Browse entries in the PDBbind-CN Database
HEADER 2W10_COMPLEX COMPND 2W10_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 60 LEU GLY SER VAL ARG TRP ALA ARG ALA LEU TYR ASP PHE SEQRES 2 A 60 GLU ALA LEU GLU GLU ASP GLU LEU GLY PHE ARG SER GLY SEQRES 3 A 60 GLU VAL VAL GLU VAL LEU ASP SER SER ASN PRO SER TRP SEQRES 4 A 60 TRP THR GLY ARG LEU HIS ASN LYS LEU GLY LEU PHE PRO SEQRES 5 A 60 ALA ASN TYR VAL ALA PRO MET MET HET PRO A 123 195 ATOM 1 N LEU A 2 -15.115 1.671 12.771 1.00 18.35 N ATOM 2 CA LEU A 2 -14.695 0.639 11.775 1.00 18.48 C ATOM 3 C LEU A 2 -13.219 0.343 11.922 1.00 17.71 C ATOM 4 O LEU A 2 -12.750 -0.694 11.512 1.00 18.21 O ATOM 5 CB LEU A 2 -15.027 1.095 10.340 1.00 18.36 C ATOM 6 CG LEU A 2 -16.484 1.459 9.990 1.00 21.40 C ATOM 7 CD1 LEU A 2 -16.648 1.505 8.482 1.00 23.55 C ATOM 8 CD2 LEU A 2 -17.546 0.495 10.579 1.00 21.94 C ATOM 9 HA LEU A 2 -15.251 -0.278 11.969 1.00 0.00 H ATOM 10 HB2 LEU A 2 -14.419 1.977 10.136 1.00 0.00 H ATOM 11 HB3 LEU A 2 -14.730 0.287 9.671 1.00 0.00 H ATOM 12 HG LEU A 2 -16.663 2.433 10.445 1.00 0.00 H ATOM 13 HD21 LEU A 2 -17.370 -0.512 10.201 1.00 0.00 H ATOM 14 HD22 LEU A 2 -17.471 0.494 11.666 1.00 0.00 H ATOM 15 HD23 LEU A 2 -18.541 0.827 10.282 1.00 0.00 H ATOM 16 HD11 LEU A 2 -15.976 2.257 8.068 1.00 0.00 H ATOM 17 HD12 LEU A 2 -16.407 0.529 8.062 1.00 0.00 H ATOM 18 HD13 LEU A 2 -17.679 1.762 8.238 1.00 0.00 H ATOM 19 HN3 LEU A 2 -14.574 2.545 12.612 1.00 0.00 H ATOM 20 HN2 LEU A 2 -14.932 1.318 13.732 1.00 0.00 H ATOM 21 HN1 LEU A 2 -16.131 1.865 12.660 1.00 0.00 H ATOM 22 N GLY A 3 -12.491 1.285 12.504 1.00 18.12 N ATOM 23 CA GLY A 3 -11.075 1.148 12.758 1.00 17.60 C ATOM 24 C GLY A 3 -10.292 1.310 11.486 1.00 17.27 C ATOM 25 O GLY A 3 -9.222 0.735 11.353 1.00 17.23 O ATOM 26 HA3 GLY A 3 -10.880 0.161 13.176 1.00 0.00 H ATOM 27 HA2 GLY A 3 -10.763 1.911 13.471 1.00 0.00 H ATOM 28 H GLY A 3 -12.962 2.166 12.792 1.00 0.00 H ATOM 29 N SER A 4 -10.809 2.094 10.541 1.00 16.53 N ATOM 30 CA SER A 4 -10.198 2.151 9.223 1.00 17.09 C ATOM 31 C SER A 4 -8.780 2.722 9.308 1.00 15.43 C ATOM 32 O SER A 4 -8.474 3.505 10.194 1.00 13.81 O ATOM 33 CB SER A 4 -11.047 2.967 8.250 1.00 17.39 C ATOM 34 OG SER A 4 -11.154 4.297 8.694 1.00 20.77 O ATOM 35 HA SER A 4 -10.139 1.132 8.841 1.00 0.00 H ATOM 36 HB2 SER A 4 -12.043 2.528 8.185 1.00 0.00 H ATOM 37 HB3 SER A 4 -10.580 2.953 7.265 1.00 0.00 H ATOM 38 HG SER A 4 -11.706 4.814 8.055 1.00 0.00 H ATOM 39 H SER A 4 -11.652 2.667 10.747 1.00 0.00 H ATOM 40 N VAL A 5 -7.934 2.311 8.374 1.00 13.93 N ATOM 41 CA VAL A 5 -6.573 2.821 8.307 1.00 13.60 C ATOM 42 C VAL A 5 -6.532 3.917 7.246 1.00 13.33 C ATOM 43 O VAL A 5 -6.976 3.704 6.120 1.00 13.31 O ATOM 44 CB VAL A 5 -5.579 1.689 7.990 1.00 14.18 C ATOM 45 CG1 VAL A 5 -4.111 2.219 7.954 1.00 10.74 C ATOM 46 CG2 VAL A 5 -5.775 0.517 9.010 1.00 12.72 C ATOM 47 HA VAL A 5 -6.277 3.235 9.271 1.00 0.00 H ATOM 48 HB VAL A 5 -5.782 1.299 6.993 1.00 0.00 H ATOM 49 HG11 VAL A 5 -4.022 2.986 7.185 1.00 0.00 H ATOM 50 HG12 VAL A 5 -3.856 2.645 8.925 1.00 0.00 H ATOM 51 HG13 VAL A 5 -3.434 1.395 7.728 1.00 0.00 H ATOM 52 HG21 VAL A 5 -5.597 0.883 10.021 1.00 0.00 H ATOM 53 HG22 VAL A 5 -6.794 0.137 8.934 1.00 0.00 H ATOM 54 HG23 VAL A 5 -5.070 -0.283 8.783 1.00 0.00 H ATOM 55 H VAL A 5 -8.250 1.609 7.674 1.00 0.00 H ATOM 56 N ARG A 6 -5.983 5.081 7.595 1.00 11.95 N ATOM 57 CA ARG A 6 -5.908 6.159 6.651 1.00 11.80 C ATOM 58 C ARG A 6 -4.499 6.365 6.141 1.00 11.05 C ATOM 59 O ARG A 6 -4.324 6.863 5.033 1.00 10.47 O ATOM 60 CB ARG A 6 -6.516 7.436 7.242 1.00 11.72 C ATOM 61 CG ARG A 6 -8.035 7.236 7.449 1.00 14.09 C ATOM 62 CD ARG A 6 -8.695 8.424 8.060 1.00 16.64 C ATOM 63 NE ARG A 6 -8.643 9.539 7.133 1.00 17.32 N ATOM 64 CZ ARG A 6 -9.471 9.732 6.117 1.00 16.68 C ATOM 65 NH1 ARG A 6 -10.463 8.891 5.887 1.00 17.38 N ATOM 66 NH2 ARG A 6 -9.294 10.780 5.334 1.00 17.23 N ATOM 67 HA ARG A 6 -6.504 5.890 5.779 1.00 0.00 H ATOM 68 HB2 ARG A 6 -6.044 7.654 8.200 1.00 0.00 H ATOM 69 HB3 ARG A 6 -6.349 8.268 6.559 1.00 0.00 H ATOM 70 HG2 ARG A 6 -8.496 7.040 6.481 1.00 0.00 H ATOM 71 HG3 ARG A 6 -8.188 6.377 8.103 1.00 0.00 H ATOM 72 HD2 ARG A 6 -8.178 8.693 8.981 1.00 0.00 H ATOM 73 HD3 ARG A 6 -9.735 8.186 8.284 1.00 0.00 H ATOM 74 HE ARG A 6 -7.894 10.245 7.278 1.00 0.00 H ATOM 75 HH12 ARG A 6 -11.107 9.053 5.086 1.00 0.00 H ATOM 76 HH11 ARG A 6 -10.600 8.067 6.507 1.00 0.00 H ATOM 77 HH22 ARG A 6 -9.936 10.945 4.533 1.00 0.00 H ATOM 78 HH21 ARG A 6 -8.513 11.441 5.519 1.00 0.00 H ATOM 79 H ARG A 6 -5.607 5.208 8.556 1.00 0.00 H ATOM 80 N TRP A 7 -3.503 5.950 6.937 1.00 10.15 N ATOM 81 CA TRP A 7 -2.102 6.032 6.553 1.00 9.68 C ATOM 82 C TRP A 7 -1.386 4.799 7.059 1.00 9.65 C ATOM 83 O TRP A 7 -1.682 4.294 8.148 1.00 9.39 O ATOM 84 CB TRP A 7 -1.443 7.257 7.155 1.00 9.42 C ATOM 85 CG TRP A 7 -2.034 8.536 6.666 1.00 10.77 C ATOM 86 CD1 TRP A 7 -2.997 9.286 7.263 1.00 10.77 C ATOM 87 CD2 TRP A 7 -1.721 9.175 5.439 1.00 12.83 C ATOM 88 NE1 TRP A 7 -3.307 10.363 6.473 1.00 13.30 N ATOM 89 CE2 TRP A 7 -2.507 10.338 5.363 1.00 12.37 C ATOM 90 CE3 TRP A 7 -0.801 8.907 4.418 1.00 13.89 C ATOM 91 CZ2 TRP A 7 -2.458 11.197 4.270 1.00 15.15 C ATOM 92 CZ3 TRP A 7 -0.738 9.785 3.331 1.00 15.91 C ATOM 93 CH2 TRP A 7 -1.565 10.908 3.272 1.00 13.26 C ATOM 94 HA TRP A 7 -2.042 6.101 5.467 1.00 0.00 H ATOM 95 HB2 TRP A 7 -1.554 7.214 8.238 1.00 0.00 H ATOM 96 HB3 TRP A 7 -0.384 7.243 6.899 1.00 0.00 H ATOM 97 HE1 TRP A 7 -4.030 11.080 6.683 1.00 0.00 H ATOM 98 HD1 TRP A 7 -3.455 9.064 8.227 1.00 0.00 H ATOM 99 HZ2 TRP A 7 -3.108 12.070 4.210 1.00 0.00 H ATOM 100 HH2 TRP A 7 -1.499 11.572 2.410 1.00 0.00 H ATOM 101 HZ3 TRP A 7 -0.035 9.590 2.521 1.00 0.00 H ATOM 102 HE3 TRP A 7 -0.149 8.035 4.469 1.00 0.00 H ATOM 103 H TRP A 7 -3.742 5.553 7.868 1.00 0.00 H ATOM 104 N ALA A 8 -0.418 4.338 6.283 1.00 10.03 N ATOM 105 CA ALA A 8 0.361 3.143 6.659 1.00 11.28 C ATOM 106 C ALA A 8 1.800 3.274 6.219 1.00 11.43 C ATOM 107 O ALA A 8 2.057 3.757 5.125 1.00 11.97 O ATOM 108 CB ALA A 8 -0.235 1.891 6.021 1.00 9.39 C ATOM 109 HA ALA A 8 0.323 3.057 7.745 1.00 0.00 H ATOM 110 HB1 ALA A 8 -1.263 1.765 6.362 1.00 0.00 H ATOM 111 HB2 ALA A 8 -0.221 1.996 4.936 1.00 0.00 H ATOM 112 HB3 ALA A 8 0.354 1.021 6.311 1.00 0.00 H ATOM 113 H ALA A 8 -0.202 4.828 5.391 1.00 0.00 H ATOM 114 N ARG A 9 2.721 2.785 7.042 1.00 11.54 N ATOM 115 CA ARG A 9 4.151 2.844 6.721 1.00 12.53 C ATOM 116 C ARG A 9 4.601 1.533 6.072 1.00 11.99 C ATOM 117 O ARG A 9 4.332 0.463 6.628 1.00 11.32 O ATOM 118 CB ARG A 9 4.948 3.049 8.010 1.00 12.84 C ATOM 119 CG ARG A 9 6.403 3.354 7.810 1.00 16.16 C ATOM 120 CD ARG A 9 6.715 4.800 8.170 1.00 18.89 C ATOM 121 NE ARG A 9 8.061 5.165 7.767 1.00 19.05 N ATOM 122 CZ ARG A 9 9.124 5.260 8.560 1.00 18.20 C ATOM 123 NH1 ARG A 9 9.048 5.005 9.857 1.00 17.93 N ATOM 124 NH2 ARG A 9 10.288 5.602 8.026 1.00 18.95 N ATOM 125 HA ARG A 9 4.324 3.670 6.031 1.00 0.00 H ATOM 126 HB2 ARG A 9 4.500 3.878 8.557 1.00 0.00 H ATOM 127 HB3 ARG A 9 4.871 2.139 8.605 1.00 0.00 H ATOM 128 HG2 ARG A 9 6.996 2.694 8.443 1.00 0.00 H ATOM 129 HG3 ARG A 9 6.662 3.183 6.765 1.00 0.00 H ATOM 130 HD2 ARG A 9 6.620 4.926 9.249 1.00 0.00 H ATOM 131 HD3 ARG A 9 6.003 5.453 7.665 1.00 0.00 H ATOM 132 HE ARG A 9 8.208 5.373 6.759 1.00 0.00 H ATOM 133 HH12 ARG A 9 9.896 5.087 10.454 1.00 0.00 H ATOM 134 HH11 ARG A 9 8.140 4.722 10.279 1.00 0.00 H ATOM 135 HH22 ARG A 9 11.133 5.682 8.628 1.00 0.00 H ATOM 136 HH21 ARG A 9 10.357 5.790 7.005 1.00 0.00 H ATOM 137 H ARG A 9 2.420 2.349 7.937 1.00 0.00 H ATOM 138 N ALA A 10 5.284 1.595 4.920 1.00 11.16 N ATOM 139 CA ALA A 10 5.787 0.381 4.272 1.00 10.41 C ATOM 140 C ALA A 10 6.823 -0.320 5.135 1.00 10.62 C ATOM 141 O ALA A 10 7.791 0.291 5.543 1.00 10.09 O ATOM 142 CB ALA A 10 6.382 0.697 2.891 1.00 10.52 C ATOM 143 HA ALA A 10 4.938 -0.290 4.142 1.00 0.00 H ATOM 144 HB1 ALA A 10 5.612 1.138 2.257 1.00 0.00 H ATOM 145 HB2 ALA A 10 7.207 1.400 3.005 1.00 0.00 H ATOM 146 HB3 ALA A 10 6.747 -0.223 2.435 1.00 0.00 H ATOM 147 H ALA A 10 5.460 2.520 4.479 1.00 0.00 H ATOM 148 N LEU A 11 6.617 -1.597 5.448 1.00 10.28 N ATOM 149 CA LEU A 11 7.629 -2.358 6.225 1.00 11.34 C ATOM 150 C LEU A 11 8.684 -2.976 5.293 1.00 11.88 C ATOM 151 O LEU A 11 9.841 -3.218 5.689 1.00 12.97 O ATOM 152 CB LEU A 11 6.971 -3.467 7.054 1.00 11.09 C ATOM 153 CG LEU A 11 5.958 -3.052 8.117 1.00 11.75 C ATOM 154 CD1 LEU A 11 5.200 -4.278 8.668 1.00 11.31 C ATOM 155 CD2 LEU A 11 6.622 -2.315 9.228 1.00 14.25 C ATOM 156 HA LEU A 11 8.116 -1.654 6.900 1.00 0.00 H ATOM 157 HB2 LEU A 11 6.460 -4.133 6.359 1.00 0.00 H ATOM 158 HB3 LEU A 11 7.768 -4.013 7.559 1.00 0.00 H ATOM 159 HG LEU A 11 5.237 -2.386 7.643 1.00 0.00 H ATOM 160 HD21 LEU A 11 7.372 -2.956 9.691 1.00 0.00 H ATOM 161 HD22 LEU A 11 7.102 -1.420 8.833 1.00 0.00 H ATOM 162 HD23 LEU A 11 5.876 -2.032 9.971 1.00 0.00 H ATOM 163 HD11 LEU A 11 4.670 -4.772 7.854 1.00 0.00 H ATOM 164 HD12 LEU A 11 5.911 -4.973 9.115 1.00 0.00 H ATOM 165 HD13 LEU A 11 4.485 -3.952 9.423 1.00 0.00 H ATOM 166 H LEU A 11 5.740 -2.066 5.146 1.00 0.00 H ATOM 167 N TYR A 12 8.264 -3.256 4.064 1.00 11.60 N ATOM 168 CA TYR A 12 9.084 -3.913 3.031 1.00 11.44 C ATOM 169 C TYR A 12 8.837 -3.245 1.718 1.00 10.90 C ATOM 170 O TYR A 12 7.841 -2.532 1.586 1.00 10.59 O ATOM 171 CB TYR A 12 8.665 -5.378 2.848 1.00 11.60 C ATOM 172 CG TYR A 12 8.541 -6.074 4.142 1.00 13.34 C ATOM 173 CD1 TYR A 12 9.673 -6.491 4.812 1.00 16.08 C ATOM 174 CD2 TYR A 12 7.319 -6.290 4.721 1.00 15.07 C ATOM 175 CE1 TYR A 12 9.583 -7.098 6.023 1.00 18.71 C ATOM 176 CE2 TYR A 12 7.226 -6.938 5.949 1.00 19.30 C ATOM 177 CZ TYR A 12 8.377 -7.333 6.574 1.00 17.22 C ATOM 178 OH TYR A 12 8.354 -7.964 7.770 1.00 24.62 O ATOM 179 HA TYR A 12 10.127 -3.849 3.342 1.00 0.00 H ATOM 180 HB3 TYR A 12 9.415 -5.887 2.243 1.00 0.00 H ATOM 181 HB2 TYR A 12 7.703 -5.410 2.336 1.00 0.00 H ATOM 182 HD2 TYR A 12 6.414 -5.952 4.217 1.00 0.00 H ATOM 183 HE2 TYR A 12 6.254 -7.127 6.404 1.00 0.00 H ATOM 184 HE1 TYR A 12 10.489 -7.396 6.551 1.00 0.00 H ATOM 185 HD1 TYR A 12 10.653 -6.331 4.363 1.00 0.00 H ATOM 186 HH TYR A 12 7.922 -7.379 8.442 1.00 0.00 H ATOM 187 H TYR A 12 7.289 -2.993 3.814 1.00 0.00 H ATOM 188 N ASP A 13 9.733 -3.517 0.753 1.00 11.41 N ATOM 189 CA ASP A 13 9.572 -3.132 -0.623 1.00 11.29 C ATOM 190 C ASP A 13 8.477 -4.012 -1.209 1.00 11.12 C ATOM 191 O ASP A 13 8.414 -5.216 -0.917 1.00 10.79 O ATOM 192 CB ASP A 13 10.844 -3.397 -1.443 1.00 12.34 C ATOM 193 CG ASP A 13 12.036 -2.592 -0.976 1.00 13.54 C ATOM 194 OD1 ASP A 13 11.876 -1.521 -0.382 1.00 13.23 O ATOM 195 OD2 ASP A 13 13.159 -3.069 -1.182 1.00 19.57 O ATOM 196 HA ASP A 13 9.342 -2.067 -0.663 1.00 0.00 H ATOM 197 HB2 ASP A 13 11.090 -4.456 -1.367 1.00 0.00 H ATOM 198 HB3 ASP A 13 10.643 -3.146 -2.484 1.00 0.00 H ATOM 199 H ASP A 13 10.594 -4.037 1.018 1.00 0.00 H ATOM 200 N PHE A 14 7.616 -3.410 -2.025 1.00 10.06 N ATOM 201 CA PHE A 14 6.604 -4.153 -2.763 1.00 9.80 C ATOM 202 C PHE A 14 6.753 -3.809 -4.232 1.00 10.94 C ATOM 203 O PHE A 14 6.640 -2.637 -4.600 1.00 11.50 O ATOM 204 CB PHE A 14 5.179 -3.848 -2.259 1.00 8.28 C ATOM 205 CG PHE A 14 4.113 -4.529 -3.057 1.00 7.21 C ATOM 206 CD1 PHE A 14 4.090 -5.892 -3.183 1.00 9.11 C ATOM 207 CD2 PHE A 14 3.145 -3.791 -3.730 1.00 6.39 C ATOM 208 CE1 PHE A 14 3.122 -6.528 -3.960 1.00 7.38 C ATOM 209 CE2 PHE A 14 2.163 -4.416 -4.521 1.00 5.38 C ATOM 210 CZ PHE A 14 2.153 -5.766 -4.648 1.00 7.24 C ATOM 211 HA PHE A 14 6.754 -5.222 -2.608 1.00 0.00 H ATOM 212 HB2 PHE A 14 5.100 -4.177 -1.223 1.00 0.00 H ATOM 213 HB3 PHE A 14 5.016 -2.771 -2.310 1.00 0.00 H ATOM 214 HD2 PHE A 14 3.147 -2.704 -3.643 1.00 0.00 H ATOM 215 HE2 PHE A 14 1.411 -3.815 -5.032 1.00 0.00 H ATOM 216 HZ PHE A 14 1.407 -6.256 -5.273 1.00 0.00 H ATOM 217 HE1 PHE A 14 3.114 -7.615 -4.036 1.00 0.00 H ATOM 218 HD1 PHE A 14 4.841 -6.490 -2.667 1.00 0.00 H ATOM 219 H PHE A 14 7.667 -2.378 -2.139 1.00 0.00 H ATOM 220 N GLU A 15 7.056 -4.808 -5.054 1.00 12.04 N ATOM 221 CA GLU A 15 7.179 -4.614 -6.485 1.00 14.19 C ATOM 222 C GLU A 15 5.831 -4.947 -7.129 1.00 13.81 C ATOM 223 O GLU A 15 5.267 -6.041 -6.959 1.00 13.48 O ATOM 224 CB GLU A 15 8.310 -5.496 -7.064 1.00 15.00 C ATOM 225 CG GLU A 15 8.482 -5.488 -8.621 1.00 21.60 C ATOM 226 CD GLU A 15 9.010 -4.168 -9.215 1.00 28.96 C ATOM 227 OE1 GLU A 15 9.985 -3.570 -8.666 1.00 33.20 O ATOM 228 OE2 GLU A 15 8.446 -3.727 -10.261 1.00 34.83 O ATOM 229 HA GLU A 15 7.442 -3.579 -6.701 1.00 0.00 H ATOM 230 HB2 GLU A 15 9.249 -5.159 -6.626 1.00 0.00 H ATOM 231 HB3 GLU A 15 8.117 -6.524 -6.758 1.00 0.00 H ATOM 232 HG2 GLU A 15 9.180 -6.281 -8.888 1.00 0.00 H ATOM 233 HG3 GLU A 15 7.510 -5.695 -9.069 1.00 0.00 H ATOM 234 H GLU A 15 7.210 -5.758 -4.659 1.00 0.00 H ATOM 235 N ALA A 16 5.309 -3.973 -7.849 1.00 14.37 N ATOM 236 CA ALA A 16 4.075 -4.164 -8.604 1.00 13.88 C ATOM 237 C ALA A 16 4.347 -5.124 -9.745 1.00 14.15 C ATOM 238 O ALA A 16 5.220 -4.860 -10.582 1.00 14.53 O ATOM 239 CB ALA A 16 3.597 -2.850 -9.124 1.00 13.37 C ATOM 240 HA ALA A 16 3.299 -4.580 -7.961 1.00 0.00 H ATOM 241 HB1 ALA A 16 3.410 -2.176 -8.288 1.00 0.00 H ATOM 242 HB2 ALA A 16 4.358 -2.420 -9.776 1.00 0.00 H ATOM 243 HB3 ALA A 16 2.675 -2.997 -9.687 1.00 0.00 H ATOM 244 H ALA A 16 5.787 -3.050 -7.879 1.00 0.00 H ATOM 245 N LEU A 17 3.621 -6.245 -9.764 1.00 13.42 N ATOM 246 CA LEU A 17 3.774 -7.275 -10.798 1.00 13.26 C ATOM 247 C LEU A 17 2.602 -7.329 -11.751 1.00 13.44 C ATOM 248 O LEU A 17 2.689 -7.943 -12.825 1.00 13.46 O ATOM 249 CB LEU A 17 3.949 -8.674 -10.162 1.00 12.89 C ATOM 250 CG LEU A 17 5.211 -8.961 -9.341 1.00 13.16 C ATOM 251 CD1 LEU A 17 5.272 -10.446 -9.083 1.00 13.28 C ATOM 252 CD2 LEU A 17 6.477 -8.491 -10.057 1.00 11.98 C ATOM 253 HA LEU A 17 4.665 -6.998 -11.362 1.00 0.00 H ATOM 254 HB2 LEU A 17 3.095 -8.836 -9.504 1.00 0.00 H ATOM 255 HB3 LEU A 17 3.923 -9.401 -10.974 1.00 0.00 H ATOM 256 HG LEU A 17 5.160 -8.409 -8.402 1.00 0.00 H ATOM 257 HD21 LEU A 17 6.566 -9.008 -11.012 1.00 0.00 H ATOM 258 HD22 LEU A 17 6.418 -7.416 -10.229 1.00 0.00 H ATOM 259 HD23 LEU A 17 7.347 -8.714 -9.439 1.00 0.00 H ATOM 260 HD11 LEU A 17 4.385 -10.754 -8.530 1.00 0.00 H ATOM 261 HD12 LEU A 17 5.312 -10.977 -10.034 1.00 0.00 H ATOM 262 HD13 LEU A 17 6.163 -10.676 -8.499 1.00 0.00 H ATOM 263 H LEU A 17 2.917 -6.394 -9.013 1.00 0.00 H ATOM 264 N GLU A 18 1.501 -6.710 -11.346 1.00 13.45 N ATOM 265 CA GLU A 18 0.295 -6.603 -12.158 1.00 13.89 C ATOM 266 C GLU A 18 -0.177 -5.153 -12.150 1.00 14.27 C ATOM 267 O GLU A 18 0.185 -4.365 -11.249 1.00 12.96 O ATOM 268 CB GLU A 18 -0.800 -7.566 -11.655 1.00 14.18 C ATOM 269 CG GLU A 18 -0.397 -9.001 -11.857 1.00 14.45 C ATOM 270 CD GLU A 18 -1.511 -9.996 -11.716 1.00 14.23 C ATOM 271 OE1 GLU A 18 -2.402 -9.828 -10.850 1.00 16.96 O ATOM 272 OE2 GLU A 18 -1.474 -10.985 -12.463 1.00 16.07 O ATOM 273 HA GLU A 18 0.517 -6.896 -13.184 1.00 0.00 H ATOM 274 HB2 GLU A 18 -0.968 -7.390 -10.593 1.00 0.00 H ATOM 275 HB3 GLU A 18 -1.722 -7.375 -12.204 1.00 0.00 H ATOM 276 HG2 GLU A 18 0.019 -9.098 -12.860 1.00 0.00 H ATOM 277 HG3 GLU A 18 0.370 -9.244 -11.122 1.00 0.00 H ATOM 278 H GLU A 18 1.498 -6.278 -10.400 1.00 0.00 H ATOM 279 N GLU A 19 -0.966 -4.808 -13.175 1.00 14.60 N ATOM 280 CA GLU A 19 -1.214 -3.405 -13.517 1.00 16.07 C ATOM 281 C GLU A 19 -1.989 -2.675 -12.429 1.00 15.15 C ATOM 282 O GLU A 19 -1.838 -1.481 -12.239 1.00 15.26 O ATOM 283 CB GLU A 19 -1.925 -3.322 -14.873 1.00 17.40 C ATOM 284 CG GLU A 19 -2.673 -2.027 -15.126 1.00 22.27 C ATOM 285 CD GLU A 19 -4.057 -1.972 -14.449 1.00 27.01 C ATOM 286 OE1 GLU A 19 -4.729 -3.030 -14.249 1.00 28.23 O ATOM 287 OE2 GLU A 19 -4.461 -0.834 -14.125 1.00 33.93 O ATOM 288 HA GLU A 19 -0.252 -2.898 -13.593 1.00 0.00 H ATOM 289 HB2 GLU A 19 -1.176 -3.439 -15.656 1.00 0.00 H ATOM 290 HB3 GLU A 19 -2.640 -4.143 -14.931 1.00 0.00 H ATOM 291 HG2 GLU A 19 -2.071 -1.201 -14.748 1.00 0.00 H ATOM 292 HG3 GLU A 19 -2.810 -1.912 -16.201 1.00 0.00 H ATOM 293 H GLU A 19 -1.414 -5.555 -13.743 1.00 0.00 H ATOM 294 N ASP A 20 -2.809 -3.413 -11.697 1.00 14.82 N ATOM 295 CA ASP A 20 -3.589 -2.832 -10.608 1.00 14.15 C ATOM 296 C ASP A 20 -2.800 -2.609 -9.289 1.00 13.25 C ATOM 297 O ASP A 20 -3.373 -2.095 -8.328 1.00 13.97 O ATOM 298 CB ASP A 20 -4.856 -3.652 -10.341 1.00 13.57 C ATOM 299 CG ASP A 20 -4.580 -5.082 -9.943 1.00 13.24 C ATOM 300 OD1 ASP A 20 -3.420 -5.526 -10.011 1.00 15.68 O ATOM 301 OD2 ASP A 20 -5.558 -5.781 -9.593 1.00 15.81 O ATOM 302 HA ASP A 20 -3.861 -1.836 -10.958 1.00 0.00 H ATOM 303 HB2 ASP A 20 -5.414 -3.172 -9.537 1.00 0.00 H ATOM 304 HB3 ASP A 20 -5.460 -3.657 -11.248 1.00 0.00 H ATOM 305 H ASP A 20 -2.900 -4.429 -11.902 1.00 0.00 H ATOM 306 N GLU A 21 -1.511 -2.954 -9.250 1.00 11.99 N ATOM 307 CA GLU A 21 -0.732 -2.897 -7.998 1.00 10.55 C ATOM 308 C GLU A 21 0.031 -1.577 -7.794 1.00 10.41 C ATOM 309 O GLU A 21 0.574 -0.985 -8.740 1.00 9.32 O ATOM 310 CB GLU A 21 0.222 -4.091 -7.896 1.00 10.40 C ATOM 311 CG GLU A 21 -0.522 -5.413 -7.942 1.00 9.50 C ATOM 312 CD GLU A 21 0.338 -6.662 -7.942 1.00 9.95 C ATOM 313 OE1 GLU A 21 1.578 -6.559 -7.914 1.00 11.26 O ATOM 314 OE2 GLU A 21 -0.251 -7.783 -7.982 1.00 10.27 O ATOM 315 HA GLU A 21 -1.465 -2.947 -7.193 1.00 0.00 H ATOM 316 HB2 GLU A 21 0.926 -4.053 -8.728 1.00 0.00 H ATOM 317 HB3 GLU A 21 0.769 -4.026 -6.956 1.00 0.00 H ATOM 318 HG2 GLU A 21 -1.176 -5.458 -7.071 1.00 0.00 H ATOM 319 HG3 GLU A 21 -1.126 -5.424 -8.849 1.00 0.00 H ATOM 320 H GLU A 21 -1.044 -3.271 -10.124 1.00 0.00 H ATOM 321 N LEU A 22 0.070 -1.134 -6.545 1.00 9.66 N ATOM 322 CA LEU A 22 0.799 0.077 -6.165 1.00 10.22 C ATOM 323 C LEU A 22 2.112 -0.377 -5.530 1.00 10.97 C ATOM 324 O LEU A 22 2.114 -0.899 -4.386 1.00 10.35 O ATOM 325 CB LEU A 22 -0.012 0.857 -5.133 1.00 10.24 C ATOM 326 CG LEU A 22 0.670 2.104 -4.556 1.00 11.84 C ATOM 327 CD1 LEU A 22 0.721 3.154 -5.605 1.00 13.59 C ATOM 328 CD2 LEU A 22 -0.040 2.673 -3.350 1.00 10.84 C ATOM 329 HA LEU A 22 0.976 0.715 -7.031 1.00 0.00 H ATOM 330 HB2 LEU A 22 -0.942 1.172 -5.606 1.00 0.00 H ATOM 331 HB3 LEU A 22 -0.237 0.184 -4.305 1.00 0.00 H ATOM 332 HG LEU A 22 1.666 1.798 -4.235 1.00 0.00 H ATOM 333 HD21 LEU A 22 -1.056 2.954 -3.627 1.00 0.00 H ATOM 334 HD22 LEU A 22 -0.072 1.922 -2.561 1.00 0.00 H ATOM 335 HD23 LEU A 22 0.497 3.552 -2.995 1.00 0.00 H ATOM 336 HD11 LEU A 22 1.289 2.785 -6.459 1.00 0.00 H ATOM 337 HD12 LEU A 22 -0.293 3.401 -5.920 1.00 0.00 H ATOM 338 HD13 LEU A 22 1.205 4.044 -5.203 1.00 0.00 H ATOM 339 H LEU A 22 -0.436 -1.666 -5.808 1.00 0.00 H ATOM 340 N GLY A 23 3.227 -0.211 -6.243 1.00 10.64 N ATOM 341 CA GLY A 23 4.494 -0.559 -5.666 1.00 11.36 C ATOM 342 C GLY A 23 5.021 0.533 -4.743 1.00 11.63 C ATOM 343 O GLY A 23 4.661 1.703 -4.870 1.00 11.46 O ATOM 344 HA3 GLY A 23 5.214 -0.720 -6.468 1.00 0.00 H ATOM 345 HA2 GLY A 23 4.379 -1.479 -5.093 1.00 0.00 H ATOM 346 H GLY A 23 3.178 0.168 -7.210 1.00 0.00 H ATOM 347 N PHE A 24 5.878 0.132 -3.807 1.00 11.11 N ATOM 348 CA PHE A 24 6.549 1.064 -2.897 1.00 11.46 C ATOM 349 C PHE A 24 7.841 0.492 -2.332 1.00 12.03 C ATOM 350 O PHE A 24 8.128 -0.692 -2.479 1.00 11.62 O ATOM 351 CB PHE A 24 5.646 1.510 -1.729 1.00 10.96 C ATOM 352 CG PHE A 24 4.936 0.383 -1.002 1.00 9.70 C ATOM 353 CD1 PHE A 24 5.621 -0.487 -0.114 1.00 12.39 C ATOM 354 CD2 PHE A 24 3.584 0.214 -1.169 1.00 11.61 C ATOM 355 CE1 PHE A 24 4.925 -1.503 0.578 1.00 10.34 C ATOM 356 CE2 PHE A 24 2.876 -0.791 -0.473 1.00 10.57 C ATOM 357 CZ PHE A 24 3.547 -1.651 0.391 1.00 10.94 C ATOM 358 HA PHE A 24 6.783 1.935 -3.509 1.00 0.00 H ATOM 359 HB2 PHE A 24 6.265 2.042 -1.007 1.00 0.00 H ATOM 360 HB3 PHE A 24 4.889 2.187 -2.125 1.00 0.00 H ATOM 361 HD2 PHE A 24 3.045 0.869 -1.853 1.00 0.00 H ATOM 362 HE2 PHE A 24 1.800 -0.893 -0.613 1.00 0.00 H ATOM 363 HZ PHE A 24 3.002 -2.434 0.918 1.00 0.00 H ATOM 364 HE1 PHE A 24 5.460 -2.169 1.255 1.00 0.00 H ATOM 365 HD1 PHE A 24 6.694 -0.370 0.035 1.00 0.00 H ATOM 366 H PHE A 24 6.080 -0.884 -3.718 1.00 0.00 H ATOM 367 N ARG A 25 8.625 1.370 -1.709 1.00 13.26 N ATOM 368 CA ARG A 25 9.826 0.964 -1.013 1.00 14.49 C ATOM 369 C ARG A 25 9.577 1.087 0.478 1.00 14.33 C ATOM 370 O ARG A 25 8.778 1.908 0.932 1.00 14.17 O ATOM 371 CB ARG A 25 11.002 1.872 -1.337 1.00 15.67 C ATOM 372 CG ARG A 25 11.236 2.209 -2.804 1.00 21.18 C ATOM 373 CD ARG A 25 12.171 3.471 -2.876 1.00 27.63 C ATOM 374 NE ARG A 25 13.495 3.216 -2.263 1.00 31.36 N ATOM 375 CZ ARG A 25 14.684 3.392 -2.861 1.00 34.80 C ATOM 376 NH1 ARG A 25 14.796 3.889 -4.097 1.00 35.94 N ATOM 377 NH2 ARG A 25 15.790 3.073 -2.207 1.00 36.96 N ATOM 378 HA ARG A 25 10.061 -0.055 -1.320 1.00 0.00 H ATOM 379 HB2 ARG A 25 10.849 2.811 -0.805 1.00 0.00 H ATOM 380 HB3 ARG A 25 11.904 1.387 -0.963 1.00 0.00 H ATOM 381 HG2 ARG A 25 11.714 1.367 -3.305 1.00 0.00 H ATOM 382 HG3 ARG A 25 10.284 2.426 -3.289 1.00 0.00 H ATOM 383 HD2 ARG A 25 11.691 4.295 -2.348 1.00 0.00 H ATOM 384 HD3 ARG A 25 12.314 3.745 -3.921 1.00 0.00 H ATOM 385 HE ARG A 25 13.504 2.870 -1.282 1.00 0.00 H ATOM 386 HH12 ARG A 25 15.736 4.010 -4.526 1.00 0.00 H ATOM 387 HH11 ARG A 25 13.943 4.154 -4.630 1.00 0.00 H ATOM 388 HH22 ARG A 25 16.717 3.204 -2.659 1.00 0.00 H ATOM 389 HH21 ARG A 25 15.731 2.691 -1.241 1.00 0.00 H ATOM 390 H ARG A 25 8.366 2.377 -1.723 1.00 0.00 H ATOM 391 N SER A 26 10.312 0.290 1.237 1.00 13.62 N ATOM 392 CA SER A 26 10.221 0.281 2.680 1.00 13.69 C ATOM 393 C SER A 26 10.386 1.683 3.253 1.00 12.68 C ATOM 394 O SER A 26 11.118 2.517 2.707 1.00 13.36 O ATOM 395 CB SER A 26 11.301 -0.658 3.235 1.00 14.20 C ATOM 396 OG SER A 26 11.330 -0.587 4.647 1.00 16.41 O ATOM 397 HA SER A 26 9.233 -0.074 2.974 1.00 0.00 H ATOM 398 HB2 SER A 26 12.273 -0.363 2.839 1.00 0.00 H ATOM 399 HB3 SER A 26 11.081 -1.681 2.930 1.00 0.00 H ATOM 400 HG SER A 26 11.532 0.341 4.925 1.00 0.00 H ATOM 401 H SER A 26 10.983 -0.357 0.776 1.00 0.00 H ATOM 402 N GLY A 27 9.631 1.979 4.296 1.00 12.40 N ATOM 403 CA GLY A 27 9.653 3.303 4.943 1.00 11.96 C ATOM 404 C GLY A 27 8.732 4.387 4.349 1.00 11.54 C ATOM 405 O GLY A 27 8.477 5.402 4.995 1.00 10.99 O ATOM 406 HA3 GLY A 27 10.676 3.677 4.893 1.00 0.00 H ATOM 407 HA2 GLY A 27 9.368 3.164 5.986 1.00 0.00 H ATOM 408 H GLY A 27 8.996 1.248 4.676 1.00 0.00 H ATOM 409 N GLU A 28 8.250 4.187 3.129 1.00 11.58 N ATOM 410 CA GLU A 28 7.359 5.158 2.498 1.00 11.02 C ATOM 411 C GLU A 28 6.027 5.194 3.244 1.00 11.45 C ATOM 412 O GLU A 28 5.586 4.183 3.774 1.00 11.70 O ATOM 413 CB GLU A 28 7.170 4.878 1.009 1.00 10.67 C ATOM 414 CG GLU A 28 8.473 5.078 0.254 1.00 11.77 C ATOM 415 CD GLU A 28 8.328 5.144 -1.192 1.00 8.33 C ATOM 416 OE1 GLU A 28 8.560 6.223 -1.771 1.00 14.55 O ATOM 417 OE2 GLU A 28 7.937 4.151 -1.812 1.00 9.40 O ATOM 418 HA GLU A 28 7.821 6.143 2.564 1.00 0.00 H ATOM 419 HB2 GLU A 28 6.835 3.849 0.878 1.00 0.00 H ATOM 420 HB3 GLU A 28 6.417 5.558 0.610 1.00 0.00 H ATOM 421 HG2 GLU A 28 8.924 6.010 0.594 1.00 0.00 H ATOM 422 HG3 GLU A 28 9.136 4.246 0.492 1.00 0.00 H ATOM 423 H GLU A 28 8.511 3.323 2.612 1.00 0.00 H ATOM 424 N VAL A 29 5.436 6.383 3.353 1.00 11.36 N ATOM 425 CA VAL A 29 4.130 6.523 3.988 1.00 11.96 C ATOM 426 C VAL A 29 3.040 6.538 2.887 1.00 12.35 C ATOM 427 O VAL A 29 2.990 7.443 2.041 1.00 13.11 O ATOM 428 CB VAL A 29 4.046 7.742 4.923 1.00 11.96 C ATOM 429 CG1 VAL A 29 2.646 7.796 5.548 1.00 13.64 C ATOM 430 CG2 VAL A 29 5.068 7.625 6.083 1.00 11.49 C ATOM 431 HA VAL A 29 3.964 5.666 4.641 1.00 0.00 H ATOM 432 HB VAL A 29 4.259 8.635 4.335 1.00 0.00 H ATOM 433 HG11 VAL A 29 1.900 7.885 4.758 1.00 0.00 H ATOM 434 HG12 VAL A 29 2.468 6.883 6.116 1.00 0.00 H ATOM 435 HG13 VAL A 29 2.579 8.658 6.212 1.00 0.00 H ATOM 436 HG21 VAL A 29 4.858 6.725 6.661 1.00 0.00 H ATOM 437 HG22 VAL A 29 6.076 7.567 5.673 1.00 0.00 H ATOM 438 HG23 VAL A 29 4.986 8.500 6.727 1.00 0.00 H ATOM 439 H VAL A 29 5.915 7.227 2.978 1.00 0.00 H ATOM 440 N VAL A 30 2.213 5.501 2.890 1.00 11.55 N ATOM 441 CA VAL A 30 1.165 5.315 1.901 1.00 11.55 C ATOM 442 C VAL A 30 -0.177 5.824 2.432 1.00 11.11 C ATOM 443 O VAL A 30 -0.527 5.586 3.583 1.00 10.48 O ATOM 444 CB VAL A 30 1.039 3.808 1.569 1.00 11.92 C ATOM 445 CG1 VAL A 30 -0.124 3.557 0.613 1.00 11.97 C ATOM 446 CG2 VAL A 30 2.380 3.284 0.994 1.00 12.39 C ATOM 447 HA VAL A 30 1.426 5.879 1.006 1.00 0.00 H ATOM 448 HB VAL A 30 0.823 3.257 2.485 1.00 0.00 H ATOM 449 HG11 VAL A 30 -1.052 3.894 1.075 1.00 0.00 H ATOM 450 HG12 VAL A 30 0.043 4.108 -0.313 1.00 0.00 H ATOM 451 HG13 VAL A 30 -0.191 2.491 0.396 1.00 0.00 H ATOM 452 HG21 VAL A 30 2.624 3.835 0.086 1.00 0.00 H ATOM 453 HG22 VAL A 30 3.170 3.427 1.731 1.00 0.00 H ATOM 454 HG23 VAL A 30 2.285 2.223 0.762 1.00 0.00 H ATOM 455 H VAL A 30 2.320 4.786 3.637 1.00 0.00 H ATOM 456 N GLU A 31 -0.904 6.567 1.609 1.00 10.89 N ATOM 457 CA GLU A 31 -2.293 6.902 1.910 1.00 11.24 C ATOM 458 C GLU A 31 -3.185 5.699 1.680 1.00 10.98 C ATOM 459 O GLU A 31 -3.253 5.199 0.572 1.00 10.48 O ATOM 460 CB GLU A 31 -2.784 8.067 1.052 1.00 12.08 C ATOM 461 CG GLU A 31 -4.066 8.623 1.597 1.00 14.72 C ATOM 462 CD GLU A 31 -4.780 9.567 0.671 1.00 19.19 C ATOM 463 OE1 GLU A 31 -4.322 9.804 -0.465 1.00 19.21 O ATOM 464 OE2 GLU A 31 -5.833 10.060 1.109 1.00 24.41 O ATOM 465 HA GLU A 31 -2.340 7.199 2.958 1.00 0.00 H ATOM 466 HB2 GLU A 31 -2.027 8.851 1.046 1.00 0.00 H ATOM 467 HB3 GLU A 31 -2.950 7.717 0.033 1.00 0.00 H ATOM 468 HG2 GLU A 31 -4.734 7.789 1.815 1.00 0.00 H ATOM 469 HG3 GLU A 31 -3.841 9.157 2.520 1.00 0.00 H ATOM 470 H GLU A 31 -0.475 6.919 0.729 1.00 0.00 H ATOM 471 N VAL A 32 -3.831 5.214 2.738 1.00 10.52 N ATOM 472 CA VAL A 32 -4.735 4.064 2.613 1.00 10.41 C ATOM 473 C VAL A 32 -6.151 4.553 2.373 1.00 11.01 C ATOM 474 O VAL A 32 -6.734 5.281 3.197 1.00 11.70 O ATOM 475 CB VAL A 32 -4.640 3.114 3.821 1.00 10.17 C ATOM 476 CG1 VAL A 32 -5.519 1.841 3.622 1.00 10.34 C ATOM 477 CG2 VAL A 32 -3.161 2.747 4.084 1.00 10.21 C ATOM 478 HA VAL A 32 -4.425 3.472 1.752 1.00 0.00 H ATOM 479 HB VAL A 32 -5.031 3.630 4.698 1.00 0.00 H ATOM 480 HG11 VAL A 32 -6.561 2.136 3.497 1.00 0.00 H ATOM 481 HG12 VAL A 32 -5.183 1.304 2.735 1.00 0.00 H ATOM 482 HG13 VAL A 32 -5.425 1.196 4.496 1.00 0.00 H ATOM 483 HG21 VAL A 32 -2.748 2.254 3.204 1.00 0.00 H ATOM 484 HG22 VAL A 32 -2.594 3.654 4.293 1.00 0.00 H ATOM 485 HG23 VAL A 32 -3.101 2.075 4.940 1.00 0.00 H ATOM 486 H VAL A 32 -3.693 5.657 3.669 1.00 0.00 H ATOM 487 N LEU A 33 -6.698 4.136 1.233 1.00 11.93 N ATOM 488 CA LEU A 33 -8.041 4.470 0.806 1.00 12.78 C ATOM 489 C LEU A 33 -9.096 3.441 1.181 1.00 12.84 C ATOM 490 O LEU A 33 -10.265 3.792 1.348 1.00 12.59 O ATOM 491 CB LEU A 33 -8.041 4.660 -0.697 1.00 13.88 C ATOM 492 CG LEU A 33 -7.094 5.736 -1.242 1.00 14.99 C ATOM 493 CD1 LEU A 33 -7.446 5.967 -2.698 1.00 16.59 C ATOM 494 CD2 LEU A 33 -7.158 7.013 -0.447 1.00 20.67 C ATOM 495 HA LEU A 33 -8.314 5.384 1.333 1.00 0.00 H ATOM 496 HB2 LEU A 33 -7.763 3.710 -1.153 1.00 0.00 H ATOM 497 HB3 LEU A 33 -9.054 4.924 -0.999 1.00 0.00 H ATOM 498 HG LEU A 33 -6.064 5.391 -1.153 1.00 0.00 H ATOM 499 HD21 LEU A 33 -8.173 7.409 -0.479 1.00 0.00 H ATOM 500 HD22 LEU A 33 -6.879 6.810 0.587 1.00 0.00 H ATOM 501 HD23 LEU A 33 -6.469 7.741 -0.875 1.00 0.00 H ATOM 502 HD11 LEU A 33 -7.322 5.037 -3.252 1.00 0.00 H ATOM 503 HD12 LEU A 33 -8.481 6.300 -2.772 1.00 0.00 H ATOM 504 HD13 LEU A 33 -6.787 6.729 -3.113 1.00 0.00 H ATOM 505 H LEU A 33 -6.125 3.532 0.610 1.00 0.00 H ATOM 506 N ASP A 34 -8.682 2.176 1.308 1.00 12.02 N ATOM 507 CA ASP A 34 -9.554 1.065 1.656 1.00 12.11 C ATOM 508 C ASP A 34 -8.742 0.001 2.374 1.00 11.71 C ATOM 509 O ASP A 34 -7.804 -0.559 1.783 1.00 11.83 O ATOM 510 CB ASP A 34 -10.106 0.451 0.377 1.00 12.68 C ATOM 511 CG ASP A 34 -11.331 -0.371 0.604 1.00 15.18 C ATOM 512 OD1 ASP A 34 -11.555 -0.941 1.723 1.00 15.43 O ATOM 513 OD2 ASP A 34 -12.115 -0.408 -0.358 1.00 17.33 O ATOM 514 HA ASP A 34 -10.364 1.422 2.293 1.00 0.00 H ATOM 515 HB2 ASP A 34 -10.351 1.255 -0.317 1.00 0.00 H ATOM 516 HB3 ASP A 34 -9.338 -0.185 -0.063 1.00 0.00 H ATOM 517 H ASP A 34 -7.674 1.974 1.148 1.00 0.00 H ATOM 518 N SER A 35 -9.105 -0.275 3.624 1.00 11.15 N ATOM 519 CA SER A 35 -8.425 -1.249 4.466 1.00 11.05 C ATOM 520 C SER A 35 -9.313 -2.411 4.896 1.00 10.64 C ATOM 521 O SER A 35 -9.000 -3.088 5.861 1.00 10.99 O ATOM 522 CB SER A 35 -7.829 -0.558 5.710 1.00 11.55 C ATOM 523 OG SER A 35 -8.797 0.166 6.465 1.00 10.90 O ATOM 524 HA SER A 35 -7.629 -1.674 3.854 1.00 0.00 H ATOM 525 HB2 SER A 35 -7.054 0.135 5.384 1.00 0.00 H ATOM 526 HB3 SER A 35 -7.387 -1.320 6.352 1.00 0.00 H ATOM 527 HG SER A 35 -9.503 -0.455 6.775 1.00 0.00 H ATOM 528 H SER A 35 -9.920 0.234 4.022 1.00 0.00 H ATOM 529 N SER A 36 -10.391 -2.674 4.158 1.00 11.01 N ATOM 530 CA SER A 36 -11.386 -3.661 4.583 1.00 12.19 C ATOM 531 C SER A 36 -11.131 -5.057 4.064 1.00 12.33 C ATOM 532 O SER A 36 -11.672 -6.030 4.630 1.00 12.80 O ATOM 533 CB SER A 36 -12.797 -3.240 4.154 1.00 11.69 C ATOM 534 OG SER A 36 -12.940 -3.260 2.743 1.00 14.29 O ATOM 535 HA SER A 36 -11.301 -3.690 5.669 1.00 0.00 H ATOM 536 HB2 SER A 36 -12.991 -2.230 4.515 1.00 0.00 H ATOM 537 HB3 SER A 36 -13.521 -3.927 4.593 1.00 0.00 H ATOM 538 HG SER A 36 -12.289 -2.634 2.338 1.00 0.00 H ATOM 539 H SER A 36 -10.529 -2.167 3.260 1.00 0.00 H ATOM 540 N ASN A 37 -10.365 -5.187 2.975 1.00 11.79 N ATOM 541 CA ASN A 37 -10.043 -6.514 2.443 1.00 11.64 C ATOM 542 C ASN A 37 -8.860 -7.050 3.242 1.00 11.40 C ATOM 543 O ASN A 37 -7.877 -6.321 3.439 1.00 10.04 O ATOM 544 CB ASN A 37 -9.670 -6.414 0.957 1.00 11.79 C ATOM 545 CG ASN A 37 -9.481 -7.745 0.317 1.00 12.33 C ATOM 546 OD1 ASN A 37 -8.484 -8.419 0.552 1.00 13.33 O ATOM 547 ND2 ASN A 37 -10.425 -8.136 -0.537 1.00 14.44 N ATOM 548 HA ASN A 37 -10.902 -7.179 2.530 1.00 0.00 H ATOM 549 HB2 ASN A 37 -10.466 -5.885 0.433 1.00 0.00 H ATOM 550 HB3 ASN A 37 -8.742 -5.850 0.868 1.00 0.00 H ATOM 551 HD22 ASN A 37 -11.255 -7.533 -0.707 1.00 0.00 H ATOM 552 HD21 ASN A 37 -10.332 -9.045 -1.034 1.00 0.00 H ATOM 553 H ASN A 37 -9.995 -4.338 2.501 1.00 0.00 H ATOM 554 N PRO A 38 -8.935 -8.307 3.703 1.00 10.52 N ATOM 555 CA PRO A 38 -7.861 -8.729 4.594 1.00 10.88 C ATOM 556 C PRO A 38 -6.510 -8.976 3.906 1.00 10.31 C ATOM 557 O PRO A 38 -5.516 -9.071 4.606 1.00 10.08 O ATOM 558 CB PRO A 38 -8.380 -10.030 5.208 1.00 11.37 C ATOM 559 CG PRO A 38 -9.772 -10.198 4.710 1.00 12.50 C ATOM 560 CD PRO A 38 -10.004 -9.302 3.596 1.00 11.54 C ATOM 561 HA PRO A 38 -7.646 -7.939 5.314 1.00 0.00 H ATOM 562 HD3 PRO A 38 -9.940 -9.838 2.649 1.00 0.00 H ATOM 563 HD2 PRO A 38 -10.982 -8.828 3.678 1.00 0.00 H ATOM 564 HG3 PRO A 38 -10.474 -9.969 5.512 1.00 0.00 H ATOM 565 HG2 PRO A 38 -9.918 -11.228 4.384 1.00 0.00 H ATOM 566 HB2 PRO A 38 -7.761 -10.870 4.892 1.00 0.00 H ATOM 567 HB3 PRO A 38 -8.373 -9.964 6.296 1.00 0.00 H ATOM 568 N SER A 39 -6.510 -9.125 2.573 1.00 9.23 N ATOM 569 CA SER A 39 -5.318 -9.439 1.802 1.00 9.23 C ATOM 570 C SER A 39 -4.756 -8.229 1.065 1.00 8.92 C ATOM 571 O SER A 39 -3.547 -8.012 1.074 1.00 7.31 O ATOM 572 CB SER A 39 -5.609 -10.563 0.812 1.00 9.78 C ATOM 573 OG SER A 39 -5.614 -11.820 1.482 1.00 10.94 O ATOM 574 HA SER A 39 -4.559 -9.762 2.514 1.00 0.00 H ATOM 575 HB2 SER A 39 -4.841 -10.570 0.039 1.00 0.00 H ATOM 576 HB3 SER A 39 -6.583 -10.396 0.353 1.00 0.00 H ATOM 577 HG SER A 39 -5.804 -12.540 0.829 1.00 0.00 H ATOM 578 H SER A 39 -7.410 -9.010 2.064 1.00 0.00 H ATOM 579 N TRP A 40 -5.639 -7.462 0.414 1.00 8.88 N ATOM 580 CA TRP A 40 -5.258 -6.373 -0.465 1.00 8.37 C ATOM 581 C TRP A 40 -5.875 -5.024 -0.077 1.00 9.00 C ATOM 582 O TRP A 40 -7.097 -4.872 -0.117 1.00 9.67 O ATOM 583 CB TRP A 40 -5.679 -6.694 -1.903 1.00 8.40 C ATOM 584 CG TRP A 40 -5.002 -7.881 -2.543 1.00 9.40 C ATOM 585 CD1 TRP A 40 -5.518 -9.131 -2.700 1.00 8.62 C ATOM 586 CD2 TRP A 40 -3.696 -7.915 -3.138 1.00 9.30 C ATOM 587 NE1 TRP A 40 -4.620 -9.938 -3.336 1.00 11.02 N ATOM 588 CE2 TRP A 40 -3.498 -9.215 -3.636 1.00 9.97 C ATOM 589 CE3 TRP A 40 -2.689 -6.971 -3.313 1.00 9.15 C ATOM 590 CZ2 TRP A 40 -2.322 -9.601 -4.276 1.00 10.70 C ATOM 591 CZ3 TRP A 40 -1.513 -7.353 -3.953 1.00 10.47 C ATOM 592 CH2 TRP A 40 -1.343 -8.655 -4.426 1.00 11.39 C ATOM 593 HA TRP A 40 -4.176 -6.280 -0.374 1.00 0.00 H ATOM 594 HB2 TRP A 40 -6.752 -6.883 -1.902 1.00 0.00 H ATOM 595 HB3 TRP A 40 -5.466 -5.818 -2.516 1.00 0.00 H ATOM 596 HE1 TRP A 40 -4.766 -10.944 -3.558 1.00 0.00 H ATOM 597 HD1 TRP A 40 -6.507 -9.443 -2.365 1.00 0.00 H ATOM 598 HZ2 TRP A 40 -2.186 -10.618 -4.644 1.00 0.00 H ATOM 599 HH2 TRP A 40 -0.412 -8.924 -4.925 1.00 0.00 H ATOM 600 HZ3 TRP A 40 -0.713 -6.624 -4.087 1.00 0.00 H ATOM 601 HE3 TRP A 40 -2.819 -5.950 -2.955 1.00 0.00 H ATOM 602 H TRP A 40 -6.652 -7.657 0.545 1.00 0.00 H ATOM 603 N TRP A 41 -5.045 -4.037 0.261 1.00 7.87 N ATOM 604 CA TRP A 41 -5.536 -2.728 0.568 1.00 8.38 C ATOM 605 C TRP A 41 -5.298 -1.845 -0.636 1.00 9.26 C ATOM 606 O TRP A 41 -4.468 -2.158 -1.509 1.00 9.02 O ATOM 607 CB TRP A 41 -4.850 -2.140 1.786 1.00 8.65 C ATOM 608 CG TRP A 41 -5.218 -2.833 3.062 1.00 8.16 C ATOM 609 CD1 TRP A 41 -6.125 -3.851 3.220 1.00 6.21 C ATOM 610 CD2 TRP A 41 -4.719 -2.530 4.358 1.00 7.15 C ATOM 611 NE1 TRP A 41 -6.206 -4.197 4.549 1.00 8.09 N ATOM 612 CE2 TRP A 41 -5.360 -3.391 5.268 1.00 6.14 C ATOM 613 CE3 TRP A 41 -3.808 -1.586 4.848 1.00 7.34 C ATOM 614 CZ2 TRP A 41 -5.065 -3.389 6.634 1.00 5.19 C ATOM 615 CZ3 TRP A 41 -3.532 -1.569 6.199 1.00 8.24 C ATOM 616 CH2 TRP A 41 -4.170 -2.460 7.080 1.00 7.83 C ATOM 617 HA TRP A 41 -6.599 -2.792 0.800 1.00 0.00 H ATOM 618 HB2 TRP A 41 -3.772 -2.217 1.648 1.00 0.00 H ATOM 619 HB3 TRP A 41 -5.130 -1.090 1.868 1.00 0.00 H ATOM 620 HE1 TRP A 41 -6.809 -4.946 4.944 1.00 0.00 H ATOM 621 HD1 TRP A 41 -6.695 -4.315 2.415 1.00 0.00 H ATOM 622 HZ2 TRP A 41 -5.531 -4.101 7.316 1.00 0.00 H ATOM 623 HH2 TRP A 41 -3.944 -2.408 8.145 1.00 0.00 H ATOM 624 HZ3 TRP A 41 -2.808 -0.854 6.590 1.00 0.00 H ATOM 625 HE3 TRP A 41 -3.326 -0.878 4.174 1.00 0.00 H ATOM 626 H TRP A 41 -4.022 -4.221 0.302 1.00 0.00 H ATOM 627 N THR A 42 -6.055 -0.752 -0.687 1.00 9.65 N ATOM 628 CA THR A 42 -5.947 0.222 -1.757 1.00 9.76 C ATOM 629 C THR A 42 -5.237 1.460 -1.200 1.00 9.66 C ATOM 630 O THR A 42 -5.568 1.935 -0.115 1.00 9.58 O ATOM 631 CB THR A 42 -7.345 0.631 -2.245 1.00 10.67 C ATOM 632 OG1 THR A 42 -8.053 -0.572 -2.645 1.00 11.05 O ATOM 633 CG2 THR A 42 -7.230 1.617 -3.370 1.00 12.65 C ATOM 634 HA THR A 42 -5.392 -0.207 -2.591 1.00 0.00 H ATOM 635 HB THR A 42 -7.906 1.123 -1.450 1.00 0.00 H ATOM 636 HG1 THR A 42 -8.127 -1.183 -1.870 1.00 0.00 H ATOM 637 HG23 THR A 42 -6.693 2.500 -3.024 1.00 0.00 H ATOM 638 HG21 THR A 42 -6.686 1.161 -4.197 1.00 0.00 H ATOM 639 HG22 THR A 42 -8.227 1.904 -3.704 1.00 0.00 H ATOM 640 H THR A 42 -6.751 -0.590 0.069 1.00 0.00 H ATOM 641 N GLY A 43 -4.271 1.971 -1.948 1.00 9.58 N ATOM 642 CA GLY A 43 -3.526 3.110 -1.489 1.00 9.77 C ATOM 643 C GLY A 43 -3.223 4.057 -2.601 1.00 11.38 C ATOM 644 O GLY A 43 -3.404 3.735 -3.784 1.00 10.05 O ATOM 645 HA3 GLY A 43 -2.588 2.766 -1.052 1.00 0.00 H ATOM 646 HA2 GLY A 43 -4.109 3.631 -0.730 1.00 0.00 H ATOM 647 H GLY A 43 -4.051 1.546 -2.871 1.00 0.00 H ATOM 648 N ARG A 44 -2.770 5.248 -2.179 1.00 11.60 N ATOM 649 CA ARG A 44 -2.255 6.267 -3.091 1.00 12.27 C ATOM 650 C ARG A 44 -0.860 6.659 -2.637 1.00 12.42 C ATOM 651 O ARG A 44 -0.601 6.835 -1.428 1.00 11.83 O ATOM 652 CB ARG A 44 -3.158 7.511 -3.140 1.00 12.23 C ATOM 653 CG ARG A 44 -2.632 8.608 -4.060 1.00 12.75 C ATOM 654 CD ARG A 44 -3.701 9.604 -4.455 1.00 15.28 C ATOM 655 NE ARG A 44 -4.492 10.051 -3.316 1.00 18.34 N ATOM 656 CZ ARG A 44 -5.788 9.800 -3.175 1.00 18.54 C ATOM 657 NH1 ARG A 44 -6.437 9.126 -4.110 1.00 20.09 N ATOM 658 NH2 ARG A 44 -6.442 10.246 -2.115 1.00 19.66 N ATOM 659 HA ARG A 44 -2.231 5.849 -4.098 1.00 0.00 H ATOM 660 HB2 ARG A 44 -4.144 7.208 -3.492 1.00 0.00 H ATOM 661 HB3 ARG A 44 -3.242 7.917 -2.132 1.00 0.00 H ATOM 662 HG2 ARG A 44 -1.832 9.141 -3.546 1.00 0.00 H ATOM 663 HG3 ARG A 44 -2.236 8.145 -4.964 1.00 0.00 H ATOM 664 HD2 ARG A 44 -4.366 9.135 -5.181 1.00 0.00 H ATOM 665 HD3 ARG A 44 -3.221 10.471 -4.910 1.00 0.00 H ATOM 666 HE ARG A 44 -4.014 10.598 -2.571 1.00 0.00 H ATOM 667 HH12 ARG A 44 -7.452 8.930 -3.999 1.00 0.00 H ATOM 668 HH11 ARG A 44 -5.932 8.793 -4.956 1.00 0.00 H ATOM 669 HH22 ARG A 44 -7.457 10.047 -2.009 1.00 0.00 H ATOM 670 HH21 ARG A 44 -5.941 10.796 -1.388 1.00 0.00 H ATOM 671 H ARG A 44 -2.786 5.454 -1.160 1.00 0.00 H ATOM 672 N LEU A 45 0.044 6.766 -3.604 1.00 11.96 N ATOM 673 CA LEU A 45 1.437 7.142 -3.355 1.00 12.74 C ATOM 674 C LEU A 45 1.982 7.720 -4.660 1.00 13.87 C ATOM 675 O LEU A 45 1.803 7.136 -5.728 1.00 13.53 O ATOM 676 CB LEU A 45 2.269 5.917 -2.954 1.00 12.74 C ATOM 677 CG LEU A 45 3.746 6.084 -2.559 1.00 14.17 C ATOM 678 CD1 LEU A 45 3.838 6.959 -1.313 1.00 16.85 C ATOM 679 CD2 LEU A 45 4.414 4.756 -2.270 1.00 9.87 C ATOM 680 HA LEU A 45 1.493 7.865 -2.541 1.00 0.00 H ATOM 681 HB2 LEU A 45 1.765 5.460 -2.102 1.00 0.00 H ATOM 682 HB3 LEU A 45 2.245 5.230 -3.800 1.00 0.00 H ATOM 683 HG LEU A 45 4.261 6.546 -3.401 1.00 0.00 H ATOM 684 HD21 LEU A 45 3.897 4.262 -1.448 1.00 0.00 H ATOM 685 HD22 LEU A 45 4.369 4.127 -3.159 1.00 0.00 H ATOM 686 HD23 LEU A 45 5.455 4.926 -1.996 1.00 0.00 H ATOM 687 HD11 LEU A 45 3.403 7.936 -1.524 1.00 0.00 H ATOM 688 HD12 LEU A 45 3.292 6.485 -0.497 1.00 0.00 H ATOM 689 HD13 LEU A 45 4.884 7.079 -1.031 1.00 0.00 H ATOM 690 H LEU A 45 -0.251 6.574 -4.583 1.00 0.00 H ATOM 691 N HIS A 46 2.604 8.883 -4.552 1.00 15.71 N ATOM 692 CA HIS A 46 3.134 9.638 -5.660 1.00 16.86 C ATOM 693 C HIS A 46 2.163 9.694 -6.822 1.00 17.22 C ATOM 694 O HIS A 46 2.558 9.453 -7.980 1.00 16.82 O ATOM 695 CB HIS A 46 4.468 9.068 -6.137 1.00 17.76 C ATOM 696 CG HIS A 46 5.396 8.685 -5.032 1.00 19.17 C ATOM 697 ND1 HIS A 46 6.098 7.502 -5.043 1.00 23.32 N ATOM 698 CD2 HIS A 46 5.723 9.310 -3.878 1.00 20.18 C ATOM 699 CE1 HIS A 46 6.834 7.419 -3.946 1.00 22.09 C ATOM 700 NE2 HIS A 46 6.621 8.501 -3.219 1.00 21.01 N ATOM 701 HA HIS A 46 3.293 10.652 -5.294 1.00 0.00 H ATOM 702 HB2 HIS A 46 4.267 8.181 -6.738 1.00 0.00 H ATOM 703 HB3 HIS A 46 4.961 9.819 -6.754 1.00 0.00 H ATOM 704 HD2 HIS A 46 5.346 10.273 -3.534 1.00 0.00 H ATOM 705 HE1 HIS A 46 7.502 6.598 -3.687 1.00 0.00 H ATOM 706 H HIS A 46 2.719 9.281 -3.598 1.00 0.00 H ATOM 707 N ASN A 47 0.910 9.994 -6.503 1.00 18.47 N ATOM 708 CA ASN A 47 -0.122 10.205 -7.513 1.00 19.90 C ATOM 709 C ASN A 47 -0.405 8.924 -8.288 1.00 19.88 C ATOM 710 O ASN A 47 -0.847 8.970 -9.452 1.00 21.12 O ATOM 711 CB ASN A 47 0.358 11.299 -8.473 1.00 20.37 C ATOM 712 CG ASN A 47 -0.738 12.174 -8.952 1.00 24.61 C ATOM 713 OD1 ASN A 47 -1.495 12.735 -8.155 1.00 28.94 O ATOM 714 ND2 ASN A 47 -0.848 12.308 -10.273 1.00 30.57 N ATOM 715 HA ASN A 47 -1.047 10.506 -7.022 1.00 0.00 H ATOM 716 HB2 ASN A 47 1.094 11.915 -7.957 1.00 0.00 H ATOM 717 HB3 ASN A 47 0.825 10.824 -9.336 1.00 0.00 H ATOM 718 HD22 ASN A 47 -0.184 11.814 -10.903 1.00 0.00 H ATOM 719 HD21 ASN A 47 -1.598 12.907 -10.674 1.00 0.00 H ATOM 720 H ASN A 47 0.655 10.082 -5.499 1.00 0.00 H ATOM 721 N LYS A 48 -0.115 7.771 -7.678 1.00 18.64 N ATOM 722 CA LYS A 48 -0.523 6.511 -8.278 1.00 18.28 C ATOM 723 C LYS A 48 -1.442 5.813 -7.300 1.00 17.02 C ATOM 724 O LYS A 48 -1.219 5.885 -6.095 1.00 15.16 O ATOM 725 CB LYS A 48 0.684 5.665 -8.758 1.00 18.92 C ATOM 726 CG LYS A 48 1.555 4.972 -7.713 1.00 22.13 C ATOM 727 CD LYS A 48 3.064 5.111 -7.995 1.00 23.48 C ATOM 728 CE LYS A 48 3.903 5.006 -6.717 1.00 24.12 C ATOM 729 NZ LYS A 48 4.313 3.552 -6.426 1.00 25.11 N ATOM 730 HA LYS A 48 -1.079 6.684 -9.200 1.00 0.00 H ATOM 731 HB2 LYS A 48 0.291 4.889 -9.415 1.00 0.00 H ATOM 732 HB3 LYS A 48 1.334 6.328 -9.329 1.00 0.00 H ATOM 733 HG2 LYS A 48 1.342 5.410 -6.738 1.00 0.00 H ATOM 734 HG3 LYS A 48 1.301 3.912 -7.697 1.00 0.00 H ATOM 735 HD2 LYS A 48 3.368 4.320 -8.681 1.00 0.00 H ATOM 736 HD3 LYS A 48 3.247 6.081 -8.457 1.00 0.00 H ATOM 737 HE2 LYS A 48 3.319 5.384 -5.878 1.00 0.00 H ATOM 738 HE3 LYS A 48 4.802 5.611 -6.833 1.00 0.00 H ATOM 739 HZ1 LYS A 48 3.460 2.970 -6.308 1.00 0.00 H ATOM 740 HZ2 LYS A 48 4.876 3.186 -7.220 1.00 0.00 H ATOM 741 HZ3 LYS A 48 4.879 3.521 -5.554 1.00 0.00 H ATOM 742 H LYS A 48 0.402 7.775 -6.775 1.00 0.00 H ATOM 743 N LEU A 49 -2.502 5.203 -7.851 1.00 15.88 N ATOM 744 CA LEU A 49 -3.515 4.484 -7.093 1.00 16.28 C ATOM 745 C LEU A 49 -3.312 2.993 -7.352 1.00 14.82 C ATOM 746 O LEU A 49 -3.030 2.588 -8.491 1.00 14.10 O ATOM 747 CB LEU A 49 -4.889 4.893 -7.606 1.00 17.60 C ATOM 748 CG LEU A 49 -6.197 4.565 -6.861 1.00 20.66 C ATOM 749 CD1 LEU A 49 -7.303 4.211 -7.869 1.00 23.01 C ATOM 750 CD2 LEU A 49 -6.063 3.463 -5.860 1.00 24.80 C ATOM 751 HA LEU A 49 -3.439 4.706 -6.028 1.00 0.00 H ATOM 752 HB2 LEU A 49 -4.863 5.978 -7.702 1.00 0.00 H ATOM 753 HB3 LEU A 49 -4.986 4.444 -8.595 1.00 0.00 H ATOM 754 HG LEU A 49 -6.458 5.464 -6.302 1.00 0.00 H ATOM 755 HD21 LEU A 49 -5.741 2.552 -6.365 1.00 0.00 H ATOM 756 HD22 LEU A 49 -5.325 3.744 -5.109 1.00 0.00 H ATOM 757 HD23 LEU A 49 -7.026 3.292 -5.379 1.00 0.00 H ATOM 758 HD11 LEU A 49 -7.471 5.058 -8.534 1.00 0.00 H ATOM 759 HD12 LEU A 49 -6.996 3.344 -8.454 1.00 0.00 H ATOM 760 HD13 LEU A 49 -8.223 3.981 -7.331 1.00 0.00 H ATOM 761 H LEU A 49 -2.606 5.247 -8.885 1.00 0.00 H ATOM 762 N GLY A 50 -3.460 2.157 -6.323 1.00 13.25 N ATOM 763 CA GLY A 50 -3.447 0.727 -6.570 1.00 11.50 C ATOM 764 C GLY A 50 -3.525 -0.130 -5.348 1.00 10.41 C ATOM 765 O GLY A 50 -3.588 0.386 -4.224 1.00 9.93 O ATOM 766 HA3 GLY A 50 -2.523 0.483 -7.095 1.00 0.00 H ATOM 767 HA2 GLY A 50 -4.299 0.486 -7.206 1.00 0.00 H ATOM 768 H GLY A 50 -3.583 2.525 -5.358 1.00 0.00 H ATOM 769 N LEU A 51 -3.477 -1.439 -5.587 1.00 8.94 N ATOM 770 CA LEU A 51 -3.565 -2.435 -4.517 1.00 9.27 C ATOM 771 C LEU A 51 -2.186 -2.895 -4.065 1.00 9.28 C ATOM 772 O LEU A 51 -1.234 -2.919 -4.853 1.00 7.95 O ATOM 773 CB LEU A 51 -4.345 -3.626 -5.001 1.00 10.38 C ATOM 774 CG LEU A 51 -5.774 -3.275 -5.430 1.00 11.92 C ATOM 775 CD1 LEU A 51 -6.302 -4.262 -6.406 1.00 13.91 C ATOM 776 CD2 LEU A 51 -6.707 -3.155 -4.223 1.00 12.60 C ATOM 777 HA LEU A 51 -4.067 -1.970 -3.669 1.00 0.00 H ATOM 778 HB2 LEU A 51 -3.823 -4.060 -5.854 1.00 0.00 H ATOM 779 HB3 LEU A 51 -4.394 -4.359 -4.196 1.00 0.00 H ATOM 780 HG LEU A 51 -5.735 -2.303 -5.921 1.00 0.00 H ATOM 781 HD21 LEU A 51 -6.730 -4.104 -3.687 1.00 0.00 H ATOM 782 HD22 LEU A 51 -6.342 -2.371 -3.560 1.00 0.00 H ATOM 783 HD23 LEU A 51 -7.711 -2.905 -4.565 1.00 0.00 H ATOM 784 HD11 LEU A 51 -5.666 -4.272 -7.291 1.00 0.00 H ATOM 785 HD12 LEU A 51 -6.309 -5.253 -5.951 1.00 0.00 H ATOM 786 HD13 LEU A 51 -7.317 -3.984 -6.689 1.00 0.00 H ATOM 787 H LEU A 51 -3.373 -1.766 -6.569 1.00 0.00 H ATOM 788 N PHE A 52 -2.088 -3.274 -2.797 1.00 8.53 N ATOM 789 CA PHE A 52 -0.836 -3.697 -2.238 1.00 7.69 C ATOM 790 C PHE A 52 -1.145 -4.635 -1.087 1.00 7.46 C ATOM 791 O PHE A 52 -2.271 -4.612 -0.524 1.00 6.52 O ATOM 792 CB PHE A 52 0.002 -2.497 -1.763 1.00 8.17 C ATOM 793 CG PHE A 52 -0.621 -1.721 -0.629 1.00 8.10 C ATOM 794 CD1 PHE A 52 -0.436 -2.119 0.688 1.00 9.78 C ATOM 795 CD2 PHE A 52 -1.404 -0.612 -0.886 1.00 8.49 C ATOM 796 CE1 PHE A 52 -1.027 -1.418 1.733 1.00 9.36 C ATOM 797 CE2 PHE A 52 -1.992 0.116 0.153 1.00 10.16 C ATOM 798 CZ PHE A 52 -1.815 -0.289 1.452 1.00 11.37 C ATOM 799 HA PHE A 52 -0.242 -4.207 -2.996 1.00 0.00 H ATOM 800 HB2 PHE A 52 0.973 -2.866 -1.433 1.00 0.00 H ATOM 801 HB3 PHE A 52 0.140 -1.820 -2.606 1.00 0.00 H ATOM 802 HD2 PHE A 52 -1.566 -0.299 -1.917 1.00 0.00 H ATOM 803 HE2 PHE A 52 -2.588 1.001 -0.068 1.00 0.00 H ATOM 804 HZ PHE A 52 -2.285 0.264 2.265 1.00 0.00 H ATOM 805 HE1 PHE A 52 -0.880 -1.742 2.763 1.00 0.00 H ATOM 806 HD1 PHE A 52 0.180 -2.992 0.905 1.00 0.00 H ATOM 807 H PHE A 52 -2.937 -3.264 -2.196 1.00 0.00 H ATOM 808 N PRO A 53 -0.168 -5.441 -0.688 1.00 7.70 N ATOM 809 CA PRO A 53 -0.488 -6.392 0.385 1.00 8.74 C ATOM 810 C PRO A 53 -0.679 -5.739 1.768 1.00 8.75 C ATOM 811 O PRO A 53 0.158 -4.935 2.223 1.00 9.87 O ATOM 812 CB PRO A 53 0.728 -7.321 0.386 1.00 9.47 C ATOM 813 CG PRO A 53 1.376 -7.114 -0.954 1.00 7.31 C ATOM 814 CD PRO A 53 1.181 -5.681 -1.215 1.00 9.06 C ATOM 815 HA PRO A 53 -1.441 -6.890 0.205 1.00 0.00 H ATOM 816 HD3 PRO A 53 1.922 -5.080 -0.688 1.00 0.00 H ATOM 817 HD2 PRO A 53 1.231 -5.464 -2.282 1.00 0.00 H ATOM 818 HG3 PRO A 53 0.890 -7.719 -1.719 1.00 0.00 H ATOM 819 HG2 PRO A 53 2.437 -7.362 -0.916 1.00 0.00 H ATOM 820 HB2 PRO A 53 1.414 -7.053 1.189 1.00 0.00 H ATOM 821 HB3 PRO A 53 0.418 -8.359 0.506 1.00 0.00 H ATOM 822 N ALA A 54 -1.760 -6.104 2.444 1.00 8.07 N ATOM 823 CA ALA A 54 -2.080 -5.521 3.741 1.00 8.16 C ATOM 824 C ALA A 54 -0.988 -5.747 4.784 1.00 8.30 C ATOM 825 O ALA A 54 -0.709 -4.846 5.580 1.00 8.58 O ATOM 826 CB ALA A 54 -3.389 -6.086 4.248 1.00 8.36 C ATOM 827 HA ALA A 54 -2.161 -4.444 3.591 1.00 0.00 H ATOM 828 HB1 ALA A 54 -4.184 -5.850 3.540 1.00 0.00 H ATOM 829 HB2 ALA A 54 -3.301 -7.168 4.350 1.00 0.00 H ATOM 830 HB3 ALA A 54 -3.622 -5.646 5.218 1.00 0.00 H ATOM 831 H ALA A 54 -2.394 -6.823 2.040 1.00 0.00 H ATOM 832 N ASN A 55 -0.367 -6.929 4.767 1.00 8.14 N ATOM 833 CA ASN A 55 0.659 -7.270 5.777 1.00 7.70 C ATOM 834 C ASN A 55 2.076 -6.761 5.422 1.00 7.82 C ATOM 835 O ASN A 55 3.043 -7.073 6.121 1.00 8.10 O ATOM 836 CB ASN A 55 0.632 -8.761 6.087 1.00 8.04 C ATOM 837 CG ASN A 55 1.076 -9.617 4.934 1.00 8.13 C ATOM 838 OD1 ASN A 55 1.539 -9.126 3.893 1.00 8.14 O ATOM 839 ND2 ASN A 55 0.885 -10.925 5.085 1.00 8.79 N ATOM 840 HA ASN A 55 0.396 -6.731 6.687 1.00 0.00 H ATOM 841 HB2 ASN A 55 1.292 -8.951 6.933 1.00 0.00 H ATOM 842 HB3 ASN A 55 -0.387 -9.041 6.353 1.00 0.00 H ATOM 843 HD22 ASN A 55 0.494 -11.294 5.975 1.00 0.00 H ATOM 844 HD21 ASN A 55 1.127 -11.578 4.313 1.00 0.00 H ATOM 845 H ASN A 55 -0.609 -7.622 4.031 1.00 0.00 H ATOM 846 N TYR A 56 2.179 -5.955 4.353 1.00 7.44 N ATOM 847 CA TYR A 56 3.451 -5.287 4.000 1.00 7.86 C ATOM 848 C TYR A 56 3.627 -3.918 4.675 1.00 8.49 C ATOM 849 O TYR A 56 4.684 -3.316 4.542 1.00 8.43 O ATOM 850 CB TYR A 56 3.600 -5.117 2.479 1.00 7.54 C ATOM 851 CG TYR A 56 4.219 -6.281 1.737 1.00 6.55 C ATOM 852 CD1 TYR A 56 3.804 -7.587 1.982 1.00 6.86 C ATOM 853 CD2 TYR A 56 5.217 -6.077 0.797 1.00 8.21 C ATOM 854 CE1 TYR A 56 4.326 -8.656 1.268 1.00 6.48 C ATOM 855 CE2 TYR A 56 5.786 -7.143 0.091 1.00 9.68 C ATOM 856 CZ TYR A 56 5.336 -8.427 0.333 1.00 8.76 C ATOM 857 OH TYR A 56 5.866 -9.465 -0.370 1.00 9.55 O ATOM 858 HA TYR A 56 4.232 -5.949 4.375 1.00 0.00 H ATOM 859 HB3 TYR A 56 4.222 -4.240 2.301 1.00 0.00 H ATOM 860 HB2 TYR A 56 2.607 -4.947 2.064 1.00 0.00 H ATOM 861 HD2 TYR A 56 5.567 -5.063 0.603 1.00 0.00 H ATOM 862 HE2 TYR A 56 6.574 -6.963 -0.640 1.00 0.00 H ATOM 863 HE1 TYR A 56 3.951 -9.665 1.436 1.00 0.00 H ATOM 864 HD1 TYR A 56 3.054 -7.774 2.750 1.00 0.00 H ATOM 865 HH TYR A 56 5.440 -10.310 -0.080 1.00 0.00 H ATOM 866 H TYR A 56 1.342 -5.796 3.757 1.00 0.00 H ATOM 867 N VAL A 57 2.616 -3.467 5.427 1.00 8.20 N ATOM 868 CA VAL A 57 2.606 -2.110 5.991 1.00 8.10 C ATOM 869 C VAL A 57 2.222 -2.153 7.461 1.00 9.46 C ATOM 870 O VAL A 57 1.696 -3.178 7.949 1.00 9.67 O ATOM 871 CB VAL A 57 1.636 -1.166 5.240 1.00 7.77 C ATOM 872 CG1 VAL A 57 2.015 -1.100 3.758 1.00 5.59 C ATOM 873 CG2 VAL A 57 0.195 -1.598 5.443 1.00 7.15 C ATOM 874 HA VAL A 57 3.615 -1.715 5.877 1.00 0.00 H ATOM 875 HB VAL A 57 1.725 -0.161 5.652 1.00 0.00 H ATOM 876 HG11 VAL A 57 3.033 -0.722 3.661 1.00 0.00 H ATOM 877 HG12 VAL A 57 1.954 -2.098 3.324 1.00 0.00 H ATOM 878 HG13 VAL A 57 1.327 -0.434 3.238 1.00 0.00 H ATOM 879 HG21 VAL A 57 0.064 -2.611 5.063 1.00 0.00 H ATOM 880 HG22 VAL A 57 -0.044 -1.574 6.506 1.00 0.00 H ATOM 881 HG23 VAL A 57 -0.466 -0.918 4.905 1.00 0.00 H ATOM 882 H VAL A 57 1.811 -4.097 5.618 1.00 0.00 H ATOM 883 N ALA A 58 2.560 -1.067 8.145 1.00 10.09 N ATOM 884 CA ALA A 58 2.117 -0.795 9.497 1.00 11.32 C ATOM 885 C ALA A 58 1.141 0.381 9.521 1.00 11.97 C ATOM 886 O ALA A 58 1.505 1.529 9.222 1.00 12.09 O ATOM 887 CB ALA A 58 3.316 -0.526 10.407 1.00 11.77 C ATOM 888 HA ALA A 58 1.593 -1.674 9.871 1.00 0.00 H ATOM 889 HB1 ALA A 58 3.967 -1.400 10.415 1.00 0.00 H ATOM 890 HB2 ALA A 58 3.868 0.337 10.033 1.00 0.00 H ATOM 891 HB3 ALA A 58 2.964 -0.324 11.419 1.00 0.00 H ATOM 892 H ALA A 58 3.179 -0.371 7.683 1.00 0.00 H ATOM 893 N PRO A 59 -0.118 0.108 9.878 1.00 13.23 N ATOM 894 CA PRO A 59 -1.069 1.187 10.051 1.00 14.40 C ATOM 895 C PRO A 59 -0.510 2.212 11.050 1.00 15.00 C ATOM 896 O PRO A 59 0.071 1.833 12.072 1.00 14.40 O ATOM 897 CB PRO A 59 -2.297 0.472 10.633 1.00 14.21 C ATOM 898 CG PRO A 59 -2.155 -0.923 10.294 1.00 12.71 C ATOM 899 CD PRO A 59 -0.721 -1.209 10.169 1.00 13.68 C ATOM 900 HA PRO A 59 -1.291 1.734 9.135 1.00 0.00 H ATOM 901 HD3 PRO A 59 -0.325 -1.620 11.098 1.00 0.00 H ATOM 902 HD2 PRO A 59 -0.535 -1.909 9.355 1.00 0.00 H ATOM 903 HG3 PRO A 59 -2.658 -1.129 9.349 1.00 0.00 H ATOM 904 HG2 PRO A 59 -2.590 -1.542 11.079 1.00 0.00 H ATOM 905 HB2 PRO A 59 -2.328 0.596 11.715 1.00 0.00 H ATOM 906 HB3 PRO A 59 -3.211 0.875 10.196 1.00 0.00 H ATOM 907 N MET A 60 -0.649 3.489 10.722 1.00 16.23 N ATOM 908 CA MET A 60 -0.117 4.561 11.551 1.00 17.63 C ATOM 909 C MET A 60 -1.232 5.120 12.439 1.00 19.38 C ATOM 910 O MET A 60 -2.393 4.982 12.085 1.00 19.37 O ATOM 911 CB MET A 60 0.523 5.599 10.630 1.00 18.49 C ATOM 912 CG MET A 60 1.765 5.010 9.912 1.00 19.32 C ATOM 913 SD MET A 60 2.475 5.977 8.551 1.00 27.73 S ATOM 914 CE MET A 60 3.485 7.106 9.511 1.00 19.83 C ATOM 915 HA MET A 60 0.658 4.207 12.231 1.00 0.00 H ATOM 916 HB2 MET A 60 -0.206 5.912 9.883 1.00 0.00 H ATOM 917 HB3 MET A 60 0.828 6.462 11.222 1.00 0.00 H ATOM 918 HG2 MET A 60 1.481 4.038 9.510 1.00 0.00 H ATOM 919 HG3 MET A 60 2.545 4.878 10.662 1.00 0.00 H ATOM 920 HE1 MET A 60 2.848 7.677 10.187 1.00 0.00 H ATOM 921 HE2 MET A 60 4.213 6.538 10.090 1.00 0.00 H ATOM 922 HE3 MET A 60 4.006 7.787 8.838 1.00 0.00 H ATOM 923 H MET A 60 -1.153 3.732 9.846 1.00 0.00 H ATOM 924 N MET A 61 -0.867 5.650 13.621 1.00 22.32 N ATOM 925 CA MET A 61 -1.704 6.510 14.552 1.00 23.94 C ATOM 926 C MET A 61 -2.184 5.937 15.915 1.00 25.25 C ATOM 927 O MET A 61 -2.122 6.612 17.002 1.00 26.55 O ATOM 928 CB MET A 61 -2.863 7.194 13.804 1.00 24.86 C ATOM 929 CG MET A 61 -2.315 8.227 12.880 1.00 25.94 C ATOM 930 SD MET A 61 -3.481 9.037 11.761 1.00 38.99 S ATOM 931 CE MET A 61 -3.169 8.143 10.234 1.00 26.97 C ATOM 932 HA MET A 61 -0.954 7.231 14.878 1.00 0.00 H ATOM 933 HB2 MET A 61 -3.416 6.450 13.231 1.00 0.00 H ATOM 934 HB3 MET A 61 -3.532 7.667 14.523 1.00 0.00 H ATOM 935 HG2 MET A 61 -1.552 7.747 12.267 1.00 0.00 H ATOM 936 HG3 MET A 61 -1.854 9.003 13.491 1.00 0.00 H ATOM 937 HE1 MET A 61 -2.126 8.273 9.945 1.00 0.00 H ATOM 938 HE2 MET A 61 -3.376 7.084 10.386 1.00 0.00 H ATOM 939 HE3 MET A 61 -3.816 8.532 9.448 1.00 0.00 H ATOM 940 H MET A 61 0.104 5.446 13.934 1.00 0.00 H TER 941 MET A 61 HETATM 942 O HOH 1 -13.962 -2.470 10.306 1.00 44.81 O HETATM 943 O HOH 2 -7.386 -0.237 13.059 1.00 15.53 O HETATM 944 O HOH 3 -10.920 6.082 6.594 1.00 28.94 O HETATM 945 O HOH 4 -9.357 2.641 4.954 1.00 25.05 O HETATM 946 O HOH 5 -5.787 9.571 4.309 1.00 22.71 O HETATM 947 O HOH 6 -4.376 5.667 9.844 1.00 15.75 O HETATM 948 O HOH 7 6.508 4.793 11.422 1.00 30.81 O HETATM 949 O HOH 8 12.175 5.534 5.923 1.00 27.06 O HETATM 950 O HOH 9 11.199 -4.532 7.644 1.00 28.79 O HETATM 951 O HOH 10 9.060 -6.435 9.775 1.00 20.53 O HETATM 952 O HOH 11 8.463 -7.198 -3.359 1.00 23.58 O HETATM 953 O HOH 12 8.311 -1.073 -6.048 1.00 32.97 O HETATM 954 O HOH 13 5.639 -8.347 -5.664 1.00 12.94 O HETATM 955 O HOH 14 6.934 -1.554 -8.263 1.00 19.94 O HETATM 956 O HOH 15 4.846 -8.302 -14.369 1.00 31.53 O HETATM 957 O HOH 16 -3.294 1.026 -12.894 1.00 30.63 O HETATM 958 O HOH 17 -8.135 -5.089 -9.430 1.00 20.49 O HETATM 959 O HOH 18 -5.122 0.013 -9.550 1.00 42.49 O HETATM 960 O HOH 19 1.144 -1.117 -11.433 1.00 19.69 O HETATM 961 O HOH 20 4.056 0.950 -8.688 1.00 22.25 O HETATM 962 O HOH 21 12.805 0.599 6.627 1.00 19.38 O HETATM 963 O HOH 22 11.374 5.372 2.478 1.00 26.54 O HETATM 964 O HOH 23 13.188 2.681 1.193 1.00 22.51 O HETATM 965 O HOH 24 7.950 4.350 -4.513 1.00 23.60 O HETATM 966 O HOH 25 -1.953 11.149 -0.828 1.00 22.31 O HETATM 967 O HOH 26 -7.986 7.688 3.503 1.00 31.02 O HETATM 968 O HOH 27 -11.979 5.696 3.508 1.00 39.78 O HETATM 969 O HOH 28 -8.336 -5.519 6.752 1.00 17.57 O HETATM 970 O HOH 29 -11.393 1.068 4.598 1.00 20.55 O HETATM 971 O HOH 30 -11.169 -1.013 7.293 1.00 22.39 O HETATM 972 O HOH 31 -14.097 -5.502 1.606 1.00 10.65 O HETATM 973 O HOH 32 -12.781 -6.223 -0.755 1.00 13.63 O HETATM 974 O HOH 33 -4.151 -7.708 7.230 1.00 31.52 O HETATM 975 O HOH 34 -4.342 -13.909 0.353 1.00 13.75 O HETATM 976 O HOH 35 -8.713 -11.679 1.142 1.00 24.40 O HETATM 977 O HOH 36 -1.776 -9.290 3.235 1.00 16.41 O HETATM 978 O HOH 37 -8.701 -2.802 -1.334 1.00 23.14 O HETATM 979 O HOH 38 -2.701 8.384 -11.257 1.00 34.08 O HETATM 980 O HOH 39 -2.170 0.823 -10.309 1.00 33.87 O HETATM 981 O HOH 40 -1.987 -5.986 7.607 1.00 18.12 O HETATM 982 O HOH 41 -1.292 -3.626 7.871 1.00 27.78 O HETATM 983 O HOH 42 4.305 -8.202 7.967 1.00 10.97 O HETATM 984 O HOH 43 -1.131 -11.716 2.518 1.00 12.52 O HETATM 985 O HOH 44 6.835 -8.940 -2.854 1.00 21.78 O HETATM 986 O HOH 45 0.645 -0.472 13.209 1.00 19.43 O HETATM 987 O HOH 46 -4.482 5.229 15.737 1.00 29.84 O HETATM 988 O HOH 47 2.081 5.960 13.828 1.00 24.45 O HETATM 989 O HOH 48 12.315 -7.775 3.334 1.00 22.18 O HETATM 990 O HOH 49 11.619 -11.017 4.842 1.00 28.24 O HETATM 991 O HOH 50 8.221 -11.851 -0.837 1.00 35.77 O HETATM 992 O HOH 51 2.119 -13.101 3.478 1.00 15.72 O HETATM 993 O HOH 52 1.095 -10.605 1.495 1.00 8.11 O HETATM 994 O HOH 53 2.426 -15.921 -2.621 1.00 15.84 O HETATM 995 O HOH 54 0.675 -14.871 1.419 1.00 28.89 O HETATM 996 O HOH 55 5.487 -14.242 -3.064 1.00 15.98 O HETATM 997 O HOH 56 -15.063 -7.145 -7.234 1.00 40.14 O HETATM 998 O HOH 57 -2.001 -16.900 0.371 1.00 18.57 O HETATM 999 O HOH 58 -11.650 -9.679 -4.584 1.00 39.57 O HETATM 1000 O HOH 59 -9.971 -10.692 -1.901 1.00 24.58 O HETATM 1001 O HOH 60 -9.395 -8.983 -9.477 1.00 24.99 O HETATM 1002 O HOH 61 -13.995 -5.545 -5.636 1.00 33.26 O HETATM 1003 O HOH 62 -9.100 -3.148 -10.819 1.00 41.78 O HETATM 1004 N PRO A 63 10.874 -9.903 2.456 1.00 0.25 N HETATM 1005 CA PRO A 63 9.474 -9.689 2.792 1.00 0.07 C HETATM 1006 C PRO A 63 8.672 -10.973 2.896 1.00 0.23 C HETATM 1007 O PRO A 63 9.140 -12.024 2.466 1.00 -0.39 O HETATM 1008 N PRO A 63 7.440 -10.868 3.416 1.00 -0.25 N HETATM 1009 CA PRO A 63 6.496 -11.963 3.363 1.00 0.13 C HETATM 1010 C PRO A 63 6.132 -12.310 1.928 1.00 0.21 C HETATM 1011 O PRO A 63 6.321 -11.468 1.006 1.00 -0.39 O HETATM 1012 N PRO A 63 5.534 -13.495 1.744 1.00 -0.25 N HETATM 1013 CA PRO A 63 4.996 -13.868 0.471 1.00 0.13 C HETATM 1014 C PRO A 63 3.899 -12.887 0.054 1.00 0.20 C HETATM 1015 O PRO A 63 3.221 -12.320 0.919 1.00 -0.39 O HETATM 1016 N PRO A 63 3.740 -12.706 -1.253 1.00 -0.26 N HETATM 1017 CA PRO A 63 2.629 -11.938 -1.776 1.00 0.13 C HETATM 1018 C PRO A 63 1.316 -12.606 -1.360 1.00 0.21 C HETATM 1019 O PRO A 63 1.285 -13.828 -1.100 1.00 -0.39 O HETATM 1020 N PRO A 63 0.233 -11.821 -1.275 1.00 -0.25 N HETATM 1021 CA PRO A 63 -1.085 -12.469 -1.084 1.00 0.13 C HETATM 1022 C PRO A 63 -1.442 -13.237 -2.347 1.00 0.20 C HETATM 1023 O PRO A 63 -0.934 -12.907 -3.413 1.00 -0.39 O HETATM 1024 N PRO A 63 -2.268 -14.273 -2.209 1.00 -0.26 N HETATM 1025 CA PRO A 63 -2.775 -15.010 -3.346 1.00 0.16 C HETATM 1026 C PRO A 63 -4.282 -14.850 -3.507 1.00 0.21 C HETATM 1027 O PRO A 63 -4.867 -15.386 -4.451 1.00 -0.39 O HETATM 1028 N PRO A 63 -4.944 -14.106 -2.625 1.00 -0.26 N HETATM 1029 CA PRO A 63 -6.367 -13.882 -2.807 1.00 0.13 C HETATM 1030 C PRO A 63 -6.595 -13.090 -4.095 1.00 0.21 C HETATM 1031 O PRO A 63 -5.731 -12.275 -4.488 1.00 -0.39 O HETATM 1032 N PRO A 63 -7.765 -13.278 -4.747 1.00 -0.25 N HETATM 1033 CA PRO A 63 -8.113 -12.402 -5.876 1.00 0.13 C HETATM 1034 C PRO A 63 -8.193 -10.959 -5.410 1.00 0.20 C HETATM 1035 O PRO A 63 -8.568 -10.713 -4.266 1.00 -0.39 O HETATM 1036 N PRO A 63 -7.797 -10.024 -6.261 1.00 -0.26 N HETATM 1037 CA PRO A 63 -7.769 -8.623 -5.870 1.00 0.13 C HETATM 1038 C PRO A 63 -9.133 -7.996 -6.079 1.00 0.21 C HETATM 1039 O PRO A 63 -9.836 -8.311 -7.051 1.00 -0.39 O HETATM 1040 N PRO A 63 -9.534 -7.112 -5.166 1.00 -0.25 N HETATM 1041 CA PRO A 63 -10.766 -6.388 -5.444 1.00 0.13 C HETATM 1042 C PRO A 63 -10.564 -5.399 -6.582 1.00 0.20 C HETATM 1043 O PRO A 63 -9.430 -5.072 -6.912 1.00 -0.39 O HETATM 1044 N PRO A 63 -11.647 -4.920 -7.185 1.00 -0.26 N HETATM 1045 CA PRO A 63 -11.514 -3.889 -8.213 1.00 0.13 C HETATM 1046 C PRO A 63 -11.250 -2.526 -7.592 1.00 0.20 C HETATM 1047 O PRO A 63 -11.564 -2.300 -6.422 1.00 -0.39 O HETATM 1048 N PRO A 63 -10.610 -1.636 -8.349 1.00 -0.27 N HETATM 1049 CA PRO A 63 -10.630 -0.200 -8.016 1.00 0.11 C HETATM 1050 C PRO A 63 -10.979 0.638 -9.225 1.00 0.12 C HETATM 1051 O PRO A 63 -10.667 0.253 -10.348 1.00 -0.37 O HETATM 1052 H96 PRO A 63 -11.507 1.582 -9.100 1.00 0.14 H HETATM 1053 CB PRO A 63 -9.314 0.262 -7.395 1.00 -0.01 C HETATM 1054 CG PRO A 63 -7.975 -0.403 -7.736 1.00 -0.04 C HETATM 1055 CD1 PRO A 63 -7.649 -0.283 -9.184 1.00 -0.06 C HETATM 1056 H100 PRO A 63 -6.684 -0.772 -9.384 1.00 0.02 H HETATM 1057 H101 PRO A 63 -7.586 0.780 -9.459 1.00 0.02 H HETATM 1058 H102 PRO A 63 -8.437 -0.769 -9.779 1.00 0.02 H HETATM 1059 CD2 PRO A 63 -6.923 0.265 -6.906 1.00 -0.06 C HETATM 1060 H103 PRO A 63 -7.179 0.167 -5.841 1.00 0.02 H HETATM 1061 H104 PRO A 63 -6.867 1.331 -7.173 1.00 0.02 H HETATM 1062 H105 PRO A 63 -5.950 -0.212 -7.094 1.00 0.02 H HETATM 1063 H99 PRO A 63 -8.025 -1.470 -7.476 1.00 0.03 H HETATM 1064 H97 PRO A 63 -9.437 0.165 -6.306 1.00 0.03 H HETATM 1065 H98 PRO A 63 -9.206 1.324 -7.659 1.00 0.03 H HETATM 1066 H95 PRO A 63 -11.420 -0.048 -7.266 1.00 0.08 H HETATM 1067 H94 PRO A 63 -10.108 -1.947 -9.156 1.00 0.19 H HETATM 1068 CB PRO A 63 -12.749 -3.834 -9.112 1.00 -0.01 C HETATM 1069 CG PRO A 63 -12.804 -4.912 -10.207 1.00 -0.04 C HETATM 1070 CD1 PRO A 63 -11.423 -5.567 -10.499 1.00 -0.06 C HETATM 1071 H88 PRO A 63 -11.536 -6.325 -11.288 1.00 0.02 H HETATM 1072 H89 PRO A 63 -11.043 -6.045 -9.584 1.00 0.02 H HETATM 1073 H90 PRO A 63 -10.714 -4.795 -10.831 1.00 0.02 H HETATM 1074 CD2 PRO A 63 -13.831 -5.977 -9.902 1.00 -0.06 C HETATM 1075 H91 PRO A 63 -14.802 -5.502 -9.697 1.00 0.02 H HETATM 1076 H92 PRO A 63 -13.512 -6.553 -9.021 1.00 0.02 H HETATM 1077 H93 PRO A 63 -13.927 -6.652 -10.766 1.00 0.02 H HETATM 1078 H87 PRO A 63 -13.122 -4.407 -11.131 1.00 0.03 H HETATM 1079 H85 PRO A 63 -12.771 -2.849 -9.601 1.00 0.03 H HETATM 1080 H86 PRO A 63 -13.639 -3.948 -8.476 1.00 0.03 H HETATM 1081 H84 PRO A 63 -10.649 -4.150 -8.841 1.00 0.08 H HETATM 1082 H83 PRO A 63 -12.552 -5.264 -6.936 1.00 0.19 H HETATM 1083 CB PRO A 63 -11.055 -5.655 -4.128 1.00 -0.01 C HETATM 1084 CG PRO A 63 -9.760 -5.672 -3.347 1.00 -0.03 C HETATM 1085 CD PRO A 63 -8.936 -6.778 -3.859 1.00 0.04 C HETATM 1086 H81 PRO A 63 -7.890 -6.459 -3.980 1.00 0.05 H HETATM 1087 H82 PRO A 63 -8.980 -7.642 -3.179 1.00 0.05 H HETATM 1088 H79 PRO A 63 -9.970 -5.827 -2.278 1.00 0.03 H HETATM 1089 H80 PRO A 63 -9.230 -4.718 -3.482 1.00 0.03 H HETATM 1090 H77 PRO A 63 -11.846 -6.174 -3.567 1.00 0.03 H HETATM 1091 H78 PRO A 63 -11.367 -4.619 -4.328 1.00 0.03 H HETATM 1092 H76 PRO A 63 -11.582 -7.080 -5.697 1.00 0.08 H HETATM 1093 CB PRO A 63 -6.702 -7.852 -6.656 1.00 -0.01 C HETATM 1094 CG PRO A 63 -5.303 -8.020 -6.089 1.00 -0.04 C HETATM 1095 CD PRO A 63 -4.222 -7.427 -6.941 1.00 -0.01 C HETATM 1096 CE PRO A 63 -3.853 -8.367 -8.061 1.00 -0.04 C HETATM 1097 NZ PRO A 63 -2.810 -7.834 -8.931 1.00 0.22 N HETATM 1098 H73 PRO A 63 -2.605 -8.502 -9.658 1.00 0.20 H HETATM 1099 H74 PRO A 63 -1.978 -7.660 -8.390 1.00 0.20 H HETATM 1100 H75 PRO A 63 -3.127 -6.972 -9.346 1.00 0.20 H HETATM 1101 H71 PRO A 63 -4.750 -8.560 -8.667 1.00 0.08 H HETATM 1102 H72 PRO A 63 -3.496 -9.311 -7.623 1.00 0.08 H HETATM 1103 H69 PRO A 63 -3.334 -7.239 -6.319 1.00 0.03 H HETATM 1104 H70 PRO A 63 -4.578 -6.478 -7.368 1.00 0.03 H HETATM 1105 H67 PRO A 63 -5.103 -9.096 -5.976 1.00 0.03 H HETATM 1106 H68 PRO A 63 -5.270 -7.535 -5.102 1.00 0.03 H HETATM 1107 H65 PRO A 63 -6.960 -6.783 -6.639 1.00 0.03 H HETATM 1108 H66 PRO A 63 -6.704 -8.213 -7.695 1.00 0.03 H HETATM 1109 H64 PRO A 63 -7.519 -8.566 -4.800 1.00 0.08 H HETATM 1110 H63 PRO A 63 -7.514 -10.285 -7.184 1.00 0.19 H HETATM 1111 CB PRO A 63 -9.482 -12.910 -6.311 1.00 -0.01 C HETATM 1112 CG PRO A 63 -9.498 -14.306 -5.879 1.00 -0.03 C HETATM 1113 CD PRO A 63 -8.778 -14.315 -4.550 1.00 0.04 C HETATM 1114 H61 PRO A 63 -9.458 -14.058 -3.725 1.00 0.05 H HETATM 1115 H62 PRO A 63 -8.316 -15.293 -4.352 1.00 0.05 H HETATM 1116 H59 PRO A 63 -8.973 -14.942 -6.607 1.00 0.03 H HETATM 1117 H60 PRO A 63 -10.532 -14.662 -5.760 1.00 0.03 H HETATM 1118 H57 PRO A 63 -9.597 -12.838 -7.403 1.00 0.03 H HETATM 1119 H58 PRO A 63 -10.284 -12.340 -5.820 1.00 0.03 H HETATM 1120 H56 PRO A 63 -7.380 -12.491 -6.691 1.00 0.08 H HETATM 1121 CB PRO A 63 -6.936 -13.124 -1.645 1.00 -0.02 C HETATM 1122 H53 PRO A 63 -8.013 -12.965 -1.803 1.00 0.03 H HETATM 1123 H54 PRO A 63 -6.431 -12.151 -1.559 1.00 0.03 H HETATM 1124 H55 PRO A 63 -6.782 -13.700 -0.721 1.00 0.03 H HETATM 1125 H52 PRO A 63 -6.876 -14.854 -2.884 1.00 0.08 H HETATM 1126 H51 PRO A 63 -4.466 -13.705 -1.844 1.00 0.19 H HETATM 1127 CB PRO A 63 -2.458 -16.507 -3.226 1.00 0.09 C HETATM 1128 OG1 PRO A 63 -3.062 -17.040 -2.034 1.00 -0.39 O HETATM 1129 H47 PRO A 63 -2.718 -16.584 -1.275 1.00 0.21 H HETATM 1130 CG2 PRO A 63 -0.963 -16.728 -3.197 1.00 -0.03 C HETATM 1131 H48 PRO A 63 -0.753 -17.804 -3.111 1.00 0.03 H HETATM 1132 H49 PRO A 63 -0.531 -16.200 -2.334 1.00 0.03 H HETATM 1133 H50 PRO A 63 -0.517 -16.341 -4.125 1.00 0.03 H HETATM 1134 H46 PRO A 63 -2.875 -17.029 -4.100 1.00 0.06 H HETATM 1135 H45 PRO A 63 -2.284 -14.618 -4.249 1.00 0.08 H HETATM 1136 H44 PRO A 63 -2.547 -14.550 -1.290 1.00 0.19 H HETATM 1137 CB PRO A 63 -2.043 -11.307 -0.874 1.00 -0.01 C HETATM 1138 CG PRO A 63 -1.212 -10.089 -0.780 1.00 -0.03 C HETATM 1139 CD PRO A 63 0.126 -10.364 -1.354 1.00 0.04 C HETATM 1140 H42 PRO A 63 0.185 -10.021 -2.397 1.00 0.05 H HETATM 1141 H43 PRO A 63 0.916 -9.878 -0.762 1.00 0.05 H HETATM 1142 H40 PRO A 63 -1.106 -9.797 0.275 1.00 0.03 H HETATM 1143 H41 PRO A 63 -1.692 -9.273 -1.340 1.00 0.03 H HETATM 1144 H38 PRO A 63 -2.615 -11.449 0.055 1.00 0.03 H HETATM 1145 H39 PRO A 63 -2.737 -11.229 -1.724 1.00 0.03 H HETATM 1146 H37 PRO A 63 -1.082 -13.144 -0.215 1.00 0.08 H HETATM 1147 CB PRO A 63 2.682 -11.858 -3.297 1.00 -0.01 C HETATM 1148 CG PRO A 63 3.861 -11.080 -3.879 1.00 -0.02 C HETATM 1149 CD PRO A 63 3.919 -11.234 -5.364 1.00 0.06 C HETATM 1150 NE PRO A 63 2.594 -11.145 -5.984 1.00 -0.27 N HETATM 1151 CZ PRO A 63 2.076 -10.052 -6.544 1.00 0.29 C HETATM 1152 NH1 PRO A 63 0.866 -10.116 -7.077 1.00 -0.28 N HETATM 1153 H33 PRO A 63 0.451 -9.281 -7.514 1.00 0.26 H HETATM 1154 H34 PRO A 63 0.340 -11.001 -7.055 1.00 0.26 H HETATM 1155 NH2 PRO A 63 2.754 -8.906 -6.585 1.00 -0.28 N HETATM 1156 H35 PRO A 63 3.696 -8.850 -6.172 1.00 0.26 H HETATM 1157 H36 PRO A 63 2.336 -8.076 -7.030 1.00 0.26 H HETATM 1158 H32 PRO A 63 2.015 -11.997 -5.987 1.00 0.26 H HETATM 1159 H30 PRO A 63 4.355 -12.215 -5.601 1.00 0.07 H HETATM 1160 H31 PRO A 63 4.557 -10.439 -5.777 1.00 0.07 H HETATM 1161 H28 PRO A 63 4.795 -11.460 -3.441 1.00 0.03 H HETATM 1162 H29 PRO A 63 3.747 -10.014 -3.631 1.00 0.03 H HETATM 1163 H26 PRO A 63 1.756 -11.376 -3.643 1.00 0.03 H HETATM 1164 H27 PRO A 63 2.729 -12.885 -3.688 1.00 0.03 H HETATM 1165 H25 PRO A 63 2.670 -10.920 -1.361 1.00 0.08 H HETATM 1166 H24 PRO A 63 4.400 -13.108 -1.888 1.00 0.19 H HETATM 1167 CB PRO A 63 4.363 -15.230 0.736 1.00 -0.01 C HETATM 1168 CG PRO A 63 4.911 -15.714 2.011 1.00 -0.03 C HETATM 1169 CD PRO A 63 5.258 -14.510 2.775 1.00 0.04 C HETATM 1170 H22 PRO A 63 4.419 -14.198 3.414 1.00 0.05 H HETATM 1171 H23 PRO A 63 6.148 -14.686 3.397 1.00 0.05 H HETATM 1172 H20 PRO A 63 5.806 -16.328 1.835 1.00 0.03 H HETATM 1173 H21 PRO A 63 4.159 -16.308 2.551 1.00 0.03 H HETATM 1174 H18 PRO A 63 4.616 -15.929 -0.074 1.00 0.03 H HETATM 1175 H19 PRO A 63 3.270 -15.132 0.807 1.00 0.03 H HETATM 1176 H17 PRO A 63 5.779 -13.922 -0.300 1.00 0.08 H HETATM 1177 CB PRO A 63 5.238 -11.397 4.050 1.00 -0.01 C HETATM 1178 CG PRO A 63 5.713 -10.218 4.821 1.00 -0.03 C HETATM 1179 CD PRO A 63 6.895 -9.701 4.127 1.00 0.04 C HETATM 1180 H15 PRO A 63 6.614 -8.909 3.417 1.00 0.05 H HETATM 1181 H16 PRO A 63 7.627 -9.306 4.846 1.00 0.05 H HETATM 1182 H13 PRO A 63 5.978 -10.518 5.846 1.00 0.03 H HETATM 1183 H14 PRO A 63 4.928 -9.448 4.856 1.00 0.03 H HETATM 1184 H11 PRO A 63 4.796 -12.146 4.724 1.00 0.03 H HETATM 1185 H12 PRO A 63 4.493 -11.093 3.300 1.00 0.03 H HETATM 1186 H10 PRO A 63 6.885 -12.850 3.885 1.00 0.08 H HETATM 1187 CB PRO A 63 8.906 -8.863 1.601 1.00 0.01 C HETATM 1188 CG PRO A 63 10.004 -8.690 0.617 1.00 -0.01 C HETATM 1189 CD PRO A 63 11.167 -9.580 1.041 1.00 -0.03 C HETATM 1190 H8 PRO A 63 11.202 -10.494 0.430 1.00 0.08 H HETATM 1191 H9 PRO A 63 12.123 -9.043 0.952 1.00 0.08 H HETATM 1192 H6 PRO A 63 10.327 -7.638 0.600 1.00 0.03 H HETATM 1193 H7 PRO A 63 9.656 -8.983 -0.385 1.00 0.03 H HETATM 1194 H4 PRO A 63 8.561 -7.881 1.956 1.00 0.03 H HETATM 1195 H5 PRO A 63 8.066 -9.401 1.137 1.00 0.03 H HETATM 1196 H3 PRO A 63 9.394 -9.131 3.737 1.00 0.11 H HETATM 1197 H1 PRO A 63 11.103 -10.870 2.622 1.00 0.20 H HETATM 1198 H2 PRO A 63 11.443 -9.317 3.047 1.00 0.20 H CONECT 1 2 19 20 21 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 1004 1005 1189 1197 1198 CONECT 1005 1004 1006 1187 1196 CONECT 1006 1005 1007 1008 CONECT 1007 1006 CONECT 1008 1006 1009 1179 CONECT 1009 1008 1010 1177 1186 CONECT 1010 1009 1011 1012 CONECT 1011 1010 CONECT 1012 1010 1013 1169 CONECT 1013 1012 1014 1167 1176 CONECT 1014 1013 1015 1016 CONECT 1015 1014 CONECT 1016 1014 1017 1166 CONECT 1017 1016 1018 1147 1165 CONECT 1018 1017 1019 1020 CONECT 1019 1018 CONECT 1020 1018 1021 1139 CONECT 1021 1020 1022 1137 1146 CONECT 1022 1021 1023 1024 CONECT 1023 1022 CONECT 1024 1022 1025 1136 CONECT 1025 1024 1026 1127 1135 CONECT 1026 1025 1027 1028 CONECT 1027 1026 CONECT 1028 1026 1029 1126 CONECT 1029 1028 1030 1121 1125 CONECT 1030 1029 1031 1032 CONECT 1031 1030 CONECT 1032 1030 1033 1113 CONECT 1033 1032 1034 1111 1120 CONECT 1034 1033 1035 1036 CONECT 1035 1034 CONECT 1036 1034 1037 1110 CONECT 1037 1036 1038 1093 1109 CONECT 1038 1037 1039 1040 CONECT 1039 1038 CONECT 1040 1038 1041 1085 CONECT 1041 1040 1042 1083 1092 CONECT 1042 1041 1043 1044 CONECT 1043 1042 CONECT 1044 1042 1045 1082 CONECT 1045 1044 1046 1068 1081 CONECT 1046 1045 1047 1048 CONECT 1047 1046 CONECT 1048 1046 1049 1067 CONECT 1049 1048 1050 1053 1066 CONECT 1050 1049 1051 1052 CONECT 1051 1050 CONECT 1052 1050 CONECT 1053 1049 1054 1064 1065 CONECT 1054 1053 1055 1059 1063 CONECT 1055 1054 1056 1057 1058 CONECT 1056 1055 CONECT 1057 1055 CONECT 1058 1055 CONECT 1059 1054 1060 1061 1062 CONECT 1060 1059 CONECT 1061 1059 CONECT 1062 1059 CONECT 1063 1054 CONECT 1064 1053 CONECT 1065 1053 CONECT 1066 1049 CONECT 1067 1048 CONECT 1068 1045 1069 1079 1080 CONECT 1069 1068 1070 1074 1078 CONECT 1070 1069 1071 1072 1073 CONECT 1071 1070 CONECT 1072 1070 CONECT 1073 1070 CONECT 1074 1069 1075 1076 1077 CONECT 1075 1074 CONECT 1076 1074 CONECT 1077 1074 CONECT 1078 1069 CONECT 1079 1068 CONECT 1080 1068 CONECT 1081 1045 CONECT 1082 1044 CONECT 1083 1041 1084 1090 1091 CONECT 1084 1083 1085 1088 1089 CONECT 1085 1040 1084 1086 1087 CONECT 1086 1085 CONECT 1087 1085 CONECT 1088 1084 CONECT 1089 1084 CONECT 1090 1083 CONECT 1091 1083 CONECT 1092 1041 CONECT 1093 1037 1094 1107 1108 CONECT 1094 1093 1095 1105 1106 CONECT 1095 1094 1096 1103 1104 CONECT 1096 1095 1097 1101 1102 CONECT 1097 1096 1098 1099 1100 CONECT 1098 1097 CONECT 1099 1097 CONECT 1100 1097 CONECT 1101 1096 CONECT 1102 1096 CONECT 1103 1095 CONECT 1104 1095 CONECT 1105 1094 CONECT 1106 1094 CONECT 1107 1093 CONECT 1108 1093 CONECT 1109 1037 CONECT 1110 1036 CONECT 1111 1033 1112 1118 1119 CONECT 1112 1111 1113 1116 1117 CONECT 1113 1032 1112 1114 1115 CONECT 1114 1113 CONECT 1115 1113 CONECT 1116 1112 CONECT 1117 1112 CONECT 1118 1111 CONECT 1119 1111 CONECT 1120 1033 CONECT 1121 1029 1122 1123 1124 CONECT 1122 1121 CONECT 1123 1121 CONECT 1124 1121 CONECT 1125 1029 CONECT 1126 1028 CONECT 1127 1025 1128 1130 1134 CONECT 1128 1127 1129 CONECT 1129 1128 CONECT 1130 1127 1131 1132 1133 CONECT 1131 1130 CONECT 1132 1130 CONECT 1133 1130 CONECT 1134 1127 CONECT 1135 1025 CONECT 1136 1024 CONECT 1137 1021 1138 1144 1145 CONECT 1138 1137 1139 1142 1143 CONECT 1139 1020 1138 1140 1141 CONECT 1140 1139 CONECT 1141 1139 CONECT 1142 1138 CONECT 1143 1138 CONECT 1144 1137 CONECT 1145 1137 CONECT 1146 1021 CONECT 1147 1017 1148 1163 1164 CONECT 1148 1147 1149 1161 1162 CONECT 1149 1148 1150 1159 1160 CONECT 1150 1149 1151 1158 CONECT 1151 1150 1152 1155 CONECT 1152 1151 1153 1154 CONECT 1153 1152 CONECT 1154 1152 CONECT 1155 1151 1156 1157 CONECT 1156 1155 CONECT 1157 1155 CONECT 1158 1150 CONECT 1159 1149 CONECT 1160 1149 CONECT 1161 1148 CONECT 1162 1148 CONECT 1163 1147 CONECT 1164 1147 CONECT 1165 1017 CONECT 1166 1016 CONECT 1167 1013 1168 1174 1175 CONECT 1168 1167 1169 1172 1173 CONECT 1169 1012 1168 1170 1171 CONECT 1170 1169 CONECT 1171 1169 CONECT 1172 1168 CONECT 1173 1168 CONECT 1174 1167 CONECT 1175 1167 CONECT 1176 1013 CONECT 1177 1009 1178 1184 1185 CONECT 1178 1177 1179 1182 1183 CONECT 1179 1008 1178 1180 1181 CONECT 1180 1179 CONECT 1181 1179 CONECT 1182 1178 CONECT 1183 1178 CONECT 1184 1177 CONECT 1185 1177 CONECT 1186 1009 CONECT 1187 1005 1188 1194 1195 CONECT 1188 1187 1189 1192 1193 CONECT 1189 1004 1188 1190 1191 CONECT 1190 1189 CONECT 1191 1189 CONECT 1192 1188 CONECT 1193 1188 CONECT 1194 1187 CONECT 1195 1187 CONECT 1196 1005 CONECT 1197 1004 CONECT 1198 1004 MASTER 0 0 0 0 0 0 0 0 1197 1 199 5 END
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3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
2w10
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Mona/GadsSH3C
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=170nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Structure Vol. 17: pp. 809-822
Ligand Properties
Formula
C
6
1
H
1
0
5
N
1
6
O
1
3
Molecular Weight
1270.590
Exact Mass
1269.800
No. of atoms
195
No. of bonds
200
Polar Surface Area
423.71
LOGP Value
1.28 (
Computed with XLOGP3
)
-1.18 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 43
No. of Nitrogen and Oxygen Atoms: 29
No. of Rings: 6
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C=O)CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H]1[NH2+]CCC1)CCC[NH+]=C(N)N)C
InChI String
InChI=1S/C61H102N16O13/c1-35(2)32-39(34-78)68-50(80)43(33-36(3)4)71-53(83)45-20-12-28-74(45)58(88)41(16-7-8-24-62)69-51(81)44-19-11-27-73(44)56(86)37(5)67-55(85)49(38(6)79)72-54(84)47-22-13-29-75(47)59(89)42(18-10-26-66-61(63)64)70-52(82)46-21-14-30-76(46)60(90)48-23-15-31-77(48)57(87)40-17-9-25-65-40/h34-49,65,79H,7-33,62H2,1-6H3,(H,67,85)(H,68,80)(H,69,81)(H,70,82)(H,71,83)(H,72,84)(H4,63,64,66)/p+3/t37-,38+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/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):
O89100
Q6PB44
Entrez Gene ID
NCBI Entrez Gene ID:
17444
104831
ASD
Information of known allosteric effects of PDB entries
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