Browse entries in the PDBbind-CN Database
HEADER 3D8Y_COMPLEX COMPND 3D8Y_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HET T A 3S 46 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 LYS A 1 34.983 21.435 9.782 1.00 19.57 N ATOM 2 CA LYS A 1 35.697 20.178 10.153 1.00 19.50 C ATOM 3 C LYS A 1 34.722 19.056 10.514 1.00 18.81 C ATOM 4 O LYS A 1 33.606 19.308 10.990 1.00 18.50 O ATOM 5 CB LYS A 1 36.693 20.425 11.295 1.00 19.59 C ATOM 6 CG LYS A 1 36.067 20.965 12.575 1.00 20.33 C ATOM 7 CD LYS A 1 37.119 21.244 13.642 1.00 20.50 C ATOM 8 CE LYS A 1 36.475 21.693 14.950 1.00 21.59 C ATOM 9 NZ LYS A 1 35.477 20.697 15.447 1.00 21.36 N ATOM 10 HA LYS A 1 36.257 19.855 9.276 1.00 0.00 H ATOM 11 HB2 LYS A 1 37.185 19.481 11.528 1.00 0.00 H ATOM 12 HB3 LYS A 1 37.436 21.144 10.950 1.00 0.00 H ATOM 13 HG2 LYS A 1 35.540 21.891 12.347 1.00 0.00 H ATOM 14 HG3 LYS A 1 35.359 20.231 12.960 1.00 0.00 H ATOM 15 HD2 LYS A 1 37.693 20.335 13.822 1.00 0.00 H ATOM 16 HD3 LYS A 1 37.786 22.029 13.287 1.00 0.00 H ATOM 17 HE2 LYS A 1 35.972 22.646 14.787 1.00 0.00 H ATOM 18 HE3 LYS A 1 37.254 21.818 15.702 1.00 0.00 H ATOM 19 HZ1 LYS A 1 34.727 20.576 14.737 1.00 0.00 H ATOM 20 HZ2 LYS A 1 35.951 19.786 15.611 1.00 0.00 H ATOM 21 HZ3 LYS A 1 35.062 21.039 16.337 1.00 0.00 H ATOM 22 HN3 LYS A 1 34.402 21.752 10.584 1.00 0.00 H ATOM 23 HN2 LYS A 1 34.372 21.255 8.960 1.00 0.00 H ATOM 24 HN1 LYS A 1 35.679 22.170 9.544 1.00 0.00 H ATOM 25 N GLU A 2 35.171 17.823 10.283 1.00 18.17 N ATOM 26 CA GLU A 2 34.366 16.624 10.468 1.00 17.25 C ATOM 27 C GLU A 2 34.300 16.207 11.935 1.00 16.89 C ATOM 28 O GLU A 2 35.329 15.919 12.556 1.00 16.94 O ATOM 29 CB GLU A 2 34.939 15.481 9.615 1.00 17.31 C ATOM 30 CG GLU A 2 34.092 14.223 9.593 1.00 17.08 C ATOM 31 CD GLU A 2 34.660 13.123 8.710 1.00 16.78 C ATOM 32 OE1 GLU A 2 35.837 12.736 8.885 1.00 15.62 O ATOM 33 OE2 GLU A 2 33.898 12.610 7.868 1.00 17.52 O ATOM 34 HA GLU A 2 33.349 16.847 10.146 1.00 0.00 H ATOM 35 HB2 GLU A 2 35.042 15.840 8.591 1.00 0.00 H ATOM 36 HB3 GLU A 2 35.922 15.222 10.009 1.00 0.00 H ATOM 37 HG2 GLU A 2 34.013 13.842 10.611 1.00 0.00 H ATOM 38 HG3 GLU A 2 33.099 14.482 9.226 1.00 0.00 H ATOM 39 H GLU A 2 36.151 17.711 9.952 1.00 0.00 H ATOM 40 N THR A 3 33.086 16.180 12.482 1.00 16.14 N ATOM 41 CA THR A 3 32.854 15.689 13.847 1.00 15.53 C ATOM 42 C THR A 3 33.023 14.168 13.897 1.00 15.10 C ATOM 43 O THR A 3 32.984 13.494 12.854 1.00 14.94 O ATOM 44 CB THR A 3 31.435 16.044 14.370 1.00 15.56 C ATOM 45 OG1 THR A 3 30.445 15.348 13.592 1.00 16.27 O ATOM 46 CG2 THR A 3 31.182 17.544 14.330 1.00 15.10 C ATOM 47 HA THR A 3 33.589 16.180 14.485 1.00 0.00 H ATOM 48 HB THR A 3 31.367 15.729 15.411 1.00 0.00 H ATOM 49 HG1 THR A 3 29.542 15.577 13.928 1.00 0.00 H ATOM 50 HG23 THR A 3 31.940 18.055 14.924 1.00 0.00 H ATOM 51 HG21 THR A 3 31.231 17.892 13.298 1.00 0.00 H ATOM 52 HG22 THR A 3 30.194 17.756 14.740 1.00 0.00 H ATOM 53 H THR A 3 32.276 16.518 11.924 1.00 0.00 H ATOM 54 N ALA A 4 33.222 13.638 15.106 1.00 14.87 N ATOM 55 CA ALA A 4 33.322 12.184 15.319 1.00 14.67 C ATOM 56 C ALA A 4 32.077 11.451 14.809 1.00 14.37 C ATOM 57 O ALA A 4 32.189 10.395 14.189 1.00 14.83 O ATOM 58 CB ALA A 4 33.566 11.866 16.796 1.00 14.36 C ATOM 59 HA ALA A 4 34.175 11.828 14.742 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.496 12.334 17.118 1.00 0.00 H ATOM 61 HB2 ALA A 4 32.739 12.253 17.391 1.00 0.00 H ATOM 62 HB3 ALA A 4 33.636 10.786 16.927 1.00 0.00 H ATOM 63 H ALA A 4 33.309 14.273 15.925 1.00 0.00 H ATOM 64 N ALA A 5 30.899 12.020 15.065 1.00 14.38 N ATOM 65 CA ALA A 5 29.628 11.452 14.587 1.00 13.83 C ATOM 66 C ALA A 5 29.543 11.397 13.054 1.00 14.04 C ATOM 67 O ALA A 5 29.084 10.394 12.476 1.00 13.22 O ATOM 68 CB ALA A 5 28.449 12.230 15.160 1.00 14.19 C ATOM 69 HA ALA A 5 29.586 10.422 14.943 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.475 12.177 16.248 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.514 13.271 14.844 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.518 11.796 14.796 1.00 0.00 H ATOM 73 H ALA A 5 30.877 12.897 15.623 1.00 0.00 H ATOM 74 N ALA A 6 29.998 12.469 12.406 1.00 13.27 N ATOM 75 CA ALA A 6 30.044 12.539 10.947 1.00 13.24 C ATOM 76 C ALA A 6 31.049 11.544 10.362 1.00 13.24 C ATOM 77 O ALA A 6 30.785 10.918 9.336 1.00 13.36 O ATOM 78 CB ALA A 6 30.371 13.955 10.494 1.00 13.47 C ATOM 79 HA ALA A 6 29.057 12.266 10.573 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.604 14.638 10.859 1.00 0.00 H ATOM 81 HB2 ALA A 6 31.341 14.248 10.895 1.00 0.00 H ATOM 82 HB3 ALA A 6 30.401 13.989 9.405 1.00 0.00 H ATOM 83 H ALA A 6 30.332 13.285 12.958 1.00 0.00 H ATOM 84 N LYS A 7 32.197 11.398 11.015 1.00 12.89 N ATOM 85 CA LYS A 7 33.196 10.417 10.585 1.00 13.03 C ATOM 86 C LYS A 7 32.612 9.004 10.666 1.00 12.83 C ATOM 87 O LYS A 7 32.819 8.194 9.761 1.00 12.68 O ATOM 88 CB LYS A 7 34.467 10.524 11.425 1.00 13.17 C ATOM 89 CG LYS A 7 35.615 9.654 10.915 1.00 14.70 C ATOM 90 CD LYS A 7 36.832 9.787 11.796 1.00 16.85 C ATOM 91 CE LYS A 7 37.911 8.817 11.365 1.00 17.37 C ATOM 92 NZ LYS A 7 39.226 9.135 11.986 1.00 19.74 N ATOM 93 HA LYS A 7 33.463 10.628 9.550 1.00 0.00 H ATOM 94 HB2 LYS A 7 34.795 11.563 11.422 1.00 0.00 H ATOM 95 HB3 LYS A 7 34.232 10.221 12.445 1.00 0.00 H ATOM 96 HG2 LYS A 7 35.295 8.612 10.905 1.00 0.00 H ATOM 97 HG3 LYS A 7 35.873 9.963 9.902 1.00 0.00 H ATOM 98 HD2 LYS A 7 37.216 10.805 11.726 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.552 9.576 12.828 1.00 0.00 H ATOM 100 HE2 LYS A 7 38.013 8.863 10.281 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.617 7.809 11.659 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.518 10.093 11.705 1.00 0.00 H ATOM 103 HZ2 LYS A 7 39.140 9.087 13.021 1.00 0.00 H ATOM 104 HZ3 LYS A 7 39.936 8.446 11.664 1.00 0.00 H ATOM 105 H LYS A 7 32.390 11.991 11.847 1.00 0.00 H ATOM 106 N PHE A 8 31.858 8.726 11.731 1.00 12.72 N ATOM 107 CA PHE A 8 31.170 7.441 11.849 1.00 12.24 C ATOM 108 C PHE A 8 30.210 7.203 10.675 1.00 12.48 C ATOM 109 O PHE A 8 30.210 6.130 10.076 1.00 12.82 O ATOM 110 CB PHE A 8 30.418 7.299 13.187 1.00 12.29 C ATOM 111 CG PHE A 8 29.679 6.001 13.297 1.00 11.49 C ATOM 112 CD1 PHE A 8 28.386 5.869 12.772 1.00 10.48 C ATOM 113 CD2 PHE A 8 30.290 4.895 13.871 1.00 11.42 C ATOM 114 CE1 PHE A 8 27.723 4.650 12.808 1.00 11.25 C ATOM 115 CE2 PHE A 8 29.620 3.678 13.952 1.00 11.25 C ATOM 116 CZ PHE A 8 28.334 3.553 13.419 1.00 12.20 C ATOM 117 HA PHE A 8 31.947 6.677 11.822 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.140 7.360 14.002 1.00 0.00 H ATOM 119 HB3 PHE A 8 29.703 8.117 13.274 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.304 4.980 14.262 1.00 0.00 H ATOM 121 HE2 PHE A 8 30.098 2.823 14.431 1.00 0.00 H ATOM 122 HZ PHE A 8 27.808 2.600 13.480 1.00 0.00 H ATOM 123 HE1 PHE A 8 26.733 4.550 12.363 1.00 0.00 H ATOM 124 HD1 PHE A 8 27.894 6.735 12.329 1.00 0.00 H ATOM 125 H PHE A 8 31.758 9.433 12.487 1.00 0.00 H ATOM 126 N GLU A 9 29.387 8.198 10.356 1.00 12.74 N ATOM 127 CA GLU A 9 28.496 8.094 9.206 1.00 13.47 C ATOM 128 C GLU A 9 29.263 7.872 7.897 1.00 12.78 C ATOM 129 O GLU A 9 28.851 7.054 7.072 1.00 13.45 O ATOM 130 CB GLU A 9 27.578 9.311 9.119 1.00 13.47 C ATOM 131 CG GLU A 9 26.587 9.390 10.293 1.00 14.58 C ATOM 132 CD GLU A 9 25.606 10.542 10.170 1.00 15.40 C ATOM 133 OE1 GLU A 9 25.170 10.840 9.029 1.00 17.84 O ATOM 134 OE2 GLU A 9 25.271 11.140 11.218 1.00 17.11 O ATOM 135 HA GLU A 9 27.874 7.211 9.355 1.00 0.00 H ATOM 136 HB2 GLU A 9 28.191 10.212 9.118 1.00 0.00 H ATOM 137 HB3 GLU A 9 27.013 9.257 8.188 1.00 0.00 H ATOM 138 HG2 GLU A 9 26.024 8.458 10.335 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.153 9.513 11.217 1.00 0.00 H ATOM 140 H GLU A 9 29.379 9.062 10.935 1.00 0.00 H ATOM 141 N ARG A 10 30.377 8.582 7.714 1.00 13.17 N ATOM 142 CA ARG A 10 31.168 8.426 6.488 1.00 13.27 C ATOM 143 C ARG A 10 31.790 7.033 6.386 1.00 13.43 C ATOM 144 O ARG A 10 31.758 6.400 5.325 1.00 13.38 O ATOM 145 CB ARG A 10 32.262 9.493 6.393 1.00 13.22 C ATOM 146 CG ARG A 10 33.139 9.352 5.160 1.00 12.49 C ATOM 147 CD ARG A 10 34.138 10.483 5.028 1.00 13.18 C ATOM 148 NE ARG A 10 34.942 10.727 6.227 1.00 13.55 N ATOM 149 CZ ARG A 10 36.082 10.108 6.531 1.00 14.62 C ATOM 150 NH1 ARG A 10 36.572 9.163 5.745 1.00 15.25 N ATOM 151 NH2 ARG A 10 36.737 10.436 7.638 1.00 15.31 N ATOM 152 HA ARG A 10 30.480 8.554 5.652 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.787 10.474 6.369 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.895 9.419 7.277 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.683 8.410 5.223 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.501 9.343 4.276 1.00 0.00 H ATOM 157 HD2 ARG A 10 33.590 11.396 4.794 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.814 10.246 4.207 1.00 0.00 H ATOM 159 HE ARG A 10 34.595 11.443 6.897 1.00 0.00 H ATOM 160 HH12 ARG A 10 37.463 8.689 5.995 1.00 0.00 H ATOM 161 HH11 ARG A 10 36.066 8.895 4.877 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.627 9.954 7.878 1.00 0.00 H ATOM 163 HH21 ARG A 10 36.360 11.175 8.266 1.00 0.00 H ATOM 164 H ARG A 10 30.688 9.252 8.446 1.00 0.00 H ATOM 165 N GLN A 11 32.362 6.561 7.490 1.00 13.66 N ATOM 166 CA GLN A 11 33.049 5.273 7.481 1.00 13.70 C ATOM 167 C GLN A 11 32.110 4.071 7.529 1.00 13.95 C ATOM 168 O GLN A 11 32.447 3.020 6.984 1.00 14.80 O ATOM 169 CB GLN A 11 34.030 5.183 8.648 1.00 13.72 C ATOM 170 CG GLN A 11 35.161 6.211 8.616 1.00 14.41 C ATOM 171 CD GLN A 11 36.294 5.825 9.544 1.00 15.32 C ATOM 172 OE1 GLN A 11 37.439 5.658 9.116 1.00 17.15 O ATOM 173 NE2 GLN A 11 35.979 5.669 10.819 1.00 14.89 N ATOM 174 HA GLN A 11 33.576 5.231 6.528 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.471 5.323 9.573 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.475 4.188 8.641 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.546 6.282 7.599 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.767 7.180 8.923 1.00 0.00 H ATOM 179 HE22 GLN A 11 35.000 5.821 11.135 1.00 0.00 H ATOM 180 HE21 GLN A 11 36.710 5.395 11.506 1.00 0.00 H ATOM 181 H GLN A 11 32.319 7.115 8.369 1.00 0.00 H ATOM 182 N HIS A 12 30.936 4.215 8.155 1.00 13.85 N ATOM 183 CA HIS A 12 30.172 3.027 8.565 1.00 13.29 C ATOM 184 C HIS A 12 28.693 2.946 8.198 1.00 13.97 C ATOM 185 O HIS A 12 28.069 1.898 8.410 1.00 13.94 O ATOM 186 CB HIS A 12 30.323 2.790 10.086 1.00 12.48 C ATOM 187 CG HIS A 12 31.739 2.617 10.539 1.00 11.63 C ATOM 188 ND1 HIS A 12 32.532 1.570 10.122 1.00 11.29 N ATOM 189 CD2 HIS A 12 32.497 3.348 11.389 1.00 10.50 C ATOM 190 CE1 HIS A 12 33.722 1.669 10.689 1.00 11.53 C ATOM 191 NE2 HIS A 12 33.730 2.744 11.457 1.00 10.11 N ATOM 192 HA HIS A 12 30.630 2.244 7.961 1.00 0.00 H ATOM 193 HB2 HIS A 12 29.898 3.646 10.610 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.766 1.891 10.350 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.188 4.248 11.921 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.555 0.981 10.547 1.00 0.00 H ATOM 197 H HIS A 12 30.564 5.166 8.351 1.00 0.00 H ATOM 198 N MET A 13 28.128 4.037 7.681 1.00 13.81 N ATOM 199 CA MET A 13 26.714 4.074 7.334 1.00 14.71 C ATOM 200 C MET A 13 26.515 3.959 5.827 1.00 15.07 C ATOM 201 O MET A 13 27.094 4.728 5.059 1.00 14.99 O ATOM 202 CB MET A 13 26.057 5.357 7.847 1.00 14.87 C ATOM 203 CG MET A 13 25.825 5.408 9.369 1.00 15.11 C ATOM 204 SD MET A 13 24.843 4.056 10.054 1.00 15.55 S ATOM 205 CE MET A 13 23.280 4.231 9.181 1.00 16.31 C ATOM 206 HA MET A 13 26.238 3.219 7.815 1.00 0.00 H ATOM 207 HB2 MET A 13 26.696 6.197 7.574 1.00 0.00 H ATOM 208 HB3 MET A 13 25.091 5.462 7.354 1.00 0.00 H ATOM 209 HG2 MET A 13 25.315 6.343 9.600 1.00 0.00 H ATOM 210 HG3 MET A 13 26.799 5.396 9.858 1.00 0.00 H ATOM 211 HE1 MET A 13 22.855 5.213 9.392 1.00 0.00 H ATOM 212 HE2 MET A 13 23.451 4.130 8.109 1.00 0.00 H ATOM 213 HE3 MET A 13 22.590 3.456 9.515 1.00 0.00 H ATOM 214 H MET A 13 28.711 4.883 7.521 1.00 0.00 H ATOM 215 N ASP A 14 25.715 2.978 5.415 1.00 15.44 N ATOM 216 CA ASP A 14 25.245 2.894 4.031 1.00 15.38 C ATOM 217 C ASP A 14 23.801 2.411 3.956 1.00 15.84 C ATOM 218 O ASP A 14 23.530 1.251 3.623 1.00 14.70 O ATOM 219 CB ASP A 14 26.150 2.019 3.161 1.00 15.60 C ATOM 220 CG ASP A 14 25.760 2.079 1.690 1.00 16.22 C ATOM 221 OD1 ASP A 14 25.111 3.074 1.291 1.00 18.30 O ATOM 222 OD2 ASP A 14 26.077 1.141 0.935 1.00 15.66 O ATOM 223 HA ASP A 14 25.287 3.907 3.632 1.00 0.00 H ATOM 224 HB2 ASP A 14 27.179 2.363 3.267 1.00 0.00 H ATOM 225 HB3 ASP A 14 26.076 0.987 3.503 1.00 0.00 H ATOM 226 H ASP A 14 25.415 2.251 6.095 1.00 0.00 H ATOM 227 N SER A 15 22.882 3.326 4.248 1.00 16.78 N ATOM 228 CA SER A 15 21.456 3.029 4.239 1.00 18.76 C ATOM 229 C SER A 15 20.840 2.812 2.843 1.00 21.05 C ATOM 230 O SER A 15 19.697 2.352 2.761 1.00 20.53 O ATOM 231 CB SER A 15 20.686 4.144 4.963 1.00 18.49 C ATOM 232 OG SER A 15 21.190 4.391 6.259 1.00 17.68 O ATOM 233 HA SER A 15 21.362 2.075 4.757 1.00 0.00 H ATOM 234 HB2 SER A 15 19.639 3.852 5.044 1.00 0.00 H ATOM 235 HB3 SER A 15 20.762 5.060 4.377 1.00 0.00 H ATOM 236 HG SER A 15 21.119 3.566 6.802 1.00 0.00 H ATOM 237 H SER A 15 23.192 4.288 4.492 1.00 0.00 H ATOM 238 N SER A 16 21.575 3.117 1.761 1.00 24.09 N ATOM 239 CA SER A 16 20.998 3.117 0.396 1.00 27.59 C ATOM 240 C SER A 16 20.669 1.746 -0.202 1.00 28.22 C ATOM 241 O SER A 16 19.682 1.614 -0.945 1.00 28.66 O ATOM 242 CB SER A 16 21.904 3.863 -0.591 1.00 27.69 C ATOM 243 OG SER A 16 22.041 5.420 0.107 1.00 32.23 O ATOM 244 HA SER A 16 20.045 3.626 0.537 1.00 0.00 H ATOM 245 HB2 SER A 16 21.447 3.916 -1.579 1.00 0.00 H ATOM 246 HB3 SER A 16 22.879 3.381 -0.668 1.00 0.00 H ATOM 247 HG SER A 16 22.616 5.987 -0.465 1.00 0.00 H ATOM 248 H SER A 16 22.579 3.360 1.885 1.00 0.00 H ATOM 249 N THR A 17 21.512 0.754 0.077 1.00 29.83 N ATOM 250 CA THR A 17 21.241 -0.633 -0.316 1.00 30.42 C ATOM 251 C THR A 17 20.878 -1.458 0.921 1.00 31.04 C ATOM 252 O THR A 17 21.441 -1.253 2.000 1.00 30.84 O ATOM 253 CB THR A 17 22.413 -1.275 -1.109 1.00 30.76 C ATOM 254 OG1 THR A 17 21.958 -2.463 -1.779 1.00 31.26 O ATOM 255 CG2 THR A 17 23.607 -1.610 -0.194 1.00 29.41 C ATOM 256 HA THR A 17 20.392 -0.625 -1.000 1.00 0.00 H ATOM 257 HB THR A 17 22.754 -0.547 -1.845 1.00 0.00 H ATOM 258 HG1 THR A 17 22.710 -2.866 -2.281 1.00 0.00 H ATOM 259 HG23 THR A 17 23.944 -0.703 0.309 1.00 0.00 H ATOM 260 HG21 THR A 17 23.299 -2.346 0.549 1.00 0.00 H ATOM 261 HG22 THR A 17 24.420 -2.017 -0.795 1.00 0.00 H ATOM 262 H THR A 17 22.391 0.969 0.590 1.00 0.00 H ATOM 263 N SER A 18 19.914 -2.361 0.761 1.00 31.54 N ATOM 264 CA SER A 18 19.496 -3.246 1.844 1.00 32.19 C ATOM 265 C SER A 18 20.556 -4.317 2.091 1.00 32.40 C ATOM 266 O SER A 18 20.904 -4.600 3.238 1.00 32.57 O ATOM 267 CB SER A 18 18.141 -3.889 1.531 1.00 32.11 C ATOM 268 OG SER A 18 17.077 -2.975 1.746 1.00 32.88 O ATOM 269 HA SER A 18 19.385 -2.651 2.751 1.00 0.00 H ATOM 270 HB2 SER A 18 18.001 -4.756 2.176 1.00 0.00 H ATOM 271 HB3 SER A 18 18.131 -4.208 0.489 1.00 0.00 H ATOM 272 HG SER A 18 16.216 -3.417 1.536 1.00 0.00 H ATOM 273 H SER A 18 19.444 -2.439 -0.164 1.00 0.00 H ATOM 274 N ALA A 19 21.072 -4.892 1.005 1.00 32.90 N ATOM 275 CA ALA A 19 22.080 -5.952 1.062 1.00 32.98 C ATOM 276 C ALA A 19 22.193 -6.627 -0.294 1.00 33.19 C ATOM 277 O ALA A 19 21.798 -7.787 -0.465 1.00 33.52 O ATOM 278 CB ALA A 19 21.735 -6.980 2.137 1.00 33.47 C ATOM 279 HA ALA A 19 23.039 -5.503 1.322 1.00 0.00 H ATOM 280 HB1 ALA A 19 21.691 -6.487 3.108 1.00 0.00 H ATOM 281 HB2 ALA A 19 20.768 -7.429 1.911 1.00 0.00 H ATOM 282 HB3 ALA A 19 22.501 -7.755 2.156 1.00 0.00 H ATOM 283 H ALA A 19 20.743 -4.572 0.072 1.00 0.00 H ATOM 284 N ALA A 20 22.709 -5.878 -1.262 1.00 32.72 N ATOM 285 CA ALA A 20 23.032 -6.420 -2.567 1.00 32.47 C ATOM 286 C ALA A 20 24.540 -6.551 -2.620 1.00 32.07 C ATOM 287 O ALA A 20 25.078 -7.491 -3.224 1.00 31.84 O ATOM 288 CB ALA A 20 22.559 -5.485 -3.643 1.00 32.65 C ATOM 289 HA ALA A 20 22.547 -7.383 -2.725 1.00 0.00 H ATOM 290 HB1 ALA A 20 21.479 -5.358 -3.564 1.00 0.00 H ATOM 291 HB2 ALA A 20 23.049 -4.519 -3.524 1.00 0.00 H ATOM 292 HB3 ALA A 20 22.807 -5.902 -4.619 1.00 0.00 H ATOM 293 H ALA A 20 22.887 -4.870 -1.078 1.00 0.00 H ATOM 294 N SER A 21 25.206 -5.587 -1.980 1.00 31.49 N ATOM 295 CA SER A 21 26.658 -5.523 -1.886 1.00 31.00 C ATOM 296 C SER A 21 27.307 -6.415 -2.928 1.00 30.28 C ATOM 297 O SER A 21 27.786 -7.517 -2.616 1.00 30.94 O ATOM 298 CB SER A 21 27.122 -5.894 -0.476 1.00 30.81 C ATOM 299 OG SER A 21 26.417 -5.135 0.494 1.00 32.51 O ATOM 300 HA SER A 21 26.970 -4.498 -2.086 1.00 0.00 H ATOM 301 HB2 SER A 21 28.189 -5.692 -0.384 1.00 0.00 H ATOM 302 HB3 SER A 21 26.938 -6.955 -0.305 1.00 0.00 H ATOM 303 HG SER A 21 26.729 -5.387 1.399 1.00 0.00 H ATOM 304 H SER A 21 24.654 -4.835 -1.520 1.00 0.00 H ATOM 305 N SER A 22 27.291 -5.947 -4.175 1.00 29.12 N ATOM 306 CA SER A 22 27.920 -6.673 -5.277 1.00 28.07 C ATOM 307 C SER A 22 29.368 -7.009 -4.918 1.00 26.73 C ATOM 308 O SER A 22 29.920 -6.431 -3.984 1.00 26.59 O ATOM 309 CB SER A 22 27.857 -5.859 -6.578 1.00 28.37 C ATOM 310 OG SER A 22 28.885 -4.883 -6.653 1.00 29.68 O ATOM 311 HA SER A 22 27.373 -7.601 -5.440 1.00 0.00 H ATOM 312 HB2 SER A 22 26.891 -5.356 -6.631 1.00 0.00 H ATOM 313 HB3 SER A 22 27.957 -6.540 -7.423 1.00 0.00 H ATOM 314 HG SER A 22 28.804 -4.385 -7.505 1.00 0.00 H ATOM 315 H SER A 22 26.819 -5.041 -4.370 1.00 0.00 H ATOM 316 N SER A 23 29.962 -7.953 -5.642 1.00 24.93 N ATOM 317 CA SER A 23 31.378 -8.296 -5.493 1.00 23.46 C ATOM 318 C SER A 23 32.263 -7.038 -5.571 1.00 22.51 C ATOM 319 O SER A 23 33.347 -6.990 -4.989 1.00 22.26 O ATOM 320 CB SER A 23 31.810 -9.337 -6.535 1.00 23.57 C ATOM 321 OG SER A 23 31.597 -8.877 -7.857 1.00 21.99 O ATOM 322 HA SER A 23 31.510 -8.739 -4.506 1.00 0.00 H ATOM 323 HB2 SER A 23 31.235 -10.250 -6.382 1.00 0.00 H ATOM 324 HB3 SER A 23 32.871 -9.551 -6.402 1.00 0.00 H ATOM 325 HG SER A 23 31.887 -9.573 -8.498 1.00 0.00 H ATOM 326 H SER A 23 29.396 -8.470 -6.345 1.00 0.00 H ATOM 327 N ASN A 24 31.777 -6.027 -6.291 1.00 21.21 N ATOM 328 CA ASN A 24 32.494 -4.764 -6.476 1.00 19.71 C ATOM 329 C ASN A 24 32.357 -3.809 -5.299 1.00 18.08 C ATOM 330 O ASN A 24 33.101 -2.840 -5.216 1.00 17.62 O ATOM 331 CB ASN A 24 31.980 -4.033 -7.723 1.00 20.02 C ATOM 332 CG ASN A 24 32.273 -4.772 -9.004 1.00 21.66 C ATOM 333 OD1 ASN A 24 33.419 -5.136 -9.286 1.00 23.53 O ATOM 334 ND2 ASN A 24 31.240 -4.973 -9.812 1.00 22.68 N ATOM 335 HA ASN A 24 33.544 -5.041 -6.576 1.00 0.00 H ATOM 336 HB2 ASN A 24 30.901 -3.909 -7.633 1.00 0.00 H ATOM 337 HB3 ASN A 24 32.454 -3.053 -7.771 1.00 0.00 H ATOM 338 HD22 ASN A 24 30.292 -4.649 -9.534 1.00 0.00 H ATOM 339 HD21 ASN A 24 31.379 -5.454 -10.724 1.00 0.00 H ATOM 340 H ASN A 24 30.847 -6.140 -6.742 1.00 0.00 H ATOM 341 N TYR A 25 31.398 -4.091 -4.412 1.00 16.49 N ATOM 342 CA TYR A 25 30.924 -3.140 -3.398 1.00 14.97 C ATOM 343 C TYR A 25 32.034 -2.481 -2.586 1.00 14.21 C ATOM 344 O TYR A 25 32.120 -1.251 -2.527 1.00 13.94 O ATOM 345 CB TYR A 25 29.930 -3.818 -2.454 1.00 15.12 C ATOM 346 CG TYR A 25 29.395 -2.922 -1.358 1.00 14.53 C ATOM 347 CD1 TYR A 25 28.251 -2.156 -1.558 1.00 14.25 C ATOM 348 CD2 TYR A 25 30.029 -2.850 -0.114 1.00 13.23 C ATOM 349 CE1 TYR A 25 27.749 -1.335 -0.551 1.00 15.10 C ATOM 350 CE2 TYR A 25 29.536 -2.028 0.899 1.00 14.02 C ATOM 351 CZ TYR A 25 28.396 -1.274 0.675 1.00 13.94 C ATOM 352 OH TYR A 25 27.914 -0.461 1.678 1.00 14.98 O ATOM 353 HA TYR A 25 30.437 -2.340 -3.956 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.429 -4.667 -1.987 1.00 0.00 H ATOM 355 HB2 TYR A 25 29.086 -4.174 -3.046 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.923 -3.446 0.067 1.00 0.00 H ATOM 357 HE2 TYR A 25 30.045 -1.979 1.862 1.00 0.00 H ATOM 358 HE1 TYR A 25 26.851 -0.742 -0.725 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.739 -2.199 -2.519 1.00 0.00 H ATOM 360 HH TYR A 25 27.101 0.006 1.361 1.00 0.00 H ATOM 361 H TYR A 25 30.964 -5.035 -4.441 1.00 0.00 H ATOM 362 N CYS A 26 32.867 -3.296 -1.952 1.00 13.43 N ATOM 363 CA CYS A 26 33.918 -2.767 -1.088 1.00 13.17 C ATOM 364 C CYS A 26 34.984 -1.990 -1.856 1.00 12.82 C ATOM 365 O CYS A 26 35.409 -0.935 -1.415 1.00 12.42 O ATOM 366 CB CYS A 26 34.541 -3.870 -0.237 1.00 13.30 C ATOM 367 SG CYS A 26 33.436 -4.476 1.053 1.00 14.51 S ATOM 368 HA CYS A 26 33.438 -2.051 -0.421 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.443 -3.478 0.234 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.805 -4.703 -0.888 1.00 0.00 H ATOM 371 H CYS A 26 32.770 -4.324 -2.072 1.00 0.00 H ATOM 372 N ASN A 27 35.405 -2.494 -3.016 1.00 12.58 N ATOM 373 CA ASN A 27 36.333 -1.735 -3.849 1.00 12.78 C ATOM 374 C ASN A 27 35.845 -0.308 -4.123 1.00 13.01 C ATOM 375 O ASN A 27 36.613 0.649 -4.000 1.00 13.44 O ATOM 376 CB ASN A 27 36.619 -2.479 -5.156 1.00 12.40 C ATOM 377 CG ASN A 27 37.377 -3.768 -4.931 1.00 13.52 C ATOM 378 OD1 ASN A 27 38.098 -3.914 -3.941 1.00 12.35 O ATOM 379 ND2 ASN A 27 37.230 -4.712 -5.858 1.00 15.09 N ATOM 380 HA ASN A 27 37.264 -1.644 -3.289 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.671 -2.710 -5.642 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.211 -1.833 -5.805 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.611 -4.545 -6.677 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.734 -5.617 -5.763 1.00 0.00 H ATOM 385 H ASN A 27 35.072 -3.429 -3.328 1.00 0.00 H ATOM 386 N GLN A 28 34.562 -0.182 -4.455 1.00 13.30 N ATOM 387 CA GLN A 28 33.945 1.108 -4.780 1.00 14.21 C ATOM 388 C GLN A 28 33.742 1.988 -3.548 1.00 13.69 C ATOM 389 O GLN A 28 34.079 3.177 -3.558 1.00 13.44 O ATOM 390 CB GLN A 28 32.608 0.902 -5.511 1.00 14.18 C ATOM 391 CG GLN A 28 32.738 0.137 -6.825 1.00 15.89 C ATOM 392 CD GLN A 28 31.406 -0.125 -7.514 1.00 16.50 C ATOM 393 OE1 GLN A 28 30.334 0.012 -6.914 1.00 21.37 O ATOM 394 NE2 GLN A 28 31.471 -0.506 -8.784 1.00 18.12 N ATOM 395 HA GLN A 28 34.639 1.630 -5.439 1.00 0.00 H ATOM 396 HB2 GLN A 28 31.938 0.347 -4.854 1.00 0.00 H ATOM 397 HB3 GLN A 28 32.177 1.881 -5.723 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.367 0.717 -7.500 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.214 -0.822 -6.620 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.395 -0.608 -9.250 1.00 0.00 H ATOM 401 HE21 GLN A 28 30.598 -0.702 -9.313 1.00 0.00 H ATOM 402 H GLN A 28 33.971 -1.037 -4.485 1.00 0.00 H ATOM 403 N MET A 29 33.191 1.388 -2.497 1.00 13.43 N ATOM 404 CA MET A 29 32.828 2.102 -1.267 1.00 13.62 C ATOM 405 C MET A 29 34.018 2.573 -0.430 1.00 13.63 C ATOM 406 O MET A 29 34.014 3.696 0.075 1.00 13.82 O ATOM 407 CB MET A 29 31.886 1.245 -0.413 1.00 13.42 C ATOM 408 CG MET A 29 30.490 1.093 -1.006 1.00 15.35 C ATOM 409 SD MET A 29 29.524 2.618 -0.934 1.00 19.51 S ATOM 410 CE MET A 29 29.272 2.770 0.839 1.00 17.96 C ATOM 411 HA MET A 29 32.322 3.010 -1.595 1.00 0.00 H ATOM 412 HB2 MET A 29 32.325 0.253 -0.306 1.00 0.00 H ATOM 413 HB3 MET A 29 31.794 1.708 0.569 1.00 0.00 H ATOM 414 HG2 MET A 29 29.959 0.319 -0.452 1.00 0.00 H ATOM 415 HG3 MET A 29 30.586 0.791 -2.049 1.00 0.00 H ATOM 416 HE1 MET A 29 28.736 1.894 1.205 1.00 0.00 H ATOM 417 HE2 MET A 29 30.239 2.840 1.337 1.00 0.00 H ATOM 418 HE3 MET A 29 28.689 3.667 1.046 1.00 0.00 H ATOM 419 H MET A 29 33.009 0.365 -2.549 1.00 0.00 H ATOM 420 N MET A 30 35.025 1.714 -0.266 1.00 13.80 N ATOM 421 CA MET A 30 36.230 2.097 0.471 1.00 14.10 C ATOM 422 C MET A 30 36.893 3.309 -0.177 1.00 14.45 C ATOM 423 O MET A 30 37.412 4.194 0.508 1.00 14.74 O ATOM 424 CB MET A 30 37.211 0.927 0.560 1.00 13.84 C ATOM 425 CG MET A 30 36.689 -0.259 1.376 1.00 13.84 C ATOM 426 SD MET A 30 36.342 0.170 3.091 1.00 11.55 S ATOM 427 CE MET A 30 38.009 0.412 3.712 1.00 11.84 C ATOM 428 HA MET A 30 35.936 2.368 1.485 1.00 0.00 H ATOM 429 HB2 MET A 30 37.425 0.581 -0.451 1.00 0.00 H ATOM 430 HB3 MET A 30 38.131 1.284 1.023 1.00 0.00 H ATOM 431 HG2 MET A 30 37.439 -1.050 1.360 1.00 0.00 H ATOM 432 HG3 MET A 30 35.770 -0.622 0.915 1.00 0.00 H ATOM 433 HE1 MET A 30 38.576 -0.512 3.596 1.00 0.00 H ATOM 434 HE2 MET A 30 38.493 1.210 3.149 1.00 0.00 H ATOM 435 HE3 MET A 30 37.967 0.684 4.767 1.00 0.00 H ATOM 436 H MET A 30 34.953 0.758 -0.668 1.00 0.00 H ATOM 437 N LYS A 31 36.860 3.348 -1.505 1.00 15.03 N ATOM 438 CA LYS A 31 37.406 4.474 -2.252 1.00 15.33 C ATOM 439 C LYS A 31 36.556 5.737 -2.078 1.00 15.19 C ATOM 440 O LYS A 31 37.082 6.796 -1.722 1.00 15.14 O ATOM 441 CB LYS A 31 37.537 4.109 -3.733 1.00 15.80 C ATOM 442 CG LYS A 31 38.330 5.121 -4.553 1.00 17.32 C ATOM 443 CD LYS A 31 38.637 4.593 -5.941 1.00 20.54 C ATOM 444 CE LYS A 31 39.240 5.679 -6.810 1.00 21.60 C ATOM 445 NZ LYS A 31 39.467 5.212 -8.207 1.00 24.62 N ATOM 446 HA LYS A 31 38.396 4.693 -1.852 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.036 3.143 -3.805 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.536 4.033 -4.157 1.00 0.00 H ATOM 449 HG2 LYS A 31 37.748 6.038 -4.643 1.00 0.00 H ATOM 450 HG3 LYS A 31 39.267 5.336 -4.040 1.00 0.00 H ATOM 451 HD2 LYS A 31 39.343 3.766 -5.861 1.00 0.00 H ATOM 452 HD3 LYS A 31 37.714 4.238 -6.401 1.00 0.00 H ATOM 453 HE2 LYS A 31 40.194 5.985 -6.381 1.00 0.00 H ATOM 454 HE3 LYS A 31 38.562 6.532 -6.829 1.00 0.00 H ATOM 455 HZ1 LYS A 31 40.119 4.402 -8.199 1.00 0.00 H ATOM 456 HZ2 LYS A 31 38.560 4.925 -8.627 1.00 0.00 H ATOM 457 HZ3 LYS A 31 39.880 5.985 -8.767 1.00 0.00 H ATOM 458 H LYS A 31 36.434 2.554 -2.025 1.00 0.00 H ATOM 459 N SER A 32 35.248 5.615 -2.312 1.00 15.10 N ATOM 460 CA SER A 32 34.350 6.773 -2.349 1.00 15.37 C ATOM 461 C SER A 32 34.176 7.439 -0.991 1.00 15.16 C ATOM 462 O SER A 32 33.914 8.643 -0.905 1.00 15.36 O ATOM 463 CB SER A 32 32.978 6.379 -2.905 1.00 15.40 C ATOM 464 OG SER A 32 32.408 5.314 -2.175 1.00 16.48 O ATOM 465 HA SER A 32 34.823 7.500 -3.009 1.00 0.00 H ATOM 466 HB2 SER A 32 33.092 6.074 -3.945 1.00 0.00 H ATOM 467 HB3 SER A 32 32.313 7.241 -2.851 1.00 0.00 H ATOM 468 HG SER A 32 33.004 4.525 -2.225 1.00 0.00 H ATOM 469 H SER A 32 34.853 4.667 -2.474 1.00 0.00 H ATOM 470 N ARG A 33 34.302 6.643 0.066 1.00 14.63 N ATOM 471 CA ARG A 33 34.187 7.156 1.422 1.00 14.61 C ATOM 472 C ARG A 33 35.532 7.627 1.958 1.00 15.02 C ATOM 473 O ARG A 33 35.661 7.949 3.146 1.00 14.59 O ATOM 474 CB ARG A 33 33.565 6.107 2.347 1.00 14.31 C ATOM 475 CG ARG A 33 32.137 5.724 1.974 1.00 13.75 C ATOM 476 CD ARG A 33 31.189 6.922 2.052 1.00 12.09 C ATOM 477 NE ARG A 33 29.802 6.539 1.796 1.00 12.17 N ATOM 478 CZ ARG A 33 28.966 6.081 2.729 1.00 11.97 C ATOM 479 NH1 ARG A 33 29.378 5.947 3.991 1.00 11.58 N ATOM 480 NH2 ARG A 33 27.716 5.762 2.401 1.00 11.16 N ATOM 481 HA ARG A 33 33.526 8.022 1.393 1.00 0.00 H ATOM 482 HB2 ARG A 33 34.182 5.209 2.312 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.560 6.504 3.362 1.00 0.00 H ATOM 484 HG2 ARG A 33 32.130 5.334 0.956 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.788 4.952 2.660 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.493 7.661 1.311 1.00 0.00 H ATOM 487 HD3 ARG A 33 31.256 7.360 3.048 1.00 0.00 H ATOM 488 HE ARG A 33 29.444 6.629 0.824 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.724 5.590 4.716 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.353 6.200 4.249 1.00 0.00 H ATOM 491 HH22 ARG A 33 27.063 5.405 3.127 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.392 5.870 1.419 1.00 0.00 H ATOM 493 H ARG A 33 34.487 5.630 -0.080 1.00 0.00 H ATOM 494 N ASN A 34 36.519 7.673 1.063 1.00 15.41 N ATOM 495 CA ASN A 34 37.841 8.231 1.349 1.00 16.24 C ATOM 496 C ASN A 34 38.628 7.441 2.389 1.00 15.97 C ATOM 497 O ASN A 34 39.340 8.007 3.225 1.00 16.07 O ATOM 498 CB ASN A 34 37.723 9.713 1.712 1.00 16.71 C ATOM 499 CG ASN A 34 36.923 10.486 0.684 1.00 18.81 C ATOM 500 OD1 ASN A 34 37.393 10.738 -0.430 1.00 21.62 O ATOM 501 ND2 ASN A 34 35.689 10.832 1.039 1.00 22.13 N ATOM 502 HA ASN A 34 38.428 8.144 0.435 1.00 0.00 H ATOM 503 HB2 ASN A 34 37.230 9.800 2.680 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.723 10.141 1.775 1.00 0.00 H ATOM 505 HD22 ASN A 34 35.336 10.598 1.989 1.00 0.00 H ATOM 506 HD21 ASN A 34 35.077 11.336 0.367 1.00 0.00 H ATOM 507 H ASN A 34 36.340 7.292 0.112 1.00 0.00 H ATOM 508 N LEU A 35 38.505 6.119 2.305 1.00 15.97 N ATOM 509 CA LEU A 35 39.211 5.207 3.202 1.00 15.94 C ATOM 510 C LEU A 35 40.426 4.553 2.539 1.00 16.20 C ATOM 511 O LEU A 35 41.016 3.639 3.112 1.00 16.18 O ATOM 512 CB LEU A 35 38.250 4.132 3.740 1.00 15.79 C ATOM 513 CG LEU A 35 36.939 4.668 4.330 1.00 15.80 C ATOM 514 CD1 LEU A 35 36.003 3.554 4.785 1.00 16.06 C ATOM 515 CD2 LEU A 35 37.246 5.624 5.468 1.00 16.31 C ATOM 516 HA LEU A 35 39.585 5.805 4.033 1.00 0.00 H ATOM 517 HB2 LEU A 35 38.001 3.460 2.919 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.769 3.575 4.520 1.00 0.00 H ATOM 519 HG LEU A 35 36.412 5.204 3.540 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.804 5.098 6.242 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.841 6.456 5.091 1.00 0.00 H ATOM 522 HD23 LEU A 35 36.313 6.003 5.885 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.754 2.920 3.934 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.497 2.957 5.552 1.00 0.00 H ATOM 525 HD13 LEU A 35 35.092 3.991 5.194 1.00 0.00 H ATOM 526 H LEU A 35 37.883 5.720 1.573 1.00 0.00 H ATOM 527 N THR A 36 40.791 5.033 1.346 1.00 16.64 N ATOM 528 CA THR A 36 41.943 4.521 0.589 1.00 17.19 C ATOM 529 C THR A 36 42.948 5.628 0.225 1.00 17.31 C ATOM 530 O THR A 36 43.780 5.455 -0.675 1.00 17.05 O ATOM 531 CB THR A 36 41.521 3.799 -0.728 1.00 17.21 C ATOM 532 OG1 THR A 36 40.896 4.734 -1.621 1.00 17.57 O ATOM 533 CG2 THR A 36 40.592 2.633 -0.453 1.00 17.90 C ATOM 534 HA THR A 36 42.418 3.805 1.259 1.00 0.00 H ATOM 535 HB THR A 36 42.421 3.400 -1.195 1.00 0.00 H ATOM 536 HG1 THR A 36 40.093 5.117 -1.187 1.00 0.00 H ATOM 537 HG23 THR A 36 41.080 1.933 0.225 1.00 0.00 H ATOM 538 HG21 THR A 36 39.673 3.002 0.003 1.00 0.00 H ATOM 539 HG22 THR A 36 40.357 2.128 -1.390 1.00 0.00 H ATOM 540 H THR A 36 40.233 5.807 0.933 1.00 0.00 H ATOM 541 N LYS A 37 42.872 6.751 0.934 1.00 17.66 N ATOM 542 CA LYS A 37 43.676 7.938 0.609 1.00 18.28 C ATOM 543 C LYS A 37 45.051 7.911 1.285 1.00 18.08 C ATOM 544 O LYS A 37 46.074 8.085 0.623 1.00 18.33 O ATOM 545 CB LYS A 37 42.897 9.207 0.987 1.00 18.81 C ATOM 546 CG LYS A 37 43.594 10.529 0.705 1.00 19.93 C ATOM 547 CD LYS A 37 42.908 11.645 1.491 1.00 22.62 C ATOM 548 CE LYS A 37 43.399 13.020 1.074 1.00 24.05 C ATOM 549 NZ LYS A 37 42.638 14.093 1.792 1.00 25.54 N ATOM 550 HA LYS A 37 43.861 7.937 -0.465 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.959 9.200 0.432 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.686 9.163 2.055 1.00 0.00 H ATOM 553 HG2 LYS A 37 44.639 10.461 1.007 1.00 0.00 H ATOM 554 HG3 LYS A 37 43.539 10.749 -0.361 1.00 0.00 H ATOM 555 HD2 LYS A 37 41.833 11.588 1.319 1.00 0.00 H ATOM 556 HD3 LYS A 37 43.112 11.505 2.552 1.00 0.00 H ATOM 557 HE2 LYS A 37 43.260 13.140 -0.000 1.00 0.00 H ATOM 558 HE3 LYS A 37 44.458 13.110 1.314 1.00 0.00 H ATOM 559 HZ1 LYS A 37 41.627 14.012 1.562 1.00 0.00 H ATOM 560 HZ2 LYS A 37 42.772 13.984 2.818 1.00 0.00 H ATOM 561 HZ3 LYS A 37 42.989 15.025 1.493 1.00 0.00 H ATOM 562 H LYS A 37 42.222 6.791 1.745 1.00 0.00 H ATOM 563 N ASP A 38 45.066 7.706 2.599 1.00 18.15 N ATOM 564 CA ASP A 38 46.311 7.666 3.371 1.00 18.08 C ATOM 565 C ASP A 38 47.013 6.314 3.210 1.00 17.67 C ATOM 566 O ASP A 38 48.248 6.227 3.177 1.00 17.76 O ATOM 567 CB ASP A 38 46.028 7.949 4.852 1.00 18.50 C ATOM 568 CG ASP A 38 45.479 9.351 5.094 1.00 19.64 C ATOM 569 OD1 ASP A 38 45.775 10.270 4.295 1.00 21.34 O ATOM 570 OD2 ASP A 38 44.755 9.534 6.095 1.00 21.21 O ATOM 571 HA ASP A 38 46.975 8.440 2.986 1.00 0.00 H ATOM 572 HB2 ASP A 38 45.299 7.223 5.212 1.00 0.00 H ATOM 573 HB3 ASP A 38 46.957 7.838 5.411 1.00 0.00 H ATOM 574 H ASP A 38 44.163 7.569 3.096 1.00 0.00 H ATOM 575 N ARG A 39 46.195 5.272 3.102 1.00 17.28 N ATOM 576 CA ARG A 39 46.621 3.887 2.952 1.00 16.45 C ATOM 577 C ARG A 39 45.354 3.145 2.552 1.00 16.32 C ATOM 578 O ARG A 39 44.277 3.744 2.500 1.00 16.33 O ATOM 579 CB ARG A 39 47.123 3.324 4.288 1.00 16.26 C ATOM 580 CG ARG A 39 46.066 3.349 5.393 1.00 16.44 C ATOM 581 CD ARG A 39 46.424 2.539 6.622 1.00 16.13 C ATOM 582 NE ARG A 39 45.338 2.638 7.598 1.00 14.56 N ATOM 583 CZ ARG A 39 45.210 1.879 8.684 1.00 15.27 C ATOM 584 NH1 ARG A 39 44.171 2.055 9.490 1.00 15.00 N ATOM 585 NH2 ARG A 39 46.107 0.939 8.960 1.00 16.40 N ATOM 586 HA ARG A 39 47.432 3.789 2.230 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.436 2.292 4.132 1.00 0.00 H ATOM 588 HB3 ARG A 39 47.978 3.917 4.614 1.00 0.00 H ATOM 589 HG2 ARG A 39 45.917 4.385 5.699 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.136 2.955 4.984 1.00 0.00 H ATOM 591 HD2 ARG A 39 47.344 2.927 7.059 1.00 0.00 H ATOM 592 HD3 ARG A 39 46.568 1.496 6.342 1.00 0.00 H ATOM 593 HE ARG A 39 44.608 3.359 7.430 1.00 0.00 H ATOM 594 HH12 ARG A 39 44.066 1.465 10.340 1.00 0.00 H ATOM 595 HH11 ARG A 39 43.461 2.783 9.272 1.00 0.00 H ATOM 596 HH22 ARG A 39 45.999 0.351 9.811 1.00 0.00 H ATOM 597 HH21 ARG A 39 46.918 0.791 8.325 1.00 0.00 H ATOM 598 H ARG A 39 45.172 5.460 3.126 1.00 0.00 H ATOM 599 N CYS A 40 45.466 1.850 2.288 1.00 15.95 N ATOM 600 CA CYS A 40 44.264 1.018 2.229 1.00 15.26 C ATOM 601 C CYS A 40 43.836 0.699 3.667 1.00 15.10 C ATOM 602 O CYS A 40 44.497 -0.073 4.357 1.00 15.31 O ATOM 603 CB CYS A 40 44.512 -0.273 1.451 1.00 15.59 C ATOM 604 SG CYS A 40 45.296 -0.086 -0.179 1.00 14.14 S ATOM 605 HA CYS A 40 43.476 1.559 1.705 1.00 0.00 H ATOM 606 HB2 CYS A 40 43.550 -0.764 1.304 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.154 -0.910 2.059 1.00 0.00 H ATOM 608 H CYS A 40 46.403 1.429 2.124 1.00 0.00 H ATOM 609 N LYS A 41 42.750 1.305 4.131 1.00 14.53 N ATOM 610 CA LYS A 41 42.200 0.895 5.431 1.00 14.63 C ATOM 611 C LYS A 41 41.947 -0.622 5.363 1.00 14.62 C ATOM 612 O LYS A 41 41.225 -1.085 4.487 1.00 14.07 O ATOM 613 CB LYS A 41 40.926 1.672 5.777 1.00 14.78 C ATOM 614 CG LYS A 41 40.343 1.298 7.125 1.00 14.95 C ATOM 615 CD LYS A 41 39.216 2.222 7.555 1.00 14.67 C ATOM 616 CE LYS A 41 38.802 1.913 8.992 1.00 15.51 C ATOM 617 NZ LYS A 41 37.504 2.547 9.380 1.00 16.82 N ATOM 618 HA LYS A 41 42.907 1.121 6.229 1.00 0.00 H ATOM 619 HB2 LYS A 41 41.161 2.736 5.785 1.00 0.00 H ATOM 620 HB3 LYS A 41 40.179 1.472 5.009 1.00 0.00 H ATOM 621 HG2 LYS A 41 39.957 0.280 7.068 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.135 1.343 7.872 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.554 3.256 7.491 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.361 2.079 6.895 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.580 2.277 9.663 1.00 0.00 H ATOM 626 HE3 LYS A 41 38.706 0.833 9.101 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.584 3.580 9.290 1.00 0.00 H ATOM 628 HZ2 LYS A 41 36.750 2.201 8.754 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.279 2.299 10.365 1.00 0.00 H ATOM 630 H LYS A 41 42.294 2.061 3.581 1.00 0.00 H ATOM 631 N PRO A 42 42.591 -1.398 6.250 1.00 14.84 N ATOM 632 CA PRO A 42 42.570 -2.867 6.164 1.00 14.88 C ATOM 633 C PRO A 42 41.209 -3.553 6.437 1.00 15.10 C ATOM 634 O PRO A 42 40.893 -4.567 5.789 1.00 15.27 O ATOM 635 CB PRO A 42 43.623 -3.296 7.193 1.00 15.04 C ATOM 636 CG PRO A 42 43.722 -2.167 8.143 1.00 15.39 C ATOM 637 CD PRO A 42 43.437 -0.919 7.363 1.00 14.89 C ATOM 638 HA PRO A 42 42.771 -3.179 5.139 1.00 0.00 H ATOM 639 HD3 PRO A 42 42.904 -0.190 7.973 1.00 0.00 H ATOM 640 HD2 PRO A 42 44.359 -0.473 6.989 1.00 0.00 H ATOM 641 HG3 PRO A 42 44.724 -2.122 8.570 1.00 0.00 H ATOM 642 HG2 PRO A 42 42.992 -2.285 8.944 1.00 0.00 H ATOM 643 HB2 PRO A 42 43.306 -4.203 7.709 1.00 0.00 H ATOM 644 HB3 PRO A 42 44.583 -3.472 6.707 1.00 0.00 H ATOM 645 N VAL A 43 40.438 -3.029 7.392 1.00 14.68 N ATOM 646 CA VAL A 43 39.126 -3.592 7.734 1.00 15.30 C ATOM 647 C VAL A 43 38.109 -2.485 8.002 1.00 14.83 C ATOM 648 O VAL A 43 38.394 -1.517 8.724 1.00 14.63 O ATOM 649 CB VAL A 43 39.189 -4.594 8.945 1.00 15.74 C ATOM 650 CG1 VAL A 43 40.373 -5.530 8.818 1.00 15.97 C ATOM 651 CG2 VAL A 43 39.267 -3.879 10.268 1.00 17.39 C ATOM 652 HA VAL A 43 38.800 -4.166 6.867 1.00 0.00 H ATOM 653 HB VAL A 43 38.264 -5.170 8.916 1.00 0.00 H ATOM 654 HG11 VAL A 43 40.284 -6.103 7.895 1.00 0.00 H ATOM 655 HG12 VAL A 43 41.294 -4.948 8.798 1.00 0.00 H ATOM 656 HG13 VAL A 43 40.390 -6.210 9.669 1.00 0.00 H ATOM 657 HG21 VAL A 43 40.163 -3.259 10.292 1.00 0.00 H ATOM 658 HG22 VAL A 43 38.385 -3.250 10.392 1.00 0.00 H ATOM 659 HG23 VAL A 43 39.309 -4.612 11.074 1.00 0.00 H ATOM 660 H VAL A 43 40.778 -2.194 7.911 1.00 0.00 H ATOM 661 N ASN A 44 36.935 -2.613 7.395 1.00 14.37 N ATOM 662 CA ASN A 44 35.853 -1.653 7.605 1.00 14.49 C ATOM 663 C ASN A 44 34.489 -2.292 7.392 1.00 14.58 C ATOM 664 O ASN A 44 34.343 -3.162 6.541 1.00 15.39 O ATOM 665 CB ASN A 44 36.011 -0.450 6.674 1.00 14.52 C ATOM 666 CG ASN A 44 35.111 0.701 7.063 1.00 15.34 C ATOM 667 OD1 ASN A 44 35.281 1.290 8.130 1.00 15.95 O ATOM 668 ND2 ASN A 44 34.160 1.040 6.197 1.00 13.20 N ATOM 669 HA ASN A 44 35.915 -1.316 8.640 1.00 0.00 H ATOM 670 HB2 ASN A 44 37.047 -0.113 6.710 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.766 -0.759 5.658 1.00 0.00 H ATOM 672 HD22 ASN A 44 34.055 0.512 5.307 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.522 1.833 6.410 1.00 0.00 H ATOM 674 H ASN A 44 36.781 -3.417 6.754 1.00 0.00 H ATOM 675 N THR A 45 33.499 -1.835 8.158 1.00 13.57 N ATOM 676 CA THR A 45 32.142 -2.355 8.071 1.00 13.06 C ATOM 677 C THR A 45 31.160 -1.235 7.738 1.00 12.71 C ATOM 678 O THR A 45 31.223 -0.141 8.311 1.00 12.93 O ATOM 679 CB THR A 45 31.727 -3.049 9.392 1.00 12.23 C ATOM 680 OG1 THR A 45 32.629 -4.121 9.688 1.00 13.85 O ATOM 681 CG2 THR A 45 30.297 -3.609 9.302 1.00 13.13 C ATOM 682 HA THR A 45 32.118 -3.095 7.271 1.00 0.00 H ATOM 683 HB THR A 45 31.763 -2.302 10.185 1.00 0.00 H ATOM 684 HG1 THR A 45 32.607 -4.782 8.952 1.00 0.00 H ATOM 685 HG23 THR A 45 29.604 -2.798 9.077 1.00 0.00 H ATOM 686 HG21 THR A 45 30.251 -4.358 8.512 1.00 0.00 H ATOM 687 HG22 THR A 45 30.027 -4.066 10.254 1.00 0.00 H ATOM 688 H THR A 45 33.703 -1.079 8.843 1.00 0.00 H ATOM 689 N PHE A 46 30.259 -1.522 6.809 1.00 12.43 N ATOM 690 CA PHE A 46 29.166 -0.633 6.467 1.00 12.62 C ATOM 691 C PHE A 46 27.869 -1.255 6.943 1.00 13.16 C ATOM 692 O PHE A 46 27.664 -2.456 6.778 1.00 13.11 O ATOM 693 CB PHE A 46 29.108 -0.425 4.955 1.00 12.77 C ATOM 694 CG PHE A 46 30.272 0.361 4.413 1.00 12.11 C ATOM 695 CD1 PHE A 46 30.289 1.743 4.516 1.00 12.83 C ATOM 696 CD2 PHE A 46 31.362 -0.283 3.823 1.00 11.82 C ATOM 697 CE1 PHE A 46 31.358 2.491 4.016 1.00 11.59 C ATOM 698 CE2 PHE A 46 32.438 0.458 3.311 1.00 10.64 C ATOM 699 CZ PHE A 46 32.434 1.848 3.420 1.00 12.95 C ATOM 700 HA PHE A 46 29.319 0.334 6.946 1.00 0.00 H ATOM 701 HB2 PHE A 46 29.096 -1.402 4.472 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.189 0.109 4.715 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.377 -1.371 3.760 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.273 -0.051 2.830 1.00 0.00 H ATOM 705 HZ PHE A 46 33.274 2.428 3.038 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.347 3.578 4.094 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.454 2.255 4.995 1.00 0.00 H ATOM 708 H PHE A 46 30.340 -2.427 6.302 1.00 0.00 H ATOM 709 N VAL A 47 27.022 -0.435 7.556 1.00 13.74 N ATOM 710 CA VAL A 47 25.737 -0.884 8.102 1.00 14.34 C ATOM 711 C VAL A 47 24.589 -0.409 7.206 1.00 14.48 C ATOM 712 O VAL A 47 24.446 0.795 6.975 1.00 14.55 O ATOM 713 CB VAL A 47 25.520 -0.345 9.542 1.00 14.45 C ATOM 714 CG1 VAL A 47 24.233 -0.929 10.175 1.00 14.57 C ATOM 715 CG2 VAL A 47 26.725 -0.654 10.422 1.00 14.79 C ATOM 716 HA VAL A 47 25.752 -1.973 8.136 1.00 0.00 H ATOM 717 HB VAL A 47 25.404 0.737 9.473 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.372 -0.651 9.567 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.312 -2.015 10.219 1.00 0.00 H ATOM 720 HG13 VAL A 47 24.112 -0.531 11.182 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.872 -1.733 10.468 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.612 -0.183 9.999 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.549 -0.267 11.426 1.00 0.00 H ATOM 724 H VAL A 47 27.281 0.568 7.653 1.00 0.00 H ATOM 725 N HIS A 48 23.775 -1.357 6.726 1.00 14.76 N ATOM 726 CA HIS A 48 22.628 -1.060 5.840 1.00 15.79 C ATOM 727 C HIS A 48 21.330 -1.000 6.628 1.00 15.70 C ATOM 728 O HIS A 48 20.436 -1.847 6.471 1.00 15.98 O ATOM 729 CB HIS A 48 22.504 -2.108 4.736 1.00 16.00 C ATOM 730 CG HIS A 48 23.803 -2.433 4.070 1.00 17.88 C ATOM 731 ND1 HIS A 48 24.405 -1.590 3.162 1.00 20.54 N ATOM 732 CD2 HIS A 48 24.621 -3.506 4.188 1.00 19.39 C ATOM 733 CE1 HIS A 48 25.540 -2.127 2.753 1.00 21.11 C ATOM 734 NE2 HIS A 48 25.692 -3.292 3.356 1.00 20.26 N ATOM 735 HA HIS A 48 22.812 -0.086 5.387 1.00 0.00 H ATOM 736 HB2 HIS A 48 22.102 -3.022 5.172 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.813 -1.733 3.981 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.459 -4.376 4.824 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.234 -1.684 2.039 1.00 0.00 H ATOM 740 H HIS A 48 23.957 -2.347 6.988 1.00 0.00 H ATOM 741 N GLU A 49 21.247 0.001 7.495 1.00 15.31 N ATOM 742 CA GLU A 49 20.047 0.268 8.269 1.00 15.25 C ATOM 743 C GLU A 49 19.892 1.777 8.314 1.00 15.33 C ATOM 744 O GLU A 49 20.813 2.505 7.937 1.00 14.81 O ATOM 745 CB GLU A 49 20.191 -0.290 9.695 1.00 15.51 C ATOM 746 CG GLU A 49 20.455 -1.808 9.788 1.00 14.61 C ATOM 747 CD GLU A 49 19.258 -2.670 9.385 1.00 16.46 C ATOM 748 OE1 GLU A 49 18.129 -2.135 9.284 1.00 16.68 O ATOM 749 OE2 GLU A 49 19.455 -3.891 9.163 1.00 14.52 O ATOM 750 HA GLU A 49 19.177 -0.209 7.818 1.00 0.00 H ATOM 751 HB2 GLU A 49 21.022 0.226 10.176 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.269 -0.075 10.235 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.291 -2.052 9.132 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.720 -2.048 10.818 1.00 0.00 H ATOM 755 H GLU A 49 22.073 0.619 7.626 1.00 0.00 H ATOM 756 N SER A 50 18.748 2.250 8.798 1.00 14.88 N ATOM 757 CA SER A 50 18.526 3.688 8.938 1.00 15.31 C ATOM 758 C SER A 50 19.482 4.300 9.958 1.00 15.32 C ATOM 759 O SER A 50 19.955 3.611 10.877 1.00 15.23 O ATOM 760 CB SER A 50 17.061 3.996 9.290 1.00 14.97 C ATOM 761 OG SER A 50 16.782 3.781 10.666 1.00 13.86 O ATOM 762 HA SER A 50 18.736 4.149 7.973 1.00 0.00 H ATOM 763 HB2 SER A 50 16.414 3.351 8.696 1.00 0.00 H ATOM 764 HB3 SER A 50 16.854 5.038 9.048 1.00 0.00 H ATOM 765 HG SER A 50 15.831 3.991 10.846 1.00 0.00 H ATOM 766 H SER A 50 17.999 1.587 9.082 1.00 0.00 H ATOM 767 N LEU A 51 19.791 5.584 9.783 1.00 15.75 N ATOM 768 CA LEU A 51 20.588 6.305 10.771 1.00 15.82 C ATOM 769 C LEU A 51 19.897 6.288 12.140 1.00 15.76 C ATOM 770 O LEU A 51 20.559 6.132 13.170 1.00 15.57 O ATOM 771 CB LEU A 51 20.893 7.746 10.317 1.00 16.49 C ATOM 772 CG LEU A 51 21.791 8.588 11.243 1.00 16.68 C ATOM 773 CD1 LEU A 51 23.136 7.922 11.504 1.00 17.47 C ATOM 774 CD2 LEU A 51 22.004 9.989 10.689 1.00 16.54 C ATOM 775 HA LEU A 51 21.544 5.790 10.865 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.382 7.690 9.344 1.00 0.00 H ATOM 777 HB3 LEU A 51 19.942 8.269 10.214 1.00 0.00 H ATOM 778 HG LEU A 51 21.264 8.663 12.194 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.481 9.923 9.711 1.00 0.00 H ATOM 780 HD22 LEU A 51 21.041 10.490 10.592 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.642 10.554 11.369 1.00 0.00 H ATOM 782 HD11 LEU A 51 22.975 6.954 11.978 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.661 7.783 10.559 1.00 0.00 H ATOM 784 HD13 LEU A 51 23.732 8.555 12.162 1.00 0.00 H ATOM 785 H LEU A 51 19.460 6.080 8.931 1.00 0.00 H ATOM 786 N ALA A 52 18.571 6.426 12.154 1.00 16.04 N ATOM 787 CA ALA A 52 17.834 6.373 13.416 1.00 15.70 C ATOM 788 C ALA A 52 18.026 5.021 14.102 1.00 15.75 C ATOM 789 O ALA A 52 18.248 4.961 15.323 1.00 15.91 O ATOM 790 CB ALA A 52 16.344 6.684 13.188 1.00 16.25 C ATOM 791 HA ALA A 52 18.235 7.138 14.081 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.244 7.682 12.762 1.00 0.00 H ATOM 793 HB2 ALA A 52 15.922 5.950 12.501 1.00 0.00 H ATOM 794 HB3 ALA A 52 15.815 6.639 14.140 1.00 0.00 H ATOM 795 H ALA A 52 18.057 6.572 11.262 1.00 0.00 H ATOM 796 N ASP A 53 17.979 3.936 13.326 1.00 15.62 N ATOM 797 CA ASP A 53 18.102 2.584 13.891 1.00 15.61 C ATOM 798 C ASP A 53 19.490 2.343 14.508 1.00 15.59 C ATOM 799 O ASP A 53 19.616 1.717 15.565 1.00 14.96 O ATOM 800 CB ASP A 53 17.767 1.507 12.843 1.00 15.75 C ATOM 801 CG ASP A 53 16.267 1.208 12.750 1.00 16.94 C ATOM 802 OD1 ASP A 53 15.477 1.793 13.520 1.00 18.26 O ATOM 803 OD2 ASP A 53 15.874 0.361 11.918 1.00 16.05 O ATOM 804 HA ASP A 53 17.372 2.507 14.697 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.114 1.850 11.868 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.289 0.588 13.110 1.00 0.00 H ATOM 807 H ASP A 53 17.853 4.049 12.300 1.00 0.00 H ATOM 808 N VAL A 54 20.518 2.873 13.856 1.00 15.09 N ATOM 809 CA VAL A 54 21.896 2.709 14.331 1.00 14.88 C ATOM 810 C VAL A 54 22.151 3.619 15.547 1.00 14.85 C ATOM 811 O VAL A 54 22.734 3.184 16.547 1.00 14.62 O ATOM 812 CB VAL A 54 22.907 2.950 13.184 1.00 14.94 C ATOM 813 CG1 VAL A 54 24.359 2.875 13.697 1.00 15.55 C ATOM 814 CG2 VAL A 54 22.678 1.924 12.085 1.00 15.56 C ATOM 815 HA VAL A 54 22.041 1.680 14.661 1.00 0.00 H ATOM 816 HB VAL A 54 22.750 3.952 12.784 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.512 3.636 14.462 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.542 1.888 14.122 1.00 0.00 H ATOM 819 HG13 VAL A 54 25.045 3.048 12.868 1.00 0.00 H ATOM 820 HG21 VAL A 54 22.818 0.922 12.490 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.662 2.024 11.703 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.390 2.094 11.277 1.00 0.00 H ATOM 823 H VAL A 54 20.342 3.418 12.988 1.00 0.00 H ATOM 824 N GLN A 55 21.693 4.869 15.476 1.00 14.68 N ATOM 825 CA GLN A 55 21.790 5.789 16.624 1.00 14.83 C ATOM 826 C GLN A 55 21.095 5.222 17.871 1.00 14.54 C ATOM 827 O GLN A 55 21.593 5.366 18.995 1.00 15.28 O ATOM 828 CB GLN A 55 21.208 7.161 16.269 1.00 14.92 C ATOM 829 CG GLN A 55 22.055 7.932 15.252 1.00 14.76 C ATOM 830 CD GLN A 55 21.384 9.216 14.755 1.00 15.24 C ATOM 831 OE1 GLN A 55 22.066 10.151 14.324 1.00 17.09 O ATOM 832 NE2 GLN A 55 20.048 9.249 14.779 1.00 14.24 N ATOM 833 HA GLN A 55 22.848 5.904 16.858 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.211 7.017 15.852 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.137 7.754 17.181 1.00 0.00 H ATOM 836 HG2 GLN A 55 23.003 8.196 15.720 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.242 7.285 14.395 1.00 0.00 H ATOM 838 HE22 GLN A 55 19.514 8.438 15.151 1.00 0.00 H ATOM 839 HE21 GLN A 55 19.542 10.086 14.425 1.00 0.00 H ATOM 840 H GLN A 55 21.258 5.202 14.592 1.00 0.00 H ATOM 841 N ALA A 56 19.969 4.545 17.657 1.00 14.34 N ATOM 842 CA ALA A 56 19.206 3.908 18.749 1.00 13.91 C ATOM 843 C ALA A 56 20.018 2.858 19.518 1.00 13.71 C ATOM 844 O ALA A 56 19.735 2.585 20.681 1.00 14.23 O ATOM 845 CB ALA A 56 17.927 3.287 18.205 1.00 13.96 C ATOM 846 HA ALA A 56 18.960 4.697 19.460 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.314 4.063 17.747 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.179 2.534 17.459 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.375 2.821 19.021 1.00 0.00 H ATOM 850 H ALA A 56 19.613 4.462 16.683 1.00 0.00 H ATOM 851 N VAL A 57 21.029 2.286 18.868 1.00 13.54 N ATOM 852 CA VAL A 57 21.889 1.268 19.491 1.00 12.63 C ATOM 853 C VAL A 57 22.594 1.825 20.740 1.00 12.16 C ATOM 854 O VAL A 57 22.885 1.081 21.679 1.00 12.29 O ATOM 855 CB VAL A 57 22.888 0.659 18.455 1.00 11.87 C ATOM 856 CG1 VAL A 57 23.861 -0.337 19.112 1.00 11.55 C ATOM 857 CG2 VAL A 57 22.121 -0.033 17.323 1.00 12.62 C ATOM 858 HA VAL A 57 21.256 0.448 19.830 1.00 0.00 H ATOM 859 HB VAL A 57 23.477 1.481 18.048 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.437 0.175 19.883 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.295 -1.153 19.562 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.537 -0.736 18.355 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.506 -0.831 17.738 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.484 0.694 16.820 1.00 0.00 H ATOM 865 HG23 VAL A 57 22.830 -0.452 16.609 1.00 0.00 H ATOM 866 H VAL A 57 21.218 2.569 17.885 1.00 0.00 H ATOM 867 N CYS A 58 22.820 3.139 20.765 1.00 11.79 N ATOM 868 CA CYS A 58 23.438 3.799 21.935 1.00 11.62 C ATOM 869 C CYS A 58 22.629 3.730 23.230 1.00 10.94 C ATOM 870 O CYS A 58 23.161 4.044 24.305 1.00 11.14 O ATOM 871 CB CYS A 58 23.786 5.260 21.632 1.00 11.40 C ATOM 872 SG CYS A 58 25.006 5.464 20.334 1.00 12.72 S ATOM 873 HA CYS A 58 24.343 3.218 22.113 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.174 5.716 22.543 1.00 0.00 H ATOM 875 HB3 CYS A 58 22.874 5.774 21.330 1.00 0.00 H ATOM 876 H CYS A 58 22.555 3.714 19.940 1.00 0.00 H ATOM 877 N SER A 59 21.367 3.313 23.127 1.00 9.97 N ATOM 878 CA SER A 59 20.522 3.099 24.302 1.00 10.03 C ATOM 879 C SER A 59 20.151 1.619 24.486 1.00 9.27 C ATOM 880 O SER A 59 19.264 1.287 25.280 1.00 9.11 O ATOM 881 CB SER A 59 19.276 3.980 24.223 1.00 10.20 C ATOM 882 OG SER A 59 18.459 3.610 23.124 1.00 12.81 O ATOM 883 HA SER A 59 21.096 3.387 25.183 1.00 0.00 H ATOM 884 HB2 SER A 59 19.581 5.020 24.106 1.00 0.00 H ATOM 885 HB3 SER A 59 18.704 3.872 25.145 1.00 0.00 H ATOM 886 HG SER A 59 18.973 3.711 22.284 1.00 0.00 H ATOM 887 H SER A 59 20.971 3.134 22.182 1.00 0.00 H ATOM 888 N GLN A 60 20.851 0.742 23.778 1.00 7.74 N ATOM 889 CA GLN A 60 20.595 -0.700 23.834 1.00 7.77 C ATOM 890 C GLN A 60 21.547 -1.441 24.795 1.00 7.62 C ATOM 891 O GLN A 60 21.791 -0.937 25.894 1.00 7.30 O ATOM 892 CB GLN A 60 20.481 -1.283 22.418 1.00 7.65 C ATOM 893 CG GLN A 60 19.295 -0.625 21.672 1.00 7.83 C ATOM 894 CD GLN A 60 19.065 -1.094 20.229 1.00 8.30 C ATOM 895 OE1 GLN A 60 19.612 -2.100 19.774 1.00 9.08 O ATOM 896 NE2 GLN A 60 18.215 -0.357 19.506 1.00 8.18 N ATOM 897 HA GLN A 60 19.620 -0.868 24.292 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.404 -1.090 21.872 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.316 -2.359 22.482 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.388 -0.832 22.239 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.470 0.451 21.650 1.00 0.00 H ATOM 902 HE22 GLN A 60 17.772 0.486 19.924 1.00 0.00 H ATOM 903 HE21 GLN A 60 17.997 -0.627 18.526 1.00 0.00 H ATOM 904 H GLN A 60 21.611 1.091 23.159 1.00 0.00 H ATOM 905 N LYS A 61 22.035 -2.625 24.436 1.00 7.77 N ATOM 906 CA LYS A 61 22.761 -3.461 25.415 1.00 8.59 C ATOM 907 C LYS A 61 24.178 -2.975 25.696 1.00 8.21 C ATOM 908 O LYS A 61 25.033 -3.099 24.841 1.00 8.18 O ATOM 909 CB LYS A 61 22.795 -4.924 24.965 1.00 8.63 C ATOM 910 CG LYS A 61 23.485 -5.856 25.956 1.00 10.79 C ATOM 911 CD LYS A 61 23.294 -7.301 25.534 1.00 16.26 C ATOM 912 CE LYS A 61 24.233 -8.258 26.254 1.00 20.63 C ATOM 913 NZ LYS A 61 25.441 -8.555 25.422 1.00 25.07 N ATOM 914 HA LYS A 61 22.204 -3.375 26.348 1.00 0.00 H ATOM 915 HB2 LYS A 61 21.769 -5.266 24.828 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.325 -4.979 24.014 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.550 -5.627 25.985 1.00 0.00 H ATOM 918 HG3 LYS A 61 23.056 -5.710 26.947 1.00 0.00 H ATOM 919 HD2 LYS A 61 22.266 -7.594 25.750 1.00 0.00 H ATOM 920 HD3 LYS A 61 23.475 -7.377 24.462 1.00 0.00 H ATOM 921 HE2 LYS A 61 23.704 -9.189 26.460 1.00 0.00 H ATOM 922 HE3 LYS A 61 24.550 -7.806 27.194 1.00 0.00 H ATOM 923 HZ1 LYS A 61 25.144 -8.991 24.525 1.00 0.00 H ATOM 924 HZ2 LYS A 61 25.952 -7.670 25.227 1.00 0.00 H ATOM 925 HZ3 LYS A 61 26.063 -9.210 25.938 1.00 0.00 H ATOM 926 H LYS A 61 21.905 -2.964 23.462 1.00 0.00 H ATOM 927 N ASN A 62 24.419 -2.451 26.897 1.00 8.58 N ATOM 928 CA ASN A 62 25.751 -1.927 27.255 1.00 8.63 C ATOM 929 C ASN A 62 26.729 -3.108 27.396 1.00 8.16 C ATOM 930 O ASN A 62 26.469 -4.046 28.170 1.00 8.87 O ATOM 931 CB ASN A 62 25.666 -1.101 28.557 1.00 8.81 C ATOM 932 CG ASN A 62 26.954 -0.313 28.877 1.00 9.38 C ATOM 933 OD1 ASN A 62 27.244 -0.042 30.053 1.00 11.65 O ATOM 934 ND2 ASN A 62 27.709 0.061 27.859 1.00 7.64 N ATOM 935 HA ASN A 62 26.116 -1.263 26.472 1.00 0.00 H ATOM 936 HB2 ASN A 62 24.843 -0.392 28.462 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.464 -1.782 29.384 1.00 0.00 H ATOM 938 HD22 ASN A 62 27.432 -0.186 26.888 1.00 0.00 H ATOM 939 HD21 ASN A 62 28.581 0.602 28.029 1.00 0.00 H ATOM 940 H ASN A 62 23.651 -2.410 27.598 1.00 0.00 H ATOM 941 N VAL A 63 27.829 -3.062 26.639 1.00 8.14 N ATOM 942 CA VAL A 63 28.886 -4.084 26.691 1.00 7.09 C ATOM 943 C VAL A 63 30.273 -3.444 26.735 1.00 7.34 C ATOM 944 O VAL A 63 30.447 -2.315 26.299 1.00 7.62 O ATOM 945 CB VAL A 63 28.827 -5.094 25.497 1.00 7.05 C ATOM 946 CG1 VAL A 63 27.478 -5.851 25.466 1.00 6.99 C ATOM 947 CG2 VAL A 63 29.087 -4.411 24.164 1.00 5.66 C ATOM 948 HA VAL A 63 28.705 -4.643 27.609 1.00 0.00 H ATOM 949 HB VAL A 63 29.623 -5.821 25.658 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.352 -6.405 26.396 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.664 -5.135 25.356 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.471 -6.544 24.625 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.333 -3.641 23.999 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.077 -3.955 24.178 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.037 -5.149 23.363 1.00 0.00 H ATOM 956 H VAL A 63 27.944 -2.265 25.981 1.00 0.00 H ATOM 957 N ALA A 64 31.259 -4.175 27.241 1.00 7.59 N ATOM 958 CA ALA A 64 32.628 -3.659 27.225 1.00 7.80 C ATOM 959 C ALA A 64 33.109 -3.504 25.785 1.00 7.60 C ATOM 960 O ALA A 64 32.873 -4.388 24.951 1.00 7.53 O ATOM 961 CB ALA A 64 33.549 -4.584 28.000 1.00 8.26 C ATOM 962 HA ALA A 64 32.644 -2.681 27.705 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.207 -4.654 29.032 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.536 -5.574 27.544 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.564 -4.186 27.979 1.00 0.00 H ATOM 966 H ALA A 64 31.059 -5.111 27.647 1.00 0.00 H ATOM 967 N CYS A 65 33.803 -2.393 25.510 1.00 7.27 N ATOM 968 CA CYS A 65 34.501 -2.191 24.230 1.00 7.39 C ATOM 969 C CYS A 65 35.769 -3.024 24.202 1.00 6.51 C ATOM 970 O CYS A 65 36.348 -3.305 25.244 1.00 6.59 O ATOM 971 CB CYS A 65 34.947 -0.740 24.053 1.00 6.84 C ATOM 972 SG CYS A 65 33.622 0.470 24.089 1.00 8.64 S ATOM 973 HA CYS A 65 33.802 -2.473 23.443 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.455 -0.657 23.092 1.00 0.00 H ATOM 975 HB3 CYS A 65 35.646 -0.501 24.854 1.00 0.00 H ATOM 976 H CYS A 65 33.851 -1.643 26.229 1.00 0.00 H ATOM 977 N LYS A 66 36.230 -3.351 23.002 1.00 6.73 N ATOM 978 CA LYS A 66 37.497 -4.093 22.840 1.00 6.98 C ATOM 979 C LYS A 66 38.684 -3.457 23.559 1.00 7.19 C ATOM 980 O LYS A 66 39.545 -4.177 24.078 1.00 7.64 O ATOM 981 CB LYS A 66 37.816 -4.312 21.356 1.00 7.27 C ATOM 982 CG LYS A 66 36.910 -5.344 20.711 1.00 7.79 C ATOM 983 CD LYS A 66 37.235 -5.559 19.245 1.00 11.14 C ATOM 984 CE LYS A 66 36.378 -6.684 18.690 1.00 13.42 C ATOM 985 NZ LYS A 66 36.650 -6.929 17.249 1.00 17.92 N ATOM 986 HA LYS A 66 37.338 -5.058 23.321 1.00 0.00 H ATOM 987 HB2 LYS A 66 37.697 -3.365 20.830 1.00 0.00 H ATOM 988 HB3 LYS A 66 38.849 -4.649 21.267 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.025 -6.291 21.239 1.00 0.00 H ATOM 990 HG3 LYS A 66 35.877 -5.006 20.796 1.00 0.00 H ATOM 991 HD2 LYS A 66 37.033 -4.642 18.691 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.288 -5.821 19.142 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.327 -6.420 18.811 1.00 0.00 H ATOM 994 HE3 LYS A 66 36.588 -7.596 19.249 1.00 0.00 H ATOM 995 HZ1 LYS A 66 36.445 -6.065 16.707 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.649 -7.189 17.125 1.00 0.00 H ATOM 997 HZ3 LYS A 66 36.045 -7.704 16.910 1.00 0.00 H ATOM 998 H LYS A 66 35.688 -3.079 22.157 1.00 0.00 H ATOM 999 N ASN A 67 38.716 -2.124 23.605 1.00 7.48 N ATOM 1000 CA ASN A 67 39.792 -1.382 24.274 1.00 8.40 C ATOM 1001 C ASN A 67 39.622 -1.267 25.792 1.00 8.03 C ATOM 1002 O ASN A 67 40.436 -0.634 26.463 1.00 8.30 O ATOM 1003 CB ASN A 67 39.954 0.025 23.661 1.00 8.17 C ATOM 1004 CG ASN A 67 38.774 0.940 23.957 1.00 8.51 C ATOM 1005 OD1 ASN A 67 37.876 0.593 24.709 1.00 8.24 O ATOM 1006 ND2 ASN A 67 38.793 2.145 23.367 1.00 11.40 N ATOM 1007 HA ASN A 67 40.694 -1.970 24.105 1.00 0.00 H ATOM 1008 HB2 ASN A 67 40.857 0.480 24.067 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.054 -0.076 22.580 1.00 0.00 H ATOM 1010 HD22 ASN A 67 39.577 2.401 22.733 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.024 2.823 23.544 1.00 0.00 H ATOM 1012 H ASN A 67 37.949 -1.590 23.149 1.00 0.00 H ATOM 1013 N GLY A 68 38.561 -1.857 26.332 1.00 7.57 N ATOM 1014 CA GLY A 68 38.350 -1.821 27.768 1.00 8.04 C ATOM 1015 C GLY A 68 37.475 -0.693 28.279 1.00 8.23 C ATOM 1016 O GLY A 68 37.143 -0.660 29.463 1.00 8.25 O ATOM 1017 HA3 GLY A 68 39.325 -1.732 28.247 1.00 0.00 H ATOM 1018 HA2 GLY A 68 37.887 -2.763 28.062 1.00 0.00 H ATOM 1019 H GLY A 68 37.877 -2.348 25.722 1.00 0.00 H ATOM 1020 N GLN A 69 37.119 0.244 27.404 1.00 8.52 N ATOM 1021 CA GLN A 69 36.168 1.284 27.775 1.00 8.76 C ATOM 1022 C GLN A 69 34.773 0.672 27.930 1.00 9.43 C ATOM 1023 O GLN A 69 34.503 -0.436 27.434 1.00 10.01 O ATOM 1024 CB GLN A 69 36.164 2.418 26.745 1.00 8.60 C ATOM 1025 CG GLN A 69 37.037 3.607 27.088 1.00 10.26 C ATOM 1026 CD GLN A 69 36.956 4.681 26.031 1.00 10.08 C ATOM 1027 OE1 GLN A 69 37.794 4.723 25.131 1.00 11.74 O ATOM 1028 NE2 GLN A 69 35.923 5.537 26.107 1.00 7.54 N ATOM 1029 HA GLN A 69 36.470 1.715 28.729 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.508 2.011 25.794 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.139 2.772 26.638 1.00 0.00 H ATOM 1032 HG2 GLN A 69 36.710 4.023 28.041 1.00 0.00 H ATOM 1033 HG3 GLN A 69 38.071 3.273 27.175 1.00 0.00 H ATOM 1034 HE22 GLN A 69 35.241 5.460 26.888 1.00 0.00 H ATOM 1035 HE21 GLN A 69 35.806 6.276 25.385 1.00 0.00 H ATOM 1036 H GLN A 69 37.523 0.234 26.446 1.00 0.00 H ATOM 1037 N THR A 70 33.899 1.393 28.630 1.00 9.66 N ATOM 1038 CA THR A 70 32.594 0.882 29.026 1.00 9.97 C ATOM 1039 C THR A 70 31.465 1.432 28.154 1.00 9.40 C ATOM 1040 O THR A 70 30.290 1.163 28.411 1.00 10.14 O ATOM 1041 CB THR A 70 32.295 1.193 30.527 1.00 9.90 C ATOM 1042 OG1 THR A 70 32.113 2.605 30.707 1.00 12.84 O ATOM 1043 CG2 THR A 70 33.441 0.739 31.407 1.00 11.59 C ATOM 1044 HA THR A 70 32.634 -0.198 28.885 1.00 0.00 H ATOM 1045 HB THR A 70 31.388 0.657 30.808 1.00 0.00 H ATOM 1046 HG1 THR A 70 31.353 2.912 30.152 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.592 -0.333 31.281 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.349 1.271 31.122 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.204 0.954 32.449 1.00 0.00 H ATOM 1050 H THR A 70 34.159 2.362 28.905 1.00 0.00 H ATOM 1051 N ASN A 71 31.821 2.190 27.117 1.00 8.16 N ATOM 1052 CA ASN A 71 30.820 2.947 26.366 1.00 7.70 C ATOM 1053 C ASN A 71 30.410 2.288 25.061 1.00 7.42 C ATOM 1054 O ASN A 71 30.088 2.984 24.099 1.00 7.03 O ATOM 1055 CB ASN A 71 31.283 4.396 26.112 1.00 7.43 C ATOM 1056 CG ASN A 71 32.526 4.487 25.236 1.00 8.53 C ATOM 1057 OD1 ASN A 71 33.529 3.808 25.477 1.00 7.98 O ATOM 1058 ND2 ASN A 71 32.480 5.381 24.236 1.00 8.68 N ATOM 1059 HA ASN A 71 29.933 2.962 27.000 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.474 4.937 25.622 1.00 0.00 H ATOM 1061 HB3 ASN A 71 31.501 4.863 27.072 1.00 0.00 H ATOM 1062 HD22 ASN A 71 31.613 5.931 24.070 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.311 5.524 23.627 1.00 0.00 H ATOM 1064 H ASN A 71 32.822 2.244 26.839 1.00 0.00 H ATOM 1065 N CYS A 72 30.422 0.954 25.033 1.00 6.96 N ATOM 1066 CA CYS A 72 29.959 0.234 23.846 1.00 7.43 C ATOM 1067 C CYS A 72 28.571 -0.347 24.029 1.00 7.22 C ATOM 1068 O CYS A 72 28.140 -0.619 25.142 1.00 7.99 O ATOM 1069 CB CYS A 72 30.953 -0.840 23.422 1.00 7.62 C ATOM 1070 SG CYS A 72 32.373 -0.087 22.591 1.00 9.07 S ATOM 1071 HA CYS A 72 29.894 0.967 23.042 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.463 -1.535 22.740 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.297 -1.381 24.304 1.00 0.00 H ATOM 1074 H CYS A 72 30.762 0.423 25.860 1.00 0.00 H ATOM 1075 N TYR A 73 27.884 -0.535 22.911 1.00 7.24 N ATOM 1076 CA TYR A 73 26.493 -0.982 22.925 1.00 7.09 C ATOM 1077 C TYR A 73 26.265 -1.956 21.792 1.00 6.63 C ATOM 1078 O TYR A 73 26.680 -1.710 20.652 1.00 6.75 O ATOM 1079 CB TYR A 73 25.529 0.214 22.803 1.00 7.37 C ATOM 1080 CG TYR A 73 25.693 1.156 23.963 1.00 8.74 C ATOM 1081 CD1 TYR A 73 26.704 2.125 23.939 1.00 9.03 C ATOM 1082 CD2 TYR A 73 24.903 1.045 25.113 1.00 10.45 C ATOM 1083 CE1 TYR A 73 26.909 2.974 24.997 1.00 10.02 C ATOM 1084 CE2 TYR A 73 25.111 1.899 26.189 1.00 10.29 C ATOM 1085 CZ TYR A 73 26.126 2.859 26.112 1.00 9.86 C ATOM 1086 OH TYR A 73 26.383 3.729 27.143 1.00 11.19 O ATOM 1087 HA TYR A 73 26.294 -1.478 23.875 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.503 -0.154 22.784 1.00 0.00 H ATOM 1089 HB2 TYR A 73 25.739 0.749 21.876 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.122 0.286 25.165 1.00 0.00 H ATOM 1091 HE2 TYR A 73 24.491 1.822 27.082 1.00 0.00 H ATOM 1092 HE1 TYR A 73 27.689 3.734 24.949 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.343 2.206 23.059 1.00 0.00 H ATOM 1094 HH TYR A 73 27.134 4.323 26.892 1.00 0.00 H ATOM 1095 H TYR A 73 28.349 -0.359 21.997 1.00 0.00 H ATOM 1096 N GLN A 74 25.606 -3.061 22.122 1.00 6.96 N ATOM 1097 CA GLN A 74 25.274 -4.092 21.146 1.00 6.21 C ATOM 1098 C GLN A 74 23.802 -4.008 20.768 1.00 6.65 C ATOM 1099 O GLN A 74 22.938 -3.849 21.636 1.00 6.54 O ATOM 1100 CB GLN A 74 25.578 -5.460 21.748 1.00 6.54 C ATOM 1101 CG GLN A 74 25.318 -6.650 20.854 1.00 6.97 C ATOM 1102 CD GLN A 74 25.790 -7.920 21.527 1.00 11.12 C ATOM 1103 OE1 GLN A 74 26.890 -7.956 22.075 1.00 14.17 O ATOM 1104 NE2 GLN A 74 24.948 -8.950 21.535 1.00 12.94 N ATOM 1105 HA GLN A 74 25.870 -3.943 20.246 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.632 -5.475 22.026 1.00 0.00 H ATOM 1107 HB3 GLN A 74 24.966 -5.575 22.642 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.249 -6.724 20.654 1.00 0.00 H ATOM 1109 HG3 GLN A 74 25.854 -6.519 19.914 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.027 -8.873 21.057 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.210 -9.832 22.019 1.00 0.00 H ATOM 1112 H GLN A 74 25.317 -3.196 23.112 1.00 0.00 H ATOM 1113 N SER A 75 23.525 -4.093 19.466 1.00 6.74 N ATOM 1114 CA SER A 75 22.154 -4.010 18.971 1.00 7.09 C ATOM 1115 C SER A 75 21.315 -5.211 19.437 1.00 7.50 C ATOM 1116 O SER A 75 21.802 -6.337 19.452 1.00 7.32 O ATOM 1117 CB SER A 75 22.161 -3.890 17.435 1.00 7.04 C ATOM 1118 OG SER A 75 22.661 -5.060 16.800 1.00 5.96 O ATOM 1119 HA SER A 75 21.687 -3.118 19.388 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.788 -3.044 17.153 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.141 -3.715 17.093 1.00 0.00 H ATOM 1122 HG SER A 75 22.094 -5.834 17.043 1.00 0.00 H ATOM 1123 H SER A 75 24.303 -4.221 18.788 1.00 0.00 H ATOM 1124 N TYR A 76 20.066 -4.958 19.835 1.00 7.94 N ATOM 1125 CA TYR A 76 19.168 -6.035 20.259 1.00 8.85 C ATOM 1126 C TYR A 76 18.787 -6.954 19.093 1.00 9.83 C ATOM 1127 O TYR A 76 18.582 -8.157 19.278 1.00 9.43 O ATOM 1128 CB TYR A 76 17.922 -5.476 20.967 1.00 8.65 C ATOM 1129 CG TYR A 76 18.201 -4.875 22.337 1.00 8.91 C ATOM 1130 CD1 TYR A 76 18.895 -5.588 23.314 1.00 7.68 C ATOM 1131 CD2 TYR A 76 17.739 -3.596 22.661 1.00 9.01 C ATOM 1132 CE1 TYR A 76 19.148 -5.035 24.575 1.00 7.01 C ATOM 1133 CE2 TYR A 76 17.973 -3.043 23.914 1.00 7.88 C ATOM 1134 CZ TYR A 76 18.692 -3.762 24.863 1.00 8.46 C ATOM 1135 OH TYR A 76 18.934 -3.215 26.112 1.00 11.07 O ATOM 1136 HA TYR A 76 19.713 -6.645 20.980 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.205 -6.288 21.089 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.488 -4.701 20.335 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.185 -3.022 21.918 1.00 0.00 H ATOM 1140 HE2 TYR A 76 17.594 -2.049 24.152 1.00 0.00 H ATOM 1141 HE1 TYR A 76 19.700 -5.603 25.324 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.247 -6.595 23.092 1.00 0.00 H ATOM 1143 HH TYR A 76 19.455 -3.857 26.657 1.00 0.00 H ATOM 1144 H TYR A 76 19.723 -3.976 19.844 1.00 0.00 H ATOM 1145 N SER A 77 18.725 -6.386 17.892 1.00 11.03 N ATOM 1146 CA SER A 77 18.394 -7.154 16.691 1.00 12.65 C ATOM 1147 C SER A 77 19.604 -7.268 15.778 1.00 13.62 C ATOM 1148 O SER A 77 20.502 -6.426 15.835 1.00 12.08 O ATOM 1149 CB SER A 77 17.266 -6.461 15.940 1.00 12.65 C ATOM 1150 OG SER A 77 16.074 -6.457 16.710 1.00 14.42 O ATOM 1151 HA SER A 77 18.083 -8.154 16.993 1.00 0.00 H ATOM 1152 HB2 SER A 77 17.084 -6.987 15.003 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.557 -5.432 15.727 1.00 0.00 H ATOM 1154 HG SER A 77 15.356 -6.002 16.202 1.00 0.00 H ATOM 1155 H SER A 77 18.917 -5.368 17.804 1.00 0.00 H ATOM 1156 N THR A 78 19.631 -8.301 14.934 1.00 15.78 N ATOM 1157 CA THR A 78 20.644 -8.347 13.881 1.00 17.47 C ATOM 1158 C THR A 78 20.413 -7.184 12.913 1.00 18.53 C ATOM 1159 O THR A 78 19.294 -6.659 12.796 1.00 19.46 O ATOM 1160 CB THR A 78 20.693 -9.703 13.108 1.00 17.69 C ATOM 1161 OG1 THR A 78 19.512 -9.859 12.311 1.00 18.08 O ATOM 1162 CG2 THR A 78 20.841 -10.882 14.058 1.00 18.27 C ATOM 1163 HA THR A 78 21.615 -8.255 14.368 1.00 0.00 H ATOM 1164 HB THR A 78 21.568 -9.685 12.458 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.454 -9.115 11.660 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.742 -10.752 14.658 1.00 0.00 H ATOM 1167 HG21 THR A 78 19.971 -10.931 14.712 1.00 0.00 H ATOM 1168 HG22 THR A 78 20.916 -11.804 13.482 1.00 0.00 H ATOM 1169 H THR A 78 18.936 -9.069 15.025 1.00 0.00 H ATOM 1170 N MET A 79 21.486 -6.779 12.243 1.00 19.22 N ATOM 1171 CA MET A 79 21.448 -5.713 11.257 1.00 19.57 C ATOM 1172 C MET A 79 22.148 -6.169 9.992 1.00 19.81 C ATOM 1173 O MET A 79 23.033 -7.032 10.029 1.00 19.89 O ATOM 1174 CB MET A 79 22.109 -4.447 11.807 1.00 19.78 C ATOM 1175 CG MET A 79 21.310 -3.786 12.925 1.00 19.82 C ATOM 1176 SD MET A 79 21.970 -2.165 13.310 1.00 19.87 S ATOM 1177 CE MET A 79 20.618 -1.530 14.284 1.00 19.51 C ATOM 1178 HA MET A 79 20.409 -5.479 11.027 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.093 -4.711 12.194 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.220 -3.732 10.992 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.357 -4.412 13.816 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.272 -3.683 12.609 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.712 -1.514 13.679 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.465 -2.171 15.152 1.00 0.00 H ATOM 1185 HE3 MET A 79 20.854 -0.518 14.614 1.00 0.00 H ATOM 1186 H MET A 79 22.395 -7.247 12.433 1.00 0.00 H ATOM 1187 N SER A 80 21.720 -5.614 8.863 1.00 19.69 N ATOM 1188 CA SER A 80 22.342 -5.920 7.597 1.00 19.65 C ATOM 1189 C SER A 80 23.652 -5.149 7.511 1.00 19.86 C ATOM 1190 O SER A 80 23.662 -3.920 7.626 1.00 19.90 O ATOM 1191 CB SER A 80 21.422 -5.522 6.451 1.00 20.14 C ATOM 1192 OG SER A 80 22.058 -5.759 5.222 1.00 18.69 O ATOM 1193 HA SER A 80 22.533 -6.991 7.523 1.00 0.00 H ATOM 1194 HB2 SER A 80 21.179 -4.463 6.534 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.505 -6.109 6.503 1.00 0.00 H ATOM 1196 HG SER A 80 21.453 -5.498 4.483 1.00 0.00 H ATOM 1197 H SER A 80 20.922 -4.947 8.892 1.00 0.00 H ATOM 1198 N ILE A 81 24.750 -5.878 7.341 1.00 19.59 N ATOM 1199 CA ILE A 81 26.081 -5.262 7.281 1.00 20.43 C ATOM 1200 C ILE A 81 26.930 -5.825 6.146 1.00 20.25 C ATOM 1201 O ILE A 81 26.672 -6.914 5.641 1.00 20.57 O ATOM 1202 CB ILE A 81 26.861 -5.398 8.631 1.00 20.19 C ATOM 1203 CG1 ILE A 81 27.220 -6.864 8.933 1.00 21.00 C ATOM 1204 CG2 ILE A 81 26.086 -4.729 9.771 1.00 20.38 C ATOM 1205 CD1 ILE A 81 28.230 -7.055 10.052 1.00 20.90 C ATOM 1206 HA ILE A 81 25.902 -4.204 7.089 1.00 0.00 H ATOM 1207 HB ILE A 81 27.810 -4.870 8.535 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.305 -7.388 9.209 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.631 -7.307 8.026 1.00 0.00 H ATOM 1210 HD11 ILE A 81 29.160 -6.551 9.790 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.833 -6.632 10.974 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.419 -8.119 10.191 1.00 0.00 H ATOM 1213 HG21 ILE A 81 25.951 -3.671 9.545 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.112 -5.207 9.876 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.646 -4.835 10.700 1.00 0.00 H ATOM 1216 H ILE A 81 24.664 -6.910 7.248 1.00 0.00 H ATOM 1217 N THR A 82 27.949 -5.069 5.757 1.00 20.15 N ATOM 1218 CA THR A 82 28.933 -5.570 4.817 1.00 19.70 C ATOM 1219 C THR A 82 30.307 -5.340 5.408 1.00 19.34 C ATOM 1220 O THR A 82 30.664 -4.209 5.720 1.00 19.13 O ATOM 1221 CB THR A 82 28.820 -4.883 3.442 1.00 19.52 C ATOM 1222 OG1 THR A 82 27.489 -5.048 2.939 1.00 20.56 O ATOM 1223 CG2 THR A 82 29.812 -5.502 2.452 1.00 19.50 C ATOM 1224 HA THR A 82 28.757 -6.633 4.652 1.00 0.00 H ATOM 1225 HB THR A 82 29.049 -3.824 3.557 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.846 -4.637 3.570 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.826 -5.379 2.831 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.593 -6.563 2.336 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.720 -5.003 1.487 1.00 0.00 H ATOM 1230 H THR A 82 28.043 -4.103 6.132 1.00 0.00 H ATOM 1231 N ASP A 83 31.058 -6.420 5.596 1.00 19.50 N ATOM 1232 CA ASP A 83 32.450 -6.295 6.025 1.00 20.05 C ATOM 1233 C ASP A 83 33.326 -6.184 4.784 1.00 19.80 C ATOM 1234 O ASP A 83 33.134 -6.935 3.821 1.00 18.69 O ATOM 1235 CB ASP A 83 32.883 -7.495 6.868 1.00 20.91 C ATOM 1236 CG ASP A 83 32.263 -7.497 8.258 1.00 23.29 C ATOM 1237 OD1 ASP A 83 32.210 -6.433 8.915 1.00 24.48 O ATOM 1238 OD2 ASP A 83 31.844 -8.582 8.713 1.00 25.53 O ATOM 1239 HA ASP A 83 32.555 -5.406 6.646 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.585 -8.408 6.353 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.968 -7.475 6.971 1.00 0.00 H ATOM 1242 H ASP A 83 30.651 -7.364 5.436 1.00 0.00 H ATOM 1243 N CYS A 84 34.277 -5.249 4.828 1.00 18.82 N ATOM 1244 CA CYS A 84 35.290 -5.077 3.793 1.00 19.19 C ATOM 1245 C CYS A 84 36.654 -5.391 4.377 1.00 18.99 C ATOM 1246 O CYS A 84 37.048 -4.813 5.387 1.00 19.20 O ATOM 1247 CB CYS A 84 35.285 -3.641 3.266 1.00 18.64 C ATOM 1248 SG CYS A 84 33.706 -3.153 2.575 1.00 19.54 S ATOM 1249 HA CYS A 84 35.068 -5.753 2.967 1.00 0.00 H ATOM 1250 HB2 CYS A 84 36.046 -3.553 2.490 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.527 -2.968 4.089 1.00 0.00 H ATOM 1252 H CYS A 84 34.297 -4.607 5.646 1.00 0.00 H ATOM 1253 N ARG A 85 37.372 -6.308 3.736 1.00 19.33 N ATOM 1254 CA ARG A 85 38.663 -6.755 4.238 1.00 19.44 C ATOM 1255 C ARG A 85 39.671 -6.738 3.100 1.00 19.50 C ATOM 1256 O ARG A 85 39.422 -7.314 2.034 1.00 19.12 O ATOM 1257 CB ARG A 85 38.524 -8.156 4.842 1.00 19.97 C ATOM 1258 CG ARG A 85 39.818 -8.833 5.227 1.00 21.58 C ATOM 1259 CD ARG A 85 39.531 -10.219 5.765 1.00 24.93 C ATOM 1260 NE ARG A 85 40.727 -11.049 5.881 1.00 26.89 N ATOM 1261 CZ ARG A 85 40.780 -12.197 6.558 1.00 27.74 C ATOM 1262 NH1 ARG A 85 39.704 -12.655 7.195 1.00 27.81 N ATOM 1263 NH2 ARG A 85 41.915 -12.886 6.609 1.00 27.88 N ATOM 1264 HA ARG A 85 39.016 -6.086 5.023 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.908 -8.076 5.738 1.00 0.00 H ATOM 1266 HB3 ARG A 85 38.019 -8.788 4.111 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.461 -8.911 4.350 1.00 0.00 H ATOM 1268 HG3 ARG A 85 40.321 -8.244 5.994 1.00 0.00 H ATOM 1269 HD2 ARG A 85 38.829 -10.713 5.093 1.00 0.00 H ATOM 1270 HD3 ARG A 85 39.079 -10.121 6.752 1.00 0.00 H ATOM 1271 HE ARG A 85 41.593 -10.724 5.405 1.00 0.00 H ATOM 1272 HH12 ARG A 85 39.753 -13.551 7.721 1.00 0.00 H ATOM 1273 HH11 ARG A 85 38.815 -12.117 7.167 1.00 0.00 H ATOM 1274 HH22 ARG A 85 41.957 -13.781 7.137 1.00 0.00 H ATOM 1275 HH21 ARG A 85 42.762 -12.530 6.121 1.00 0.00 H ATOM 1276 H ARG A 85 37.002 -6.716 2.854 1.00 0.00 H ATOM 1277 N GLU A 86 40.797 -6.061 3.319 1.00 19.58 N ATOM 1278 CA GLU A 86 41.829 -5.942 2.286 1.00 20.08 C ATOM 1279 C GLU A 86 42.403 -7.311 1.917 1.00 20.03 C ATOM 1280 O GLU A 86 42.720 -8.116 2.799 1.00 19.90 O ATOM 1281 CB GLU A 86 42.947 -4.990 2.729 1.00 20.08 C ATOM 1282 CG GLU A 86 43.786 -4.502 1.567 1.00 21.49 C ATOM 1283 CD GLU A 86 45.051 -3.772 1.976 1.00 21.81 C ATOM 1284 OE1 GLU A 86 45.724 -3.246 1.072 1.00 21.69 O ATOM 1285 OE2 GLU A 86 45.368 -3.718 3.187 1.00 22.59 O ATOM 1286 HA GLU A 86 41.357 -5.522 1.398 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.498 -4.128 3.223 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.594 -5.514 3.433 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.069 -5.364 0.963 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.179 -3.824 0.968 1.00 0.00 H ATOM 1291 H GLU A 86 40.947 -5.607 4.243 1.00 0.00 H ATOM 1292 N THR A 87 42.510 -7.571 0.612 1.00 20.24 N ATOM 1293 CA THR A 87 43.095 -8.814 0.107 1.00 20.59 C ATOM 1294 C THR A 87 44.617 -8.773 0.231 1.00 21.01 C ATOM 1295 O THR A 87 45.210 -7.703 0.395 1.00 20.92 O ATOM 1296 CB THR A 87 42.742 -9.059 -1.385 1.00 20.64 C ATOM 1297 OG1 THR A 87 43.316 -8.023 -2.196 1.00 19.65 O ATOM 1298 CG2 THR A 87 41.228 -9.105 -1.597 1.00 20.61 C ATOM 1299 HA THR A 87 42.679 -9.622 0.709 1.00 0.00 H ATOM 1300 HB THR A 87 43.154 -10.025 -1.678 1.00 0.00 H ATOM 1301 HG1 THR A 87 42.955 -7.146 -1.913 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.800 -9.894 -0.978 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.794 -8.145 -1.317 1.00 0.00 H ATOM 1304 HG22 THR A 87 41.015 -9.309 -2.646 1.00 0.00 H ATOM 1305 H THR A 87 42.166 -6.865 -0.070 1.00 0.00 H ATOM 1306 N GLY A 88 45.243 -9.943 0.148 1.00 21.33 N ATOM 1307 CA GLY A 88 46.702 -10.040 0.155 1.00 21.80 C ATOM 1308 C GLY A 88 47.353 -9.391 -1.053 1.00 22.01 C ATOM 1309 O GLY A 88 48.442 -8.818 -0.950 1.00 22.45 O ATOM 1310 HA3 GLY A 88 46.979 -11.094 0.173 1.00 0.00 H ATOM 1311 HA2 GLY A 88 47.077 -9.552 1.054 1.00 0.00 H ATOM 1312 H GLY A 88 44.679 -10.814 0.076 1.00 0.00 H ATOM 1313 N SER A 89 46.683 -9.472 -2.202 1.00 22.01 N ATOM 1314 CA SER A 89 47.228 -8.944 -3.454 1.00 22.05 C ATOM 1315 C SER A 89 46.978 -7.442 -3.625 1.00 21.80 C ATOM 1316 O SER A 89 47.494 -6.823 -4.558 1.00 22.08 O ATOM 1317 CB SER A 89 46.675 -9.722 -4.652 1.00 22.05 C ATOM 1318 OG SER A 89 45.269 -9.586 -4.741 1.00 22.94 O ATOM 1319 HA SER A 89 48.309 -9.079 -3.408 1.00 0.00 H ATOM 1320 HB2 SER A 89 46.925 -10.777 -4.538 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.129 -9.339 -5.566 1.00 0.00 H ATOM 1322 HG SER A 89 44.938 -10.097 -5.522 1.00 0.00 H ATOM 1323 H SER A 89 45.746 -9.923 -2.210 1.00 0.00 H ATOM 1324 N SER A 90 46.191 -6.860 -2.722 1.00 21.62 N ATOM 1325 CA SER A 90 45.947 -5.419 -2.731 1.00 21.20 C ATOM 1326 C SER A 90 47.233 -4.649 -2.447 1.00 21.04 C ATOM 1327 O SER A 90 47.873 -4.862 -1.418 1.00 21.46 O ATOM 1328 CB SER A 90 44.890 -5.046 -1.695 1.00 21.05 C ATOM 1329 OG SER A 90 44.826 -3.640 -1.521 1.00 20.33 O ATOM 1330 HA SER A 90 45.585 -5.149 -3.723 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.143 -5.513 -0.743 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.918 -5.409 -2.029 1.00 0.00 H ATOM 1333 HG SER A 90 45.706 -3.306 -1.213 1.00 0.00 H ATOM 1334 H SER A 90 45.738 -7.446 -1.992 1.00 0.00 H ATOM 1335 N LYS A 91 47.602 -3.759 -3.364 1.00 20.91 N ATOM 1336 CA LYS A 91 48.733 -2.859 -3.150 1.00 20.96 C ATOM 1337 C LYS A 91 48.303 -1.410 -3.375 1.00 20.73 C ATOM 1338 O LYS A 91 47.819 -1.060 -4.452 1.00 21.18 O ATOM 1339 CB LYS A 91 49.918 -3.232 -4.061 1.00 21.27 C ATOM 1340 CG LYS A 91 50.484 -4.644 -3.849 1.00 21.78 C ATOM 1341 CD LYS A 91 51.257 -4.776 -2.533 1.00 23.62 C ATOM 1342 CE LYS A 91 51.708 -6.216 -2.268 1.00 23.19 C ATOM 1343 NZ LYS A 91 52.667 -6.743 -3.289 1.00 25.23 N ATOM 1344 HA LYS A 91 49.067 -2.964 -2.118 1.00 0.00 H ATOM 1345 HB2 LYS A 91 49.586 -3.153 -5.096 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.720 -2.516 -3.882 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.657 -5.355 -3.842 1.00 0.00 H ATOM 1348 HG3 LYS A 91 51.156 -4.879 -4.674 1.00 0.00 H ATOM 1349 HD2 LYS A 91 52.137 -4.135 -2.577 1.00 0.00 H ATOM 1350 HD3 LYS A 91 50.614 -4.453 -1.714 1.00 0.00 H ATOM 1351 HE2 LYS A 91 50.827 -6.857 -2.260 1.00 0.00 H ATOM 1352 HE3 LYS A 91 52.191 -6.252 -1.291 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 52.217 -6.726 -4.227 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 53.520 -6.148 -3.302 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 52.928 -7.720 -3.046 1.00 0.00 H ATOM 1356 H LYS A 91 47.072 -3.702 -4.257 1.00 0.00 H ATOM 1357 N TYR A 92 48.461 -0.580 -2.347 1.00 20.33 N ATOM 1358 CA TYR A 92 48.213 0.853 -2.453 1.00 19.91 C ATOM 1359 C TYR A 92 48.946 1.412 -3.680 1.00 20.07 C ATOM 1360 O TYR A 92 50.096 1.038 -3.926 1.00 19.48 O ATOM 1361 CB TYR A 92 48.679 1.559 -1.171 1.00 19.68 C ATOM 1362 CG TYR A 92 48.437 3.047 -1.165 1.00 19.39 C ATOM 1363 CD1 TYR A 92 47.237 3.569 -0.690 1.00 19.44 C ATOM 1364 CD2 TYR A 92 49.400 3.936 -1.657 1.00 19.68 C ATOM 1365 CE1 TYR A 92 46.999 4.938 -0.689 1.00 19.44 C ATOM 1366 CE2 TYR A 92 49.174 5.305 -1.659 1.00 19.55 C ATOM 1367 CZ TYR A 92 47.969 5.798 -1.171 1.00 19.53 C ATOM 1368 OH TYR A 92 47.736 7.155 -1.169 1.00 19.50 O ATOM 1369 HA TYR A 92 47.145 1.031 -2.574 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.749 1.385 -1.054 1.00 0.00 H ATOM 1371 HB2 TYR A 92 48.147 1.122 -0.326 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.342 3.547 -2.044 1.00 0.00 H ATOM 1373 HE2 TYR A 92 49.934 5.987 -2.040 1.00 0.00 H ATOM 1374 HE1 TYR A 92 46.055 5.331 -0.311 1.00 0.00 H ATOM 1375 HD1 TYR A 92 46.471 2.892 -0.312 1.00 0.00 H ATOM 1376 HH TYR A 92 46.838 7.334 -0.792 1.00 0.00 H ATOM 1377 H TYR A 92 48.773 -0.968 -1.434 1.00 0.00 H ATOM 1378 N PRO A 93 48.295 2.310 -4.454 1.00 20.40 N ATOM 1379 CA PRO A 93 46.972 2.942 -4.296 1.00 20.57 C ATOM 1380 C PRO A 93 45.778 2.159 -4.863 1.00 20.77 C ATOM 1381 O PRO A 93 44.642 2.646 -4.807 1.00 21.52 O ATOM 1382 CB PRO A 93 47.141 4.250 -5.071 1.00 20.47 C ATOM 1383 CG PRO A 93 48.052 3.882 -6.189 1.00 20.80 C ATOM 1384 CD PRO A 93 48.978 2.800 -5.667 1.00 20.50 C ATOM 1385 HA PRO A 93 46.724 3.032 -3.238 1.00 0.00 H ATOM 1386 HD3 PRO A 93 49.093 2.000 -6.399 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.958 3.211 -5.423 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.630 4.751 -6.503 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.475 3.506 -7.034 1.00 0.00 H ATOM 1390 HB2 PRO A 93 46.182 4.604 -5.451 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.588 5.020 -4.442 1.00 0.00 H ATOM 1392 N ASN A 94 46.025 0.966 -5.392 1.00 20.74 N ATOM 1393 CA ASN A 94 44.961 0.136 -5.959 1.00 20.78 C ATOM 1394 C ASN A 94 44.396 -0.809 -4.917 1.00 20.12 C ATOM 1395 O ASN A 94 44.618 -2.023 -4.972 1.00 19.98 O ATOM 1396 CB ASN A 94 45.484 -0.655 -7.161 1.00 21.21 C ATOM 1397 CG ASN A 94 45.738 0.218 -8.374 1.00 23.05 C ATOM 1398 OD1 ASN A 94 45.530 1.434 -8.342 1.00 25.69 O ATOM 1399 ND2 ASN A 94 46.194 -0.404 -9.457 1.00 26.01 N ATOM 1400 HA ASN A 94 44.160 0.796 -6.292 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.418 -1.140 -6.879 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.748 -1.414 -7.426 1.00 0.00 H ATOM 1403 HD22 ASN A 94 46.355 -1.431 -9.438 1.00 0.00 H ATOM 1404 HD21 ASN A 94 46.390 0.137 -10.323 1.00 0.00 H ATOM 1405 H ASN A 94 47.003 0.611 -5.404 1.00 0.00 H ATOM 1406 N CYS A 95 43.671 -0.241 -3.956 1.00 19.42 N ATOM 1407 CA CYS A 95 43.183 -1.001 -2.823 1.00 19.20 C ATOM 1408 C CYS A 95 42.086 -1.969 -3.231 1.00 19.00 C ATOM 1409 O CYS A 95 41.110 -1.589 -3.889 1.00 20.07 O ATOM 1410 CB CYS A 95 42.712 -0.061 -1.714 1.00 18.81 C ATOM 1411 SG CYS A 95 44.017 1.088 -1.209 1.00 18.76 S ATOM 1412 HA CYS A 95 44.008 -1.599 -2.436 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.411 -0.655 -0.851 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.858 0.511 -2.075 1.00 0.00 H ATOM 1415 H CYS A 95 43.449 0.773 -4.020 1.00 0.00 H ATOM 1416 N ALA A 96 42.271 -3.225 -2.838 1.00 18.45 N ATOM 1417 CA ALA A 96 41.376 -4.311 -3.229 1.00 18.02 C ATOM 1418 C ALA A 96 40.802 -4.990 -1.995 1.00 17.78 C ATOM 1419 O ALA A 96 41.525 -5.250 -1.030 1.00 17.35 O ATOM 1420 CB ALA A 96 42.098 -5.315 -4.109 1.00 18.16 C ATOM 1421 HA ALA A 96 40.553 -3.889 -3.807 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.458 -4.815 -5.008 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.942 -5.735 -3.562 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.410 -6.114 -4.387 1.00 0.00 H ATOM 1425 H ALA A 96 43.085 -3.443 -2.228 1.00 0.00 H ATOM 1426 N TYR A 97 39.501 -5.265 -2.042 1.00 17.46 N ATOM 1427 CA TYR A 97 38.752 -5.756 -0.888 1.00 17.55 C ATOM 1428 C TYR A 97 37.849 -6.930 -1.210 1.00 18.13 C ATOM 1429 O TYR A 97 37.250 -7.003 -2.292 1.00 18.03 O ATOM 1430 CB TYR A 97 37.896 -4.633 -0.286 1.00 17.27 C ATOM 1431 CG TYR A 97 38.714 -3.528 0.302 1.00 16.77 C ATOM 1432 CD1 TYR A 97 39.072 -2.421 -0.467 1.00 17.21 C ATOM 1433 CD2 TYR A 97 39.147 -3.590 1.633 1.00 17.35 C ATOM 1434 CE1 TYR A 97 39.850 -1.412 0.061 1.00 17.11 C ATOM 1435 CE2 TYR A 97 39.923 -2.582 2.178 1.00 18.31 C ATOM 1436 CZ TYR A 97 40.273 -1.493 1.384 1.00 17.36 C ATOM 1437 OH TYR A 97 41.032 -0.476 1.920 1.00 18.34 O ATOM 1438 HA TYR A 97 39.501 -6.099 -0.174 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.268 -5.056 0.498 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.264 -4.218 -1.071 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.868 -4.445 2.249 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.256 -2.640 3.214 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.132 -0.557 -0.554 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.732 -2.352 -1.500 1.00 0.00 H ATOM 1445 HH TYR A 97 40.550 -0.074 2.686 1.00 0.00 H ATOM 1446 H TYR A 97 38.995 -5.124 -2.940 1.00 0.00 H ATOM 1447 N LYS A 98 37.782 -7.853 -0.259 1.00 18.31 N ATOM 1448 CA LYS A 98 36.800 -8.924 -0.259 1.00 19.38 C ATOM 1449 C LYS A 98 35.529 -8.375 0.394 1.00 19.21 C ATOM 1450 O LYS A 98 35.584 -7.795 1.483 1.00 19.87 O ATOM 1451 CB LYS A 98 37.361 -10.128 0.505 1.00 19.02 C ATOM 1452 CG LYS A 98 36.380 -11.249 0.812 1.00 19.99 C ATOM 1453 CD LYS A 98 37.087 -12.416 1.516 1.00 20.75 C ATOM 1454 CE LYS A 98 37.773 -11.989 2.833 1.00 23.18 C ATOM 1455 NZ LYS A 98 36.823 -11.759 3.969 1.00 23.86 N ATOM 1456 HA LYS A 98 36.569 -9.262 -1.269 1.00 0.00 H ATOM 1457 HB2 LYS A 98 38.172 -10.550 -0.089 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.757 -9.765 1.453 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.591 -10.866 1.459 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.942 -11.606 -0.120 1.00 0.00 H ATOM 1461 HD2 LYS A 98 36.350 -13.187 1.740 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.843 -12.823 0.844 1.00 0.00 H ATOM 1463 HE2 LYS A 98 38.320 -11.064 2.651 1.00 0.00 H ATOM 1464 HE3 LYS A 98 38.473 -12.772 3.125 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 36.154 -11.005 3.713 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 36.300 -12.636 4.165 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 37.358 -11.476 4.815 1.00 0.00 H ATOM 1468 H LYS A 98 38.465 -7.808 0.524 1.00 0.00 H ATOM 1469 N THR A 99 34.399 -8.532 -0.296 1.00 19.53 N ATOM 1470 CA THR A 99 33.103 -8.036 0.173 1.00 18.82 C ATOM 1471 C THR A 99 32.309 -9.179 0.811 1.00 19.29 C ATOM 1472 O THR A 99 32.053 -10.192 0.166 1.00 18.76 O ATOM 1473 CB THR A 99 32.286 -7.406 -0.994 1.00 19.21 C ATOM 1474 OG1 THR A 99 32.959 -6.231 -1.470 1.00 18.89 O ATOM 1475 CG2 THR A 99 30.860 -7.032 -0.546 1.00 17.86 C ATOM 1476 HA THR A 99 33.284 -7.260 0.917 1.00 0.00 H ATOM 1477 HB THR A 99 32.210 -8.145 -1.791 1.00 0.00 H ATOM 1478 HG1 THR A 99 33.039 -5.576 -0.732 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.348 -7.924 -0.184 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.914 -6.293 0.254 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.313 -6.615 -1.391 1.00 0.00 H ATOM 1482 H THR A 99 34.440 -9.029 -1.209 1.00 0.00 H ATOM 1483 N THR A 100 31.935 -9.024 2.079 1.00 18.96 N ATOM 1484 CA THR A 100 31.162 -10.062 2.764 1.00 19.88 C ATOM 1485 C THR A 100 29.910 -9.522 3.447 1.00 20.03 C ATOM 1486 O THR A 100 30.001 -8.801 4.443 1.00 20.24 O ATOM 1487 CB THR A 100 32.008 -10.858 3.790 1.00 20.00 C ATOM 1488 OG1 THR A 100 33.196 -11.344 3.159 1.00 19.93 O ATOM 1489 CG2 THR A 100 31.213 -12.048 4.340 1.00 20.40 C ATOM 1490 HA THR A 100 30.850 -10.741 1.971 1.00 0.00 H ATOM 1491 HB THR A 100 32.267 -10.192 4.613 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.725 -10.579 2.819 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.306 -11.685 4.823 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.948 -12.716 3.521 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.822 -12.586 5.066 1.00 0.00 H ATOM 1496 H THR A 100 32.195 -8.156 2.589 1.00 0.00 H ATOM 1497 N GLN A 101 28.757 -9.906 2.900 1.00 20.45 N ATOM 1498 CA GLN A 101 27.452 -9.543 3.435 1.00 20.66 C ATOM 1499 C GLN A 101 27.051 -10.518 4.539 1.00 20.40 C ATOM 1500 O GLN A 101 27.279 -11.719 4.418 1.00 20.29 O ATOM 1501 CB GLN A 101 26.405 -9.585 2.312 1.00 21.30 C ATOM 1502 CG GLN A 101 24.975 -9.337 2.766 1.00 23.07 C ATOM 1503 CD GLN A 101 24.797 -7.974 3.394 1.00 23.50 C ATOM 1504 OE1 GLN A 101 25.354 -6.983 2.915 1.00 25.85 O ATOM 1505 NE2 GLN A 101 24.015 -7.911 4.466 1.00 24.62 N ATOM 1506 HA GLN A 101 27.505 -8.536 3.848 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.665 -8.824 1.577 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.447 -10.569 1.845 1.00 0.00 H ATOM 1509 HG2 GLN A 101 24.315 -9.413 1.902 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.703 -10.098 3.498 1.00 0.00 H ATOM 1511 HE22 GLN A 101 23.566 -8.774 4.834 1.00 0.00 H ATOM 1512 HE21 GLN A 101 23.851 -6.999 4.937 1.00 0.00 H ATOM 1513 H GLN A 101 28.791 -10.497 2.045 1.00 0.00 H ATOM 1514 N ALA A 102 26.457 -9.996 5.611 1.00 19.83 N ATOM 1515 CA ALA A 102 25.952 -10.829 6.697 1.00 19.74 C ATOM 1516 C ALA A 102 24.897 -10.087 7.520 1.00 19.38 C ATOM 1517 O ALA A 102 24.724 -8.871 7.387 1.00 19.12 O ATOM 1518 CB ALA A 102 27.105 -11.297 7.592 1.00 20.33 C ATOM 1519 HA ALA A 102 25.475 -11.705 6.257 1.00 0.00 H ATOM 1520 HB1 ALA A 102 27.812 -11.877 6.998 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.610 -10.429 8.015 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.710 -11.917 8.397 1.00 0.00 H ATOM 1523 H ALA A 102 26.350 -8.964 5.676 1.00 0.00 H ATOM 1524 N ASN A 103 24.190 -10.832 8.363 1.00 19.27 N ATOM 1525 CA ASN A 103 23.222 -10.251 9.280 1.00 19.46 C ATOM 1526 C ASN A 103 23.637 -10.554 10.705 1.00 19.56 C ATOM 1527 O ASN A 103 23.544 -11.696 11.165 1.00 19.52 O ATOM 1528 CB ASN A 103 21.813 -10.768 8.992 1.00 19.63 C ATOM 1529 CG ASN A 103 21.282 -10.271 7.674 1.00 21.15 C ATOM 1530 OD1 ASN A 103 20.789 -9.147 7.571 1.00 23.56 O ATOM 1531 ND2 ASN A 103 21.374 -11.107 6.651 1.00 24.26 N ATOM 1532 HA ASN A 103 23.202 -9.170 9.140 1.00 0.00 H ATOM 1533 HB2 ASN A 103 21.836 -11.858 8.973 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.147 -10.434 9.787 1.00 0.00 H ATOM 1535 HD22 ASN A 103 21.798 -12.047 6.784 1.00 0.00 H ATOM 1536 HD21 ASN A 103 21.022 -10.823 5.714 1.00 0.00 H ATOM 1537 H ASN A 103 24.333 -11.862 8.367 1.00 0.00 H ATOM 1538 N LYS A 104 24.118 -9.522 11.389 1.00 19.43 N ATOM 1539 CA LYS A 104 24.743 -9.699 12.686 1.00 20.17 C ATOM 1540 C LYS A 104 24.378 -8.556 13.614 1.00 19.61 C ATOM 1541 O LYS A 104 23.923 -7.500 13.176 1.00 19.51 O ATOM 1542 CB LYS A 104 26.272 -9.758 12.536 1.00 20.32 C ATOM 1543 CG LYS A 104 26.782 -10.881 11.637 1.00 21.05 C ATOM 1544 CD LYS A 104 28.301 -10.835 11.480 1.00 21.48 C ATOM 1545 CE LYS A 104 29.010 -11.360 12.729 1.00 23.55 C ATOM 1546 NZ LYS A 104 30.484 -11.469 12.527 1.00 24.11 N ATOM 1547 HA LYS A 104 24.382 -10.635 13.111 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.609 -8.809 12.119 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.706 -9.893 13.527 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.501 -11.839 12.074 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.322 -10.783 10.654 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.588 -11.448 10.626 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.608 -9.804 11.305 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.613 -12.346 12.972 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.817 -10.678 13.557 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.678 -12.123 11.742 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.872 -10.531 12.301 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.926 -11.828 13.397 1.00 0.00 H ATOM 1559 H LYS A 104 24.045 -8.566 10.986 1.00 0.00 H ATOM 1560 N HIS A 105 24.579 -8.783 14.907 1.00 19.33 N ATOM 1561 CA HIS A 105 24.417 -7.731 15.894 1.00 19.11 C ATOM 1562 C HIS A 105 25.628 -6.814 15.797 1.00 18.89 C ATOM 1563 O HIS A 105 26.766 -7.289 15.717 1.00 19.79 O ATOM 1564 CB HIS A 105 24.266 -8.334 17.301 1.00 19.37 C ATOM 1565 CG HIS A 105 23.093 -9.264 17.430 1.00 19.50 C ATOM 1566 ND1 HIS A 105 21.863 -8.852 17.899 1.00 19.98 N ATOM 1567 CD2 HIS A 105 22.956 -10.576 17.122 1.00 20.32 C ATOM 1568 CE1 HIS A 105 21.023 -9.873 17.884 1.00 21.99 C ATOM 1569 NE2 HIS A 105 21.659 -10.930 17.416 1.00 20.44 N ATOM 1570 HA HIS A 105 23.511 -7.155 15.703 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.174 -8.888 17.539 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.141 -7.519 18.015 1.00 0.00 H ATOM 1573 HD2 HIS A 105 23.729 -11.229 16.717 1.00 0.00 H ATOM 1574 HE1 HIS A 105 19.981 -9.846 18.204 1.00 0.00 H ATOM 1575 H HIS A 105 24.858 -9.735 15.219 1.00 0.00 H ATOM 1576 N ILE A 106 25.404 -5.507 15.759 1.00 17.79 N ATOM 1577 CA ILE A 106 26.567 -4.597 15.748 1.00 15.79 C ATOM 1578 C ILE A 106 26.895 -4.105 17.150 1.00 14.58 C ATOM 1579 O ILE A 106 26.023 -4.041 18.014 1.00 15.19 O ATOM 1580 CB ILE A 106 26.393 -3.405 14.763 1.00 16.42 C ATOM 1581 CG1 ILE A 106 25.312 -2.413 15.252 1.00 17.86 C ATOM 1582 CG2 ILE A 106 26.120 -3.946 13.343 1.00 17.15 C ATOM 1583 CD1 ILE A 106 25.303 -1.060 14.491 1.00 16.45 C ATOM 1584 HA ILE A 106 27.411 -5.181 15.383 1.00 0.00 H ATOM 1585 HB ILE A 106 27.318 -2.830 14.727 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.336 -2.882 15.129 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.486 -2.211 16.309 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.269 -0.569 14.613 1.00 0.00 H ATOM 1589 HD12 ILE A 106 25.118 -1.241 13.432 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.516 -0.423 14.895 1.00 0.00 H ATOM 1591 HG21 ILE A 106 26.960 -4.563 13.023 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.210 -4.546 13.353 1.00 0.00 H ATOM 1593 HG23 ILE A 106 25.998 -3.110 12.654 1.00 0.00 H ATOM 1594 H ILE A 106 24.434 -5.133 15.738 1.00 0.00 H ATOM 1595 N ILE A 107 28.171 -3.791 17.373 1.00 10.78 N ATOM 1596 CA ILE A 107 28.606 -3.159 18.614 1.00 8.72 C ATOM 1597 C ILE A 107 29.294 -1.842 18.257 1.00 8.47 C ATOM 1598 O ILE A 107 30.266 -1.841 17.496 1.00 7.46 O ATOM 1599 CB ILE A 107 29.560 -4.059 19.420 1.00 8.69 C ATOM 1600 CG1 ILE A 107 28.879 -5.392 19.769 1.00 7.35 C ATOM 1601 CG2 ILE A 107 30.068 -3.324 20.672 1.00 8.11 C ATOM 1602 CD1 ILE A 107 29.826 -6.438 20.374 1.00 8.72 C ATOM 1603 HA ILE A 107 27.736 -2.983 19.246 1.00 0.00 H ATOM 1604 HB ILE A 107 30.430 -4.291 18.805 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.084 -5.193 20.487 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.448 -5.806 18.857 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.622 -6.659 19.663 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.258 -6.046 21.295 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.268 -7.349 20.592 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.602 -2.422 20.371 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.220 -3.053 21.302 1.00 0.00 H ATOM 1612 HG23 ILE A 107 30.741 -3.977 21.228 1.00 0.00 H ATOM 1613 H ILE A 107 28.878 -4.003 16.640 1.00 0.00 H ATOM 1614 N VAL A 108 28.771 -0.739 18.791 1.00 8.49 N ATOM 1615 CA VAL A 108 29.318 0.606 18.533 1.00 7.88 C ATOM 1616 C VAL A 108 29.676 1.316 19.850 1.00 8.24 C ATOM 1617 O VAL A 108 29.103 1.014 20.899 1.00 8.06 O ATOM 1618 CB VAL A 108 28.335 1.490 17.706 1.00 8.17 C ATOM 1619 CG1 VAL A 108 28.127 0.901 16.299 1.00 7.91 C ATOM 1620 CG2 VAL A 108 26.982 1.650 18.434 1.00 7.62 C ATOM 1621 HA VAL A 108 30.224 0.469 17.943 1.00 0.00 H ATOM 1622 HB VAL A 108 28.780 2.480 17.603 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.084 0.857 15.780 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.712 -0.103 16.385 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.438 1.534 15.740 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.531 0.669 18.579 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.146 2.123 19.402 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.318 2.271 17.832 1.00 0.00 H ATOM 1629 H VAL A 108 27.944 -0.830 19.415 1.00 0.00 H ATOM 1630 N ALA A 109 30.665 2.198 19.788 1.00 7.51 N ATOM 1631 CA ALA A 109 31.014 3.063 20.909 1.00 7.49 C ATOM 1632 C ALA A 109 30.259 4.366 20.716 1.00 7.83 C ATOM 1633 O ALA A 109 30.234 4.912 19.608 1.00 8.48 O ATOM 1634 CB ALA A 109 32.500 3.336 20.922 1.00 7.54 C ATOM 1635 HA ALA A 109 30.751 2.588 21.854 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.040 2.394 21.018 1.00 0.00 H ATOM 1637 HB2 ALA A 109 32.786 3.827 19.992 1.00 0.00 H ATOM 1638 HB3 ALA A 109 32.742 3.983 21.765 1.00 0.00 H ATOM 1639 H ALA A 109 31.212 2.275 18.907 1.00 0.00 H ATOM 1640 N CYS A 110 29.660 4.856 21.793 1.00 7.69 N ATOM 1641 CA CYS A 110 28.895 6.100 21.738 1.00 7.81 C ATOM 1642 C CYS A 110 29.474 7.150 22.672 1.00 7.05 C ATOM 1643 O CYS A 110 29.989 6.838 23.755 1.00 6.99 O ATOM 1644 CB CYS A 110 27.425 5.848 22.064 1.00 8.74 C ATOM 1645 SG CYS A 110 26.675 4.567 21.046 1.00 10.26 S ATOM 1646 HA CYS A 110 28.964 6.483 20.720 1.00 0.00 H ATOM 1647 HB2 CYS A 110 26.874 6.776 21.913 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.349 5.547 23.109 1.00 0.00 H ATOM 1649 H CYS A 110 29.736 4.344 22.695 1.00 0.00 H ATOM 1650 N GLU A 111 29.369 8.402 22.245 1.00 6.57 N ATOM 1651 CA GLU A 111 29.905 9.535 23.000 1.00 6.28 C ATOM 1652 C GLU A 111 29.092 10.762 22.661 1.00 6.47 C ATOM 1653 O GLU A 111 28.442 10.815 21.601 1.00 6.24 O ATOM 1654 CB GLU A 111 31.349 9.825 22.603 1.00 6.66 C ATOM 1655 CG GLU A 111 32.362 8.761 23.034 1.00 7.51 C ATOM 1656 CD GLU A 111 33.781 9.188 22.776 1.00 11.57 C ATOM 1657 OE1 GLU A 111 34.679 8.678 23.466 1.00 12.97 O ATOM 1658 OE2 GLU A 111 33.994 10.033 21.882 1.00 12.29 O ATOM 1659 HA GLU A 111 29.860 9.293 24.062 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.391 9.913 21.517 1.00 0.00 H ATOM 1661 HB3 GLU A 111 31.641 10.773 23.054 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.241 8.572 24.101 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.165 7.844 22.479 1.00 0.00 H ATOM 1664 H GLU A 111 28.888 8.585 21.341 1.00 0.00 H ATOM 1665 N GLY A 112 29.164 11.749 23.554 1.00 6.27 N ATOM 1666 CA GLY A 112 28.686 13.095 23.273 1.00 6.61 C ATOM 1667 C GLY A 112 27.316 13.432 23.810 1.00 7.92 C ATOM 1668 O GLY A 112 26.642 12.596 24.421 1.00 7.45 O ATOM 1669 HA3 GLY A 112 28.662 13.222 22.191 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.397 13.799 23.705 1.00 0.00 H ATOM 1671 H GLY A 112 29.578 11.550 24.487 1.00 0.00 H ATOM 1672 N ASN A 113 26.932 14.687 23.593 1.00 8.27 N ATOM 1673 CA ASN A 113 25.562 15.148 23.778 1.00 9.55 C ATOM 1674 C ASN A 113 25.155 15.909 22.520 1.00 9.83 C ATOM 1675 O ASN A 113 25.564 17.060 22.341 1.00 10.53 O ATOM 1676 CB ASN A 113 25.447 16.039 25.008 1.00 9.52 C ATOM 1677 CG ASN A 113 24.000 16.419 25.327 1.00 10.07 C ATOM 1678 OD1 ASN A 113 23.053 15.866 24.759 1.00 10.58 O ATOM 1679 ND2 ASN A 113 23.831 17.350 26.251 1.00 13.26 N ATOM 1680 HA ASN A 113 24.899 14.297 23.938 1.00 0.00 H ATOM 1681 HB2 ASN A 113 25.866 15.509 25.864 1.00 0.00 H ATOM 1682 HB3 ASN A 113 26.017 16.951 24.833 1.00 0.00 H ATOM 1683 HD22 ASN A 113 24.658 17.789 26.704 1.00 0.00 H ATOM 1684 HD21 ASN A 113 22.871 17.643 26.525 1.00 0.00 H ATOM 1685 H ASN A 113 27.645 15.374 23.275 1.00 0.00 H ATOM 1686 N PRO A 114 24.341 15.279 21.647 1.00 10.12 N ATOM 1687 CA PRO A 114 23.644 13.996 21.832 1.00 9.63 C ATOM 1688 C PRO A 114 24.558 12.765 21.827 1.00 9.31 C ATOM 1689 O PRO A 114 25.653 12.785 21.259 1.00 8.87 O ATOM 1690 CB PRO A 114 22.688 13.950 20.638 1.00 10.27 C ATOM 1691 CG PRO A 114 23.412 14.719 19.579 1.00 10.13 C ATOM 1692 CD PRO A 114 24.070 15.850 20.315 1.00 9.91 C ATOM 1693 HA PRO A 114 23.165 13.954 22.810 1.00 0.00 H ATOM 1694 HD3 PRO A 114 24.995 16.150 19.823 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.403 16.709 20.387 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.713 15.099 18.834 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.158 14.092 19.090 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.510 12.923 20.321 1.00 0.00 H ATOM 1699 HB3 PRO A 114 21.737 14.423 20.882 1.00 0.00 H ATOM 1700 N TYR A 115 24.093 11.712 22.483 1.00 8.75 N ATOM 1701 CA TYR A 115 24.847 10.465 22.621 1.00 8.06 C ATOM 1702 C TYR A 115 24.686 9.609 21.371 1.00 8.27 C ATOM 1703 O TYR A 115 23.626 9.012 21.136 1.00 9.17 O ATOM 1704 CB TYR A 115 24.341 9.724 23.844 1.00 8.07 C ATOM 1705 CG TYR A 115 25.303 8.731 24.449 1.00 6.66 C ATOM 1706 CD1 TYR A 115 26.586 9.119 24.856 1.00 6.38 C ATOM 1707 CD2 TYR A 115 24.902 7.419 24.695 1.00 6.99 C ATOM 1708 CE1 TYR A 115 27.466 8.185 25.459 1.00 6.71 C ATOM 1709 CE2 TYR A 115 25.754 6.505 25.292 1.00 6.59 C ATOM 1710 CZ TYR A 115 27.031 6.891 25.669 1.00 7.40 C ATOM 1711 OH TYR A 115 27.867 5.983 26.285 1.00 7.52 O ATOM 1712 HA TYR A 115 25.908 10.686 22.742 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.437 9.185 23.560 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.097 10.463 24.607 1.00 0.00 H ATOM 1715 HD2 TYR A 115 23.897 7.106 24.412 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.420 5.482 25.466 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.472 8.484 25.753 1.00 0.00 H ATOM 1718 HD1 TYR A 115 26.911 10.149 24.708 1.00 0.00 H ATOM 1719 HH TYR A 115 27.450 5.671 27.127 1.00 0.00 H ATOM 1720 H TYR A 115 23.151 11.774 22.919 1.00 0.00 H ATOM 1721 N VAL A 116 25.731 9.575 20.553 1.00 8.14 N ATOM 1722 CA VAL A 116 25.639 9.015 19.202 1.00 7.81 C ATOM 1723 C VAL A 116 26.839 8.102 18.893 1.00 8.58 C ATOM 1724 O VAL A 116 27.871 8.193 19.576 1.00 8.16 O ATOM 1725 CB VAL A 116 25.517 10.145 18.129 1.00 7.95 C ATOM 1726 CG1 VAL A 116 24.183 10.894 18.284 1.00 7.33 C ATOM 1727 CG2 VAL A 116 26.680 11.118 18.230 1.00 6.92 C ATOM 1728 HA VAL A 116 24.734 8.409 19.161 1.00 0.00 H ATOM 1729 HB VAL A 116 25.545 9.679 17.144 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.358 10.194 18.157 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.132 11.341 19.277 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.117 11.677 17.528 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.686 11.574 19.220 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.615 10.582 18.070 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.570 11.894 17.472 1.00 0.00 H ATOM 1736 H VAL A 116 26.641 9.957 20.880 1.00 0.00 H ATOM 1737 N PRO A 117 26.697 7.194 17.896 1.00 8.84 N ATOM 1738 CA PRO A 117 27.836 6.339 17.566 1.00 8.81 C ATOM 1739 C PRO A 117 29.017 7.132 17.036 1.00 8.56 C ATOM 1740 O PRO A 117 28.865 7.988 16.148 1.00 9.00 O ATOM 1741 CB PRO A 117 27.285 5.412 16.473 1.00 8.74 C ATOM 1742 CG PRO A 117 25.810 5.408 16.695 1.00 8.80 C ATOM 1743 CD PRO A 117 25.526 6.851 17.063 1.00 8.86 C ATOM 1744 HA PRO A 117 28.213 5.811 18.442 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.472 7.483 16.176 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.598 6.940 17.628 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.536 4.734 17.506 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.276 5.120 15.789 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.525 5.799 15.483 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.693 4.407 16.578 1.00 0.00 H ATOM 1751 N VAL A 118 30.194 6.826 17.573 1.00 7.76 N ATOM 1752 CA VAL A 118 31.425 7.445 17.100 1.00 8.18 C ATOM 1753 C VAL A 118 32.478 6.419 16.661 1.00 8.09 C ATOM 1754 O VAL A 118 33.457 6.789 16.031 1.00 8.08 O ATOM 1755 CB VAL A 118 32.030 8.457 18.135 1.00 8.15 C ATOM 1756 CG1 VAL A 118 31.049 9.597 18.421 1.00 8.12 C ATOM 1757 CG2 VAL A 118 32.425 7.730 19.436 1.00 8.00 C ATOM 1758 HA VAL A 118 31.138 8.013 16.215 1.00 0.00 H ATOM 1759 HB VAL A 118 32.931 8.892 17.701 1.00 0.00 H ATOM 1760 HG11 VAL A 118 30.832 10.129 17.495 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.126 9.186 18.830 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.493 10.284 19.141 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.542 7.263 19.872 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.169 6.965 19.212 1.00 0.00 H ATOM 1765 HG23 VAL A 118 32.842 8.450 20.140 1.00 0.00 H ATOM 1766 H VAL A 118 30.237 6.131 18.346 1.00 0.00 H ATOM 1767 N HIS A 119 32.275 5.140 16.984 1.00 8.24 N ATOM 1768 CA HIS A 119 33.212 4.090 16.550 1.00 8.65 C ATOM 1769 C HIS A 119 32.473 2.794 16.293 1.00 8.01 C ATOM 1770 O HIS A 119 31.500 2.467 16.991 1.00 9.21 O ATOM 1771 CB HIS A 119 34.301 3.818 17.605 1.00 9.50 C ATOM 1772 CG HIS A 119 35.152 5.003 17.939 1.00 11.86 C ATOM 1773 ND1 HIS A 119 35.230 5.530 19.211 1.00 16.05 N ATOM 1774 CD2 HIS A 119 35.974 5.755 17.169 1.00 13.21 C ATOM 1775 CE1 HIS A 119 36.058 6.561 19.209 1.00 14.20 C ATOM 1776 NE2 HIS A 119 36.514 6.725 17.980 1.00 15.90 N ATOM 1777 HA HIS A 119 33.683 4.451 15.636 1.00 0.00 H ATOM 1778 HB2 HIS A 119 33.813 3.481 18.519 1.00 0.00 H ATOM 1779 HB3 HIS A 119 34.950 3.028 17.228 1.00 0.00 H ATOM 1780 HD2 HIS A 119 36.171 5.617 16.106 1.00 0.00 H ATOM 1781 HE1 HIS A 119 36.320 7.171 20.074 1.00 0.00 H ATOM 1782 H HIS A 119 31.442 4.881 17.551 1.00 0.00 H ATOM 1783 N PHE A 120 32.928 2.039 15.303 1.00 6.48 N ATOM 1784 CA PHE A 120 32.384 0.693 15.099 1.00 6.21 C ATOM 1785 C PHE A 120 33.333 -0.301 15.759 1.00 6.42 C ATOM 1786 O PHE A 120 34.509 -0.377 15.385 1.00 7.21 O ATOM 1787 CB PHE A 120 32.219 0.399 13.605 1.00 6.75 C ATOM 1788 CG PHE A 120 31.445 -0.849 13.331 1.00 5.94 C ATOM 1789 CD1 PHE A 120 30.079 -0.791 13.059 1.00 7.50 C ATOM 1790 CD2 PHE A 120 32.076 -2.096 13.378 1.00 7.64 C ATOM 1791 CE1 PHE A 120 29.344 -1.976 12.824 1.00 7.11 C ATOM 1792 CE2 PHE A 120 31.355 -3.272 13.140 1.00 7.67 C ATOM 1793 CZ PHE A 120 29.987 -3.209 12.862 1.00 8.69 C ATOM 1794 HA PHE A 120 31.395 0.610 15.549 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.699 1.238 13.142 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.209 0.297 13.161 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.141 -2.153 13.602 1.00 0.00 H ATOM 1798 HE2 PHE A 120 31.861 -4.237 13.172 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.425 -4.124 12.675 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.276 -1.923 12.614 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.574 0.174 13.027 1.00 0.00 H ATOM 1802 H PHE A 120 33.671 2.401 14.671 1.00 0.00 H ATOM 1803 N ASP A 121 32.845 -1.053 16.748 1.00 6.27 N ATOM 1804 CA ASP A 121 33.747 -1.877 17.544 1.00 6.84 C ATOM 1805 C ASP A 121 33.843 -3.294 17.007 1.00 6.84 C ATOM 1806 O ASP A 121 34.944 -3.850 16.878 1.00 7.78 O ATOM 1807 CB ASP A 121 33.334 -1.891 19.025 1.00 6.63 C ATOM 1808 CG ASP A 121 34.507 -2.144 19.946 1.00 7.73 C ATOM 1809 OD1 ASP A 121 35.539 -1.441 19.811 1.00 7.24 O ATOM 1810 OD2 ASP A 121 34.399 -3.051 20.803 1.00 7.53 O ATOM 1811 HA ASP A 121 34.736 -1.424 17.468 1.00 0.00 H ATOM 1812 HB2 ASP A 121 32.893 -0.926 19.275 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.594 -2.677 19.175 1.00 0.00 H ATOM 1814 H ASP A 121 31.825 -1.051 16.950 1.00 0.00 H ATOM 1815 N ALA A 122 32.690 -3.871 16.690 1.00 7.19 N ATOM 1816 CA ALA A 122 32.621 -5.298 16.341 1.00 8.04 C ATOM 1817 C ALA A 122 31.254 -5.679 15.827 1.00 8.16 C ATOM 1818 O ALA A 122 30.278 -4.950 15.989 1.00 8.36 O ATOM 1819 CB ALA A 122 32.941 -6.149 17.579 1.00 8.08 C ATOM 1820 HA ALA A 122 33.351 -5.482 15.553 1.00 0.00 H ATOM 1821 HB1 ALA A 122 33.944 -5.911 17.933 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.217 -5.933 18.364 1.00 0.00 H ATOM 1823 HB3 ALA A 122 32.889 -7.205 17.316 1.00 0.00 H ATOM 1824 H ALA A 122 31.819 -3.303 16.688 1.00 0.00 H ATOM 1825 N SER A 123 31.184 -6.858 15.223 1.00 8.67 N ATOM 1826 CA SER A 123 29.903 -7.470 14.974 1.00 9.09 C ATOM 1827 C SER A 123 29.957 -8.863 15.560 1.00 9.19 C ATOM 1828 O SER A 123 31.015 -9.502 15.569 1.00 8.99 O ATOM 1829 CB SER A 123 29.571 -7.500 13.483 1.00 9.66 C ATOM 1830 OG SER A 123 30.471 -8.321 12.761 1.00 10.72 O ATOM 1831 HA SER A 123 29.108 -6.889 15.441 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.625 -6.485 13.089 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.560 -7.886 13.354 1.00 0.00 H ATOM 1834 HG SER A 123 31.392 -7.973 12.868 1.00 0.00 H ATOM 1835 H SER A 123 32.056 -7.342 14.928 1.00 0.00 H ATOM 1836 N VAL A 124 28.822 -9.317 16.072 1.00 9.16 N ATOM 1837 CA VAL A 124 28.751 -10.626 16.706 1.00 9.39 C ATOM 1838 C VAL A 124 27.488 -11.359 16.285 1.00 9.54 C ATOM 1839 O VAL A 124 26.506 -10.743 15.861 1.00 9.75 O ATOM 1840 CB VAL A 124 28.825 -10.535 18.267 1.00 9.64 C ATOM 1841 CG1 VAL A 124 30.142 -9.904 18.709 1.00 10.79 C ATOM 1842 CG2 VAL A 124 27.645 -9.757 18.833 1.00 9.77 C ATOM 1843 HA VAL A 124 29.622 -11.188 16.369 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.439 -12.591 16.381 1.00 9.52 O ATOM 1845 HB VAL A 124 28.777 -11.550 18.660 1.00 0.00 H ATOM 1846 HG11 VAL A 124 30.973 -10.512 18.351 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.220 -8.900 18.293 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.171 -9.851 19.797 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.649 -8.746 18.426 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.716 -10.257 18.558 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.728 -9.713 19.919 1.00 0.00 H ATOM 1852 H VAL A 124 27.967 -8.728 16.020 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 19.805 -4.922 27.944 1.00 17.86 O HETATM 1855 O HOH 2 40.920 -0.816 9.684 1.00 20.58 O HETATM 1856 O HOH 3 35.089 1.141 18.958 1.00 14.74 O HETATM 1857 O HOH 4 23.207 -10.475 0.268 1.00 28.82 O HETATM 1858 O HOH 5 31.959 -7.000 25.181 1.00 11.14 O HETATM 1859 O HOH 6 32.818 -5.025 22.138 1.00 11.05 O HETATM 1860 O HOH 7 35.115 -5.440 -3.242 1.00 21.36 O HETATM 1861 O HOH 8 37.367 -0.513 21.549 1.00 12.86 O HETATM 1862 O HOH 9 24.331 1.341 -1.397 1.00 46.46 O HETATM 1863 O HOH 10 30.078 6.985 -1.093 1.00 28.60 O HETATM 1864 O HOH 11 27.169 8.977 14.176 1.00 15.45 O HETATM 1865 O HOH 12 34.094 8.722 14.321 1.00 22.20 O HETATM 1866 O HOH 13 27.189 14.305 19.657 1.00 19.02 O HETATM 1867 O HOH 14 34.581 5.899 22.379 1.00 16.02 O HETATM 1868 O HOH 15 25.166 10.531 13.884 1.00 22.87 O HETATM 1869 O HOH 16 17.846 0.006 16.681 1.00 20.99 O HETATM 1870 O HOH 17 29.577 12.270 7.231 1.00 22.02 O HETATM 1871 O HOH 18 47.965 0.396 2.286 1.00 20.58 O HETATM 1872 O HOH 19 37.062 8.200 21.958 1.00 35.61 O HETATM 1873 O HOH 20 35.485 3.477 23.458 1.00 18.40 O HETATM 1874 O HOH 21 17.591 -5.800 9.084 1.00 40.78 O HETATM 1875 O HOH 22 21.587 12.059 23.839 1.00 30.64 O HETATM 1876 O HOH 23 34.047 6.032 12.764 1.00 20.16 O HETATM 1877 O HOH 24 16.711 0.369 9.351 1.00 18.60 O HETATM 1878 O HOH 25 31.906 13.777 6.811 1.00 27.17 O HETATM 1879 O HOH 26 39.664 6.959 -1.212 1.00 30.42 O HETATM 1880 O HOH 27 29.948 4.203 29.820 1.00 22.64 O HETATM 1881 O HOH 28 20.158 6.045 21.335 1.00 23.80 O HETATM 1882 O HOH 29 31.748 -6.557 11.367 1.00 30.53 O HETATM 1883 O HOH 30 18.271 -0.771 26.789 1.00 31.79 O HETATM 1884 O HOH 31 33.912 -7.823 14.360 1.00 23.31 O HETATM 1885 O HOH 32 39.322 0.578 -3.253 1.00 27.73 O HETATM 1886 O HOH 33 18.520 -3.212 17.518 1.00 27.64 O HETATM 1887 O HOH 34 44.162 5.076 -3.291 1.00 36.83 O HETATM 1888 O HOH 35 30.580 13.979 17.258 1.00 18.61 O HETATM 1889 O HOH 36 17.060 7.907 10.039 1.00 26.18 O HETATM 1890 O HOH 37 19.230 -8.122 9.757 1.00 30.57 O HETATM 1891 O HOH 38 28.944 -3.158 -9.260 1.00 31.72 O HETATM 1892 O HOH 39 29.485 12.875 19.614 1.00 20.13 O HETATM 1893 O HOH 40 36.636 1.121 16.783 1.00 25.65 O HETATM 1894 O HOH 41 30.334 -9.830 7.050 1.00 33.88 O HETATM 1895 O HOH 42 24.942 -3.111 -3.389 1.00 44.53 O HETATM 1896 O HOH 43 24.913 0.515 31.561 1.00 22.31 O HETATM 1897 O HOH 44 21.206 8.623 22.331 1.00 31.25 O HETATM 1898 O HOH 45 32.283 4.210 33.158 1.00 27.05 O HETATM 1899 O HOH 46 30.214 -1.857 29.867 1.00 42.34 O HETATM 1900 O HOH 47 22.045 5.352 26.361 1.00 27.15 O HETATM 1901 O HOH 48 42.247 7.593 3.663 1.00 39.39 O HETATM 1902 O HOH 49 26.213 -10.650 -1.456 1.00 47.61 O HETATM 1903 O HOH 50 27.808 -6.477 29.557 1.00 20.69 O HETATM 1904 O HOH 51 22.200 8.105 19.258 1.00 29.96 O HETATM 1905 O HOH 52 40.396 1.052 28.622 1.00 30.25 O HETATM 1906 O HOH 53 34.609 13.079 1.965 1.00 45.92 O HETATM 1907 O HOH 54 25.612 -14.713 9.844 1.00 37.12 O HETATM 1908 O HOH 55 33.235 21.047 7.616 1.00 42.15 O HETATM 1909 O HOH 56 29.394 -14.405 17.692 1.00 30.10 O HETATM 1910 O HOH 57 33.851 15.231 17.229 1.00 28.14 O HETATM 1911 O HOH 58 36.281 -9.930 6.714 1.00 46.07 O HETATM 1912 O HOH 59 30.622 17.395 10.618 1.00 30.78 O HETATM 1913 O HOH 60 34.646 4.592 -5.860 1.00 28.74 O HETATM 1914 O HOH 61 16.895 -8.040 12.293 1.00 35.50 O HETATM 1915 O HOH 62 43.061 5.299 4.694 1.00 34.36 O HETATM 1916 O HOH 63 36.815 14.249 5.881 1.00 41.20 O HETATM 1917 O HOH 64 28.779 15.727 16.375 1.00 34.28 O HETATM 1918 O HOH 65 26.271 14.818 17.176 1.00 25.42 O HETATM 1919 O HOH 66 24.786 12.912 15.190 1.00 24.86 O HETATM 1920 O HOH 67 29.121 10.817 5.536 1.00 37.69 O HETATM 1921 O HOH 68 26.256 8.071 5.304 1.00 29.01 O HETATM 1922 O HOH 69 24.037 6.070 4.617 1.00 19.61 O HETATM 1923 O HOH 70 24.452 8.255 7.590 1.00 29.52 O HETATM 1924 O HOH 71 35.560 -4.206 -8.051 1.00 32.06 O HETATM 1925 O HOH 72 35.292 2.316 -7.966 1.00 43.30 O HETATM 1926 O HOH 73 28.197 1.131 -9.056 1.00 38.60 O HETATM 1927 O HOH 74 47.981 -1.491 6.808 1.00 34.92 O HETATM 1928 O HOH 75 46.861 -1.762 4.464 1.00 28.81 O HETATM 1929 O HOH 76 45.563 -2.270 11.334 1.00 43.50 O HETATM 1930 O HOH 77 23.628 1.769 29.446 1.00 26.55 O HETATM 1931 O HOH 78 30.408 -6.430 28.778 1.00 22.50 O HETATM 1932 O HOH 79 33.282 -7.675 21.347 1.00 14.04 O HETATM 1933 O HOH 80 40.072 -7.790 20.768 1.00 34.38 O HETATM 1934 O HOH 81 40.591 -6.486 23.044 1.00 29.26 O HETATM 1935 O HOH 82 39.598 -0.604 19.965 1.00 28.97 O HETATM 1936 O HOH 83 42.277 -1.900 29.100 1.00 33.65 O HETATM 1937 O HOH 84 36.288 2.083 21.333 1.00 16.89 O HETATM 1938 O HOH 85 30.065 5.623 32.190 1.00 27.30 O HETATM 1939 O HOH 86 28.763 -9.550 22.847 1.00 20.40 O HETATM 1940 O HOH 87 29.059 -11.968 21.817 1.00 23.15 O HETATM 1941 O HOH 88 34.950 -9.604 3.853 1.00 25.03 O HETATM 1942 O HOH 89 48.544 -1.465 0.410 1.00 39.06 O HETATM 1943 O HOH 90 32.288 -11.715 14.505 1.00 42.31 O HETATM 1944 O HOH 91 33.604 -9.450 19.232 1.00 24.17 O HETATM 1945 O HOH 92 17.247 -2.464 15.190 1.00 28.69 O HETATM 1946 O HOH 93 28.519 15.967 20.911 1.00 35.73 O HETATM 1947 O HOH 94 29.330 16.730 23.181 1.00 35.56 O HETATM 1948 O HOH 95 37.981 3.803 20.453 1.00 32.79 O HETATM 1949 O HOH 96 27.993 -9.222 -7.084 1.00 30.49 O HETATM 1950 O HOH 97 30.723 -10.384 -2.385 1.00 36.58 O HETATM 1951 O HOH 98 37.482 1.451 31.662 1.00 33.52 O HETATM 1952 O HOH 99 37.341 -2.588 16.633 1.00 28.52 O HETATM 1953 O HOH 100 43.169 0.638 12.519 1.00 37.17 O HETATM 1954 O HOH 101 42.737 -1.241 11.434 1.00 39.13 O HETATM 1955 O HOH 102 46.992 5.284 9.753 1.00 28.74 O HETATM 1956 O HOH 103 36.490 9.579 15.236 1.00 44.04 O HETATM 1957 O HOH 104 43.447 10.057 9.994 1.00 39.75 O HETATM 1958 C21 T A 3 42.227 -1.716 14.753 1.00 -0.03 C HETATM 1959 C22 T A 3 43.125 -2.880 15.205 1.00 -0.01 C HETATM 1960 C23 T A 3 42.662 -4.236 14.633 1.00 -0.04 C HETATM 1961 C24 T A 3 41.914 -4.107 13.293 1.00 -0.01 C HETATM 1962 C25 T A 3 40.751 -3.093 13.350 1.00 -0.03 C HETATM 1963 N26 T A 3 40.845 -2.194 14.531 1.00 0.24 N HETATM 1964 C5' T A 3 39.882 -1.051 14.542 1.00 -0.00 C HETATM 1965 C4' T A 3 39.470 -0.466 13.145 1.00 0.13 C HETATM 1966 O4' T A 3 38.720 -1.362 12.259 1.00 -0.34 O HETATM 1967 C1' T A 3 37.315 -0.937 12.213 1.00 0.18 C HETATM 1968 C2' T A 3 37.138 0.007 13.396 1.00 0.03 C HETATM 1969 C3' T A 3 38.511 0.685 13.421 1.00 0.09 C HETATM 1970 O3' T A 3 38.591 1.627 12.340 1.00 -0.39 O HETATM 1971 H16 T A 3 37.995 2.348 12.505 1.00 0.21 H HETATM 1972 H15 T A 3 38.715 1.174 14.385 1.00 0.06 H HETATM 1973 H17 T A 3 36.330 0.732 13.219 1.00 0.03 H HETATM 1974 H18 T A 3 36.940 -0.543 14.328 1.00 0.03 H HETATM 1975 N1 T A 3 36.473 -2.158 12.290 1.00 -0.17 N HETATM 1976 C6 T A 3 36.863 -3.219 13.131 1.00 0.05 C HETATM 1977 C5 T A 3 36.096 -4.381 13.212 1.00 0.02 C HETATM 1978 C5M T A 3 36.553 -5.517 14.138 1.00 -0.04 C HETATM 1979 H21 T A 3 37.486 -5.226 14.643 1.00 0.03 H HETATM 1980 H22 T A 3 36.726 -6.427 13.544 1.00 0.03 H HETATM 1981 H23 T A 3 35.775 -5.712 14.890 1.00 0.03 H HETATM 1982 C4 T A 3 34.930 -4.488 12.445 1.00 0.19 C HETATM 1983 O4 T A 3 34.225 -5.498 12.494 1.00 -0.41 O HETATM 1984 N3 T A 3 34.537 -3.437 11.602 1.00 -0.19 N HETATM 1985 C2 T A 3 35.300 -2.263 11.513 1.00 0.33 C HETATM 1986 O2 T A 3 34.928 -1.346 10.777 1.00 -0.38 O HETATM 1987 H24 T A 3 33.703 -3.526 11.058 1.00 0.23 H HETATM 1988 H20 T A 3 37.772 -3.131 13.724 1.00 0.10 H HETATM 1989 H19 T A 3 37.096 -0.403 11.277 1.00 0.10 H HETATM 1990 H14 T A 3 40.374 -0.116 12.626 1.00 0.07 H HETATM 1991 H12 T A 3 40.338 -0.236 15.124 1.00 0.08 H HETATM 1992 H13 T A 3 38.965 -1.392 15.045 1.00 0.08 H HETATM 1993 H11 T A 3 40.606 -2.764 15.327 1.00 0.20 H HETATM 1994 H9 T A 3 39.801 -3.646 13.401 1.00 0.08 H HETATM 1995 H10 T A 3 40.770 -2.481 12.437 1.00 0.08 H HETATM 1996 H7 T A 3 41.508 -5.092 13.021 1.00 0.03 H HETATM 1997 H8 T A 3 42.628 -3.780 12.523 1.00 0.03 H HETATM 1998 H5 T A 3 41.991 -4.713 15.363 1.00 0.03 H HETATM 1999 H6 T A 3 43.547 -4.871 14.479 1.00 0.03 H HETATM 2000 H3 T A 3 43.106 -2.935 16.303 1.00 0.03 H HETATM 2001 H4 T A 3 44.153 -2.686 14.865 1.00 0.03 H HETATM 2002 H1 T A 3 42.621 -1.296 13.816 1.00 0.08 H HETATM 2003 H2 T A 3 42.222 -0.938 15.530 1.00 0.08 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 367 366 1248 CONECT 604 603 1411 CONECT 872 871 1645 CONECT 972 971 1070 CONECT 1070 972 1069 CONECT 1248 367 1247 CONECT 1411 604 1410 CONECT 1645 872 1644 CONECT 1958 1959 1963 2002 2003 CONECT 1959 1958 1960 2000 2001 CONECT 1960 1959 1961 1998 1999 CONECT 1961 1960 1962 1996 1997 CONECT 1962 1961 1963 1994 1995 CONECT 1963 1958 1962 1964 1993 CONECT 1964 1963 1965 1991 1992 CONECT 1965 1964 1966 1969 1990 CONECT 1966 1965 1967 CONECT 1967 1966 1968 1975 1989 CONECT 1968 1967 1969 1973 1974 CONECT 1969 1965 1968 1970 1972 CONECT 1970 1969 1971 CONECT 1971 1970 CONECT 1972 1969 CONECT 1973 1968 CONECT 1974 1968 CONECT 1975 1967 1976 1985 CONECT 1976 1975 1977 1988 CONECT 1977 1976 1978 1982 CONECT 1978 1977 1979 1980 1981 CONECT 1979 1978 CONECT 1980 1978 CONECT 1981 1978 CONECT 1982 1977 1983 1984 CONECT 1983 1982 CONECT 1984 1982 1985 1987 CONECT 1985 1975 1984 1986 CONECT 1986 1985 CONECT 1987 1984 CONECT 1988 1976 CONECT 1989 1967 CONECT 1990 1965 CONECT 1991 1964 CONECT 1992 1964 CONECT 1993 1963 CONECT 1994 1962 CONECT 1995 1962 CONECT 1996 1961 CONECT 1997 1961 CONECT 1998 1960 CONECT 1999 1960 CONECT 2000 1959 CONECT 2001 1959 CONECT 2002 1958 CONECT 2003 1958 MASTER 0 0 0 0 0 0 0 0 2002 1 58 10 END
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104aa, >1J81_2|Chain... at 99%
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RCSB PDB
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RCSB PDB
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1o0m
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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
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1rpf
RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
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PDBbind
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PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
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PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
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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%
2w5i
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RCSB PDB
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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
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PDBbind
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3d7b
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3dxh
RCSB PDB
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124aa, >3DXH_1|Chains... at 99%
3lxo
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124aa, >3LXO_1|Chain... at 99%
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124aa, >4G8V_1|Chains... at 99%
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PDBbind
124aa, >4G8Y_1|Chains... at 99%
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124aa, >4RSK_1|Chain... at 96%
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125aa, >4WYZ_1|Chains... at 100%
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124aa, >6RSA_1|Chain... at 99%
6pvx
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124aa, >6PVX_1|Chains... at 99%
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124aa, >6PVW_1|Chains... at 99%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3d8y
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ribonuclease pancreatic
Ligand Name
T3S
EC.Number
E.C.3.1.27.5
Resolution
1.72(Å)
Affinity (Kd/Ki/IC50)
Ki=396uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) J.Med.Chem.
Ligand Properties
Formula
C
1
5
H
2
4
N
3
O
4
Molecular Weight
310.369
Exact Mass
310.177
No. of atoms
46
No. of bonds
48
Polar Surface Area
88.76
LOGP Value
0.06 (
Computed with XLOGP3
)
0.13 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
O[C@H]1C[C@@H](O[C@@H]1C[NH+]1CCCCC1)n1cc(C)c(=O)[nH]c1=O
InChI String
InChI=1S/C15H23N3O4/c1-10-8-18(15(21)16-14(10)20)13-7-11(19)12(22-13)9-17-5-3-2-4-6-17/h8,11-13,19H,2-7,9H2,1H3,(H,16,20,21)/p+1/t11-,12+,13+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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