Browse entries in the PDBbind-CN Database
HEADER 2W5I_COMPLEX COMPND 2W5I_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET ASP SEQRES 2 A 123 SER SER THR SER ALA ALA SER SER SER ASN TYR CYS ASN SEQRES 3 A 123 GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG CYS SEQRES 4 A 123 LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA ASP SEQRES 5 A 123 VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS LYS SEQRES 6 A 123 ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR MET SEQRES 7 A 123 SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS TYR SEQRES 8 A 123 PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS HIS SEQRES 9 A 123 ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO VAL SEQRES 10 A 123 HIS PHE ASP ALA SER VAL HET ATP A 134 43 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 ATOM 1 N GLU A 2 36.817 -17.878 25.672 1.00 49.75 N ATOM 2 CA GLU A 2 35.849 -16.736 25.763 1.00 50.30 C ATOM 3 C GLU A 2 35.686 -16.171 24.367 1.00 48.82 C ATOM 4 O GLU A 2 36.686 -15.796 23.746 1.00 48.31 O ATOM 5 CB GLU A 2 36.356 -15.636 26.729 1.00 50.01 C ATOM 6 CG GLU A 2 35.235 -14.773 27.374 1.00 51.84 C ATOM 7 CD GLU A 2 35.758 -13.506 28.090 1.00 57.43 C ATOM 8 OE1 GLU A 2 36.964 -13.209 27.982 1.00 60.50 O ATOM 9 OE2 GLU A 2 34.966 -12.798 28.760 1.00 55.43 O ATOM 10 HA GLU A 2 34.897 -17.090 26.158 1.00 0.00 H ATOM 11 HB2 GLU A 2 36.917 -16.118 27.529 1.00 0.00 H ATOM 12 HB3 GLU A 2 37.018 -14.973 26.172 1.00 0.00 H ATOM 13 HG2 GLU A 2 34.544 -14.464 26.590 1.00 0.00 H ATOM 14 HG3 GLU A 2 34.705 -15.386 28.103 1.00 0.00 H ATOM 15 HN3 GLU A 2 37.728 -17.531 25.310 1.00 0.00 H ATOM 16 HN2 GLU A 2 36.439 -18.601 25.027 1.00 0.00 H ATOM 17 HN1 GLU A 2 36.953 -18.291 26.616 1.00 0.00 H ATOM 18 N THR A 3 34.443 -16.130 23.879 1.00 47.38 N ATOM 19 CA THR A 3 34.128 -15.601 22.535 1.00 46.25 C ATOM 20 C THR A 3 34.241 -14.088 22.571 1.00 45.12 C ATOM 21 O THR A 3 33.884 -13.477 23.573 1.00 45.47 O ATOM 22 CB THR A 3 32.665 -15.942 22.082 1.00 47.08 C ATOM 23 OG1 THR A 3 31.720 -15.292 22.949 1.00 45.18 O ATOM 24 CG2 THR A 3 32.397 -17.456 22.071 1.00 45.72 C ATOM 25 HA THR A 3 34.828 -16.059 21.836 1.00 0.00 H ATOM 26 HB THR A 3 32.549 -15.578 21.061 1.00 0.00 H ATOM 27 HG1 THR A 3 31.855 -14.312 22.907 1.00 0.00 H ATOM 28 HG23 THR A 3 33.115 -17.946 21.413 1.00 0.00 H ATOM 29 HG21 THR A 3 32.501 -17.850 23.082 1.00 0.00 H ATOM 30 HG22 THR A 3 31.385 -17.642 21.710 1.00 0.00 H ATOM 31 H THR A 3 33.664 -16.485 24.470 1.00 0.00 H ATOM 32 N ALA A 4 34.723 -13.484 21.488 1.00 43.75 N ATOM 33 CA ALA A 4 34.760 -12.014 21.350 1.00 41.19 C ATOM 34 C ALA A 4 33.451 -11.344 21.771 1.00 40.04 C ATOM 35 O ALA A 4 33.461 -10.249 22.364 1.00 39.39 O ATOM 36 CB ALA A 4 35.126 -11.619 19.928 1.00 41.47 C ATOM 37 HA ALA A 4 35.531 -11.656 22.032 1.00 0.00 H ATOM 38 HB1 ALA A 4 36.108 -12.022 19.682 1.00 0.00 H ATOM 39 HB2 ALA A 4 34.384 -12.020 19.238 1.00 0.00 H ATOM 40 HB3 ALA A 4 35.148 -10.532 19.848 1.00 0.00 H ATOM 41 H ALA A 4 35.087 -14.069 20.709 1.00 0.00 H ATOM 42 N ALA A 5 32.345 -12.025 21.495 1.00 38.45 N ATOM 43 CA ALA A 5 31.015 -11.535 21.829 1.00 38.97 C ATOM 44 C ALA A 5 30.798 -11.526 23.325 1.00 39.96 C ATOM 45 O ALA A 5 30.288 -10.552 23.879 1.00 40.78 O ATOM 46 CB ALA A 5 29.952 -12.401 21.162 1.00 39.03 C ATOM 47 HA ALA A 5 30.932 -10.512 21.462 1.00 0.00 H ATOM 48 HB1 ALA A 5 30.084 -12.368 20.081 1.00 0.00 H ATOM 49 HB2 ALA A 5 30.052 -13.429 21.510 1.00 0.00 H ATOM 50 HB3 ALA A 5 28.963 -12.023 21.420 1.00 0.00 H ATOM 51 H ALA A 5 32.432 -12.946 21.021 1.00 0.00 H ATOM 52 N ALA A 6 31.160 -12.638 23.969 1.00 40.30 N ATOM 53 CA ALA A 6 31.073 -12.791 25.413 1.00 38.95 C ATOM 54 C ALA A 6 32.026 -11.807 26.102 1.00 38.07 C ATOM 55 O ALA A 6 31.687 -11.204 27.120 1.00 39.20 O ATOM 56 CB ALA A 6 31.408 -14.219 25.795 1.00 39.15 C ATOM 57 HA ALA A 6 30.057 -12.571 25.741 1.00 0.00 H ATOM 58 HB1 ALA A 6 30.702 -14.897 25.315 1.00 0.00 H ATOM 59 HB2 ALA A 6 32.420 -14.454 25.466 1.00 0.00 H ATOM 60 HB3 ALA A 6 31.342 -14.329 26.877 1.00 0.00 H ATOM 61 H ALA A 6 31.523 -13.436 23.409 1.00 0.00 H ATOM 62 N LYS A 7 33.216 -11.647 25.542 1.00 36.28 N ATOM 63 CA LYS A 7 34.154 -10.648 26.022 1.00 35.41 C ATOM 64 C LYS A 7 33.579 -9.239 25.934 1.00 35.79 C ATOM 65 O LYS A 7 33.824 -8.429 26.826 1.00 36.65 O ATOM 66 CB LYS A 7 35.446 -10.703 25.229 1.00 35.10 C ATOM 67 CG LYS A 7 36.587 -9.921 25.860 1.00 35.79 C ATOM 68 CD LYS A 7 37.809 -9.979 24.984 1.00 38.20 C ATOM 69 CE LYS A 7 38.888 -9.033 25.538 1.00 46.26 C ATOM 70 NZ LYS A 7 39.466 -8.106 24.497 1.00 47.66 N ATOM 71 HA LYS A 7 34.351 -10.878 27.069 1.00 0.00 H ATOM 72 HB2 LYS A 7 35.751 -11.746 25.141 1.00 0.00 H ATOM 73 HB3 LYS A 7 35.258 -10.295 24.236 1.00 0.00 H ATOM 74 HG2 LYS A 7 36.284 -8.882 25.986 1.00 0.00 H ATOM 75 HG3 LYS A 7 36.822 -10.350 26.834 1.00 0.00 H ATOM 76 HD2 LYS A 7 38.195 -10.998 24.966 1.00 0.00 H ATOM 77 HD3 LYS A 7 37.544 -9.674 23.971 1.00 0.00 H ATOM 78 HE2 LYS A 7 39.697 -9.636 25.951 1.00 0.00 H ATOM 79 HE3 LYS A 7 38.445 -8.430 26.330 1.00 0.00 H ATOM 80 HZ1 LYS A 7 39.903 -8.668 23.738 1.00 0.00 H ATOM 81 HZ2 LYS A 7 38.707 -7.516 24.100 1.00 0.00 H ATOM 82 HZ3 LYS A 7 40.185 -7.498 24.937 1.00 0.00 H ATOM 83 H LYS A 7 33.485 -12.251 24.739 1.00 0.00 H ATOM 84 N PHE A 8 32.838 -8.936 24.862 1.00 34.95 N ATOM 85 CA PHE A 8 32.261 -7.608 24.714 1.00 35.22 C ATOM 86 C PHE A 8 31.202 -7.365 25.779 1.00 36.34 C ATOM 87 O PHE A 8 31.010 -6.239 26.239 1.00 36.22 O ATOM 88 CB PHE A 8 31.610 -7.407 23.327 1.00 35.17 C ATOM 89 CG PHE A 8 30.849 -6.106 23.209 1.00 30.50 C ATOM 90 CD1 PHE A 8 31.493 -4.942 22.787 1.00 32.22 C ATOM 91 CD2 PHE A 8 29.516 -6.037 23.551 1.00 27.28 C ATOM 92 CE1 PHE A 8 30.807 -3.736 22.690 1.00 31.60 C ATOM 93 CE2 PHE A 8 28.817 -4.820 23.469 1.00 30.60 C ATOM 94 CZ PHE A 8 29.463 -3.678 23.039 1.00 32.80 C ATOM 95 HA PHE A 8 33.082 -6.899 24.823 1.00 0.00 H ATOM 96 HB2 PHE A 8 32.395 -7.419 22.571 1.00 0.00 H ATOM 97 HB3 PHE A 8 30.919 -8.230 23.146 1.00 0.00 H ATOM 98 HD2 PHE A 8 28.998 -6.935 23.888 1.00 0.00 H ATOM 99 HE2 PHE A 8 27.763 -4.778 23.745 1.00 0.00 H ATOM 100 HZ PHE A 8 28.921 -2.735 22.974 1.00 0.00 H ATOM 101 HE1 PHE A 8 31.321 -2.840 22.342 1.00 0.00 H ATOM 102 HD1 PHE A 8 32.551 -4.979 22.529 1.00 0.00 H ATOM 103 H PHE A 8 32.673 -9.655 24.129 1.00 0.00 H ATOM 104 N GLU A 9 30.472 -8.421 26.123 1.00 37.41 N ATOM 105 CA GLU A 9 29.404 -8.286 27.089 1.00 38.46 C ATOM 106 C GLU A 9 30.029 -8.025 28.441 1.00 36.77 C ATOM 107 O GLU A 9 29.551 -7.163 29.155 1.00 37.40 O ATOM 108 CB GLU A 9 28.507 -9.514 27.119 1.00 38.91 C ATOM 109 CG GLU A 9 27.749 -9.774 25.829 1.00 45.38 C ATOM 110 CD GLU A 9 26.968 -11.068 25.901 1.00 52.40 C ATOM 111 OE1 GLU A 9 26.447 -11.346 26.995 1.00 57.85 O ATOM 112 OE2 GLU A 9 26.872 -11.800 24.887 1.00 54.36 O ATOM 113 HA GLU A 9 28.761 -7.452 26.807 1.00 0.00 H ATOM 114 HB2 GLU A 9 29.128 -10.384 27.330 1.00 0.00 H ATOM 115 HB3 GLU A 9 27.780 -9.385 27.921 1.00 0.00 H ATOM 116 HG2 GLU A 9 27.057 -8.951 25.651 1.00 0.00 H ATOM 117 HG3 GLU A 9 28.460 -9.834 25.005 1.00 0.00 H ATOM 118 H GLU A 9 30.670 -9.348 25.696 1.00 0.00 H ATOM 119 N ARG A 10 31.127 -8.710 28.752 1.00 35.78 N ATOM 120 CA ARG A 10 31.790 -8.558 30.066 1.00 36.57 C ATOM 121 C ARG A 10 32.437 -7.183 30.278 1.00 36.14 C ATOM 122 O ARG A 10 32.393 -6.631 31.387 1.00 35.94 O ATOM 123 CB ARG A 10 32.831 -9.669 30.300 1.00 37.46 C ATOM 124 CG ARG A 10 33.651 -9.540 31.615 1.00 38.11 C ATOM 125 CD ARG A 10 34.533 -10.785 31.825 1.00 37.92 C ATOM 126 NE ARG A 10 35.447 -11.021 30.706 1.00 39.13 N ATOM 127 CZ ARG A 10 36.668 -10.494 30.614 1.00 39.38 C ATOM 128 NH1 ARG A 10 37.119 -9.687 31.570 1.00 38.36 N ATOM 129 NH2 ARG A 10 37.430 -10.758 29.562 1.00 33.45 N ATOM 130 HA ARG A 10 30.991 -8.647 30.802 1.00 0.00 H ATOM 131 HB2 ARG A 10 32.306 -10.624 30.321 1.00 0.00 H ATOM 132 HB3 ARG A 10 33.530 -9.658 29.464 1.00 0.00 H ATOM 133 HG2 ARG A 10 34.286 -8.656 31.557 1.00 0.00 H ATOM 134 HG3 ARG A 10 32.966 -9.439 32.457 1.00 0.00 H ATOM 135 HD2 ARG A 10 33.887 -11.656 31.939 1.00 0.00 H ATOM 136 HD3 ARG A 10 35.120 -10.648 32.733 1.00 0.00 H ATOM 137 HE ARG A 10 35.123 -11.639 29.934 1.00 0.00 H ATOM 138 HH12 ARG A 10 38.072 -9.276 31.497 1.00 0.00 H ATOM 139 HH11 ARG A 10 36.519 -9.467 32.390 1.00 0.00 H ATOM 140 HH22 ARG A 10 38.382 -10.345 29.493 1.00 0.00 H ATOM 141 HH21 ARG A 10 37.076 -11.378 28.806 1.00 0.00 H ATOM 142 H ARG A 10 31.529 -9.368 28.054 1.00 0.00 H ATOM 143 N GLN A 11 33.027 -6.631 29.220 1.00 34.16 N ATOM 144 CA GLN A 11 33.670 -5.341 29.343 1.00 33.34 C ATOM 145 C GLN A 11 32.726 -4.171 29.164 1.00 33.59 C ATOM 146 O GLN A 11 33.022 -3.053 29.616 1.00 34.22 O ATOM 147 CB GLN A 11 34.822 -5.214 28.355 1.00 34.54 C ATOM 148 CG GLN A 11 35.752 -6.412 28.316 1.00 31.64 C ATOM 149 CD GLN A 11 37.031 -6.071 27.630 1.00 41.75 C ATOM 150 OE1 GLN A 11 38.023 -5.794 28.291 1.00 48.75 O ATOM 151 NE2 GLN A 11 37.019 -6.041 26.293 1.00 34.96 N ATOM 152 HA GLN A 11 34.044 -5.298 30.366 1.00 0.00 H ATOM 153 HB2 GLN A 11 34.403 -5.076 27.358 1.00 0.00 H ATOM 154 HB3 GLN A 11 35.408 -4.336 28.626 1.00 0.00 H ATOM 155 HG2 GLN A 11 35.968 -6.730 29.336 1.00 0.00 H ATOM 156 HG3 GLN A 11 35.264 -7.225 27.779 1.00 0.00 H ATOM 157 HE22 GLN A 11 36.151 -6.285 25.775 1.00 0.00 H ATOM 158 HE21 GLN A 11 37.878 -5.774 25.771 1.00 0.00 H ATOM 159 H GLN A 11 33.026 -7.127 28.306 1.00 0.00 H ATOM 160 N HIS A 12 31.593 -4.392 28.508 1.00 32.65 N ATOM 161 CA HIS A 12 30.814 -3.241 28.091 1.00 31.48 C ATOM 162 C HIS A 12 29.374 -3.209 28.513 1.00 31.08 C ATOM 163 O HIS A 12 28.767 -2.137 28.473 1.00 30.82 O ATOM 164 CB HIS A 12 30.992 -2.980 26.605 1.00 29.53 C ATOM 165 CG HIS A 12 32.411 -2.690 26.248 1.00 30.42 C ATOM 166 ND1 HIS A 12 33.093 -1.607 26.757 1.00 25.25 N ATOM 167 CD2 HIS A 12 33.301 -3.373 25.494 1.00 25.84 C ATOM 168 CE1 HIS A 12 34.329 -1.612 26.297 1.00 25.06 C ATOM 169 NE2 HIS A 12 34.481 -2.677 25.535 1.00 24.80 N ATOM 170 HA HIS A 12 31.236 -2.411 28.657 1.00 0.00 H ATOM 171 HB2 HIS A 12 30.664 -3.860 26.052 1.00 0.00 H ATOM 172 HB3 HIS A 12 30.377 -2.125 26.323 1.00 0.00 H ATOM 173 HD2 HIS A 12 33.115 -4.302 24.955 1.00 0.00 H ATOM 174 HE1 HIS A 12 35.093 -0.864 26.510 1.00 0.00 H ATOM 175 H HIS A 12 31.274 -5.360 28.300 1.00 0.00 H ATOM 176 N MET A 13 28.842 -4.346 28.949 1.00 31.03 N ATOM 177 CA MET A 13 27.414 -4.418 29.184 1.00 33.08 C ATOM 178 C MET A 13 27.082 -4.392 30.645 1.00 36.40 C ATOM 179 O MET A 13 27.698 -5.092 31.447 1.00 36.70 O ATOM 180 CB MET A 13 26.775 -5.650 28.555 1.00 31.87 C ATOM 181 CG MET A 13 26.666 -5.669 27.023 1.00 33.93 C ATOM 182 SD MET A 13 25.755 -4.333 26.232 1.00 36.85 S ATOM 183 CE MET A 13 24.096 -4.557 26.854 1.00 32.98 C ATOM 184 HA MET A 13 27.001 -3.530 28.705 1.00 0.00 H ATOM 185 HB2 MET A 13 27.364 -6.517 28.855 1.00 0.00 H ATOM 186 HB3 MET A 13 25.767 -5.741 28.959 1.00 0.00 H ATOM 187 HG2 MET A 13 26.182 -6.604 26.742 1.00 0.00 H ATOM 188 HG3 MET A 13 27.680 -5.653 26.624 1.00 0.00 H ATOM 189 HE1 MET A 13 23.731 -5.543 26.565 1.00 0.00 H ATOM 190 HE2 MET A 13 24.103 -4.475 27.941 1.00 0.00 H ATOM 191 HE3 MET A 13 23.445 -3.790 26.434 1.00 0.00 H ATOM 192 H MET A 13 29.445 -5.176 29.120 1.00 0.00 H ATOM 193 N ASP A 14 26.065 -3.605 30.979 1.00 40.36 N ATOM 194 CA ASP A 14 25.474 -3.648 32.307 1.00 44.60 C ATOM 195 C ASP A 14 23.946 -3.400 32.300 1.00 46.56 C ATOM 196 O ASP A 14 23.483 -2.280 32.469 1.00 46.57 O ATOM 197 CB ASP A 14 26.199 -2.655 33.226 1.00 45.89 C ATOM 198 CG ASP A 14 25.710 -2.719 34.667 1.00 48.65 C ATOM 199 OD1 ASP A 14 25.416 -3.853 35.138 1.00 49.98 O ATOM 200 OD2 ASP A 14 25.610 -1.633 35.290 1.00 45.93 O ATOM 201 HA ASP A 14 25.605 -4.659 32.693 1.00 0.00 H ATOM 202 HB2 ASP A 14 27.265 -2.880 33.210 1.00 0.00 H ATOM 203 HB3 ASP A 14 26.036 -1.646 32.847 1.00 0.00 H ATOM 204 H ASP A 14 25.683 -2.943 30.274 1.00 0.00 H ATOM 205 N SER A 15 23.178 -4.460 32.107 1.00 50.20 N ATOM 206 CA SER A 15 21.724 -4.384 32.168 1.00 54.25 C ATOM 207 C SER A 15 21.232 -4.170 33.617 1.00 57.11 C ATOM 208 O SER A 15 20.282 -3.404 33.852 1.00 57.52 O ATOM 209 CB SER A 15 21.131 -5.658 31.590 1.00 53.72 C ATOM 210 OG SER A 15 21.961 -6.147 30.550 1.00 56.85 O ATOM 211 HA SER A 15 21.395 -3.527 31.581 1.00 0.00 H ATOM 212 HB2 SER A 15 20.138 -5.447 31.192 1.00 0.00 H ATOM 213 HB3 SER A 15 21.054 -6.410 32.375 1.00 0.00 H ATOM 214 HG SER A 15 21.569 -6.977 30.179 1.00 0.00 H ATOM 215 H SER A 15 23.626 -5.377 31.905 1.00 0.00 H ATOM 216 N SER A 16 21.894 -4.840 34.571 1.00 59.61 N ATOM 217 CA SER A 16 21.647 -4.681 36.017 1.00 62.12 C ATOM 218 C SER A 16 21.087 -3.324 36.476 1.00 63.84 C ATOM 219 O SER A 16 20.187 -3.287 37.317 1.00 64.01 O ATOM 220 CB SER A 16 22.911 -5.021 36.819 1.00 61.94 C ATOM 221 OG SER A 16 23.038 -6.425 37.016 1.00 64.02 O ATOM 222 HA SER A 16 20.844 -5.389 36.221 1.00 0.00 H ATOM 223 HB2 SER A 16 22.858 -4.529 37.790 1.00 0.00 H ATOM 224 HB3 SER A 16 23.784 -4.658 36.277 1.00 0.00 H ATOM 225 HG SER A 16 23.860 -6.611 37.535 1.00 0.00 H ATOM 226 H SER A 16 22.628 -5.514 34.273 1.00 0.00 H ATOM 227 N THR A 17 21.614 -2.221 35.931 1.00 65.72 N ATOM 228 CA THR A 17 21.213 -0.866 36.347 1.00 67.10 C ATOM 229 C THR A 17 21.004 0.116 35.186 1.00 68.71 C ATOM 230 O THR A 17 21.700 0.060 34.167 1.00 68.86 O ATOM 231 CB THR A 17 22.232 -0.236 37.315 1.00 67.21 C ATOM 232 OG1 THR A 17 23.536 -0.293 36.731 1.00 65.03 O ATOM 233 CG2 THR A 17 22.226 -0.957 38.674 1.00 67.38 C ATOM 234 HA THR A 17 20.254 -1.021 36.841 1.00 0.00 H ATOM 235 HB THR A 17 21.953 0.803 37.489 1.00 0.00 H ATOM 236 HG1 THR A 17 23.779 -1.238 36.561 1.00 0.00 H ATOM 237 HG23 THR A 17 21.227 -0.906 39.107 1.00 0.00 H ATOM 238 HG21 THR A 17 22.508 -2.000 38.532 1.00 0.00 H ATOM 239 HG22 THR A 17 22.938 -0.474 39.343 1.00 0.00 H ATOM 240 H THR A 17 22.333 -2.324 35.187 1.00 0.00 H ATOM 241 N SER A 18 20.052 1.032 35.367 1.00 69.57 N ATOM 242 CA SER A 18 19.721 2.027 34.353 1.00 70.40 C ATOM 243 C SER A 18 20.829 3.086 34.224 1.00 70.98 C ATOM 244 O SER A 18 20.882 3.837 33.242 1.00 70.97 O ATOM 245 CB SER A 18 18.363 2.681 34.667 1.00 70.23 C ATOM 246 HA SER A 18 19.644 1.519 33.392 1.00 0.00 H ATOM 247 HB2 SER A 18 17.587 1.916 34.681 1.00 0.00 H ATOM 248 HB3 SER A 18 18.412 3.168 35.641 1.00 0.00 H ATOM 249 H SER A 18 19.526 1.037 36.264 1.00 0.00 H ATOM 250 N ALA A 19 21.703 3.145 35.223 1.00 71.14 N ATOM 251 CA ALA A 19 22.858 4.041 35.201 1.00 72.20 C ATOM 252 C ALA A 19 23.681 3.890 36.476 1.00 72.66 C ATOM 253 O ALA A 19 23.328 3.119 37.387 1.00 73.11 O ATOM 254 CB ALA A 19 22.430 5.522 34.993 1.00 71.98 C ATOM 255 HA ALA A 19 23.480 3.757 34.352 1.00 0.00 H ATOM 256 HB1 ALA A 19 21.902 5.617 34.044 1.00 0.00 H ATOM 257 HB2 ALA A 19 21.773 5.827 35.807 1.00 0.00 H ATOM 258 HB3 ALA A 19 23.316 6.157 34.982 1.00 0.00 H ATOM 259 H ALA A 19 21.560 2.532 36.051 1.00 0.00 H ATOM 260 N ALA A 20 24.794 4.613 36.518 1.00 73.07 N ATOM 261 CA ALA A 20 25.611 4.698 37.713 1.00 73.86 C ATOM 262 C ALA A 20 24.928 5.693 38.632 1.00 74.14 C ATOM 263 O ALA A 20 24.518 6.761 38.169 1.00 74.30 O ATOM 264 CB ALA A 20 26.998 5.189 37.358 1.00 73.74 C ATOM 265 HA ALA A 20 25.714 3.724 38.191 1.00 0.00 H ATOM 266 HB1 ALA A 20 27.459 4.494 36.656 1.00 0.00 H ATOM 267 HB2 ALA A 20 26.927 6.176 36.901 1.00 0.00 H ATOM 268 HB3 ALA A 20 27.603 5.249 38.262 1.00 0.00 H ATOM 269 H ALA A 20 25.089 5.134 35.668 1.00 0.00 H ATOM 270 N SER A 21 24.786 5.339 39.913 1.00 74.33 N ATOM 271 CA SER A 21 24.211 6.251 40.921 1.00 74.07 C ATOM 272 C SER A 21 25.301 7.027 41.672 1.00 73.74 C ATOM 273 O SER A 21 25.171 8.238 41.888 1.00 73.89 O ATOM 274 CB SER A 21 23.310 5.496 41.904 1.00 74.30 C ATOM 275 HA SER A 21 23.598 6.975 40.385 1.00 0.00 H ATOM 276 HB2 SER A 21 22.494 5.023 41.357 1.00 0.00 H ATOM 277 HB3 SER A 21 23.895 4.733 42.418 1.00 0.00 H ATOM 278 H SER A 21 25.091 4.390 40.209 1.00 0.00 H ATOM 279 N SER A 22 26.378 6.329 42.036 1.00 73.14 N ATOM 280 CA SER A 22 27.481 6.915 42.804 1.00 72.46 C ATOM 281 C SER A 22 28.616 7.383 41.896 1.00 72.20 C ATOM 282 O SER A 22 28.605 7.133 40.692 1.00 73.08 O ATOM 283 CB SER A 22 28.016 5.909 43.836 1.00 72.38 C ATOM 284 OG SER A 22 29.112 5.166 43.321 1.00 71.80 O ATOM 285 HA SER A 22 27.086 7.787 43.325 1.00 0.00 H ATOM 286 HB2 SER A 22 27.216 5.219 44.106 1.00 0.00 H ATOM 287 HB3 SER A 22 28.342 6.451 44.724 1.00 0.00 H ATOM 288 HG SER A 22 29.431 4.530 44.009 1.00 0.00 H ATOM 289 H SER A 22 26.438 5.327 41.764 1.00 0.00 H ATOM 290 N SER A 23 29.600 8.061 42.481 1.00 71.40 N ATOM 291 CA SER A 23 30.826 8.412 41.763 1.00 69.93 C ATOM 292 C SER A 23 31.850 7.262 41.820 1.00 68.66 C ATOM 293 O SER A 23 32.973 7.414 41.338 1.00 68.18 O ATOM 294 CB SER A 23 31.427 9.711 42.320 1.00 69.80 C ATOM 295 HA SER A 23 30.570 8.577 40.717 1.00 0.00 H ATOM 296 HB2 SER A 23 30.707 10.521 42.206 1.00 0.00 H ATOM 297 HB3 SER A 23 31.662 9.578 43.376 1.00 0.00 H ATOM 298 H SER A 23 29.495 8.349 43.475 1.00 0.00 H ATOM 299 N ASN A 24 31.459 6.121 42.403 1.00 67.03 N ATOM 300 CA ASN A 24 32.348 4.951 42.497 1.00 65.51 C ATOM 301 C ASN A 24 31.759 3.655 41.913 1.00 64.11 C ATOM 302 O ASN A 24 32.053 2.550 42.406 1.00 63.92 O ATOM 303 CB ASN A 24 32.836 4.731 43.945 1.00 66.19 C ATOM 304 HA ASN A 24 33.203 5.194 41.866 1.00 0.00 H ATOM 305 HB2 ASN A 24 33.384 5.611 44.280 1.00 0.00 H ATOM 306 HB3 ASN A 24 31.977 4.567 44.596 1.00 0.00 H ATOM 307 H ASN A 24 30.500 6.060 42.801 1.00 0.00 H ATOM 308 N TYR A 25 30.934 3.807 40.867 1.00 61.64 N ATOM 309 CA TYR A 25 30.442 2.698 40.028 1.00 58.34 C ATOM 310 C TYR A 25 31.619 2.004 39.351 1.00 56.36 C ATOM 311 O TYR A 25 31.781 0.787 39.403 1.00 54.66 O ATOM 312 CB TYR A 25 29.498 3.264 38.960 1.00 58.36 C ATOM 313 CG TYR A 25 29.073 2.319 37.838 1.00 54.26 C ATOM 314 CD1 TYR A 25 27.910 1.566 37.951 1.00 53.50 C ATOM 315 CD2 TYR A 25 29.813 2.222 36.649 1.00 52.83 C ATOM 316 CE1 TYR A 25 27.502 0.709 36.929 1.00 57.96 C ATOM 317 CE2 TYR A 25 29.415 1.375 35.608 1.00 53.95 C ATOM 318 CZ TYR A 25 28.254 0.627 35.758 1.00 58.19 C ATOM 319 OH TYR A 25 27.827 -0.211 34.761 1.00 60.53 O ATOM 320 HA TYR A 25 29.911 1.976 40.648 1.00 0.00 H ATOM 321 HB3 TYR A 25 29.996 4.118 38.500 1.00 0.00 H ATOM 322 HB2 TYR A 25 28.594 3.602 39.466 1.00 0.00 H ATOM 323 HD2 TYR A 25 30.717 2.819 36.534 1.00 0.00 H ATOM 324 HE2 TYR A 25 30.006 1.304 34.695 1.00 0.00 H ATOM 325 HE1 TYR A 25 26.601 0.107 37.045 1.00 0.00 H ATOM 326 HD1 TYR A 25 27.306 1.647 38.855 1.00 0.00 H ATOM 327 HH TYR A 25 26.990 -0.658 35.043 1.00 0.00 H ATOM 328 H TYR A 25 30.620 4.770 40.632 1.00 0.00 H ATOM 329 N CYS A 26 32.441 2.829 38.728 1.00 55.51 N ATOM 330 CA CYS A 26 33.612 2.400 38.002 1.00 55.20 C ATOM 331 C CYS A 26 34.577 1.538 38.817 1.00 55.44 C ATOM 332 O CYS A 26 34.981 0.469 38.359 1.00 55.32 O ATOM 333 CB CYS A 26 34.285 3.632 37.414 1.00 54.70 C ATOM 334 SG CYS A 26 33.317 4.262 36.023 1.00 54.14 S ATOM 335 HA CYS A 26 33.290 1.732 37.203 1.00 0.00 H ATOM 336 HB2 CYS A 26 35.284 3.367 37.068 1.00 0.00 H ATOM 337 HB3 CYS A 26 34.360 4.403 38.181 1.00 0.00 H ATOM 338 H CYS A 26 32.232 3.847 38.763 1.00 0.00 H ATOM 339 N ASN A 27 34.902 1.985 40.032 1.00 56.10 N ATOM 340 CA ASN A 27 35.755 1.226 40.953 1.00 55.94 C ATOM 341 C ASN A 27 35.226 -0.185 41.161 1.00 55.13 C ATOM 342 O ASN A 27 35.977 -1.136 40.986 1.00 54.44 O ATOM 343 CB ASN A 27 35.948 1.960 42.297 1.00 56.19 C ATOM 344 CG ASN A 27 36.916 3.174 42.202 1.00 59.35 C ATOM 345 OD1 ASN A 27 37.993 3.102 41.593 1.00 62.95 O ATOM 346 ND2 ASN A 27 36.527 4.284 42.829 1.00 61.92 N ATOM 347 HA ASN A 27 36.738 1.146 40.489 1.00 0.00 H ATOM 348 HB2 ASN A 27 34.977 2.318 42.639 1.00 0.00 H ATOM 349 HB3 ASN A 27 36.350 1.253 43.023 1.00 0.00 H ATOM 350 HD22 ASN A 27 35.616 4.306 43.330 1.00 0.00 H ATOM 351 HD21 ASN A 27 37.135 5.128 42.817 1.00 0.00 H ATOM 352 H ASN A 27 34.536 2.909 40.338 1.00 0.00 H ATOM 353 N GLN A 28 33.938 -0.317 41.490 1.00 55.31 N ATOM 354 CA GLN A 28 33.327 -1.636 41.717 1.00 56.69 C ATOM 355 C GLN A 28 33.243 -2.472 40.444 1.00 56.21 C ATOM 356 O GLN A 28 33.529 -3.682 40.444 1.00 55.86 O ATOM 357 CB GLN A 28 31.916 -1.503 42.297 1.00 57.83 C ATOM 358 CG GLN A 28 31.866 -1.114 43.772 1.00 63.83 C ATOM 359 CD GLN A 28 30.474 -1.300 44.377 1.00 73.49 C ATOM 360 OE1 GLN A 28 29.701 -0.336 44.493 1.00 69.42 O ATOM 361 NE2 GLN A 28 30.145 -2.552 44.757 1.00 70.80 N ATOM 362 HA GLN A 28 33.980 -2.143 42.427 1.00 0.00 H ATOM 363 HB2 GLN A 28 31.385 -0.741 41.727 1.00 0.00 H ATOM 364 HB3 GLN A 28 31.409 -2.461 42.181 1.00 0.00 H ATOM 365 HG2 GLN A 28 32.573 -1.735 44.322 1.00 0.00 H ATOM 366 HG3 GLN A 28 32.153 -0.067 43.868 1.00 0.00 H ATOM 367 HE22 GLN A 28 30.828 -3.328 44.639 1.00 0.00 H ATOM 368 HE21 GLN A 28 29.208 -2.742 45.168 1.00 0.00 H ATOM 369 H GLN A 28 33.351 0.536 41.588 1.00 0.00 H ATOM 370 N MET A 29 32.834 -1.820 39.358 1.00 55.70 N ATOM 371 CA MET A 29 32.572 -2.522 38.112 1.00 54.29 C ATOM 372 C MET A 29 33.860 -2.961 37.423 1.00 53.50 C ATOM 373 O MET A 29 33.964 -4.109 37.002 1.00 52.93 O ATOM 374 CB MET A 29 31.690 -1.682 37.183 1.00 54.93 C ATOM 375 CG MET A 29 30.202 -1.648 37.555 1.00 52.05 C ATOM 376 SD MET A 29 29.394 -3.255 37.764 1.00 57.34 S ATOM 377 CE MET A 29 30.129 -4.292 36.499 1.00 54.79 C ATOM 378 HA MET A 29 32.023 -3.431 38.358 1.00 0.00 H ATOM 379 HB2 MET A 29 32.065 -0.659 37.195 1.00 0.00 H ATOM 380 HB3 MET A 29 31.777 -2.088 36.175 1.00 0.00 H ATOM 381 HG2 MET A 29 29.674 -1.110 36.768 1.00 0.00 H ATOM 382 HG3 MET A 29 30.106 -1.102 38.494 1.00 0.00 H ATOM 383 HE1 MET A 29 29.932 -3.861 35.518 1.00 0.00 H ATOM 384 HE2 MET A 29 31.205 -4.353 36.661 1.00 0.00 H ATOM 385 HE3 MET A 29 29.695 -5.291 36.552 1.00 0.00 H ATOM 386 H MET A 29 32.699 -0.790 39.402 1.00 0.00 H ATOM 387 N MET A 30 34.839 -2.060 37.328 1.00 53.00 N ATOM 388 CA MET A 30 36.124 -2.395 36.707 1.00 53.37 C ATOM 389 C MET A 30 36.795 -3.577 37.400 1.00 54.41 C ATOM 390 O MET A 30 37.325 -4.456 36.725 1.00 55.15 O ATOM 391 CB MET A 30 37.082 -1.196 36.667 1.00 53.46 C ATOM 392 CG MET A 30 36.651 -0.036 35.756 1.00 51.25 C ATOM 393 SD MET A 30 36.534 -0.427 33.994 1.00 43.30 S ATOM 394 CE MET A 30 38.243 -0.207 33.486 1.00 33.83 C ATOM 395 HA MET A 30 35.898 -2.678 35.679 1.00 0.00 H ATOM 396 HB2 MET A 30 37.179 -0.809 37.681 1.00 0.00 H ATOM 397 HB3 MET A 30 38.052 -1.552 36.321 1.00 0.00 H ATOM 398 HG2 MET A 30 37.375 0.770 35.873 1.00 0.00 H ATOM 399 HG3 MET A 30 35.671 0.306 36.089 1.00 0.00 H ATOM 400 HE1 MET A 30 38.551 0.819 33.686 1.00 0.00 H ATOM 401 HE2 MET A 30 38.878 -0.894 34.045 1.00 0.00 H ATOM 402 HE3 MET A 30 38.333 -0.413 32.419 1.00 0.00 H ATOM 403 H MET A 30 34.688 -1.101 37.702 1.00 0.00 H ATOM 404 N LYS A 31 36.769 -3.596 38.737 1.00 55.03 N ATOM 405 CA LYS A 31 37.319 -4.703 39.519 1.00 55.07 C ATOM 406 C LYS A 31 36.514 -5.982 39.293 1.00 55.45 C ATOM 407 O LYS A 31 37.091 -7.030 39.003 1.00 56.37 O ATOM 408 CB LYS A 31 37.360 -4.350 41.011 1.00 55.08 C ATOM 409 HA LYS A 31 38.340 -4.878 39.181 1.00 0.00 H ATOM 410 HB2 LYS A 31 37.987 -3.470 41.158 1.00 0.00 H ATOM 411 HB3 LYS A 31 36.349 -4.140 41.361 1.00 0.00 H ATOM 412 H LYS A 31 36.341 -2.793 39.240 1.00 0.00 H ATOM 413 N SER A 32 35.189 -5.887 39.400 1.00 55.24 N ATOM 414 CA SER A 32 34.315 -7.069 39.333 1.00 55.12 C ATOM 415 C SER A 32 34.164 -7.730 37.959 1.00 54.72 C ATOM 416 O SER A 32 33.644 -8.834 37.871 1.00 55.10 O ATOM 417 CB SER A 32 32.934 -6.759 39.921 1.00 55.54 C ATOM 418 OG SER A 32 32.360 -5.612 39.331 1.00 58.13 O ATOM 419 HA SER A 32 34.839 -7.810 39.937 1.00 0.00 H ATOM 420 HB2 SER A 32 33.036 -6.591 40.993 1.00 0.00 H ATOM 421 HB3 SER A 32 32.277 -7.611 39.749 1.00 0.00 H ATOM 422 HG SER A 32 32.948 -4.832 39.489 1.00 0.00 H ATOM 423 H SER A 32 34.760 -4.949 39.535 1.00 0.00 H ATOM 424 N ARG A 33 34.627 -7.068 36.900 1.00 54.07 N ATOM 425 CA ARG A 33 34.589 -7.632 35.543 1.00 52.89 C ATOM 426 C ARG A 33 35.977 -8.045 35.040 1.00 54.09 C ATOM 427 O ARG A 33 36.158 -8.308 33.832 1.00 54.52 O ATOM 428 CB ARG A 33 33.975 -6.636 34.550 1.00 52.37 C ATOM 429 CG ARG A 33 32.524 -6.251 34.789 1.00 48.29 C ATOM 430 CD ARG A 33 31.553 -7.418 34.584 1.00 51.37 C ATOM 431 NE ARG A 33 30.169 -7.002 34.813 1.00 46.28 N ATOM 432 CZ ARG A 33 29.331 -6.591 33.864 1.00 47.39 C ATOM 433 NH1 ARG A 33 29.703 -6.554 32.566 1.00 42.23 N ATOM 434 NH2 ARG A 33 28.111 -6.207 34.223 1.00 42.40 N ATOM 435 HA ARG A 33 33.967 -8.525 35.604 1.00 0.00 H ATOM 436 HB2 ARG A 33 34.570 -5.724 34.584 1.00 0.00 H ATOM 437 HB3 ARG A 33 34.042 -7.075 33.555 1.00 0.00 H ATOM 438 HG2 ARG A 33 32.424 -5.891 35.813 1.00 0.00 H ATOM 439 HG3 ARG A 33 32.258 -5.452 34.097 1.00 0.00 H ATOM 440 HD2 ARG A 33 31.804 -8.217 35.282 1.00 0.00 H ATOM 441 HD3 ARG A 33 31.650 -7.786 33.562 1.00 0.00 H ATOM 442 HE ARG A 33 29.814 -7.029 35.790 1.00 0.00 H ATOM 443 HH12 ARG A 33 29.031 -6.229 31.842 1.00 0.00 H ATOM 444 HH11 ARG A 33 30.661 -6.850 32.291 1.00 0.00 H ATOM 445 HH22 ARG A 33 27.435 -5.881 33.503 1.00 0.00 H ATOM 446 HH21 ARG A 33 27.832 -6.232 35.224 1.00 0.00 H ATOM 447 H ARG A 33 35.029 -6.119 37.038 1.00 0.00 H ATOM 448 N ASN A 34 36.950 -8.081 35.954 1.00 53.88 N ATOM 449 CA ASN A 34 38.323 -8.507 35.654 1.00 54.77 C ATOM 450 C ASN A 34 39.104 -7.534 34.765 1.00 54.42 C ATOM 451 O ASN A 34 40.105 -7.910 34.126 1.00 54.28 O ATOM 452 CB ASN A 34 38.349 -9.909 35.036 1.00 55.47 C ATOM 453 CG ASN A 34 37.818 -10.980 35.975 1.00 60.63 C ATOM 454 OD1 ASN A 34 36.750 -10.829 36.580 1.00 67.47 O ATOM 455 ND2 ASN A 34 38.549 -12.089 36.074 1.00 66.48 N ATOM 456 HA ASN A 34 38.829 -8.520 36.619 1.00 0.00 H ATOM 457 HB2 ASN A 34 37.737 -9.903 34.134 1.00 0.00 H ATOM 458 HB3 ASN A 34 39.378 -10.155 34.774 1.00 0.00 H ATOM 459 HD22 ASN A 34 39.441 -12.172 35.547 1.00 0.00 H ATOM 460 HD21 ASN A 34 38.227 -12.872 36.679 1.00 0.00 H ATOM 461 H ASN A 34 36.724 -7.793 36.927 1.00 0.00 H ATOM 462 N LEU A 35 38.657 -6.284 34.733 1.00 53.93 N ATOM 463 CA LEU A 35 39.282 -5.292 33.866 1.00 54.32 C ATOM 464 C LEU A 35 40.541 -4.724 34.498 1.00 55.30 C ATOM 465 O LEU A 35 41.364 -4.134 33.809 1.00 56.30 O ATOM 466 CB LEU A 35 38.295 -4.166 33.498 1.00 53.75 C ATOM 467 CG LEU A 35 37.050 -4.558 32.692 1.00 50.54 C ATOM 468 CD1 LEU A 35 36.340 -3.351 32.190 1.00 45.24 C ATOM 469 CD2 LEU A 35 37.419 -5.447 31.519 1.00 50.19 C ATOM 470 HA LEU A 35 39.568 -5.798 32.944 1.00 0.00 H ATOM 471 HB2 LEU A 35 37.954 -3.712 34.428 1.00 0.00 H ATOM 472 HB3 LEU A 35 38.844 -3.427 32.915 1.00 0.00 H ATOM 473 HG LEU A 35 36.389 -5.108 33.362 1.00 0.00 H ATOM 474 HD21 LEU A 35 38.107 -4.914 30.863 1.00 0.00 H ATOM 475 HD22 LEU A 35 37.897 -6.354 31.889 1.00 0.00 H ATOM 476 HD23 LEU A 35 36.517 -5.709 30.966 1.00 0.00 H ATOM 477 HD11 LEU A 35 36.031 -2.735 33.035 1.00 0.00 H ATOM 478 HD12 LEU A 35 37.009 -2.779 31.547 1.00 0.00 H ATOM 479 HD13 LEU A 35 35.462 -3.658 31.622 1.00 0.00 H ATOM 480 H LEU A 35 37.853 -6.010 35.333 1.00 0.00 H ATOM 481 N THR A 36 40.682 -4.905 35.807 1.00 56.07 N ATOM 482 CA THR A 36 41.844 -4.411 36.548 1.00 56.67 C ATOM 483 C THR A 36 42.747 -5.559 37.014 1.00 56.91 C ATOM 484 O THR A 36 43.326 -5.490 38.092 1.00 57.98 O ATOM 485 CB THR A 36 41.413 -3.560 37.772 1.00 56.89 C ATOM 486 OG1 THR A 36 40.709 -4.375 38.721 1.00 55.31 O ATOM 487 CG2 THR A 36 40.525 -2.392 37.335 1.00 58.33 C ATOM 488 HA THR A 36 42.409 -3.781 35.861 1.00 0.00 H ATOM 489 HB THR A 36 42.312 -3.159 38.240 1.00 0.00 H ATOM 490 HG1 THR A 36 41.300 -5.108 39.028 1.00 0.00 H ATOM 491 HG23 THR A 36 41.064 -1.777 36.615 1.00 0.00 H ATOM 492 HG21 THR A 36 39.617 -2.780 36.875 1.00 0.00 H ATOM 493 HG22 THR A 36 40.264 -1.790 38.205 1.00 0.00 H ATOM 494 H THR A 36 39.939 -5.417 36.324 1.00 0.00 H ATOM 495 N LYS A 37 42.873 -6.607 36.202 1.00 56.77 N ATOM 496 CA LYS A 37 43.542 -7.841 36.652 1.00 56.81 C ATOM 497 C LYS A 37 45.045 -7.880 36.361 1.00 55.56 C ATOM 498 O LYS A 37 45.833 -8.091 37.269 1.00 55.51 O ATOM 499 CB LYS A 37 42.851 -9.107 36.094 1.00 56.77 C ATOM 500 HA LYS A 37 43.440 -7.832 37.737 1.00 0.00 H ATOM 501 HB2 LYS A 37 41.816 -9.135 36.435 1.00 0.00 H ATOM 502 HB3 LYS A 37 42.875 -9.082 35.005 1.00 0.00 H ATOM 503 H LYS A 37 42.493 -6.554 35.235 1.00 0.00 H ATOM 504 N ASP A 38 45.423 -7.711 35.099 1.00 54.23 N ATOM 505 CA ASP A 38 46.819 -7.786 34.690 1.00 53.44 C ATOM 506 C ASP A 38 47.478 -6.413 34.758 1.00 51.96 C ATOM 507 O ASP A 38 48.701 -6.288 34.656 1.00 52.00 O ATOM 508 CB ASP A 38 46.918 -8.335 33.254 1.00 53.63 C ATOM 509 HA ASP A 38 47.339 -8.457 35.373 1.00 0.00 H ATOM 510 HB2 ASP A 38 46.478 -9.332 33.216 1.00 0.00 H ATOM 511 HB3 ASP A 38 46.380 -7.673 32.575 1.00 0.00 H ATOM 512 H ASP A 38 44.698 -7.519 34.379 1.00 0.00 H ATOM 513 N ARG A 39 46.642 -5.391 34.887 1.00 49.89 N ATOM 514 CA ARG A 39 47.058 -3.999 34.862 1.00 48.67 C ATOM 515 C ARG A 39 45.790 -3.196 35.062 1.00 48.66 C ATOM 516 O ARG A 39 44.714 -3.773 35.213 1.00 48.67 O ATOM 517 CB ARG A 39 47.720 -3.643 33.543 1.00 47.93 C ATOM 518 CG ARG A 39 46.751 -3.321 32.408 1.00 48.86 C ATOM 519 HA ARG A 39 47.797 -3.791 35.636 1.00 0.00 H ATOM 520 HB2 ARG A 39 48.354 -2.772 33.706 1.00 0.00 H ATOM 521 HB3 ARG A 39 48.337 -4.487 33.234 1.00 0.00 H ATOM 522 HG2 ARG A 39 46.115 -4.186 32.218 1.00 0.00 H ATOM 523 HG3 ARG A 39 46.133 -2.469 32.691 1.00 0.00 H ATOM 524 H ARG A 39 45.631 -5.598 35.013 1.00 0.00 H ATOM 525 N CYS A 40 45.908 -1.878 35.108 1.00 48.56 N ATOM 526 CA CYS A 40 44.730 -1.024 35.266 1.00 48.32 C ATOM 527 C CYS A 40 44.342 -0.526 33.864 1.00 48.04 C ATOM 528 O CYS A 40 45.047 0.308 33.273 1.00 47.89 O ATOM 529 CB CYS A 40 45.015 0.187 36.188 1.00 48.64 C ATOM 530 SG CYS A 40 45.341 -0.022 37.970 1.00 45.58 S ATOM 531 HA CYS A 40 43.925 -1.595 35.730 1.00 0.00 H ATOM 532 HB2 CYS A 40 44.148 0.843 36.109 1.00 0.00 H ATOM 533 HB3 CYS A 40 45.889 0.690 35.773 1.00 0.00 H ATOM 534 H CYS A 40 46.850 -1.444 35.031 1.00 0.00 H ATOM 535 N LYS A 41 43.242 -1.039 33.321 1.00 46.75 N ATOM 536 CA LYS A 41 42.793 -0.596 32.015 1.00 45.53 C ATOM 537 C LYS A 41 42.528 0.914 32.083 1.00 44.48 C ATOM 538 O LYS A 41 41.827 1.368 32.983 1.00 45.60 O ATOM 539 CB LYS A 41 41.539 -1.369 31.604 1.00 46.35 C ATOM 540 CG LYS A 41 41.004 -0.950 30.249 1.00 45.59 C ATOM 541 CD LYS A 41 39.906 -1.864 29.787 1.00 49.10 C ATOM 542 CE LYS A 41 39.496 -1.480 28.376 1.00 42.48 C ATOM 543 NZ LYS A 41 38.062 -1.757 28.161 1.00 46.88 N ATOM 544 HA LYS A 41 43.555 -0.789 31.260 1.00 0.00 H ATOM 545 HB2 LYS A 41 41.781 -2.431 31.569 1.00 0.00 H ATOM 546 HB3 LYS A 41 40.764 -1.198 32.352 1.00 0.00 H ATOM 547 HG2 LYS A 41 40.614 0.065 30.320 1.00 0.00 H ATOM 548 HG3 LYS A 41 41.817 -0.976 29.523 1.00 0.00 H ATOM 549 HD2 LYS A 41 40.261 -2.894 29.796 1.00 0.00 H ATOM 550 HD3 LYS A 41 39.049 -1.771 30.454 1.00 0.00 H ATOM 551 HE2 LYS A 41 40.084 -2.056 27.662 1.00 0.00 H ATOM 552 HE3 LYS A 41 39.683 -0.417 28.225 1.00 0.00 H ATOM 553 HZ1 LYS A 41 37.881 -2.771 28.302 1.00 0.00 H ATOM 554 HZ2 LYS A 41 37.498 -1.206 28.839 1.00 0.00 H ATOM 555 HZ3 LYS A 41 37.800 -1.488 27.191 1.00 0.00 H ATOM 556 H LYS A 41 42.700 -1.762 33.836 1.00 0.00 H ATOM 557 N PRO A 42 43.108 1.696 31.160 1.00 42.86 N ATOM 558 CA PRO A 42 43.003 3.164 31.277 1.00 42.71 C ATOM 559 C PRO A 42 41.571 3.714 31.223 1.00 43.54 C ATOM 560 O PRO A 42 41.170 4.441 32.132 1.00 44.58 O ATOM 561 CB PRO A 42 43.846 3.687 30.099 1.00 42.02 C ATOM 562 CG PRO A 42 44.727 2.573 29.712 1.00 41.38 C ATOM 563 CD PRO A 42 43.992 1.292 30.052 1.00 42.55 C ATOM 564 HA PRO A 42 43.353 3.494 32.255 1.00 0.00 H ATOM 565 HD3 PRO A 42 43.413 0.935 29.200 1.00 0.00 H ATOM 566 HD2 PRO A 42 44.687 0.514 30.369 1.00 0.00 H ATOM 567 HG3 PRO A 42 45.664 2.626 30.266 1.00 0.00 H ATOM 568 HG2 PRO A 42 44.935 2.613 28.643 1.00 0.00 H ATOM 569 HB2 PRO A 42 43.202 3.969 29.266 1.00 0.00 H ATOM 570 HB3 PRO A 42 44.437 4.549 30.408 1.00 0.00 H ATOM 571 N VAL A 43 40.813 3.382 30.171 1.00 43.71 N ATOM 572 CA VAL A 43 39.424 3.840 30.020 1.00 43.45 C ATOM 573 C VAL A 43 38.511 2.699 29.590 1.00 42.18 C ATOM 574 O VAL A 43 38.942 1.801 28.875 1.00 42.54 O ATOM 575 CB VAL A 43 39.308 4.977 28.979 1.00 43.86 C ATOM 576 CG1 VAL A 43 40.328 6.072 29.260 1.00 47.61 C ATOM 577 CG2 VAL A 43 39.503 4.448 27.565 1.00 47.27 C ATOM 578 HA VAL A 43 39.115 4.212 30.997 1.00 0.00 H ATOM 579 HB VAL A 43 38.305 5.395 29.061 1.00 0.00 H ATOM 580 HG11 VAL A 43 40.152 6.484 30.253 1.00 0.00 H ATOM 581 HG12 VAL A 43 41.333 5.652 29.212 1.00 0.00 H ATOM 582 HG13 VAL A 43 40.227 6.861 28.515 1.00 0.00 H ATOM 583 HG21 VAL A 43 40.492 3.997 27.480 1.00 0.00 H ATOM 584 HG22 VAL A 43 38.741 3.699 27.350 1.00 0.00 H ATOM 585 HG23 VAL A 43 39.416 5.271 26.855 1.00 0.00 H ATOM 586 H VAL A 43 41.223 2.776 29.431 1.00 0.00 H ATOM 587 N ASN A 44 37.246 2.745 30.002 1.00 41.29 N ATOM 588 CA ASN A 44 36.263 1.715 29.639 1.00 40.06 C ATOM 589 C ASN A 44 34.821 2.197 29.775 1.00 40.18 C ATOM 590 O ASN A 44 34.399 2.673 30.837 1.00 39.62 O ATOM 591 CB ASN A 44 36.462 0.476 30.495 1.00 39.73 C ATOM 592 CG ASN A 44 35.633 -0.689 30.030 1.00 39.57 C ATOM 593 OD1 ASN A 44 35.886 -1.230 28.970 1.00 34.57 O ATOM 594 ND2 ASN A 44 34.638 -1.096 30.837 1.00 33.68 N ATOM 595 HA ASN A 44 36.432 1.480 28.588 1.00 0.00 H ATOM 596 HB2 ASN A 44 37.514 0.192 30.459 1.00 0.00 H ATOM 597 HB3 ASN A 44 36.186 0.713 31.522 1.00 0.00 H ATOM 598 HD22 ASN A 44 34.461 -0.601 31.734 1.00 0.00 H ATOM 599 HD21 ASN A 44 34.046 -1.906 30.564 1.00 0.00 H ATOM 600 H ASN A 44 36.943 3.538 30.602 1.00 0.00 H ATOM 601 N THR A 45 34.055 2.055 28.697 1.00 39.18 N ATOM 602 CA THR A 45 32.677 2.497 28.687 1.00 36.52 C ATOM 603 C THR A 45 31.784 1.320 29.012 1.00 36.28 C ATOM 604 O THR A 45 32.011 0.243 28.503 1.00 36.22 O ATOM 605 CB THR A 45 32.314 3.057 27.314 1.00 36.68 C ATOM 606 OG1 THR A 45 33.035 4.266 27.100 1.00 32.17 O ATOM 607 CG2 THR A 45 30.786 3.340 27.212 1.00 39.43 C ATOM 608 HA THR A 45 32.541 3.283 29.430 1.00 0.00 H ATOM 609 HB THR A 45 32.577 2.320 26.555 1.00 0.00 H ATOM 610 HG1 THR A 45 32.794 4.921 27.802 1.00 0.00 H ATOM 611 HG23 THR A 45 30.235 2.414 27.376 1.00 0.00 H ATOM 612 HG21 THR A 45 30.502 4.072 27.968 1.00 0.00 H ATOM 613 HG22 THR A 45 30.556 3.731 26.221 1.00 0.00 H ATOM 614 H THR A 45 34.455 1.617 27.843 1.00 0.00 H ATOM 615 N PHE A 46 30.781 1.522 29.862 1.00 35.96 N ATOM 616 CA PHE A 46 29.746 0.517 30.068 1.00 37.12 C ATOM 617 C PHE A 46 28.426 1.065 29.521 1.00 39.21 C ATOM 618 O PHE A 46 28.156 2.284 29.590 1.00 38.26 O ATOM 619 CB PHE A 46 29.547 0.184 31.549 1.00 36.69 C ATOM 620 CG PHE A 46 30.663 -0.625 32.169 1.00 37.98 C ATOM 621 CD1 PHE A 46 30.675 -2.029 32.064 1.00 31.68 C ATOM 622 CD2 PHE A 46 31.679 0.012 32.898 1.00 29.28 C ATOM 623 CE1 PHE A 46 31.686 -2.788 32.657 1.00 39.30 C ATOM 624 CE2 PHE A 46 32.696 -0.737 33.501 1.00 35.05 C ATOM 625 CZ PHE A 46 32.703 -2.142 33.389 1.00 36.34 C ATOM 626 HA PHE A 46 30.056 -0.393 29.554 1.00 0.00 H ATOM 627 HB2 PHE A 46 29.460 1.121 32.099 1.00 0.00 H ATOM 628 HB3 PHE A 46 28.621 -0.382 31.649 1.00 0.00 H ATOM 629 HD2 PHE A 46 31.676 1.098 32.995 1.00 0.00 H ATOM 630 HE2 PHE A 46 33.485 -0.232 34.059 1.00 0.00 H ATOM 631 HZ PHE A 46 33.490 -2.726 33.866 1.00 0.00 H ATOM 632 HE1 PHE A 46 31.689 -3.873 32.555 1.00 0.00 H ATOM 633 HD1 PHE A 46 29.882 -2.532 31.511 1.00 0.00 H ATOM 634 H PHE A 46 30.734 2.416 30.391 1.00 0.00 H ATOM 635 N VAL A 47 27.598 0.159 29.005 1.00 39.64 N ATOM 636 CA VAL A 47 26.337 0.537 28.376 1.00 40.62 C ATOM 637 C VAL A 47 25.153 -0.044 29.181 1.00 40.94 C ATOM 638 O VAL A 47 25.112 -1.260 29.436 1.00 41.53 O ATOM 639 CB VAL A 47 26.331 0.051 26.899 1.00 41.64 C ATOM 640 CG1 VAL A 47 25.065 0.482 26.181 1.00 40.14 C ATOM 641 CG2 VAL A 47 27.598 0.559 26.178 1.00 34.96 C ATOM 642 HA VAL A 47 26.229 1.622 28.373 1.00 0.00 H ATOM 643 HB VAL A 47 26.342 -1.039 26.887 1.00 0.00 H ATOM 644 HG11 VAL A 47 24.199 0.059 26.689 1.00 0.00 H ATOM 645 HG12 VAL A 47 24.997 1.570 26.189 1.00 0.00 H ATOM 646 HG13 VAL A 47 25.094 0.126 25.151 1.00 0.00 H ATOM 647 HG21 VAL A 47 27.615 1.649 26.200 1.00 0.00 H ATOM 648 HG22 VAL A 47 28.482 0.170 26.683 1.00 0.00 H ATOM 649 HG23 VAL A 47 27.588 0.215 25.144 1.00 0.00 H ATOM 650 H VAL A 47 27.858 -0.847 29.052 1.00 0.00 H ATOM 651 N HIS A 48 24.226 0.821 29.610 1.00 40.25 N ATOM 652 CA HIS A 48 23.082 0.395 30.456 1.00 39.68 C ATOM 653 C HIS A 48 21.836 0.251 29.610 1.00 39.35 C ATOM 654 O HIS A 48 21.030 1.166 29.573 1.00 38.92 O ATOM 655 CB HIS A 48 22.777 1.429 31.550 1.00 40.12 C ATOM 656 CG HIS A 48 23.969 1.843 32.355 1.00 40.88 C ATOM 657 ND1 HIS A 48 24.490 1.061 33.360 1.00 39.96 N ATOM 658 CD2 HIS A 48 24.750 2.947 32.291 1.00 40.87 C ATOM 659 CE1 HIS A 48 25.532 1.672 33.893 1.00 44.20 C ATOM 660 NE2 HIS A 48 25.708 2.822 33.267 1.00 42.93 N ATOM 661 HA HIS A 48 23.359 -0.555 30.913 1.00 0.00 H ATOM 662 HB2 HIS A 48 22.361 2.317 31.074 1.00 0.00 H ATOM 663 HB3 HIS A 48 22.038 1.001 32.228 1.00 0.00 H ATOM 664 HD2 HIS A 48 24.639 3.779 31.595 1.00 0.00 H ATOM 665 HE1 HIS A 48 26.144 1.292 34.711 1.00 0.00 H ATOM 666 H HIS A 48 24.309 1.823 29.343 1.00 0.00 H ATOM 667 N GLU A 49 21.706 -0.864 28.890 1.00 39.45 N ATOM 668 CA GLU A 49 20.581 -1.089 27.982 1.00 40.20 C ATOM 669 C GLU A 49 20.460 -2.581 27.808 1.00 40.94 C ATOM 670 O GLU A 49 21.410 -3.306 28.058 1.00 43.22 O ATOM 671 CB GLU A 49 20.812 -0.440 26.608 1.00 39.37 C ATOM 672 CG GLU A 49 21.107 1.079 26.594 1.00 42.78 C ATOM 673 CD GLU A 49 19.875 1.968 26.848 1.00 41.96 C ATOM 674 OE1 GLU A 49 18.742 1.434 26.896 1.00 42.55 O ATOM 675 OE2 GLU A 49 20.049 3.204 26.990 1.00 43.72 O ATOM 676 HA GLU A 49 19.678 -0.644 28.400 1.00 0.00 H ATOM 677 HB2 GLU A 49 21.659 -0.945 26.143 1.00 0.00 H ATOM 678 HB3 GLU A 49 19.917 -0.608 26.009 1.00 0.00 H ATOM 679 HG2 GLU A 49 21.846 1.290 27.367 1.00 0.00 H ATOM 680 HG3 GLU A 49 21.519 1.338 25.619 1.00 0.00 H ATOM 681 H GLU A 49 22.433 -1.603 28.977 1.00 0.00 H ATOM 682 N SER A 50 19.304 -3.058 27.379 1.00 40.94 N ATOM 683 CA SER A 50 19.147 -4.486 27.139 1.00 41.35 C ATOM 684 C SER A 50 20.268 -4.982 26.198 1.00 40.98 C ATOM 685 O SER A 50 20.779 -4.226 25.369 1.00 40.29 O ATOM 686 CB SER A 50 17.765 -4.759 26.541 1.00 41.46 C ATOM 687 OG SER A 50 17.370 -3.708 25.640 1.00 45.31 O ATOM 688 HA SER A 50 19.226 -5.029 28.081 1.00 0.00 H ATOM 689 HB2 SER A 50 17.036 -4.829 27.348 1.00 0.00 H ATOM 690 HB3 SER A 50 17.793 -5.703 25.996 1.00 0.00 H ATOM 691 HG SER A 50 16.475 -3.911 25.270 1.00 0.00 H ATOM 692 H SER A 50 18.506 -2.413 27.213 1.00 0.00 H ATOM 693 N LEU A 51 20.662 -6.242 26.347 1.00 40.23 N ATOM 694 CA LEU A 51 21.616 -6.833 25.436 1.00 39.91 C ATOM 695 C LEU A 51 21.002 -6.882 24.044 1.00 40.64 C ATOM 696 O LEU A 51 21.730 -6.883 23.047 1.00 39.75 O ATOM 697 CB LEU A 51 22.018 -8.227 25.893 1.00 39.04 C ATOM 698 CG LEU A 51 22.808 -8.994 24.826 1.00 40.52 C ATOM 699 CD1 LEU A 51 24.225 -8.436 24.692 1.00 41.19 C ATOM 700 CD2 LEU A 51 22.828 -10.489 25.063 1.00 35.34 C ATOM 701 HA LEU A 51 22.519 -6.223 25.418 1.00 0.00 H ATOM 702 HB2 LEU A 51 22.635 -8.137 26.787 1.00 0.00 H ATOM 703 HB3 LEU A 51 21.116 -8.790 26.131 1.00 0.00 H ATOM 704 HG LEU A 51 22.284 -8.843 23.882 1.00 0.00 H ATOM 705 HD21 LEU A 51 23.289 -10.696 26.029 1.00 0.00 H ATOM 706 HD22 LEU A 51 21.807 -10.870 25.057 1.00 0.00 H ATOM 707 HD23 LEU A 51 23.403 -10.973 24.273 1.00 0.00 H ATOM 708 HD11 LEU A 51 24.175 -7.386 24.405 1.00 0.00 H ATOM 709 HD12 LEU A 51 24.742 -8.529 25.647 1.00 0.00 H ATOM 710 HD13 LEU A 51 24.764 -8.997 23.929 1.00 0.00 H ATOM 711 H LEU A 51 20.279 -6.810 27.129 1.00 0.00 H ATOM 712 N ALA A 52 19.662 -6.908 23.981 1.00 40.41 N ATOM 713 CA ALA A 52 18.949 -6.914 22.695 1.00 39.58 C ATOM 714 C ALA A 52 18.985 -5.554 22.022 1.00 38.92 C ATOM 715 O ALA A 52 19.046 -5.492 20.796 1.00 39.20 O ATOM 716 CB ALA A 52 17.501 -7.388 22.848 1.00 39.67 C ATOM 717 HA ALA A 52 19.474 -7.624 22.056 1.00 0.00 H ATOM 718 HB1 ALA A 52 17.492 -8.402 23.249 1.00 0.00 H ATOM 719 HB2 ALA A 52 16.972 -6.722 23.530 1.00 0.00 H ATOM 720 HB3 ALA A 52 17.012 -7.377 21.874 1.00 0.00 H ATOM 721 H ALA A 52 19.114 -6.924 24.864 1.00 0.00 H ATOM 722 N ASP A 53 18.930 -4.479 22.803 1.00 37.86 N ATOM 723 CA ASP A 53 18.985 -3.140 22.223 1.00 39.10 C ATOM 724 C ASP A 53 20.367 -2.825 21.645 1.00 38.74 C ATOM 725 O ASP A 53 20.480 -2.195 20.592 1.00 38.98 O ATOM 726 CB ASP A 53 18.568 -2.059 23.233 1.00 39.55 C ATOM 727 CG ASP A 53 17.074 -2.030 23.473 1.00 44.29 C ATOM 728 OD1 ASP A 53 16.382 -2.916 22.946 1.00 49.82 O ATOM 729 OD2 ASP A 53 16.588 -1.133 24.194 1.00 48.95 O ATOM 730 HA ASP A 53 18.266 -3.130 21.404 1.00 0.00 H ATOM 731 HB2 ASP A 53 19.070 -2.254 24.181 1.00 0.00 H ATOM 732 HB3 ASP A 53 18.879 -1.086 22.852 1.00 0.00 H ATOM 733 H ASP A 53 18.847 -4.593 23.833 1.00 0.00 H ATOM 734 N VAL A 54 21.407 -3.252 22.352 1.00 37.79 N ATOM 735 CA VAL A 54 22.761 -3.093 21.876 1.00 36.86 C ATOM 736 C VAL A 54 23.089 -4.007 20.672 1.00 35.57 C ATOM 737 O VAL A 54 23.751 -3.570 19.734 1.00 36.32 O ATOM 738 CB VAL A 54 23.786 -3.255 23.019 1.00 36.89 C ATOM 739 CG1 VAL A 54 25.207 -3.058 22.483 1.00 37.29 C ATOM 740 CG2 VAL A 54 23.503 -2.228 24.102 1.00 35.27 C ATOM 741 HA VAL A 54 22.839 -2.071 21.506 1.00 0.00 H ATOM 742 HB VAL A 54 23.700 -4.259 23.435 1.00 0.00 H ATOM 743 HG11 VAL A 54 25.409 -3.801 21.712 1.00 0.00 H ATOM 744 HG12 VAL A 54 25.298 -2.058 22.059 1.00 0.00 H ATOM 745 HG13 VAL A 54 25.921 -3.175 23.298 1.00 0.00 H ATOM 746 HG21 VAL A 54 23.583 -1.226 23.681 1.00 0.00 H ATOM 747 HG22 VAL A 54 22.496 -2.380 24.491 1.00 0.00 H ATOM 748 HG23 VAL A 54 24.227 -2.343 24.908 1.00 0.00 H ATOM 749 H VAL A 54 21.242 -3.712 23.270 1.00 0.00 H ATOM 750 N GLN A 55 22.639 -5.256 20.691 1.00 33.66 N ATOM 751 CA GLN A 55 22.807 -6.147 19.521 1.00 32.27 C ATOM 752 C GLN A 55 22.100 -5.628 18.274 1.00 30.31 C ATOM 753 O GLN A 55 22.652 -5.671 17.189 1.00 32.63 O ATOM 754 CB GLN A 55 22.367 -7.563 19.838 1.00 33.05 C ATOM 755 CG GLN A 55 23.370 -8.329 20.728 1.00 36.04 C ATOM 756 CD GLN A 55 22.925 -9.772 21.035 1.00 41.32 C ATOM 757 OE1 GLN A 55 21.752 -10.111 20.899 1.00 45.28 O ATOM 758 NE2 GLN A 55 23.873 -10.619 21.449 1.00 46.26 N ATOM 759 HA GLN A 55 23.874 -6.157 19.298 1.00 0.00 H ATOM 760 HB2 GLN A 55 21.408 -7.520 20.354 1.00 0.00 H ATOM 761 HB3 GLN A 55 22.250 -8.107 18.901 1.00 0.00 H ATOM 762 HG2 GLN A 55 24.332 -8.364 20.217 1.00 0.00 H ATOM 763 HG3 GLN A 55 23.480 -7.791 21.670 1.00 0.00 H ATOM 764 HE22 GLN A 55 24.855 -10.291 21.551 1.00 0.00 H ATOM 765 HE21 GLN A 55 23.629 -11.606 21.669 1.00 0.00 H ATOM 766 H GLN A 55 22.161 -5.614 21.542 1.00 0.00 H ATOM 767 N ALA A 56 20.919 -5.064 18.440 1.00 27.93 N ATOM 768 CA ALA A 56 20.189 -4.443 17.329 1.00 27.21 C ATOM 769 C ALA A 56 20.998 -3.324 16.666 1.00 26.36 C ATOM 770 O ALA A 56 20.663 -2.917 15.565 1.00 24.95 O ATOM 771 CB ALA A 56 18.810 -3.868 17.794 1.00 25.09 C ATOM 772 HA ALA A 56 20.020 -5.235 16.600 1.00 0.00 H ATOM 773 HB1 ALA A 56 18.199 -4.675 18.199 1.00 0.00 H ATOM 774 HB2 ALA A 56 18.973 -3.113 18.563 1.00 0.00 H ATOM 775 HB3 ALA A 56 18.300 -3.417 16.943 1.00 0.00 H ATOM 776 H ALA A 56 20.492 -5.059 19.388 1.00 0.00 H ATOM 777 N VAL A 57 22.022 -2.809 17.352 1.00 24.18 N ATOM 778 CA VAL A 57 22.825 -1.747 16.757 1.00 23.81 C ATOM 779 C VAL A 57 23.608 -2.242 15.488 1.00 23.09 C ATOM 780 O VAL A 57 23.935 -1.466 14.630 1.00 22.03 O ATOM 781 CB VAL A 57 23.685 -1.012 17.831 1.00 23.89 C ATOM 782 CG1 VAL A 57 24.614 -0.055 17.212 1.00 21.88 C ATOM 783 CG2 VAL A 57 22.761 -0.276 18.903 1.00 20.20 C ATOM 784 HA VAL A 57 22.155 -0.979 16.369 1.00 0.00 H ATOM 785 HB VAL A 57 24.274 -1.769 18.348 1.00 0.00 H ATOM 786 HG11 VAL A 57 25.284 -0.586 16.536 1.00 0.00 H ATOM 787 HG12 VAL A 57 24.047 0.690 16.653 1.00 0.00 H ATOM 788 HG13 VAL A 57 25.197 0.439 17.990 1.00 0.00 H ATOM 789 HG21 VAL A 57 22.133 0.457 18.397 1.00 0.00 H ATOM 790 HG22 VAL A 57 22.131 -1.011 19.404 1.00 0.00 H ATOM 791 HG23 VAL A 57 23.389 0.227 19.638 1.00 0.00 H ATOM 792 H VAL A 57 22.245 -3.163 18.304 1.00 0.00 H ATOM 793 N CYS A 58 23.797 -3.547 15.346 1.00 23.49 N ATOM 794 CA CYS A 58 24.490 -4.122 14.182 1.00 24.88 C ATOM 795 C CYS A 58 23.694 -4.032 12.862 1.00 27.63 C ATOM 796 O CYS A 58 24.156 -4.509 11.814 1.00 27.36 O ATOM 797 CB CYS A 58 24.904 -5.576 14.473 1.00 24.22 C ATOM 798 SG CYS A 58 25.996 -5.720 15.904 1.00 20.82 S ATOM 799 HA CYS A 58 25.378 -3.509 14.027 1.00 0.00 H ATOM 800 HB2 CYS A 58 25.421 -5.973 13.599 1.00 0.00 H ATOM 801 HB3 CYS A 58 24.005 -6.164 14.660 1.00 0.00 H ATOM 802 H CYS A 58 23.442 -4.188 16.085 1.00 0.00 H ATOM 803 N SER A 59 22.508 -3.411 12.893 1.00 28.58 N ATOM 804 CA SER A 59 21.838 -3.126 11.629 1.00 28.39 C ATOM 805 C SER A 59 21.225 -1.761 11.676 1.00 27.01 C ATOM 806 O SER A 59 20.212 -1.489 11.019 1.00 27.79 O ATOM 807 CB SER A 59 20.813 -4.181 11.294 1.00 29.04 C ATOM 808 OG SER A 59 19.890 -4.210 12.335 1.00 33.68 O ATOM 809 HA SER A 59 22.581 -3.146 10.832 1.00 0.00 H ATOM 810 HB2 SER A 59 21.296 -5.153 11.197 1.00 0.00 H ATOM 811 HB3 SER A 59 20.312 -3.931 10.359 1.00 0.00 H ATOM 812 HG SER A 59 19.460 -3.322 12.418 1.00 0.00 H ATOM 813 H SER A 59 22.074 -3.138 13.798 1.00 0.00 H ATOM 814 N GLN A 60 21.863 -0.890 12.441 1.00 25.16 N ATOM 815 CA GLN A 60 21.509 0.527 12.404 1.00 25.03 C ATOM 816 C GLN A 60 22.491 1.330 11.504 1.00 25.99 C ATOM 817 O GLN A 60 22.898 0.805 10.474 1.00 24.70 O ATOM 818 CB GLN A 60 21.322 1.044 13.829 1.00 23.84 C ATOM 819 CG GLN A 60 20.129 0.285 14.511 1.00 22.29 C ATOM 820 CD GLN A 60 19.859 0.769 15.923 1.00 24.01 C ATOM 821 OE1 GLN A 60 20.389 1.799 16.356 1.00 31.32 O ATOM 822 NE2 GLN A 60 19.067 0.041 16.645 1.00 20.37 N ATOM 823 HA GLN A 60 20.545 0.675 11.917 1.00 0.00 H ATOM 824 HB2 GLN A 60 22.235 0.874 14.400 1.00 0.00 H ATOM 825 HB3 GLN A 60 21.105 2.112 13.803 1.00 0.00 H ATOM 826 HG2 GLN A 60 19.231 0.436 13.912 1.00 0.00 H ATOM 827 HG3 GLN A 60 20.366 -0.778 14.546 1.00 0.00 H ATOM 828 HE22 GLN A 60 18.641 -0.819 16.244 1.00 0.00 H ATOM 829 HE21 GLN A 60 18.857 0.316 17.626 1.00 0.00 H ATOM 830 H GLN A 60 22.622 -1.216 13.073 1.00 0.00 H ATOM 831 N LYS A 61 22.873 2.566 11.860 1.00 26.67 N ATOM 832 CA LYS A 61 23.588 3.412 10.884 1.00 26.65 C ATOM 833 C LYS A 61 25.047 2.948 10.625 1.00 26.72 C ATOM 834 O LYS A 61 25.903 3.077 11.486 1.00 26.86 O ATOM 835 CB LYS A 61 23.582 4.871 11.337 1.00 25.38 C ATOM 836 CG LYS A 61 24.271 5.801 10.345 1.00 25.96 C ATOM 837 CD LYS A 61 24.182 7.273 10.767 1.00 39.29 C ATOM 838 CE LYS A 61 24.927 8.184 9.777 1.00 47.69 C ATOM 839 NZ LYS A 61 24.477 8.047 8.337 1.00 51.48 N ATOM 840 HA LYS A 61 23.050 3.313 9.941 1.00 0.00 H ATOM 841 HB2 LYS A 61 22.548 5.194 11.457 1.00 0.00 H ATOM 842 HB3 LYS A 61 24.097 4.940 12.295 1.00 0.00 H ATOM 843 HG2 LYS A 61 25.322 5.520 10.272 1.00 0.00 H ATOM 844 HG3 LYS A 61 23.797 5.687 9.370 1.00 0.00 H ATOM 845 HD2 LYS A 61 23.134 7.570 10.803 1.00 0.00 H ATOM 846 HD3 LYS A 61 24.625 7.386 11.757 1.00 0.00 H ATOM 847 HE2 LYS A 61 25.989 7.944 9.826 1.00 0.00 H ATOM 848 HE3 LYS A 61 24.775 9.218 10.085 1.00 0.00 H ATOM 849 HZ1 LYS A 61 24.627 7.068 8.020 1.00 0.00 H ATOM 850 HZ2 LYS A 61 23.467 8.285 8.267 1.00 0.00 H ATOM 851 HZ3 LYS A 61 25.029 8.695 7.739 1.00 0.00 H ATOM 852 H LYS A 61 22.667 2.925 12.814 1.00 0.00 H ATOM 853 N ASN A 62 25.314 2.386 9.468 1.00 27.24 N ATOM 854 CA ASN A 62 26.679 1.972 9.109 1.00 29.23 C ATOM 855 C ASN A 62 27.586 3.211 8.922 1.00 29.17 C ATOM 856 O ASN A 62 27.226 4.186 8.250 1.00 31.37 O ATOM 857 CB ASN A 62 26.645 1.088 7.857 1.00 29.10 C ATOM 858 CG ASN A 62 28.021 0.500 7.493 1.00 32.83 C ATOM 859 OD1 ASN A 62 28.391 0.514 6.326 1.00 35.05 O ATOM 860 ND2 ASN A 62 28.776 -0.010 8.489 1.00 31.88 N ATOM 861 HA ASN A 62 27.104 1.381 9.920 1.00 0.00 H ATOM 862 HB2 ASN A 62 25.952 0.265 8.032 1.00 0.00 H ATOM 863 HB3 ASN A 62 26.291 1.688 7.018 1.00 0.00 H ATOM 864 HD22 ASN A 62 28.422 -0.001 9.467 1.00 0.00 H ATOM 865 HD21 ASN A 62 29.712 -0.412 8.279 1.00 0.00 H ATOM 866 H ASN A 62 24.541 2.230 8.789 1.00 0.00 H ATOM 867 N VAL A 63 28.714 3.207 9.603 1.00 26.54 N ATOM 868 CA VAL A 63 29.648 4.316 9.592 1.00 25.35 C ATOM 869 C VAL A 63 31.068 3.699 9.488 1.00 27.69 C ATOM 870 O VAL A 63 31.247 2.478 9.649 1.00 30.10 O ATOM 871 CB VAL A 63 29.586 5.163 10.905 1.00 25.89 C ATOM 872 CG1 VAL A 63 28.271 5.949 11.075 1.00 20.15 C ATOM 873 CG2 VAL A 63 29.825 4.295 12.095 1.00 21.38 C ATOM 874 HA VAL A 63 29.402 4.977 8.761 1.00 0.00 H ATOM 875 HB VAL A 63 30.378 5.907 10.822 1.00 0.00 H ATOM 876 HG11 VAL A 63 28.150 6.637 10.239 1.00 0.00 H ATOM 877 HG12 VAL A 63 27.433 5.252 11.098 1.00 0.00 H ATOM 878 HG13 VAL A 63 28.303 6.511 12.008 1.00 0.00 H ATOM 879 HG21 VAL A 63 29.061 3.519 12.136 1.00 0.00 H ATOM 880 HG22 VAL A 63 30.810 3.834 12.015 1.00 0.00 H ATOM 881 HG23 VAL A 63 29.778 4.901 13.000 1.00 0.00 H ATOM 882 H VAL A 63 28.945 2.370 10.175 1.00 0.00 H ATOM 883 N ALA A 64 32.079 4.534 9.246 1.00 27.98 N ATOM 884 CA ALA A 64 33.473 4.077 9.147 1.00 25.20 C ATOM 885 C ALA A 64 34.084 3.868 10.567 1.00 25.22 C ATOM 886 O ALA A 64 33.938 4.703 11.458 1.00 23.85 O ATOM 887 CB ALA A 64 34.282 5.084 8.298 1.00 21.75 C ATOM 888 HA ALA A 64 33.512 3.109 8.647 1.00 0.00 H ATOM 889 HB1 ALA A 64 33.847 5.148 7.301 1.00 0.00 H ATOM 890 HB2 ALA A 64 34.252 6.065 8.773 1.00 0.00 H ATOM 891 HB3 ALA A 64 35.316 4.747 8.224 1.00 0.00 H ATOM 892 H ALA A 64 31.874 5.546 9.123 1.00 0.00 H ATOM 893 N CYS A 65 34.726 2.725 10.787 1.00 25.70 N ATOM 894 CA CYS A 65 35.418 2.445 12.049 1.00 25.57 C ATOM 895 C CYS A 65 36.675 3.309 12.156 1.00 27.21 C ATOM 896 O CYS A 65 37.200 3.750 11.144 1.00 27.37 O ATOM 897 CB CYS A 65 35.861 0.997 12.053 1.00 24.98 C ATOM 898 SG CYS A 65 34.545 -0.217 12.022 1.00 27.98 S ATOM 899 HA CYS A 65 34.742 2.656 12.878 1.00 0.00 H ATOM 900 HB2 CYS A 65 36.451 0.829 12.954 1.00 0.00 H ATOM 901 HB3 CYS A 65 36.487 0.835 11.175 1.00 0.00 H ATOM 902 H CYS A 65 34.738 2.004 10.038 1.00 0.00 H ATOM 903 N LYS A 66 37.186 3.523 13.366 1.00 27.56 N ATOM 904 CA LYS A 66 38.412 4.295 13.542 1.00 28.01 C ATOM 905 C LYS A 66 39.625 3.601 12.916 1.00 28.52 C ATOM 906 O LYS A 66 40.590 4.258 12.532 1.00 27.86 O ATOM 907 CB LYS A 66 38.675 4.565 15.028 1.00 28.93 C ATOM 908 CG LYS A 66 37.734 5.561 15.687 1.00 34.11 C ATOM 909 CD LYS A 66 37.774 5.380 17.193 1.00 45.16 C ATOM 910 CE LYS A 66 37.209 6.604 17.889 1.00 51.23 C ATOM 911 NZ LYS A 66 38.275 7.458 18.508 1.00 55.94 N ATOM 912 HA LYS A 66 38.267 5.243 13.024 1.00 0.00 H ATOM 913 HB2 LYS A 66 38.591 3.618 15.562 1.00 0.00 H ATOM 914 HB3 LYS A 66 39.691 4.947 15.126 1.00 0.00 H ATOM 915 HG2 LYS A 66 38.044 6.575 15.435 1.00 0.00 H ATOM 916 HG3 LYS A 66 36.719 5.393 15.328 1.00 0.00 H ATOM 917 HD2 LYS A 66 37.182 4.506 17.466 1.00 0.00 H ATOM 918 HD3 LYS A 66 38.806 5.231 17.510 1.00 0.00 H ATOM 919 HE2 LYS A 66 36.525 6.276 18.672 1.00 0.00 H ATOM 920 HE3 LYS A 66 36.663 7.201 17.158 1.00 0.00 H ATOM 921 HZ1 LYS A 66 38.797 6.901 19.214 1.00 0.00 H ATOM 922 HZ2 LYS A 66 38.929 7.784 17.768 1.00 0.00 H ATOM 923 HZ3 LYS A 66 37.835 8.279 18.970 1.00 0.00 H ATOM 924 H LYS A 66 36.703 3.133 14.201 1.00 0.00 H ATOM 925 N ASN A 67 39.574 2.278 12.791 1.00 29.14 N ATOM 926 CA ASN A 67 40.691 1.536 12.187 1.00 29.65 C ATOM 927 C ASN A 67 40.545 1.312 10.674 1.00 29.37 C ATOM 928 O ASN A 67 41.322 0.591 10.070 1.00 29.68 O ATOM 929 CB ASN A 67 40.869 0.187 12.891 1.00 29.21 C ATOM 930 CG ASN A 67 39.875 -0.856 12.395 1.00 32.13 C ATOM 931 OD1 ASN A 67 38.835 -0.511 11.847 1.00 30.17 O ATOM 932 ND2 ASN A 67 40.215 -2.137 12.550 1.00 34.36 N ATOM 933 HA ASN A 67 41.574 2.160 12.324 1.00 0.00 H ATOM 934 HB2 ASN A 67 41.880 -0.175 12.706 1.00 0.00 H ATOM 935 HB3 ASN A 67 40.725 0.328 13.962 1.00 0.00 H ATOM 936 HD22 ASN A 67 41.108 -2.385 13.022 1.00 0.00 H ATOM 937 HD21 ASN A 67 39.587 -2.888 12.199 1.00 0.00 H ATOM 938 H ASN A 67 38.735 1.762 13.124 1.00 0.00 H ATOM 939 N GLY A 68 39.510 1.862 10.064 1.00 28.99 N ATOM 940 CA GLY A 68 39.413 1.806 8.608 1.00 27.63 C ATOM 941 C GLY A 68 38.458 0.799 8.014 1.00 28.48 C ATOM 942 O GLY A 68 38.089 0.903 6.825 1.00 29.09 O ATOM 943 HA3 GLY A 68 40.407 1.581 8.222 1.00 0.00 H ATOM 944 HA2 GLY A 68 39.105 2.793 8.262 1.00 0.00 H ATOM 945 H GLY A 68 38.767 2.333 10.619 1.00 0.00 H ATOM 946 N GLN A 69 38.021 -0.159 8.832 1.00 29.30 N ATOM 947 CA GLN A 69 37.099 -1.200 8.379 1.00 29.64 C ATOM 948 C GLN A 69 35.751 -0.572 8.297 1.00 28.68 C ATOM 949 O GLN A 69 35.545 0.487 8.858 1.00 28.67 O ATOM 950 CB GLN A 69 37.060 -2.356 9.385 1.00 30.73 C ATOM 951 CG GLN A 69 38.234 -3.332 9.297 1.00 33.48 C ATOM 952 CD GLN A 69 38.067 -4.524 10.273 1.00 40.39 C ATOM 953 OE1 GLN A 69 38.696 -4.579 11.341 1.00 37.12 O ATOM 954 NE2 GLN A 69 37.203 -5.462 9.910 1.00 44.10 N ATOM 955 HA GLN A 69 37.416 -1.601 7.416 1.00 0.00 H ATOM 956 HB2 GLN A 69 37.049 -1.931 10.388 1.00 0.00 H ATOM 957 HB3 GLN A 69 36.141 -2.917 9.219 1.00 0.00 H ATOM 958 HG2 GLN A 69 38.298 -3.716 8.279 1.00 0.00 H ATOM 959 HG3 GLN A 69 39.154 -2.801 9.543 1.00 0.00 H ATOM 960 HE22 GLN A 69 36.695 -5.380 9.006 1.00 0.00 H ATOM 961 HE21 GLN A 69 37.033 -6.280 10.529 1.00 0.00 H ATOM 962 H GLN A 69 38.345 -0.166 9.820 1.00 0.00 H ATOM 963 N THR A 70 34.835 -1.218 7.587 1.00 30.47 N ATOM 964 CA THR A 70 33.455 -0.727 7.434 1.00 31.32 C ATOM 965 C THR A 70 32.391 -1.561 8.199 1.00 30.04 C ATOM 966 O THR A 70 31.222 -1.520 7.843 1.00 30.67 O ATOM 967 CB THR A 70 33.044 -0.722 5.976 1.00 32.02 C ATOM 968 OG1 THR A 70 33.026 -2.074 5.516 1.00 37.25 O ATOM 969 CG2 THR A 70 34.017 0.063 5.147 1.00 32.95 C ATOM 970 HA THR A 70 33.477 0.277 7.858 1.00 0.00 H ATOM 971 HB THR A 70 32.061 -0.260 5.881 1.00 0.00 H ATOM 972 HG1 THR A 70 32.377 -2.595 6.052 1.00 0.00 H ATOM 973 HG23 THR A 70 34.036 1.097 5.493 1.00 0.00 H ATOM 974 HG21 THR A 70 35.011 -0.373 5.246 1.00 0.00 H ATOM 975 HG22 THR A 70 33.708 0.034 4.102 1.00 0.00 H ATOM 976 H THR A 70 35.103 -2.108 7.119 1.00 0.00 H ATOM 977 N ASN A 71 32.784 -2.297 9.241 1.00 27.55 N ATOM 978 CA ASN A 71 31.812 -3.087 9.998 1.00 25.95 C ATOM 979 C ASN A 71 31.366 -2.398 11.309 1.00 24.92 C ATOM 980 O ASN A 71 31.061 -3.035 12.286 1.00 26.52 O ATOM 981 CB ASN A 71 32.371 -4.498 10.254 1.00 24.08 C ATOM 982 CG ASN A 71 33.537 -4.484 11.191 1.00 24.03 C ATOM 983 OD1 ASN A 71 34.363 -3.557 11.152 1.00 21.21 O ATOM 984 ND2 ASN A 71 33.606 -5.482 12.073 1.00 16.94 N ATOM 985 HA ASN A 71 30.910 -3.171 9.392 1.00 0.00 H ATOM 986 HB2 ASN A 71 31.582 -5.115 10.684 1.00 0.00 H ATOM 987 HB3 ASN A 71 32.689 -4.927 9.304 1.00 0.00 H ATOM 988 HD22 ASN A 71 32.888 -6.235 12.064 1.00 0.00 H ATOM 989 HD21 ASN A 71 34.377 -5.507 12.770 1.00 0.00 H ATOM 990 H ASN A 71 33.787 -2.309 9.517 1.00 0.00 H ATOM 991 N CYS A 72 31.347 -1.079 11.303 1.00 24.91 N ATOM 992 CA CYS A 72 30.901 -0.277 12.425 1.00 23.48 C ATOM 993 C CYS A 72 29.486 0.270 12.158 1.00 22.65 C ATOM 994 O CYS A 72 29.056 0.394 10.992 1.00 22.71 O ATOM 995 CB CYS A 72 31.900 0.842 12.707 1.00 22.41 C ATOM 996 SG CYS A 72 33.387 0.247 13.535 1.00 26.62 S ATOM 997 HA CYS A 72 30.850 -0.902 13.316 1.00 0.00 H ATOM 998 HB2 CYS A 72 31.421 1.587 13.342 1.00 0.00 H ATOM 999 HB3 CYS A 72 32.186 1.302 11.761 1.00 0.00 H ATOM 1000 H CYS A 72 31.670 -0.587 10.445 1.00 0.00 H ATOM 1001 N TYR A 73 28.745 0.515 13.238 1.00 21.26 N ATOM 1002 CA TYR A 73 27.321 0.929 13.168 1.00 19.87 C ATOM 1003 C TYR A 73 27.085 1.851 14.325 1.00 21.71 C ATOM 1004 O TYR A 73 27.497 1.570 15.462 1.00 21.43 O ATOM 1005 CB TYR A 73 26.385 -0.294 13.266 1.00 17.69 C ATOM 1006 CG TYR A 73 26.725 -1.314 12.185 1.00 15.37 C ATOM 1007 CD1 TYR A 73 27.778 -2.214 12.350 1.00 9.56 C ATOM 1008 CD2 TYR A 73 26.055 -1.305 10.967 1.00 16.24 C ATOM 1009 CE1 TYR A 73 28.122 -3.093 11.351 1.00 15.02 C ATOM 1010 CE2 TYR A 73 26.423 -2.153 9.943 1.00 14.25 C ATOM 1011 CZ TYR A 73 27.436 -3.058 10.144 1.00 21.87 C ATOM 1012 OH TYR A 73 27.761 -3.937 9.115 1.00 30.44 O ATOM 1013 HA TYR A 73 27.111 1.420 12.218 1.00 0.00 H ATOM 1014 HB3 TYR A 73 25.353 0.033 13.140 1.00 0.00 H ATOM 1015 HB2 TYR A 73 26.501 -0.757 14.246 1.00 0.00 H ATOM 1016 HD2 TYR A 73 25.224 -0.616 10.818 1.00 0.00 H ATOM 1017 HE2 TYR A 73 25.913 -2.105 8.981 1.00 0.00 H ATOM 1018 HE1 TYR A 73 28.927 -3.812 11.505 1.00 0.00 H ATOM 1019 HD1 TYR A 73 28.337 -2.220 13.286 1.00 0.00 H ATOM 1020 HH TYR A 73 28.504 -4.523 9.406 1.00 0.00 H ATOM 1021 H TYR A 73 29.185 0.411 14.175 1.00 0.00 H ATOM 1022 N GLN A 74 26.458 2.973 14.032 1.00 23.39 N ATOM 1023 CA GLN A 74 26.049 3.902 15.061 1.00 25.65 C ATOM 1024 C GLN A 74 24.559 3.739 15.379 1.00 26.44 C ATOM 1025 O GLN A 74 23.746 3.579 14.471 1.00 29.50 O ATOM 1026 CB GLN A 74 26.315 5.311 14.572 1.00 24.63 C ATOM 1027 CG GLN A 74 26.003 6.374 15.613 1.00 31.00 C ATOM 1028 CD GLN A 74 26.004 7.754 15.012 1.00 33.81 C ATOM 1029 OE1 GLN A 74 26.978 8.173 14.410 1.00 38.66 O ATOM 1030 NE2 GLN A 74 24.896 8.460 15.160 1.00 43.19 N ATOM 1031 HA GLN A 74 26.615 3.703 15.971 1.00 0.00 H ATOM 1032 HB2 GLN A 74 27.367 5.391 14.299 1.00 0.00 H ATOM 1033 HB3 GLN A 74 25.698 5.495 13.692 1.00 0.00 H ATOM 1034 HG2 GLN A 74 25.020 6.174 16.040 1.00 0.00 H ATOM 1035 HG3 GLN A 74 26.755 6.330 16.401 1.00 0.00 H ATOM 1036 HE22 GLN A 74 24.090 8.060 15.682 1.00 0.00 H ATOM 1037 HE21 GLN A 74 24.830 9.415 14.754 1.00 0.00 H ATOM 1038 H GLN A 74 26.253 3.195 13.037 1.00 0.00 H ATOM 1039 N SER A 75 24.214 3.816 16.654 1.00 26.57 N ATOM 1040 CA SER A 75 22.822 3.803 17.107 1.00 27.50 C ATOM 1041 C SER A 75 21.997 5.064 16.768 1.00 28.22 C ATOM 1042 O SER A 75 22.457 6.189 16.932 1.00 28.20 O ATOM 1043 CB SER A 75 22.774 3.560 18.608 1.00 25.78 C ATOM 1044 OG SER A 75 23.364 4.632 19.297 1.00 30.02 O ATOM 1045 HA SER A 75 22.353 2.992 16.549 1.00 0.00 H ATOM 1046 HB2 SER A 75 23.314 2.642 18.841 1.00 0.00 H ATOM 1047 HB3 SER A 75 21.735 3.459 18.923 1.00 0.00 H ATOM 1048 HG SER A 75 22.873 5.466 19.089 1.00 0.00 H ATOM 1049 H SER A 75 24.967 3.889 17.368 1.00 0.00 H ATOM 1050 N TYR A 76 20.768 4.871 16.292 1.00 28.87 N ATOM 1051 CA TYR A 76 19.889 6.008 16.036 1.00 29.35 C ATOM 1052 C TYR A 76 19.513 6.720 17.304 1.00 29.43 C ATOM 1053 O TYR A 76 19.435 7.913 17.306 1.00 29.67 O ATOM 1054 CB TYR A 76 18.647 5.593 15.287 1.00 27.72 C ATOM 1055 CG TYR A 76 18.979 4.996 13.957 1.00 26.92 C ATOM 1056 CD1 TYR A 76 19.574 5.756 12.964 1.00 23.58 C ATOM 1057 CD2 TYR A 76 18.727 3.656 13.702 1.00 24.37 C ATOM 1058 CE1 TYR A 76 19.879 5.192 11.741 1.00 20.09 C ATOM 1059 CE2 TYR A 76 19.028 3.088 12.503 1.00 20.50 C ATOM 1060 CZ TYR A 76 19.604 3.855 11.517 1.00 23.08 C ATOM 1061 OH TYR A 76 19.890 3.271 10.282 1.00 29.51 O ATOM 1062 HA TYR A 76 20.452 6.701 15.411 1.00 0.00 H ATOM 1063 HB3 TYR A 76 18.017 6.469 15.134 1.00 0.00 H ATOM 1064 HB2 TYR A 76 18.106 4.856 15.880 1.00 0.00 H ATOM 1065 HD2 TYR A 76 18.276 3.042 14.482 1.00 0.00 H ATOM 1066 HE2 TYR A 76 18.815 2.034 12.325 1.00 0.00 H ATOM 1067 HE1 TYR A 76 20.334 5.797 10.957 1.00 0.00 H ATOM 1068 HD1 TYR A 76 19.803 6.806 13.149 1.00 0.00 H ATOM 1069 HH TYR A 76 19.053 2.934 9.876 1.00 0.00 H ATOM 1070 H TYR A 76 20.433 3.905 16.102 1.00 0.00 H ATOM 1071 N SER A 77 19.326 5.981 18.383 1.00 32.81 N ATOM 1072 CA SER A 77 19.043 6.575 19.691 1.00 36.58 C ATOM 1073 C SER A 77 20.300 6.773 20.537 1.00 36.87 C ATOM 1074 O SER A 77 21.213 5.913 20.548 1.00 35.65 O ATOM 1075 CB SER A 77 18.083 5.670 20.484 1.00 36.58 C ATOM 1076 OG SER A 77 16.811 5.555 19.842 1.00 44.74 O ATOM 1077 HA SER A 77 18.600 7.551 19.493 1.00 0.00 H ATOM 1078 HB2 SER A 77 17.940 6.092 21.479 1.00 0.00 H ATOM 1079 HB3 SER A 77 18.525 4.678 20.572 1.00 0.00 H ATOM 1080 HG SER A 77 16.223 4.967 20.380 1.00 0.00 H ATOM 1081 H SER A 77 19.382 4.946 18.301 1.00 0.00 H ATOM 1082 N THR A 78 20.316 7.878 21.285 1.00 36.60 N ATOM 1083 CA THR A 78 21.178 7.976 22.458 1.00 35.85 C ATOM 1084 C THR A 78 20.883 6.808 23.389 1.00 35.41 C ATOM 1085 O THR A 78 19.775 6.268 23.403 1.00 34.12 O ATOM 1086 CB THR A 78 20.955 9.261 23.266 1.00 36.73 C ATOM 1087 OG1 THR A 78 19.650 9.220 23.868 1.00 38.72 O ATOM 1088 CG2 THR A 78 21.143 10.515 22.393 1.00 35.93 C ATOM 1089 HA THR A 78 22.204 7.972 22.089 1.00 0.00 H ATOM 1090 HB THR A 78 21.704 9.321 24.056 1.00 0.00 H ATOM 1091 HG1 THR A 78 19.589 8.435 24.468 1.00 0.00 H ATOM 1092 HG23 THR A 78 22.142 10.506 21.957 1.00 0.00 H ATOM 1093 HG21 THR A 78 20.398 10.517 21.597 1.00 0.00 H ATOM 1094 HG22 THR A 78 21.021 11.406 23.009 1.00 0.00 H ATOM 1095 H THR A 78 19.706 8.680 21.028 1.00 0.00 H ATOM 1096 N MET A 79 21.893 6.416 24.155 1.00 35.41 N ATOM 1097 CA MET A 79 21.780 5.293 25.075 1.00 35.11 C ATOM 1098 C MET A 79 22.417 5.724 26.375 1.00 35.27 C ATOM 1099 O MET A 79 23.246 6.647 26.400 1.00 32.57 O ATOM 1100 CB MET A 79 22.469 4.035 24.534 1.00 34.74 C ATOM 1101 CG MET A 79 21.811 3.416 23.311 1.00 31.99 C ATOM 1102 SD MET A 79 22.538 1.810 22.982 1.00 36.18 S ATOM 1103 CE MET A 79 21.219 0.996 22.085 1.00 26.91 C ATOM 1104 HA MET A 79 20.731 5.032 25.212 1.00 0.00 H ATOM 1105 HB2 MET A 79 23.494 4.297 24.270 1.00 0.00 H ATOM 1106 HB3 MET A 79 22.479 3.287 25.327 1.00 0.00 H ATOM 1107 HG2 MET A 79 21.963 4.066 22.449 1.00 0.00 H ATOM 1108 HG3 MET A 79 20.743 3.300 23.494 1.00 0.00 H ATOM 1109 HE1 MET A 79 20.330 0.946 22.714 1.00 0.00 H ATOM 1110 HE2 MET A 79 20.994 1.561 21.180 1.00 0.00 H ATOM 1111 HE3 MET A 79 21.533 -0.013 21.816 1.00 0.00 H ATOM 1112 H MET A 79 22.796 6.928 24.096 1.00 0.00 H ATOM 1113 N SER A 80 22.006 5.079 27.458 1.00 35.75 N ATOM 1114 CA SER A 80 22.657 5.340 28.742 1.00 37.62 C ATOM 1115 C SER A 80 24.032 4.683 28.873 1.00 37.52 C ATOM 1116 O SER A 80 24.150 3.436 28.963 1.00 37.42 O ATOM 1117 CB SER A 80 21.789 4.886 29.910 1.00 37.22 C ATOM 1118 OG SER A 80 22.497 5.129 31.100 1.00 39.72 O ATOM 1119 HA SER A 80 22.795 6.421 28.773 1.00 0.00 H ATOM 1120 HB2 SER A 80 21.573 3.821 29.819 1.00 0.00 H ATOM 1121 HB3 SER A 80 20.854 5.446 29.915 1.00 0.00 H ATOM 1122 HG SER A 80 21.950 4.841 31.873 1.00 0.00 H ATOM 1123 H SER A 80 21.227 4.393 27.395 1.00 0.00 H ATOM 1124 N ILE A 81 25.065 5.516 28.945 1.00 38.28 N ATOM 1125 CA ILE A 81 26.419 4.985 29.141 1.00 40.68 C ATOM 1126 C ILE A 81 27.091 5.521 30.406 1.00 41.74 C ATOM 1127 O ILE A 81 26.645 6.518 30.994 1.00 42.24 O ATOM 1128 CB ILE A 81 27.369 5.153 27.876 1.00 39.86 C ATOM 1129 CG1 ILE A 81 27.645 6.638 27.580 1.00 42.09 C ATOM 1130 CG2 ILE A 81 26.779 4.443 26.677 1.00 37.13 C ATOM 1131 CD1 ILE A 81 28.896 6.916 26.707 1.00 46.86 C ATOM 1132 HA ILE A 81 26.270 3.913 29.274 1.00 0.00 H ATOM 1133 HB ILE A 81 28.329 4.689 28.101 1.00 0.00 H ATOM 1134 HG12 ILE A 81 26.776 7.046 27.064 1.00 0.00 H ATOM 1135 HG13 ILE A 81 27.776 7.153 28.532 1.00 0.00 H ATOM 1136 HD11 ILE A 81 29.782 6.529 27.211 1.00 0.00 H ATOM 1137 HD12 ILE A 81 28.781 6.423 25.742 1.00 0.00 H ATOM 1138 HD13 ILE A 81 29.001 7.990 26.557 1.00 0.00 H ATOM 1139 HG21 ILE A 81 26.670 3.382 26.902 1.00 0.00 H ATOM 1140 HG22 ILE A 81 25.802 4.870 26.448 1.00 0.00 H ATOM 1141 HG23 ILE A 81 27.441 4.568 25.820 1.00 0.00 H ATOM 1142 H ILE A 81 24.914 6.542 28.863 1.00 0.00 H ATOM 1143 N THR A 82 28.172 4.843 30.799 1.00 42.54 N ATOM 1144 CA THR A 82 29.032 5.272 31.890 1.00 42.35 C ATOM 1145 C THR A 82 30.489 5.079 31.446 1.00 43.31 C ATOM 1146 O THR A 82 30.895 3.948 31.125 1.00 41.88 O ATOM 1147 CB THR A 82 28.725 4.485 33.183 1.00 43.57 C ATOM 1148 OG1 THR A 82 27.325 4.606 33.525 1.00 39.22 O ATOM 1149 CG2 THR A 82 29.602 5.002 34.341 1.00 43.25 C ATOM 1150 HA THR A 82 28.853 6.323 32.119 1.00 0.00 H ATOM 1151 HB THR A 82 28.952 3.433 33.013 1.00 0.00 H ATOM 1152 HG1 THR A 82 27.102 5.560 33.667 1.00 0.00 H ATOM 1153 HG23 THR A 82 30.653 4.905 34.070 1.00 0.00 H ATOM 1154 HG21 THR A 82 29.370 6.050 34.531 1.00 0.00 H ATOM 1155 HG22 THR A 82 29.401 4.415 35.237 1.00 0.00 H ATOM 1156 H THR A 82 28.411 3.963 30.299 1.00 0.00 H ATOM 1157 N ASP A 83 31.226 6.194 31.361 1.00 44.34 N ATOM 1158 CA ASP A 83 32.646 6.218 31.051 1.00 47.58 C ATOM 1159 C ASP A 83 33.470 6.083 32.339 1.00 49.29 C ATOM 1160 O ASP A 83 33.313 6.876 33.274 1.00 50.23 O ATOM 1161 CB ASP A 83 33.051 7.538 30.380 1.00 47.81 C ATOM 1162 CG ASP A 83 32.732 7.585 28.889 1.00 54.08 C ATOM 1163 OD1 ASP A 83 32.644 6.512 28.242 1.00 57.94 O ATOM 1164 OD2 ASP A 83 32.580 8.716 28.359 1.00 56.85 O ATOM 1165 HA ASP A 83 32.840 5.386 30.374 1.00 0.00 H ATOM 1166 HB2 ASP A 83 32.520 8.353 30.873 1.00 0.00 H ATOM 1167 HB3 ASP A 83 34.125 7.675 30.508 1.00 0.00 H ATOM 1168 H ASP A 83 30.750 7.104 31.528 1.00 0.00 H ATOM 1169 N CYS A 84 34.344 5.084 32.393 1.00 49.94 N ATOM 1170 CA CYS A 84 35.312 5.001 33.471 1.00 50.68 C ATOM 1171 C CYS A 84 36.645 5.488 32.920 1.00 52.68 C ATOM 1172 O CYS A 84 37.073 5.057 31.837 1.00 52.27 O ATOM 1173 CB CYS A 84 35.427 3.583 33.991 1.00 48.51 C ATOM 1174 SG CYS A 84 33.878 2.944 34.565 1.00 50.91 S ATOM 1175 HA CYS A 84 34.998 5.619 34.312 1.00 0.00 H ATOM 1176 HB2 CYS A 84 36.139 3.570 34.817 1.00 0.00 H ATOM 1177 HB3 CYS A 84 35.793 2.944 33.187 1.00 0.00 H ATOM 1178 H CYS A 84 34.334 4.353 31.654 1.00 0.00 H ATOM 1179 N ARG A 85 37.272 6.419 33.643 1.00 54.78 N ATOM 1180 CA ARG A 85 38.621 6.893 33.310 1.00 56.70 C ATOM 1181 C ARG A 85 39.481 6.795 34.558 1.00 58.54 C ATOM 1182 O ARG A 85 39.027 7.086 35.677 1.00 58.81 O ATOM 1183 CB ARG A 85 38.610 8.324 32.729 1.00 56.95 C ATOM 1184 CG ARG A 85 39.953 8.818 32.144 1.00 55.31 C ATOM 1185 HA ARG A 85 39.041 6.264 32.525 1.00 0.00 H ATOM 1186 HB2 ARG A 85 37.865 8.358 31.934 1.00 0.00 H ATOM 1187 HB3 ARG A 85 38.320 9.008 33.527 1.00 0.00 H ATOM 1188 HG2 ARG A 85 40.713 8.810 32.925 1.00 0.00 H ATOM 1189 HG3 ARG A 85 40.258 8.159 31.331 1.00 0.00 H ATOM 1190 H ARG A 85 36.788 6.822 34.471 1.00 0.00 H ATOM 1191 N GLU A 86 40.717 6.345 34.360 1.00 60.68 N ATOM 1192 CA GLU A 86 41.666 6.156 35.459 1.00 61.23 C ATOM 1193 C GLU A 86 42.101 7.504 36.016 1.00 61.87 C ATOM 1194 O GLU A 86 42.271 8.486 35.266 1.00 61.55 O ATOM 1195 CB GLU A 86 42.888 5.373 34.974 1.00 61.03 C ATOM 1196 CG GLU A 86 43.744 4.793 36.082 1.00 59.78 C ATOM 1197 CD GLU A 86 44.912 3.966 35.566 1.00 57.39 C ATOM 1198 OE1 GLU A 86 45.310 4.130 34.388 1.00 53.20 O ATOM 1199 OE2 GLU A 86 45.434 3.151 36.356 1.00 55.76 O ATOM 1200 HA GLU A 86 41.174 5.589 36.250 1.00 0.00 H ATOM 1201 HB2 GLU A 86 42.540 4.552 34.347 1.00 0.00 H ATOM 1202 HB3 GLU A 86 43.509 6.044 34.380 1.00 0.00 H ATOM 1203 HG2 GLU A 86 44.138 5.614 36.681 1.00 0.00 H ATOM 1204 HG3 GLU A 86 43.118 4.156 36.707 1.00 0.00 H ATOM 1205 H GLU A 86 41.020 6.120 33.391 1.00 0.00 H ATOM 1206 N THR A 87 42.266 7.547 37.331 1.00 62.38 N ATOM 1207 CA THR A 87 42.849 8.713 37.969 1.00 64.23 C ATOM 1208 C THR A 87 44.372 8.559 38.024 1.00 64.86 C ATOM 1209 O THR A 87 44.869 7.492 38.372 1.00 64.47 O ATOM 1210 CB THR A 87 42.275 8.930 39.372 1.00 64.09 C ATOM 1211 OG1 THR A 87 42.670 7.852 40.226 1.00 65.10 O ATOM 1212 CG2 THR A 87 40.747 8.984 39.311 1.00 64.94 C ATOM 1213 HA THR A 87 42.598 9.593 37.377 1.00 0.00 H ATOM 1214 HB THR A 87 42.656 9.872 39.766 1.00 0.00 H ATOM 1215 HG1 THR A 87 43.658 7.818 40.277 1.00 0.00 H ATOM 1216 HG23 THR A 87 40.439 9.804 38.662 1.00 0.00 H ATOM 1217 HG21 THR A 87 40.367 8.042 38.915 1.00 0.00 H ATOM 1218 HG22 THR A 87 40.350 9.144 40.313 1.00 0.00 H ATOM 1219 H THR A 87 41.974 6.735 37.912 1.00 0.00 H ATOM 1220 N GLY A 88 45.093 9.623 37.652 1.00 66.25 N ATOM 1221 CA GLY A 88 46.566 9.721 37.786 1.00 66.63 C ATOM 1222 C GLY A 88 47.137 9.344 39.155 1.00 66.58 C ATOM 1223 O GLY A 88 48.279 8.897 39.236 1.00 66.78 O ATOM 1224 HA3 GLY A 88 46.853 10.751 37.576 1.00 0.00 H ATOM 1225 HA2 GLY A 88 47.014 9.061 37.043 1.00 0.00 H ATOM 1226 H GLY A 88 44.587 10.434 37.242 1.00 0.00 H ATOM 1227 N SER A 89 46.337 9.504 40.215 1.00 65.96 N ATOM 1228 CA SER A 89 46.652 8.997 41.556 1.00 66.00 C ATOM 1229 C SER A 89 46.144 7.559 41.808 1.00 65.63 C ATOM 1230 O SER A 89 45.745 7.216 42.928 1.00 65.16 O ATOM 1231 CB SER A 89 46.028 9.911 42.598 1.00 66.45 C ATOM 1232 OG SER A 89 44.628 9.677 42.656 1.00 68.92 O ATOM 1233 HA SER A 89 47.739 8.978 41.630 1.00 0.00 H ATOM 1234 HB2 SER A 89 46.212 10.951 42.327 1.00 0.00 H ATOM 1235 HB3 SER A 89 46.471 9.707 43.573 1.00 0.00 H ATOM 1236 HG SER A 89 44.462 8.733 42.903 1.00 0.00 H ATOM 1237 H SER A 89 45.442 10.016 40.082 1.00 0.00 H ATOM 1238 N SER A 90 46.121 6.745 40.752 1.00 65.39 N ATOM 1239 CA SER A 90 45.775 5.324 40.820 1.00 64.05 C ATOM 1240 C SER A 90 47.049 4.584 40.465 1.00 64.35 C ATOM 1241 O SER A 90 47.732 4.949 39.505 1.00 64.16 O ATOM 1242 CB SER A 90 44.661 4.983 39.815 1.00 64.35 C ATOM 1243 OG SER A 90 44.560 3.589 39.523 1.00 59.61 O ATOM 1244 HA SER A 90 45.402 5.049 41.807 1.00 0.00 H ATOM 1245 HB2 SER A 90 44.860 5.516 38.885 1.00 0.00 H ATOM 1246 HB3 SER A 90 43.710 5.318 40.228 1.00 0.00 H ATOM 1247 HG SER A 90 44.368 3.091 40.357 1.00 0.00 H ATOM 1248 H SER A 90 46.364 7.144 39.823 1.00 0.00 H ATOM 1249 N LYS A 91 47.390 3.568 41.250 1.00 63.86 N ATOM 1250 CA LYS A 91 48.577 2.771 40.971 1.00 63.57 C ATOM 1251 C LYS A 91 48.218 1.305 41.160 1.00 63.04 C ATOM 1252 O LYS A 91 47.713 0.931 42.218 1.00 62.69 O ATOM 1253 CB LYS A 91 49.742 3.181 41.892 1.00 63.60 C ATOM 1254 HA LYS A 91 48.908 2.940 39.946 1.00 0.00 H ATOM 1255 HB2 LYS A 91 49.979 4.233 41.730 1.00 0.00 H ATOM 1256 HB3 LYS A 91 49.453 3.028 42.932 1.00 0.00 H ATOM 1257 H LYS A 91 46.801 3.338 42.076 1.00 0.00 H ATOM 1258 N TYR A 92 48.446 0.487 40.131 1.00 62.01 N ATOM 1259 CA TYR A 92 48.224 -0.947 40.254 1.00 61.81 C ATOM 1260 C TYR A 92 48.986 -1.434 41.479 1.00 62.21 C ATOM 1261 O TYR A 92 50.183 -1.143 41.613 1.00 60.97 O ATOM 1262 CB TYR A 92 48.713 -1.685 39.012 1.00 61.60 C ATOM 1263 CG TYR A 92 48.497 -3.192 39.003 1.00 60.40 C ATOM 1264 CD1 TYR A 92 49.546 -4.063 39.282 1.00 62.56 C ATOM 1265 CD2 TYR A 92 47.256 -3.745 38.678 1.00 57.99 C ATOM 1266 CE1 TYR A 92 49.370 -5.452 39.248 1.00 60.50 C ATOM 1267 CE2 TYR A 92 47.065 -5.133 38.642 1.00 55.65 C ATOM 1268 CZ TYR A 92 48.131 -5.981 38.921 1.00 58.02 C ATOM 1269 OH TYR A 92 47.973 -7.354 38.900 1.00 50.62 O ATOM 1270 HA TYR A 92 47.157 -1.145 40.357 1.00 0.00 H ATOM 1271 HB3 TYR A 92 49.783 -1.501 38.914 1.00 0.00 H ATOM 1272 HB2 TYR A 92 48.193 -1.268 38.150 1.00 0.00 H ATOM 1273 HD2 TYR A 92 46.420 -3.084 38.448 1.00 0.00 H ATOM 1274 HE2 TYR A 92 46.086 -5.545 38.397 1.00 0.00 H ATOM 1275 HE1 TYR A 92 50.204 -6.115 39.478 1.00 0.00 H ATOM 1276 HD1 TYR A 92 50.525 -3.655 39.532 1.00 0.00 H ATOM 1277 HH TYR A 92 47.683 -7.638 37.997 1.00 0.00 H ATOM 1278 H TYR A 92 48.787 0.878 39.230 1.00 0.00 H ATOM 1279 N PRO A 93 48.311 -2.209 42.349 1.00 62.45 N ATOM 1280 CA PRO A 93 46.974 -2.796 42.142 1.00 63.17 C ATOM 1281 C PRO A 93 45.766 -1.986 42.618 1.00 63.21 C ATOM 1282 O PRO A 93 44.632 -2.435 42.433 1.00 63.67 O ATOM 1283 CB PRO A 93 47.044 -4.132 42.916 1.00 63.46 C ATOM 1284 CG PRO A 93 48.472 -4.218 43.470 1.00 64.00 C ATOM 1285 CD PRO A 93 48.969 -2.799 43.521 1.00 63.08 C ATOM 1286 HA PRO A 93 46.791 -2.867 41.070 1.00 0.00 H ATOM 1287 HD3 PRO A 93 48.661 -2.303 44.441 1.00 0.00 H ATOM 1288 HD2 PRO A 93 50.054 -2.755 43.432 1.00 0.00 H ATOM 1289 HG3 PRO A 93 49.101 -4.819 42.813 1.00 0.00 H ATOM 1290 HG2 PRO A 93 48.468 -4.657 44.468 1.00 0.00 H ATOM 1291 HB2 PRO A 93 46.319 -4.138 43.730 1.00 0.00 H ATOM 1292 HB3 PRO A 93 46.844 -4.970 42.248 1.00 0.00 H ATOM 1293 N ASN A 94 45.999 -0.827 43.225 1.00 62.95 N ATOM 1294 CA ASN A 94 44.916 0.043 43.681 1.00 62.38 C ATOM 1295 C ASN A 94 44.434 0.922 42.545 1.00 61.34 C ATOM 1296 O ASN A 94 44.712 2.129 42.541 1.00 61.82 O ATOM 1297 CB ASN A 94 45.386 0.951 44.828 1.00 62.94 C ATOM 1298 CG ASN A 94 45.894 0.173 46.036 1.00 65.96 C ATOM 1299 OD1 ASN A 94 45.423 -0.934 46.336 1.00 69.06 O ATOM 1300 ND2 ASN A 94 46.854 0.761 46.743 1.00 66.01 N ATOM 1301 HA ASN A 94 44.106 -0.597 44.031 1.00 0.00 H ATOM 1302 HB2 ASN A 94 46.192 1.586 44.460 1.00 0.00 H ATOM 1303 HB3 ASN A 94 44.549 1.574 45.143 1.00 0.00 H ATOM 1304 HD22 ASN A 94 47.218 1.691 46.453 1.00 0.00 H ATOM 1305 HD21 ASN A 94 47.241 0.291 47.586 1.00 0.00 H ATOM 1306 H ASN A 94 46.983 -0.529 43.381 1.00 0.00 H ATOM 1307 N CYS A 95 43.732 0.322 41.580 1.00 59.70 N ATOM 1308 CA CYS A 95 43.156 1.054 40.442 1.00 57.54 C ATOM 1309 C CYS A 95 42.010 1.951 40.917 1.00 56.92 C ATOM 1310 O CYS A 95 41.162 1.528 41.689 1.00 57.13 O ATOM 1311 CB CYS A 95 42.642 0.089 39.361 1.00 57.27 C ATOM 1312 SG CYS A 95 43.820 -1.137 38.699 1.00 52.44 S ATOM 1313 HA CYS A 95 43.944 1.669 40.008 1.00 0.00 H ATOM 1314 HB2 CYS A 95 42.293 0.693 38.523 1.00 0.00 H ATOM 1315 HB3 CYS A 95 41.802 -0.461 39.786 1.00 0.00 H ATOM 1316 H CYS A 95 43.587 -0.706 41.636 1.00 0.00 H ATOM 1317 N ALA A 96 41.994 3.194 40.469 1.00 56.06 N ATOM 1318 CA ALA A 96 40.927 4.115 40.842 1.00 55.76 C ATOM 1319 C ALA A 96 40.403 4.837 39.604 1.00 54.81 C ATOM 1320 O ALA A 96 41.163 5.100 38.666 1.00 54.04 O ATOM 1321 CB ALA A 96 41.415 5.115 41.895 1.00 56.02 C ATOM 1322 HA ALA A 96 40.109 3.543 41.281 1.00 0.00 H ATOM 1323 HB1 ALA A 96 41.740 4.575 42.784 1.00 0.00 H ATOM 1324 HB2 ALA A 96 42.249 5.688 41.491 1.00 0.00 H ATOM 1325 HB3 ALA A 96 40.601 5.791 42.157 1.00 0.00 H ATOM 1326 H ALA A 96 42.755 3.521 39.840 1.00 0.00 H ATOM 1327 N TYR A 97 39.105 5.148 39.612 1.00 54.18 N ATOM 1328 CA TYR A 97 38.411 5.638 38.409 1.00 53.92 C ATOM 1329 C TYR A 97 37.406 6.774 38.641 1.00 54.40 C ATOM 1330 O TYR A 97 36.546 6.700 39.532 1.00 54.09 O ATOM 1331 CB TYR A 97 37.676 4.476 37.705 1.00 53.22 C ATOM 1332 CG TYR A 97 38.574 3.416 37.128 1.00 47.73 C ATOM 1333 CD1 TYR A 97 38.795 2.222 37.804 1.00 39.14 C ATOM 1334 CD2 TYR A 97 39.199 3.609 35.896 1.00 49.39 C ATOM 1335 CE1 TYR A 97 39.632 1.260 37.285 1.00 44.14 C ATOM 1336 CE2 TYR A 97 40.051 2.642 35.357 1.00 44.23 C ATOM 1337 CZ TYR A 97 40.259 1.481 36.056 1.00 42.56 C ATOM 1338 OH TYR A 97 41.075 0.528 35.516 1.00 49.90 O ATOM 1339 HA TYR A 97 39.207 6.054 37.791 1.00 0.00 H ATOM 1340 HB3 TYR A 97 37.080 4.894 36.894 1.00 0.00 H ATOM 1341 HB2 TYR A 97 37.016 4.002 38.432 1.00 0.00 H ATOM 1342 HD2 TYR A 97 39.019 4.531 35.344 1.00 0.00 H ATOM 1343 HE2 TYR A 97 40.542 2.808 34.398 1.00 0.00 H ATOM 1344 HE1 TYR A 97 39.805 0.332 37.829 1.00 0.00 H ATOM 1345 HD1 TYR A 97 38.299 2.045 38.758 1.00 0.00 H ATOM 1346 HH TYR A 97 40.707 0.235 34.645 1.00 0.00 H ATOM 1347 H TYR A 97 38.567 5.041 40.495 1.00 0.00 H ATOM 1348 N LYS A 98 37.494 7.798 37.799 1.00 54.53 N ATOM 1349 CA LYS A 98 36.422 8.779 37.675 1.00 54.78 C ATOM 1350 C LYS A 98 35.216 8.180 36.927 1.00 55.11 C ATOM 1351 O LYS A 98 35.344 7.735 35.777 1.00 54.75 O ATOM 1352 CB LYS A 98 36.929 10.019 36.939 1.00 55.12 C ATOM 1353 HA LYS A 98 36.100 9.063 38.677 1.00 0.00 H ATOM 1354 HB2 LYS A 98 37.755 10.459 37.498 1.00 0.00 H ATOM 1355 HB3 LYS A 98 37.272 9.735 35.944 1.00 0.00 H ATOM 1356 H LYS A 98 38.348 7.902 37.214 1.00 0.00 H ATOM 1357 N THR A 99 34.061 8.181 37.594 1.00 55.13 N ATOM 1358 CA THR A 99 32.780 7.806 36.999 1.00 55.08 C ATOM 1359 C THR A 99 32.122 8.991 36.287 1.00 56.13 C ATOM 1360 O THR A 99 32.007 10.085 36.860 1.00 57.29 O ATOM 1361 CB THR A 99 31.830 7.272 38.078 1.00 54.43 C ATOM 1362 OG1 THR A 99 32.342 6.034 38.599 1.00 56.43 O ATOM 1363 CG2 THR A 99 30.433 7.047 37.524 1.00 55.88 C ATOM 1364 HA THR A 99 32.977 7.027 36.262 1.00 0.00 H ATOM 1365 HB THR A 99 31.767 8.016 38.872 1.00 0.00 H ATOM 1366 HG1 THR A 99 32.413 5.373 37.865 1.00 0.00 H ATOM 1367 HG23 THR A 99 30.045 7.986 37.129 1.00 0.00 H ATOM 1368 HG21 THR A 99 30.475 6.305 36.726 1.00 0.00 H ATOM 1369 HG22 THR A 99 29.781 6.689 38.321 1.00 0.00 H ATOM 1370 H THR A 99 34.073 8.465 38.594 1.00 0.00 H ATOM 1371 N THR A 100 31.694 8.782 35.039 1.00 55.67 N ATOM 1372 CA THR A 100 31.005 9.825 34.276 1.00 54.84 C ATOM 1373 C THR A 100 29.756 9.246 33.623 1.00 54.71 C ATOM 1374 O THR A 100 29.842 8.297 32.849 1.00 54.84 O ATOM 1375 CB THR A 100 31.906 10.442 33.196 1.00 54.76 C ATOM 1376 OG1 THR A 100 33.175 10.768 33.765 1.00 54.62 O ATOM 1377 CG2 THR A 100 31.279 11.711 32.623 1.00 54.96 C ATOM 1378 HA THR A 100 30.733 10.616 34.975 1.00 0.00 H ATOM 1379 HB THR A 100 32.026 9.715 32.393 1.00 0.00 H ATOM 1380 HG1 THR A 100 33.755 11.166 33.068 1.00 0.00 H ATOM 1381 HG23 THR A 100 30.310 11.471 32.187 1.00 0.00 H ATOM 1382 HG21 THR A 100 31.149 12.442 33.421 1.00 0.00 H ATOM 1383 HG22 THR A 100 31.933 12.123 31.854 1.00 0.00 H ATOM 1384 H THR A 100 31.854 7.854 34.598 1.00 0.00 H ATOM 1385 N GLN A 101 28.597 9.818 33.952 1.00 54.17 N ATOM 1386 CA GLN A 101 27.316 9.374 33.393 1.00 53.59 C ATOM 1387 C GLN A 101 26.924 10.218 32.175 1.00 52.24 C ATOM 1388 O GLN A 101 27.129 11.442 32.187 1.00 52.02 O ATOM 1389 CB GLN A 101 26.210 9.401 34.456 1.00 53.79 C ATOM 1390 CG GLN A 101 24.865 8.890 33.951 1.00 55.61 C ATOM 1391 CD GLN A 101 24.947 7.473 33.375 1.00 61.46 C ATOM 1392 OE1 GLN A 101 25.611 6.597 33.951 1.00 59.73 O ATOM 1393 NE2 GLN A 101 24.267 7.242 32.234 1.00 54.50 N ATOM 1394 HA GLN A 101 27.438 8.343 33.062 1.00 0.00 H ATOM 1395 HB2 GLN A 101 26.522 8.779 35.295 1.00 0.00 H ATOM 1396 HB3 GLN A 101 26.083 10.429 34.795 1.00 0.00 H ATOM 1397 HG2 GLN A 101 24.159 8.889 34.781 1.00 0.00 H ATOM 1398 HG3 GLN A 101 24.507 9.563 33.172 1.00 0.00 H ATOM 1399 HE22 GLN A 101 23.724 8.009 31.788 1.00 0.00 H ATOM 1400 HE21 GLN A 101 24.285 6.297 31.800 1.00 0.00 H ATOM 1401 H GLN A 101 28.602 10.607 34.629 1.00 0.00 H ATOM 1402 N ALA A 102 26.386 9.566 31.131 1.00 49.61 N ATOM 1403 CA ALA A 102 25.990 10.285 29.916 1.00 47.94 C ATOM 1404 C ALA A 102 24.908 9.596 29.084 1.00 47.90 C ATOM 1405 O ALA A 102 24.622 8.399 29.269 1.00 48.11 O ATOM 1406 CB ALA A 102 27.214 10.629 29.059 1.00 47.50 C ATOM 1407 HA ALA A 102 25.526 11.206 30.269 1.00 0.00 H ATOM 1408 HB1 ALA A 102 27.893 11.259 29.634 1.00 0.00 H ATOM 1409 HB2 ALA A 102 27.725 9.710 28.772 1.00 0.00 H ATOM 1410 HB3 ALA A 102 26.891 11.162 28.164 1.00 0.00 H ATOM 1411 H ALA A 102 26.248 8.537 31.185 1.00 0.00 H ATOM 1412 N ASN A 103 24.288 10.382 28.198 1.00 47.21 N ATOM 1413 CA ASN A 103 23.419 9.872 27.125 1.00 47.12 C ATOM 1414 C ASN A 103 24.018 10.236 25.771 1.00 45.84 C ATOM 1415 O ASN A 103 23.987 11.403 25.361 1.00 46.97 O ATOM 1416 CB ASN A 103 21.991 10.440 27.209 1.00 47.39 C ATOM 1417 CG ASN A 103 21.121 9.705 28.212 1.00 50.24 C ATOM 1418 OD1 ASN A 103 20.784 10.246 29.266 1.00 58.38 O ATOM 1419 ND2 ASN A 103 20.756 8.469 27.895 1.00 53.22 N ATOM 1420 HA ASN A 103 23.356 8.790 27.243 1.00 0.00 H ATOM 1421 HB2 ASN A 103 22.050 11.488 27.502 1.00 0.00 H ATOM 1422 HB3 ASN A 103 21.528 10.364 26.225 1.00 0.00 H ATOM 1423 HD22 ASN A 103 21.064 8.051 26.994 1.00 0.00 H ATOM 1424 HD21 ASN A 103 20.162 7.918 28.548 1.00 0.00 H ATOM 1425 H ASN A 103 24.427 11.410 28.271 1.00 0.00 H ATOM 1426 N LYS A 104 24.563 9.238 25.082 1.00 43.73 N ATOM 1427 CA LYS A 104 25.239 9.450 23.800 1.00 41.73 C ATOM 1428 C LYS A 104 24.917 8.312 22.827 1.00 38.81 C ATOM 1429 O LYS A 104 24.414 7.269 23.234 1.00 38.18 O ATOM 1430 CB LYS A 104 26.752 9.570 24.024 1.00 42.85 C ATOM 1431 CG LYS A 104 27.242 10.918 24.563 1.00 45.46 C ATOM 1432 CD LYS A 104 28.767 10.942 24.568 1.00 53.69 C ATOM 1433 CE LYS A 104 29.335 12.340 24.379 1.00 61.81 C ATOM 1434 NZ LYS A 104 30.695 12.304 23.702 1.00 63.72 N ATOM 1435 HA LYS A 104 24.878 10.379 23.357 1.00 0.00 H ATOM 1436 HB2 LYS A 104 27.047 8.798 24.735 1.00 0.00 H ATOM 1437 HB3 LYS A 104 27.247 9.392 23.069 1.00 0.00 H ATOM 1438 HG2 LYS A 104 26.868 11.721 23.928 1.00 0.00 H ATOM 1439 HG3 LYS A 104 26.873 11.059 25.579 1.00 0.00 H ATOM 1440 HD2 LYS A 104 29.119 10.549 25.522 1.00 0.00 H ATOM 1441 HD3 LYS A 104 29.128 10.307 23.759 1.00 0.00 H ATOM 1442 HE2 LYS A 104 29.438 12.815 25.354 1.00 0.00 H ATOM 1443 HE3 LYS A 104 28.648 12.921 23.763 1.00 0.00 H ATOM 1444 HZ1 LYS A 104 31.358 11.756 24.287 1.00 0.00 H ATOM 1445 HZ2 LYS A 104 30.604 11.857 22.768 1.00 0.00 H ATOM 1446 HZ3 LYS A 104 31.051 13.275 23.590 1.00 0.00 H ATOM 1447 H LYS A 104 24.507 8.273 25.467 1.00 0.00 H ATOM 1448 N HIS A 105 25.163 8.518 21.538 1.00 36.21 N ATOM 1449 CA HIS A 105 25.039 7.416 20.574 1.00 35.39 C ATOM 1450 C HIS A 105 26.252 6.531 20.730 1.00 32.74 C ATOM 1451 O HIS A 105 27.355 7.036 20.888 1.00 33.58 O ATOM 1452 CB HIS A 105 24.958 7.943 19.137 1.00 35.03 C ATOM 1453 CG HIS A 105 23.899 8.975 18.942 1.00 38.30 C ATOM 1454 ND1 HIS A 105 22.561 8.655 18.849 1.00 41.68 N ATOM 1455 CD2 HIS A 105 23.971 10.327 18.880 1.00 44.13 C ATOM 1456 CE1 HIS A 105 21.859 9.764 18.695 1.00 41.70 C ATOM 1457 NE2 HIS A 105 22.688 10.792 18.724 1.00 42.28 N ATOM 1458 HA HIS A 105 24.123 6.859 20.769 1.00 0.00 H ATOM 1459 HB2 HIS A 105 25.921 8.382 18.875 1.00 0.00 H ATOM 1460 HB3 HIS A 105 24.750 7.104 18.473 1.00 0.00 H ATOM 1461 HD2 HIS A 105 24.876 10.931 18.942 1.00 0.00 H ATOM 1462 HE1 HIS A 105 20.778 9.821 18.566 1.00 0.00 H ATOM 1463 H HIS A 105 25.445 9.464 21.210 1.00 0.00 H ATOM 1464 N ILE A 106 26.064 5.226 20.727 1.00 30.72 N ATOM 1465 CA ILE A 106 27.234 4.329 20.718 1.00 30.00 C ATOM 1466 C ILE A 106 27.613 3.926 19.275 1.00 28.07 C ATOM 1467 O ILE A 106 26.744 3.837 18.396 1.00 25.59 O ATOM 1468 CB ILE A 106 27.060 3.078 21.630 1.00 30.32 C ATOM 1469 CG1 ILE A 106 26.044 2.094 21.059 1.00 27.35 C ATOM 1470 CG2 ILE A 106 26.633 3.484 23.068 1.00 32.27 C ATOM 1471 CD1 ILE A 106 26.169 0.729 21.709 1.00 28.83 C ATOM 1472 HA ILE A 106 28.059 4.898 21.146 1.00 0.00 H ATOM 1473 HB ILE A 106 28.032 2.587 21.670 1.00 0.00 H ATOM 1474 HG12 ILE A 106 25.040 2.480 21.234 1.00 0.00 H ATOM 1475 HG13 ILE A 106 26.212 1.993 19.987 1.00 0.00 H ATOM 1476 HD11 ILE A 106 27.170 0.335 21.533 1.00 0.00 H ATOM 1477 HD12 ILE A 106 25.997 0.821 22.781 1.00 0.00 H ATOM 1478 HD13 ILE A 106 25.430 0.054 21.278 1.00 0.00 H ATOM 1479 HG21 ILE A 106 27.396 4.129 23.504 1.00 0.00 H ATOM 1480 HG22 ILE A 106 25.684 4.019 23.027 1.00 0.00 H ATOM 1481 HG23 ILE A 106 26.520 2.588 23.679 1.00 0.00 H ATOM 1482 H ILE A 106 25.101 4.834 20.731 1.00 0.00 H ATOM 1483 N ILE A 107 28.915 3.740 19.049 1.00 25.85 N ATOM 1484 CA ILE A 107 29.450 3.133 17.826 1.00 23.83 C ATOM 1485 C ILE A 107 30.139 1.800 18.169 1.00 23.50 C ATOM 1486 O ILE A 107 31.097 1.751 18.967 1.00 23.64 O ATOM 1487 CB ILE A 107 30.415 4.079 17.048 1.00 23.85 C ATOM 1488 CG1 ILE A 107 29.747 5.433 16.768 1.00 22.17 C ATOM 1489 CG2 ILE A 107 30.826 3.435 15.705 1.00 23.95 C ATOM 1490 CD1 ILE A 107 30.607 6.404 16.067 1.00 21.84 C ATOM 1491 HA ILE A 107 28.609 2.948 17.157 1.00 0.00 H ATOM 1492 HB ILE A 107 31.298 4.238 17.667 1.00 0.00 H ATOM 1493 HG12 ILE A 107 28.862 5.257 16.156 1.00 0.00 H ATOM 1494 HG13 ILE A 107 29.447 5.869 17.721 1.00 0.00 H ATOM 1495 HD11 ILE A 107 31.493 6.605 16.670 1.00 0.00 H ATOM 1496 HD12 ILE A 107 30.907 5.992 15.104 1.00 0.00 H ATOM 1497 HD13 ILE A 107 30.054 7.331 15.911 1.00 0.00 H ATOM 1498 HG21 ILE A 107 31.331 2.488 15.897 1.00 0.00 H ATOM 1499 HG22 ILE A 107 29.936 3.257 15.101 1.00 0.00 H ATOM 1500 HG23 ILE A 107 31.500 4.106 15.173 1.00 0.00 H ATOM 1501 H ILE A 107 29.588 4.043 19.782 1.00 0.00 H ATOM 1502 N VAL A 108 29.650 0.716 17.577 1.00 21.94 N ATOM 1503 CA VAL A 108 30.235 -0.622 17.822 1.00 22.72 C ATOM 1504 C VAL A 108 30.607 -1.290 16.505 1.00 22.77 C ATOM 1505 O VAL A 108 30.031 -0.922 15.447 1.00 22.81 O ATOM 1506 CB VAL A 108 29.249 -1.573 18.574 1.00 22.09 C ATOM 1507 CG1 VAL A 108 29.071 -1.142 20.036 1.00 22.94 C ATOM 1508 CG2 VAL A 108 27.926 -1.604 17.849 1.00 18.79 C ATOM 1509 HA VAL A 108 31.117 -0.460 18.442 1.00 0.00 H ATOM 1510 HB VAL A 108 29.668 -2.579 18.584 1.00 0.00 H ATOM 1511 HG11 VAL A 108 30.036 -1.170 20.542 1.00 0.00 H ATOM 1512 HG12 VAL A 108 28.671 -0.128 20.069 1.00 0.00 H ATOM 1513 HG13 VAL A 108 28.380 -1.823 20.533 1.00 0.00 H ATOM 1514 HG21 VAL A 108 27.507 -0.598 17.817 1.00 0.00 H ATOM 1515 HG22 VAL A 108 28.078 -1.968 16.833 1.00 0.00 H ATOM 1516 HG23 VAL A 108 27.240 -2.268 18.375 1.00 0.00 H ATOM 1517 H VAL A 108 28.841 0.809 16.930 1.00 0.00 H ATOM 1518 N ALA A 109 31.533 -2.253 16.577 1.00 20.54 N ATOM 1519 CA ALA A 109 31.868 -3.074 15.416 1.00 22.47 C ATOM 1520 C ALA A 109 31.252 -4.434 15.582 1.00 23.73 C ATOM 1521 O ALA A 109 31.356 -5.027 16.663 1.00 26.27 O ATOM 1522 CB ALA A 109 33.411 -3.201 15.204 1.00 21.66 C ATOM 1523 HA ALA A 109 31.467 -2.584 14.529 1.00 0.00 H ATOM 1524 HB1 ALA A 109 33.838 -2.210 15.052 1.00 0.00 H ATOM 1525 HB2 ALA A 109 33.861 -3.661 16.084 1.00 0.00 H ATOM 1526 HB3 ALA A 109 33.606 -3.821 14.329 1.00 0.00 H ATOM 1527 H ALA A 109 32.024 -2.421 17.478 1.00 0.00 H ATOM 1528 N CYS A 110 30.629 -4.959 14.522 1.00 24.45 N ATOM 1529 CA CYS A 110 29.965 -6.270 14.624 1.00 24.17 C ATOM 1530 C CYS A 110 30.653 -7.302 13.751 1.00 24.83 C ATOM 1531 O CYS A 110 31.373 -6.928 12.839 1.00 24.52 O ATOM 1532 CB CYS A 110 28.478 -6.151 14.293 1.00 22.12 C ATOM 1533 SG CYS A 110 27.687 -4.835 15.203 1.00 24.95 S ATOM 1534 HA CYS A 110 30.047 -6.614 15.655 1.00 0.00 H ATOM 1535 HB2 CYS A 110 27.987 -7.093 14.539 1.00 0.00 H ATOM 1536 HB3 CYS A 110 28.370 -5.954 13.226 1.00 0.00 H ATOM 1537 H CYS A 110 30.613 -4.439 13.621 1.00 0.00 H ATOM 1538 N GLU A 111 30.411 -8.588 14.031 1.00 26.33 N ATOM 1539 CA GLU A 111 31.039 -9.730 13.317 1.00 28.80 C ATOM 1540 C GLU A 111 30.252 -10.978 13.620 1.00 29.50 C ATOM 1541 O GLU A 111 29.549 -11.020 14.616 1.00 29.67 O ATOM 1542 CB GLU A 111 32.461 -10.020 13.839 1.00 27.28 C ATOM 1543 CG GLU A 111 33.463 -9.048 13.365 1.00 32.24 C ATOM 1544 CD GLU A 111 34.871 -9.467 13.678 1.00 35.94 C ATOM 1545 OE1 GLU A 111 35.153 -9.792 14.842 1.00 45.15 O ATOM 1546 OE2 GLU A 111 35.696 -9.451 12.752 1.00 40.92 O ATOM 1547 HA GLU A 111 31.063 -9.472 12.258 1.00 0.00 H ATOM 1548 HB2 GLU A 111 32.442 -9.995 14.929 1.00 0.00 H ATOM 1549 HB3 GLU A 111 32.757 -11.014 13.505 1.00 0.00 H ATOM 1550 HG2 GLU A 111 33.362 -8.942 12.285 1.00 0.00 H ATOM 1551 HG3 GLU A 111 33.270 -8.087 13.843 1.00 0.00 H ATOM 1552 H GLU A 111 29.741 -8.802 14.797 1.00 0.00 H ATOM 1553 N GLY A 112 30.398 -12.007 12.796 1.00 30.16 N ATOM 1554 CA GLY A 112 29.920 -13.303 13.197 1.00 33.34 C ATOM 1555 C GLY A 112 28.601 -13.671 12.569 1.00 36.31 C ATOM 1556 O GLY A 112 27.921 -12.822 11.994 1.00 37.24 O ATOM 1557 HA3 GLY A 112 29.801 -13.309 14.281 1.00 0.00 H ATOM 1558 HA2 GLY A 112 30.661 -14.049 12.910 1.00 0.00 H ATOM 1559 H GLY A 112 30.853 -11.878 11.870 1.00 0.00 H ATOM 1560 N ASN A 113 28.270 -14.958 12.661 1.00 37.89 N ATOM 1561 CA ASN A 113 26.936 -15.465 12.356 1.00 39.60 C ATOM 1562 C ASN A 113 26.460 -16.205 13.607 1.00 38.77 C ATOM 1563 O ASN A 113 26.900 -17.348 13.856 1.00 40.55 O ATOM 1564 CB ASN A 113 26.968 -16.383 11.113 1.00 40.62 C ATOM 1565 CG ASN A 113 25.585 -16.976 10.759 1.00 47.40 C ATOM 1566 OD1 ASN A 113 24.532 -16.465 11.166 1.00 52.09 O ATOM 1567 ND2 ASN A 113 25.598 -18.058 9.988 1.00 53.93 N ATOM 1568 HA ASN A 113 26.247 -14.657 12.110 1.00 0.00 H ATOM 1569 HB2 ASN A 113 27.325 -15.802 10.262 1.00 0.00 H ATOM 1570 HB3 ASN A 113 27.658 -17.204 11.306 1.00 0.00 H ATOM 1571 HD22 ASN A 113 26.503 -18.457 9.667 1.00 0.00 H ATOM 1572 HD21 ASN A 113 24.703 -18.506 9.706 1.00 0.00 H ATOM 1573 H ASN A 113 28.998 -15.635 12.965 1.00 0.00 H ATOM 1574 N PRO A 114 25.597 -15.566 14.429 1.00 36.61 N ATOM 1575 CA PRO A 114 24.909 -14.264 14.358 1.00 35.91 C ATOM 1576 C PRO A 114 25.824 -13.022 14.410 1.00 34.56 C ATOM 1577 O PRO A 114 26.858 -13.052 15.071 1.00 35.01 O ATOM 1578 CB PRO A 114 24.028 -14.289 15.611 1.00 35.58 C ATOM 1579 CG PRO A 114 24.812 -15.122 16.568 1.00 35.14 C ATOM 1580 CD PRO A 114 25.318 -16.238 15.708 1.00 36.02 C ATOM 1581 HA PRO A 114 24.395 -14.163 13.402 1.00 0.00 H ATOM 1582 HD3 PRO A 114 26.224 -16.677 16.127 1.00 0.00 H ATOM 1583 HD2 PRO A 114 24.562 -17.014 15.587 1.00 0.00 H ATOM 1584 HG3 PRO A 114 24.177 -15.501 17.369 1.00 0.00 H ATOM 1585 HG2 PRO A 114 25.637 -14.554 16.998 1.00 0.00 H ATOM 1586 HB2 PRO A 114 23.877 -13.283 16.002 1.00 0.00 H ATOM 1587 HB3 PRO A 114 23.061 -14.744 15.399 1.00 0.00 H ATOM 1588 N TYR A 115 25.411 -11.953 13.726 1.00 34.05 N ATOM 1589 CA TYR A 115 26.116 -10.646 13.667 1.00 32.60 C ATOM 1590 C TYR A 115 25.989 -9.842 14.957 1.00 32.11 C ATOM 1591 O TYR A 115 25.063 -9.074 15.113 1.00 33.72 O ATOM 1592 CB TYR A 115 25.566 -9.814 12.496 1.00 31.31 C ATOM 1593 CG TYR A 115 26.512 -8.778 11.868 1.00 27.25 C ATOM 1594 CD1 TYR A 115 27.746 -9.154 11.329 1.00 28.56 C ATOM 1595 CD2 TYR A 115 26.122 -7.452 11.728 1.00 24.78 C ATOM 1596 CE1 TYR A 115 28.598 -8.220 10.711 1.00 25.72 C ATOM 1597 CE2 TYR A 115 26.967 -6.492 11.110 1.00 27.87 C ATOM 1598 CZ TYR A 115 28.203 -6.903 10.608 1.00 29.00 C ATOM 1599 OH TYR A 115 29.023 -6.001 9.984 1.00 25.24 O ATOM 1600 HA TYR A 115 27.174 -10.864 13.523 1.00 0.00 H ATOM 1601 HB3 TYR A 115 24.687 -9.280 12.857 1.00 0.00 H ATOM 1602 HB2 TYR A 115 25.271 -10.509 11.710 1.00 0.00 H ATOM 1603 HD2 TYR A 115 25.146 -7.141 12.101 1.00 0.00 H ATOM 1604 HE2 TYR A 115 26.655 -5.451 11.029 1.00 0.00 H ATOM 1605 HE1 TYR A 115 29.564 -8.536 10.316 1.00 0.00 H ATOM 1606 HD1 TYR A 115 28.056 -10.197 11.389 1.00 0.00 H ATOM 1607 HH TYR A 115 28.557 -5.624 9.196 1.00 0.00 H ATOM 1608 H TYR A 115 24.524 -12.042 13.191 1.00 0.00 H ATOM 1609 N VAL A 116 26.944 -9.973 15.863 1.00 31.64 N ATOM 1610 CA VAL A 116 26.816 -9.370 17.192 1.00 30.86 C ATOM 1611 C VAL A 116 27.944 -8.382 17.452 1.00 30.19 C ATOM 1612 O VAL A 116 28.953 -8.480 16.818 1.00 30.24 O ATOM 1613 CB VAL A 116 26.829 -10.492 18.297 1.00 32.55 C ATOM 1614 CG1 VAL A 116 25.477 -11.203 18.366 1.00 30.30 C ATOM 1615 CG2 VAL A 116 27.973 -11.528 18.037 1.00 31.23 C ATOM 1616 HA VAL A 116 25.869 -8.832 17.231 1.00 0.00 H ATOM 1617 HB VAL A 116 27.017 -10.009 19.256 1.00 0.00 H ATOM 1618 HG11 VAL A 116 24.699 -10.479 18.609 1.00 0.00 H ATOM 1619 HG12 VAL A 116 25.260 -11.662 17.401 1.00 0.00 H ATOM 1620 HG13 VAL A 116 25.512 -11.973 19.137 1.00 0.00 H ATOM 1621 HG21 VAL A 116 27.822 -11.998 17.065 1.00 0.00 H ATOM 1622 HG22 VAL A 116 28.935 -11.016 18.049 1.00 0.00 H ATOM 1623 HG23 VAL A 116 27.956 -12.290 18.817 1.00 0.00 H ATOM 1624 H VAL A 116 27.801 -10.514 15.628 1.00 0.00 H ATOM 1625 N PRO A 117 27.787 -7.439 18.415 1.00 31.43 N ATOM 1626 CA PRO A 117 28.898 -6.539 18.768 1.00 30.61 C ATOM 1627 C PRO A 117 30.106 -7.272 19.328 1.00 31.01 C ATOM 1628 O PRO A 117 29.964 -8.123 20.221 1.00 29.94 O ATOM 1629 CB PRO A 117 28.315 -5.685 19.885 1.00 32.43 C ATOM 1630 CG PRO A 117 26.840 -5.803 19.769 1.00 29.89 C ATOM 1631 CD PRO A 117 26.573 -7.148 19.204 1.00 30.21 C ATOM 1632 HA PRO A 117 29.247 -5.997 17.889 1.00 0.00 H ATOM 1633 HD3 PRO A 117 26.438 -7.884 19.997 1.00 0.00 H ATOM 1634 HD2 PRO A 117 25.688 -7.135 18.567 1.00 0.00 H ATOM 1635 HG3 PRO A 117 26.450 -5.031 19.106 1.00 0.00 H ATOM 1636 HG2 PRO A 117 26.375 -5.706 20.750 1.00 0.00 H ATOM 1637 HB2 PRO A 117 28.649 -6.052 20.855 1.00 0.00 H ATOM 1638 HB3 PRO A 117 28.622 -4.646 19.766 1.00 0.00 H ATOM 1639 N VAL A 118 31.288 -6.942 18.803 1.00 30.89 N ATOM 1640 CA VAL A 118 32.551 -7.471 19.338 1.00 29.92 C ATOM 1641 C VAL A 118 33.506 -6.364 19.844 1.00 31.50 C ATOM 1642 O VAL A 118 34.454 -6.622 20.605 1.00 32.46 O ATOM 1643 CB VAL A 118 33.287 -8.371 18.317 1.00 30.39 C ATOM 1644 CG1 VAL A 118 32.478 -9.629 18.050 1.00 29.27 C ATOM 1645 CG2 VAL A 118 33.637 -7.616 16.997 1.00 20.88 C ATOM 1646 HA VAL A 118 32.263 -8.079 20.196 1.00 0.00 H ATOM 1647 HB VAL A 118 34.241 -8.660 18.757 1.00 0.00 H ATOM 1648 HG11 VAL A 118 32.346 -10.179 18.982 1.00 0.00 H ATOM 1649 HG12 VAL A 118 31.503 -9.354 17.647 1.00 0.00 H ATOM 1650 HG13 VAL A 118 33.007 -10.254 17.330 1.00 0.00 H ATOM 1651 HG21 VAL A 118 32.719 -7.259 16.530 1.00 0.00 H ATOM 1652 HG22 VAL A 118 34.283 -6.769 17.225 1.00 0.00 H ATOM 1653 HG23 VAL A 118 34.152 -8.295 16.317 1.00 0.00 H ATOM 1654 H VAL A 118 31.316 -6.292 17.992 1.00 0.00 H ATOM 1655 N HIS A 119 33.264 -5.134 19.403 1.00 30.70 N ATOM 1656 CA HIS A 119 34.186 -4.048 19.683 1.00 29.60 C ATOM 1657 C HIS A 119 33.401 -2.750 19.866 1.00 29.12 C ATOM 1658 O HIS A 119 32.466 -2.472 19.107 1.00 31.39 O ATOM 1659 CB HIS A 119 35.224 -3.926 18.533 1.00 28.70 C ATOM 1660 CG HIS A 119 35.965 -2.622 18.521 1.00 26.75 C ATOM 1661 ND1 HIS A 119 36.953 -2.319 19.437 1.00 22.98 N ATOM 1662 CD2 HIS A 119 35.816 -1.516 17.744 1.00 26.44 C ATOM 1663 CE1 HIS A 119 37.402 -1.095 19.205 1.00 32.55 C ATOM 1664 NE2 HIS A 119 36.727 -0.582 18.187 1.00 31.35 N ATOM 1665 HA HIS A 119 34.731 -4.252 20.605 1.00 0.00 H ATOM 1666 HB2 HIS A 119 35.949 -4.733 18.638 1.00 0.00 H ATOM 1667 HB3 HIS A 119 34.699 -4.032 17.584 1.00 0.00 H ATOM 1668 HD2 HIS A 119 35.108 -1.392 16.924 1.00 0.00 H ATOM 1669 HE1 HIS A 119 38.195 -0.593 19.759 1.00 0.00 H ATOM 1670 H HIS A 119 32.403 -4.947 18.850 1.00 0.00 H ATOM 1671 N PHE A 120 33.804 -1.964 20.849 1.00 28.01 N ATOM 1672 CA PHE A 120 33.251 -0.642 21.106 1.00 27.33 C ATOM 1673 C PHE A 120 34.204 0.376 20.484 1.00 27.66 C ATOM 1674 O PHE A 120 35.354 0.423 20.876 1.00 27.97 O ATOM 1675 CB PHE A 120 33.124 -0.417 22.625 1.00 27.66 C ATOM 1676 CG PHE A 120 32.182 0.705 23.010 1.00 26.89 C ATOM 1677 CD1 PHE A 120 32.594 2.018 22.990 1.00 32.48 C ATOM 1678 CD2 PHE A 120 30.896 0.439 23.405 1.00 35.50 C ATOM 1679 CE1 PHE A 120 31.716 3.052 23.333 1.00 31.23 C ATOM 1680 CE2 PHE A 120 30.027 1.468 23.740 1.00 34.30 C ATOM 1681 CZ PHE A 120 30.447 2.766 23.708 1.00 27.47 C ATOM 1682 HA PHE A 120 32.256 -0.539 20.672 1.00 0.00 H ATOM 1683 HB2 PHE A 120 32.761 -1.339 23.078 1.00 0.00 H ATOM 1684 HB3 PHE A 120 34.113 -0.184 23.020 1.00 0.00 H ATOM 1685 HD2 PHE A 120 30.552 -0.594 23.457 1.00 0.00 H ATOM 1686 HE2 PHE A 120 29.002 1.238 24.031 1.00 0.00 H ATOM 1687 HZ PHE A 120 29.764 3.569 23.983 1.00 0.00 H ATOM 1688 HE1 PHE A 120 32.054 4.088 23.298 1.00 0.00 H ATOM 1689 HD1 PHE A 120 33.618 2.256 22.703 1.00 0.00 H ATOM 1690 H PHE A 120 34.559 -2.310 21.475 1.00 0.00 H ATOM 1691 N ASP A 121 33.737 1.153 19.496 1.00 27.14 N ATOM 1692 CA ASP A 121 34.565 2.124 18.796 1.00 26.73 C ATOM 1693 C ASP A 121 34.489 3.553 19.391 1.00 28.51 C ATOM 1694 O ASP A 121 35.497 4.253 19.515 1.00 29.42 O ATOM 1695 CB ASP A 121 34.174 2.186 17.335 1.00 24.41 C ATOM 1696 CG ASP A 121 35.384 2.260 16.413 1.00 30.24 C ATOM 1697 OD1 ASP A 121 36.349 1.499 16.667 1.00 22.14 O ATOM 1698 OD2 ASP A 121 35.367 3.041 15.416 1.00 30.06 O ATOM 1699 HA ASP A 121 35.592 1.777 18.914 1.00 0.00 H ATOM 1700 HB2 ASP A 121 33.599 1.293 17.088 1.00 0.00 H ATOM 1701 HB3 ASP A 121 33.557 3.070 17.175 1.00 0.00 H ATOM 1702 H ASP A 121 32.739 1.058 19.218 1.00 0.00 H ATOM 1703 N ALA A 122 33.300 4.017 19.718 1.00 28.13 N ATOM 1704 CA ALA A 122 33.192 5.368 20.225 1.00 29.79 C ATOM 1705 C ALA A 122 31.777 5.668 20.643 1.00 29.97 C ATOM 1706 O ALA A 122 30.877 4.871 20.454 1.00 29.48 O ATOM 1707 CB ALA A 122 33.655 6.370 19.172 1.00 28.66 C ATOM 1708 HA ALA A 122 33.836 5.457 21.100 1.00 0.00 H ATOM 1709 HB1 ALA A 122 34.695 6.169 18.914 1.00 0.00 H ATOM 1710 HB2 ALA A 122 33.033 6.273 18.282 1.00 0.00 H ATOM 1711 HB3 ALA A 122 33.567 7.381 19.570 1.00 0.00 H ATOM 1712 H ALA A 122 32.453 3.422 19.613 1.00 0.00 H ATOM 1713 N SER A 123 31.608 6.824 21.244 1.00 32.50 N ATOM 1714 CA SER A 123 30.288 7.347 21.518 1.00 34.83 C ATOM 1715 C SER A 123 30.286 8.747 20.970 1.00 34.72 C ATOM 1716 O SER A 123 31.307 9.422 20.982 1.00 35.00 O ATOM 1717 CB SER A 123 30.024 7.350 23.022 1.00 33.55 C ATOM 1718 OG SER A 123 31.019 8.136 23.633 1.00 39.48 O ATOM 1719 HA SER A 123 29.505 6.741 21.061 1.00 0.00 H ATOM 1720 HB2 SER A 123 30.067 6.332 23.408 1.00 0.00 H ATOM 1721 HB3 SER A 123 29.040 7.773 23.225 1.00 0.00 H ATOM 1722 HG SER A 123 30.869 8.154 24.611 1.00 0.00 H ATOM 1723 H SER A 123 32.442 7.375 21.529 1.00 0.00 H ATOM 1724 N VAL A 124 29.160 9.165 20.426 1.00 37.05 N ATOM 1725 CA VAL A 124 29.019 10.551 19.960 1.00 37.77 C ATOM 1726 C VAL A 124 27.723 11.101 20.481 1.00 37.76 C ATOM 1727 O VAL A 124 26.798 10.379 20.862 1.00 39.19 O ATOM 1728 CB VAL A 124 29.024 10.673 18.413 1.00 38.06 C ATOM 1729 CG1 VAL A 124 30.443 10.666 17.903 1.00 40.62 C ATOM 1730 CG2 VAL A 124 28.198 9.573 17.760 1.00 36.84 C ATOM 1731 HA VAL A 124 29.877 11.111 20.333 1.00 0.00 H ATOM 1732 OXT VAL A 124 27.556 12.291 20.515 1.00 38.75 O ATOM 1733 HB VAL A 124 28.559 11.621 18.143 1.00 0.00 H ATOM 1734 HG11 VAL A 124 30.986 11.508 18.333 1.00 0.00 H ATOM 1735 HG12 VAL A 124 30.927 9.733 18.193 1.00 0.00 H ATOM 1736 HG13 VAL A 124 30.438 10.752 16.816 1.00 0.00 H ATOM 1737 HG21 VAL A 124 28.611 8.601 18.030 1.00 0.00 H ATOM 1738 HG22 VAL A 124 27.167 9.640 18.107 1.00 0.00 H ATOM 1739 HG23 VAL A 124 28.227 9.693 16.677 1.00 0.00 H ATOM 1740 H VAL A 124 28.362 8.506 20.326 1.00 0.00 H TER 1741 VAL A 124 HETATM 1742 O HOH 1 35.232 -8.487 22.241 1.00 29.72 O HETATM 1743 O HOH 2 35.164 1.385 26.289 1.00 48.29 O HETATM 1744 O HOH 3 18.876 -0.362 19.529 1.00 30.81 O HETATM 1745 O HOH 4 19.231 0.572 9.562 1.00 27.81 O HETATM 1746 O HOH 5 32.806 7.233 11.314 1.00 38.65 O HETATM 1747 O HOH 6 32.109 -7.696 10.073 1.00 34.65 O HETATM 1748 O HOH 7 28.322 -9.006 22.212 1.00 33.92 O HETATM 1749 O HOH 8 33.621 5.007 14.612 1.00 28.70 O HETATM 1750 O HOH 9 32.396 7.130 25.439 1.00 39.61 O HETATM 1751 O HOH 10 38.207 0.363 14.789 1.00 28.16 O HETATM 1752 PG ATP A 11 38.752 -1.723 24.763 1.00 0.19 P HETATM 1753 O1G ATP A 11 40.090 -2.131 25.346 1.00 -0.61 O HETATM 1754 O2G ATP A 11 38.858 -0.689 23.668 1.00 -0.61 O HETATM 1755 O3G ATP A 11 37.637 -1.452 25.759 1.00 -0.61 O HETATM 1756 O3B ATP A 11 38.294 -3.114 24.062 1.00 -0.15 O HETATM 1757 PB ATP A 11 37.122 -3.225 22.964 1.00 0.36 P HETATM 1758 O1B ATP A 11 35.812 -3.521 23.637 1.00 -0.57 O HETATM 1759 O2B ATP A 11 37.240 -2.044 22.044 1.00 -0.57 O HETATM 1760 O3A ATP A 11 37.547 -4.510 22.117 1.00 -0.12 O HETATM 1761 PA ATP A 11 39.019 -4.698 21.498 1.00 0.33 P HETATM 1762 O1A ATP A 11 39.603 -3.354 21.104 1.00 -0.57 O HETATM 1763 O2A ATP A 11 39.771 -5.572 22.489 1.00 -0.57 O HETATM 1764 O5' ATP A 11 38.616 -5.522 20.165 1.00 -0.24 O HETATM 1765 C5' ATP A 11 37.913 -6.753 20.335 1.00 0.11 C HETATM 1766 C4' ATP A 11 37.828 -7.555 19.043 1.00 0.12 C HETATM 1767 O4' ATP A 11 36.974 -6.876 18.126 1.00 -0.34 O HETATM 1768 C1' ATP A 11 37.419 -7.185 16.788 1.00 0.20 C HETATM 1769 C2' ATP A 11 38.917 -7.403 16.858 1.00 0.14 C HETATM 1770 C3' ATP A 11 39.163 -7.783 18.317 1.00 0.11 C HETATM 1771 O3' ATP A 11 39.523 -9.170 18.432 1.00 -0.39 O HETATM 1772 H5 ATP A 11 38.846 -9.706 18.036 1.00 0.21 H HETATM 1773 H4 ATP A 11 39.956 -7.154 18.749 1.00 0.06 H HETATM 1774 O2' ATP A 11 39.126 -8.469 15.938 1.00 -0.38 O HETATM 1775 H7 ATP A 11 38.536 -9.184 16.145 1.00 0.21 H HETATM 1776 H6 ATP A 11 39.501 -6.514 16.577 1.00 0.07 H HETATM 1777 N9 ATP A 11 37.042 -6.166 15.760 1.00 -0.19 N HETATM 1778 C8 ATP A 11 36.189 -6.439 14.762 1.00 0.11 C HETATM 1779 N7 ATP A 11 35.982 -5.357 13.993 1.00 -0.30 N HETATM 1780 C5 ATP A 11 36.749 -4.381 14.489 1.00 0.10 C HETATM 1781 C6 ATP A 11 36.950 -2.998 14.098 1.00 0.13 C HETATM 1782 N6 ATP A 11 36.289 -2.563 12.986 1.00 -0.32 N HETATM 1783 H10 ATP A 11 36.400 -1.589 12.669 1.00 0.18 H HETATM 1784 H11 ATP A 11 35.679 -3.208 12.464 1.00 0.18 H HETATM 1785 N1 ATP A 11 37.773 -2.251 14.874 1.00 -0.27 N HETATM 1786 C2 ATP A 11 38.425 -2.769 15.957 1.00 0.05 C HETATM 1787 N3 ATP A 11 38.274 -4.051 16.371 1.00 -0.27 N HETATM 1788 C4 ATP A 11 37.442 -4.887 15.670 1.00 0.16 C HETATM 1789 H12 ATP A 11 39.096 -2.123 16.512 1.00 0.10 H HETATM 1790 H9 ATP A 11 35.725 -7.410 14.597 1.00 0.13 H HETATM 1791 H8 ATP A 11 36.947 -8.131 16.486 1.00 0.10 H HETATM 1792 H3 ATP A 11 37.398 -8.537 19.287 1.00 0.07 H HETATM 1793 H1 ATP A 11 36.893 -6.532 20.682 1.00 0.06 H HETATM 1794 H2 ATP A 11 38.435 -7.357 21.092 1.00 0.06 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 334 333 1174 CONECT 530 529 1312 CONECT 798 797 1533 CONECT 898 897 996 CONECT 996 898 995 CONECT 1174 334 1173 CONECT 1312 530 1311 CONECT 1533 798 1532 CONECT 1752 1753 1754 1755 1756 CONECT 1753 1752 CONECT 1754 1752 CONECT 1755 1752 CONECT 1756 1752 1757 CONECT 1757 1756 1758 1759 1760 CONECT 1758 1757 CONECT 1759 1757 CONECT 1760 1757 1761 CONECT 1761 1760 1762 1763 1764 CONECT 1762 1761 CONECT 1763 1761 CONECT 1764 1761 1765 CONECT 1765 1764 1766 1793 1794 CONECT 1766 1765 1767 1770 1792 CONECT 1767 1766 1768 CONECT 1768 1767 1769 1777 1791 CONECT 1769 1768 1770 1774 1776 CONECT 1770 1766 1769 1771 1773 CONECT 1771 1770 1772 CONECT 1772 1771 CONECT 1773 1770 CONECT 1774 1769 1775 CONECT 1775 1774 CONECT 1776 1769 CONECT 1777 1768 1778 1788 CONECT 1778 1777 1779 1790 CONECT 1779 1778 1780 CONECT 1780 1779 1781 1788 CONECT 1781 1780 1782 1785 CONECT 1782 1781 1783 1784 CONECT 1783 1782 CONECT 1784 1782 CONECT 1785 1781 1786 CONECT 1786 1785 1787 1789 CONECT 1787 1786 1788 CONECT 1788 1777 1780 1787 CONECT 1789 1786 CONECT 1790 1778 CONECT 1791 1768 CONECT 1792 1766 CONECT 1793 1765 CONECT 1794 1765 MASTER 0 0 0 0 0 0 0 0 1793 1 55 10 END
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Structure:
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Protein
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Related entries of code: 2w5i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1afk
RCSB PDB
PDBbind
124aa, >1AFK_1|Chains... at 99%
1afl
RCSB PDB
PDBbind
124aa, >1AFL_1|Chains... at 99%
1dfj
RCSB PDB
PDBbind
124aa, >1DFJ_1|Chain... at 99%
1j7z
RCSB PDB
PDBbind
104aa, >1J7Z_2|Chain... at 99%
1j80
RCSB PDB
PDBbind
104aa, >1J80_2|Chain... at 99%
1j81
RCSB PDB
PDBbind
104aa, >1J81_2|Chain... at 99%
1jn4
RCSB PDB
PDBbind
124aa, >1JN4_1|Chains... at 99%
1jvu
RCSB PDB
PDBbind
124aa, >1JVU_1|Chains... at 99%
1o0f
RCSB PDB
PDBbind
124aa, >1O0F_1|Chains... at 99%
1o0h
RCSB PDB
PDBbind
124aa, >1O0H_1|Chains... at 99%
1o0m
RCSB PDB
PDBbind
124aa, >1O0M_1|Chains... at 99%
1o0n
RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
124aa, >1RNM_1|Chain... at 99%
1rpf
RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
1w4o
RCSB PDB
PDBbind
124aa, >1W4O_1|Chains... at 99%
1w4p
RCSB PDB
PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
2xog
RCSB PDB
PDBbind
124aa, >2XOG_1|Chains... at 99%
2xoi
RCSB PDB
PDBbind
124aa, >2XOI_1|Chains... at 99%
3d6o
RCSB PDB
PDBbind
124aa, >3D6O_1|Chains... at 99%
3d6p
RCSB PDB
PDBbind
124aa, >3D6P_1|Chains... at 99%
3d6q
RCSB PDB
PDBbind
124aa, >3D6Q_1|Chains... at 99%
3d7b
RCSB PDB
PDBbind
124aa, >3D7B_1|Chains... at 99%
3d8y
RCSB PDB
PDBbind
124aa, >3D8Y_1|Chains... at 99%
3d8z
RCSB PDB
PDBbind
124aa, >3D8Z_1|Chains... at 99%
3dxg
RCSB PDB
PDBbind
124aa, >3DXG_1|Chains... at 99%
3dxh
RCSB PDB
PDBbind
124aa, >3DXH_1|Chains... at 99%
3lxo
RCSB PDB
PDBbind
124aa, >3LXO_1|Chain... at 99%
4g8v
RCSB PDB
PDBbind
124aa, >4G8V_1|Chains... at 99%
4g8y
RCSB PDB
PDBbind
124aa, >4G8Y_1|Chains... at 99%
4g90
RCSB PDB
PDBbind
124aa, >4G90_1|Chains... at 99%
4peq
RCSB PDB
PDBbind
124aa, >4PEQ_1|Chains... at 99%
4rsk
RCSB PDB
PDBbind
124aa, >4RSK_1|Chain... at 96%
4wyp
RCSB PDB
PDBbind
125aa, >4WYP_1|Chains... *
4wyz
RCSB PDB
PDBbind
125aa, >4WYZ_1|Chains... at 100%
6rsa
RCSB PDB
PDBbind
124aa, >6RSA_1|Chain... at 99%
6pvx
RCSB PDB
PDBbind
124aa, >6PVX_1|Chains... at 99%
6pvw
RCSB PDB
PDBbind
124aa, >6PVW_1|Chains... at 99%
6pvv
RCSB PDB
PDBbind
124aa, >6PVV_1|Chains... at 99%
6pvu
RCSB PDB
PDBbind
124aa, >6PVU_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1b38
RCSB PDB
PDBbind
ATP
1b39
RCSB PDB
PDBbind
ATP
1gz3
RCSB PDB
PDBbind
ATP
1gz4
RCSB PDB
PDBbind
ATP
1m83
RCSB PDB
PDBbind
ATP
1mau
RCSB PDB
PDBbind
ATP
1maw
RCSB PDB
PDBbind
ATP
1r0x
RCSB PDB
PDBbind
ATP
1r10
RCSB PDB
PDBbind
ATP
1vjc
RCSB PDB
PDBbind
ATP
1vjd
RCSB PDB
PDBbind
ATP
1xsc
RCSB PDB
PDBbind
ATP
1y8p
RCSB PDB
PDBbind
ATP
1yid
RCSB PDB
PDBbind
ATP
2cbz
RCSB PDB
PDBbind
ATP
2e5y
RCSB PDB
PDBbind
ATP
2fgh
RCSB PDB
PDBbind
ATP
2hmu
RCSB PDB
PDBbind
ATP
2hmw
RCSB PDB
PDBbind
ATP
2j9l
RCSB PDB
PDBbind
ATP
2kmx
RCSB PDB
PDBbind
ATP
2p09
RCSB PDB
PDBbind
ATP
2p0x
RCSB PDB
PDBbind
ATP
2pze
RCSB PDB
PDBbind
ATP
2vhq
RCSB PDB
PDBbind
ATP
2vt3
RCSB PDB
PDBbind
ATP
2w5g
RCSB PDB
PDBbind
ATP
2xbp
RCSB PDB
PDBbind
ATP
2ych
RCSB PDB
PDBbind
ATP
3b2q
RCSB PDB
PDBbind
ATP
3d2e
RCSB PDB
PDBbind
ATP
3dgl
RCSB PDB
PDBbind
ATP
3dgo
RCSB PDB
PDBbind
ATP
3dnt
RCSB PDB
PDBbind
ATP
3efs
RCSB PDB
PDBbind
ATP
3lf0
RCSB PDB
PDBbind
ATP
3ncq
RCSB PDB
PDBbind
ATP
3qo3
RCSB PDB
PDBbind
ATP
3qx9
RCSB PDB
PDBbind
ATP
3qxc
RCSB PDB
PDBbind
ATP
3ta0
RCSB PDB
PDBbind
ATP
3umo
RCSB PDB
PDBbind
ATP
3ump
RCSB PDB
PDBbind
ATP
4fut
RCSB PDB
PDBbind
ATP
4fvq
RCSB PDB
PDBbind
ATP
4fvr
RCSB PDB
PDBbind
ATP
4jn4
RCSB PDB
PDBbind
ATP
4jne
RCSB PDB
PDBbind
ATP
4k8o
RCSB PDB
PDBbind
ATP
4ozn
RCSB PDB
PDBbind
ATP
4usw
RCSB PDB
PDBbind
ATP
4wz6
RCSB PDB
PDBbind
ATP
4yb7
RCSB PDB
PDBbind
ATP
5d6j
RCSB PDB
PDBbind
ATP
5eou
RCSB PDB
PDBbind
ATP
5f1c
RCSB PDB
PDBbind
ATP
5f1x
RCSB PDB
PDBbind
ATP
5ldk
RCSB PDB
PDBbind
ATP
5ldp
RCSB PDB
PDBbind
ATP
5svk
RCSB PDB
PDBbind
ATP
5svl
RCSB PDB
PDBbind
ATP
5tgc
RCSB PDB
PDBbind
ATP
5v2l
RCSB PDB
PDBbind
ATP
5wrs
RCSB PDB
PDBbind
ATP
5x9h
RCSB PDB
PDBbind
ATP
5z68
RCSB PDB
PDBbind
ATP
6cvv
RCSB PDB
PDBbind
ATP
6r4s
RCSB PDB
PDBbind
ATP
6ntb
RCSB PDB
PDBbind
ATP
6mm2
RCSB PDB
PDBbind
ATP
6h78
RCSB PDB
PDBbind
ATP
6h77
RCSB PDB
PDBbind
ATP
6aec
RCSB PDB
PDBbind
ATP
5xvu
RCSB PDB
PDBbind
ATP
Entry Information
PDB ID
2w5i
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
RIBONUCLEASE PANCREATIC
Ligand Name
ATP
EC.Number
E.C.3.1.27.5
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Ki=29uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Biopolymers Vol. 91: pp. 995-1008
Ligand Properties
Formula
C
1
0
H
1
9
N
5
O
1
3
P
3
Molecular Weight
510.205
Exact Mass
510.019
No. of atoms
50
No. of bonds
52
Polar Surface Area
329.38
LOGP Value
-6.07 (
Computed with XLOGP3
)
-2.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(OP(O)(O)O)(O)O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H22N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-24,29-31H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/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):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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