Browse entries in the PDBbind-CN Database
HEADER 2RKN_COMPLEX COMPND 2RKN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 77 ALA ILE ASP LEU CYS GLY MET SER GLN ASP GLU LEU ASN SEQRES 2 A 77 GLU CYS LYS PRO ALA VAL SER LYS GLU ASN PRO THR SER SEQRES 3 A 77 PRO SER GLN PRO CYS CYS THR ALA LEU GLN HIS ALA ASP SEQRES 4 A 77 PHE ALA CYS LEU CYS GLY TYR LYS ASN SER PRO TRP LEU SEQRES 5 A 77 GLY SER PHE GLY VAL ASP PRO GLU LEU ALA SER ALA LEU SEQRES 6 A 77 PRO LYS GLN CYS GLY LEU ALA ASN ALA PRO THR CYS HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET LP A 3 74 SSBOND 1 CYS A 15 CYS A 31 SSBOND 2 CYS A 5 CYS A 42 SSBOND 3 CYS A 32 CYS A 69 SSBOND 4 CYS A 44 CYS A 77 ATOM 1 N ALA A 1 4.954 20.115 10.897 1.00 38.15 N ATOM 2 CA ALA A 1 5.309 19.173 9.790 1.00 36.75 C ATOM 3 C ALA A 1 6.669 19.446 9.161 1.00 35.69 C ATOM 4 O ALA A 1 6.980 20.556 8.779 1.00 36.11 O ATOM 5 CB ALA A 1 4.222 19.148 8.725 1.00 36.95 C ATOM 6 HA ALA A 1 5.382 18.189 10.253 1.00 0.00 H ATOM 7 HB1 ALA A 1 3.283 18.823 9.173 1.00 0.00 H ATOM 8 HB2 ALA A 1 4.100 20.148 8.308 1.00 0.00 H ATOM 9 HB3 ALA A 1 4.507 18.455 7.933 1.00 0.00 H ATOM 10 HN3 ALA A 1 4.935 21.088 10.530 1.00 0.00 H ATOM 11 HN2 ALA A 1 5.664 20.043 11.653 1.00 0.00 H ATOM 12 HN1 ALA A 1 4.017 19.867 11.275 1.00 0.00 H ATOM 13 N ILE A 2 7.479 18.397 9.043 1.00 32.16 N ATOM 14 CA ILE A 2 8.807 18.549 8.562 1.00 30.13 C ATOM 15 C ILE A 2 9.066 17.613 7.388 1.00 26.80 C ATOM 16 O ILE A 2 8.252 16.697 7.109 1.00 26.85 O ATOM 17 CB ILE A 2 9.814 18.202 9.656 1.00 29.61 C ATOM 18 CG1 ILE A 2 9.775 16.695 9.929 1.00 30.02 C ATOM 19 CG2 ILE A 2 9.552 19.099 10.890 1.00 32.94 C ATOM 20 CD1 ILE A 2 10.940 16.140 10.761 1.00 35.39 C ATOM 21 HA ILE A 2 8.922 19.587 8.251 1.00 0.00 H ATOM 22 HB ILE A 2 10.837 18.414 9.346 1.00 0.00 H ATOM 23 HG12 ILE A 2 8.849 16.474 10.460 1.00 0.00 H ATOM 24 HG13 ILE A 2 9.774 16.180 8.968 1.00 0.00 H ATOM 25 HD11 ILE A 2 11.879 16.334 10.243 1.00 0.00 H ATOM 26 HD12 ILE A 2 10.954 16.628 11.736 1.00 0.00 H ATOM 27 HD13 ILE A 2 10.811 15.066 10.893 1.00 0.00 H ATOM 28 HG21 ILE A 2 9.664 20.146 10.607 1.00 0.00 H ATOM 29 HG22 ILE A 2 8.540 18.926 11.255 1.00 0.00 H ATOM 30 HG23 ILE A 2 10.269 18.855 11.674 1.00 0.00 H ATOM 31 H ILE A 2 7.135 17.452 9.307 1.00 0.00 H ATOM 32 N ASP A 3 10.161 17.863 6.708 1.00 25.29 N ATOM 33 CA ASP A 3 10.674 16.909 5.675 1.00 27.29 C ATOM 34 C ASP A 3 12.087 16.579 6.053 1.00 29.46 C ATOM 35 O ASP A 3 12.969 17.449 5.992 1.00 26.75 O ATOM 36 CB ASP A 3 10.687 17.559 4.283 1.00 28.29 C ATOM 37 CG ASP A 3 11.080 16.545 3.174 1.00 30.80 C ATOM 38 OD1 ASP A 3 12.246 16.156 3.057 1.00 31.79 O ATOM 39 OD2 ASP A 3 10.187 16.146 2.393 1.00 40.62 O ATOM 40 HA ASP A 3 10.035 16.026 5.637 1.00 0.00 H ATOM 41 HB2 ASP A 3 9.693 17.950 4.067 1.00 0.00 H ATOM 42 HB3 ASP A 3 11.406 18.378 4.283 1.00 0.00 H ATOM 43 H ASP A 3 10.683 18.743 6.891 1.00 0.00 H ATOM 44 N LEU A 4 12.356 15.336 6.425 1.00 34.54 N ATOM 45 CA LEU A 4 13.709 15.032 6.712 1.00 34.60 C ATOM 46 C LEU A 4 14.121 13.953 5.741 1.00 33.88 C ATOM 47 O LEU A 4 13.653 12.835 5.756 1.00 34.65 O ATOM 48 CB LEU A 4 13.884 14.649 8.153 1.00 35.15 C ATOM 49 CG LEU A 4 15.258 14.347 8.751 1.00 35.49 C ATOM 50 CD1 LEU A 4 16.342 15.176 8.244 1.00 38.49 C ATOM 51 CD2 LEU A 4 15.163 14.637 10.143 1.00 28.74 C ATOM 52 HA LEU A 4 14.358 15.898 6.582 1.00 0.00 H ATOM 53 HB2 LEU A 4 13.470 15.469 8.739 1.00 0.00 H ATOM 54 HB3 LEU A 4 13.281 13.754 8.306 1.00 0.00 H ATOM 55 HG LEU A 4 15.493 13.313 8.498 1.00 0.00 H ATOM 56 HD21 LEU A 4 14.900 15.686 10.277 1.00 0.00 H ATOM 57 HD22 LEU A 4 14.394 14.008 10.592 1.00 0.00 H ATOM 58 HD23 LEU A 4 16.122 14.437 10.621 1.00 0.00 H ATOM 59 HD11 LEU A 4 16.431 15.037 7.167 1.00 0.00 H ATOM 60 HD12 LEU A 4 16.129 16.223 8.460 1.00 0.00 H ATOM 61 HD13 LEU A 4 17.275 14.887 8.727 1.00 0.00 H ATOM 62 H LEU A 4 11.608 14.617 6.503 1.00 0.00 H ATOM 63 N CYS A 5 14.967 14.412 4.838 1.00 33.14 N ATOM 64 CA CYS A 5 15.494 13.570 3.778 1.00 32.86 C ATOM 65 C CYS A 5 14.328 12.907 2.988 1.00 32.86 C ATOM 66 O CYS A 5 14.421 11.755 2.610 1.00 34.21 O ATOM 67 CB CYS A 5 16.416 12.463 4.373 1.00 31.87 C ATOM 68 SG CYS A 5 17.775 13.209 5.305 1.00 34.24 S ATOM 69 HA CYS A 5 16.077 14.194 3.101 1.00 0.00 H ATOM 70 HB2 CYS A 5 16.825 11.861 3.562 1.00 0.00 H ATOM 71 HB3 CYS A 5 15.831 11.827 5.037 1.00 0.00 H ATOM 72 H CYS A 5 15.266 15.407 4.887 1.00 0.00 H ATOM 73 N GLY A 6 13.253 13.646 2.787 1.00 33.48 N ATOM 74 CA GLY A 6 12.144 13.084 1.986 1.00 35.82 C ATOM 75 C GLY A 6 11.086 12.388 2.774 1.00 37.09 C ATOM 76 O GLY A 6 10.180 11.791 2.174 1.00 41.06 O ATOM 77 HA3 GLY A 6 12.565 12.369 1.280 1.00 0.00 H ATOM 78 HA2 GLY A 6 11.675 13.901 1.438 1.00 0.00 H ATOM 79 H GLY A 6 13.187 14.605 3.184 1.00 0.00 H ATOM 80 N MET A 7 11.269 12.296 4.120 1.00 35.19 N ATOM 81 CA MET A 7 10.284 11.576 4.921 1.00 35.62 C ATOM 82 C MET A 7 9.595 12.518 5.885 1.00 34.76 C ATOM 83 O MET A 7 10.216 13.424 6.472 1.00 36.14 O ATOM 84 CB MET A 7 10.939 10.436 5.683 1.00 36.83 C ATOM 85 CG MET A 7 11.715 9.476 4.767 1.00 35.55 C ATOM 86 SD MET A 7 12.428 8.125 5.729 1.00 39.73 S ATOM 87 CE MET A 7 10.887 7.464 6.434 1.00 36.48 C ATOM 88 HA MET A 7 9.538 11.157 4.245 1.00 0.00 H ATOM 89 HB2 MET A 7 11.631 10.857 6.413 1.00 0.00 H ATOM 90 HB3 MET A 7 10.163 9.872 6.202 1.00 0.00 H ATOM 91 HG2 MET A 7 12.515 10.023 4.268 1.00 0.00 H ATOM 92 HG3 MET A 7 11.036 9.066 4.019 1.00 0.00 H ATOM 93 HE1 MET A 7 10.399 8.238 7.026 1.00 0.00 H ATOM 94 HE2 MET A 7 10.225 7.150 5.627 1.00 0.00 H ATOM 95 HE3 MET A 7 11.117 6.609 7.070 1.00 0.00 H ATOM 96 H MET A 7 12.098 12.732 4.571 1.00 0.00 H ATOM 97 N SER A 8 8.287 12.370 6.012 1.00 34.56 N ATOM 98 CA SER A 8 7.568 13.190 6.988 1.00 34.75 C ATOM 99 C SER A 8 7.738 12.574 8.368 1.00 35.54 C ATOM 100 O SER A 8 8.221 11.451 8.521 1.00 35.66 O ATOM 101 CB SER A 8 6.124 13.219 6.604 1.00 36.38 C ATOM 102 OG SER A 8 5.647 11.890 6.831 1.00 35.68 O ATOM 103 HA SER A 8 7.959 14.207 7.006 1.00 0.00 H ATOM 104 HB2 SER A 8 6.013 13.491 5.554 1.00 0.00 H ATOM 105 HB3 SER A 8 5.578 13.932 7.222 1.00 0.00 H ATOM 106 HG SER A 8 4.687 11.840 6.594 1.00 0.00 H ATOM 107 H SER A 8 7.776 11.680 5.426 1.00 0.00 H ATOM 108 N GLN A 9 7.331 13.313 9.403 1.00 36.92 N ATOM 109 CA GLN A 9 7.382 12.759 10.760 1.00 36.75 C ATOM 110 C GLN A 9 6.569 11.494 10.855 1.00 36.64 C ATOM 111 O GLN A 9 7.009 10.501 11.469 1.00 37.07 O ATOM 112 CB GLN A 9 6.876 13.766 11.804 1.00 37.36 C ATOM 113 CG GLN A 9 7.751 14.952 11.935 1.00 38.93 C ATOM 114 CD GLN A 9 7.133 16.011 12.832 1.00 41.59 C ATOM 115 OE1 GLN A 9 7.122 15.856 14.047 1.00 43.04 O ATOM 116 NE2 GLN A 9 6.601 17.074 12.237 1.00 38.20 N ATOM 117 HA GLN A 9 8.428 12.535 10.971 1.00 0.00 H ATOM 118 HB2 GLN A 9 5.880 14.099 11.511 1.00 0.00 H ATOM 119 HB3 GLN A 9 6.821 13.266 12.771 1.00 0.00 H ATOM 120 HG2 GLN A 9 8.705 14.642 12.360 1.00 0.00 H ATOM 121 HG3 GLN A 9 7.917 15.380 10.946 1.00 0.00 H ATOM 122 HE22 GLN A 9 6.635 17.161 11.201 1.00 0.00 H ATOM 123 HE21 GLN A 9 6.151 17.818 12.807 1.00 0.00 H ATOM 124 H GLN A 9 6.979 14.279 9.247 1.00 0.00 H ATOM 125 N ASP A 10 5.402 11.480 10.203 1.00 36.99 N ATOM 126 CA ASP A 10 4.509 10.288 10.204 1.00 36.40 C ATOM 127 C ASP A 10 5.211 9.083 9.602 1.00 36.60 C ATOM 128 O ASP A 10 5.041 7.948 10.056 1.00 34.93 O ATOM 129 CB ASP A 10 3.256 10.528 9.348 1.00 38.27 C ATOM 130 CG ASP A 10 2.571 9.212 8.914 1.00 39.80 C ATOM 131 OD1 ASP A 10 2.078 8.476 9.791 1.00 42.18 O ATOM 132 OD2 ASP A 10 2.560 8.874 7.702 1.00 44.16 O ATOM 133 HA ASP A 10 4.240 10.110 11.245 1.00 0.00 H ATOM 134 HB2 ASP A 10 2.545 11.117 9.927 1.00 0.00 H ATOM 135 HB3 ASP A 10 3.544 11.083 8.455 1.00 0.00 H ATOM 136 H ASP A 10 5.108 12.329 9.678 1.00 0.00 H ATOM 137 N GLU A 11 5.985 9.343 8.557 1.00 35.76 N ATOM 138 CA GLU A 11 6.676 8.239 7.871 1.00 33.70 C ATOM 139 C GLU A 11 7.886 7.736 8.666 1.00 34.98 C ATOM 140 O GLU A 11 8.156 6.519 8.742 1.00 34.70 O ATOM 141 CB GLU A 11 7.152 8.669 6.472 1.00 34.72 C ATOM 142 CG GLU A 11 5.905 8.791 5.490 1.00 32.55 C ATOM 143 CD GLU A 11 6.158 9.504 4.214 1.00 35.26 C ATOM 144 OE1 GLU A 11 7.107 10.254 4.094 1.00 34.23 O ATOM 145 OE2 GLU A 11 5.361 9.289 3.308 1.00 35.93 O ATOM 146 HA GLU A 11 5.950 7.430 7.784 1.00 0.00 H ATOM 147 HB2 GLU A 11 7.654 9.634 6.541 1.00 0.00 H ATOM 148 HB3 GLU A 11 7.848 7.926 6.082 1.00 0.00 H ATOM 149 HG2 GLU A 11 5.568 7.783 5.249 1.00 0.00 H ATOM 150 HG3 GLU A 11 5.113 9.321 6.019 1.00 0.00 H ATOM 151 H GLU A 11 6.103 10.321 8.224 1.00 0.00 H ATOM 152 N LEU A 12 8.608 8.669 9.278 1.00 34.66 N ATOM 153 CA LEU A 12 9.702 8.194 10.161 1.00 34.92 C ATOM 154 C LEU A 12 9.108 7.351 11.276 1.00 35.56 C ATOM 155 O LEU A 12 9.651 6.291 11.616 1.00 36.48 O ATOM 156 CB LEU A 12 10.375 9.439 10.770 1.00 37.00 C ATOM 157 CG LEU A 12 11.216 10.216 9.722 1.00 33.35 C ATOM 158 CD1 LEU A 12 11.691 11.539 10.434 1.00 41.02 C ATOM 159 CD2 LEU A 12 12.361 9.475 9.228 1.00 35.49 C ATOM 160 HA LEU A 12 10.423 7.596 9.604 1.00 0.00 H ATOM 161 HB2 LEU A 12 9.603 10.100 11.162 1.00 0.00 H ATOM 162 HB3 LEU A 12 11.029 9.124 11.583 1.00 0.00 H ATOM 163 HG LEU A 12 10.602 10.408 8.842 1.00 0.00 H ATOM 164 HD21 LEU A 12 13.022 9.233 10.060 1.00 0.00 H ATOM 165 HD22 LEU A 12 12.020 8.555 8.754 1.00 0.00 H ATOM 166 HD23 LEU A 12 12.899 10.083 8.500 1.00 0.00 H ATOM 167 HD11 LEU A 12 10.820 12.116 10.745 1.00 0.00 H ATOM 168 HD12 LEU A 12 12.290 11.285 11.308 1.00 0.00 H ATOM 169 HD13 LEU A 12 12.290 12.128 9.740 1.00 0.00 H ATOM 170 H LEU A 12 8.416 9.682 9.145 1.00 0.00 H ATOM 171 N ASN A 13 8.011 7.808 11.903 1.00 34.27 N ATOM 172 CA ASN A 13 7.346 6.972 12.985 1.00 35.47 C ATOM 173 C ASN A 13 6.864 5.613 12.446 1.00 36.28 C ATOM 174 O ASN A 13 6.928 4.557 13.159 1.00 36.09 O ATOM 175 CB ASN A 13 6.179 7.761 13.535 1.00 35.26 C ATOM 176 CG ASN A 13 6.573 8.557 14.690 1.00 44.22 C ATOM 177 OD1 ASN A 13 7.280 8.045 15.588 1.00 47.21 O ATOM 178 ND2 ASN A 13 6.015 9.767 14.790 1.00 46.01 N ATOM 179 HA ASN A 13 8.073 6.760 13.769 1.00 0.00 H ATOM 180 HB2 ASN A 13 5.802 8.426 12.758 1.00 0.00 H ATOM 181 HB3 ASN A 13 5.391 7.069 13.833 1.00 0.00 H ATOM 182 HD22 ASN A 13 5.437 10.139 14.010 1.00 0.00 H ATOM 183 HD21 ASN A 13 6.159 10.337 15.648 1.00 0.00 H ATOM 184 H ASN A 13 7.616 8.736 11.648 1.00 0.00 H ATOM 185 N GLU A 14 6.385 5.600 11.191 1.00 34.63 N ATOM 186 CA GLU A 14 5.984 4.316 10.572 1.00 35.15 C ATOM 187 C GLU A 14 7.161 3.327 10.493 1.00 35.96 C ATOM 188 O GLU A 14 7.029 2.060 10.697 1.00 35.76 O ATOM 189 CB GLU A 14 5.458 4.571 9.159 1.00 35.22 C ATOM 190 CG GLU A 14 4.709 3.396 8.564 1.00 35.40 C ATOM 191 CD GLU A 14 3.512 2.900 9.403 1.00 33.71 C ATOM 192 OE1 GLU A 14 2.784 3.714 10.076 1.00 34.67 O ATOM 193 OE2 GLU A 14 3.287 1.672 9.368 1.00 36.82 O ATOM 194 HA GLU A 14 5.207 3.876 11.198 1.00 0.00 H ATOM 195 HB2 GLU A 14 4.784 5.427 9.192 1.00 0.00 H ATOM 196 HB3 GLU A 14 6.305 4.802 8.513 1.00 0.00 H ATOM 197 HG2 GLU A 14 4.337 3.692 7.583 1.00 0.00 H ATOM 198 HG3 GLU A 14 5.410 2.569 8.450 1.00 0.00 H ATOM 199 H GLU A 14 6.296 6.488 10.657 1.00 0.00 H ATOM 200 N CYS A 15 8.326 3.881 10.154 1.00 34.58 N ATOM 201 CA CYS A 15 9.531 3.066 10.072 1.00 34.74 C ATOM 202 C CYS A 15 10.259 2.751 11.393 1.00 34.52 C ATOM 203 O CYS A 15 11.004 1.747 11.462 1.00 34.70 O ATOM 204 CB CYS A 15 10.558 3.669 9.109 1.00 35.25 C ATOM 205 SG CYS A 15 10.018 3.663 7.335 1.00 35.55 S ATOM 206 HA CYS A 15 9.131 2.118 9.711 1.00 0.00 H ATOM 207 HB2 CYS A 15 11.482 3.096 9.189 1.00 0.00 H ATOM 208 HB3 CYS A 15 10.745 4.700 9.408 1.00 0.00 H ATOM 209 H CYS A 15 8.374 4.899 9.947 1.00 0.00 H ATOM 210 N LYS A 16 10.022 3.595 12.404 1.00 34.98 N ATOM 211 CA LYS A 16 10.653 3.458 13.708 1.00 34.79 C ATOM 212 C LYS A 16 10.720 2.018 14.286 1.00 34.38 C ATOM 213 O LYS A 16 11.755 1.586 14.872 1.00 33.76 O ATOM 214 CB LYS A 16 9.965 4.466 14.680 1.00 36.15 C ATOM 215 CG LYS A 16 10.663 4.585 16.025 1.00 34.81 C ATOM 216 CD LYS A 16 10.014 5.644 16.898 1.00 35.71 C ATOM 217 CE LYS A 16 10.231 5.357 18.386 1.00 37.87 C ATOM 218 NZ LYS A 16 9.163 6.024 19.159 1.00 42.05 N ATOM 219 HA LYS A 16 11.709 3.695 13.582 1.00 0.00 H ATOM 220 HB2 LYS A 16 9.955 5.449 14.208 1.00 0.00 H ATOM 221 HB3 LYS A 16 8.940 4.136 14.851 1.00 0.00 H ATOM 222 HG2 LYS A 16 10.612 3.624 16.537 1.00 0.00 H ATOM 223 HG3 LYS A 16 11.707 4.853 15.860 1.00 0.00 H ATOM 224 HD2 LYS A 16 10.447 6.615 16.658 1.00 0.00 H ATOM 225 HD3 LYS A 16 8.944 5.664 16.694 1.00 0.00 H ATOM 226 HE2 LYS A 16 11.203 5.741 18.696 1.00 0.00 H ATOM 227 HE3 LYS A 16 10.194 4.282 18.561 1.00 0.00 H ATOM 228 HZ1 LYS A 16 9.201 7.049 18.988 1.00 0.00 H ATOM 229 HZ2 LYS A 16 8.238 5.655 18.859 1.00 0.00 H ATOM 230 HZ3 LYS A 16 9.301 5.835 20.172 1.00 0.00 H ATOM 231 H LYS A 16 9.359 4.382 12.251 1.00 0.00 H ATOM 232 N PRO A 17 9.594 1.301 14.261 1.00 33.45 N ATOM 233 CA PRO A 17 9.640 -0.062 14.855 1.00 33.17 C ATOM 234 C PRO A 17 10.526 -1.036 14.082 1.00 33.57 C ATOM 235 O PRO A 17 11.042 -1.966 14.694 1.00 34.56 O ATOM 236 CB PRO A 17 8.180 -0.497 14.894 1.00 35.24 C ATOM 237 CG PRO A 17 7.418 0.464 14.129 1.00 36.79 C ATOM 238 CD PRO A 17 8.211 1.728 13.935 1.00 33.20 C ATOM 239 HA PRO A 17 10.099 -0.054 15.844 1.00 0.00 H ATOM 240 HD3 PRO A 17 8.141 2.082 12.906 1.00 0.00 H ATOM 241 HD2 PRO A 17 7.872 2.512 14.612 1.00 0.00 H ATOM 242 HG3 PRO A 17 6.496 0.697 14.661 1.00 0.00 H ATOM 243 HG2 PRO A 17 7.177 0.038 13.155 1.00 0.00 H ATOM 244 HB2 PRO A 17 8.075 -1.489 14.455 1.00 0.00 H ATOM 245 HB3 PRO A 17 7.825 -0.518 15.924 1.00 0.00 H ATOM 246 N ALA A 18 10.771 -0.758 12.810 1.00 33.60 N ATOM 247 CA ALA A 18 11.645 -1.637 12.002 1.00 34.36 C ATOM 248 C ALA A 18 13.121 -1.288 12.167 1.00 34.59 C ATOM 249 O ALA A 18 13.973 -2.114 11.721 1.00 36.18 O ATOM 250 CB ALA A 18 11.223 -1.514 10.514 1.00 33.37 C ATOM 251 HA ALA A 18 11.526 -2.663 12.349 1.00 0.00 H ATOM 252 HB1 ALA A 18 10.183 -1.821 10.406 1.00 0.00 H ATOM 253 HB2 ALA A 18 11.333 -0.479 10.191 1.00 0.00 H ATOM 254 HB3 ALA A 18 11.858 -2.156 9.903 1.00 0.00 H ATOM 255 H ALA A 18 10.345 0.086 12.376 1.00 0.00 H ATOM 256 N VAL A 19 13.447 -0.226 12.919 1.00 34.92 N ATOM 257 CA VAL A 19 14.843 0.082 13.158 1.00 34.14 C ATOM 258 C VAL A 19 15.187 0.153 14.645 1.00 33.86 C ATOM 259 O VAL A 19 16.269 0.659 14.991 1.00 35.26 O ATOM 260 CB VAL A 19 15.273 1.364 12.382 1.00 33.67 C ATOM 261 CG1 VAL A 19 15.058 1.124 10.887 1.00 36.20 C ATOM 262 CG2 VAL A 19 14.486 2.630 12.864 1.00 36.61 C ATOM 263 HA VAL A 19 15.428 -0.749 12.765 1.00 0.00 H ATOM 264 HB VAL A 19 16.327 1.560 12.579 1.00 0.00 H ATOM 265 HG11 VAL A 19 15.662 0.275 10.566 1.00 0.00 H ATOM 266 HG12 VAL A 19 14.005 0.913 10.702 1.00 0.00 H ATOM 267 HG13 VAL A 19 15.355 2.013 10.331 1.00 0.00 H ATOM 268 HG21 VAL A 19 13.419 2.475 12.704 1.00 0.00 H ATOM 269 HG22 VAL A 19 14.676 2.792 13.925 1.00 0.00 H ATOM 270 HG23 VAL A 19 14.817 3.500 12.297 1.00 0.00 H ATOM 271 H VAL A 19 12.702 0.373 13.328 1.00 0.00 H ATOM 272 N SER A 20 14.262 -0.301 15.494 1.00 28.55 N ATOM 273 CA SER A 20 14.446 -0.130 16.921 1.00 26.07 C ATOM 274 C SER A 20 15.480 -1.133 17.408 1.00 25.67 C ATOM 275 O SER A 20 15.455 -2.283 16.958 1.00 23.78 O ATOM 276 CB SER A 20 13.164 -0.323 17.654 1.00 27.44 C ATOM 277 OG SER A 20 12.243 0.778 17.464 1.00 29.64 O ATOM 278 HA SER A 20 14.791 0.886 17.114 1.00 0.00 H ATOM 279 HB2 SER A 20 13.381 -0.418 18.718 1.00 0.00 H ATOM 280 HB3 SER A 20 12.692 -1.239 17.298 1.00 0.00 H ATOM 281 HG SER A 20 12.658 1.615 17.792 1.00 0.00 H ATOM 282 H SER A 20 13.411 -0.777 15.132 1.00 0.00 H ATOM 283 N LYS A 21 16.355 -0.691 18.322 1.00 23.30 N ATOM 284 CA LYS A 21 17.333 -1.554 18.939 1.00 23.35 C ATOM 285 C LYS A 21 16.615 -2.688 19.640 1.00 22.31 C ATOM 286 O LYS A 21 17.004 -3.851 19.496 1.00 23.39 O ATOM 287 CB LYS A 21 18.133 -0.766 19.967 1.00 22.77 C ATOM 288 CG LYS A 21 19.173 0.119 19.330 1.00 27.48 C ATOM 289 CD LYS A 21 20.455 0.068 20.151 1.00 29.34 C ATOM 290 CE LYS A 21 21.616 0.655 19.372 1.00 34.46 C ATOM 291 NZ LYS A 21 21.547 2.130 19.461 1.00 33.93 N ATOM 292 HA LYS A 21 18.005 -1.948 18.177 1.00 0.00 H ATOM 293 HB2 LYS A 21 17.448 -0.143 20.542 1.00 0.00 H ATOM 294 HB3 LYS A 21 18.632 -1.468 20.635 1.00 0.00 H ATOM 295 HG2 LYS A 21 19.376 -0.229 18.317 1.00 0.00 H ATOM 296 HG3 LYS A 21 18.805 1.144 19.294 1.00 0.00 H ATOM 297 HD2 LYS A 21 20.315 0.639 21.069 1.00 0.00 H ATOM 298 HD3 LYS A 21 20.679 -0.969 20.400 1.00 0.00 H ATOM 299 HE2 LYS A 21 21.552 0.346 18.329 1.00 0.00 H ATOM 300 HE3 LYS A 21 22.557 0.305 19.796 1.00 0.00 H ATOM 301 HZ1 LYS A 21 20.647 2.459 19.057 1.00 0.00 H ATOM 302 HZ2 LYS A 21 21.607 2.419 20.458 1.00 0.00 H ATOM 303 HZ3 LYS A 21 22.339 2.546 18.930 1.00 0.00 H ATOM 304 H LYS A 21 16.328 0.312 18.597 1.00 0.00 H ATOM 305 N GLU A 22 15.582 -2.325 20.373 1.00 21.71 N ATOM 306 CA GLU A 22 14.874 -3.287 21.236 1.00 21.61 C ATOM 307 C GLU A 22 13.644 -3.770 20.488 1.00 22.54 C ATOM 308 O GLU A 22 12.807 -2.973 20.037 1.00 22.53 O ATOM 309 CB GLU A 22 14.546 -2.710 22.652 1.00 21.95 C ATOM 310 CG GLU A 22 13.664 -3.624 23.503 1.00 21.85 C ATOM 311 CD GLU A 22 13.586 -3.291 25.002 1.00 25.77 C ATOM 312 OE1 GLU A 22 13.511 -2.102 25.337 1.00 26.34 O ATOM 313 OE2 GLU A 22 13.551 -4.240 25.845 1.00 31.17 O ATOM 314 HA GLU A 22 15.525 -4.136 21.444 1.00 0.00 H ATOM 315 HB2 GLU A 22 15.484 -2.547 23.182 1.00 0.00 H ATOM 316 HB3 GLU A 22 14.032 -1.758 22.524 1.00 0.00 H ATOM 317 HG2 GLU A 22 12.652 -3.580 23.099 1.00 0.00 H ATOM 318 HG3 GLU A 22 14.048 -4.640 23.408 1.00 0.00 H ATOM 319 H GLU A 22 15.259 -1.337 20.342 1.00 0.00 H ATOM 320 N ASN A 23 13.548 -5.108 20.351 1.00 20.60 N ATOM 321 CA ASN A 23 12.353 -5.719 19.795 1.00 19.85 C ATOM 322 C ASN A 23 11.896 -5.069 18.447 1.00 18.60 C ATOM 323 O ASN A 23 10.710 -4.728 18.307 1.00 19.90 O ATOM 324 CB ASN A 23 11.162 -5.773 20.741 1.00 19.80 C ATOM 325 CG ASN A 23 11.532 -6.372 22.125 1.00 20.03 C ATOM 326 OD1 ASN A 23 12.476 -7.130 22.229 1.00 21.88 O ATOM 327 ND2 ASN A 23 10.773 -5.984 23.144 1.00 26.84 N ATOM 328 HA ASN A 23 12.676 -6.744 19.612 1.00 0.00 H ATOM 329 HB2 ASN A 23 10.784 -4.761 20.887 1.00 0.00 H ATOM 330 HB3 ASN A 23 10.384 -6.388 20.290 1.00 0.00 H ATOM 331 HD22 ASN A 23 9.979 -5.332 22.982 1.00 0.00 H ATOM 332 HD21 ASN A 23 10.973 -6.333 24.103 1.00 0.00 H ATOM 333 H ASN A 23 14.341 -5.712 20.648 1.00 0.00 H ATOM 334 N PRO A 24 12.817 -5.061 17.486 1.00 20.48 N ATOM 335 CA PRO A 24 12.408 -4.551 16.159 1.00 20.70 C ATOM 336 C PRO A 24 11.414 -5.460 15.527 1.00 22.05 C ATOM 337 O PRO A 24 11.284 -6.632 15.960 1.00 21.99 O ATOM 338 CB PRO A 24 13.714 -4.553 15.384 1.00 20.29 C ATOM 339 CG PRO A 24 14.523 -5.712 16.029 1.00 21.40 C ATOM 340 CD PRO A 24 14.225 -5.494 17.476 1.00 20.46 C ATOM 341 HA PRO A 24 11.929 -3.573 16.198 1.00 0.00 H ATOM 342 HD3 PRO A 24 14.351 -6.417 18.042 1.00 0.00 H ATOM 343 HD2 PRO A 24 14.872 -4.722 17.894 1.00 0.00 H ATOM 344 HG3 PRO A 24 15.589 -5.621 15.821 1.00 0.00 H ATOM 345 HG2 PRO A 24 14.170 -6.685 15.689 1.00 0.00 H ATOM 346 HB2 PRO A 24 13.538 -4.744 14.325 1.00 0.00 H ATOM 347 HB3 PRO A 24 14.236 -3.603 15.499 1.00 0.00 H ATOM 348 N THR A 25 10.660 -4.972 14.538 1.00 21.59 N ATOM 349 CA THR A 25 9.699 -5.810 13.809 1.00 21.74 C ATOM 350 C THR A 25 9.896 -5.610 12.309 1.00 22.08 C ATOM 351 O THR A 25 10.588 -4.688 11.890 1.00 20.03 O ATOM 352 CB THR A 25 8.292 -5.448 14.125 1.00 22.88 C ATOM 353 OG1 THR A 25 8.122 -4.006 14.069 1.00 25.42 O ATOM 354 CG2 THR A 25 7.866 -5.918 15.563 1.00 23.58 C ATOM 355 HA THR A 25 9.877 -6.843 14.108 1.00 0.00 H ATOM 356 HB THR A 25 7.669 -5.950 13.384 1.00 0.00 H ATOM 357 HG1 THR A 25 7.182 -3.777 14.281 1.00 0.00 H ATOM 358 HG23 THR A 25 7.982 -6.999 15.640 1.00 0.00 H ATOM 359 HG21 THR A 25 8.498 -5.430 16.305 1.00 0.00 H ATOM 360 HG22 THR A 25 6.824 -5.650 15.738 1.00 0.00 H ATOM 361 H THR A 25 10.756 -3.970 14.277 1.00 0.00 H ATOM 362 N SER A 26 9.271 -6.494 11.526 1.00 21.95 N ATOM 363 CA SER A 26 9.416 -6.467 10.077 1.00 22.41 C ATOM 364 C SER A 26 8.805 -5.136 9.580 1.00 21.99 C ATOM 365 O SER A 26 7.868 -4.631 10.194 1.00 20.63 O ATOM 366 CB SER A 26 8.685 -7.686 9.503 1.00 22.36 C ATOM 367 OG SER A 26 8.940 -7.814 8.125 1.00 25.73 O ATOM 368 HA SER A 26 10.457 -6.517 9.757 1.00 0.00 H ATOM 369 HB2 SER A 26 7.613 -7.567 9.660 1.00 0.00 H ATOM 370 HB3 SER A 26 9.029 -8.584 10.016 1.00 0.00 H ATOM 371 HG SER A 26 8.626 -7.001 7.656 1.00 0.00 H ATOM 372 H SER A 26 8.666 -7.219 11.962 1.00 0.00 H ATOM 373 N PRO A 27 9.418 -4.517 8.552 1.00 20.79 N ATOM 374 CA PRO A 27 8.883 -3.203 8.122 1.00 22.78 C ATOM 375 C PRO A 27 7.491 -3.261 7.546 1.00 24.88 C ATOM 376 O PRO A 27 7.134 -4.190 6.810 1.00 25.06 O ATOM 377 CB PRO A 27 9.887 -2.721 7.095 1.00 23.28 C ATOM 378 CG PRO A 27 10.598 -3.954 6.595 1.00 22.54 C ATOM 379 CD PRO A 27 10.614 -4.925 7.805 1.00 24.74 C ATOM 380 HA PRO A 27 8.772 -2.532 8.974 1.00 0.00 H ATOM 381 HD3 PRO A 27 10.541 -5.963 7.479 1.00 0.00 H ATOM 382 HD2 PRO A 27 11.516 -4.796 8.403 1.00 0.00 H ATOM 383 HG3 PRO A 27 11.614 -3.711 6.284 1.00 0.00 H ATOM 384 HG2 PRO A 27 10.058 -4.395 5.757 1.00 0.00 H ATOM 385 HB2 PRO A 27 9.377 -2.219 6.273 1.00 0.00 H ATOM 386 HB3 PRO A 27 10.598 -2.034 7.554 1.00 0.00 H ATOM 387 N SER A 28 6.693 -2.246 7.884 1.00 31.96 N ATOM 388 CA SER A 28 5.351 -2.186 7.364 1.00 33.90 C ATOM 389 C SER A 28 5.368 -1.749 5.941 1.00 34.93 C ATOM 390 O SER A 28 6.337 -1.053 5.478 1.00 35.27 O ATOM 391 CB SER A 28 4.542 -1.160 8.196 1.00 35.13 C ATOM 392 OG SER A 28 4.908 0.166 7.904 1.00 36.05 O ATOM 393 HA SER A 28 4.896 -3.175 7.426 1.00 0.00 H ATOM 394 HB2 SER A 28 4.719 -1.348 9.255 1.00 0.00 H ATOM 395 HB3 SER A 28 3.482 -1.288 7.978 1.00 0.00 H ATOM 396 HG SER A 28 4.368 0.785 8.456 1.00 0.00 H ATOM 397 H SER A 28 7.039 -1.500 8.521 1.00 0.00 H ATOM 398 N GLN A 29 4.285 -2.085 5.244 1.00 34.85 N ATOM 399 CA GLN A 29 4.084 -1.583 3.872 1.00 35.55 C ATOM 400 C GLN A 29 4.223 -0.065 3.734 1.00 35.61 C ATOM 401 O GLN A 29 4.994 0.407 2.895 1.00 36.27 O ATOM 402 CB GLN A 29 2.747 -2.057 3.297 1.00 35.75 C ATOM 403 CG GLN A 29 2.633 -1.715 1.823 1.00 35.41 C ATOM 404 CD GLN A 29 3.877 -2.120 1.061 1.00 38.67 C ATOM 405 OE1 GLN A 29 4.661 -1.251 0.611 1.00 38.23 O ATOM 406 NE2 GLN A 29 4.077 -3.452 0.903 1.00 37.20 N ATOM 407 HA GLN A 29 4.897 -2.013 3.287 1.00 0.00 H ATOM 408 HB2 GLN A 29 2.670 -3.137 3.419 1.00 0.00 H ATOM 409 HB3 GLN A 29 1.935 -1.573 3.839 1.00 0.00 H ATOM 410 HG2 GLN A 29 1.774 -2.239 1.403 1.00 0.00 H ATOM 411 HG3 GLN A 29 2.488 -0.640 1.719 1.00 0.00 H ATOM 412 HE22 GLN A 29 3.394 -4.131 1.297 1.00 0.00 H ATOM 413 HE21 GLN A 29 4.913 -3.795 0.388 1.00 0.00 H ATOM 414 H GLN A 29 3.572 -2.709 5.672 1.00 0.00 H ATOM 415 N PRO A 30 3.494 0.710 4.550 1.00 35.62 N ATOM 416 CA PRO A 30 3.658 2.187 4.537 1.00 36.59 C ATOM 417 C PRO A 30 5.105 2.688 4.778 1.00 35.53 C ATOM 418 O PRO A 30 5.552 3.634 4.089 1.00 36.98 O ATOM 419 CB PRO A 30 2.700 2.642 5.635 1.00 37.41 C ATOM 420 CG PRO A 30 1.654 1.598 5.650 1.00 38.73 C ATOM 421 CD PRO A 30 2.454 0.321 5.532 1.00 37.24 C ATOM 422 HA PRO A 30 3.440 2.602 3.553 1.00 0.00 H ATOM 423 HD3 PRO A 30 2.895 0.038 6.488 1.00 0.00 H ATOM 424 HD2 PRO A 30 1.841 -0.500 5.159 1.00 0.00 H ATOM 425 HG3 PRO A 30 0.971 1.713 4.808 1.00 0.00 H ATOM 426 HG2 PRO A 30 1.088 1.622 6.581 1.00 0.00 H ATOM 427 HB2 PRO A 30 3.209 2.695 6.597 1.00 0.00 H ATOM 428 HB3 PRO A 30 2.273 3.616 5.398 1.00 0.00 H ATOM 429 N CYS A 31 5.854 1.957 5.631 1.00 34.45 N ATOM 430 CA CYS A 31 7.266 2.298 5.767 1.00 33.98 C ATOM 431 C CYS A 31 8.040 2.084 4.452 1.00 33.50 C ATOM 432 O CYS A 31 8.758 2.986 4.008 1.00 34.41 O ATOM 433 CB CYS A 31 7.894 1.460 6.889 1.00 33.97 C ATOM 434 SG CYS A 31 9.742 1.646 6.979 1.00 35.48 S ATOM 435 HA CYS A 31 7.331 3.357 6.016 1.00 0.00 H ATOM 436 HB2 CYS A 31 7.657 0.410 6.714 1.00 0.00 H ATOM 437 HB3 CYS A 31 7.465 1.774 7.841 1.00 0.00 H ATOM 438 H CYS A 31 5.437 1.175 6.175 1.00 0.00 H ATOM 439 N CYS A 32 7.898 0.895 3.866 1.00 33.36 N ATOM 440 CA CYS A 32 8.661 0.603 2.666 1.00 33.25 C ATOM 441 C CYS A 32 8.261 1.531 1.532 1.00 35.24 C ATOM 442 O CYS A 32 9.120 1.940 0.746 1.00 36.10 O ATOM 443 CB CYS A 32 8.522 -0.863 2.300 1.00 32.51 C ATOM 444 SG CYS A 32 9.281 -2.021 3.453 1.00 35.28 S ATOM 445 HA CYS A 32 9.718 0.788 2.859 1.00 0.00 H ATOM 446 HB2 CYS A 32 8.981 -1.011 1.323 1.00 0.00 H ATOM 447 HB3 CYS A 32 7.459 -1.096 2.240 1.00 0.00 H ATOM 448 H CYS A 32 7.249 0.186 4.263 1.00 0.00 H ATOM 449 N THR A 33 6.985 1.863 1.432 1.00 34.81 N ATOM 450 CA THR A 33 6.554 2.730 0.351 1.00 35.56 C ATOM 451 C THR A 33 7.135 4.152 0.489 1.00 35.04 C ATOM 452 O THR A 33 7.529 4.790 -0.467 1.00 34.61 O ATOM 453 CB THR A 33 5.030 2.785 0.315 1.00 35.44 C ATOM 454 OG1 THR A 33 4.541 1.458 -0.003 1.00 37.25 O ATOM 455 CG2 THR A 33 4.580 3.815 -0.710 1.00 39.11 C ATOM 456 HA THR A 33 6.929 2.314 -0.584 1.00 0.00 H ATOM 457 HB THR A 33 4.624 3.089 1.280 1.00 0.00 H ATOM 458 HG1 THR A 33 4.844 0.821 0.691 1.00 0.00 H ATOM 459 HG23 THR A 33 4.969 4.795 -0.433 1.00 0.00 H ATOM 460 HG21 THR A 33 4.959 3.537 -1.693 1.00 0.00 H ATOM 461 HG22 THR A 33 3.491 3.849 -0.735 1.00 0.00 H ATOM 462 H THR A 33 6.295 1.505 2.123 1.00 0.00 H ATOM 463 N ALA A 34 7.179 4.649 1.735 1.00 35.32 N ATOM 464 CA ALA A 34 7.719 5.975 1.989 1.00 34.94 C ATOM 465 C ALA A 34 9.196 5.996 1.613 1.00 35.17 C ATOM 466 O ALA A 34 9.683 6.958 1.055 1.00 34.84 O ATOM 467 CB ALA A 34 7.567 6.295 3.489 1.00 36.43 C ATOM 468 HA ALA A 34 7.183 6.716 1.396 1.00 0.00 H ATOM 469 HB1 ALA A 34 6.512 6.267 3.760 1.00 0.00 H ATOM 470 HB2 ALA A 34 8.113 5.555 4.074 1.00 0.00 H ATOM 471 HB3 ALA A 34 7.969 7.288 3.690 1.00 0.00 H ATOM 472 H ALA A 34 6.823 4.079 2.528 1.00 0.00 H ATOM 473 N LEU A 35 9.916 4.904 1.932 1.00 34.72 N ATOM 474 CA LEU A 35 11.350 4.886 1.644 1.00 34.98 C ATOM 475 C LEU A 35 11.648 4.972 0.127 1.00 35.26 C ATOM 476 O LEU A 35 12.769 5.370 -0.262 1.00 35.61 O ATOM 477 CB LEU A 35 11.989 3.549 2.159 1.00 35.84 C ATOM 478 CG LEU A 35 12.226 3.610 3.649 1.00 36.51 C ATOM 479 CD1 LEU A 35 12.978 2.269 3.962 1.00 41.38 C ATOM 480 CD2 LEU A 35 13.050 4.770 4.150 1.00 40.55 C ATOM 481 HA LEU A 35 11.772 5.756 2.148 1.00 0.00 H ATOM 482 HB2 LEU A 35 11.315 2.721 1.937 1.00 0.00 H ATOM 483 HB3 LEU A 35 12.940 3.388 1.651 1.00 0.00 H ATOM 484 HG LEU A 35 11.268 3.749 4.151 1.00 0.00 H ATOM 485 HD21 LEU A 35 14.038 4.737 3.691 1.00 0.00 H ATOM 486 HD22 LEU A 35 12.556 5.705 3.887 1.00 0.00 H ATOM 487 HD23 LEU A 35 13.149 4.702 5.233 1.00 0.00 H ATOM 488 HD11 LEU A 35 12.348 1.426 3.678 1.00 0.00 H ATOM 489 HD12 LEU A 35 13.909 2.236 3.396 1.00 0.00 H ATOM 490 HD13 LEU A 35 13.197 2.217 5.028 1.00 0.00 H ATOM 491 H LEU A 35 9.458 4.083 2.378 1.00 0.00 H ATOM 492 N GLN A 36 10.646 4.648 -0.725 1.00 35.10 N ATOM 493 CA GLN A 36 10.798 4.810 -2.178 1.00 36.74 C ATOM 494 C GLN A 36 11.014 6.286 -2.597 1.00 34.83 C ATOM 495 O GLN A 36 11.457 6.530 -3.725 1.00 35.81 O ATOM 496 CB GLN A 36 9.604 4.190 -2.939 1.00 36.93 C ATOM 497 CG GLN A 36 9.460 2.713 -2.625 1.00 35.69 C ATOM 498 CD GLN A 36 8.261 2.033 -3.295 1.00 41.43 C ATOM 499 OE1 GLN A 36 7.681 2.564 -4.225 1.00 49.98 O ATOM 500 NE2 GLN A 36 7.939 0.794 -2.851 1.00 44.51 N ATOM 501 HA GLN A 36 11.702 4.268 -2.455 1.00 0.00 H ATOM 502 HB2 GLN A 36 8.689 4.706 -2.647 1.00 0.00 H ATOM 503 HB3 GLN A 36 9.763 4.312 -4.010 1.00 0.00 H ATOM 504 HG2 GLN A 36 10.367 2.205 -2.954 1.00 0.00 H ATOM 505 HG3 GLN A 36 9.354 2.603 -1.546 1.00 0.00 H ATOM 506 HE22 GLN A 36 8.459 0.376 -2.053 1.00 0.00 H ATOM 507 HE21 GLN A 36 7.172 0.261 -3.308 1.00 0.00 H ATOM 508 H GLN A 36 9.752 4.278 -0.344 1.00 0.00 H ATOM 509 N HIS A 37 10.652 7.262 -1.720 1.00 34.18 N ATOM 510 CA HIS A 37 10.931 8.664 -2.027 1.00 33.46 C ATOM 511 C HIS A 37 11.855 9.313 -0.992 1.00 33.51 C ATOM 512 O HIS A 37 11.915 10.575 -0.873 1.00 34.80 O ATOM 513 CB HIS A 37 9.657 9.494 -2.292 1.00 35.00 C ATOM 514 CG HIS A 37 8.657 9.470 -1.175 1.00 34.69 C ATOM 515 ND1 HIS A 37 7.522 8.681 -1.196 1.00 37.26 N ATOM 516 CD2 HIS A 37 8.605 10.173 -0.018 1.00 39.03 C ATOM 517 CE1 HIS A 37 6.825 8.894 -0.093 1.00 35.91 C ATOM 518 NE2 HIS A 37 7.463 9.788 0.639 1.00 38.83 N ATOM 519 HA HIS A 37 11.477 8.661 -2.971 1.00 0.00 H ATOM 520 HB2 HIS A 37 9.954 10.529 -2.462 1.00 0.00 H ATOM 521 HB3 HIS A 37 9.176 9.103 -3.189 1.00 0.00 H ATOM 522 HD2 HIS A 37 9.334 10.907 0.327 1.00 0.00 H ATOM 523 HE1 HIS A 37 5.883 8.413 0.168 1.00 0.00 H ATOM 524 H HIS A 37 10.176 7.010 -0.830 1.00 0.00 H ATOM 525 N ALA A 38 12.606 8.483 -0.261 1.00 25.45 N ATOM 526 CA ALA A 38 13.580 8.999 0.695 1.00 24.40 C ATOM 527 C ALA A 38 14.954 9.189 0.069 1.00 25.89 C ATOM 528 O ALA A 38 15.298 8.535 -0.929 1.00 26.33 O ATOM 529 CB ALA A 38 13.671 8.088 1.941 1.00 22.72 C ATOM 530 HA ALA A 38 13.227 9.981 1.008 1.00 0.00 H ATOM 531 HB1 ALA A 38 12.696 8.040 2.426 1.00 0.00 H ATOM 532 HB2 ALA A 38 13.976 7.087 1.636 1.00 0.00 H ATOM 533 HB3 ALA A 38 14.404 8.497 2.636 1.00 0.00 H ATOM 534 H ALA A 38 12.494 7.455 -0.375 1.00 0.00 H ATOM 535 N ASP A 39 15.745 10.078 0.664 1.00 31.81 N ATOM 536 CA ASP A 39 17.057 10.375 0.143 1.00 33.27 C ATOM 537 C ASP A 39 18.058 9.661 1.060 1.00 31.79 C ATOM 538 O ASP A 39 18.315 10.162 2.199 1.00 33.22 O ATOM 539 CB ASP A 39 17.187 11.871 0.143 1.00 39.59 C ATOM 540 CG ASP A 39 18.484 12.392 -0.419 1.00 42.99 C ATOM 541 OD1 ASP A 39 19.507 11.606 -0.516 1.00 38.28 O ATOM 542 OD2 ASP A 39 18.401 13.643 -0.588 1.00 39.95 O ATOM 543 HA ASP A 39 17.238 10.030 -0.875 1.00 0.00 H ATOM 544 HB2 ASP A 39 16.370 12.283 -0.450 1.00 0.00 H ATOM 545 HB3 ASP A 39 17.099 12.219 1.172 1.00 0.00 H ATOM 546 H ASP A 39 15.412 10.567 1.519 1.00 0.00 H ATOM 547 N PHE A 40 18.602 8.528 0.585 1.00 32.73 N ATOM 548 CA PHE A 40 19.439 7.733 1.489 1.00 32.56 C ATOM 549 C PHE A 40 20.699 8.392 1.905 1.00 32.48 C ATOM 550 O PHE A 40 21.081 8.235 3.079 1.00 34.77 O ATOM 551 CB PHE A 40 19.767 6.335 0.973 1.00 34.08 C ATOM 552 CG PHE A 40 18.573 5.482 0.697 1.00 35.30 C ATOM 553 CD1 PHE A 40 17.397 5.652 1.396 1.00 37.75 C ATOM 554 CD2 PHE A 40 18.661 4.450 -0.199 1.00 39.04 C ATOM 555 CE1 PHE A 40 16.282 4.835 1.156 1.00 40.79 C ATOM 556 CE2 PHE A 40 17.532 3.612 -0.417 1.00 40.35 C ATOM 557 CZ PHE A 40 16.349 3.852 0.287 1.00 41.35 C ATOM 558 HA PHE A 40 18.796 7.641 2.365 1.00 0.00 H ATOM 559 HB2 PHE A 40 20.334 6.437 0.048 1.00 0.00 H ATOM 560 HB3 PHE A 40 20.381 5.831 1.720 1.00 0.00 H ATOM 561 HD2 PHE A 40 19.590 4.272 -0.741 1.00 0.00 H ATOM 562 HE2 PHE A 40 17.589 2.788 -1.128 1.00 0.00 H ATOM 563 HZ PHE A 40 15.478 3.221 0.114 1.00 0.00 H ATOM 564 HE1 PHE A 40 15.352 5.017 1.695 1.00 0.00 H ATOM 565 HD1 PHE A 40 17.332 6.437 2.150 1.00 0.00 H ATOM 566 H PHE A 40 18.434 8.224 -0.395 1.00 0.00 H ATOM 567 N ALA A 41 21.381 9.063 0.978 1.00 32.96 N ATOM 568 CA ALA A 41 22.613 9.763 1.338 1.00 33.10 C ATOM 569 C ALA A 41 22.325 10.831 2.408 1.00 32.09 C ATOM 570 O ALA A 41 23.154 11.083 3.304 1.00 34.12 O ATOM 571 CB ALA A 41 23.217 10.397 0.101 1.00 33.00 C ATOM 572 HA ALA A 41 23.325 9.049 1.752 1.00 0.00 H ATOM 573 HB1 ALA A 41 23.441 9.621 -0.631 1.00 0.00 H ATOM 574 HB2 ALA A 41 22.508 11.106 -0.325 1.00 0.00 H ATOM 575 HB3 ALA A 41 24.135 10.918 0.373 1.00 0.00 H ATOM 576 H ALA A 41 21.037 9.089 -0.003 1.00 0.00 H ATOM 577 N CYS A 42 21.175 11.479 2.313 1.00 32.59 N ATOM 578 CA CYS A 42 20.774 12.474 3.323 1.00 32.18 C ATOM 579 C CYS A 42 20.610 11.778 4.667 1.00 32.43 C ATOM 580 O CYS A 42 21.166 12.221 5.678 1.00 32.38 O ATOM 581 CB CYS A 42 19.498 13.184 2.790 1.00 33.87 C ATOM 582 SG CYS A 42 18.753 14.380 3.982 1.00 34.79 S ATOM 583 HA CYS A 42 21.525 13.247 3.489 1.00 0.00 H ATOM 584 HB2 CYS A 42 18.754 12.423 2.557 1.00 0.00 H ATOM 585 HB3 CYS A 42 19.760 13.724 1.880 1.00 0.00 H ATOM 586 H CYS A 42 20.543 11.282 1.511 1.00 0.00 H ATOM 587 N LEU A 43 19.930 10.620 4.616 1.00 30.39 N ATOM 588 CA LEU A 43 19.673 9.870 5.864 1.00 32.36 C ATOM 589 C LEU A 43 20.969 9.400 6.523 1.00 33.67 C ATOM 590 O LEU A 43 21.114 9.484 7.776 1.00 33.02 O ATOM 591 CB LEU A 43 18.703 8.687 5.659 1.00 32.02 C ATOM 592 CG LEU A 43 17.240 9.067 5.435 1.00 34.33 C ATOM 593 CD1 LEU A 43 16.381 7.942 4.807 1.00 34.83 C ATOM 594 CD2 LEU A 43 16.561 9.594 6.772 1.00 34.96 C ATOM 595 HA LEU A 43 19.185 10.572 6.540 1.00 0.00 H ATOM 596 HB2 LEU A 43 19.040 8.122 4.790 1.00 0.00 H ATOM 597 HB3 LEU A 43 18.754 8.053 6.544 1.00 0.00 H ATOM 598 HG LEU A 43 17.271 9.875 4.704 1.00 0.00 H ATOM 599 HD21 LEU A 43 16.602 8.813 7.531 1.00 0.00 H ATOM 600 HD22 LEU A 43 17.096 10.475 7.127 1.00 0.00 H ATOM 601 HD23 LEU A 43 15.522 9.854 6.572 1.00 0.00 H ATOM 602 HD11 LEU A 43 16.794 7.671 3.835 1.00 0.00 H ATOM 603 HD12 LEU A 43 16.389 7.071 5.463 1.00 0.00 H ATOM 604 HD13 LEU A 43 15.357 8.295 4.682 1.00 0.00 H ATOM 605 H LEU A 43 19.587 10.254 3.705 1.00 0.00 H ATOM 606 N CYS A 44 21.910 8.928 5.715 1.00 34.28 N ATOM 607 CA CYS A 44 23.242 8.570 6.208 1.00 35.91 C ATOM 608 C CYS A 44 23.943 9.680 6.981 1.00 35.72 C ATOM 609 O CYS A 44 24.763 9.396 7.839 1.00 36.57 O ATOM 610 CB CYS A 44 24.151 8.111 5.057 1.00 38.85 C ATOM 611 SG CYS A 44 23.682 6.456 4.534 1.00 43.51 S ATOM 612 HA CYS A 44 23.070 7.753 6.909 1.00 0.00 H ATOM 613 HB2 CYS A 44 25.187 8.104 5.395 1.00 0.00 H ATOM 614 HB3 CYS A 44 24.048 8.799 4.218 1.00 0.00 H ATOM 615 H CYS A 44 21.696 8.809 4.704 1.00 0.00 H ATOM 616 N GLY A 45 23.638 10.923 6.651 1.00 34.56 N ATOM 617 CA GLY A 45 24.161 12.079 7.376 1.00 35.47 C ATOM 618 C GLY A 45 23.747 12.144 8.803 1.00 35.71 C ATOM 619 O GLY A 45 24.365 12.874 9.591 1.00 37.15 O ATOM 620 HA3 GLY A 45 23.811 12.983 6.877 1.00 0.00 H ATOM 621 HA2 GLY A 45 25.250 12.043 7.337 1.00 0.00 H ATOM 622 H GLY A 45 23.001 11.085 5.845 1.00 0.00 H ATOM 623 N TYR A 46 22.755 11.336 9.201 1.00 34.49 N ATOM 624 CA TYR A 46 22.301 11.344 10.574 1.00 32.58 C ATOM 625 C TYR A 46 22.922 10.193 11.345 1.00 31.54 C ATOM 626 O TYR A 46 22.571 9.981 12.498 1.00 34.20 O ATOM 627 CB TYR A 46 20.755 11.195 10.655 1.00 34.29 C ATOM 628 CG TYR A 46 20.059 12.470 10.238 1.00 34.11 C ATOM 629 CD1 TYR A 46 19.850 12.777 8.907 1.00 34.95 C ATOM 630 CD2 TYR A 46 19.708 13.436 11.219 1.00 35.28 C ATOM 631 CE1 TYR A 46 19.278 14.039 8.519 1.00 35.84 C ATOM 632 CE2 TYR A 46 19.129 14.645 10.862 1.00 38.97 C ATOM 633 CZ TYR A 46 18.909 14.959 9.537 1.00 35.39 C ATOM 634 OH TYR A 46 18.347 16.161 9.117 1.00 35.88 O ATOM 635 HA TYR A 46 22.602 12.298 11.006 1.00 0.00 H ATOM 636 HB3 TYR A 46 20.474 10.956 11.681 1.00 0.00 H ATOM 637 HB2 TYR A 46 20.441 10.386 9.995 1.00 0.00 H ATOM 638 HD2 TYR A 46 19.897 13.223 12.271 1.00 0.00 H ATOM 639 HE2 TYR A 46 18.844 15.356 11.638 1.00 0.00 H ATOM 640 HE1 TYR A 46 19.131 14.284 7.467 1.00 0.00 H ATOM 641 HD1 TYR A 46 20.122 12.052 8.140 1.00 0.00 H ATOM 642 HH TYR A 46 18.916 16.913 9.418 1.00 0.00 H ATOM 643 H TYR A 46 22.307 10.696 8.515 1.00 0.00 H ATOM 644 N LYS A 47 23.824 9.407 10.727 1.00 27.11 N ATOM 645 CA LYS A 47 24.381 8.227 11.385 1.00 27.96 C ATOM 646 C LYS A 47 24.899 8.473 12.798 1.00 29.36 C ATOM 647 O LYS A 47 24.829 7.590 13.649 1.00 30.01 O ATOM 648 CB LYS A 47 25.526 7.642 10.553 1.00 28.15 C ATOM 649 CG LYS A 47 26.317 6.572 11.311 1.00 31.97 C ATOM 650 CD LYS A 47 27.501 6.090 10.531 1.00 35.37 C ATOM 651 CE LYS A 47 28.098 4.878 11.209 1.00 36.20 C ATOM 652 NZ LYS A 47 27.096 3.778 11.234 1.00 37.37 N ATOM 653 HA LYS A 47 23.545 7.532 11.464 1.00 0.00 H ATOM 654 HB2 LYS A 47 25.109 7.195 9.651 1.00 0.00 H ATOM 655 HB3 LYS A 47 26.205 8.449 10.277 1.00 0.00 H ATOM 656 HG2 LYS A 47 26.665 6.993 12.254 1.00 0.00 H ATOM 657 HG3 LYS A 47 25.660 5.726 11.513 1.00 0.00 H ATOM 658 HD2 LYS A 47 27.186 5.823 9.522 1.00 0.00 H ATOM 659 HD3 LYS A 47 28.248 6.882 10.480 1.00 0.00 H ATOM 660 HE2 LYS A 47 28.381 5.135 12.230 1.00 0.00 H ATOM 661 HE3 LYS A 47 28.981 4.553 10.660 1.00 0.00 H ATOM 662 HZ1 LYS A 47 26.254 4.090 11.759 1.00 0.00 H ATOM 663 HZ2 LYS A 47 26.827 3.533 10.260 1.00 0.00 H ATOM 664 HZ3 LYS A 47 27.509 2.945 11.701 1.00 0.00 H ATOM 665 H LYS A 47 24.130 9.645 9.762 1.00 0.00 H ATOM 666 N ASN A 48 25.422 9.658 13.046 1.00 28.64 N ATOM 667 CA ASN A 48 26.014 9.946 14.375 1.00 31.27 C ATOM 668 C ASN A 48 25.169 10.907 15.189 1.00 31.22 C ATOM 669 O ASN A 48 25.635 11.423 16.234 1.00 33.11 O ATOM 670 CB ASN A 48 27.443 10.497 14.219 1.00 33.67 C ATOM 671 CG ASN A 48 28.368 9.487 13.630 1.00 34.12 C ATOM 672 OD1 ASN A 48 28.512 8.387 14.166 1.00 39.02 O ATOM 673 ND2 ASN A 48 28.989 9.829 12.503 1.00 39.71 N ATOM 674 HA ASN A 48 26.047 9.003 14.920 1.00 0.00 H ATOM 675 HB2 ASN A 48 27.415 11.371 13.568 1.00 0.00 H ATOM 676 HB3 ASN A 48 27.818 10.788 15.200 1.00 0.00 H ATOM 677 HD22 ASN A 48 28.835 10.771 12.089 1.00 0.00 H ATOM 678 HD21 ASN A 48 29.629 9.155 12.036 1.00 0.00 H ATOM 679 H ASN A 48 25.419 10.391 12.309 1.00 0.00 H ATOM 680 N SER A 49 23.922 11.141 14.756 1.00 28.50 N ATOM 681 CA SER A 49 23.050 12.070 15.457 1.00 27.83 C ATOM 682 C SER A 49 22.651 11.551 16.823 1.00 29.11 C ATOM 683 O SER A 49 22.348 10.361 16.984 1.00 27.45 O ATOM 684 CB SER A 49 21.764 12.352 14.660 1.00 26.49 C ATOM 685 OG SER A 49 20.774 13.054 15.404 1.00 26.11 O ATOM 686 HA SER A 49 23.625 12.989 15.570 1.00 0.00 H ATOM 687 HB2 SER A 49 21.342 11.400 14.338 1.00 0.00 H ATOM 688 HB3 SER A 49 22.024 12.947 13.785 1.00 0.00 H ATOM 689 HG SER A 49 21.139 13.927 15.695 1.00 0.00 H ATOM 690 H SER A 49 23.573 10.651 13.907 1.00 0.00 H ATOM 691 N PRO A 50 22.692 12.431 17.841 1.00 30.32 N ATOM 692 CA PRO A 50 22.131 12.055 19.117 1.00 30.79 C ATOM 693 C PRO A 50 20.708 11.529 19.085 1.00 30.83 C ATOM 694 O PRO A 50 20.304 10.801 20.050 1.00 33.09 O ATOM 695 CB PRO A 50 22.138 13.415 19.877 1.00 31.80 C ATOM 696 CG PRO A 50 23.279 14.077 19.360 1.00 32.50 C ATOM 697 CD PRO A 50 23.245 13.797 17.868 1.00 30.45 C ATOM 698 HA PRO A 50 22.700 11.233 19.553 1.00 0.00 H ATOM 699 HD3 PRO A 50 22.597 14.500 17.345 1.00 0.00 H ATOM 700 HD2 PRO A 50 24.244 13.832 17.433 1.00 0.00 H ATOM 701 HG3 PRO A 50 24.190 13.678 19.806 1.00 0.00 H ATOM 702 HG2 PRO A 50 23.222 15.148 19.552 1.00 0.00 H ATOM 703 HB2 PRO A 50 21.231 13.982 19.670 1.00 0.00 H ATOM 704 HB3 PRO A 50 22.231 13.260 20.952 1.00 0.00 H ATOM 705 N TRP A 51 19.973 11.872 18.020 1.00 32.39 N ATOM 706 CA TRP A 51 18.614 11.380 17.895 1.00 32.60 C ATOM 707 C TRP A 51 18.552 9.852 17.846 1.00 34.01 C ATOM 708 O TRP A 51 17.576 9.317 18.306 1.00 33.74 O ATOM 709 CB TRP A 51 17.936 11.985 16.683 1.00 34.61 C ATOM 710 CG TRP A 51 17.346 13.308 16.895 1.00 35.09 C ATOM 711 CD1 TRP A 51 16.956 13.880 18.074 1.00 36.16 C ATOM 712 CD2 TRP A 51 16.981 14.214 15.861 1.00 33.01 C ATOM 713 NE1 TRP A 51 16.347 15.101 17.821 1.00 35.68 N ATOM 714 CE2 TRP A 51 16.381 15.335 16.479 1.00 35.75 C ATOM 715 CE3 TRP A 51 17.172 14.224 14.453 1.00 32.26 C ATOM 716 CZ2 TRP A 51 15.922 16.407 15.752 1.00 35.53 C ATOM 717 CZ3 TRP A 51 16.689 15.275 13.742 1.00 34.03 C ATOM 718 CH2 TRP A 51 16.089 16.376 14.402 1.00 34.06 C ATOM 719 HA TRP A 51 18.076 11.692 18.790 1.00 0.00 H ATOM 720 HB2 TRP A 51 18.677 12.069 15.888 1.00 0.00 H ATOM 721 HB3 TRP A 51 17.142 11.308 16.367 1.00 0.00 H ATOM 722 HE1 TRP A 51 15.933 15.732 18.537 1.00 0.00 H ATOM 723 HD1 TRP A 51 17.101 13.443 19.062 1.00 0.00 H ATOM 724 HZ2 TRP A 51 15.440 17.254 16.241 1.00 0.00 H ATOM 725 HH2 TRP A 51 15.750 17.226 13.809 1.00 0.00 H ATOM 726 HZ3 TRP A 51 16.763 15.272 12.655 1.00 0.00 H ATOM 727 HE3 TRP A 51 17.694 13.407 13.955 1.00 0.00 H ATOM 728 H TRP A 51 20.375 12.489 17.285 1.00 0.00 H ATOM 729 N LEU A 52 19.572 9.153 17.339 1.00 33.74 N ATOM 730 CA LEU A 52 19.461 7.696 17.257 1.00 33.90 C ATOM 731 C LEU A 52 19.345 7.192 18.675 1.00 33.98 C ATOM 732 O LEU A 52 18.489 6.348 19.020 1.00 36.06 O ATOM 733 CB LEU A 52 20.666 7.098 16.501 1.00 34.11 C ATOM 734 CG LEU A 52 20.748 7.537 15.031 1.00 33.94 C ATOM 735 CD1 LEU A 52 21.451 6.481 14.187 1.00 36.69 C ATOM 736 CD2 LEU A 52 19.366 7.760 14.453 1.00 36.42 C ATOM 737 HA LEU A 52 18.584 7.388 16.688 1.00 0.00 H ATOM 738 HB2 LEU A 52 21.580 7.411 17.006 1.00 0.00 H ATOM 739 HB3 LEU A 52 20.588 6.011 16.533 1.00 0.00 H ATOM 740 HG LEU A 52 21.313 8.469 15.007 1.00 0.00 H ATOM 741 HD21 LEU A 52 18.796 6.833 14.510 1.00 0.00 H ATOM 742 HD22 LEU A 52 18.856 8.537 15.023 1.00 0.00 H ATOM 743 HD23 LEU A 52 19.455 8.070 13.412 1.00 0.00 H ATOM 744 HD11 LEU A 52 22.462 6.329 14.565 1.00 0.00 H ATOM 745 HD12 LEU A 52 20.896 5.544 14.243 1.00 0.00 H ATOM 746 HD13 LEU A 52 21.496 6.816 13.151 1.00 0.00 H ATOM 747 H LEU A 52 20.431 9.637 17.008 1.00 0.00 H ATOM 748 N GLY A 53 20.191 7.738 19.533 1.00 34.44 N ATOM 749 CA GLY A 53 20.108 7.301 20.914 1.00 35.49 C ATOM 750 C GLY A 53 18.760 7.612 21.569 1.00 37.04 C ATOM 751 O GLY A 53 18.131 6.730 22.243 1.00 37.15 O ATOM 752 HA3 GLY A 53 20.892 7.800 21.483 1.00 0.00 H ATOM 753 HA2 GLY A 53 20.268 6.223 20.946 1.00 0.00 H ATOM 754 H GLY A 53 20.886 8.450 19.231 1.00 0.00 H ATOM 755 N SER A 54 18.312 8.859 21.415 1.00 37.04 N ATOM 756 CA SER A 54 17.030 9.319 21.978 1.00 39.24 C ATOM 757 C SER A 54 15.836 8.476 21.531 1.00 37.61 C ATOM 758 O SER A 54 14.975 8.145 22.368 1.00 38.39 O ATOM 759 CB SER A 54 16.798 10.815 21.649 1.00 40.79 C ATOM 760 OG SER A 54 17.825 11.552 22.261 1.00 47.79 O ATOM 761 HA SER A 54 17.104 9.195 23.058 1.00 0.00 H ATOM 762 HB2 SER A 54 15.830 11.135 22.036 1.00 0.00 H ATOM 763 HB3 SER A 54 16.825 10.966 20.570 1.00 0.00 H ATOM 764 HG SER A 54 17.700 12.515 22.066 1.00 0.00 H ATOM 765 H SER A 54 18.891 9.534 20.876 1.00 0.00 H ATOM 766 N PHE A 55 15.810 8.065 20.258 1.00 36.22 N ATOM 767 CA PHE A 55 14.651 7.361 19.738 1.00 35.34 C ATOM 768 C PHE A 55 14.831 5.851 19.743 1.00 34.59 C ATOM 769 O PHE A 55 13.963 5.165 19.211 1.00 36.53 O ATOM 770 CB PHE A 55 14.233 7.914 18.356 1.00 36.18 C ATOM 771 CG PHE A 55 13.597 9.257 18.430 1.00 40.36 C ATOM 772 CD1 PHE A 55 14.307 10.396 18.039 1.00 39.43 C ATOM 773 CD2 PHE A 55 12.270 9.389 18.856 1.00 41.83 C ATOM 774 CE1 PHE A 55 13.695 11.668 18.117 1.00 40.17 C ATOM 775 CE2 PHE A 55 11.655 10.619 18.928 1.00 47.40 C ATOM 776 CZ PHE A 55 12.375 11.776 18.592 1.00 42.57 C ATOM 777 HA PHE A 55 13.823 7.554 20.420 1.00 0.00 H ATOM 778 HB2 PHE A 55 15.121 7.985 17.728 1.00 0.00 H ATOM 779 HB3 PHE A 55 13.525 7.219 17.904 1.00 0.00 H ATOM 780 HD2 PHE A 55 11.710 8.497 19.137 1.00 0.00 H ATOM 781 HE2 PHE A 55 10.615 10.694 19.244 1.00 0.00 H ATOM 782 HZ PHE A 55 11.912 12.757 18.699 1.00 0.00 H ATOM 783 HE1 PHE A 55 14.242 12.560 17.811 1.00 0.00 H ATOM 784 HD1 PHE A 55 15.330 10.304 17.675 1.00 0.00 H ATOM 785 H PHE A 55 16.624 8.251 19.638 1.00 0.00 H ATOM 786 N GLY A 56 15.978 5.397 20.243 1.00 30.38 N ATOM 787 CA GLY A 56 16.303 3.940 20.313 1.00 28.85 C ATOM 788 C GLY A 56 16.469 3.316 18.945 1.00 29.01 C ATOM 789 O GLY A 56 16.180 2.139 18.741 1.00 27.09 O ATOM 790 HA3 GLY A 56 15.496 3.427 20.836 1.00 0.00 H ATOM 791 HA2 GLY A 56 17.232 3.815 20.869 1.00 0.00 H ATOM 792 H GLY A 56 16.675 6.082 20.599 1.00 0.00 H ATOM 793 N VAL A 57 17.032 4.077 18.019 1.00 25.81 N ATOM 794 CA VAL A 57 17.325 3.543 16.658 1.00 26.44 C ATOM 795 C VAL A 57 18.648 2.807 16.511 1.00 28.43 C ATOM 796 O VAL A 57 19.695 3.318 16.939 1.00 28.57 O ATOM 797 CB VAL A 57 17.343 4.734 15.667 1.00 24.82 C ATOM 798 CG1 VAL A 57 17.592 4.171 14.259 1.00 25.92 C ATOM 799 CG2 VAL A 57 16.029 5.392 15.752 1.00 26.07 C ATOM 800 HA VAL A 57 16.544 2.810 16.457 1.00 0.00 H ATOM 801 HB VAL A 57 18.124 5.458 15.897 1.00 0.00 H ATOM 802 HG11 VAL A 57 18.549 3.650 14.242 1.00 0.00 H ATOM 803 HG12 VAL A 57 16.793 3.476 14.001 1.00 0.00 H ATOM 804 HG13 VAL A 57 17.610 4.990 13.540 1.00 0.00 H ATOM 805 HG21 VAL A 57 15.249 4.680 15.482 1.00 0.00 H ATOM 806 HG22 VAL A 57 15.865 5.743 16.771 1.00 0.00 H ATOM 807 HG23 VAL A 57 16.003 6.239 15.066 1.00 0.00 H ATOM 808 H VAL A 57 17.274 5.063 18.245 1.00 0.00 H ATOM 809 N ASP A 58 18.627 1.615 15.860 1.00 33.54 N ATOM 810 CA ASP A 58 19.818 0.878 15.653 1.00 34.46 C ATOM 811 C ASP A 58 20.426 1.262 14.337 1.00 35.67 C ATOM 812 O ASP A 58 19.779 1.124 13.326 1.00 35.16 O ATOM 813 CB ASP A 58 19.533 -0.619 15.640 1.00 35.25 C ATOM 814 CG ASP A 58 20.767 -1.382 15.553 1.00 34.53 C ATOM 815 OD1 ASP A 58 21.548 -1.251 16.518 1.00 37.91 O ATOM 816 OD2 ASP A 58 21.004 -2.119 14.565 1.00 37.87 O ATOM 817 HA ASP A 58 20.505 1.105 16.469 1.00 0.00 H ATOM 818 HB2 ASP A 58 19.009 -0.891 16.556 1.00 0.00 H ATOM 819 HB3 ASP A 58 18.906 -0.856 14.781 1.00 0.00 H ATOM 820 H ASP A 58 17.723 1.238 15.509 1.00 0.00 H ATOM 821 N PRO A 59 21.645 1.839 14.334 1.00 37.29 N ATOM 822 CA PRO A 59 22.146 2.253 13.008 1.00 38.50 C ATOM 823 C PRO A 59 22.330 1.078 12.001 1.00 38.80 C ATOM 824 O PRO A 59 22.049 1.276 10.810 1.00 40.62 O ATOM 825 CB PRO A 59 23.486 2.960 13.330 1.00 39.89 C ATOM 826 CG PRO A 59 23.862 2.527 14.636 1.00 40.10 C ATOM 827 CD PRO A 59 22.600 2.160 15.402 1.00 39.21 C ATOM 828 HA PRO A 59 21.430 2.896 12.497 1.00 0.00 H ATOM 829 HD3 PRO A 59 22.770 1.298 16.048 1.00 0.00 H ATOM 830 HD2 PRO A 59 22.248 2.999 16.003 1.00 0.00 H ATOM 831 HG3 PRO A 59 24.387 3.330 15.154 1.00 0.00 H ATOM 832 HG2 PRO A 59 24.514 1.657 14.562 1.00 0.00 H ATOM 833 HB2 PRO A 59 24.247 2.676 12.604 1.00 0.00 H ATOM 834 HB3 PRO A 59 23.356 4.042 13.313 1.00 0.00 H ATOM 835 N GLU A 60 22.652 -0.111 12.479 1.00 38.92 N ATOM 836 CA GLU A 60 22.819 -1.268 11.591 1.00 38.81 C ATOM 837 C GLU A 60 21.498 -1.671 10.938 1.00 39.15 C ATOM 838 O GLU A 60 21.431 -1.903 9.721 1.00 38.58 O ATOM 839 CB GLU A 60 23.483 -2.412 12.321 1.00 39.72 C ATOM 840 CG GLU A 60 24.996 -2.269 12.346 1.00 45.19 C ATOM 841 CD GLU A 60 25.656 -3.414 13.093 1.00 51.02 C ATOM 842 OE1 GLU A 60 26.621 -4.028 12.561 1.00 55.43 O ATOM 843 OE2 GLU A 60 25.190 -3.720 14.215 1.00 56.17 O ATOM 844 HA GLU A 60 23.484 -0.981 10.776 1.00 0.00 H ATOM 845 HB2 GLU A 60 23.114 -2.437 13.347 1.00 0.00 H ATOM 846 HB3 GLU A 60 23.226 -3.346 11.821 1.00 0.00 H ATOM 847 HG2 GLU A 60 25.367 -2.255 11.321 1.00 0.00 H ATOM 848 HG3 GLU A 60 25.254 -1.331 12.837 1.00 0.00 H ATOM 849 H GLU A 60 22.790 -0.229 13.503 1.00 0.00 H ATOM 850 N LEU A 61 20.436 -1.772 11.737 1.00 37.15 N ATOM 851 CA LEU A 61 19.123 -2.097 11.177 1.00 36.85 C ATOM 852 C LEU A 61 18.657 -1.023 10.249 1.00 37.55 C ATOM 853 O LEU A 61 17.987 -1.319 9.245 1.00 38.97 O ATOM 854 CB LEU A 61 18.044 -2.263 12.241 1.00 37.41 C ATOM 855 CG LEU A 61 18.033 -3.450 13.183 1.00 32.41 C ATOM 856 CD1 LEU A 61 17.010 -3.057 14.242 1.00 34.06 C ATOM 857 CD2 LEU A 61 17.631 -4.774 12.503 1.00 35.76 C ATOM 858 HA LEU A 61 19.263 -3.043 10.655 1.00 0.00 H ATOM 859 HB2 LEU A 61 18.092 -1.373 12.869 1.00 0.00 H ATOM 860 HB3 LEU A 61 17.091 -2.282 11.712 1.00 0.00 H ATOM 861 HG LEU A 61 19.029 -3.647 13.579 1.00 0.00 H ATOM 862 HD21 LEU A 61 16.628 -4.678 12.088 1.00 0.00 H ATOM 863 HD22 LEU A 61 18.336 -4.999 11.703 1.00 0.00 H ATOM 864 HD23 LEU A 61 17.646 -5.578 13.239 1.00 0.00 H ATOM 865 HD11 LEU A 61 17.333 -2.140 14.734 1.00 0.00 H ATOM 866 HD12 LEU A 61 16.042 -2.895 13.768 1.00 0.00 H ATOM 867 HD13 LEU A 61 16.926 -3.856 14.978 1.00 0.00 H ATOM 868 H LEU A 61 20.540 -1.620 12.760 1.00 0.00 H ATOM 869 N ALA A 62 18.964 0.241 10.574 1.00 37.00 N ATOM 870 CA ALA A 62 18.517 1.346 9.726 1.00 38.44 C ATOM 871 C ALA A 62 19.195 1.185 8.367 1.00 39.48 C ATOM 872 O ALA A 62 18.528 1.257 7.323 1.00 39.20 O ATOM 873 CB ALA A 62 18.855 2.676 10.386 1.00 36.88 C ATOM 874 HA ALA A 62 17.436 1.332 9.589 1.00 0.00 H ATOM 875 HB1 ALA A 62 18.354 2.738 11.352 1.00 0.00 H ATOM 876 HB2 ALA A 62 19.933 2.745 10.529 1.00 0.00 H ATOM 877 HB3 ALA A 62 18.519 3.493 9.748 1.00 0.00 H ATOM 878 H ALA A 62 19.521 0.436 11.430 1.00 0.00 H ATOM 879 N SER A 63 20.510 0.893 8.402 1.00 40.83 N ATOM 880 CA SER A 63 21.302 0.678 7.186 1.00 41.17 C ATOM 881 C SER A 63 20.673 -0.433 6.339 1.00 41.25 C ATOM 882 O SER A 63 20.672 -0.387 5.120 1.00 44.49 O ATOM 883 CB SER A 63 22.742 0.315 7.569 1.00 40.85 C ATOM 884 OG SER A 63 23.506 -0.120 6.458 1.00 41.67 O ATOM 885 HA SER A 63 21.315 1.594 6.595 1.00 0.00 H ATOM 886 HB2 SER A 63 22.716 -0.484 8.310 1.00 0.00 H ATOM 887 HB3 SER A 63 23.221 1.194 8.001 1.00 0.00 H ATOM 888 HG SER A 63 23.084 -0.923 6.063 1.00 0.00 H ATOM 889 H SER A 63 20.981 0.817 9.326 1.00 0.00 H ATOM 890 N ALA A 64 20.125 -1.430 7.005 1.00 39.17 N ATOM 891 CA ALA A 64 19.587 -2.636 6.364 1.00 38.41 C ATOM 892 C ALA A 64 18.164 -2.519 5.820 1.00 37.71 C ATOM 893 O ALA A 64 17.674 -3.421 5.152 1.00 37.65 O ATOM 894 CB ALA A 64 19.609 -3.802 7.378 1.00 38.91 C ATOM 895 HA ALA A 64 20.232 -2.804 5.501 1.00 0.00 H ATOM 896 HB1 ALA A 64 20.635 -3.984 7.699 1.00 0.00 H ATOM 897 HB2 ALA A 64 18.997 -3.542 8.242 1.00 0.00 H ATOM 898 HB3 ALA A 64 19.210 -4.700 6.906 1.00 0.00 H ATOM 899 H ALA A 64 20.071 -1.358 8.041 1.00 0.00 H ATOM 900 N LEU A 65 17.491 -1.420 6.140 1.00 36.34 N ATOM 901 CA LEU A 65 16.055 -1.360 5.898 1.00 36.20 C ATOM 902 C LEU A 65 15.687 -1.307 4.410 1.00 36.03 C ATOM 903 O LEU A 65 14.848 -2.085 3.945 1.00 34.76 O ATOM 904 CB LEU A 65 15.432 -0.228 6.703 1.00 36.24 C ATOM 905 CG LEU A 65 13.913 -0.139 6.619 1.00 34.83 C ATOM 906 CD1 LEU A 65 13.252 -1.424 6.931 1.00 33.63 C ATOM 907 CD2 LEU A 65 13.406 0.935 7.537 1.00 37.19 C ATOM 908 HA LEU A 65 15.627 -2.299 6.249 1.00 0.00 H ATOM 909 HB2 LEU A 65 15.706 -0.366 7.749 1.00 0.00 H ATOM 910 HB3 LEU A 65 15.847 0.713 6.341 1.00 0.00 H ATOM 911 HG LEU A 65 13.664 0.110 5.588 1.00 0.00 H ATOM 912 HD21 LEU A 65 13.695 0.701 8.562 1.00 0.00 H ATOM 913 HD22 LEU A 65 13.837 1.893 7.246 1.00 0.00 H ATOM 914 HD23 LEU A 65 12.320 0.988 7.467 1.00 0.00 H ATOM 915 HD11 LEU A 65 13.584 -2.183 6.223 1.00 0.00 H ATOM 916 HD12 LEU A 65 13.515 -1.730 7.943 1.00 0.00 H ATOM 917 HD13 LEU A 65 12.171 -1.303 6.856 1.00 0.00 H ATOM 918 H LEU A 65 17.985 -0.607 6.561 1.00 0.00 H ATOM 919 N PRO A 66 16.358 -0.434 3.635 1.00 37.04 N ATOM 920 CA PRO A 66 16.045 -0.539 2.190 1.00 37.67 C ATOM 921 C PRO A 66 16.089 -1.927 1.599 1.00 37.86 C ATOM 922 O PRO A 66 15.121 -2.305 0.878 1.00 35.81 O ATOM 923 CB PRO A 66 17.051 0.472 1.532 1.00 36.79 C ATOM 924 CG PRO A 66 17.283 1.490 2.621 1.00 37.85 C ATOM 925 CD PRO A 66 17.381 0.596 3.898 1.00 38.86 C ATOM 926 HA PRO A 66 15.001 -0.296 1.995 1.00 0.00 H ATOM 927 HD3 PRO A 66 18.372 0.153 3.996 1.00 0.00 H ATOM 928 HD2 PRO A 66 17.148 1.165 4.798 1.00 0.00 H ATOM 929 HG3 PRO A 66 16.450 2.190 2.692 1.00 0.00 H ATOM 930 HG2 PRO A 66 18.207 2.043 2.454 1.00 0.00 H ATOM 931 HB2 PRO A 66 17.981 -0.025 1.257 1.00 0.00 H ATOM 932 HB3 PRO A 66 16.615 0.938 0.648 1.00 0.00 H ATOM 933 N LYS A 67 17.150 -2.747 1.846 1.00 37.23 N ATOM 934 CA LYS A 67 17.213 -4.138 1.376 1.00 39.80 C ATOM 935 C LYS A 67 16.033 -4.911 1.913 1.00 36.97 C ATOM 936 O LYS A 67 15.382 -5.595 1.159 1.00 37.00 O ATOM 937 CB LYS A 67 18.562 -4.867 1.734 1.00 39.04 C ATOM 938 CG LYS A 67 18.741 -6.353 1.259 1.00 46.65 C ATOM 939 CD LYS A 67 19.878 -7.073 2.059 1.00 45.67 C ATOM 940 CE LYS A 67 20.118 -8.511 1.642 1.00 51.00 C ATOM 941 NZ LYS A 67 21.261 -8.528 0.640 1.00 49.97 N ATOM 942 HA LYS A 67 17.174 -4.104 0.287 1.00 0.00 H ATOM 943 HB2 LYS A 67 19.372 -4.285 1.295 1.00 0.00 H ATOM 944 HB3 LYS A 67 18.658 -4.859 2.820 1.00 0.00 H ATOM 945 HG2 LYS A 67 17.805 -6.890 1.411 1.00 0.00 H ATOM 946 HG3 LYS A 67 18.994 -6.359 0.199 1.00 0.00 H ATOM 947 HD2 LYS A 67 20.804 -6.516 1.914 1.00 0.00 H ATOM 948 HD3 LYS A 67 19.611 -7.063 3.116 1.00 0.00 H ATOM 949 HE2 LYS A 67 19.217 -8.918 1.182 1.00 0.00 H ATOM 950 HE3 LYS A 67 20.382 -9.110 2.514 1.00 0.00 H ATOM 951 HZ1 LYS A 67 21.004 -7.953 -0.187 1.00 0.00 H ATOM 952 HZ2 LYS A 67 22.116 -8.136 1.084 1.00 0.00 H ATOM 953 HZ3 LYS A 67 21.443 -9.507 0.340 1.00 0.00 H ATOM 954 H LYS A 67 17.951 -2.371 2.392 1.00 0.00 H ATOM 955 N GLN A 68 15.683 -4.705 3.193 1.00 36.58 N ATOM 956 CA GLN A 68 14.511 -5.438 3.763 1.00 37.28 C ATOM 957 C GLN A 68 13.242 -5.122 3.013 1.00 37.13 C ATOM 958 O GLN A 68 12.386 -5.972 2.844 1.00 39.28 O ATOM 959 CB GLN A 68 14.264 -5.104 5.238 1.00 37.94 C ATOM 960 CG GLN A 68 15.037 -5.928 6.191 1.00 39.72 C ATOM 961 CD GLN A 68 14.276 -6.021 7.526 1.00 40.45 C ATOM 962 OE1 GLN A 68 14.424 -5.182 8.408 1.00 40.22 O ATOM 963 NE2 GLN A 68 13.388 -7.025 7.616 1.00 37.51 N ATOM 964 HA GLN A 68 14.763 -6.494 3.667 1.00 0.00 H ATOM 965 HB2 GLN A 68 14.528 -4.059 5.399 1.00 0.00 H ATOM 966 HB3 GLN A 68 13.204 -5.246 5.447 1.00 0.00 H ATOM 967 HG2 GLN A 68 15.173 -6.928 5.780 1.00 0.00 H ATOM 968 HG3 GLN A 68 16.012 -5.470 6.360 1.00 0.00 H ATOM 969 HE22 GLN A 68 13.300 -7.712 6.840 1.00 0.00 H ATOM 970 HE21 GLN A 68 12.789 -7.115 8.461 1.00 0.00 H ATOM 971 H GLN A 68 16.223 -4.041 3.783 1.00 0.00 H ATOM 972 N CYS A 69 13.160 -3.912 2.503 1.00 37.21 N ATOM 973 CA CYS A 69 12.003 -3.441 1.775 1.00 37.77 C ATOM 974 C CYS A 69 12.039 -3.813 0.300 1.00 40.58 C ATOM 975 O CYS A 69 11.106 -3.489 -0.430 1.00 42.96 O ATOM 976 CB CYS A 69 11.865 -1.928 1.969 1.00 37.67 C ATOM 977 SG CYS A 69 11.200 -1.372 3.582 1.00 35.58 S ATOM 978 HA CYS A 69 11.124 -3.941 2.181 1.00 0.00 H ATOM 979 HB2 CYS A 69 11.202 -1.552 1.189 1.00 0.00 H ATOM 980 HB3 CYS A 69 12.854 -1.486 1.847 1.00 0.00 H ATOM 981 H CYS A 69 13.964 -3.265 2.629 1.00 0.00 H ATOM 982 N GLY A 70 13.099 -4.490 -0.127 1.00 40.07 N ATOM 983 CA GLY A 70 13.157 -4.940 -1.515 1.00 41.35 C ATOM 984 C GLY A 70 13.519 -3.818 -2.470 1.00 41.94 C ATOM 985 O GLY A 70 13.321 -3.933 -3.692 1.00 42.69 O ATOM 986 HA3 GLY A 70 12.182 -5.338 -1.796 1.00 0.00 H ATOM 987 HA2 GLY A 70 13.907 -5.727 -1.598 1.00 0.00 H ATOM 988 H GLY A 70 13.883 -4.698 0.524 1.00 0.00 H ATOM 989 N LEU A 71 14.067 -2.731 -1.935 1.00 41.84 N ATOM 990 CA LEU A 71 14.523 -1.666 -2.772 1.00 42.88 C ATOM 991 C LEU A 71 15.802 -2.172 -3.429 1.00 44.84 C ATOM 992 O LEU A 71 16.435 -3.108 -2.904 1.00 44.56 O ATOM 993 CB LEU A 71 14.690 -0.363 -1.971 1.00 42.40 C ATOM 994 CG LEU A 71 13.301 0.065 -1.449 1.00 40.46 C ATOM 995 CD1 LEU A 71 13.311 1.280 -0.486 1.00 38.05 C ATOM 996 CD2 LEU A 71 12.380 0.358 -2.618 1.00 43.21 C ATOM 997 HA LEU A 71 13.802 -1.402 -3.546 1.00 0.00 H ATOM 998 HB2 LEU A 71 15.365 -0.530 -1.131 1.00 0.00 H ATOM 999 HB3 LEU A 71 15.099 0.416 -2.615 1.00 0.00 H ATOM 1000 HG LEU A 71 12.941 -0.779 -0.861 1.00 0.00 H ATOM 1001 HD21 LEU A 71 12.803 1.163 -3.219 1.00 0.00 H ATOM 1002 HD22 LEU A 71 12.275 -0.538 -3.230 1.00 0.00 H ATOM 1003 HD23 LEU A 71 11.402 0.659 -2.242 1.00 0.00 H ATOM 1004 HD11 LEU A 71 13.916 1.043 0.389 1.00 0.00 H ATOM 1005 HD12 LEU A 71 13.734 2.144 -0.998 1.00 0.00 H ATOM 1006 HD13 LEU A 71 12.291 1.504 -0.175 1.00 0.00 H ATOM 1007 H LEU A 71 14.164 -2.655 -0.902 1.00 0.00 H ATOM 1008 N ALA A 72 16.154 -1.586 -4.581 1.00 47.27 N ATOM 1009 CA ALA A 72 17.329 -2.027 -5.372 1.00 48.85 C ATOM 1010 C ALA A 72 18.545 -1.264 -4.912 1.00 49.48 C ATOM 1011 O ALA A 72 19.668 -1.777 -4.941 1.00 49.85 O ATOM 1012 CB ALA A 72 17.107 -1.831 -6.878 1.00 49.07 C ATOM 1013 HA ALA A 72 17.478 -3.094 -5.208 1.00 0.00 H ATOM 1014 HB1 ALA A 72 16.242 -2.413 -7.195 1.00 0.00 H ATOM 1015 HB2 ALA A 72 16.931 -0.775 -7.084 1.00 0.00 H ATOM 1016 HB3 ALA A 72 17.991 -2.166 -7.421 1.00 0.00 H ATOM 1017 H ALA A 72 15.582 -0.792 -4.934 1.00 0.00 H ATOM 1018 N ASN A 73 18.303 -0.029 -4.468 1.00 50.33 N ATOM 1019 CA ASN A 73 19.409 0.698 -3.877 1.00 50.16 C ATOM 1020 C ASN A 73 19.445 0.640 -2.371 1.00 50.78 C ATOM 1021 O ASN A 73 18.444 0.329 -1.701 1.00 51.13 O ATOM 1022 CB ASN A 73 19.584 2.096 -4.451 1.00 50.04 C ATOM 1023 CG ASN A 73 20.031 2.052 -5.893 1.00 48.91 C ATOM 1024 OD1 ASN A 73 19.297 1.564 -6.757 1.00 48.20 O ATOM 1025 ND2 ASN A 73 21.237 2.541 -6.166 1.00 48.46 N ATOM 1026 HA ASN A 73 20.303 0.155 -4.184 1.00 0.00 H ATOM 1027 HB2 ASN A 73 18.633 2.625 -4.391 1.00 0.00 H ATOM 1028 HB3 ASN A 73 20.332 2.629 -3.864 1.00 0.00 H ATOM 1029 HD22 ASN A 73 21.820 2.943 -5.404 1.00 0.00 H ATOM 1030 HD21 ASN A 73 21.597 2.522 -7.141 1.00 0.00 H ATOM 1031 H ASN A 73 17.357 0.396 -4.543 1.00 0.00 H ATOM 1032 N ALA A 74 20.646 0.825 -1.857 1.00 50.32 N ATOM 1033 CA ALA A 74 20.887 0.582 -0.465 1.00 50.73 C ATOM 1034 C ALA A 74 21.828 1.646 0.046 1.00 50.02 C ATOM 1035 O ALA A 74 22.653 2.172 -0.716 1.00 50.60 O ATOM 1036 CB ALA A 74 21.465 -0.808 -0.286 1.00 50.76 C ATOM 1037 HA ALA A 74 19.959 0.629 0.106 1.00 0.00 H ATOM 1038 HB1 ALA A 74 20.759 -1.546 -0.667 1.00 0.00 H ATOM 1039 HB2 ALA A 74 22.403 -0.884 -0.836 1.00 0.00 H ATOM 1040 HB3 ALA A 74 21.647 -0.991 0.773 1.00 0.00 H ATOM 1041 H ALA A 74 21.424 1.150 -2.466 1.00 0.00 H ATOM 1042 N PRO A 75 21.708 1.984 1.340 1.00 49.82 N ATOM 1043 CA PRO A 75 22.416 3.119 1.939 1.00 49.74 C ATOM 1044 C PRO A 75 23.897 2.870 2.240 1.00 49.63 C ATOM 1045 O PRO A 75 24.239 2.037 3.101 1.00 51.03 O ATOM 1046 CB PRO A 75 21.677 3.327 3.249 1.00 49.32 C ATOM 1047 CG PRO A 75 21.236 2.008 3.627 1.00 50.38 C ATOM 1048 CD PRO A 75 20.880 1.287 2.332 1.00 48.94 C ATOM 1049 HA PRO A 75 22.419 3.965 1.251 1.00 0.00 H ATOM 1050 HD3 PRO A 75 21.137 0.229 2.387 1.00 0.00 H ATOM 1051 HD2 PRO A 75 19.819 1.390 2.102 1.00 0.00 H ATOM 1052 HG3 PRO A 75 20.362 2.073 4.275 1.00 0.00 H ATOM 1053 HG2 PRO A 75 22.034 1.478 4.147 1.00 0.00 H ATOM 1054 HB2 PRO A 75 22.343 3.743 4.006 1.00 0.00 H ATOM 1055 HB3 PRO A 75 20.826 3.993 3.110 1.00 0.00 H ATOM 1056 N THR A 76 24.746 3.646 1.578 1.00 48.24 N ATOM 1057 CA THR A 76 26.197 3.490 1.639 1.00 48.32 C ATOM 1058 C THR A 76 26.804 3.752 3.055 1.00 47.88 C ATOM 1059 O THR A 76 27.980 4.099 3.191 1.00 48.10 O ATOM 1060 CB THR A 76 26.852 4.458 0.644 1.00 47.71 C ATOM 1061 OG1 THR A 76 26.936 5.764 1.234 1.00 47.64 O ATOM 1062 CG2 THR A 76 26.035 4.540 -0.668 1.00 48.37 C ATOM 1063 HA THR A 76 26.402 2.449 1.390 1.00 0.00 H ATOM 1064 HB THR A 76 27.850 4.088 0.408 1.00 0.00 H ATOM 1065 HG1 THR A 76 27.358 6.388 0.592 1.00 0.00 H ATOM 1066 HG23 THR A 76 25.971 3.549 -1.117 1.00 0.00 H ATOM 1067 HG21 THR A 76 25.032 4.906 -0.448 1.00 0.00 H ATOM 1068 HG22 THR A 76 26.529 5.222 -1.360 1.00 0.00 H ATOM 1069 H THR A 76 24.357 4.406 0.984 1.00 0.00 H ATOM 1070 N CYS A 77 26.002 3.606 4.096 1.00 47.45 N ATOM 1071 CA CYS A 77 26.508 3.853 5.430 1.00 46.85 C ATOM 1072 C CYS A 77 26.203 2.687 6.341 1.00 47.12 C ATOM 1073 O CYS A 77 25.343 1.862 6.006 1.00 47.10 O ATOM 1074 CB CYS A 77 25.960 5.170 5.996 1.00 47.09 C ATOM 1075 SG CYS A 77 24.192 5.260 6.155 1.00 43.57 S ATOM 1076 HA CYS A 77 27.592 3.953 5.370 1.00 0.00 H ATOM 1077 OXT CYS A 77 26.819 2.558 7.402 1.00 46.62 O ATOM 1078 HB2 CYS A 77 26.279 5.977 5.337 1.00 0.00 H ATOM 1079 HB3 CYS A 77 26.394 5.317 6.985 1.00 0.00 H ATOM 1080 H CYS A 77 25.013 3.315 3.957 1.00 0.00 H TER 1081 CYS A 77 HETATM 1082 ZN ZN A 1 5.741 21.895 10.461 1.00 33.07 ZN HETATM 1083 ZN ZN A 2 5.389 9.186 1.294 1.00 21.14 ZN HETATM 1084 ZN ZN A 3 6.545 10.997 2.210 1.00 22.27 ZN HETATM 1085 O HOH 4 7.473 -2.626 11.721 1.00 25.17 O HETATM 1086 O HOH 5 7.791 -0.480 9.959 1.00 21.90 O HETATM 1087 O HOH 6 21.306 15.540 14.714 1.00 24.39 O HETATM 1088 O HOH 7 18.288 7.762 -2.111 1.00 29.04 O HETATM 1089 O HOH 8 6.186 12.674 2.875 1.00 15.14 O HETATM 1090 O HOH 9 5.549 -3.221 14.811 1.00 38.08 O HETATM 1091 O HOH 10 14.574 6.175 -2.343 1.00 34.00 O HETATM 1092 O HOH 11 2.236 -3.716 6.329 1.00 35.60 O HETATM 1093 O HOH 12 6.591 -6.830 7.060 1.00 32.36 O HETATM 1094 O HOH 13 22.093 14.826 6.115 1.00 30.27 O HETATM 1095 O HOH 14 1.105 1.218 9.804 1.00 43.03 O HETATM 1096 O HOH 15 25.748 12.103 11.723 1.00 33.92 O HETATM 1097 O HOH 16 4.512 -5.794 13.492 1.00 44.35 O HETATM 1098 O HOH 17 22.733 15.672 10.052 1.00 37.72 O HETATM 1099 O HOH 18 14.889 0.586 20.828 1.00 27.75 O HETATM 1100 O HOH 19 12.514 2.895 19.032 1.00 34.07 O HETATM 1101 O HOH 20 13.242 -4.578 10.966 1.00 29.83 O HETATM 1102 O HOH 21 21.475 4.157 18.913 1.00 37.20 O HETATM 1103 O HOH 22 6.147 15.937 9.162 1.00 32.44 O HETATM 1104 O HOH 23 18.583 14.070 21.211 1.00 40.61 O HETATM 1105 O HOH 24 22.882 8.508 19.275 1.00 39.60 O HETATM 1106 O HOH 25 6.072 3.945 15.544 1.00 43.92 O HETATM 1107 O HOH 26 22.768 6.698 -1.350 1.00 37.04 O HETATM 1108 O HOH 27 9.668 -2.484 17.253 1.00 32.58 O HETATM 1109 O HOH 28 14.199 8.246 -3.935 1.00 37.48 O HETATM 1110 O HOH 29 4.062 13.828 9.451 1.00 40.26 O HETATM 1111 O HOH 30 3.947 5.451 3.046 1.00 37.79 O HETATM 1112 O HOH 31 2.709 7.031 12.142 1.00 44.77 O HETATM 1113 O HOH 32 26.251 7.761 -0.033 1.00 39.14 O HETATM 1114 O HOH 33 19.979 -3.636 -2.252 1.00 44.11 O HETATM 1115 O HOH 34 20.976 8.916 -1.827 1.00 35.17 O HETATM 1116 O HOH 35 23.331 -3.268 8.373 1.00 43.87 O HETATM 1117 O HOH 36 24.219 -1.206 15.024 1.00 39.54 O HETATM 1118 O HOH 37 6.488 16.443 5.228 1.00 36.97 O HETATM 1119 O HOH 38 15.529 -2.711 9.264 1.00 39.78 O HETATM 1120 O HOH 39 19.788 -1.525 2.682 1.00 33.11 O HETATM 1121 O HOH 40 8.685 -4.160 22.534 1.00 45.60 O HETATM 1122 O HOH 41 21.039 10.662 22.580 1.00 44.40 O HETATM 1123 O HOH 42 2.952 11.495 6.132 1.00 35.79 O HETATM 1124 O HOH 43 29.285 5.790 14.467 1.00 49.55 O HETATM 1125 O HOH 44 12.576 4.955 -5.626 1.00 41.48 O HETATM 1126 O HOH 45 12.741 -1.451 27.822 1.00 44.70 O HETATM 1127 O HOH 46 8.012 8.561 18.152 1.00 49.98 O HETATM 1128 O HOH 47 9.641 -0.348 18.817 1.00 39.92 O HETATM 1129 O HOH 48 22.338 4.218 -2.293 1.00 41.76 O HETATM 1130 O HOH 49 3.530 10.002 13.667 1.00 44.88 O HETATM 1131 O HOH 50 4.471 2.752 14.058 1.00 42.84 O HETATM 1132 O HOH 51 1.900 13.289 7.464 1.00 45.22 O HETATM 1133 O HOH 52 10.986 -1.650 24.593 1.00 62.12 O HETATM 1134 O HOH 53 10.952 -1.211 20.953 1.00 40.02 O HETATM 1135 O HOH 54 8.673 1.799 17.922 1.00 41.29 O HETATM 1136 O HOH 55 4.930 -1.738 12.197 1.00 28.33 O HETATM 1137 O HOH 56 12.188 10.048 -5.168 1.00 43.39 O HETATM 1138 O HOH 57 22.783 15.219 12.308 1.00 40.06 O HETATM 1139 O HOH 58 21.912 16.878 4.503 1.00 38.52 O HETATM 1140 O HOH 59 14.332 3.949 23.120 1.00 57.68 O HETATM 1141 O HOH 60 5.844 1.865 17.143 1.00 50.68 O HETATM 1142 O HOH 61 3.983 16.023 5.897 1.00 41.16 O HETATM 1143 O HOH 62 3.396 -3.569 11.196 1.00 41.68 O HETATM 1144 O HOH 63 5.064 -0.707 17.165 1.00 49.33 O HETATM 1145 O HOH 64 2.916 14.925 3.813 1.00 46.36 O HETATM 1146 O HOH 65 15.717 14.995 0.631 1.00 40.28 O HETATM 1147 O HOH 66 14.531 17.110 2.824 1.00 41.24 O HETATM 1148 O HOH 67 10.352 8.733 -5.732 1.00 36.66 O HETATM 1149 O HOH 68 0.122 13.316 11.674 1.00 48.81 O HETATM 1150 O HOH 69 4.763 0.941 11.874 1.00 33.20 O HETATM 1151 O HOH 70 6.362 -4.587 4.016 1.00 43.07 O HETATM 1152 O HOH 71 6.461 6.152 -2.339 1.00 36.83 O HETATM 1153 O HOH 72 5.740 -6.477 11.215 1.00 42.07 O HETATM 1154 O HOH 73 2.703 9.519 3.673 1.00 44.31 O HETATM 1155 O HOH 74 2.206 6.879 6.252 1.00 36.40 O HETATM 1156 O HOH 75 12.092 -8.493 5.995 1.00 45.53 O HETATM 1157 O HOH 76 18.464 -6.167 4.909 1.00 35.00 O HETATM 1158 O HOH 77 7.995 14.933 3.669 1.00 49.82 O HETATM 1159 O HOH 78 4.023 7.254 -1.232 1.00 36.86 O HETATM 1160 O HOH 79 1.508 11.960 3.350 1.00 55.00 O HETATM 1161 O HOH 80 17.213 -8.227 4.847 1.00 46.86 O HETATM 1162 O HOH 81 13.637 12.402 -1.683 1.00 38.73 O HETATM 1163 O HOH 82 28.994 5.765 5.459 1.00 50.51 O HETATM 1164 O HOH 83 26.839 -4.561 15.926 1.00 48.69 O HETATM 1165 O HOH 84 2.978 4.943 13.526 1.00 49.29 O HETATM 1166 O HOH 85 18.082 -1.903 -1.773 1.00 50.18 O HETATM 1167 O HOH 86 16.286 0.907 22.941 1.00 43.90 O HETATM 1168 O HOH 87 -0.155 14.412 7.362 1.00 52.25 O HETATM 1169 O HOH 88 20.387 3.588 21.720 1.00 46.35 O HETATM 1170 O HOH 89 1.425 10.962 22.417 1.00 55.40 O HETATM 1171 O HOH 90 20.838 16.894 8.246 1.00 37.09 O HETATM 1172 O HOH 91 4.573 7.272 1.149 1.00 28.63 O HETATM 1173 O HOH 92 19.038 -3.181 22.793 1.00 50.56 O HETATM 1174 O HOH 93 0.351 13.579 15.349 1.00 61.51 O HETATM 1175 O HOH 94 9.552 -6.144 3.341 1.00 45.81 O HETATM 1176 O HOH 95 24.528 -0.589 1.788 1.00 46.78 O HETATM 1177 O HOH 96 27.709 -3.425 10.280 1.00 49.81 O HETATM 1178 O HOH 97 23.793 -1.165 18.012 1.00 46.39 O HETATM 1179 O HOH 98 4.180 -5.734 3.709 1.00 48.75 O HETATM 1180 O HOH 99 30.360 4.217 1.832 1.00 44.44 O HETATM 1181 O HOH 100 25.824 5.717 15.246 1.00 56.03 O HETATM 1182 O HOH 101 5.102 -7.538 1.441 1.00 54.69 O HETATM 1183 O HOH 102 9.347 -1.150 -1.414 1.00 45.18 O HETATM 1184 O HOH 103 25.889 11.145 4.061 1.00 53.50 O HETATM 1185 O HOH 104 23.237 16.742 8.060 1.00 61.85 O HETATM 1186 O HOH 105 25.914 11.899 20.501 1.00 61.48 O HETATM 1187 O HOH 106 9.533 -7.202 -0.781 1.00 62.00 O HETATM 1188 O HOH 107 2.581 -4.510 8.867 1.00 46.62 O HETATM 1189 O HOH 108 15.970 5.221 -4.028 1.00 59.83 O HETATM 1190 O HOH 109 27.903 7.645 17.214 1.00 51.89 O HETATM 1191 O HOH 110 23.810 -2.765 5.656 1.00 57.87 O HETATM 1192 O HOH 111 23.369 -2.837 2.954 1.00 48.45 O HETATM 1193 O HOH 112 26.555 14.493 20.357 1.00 61.94 O HETATM 1194 O HOH 113 27.803 9.287 5.138 1.00 47.00 O HETATM 1195 O HOH 114 23.876 18.816 6.260 1.00 55.63 O HETATM 1196 O HOH 115 14.529 6.075 -7.607 1.00 60.75 O HETATM 1197 O HOH 116 29.913 7.747 4.137 1.00 39.47 O HETATM 1198 O HOH 117 19.377 5.605 -3.374 1.00 53.76 O HETATM 1199 O HOH 118 27.333 2.111 12.960 1.00 56.35 O HETATM 1200 O HOH 119 23.550 6.141 0.903 1.00 42.34 O HETATM 1201 O HOH 120 28.072 5.936 -0.930 1.00 25.25 O HETATM 1202 O HOH 121 22.617 0.632 -3.679 1.00 54.34 O HETATM 1203 O HOH 122 22.237 -4.496 14.575 1.00 67.81 O HETATM 1204 O HOH 123 27.089 11.002 18.449 1.00 61.09 O HETATM 1205 O HOH 124 7.132 -5.360 2.218 1.00 55.74 O HETATM 1206 O HOH 125 19.166 4.361 -6.673 1.00 67.87 O HETATM 1207 O HOH 126 18.084 -8.741 -0.543 1.00 66.95 O HETATM 1208 O HOH 127 29.549 6.269 0.997 1.00 39.92 O HETATM 1209 O1 LP A 3 9.157 12.220 17.535 1.00 -0.37 O HETATM 1210 C1 LP A 3 8.618 11.788 16.533 1.00 0.23 C HETATM 1211 O1A LP A 3 7.355 11.408 16.596 1.00 -0.27 O HETATM 1212 C1A LP A 3 6.492 12.394 16.478 1.00 0.11 C HETATM 1213 C2A LP A 3 5.356 12.289 17.429 1.00 0.11 C HETATM 1214 O2A LP A 3 4.691 13.442 17.438 1.00 -0.39 O HETATM 1215 H4 LP A 3 3.962 13.381 18.045 1.00 0.21 H HETATM 1216 C3A LP A 3 4.435 11.206 17.011 1.00 0.11 C HETATM 1217 O3A LP A 3 3.826 10.591 18.039 1.00 -0.25 O HETATM 1218 P LP A 3 2.443 10.030 17.671 1.00 0.26 P HETATM 1219 O1B LP A 3 2.629 8.596 17.145 1.00 -0.62 O HETATM 1220 O2B LP A 3 1.562 10.136 18.937 1.00 -0.26 O HETATM 1221 C2B LP A 3 1.267 8.931 19.640 1.00 0.07 C HETATM 1222 H7 LP A 3 0.636 9.160 20.512 1.00 0.06 H HETATM 1223 H8 LP A 3 2.204 8.465 19.978 1.00 0.06 H HETATM 1224 H9 LP A 3 0.733 8.239 18.973 1.00 0.06 H HETATM 1225 O3B LP A 3 1.796 10.873 16.565 1.00 -0.62 O HETATM 1226 H5 LP A 3 5.012 10.456 16.450 1.00 0.06 H HETATM 1227 H6 LP A 3 3.663 11.639 16.358 1.00 0.06 H HETATM 1228 H3 LP A 3 5.741 12.074 18.437 1.00 0.06 H HETATM 1229 H1 LP A 3 6.093 12.389 15.453 1.00 0.06 H HETATM 1230 H2 LP A 3 7.017 13.343 16.663 1.00 0.06 H HETATM 1231 C2 LP A 3 9.433 11.693 15.255 1.00 0.05 C HETATM 1232 C3 LP A 3 9.800 10.254 14.896 1.00 -0.03 C HETATM 1233 C4 LP A 3 11.312 10.039 14.886 1.00 -0.05 C HETATM 1234 C5 LP A 3 11.485 8.537 14.848 1.00 -0.05 C HETATM 1235 C6 LP A 3 12.851 8.069 14.414 1.00 -0.05 C HETATM 1236 C7 LP A 3 12.642 6.925 13.433 1.00 -0.05 C HETATM 1237 C8 LP A 3 13.827 6.774 12.510 1.00 -0.05 C HETATM 1238 C9 LP A 3 13.375 6.033 11.261 1.00 -0.05 C HETATM 1239 C10 LP A 3 14.478 5.898 10.259 1.00 -0.05 C HETATM 1240 C11 LP A 3 13.677 5.693 9.000 1.00 -0.05 C HETATM 1241 C12 LP A 3 14.425 4.904 7.957 1.00 -0.05 C HETATM 1242 C13 LP A 3 15.923 5.043 7.947 1.00 -0.05 C HETATM 1243 C14 LP A 3 16.366 4.429 6.642 1.00 -0.05 C HETATM 1244 C15 LP A 3 17.853 4.518 6.537 1.00 -0.05 C HETATM 1245 C16 LP A 3 18.156 4.666 5.068 1.00 -0.05 C HETATM 1246 C17 LP A 3 19.582 4.307 4.777 1.00 -0.06 C HETATM 1247 C18 LP A 3 20.525 5.408 5.220 1.00 -0.07 C HETATM 1248 H42 LP A 3 21.561 5.116 4.994 1.00 0.02 H HETATM 1249 H43 LP A 3 20.418 5.569 6.303 1.00 0.02 H HETATM 1250 H44 LP A 3 20.281 6.337 4.685 1.00 0.02 H HETATM 1251 H40 LP A 3 19.699 4.149 3.695 1.00 0.03 H HETATM 1252 H41 LP A 3 19.835 3.380 5.313 1.00 0.03 H HETATM 1253 H38 LP A 3 17.979 5.709 4.767 1.00 0.03 H HETATM 1254 H39 LP A 3 17.493 4.001 4.495 1.00 0.03 H HETATM 1255 H36 LP A 3 18.320 3.604 6.934 1.00 0.03 H HETATM 1256 H37 LP A 3 18.224 5.391 7.094 1.00 0.03 H HETATM 1257 H34 LP A 3 15.905 4.973 5.804 1.00 0.03 H HETATM 1258 H35 LP A 3 16.057 3.374 6.608 1.00 0.03 H HETATM 1259 H32 LP A 3 16.366 4.504 8.797 1.00 0.03 H HETATM 1260 H33 LP A 3 16.213 6.103 7.993 1.00 0.03 H HETATM 1261 H30 LP A 3 14.055 5.221 6.971 1.00 0.03 H HETATM 1262 H31 LP A 3 14.191 3.841 8.112 1.00 0.03 H HETATM 1263 H28 LP A 3 13.422 6.678 8.581 1.00 0.03 H HETATM 1264 H29 LP A 3 12.753 5.153 9.255 1.00 0.03 H HETATM 1265 H26 LP A 3 15.122 5.033 10.477 1.00 0.03 H HETATM 1266 H27 LP A 3 15.093 6.809 10.206 1.00 0.03 H HETATM 1267 H24 LP A 3 12.543 6.587 10.801 1.00 0.03 H HETATM 1268 H25 LP A 3 13.032 5.028 11.549 1.00 0.03 H HETATM 1269 H22 LP A 3 14.620 6.202 13.014 1.00 0.03 H HETATM 1270 H23 LP A 3 14.211 7.767 12.234 1.00 0.03 H HETATM 1271 H20 LP A 3 11.743 7.127 12.832 1.00 0.03 H HETATM 1272 H21 LP A 3 12.504 5.990 13.996 1.00 0.03 H HETATM 1273 H18 LP A 3 13.424 7.719 15.285 1.00 0.03 H HETATM 1274 H19 LP A 3 13.393 8.891 13.925 1.00 0.03 H HETATM 1275 H16 LP A 3 10.744 8.125 14.148 1.00 0.03 H HETATM 1276 H17 LP A 3 11.294 8.145 15.858 1.00 0.03 H HETATM 1277 H14 LP A 3 11.770 10.460 15.793 1.00 0.03 H HETATM 1278 H15 LP A 3 11.764 10.504 13.998 1.00 0.03 H HETATM 1279 H12 LP A 3 9.401 10.024 13.897 1.00 0.03 H HETATM 1280 H13 LP A 3 9.349 9.576 15.636 1.00 0.03 H HETATM 1281 H10 LP A 3 10.360 12.271 15.385 1.00 0.05 H HETATM 1282 H11 LP A 3 8.846 12.123 14.430 1.00 0.05 H CONECT 1 10 11 12 1082 CONECT 1 2 CONECT 4 3 1082 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 68 67 582 CONECT 144 143 1084 CONECT 145 143 1083 1084 CONECT 205 204 434 CONECT 434 205 433 CONECT 444 443 977 CONECT 518 516 517 1083 1084 CONECT 582 68 581 CONECT 611 610 1075 CONECT 977 444 976 CONECT 1075 611 1074 CONECT 1082 1 4 CONECT 1083 145 518 CONECT 1084 144 145 518 CONECT 1209 1210 CONECT 1210 1209 1211 1231 CONECT 1211 1210 1212 CONECT 1212 1211 1213 1229 1230 CONECT 1213 1212 1214 1216 1228 CONECT 1214 1213 1215 CONECT 1215 1214 CONECT 1216 1213 1217 1226 1227 CONECT 1217 1216 1218 CONECT 1218 1217 1219 1220 1225 CONECT 1219 1218 CONECT 1220 1218 1221 CONECT 1221 1220 1222 1223 1224 CONECT 1222 1221 CONECT 1223 1221 CONECT 1224 1221 CONECT 1225 1218 CONECT 1226 1216 CONECT 1227 1216 CONECT 1228 1213 CONECT 1229 1212 CONECT 1230 1212 CONECT 1231 1210 1232 1281 1282 CONECT 1232 1231 1233 1279 1280 CONECT 1233 1232 1234 1277 1278 CONECT 1234 1233 1235 1275 1276 CONECT 1235 1234 1236 1273 1274 CONECT 1236 1235 1237 1271 1272 CONECT 1237 1236 1238 1269 1270 CONECT 1238 1237 1239 1267 1268 CONECT 1239 1238 1240 1265 1266 CONECT 1240 1239 1241 1263 1264 CONECT 1241 1240 1242 1261 1262 CONECT 1242 1241 1243 1259 1260 CONECT 1243 1242 1244 1257 1258 CONECT 1244 1243 1245 1255 1256 CONECT 1245 1244 1246 1253 1254 CONECT 1246 1245 1247 1251 1252 CONECT 1247 1246 1248 1249 1250 CONECT 1248 1247 CONECT 1249 1247 CONECT 1250 1247 CONECT 1251 1246 CONECT 1252 1246 CONECT 1253 1245 CONECT 1254 1245 CONECT 1255 1244 CONECT 1256 1244 CONECT 1257 1243 CONECT 1258 1243 CONECT 1259 1242 CONECT 1260 1242 CONECT 1261 1241 CONECT 1262 1241 CONECT 1263 1240 CONECT 1264 1240 CONECT 1265 1239 CONECT 1266 1239 CONECT 1267 1238 CONECT 1268 1238 CONECT 1269 1237 CONECT 1270 1237 CONECT 1271 1236 CONECT 1272 1236 CONECT 1273 1235 CONECT 1274 1235 CONECT 1275 1234 CONECT 1276 1234 CONECT 1277 1233 CONECT 1278 1233 CONECT 1279 1232 CONECT 1280 1232 CONECT 1281 1231 CONECT 1282 1231 MASTER 0 0 0 0 0 0 0 0 1281 1 94 6 END
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Structure:
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Related entries of code: 2rkn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2rkn
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
DIR1
Ligand Name
LP3
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=0.06uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) Protein Sci. Vol. 17: pp. 1522-1530
Ligand Properties
Formula
C
2
2
H
4
6
O
7
P
Molecular Weight
453.570
Exact Mass
453.298
No. of atoms
76
No. of bonds
75
Polar Surface Area
119.04
LOGP Value
6.58 (
Computed with XLOGP3
)
5.48 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 24
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 0
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(OC)(O)O)O
InChI String
InChI=1S/C22H47O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)28-19-21(23)20-29-30(25,26)27-2/h21,23,25-26,30H,3-20H2,1-2H3/t21-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8W453
Entrez Gene ID
NCBI Entrez Gene ID:
834904
ASD
Information of known allosteric effects of PDB entries
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