ATOM 156 HH21 ARG A 33 19.295 -10.818 25.772 1.00 0.00 H ATOM 157 H ARG A 33 17.351 -5.259 20.526 1.00 0.00 H ATOM 158 N ARG A 34 20.314 -7.663 19.824 1.00 10.98 N ATOM 159 CA ARG A 34 20.423 -8.596 18.706 1.00 11.03 C ATOM 160 C ARG A 34 19.465 -9.771 18.817 1.00 10.31 C ATOM 161 O ARG A 34 18.920 -10.216 17.798 1.00 11.14 O ATOM 162 CB ARG A 34 21.878 -9.065 18.568 1.00 13.09 C ATOM 163 CG ARG A 34 22.129 -10.110 17.467 1.00 15.33 C ATOM 164 CD ARG A 34 23.579 -10.253 17.102 1.00 16.69 C ATOM 165 NE ARG A 34 24.021 -9.136 16.310 1.00 17.93 N ATOM 166 CZ ARG A 34 23.939 -9.033 14.919 1.00 16.40 C ATOM 167 NH1 ARG A 34 23.455 -9.930 14.185 1.00 20.54 N ATOM 168 NH2 ARG A 34 24.301 -8.020 14.358 1.00 16.60 N ATOM 169 HE ARG A 34 24.440 -8.332 16.819 1.00 0.00 H ATOM 170 HH12 ARG A 34 23.421 -9.796 13.154 1.00 0.00 H ATOM 171 HH11 ARG A 34 23.088 -10.806 14.608 1.00 0.00 H ATOM 172 HH22 ARG A 34 24.238 -7.948 13.322 1.00 0.00 H ATOM 173 HH21 ARG A 34 24.674 -7.223 14.913 1.00 0.00 H ATOM 174 H ARG A 34 21.146 -7.445 20.408 1.00 0.00 H ATOM 175 N ASP A 35 19.192 -10.236 20.022 1.00 10.96 N ATOM 176 CA ASP A 35 18.291 -11.331 20.205 1.00 11.45 C ATOM 177 C ASP A 35 16.830 -11.003 19.969 1.00 10.63 C ATOM 178 O ASP A 35 15.997 -11.872 20.034 1.00 13.55 O ATOM 179 CB ASP A 35 18.535 -11.984 21.528 1.00 15.15 C ATOM 180 CG ASP A 35 19.787 -12.950 21.498 1.00 21.83 C ATOM 181 OD1 ASP A 35 20.315 -13.268 20.400 1.00 27.25 O ATOM 182 OD2 ASP A 35 20.055 -13.556 22.464 1.00 37.26 O ATOM 183 H ASP A 35 19.640 -9.798 20.852 1.00 0.00 H ATOM 184 N TRP A 36 16.540 -9.727 19.676 1.00 9.22 N ATOM 185 CA TRP A 36 15.204 -9.298 19.281 1.00 9.37 C ATOM 186 C TRP A 36 15.112 -9.064 17.769 1.00 9.53 C ATOM 187 O TRP A 36 14.047 -8.629 17.311 1.00 10.38 O ATOM 188 CB TRP A 36 14.770 -8.077 20.045 1.00 9.61 C ATOM 189 CG TRP A 36 14.430 -8.348 21.510 1.00 9.53 C ATOM 190 CD1 TRP A 36 13.983 -9.514 22.029 1.00 10.90 C ATOM 191 CD2 TRP A 36 14.410 -7.401 22.565 1.00 10.04 C ATOM 192 NE1 TRP A 36 13.690 -9.361 23.366 1.00 11.13 N ATOM 193 CE2 TRP A 36 13.936 -8.067 23.695 1.00 11.28 C ATOM 194 CE3 TRP A 36 14.767 -6.042 22.648 1.00 10.32 C ATOM 195 CZ2 TRP A 36 13.732 -7.380 24.895 1.00 12.46 C ATOM 196 CZ3 TRP A 36 14.564 -5.399 23.853 1.00 12.15 C ATOM 197 CH2 TRP A 36 14.084 -6.052 24.936 1.00 13.24 C ATOM 198 HE1 TRP A 36 13.343 -10.102 24.007 1.00 0.00 H ATOM 199 H TRP A 36 17.297 -9.016 19.733 1.00 0.00 H ATOM 200 N LEU A 37 16.115 -9.385 17.009 1.00 9.53 N ATOM 201 CA LEU A 37 15.981 -9.246 15.544 1.00 9.84 C ATOM 202 C LEU A 37 14.851 -10.165 15.081 1.00 9.66 C ATOM 203 O LEU A 37 14.663 -11.288 15.545 1.00 11.06 O ATOM 204 CB LEU A 37 17.250 -9.592 14.873 1.00 10.95 C ATOM 205 CG LEU A 37 18.338 -8.552 14.952 1.00 11.62 C ATOM 206 CD1 LEU A 37 19.669 -9.108 14.456 1.00 15.22 C ATOM 207 CD2 LEU A 37 17.968 -7.284 14.198 1.00 12.26 C ATOM 208 H LEU A 37 17.001 -9.735 17.426 1.00 0.00 H ATOM 209 N LEU A 38 14.132 -9.676 14.071 1.00 9.42 N ATOM 210 CA LEU A 38 12.917 -10.303 13.618 1.00 9.83 C ATOM 211 C LEU A 38 12.967 -10.539 12.126 1.00 9.98 C ATOM 212 O LEU A 38 13.093 -9.587 11.352 1.00 10.81 O ATOM 213 CB LEU A 38 11.734 -9.394 13.925 1.00 11.27 C ATOM 214 CG LEU A 38 10.348 -9.890 13.637 1.00 12.15 C ATOM 215 CD1 LEU A 38 9.980 -11.108 14.495 1.00 14.56 C ATOM 216 CD2 LEU A 38 9.363 -8.765 13.821 1.00 15.13 C ATOM 217 H LEU A 38 14.459 -8.812 13.594 1.00 0.00 H ATOM 218 N PRO A 39 12.803 -11.783 11.660 1.00 10.29 N ATOM 219 CA PRO A 39 12.957 -12.054 10.194 1.00 10.74 C ATOM 220 C PRO A 39 11.659 -11.768 9.459 1.00 11.83 C ATOM 221 O PRO A 39 11.100 -12.637 8.754 1.00 12.86 O ATOM 222 CB PRO A 39 13.315 -13.530 10.182 1.00 11.98 C ATOM 223 CG PRO A 39 12.650 -14.090 11.364 1.00 13.96 C ATOM 224 CD PRO A 39 12.741 -13.020 12.421 1.00 11.20 C ATOM 225 N MET A 40 11.286 -10.507 9.338 1.00 12.42 N ATOM 226 CA MET A 40 10.125 -10.080 8.519 1.00 12.20 C ATOM 227 C MET A 40 10.398 -10.279 7.088 1.00 13.69 C ATOM 228 O MET A 40 11.418 -9.882 6.495 1.00 16.63 O ATOM 229 CB MET A 40 9.897 -8.602 8.684 1.00 15.11 C ATOM 230 CG MET A 40 9.397 -8.153 10.013 1.00 13.97 C ATOM 231 SD MET A 40 7.916 -9.051 10.612 1.00 18.14 S ATOM 232 CE MET A 40 6.495 -8.719 9.650 1.00 30.12 C ATOM 233 H MET A 40 11.832 -9.779 9.841 1.00 0.00 H ATOM 234 N GLY A 41 9.482 -11.033 6.432 1.00 14.10 N ATOM 235 CA GLY A 41 9.702 -11.313 5.050 1.00 16.39 C ATOM 236 C GLY A 41 10.870 -12.231 4.806 1.00 16.98 C ATOM 237 O GLY A 41 11.302 -12.373 3.636 1.00 21.46 O ATOM 238 H GLY A 41 8.641 -11.398 6.923 1.00 0.00 H ATOM 239 N GLY A 42 11.345 -12.882 5.811 1.00 13.17 N ATOM 240 CA GLY A 42 12.510 -13.783 5.658 1.00 15.76 C ATOM 241 C GLY A 42 13.797 -13.237 6.162 1.00 13.40 C ATOM 242 O GLY A 42 14.727 -14.038 6.247 1.00 16.09 O ATOM 243 H GLY A 42 10.903 -12.773 6.746 1.00 0.00 H ATOM 244 N ASP A 43 13.899 -11.979 6.480 1.00 12.76 N ATOM 245 CA ASP A 43 15.205 -11.439 6.873 1.00 14.36 C ATOM 246 C ASP A 43 14.979 -10.241 7.694 1.00 12.06 C ATOM 247 O ASP A 43 14.097 -9.459 7.480 1.00 15.87 O ATOM 248 CB ASP A 43 15.985 -11.036 5.652 1.00 21.86 C ATOM 249 CG ASP A 43 17.530 -11.107 6.062 1.00 30.32 C ATOM 250 OD1 ASP A 43 18.081 -10.245 6.635 1.00 22.47 O ATOM 251 OD2 ASP A 43 18.205 -12.233 5.942 1.00 33.41 O ATOM 252 H ASP A 43 13.062 -11.362 6.456 1.00 0.00 H ATOM 253 N HIS A 44 15.869 -9.986 8.692 1.00 12.36 N ATOM 254 CA HIS A 44 15.770 -8.759 9.428 1.00 10.78 C ATOM 255 C HIS A 44 16.171 -7.537 8.649 1.00 10.27 C ATOM 256 O HIS A 44 15.727 -6.424 8.995 1.00 12.39 O ATOM 257 CB HIS A 44 16.515 -8.806 10.773 1.00 10.98 C ATOM 258 CG HIS A 44 17.975 -8.989 10.645 1.00 11.00 C ATOM 259 ND1 HIS A 44 18.531 -10.206 10.726 1.00 13.92 N ATOM 260 CD2 HIS A 44 18.977 -8.125 10.512 1.00 13.71 C ATOM 261 CE1 HIS A 44 19.847 -10.084 10.596 1.00 15.59 C ATOM 262 NE2 HIS A 44 20.136 -8.807 10.456 1.00 15.81 N ATOM 263 H HIS A 44 16.614 -10.675 8.919 1.00 0.00 H ATOM 264 N GLU A 45 17.014 -7.672 7.652 1.00 10.34 N ATOM 265 CA GLU A 45 17.556 -6.518 6.920 1.00 10.55 C ATOM 266 C GLU A 45 16.798 -6.277 5.629 1.00 10.36 C ATOM 267 O GLU A 45 16.638 -7.188 4.823 1.00 12.13 O ATOM 268 CB GLU A 45 19.012 -6.733 6.618 1.00 12.08 C ATOM 269 CG GLU A 45 19.601 -5.601 5.799 1.00 13.34 C ATOM 270 CD GLU A 45 21.093 -5.635 5.676 1.00 16.30 C ATOM 271 OE1 GLU A 45 21.585 -6.123 4.701 1.00 30.19 O ATOM 272 OE2 GLU A 45 21.790 -5.210 6.530 1.00 16.14 O ATOM 273 H GLU A 45 17.309 -8.629 7.370 1.00 0.00 H ATOM 274 N HIS A 46 16.390 -5.021 5.431 1.00 10.73 N ATOM 275 CA HIS A 46 15.728 -4.560 4.231 1.00 11.80 C ATOM 276 C HIS A 46 16.347 -3.250 3.830 1.00 11.42 C ATOM 277 O HIS A 46 16.261 -2.271 4.560 1.00 12.84 O ATOM 278 CB HIS A 46 14.198 -4.374 4.537 1.00 13.73 C ATOM 279 CG HIS A 46 13.539 -5.692 4.855 1.00 16.27 C ATOM 280 ND1 HIS A 46 12.802 -6.374 3.947 1.00 20.71 N ATOM 281 CD2 HIS A 46 13.551 -6.437 5.947 1.00 16.56 C ATOM 282 CE1 HIS A 46 12.412 -7.486 4.553 1.00 21.55 C ATOM 283 NE2 HIS A 46 12.837 -7.541 5.768 1.00 18.56 N ATOM 284 H HIS A 46 16.559 -4.329 6.189 1.00 0.00 H ATOM 285 N VAL A 47 16.925 -3.200 2.604 1.00 11.30 N ATOM 286 CA VAL A 47 17.457 -1.974 2.043 1.00 11.79 C ATOM 287 C VAL A 47 16.338 -1.395 1.207 1.00 11.42 C ATOM 288 O VAL A 47 15.901 -2.035 0.212 1.00 14.41 O ATOM 289 CB VAL A 47 18.764 -2.165 1.303 1.00 14.02 C ATOM 290 CG1 VAL A 47 19.183 -0.867 0.677 1.00 16.80 C ATOM 291 CG2 VAL A 47 19.859 -2.734 2.208 1.00 16.27 C ATOM 292 H VAL A 47 16.989 -4.075 2.045 1.00 0.00 H ATOM 293 N VAL A 48 15.879 -0.221 1.534 1.00 9.88 N ATOM 294 CA VAL A 48 14.655 0.340 1.041 1.00 10.45 C ATOM 295 C VAL A 48 14.784 1.822 0.722 1.00 9.96 C ATOM 296 O VAL A 48 15.810 2.449 1.128 1.00 11.29 O ATOM 297 CB VAL A 48 13.519 0.138 2.076 1.00 11.16 C ATOM 298 CG1 VAL A 48 13.146 -1.300 2.238 1.00 13.08 C ATOM 299 CG2 VAL A 48 13.876 0.796 3.417 1.00 12.76 C ATOM 300 H VAL A 48 16.439 0.349 2.199 1.00 0.00 H ATOM 301 N PHE A 49 13.839 2.394 0.042 1.00 10.06 N ATOM 302 CA PHE A 49 13.802 3.804 -0.154 1.00 10.43 C ATOM 303 C PHE A 49 12.374 4.271 0.018 1.00 10.56 C ATOM 304 O PHE A 49 11.415 3.532 -0.211 1.00 11.33 O ATOM 305 CB PHE A 49 14.393 4.268 -1.492 1.00 11.65 C ATOM 306 CG PHE A 49 13.725 3.738 -2.745 1.00 10.73 C ATOM 307 CD1 PHE A 49 12.627 4.293 -3.266 1.00 13.83 C ATOM 308 CD2 PHE A 49 14.252 2.666 -3.364 1.00 11.98 C ATOM 309 CE1 PHE A 49 12.081 3.732 -4.476 1.00 13.19 C ATOM 310 CE2 PHE A 49 13.768 2.183 -4.547 1.00 14.98 C ATOM 311 CZ PHE A 49 12.693 2.759 -5.094 1.00 13.29 C ATOM 312 H PHE A 49 13.087 1.806 -0.372 1.00 0.00 H ATOM 313 N ASN A 50 12.227 5.536 0.418 1.00 11.66 N ATOM 314 CA ASN A 50 10.912 6.124 0.531 1.00 12.27 C ATOM 315 C ASN A 50 10.553 6.876 -0.816 1.00 12.89 C ATOM 316 O ASN A 50 11.397 6.940 -1.692 1.00 13.30 O ATOM 317 CB ASN A 50 10.759 6.991 1.759 1.00 12.66 C ATOM 318 CG ASN A 50 11.517 8.248 1.759 1.00 13.25 C ATOM 319 OD1 ASN A 50 12.051 8.675 0.734 1.00 14.41 O ATOM 320 ND2 ASN A 50 11.700 8.871 2.961 1.00 14.30 N ATOM 321 HD22 ASN A 50 11.241 8.496 3.816 1.00 0.00 H ATOM 322 HD21 ASN A 50 12.298 9.720 3.021 1.00 0.00 H ATOM 323 H ASN A 50 13.067 6.104 0.650 1.00 0.00 H ATOM 324 N PRO A 51 9.329 7.326 -0.952 1.00 14.72 N ATOM 325 CA PRO A 51 8.972 7.915 -2.247 1.00 15.42 C ATOM 326 C PRO A 51 9.737 9.083 -2.586 1.00 17.18 C ATOM 327 O PRO A 51 9.885 9.427 -3.779 1.00 18.44 O ATOM 328 CB PRO A 51 7.459 8.246 -2.016 1.00 19.09 C ATOM 329 CG PRO A 51 7.029 7.192 -1.121 1.00 18.17 C ATOM 330 CD PRO A 51 8.124 7.098 -0.149 1.00 16.15 C ATOM 331 N ALA A 52 10.281 9.814 -1.603 1.00 15.71 N ATOM 332 CA ALA A 52 11.139 10.950 -1.863 1.00 17.99 C ATOM 333 C ALA A 52 12.576 10.600 -2.201 1.00 17.44 C ATOM 334 O ALA A 52 13.391 11.498 -2.428 1.00 21.66 O ATOM 335 CB ALA A 52 11.112 11.843 -0.637 1.00 20.41 C ATOM 336 H ALA A 52 10.079 9.555 -0.616 1.00 0.00 H ATOM 337 N GLY A 53 12.882 9.323 -2.219 1.00 14.70 N ATOM 338 CA GLY A 53 14.214 8.961 -2.619 1.00 15.48 C ATOM 339 C GLY A 53 15.245 8.855 -1.529 1.00 13.86 C ATOM 340 O GLY A 53 16.454 8.737 -1.803 1.00 16.67 O ATOM 341 H GLY A 53 12.185 8.599 -1.953 1.00 0.00 H ATOM 342 N MET A 54 14.814 8.847 -0.280 1.00 13.30 N ATOM 343 CA MET A 54 15.727 8.644 0.807 1.00 12.84 C ATOM 344 C MET A 54 15.949 7.138 0.976 1.00 12.30 C ATOM 345 O MET A 54 14.955 6.396 1.031 1.00 13.01 O ATOM 346 CB MET A 54 15.185 9.299 2.061 1.00 14.51 C ATOM 347 CG MET A 54 14.868 10.753 1.870 1.00 19.92 C ATOM 348 SD MET A 54 13.932 11.596 3.154 1.00 24.56 S ATOM 349 CE MET A 54 15.154 11.644 4.317 1.00 27.92 C ATOM 350 H MET A 54 13.803 8.989 -0.083 1.00 0.00 H ATOM 351 N ILE A 55 17.164 6.696 1.089 1.00 12.75 N ATOM 352 CA ILE A 55 17.525 5.322 1.149 1.00 12.44 C ATOM 353 C ILE A 55 17.913 4.939 2.571 1.00 12.47 C ATOM 354 O ILE A 55 18.605 5.702 3.252 1.00 15.88 O ATOM 355 CB ILE A 55 18.665 4.972 0.154 1.00 14.88 C ATOM 356 CG1 ILE A 55 18.208 5.241 -1.301 1.00 15.38 C ATOM 357 CG2 ILE A 55 19.178 3.571 0.268 1.00 17.32 C ATOM 358 CD1 ILE A 55 19.274 5.284 -2.353 1.00 19.75 C ATOM 359 H ILE A 55 17.930 7.398 1.139 1.00 0.00 H ATOM 360 N PHE A 56 17.457 3.790 3.037 1.00 10.82 N ATOM 361 CA PHE A 56 17.694 3.290 4.400 1.00 10.96 C ATOM 362 C PHE A 56 17.999 1.861 4.397 1.00 10.94 C ATOM 363 O PHE A 56 17.405 1.072 3.675 1.00 11.80 O ATOM 364 CB PHE A 56 16.447 3.532 5.263 1.00 10.77 C ATOM 365 CG PHE A 56 15.942 4.930 5.322 1.00 10.96 C ATOM 366 CD1 PHE A 56 16.357 5.847 6.269 1.00 11.91 C ATOM 367 CD2 PHE A 56 14.914 5.338 4.454 1.00 12.30 C ATOM 368 CE1 PHE A 56 15.864 7.105 6.334 1.00 14.13 C ATOM 369 CE2 PHE A 56 14.421 6.599 4.488 1.00 15.20 C ATOM 370 CZ PHE A 56 14.906 7.511 5.464 1.00 15.72 C ATOM 371 H PHE A 56 16.891 3.198 2.396 1.00 0.00 H ATOM 372 N ARG A 57 18.877 1.440 5.307 1.00 10.81 N ATOM 373 CA ARG A 57 19.126 0.037 5.644 1.00 10.19 C ATOM 374 C ARG A 57 18.396 -0.212 6.933 1.00 10.03 C ATOM 375 O ARG A 57 18.833 0.232 7.986 1.00 11.69 O ATOM 376 CB ARG A 57 20.606 -0.293 5.651 1.00 12.79 C ATOM 377 CG ARG A 57 20.892 -1.729 5.908 1.00 13.60 C ATOM 378 CD ARG A 57 22.320 -2.171 5.588 1.00 16.46 C ATOM 379 NE ARG A 57 23.226 -1.544 6.483 1.00 16.00 N ATOM 380 CZ ARG A 57 23.998 -2.204 7.326 1.00 13.35 C ATOM 381 NH1 ARG A 57 23.893 -3.465 7.533 1.00 14.53 N ATOM 382 NH2 ARG A 57 24.866 -1.503 8.068 1.00 15.33 N ATOM 383 HE ARG A 57 23.285 -0.506 6.474 1.00 0.00 H ATOM 384 HH12 ARG A 57 24.528 -3.936 8.209 1.00 0.00 H ATOM 385 HH11 ARG A 57 23.173 -4.017 7.025 1.00 0.00 H ATOM 386 HH22 ARG A 57 25.489 -1.993 8.742 1.00 0.00 H ATOM 387 HH21 ARG A 57 24.917 -0.469 7.970 1.00 0.00 H ATOM 388 H ARG A 57 19.426 2.162 5.816 1.00 0.00 H ATOM 389 N VAL A 58 17.232 -0.852 6.836 1.00 9.37 N ATOM 390 CA VAL A 58 16.340 -1.070 7.953 1.00 9.85 C ATOM 391 C VAL A 58 16.528 -2.450 8.495 1.00 9.34 C ATOM 392 O VAL A 58 16.517 -3.429 7.763 1.00 11.38 O ATOM 393 CB VAL A 58 14.879 -0.814 7.533 1.00 10.70 C ATOM 394 CG1 VAL A 58 13.898 -1.190 8.590 1.00 13.34 C ATOM 395 CG2 VAL A 58 14.739 0.626 7.076 1.00 12.19 C ATOM 396 H VAL A 58 16.949 -1.216 5.904 1.00 0.00 H ATOM 397 N TRP A 59 16.620 -2.549 9.838 1.00 9.01 N ATOM 398 CA TRP A 59 16.657 -3.813 10.555 1.00 8.71 C ATOM 399 C TRP A 59 15.433 -3.912 11.414 1.00 8.93 C ATOM 400 O TRP A 59 15.095 -3.010 12.170 1.00 9.54 O ATOM 401 CB TRP A 59 17.928 -3.918 11.413 1.00 9.74 C ATOM 402 CG TRP A 59 19.176 -4.249 10.646 1.00 9.83 C ATOM 403 CD1 TRP A 59 19.423 -4.078 9.315 1.00 11.54 C ATOM 404 CD2 TRP A 59 20.306 -4.887 11.176 1.00 10.79 C ATOM 405 NE1 TRP A 59 20.640 -4.578 9.033 1.00 12.30 N ATOM 406 CE2 TRP A 59 21.201 -5.119 10.145 1.00 11.79 C ATOM 407 CE3 TRP A 59 20.620 -5.359 12.450 1.00 12.24 C ATOM 408 CZ2 TRP A 59 22.381 -5.805 10.313 1.00 14.12 C ATOM 409 CZ3 TRP A 59 21.784 -6.103 12.632 1.00 15.48 C ATOM 410 CH2 TRP A 59 22.645 -6.309 11.543 1.00 17.17 C ATOM 411 HE1 TRP A 59 21.088 -4.554 8.095 1.00 0.00 H ATOM 412 H TRP A 59 16.667 -1.670 10.392 1.00 0.00 H ATOM 413 N CYS A 60 14.768 -5.067 11.320 1.00 8.88 N ATOM 414 CA CYS A 60 13.570 -5.305 12.055 1.00 8.98 C ATOM 415 C CYS A 60 13.836 -5.931 13.419 1.00 9.03 C ATOM 416 O CYS A 60 14.578 -6.919 13.496 1.00 9.85 O ATOM 417 CB CYS A 60 12.597 -6.178 11.290 1.00 10.09 C ATOM 418 SG CYS A 60 12.122 -5.527 9.746 1.00 12.91 S ATOM 419 H CYS A 60 15.134 -5.812 10.694 1.00 0.00 H ATOM 420 N PHE A 61 13.206 -5.401 14.429 1.00 9.17 N ATOM 421 CA PHE A 61 13.330 -5.862 15.834 1.00 9.54 C ATOM 422 C PHE A 61 11.927 -6.047 16.358 1.00 9.70 C ATOM 423 O PHE A 61 11.046 -5.219 16.136 1.00 10.90 O ATOM 424 CB PHE A 61 14.034 -4.810 16.702 1.00 10.01 C ATOM 425 CG PHE A 61 15.488 -4.614 16.395 1.00 9.94 C ATOM 426 CD1 PHE A 61 15.877 -3.711 15.386 1.00 10.02 C ATOM 427 CD2 PHE A 61 16.475 -5.265 17.096 1.00 10.05 C ATOM 428 CE1 PHE A 61 17.201 -3.480 15.158 1.00 10.61 C ATOM 429 CE2 PHE A 61 17.794 -5.034 16.834 1.00 10.67 C ATOM 430 CZ PHE A 61 18.160 -4.127 15.874 1.00 10.83 C ATOM 431 H PHE A 61 12.572 -4.599 14.237 1.00 0.00 H ATOM 432 N SER A 62 11.728 -7.107 17.145 1.00 9.92 N ATOM 433 CA SER A 62 10.396 -7.316 17.736 1.00 11.00 C ATOM 434 C SER A 62 10.060 -6.324 18.819 1.00 10.16 C ATOM 435 O SER A 62 8.905 -6.020 19.001 1.00 13.47 O ATOM 436 CB SER A 62 10.305 -8.751 18.289 1.00 12.45 C ATOM 437 OG SER A 62 11.309 -8.935 19.215 1.00 14.20 O ATOM 438 HG SER A 62 11.259 -9.855 19.576 1.00 0.00 H ATOM 439 H SER A 62 12.502 -7.775 17.338 1.00 0.00 H ATOM 440 N LEU A 63 11.061 -5.897 19.543 1.00 9.76 N ATOM 441 CA LEU A 63 10.952 -5.050 20.737 1.00 10.63 C ATOM 442 C LEU A 63 12.041 -4.039 20.717 1.00 10.60 C ATOM 443 O LEU A 63 13.127 -4.291 20.192 1.00 10.58 O ATOM 444 CB LEU A 63 11.089 -5.956 22.006 1.00 11.27 C ATOM 445 CG LEU A 63 9.976 -6.972 22.196 1.00 12.34 C ATOM 446 CD1 LEU A 63 10.380 -8.032 23.155 1.00 14.13 C ATOM 447 CD2 LEU A 63 8.628 -6.356 22.544 1.00 16.11 C ATOM 448 H LEU A 63 12.017 -6.182 19.248 1.00 0.00 H ATOM 449 N ALA A 64 11.775 -2.880 21.301 1.00 10.64 N ATOM 450 CA ALA A 64 12.727 -1.819 21.426 1.00 10.63 C ATOM 451 C ALA A 64 12.221 -0.848 22.486 1.00 11.28 C ATOM 452 O ALA A 64 11.036 -0.752 22.692 1.00 14.28 O ATOM 453 CB ALA A 64 12.917 -1.064 20.145 1.00 11.93 C ATOM 454 H ALA A 64 10.822 -2.733 21.690 1.00 0.00 H ATOM 455 N GLN A 65 13.129 -0.173 23.122 1.00 11.16 N ATOM 456 CA GLN A 65 12.811 0.857 24.118 1.00 10.90 C ATOM 457 C GLN A 65 13.615 2.110 23.809 1.00 11.71 C ATOM 458 O GLN A 65 14.363 2.170 22.882 1.00 12.26 O ATOM 459 CB GLN A 65 13.064 0.310 25.536 1.00 12.58 C ATOM 460 CG GLN A 65 12.159 -0.860 25.903 1.00 15.35 C ATOM 461 CD GLN A 65 10.670 -0.541 25.989 1.00 19.75 C ATOM 462 OE1 GLN A 65 10.300 0.611 26.275 1.00 21.32 O ATOM 463 NE2 GLN A 65 9.807 -1.548 25.805 1.00 28.87 N ATOM 464 HE22 GLN A 65 10.159 -2.497 25.567 1.00 0.00 H ATOM 465 HE21 GLN A 65 8.785 -1.381 25.900 1.00 0.00 H ATOM 466 H GLN A 65 14.129 -0.371 22.916 1.00 0.00 H ATOM 467 N GLY A 66 13.417 3.158 24.633 1.00 12.05 N ATOM 468 CA GLY A 66 14.159 4.346 24.450 1.00 13.03 C ATOM 469 C GLY A 66 13.711 5.239 23.324 1.00 12.83 C ATOM 470 O GLY A 66 14.407 6.186 23.021 1.00 14.95 O ATOM 471 H GLY A 66 12.720 3.092 25.402 1.00 0.00 H ATOM 472 N LEU A 67 12.544 4.936 22.765 1.00 12.21 N ATOM 473 CA LEU A 67 12.057 5.640 21.556 1.00 12.02 C ATOM 474 C LEU A 67 10.847 6.480 21.882 1.00 14.10 C ATOM 475 O LEU A 67 10.088 6.181 22.804 1.00 18.07 O ATOM 476 CB LEU A 67 11.670 4.629 20.496 1.00 13.16 C ATOM 477 CG LEU A 67 12.793 3.751 19.971 1.00 13.01 C ATOM 478 CD1 LEU A 67 12.282 2.574 19.174 1.00 15.24 C ATOM 479 CD2 LEU A 67 13.793 4.532 19.174 1.00 13.53 C ATOM 480 H LEU A 67 11.959 4.187 23.186 1.00 0.00 H ATOM 481 N ARG A 68 10.656 7.537 21.116 1.00 12.46 N ATOM 482 CA ARG A 68 9.446 8.349 21.136 1.00 12.43 C ATOM 483 C ARG A 68 8.821 8.246 19.744 1.00 12.72 C ATOM 484 O ARG A 68 9.470 8.577 18.762 1.00 14.21 O ATOM 485 CB ARG A 68 9.783 9.789 21.448 1.00 14.72 C ATOM 486 CG ARG A 68 8.568 10.749 21.272 1.00 18.56 C ATOM 487 CD ARG A 68 8.913 12.190 21.586 1.00 24.49 C ATOM 488 NE ARG A 68 8.863 12.516 23.040 1.00 28.06 N ATOM 489 CZ ARG A 68 7.770 12.866 23.716 1.00 31.91 C ATOM 490 NH1 ARG A 68 6.523 12.761 23.150 1.00 42.61 N ATOM 491 NH2 ARG A 68 7.932 13.232 25.028 1.00 37.79 N ATOM 492 HE ARG A 68 9.756 12.466 23.571 1.00 0.00 H ATOM 493 HH12 ARG A 68 5.681 13.039 23.693 1.00 0.00 H ATOM 494 HH11 ARG A 68 6.421 12.404 22.179 1.00 0.00 H ATOM 495 HH22 ARG A 68 7.107 13.513 25.595 1.00 0.00 H ATOM 496 HH21 ARG A 68 8.880 13.228 25.456 1.00 0.00 H ATOM 497 H ARG A 68 11.415 7.807 20.458 1.00 0.00 H ATOM 498 N LEU A 69 7.552 7.872 19.677 1.00 12.01 N ATOM 499 CA LEU A 69 6.850 7.814 18.411 1.00 13.51 C ATOM 500 C LEU A 69 6.155 9.146 18.123 1.00 13.39 C ATOM 501 O LEU A 69 5.639 9.758 19.101 1.00 16.67 O ATOM 502 CB LEU A 69 5.802 6.679 18.446 1.00 14.38 C ATOM 503 CG LEU A 69 6.416 5.310 18.777 1.00 17.30 C ATOM 504 CD1 LEU A 69 5.259 4.286 18.594 1.00 22.10 C ATOM 505 CD2 LEU A 69 7.573 4.970 17.886 1.00 16.53 C ATOM 506 H LEU A 69 7.050 7.615 20.551 1.00 0.00 H ATOM 507 N ILE A 70 6.176 9.560 16.896 1.00 11.75 N ATOM 508 CA ILE A 70 5.543 10.850 16.530 1.00 13.30 C ATOM 509 C ILE A 70 4.628 10.668 15.355 1.00 13.83 C ATOM 510 O ILE A 70 4.876 9.843 14.494 1.00 15.40 O ATOM 511 CB ILE A 70 6.607 11.917 16.320 1.00 11.97 C ATOM 512 CG1 ILE A 70 7.525 11.602 15.148 1.00 13.04 C ATOM 513 CG2 ILE A 70 7.369 12.192 17.596 1.00 13.79 C ATOM 514 CD1 ILE A 70 8.414 12.739 14.744 1.00 13.98 C ATOM 515 H ILE A 70 6.639 8.985 16.164 1.00 0.00 H ATOM 516 N GLY A 71 3.653 11.566 15.255 1.00 15.74 N ATOM 517 CA GLY A 71 2.711 11.529 14.162 1.00 17.70 C ATOM 518 C GLY A 71 1.749 10.409 14.281 1.00 18.48 C ATOM 519 O GLY A 71 1.725 9.582 15.139 1.00 26.41 O ATOM 520 H GLY A 71 3.567 12.309 15.978 1.00 0.00 H ATOM 521 N ALA A 72 0.949 10.308 13.283 1.00 19.69 N ATOM 522 CA ALA A 72 -0.107 9.279 13.182 1.00 20.91 C ATOM 523 C ALA A 72 0.429 8.072 12.385 1.00 18.14 C ATOM 524 O ALA A 72 1.265 8.270 11.531 1.00 21.09 O ATOM 525 CB ALA A 72 -1.365 9.845 12.528 1.00 28.15 C ATOM 526 H ALA A 72 1.049 10.988 12.502 1.00 0.00 H ATOM 527 N PRO A 73 -0.114 6.867 12.545 1.00 16.62 N ATOM 528 CA PRO A 73 0.292 5.772 11.709 1.00 15.20 C ATOM 529 C PRO A 73 -0.126 5.995 10.274 1.00 14.84 C ATOM 530 O PRO A 73 -1.168 6.600 10.000 1.00 19.52 O ATOM 531 CB PRO A 73 -0.436 4.555 12.258 1.00 18.85 C ATOM 532 CG PRO A 73 -0.742 4.939 13.644 1.00 24.32 C ATOM 533 CD PRO A 73 -0.956 6.464 13.650 1.00 23.82 C ATOM 534 N SER A 74 0.642 5.491 9.363 1.00 13.68 N ATOM 535 CA SER A 74 0.440 5.641 7.961 1.00 14.58 C ATOM 536 C SER A 74 0.636 4.304 7.266 1.00 13.53 C ATOM 537 O SER A 74 1.628 3.609 7.513 1.00 13.87 O ATOM 538 CB SER A 74 1.283 6.662 7.344 1.00 15.59 C ATOM 539 OG SER A 74 1.086 6.772 5.982 1.00 18.38 O ATOM 540 HG SER A 74 1.681 7.476 5.619 1.00 0.00 H ATOM 541 H SER A 74 1.465 4.937 9.676 1.00 0.00 H ATOM 542 N GLY A 75 -0.182 4.008 6.267 1.00 15.95 N ATOM 543 CA GLY A 75 0.098 2.889 5.395 1.00 18.35 C ATOM 544 C GLY A 75 0.865 3.256 4.124 1.00 17.51 C ATOM 545 O GLY A 75 1.173 2.374 3.295 1.00 21.19 O ATOM 546 H GLY A 75 -1.033 4.585 6.109 1.00 0.00 H ATOM 547 N GLU A 76 1.150 4.525 3.938 1.00 16.20 N ATOM 548 CA GLU A 76 1.710 5.003 2.695 1.00 18.57 C ATOM 549 C GLU A 76 3.082 4.400 2.387 1.00 15.92 C ATOM 550 O GLU A 76 3.984 4.483 3.155 1.00 15.55 O ATOM 551 CB GLU A 76 1.868 6.501 2.759 1.00 21.69 C ATOM 552 CG GLU A 76 2.421 7.138 1.451 1.00 24.52 C ATOM 553 CD GLU A 76 2.423 8.699 1.466 1.00 36.27 C ATOM 554 OE1 GLU A 76 1.791 9.259 2.401 1.00 47.78 O ATOM 555 OE2 GLU A 76 3.041 9.379 0.543 1.00104.52 O ATOM 556 H GLU A 76 0.968 5.203 4.705 1.00 0.00 H ATOM 557 N PHE A 77 3.125 3.649 1.227 1.00 16.01 N ATOM 558 CA PHE A 77 4.360 3.075 0.769 1.00 13.28 C ATOM 559 C PHE A 77 5.002 2.252 1.862 1.00 12.07 C ATOM 560 O PHE A 77 6.233 2.192 1.998 1.00 12.51 O ATOM 561 CB PHE A 77 5.318 4.074 0.226 1.00 14.06 C ATOM 562 CG PHE A 77 6.273 3.568 -0.802 1.00 13.47 C ATOM 563 CD1 PHE A 77 5.795 3.143 -2.028 1.00 14.95 C ATOM 564 CD2 PHE A 77 7.625 3.555 -0.635 1.00 13.14 C ATOM 565 CE1 PHE A 77 6.660 2.753 -2.994 1.00 15.63 C ATOM 566 CE2 PHE A 77 8.530 3.135 -1.569 1.00 16.10 C ATOM 567 CZ PHE A 77 8.029 2.764 -2.787 1.00 15.39 C ATOM 568 H PHE A 77 2.254 3.498 0.680 1.00 0.00 H ATOM 569 N SER A 78 4.207 1.518 2.615 1.00 13.38 N ATOM 570 CA SER A 78 4.804 0.738 3.697 1.00 12.44 C ATOM 571 C SER A 78 5.687 -0.344 3.141 1.00 11.71 C ATOM 572 O SER A 78 5.330 -1.073 2.222 1.00 13.89 O ATOM 573 CB SER A 78 3.726 0.073 4.536 1.00 13.23 C ATOM 574 OG SER A 78 4.396 -0.620 5.580 1.00 14.23 O ATOM 575 HG SER A 78 3.729 -1.072 6.156 1.00 0.00 H ATOM 576 H SER A 78 3.182 1.495 2.443 1.00 0.00 H ATOM 577 N TRP A 79 6.877 -0.444 3.703 1.00 11.52 N ATOM 578 CA TRP A 79 7.827 -1.443 3.261 1.00 11.47 C ATOM 579 C TRP A 79 7.417 -2.856 3.705 1.00 13.06 C ATOM 580 O TRP A 79 7.993 -3.809 3.193 1.00 14.37 O ATOM 581 CB TRP A 79 9.217 -1.103 3.773 1.00 11.90 C ATOM 582 CG TRP A 79 9.733 0.167 3.216 1.00 11.25 C ATOM 583 CD1 TRP A 79 9.687 0.613 1.903 1.00 11.73 C ATOM 584 CD2 TRP A 79 10.422 1.190 3.948 1.00 10.28 C ATOM 585 NE1 TRP A 79 10.252 1.823 1.796 1.00 11.28 N ATOM 586 CE2 TRP A 79 10.741 2.220 3.036 1.00 10.67 C ATOM 587 CE3 TRP A 79 10.763 1.366 5.306 1.00 10.87 C ATOM 588 CZ2 TRP A 79 11.402 3.358 3.405 1.00 11.51 C ATOM 589 CZ3 TRP A 79 11.397 2.509 5.650 1.00 11.81 C ATOM 590 CH2 TRP A 79 11.727 3.498 4.736 1.00 12.17 C ATOM 591 HE1 TRP A 79 10.315 2.380 0.920 1.00 0.00 H ATOM 592 H TRP A 79 7.136 0.204 4.474 1.00 0.00 H ATOM 593 N PHE A 80 6.464 -2.977 4.618 1.00 11.51 N ATOM 594 CA PHE A 80 6.064 -4.252 5.123 1.00 11.83 C ATOM 595 C PHE A 80 4.576 -4.306 4.923 1.00 12.74 C ATOM 596 O PHE A 80 3.776 -3.736 5.625 1.00 14.19 O ATOM 597 CB PHE A 80 6.430 -4.393 6.588 1.00 12.46 C ATOM 598 CG PHE A 80 7.927 -4.248 6.814 1.00 12.01 C ATOM 599 CD1 PHE A 80 8.739 -5.288 6.494 1.00 14.29 C ATOM 600 CD2 PHE A 80 8.478 -3.068 7.229 1.00 12.02 C ATOM 601 CE1 PHE A 80 10.127 -5.120 6.637 1.00 15.60 C ATOM 602 CE2 PHE A 80 9.806 -2.913 7.368 1.00 12.45 C ATOM 603 CZ PHE A 80 10.633 -3.900 7.023 1.00 13.27 C ATOM 604 H PHE A 80 5.995 -2.121 4.976 1.00 0.00 H ATOM 605 N LYS A 81 4.170 -4.977 3.810 1.00 17.36 N ATOM 606 CA LYS A 81 2.765 -5.028 3.442 1.00 20.03 C ATOM 607 C LYS A 81 1.932 -5.537 4.588 1.00 19.25 C ATOM 608 O LYS A 81 2.249 -6.558 5.263 1.00 21.67 O ATOM 609 CB LYS A 81 2.637 -6.037 2.290 1.00 30.27 C ATOM 610 CG LYS A 81 1.192 -6.047 1.719 1.00 38.06 C ATOM 611 CD LYS A 81 1.167 -6.715 0.361 1.00 47.67 C ATOM 612 CE LYS A 81 -0.254 -7.182 0.032 1.00 81.07 C ATOM 613 NZ LYS A 81 -0.507 -7.975 -1.241 1.00 62.69 N ATOM 614 HZ1 LYS A 81 -0.227 -7.405 -2.065 1.00 0.00 H ATOM 615 HZ2 LYS A 81 0.052 -8.852 -1.219 1.00 0.00 H ATOM 616 HZ3 LYS A 81 -1.518 -8.209 -1.307 1.00 0.00 H ATOM 617 H LYS A 81 4.874 -5.459 3.216 1.00 0.00 H ATOM 618 N GLY A 82 0.836 -4.851 4.830 1.00 18.76 N ATOM 619 CA GLY A 82 -0.072 -5.219 5.912 1.00 19.25 C ATOM 620 C GLY A 82 0.271 -4.531 7.244 1.00 15.45 C ATOM 621 O GLY A 82 -0.407 -4.821 8.210 1.00 18.01 O ATOM 622 H GLY A 82 0.611 -4.027 4.236 1.00 0.00 H ATOM 623 N TYR A 83 1.279 -3.659 7.261 1.00 13.33 N ATOM 624 CA TYR A 83 1.620 -2.949 8.469 1.00 11.99 C ATOM 625 C TYR A 83 1.648 -1.443 8.175 1.00 12.13 C ATOM 626 O TYR A 83 2.101 -0.997 7.134 1.00 14.07 O ATOM 627 CB TYR A 83 2.978 -3.350 8.969 1.00 12.19 C ATOM 628 CG TYR A 83 3.026 -4.781 9.507 1.00 12.96 C ATOM 629 CD1 TYR A 83 2.829 -5.012 10.868 1.00 13.64 C ATOM 630 CD2 TYR A 83 3.199 -5.834 8.690 1.00 14.55 C ATOM 631 CE1 TYR A 83 2.791 -6.287 11.348 1.00 16.32 C ATOM 632 CE2 TYR A 83 3.142 -7.143 9.224 1.00 16.91 C ATOM 633 CZ TYR A 83 2.911 -7.340 10.529 1.00 16.57 C ATOM 634 OH TYR A 83 2.838 -8.649 10.980 1.00 23.75 O ATOM 635 HH TYR A 83 3.695 -9.109 10.795 1.00 0.00 H ATOM 636 H TYR A 83 1.826 -3.489 6.393 1.00 0.00 H ATOM 637 N ASP A 84 1.191 -0.666 9.154 1.00 12.28 N ATOM 638 CA ASP A 84 1.253 0.790 9.134 1.00 11.97 C ATOM 639 C ASP A 84 2.402 1.253 9.993 1.00 11.76 C ATOM 640 O ASP A 84 2.641 0.719 11.076 1.00 13.12 O ATOM 641 CB ASP A 84 -0.046 1.350 9.693 1.00 13.83 C ATOM 642 CG ASP A 84 -1.246 0.985 8.827 1.00 19.17 C ATOM 643 OD1 ASP A 84 -1.083 0.987 7.609 1.00 23.76 O ATOM 644 OD2 ASP A 84 -2.294 0.736 9.445 1.00 30.66 O ATOM 645 H ASP A 84 0.764 -1.125 9.983 1.00 0.00 H ATOM 646 N TRP A 85 3.027 2.369 9.599 1.00 11.43 N ATOM 647 CA TRP A 85 4.194 2.863 10.284 1.00 10.95 C ATOM 648 C TRP A 85 3.950 4.170 11.007 1.00 11.29 C ATOM 649 O TRP A 85 3.166 5.029 10.552 1.00 11.98 O ATOM 650 CB TRP A 85 5.366 3.033 9.312 1.00 11.79 C ATOM 651 CG TRP A 85 5.062 3.808 8.072 1.00 11.39 C ATOM 652 CD1 TRP A 85 4.719 3.285 6.854 1.00 12.38 C ATOM 653 CD2 TRP A 85 5.134 5.217 7.872 1.00 11.33 C ATOM 654 NE1 TRP A 85 4.587 4.254 5.969 1.00 13.12 N ATOM 655 CE2 TRP A 85 4.846 5.460 6.539 1.00 12.05 C ATOM 656 CE3 TRP A 85 5.472 6.314 8.691 1.00 12.37 C ATOM 657 CZ2 TRP A 85 4.813 6.758 6.007 1.00 14.02 C ATOM 658 CZ3 TRP A 85 5.499 7.555 8.181 1.00 14.21 C ATOM 659 CH2 TRP A 85 5.140 7.799 6.830 1.00 15.23 C ATOM 660 HE1 TRP A 85 4.322 4.114 4.973 1.00 0.00 H ATOM 661 H TRP A 85 2.661 2.892 8.778 1.00 0.00 H ATOM 662 N THR A 86 4.720 4.372 12.075 1.00 10.65 N ATOM 663 CA THR A 86 4.844 5.606 12.805 1.00 10.65 C ATOM 664 C THR A 86 6.307 5.936 12.966 1.00 10.95 C ATOM 665 O THR A 86 7.081 5.049 13.293 1.00 12.81 O ATOM 666 CB THR A 86 4.212 5.369 14.203 1.00 10.28 C ATOM 667 OG1 THR A 86 2.814 5.036 13.965 1.00 11.43 O ATOM 668 CG2 THR A 86 4.089 6.631 14.899 1.00 10.98 C ATOM 669 HG1 THR A 86 2.362 4.874 14.831 1.00 0.00 H ATOM 670 H THR A 86 5.283 3.565 12.412 1.00 0.00 H ATOM 671 N ILE A 87 6.707 7.174 12.786 1.00 11.01 N ATOM 672 CA ILE A 87 8.103 7.541 12.956 1.00 10.49 C ATOM 673 C ILE A 87 8.576 7.412 14.381 1.00 10.52 C ATOM 674 O ILE A 87 7.838 7.803 15.298 1.00 12.42 O ATOM 675 CB ILE A 87 8.212 9.001 12.483 1.00 11.85 C ATOM 676 CG1 ILE A 87 7.887 9.123 11.023 1.00 13.96 C ATOM 677 CG2 ILE A 87 9.647 9.557 12.768 1.00 12.27 C ATOM 678 CD1 ILE A 87 7.422 10.539 10.633 1.00 17.21 C ATOM 679 H ILE A 87 6.015 7.902 12.518 1.00 0.00 H ATOM 680 N ALA A 88 9.802 6.875 14.523 1.00 9.89 N ATOM 681 CA ALA A 88 10.416 6.679 15.859 1.00 10.45 C ATOM 682 C ALA A 88 11.644 7.520 15.959 1.00 10.45 C ATOM 683 O ALA A 88 12.592 7.381 15.171 1.00 11.18 O ATOM 684 CB ALA A 88 10.722 5.205 16.015 1.00 11.37 C ATOM 685 H ALA A 88 10.332 6.590 13.675 1.00 0.00 H ATOM 686 N LEU A 89 11.696 8.337 17.024 1.00 9.96 N ATOM 687 CA LEU A 89 12.862 9.130 17.375 1.00 9.79 C ATOM 688 C LEU A 89 13.526 8.570 18.608 1.00 10.10 C ATOM 689 O LEU A 89 12.885 7.944 19.432 1.00 11.68 O ATOM 690 CB LEU A 89 12.457 10.545 17.740 1.00 10.45 C ATOM 691 CG LEU A 89 11.719 11.359 16.670 1.00 10.95 C ATOM 692 CD1 LEU A 89 11.405 12.738 17.232 1.00 12.51 C ATOM 693 CD2 LEU A 89 12.475 11.411 15.353 1.00 13.44 C ATOM 694 H LEU A 89 10.855 8.406 17.631 1.00 0.00 H ATOM 695 N CYS A 90 14.835 8.766 18.736 1.00 10.50 N ATOM 696 CA CYS A 90 15.486 8.560 20.026 1.00 10.61 C ATOM 697 C CYS A 90 14.764 9.452 21.060 1.00 12.43 C ATOM 698 O CYS A 90 14.706 10.683 20.860 1.00 13.08 O ATOM 699 CB CYS A 90 16.951 8.898 19.894 1.00 11.20 C ATOM 700 SG CYS A 90 17.779 8.677 21.517 1.00 12.70 S ATOM 701 H CYS A 90 15.397 9.067 17.914 1.00 0.00 H ATOM 702 N GLY A 91 14.355 8.876 22.178 1.00 13.26 N ATOM 703 CA GLY A 91 13.701 9.640 23.188 1.00 16.48 C ATOM 704 C GLY A 91 14.575 10.593 23.950 1.00 17.42 C ATOM 705 O GLY A 91 14.072 11.480 24.607 1.00 20.99 O ATOM 706 H GLY A 91 14.512 7.858 22.321 1.00 0.00 H ATOM 707 N GLN A 92 15.900 10.426 23.811 1.00 15.30 N ATOM 708 CA GLN A 92 16.898 11.314 24.468 1.00 19.25 C ATOM 709 C GLN A 92 17.309 12.427 23.580 1.00 19.75 C ATOM 710 O GLN A 92 17.320 13.540 24.054 1.00 28.24 O ATOM 711 CB GLN A 92 18.096 10.451 25.013 1.00 20.80 C ATOM 712 CG GLN A 92 19.172 11.312 25.622 1.00 25.92 C ATOM 713 CD GLN A 92 18.684 11.945 26.900 1.00 39.95 C ATOM 714 OE1 GLN A 92 17.811 11.374 27.625 1.00 47.01 O ATOM 715 NE2 GLN A 92 19.274 13.134 27.255 1.00 66.02 N ATOM 716 HE22 GLN A 92 19.985 13.568 26.632 1.00 0.00 H ATOM 717 HE21 GLN A 92 19.010 13.600 28.146 1.00 0.00 H ATOM 718 H GLN A 92 16.244 9.643 23.219 1.00 0.00 H ATOM 719 N CYS A 93 17.735 12.151 22.367 1.00 14.57 N ATOM 720 CA CYS A 93 18.418 13.131 21.518 1.00 13.88 C ATOM 721 C CYS A 93 17.654 13.543 20.300 1.00 13.18 C ATOM 722 O CYS A 93 18.093 14.462 19.588 1.00 15.00 O ATOM 723 CB CYS A 93 19.825 12.704 21.103 1.00 15.66 C ATOM 724 SG CYS A 93 19.834 11.423 19.821 1.00 13.48 S ATOM 725 H CYS A 93 17.580 11.193 21.993 1.00 0.00 H ATOM 726 N GLY A 94 16.536 12.880 20.014 1.00 12.09 N ATOM 727 CA GLY A 94 15.769 13.229 18.850 1.00 12.41 C ATOM 728 C GLY A 94 16.244 12.756 17.529 1.00 11.16 C ATOM 729 O GLY A 94 15.635 13.073 16.509 1.00 11.76 O ATOM 730 H GLY A 94 16.217 12.108 20.634 1.00 0.00 H ATOM 731 N SER A 95 17.292 11.938 17.474 1.00 10.95 N ATOM 732 CA SER A 95 17.694 11.320 16.221 1.00 10.90 C ATOM 733 C SER A 95 16.590 10.453 15.643 1.00 9.91 C ATOM 734 O SER A 95 15.834 9.827 16.379 1.00 10.21 O ATOM 735 CB SER A 95 18.959 10.481 16.430 1.00 13.75 C ATOM 736 OG SER A 95 20.021 11.391 16.610 1.00 14.62 O ATOM 737 HG SER A 95 19.838 11.958 17.401 1.00 0.00 H ATOM 738 H SER A 95 17.832 11.738 18.340 1.00 0.00 H ATOM 739 N HIS A 96 16.512 10.442 14.329 1.00 9.56 N ATOM 740 CA HIS A 96 15.517 9.595 13.675 1.00 9.60 C ATOM 741 C HIS A 96 16.061 8.199 13.596 1.00 9.11 C ATOM 742 O HIS A 96 16.973 7.922 12.818 1.00 10.71 O ATOM 743 CB HIS A 96 15.183 10.160 12.314 1.00 9.78 C ATOM 744 CG HIS A 96 14.265 9.254 11.533 1.00 10.12 C ATOM 745 ND1 HIS A 96 14.386 9.077 10.182 1.00 12.43 N ATOM 746 CD2 HIS A 96 13.274 8.428 11.969 1.00 10.52 C ATOM 747 CE1 HIS A 96 13.462 8.165 9.844 1.00 12.74 C ATOM 748 NE2 HIS A 96 12.779 7.769 10.889 1.00 11.43 N ATOM 749 H HIS A 96 17.153 11.031 13.761 1.00 0.00 H ATOM 750 N LEU A 97 15.527 7.300 14.428 1.00 9.04 N ATOM 751 CA LEU A 97 16.066 5.933 14.491 1.00 8.54 C ATOM 752 C LEU A 97 15.299 4.939 13.665 1.00 8.61 C ATOM 753 O LEU A 97 15.770 3.851 13.436 1.00 10.20 O ATOM 754 CB LEU A 97 16.119 5.471 15.946 1.00 9.78 C ATOM 755 CG LEU A 97 17.138 6.260 16.805 1.00 10.93 C ATOM 756 CD1 LEU A 97 17.217 5.618 18.177 1.00 13.06 C ATOM 757 CD2 LEU A 97 18.452 6.475 16.181 1.00 13.20 C ATOM 758 H LEU A 97 14.726 7.568 15.034 1.00 0.00 H ATOM 759 N GLY A 98 14.091 5.284 13.199 1.00 8.86 N ATOM 760 CA GLY A 98 13.333 4.383 12.291 1.00 9.48 C ATOM 761 C GLY A 98 11.857 4.580 12.462 1.00 8.88 C ATOM 762 O GLY A 98 11.371 5.701 12.478 1.00 9.76 O ATOM 763 H GLY A 98 13.677 6.197 13.477 1.00 0.00 H ATOM 764 N TRP A 99 11.167 3.433 12.517 1.00 8.86 N ATOM 765 CA TRP A 99 9.729 3.383 12.508 1.00 8.91 C ATOM 766 C TRP A 99 9.230 2.296 13.401 1.00 9.11 C ATOM 767 O TRP A 99 9.858 1.236 13.549 1.00 10.55 O ATOM 768 CB TRP A 99 9.172 3.153 11.085 1.00 10.30 C ATOM 769 CG TRP A 99 9.545 4.230 10.093 1.00 10.27 C ATOM 770 CD1 TRP A 99 8.765 5.293 9.767 1.00 11.76 C ATOM 771 CD2 TRP A 99 10.744 4.361 9.363 1.00 10.35 C ATOM 772 NE1 TRP A 99 9.414 6.082 8.868 1.00 12.46 N ATOM 773 CE2 TRP A 99 10.648 5.540 8.600 1.00 11.69 C ATOM 774 CE3 TRP A 99 11.911 3.632 9.289 1.00 11.26 C ATOM 775 CZ2 TRP A 99 11.612 5.973 7.750 1.00 13.05 C ATOM 776 CZ3 TRP A 99 12.936 4.083 8.440 1.00 11.70 C ATOM 777 CH2 TRP A 99 12.803 5.239 7.710 1.00 12.83 C ATOM 778 HE1 TRP A 99 9.036 6.956 8.450 1.00 0.00 H ATOM 779 H TRP A 99 11.695 2.538 12.569 1.00 0.00 H ATOM 780 N HIS A 100 8.021 2.483 13.939 1.00 9.54 N ATOM 781 CA HIS A 100 7.234 1.449 14.580 1.00 9.92 C ATOM 782 C HIS A 100 6.195 0.981 13.558 1.00 9.75 C ATOM 783 O HIS A 100 5.612 1.806 12.893 1.00 11.54 O ATOM 784 CB HIS A 100 6.600 1.995 15.825 1.00 10.81 C ATOM 785 CG HIS A 100 5.615 1.102 16.506 1.00 13.29 C ATOM 786 ND1 HIS A 100 4.270 1.045 16.201 1.00 16.80 N ATOM 787 CD2 HIS A 100 5.805 0.189 17.441 1.00 19.29 C ATOM 788 CE1 HIS A 100 3.658 0.194 16.975 1.00 18.29 C ATOM 789 NE2 HIS A 100 4.580 -0.326 17.766 1.00 19.04 N ATOM 790 H HIS A 100 7.616 3.440 13.894 1.00 0.00 H ATOM 791 N TYR A 101 5.952 -0.301 13.503 1.00 9.13 N ATOM 792 CA TYR A 101 4.947 -0.912 12.629 1.00 9.69 C ATOM 793 C TYR A 101 3.917 -1.602 13.454 1.00 9.67 C ATOM 794 O TYR A 101 4.189 -2.317 14.403 1.00 11.44 O ATOM 795 CB TYR A 101 5.655 -1.918 11.662 1.00 10.10 C ATOM 796 CG TYR A 101 6.453 -1.231 10.643 1.00 9.34 C ATOM 797 CD1 TYR A 101 5.961 -0.803 9.426 1.00 9.82 C ATOM 798 CD2 TYR A 101 7.819 -0.990 10.867 1.00 9.39 C ATOM 799 CE1 TYR A 101 6.707 -0.132 8.507 1.00 9.98 C ATOM 800 CE2 TYR A 101 8.577 -0.305 9.964 1.00 9.61 C ATOM 801 CZ TYR A 101 8.034 0.116 8.772 1.00 9.97 C ATOM 802 OH TYR A 101 8.807 0.789 7.888 1.00 11.02 O ATOM 803 HH TYR A 101 8.269 1.018 7.089 1.00 0.00 H ATOM 804 H TYR A 101 6.507 -0.928 14.119 1.00 0.00 H ATOM 805 N GLU A 102 2.668 -1.491 13.005 1.00 10.38 N ATOM 806 CA GLU A 102 1.536 -2.156 13.592 1.00 11.06 C ATOM 807 C GLU A 102 0.700 -2.760 12.517 1.00 11.24 C ATOM 808 O GLU A 102 0.491 -2.159 11.436 1.00 12.08 O ATOM 809 CB GLU A 102 0.734 -1.243 14.425 1.00 15.02 C ATOM 810 CG GLU A 102 0.035 -0.178 13.724 1.00 19.19 C ATOM 811 CD GLU A 102 -0.510 0.906 14.695 1.00 28.78 C ATOM 812 OE1 GLU A 102 -1.708 0.975 15.041 1.00 32.48 O ATOM 813 OE2 GLU A 102 0.225 1.772 15.082 1.00 25.53 O ATOM 814 H GLU A 102 2.501 -0.885 12.177 1.00 0.00 H ATOM 815 N GLY A 103 0.174 -3.979 12.732 1.00 11.85 N ATOM 816 CA GLY A 103 -0.570 -4.618 11.679 1.00 11.88 C ATOM 817 C GLY A 103 -1.815 -3.848 11.358 1.00 12.93 C ATOM 818 O GLY A 103 -2.471 -3.293 12.207 1.00 15.25 O ATOM 819 H GLY A 103 0.303 -4.454 13.648 1.00 0.00 H ATOM 820 N GLY A 104 -2.165 -3.789 10.086 1.00 13.17 N ATOM 821 CA GLY A 104 -3.412 -3.246 9.624 1.00 13.93 C ATOM 822 C GLY A 104 -4.600 -4.126 9.873 1.00 11.64 C ATOM 823 O GLY A 104 -5.724 -3.589 9.909 1.00 13.46 O ATOM 824 H GLY A 104 -1.499 -4.157 9.377 1.00 0.00 H ATOM 825 N SER A 105 -4.393 -5.424 10.041 1.00 12.97 N ATOM 826 CA SER A 105 -5.492 -6.321 10.235 1.00 14.19 C ATOM 827 C SER A 105 -5.272 -7.265 11.404 1.00 13.87 C ATOM 828 O SER A 105 -6.139 -8.105 11.643 1.00 15.04 O ATOM 829 CB SER A 105 -5.759 -7.055 8.943 1.00 16.55 C ATOM 830 OG SER A 105 -6.226 -6.075 7.979 1.00 18.74 O ATOM 831 HG SER A 105 -6.411 -6.524 7.117 1.00 0.00 H ATOM 832 H SER A 105 -3.422 -5.795 10.032 1.00 0.00 H ATOM 833 N GLN A 106 -4.152 -7.181 12.095 1.00 16.11 N ATOM 834 CA GLN A 106 -3.911 -7.981 13.287 1.00 18.16 C ATOM 835 C GLN A 106 -2.951 -7.190 14.187 1.00 17.00 C ATOM 836 O GLN A 106 -2.309 -6.256 13.692 1.00 16.91 O ATOM 837 CB GLN A 106 -3.416 -9.294 12.902 1.00 22.01 C ATOM 838 CG GLN A 106 -2.361 -9.353 11.972 1.00 22.73 C ATOM 839 CD GLN A 106 -1.025 -8.933 12.509 1.00 21.61 C ATOM 840 OE1 GLN A 106 -0.716 -9.173 13.726 1.00 23.92 O ATOM 841 NE2 GLN A 106 -0.185 -8.408 11.669 1.00 27.23 N ATOM 842 HE22 GLN A 106 -0.476 -8.228 10.687 1.00 0.00 H ATOM 843 HE21 GLN A 106 0.778 -8.167 11.979 1.00 0.00 H ATOM 844 H GLN A 106 -3.415 -6.520 11.777 1.00 0.00 H ATOM 845 N PRO A 107 -2.887 -7.547 15.456 1.00 17.69 N ATOM 846 CA PRO A 107 -2.300 -6.553 16.415 1.00 20.92 C ATOM 847 C PRO A 107 -0.798 -6.620 16.587 1.00 19.08 C ATOM 848 O PRO A 107 -0.315 -5.785 17.448 1.00 21.72 O ATOM 849 CB PRO A 107 -3.086 -6.865 17.665 1.00 27.38 C ATOM 850 CG PRO A 107 -3.314 -8.348 17.529 1.00 25.58 C ATOM 851 CD PRO A 107 -3.689 -8.543 16.184 1.00 21.44 C ATOM 852 N GLN A 108 -0.079 -7.512 15.773 1.00 17.02 N ATOM 853 CA GLN A 108 1.365 -7.549 15.919 1.00 19.10 C ATOM 854 C GLN A 108 2.011 -6.290 15.622 1.00 12.38 C ATOM 855 O GLN A 108 1.634 -5.555 14.730 1.00 13.39 O ATOM 856 CB GLN A 108 1.946 -8.644 15.009 1.00 25.76 C ATOM 857 H GLN A 108 -0.565 -8.126 15.088 1.00 0.00 H ATOM 858 N THR A 109 3.140 -6.064 16.306 1.00 12.37 N ATOM 859 CA THR A 109 3.922 -4.867 16.155 1.00 11.52 C ATOM 860 C THR A 109 5.415 -5.241 16.093 1.00 10.87 C ATOM 861 O THR A 109 5.825 -6.259 16.609 1.00 12.97 O ATOM 862 CB THR A 109 3.723 -3.871 17.308 1.00 13.42 C ATOM 863 OG1 THR A 109 4.199 -4.388 18.499 1.00 16.79 O ATOM 864 CG2 THR A 109 2.297 -3.416 17.426 1.00 14.32 C ATOM 865 HG1 THR A 109 5.166 -4.582 18.410 1.00 0.00 H ATOM 866 H THR A 109 3.466 -6.788 16.978 1.00 0.00 H ATOM 867 N PHE A 110 6.185 -4.331 15.497 1.00 10.15 N ATOM 868 CA PHE A 110 7.652 -4.483 15.480 1.00 9.67 C ATOM 869 C PHE A 110 8.215 -3.136 15.140 1.00 9.26 C ATOM 870 O PHE A 110 7.516 -2.174 14.824 1.00 10.87 O ATOM 871 CB PHE A 110 8.090 -5.591 14.521 1.00 9.52 C ATOM 872 CG PHE A 110 7.826 -5.323 13.085 1.00 9.84 C ATOM 873 CD1 PHE A 110 6.628 -5.668 12.531 1.00 10.81 C ATOM 874 CD2 PHE A 110 8.750 -4.730 12.269 1.00 10.67 C ATOM 875 CE1 PHE A 110 6.350 -5.420 11.160 1.00 11.94 C ATOM 876 CE2 PHE A 110 8.530 -4.505 10.954 1.00 11.33 C ATOM 877 CZ PHE A 110 7.286 -4.831 10.395 1.00 11.73 C ATOM 878 H PHE A 110 5.747 -3.506 15.040 1.00 0.00 H ATOM 879 N PHE A 111 9.566 -3.041 15.174 1.00 8.90 N ATOM 880 CA PHE A 111 10.255 -1.838 14.831 1.00 9.37 C ATOM 881 C PHE A 111 11.132 -2.068 13.629 1.00 9.33 C ATOM 882 O PHE A 111 11.765 -3.127 13.528 1.00 10.92 O ATOM 883 CB PHE A 111 11.117 -1.356 16.033 1.00 10.25 C ATOM 884 CG PHE A 111 10.329 -1.016 17.238 1.00 10.93 C ATOM 885 CD1 PHE A 111 9.902 -2.067 18.131 1.00 13.15 C ATOM 886 CD2 PHE A 111 10.031 0.306 17.478 1.00 13.40 C ATOM 887 CE1 PHE A 111 9.173 -1.742 19.220 1.00 15.40 C ATOM 888 CE2 PHE A 111 9.276 0.621 18.642 1.00 16.76 C ATOM 889 CZ PHE A 111 8.903 -0.406 19.475 1.00 16.80 C ATOM 890 H PHE A 111 10.121 -3.873 15.460 1.00 0.00 H ATOM 891 N GLY A 112 11.173 -1.092 12.738 1.00 8.67 N ATOM 892 CA GLY A 112 12.167 -1.106 11.666 1.00 9.03 C ATOM 893 C GLY A 112 13.111 -0.005 11.944 1.00 8.13 C ATOM 894 O GLY A 112 12.756 1.187 11.774 1.00 9.56 O ATOM 895 H GLY A 112 10.493 -0.308 12.800 1.00 0.00 H ATOM 896 N LEU A 113 14.330 -0.331 12.394 1.00 8.27 N ATOM 897 CA LEU A 113 15.277 0.665 12.842 1.00 8.58 C ATOM 898 C LEU A 113 16.403 0.814 11.802 1.00 9.20 C ATOM 899 O LEU A 113 16.781 -0.130 11.147 1.00 9.93 O ATOM 900 CB LEU A 113 15.799 0.329 14.211 1.00 9.46 C ATOM 901 CG LEU A 113 14.761 0.197 15.292 1.00 9.99 C ATOM 902 CD1 LEU A 113 15.419 -0.161 16.603 1.00 12.04 C ATOM 903 CD2 LEU A 113 13.882 1.388 15.452 1.00 11.73 C ATOM 904 H LEU A 113 14.604 -1.334 12.422 1.00 0.00 H ATOM 905 N ILE A 114 16.913 2.012 11.698 1.00 8.75 N ATOM 906 CA ILE A 114 17.943 2.326 10.709 1.00 9.42 C ATOM 907 C ILE A 114 19.290 1.884 11.243 1.00 9.06 C ATOM 908 O ILE A 114 19.796 2.482 12.208 1.00 10.00 O ATOM 909 CB ILE A 114 17.891 3.804 10.382 1.00 9.96 C ATOM 910 CG1 ILE A 114 16.523 4.207 9.831 1.00 9.96 C ATOM 911 CG2 ILE A 114 19.009 4.135 9.383 1.00 11.60 C ATOM 912 CD1 ILE A 114 16.271 5.695 9.866 1.00 11.10 C ATOM 913 H ILE A 114 16.578 2.762 12.335 1.00 0.00 H ATOM 914 N LYS A 115 19.847 0.820 10.687 1.00 9.54 N ATOM 915 CA LYS A 115 21.029 0.217 11.249 1.00 10.47 C ATOM 916 C LYS A 115 22.176 1.173 11.475 1.00 11.19 C ATOM 917 O LYS A 115 22.847 1.147 12.475 1.00 12.27 O ATOM 918 CB LYS A 115 21.458 -0.982 10.407 1.00 11.59 C ATOM 919 CG LYS A 115 22.738 -1.656 10.828 1.00 12.66 C ATOM 920 CD LYS A 115 22.680 -2.269 12.188 1.00 13.80 C ATOM 921 CE LYS A 115 23.825 -3.227 12.391 1.00 16.77 C ATOM 922 NZ LYS A 115 25.063 -2.494 12.474 1.00 16.41 N ATOM 923 HZ1 LYS A 115 25.210 -1.963 11.592 1.00 0.00 H ATOM 924 HZ2 LYS A 115 25.020 -1.833 13.276 1.00 0.00 H ATOM 925 HZ3 LYS A 115 25.850 -3.160 12.614 1.00 0.00 H ATOM 926 H LYS A 115 19.424 0.412 9.829 1.00 0.00 H ATOM 927 N ASP A 116 22.367 2.044 10.483 1.00 11.70 N ATOM 928 CA ASP A 116 23.526 2.946 10.523 1.00 14.08 C ATOM 929 C ASP A 116 23.335 4.039 11.567 1.00 15.31 C ATOM 930 O ASP A 116 24.278 4.768 11.825 1.00 21.64 O ATOM 931 CB ASP A 116 23.792 3.434 9.070 1.00 19.70 C ATOM 932 CG ASP A 116 24.145 2.271 8.106 1.00 24.81 C ATOM 933 OD1 ASP A 116 25.033 1.472 8.421 1.00 23.36 O ATOM 934 OD2 ASP A 116 23.265 1.809 7.213 1.00 34.14 O ATOM 935 H ASP A 116 21.700 2.084 9.686 1.00 0.00 H ATOM 936 N ARG A 117 22.151 4.187 12.159 1.00 12.33 N ATOM 937 CA ARG A 117 21.887 5.136 13.231 1.00 13.67 C ATOM 938 C ARG A 117 22.018 4.472 14.631 1.00 12.00 C ATOM 939 O ARG A 117 21.766 5.161 15.612 1.00 14.01 O ATOM 940 CB ARG A 117 20.518 5.742 13.104 1.00 15.25 C ATOM 941 CG ARG A 117 20.327 6.547 11.803 1.00 20.91 C ATOM 942 CD ARG A 117 20.153 7.876 11.896 1.00 24.13 C ATOM 943 NE ARG A 117 20.211 8.445 10.540 1.00 27.98 N ATOM 944 CZ ARG A 117 19.208 8.899 9.826 1.00 21.66 C ATOM 945 NH1 ARG A 117 18.006 8.913 10.276 1.00 15.73 N ATOM 946 NH2 ARG A 117 19.472 9.445 8.622 1.00 25.94 N ATOM 947 HE ARG A 117 21.151 8.493 10.099 1.00 0.00 H ATOM 948 HH12 ARG A 117 17.233 9.280 9.684 1.00 0.00 H ATOM 949 HH11 ARG A 117 17.805 8.558 11.232 1.00 0.00 H ATOM 950 HH22 ARG A 117 18.695 9.812 8.036 1.00 0.00 H ATOM 951 HH21 ARG A 117 20.452 9.499 8.279 1.00 0.00 H ATOM 952 H ARG A 117 21.366 3.587 11.835 1.00 0.00 H ATOM 953 N LEU A 118 22.389 3.208 14.643 1.00 11.83 N ATOM 954 CA LEU A 118 22.608 2.458 15.881 1.00 11.77 C ATOM 955 C LEU A 118 24.050 2.085 15.988 1.00 12.67 C ATOM 956 O LEU A 118 24.719 1.944 14.981 1.00 16.50 O ATOM 957 CB LEU A 118 21.713 1.181 15.873 1.00 11.17 C ATOM 958 CG LEU A 118 20.217 1.414 15.716 1.00 11.83 C ATOM 959 CD1 LEU A 118 19.519 0.084 15.527 1.00 12.94 C ATOM 960 CD2 LEU A 118 19.616 2.173 16.877 1.00 15.18 C ATOM 961 H LEU A 118 22.532 2.722 13.735 1.00 0.00 H ATOM 962 N ALA A 119 24.495 1.896 17.214 1.00 12.62 N ATOM 963 CA ALA A 119 25.767 1.332 17.536 1.00 13.52 C ATOM 964 C ALA A 119 25.526 0.016 18.255 1.00 13.54 C ATOM 965 O ALA A 119 24.857 -0.007 19.254 1.00 15.31 O ATOM 966 CB ALA A 119 26.536 2.297 18.474 1.00 16.30 C ATOM 967 H ALA A 119 23.877 2.177 18.002 1.00 0.00 H ATOM 968 N GLU A 120 26.164 -1.026 17.770 1.00 13.94 N ATOM 969 CA GLU A 120 26.012 -2.356 18.391 1.00 14.50 C ATOM 970 C GLU A 120 27.255 -2.631 19.228 1.00 14.25 C ATOM 971 O GLU A 120 28.353 -2.402 18.796 1.00 19.05 O ATOM 972 CB GLU A 120 25.893 -3.429 17.308 1.00 16.32 C ATOM 973 CG GLU A 120 25.442 -4.743 17.884 1.00 17.43 C ATOM 974 CD GLU A 120 25.284 -5.890 16.956 1.00 17.39 C ATOM 975 OE1 GLU A 120 25.417 -5.751 15.734 1.00 19.64 O ATOM 976 OE2 GLU A 120 24.942 -6.966 17.484 1.00 18.75 O ATOM 977 H GLU A 120 26.782 -0.912 16.941 1.00 0.00 H ATOM 978 N GLY A 121 27.033 -3.143 20.429 1.00 15.26 N ATOM 979 CA GLY A 121 28.162 -3.477 21.309 1.00 17.89 C ATOM 980 C GLY A 121 27.700 -4.246 22.475 1.00 16.27 C ATOM 981 O GLY A 121 26.574 -4.568 22.648 1.00 16.15 O ATOM 982 H GLY A 121 26.058 -3.309 20.750 1.00 0.00 H ATOM 983 N PRO A 122 28.636 -4.566 23.346 1.00 19.33 N ATOM 984 CA PRO A 122 28.371 -5.408 24.468 1.00 18.68 C ATOM 985 C PRO A 122 27.553 -4.715 25.540 1.00 18.28 C ATOM 986 O PRO A 122 27.413 -3.461 25.552 1.00 19.93 O ATOM 987 CB PRO A 122 29.830 -5.780 24.994 1.00 31.16 C ATOM 988 CG PRO A 122 30.587 -4.519 24.649 1.00 85.51 C ATOM 989 CD PRO A 122 30.078 -4.224 23.278 1.00 28.32 C ATOM 990 N ALA A 123 26.947 -5.516 26.364 1.00 21.67 N ATOM 991 CA ALA A 123 26.194 -4.931 27.493 1.00 23.76 C ATOM 992 C ALA A 123 27.160 -3.973 28.332 1.00 30.01 C ATOM 993 O ALA A 123 26.820 -2.814 28.702 1.00 30.60 O ATOM 994 CB ALA A 123 25.639 -5.985 28.356 1.00 39.52 C ATOM 995 H ALA A 123 26.991 -6.547 26.232 1.00 0.00 H ATOM 996 N ASP A 124 28.307 -4.371 28.552 1.00 29.31 N ATOM 997 CA ASP A 124 29.078 -3.639 29.543 1.00 42.69 C ATOM 998 C ASP A 124 28.393 -3.080 30.909 1.00 48.13 C ATOM 999 O ASP A 124 28.342 -1.888 31.408 1.00 48.73 O ATOM 1000 CB ASP A 124 29.812 -2.480 28.892 1.00 41.64 C ATOM 1001 CG ASP A 124 30.970 -2.944 27.971 1.00 48.88 C ATOM 1002 OD1 ASP A 124 31.294 -4.157 27.976 1.00 42.94 O ATOM 1003 OD2 ASP A 124 31.475 -2.100 27.208 1.00 69.32 O ATOM 1004 OXT ASP A 124 27.907 -3.789 31.739 1.00 25.75 O ATOM 1005 H ASP A 124 28.704 -5.192 28.052 1.00 0.00 H TER 1006 ASP A 124 HETATM 1007 ZN ZN A 1 19.912 9.377 20.887 1.00 13.19 ZN HETATM 1008 O HOH 2 21.266 1.889 8.054 1.00 15.44 O HETATM 1009 O HOH 3 24.020 0.905 5.339 1.00 36.71 O HETATM 1010 O HOH 4 10.079 2.851 26.299 1.00 33.31 O HETATM 1011 O HOH 5 30.315 -6.163 28.502 1.00 59.28 O HETATM 1012 O HOH 6 3.193 8.116 10.262 1.00 29.25 O HETATM 1013 O HOH 7 3.544 8.284 -1.473 1.00 41.57 O HETATM 1014 O HOH 8 28.405 -6.105 31.509 1.00 52.51 O HETATM 1015 O HOH 9 24.578 14.387 20.523 1.00 64.30 O HETATM 1016 O HOH 10 27.129 0.293 8.201 1.00 40.23 O HETATM 1017 O HOH 11 3.353 -10.764 9.761 1.00 29.91 O HETATM 1018 O HOH 12 27.135 -0.865 33.364 1.00 26.73 O HETATM 1019 O HOH 13 29.041 4.703 16.999 1.00 30.48 O HETATM 1020 O HOH 14 1.345 0.790 1.248 1.00 45.55 O HETATM 1021 O HOH 15 23.369 2.684 26.847 1.00 33.81 O HETATM 1022 O HOH 16 5.414 11.969 20.920 1.00 33.83 O HETATM 1023 O HOH 17 24.915 -0.678 14.375 1.00 33.18 O HETATM 1024 O HOH 18 26.572 -4.485 13.721 1.00 20.58 O HETATM 1025 O HOH 19 27.333 -8.306 26.246 1.00 37.95 O HETATM 1026 O HOH 20 -2.831 -3.135 14.828 1.00 21.52 O HETATM 1027 O HOH 21 20.716 -10.442 6.947 1.00 34.18 O HETATM 1028 O HOH 22 18.750 -13.491 24.819 1.00 41.25 O HETATM 1029 O HOH 23 1.909 9.200 5.075 1.00 35.01 O HETATM 1030 O HOH 24 30.893 -3.243 19.029 1.00 50.45 O HETATM 1031 O HOH 25 -7.860 -7.514 6.405 1.00 38.81 O HETATM 1032 O HOH 26 12.184 -5.490 1.485 1.00 91.85 O HETATM 1033 O HOH 27 4.406 8.977 11.990 1.00 20.99 O HETATM 1034 O HOH 28 16.113 -14.249 18.769 1.00 27.63 O HETATM 1035 O HOH 29 22.155 -15.131 21.837 1.00 36.66 O HETATM 1036 O HOH 30 20.459 15.997 19.724 1.00 51.23 O HETATM 1037 O HOH 31 9.966 -3.983 1.354 1.00 26.76 O HETATM 1038 O HOH 32 2.819 -1.413 1.276 1.00 42.17 O HETATM 1039 O HOH 33 -3.102 1.531 5.890 1.00 41.99 O HETATM 1040 O HOH 34 16.326 -13.245 16.419 1.00 30.31 O HETATM 1041 O HOH 35 4.469 -8.009 5.849 1.00 42.63 O HETATM 1042 O HOH 36 -2.924 -0.367 11.863 1.00 30.77 O HETATM 1043 O HOH 37 27.265 2.494 9.643 1.00 39.94 O HETATM 1044 O HOH 38 10.032 -10.810 20.758 1.00 20.39 O HETATM 1045 O HOH 39 -1.223 -3.222 17.068 1.00 31.05 O HETATM 1046 O HOH 40 6.540 -4.484 19.931 1.00284.15 O HETATM 1047 O HOH 41 12.923 14.163 -2.916 1.00 48.05 O HETATM 1048 O HOH 42 15.333 -8.034 2.536 1.00 51.43 O HETATM 1049 O HOH 43 17.608 10.399 -3.690 1.00 29.38 O HETATM 1050 O HOH 44 20.047 -6.717 2.477 1.00 35.92 O HETATM 1051 O HOH 45 24.819 10.605 26.402 1.00101.79 O HETATM 1052 O HOH 46 2.699 2.132 13.864 1.00 17.63 O HETATM 1053 O HOH 47 7.207 -12.153 7.575 1.00 40.81 O HETATM 1054 O HOH 48 6.036 -6.040 2.031 1.00 35.01 O HETATM 1055 O HOH 49 27.794 11.830 18.630 1.00 42.14 O HETATM 1056 O HOH 50 19.251 14.522 16.859 1.00 27.26 O HETATM 1057 O HOH 51 9.273 1.413 22.555 1.00 36.17 O HETATM 1058 O HOH 52 26.410 -0.114 21.660 1.00 24.79 O HETATM 1059 O HOH 53 -3.904 -5.107 6.731 1.00 48.54 O HETATM 1060 O HOH 54 21.628 7.965 15.810 1.00 17.40 O HETATM 1061 O HOH 55 -8.517 -9.570 11.258 1.00 24.48 O HETATM 1062 O HOH 56 -3.512 6.946 11.550 1.00 32.77 O HETATM 1063 O HOH 57 6.836 -7.941 18.786 1.00 64.96 O HETATM 1064 O HOH 58 4.354 -1.933 20.090 1.00 32.15 O HETATM 1065 O HOH 59 19.014 -12.806 16.639 1.00 25.81 O HETATM 1066 O HOH 60 9.015 -2.756 22.747 1.00 21.78 O HETATM 1067 O HOH 61 -3.967 -0.741 15.330 1.00 22.42 O HETATM 1068 O HOH 62 28.329 -7.079 21.177 1.00 33.11 O HETATM 1069 O HOH 63 12.812 12.780 21.287 1.00 25.83 O HETATM 1070 O HOH 64 17.256 -5.594 1.073 1.00 29.12 O HETATM 1071 O HOH 65 13.489 7.816 26.277 1.00 45.75 O HETATM 1072 O HOH 66 -1.989 -6.957 9.287 1.00 20.18 O HETATM 1073 O HOH 67 3.009 13.239 17.503 1.00 25.60 O HETATM 1074 O HOH 68 6.111 7.234 22.086 1.00 23.34 O HETATM 1075 O HOH 69 23.352 -11.156 21.241 1.00 29.36 O HETATM 1076 O HOH 70 20.679 3.495 6.293 1.00 19.60 O HETATM 1077 O HOH 71 24.248 -5.186 3.983 1.00 44.70 O HETATM 1078 O HOH 72 15.196 10.815 7.979 1.00 23.52 O HETATM 1079 O HOH 73 20.046 4.087 27.960 1.00 29.82 O HETATM 1080 O HOH 74 -1.350 -1.696 6.445 1.00 42.11 O HETATM 1081 O HOH 75 1.181 12.198 11.043 1.00 44.03 O HETATM 1082 O HOH 76 3.428 -7.944 18.549 1.00 31.95 O HETATM 1083 O HOH 77 20.058 5.988 5.798 1.00 48.12 O HETATM 1084 O HOH 78 20.933 -9.609 22.318 1.00 17.46 O HETATM 1085 O HOH 79 0.408 -2.126 3.769 1.00 54.54 O HETATM 1086 O HOH 80 7.134 8.439 2.947 1.00 46.45 O HETATM 1087 O HOH 81 19.380 8.649 0.783 1.00 34.89 O HETATM 1088 O HOH 82 10.193 3.315 23.662 1.00 22.50 O HETATM 1089 O HOH 83 24.297 7.751 12.078 1.00 41.82 O HETATM 1090 O HOH 84 16.384 3.280 27.128 1.00 30.01 O HETATM 1091 O HOH 85 26.595 5.210 20.902 1.00 67.63 O HETATM 1092 O HOH 86 2.412 9.257 18.052 1.00 46.09 O HETATM 1093 O HOH 87 15.526 -13.798 3.349 1.00 48.82 O HETATM 1094 O HOH 88 1.393 5.081 16.637 1.00 50.88 O HETATM 1095 O HOH 89 22.199 -8.746 8.224 1.00 33.12 O HETATM 1096 O HOH 90 26.071 -0.143 10.811 1.00 23.61 O HETATM 1097 O HOH 91 -1.617 -11.807 14.997 1.00 29.18 O HETATM 1098 O HOH 92 24.683 -11.060 28.517 1.00 50.20 O HETATM 1099 O HOH 93 29.363 0.444 18.181 1.00 38.57 O HETATM 1100 O HOH 94 20.434 -8.880 3.836 1.00 50.51 O HETATM 1101 O HOH 95 8.833 10.069 1.177 1.00 28.43 O HETATM 1102 O HOH 96 6.975 9.628 -5.309 1.00 40.81 O HETATM 1103 O HOH 97 21.702 6.848 7.876 1.00 56.82 O HETATM 1104 O HOH 98 -2.083 8.296 6.103 1.00 50.63 O HETATM 1105 O HOH 99 14.635 -6.210 0.920 1.00 87.45 O HETATM 1106 O HOH 100 -2.291 1.688 2.885 1.00 58.93 O HETATM 1107 O HOH 101 20.762 -13.118 26.647 1.00 54.91 O HETATM 1108 O HOH 102 28.973 0.597 20.707 1.00 44.47 O HETATM 1109 O HOH 103 19.183 1.911 29.702 1.00111.41 O HETATM 1110 O HOH 104 0.502 11.728 5.653 1.00 50.68 O HETATM 1111 O HOH 105 27.764 -2.475 6.053 1.00 43.80 O HETATM 1112 O HOH 106 4.866 15.121 25.901 1.00 22.84 O HETATM 1113 O HOH 107 10.990 -15.981 2.819 1.00 57.78 O HETATM 1114 O HOH 108 7.721 12.284 -2.697 1.00 75.05 O HETATM 1115 O HOH 109 0.273 11.646 17.884 1.00 49.24 O HETATM 1116 O HOH 110 8.792 -7.454 3.677 1.00 45.02 O HETATM 1117 O HOH 111 -2.226 -4.049 2.741 1.00 47.70 O HETATM 1118 O HOH 112 10.368 -8.751 2.270 1.00 53.89 O HETATM 1119 O HOH 113 29.500 7.298 16.584 1.00 48.26 O HETATM 1120 O HOH 114 24.640 -13.283 12.730 1.00 39.61 O HETATM 1121 O HOH 115 8.708 -15.587 6.733 1.00 31.49 O HETATM 1122 O HOH 116 -4.296 4.919 8.394 1.00 52.61 O HETATM 1123 O HOH 117 -2.259 -7.067 3.946 1.00 54.24 O HETATM 1124 O HOH 118 5.009 10.635 4.622 1.00 78.50 O HETATM 1125 O HOH 119 6.019 11.622 7.034 1.00 50.57 O HETATM 1126 O HOH 120 -4.933 -11.880 11.556 1.00 40.13 O HETATM 1127 O HOH 121 26.460 -11.560 18.286 1.00 53.04 O HETATM 1128 O HOH 122 0.422 -0.780 18.125 1.00 42.92 O HETATM 1129 O HOH 123 22.105 11.761 6.638 1.00 61.77 O HETATM 1130 O HOH 124 -2.769 -7.885 6.704 1.00 49.40 O HETATM 1131 O HOH 125 6.518 -3.051 21.621 1.00 33.93 O HETATM 1132 O HOH 126 17.603 -0.689 29.014 1.00 26.28 O HETATM 1133 O HOH 127 3.968 10.967 9.646 1.00 34.04 O HETATM 1134 O HOH 128 4.536 -10.400 7.460 1.00 39.27 O HETATM 1135 O HOH 129 18.416 10.449 2.914 1.00120.61 O HETATM 1136 O HOH 130 1.945 2.201 20.168 1.00 56.93 O HETATM 1137 O HOH 131 5.887 1.904 21.429 1.00 51.62 O HETATM 1138 O HOH 132 4.843 10.351 -3.448 1.00 45.71 O HETATM 1139 O HOH 133 1.047 -1.998 20.871 1.00 60.57 O HETATM 1140 O HOH 134 22.332 14.206 23.868 1.00 46.51 O HETATM 1141 O HOH 135 26.946 8.661 12.504 1.00 40.56 O HETATM 1142 O HOH 136 -5.758 -11.241 8.069 1.00 51.27 O HETATM 1143 O HOH 137 27.475 3.328 21.913 1.00 59.90 O HETATM 1144 O HOH 138 24.388 -15.499 23.213 1.00 59.28 O HETATM 1145 O HOH 139 3.815 5.650 21.789 1.00 50.46 O HETATM 1146 O HOH 140 3.600 -9.917 19.384 1.00 41.49 O HETATM 1147 O HOH 141 0.196 -10.120 20.214 1.00 58.83 O HETATM 1148 O JP A 5 8.021 5.375 2.957 1.00 -0.38 O HETATM 1149 C JP A 5 8.083 4.715 3.988 1.00 0.23 C HETATM 1150 ND2 JP A 5 7.695 3.406 4.062 1.00 -0.20 N HETATM 1151 CG JP A 5 7.781 2.914 5.328 1.00 0.21 C HETATM 1152 OD1 JP A 5 7.528 1.792 5.645 1.00 -0.39 O HETATM 1153 CB JP A 5 8.248 4.009 6.275 1.00 0.08 C HETATM 1154 CA JP A 5 8.627 5.129 5.307 1.00 0.15 C HETATM 1155 N JP A 5 8.209 6.462 5.689 1.00 -0.24 N HETATM 1156 CAI JP A 5 8.892 7.505 5.406 1.00 0.32 C HETATM 1157 OAK JP A 5 10.045 7.519 4.925 1.00 -0.38 O HETATM 1158 OAJ JP A 5 8.241 8.661 5.688 1.00 -0.25 O HETATM 1159 CAL JP A 5 8.858 9.938 5.528 1.00 0.11 C HETATM 1160 CAM JP A 5 9.865 10.227 6.568 1.00 -0.01 C HETATM 1161 CAN JP A 5 11.167 10.473 6.190 1.00 -0.06 C HETATM 1162 CAO JP A 5 12.087 10.720 7.060 1.00 -0.07 C HETATM 1163 CAP JP A 5 11.906 10.869 8.474 1.00 -0.07 C HETATM 1164 CAQ JP A 5 10.543 10.655 8.807 1.00 -0.07 C HETATM 1165 CAR JP A 5 9.618 10.277 7.907 1.00 -0.06 C HETATM 1166 H12 JP A 5 8.632 10.000 8.263 1.00 0.06 H HETATM 1167 H11 JP A 5 10.233 10.803 9.835 1.00 0.06 H HETATM 1168 H10 JP A 5 12.691 11.109 9.182 1.00 0.06 H HETATM 1169 H9 JP A 5 13.098 10.825 6.684 1.00 0.06 H HETATM 1170 H8 JP A 5 11.424 10.459 5.137 1.00 0.06 H HETATM 1171 H6 JP A 5 8.078 10.712 5.571 1.00 0.08 H HETATM 1172 H7 JP A 5 9.351 9.968 4.545 1.00 0.08 H HETATM 1173 H5 JP A 5 7.353 6.571 6.194 1.00 0.19 H HETATM 1174 H4 JP A 5 9.725 5.156 5.238 1.00 0.08 H HETATM 1175 H2 JP A 5 9.116 3.682 6.867 1.00 0.06 H HETATM 1176 H3 JP A 5 7.440 4.323 6.952 1.00 0.06 H HETATM 1177 H1 JP A 5 7.384 2.872 3.276 1.00 0.23 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 60 59 1007 CONECT 96 95 1007 CONECT 700 699 1007 CONECT 724 723 1007 CONECT 1007 60 96 700 724 CONECT 1148 1149 CONECT 1149 1148 1150 1154 CONECT 1150 1149 1151 1177 CONECT 1151 1150 1152 1153 CONECT 1152 1151 CONECT 1153 1151 1154 1175 1176 CONECT 1154 1149 1153 1155 1174 CONECT 1155 1154 1156 1173 CONECT 1156 1155 1157 1158 CONECT 1157 1156 CONECT 1158 1156 1159 CONECT 1159 1158 1160 1171 1172 CONECT 1160 1159 1161 1165 CONECT 1161 1160 1162 1170 CONECT 1162 1161 1163 1169 CONECT 1163 1162 1164 1168 CONECT 1164 1163 1165 1167 CONECT 1165 1160 1164 1166 CONECT 1166 1165 CONECT 1167 1164 CONECT 1168 1163 CONECT 1169 1162 CONECT 1170 1161 CONECT 1171 1159 CONECT 1172 1159 CONECT 1173 1155 CONECT 1174 1154 CONECT 1175 1153 CONECT 1176 1153 CONECT 1177 1150 MASTER 0 0 0 0 0 0 0 0 1176 1 39 9 END
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Related entries of code: 6r1d
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5oh1
RCSB PDB
PDBbind
125aa, >5OH1_1|Chains... *
5oh2
RCSB PDB
PDBbind
125aa, >5OH2_1|Chains... at 100%
5oh3
RCSB PDB
PDBbind
125aa, >5OH3_1|Chains... at 100%
5oh4
RCSB PDB
PDBbind
125aa, >5OH4_1|Chains... at 100%
5oh7
RCSB PDB
PDBbind
125aa, >5OH7_1|Chains... at 100%
5oh9
RCSB PDB
PDBbind
125aa, >5OH9_1|Chains... at 100%
5oha
RCSB PDB
PDBbind
125aa, >5OHA_1|Chains... at 100%
6r1x
RCSB PDB
PDBbind
125aa, >6R1X_1|Chains... at 100%
6r1w
RCSB PDB
PDBbind
125aa, >6R1W_1|Chains... at 100%
6r1k
RCSB PDB
PDBbind
125aa, >6R1K_1|Chains... at 100%
6r1c
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%
6r0s
RCSB PDB
PDBbind
125aa, >6R0S_1|Chains... at 100%
6r0u
RCSB PDB
PDBbind
125aa, >6R0U_1|Chains... at 100%
6r0v
RCSB PDB
PDBbind
125aa, >6R0V_1|Chains... at 100%
6r11
RCSB PDB
PDBbind
125aa, >6R11_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
6r1d
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cereblon isoform 4
Ligand Name
JP5
EC.Number
E.C.-.-.-.-
Resolution
1.1(Å)
Affinity (Kd/Ki/IC50)
Ki=4uM
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
1
2
N
2
O
4
Molecular Weight
248.235
Exact Mass
248.080
No. of atoms
30
No. of bonds
31
Polar Surface Area
84.5
LOGP Value
0.31 (
Computed with XLOGP3
)
1.05 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
Canonical SMILES
O=C(N[C@H]1CC(=O)NC1=O)OCc1ccccc1
InChI String
InChI=1S/C12H12N2O4/c15-10-6-9(11(16)14-10)13-12(17)18-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,14,15,16)/t9-/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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