Browse entries in the PDBbind-CN Database
HEADER 1O0H_COMPLEX COMPND 1O0H_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 ADP A 407 39 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 36.150 20.384 9.129 1.00 26.09 N ATOM 2 CA LYS A 1 35.132 20.611 10.195 1.00 25.17 C ATOM 3 C LYS A 1 34.102 19.477 10.300 1.00 23.41 C ATOM 4 O LYS A 1 33.021 19.667 10.848 1.00 23.95 O ATOM 5 CB LYS A 1 34.414 21.951 9.987 1.00 26.01 C ATOM 6 CG LYS A 1 35.076 23.147 10.697 1.00 27.84 C ATOM 7 CD LYS A 1 35.788 24.069 9.748 1.00 28.81 C ATOM 8 CE LYS A 1 36.826 23.327 8.978 1.00 29.99 C ATOM 9 NZ LYS A 1 36.279 22.620 7.739 1.00 30.72 N ATOM 10 HA LYS A 1 35.681 20.632 11.136 1.00 0.00 H ATOM 11 HB2 LYS A 1 34.388 22.161 8.918 1.00 0.00 H ATOM 12 HB3 LYS A 1 33.395 21.854 10.362 1.00 0.00 H ATOM 13 HG2 LYS A 1 34.304 23.713 11.219 1.00 0.00 H ATOM 14 HG3 LYS A 1 35.798 22.767 11.420 1.00 0.00 H ATOM 15 HD2 LYS A 1 35.065 24.498 9.054 1.00 0.00 H ATOM 16 HD3 LYS A 1 36.265 24.869 10.315 1.00 0.00 H ATOM 17 HE2 LYS A 1 37.273 22.579 9.633 1.00 0.00 H ATOM 18 HE3 LYS A 1 37.592 24.035 8.661 1.00 0.00 H ATOM 19 HZ1 LYS A 1 35.553 21.932 8.026 1.00 0.00 H ATOM 20 HZ2 LYS A 1 35.859 23.323 7.098 1.00 0.00 H ATOM 21 HZ3 LYS A 1 37.054 22.125 7.253 1.00 0.00 H ATOM 22 HN3 LYS A 1 35.674 20.305 8.208 1.00 0.00 H ATOM 23 HN2 LYS A 1 36.669 19.505 9.329 1.00 0.00 H ATOM 24 HN1 LYS A 1 36.814 21.184 9.110 1.00 0.00 H ATOM 25 N GLU A 2 34.392 18.336 9.680 1.00 21.42 N ATOM 26 CA GLU A 2 33.599 17.116 9.862 1.00 20.25 C ATOM 27 C GLU A 2 33.614 16.611 11.318 1.00 19.12 C ATOM 28 O GLU A 2 34.682 16.385 11.876 1.00 19.87 O ATOM 29 CB GLU A 2 34.140 16.023 8.934 1.00 20.48 C ATOM 30 CG GLU A 2 33.342 14.738 8.990 1.00 19.45 C ATOM 31 CD GLU A 2 33.899 13.632 8.115 1.00 19.10 C ATOM 32 OE1 GLU A 2 35.096 13.336 8.228 1.00 20.49 O ATOM 33 OE2 GLU A 2 33.132 13.036 7.355 1.00 19.80 O ATOM 34 HA GLU A 2 32.564 17.355 9.616 1.00 0.00 H ATOM 35 HB2 GLU A 2 34.121 16.398 7.911 1.00 0.00 H ATOM 36 HB3 GLU A 2 35.169 15.804 9.220 1.00 0.00 H ATOM 37 HG2 GLU A 2 33.329 14.386 10.022 1.00 0.00 H ATOM 38 HG3 GLU A 2 32.323 14.952 8.667 1.00 0.00 H ATOM 39 H GLU A 2 35.213 18.308 9.042 1.00 0.00 H ATOM 40 N THR A 3 32.435 16.473 11.922 1.00 17.93 N ATOM 41 CA THR A 3 32.321 15.962 13.288 1.00 17.28 C ATOM 42 C THR A 3 32.591 14.458 13.302 1.00 16.30 C ATOM 43 O THR A 3 32.503 13.788 12.282 1.00 15.92 O ATOM 44 CB THR A 3 30.913 16.214 13.877 1.00 17.04 C ATOM 45 OG1 THR A 3 29.939 15.455 13.159 1.00 18.32 O ATOM 46 CG2 THR A 3 30.491 17.699 13.751 1.00 18.16 C ATOM 47 HA THR A 3 33.055 16.490 13.897 1.00 0.00 H ATOM 48 HB THR A 3 30.961 15.926 14.927 1.00 0.00 H ATOM 49 HG1 THR A 3 29.042 15.623 13.543 1.00 0.00 H ATOM 50 HG23 THR A 3 31.206 18.325 14.285 1.00 0.00 H ATOM 51 HG21 THR A 3 30.473 17.982 12.699 1.00 0.00 H ATOM 52 HG22 THR A 3 29.498 17.831 14.181 1.00 0.00 H ATOM 53 H THR A 3 31.570 16.736 11.408 1.00 0.00 H ATOM 54 N ALA A 4 32.891 13.928 14.485 1.00 16.25 N ATOM 55 CA ALA A 4 33.091 12.495 14.674 1.00 15.70 C ATOM 56 C ALA A 4 31.827 11.747 14.284 1.00 14.33 C ATOM 57 O ALA A 4 31.889 10.686 13.673 1.00 13.78 O ATOM 58 CB ALA A 4 33.461 12.197 16.120 1.00 16.21 C ATOM 59 HA ALA A 4 33.911 12.163 14.037 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.383 12.721 16.373 1.00 0.00 H ATOM 61 HB2 ALA A 4 32.658 12.534 16.776 1.00 0.00 H ATOM 62 HB3 ALA A 4 33.606 11.124 16.243 1.00 0.00 H ATOM 63 H ALA A 4 32.987 14.559 15.306 1.00 0.00 H ATOM 64 N ALA A 5 30.672 12.307 14.630 1.00 13.94 N ATOM 65 CA ALA A 5 29.403 11.674 14.283 1.00 14.07 C ATOM 66 C ALA A 5 29.218 11.629 12.753 1.00 14.06 C ATOM 67 O ALA A 5 28.765 10.640 12.210 1.00 13.34 O ATOM 68 CB ALA A 5 28.244 12.398 14.915 1.00 15.55 C ATOM 69 HA ALA A 5 29.427 10.655 14.669 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.356 12.384 15.999 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.227 13.430 14.564 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.313 11.903 14.638 1.00 0.00 H ATOM 73 H ALA A 5 30.672 13.206 15.153 1.00 0.00 H ATOM 74 N ALA A 6 29.570 12.728 12.079 1.00 14.27 N ATOM 75 CA ALA A 6 29.458 12.818 10.625 1.00 14.36 C ATOM 76 C ALA A 6 30.422 11.827 9.957 1.00 14.02 C ATOM 77 O ALA A 6 30.089 11.176 8.970 1.00 14.66 O ATOM 78 CB ALA A 6 29.720 14.277 10.164 1.00 15.65 C ATOM 79 HA ALA A 6 28.447 12.548 10.320 1.00 0.00 H ATOM 80 HB1 ALA A 6 28.986 14.939 10.623 1.00 0.00 H ATOM 81 HB2 ALA A 6 30.723 14.578 10.467 1.00 0.00 H ATOM 82 HB3 ALA A 6 29.634 14.335 9.079 1.00 0.00 H ATOM 83 H ALA A 6 29.936 13.546 12.607 1.00 0.00 H ATOM 84 N LYS A 7 31.604 11.702 10.541 1.00 14.06 N ATOM 85 CA LYS A 7 32.588 10.763 10.042 1.00 14.23 C ATOM 86 C LYS A 7 32.087 9.328 10.166 1.00 13.15 C ATOM 87 O LYS A 7 32.309 8.525 9.278 1.00 12.91 O ATOM 88 CB LYS A 7 33.917 10.942 10.742 1.00 14.66 C ATOM 89 CG LYS A 7 34.977 9.967 10.281 1.00 15.61 C ATOM 90 CD LYS A 7 36.397 10.418 10.516 1.00 17.06 C ATOM 91 CE LYS A 7 36.677 10.747 11.957 1.00 17.40 C ATOM 92 NZ LYS A 7 36.627 9.567 12.864 1.00 16.74 N ATOM 93 HA LYS A 7 32.742 10.971 8.983 1.00 0.00 H ATOM 94 HB2 LYS A 7 34.273 11.955 10.553 1.00 0.00 H ATOM 95 HB3 LYS A 7 33.765 10.806 11.813 1.00 0.00 H ATOM 96 HG2 LYS A 7 34.827 9.027 10.812 1.00 0.00 H ATOM 97 HG3 LYS A 7 34.846 9.804 9.211 1.00 0.00 H ATOM 98 HD2 LYS A 7 37.071 9.621 10.204 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.584 11.307 9.914 1.00 0.00 H ATOM 100 HE2 LYS A 7 35.936 11.472 12.294 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.671 11.189 12.022 1.00 0.00 H ATOM 102 HZ1 LYS A 7 35.680 9.140 12.823 1.00 0.00 H ATOM 103 HZ2 LYS A 7 37.337 8.869 12.563 1.00 0.00 H ATOM 104 HZ3 LYS A 7 36.830 9.871 13.838 1.00 0.00 H ATOM 105 H LYS A 7 31.829 12.287 11.371 1.00 0.00 H ATOM 106 N PHE A 8 31.408 9.000 11.270 1.00 12.55 N ATOM 107 CA PHE A 8 30.863 7.666 11.427 1.00 11.75 C ATOM 108 C PHE A 8 29.850 7.384 10.304 1.00 11.29 C ATOM 109 O PHE A 8 29.826 6.309 9.765 1.00 11.74 O ATOM 110 CB PHE A 8 30.230 7.488 12.828 1.00 11.14 C ATOM 111 CG PHE A 8 29.520 6.180 13.001 1.00 11.19 C ATOM 112 CD1 PHE A 8 28.221 6.014 12.544 1.00 12.34 C ATOM 113 CD2 PHE A 8 30.182 5.086 13.555 1.00 11.88 C ATOM 114 CE1 PHE A 8 27.587 4.819 12.648 1.00 12.70 C ATOM 115 CE2 PHE A 8 29.545 3.881 13.662 1.00 11.85 C ATOM 116 CZ PHE A 8 28.239 3.748 13.230 1.00 11.82 C ATOM 117 HA PHE A 8 31.671 6.939 11.349 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.021 7.553 13.575 1.00 0.00 H ATOM 119 HB3 PHE A 8 29.514 8.294 12.988 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.209 5.191 13.904 1.00 0.00 H ATOM 121 HE2 PHE A 8 30.068 3.025 14.088 1.00 0.00 H ATOM 122 HZ PHE A 8 27.722 2.796 13.349 1.00 0.00 H ATOM 123 HE1 PHE A 8 26.569 4.704 12.275 1.00 0.00 H ATOM 124 HD1 PHE A 8 27.700 6.859 12.093 1.00 0.00 H ATOM 125 H PHE A 8 31.270 9.706 12.021 1.00 0.00 H ATOM 126 N GLU A 9 28.986 8.357 9.998 1.00 12.03 N ATOM 127 CA GLU A 9 28.012 8.189 8.898 1.00 12.60 C ATOM 128 C GLU A 9 28.718 7.967 7.560 1.00 12.72 C ATOM 129 O GLU A 9 28.349 7.078 6.805 1.00 13.78 O ATOM 130 CB GLU A 9 27.064 9.377 8.835 1.00 13.12 C ATOM 131 CG GLU A 9 26.160 9.449 10.058 1.00 15.04 C ATOM 132 CD GLU A 9 25.089 10.516 9.960 1.00 17.62 C ATOM 133 OE1 GLU A 9 24.467 10.640 8.876 1.00 21.41 O ATOM 134 OE2 GLU A 9 24.830 11.213 10.970 1.00 18.54 O ATOM 135 HA GLU A 9 27.420 7.297 9.103 1.00 0.00 H ATOM 136 HB2 GLU A 9 27.651 10.294 8.776 1.00 0.00 H ATOM 137 HB3 GLU A 9 26.444 9.286 7.943 1.00 0.00 H ATOM 138 HG2 GLU A 9 25.673 8.482 10.184 1.00 0.00 H ATOM 139 HG3 GLU A 9 26.778 9.660 10.931 1.00 0.00 H ATOM 140 H GLU A 9 28.999 9.244 10.541 1.00 0.00 H ATOM 141 N ARG A 10 29.768 8.731 7.317 1.00 13.65 N ATOM 142 CA ARG A 10 30.492 8.577 6.059 1.00 14.00 C ATOM 143 C ARG A 10 31.209 7.234 5.965 1.00 13.66 C ATOM 144 O ARG A 10 31.244 6.595 4.911 1.00 14.15 O ATOM 145 CB ARG A 10 31.494 9.693 5.884 1.00 14.89 C ATOM 146 CG ARG A 10 32.420 9.536 4.681 1.00 15.64 C ATOM 147 CD ARG A 10 33.305 10.751 4.444 1.00 16.63 C ATOM 148 NE ARG A 10 34.150 11.053 5.585 1.00 17.00 N ATOM 149 CZ ARG A 10 35.307 10.467 5.843 1.00 18.14 C ATOM 150 NH1 ARG A 10 35.786 9.506 5.058 1.00 18.25 N ATOM 151 NH2 ARG A 10 36.001 10.835 6.897 1.00 19.18 N ATOM 152 HA ARG A 10 29.750 8.619 5.262 1.00 0.00 H ATOM 153 HB2 ARG A 10 30.945 10.628 5.771 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.109 9.741 6.782 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.059 8.668 4.846 1.00 0.00 H ATOM 156 HG3 ARG A 10 31.810 9.373 3.793 1.00 0.00 H ATOM 157 HD2 ARG A 10 32.669 11.613 4.241 1.00 0.00 H ATOM 158 HD3 ARG A 10 33.940 10.558 3.579 1.00 0.00 H ATOM 159 HE ARG A 10 33.821 11.784 6.248 1.00 0.00 H ATOM 160 HH12 ARG A 10 36.698 9.059 5.281 1.00 0.00 H ATOM 161 HH11 ARG A 10 35.248 9.201 4.222 1.00 0.00 H ATOM 162 HH22 ARG A 10 36.912 10.378 7.105 1.00 0.00 H ATOM 163 HH21 ARG A 10 35.639 11.583 7.522 1.00 0.00 H ATOM 164 H ARG A 10 30.076 9.436 8.016 1.00 0.00 H ATOM 165 N GLN A 11 31.789 6.799 7.083 1.00 12.89 N ATOM 166 CA GLN A 11 32.589 5.589 7.085 1.00 12.79 C ATOM 167 C GLN A 11 31.781 4.331 7.258 1.00 12.90 C ATOM 168 O GLN A 11 32.250 3.263 6.849 1.00 14.04 O ATOM 169 CB GLN A 11 33.669 5.669 8.175 1.00 12.94 C ATOM 170 CG GLN A 11 34.658 6.798 7.915 1.00 14.99 C ATOM 171 CD GLN A 11 35.858 6.853 8.848 1.00 16.01 C ATOM 172 OE1 GLN A 11 36.937 7.326 8.456 1.00 17.97 O ATOM 173 NE2 GLN A 11 35.688 6.391 10.076 1.00 15.07 N ATOM 174 HA GLN A 11 33.051 5.529 6.099 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.186 5.838 9.138 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.212 4.724 8.203 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.030 6.689 6.896 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.120 7.742 8.005 1.00 0.00 H ATOM 179 HE22 GLN A 11 34.767 6.003 10.363 1.00 0.00 H ATOM 180 HE21 GLN A 11 36.476 6.416 10.755 1.00 0.00 H ATOM 181 H GLN A 11 31.666 7.334 7.966 1.00 0.00 H ATOM 182 N HIS A 12 30.589 4.409 7.849 1.00 12.29 N ATOM 183 CA HIS A 12 29.902 3.185 8.224 1.00 12.23 C ATOM 184 C HIS A 12 28.431 3.091 7.878 1.00 13.34 C ATOM 185 O HIS A 12 27.890 2.033 8.048 1.00 14.64 O ATOM 186 CB HIS A 12 30.049 2.930 9.734 1.00 11.67 C ATOM 187 CG HIS A 12 31.463 2.806 10.184 1.00 11.13 C ATOM 188 ND1 HIS A 12 32.279 1.770 9.790 1.00 10.42 N ATOM 189 CD2 HIS A 12 32.198 3.581 11.000 1.00 11.56 C ATOM 190 CE1 HIS A 12 33.471 1.922 10.343 1.00 11.18 C ATOM 191 NE2 HIS A 12 33.444 3.014 11.081 1.00 11.69 N ATOM 192 HA HIS A 12 30.398 2.429 7.615 1.00 0.00 H ATOM 193 HB2 HIS A 12 29.588 3.760 10.270 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.527 2.005 9.980 1.00 0.00 H ATOM 195 HD2 HIS A 12 31.866 4.489 11.503 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.327 1.260 10.211 1.00 0.00 H ATOM 197 H HIS A 12 30.156 5.335 8.039 1.00 0.00 H ATOM 198 N MET A 13 27.789 4.161 7.396 1.00 12.93 N ATOM 199 CA MET A 13 26.368 4.091 7.073 1.00 13.75 C ATOM 200 C MET A 13 26.156 3.985 5.590 1.00 14.52 C ATOM 201 O MET A 13 26.716 4.777 4.817 1.00 14.91 O ATOM 202 CB MET A 13 25.633 5.321 7.544 1.00 14.22 C ATOM 203 CG MET A 13 25.502 5.374 9.040 1.00 14.25 C ATOM 204 SD MET A 13 24.597 3.987 9.850 1.00 15.03 S ATOM 205 CE MET A 13 23.028 4.176 9.072 1.00 16.60 C ATOM 206 HA MET A 13 25.982 3.206 7.579 1.00 0.00 H ATOM 207 HB2 MET A 13 26.177 6.204 7.209 1.00 0.00 H ATOM 208 HB3 MET A 13 24.635 5.322 7.105 1.00 0.00 H ATOM 209 HG2 MET A 13 24.982 6.298 9.292 1.00 0.00 H ATOM 210 HG3 MET A 13 26.508 5.399 9.458 1.00 0.00 H ATOM 211 HE1 MET A 13 22.629 5.165 9.298 1.00 0.00 H ATOM 212 HE2 MET A 13 23.143 4.067 7.994 1.00 0.00 H ATOM 213 HE3 MET A 13 22.345 3.413 9.445 1.00 0.00 H ATOM 214 H MET A 13 28.307 5.051 7.250 1.00 0.00 H ATOM 215 N ASP A 14 25.340 3.020 5.196 1.00 14.38 N ATOM 216 CA ASP A 14 24.891 2.938 3.800 1.00 14.87 C ATOM 217 C ASP A 14 23.460 2.432 3.797 1.00 14.43 C ATOM 218 O ASP A 14 23.185 1.300 3.488 1.00 14.99 O ATOM 219 CB ASP A 14 25.769 2.025 2.945 1.00 16.47 C ATOM 220 CG ASP A 14 25.270 1.925 1.499 1.00 18.99 C ATOM 221 OD1 ASP A 14 24.537 2.841 1.059 1.00 20.58 O ATOM 222 OD2 ASP A 14 25.585 0.983 0.751 1.00 19.40 O ATOM 223 HA ASP A 14 24.962 3.932 3.358 1.00 0.00 H ATOM 224 HB2 ASP A 14 26.785 2.420 2.939 1.00 0.00 H ATOM 225 HB3 ASP A 14 25.771 1.028 3.385 1.00 0.00 H ATOM 226 H ASP A 14 25.013 2.311 5.883 1.00 0.00 H ATOM 227 N SER A 15 22.547 3.305 4.184 1.00 14.04 N ATOM 228 CA SER A 15 21.137 2.946 4.270 1.00 16.10 C ATOM 229 C SER A 15 20.495 2.706 2.881 1.00 18.61 C ATOM 230 O SER A 15 19.414 2.078 2.777 1.00 21.68 O ATOM 231 CB SER A 15 20.366 4.069 4.965 1.00 15.31 C ATOM 232 OG SER A 15 20.926 4.395 6.215 1.00 14.67 O ATOM 233 HA SER A 15 21.082 2.015 4.835 1.00 0.00 H ATOM 234 HB2 SER A 15 19.335 3.749 5.113 1.00 0.00 H ATOM 235 HB3 SER A 15 20.383 4.954 4.329 1.00 0.00 H ATOM 236 HG SER A 15 20.909 3.597 6.801 1.00 0.00 H ATOM 237 H SER A 15 22.841 4.271 4.433 1.00 0.00 H ATOM 238 N SER A 16 21.140 3.238 1.832 1.00 21.44 N ATOM 239 CA SER A 16 20.716 3.131 0.415 1.00 24.77 C ATOM 240 C SER A 16 21.272 1.915 -0.201 1.00 28.33 C ATOM 241 O SER A 16 22.307 2.003 -0.848 1.00 29.40 O ATOM 242 CB SER A 16 21.389 4.135 -0.508 1.00 24.83 C ATOM 243 OG SER A 16 21.262 5.449 -0.130 1.00 24.11 O ATOM 244 HA SER A 16 19.632 3.223 0.483 1.00 0.00 H ATOM 245 HB2 SER A 16 20.954 4.025 -1.501 1.00 0.00 H ATOM 246 HB3 SER A 16 22.452 3.896 -0.550 1.00 0.00 H ATOM 247 HG SER A 16 21.664 5.574 0.766 1.00 0.00 H ATOM 248 H SER A 16 22.011 3.771 2.029 1.00 0.00 H ATOM 249 N THR A 17 20.943 0.780 0.285 1.00 31.45 N ATOM 250 CA THR A 17 20.827 -0.346 -0.517 1.00 34.13 C ATOM 251 C THR A 17 20.320 -1.223 0.560 1.00 35.79 C ATOM 252 O THR A 17 20.797 -1.194 1.708 1.00 36.28 O ATOM 253 CB THR A 17 22.170 -0.801 -1.075 1.00 34.72 C ATOM 254 OG1 THR A 17 22.101 -2.202 -1.371 1.00 35.68 O ATOM 255 CG2 THR A 17 23.294 -0.664 -0.028 1.00 35.17 C ATOM 256 HA THR A 17 20.227 -0.269 -1.424 1.00 0.00 H ATOM 257 HB THR A 17 22.379 -0.186 -1.950 1.00 0.00 H ATOM 258 HG1 THR A 17 22.971 -2.505 -1.734 1.00 0.00 H ATOM 259 HG23 THR A 17 23.406 0.384 0.248 1.00 0.00 H ATOM 260 HG21 THR A 17 23.039 -1.249 0.856 1.00 0.00 H ATOM 261 HG22 THR A 17 24.229 -1.031 -0.451 1.00 0.00 H ATOM 262 H THR A 17 20.758 0.698 1.305 1.00 0.00 H ATOM 263 N SER A 18 19.304 -1.971 0.208 1.00 37.43 N ATOM 264 CA SER A 18 18.793 -2.952 1.108 1.00 38.22 C ATOM 265 C SER A 18 19.736 -4.177 1.072 1.00 38.21 C ATOM 266 O SER A 18 19.251 -5.307 1.062 1.00 39.12 O ATOM 267 CB SER A 18 17.369 -3.316 0.702 1.00 38.56 C ATOM 268 OG SER A 18 16.514 -2.192 0.799 1.00 39.75 O ATOM 269 HA SER A 18 18.755 -2.572 2.129 1.00 0.00 H ATOM 270 HB2 SER A 18 17.000 -4.103 1.359 1.00 0.00 H ATOM 271 HB3 SER A 18 17.372 -3.675 -0.327 1.00 0.00 H ATOM 272 HG SER A 18 16.506 -1.865 1.733 1.00 0.00 H ATOM 273 H SER A 18 18.869 -1.849 -0.729 1.00 0.00 H ATOM 274 N ALA A 19 21.048 -3.944 0.877 1.00 37.77 N ATOM 275 CA ALA A 19 22.127 -4.912 1.156 1.00 36.91 C ATOM 276 C ALA A 19 22.692 -5.634 -0.056 1.00 35.95 C ATOM 277 O ALA A 19 23.615 -6.439 0.081 1.00 36.55 O ATOM 278 CB ALA A 19 21.675 -5.935 2.213 1.00 37.31 C ATOM 279 HA ALA A 19 22.948 -4.303 1.533 1.00 0.00 H ATOM 280 HB1 ALA A 19 21.420 -5.414 3.136 1.00 0.00 H ATOM 281 HB2 ALA A 19 20.802 -6.474 1.845 1.00 0.00 H ATOM 282 HB3 ALA A 19 22.484 -6.639 2.404 1.00 0.00 H ATOM 283 H ALA A 19 21.321 -3.013 0.502 1.00 0.00 H ATOM 284 N ALA A 20 22.250 -5.266 -1.248 1.00 34.01 N ATOM 285 CA ALA A 20 22.377 -6.213 -2.347 1.00 32.82 C ATOM 286 C ALA A 20 23.813 -6.264 -2.945 1.00 31.48 C ATOM 287 O ALA A 20 24.018 -6.829 -4.028 1.00 32.71 O ATOM 288 CB ALA A 20 21.217 -6.014 -3.407 1.00 32.81 C ATOM 289 HA ALA A 20 22.238 -7.216 -1.944 1.00 0.00 H ATOM 290 HB1 ALA A 20 20.253 -6.168 -2.922 1.00 0.00 H ATOM 291 HB2 ALA A 20 21.264 -5.002 -3.810 1.00 0.00 H ATOM 292 HB3 ALA A 20 21.338 -6.735 -4.216 1.00 0.00 H ATOM 293 H ALA A 20 21.825 -4.328 -1.395 1.00 0.00 H ATOM 294 N SER A 21 24.770 -5.788 -2.110 1.00 29.46 N ATOM 295 CA SER A 21 26.225 -5.524 -2.354 1.00 27.64 C ATOM 296 C SER A 21 26.919 -6.496 -3.267 1.00 26.30 C ATOM 297 O SER A 21 27.106 -7.663 -2.920 1.00 26.20 O ATOM 298 CB SER A 21 27.020 -5.476 -1.023 1.00 27.47 C ATOM 299 OG SER A 21 26.450 -4.544 -0.100 1.00 27.47 O ATOM 300 HA SER A 21 26.221 -4.558 -2.859 1.00 0.00 H ATOM 301 HB2 SER A 21 28.047 -5.180 -1.235 1.00 0.00 H ATOM 302 HB3 SER A 21 27.015 -6.468 -0.572 1.00 0.00 H ATOM 303 HG SER A 21 26.457 -3.639 -0.501 1.00 0.00 H ATOM 304 H SER A 21 24.442 -5.572 -1.147 1.00 0.00 H ATOM 305 N SER A 22 27.306 -6.008 -4.437 1.00 25.29 N ATOM 306 CA SER A 22 27.940 -6.867 -5.424 1.00 23.95 C ATOM 307 C SER A 22 29.335 -7.183 -4.982 1.00 23.32 C ATOM 308 O SER A 22 29.826 -6.598 -4.044 1.00 23.42 O ATOM 309 CB SER A 22 27.978 -6.199 -6.789 1.00 24.22 C ATOM 310 OG SER A 22 28.942 -5.161 -6.831 1.00 24.00 O ATOM 311 HA SER A 22 27.357 -7.784 -5.509 1.00 0.00 H ATOM 312 HB2 SER A 22 26.996 -5.780 -7.006 1.00 0.00 H ATOM 313 HB3 SER A 22 28.228 -6.946 -7.543 1.00 0.00 H ATOM 314 HG SER A 22 28.941 -4.748 -7.731 1.00 0.00 H ATOM 315 H SER A 22 27.155 -5.002 -4.651 1.00 0.00 H ATOM 316 N SER A 23 29.988 -8.112 -5.663 1.00 21.87 N ATOM 317 CA SER A 23 31.343 -8.464 -5.269 1.00 20.77 C ATOM 318 C SER A 23 32.285 -7.274 -5.365 1.00 19.72 C ATOM 319 O SER A 23 33.350 -7.299 -4.758 1.00 19.98 O ATOM 320 CB SER A 23 31.880 -9.641 -6.076 1.00 20.32 C ATOM 321 OG SER A 23 31.692 -9.429 -7.466 1.00 20.12 O ATOM 322 HA SER A 23 31.295 -8.770 -4.224 1.00 0.00 H ATOM 323 HB2 SER A 23 31.354 -10.548 -5.779 1.00 0.00 H ATOM 324 HB3 SER A 23 32.945 -9.757 -5.873 1.00 0.00 H ATOM 325 HG SER A 23 32.048 -10.205 -7.968 1.00 0.00 H ATOM 326 H SER A 23 29.536 -8.585 -6.472 1.00 0.00 H ATOM 327 N ASN A 24 31.897 -6.230 -6.086 1.00 19.29 N ATOM 328 CA ASN A 24 32.715 -5.038 -6.198 1.00 19.52 C ATOM 329 C ASN A 24 32.267 -3.877 -5.290 1.00 18.30 C ATOM 330 O ASN A 24 32.865 -2.815 -5.324 1.00 17.72 O ATOM 331 CB ASN A 24 32.815 -4.605 -7.655 1.00 21.09 C ATOM 332 CG ASN A 24 33.833 -5.419 -8.419 1.00 24.96 C ATOM 333 OD1 ASN A 24 34.725 -6.036 -7.831 1.00 28.11 O ATOM 334 ND2 ASN A 24 33.699 -5.442 -9.728 1.00 27.92 N ATOM 335 HA ASN A 24 33.706 -5.309 -5.834 1.00 0.00 H ATOM 336 HB2 ASN A 24 31.840 -4.728 -8.127 1.00 0.00 H ATOM 337 HB3 ASN A 24 33.105 -3.555 -7.691 1.00 0.00 H ATOM 338 HD22 ASN A 24 32.932 -4.906 -10.182 1.00 0.00 H ATOM 339 HD21 ASN A 24 34.360 -5.996 -10.309 1.00 0.00 H ATOM 340 H ASN A 24 30.984 -6.268 -6.583 1.00 0.00 H ATOM 341 N TYR A 25 31.268 -4.113 -4.442 1.00 18.05 N ATOM 342 CA TYR A 25 30.725 -3.069 -3.562 1.00 17.95 C ATOM 343 C TYR A 25 31.805 -2.395 -2.729 1.00 16.77 C ATOM 344 O TYR A 25 31.903 -1.186 -2.692 1.00 18.00 O ATOM 345 CB TYR A 25 29.647 -3.662 -2.650 1.00 17.89 C ATOM 346 CG TYR A 25 29.108 -2.735 -1.573 1.00 17.62 C ATOM 347 CD1 TYR A 25 28.074 -1.831 -1.843 1.00 18.55 C ATOM 348 CD2 TYR A 25 29.629 -2.781 -0.287 1.00 17.33 C ATOM 349 CE1 TYR A 25 27.570 -1.010 -0.837 1.00 17.79 C ATOM 350 CE2 TYR A 25 29.143 -1.973 0.701 1.00 17.72 C ATOM 351 CZ TYR A 25 28.133 -1.093 0.422 1.00 16.78 C ATOM 352 OH TYR A 25 27.687 -0.333 1.472 1.00 17.06 O ATOM 353 HA TYR A 25 30.285 -2.302 -4.199 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.070 -4.537 -2.157 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.810 -3.969 -3.277 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.440 -3.474 -0.062 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.558 -2.029 1.707 1.00 0.00 H ATOM 358 HE1 TYR A 25 26.751 -0.319 -1.038 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.660 -1.769 -2.849 1.00 0.00 H ATOM 360 HH TYR A 25 26.961 0.264 1.161 1.00 0.00 H ATOM 361 H TYR A 25 30.858 -5.068 -4.401 1.00 0.00 H ATOM 362 N CYS A 26 32.637 -3.181 -2.061 1.00 16.61 N ATOM 363 CA CYS A 26 33.644 -2.603 -1.192 1.00 16.41 C ATOM 364 C CYS A 26 34.684 -1.826 -1.977 1.00 16.75 C ATOM 365 O CYS A 26 35.124 -0.767 -1.549 1.00 16.68 O ATOM 366 CB CYS A 26 34.306 -3.683 -0.355 1.00 15.83 C ATOM 367 SG CYS A 26 33.252 -4.317 0.957 1.00 15.43 S ATOM 368 HA CYS A 26 33.142 -1.900 -0.527 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.207 -3.267 0.096 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.578 -4.510 -1.010 1.00 0.00 H ATOM 371 H CYS A 26 32.568 -4.214 -2.160 1.00 0.00 H ATOM 372 N ASN A 27 35.095 -2.348 -3.133 1.00 17.38 N ATOM 373 CA ASN A 27 36.055 -1.620 -3.958 1.00 18.58 C ATOM 374 C ASN A 27 35.513 -0.237 -4.288 1.00 19.39 C ATOM 375 O ASN A 27 36.219 0.748 -4.156 1.00 20.06 O ATOM 376 CB ASN A 27 36.388 -2.386 -5.240 1.00 18.56 C ATOM 377 CG ASN A 27 37.124 -3.664 -4.960 1.00 19.01 C ATOM 378 OD1 ASN A 27 37.902 -3.731 -4.031 1.00 19.56 O ATOM 379 ND2 ASN A 27 36.880 -4.695 -5.772 1.00 22.54 N ATOM 380 HA ASN A 27 36.979 -1.515 -3.389 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.460 -2.622 -5.760 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.009 -1.755 -5.876 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.205 -4.591 -6.556 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.365 -5.602 -5.621 1.00 0.00 H ATOM 385 H ASN A 27 34.733 -3.271 -3.446 1.00 0.00 H ATOM 386 N GLN A 28 34.239 -0.168 -4.643 1.00 20.07 N ATOM 387 CA GLN A 28 33.602 1.096 -4.994 1.00 20.92 C ATOM 388 C GLN A 28 33.343 1.978 -3.762 1.00 20.29 C ATOM 389 O GLN A 28 33.694 3.153 -3.748 1.00 20.64 O ATOM 390 CB GLN A 28 32.278 0.831 -5.704 1.00 21.87 C ATOM 391 CG GLN A 28 32.397 0.078 -7.020 1.00 25.62 C ATOM 392 CD GLN A 28 31.047 -0.252 -7.626 1.00 30.19 C ATOM 393 OE1 GLN A 28 30.226 0.635 -7.846 1.00 33.41 O ATOM 394 NE2 GLN A 28 30.817 -1.527 -7.906 1.00 32.72 N ATOM 395 HA GLN A 28 34.287 1.629 -5.653 1.00 0.00 H ATOM 396 HB2 GLN A 28 31.646 0.247 -5.035 1.00 0.00 H ATOM 397 HB3 GLN A 28 31.803 1.791 -5.905 1.00 0.00 H ATOM 398 HG2 GLN A 28 32.956 0.693 -7.725 1.00 0.00 H ATOM 399 HG3 GLN A 28 32.937 -0.852 -6.843 1.00 0.00 H ATOM 400 HE22 GLN A 28 31.543 -2.243 -7.702 1.00 0.00 H ATOM 401 HE21 GLN A 28 29.911 -1.811 -8.330 1.00 0.00 H ATOM 402 H GLN A 28 33.676 -1.042 -4.672 1.00 0.00 H ATOM 403 N MET A 29 32.746 1.404 -2.717 1.00 19.67 N ATOM 404 CA MET A 29 32.390 2.175 -1.523 1.00 19.64 C ATOM 405 C MET A 29 33.583 2.688 -0.733 1.00 18.93 C ATOM 406 O MET A 29 33.561 3.816 -0.239 1.00 19.03 O ATOM 407 CB MET A 29 31.515 1.336 -0.604 1.00 20.28 C ATOM 408 CG MET A 29 30.128 1.163 -1.126 1.00 22.53 C ATOM 409 SD MET A 29 29.197 2.718 -1.003 1.00 26.85 S ATOM 410 CE MET A 29 28.767 2.757 0.690 1.00 25.95 C ATOM 411 HA MET A 29 31.854 3.051 -1.889 1.00 0.00 H ATOM 412 HB2 MET A 29 31.970 0.352 -0.492 1.00 0.00 H ATOM 413 HB3 MET A 29 31.463 1.824 0.369 1.00 0.00 H ATOM 414 HG2 MET A 29 29.620 0.394 -0.544 1.00 0.00 H ATOM 415 HG3 MET A 29 30.174 0.855 -2.171 1.00 0.00 H ATOM 416 HE1 MET A 29 28.166 1.880 0.931 1.00 0.00 H ATOM 417 HE2 MET A 29 29.674 2.755 1.294 1.00 0.00 H ATOM 418 HE3 MET A 29 28.193 3.660 0.897 1.00 0.00 H ATOM 419 H MET A 29 32.528 0.388 -2.750 1.00 0.00 H ATOM 420 N MET A 30 34.623 1.868 -0.576 1.00 18.62 N ATOM 421 CA MET A 30 35.784 2.285 0.182 1.00 18.48 C ATOM 422 C MET A 30 36.442 3.505 -0.454 1.00 19.80 C ATOM 423 O MET A 30 36.991 4.355 0.233 1.00 20.44 O ATOM 424 CB MET A 30 36.786 1.139 0.328 1.00 17.62 C ATOM 425 CG MET A 30 36.316 0.000 1.241 1.00 16.41 C ATOM 426 SD MET A 30 36.062 0.480 2.960 1.00 15.53 S ATOM 427 CE MET A 30 37.790 0.633 3.500 1.00 15.93 C ATOM 428 HA MET A 30 35.448 2.565 1.180 1.00 0.00 H ATOM 429 HB2 MET A 30 36.978 0.726 -0.662 1.00 0.00 H ATOM 430 HB3 MET A 30 37.711 1.545 0.737 1.00 0.00 H ATOM 431 HG2 MET A 30 37.066 -0.790 1.215 1.00 0.00 H ATOM 432 HG3 MET A 30 35.373 -0.383 0.851 1.00 0.00 H ATOM 433 HE1 MET A 30 38.294 -0.325 3.376 1.00 0.00 H ATOM 434 HE2 MET A 30 38.292 1.390 2.897 1.00 0.00 H ATOM 435 HE3 MET A 30 37.817 0.926 4.549 1.00 0.00 H ATOM 436 H MET A 30 34.600 0.920 -1.002 1.00 0.00 H ATOM 437 N LYS A 31 36.420 3.582 -1.779 1.00 21.16 N ATOM 438 CA LYS A 31 37.003 4.739 -2.434 1.00 22.09 C ATOM 439 C LYS A 31 36.030 5.930 -2.430 1.00 21.43 C ATOM 440 O LYS A 31 36.435 7.050 -2.110 1.00 21.77 O ATOM 441 CB LYS A 31 37.482 4.385 -3.832 1.00 23.09 C ATOM 442 CG LYS A 31 36.429 3.918 -4.768 1.00 26.01 C ATOM 443 CD LYS A 31 37.002 3.830 -6.185 1.00 29.21 C ATOM 444 CE LYS A 31 36.031 3.224 -7.184 1.00 31.00 C ATOM 445 NZ LYS A 31 35.832 1.770 -6.976 1.00 32.54 N ATOM 446 HA LYS A 31 37.879 5.050 -1.866 1.00 0.00 H ATOM 447 HB2 LYS A 31 37.946 5.272 -4.263 1.00 0.00 H ATOM 448 HB3 LYS A 31 38.227 3.594 -3.742 1.00 0.00 H ATOM 449 HG2 LYS A 31 36.077 2.934 -4.457 1.00 0.00 H ATOM 450 HG3 LYS A 31 35.596 4.621 -4.757 1.00 0.00 H ATOM 451 HD2 LYS A 31 37.261 4.835 -6.518 1.00 0.00 H ATOM 452 HD3 LYS A 31 37.901 3.215 -6.158 1.00 0.00 H ATOM 453 HE2 LYS A 31 36.420 3.383 -8.190 1.00 0.00 H ATOM 454 HE3 LYS A 31 35.069 3.726 -7.084 1.00 0.00 H ATOM 455 HZ1 LYS A 31 36.743 1.279 -7.077 1.00 0.00 H ATOM 456 HZ2 LYS A 31 35.453 1.606 -6.022 1.00 0.00 H ATOM 457 HZ3 LYS A 31 35.161 1.408 -7.684 1.00 0.00 H ATOM 458 H LYS A 31 35.989 2.821 -2.342 1.00 0.00 H ATOM 459 N SER A 32 34.760 5.680 -2.734 1.00 21.16 N ATOM 460 CA SER A 32 33.765 6.752 -2.781 1.00 21.52 C ATOM 461 C SER A 32 33.600 7.448 -1.433 1.00 20.91 C ATOM 462 O SER A 32 33.320 8.638 -1.401 1.00 21.80 O ATOM 463 CB SER A 32 32.412 6.232 -3.247 1.00 22.26 C ATOM 464 OG SER A 32 31.897 5.255 -2.379 1.00 26.19 O ATOM 465 HA SER A 32 34.139 7.481 -3.500 1.00 0.00 H ATOM 466 HB2 SER A 32 32.525 5.797 -4.240 1.00 0.00 H ATOM 467 HB3 SER A 32 31.711 7.066 -3.294 1.00 0.00 H ATOM 468 HG SER A 32 32.524 4.490 -2.335 1.00 0.00 H ATOM 469 H SER A 32 34.468 4.704 -2.942 1.00 0.00 H ATOM 470 N ARG A 33 33.751 6.709 -0.325 1.00 19.61 N ATOM 471 CA ARG A 33 33.628 7.289 1.026 1.00 19.00 C ATOM 472 C ARG A 33 34.973 7.815 1.562 1.00 19.94 C ATOM 473 O ARG A 33 35.105 8.156 2.738 1.00 20.27 O ATOM 474 CB ARG A 33 33.007 6.274 1.999 1.00 18.18 C ATOM 475 CG ARG A 33 31.615 5.864 1.618 1.00 17.35 C ATOM 476 CD ARG A 33 30.633 7.013 1.580 1.00 16.01 C ATOM 477 NE ARG A 33 29.269 6.568 1.384 1.00 17.17 N ATOM 478 CZ ARG A 33 28.484 6.122 2.359 1.00 16.44 C ATOM 479 NH1 ARG A 33 28.925 6.033 3.619 1.00 16.57 N ATOM 480 NH2 ARG A 33 27.249 5.735 2.093 1.00 17.23 N ATOM 481 HA ARG A 33 32.962 8.148 0.947 1.00 0.00 H ATOM 482 HB2 ARG A 33 33.637 5.385 2.020 1.00 0.00 H ATOM 483 HB3 ARG A 33 32.977 6.720 2.993 1.00 0.00 H ATOM 484 HG2 ARG A 33 31.649 5.407 0.629 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.261 5.132 2.343 1.00 0.00 H ATOM 486 HD2 ARG A 33 30.905 7.679 0.761 1.00 0.00 H ATOM 487 HD3 ARG A 33 30.692 7.556 2.523 1.00 0.00 H ATOM 488 HE ARG A 33 28.880 6.599 0.420 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.294 5.681 4.367 1.00 0.00 H ATOM 490 HH11 ARG A 33 29.899 6.316 3.850 1.00 0.00 H ATOM 491 HH22 ARG A 33 26.637 5.386 2.858 1.00 0.00 H ATOM 492 HH21 ARG A 33 26.889 5.779 1.118 1.00 0.00 H ATOM 493 H ARG A 33 33.961 5.695 -0.421 1.00 0.00 H ATOM 494 N ASN A 34 35.978 7.875 0.686 1.00 21.52 N ATOM 495 CA ASN A 34 37.298 8.409 1.029 1.00 23.21 C ATOM 496 C ASN A 34 38.090 7.631 2.081 1.00 23.63 C ATOM 497 O ASN A 34 38.835 8.210 2.872 1.00 24.44 O ATOM 498 CB ASN A 34 37.181 9.884 1.448 1.00 24.08 C ATOM 499 CG ASN A 34 36.594 10.753 0.357 1.00 27.19 C ATOM 500 OD1 ASN A 34 37.085 10.763 -0.772 1.00 29.95 O ATOM 501 ND2 ASN A 34 35.536 11.484 0.685 1.00 29.08 N ATOM 502 HA ASN A 34 37.878 8.301 0.112 1.00 0.00 H ATOM 503 HB2 ASN A 34 36.541 9.948 2.328 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.175 10.257 1.695 1.00 0.00 H ATOM 505 HD22 ASN A 34 35.155 11.443 1.652 1.00 0.00 H ATOM 506 HD21 ASN A 34 35.087 12.097 -0.025 1.00 0.00 H ATOM 507 H ASN A 34 35.817 7.528 -0.281 1.00 0.00 H ATOM 508 N LEU A 35 37.954 6.313 2.077 1.00 23.60 N ATOM 509 CA LEU A 35 38.680 5.476 3.024 1.00 24.23 C ATOM 510 C LEU A 35 39.971 4.924 2.411 1.00 25.42 C ATOM 511 O LEU A 35 40.644 4.095 3.020 1.00 26.01 O ATOM 512 CB LEU A 35 37.797 4.320 3.490 1.00 23.68 C ATOM 513 CG LEU A 35 36.544 4.824 4.208 1.00 24.09 C ATOM 514 CD1 LEU A 35 35.619 3.687 4.581 1.00 24.27 C ATOM 515 CD2 LEU A 35 36.949 5.593 5.441 1.00 25.41 C ATOM 516 HA LEU A 35 38.948 6.098 3.878 1.00 0.00 H ATOM 517 HB2 LEU A 35 37.496 3.732 2.623 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.368 3.691 4.173 1.00 0.00 H ATOM 519 HG LEU A 35 35.999 5.478 3.527 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.513 4.939 6.107 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.569 6.441 5.151 1.00 0.00 H ATOM 522 HD23 LEU A 35 36.056 5.952 5.953 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.310 3.161 3.678 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.142 2.998 5.244 1.00 0.00 H ATOM 525 HD13 LEU A 35 34.741 4.086 5.089 1.00 0.00 H ATOM 526 H LEU A 35 37.318 5.868 1.386 1.00 0.00 H ATOM 527 N THR A 36 40.310 5.366 1.206 1.00 26.90 N ATOM 528 CA THR A 36 41.543 4.903 0.567 1.00 28.19 C ATOM 529 C THR A 36 42.343 6.069 0.007 1.00 29.23 C ATOM 530 O THR A 36 43.011 5.934 -1.024 1.00 29.55 O ATOM 531 CB THR A 36 41.259 3.901 -0.563 1.00 28.27 C ATOM 532 OG1 THR A 36 40.504 4.524 -1.609 1.00 28.94 O ATOM 533 CG2 THR A 36 40.402 2.747 -0.069 1.00 28.91 C ATOM 534 HA THR A 36 42.125 4.403 1.341 1.00 0.00 H ATOM 535 HB THR A 36 42.229 3.550 -0.916 1.00 0.00 H ATOM 536 HG1 THR A 36 40.331 3.865 -2.327 1.00 0.00 H ATOM 537 HG23 THR A 36 40.923 2.227 0.735 1.00 0.00 H ATOM 538 HG21 THR A 36 39.453 3.134 0.303 1.00 0.00 H ATOM 539 HG22 THR A 36 40.217 2.056 -0.891 1.00 0.00 H ATOM 540 H THR A 36 39.696 6.045 0.713 1.00 0.00 H ATOM 541 N LYS A 37 42.269 7.208 0.687 1.00 30.18 N ATOM 542 CA LYS A 37 42.951 8.411 0.233 1.00 31.16 C ATOM 543 C LYS A 37 44.431 8.394 0.595 1.00 31.21 C ATOM 544 O LYS A 37 45.292 8.550 -0.273 1.00 31.29 O ATOM 545 CB LYS A 37 42.295 9.654 0.841 1.00 31.54 C ATOM 546 CG LYS A 37 42.889 10.958 0.330 1.00 32.85 C ATOM 547 CD LYS A 37 42.112 12.178 0.783 1.00 34.20 C ATOM 548 CE LYS A 37 42.740 13.457 0.241 1.00 35.41 C ATOM 549 NZ LYS A 37 42.001 14.688 0.648 1.00 36.41 N ATOM 550 HA LYS A 37 42.866 8.441 -0.853 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.232 9.639 0.598 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.420 9.617 1.923 1.00 0.00 H ATOM 553 HG2 LYS A 37 43.912 11.041 0.696 1.00 0.00 H ATOM 554 HG3 LYS A 37 42.895 10.934 -0.760 1.00 0.00 H ATOM 555 HD2 LYS A 37 41.087 12.103 0.421 1.00 0.00 H ATOM 556 HD3 LYS A 37 42.110 12.215 1.872 1.00 0.00 H ATOM 557 HE2 LYS A 37 42.753 13.403 -0.848 1.00 0.00 H ATOM 558 HE3 LYS A 37 43.762 13.527 0.612 1.00 0.00 H ATOM 559 HZ1 LYS A 37 41.025 14.639 0.291 1.00 0.00 H ATOM 560 HZ2 LYS A 37 41.989 14.757 1.686 1.00 0.00 H ATOM 561 HZ3 LYS A 37 42.475 15.523 0.250 1.00 0.00 H ATOM 562 H LYS A 37 41.711 7.241 1.564 1.00 0.00 H ATOM 563 N ASP A 38 44.721 8.216 1.880 1.00 31.62 N ATOM 564 CA ASP A 38 46.098 8.217 2.375 1.00 32.07 C ATOM 565 C ASP A 38 46.694 6.819 2.401 1.00 31.45 C ATOM 566 O ASP A 38 47.903 6.656 2.571 1.00 31.72 O ATOM 567 CB ASP A 38 46.162 8.821 3.780 1.00 32.61 C ATOM 568 CG ASP A 38 45.641 10.242 3.822 1.00 34.40 C ATOM 569 OD1 ASP A 38 46.113 11.067 3.010 1.00 36.22 O ATOM 570 OD2 ASP A 38 44.762 10.622 4.627 1.00 36.36 O ATOM 571 HA ASP A 38 46.684 8.825 1.685 1.00 0.00 H ATOM 572 HB2 ASP A 38 45.562 8.208 4.453 1.00 0.00 H ATOM 573 HB3 ASP A 38 47.199 8.818 4.116 1.00 0.00 H ATOM 574 H ASP A 38 43.944 8.071 2.556 1.00 0.00 H ATOM 575 N ARG A 39 45.832 5.817 2.260 1.00 30.48 N ATOM 576 CA ARG A 39 46.246 4.424 2.228 1.00 29.73 C ATOM 577 C ARG A 39 44.986 3.571 2.183 1.00 28.41 C ATOM 578 O ARG A 39 43.874 4.103 2.186 1.00 28.21 O ATOM 579 CB ARG A 39 47.110 4.061 3.436 1.00 30.04 C ATOM 580 CG ARG A 39 46.381 3.744 4.714 1.00 31.94 C ATOM 581 CD ARG A 39 47.342 3.561 5.883 1.00 33.91 C ATOM 582 NE ARG A 39 47.131 2.318 6.621 1.00 35.38 N ATOM 583 CZ ARG A 39 46.105 2.082 7.427 1.00 36.48 C ATOM 584 NH1 ARG A 39 45.164 3.000 7.611 1.00 37.11 N ATOM 585 NH2 ARG A 39 46.020 0.914 8.048 1.00 36.87 N ATOM 586 HA ARG A 39 46.862 4.243 1.347 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.704 3.187 3.168 1.00 0.00 H ATOM 588 HB3 ARG A 39 47.774 4.903 3.633 1.00 0.00 H ATOM 589 HG2 ARG A 39 45.698 4.562 4.943 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.812 2.824 4.577 1.00 0.00 H ATOM 591 HD2 ARG A 39 47.213 4.397 6.570 1.00 0.00 H ATOM 592 HD3 ARG A 39 48.361 3.564 5.496 1.00 0.00 H ATOM 593 HE ARG A 39 47.837 1.563 6.506 1.00 0.00 H ATOM 594 HH12 ARG A 39 44.364 2.804 8.245 1.00 0.00 H ATOM 595 HH11 ARG A 39 45.227 3.915 7.121 1.00 0.00 H ATOM 596 HH22 ARG A 39 45.219 0.719 8.682 1.00 0.00 H ATOM 597 HH21 ARG A 39 46.754 0.192 7.901 1.00 0.00 H ATOM 598 H ARG A 39 44.820 6.039 2.169 1.00 0.00 H ATOM 599 N CYS A 40 45.151 2.256 2.133 1.00 26.75 N ATOM 600 CA CYS A 40 43.992 1.368 2.127 1.00 25.45 C ATOM 601 C CYS A 40 43.630 0.968 3.571 1.00 24.06 C ATOM 602 O CYS A 40 44.372 0.273 4.236 1.00 23.99 O ATOM 603 CB CYS A 40 44.248 0.124 1.260 1.00 25.33 C ATOM 604 SG CYS A 40 44.833 0.410 -0.442 1.00 26.54 S ATOM 605 HA CYS A 40 43.149 1.903 1.689 1.00 0.00 H ATOM 606 HB2 CYS A 40 43.313 -0.432 1.198 1.00 0.00 H ATOM 607 HB3 CYS A 40 44.997 -0.483 1.768 1.00 0.00 H ATOM 608 H CYS A 40 46.110 1.856 2.098 1.00 0.00 H ATOM 609 N LYS A 41 42.488 1.443 4.074 1.00 22.46 N ATOM 610 CA LYS A 41 42.045 1.064 5.414 1.00 20.99 C ATOM 611 C LYS A 41 41.858 -0.454 5.383 1.00 20.20 C ATOM 612 O LYS A 41 41.135 -0.947 4.531 1.00 20.13 O ATOM 613 CB LYS A 41 40.720 1.746 5.751 1.00 19.81 C ATOM 614 CG LYS A 41 40.255 1.494 7.185 1.00 18.23 C ATOM 615 CD LYS A 41 38.991 2.271 7.533 1.00 16.66 C ATOM 616 CE LYS A 41 38.593 2.088 8.978 1.00 16.62 C ATOM 617 NZ LYS A 41 37.441 2.972 9.332 1.00 15.50 N ATOM 618 HA LYS A 41 42.769 1.366 6.170 1.00 0.00 H ATOM 619 HB2 LYS A 41 40.838 2.820 5.610 1.00 0.00 H ATOM 620 HB3 LYS A 41 39.956 1.373 5.069 1.00 0.00 H ATOM 621 HG2 LYS A 41 40.056 0.429 7.306 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.049 1.794 7.868 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.167 3.331 7.348 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.177 1.923 6.897 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.442 2.335 9.616 1.00 0.00 H ATOM 626 HE3 LYS A 41 38.308 1.049 9.141 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.709 3.966 9.182 1.00 0.00 H ATOM 628 HZ2 LYS A 41 36.627 2.737 8.729 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.188 2.826 10.330 1.00 0.00 H ATOM 630 H LYS A 41 41.906 2.091 3.505 1.00 0.00 H ATOM 631 N PRO A 42 42.509 -1.196 6.261 1.00 20.81 N ATOM 632 CA PRO A 42 42.471 -2.669 6.251 1.00 20.31 C ATOM 633 C PRO A 42 41.089 -3.336 6.329 1.00 19.16 C ATOM 634 O PRO A 42 40.821 -4.303 5.600 1.00 19.73 O ATOM 635 CB PRO A 42 43.309 -3.037 7.478 1.00 21.10 C ATOM 636 CG PRO A 42 44.251 -1.901 7.607 1.00 22.11 C ATOM 637 CD PRO A 42 43.447 -0.686 7.276 1.00 21.36 C ATOM 638 HA PRO A 42 42.836 -3.033 5.290 1.00 0.00 H ATOM 639 HD3 PRO A 42 42.916 -0.313 8.152 1.00 0.00 H ATOM 640 HD2 PRO A 42 44.077 0.106 6.870 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.082 -2.012 6.910 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.638 -1.838 8.624 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.682 -3.127 8.365 1.00 0.00 H ATOM 644 HB3 PRO A 42 43.846 -3.972 7.318 1.00 0.00 H ATOM 645 N VAL A 43 40.257 -2.858 7.245 1.00 17.73 N ATOM 646 CA VAL A 43 38.919 -3.402 7.435 1.00 17.24 C ATOM 647 C VAL A 43 37.927 -2.289 7.744 1.00 14.84 C ATOM 648 O VAL A 43 38.236 -1.336 8.444 1.00 15.52 O ATOM 649 CB VAL A 43 38.881 -4.426 8.590 1.00 18.92 C ATOM 650 CG1 VAL A 43 39.273 -3.802 9.887 1.00 21.16 C ATOM 651 CG2 VAL A 43 37.513 -5.042 8.716 1.00 21.25 C ATOM 652 HA VAL A 43 38.645 -3.902 6.506 1.00 0.00 H ATOM 653 HB VAL A 43 39.603 -5.207 8.352 1.00 0.00 H ATOM 654 HG11 VAL A 43 40.286 -3.408 9.808 1.00 0.00 H ATOM 655 HG12 VAL A 43 38.584 -2.991 10.121 1.00 0.00 H ATOM 656 HG13 VAL A 43 39.235 -4.553 10.676 1.00 0.00 H ATOM 657 HG21 VAL A 43 36.781 -4.260 8.916 1.00 0.00 H ATOM 658 HG22 VAL A 43 37.258 -5.551 7.787 1.00 0.00 H ATOM 659 HG23 VAL A 43 37.513 -5.759 9.537 1.00 0.00 H ATOM 660 H VAL A 43 40.570 -2.070 7.847 1.00 0.00 H ATOM 661 N ASN A 44 36.706 -2.427 7.242 1.00 13.04 N ATOM 662 CA ASN A 44 35.682 -1.429 7.479 1.00 12.55 C ATOM 663 C ASN A 44 34.320 -2.019 7.218 1.00 12.54 C ATOM 664 O ASN A 44 34.143 -2.703 6.222 1.00 14.99 O ATOM 665 CB ASN A 44 35.883 -0.238 6.554 1.00 12.52 C ATOM 666 CG ASN A 44 35.024 0.945 6.927 1.00 12.57 C ATOM 667 OD1 ASN A 44 35.297 1.637 7.910 1.00 15.10 O ATOM 668 ND2 ASN A 44 33.975 1.179 6.145 1.00 12.60 N ATOM 669 HA ASN A 44 35.754 -1.103 8.517 1.00 0.00 H ATOM 670 HB2 ASN A 44 36.929 0.064 6.597 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.635 -0.541 5.537 1.00 0.00 H ATOM 672 HD22 ASN A 44 33.789 0.564 5.327 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.340 1.977 6.351 1.00 0.00 H ATOM 674 H ASN A 44 36.480 -3.265 6.669 1.00 0.00 H ATOM 675 N THR A 45 33.361 -1.731 8.077 1.00 11.15 N ATOM 676 CA THR A 45 31.999 -2.245 7.932 1.00 11.41 C ATOM 677 C THR A 45 31.013 -1.149 7.604 1.00 10.75 C ATOM 678 O THR A 45 31.063 -0.075 8.179 1.00 11.35 O ATOM 679 CB THR A 45 31.595 -2.925 9.238 1.00 12.35 C ATOM 680 OG1 THR A 45 32.470 -4.030 9.465 1.00 14.63 O ATOM 681 CG2 THR A 45 30.212 -3.512 9.146 1.00 12.69 C ATOM 682 HA THR A 45 31.984 -2.954 7.104 1.00 0.00 H ATOM 683 HB THR A 45 31.638 -2.175 10.028 1.00 0.00 H ATOM 684 HG1 THR A 45 32.394 -4.670 8.713 1.00 0.00 H ATOM 685 HG23 THR A 45 29.491 -2.714 8.972 1.00 0.00 H ATOM 686 HG21 THR A 45 30.175 -4.223 8.321 1.00 0.00 H ATOM 687 HG22 THR A 45 29.973 -4.023 10.079 1.00 0.00 H ATOM 688 H THR A 45 33.581 -1.116 8.887 1.00 0.00 H ATOM 689 N PHE A 46 30.108 -1.455 6.681 1.00 10.87 N ATOM 690 CA PHE A 46 28.980 -0.592 6.342 1.00 12.07 C ATOM 691 C PHE A 46 27.678 -1.196 6.858 1.00 12.05 C ATOM 692 O PHE A 46 27.487 -2.393 6.767 1.00 13.37 O ATOM 693 CB PHE A 46 28.878 -0.385 4.827 1.00 12.14 C ATOM 694 CG PHE A 46 30.001 0.451 4.270 1.00 13.39 C ATOM 695 CD1 PHE A 46 29.998 1.813 4.428 1.00 15.01 C ATOM 696 CD2 PHE A 46 31.099 -0.142 3.661 1.00 13.77 C ATOM 697 CE1 PHE A 46 31.048 2.581 3.960 1.00 15.82 C ATOM 698 CE2 PHE A 46 32.154 0.624 3.170 1.00 14.91 C ATOM 699 CZ PHE A 46 32.124 1.983 3.321 1.00 16.19 C ATOM 700 HA PHE A 46 29.148 0.375 6.817 1.00 0.00 H ATOM 701 HB2 PHE A 46 28.897 -1.360 4.341 1.00 0.00 H ATOM 702 HB3 PHE A 46 27.933 0.111 4.607 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.136 -1.227 3.565 1.00 0.00 H ATOM 704 HE2 PHE A 46 32.996 0.145 2.670 1.00 0.00 H ATOM 705 HZ PHE A 46 32.943 2.594 2.941 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.030 3.663 4.094 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.158 2.296 4.928 1.00 0.00 H ATOM 708 H PHE A 46 30.208 -2.357 6.173 1.00 0.00 H ATOM 709 N VAL A 47 26.815 -0.354 7.414 1.00 12.15 N ATOM 710 CA VAL A 47 25.545 -0.778 7.980 1.00 12.58 C ATOM 711 C VAL A 47 24.368 -0.308 7.079 1.00 13.23 C ATOM 712 O VAL A 47 24.256 0.856 6.766 1.00 14.31 O ATOM 713 CB VAL A 47 25.366 -0.255 9.420 1.00 12.56 C ATOM 714 CG1 VAL A 47 24.067 -0.794 10.035 1.00 13.99 C ATOM 715 CG2 VAL A 47 26.581 -0.606 10.291 1.00 13.38 C ATOM 716 HA VAL A 47 25.544 -1.867 8.021 1.00 0.00 H ATOM 717 HB VAL A 47 25.294 0.832 9.379 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.219 -0.468 9.433 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.101 -1.883 10.057 1.00 0.00 H ATOM 720 HG13 VAL A 47 23.962 -0.412 11.050 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.701 -1.689 10.325 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.476 -0.153 9.864 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.425 -0.224 11.300 1.00 0.00 H ATOM 724 H VAL A 47 27.059 0.656 7.446 1.00 0.00 H ATOM 725 N HIS A 48 23.500 -1.257 6.742 1.00 13.95 N ATOM 726 CA HIS A 48 22.350 -1.012 5.868 1.00 15.15 C ATOM 727 C HIS A 48 21.082 -1.046 6.678 1.00 15.69 C ATOM 728 O HIS A 48 20.237 -1.940 6.548 1.00 18.37 O ATOM 729 CB HIS A 48 22.245 -2.095 4.828 1.00 15.33 C ATOM 730 CG HIS A 48 23.524 -2.341 4.111 1.00 15.12 C ATOM 731 ND1 HIS A 48 24.193 -1.356 3.412 1.00 15.85 N ATOM 732 CD2 HIS A 48 24.280 -3.456 4.027 1.00 14.99 C ATOM 733 CE1 HIS A 48 25.318 -1.867 2.933 1.00 15.79 C ATOM 734 NE2 HIS A 48 25.378 -3.148 3.266 1.00 15.98 N ATOM 735 HA HIS A 48 22.486 -0.040 5.394 1.00 0.00 H ATOM 736 HB2 HIS A 48 21.939 -3.019 5.319 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.489 -1.804 4.099 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.059 -4.422 4.480 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.069 -1.324 2.360 1.00 0.00 H ATOM 740 H HIS A 48 23.644 -2.217 7.116 1.00 0.00 H ATOM 741 N GLU A 49 20.991 -0.110 7.586 1.00 15.07 N ATOM 742 CA GLU A 49 19.793 0.115 8.372 1.00 14.80 C ATOM 743 C GLU A 49 19.600 1.607 8.378 1.00 14.80 C ATOM 744 O GLU A 49 20.491 2.338 7.962 1.00 14.30 O ATOM 745 CB GLU A 49 19.932 -0.432 9.790 1.00 14.46 C ATOM 746 CG GLU A 49 20.166 -1.931 9.848 1.00 15.84 C ATOM 747 CD GLU A 49 19.005 -2.800 9.383 1.00 16.45 C ATOM 748 OE1 GLU A 49 17.873 -2.317 9.233 1.00 18.02 O ATOM 749 OE2 GLU A 49 19.262 -3.991 9.177 1.00 17.81 O ATOM 750 HA GLU A 49 18.935 -0.405 7.946 1.00 0.00 H ATOM 751 HB2 GLU A 49 20.774 0.066 10.270 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.017 -0.205 10.337 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.028 -2.160 9.221 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.389 -2.195 10.882 1.00 0.00 H ATOM 755 H GLU A 49 21.816 0.501 7.752 1.00 0.00 H ATOM 756 N SER A 50 18.436 2.067 8.815 1.00 14.50 N ATOM 757 CA SER A 50 18.198 3.479 8.878 1.00 15.74 C ATOM 758 C SER A 50 19.129 4.127 9.886 1.00 15.23 C ATOM 759 O SER A 50 19.643 3.485 10.830 1.00 15.50 O ATOM 760 CB SER A 50 16.762 3.768 9.284 1.00 15.18 C ATOM 761 OG SER A 50 16.583 3.451 10.655 1.00 17.17 O ATOM 762 HA SER A 50 18.383 3.890 7.886 1.00 0.00 H ATOM 763 HB2 SER A 50 16.085 3.164 8.680 1.00 0.00 H ATOM 764 HB3 SER A 50 16.545 4.824 9.124 1.00 0.00 H ATOM 765 HG SER A 50 15.647 3.640 10.917 1.00 0.00 H ATOM 766 H SER A 50 17.694 1.402 9.113 1.00 0.00 H ATOM 767 N LEU A 51 19.338 5.415 9.713 1.00 15.53 N ATOM 768 CA LEU A 51 20.164 6.186 10.605 1.00 16.59 C ATOM 769 C LEU A 51 19.596 6.145 12.020 1.00 15.98 C ATOM 770 O LEU A 51 20.336 5.940 12.998 1.00 16.81 O ATOM 771 CB LEU A 51 20.244 7.641 10.159 1.00 17.20 C ATOM 772 CG LEU A 51 21.149 8.492 11.060 1.00 18.89 C ATOM 773 CD1 LEU A 51 22.583 7.971 11.137 1.00 19.80 C ATOM 774 CD2 LEU A 51 21.157 9.918 10.576 1.00 20.62 C ATOM 775 HA LEU A 51 21.162 5.748 10.588 1.00 0.00 H ATOM 776 HB2 LEU A 51 20.636 7.673 9.142 1.00 0.00 H ATOM 777 HB3 LEU A 51 19.240 8.065 10.173 1.00 0.00 H ATOM 778 HG LEU A 51 20.734 8.432 12.066 1.00 0.00 H ATOM 779 HD21 LEU A 51 21.533 9.951 9.553 1.00 0.00 H ATOM 780 HD22 LEU A 51 20.143 10.316 10.605 1.00 0.00 H ATOM 781 HD23 LEU A 51 21.802 10.516 11.221 1.00 0.00 H ATOM 782 HD11 LEU A 51 22.579 6.957 11.537 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.021 7.967 10.139 1.00 0.00 H ATOM 784 HD13 LEU A 51 23.169 8.618 11.790 1.00 0.00 H ATOM 785 H LEU A 51 18.891 5.892 8.904 1.00 0.00 H ATOM 786 N ALA A 52 18.283 6.306 12.154 1.00 16.40 N ATOM 787 CA ALA A 52 17.651 6.283 13.468 1.00 16.48 C ATOM 788 C ALA A 52 17.909 4.970 14.183 1.00 15.78 C ATOM 789 O ALA A 52 18.161 4.947 15.387 1.00 16.20 O ATOM 790 CB ALA A 52 16.141 6.522 13.344 1.00 17.12 C ATOM 791 HA ALA A 52 18.092 7.086 14.059 1.00 0.00 H ATOM 792 HB1 ALA A 52 15.965 7.494 12.883 1.00 0.00 H ATOM 793 HB2 ALA A 52 15.700 5.740 12.725 1.00 0.00 H ATOM 794 HB3 ALA A 52 15.688 6.501 14.335 1.00 0.00 H ATOM 795 H ALA A 52 17.697 6.451 11.307 1.00 0.00 H ATOM 796 N ASP A 53 17.825 3.873 13.457 1.00 14.93 N ATOM 797 CA ASP A 53 18.032 2.554 14.047 1.00 15.17 C ATOM 798 C ASP A 53 19.472 2.381 14.546 1.00 14.19 C ATOM 799 O ASP A 53 19.695 1.759 15.595 1.00 15.45 O ATOM 800 CB ASP A 53 17.715 1.446 13.049 1.00 15.46 C ATOM 801 CG ASP A 53 16.241 1.156 12.953 1.00 18.58 C ATOM 802 OD1 ASP A 53 15.421 1.790 13.680 1.00 22.47 O ATOM 803 OD2 ASP A 53 15.825 0.247 12.208 1.00 20.15 O ATOM 804 HA ASP A 53 17.351 2.480 14.895 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.076 1.748 12.066 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.230 0.537 13.361 1.00 0.00 H ATOM 807 H ASP A 53 17.607 3.949 12.443 1.00 0.00 H ATOM 808 N VAL A 54 20.461 2.908 13.820 1.00 13.37 N ATOM 809 CA VAL A 54 21.842 2.783 14.262 1.00 12.50 C ATOM 810 C VAL A 54 22.101 3.736 15.434 1.00 13.09 C ATOM 811 O VAL A 54 22.764 3.354 16.413 1.00 12.39 O ATOM 812 CB VAL A 54 22.809 3.012 13.093 1.00 13.29 C ATOM 813 CG1 VAL A 54 24.261 2.976 13.570 1.00 13.27 C ATOM 814 CG2 VAL A 54 22.577 1.964 12.042 1.00 13.92 C ATOM 815 HA VAL A 54 22.019 1.768 14.618 1.00 0.00 H ATOM 816 HB VAL A 54 22.622 3.998 12.669 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.418 3.758 14.313 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.472 2.003 14.014 1.00 0.00 H ATOM 819 HG13 VAL A 54 24.925 3.141 12.722 1.00 0.00 H ATOM 820 HG21 VAL A 54 22.750 0.977 12.471 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.550 2.031 11.684 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.264 2.126 11.211 1.00 0.00 H ATOM 823 H VAL A 54 20.244 3.410 12.935 1.00 0.00 H ATOM 824 N GLN A 55 21.589 4.960 15.373 1.00 13.05 N ATOM 825 CA GLN A 55 21.760 5.884 16.479 1.00 13.51 C ATOM 826 C GLN A 55 21.125 5.332 17.754 1.00 13.29 C ATOM 827 O GLN A 55 21.648 5.549 18.864 1.00 14.19 O ATOM 828 CB GLN A 55 21.122 7.231 16.162 1.00 13.79 C ATOM 829 CG GLN A 55 21.899 8.012 15.109 1.00 14.03 C ATOM 830 CD GLN A 55 21.239 9.284 14.670 1.00 15.05 C ATOM 831 OE1 GLN A 55 21.933 10.222 14.287 1.00 17.66 O ATOM 832 NE2 GLN A 55 19.920 9.324 14.702 1.00 14.86 N ATOM 833 HA GLN A 55 22.832 6.012 16.631 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.110 7.061 15.795 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.081 7.822 17.077 1.00 0.00 H ATOM 836 HG2 GLN A 55 22.877 8.260 15.521 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.025 7.374 14.235 1.00 0.00 H ATOM 838 HE22 GLN A 55 19.383 8.499 15.036 1.00 0.00 H ATOM 839 HE21 GLN A 55 19.418 10.181 14.393 1.00 0.00 H ATOM 840 H GLN A 55 21.062 5.258 14.527 1.00 0.00 H ATOM 841 N ALA A 56 20.061 4.559 17.601 1.00 12.67 N ATOM 842 CA ALA A 56 19.368 4.014 18.759 1.00 12.97 C ATOM 843 C ALA A 56 20.226 3.006 19.515 1.00 12.80 C ATOM 844 O ALA A 56 19.965 2.724 20.703 1.00 13.50 O ATOM 845 CB ALA A 56 18.050 3.376 18.331 1.00 13.74 C ATOM 846 HA ALA A 56 19.163 4.841 19.439 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.420 4.129 17.859 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.250 2.572 17.623 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.542 2.972 19.207 1.00 0.00 H ATOM 850 H ALA A 56 19.717 4.339 16.644 1.00 0.00 H ATOM 851 N VAL A 57 21.221 2.432 18.854 1.00 12.45 N ATOM 852 CA VAL A 57 22.077 1.436 19.512 1.00 12.02 C ATOM 853 C VAL A 57 22.810 2.019 20.716 1.00 11.42 C ATOM 854 O VAL A 57 23.124 1.308 21.673 1.00 12.09 O ATOM 855 CB VAL A 57 23.032 0.773 18.483 1.00 12.07 C ATOM 856 CG1 VAL A 57 24.018 -0.190 19.183 1.00 11.75 C ATOM 857 CG2 VAL A 57 22.214 0.080 17.395 1.00 13.74 C ATOM 858 HA VAL A 57 21.439 0.648 19.912 1.00 0.00 H ATOM 859 HB VAL A 57 23.639 1.542 18.006 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.614 0.365 19.907 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.458 -0.972 19.696 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.675 -0.640 18.438 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.583 -0.684 17.848 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.589 0.815 16.888 1.00 0.00 H ATOM 865 HG23 VAL A 57 22.888 -0.384 16.675 1.00 0.00 H ATOM 866 H VAL A 57 21.397 2.689 17.862 1.00 0.00 H ATOM 867 N CYS A 58 23.022 3.320 20.728 1.00 12.03 N ATOM 868 CA CYS A 58 23.675 3.974 21.852 1.00 12.58 C ATOM 869 C CYS A 58 22.893 3.865 23.164 1.00 12.30 C ATOM 870 O CYS A 58 23.452 4.153 24.205 1.00 13.07 O ATOM 871 CB CYS A 58 23.955 5.455 21.549 1.00 12.86 C ATOM 872 SG CYS A 58 25.112 5.773 20.216 1.00 14.38 S ATOM 873 HA CYS A 58 24.615 3.439 21.988 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.353 5.913 22.455 1.00 0.00 H ATOM 875 HB3 CYS A 58 23.008 5.929 21.291 1.00 0.00 H ATOM 876 H CYS A 58 22.715 3.892 19.915 1.00 0.00 H ATOM 877 N SER A 59 21.635 3.421 23.099 1.00 12.86 N ATOM 878 CA SER A 59 20.784 3.213 24.258 1.00 13.97 C ATOM 879 C SER A 59 20.509 1.760 24.500 1.00 13.99 C ATOM 880 O SER A 59 19.649 1.447 25.351 1.00 15.49 O ATOM 881 CB SER A 59 19.414 3.865 24.006 1.00 16.00 C ATOM 882 OG SER A 59 18.611 3.117 23.063 1.00 16.76 O ATOM 883 HA SER A 59 21.306 3.643 25.113 1.00 0.00 H ATOM 884 HB2 SER A 59 19.571 4.869 23.613 1.00 0.00 H ATOM 885 HB3 SER A 59 18.876 3.927 24.952 1.00 0.00 H ATOM 886 HG SER A 59 19.087 3.061 22.197 1.00 0.00 H ATOM 887 H SER A 59 21.240 3.211 22.160 1.00 0.00 H ATOM 888 N GLN A 60 21.186 0.880 23.776 1.00 12.65 N ATOM 889 CA GLN A 60 20.962 -0.556 23.839 1.00 12.95 C ATOM 890 C GLN A 60 21.961 -1.293 24.769 1.00 12.49 C ATOM 891 O GLN A 60 22.228 -0.774 25.835 1.00 14.27 O ATOM 892 CB GLN A 60 20.827 -1.124 22.410 1.00 11.87 C ATOM 893 CG GLN A 60 19.534 -0.617 21.751 1.00 13.97 C ATOM 894 CD GLN A 60 19.330 -1.000 20.301 1.00 13.86 C ATOM 895 OE1 GLN A 60 19.744 -2.032 19.866 1.00 14.31 O ATOM 896 NE2 GLN A 60 18.603 -0.156 19.569 1.00 16.40 N ATOM 897 HA GLN A 60 20.010 -0.749 24.334 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.683 -0.806 21.814 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.803 -2.213 22.457 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.693 -1.011 22.321 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.534 0.471 21.811 1.00 0.00 H ATOM 902 HE22 GLN A 60 18.262 0.733 19.987 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.377 -0.387 18.580 1.00 0.00 H ATOM 904 H GLN A 60 21.917 1.236 23.128 1.00 0.00 H ATOM 905 N LYS A 61 22.434 -2.481 24.425 1.00 11.65 N ATOM 906 CA LYS A 61 23.147 -3.297 25.424 1.00 12.10 C ATOM 907 C LYS A 61 24.581 -2.841 25.639 1.00 11.07 C ATOM 908 O LYS A 61 25.428 -3.000 24.759 1.00 11.11 O ATOM 909 CB LYS A 61 23.122 -4.772 25.029 1.00 12.91 C ATOM 910 CG LYS A 61 23.726 -5.705 26.058 1.00 15.41 C ATOM 911 CD LYS A 61 23.668 -7.148 25.566 1.00 20.38 C ATOM 912 CE LYS A 61 24.553 -7.392 24.344 1.00 24.82 C ATOM 913 NZ LYS A 61 24.519 -8.805 23.846 1.00 27.07 N ATOM 914 HA LYS A 61 22.620 -3.164 26.369 1.00 0.00 H ATOM 915 HB2 LYS A 61 22.084 -5.065 24.870 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.677 -4.885 24.098 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.765 -5.425 26.231 1.00 0.00 H ATOM 918 HG3 LYS A 61 23.169 -5.621 26.991 1.00 0.00 H ATOM 919 HD2 LYS A 61 23.997 -7.805 26.371 1.00 0.00 H ATOM 920 HD3 LYS A 61 22.637 -7.386 25.303 1.00 0.00 H ATOM 921 HE2 LYS A 61 25.581 -7.145 24.609 1.00 0.00 H ATOM 922 HE3 LYS A 61 24.219 -6.736 23.540 1.00 0.00 H ATOM 923 HZ1 LYS A 61 24.846 -9.444 24.598 1.00 0.00 H ATOM 924 HZ2 LYS A 61 23.545 -9.053 23.578 1.00 0.00 H ATOM 925 HZ3 LYS A 61 25.142 -8.894 23.018 1.00 0.00 H ATOM 926 H LYS A 61 22.303 -2.836 23.456 1.00 0.00 H ATOM 927 N ASN A 62 24.895 -2.328 26.823 1.00 10.53 N ATOM 928 CA ASN A 62 26.259 -1.848 27.095 1.00 10.78 C ATOM 929 C ASN A 62 27.174 -3.068 27.207 1.00 10.58 C ATOM 930 O ASN A 62 26.902 -3.985 28.001 1.00 12.20 O ATOM 931 CB ASN A 62 26.220 -1.052 28.396 1.00 12.58 C ATOM 932 CG ASN A 62 27.517 -0.318 28.734 1.00 13.86 C ATOM 933 OD1 ASN A 62 27.759 -0.064 29.917 1.00 16.56 O ATOM 934 ND2 ASN A 62 28.303 0.083 27.762 1.00 13.95 N ATOM 935 HA ASN A 62 26.638 -1.203 26.302 1.00 0.00 H ATOM 936 HB2 ASN A 62 25.422 -0.314 28.319 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.998 -1.742 29.210 1.00 0.00 H ATOM 938 HD22 ASN A 62 28.069 -0.148 26.775 1.00 0.00 H ATOM 939 HD21 ASN A 62 29.159 0.632 27.979 1.00 0.00 H ATOM 940 H ASN A 62 24.169 -2.265 27.565 1.00 0.00 H ATOM 941 N VAL A 63 28.245 -3.096 26.433 1.00 10.67 N ATOM 942 CA VAL A 63 29.223 -4.190 26.413 1.00 11.39 C ATOM 943 C VAL A 63 30.611 -3.575 26.401 1.00 11.40 C ATOM 944 O VAL A 63 30.771 -2.449 25.935 1.00 13.33 O ATOM 945 CB VAL A 63 29.061 -5.112 25.184 1.00 12.11 C ATOM 946 CG1 VAL A 63 27.721 -5.773 25.190 1.00 12.99 C ATOM 947 CG2 VAL A 63 29.276 -4.364 23.882 1.00 12.10 C ATOM 948 HA VAL A 63 29.063 -4.809 27.296 1.00 0.00 H ATOM 949 HB VAL A 63 29.832 -5.880 25.254 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.616 -6.371 26.095 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.942 -5.012 25.164 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.631 -6.417 24.315 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.547 -3.558 23.803 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.283 -3.947 23.866 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.152 -5.051 23.045 1.00 0.00 H ATOM 956 H VAL A 63 28.405 -2.290 25.796 1.00 0.00 H ATOM 957 N ALA A 64 31.615 -4.262 26.951 1.00 11.27 N ATOM 958 CA ALA A 64 32.978 -3.725 26.932 1.00 10.66 C ATOM 959 C ALA A 64 33.474 -3.515 25.504 1.00 10.47 C ATOM 960 O ALA A 64 33.246 -4.323 24.619 1.00 10.96 O ATOM 961 CB ALA A 64 33.920 -4.660 27.702 1.00 11.84 C ATOM 962 HA ALA A 64 32.968 -2.751 27.421 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.581 -4.745 28.735 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.915 -5.645 27.234 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.931 -4.252 27.682 1.00 0.00 H ATOM 966 H ALA A 64 31.428 -5.184 27.395 1.00 0.00 H ATOM 967 N CYS A 65 34.185 -2.419 25.305 1.00 10.47 N ATOM 968 CA CYS A 65 34.820 -2.102 24.046 1.00 10.17 C ATOM 969 C CYS A 65 36.119 -2.872 23.927 1.00 9.96 C ATOM 970 O CYS A 65 36.773 -3.129 24.924 1.00 10.34 O ATOM 971 CB CYS A 65 35.203 -0.607 24.015 1.00 10.20 C ATOM 972 SG CYS A 65 33.838 0.537 24.215 1.00 12.09 S ATOM 973 HA CYS A 65 34.127 -2.352 23.243 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.678 -0.401 23.056 1.00 0.00 H ATOM 975 HB3 CYS A 65 35.916 -0.425 24.819 1.00 0.00 H ATOM 976 H CYS A 65 34.293 -1.751 26.094 1.00 0.00 H ATOM 977 N LYS A 66 36.539 -3.135 22.703 1.00 9.74 N ATOM 978 CA LYS A 66 37.817 -3.791 22.494 1.00 11.60 C ATOM 979 C LYS A 66 38.986 -3.060 23.164 1.00 12.17 C ATOM 980 O LYS A 66 39.926 -3.717 23.613 1.00 13.30 O ATOM 981 CB LYS A 66 38.097 -3.963 21.004 1.00 12.26 C ATOM 982 CG LYS A 66 37.235 -5.046 20.374 1.00 13.31 C ATOM 983 CD LYS A 66 37.459 -5.102 18.883 1.00 16.30 C ATOM 984 CE LYS A 66 36.811 -6.315 18.260 1.00 18.89 C ATOM 985 NZ LYS A 66 36.817 -6.186 16.786 1.00 22.75 N ATOM 986 HA LYS A 66 37.738 -4.769 22.968 1.00 0.00 H ATOM 987 HB2 LYS A 66 37.898 -3.018 20.499 1.00 0.00 H ATOM 988 HB3 LYS A 66 39.146 -4.229 20.873 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.494 -6.010 20.812 1.00 0.00 H ATOM 990 HG3 LYS A 66 36.185 -4.829 20.571 1.00 0.00 H ATOM 991 HD2 LYS A 66 37.037 -4.205 18.429 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.531 -5.136 18.689 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.783 -6.397 18.612 1.00 0.00 H ATOM 994 HE3 LYS A 66 37.365 -7.209 18.547 1.00 0.00 H ATOM 995 HZ1 LYS A 66 36.288 -5.334 16.512 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.798 -6.109 16.450 1.00 0.00 H ATOM 997 HZ3 LYS A 66 36.369 -7.025 16.364 1.00 0.00 H ATOM 998 H LYS A 66 35.952 -2.871 21.886 1.00 0.00 H ATOM 999 N ASN A 67 38.944 -1.726 23.231 1.00 12.36 N ATOM 1000 CA ASN A 67 40.013 -0.947 23.874 1.00 14.06 C ATOM 1001 C ASN A 67 39.877 -0.838 25.381 1.00 13.83 C ATOM 1002 O ASN A 67 40.688 -0.183 26.017 1.00 15.82 O ATOM 1003 CB ASN A 67 40.140 0.458 23.248 1.00 14.36 C ATOM 1004 CG ASN A 67 39.053 1.432 23.704 1.00 13.92 C ATOM 1005 OD1 ASN A 67 38.028 1.040 24.221 1.00 12.88 O ATOM 1006 ND2 ASN A 67 39.277 2.739 23.458 1.00 14.88 N ATOM 1007 HA ASN A 67 40.927 -1.510 23.687 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.111 0.871 23.522 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.082 0.359 22.164 1.00 0.00 H ATOM 1010 HD22 ASN A 67 40.168 3.039 23.013 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.559 3.447 23.713 1.00 0.00 H ATOM 1012 H ASN A 67 38.132 -1.225 22.817 1.00 0.00 H ATOM 1013 N GLY A 68 38.848 -1.444 25.961 1.00 12.97 N ATOM 1014 CA GLY A 68 38.681 -1.423 27.398 1.00 13.57 C ATOM 1015 C GLY A 68 37.781 -0.310 27.914 1.00 13.21 C ATOM 1016 O GLY A 68 37.408 -0.309 29.071 1.00 14.06 O ATOM 1017 HA3 GLY A 68 39.664 -1.304 27.853 1.00 0.00 H ATOM 1018 HA2 GLY A 68 38.253 -2.377 27.705 1.00 0.00 H ATOM 1019 H GLY A 68 38.150 -1.942 25.372 1.00 0.00 H ATOM 1020 N GLN A 69 37.390 0.643 27.064 1.00 12.56 N ATOM 1021 CA GLN A 69 36.431 1.675 27.485 1.00 12.42 C ATOM 1022 C GLN A 69 35.056 1.062 27.711 1.00 12.29 C ATOM 1023 O GLN A 69 34.796 -0.084 27.310 1.00 13.86 O ATOM 1024 CB GLN A 69 36.315 2.796 26.468 1.00 12.32 C ATOM 1025 CG GLN A 69 37.482 3.734 26.457 1.00 14.68 C ATOM 1026 CD GLN A 69 37.157 4.949 25.611 1.00 15.33 C ATOM 1027 OE1 GLN A 69 37.643 4.935 24.396 1.00 15.75 O ATOM 1028 NE2 GLN A 69 36.439 5.887 26.051 1.00 19.98 N ATOM 1029 HA GLN A 69 36.808 2.097 28.416 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.223 2.351 25.477 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.416 3.370 26.692 1.00 0.00 H ATOM 1032 HG2 GLN A 69 37.701 4.051 27.477 1.00 0.00 H ATOM 1033 HG3 GLN A 69 38.352 3.225 26.041 1.00 0.00 H ATOM 1034 HE22 GLN A 69 36.077 5.851 27.025 1.00 0.00 H ATOM 1035 HE21 GLN A 69 36.209 6.696 25.440 1.00 0.00 H ATOM 1036 H GLN A 69 37.767 0.655 26.095 1.00 0.00 H ATOM 1037 N THR A 70 34.167 1.810 28.343 1.00 13.11 N ATOM 1038 CA THR A 70 32.836 1.351 28.695 1.00 14.86 C ATOM 1039 C THR A 70 31.717 1.981 27.863 1.00 13.20 C ATOM 1040 O THR A 70 30.533 1.917 28.256 1.00 14.51 O ATOM 1041 CB THR A 70 32.550 1.688 30.181 1.00 17.08 C ATOM 1042 OG1 THR A 70 32.539 3.115 30.351 1.00 20.01 O ATOM 1043 CG2 THR A 70 33.624 1.113 31.119 1.00 19.13 C ATOM 1044 HA THR A 70 32.834 0.279 28.500 1.00 0.00 H ATOM 1045 HB THR A 70 31.586 1.246 30.434 1.00 0.00 H ATOM 1046 HG1 THR A 70 31.833 3.509 29.780 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.656 0.029 31.012 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.595 1.534 30.858 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.380 1.370 32.150 1.00 0.00 H ATOM 1050 H THR A 70 34.437 2.780 28.602 1.00 0.00 H ATOM 1051 N ASN A 71 32.069 2.597 26.737 1.00 11.69 N ATOM 1052 CA ASN A 71 31.093 3.316 25.915 1.00 10.18 C ATOM 1053 C ASN A 71 30.699 2.566 24.663 1.00 9.48 C ATOM 1054 O ASN A 71 30.393 3.206 23.648 1.00 9.88 O ATOM 1055 CB ASN A 71 31.573 4.719 25.562 1.00 9.82 C ATOM 1056 CG ASN A 71 32.808 4.708 24.701 1.00 9.88 C ATOM 1057 OD1 ASN A 71 33.711 3.881 24.884 1.00 11.72 O ATOM 1058 ND2 ASN A 71 32.862 5.632 23.743 1.00 10.00 N ATOM 1059 HA ASN A 71 30.199 3.399 26.533 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.777 5.236 25.025 1.00 0.00 H ATOM 1061 HB3 ASN A 71 31.795 5.255 26.485 1.00 0.00 H ATOM 1062 HD22 ASN A 71 32.079 6.307 23.627 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.687 5.679 23.112 1.00 0.00 H ATOM 1064 H ASN A 71 33.063 2.567 26.433 1.00 0.00 H ATOM 1065 N CYS A 72 30.669 1.230 24.722 1.00 9.01 N ATOM 1066 CA CYS A 72 30.218 0.445 23.577 1.00 9.16 C ATOM 1067 C CYS A 72 28.868 -0.193 23.845 1.00 8.90 C ATOM 1068 O CYS A 72 28.528 -0.532 24.990 1.00 10.06 O ATOM 1069 CB CYS A 72 31.255 -0.615 23.161 1.00 9.51 C ATOM 1070 SG CYS A 72 32.725 0.145 22.483 1.00 12.44 S ATOM 1071 HA CYS A 72 30.106 1.136 22.741 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.813 -1.268 22.408 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.531 -1.205 24.035 1.00 0.00 H ATOM 1074 H CYS A 72 30.970 0.746 25.592 1.00 0.00 H ATOM 1075 N TYR A 73 28.122 -0.375 22.770 1.00 9.53 N ATOM 1076 CA TYR A 73 26.751 -0.844 22.843 1.00 10.59 C ATOM 1077 C TYR A 73 26.489 -1.792 21.696 1.00 10.02 C ATOM 1078 O TYR A 73 26.892 -1.548 20.551 1.00 10.17 O ATOM 1079 CB TYR A 73 25.753 0.334 22.801 1.00 11.32 C ATOM 1080 CG TYR A 73 26.030 1.332 23.872 1.00 11.67 C ATOM 1081 CD1 TYR A 73 26.953 2.318 23.669 1.00 11.61 C ATOM 1082 CD2 TYR A 73 25.437 1.227 25.139 1.00 12.93 C ATOM 1083 CE1 TYR A 73 27.289 3.177 24.657 1.00 11.76 C ATOM 1084 CE2 TYR A 73 25.766 2.115 26.151 1.00 12.93 C ATOM 1085 CZ TYR A 73 26.697 3.075 25.899 1.00 12.58 C ATOM 1086 OH TYR A 73 27.057 3.976 26.872 1.00 13.99 O ATOM 1087 HA TYR A 73 26.609 -1.363 23.791 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.743 -0.054 22.933 1.00 0.00 H ATOM 1089 HB2 TYR A 73 25.828 0.826 21.831 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.709 0.438 25.330 1.00 0.00 H ATOM 1091 HE2 TYR A 73 25.289 2.046 27.129 1.00 0.00 H ATOM 1092 HE1 TYR A 73 28.031 3.954 24.472 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.427 2.414 22.692 1.00 0.00 H ATOM 1094 HH TYR A 73 27.741 4.594 26.511 1.00 0.00 H ATOM 1095 H TYR A 73 28.533 -0.174 21.836 1.00 0.00 H ATOM 1096 N GLN A 74 25.854 -2.909 22.011 1.00 10.52 N ATOM 1097 CA GLN A 74 25.506 -3.926 21.051 1.00 11.00 C ATOM 1098 C GLN A 74 24.009 -3.824 20.720 1.00 11.03 C ATOM 1099 O GLN A 74 23.148 -3.711 21.610 1.00 12.49 O ATOM 1100 CB GLN A 74 25.800 -5.286 21.662 1.00 11.05 C ATOM 1101 CG GLN A 74 25.529 -6.425 20.717 1.00 13.15 C ATOM 1102 CD GLN A 74 26.102 -7.703 21.222 1.00 15.44 C ATOM 1103 OE1 GLN A 74 27.263 -7.730 21.652 1.00 19.47 O ATOM 1104 NE2 GLN A 74 25.320 -8.765 21.175 1.00 18.01 N ATOM 1105 HA GLN A 74 26.084 -3.794 20.137 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.850 -5.317 21.952 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.176 -5.412 22.547 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.451 -6.541 20.602 1.00 0.00 H ATOM 1109 HG3 GLN A 74 25.974 -6.195 19.749 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.352 -8.682 20.803 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.671 -9.685 21.510 1.00 0.00 H ATOM 1112 H GLN A 74 25.592 -3.062 23.006 1.00 0.00 H ATOM 1113 N SER A 75 23.677 -3.912 19.437 1.00 11.55 N ATOM 1114 CA SER A 75 22.284 -3.873 19.016 1.00 11.79 C ATOM 1115 C SER A 75 21.539 -5.125 19.485 1.00 12.68 C ATOM 1116 O SER A 75 22.041 -6.223 19.389 1.00 12.65 O ATOM 1117 CB SER A 75 22.153 -3.720 17.496 1.00 12.45 C ATOM 1118 OG SER A 75 22.741 -4.797 16.807 1.00 13.01 O ATOM 1119 HA SER A 75 21.832 -2.997 19.481 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.644 -2.796 17.191 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.096 -3.671 17.236 1.00 0.00 H ATOM 1122 HG SER A 75 22.296 -5.640 17.074 1.00 0.00 H ATOM 1123 H SER A 75 24.425 -4.010 18.721 1.00 0.00 H ATOM 1124 N TYR A 76 20.314 -4.933 19.972 1.00 12.67 N ATOM 1125 CA TYR A 76 19.491 -6.071 20.406 1.00 14.28 C ATOM 1126 C TYR A 76 19.076 -6.902 19.207 1.00 15.14 C ATOM 1127 O TYR A 76 19.054 -8.123 19.268 1.00 16.69 O ATOM 1128 CB TYR A 76 18.253 -5.609 21.165 1.00 14.10 C ATOM 1129 CG TYR A 76 18.596 -5.078 22.527 1.00 13.00 C ATOM 1130 CD1 TYR A 76 19.199 -5.883 23.478 1.00 12.26 C ATOM 1131 CD2 TYR A 76 18.323 -3.793 22.858 1.00 13.57 C ATOM 1132 CE1 TYR A 76 19.515 -5.390 24.737 1.00 12.06 C ATOM 1133 CE2 TYR A 76 18.629 -3.301 24.088 1.00 12.22 C ATOM 1134 CZ TYR A 76 19.248 -4.099 25.033 1.00 12.17 C ATOM 1135 OH TYR A 76 19.555 -3.600 26.270 1.00 12.63 O ATOM 1136 HA TYR A 76 20.095 -6.678 21.080 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.573 -6.453 21.277 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.762 -4.822 20.593 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.849 -3.141 22.124 1.00 0.00 H ATOM 1140 HE2 TYR A 76 18.384 -2.267 24.332 1.00 0.00 H ATOM 1141 HE1 TYR A 76 19.975 -6.040 25.481 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.429 -6.920 23.235 1.00 0.00 H ATOM 1143 HH TYR A 76 19.990 -4.306 26.811 1.00 0.00 H ATOM 1144 H TYR A 76 19.936 -3.967 20.046 1.00 0.00 H ATOM 1145 N SER A 77 18.778 -6.220 18.107 1.00 15.88 N ATOM 1146 CA SER A 77 18.381 -6.877 16.862 1.00 16.98 C ATOM 1147 C SER A 77 19.580 -7.035 15.940 1.00 16.63 C ATOM 1148 O SER A 77 20.564 -6.295 16.025 1.00 16.45 O ATOM 1149 CB SER A 77 17.339 -6.048 16.132 1.00 18.02 C ATOM 1150 OG SER A 77 16.168 -5.910 16.909 1.00 20.11 O ATOM 1151 HA SER A 77 17.972 -7.854 17.120 1.00 0.00 H ATOM 1152 HB2 SER A 77 17.088 -6.538 15.192 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.749 -5.059 15.926 1.00 0.00 H ATOM 1154 HG SER A 77 15.506 -5.367 16.412 1.00 0.00 H ATOM 1155 H SER A 77 18.829 -5.182 18.132 1.00 0.00 H ATOM 1156 N THR A 78 19.527 -8.025 15.062 1.00 16.75 N ATOM 1157 CA THR A 78 20.568 -8.140 14.043 1.00 17.04 C ATOM 1158 C THR A 78 20.308 -7.082 12.999 1.00 15.97 C ATOM 1159 O THR A 78 19.193 -6.622 12.840 1.00 16.92 O ATOM 1160 CB THR A 78 20.612 -9.520 13.373 1.00 18.79 C ATOM 1161 OG1 THR A 78 19.382 -9.772 12.682 1.00 21.35 O ATOM 1162 CG2 THR A 78 20.725 -10.617 14.391 1.00 20.68 C ATOM 1163 HA THR A 78 21.534 -8.005 14.530 1.00 0.00 H ATOM 1164 HB THR A 78 21.472 -9.512 12.703 1.00 0.00 H ATOM 1165 HG1 THR A 78 18.631 -9.747 13.327 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.646 -10.489 14.960 1.00 0.00 H ATOM 1167 HG21 THR A 78 19.870 -10.574 15.066 1.00 0.00 H ATOM 1168 HG22 THR A 78 20.741 -11.582 13.884 1.00 0.00 H ATOM 1169 H THR A 78 18.750 -8.716 15.097 1.00 0.00 H ATOM 1170 N MET A 79 21.379 -6.690 12.326 1.00 15.01 N ATOM 1171 CA MET A 79 21.323 -5.667 11.297 1.00 14.68 C ATOM 1172 C MET A 79 22.009 -6.133 10.032 1.00 14.59 C ATOM 1173 O MET A 79 22.923 -6.950 10.084 1.00 14.80 O ATOM 1174 CB MET A 79 21.991 -4.372 11.776 1.00 14.23 C ATOM 1175 CG MET A 79 21.237 -3.742 12.905 1.00 14.59 C ATOM 1176 SD MET A 79 21.955 -2.139 13.300 1.00 15.62 S ATOM 1177 CE MET A 79 20.685 -1.532 14.379 1.00 15.80 C ATOM 1178 HA MET A 79 20.271 -5.476 11.088 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.003 -4.600 12.111 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.034 -3.669 10.944 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.290 -4.388 13.781 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.195 -3.610 12.615 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.741 -1.484 13.836 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.582 -2.204 15.231 1.00 0.00 H ATOM 1185 HE3 MET A 79 20.954 -0.536 14.731 1.00 0.00 H ATOM 1186 H MET A 79 22.295 -7.132 12.543 1.00 0.00 H ATOM 1187 N SER A 80 21.517 -5.633 8.893 1.00 14.26 N ATOM 1188 CA SER A 80 22.140 -5.850 7.590 1.00 14.48 C ATOM 1189 C SER A 80 23.444 -5.044 7.533 1.00 13.72 C ATOM 1190 O SER A 80 23.430 -3.838 7.651 1.00 14.57 O ATOM 1191 CB SER A 80 21.188 -5.423 6.460 1.00 14.74 C ATOM 1192 OG SER A 80 21.816 -5.501 5.194 1.00 17.01 O ATOM 1193 HA SER A 80 22.358 -6.910 7.456 1.00 0.00 H ATOM 1194 HB2 SER A 80 20.869 -4.395 6.635 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.317 -6.078 6.464 1.00 0.00 H ATOM 1196 HG SER A 80 21.177 -5.220 4.492 1.00 0.00 H ATOM 1197 H SER A 80 20.649 -5.062 8.937 1.00 0.00 H ATOM 1198 N ILE A 81 24.535 -5.751 7.279 1.00 13.77 N ATOM 1199 CA ILE A 81 25.861 -5.117 7.208 1.00 14.23 C ATOM 1200 C ILE A 81 26.678 -5.685 6.052 1.00 14.43 C ATOM 1201 O ILE A 81 26.402 -6.772 5.545 1.00 15.68 O ATOM 1202 CB ILE A 81 26.663 -5.274 8.522 1.00 14.33 C ATOM 1203 CG1 ILE A 81 27.029 -6.722 8.772 1.00 16.03 C ATOM 1204 CG2 ILE A 81 25.869 -4.748 9.703 1.00 15.00 C ATOM 1205 CD1 ILE A 81 27.951 -6.913 9.930 1.00 17.29 C ATOM 1206 HA ILE A 81 25.682 -4.054 7.044 1.00 0.00 H ATOM 1207 HB ILE A 81 27.579 -4.692 8.414 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.113 -7.281 8.964 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.512 -7.115 7.878 1.00 0.00 H ATOM 1210 HD11 ILE A 81 28.878 -6.369 9.749 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.477 -6.535 10.836 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.169 -7.974 10.048 1.00 0.00 H ATOM 1213 HG21 ILE A 81 25.648 -3.692 9.549 1.00 0.00 H ATOM 1214 HG22 ILE A 81 24.937 -5.306 9.790 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.453 -4.869 10.615 1.00 0.00 H ATOM 1216 H ILE A 81 24.453 -6.776 7.126 1.00 0.00 H ATOM 1217 N THR A 82 27.732 -4.962 5.685 1.00 13.79 N ATOM 1218 CA THR A 82 28.705 -5.449 4.707 1.00 14.20 C ATOM 1219 C THR A 82 30.098 -5.188 5.269 1.00 13.88 C ATOM 1220 O THR A 82 30.448 -4.067 5.605 1.00 13.27 O ATOM 1221 CB THR A 82 28.559 -4.725 3.364 1.00 14.54 C ATOM 1222 OG1 THR A 82 27.238 -4.933 2.834 1.00 15.79 O ATOM 1223 CG2 THR A 82 29.545 -5.274 2.302 1.00 15.18 C ATOM 1224 HA THR A 82 28.538 -6.512 4.532 1.00 0.00 H ATOM 1225 HB THR A 82 28.762 -3.671 3.557 1.00 0.00 H ATOM 1226 HG1 THR A 82 27.153 -4.462 1.967 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.568 -5.141 2.654 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.350 -6.334 2.141 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.408 -4.732 1.366 1.00 0.00 H ATOM 1230 H THR A 82 27.869 -4.021 6.106 1.00 0.00 H ATOM 1231 N ASP A 83 30.885 -6.238 5.386 1.00 12.92 N ATOM 1232 CA ASP A 83 32.267 -6.138 5.806 1.00 14.79 C ATOM 1233 C ASP A 83 33.183 -6.034 4.606 1.00 13.66 C ATOM 1234 O ASP A 83 32.987 -6.744 3.602 1.00 14.85 O ATOM 1235 CB ASP A 83 32.638 -7.367 6.602 1.00 16.92 C ATOM 1236 CG ASP A 83 31.860 -7.467 7.870 1.00 20.60 C ATOM 1237 OD1 ASP A 83 31.902 -6.534 8.699 1.00 22.98 O ATOM 1238 OD2 ASP A 83 31.143 -8.450 8.113 1.00 26.03 O ATOM 1239 HA ASP A 83 32.381 -5.243 6.418 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.440 -8.252 5.997 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.700 -7.323 6.843 1.00 0.00 H ATOM 1242 H ASP A 83 30.497 -7.178 5.168 1.00 0.00 H ATOM 1243 N CYS A 84 34.155 -5.131 4.694 1.00 13.72 N ATOM 1244 CA CYS A 84 35.121 -4.911 3.637 1.00 14.38 C ATOM 1245 C CYS A 84 36.493 -5.230 4.212 1.00 14.95 C ATOM 1246 O CYS A 84 36.869 -4.673 5.258 1.00 16.61 O ATOM 1247 CB CYS A 84 35.088 -3.454 3.205 1.00 14.09 C ATOM 1248 SG CYS A 84 33.495 -2.970 2.471 1.00 15.52 S ATOM 1249 HA CYS A 84 34.897 -5.537 2.773 1.00 0.00 H ATOM 1250 HB2 CYS A 84 35.875 -3.291 2.468 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.274 -2.828 4.078 1.00 0.00 H ATOM 1252 H CYS A 84 34.225 -4.558 5.559 1.00 0.00 H ATOM 1253 N ARG A 85 37.247 -6.114 3.564 1.00 16.03 N ATOM 1254 CA ARG A 85 38.538 -6.522 4.103 1.00 17.97 C ATOM 1255 C ARG A 85 39.555 -6.553 2.977 1.00 18.51 C ATOM 1256 O ARG A 85 39.355 -7.236 1.972 1.00 18.07 O ATOM 1257 CB ARG A 85 38.404 -7.882 4.740 1.00 19.65 C ATOM 1258 CG ARG A 85 39.649 -8.370 5.350 1.00 23.27 C ATOM 1259 CD ARG A 85 39.474 -9.640 6.088 1.00 27.68 C ATOM 1260 NE ARG A 85 39.845 -9.252 7.421 1.00 31.15 N ATOM 1261 CZ ARG A 85 39.052 -9.028 8.430 1.00 33.30 C ATOM 1262 NH1 ARG A 85 39.620 -8.629 9.540 1.00 34.71 N ATOM 1263 NH2 ARG A 85 37.747 -9.211 8.381 1.00 34.85 N ATOM 1264 HA ARG A 85 38.873 -5.815 4.862 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.639 -7.827 5.514 1.00 0.00 H ATOM 1266 HB3 ARG A 85 38.093 -8.593 3.974 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.385 -8.525 4.561 1.00 0.00 H ATOM 1268 HG3 ARG A 85 40.016 -7.613 6.043 1.00 0.00 H ATOM 1269 HD2 ARG A 85 40.132 -10.419 5.702 1.00 0.00 H ATOM 1270 HD3 ARG A 85 38.441 -9.986 6.047 1.00 0.00 H ATOM 1271 HE ARG A 85 40.863 -9.137 7.601 1.00 0.00 H ATOM 1272 HH12 ARG A 85 39.039 -8.434 10.380 1.00 0.00 H ATOM 1273 HH11 ARG A 85 40.652 -8.507 9.581 1.00 0.00 H ATOM 1274 HH22 ARG A 85 37.163 -9.016 9.219 1.00 0.00 H ATOM 1275 HH21 ARG A 85 37.302 -9.551 7.505 1.00 0.00 H ATOM 1276 H ARG A 85 36.912 -6.517 2.666 1.00 0.00 H ATOM 1277 N GLU A 86 40.594 -5.731 3.102 1.00 19.41 N ATOM 1278 CA GLU A 86 41.582 -5.574 2.037 1.00 20.79 C ATOM 1279 C GLU A 86 42.142 -6.927 1.592 1.00 21.51 C ATOM 1280 O GLU A 86 42.440 -7.770 2.421 1.00 22.22 O ATOM 1281 CB GLU A 86 42.705 -4.631 2.492 1.00 21.89 C ATOM 1282 CG GLU A 86 43.864 -4.549 1.524 1.00 23.52 C ATOM 1283 CD GLU A 86 44.894 -3.505 1.912 1.00 25.45 C ATOM 1284 OE1 GLU A 86 45.219 -3.404 3.114 1.00 28.31 O ATOM 1285 OE2 GLU A 86 45.355 -2.796 1.003 1.00 26.19 O ATOM 1286 HA GLU A 86 41.087 -5.130 1.173 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.287 -3.632 2.613 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.083 -4.984 3.452 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.354 -5.522 1.486 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.474 -4.301 0.537 1.00 0.00 H ATOM 1291 H GLU A 86 40.706 -5.186 3.981 1.00 0.00 H ATOM 1292 N THR A 87 42.246 -7.150 0.282 1.00 22.18 N ATOM 1293 CA THR A 87 42.770 -8.432 -0.218 1.00 23.21 C ATOM 1294 C THR A 87 44.273 -8.529 0.012 1.00 24.57 C ATOM 1295 O THR A 87 44.954 -7.515 0.158 1.00 24.52 O ATOM 1296 CB THR A 87 42.486 -8.626 -1.720 1.00 23.08 C ATOM 1297 OG1 THR A 87 43.148 -7.607 -2.477 1.00 23.48 O ATOM 1298 CG2 THR A 87 41.000 -8.462 -2.037 1.00 23.07 C ATOM 1299 HA THR A 87 42.257 -9.216 0.339 1.00 0.00 H ATOM 1300 HB THR A 87 42.831 -9.628 -1.973 1.00 0.00 H ATOM 1301 HG1 THR A 87 42.961 -7.739 -3.440 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.428 -9.212 -1.490 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.674 -7.466 -1.738 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.842 -8.592 -3.108 1.00 0.00 H ATOM 1305 H THR A 87 41.955 -6.413 -0.392 1.00 0.00 H ATOM 1306 N GLY A 88 44.786 -9.755 0.031 1.00 26.08 N ATOM 1307 CA GLY A 88 46.207 -9.971 0.240 1.00 27.01 C ATOM 1308 C GLY A 88 47.094 -9.318 -0.812 1.00 27.63 C ATOM 1309 O GLY A 88 48.247 -8.979 -0.522 1.00 28.50 O ATOM 1310 HA3 GLY A 88 46.396 -11.044 0.230 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.476 -9.565 1.215 1.00 0.00 H ATOM 1312 H GLY A 88 44.159 -10.574 -0.106 1.00 0.00 H ATOM 1313 N SER A 89 46.565 -9.119 -2.018 1.00 28.17 N ATOM 1314 CA SER A 89 47.325 -8.542 -3.126 1.00 28.80 C ATOM 1315 C SER A 89 46.956 -7.079 -3.413 1.00 28.60 C ATOM 1316 O SER A 89 47.359 -6.517 -4.435 1.00 29.03 O ATOM 1317 CB SER A 89 47.118 -9.393 -4.384 1.00 29.29 C ATOM 1318 OG SER A 89 45.748 -9.443 -4.751 1.00 30.56 O ATOM 1319 HA SER A 89 48.375 -8.545 -2.833 1.00 0.00 H ATOM 1320 HB2 SER A 89 47.472 -10.406 -4.191 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.690 -8.960 -5.204 1.00 0.00 H ATOM 1322 HG SER A 89 45.224 -9.840 -4.011 1.00 0.00 H ATOM 1323 H SER A 89 45.572 -9.384 -2.178 1.00 0.00 H ATOM 1324 N SER A 90 46.189 -6.464 -2.516 1.00 28.11 N ATOM 1325 CA SER A 90 45.783 -5.074 -2.685 1.00 27.67 C ATOM 1326 C SER A 90 47.000 -4.169 -2.609 1.00 27.79 C ATOM 1327 O SER A 90 47.756 -4.265 -1.659 1.00 27.08 O ATOM 1328 CB SER A 90 44.792 -4.684 -1.591 1.00 27.18 C ATOM 1329 OG SER A 90 44.503 -3.296 -1.625 1.00 26.89 O ATOM 1330 HA SER A 90 45.307 -4.961 -3.659 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.219 -4.934 -0.620 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.867 -5.243 -1.734 1.00 0.00 H ATOM 1333 HG SER A 90 43.860 -3.076 -0.905 1.00 0.00 H ATOM 1334 H SER A 90 45.872 -6.987 -1.675 1.00 0.00 H ATOM 1335 N LYS A 91 47.163 -3.288 -3.596 1.00 28.25 N ATOM 1336 CA LYS A 91 48.307 -2.380 -3.635 1.00 28.98 C ATOM 1337 C LYS A 91 47.903 -0.918 -3.822 1.00 28.92 C ATOM 1338 O LYS A 91 47.492 -0.509 -4.906 1.00 29.33 O ATOM 1339 CB LYS A 91 49.281 -2.807 -4.737 1.00 29.29 C ATOM 1340 CG LYS A 91 49.848 -4.218 -4.540 1.00 30.26 C ATOM 1341 CD LYS A 91 51.028 -4.255 -3.583 1.00 31.08 C ATOM 1342 CE LYS A 91 50.621 -4.033 -2.155 1.00 31.91 C ATOM 1343 NZ LYS A 91 51.773 -4.118 -1.246 1.00 32.89 N ATOM 1344 HA LYS A 91 48.797 -2.447 -2.664 1.00 0.00 H ATOM 1345 HB2 LYS A 91 48.757 -2.776 -5.692 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.111 -2.101 -4.757 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.059 -4.858 -4.144 1.00 0.00 H ATOM 1348 HG3 LYS A 91 50.173 -4.600 -5.508 1.00 0.00 H ATOM 1349 HD2 LYS A 91 51.511 -5.229 -3.661 1.00 0.00 H ATOM 1350 HD3 LYS A 91 51.735 -3.476 -3.870 1.00 0.00 H ATOM 1351 HE2 LYS A 91 49.890 -4.791 -1.873 1.00 0.00 H ATOM 1352 HE3 LYS A 91 50.170 -3.045 -2.065 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 52.205 -5.061 -1.323 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 52.472 -3.393 -1.506 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 51.454 -3.960 -0.269 1.00 0.00 H ATOM 1356 H LYS A 91 46.457 -3.246 -4.359 1.00 0.00 H ATOM 1357 N TYR A 92 48.031 -0.141 -2.752 1.00 29.39 N ATOM 1358 CA TYR A 92 47.728 1.283 -2.796 1.00 29.89 C ATOM 1359 C TYR A 92 48.511 1.897 -3.944 1.00 30.07 C ATOM 1360 O TYR A 92 49.659 1.510 -4.159 1.00 30.08 O ATOM 1361 CB TYR A 92 48.148 1.944 -1.483 1.00 29.77 C ATOM 1362 CG TYR A 92 47.944 3.442 -1.452 1.00 30.08 C ATOM 1363 CD1 TYR A 92 46.675 3.986 -1.294 1.00 30.34 C ATOM 1364 CD2 TYR A 92 49.020 4.314 -1.583 1.00 30.81 C ATOM 1365 CE1 TYR A 92 46.479 5.356 -1.270 1.00 30.62 C ATOM 1366 CE2 TYR A 92 48.835 5.684 -1.554 1.00 30.94 C ATOM 1367 CZ TYR A 92 47.565 6.200 -1.401 1.00 31.25 C ATOM 1368 OH TYR A 92 47.381 7.565 -1.376 1.00 32.38 O ATOM 1369 HA TYR A 92 46.658 1.434 -2.939 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.206 1.739 -1.320 1.00 0.00 H ATOM 1371 HB2 TYR A 92 47.565 1.502 -0.675 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.025 3.911 -1.711 1.00 0.00 H ATOM 1373 HE2 TYR A 92 49.689 6.354 -1.652 1.00 0.00 H ATOM 1374 HE1 TYR A 92 45.476 5.766 -1.149 1.00 0.00 H ATOM 1375 HD1 TYR A 92 45.818 3.321 -1.187 1.00 0.00 H ATOM 1376 HH TYR A 92 46.418 7.765 -1.260 1.00 0.00 H ATOM 1377 H TYR A 92 48.357 -0.561 -1.858 1.00 0.00 H ATOM 1378 N PRO A 93 47.931 2.841 -4.682 1.00 30.56 N ATOM 1379 CA PRO A 93 46.564 3.343 -4.482 1.00 30.81 C ATOM 1380 C PRO A 93 45.457 2.448 -5.022 1.00 30.92 C ATOM 1381 O PRO A 93 44.285 2.787 -4.855 1.00 31.46 O ATOM 1382 CB PRO A 93 46.592 4.653 -5.269 1.00 30.94 C ATOM 1383 CG PRO A 93 47.453 4.309 -6.431 1.00 30.99 C ATOM 1384 CD PRO A 93 48.599 3.564 -5.780 1.00 30.66 C ATOM 1385 HA PRO A 93 46.330 3.419 -3.420 1.00 0.00 H ATOM 1386 HD3 PRO A 93 49.067 2.872 -6.480 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.350 4.254 -5.397 1.00 0.00 H ATOM 1388 HG3 PRO A 93 47.805 5.206 -6.940 1.00 0.00 H ATOM 1389 HG2 PRO A 93 46.922 3.674 -7.141 1.00 0.00 H ATOM 1390 HB2 PRO A 93 45.591 4.941 -5.591 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.029 5.459 -4.679 1.00 0.00 H ATOM 1392 N ASN A 94 45.814 1.335 -5.656 1.00 30.73 N ATOM 1393 CA ASN A 94 44.828 0.390 -6.160 1.00 30.53 C ATOM 1394 C ASN A 94 44.323 -0.484 -5.015 1.00 29.43 C ATOM 1395 O ASN A 94 44.682 -1.659 -4.898 1.00 29.23 O ATOM 1396 CB ASN A 94 45.428 -0.486 -7.261 1.00 30.89 C ATOM 1397 CG ASN A 94 45.822 0.305 -8.493 1.00 32.59 C ATOM 1398 OD1 ASN A 94 46.697 1.165 -8.435 1.00 35.02 O ATOM 1399 ND2 ASN A 94 45.189 0.002 -9.622 1.00 33.71 N ATOM 1400 HA ASN A 94 43.995 0.950 -6.585 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.315 -0.982 -6.867 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.692 -1.236 -7.549 1.00 0.00 H ATOM 1403 HD22 ASN A 94 44.454 -0.734 -9.625 1.00 0.00 H ATOM 1404 HD21 ASN A 94 45.429 0.501 -10.503 1.00 0.00 H ATOM 1405 H ASN A 94 46.825 1.134 -5.796 1.00 0.00 H ATOM 1406 N CYS A 95 43.500 0.108 -4.161 1.00 28.26 N ATOM 1407 CA CYS A 95 42.952 -0.598 -3.019 1.00 26.91 C ATOM 1408 C CYS A 95 41.911 -1.613 -3.445 1.00 25.53 C ATOM 1409 O CYS A 95 40.955 -1.273 -4.130 1.00 26.50 O ATOM 1410 CB CYS A 95 42.341 0.408 -2.056 1.00 26.78 C ATOM 1411 SG CYS A 95 43.566 1.592 -1.497 1.00 26.28 S ATOM 1412 HA CYS A 95 43.758 -1.140 -2.525 1.00 0.00 H ATOM 1413 HB2 CYS A 95 41.939 -0.123 -1.193 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.535 0.941 -2.561 1.00 0.00 H ATOM 1415 H CYS A 95 43.241 1.104 -4.314 1.00 0.00 H ATOM 1416 N ALA A 96 42.118 -2.859 -3.034 1.00 23.35 N ATOM 1417 CA ALA A 96 41.216 -3.950 -3.377 1.00 22.09 C ATOM 1418 C ALA A 96 40.693 -4.615 -2.121 1.00 20.56 C ATOM 1419 O ALA A 96 41.447 -4.830 -1.174 1.00 20.12 O ATOM 1420 CB ALA A 96 41.931 -4.967 -4.247 1.00 22.26 C ATOM 1421 HA ALA A 96 40.372 -3.542 -3.934 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.272 -4.484 -5.163 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.788 -5.368 -3.705 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.245 -5.777 -4.496 1.00 0.00 H ATOM 1425 H ALA A 96 42.952 -3.062 -2.447 1.00 0.00 H ATOM 1426 N TYR A 97 39.401 -4.959 -2.150 1.00 18.63 N ATOM 1427 CA TYR A 97 38.696 -5.520 -0.997 1.00 17.18 C ATOM 1428 C TYR A 97 37.790 -6.708 -1.335 1.00 16.80 C ATOM 1429 O TYR A 97 37.193 -6.805 -2.419 1.00 17.33 O ATOM 1430 CB TYR A 97 37.794 -4.454 -0.355 1.00 16.80 C ATOM 1431 CG TYR A 97 38.565 -3.311 0.232 1.00 16.27 C ATOM 1432 CD1 TYR A 97 38.961 -2.244 -0.549 1.00 17.49 C ATOM 1433 CD2 TYR A 97 38.915 -3.322 1.564 1.00 15.85 C ATOM 1434 CE1 TYR A 97 39.680 -1.210 -0.017 1.00 17.77 C ATOM 1435 CE2 TYR A 97 39.650 -2.285 2.107 1.00 16.59 C ATOM 1436 CZ TYR A 97 40.029 -1.235 1.302 1.00 17.37 C ATOM 1437 OH TYR A 97 40.748 -0.173 1.816 1.00 19.58 O ATOM 1438 HA TYR A 97 39.485 -5.862 -0.327 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.211 -4.923 0.437 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.120 -4.064 -1.118 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.610 -4.156 2.196 1.00 0.00 H ATOM 1442 HE2 TYR A 97 39.926 -2.299 3.161 1.00 0.00 H ATOM 1443 HE1 TYR A 97 39.974 -0.368 -0.644 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.696 -2.226 -1.606 1.00 0.00 H ATOM 1445 HH TYR A 97 41.605 -0.504 2.185 1.00 0.00 H ATOM 1446 H TYR A 97 38.872 -4.821 -3.035 1.00 0.00 H ATOM 1447 N LYS A 98 37.649 -7.580 -0.358 1.00 17.09 N ATOM 1448 CA LYS A 98 36.652 -8.629 -0.402 1.00 17.23 C ATOM 1449 C LYS A 98 35.385 -8.117 0.298 1.00 16.43 C ATOM 1450 O LYS A 98 35.475 -7.558 1.413 1.00 16.87 O ATOM 1451 CB LYS A 98 37.146 -9.868 0.320 1.00 18.37 C ATOM 1452 CG LYS A 98 36.145 -11.005 0.365 1.00 21.18 C ATOM 1453 CD LYS A 98 36.748 -12.224 1.002 1.00 25.30 C ATOM 1454 CE LYS A 98 36.958 -12.034 2.486 1.00 27.45 C ATOM 1455 NZ LYS A 98 37.383 -13.295 3.144 1.00 28.48 N ATOM 1456 HA LYS A 98 36.448 -8.889 -1.441 1.00 0.00 H ATOM 1457 HB2 LYS A 98 38.044 -10.223 -0.186 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.394 -9.590 1.345 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.275 -10.693 0.943 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.835 -11.249 -0.651 1.00 0.00 H ATOM 1461 HD2 LYS A 98 36.081 -13.071 0.845 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.710 -12.429 0.532 1.00 0.00 H ATOM 1463 HE2 LYS A 98 36.024 -11.698 2.936 1.00 0.00 H ATOM 1464 HE3 LYS A 98 37.727 -11.277 2.641 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 36.651 -14.021 3.006 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 38.278 -13.619 2.724 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 37.517 -13.126 4.161 1.00 0.00 H ATOM 1468 H LYS A 98 38.273 -7.513 0.471 1.00 0.00 H ATOM 1469 N THR A 99 34.233 -8.296 -0.348 1.00 15.30 N ATOM 1470 CA THR A 99 32.929 -7.867 0.161 1.00 15.43 C ATOM 1471 C THR A 99 32.187 -9.043 0.749 1.00 15.51 C ATOM 1472 O THR A 99 32.026 -10.063 0.076 1.00 17.36 O ATOM 1473 CB THR A 99 32.097 -7.324 -1.013 1.00 16.15 C ATOM 1474 OG1 THR A 99 32.681 -6.112 -1.519 1.00 17.04 O ATOM 1475 CG2 THR A 99 30.685 -6.949 -0.574 1.00 16.50 C ATOM 1476 HA THR A 99 33.079 -7.105 0.926 1.00 0.00 H ATOM 1477 HB THR A 99 32.074 -8.114 -1.764 1.00 0.00 H ATOM 1478 HG1 THR A 99 32.706 -5.433 -0.799 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.183 -7.831 -0.177 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.738 -6.181 0.198 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.129 -6.568 -1.430 1.00 0.00 H ATOM 1482 H THR A 99 34.262 -8.771 -1.273 1.00 0.00 H ATOM 1483 N THR A 100 31.740 -8.920 2.000 1.00 15.66 N ATOM 1484 CA THR A 100 30.956 -9.978 2.619 1.00 16.67 C ATOM 1485 C THR A 100 29.750 -9.408 3.352 1.00 16.81 C ATOM 1486 O THR A 100 29.879 -8.752 4.401 1.00 16.89 O ATOM 1487 CB THR A 100 31.796 -10.740 3.635 1.00 16.87 C ATOM 1488 OG1 THR A 100 32.994 -11.242 3.037 1.00 18.08 O ATOM 1489 CG2 THR A 100 31.040 -11.952 4.168 1.00 18.52 C ATOM 1490 HA THR A 100 30.627 -10.642 1.820 1.00 0.00 H ATOM 1491 HB THR A 100 32.024 -10.037 4.436 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.528 -10.486 2.686 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.113 -11.623 4.637 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.812 -12.628 3.344 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.657 -12.469 4.903 1.00 0.00 H ATOM 1496 H THR A 100 31.955 -8.057 2.539 1.00 0.00 H ATOM 1497 N GLN A 101 28.575 -9.696 2.826 1.00 17.25 N ATOM 1498 CA GLN A 101 27.318 -9.300 3.420 1.00 17.80 C ATOM 1499 C GLN A 101 26.962 -10.237 4.553 1.00 18.03 C ATOM 1500 O GLN A 101 27.262 -11.434 4.509 1.00 18.80 O ATOM 1501 CB GLN A 101 26.216 -9.365 2.357 1.00 18.78 C ATOM 1502 CG GLN A 101 25.653 -8.029 2.010 1.00 23.74 C ATOM 1503 CD GLN A 101 24.926 -7.417 3.182 1.00 26.28 C ATOM 1504 OE1 GLN A 101 24.162 -8.096 3.885 1.00 28.73 O ATOM 1505 NE2 GLN A 101 25.167 -6.141 3.417 1.00 30.43 N ATOM 1506 HA GLN A 101 27.410 -8.285 3.806 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.632 -9.811 1.454 1.00 0.00 H ATOM 1508 HB3 GLN A 101 25.409 -9.994 2.733 1.00 0.00 H ATOM 1509 HG2 GLN A 101 26.466 -7.367 1.712 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.956 -8.142 1.180 1.00 0.00 H ATOM 1511 HE22 GLN A 101 25.816 -5.612 2.800 1.00 0.00 H ATOM 1512 HE21 GLN A 101 24.708 -5.664 4.219 1.00 0.00 H ATOM 1513 H GLN A 101 28.552 -10.236 1.938 1.00 0.00 H ATOM 1514 N ALA A 102 26.333 -9.684 5.585 1.00 18.08 N ATOM 1515 CA ALA A 102 25.882 -10.479 6.705 1.00 18.47 C ATOM 1516 C ALA A 102 24.768 -9.781 7.476 1.00 17.35 C ATOM 1517 O ALA A 102 24.458 -8.645 7.227 1.00 17.22 O ATOM 1518 CB ALA A 102 27.039 -10.774 7.618 1.00 19.31 C ATOM 1519 HA ALA A 102 25.478 -11.413 6.315 1.00 0.00 H ATOM 1520 HB1 ALA A 102 27.803 -11.324 7.069 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.458 -9.837 7.985 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.692 -11.373 8.460 1.00 0.00 H ATOM 1523 H ALA A 102 26.162 -8.658 5.587 1.00 0.00 H ATOM 1524 N ASN A 103 24.135 -10.544 8.366 1.00 17.51 N ATOM 1525 CA ASN A 103 23.114 -10.051 9.284 1.00 17.52 C ATOM 1526 C ASN A 103 23.578 -10.427 10.685 1.00 16.72 C ATOM 1527 O ASN A 103 23.527 -11.593 11.084 1.00 18.44 O ATOM 1528 CB ASN A 103 21.744 -10.647 8.971 1.00 18.42 C ATOM 1529 CG ASN A 103 21.169 -10.118 7.672 1.00 19.73 C ATOM 1530 OD1 ASN A 103 20.695 -8.982 7.596 1.00 22.03 O ATOM 1531 ND2 ASN A 103 21.182 -10.951 6.645 1.00 23.56 N ATOM 1532 HA ASN A 103 22.996 -8.972 9.189 1.00 0.00 H ATOM 1533 HB2 ASN A 103 21.842 -11.730 8.896 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.060 -10.400 9.783 1.00 0.00 H ATOM 1535 HD22 ASN A 103 21.592 -11.901 6.751 1.00 0.00 H ATOM 1536 HD21 ASN A 103 20.783 -10.656 5.731 1.00 0.00 H ATOM 1537 H ASN A 103 24.384 -11.553 8.409 1.00 0.00 H ATOM 1538 N LYS A 104 24.110 -9.427 11.386 1.00 15.45 N ATOM 1539 CA LYS A 104 24.710 -9.600 12.698 1.00 15.45 C ATOM 1540 C LYS A 104 24.370 -8.432 13.605 1.00 13.73 C ATOM 1541 O LYS A 104 23.927 -7.393 13.162 1.00 14.60 O ATOM 1542 CB LYS A 104 26.233 -9.687 12.542 1.00 15.80 C ATOM 1543 CG LYS A 104 26.726 -10.886 11.763 1.00 17.22 C ATOM 1544 CD LYS A 104 28.205 -10.896 11.672 1.00 18.89 C ATOM 1545 CE LYS A 104 28.650 -12.129 10.956 1.00 20.87 C ATOM 1546 NZ LYS A 104 30.117 -12.250 10.945 1.00 22.39 N ATOM 1547 HA LYS A 104 24.319 -10.514 13.145 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.573 -8.787 12.030 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.674 -9.725 13.538 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.394 -11.796 12.263 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.308 -10.853 10.757 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.542 -10.016 11.125 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.631 -10.884 12.675 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.290 -12.091 9.928 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.227 -13.001 11.455 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.528 -11.424 10.464 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.467 -12.293 11.923 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.388 -13.117 10.440 1.00 0.00 H ATOM 1559 H LYS A 104 24.095 -8.473 10.973 1.00 0.00 H ATOM 1560 N HIS A 105 24.591 -8.641 14.905 1.00 14.11 N ATOM 1561 CA HIS A 105 24.472 -7.561 15.882 1.00 13.70 C ATOM 1562 C HIS A 105 25.705 -6.685 15.729 1.00 13.07 C ATOM 1563 O HIS A 105 26.803 -7.201 15.541 1.00 16.20 O ATOM 1564 CB HIS A 105 24.403 -8.128 17.304 1.00 14.29 C ATOM 1565 CG HIS A 105 23.304 -9.127 17.506 1.00 16.95 C ATOM 1566 ND1 HIS A 105 21.986 -8.763 17.689 1.00 18.04 N ATOM 1567 CD2 HIS A 105 23.328 -10.479 17.567 1.00 20.18 C ATOM 1568 CE1 HIS A 105 21.240 -9.846 17.833 1.00 19.21 C ATOM 1569 NE2 HIS A 105 22.032 -10.901 17.770 1.00 20.54 N ATOM 1570 HA HIS A 105 23.561 -6.988 15.711 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.353 -8.613 17.527 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.247 -7.301 17.997 1.00 0.00 H ATOM 1573 HD2 HIS A 105 24.208 -11.115 17.473 1.00 0.00 H ATOM 1574 HE1 HIS A 105 20.160 -9.864 17.978 1.00 0.00 H ATOM 1575 H HIS A 105 24.854 -9.594 15.229 1.00 0.00 H ATOM 1576 N ILE A 106 25.513 -5.387 15.752 1.00 11.94 N ATOM 1577 CA ILE A 106 26.653 -4.481 15.682 1.00 11.27 C ATOM 1578 C ILE A 106 27.019 -3.966 17.068 1.00 10.63 C ATOM 1579 O ILE A 106 26.166 -3.907 17.953 1.00 10.78 O ATOM 1580 CB ILE A 106 26.393 -3.297 14.711 1.00 11.45 C ATOM 1581 CG1 ILE A 106 25.323 -2.339 15.237 1.00 12.47 C ATOM 1582 CG2 ILE A 106 26.087 -3.808 13.320 1.00 12.94 C ATOM 1583 CD1 ILE A 106 25.191 -1.057 14.404 1.00 13.68 C ATOM 1584 HA ILE A 106 27.495 -5.050 15.287 1.00 0.00 H ATOM 1585 HB ILE A 106 27.308 -2.707 14.649 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.363 -2.856 15.231 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.579 -2.062 16.260 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.141 -0.523 14.409 1.00 0.00 H ATOM 1589 HD12 ILE A 106 24.924 -1.317 13.380 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.415 -0.424 14.834 1.00 0.00 H ATOM 1591 HG21 ILE A 106 26.934 -4.388 12.953 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.200 -4.440 13.354 1.00 0.00 H ATOM 1593 HG23 ILE A 106 25.908 -2.963 12.655 1.00 0.00 H ATOM 1594 H ILE A 106 24.548 -5.005 15.820 1.00 0.00 H ATOM 1595 N ILE A 107 28.292 -3.605 17.228 1.00 10.05 N ATOM 1596 CA ILE A 107 28.803 -2.983 18.436 1.00 9.50 C ATOM 1597 C ILE A 107 29.442 -1.681 18.030 1.00 8.99 C ATOM 1598 O ILE A 107 30.397 -1.671 17.253 1.00 9.64 O ATOM 1599 CB ILE A 107 29.797 -3.882 19.211 1.00 10.04 C ATOM 1600 CG1 ILE A 107 29.147 -5.221 19.562 1.00 10.31 C ATOM 1601 CG2 ILE A 107 30.295 -3.158 20.459 1.00 10.19 C ATOM 1602 CD1 ILE A 107 30.103 -6.225 20.168 1.00 11.96 C ATOM 1603 HA ILE A 107 27.979 -2.816 19.130 1.00 0.00 H ATOM 1604 HB ILE A 107 30.658 -4.091 18.576 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.344 -5.037 20.276 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.730 -5.650 18.651 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.907 -6.431 19.462 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.521 -5.817 21.088 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.567 -7.148 20.389 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.798 -2.236 20.166 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.448 -2.922 21.103 1.00 0.00 H ATOM 1612 HG23 ILE A 107 30.993 -3.800 20.996 1.00 0.00 H ATOM 1613 H ILE A 107 28.955 -3.778 16.445 1.00 0.00 H ATOM 1614 N VAL A 108 28.919 -0.586 18.562 1.00 9.43 N ATOM 1615 CA VAL A 108 29.440 0.730 18.276 1.00 9.52 C ATOM 1616 C VAL A 108 29.813 1.428 19.565 1.00 9.64 C ATOM 1617 O VAL A 108 29.244 1.157 20.617 1.00 10.51 O ATOM 1618 CB VAL A 108 28.404 1.590 17.496 1.00 10.38 C ATOM 1619 CG1 VAL A 108 28.118 0.964 16.127 1.00 11.81 C ATOM 1620 CG2 VAL A 108 27.128 1.834 18.314 1.00 11.57 C ATOM 1621 HA VAL A 108 30.326 0.613 17.652 1.00 0.00 H ATOM 1622 HB VAL A 108 28.836 2.576 17.323 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.043 0.911 15.553 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.717 -0.040 16.265 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.392 1.577 15.593 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.665 0.878 18.556 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.383 2.359 19.235 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.434 2.438 17.730 1.00 0.00 H ATOM 1629 H VAL A 108 28.107 -0.677 19.206 1.00 0.00 H ATOM 1630 N ALA A 109 30.750 2.361 19.474 1.00 9.14 N ATOM 1631 CA ALA A 109 31.061 3.232 20.611 1.00 9.72 C ATOM 1632 C ALA A 109 30.409 4.580 20.371 1.00 9.56 C ATOM 1633 O ALA A 109 30.438 5.100 19.247 1.00 9.87 O ATOM 1634 CB ALA A 109 32.564 3.412 20.804 1.00 9.55 C ATOM 1635 HA ALA A 109 30.676 2.768 21.519 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.025 2.441 20.984 1.00 0.00 H ATOM 1637 HB2 ALA A 109 32.993 3.858 19.907 1.00 0.00 H ATOM 1638 HB3 ALA A 109 32.744 4.065 21.658 1.00 0.00 H ATOM 1639 H ALA A 109 31.272 2.477 18.582 1.00 0.00 H ATOM 1640 N CYS A 110 29.870 5.141 21.442 1.00 9.83 N ATOM 1641 CA CYS A 110 29.170 6.411 21.368 1.00 10.27 C ATOM 1642 C CYS A 110 29.804 7.462 22.273 1.00 10.47 C ATOM 1643 O CYS A 110 30.383 7.145 23.321 1.00 10.25 O ATOM 1644 CB CYS A 110 27.721 6.224 21.782 1.00 11.38 C ATOM 1645 SG CYS A 110 26.878 4.952 20.799 1.00 12.36 S ATOM 1646 HA CYS A 110 29.233 6.758 20.337 1.00 0.00 H ATOM 1647 HB2 CYS A 110 27.195 7.170 21.655 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.692 5.932 22.832 1.00 0.00 H ATOM 1649 H CYS A 110 29.950 4.660 22.360 1.00 0.00 H ATOM 1650 N GLU A 111 29.699 8.724 21.856 1.00 10.57 N ATOM 1651 CA GLU A 111 30.221 9.848 22.624 1.00 10.62 C ATOM 1652 C GLU A 111 29.366 11.085 22.338 1.00 11.12 C ATOM 1653 O GLU A 111 28.624 11.147 21.348 1.00 12.01 O ATOM 1654 CB GLU A 111 31.652 10.220 22.214 1.00 11.21 C ATOM 1655 CG GLU A 111 32.696 9.162 22.502 1.00 12.24 C ATOM 1656 CD GLU A 111 34.089 9.695 22.391 1.00 14.15 C ATOM 1657 OE1 GLU A 111 34.694 10.026 23.432 1.00 19.26 O ATOM 1658 OE2 GLU A 111 34.610 9.800 21.273 1.00 16.11 O ATOM 1659 HA GLU A 111 30.204 9.549 23.672 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.656 10.417 21.142 1.00 0.00 H ATOM 1661 HB3 GLU A 111 31.933 11.127 22.750 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.544 8.785 23.513 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.575 8.346 21.790 1.00 0.00 H ATOM 1664 H GLU A 111 29.227 8.914 20.949 1.00 0.00 H ATOM 1665 N GLY A 112 29.528 12.084 23.192 1.00 11.73 N ATOM 1666 CA GLY A 112 28.962 13.403 22.972 1.00 12.82 C ATOM 1667 C GLY A 112 27.588 13.641 23.530 1.00 14.46 C ATOM 1668 O GLY A 112 26.995 12.818 24.214 1.00 13.63 O ATOM 1669 HA3 GLY A 112 28.917 13.570 21.896 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.635 14.132 23.423 1.00 0.00 H ATOM 1671 H GLY A 112 30.083 11.917 24.055 1.00 0.00 H ATOM 1672 N ASN A 113 27.082 14.835 23.220 1.00 16.27 N ATOM 1673 CA ASN A 113 25.724 15.236 23.542 1.00 18.00 C ATOM 1674 C ASN A 113 25.214 16.017 22.328 1.00 17.99 C ATOM 1675 O ASN A 113 25.654 17.163 22.114 1.00 19.80 O ATOM 1676 CB ASN A 113 25.671 16.126 24.769 1.00 18.93 C ATOM 1677 CG ASN A 113 24.285 16.645 25.019 1.00 21.97 C ATOM 1678 OD1 ASN A 113 23.334 15.886 24.971 1.00 23.34 O ATOM 1679 ND2 ASN A 113 24.156 17.954 25.225 1.00 26.52 N ATOM 1680 HA ASN A 113 25.117 14.358 23.762 1.00 0.00 H ATOM 1681 HB2 ASN A 113 25.995 15.552 25.637 1.00 0.00 H ATOM 1682 HB3 ASN A 113 26.344 16.971 24.622 1.00 0.00 H ATOM 1683 HD22 ASN A 113 25.000 18.561 25.258 1.00 0.00 H ATOM 1684 HD21 ASN A 113 23.211 18.370 25.353 1.00 0.00 H ATOM 1685 H ASN A 113 27.692 15.514 22.722 1.00 0.00 H ATOM 1686 N PRO A 114 24.315 15.444 21.531 1.00 19.32 N ATOM 1687 CA PRO A 114 23.698 14.135 21.758 1.00 18.62 C ATOM 1688 C PRO A 114 24.686 12.962 21.725 1.00 16.79 C ATOM 1689 O PRO A 114 25.767 13.049 21.111 1.00 16.77 O ATOM 1690 CB PRO A 114 22.706 14.027 20.591 1.00 19.48 C ATOM 1691 CG PRO A 114 23.332 14.833 19.541 1.00 20.61 C ATOM 1692 CD PRO A 114 23.816 16.032 20.278 1.00 20.31 C ATOM 1693 HA PRO A 114 23.253 14.073 22.751 1.00 0.00 H ATOM 1694 HD3 PRO A 114 24.613 16.537 19.733 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.005 16.735 20.466 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.607 15.110 18.776 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.161 14.297 19.078 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.590 12.991 20.272 1.00 0.00 H ATOM 1699 HB3 PRO A 114 21.733 14.432 20.867 1.00 0.00 H ATOM 1700 N TYR A 115 24.315 11.899 22.422 1.00 14.96 N ATOM 1701 CA TYR A 115 25.156 10.703 22.528 1.00 13.68 C ATOM 1702 C TYR A 115 24.921 9.857 21.297 1.00 13.24 C ATOM 1703 O TYR A 115 23.856 9.270 21.135 1.00 14.72 O ATOM 1704 CB TYR A 115 24.747 9.934 23.762 1.00 14.16 C ATOM 1705 CG TYR A 115 25.716 8.901 24.282 1.00 13.00 C ATOM 1706 CD1 TYR A 115 26.994 9.253 24.649 1.00 12.92 C ATOM 1707 CD2 TYR A 115 25.314 7.587 24.488 1.00 12.96 C ATOM 1708 CE1 TYR A 115 27.864 8.323 25.198 1.00 12.54 C ATOM 1709 CE2 TYR A 115 26.176 6.649 25.049 1.00 12.44 C ATOM 1710 CZ TYR A 115 27.444 7.040 25.410 1.00 12.10 C ATOM 1711 OH TYR A 115 28.300 6.148 26.024 1.00 12.64 O ATOM 1712 HA TYR A 115 26.210 10.970 22.601 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.812 9.422 23.535 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.579 10.658 24.560 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.305 7.285 24.205 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.851 5.620 25.200 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.881 8.615 25.460 1.00 0.00 H ATOM 1718 HD1 TYR A 115 27.329 10.280 24.506 1.00 0.00 H ATOM 1719 HH TYR A 115 27.897 5.837 26.873 1.00 0.00 H ATOM 1720 H TYR A 115 23.397 11.913 22.910 1.00 0.00 H ATOM 1721 N VAL A 116 25.909 9.823 20.400 1.00 12.42 N ATOM 1722 CA VAL A 116 25.737 9.209 19.089 1.00 12.53 C ATOM 1723 C VAL A 116 26.937 8.354 18.716 1.00 11.73 C ATOM 1724 O VAL A 116 27.996 8.482 19.322 1.00 11.17 O ATOM 1725 CB VAL A 116 25.511 10.285 17.986 1.00 14.14 C ATOM 1726 CG1 VAL A 116 24.191 10.976 18.208 1.00 15.47 C ATOM 1727 CG2 VAL A 116 26.649 11.239 17.974 1.00 14.96 C ATOM 1728 HA VAL A 116 24.854 8.573 19.152 1.00 0.00 H ATOM 1729 HB VAL A 116 25.470 9.810 17.006 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.386 10.242 18.166 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.194 11.457 19.186 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.041 11.727 17.432 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.722 11.728 18.946 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.573 10.698 17.767 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.485 11.989 17.200 1.00 0.00 H ATOM 1736 H VAL A 116 26.827 10.246 20.643 1.00 0.00 H ATOM 1737 N PRO A 117 26.780 7.479 17.736 1.00 11.49 N ATOM 1738 CA PRO A 117 27.912 6.625 17.351 1.00 11.37 C ATOM 1739 C PRO A 117 29.068 7.384 16.724 1.00 10.82 C ATOM 1740 O PRO A 117 28.859 8.260 15.869 1.00 11.73 O ATOM 1741 CB PRO A 117 27.301 5.655 16.343 1.00 11.91 C ATOM 1742 CG PRO A 117 25.824 5.718 16.556 1.00 12.59 C ATOM 1743 CD PRO A 117 25.556 7.149 16.980 1.00 12.44 C ATOM 1744 HA PRO A 117 28.353 6.145 18.225 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.435 7.803 16.116 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.670 7.216 17.611 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.518 5.022 17.337 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.292 5.484 15.634 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.551 5.958 15.326 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.667 4.644 16.520 1.00 0.00 H ATOM 1751 N VAL A 118 30.279 7.041 17.145 1.00 10.33 N ATOM 1752 CA VAL A 118 31.481 7.643 16.604 1.00 10.22 C ATOM 1753 C VAL A 118 32.511 6.610 16.145 1.00 9.85 C ATOM 1754 O VAL A 118 33.490 6.971 15.501 1.00 10.41 O ATOM 1755 CB VAL A 118 32.136 8.618 17.594 1.00 10.80 C ATOM 1756 CG1 VAL A 118 31.222 9.793 17.883 1.00 11.75 C ATOM 1757 CG2 VAL A 118 32.576 7.920 18.884 1.00 10.56 C ATOM 1758 HA VAL A 118 31.151 8.200 15.727 1.00 0.00 H ATOM 1759 HB VAL A 118 33.040 9.002 17.121 1.00 0.00 H ATOM 1760 HG11 VAL A 118 31.011 10.325 16.955 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.290 9.429 18.314 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.711 10.467 18.586 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.707 7.475 19.369 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.300 7.140 18.645 1.00 0.00 H ATOM 1765 HG23 VAL A 118 33.033 8.649 19.553 1.00 0.00 H ATOM 1766 H VAL A 118 30.368 6.317 17.887 1.00 0.00 H ATOM 1767 N HIS A 119 32.301 5.333 16.453 1.00 9.60 N ATOM 1768 CA HIS A 119 33.276 4.287 16.145 1.00 9.50 C ATOM 1769 C HIS A 119 32.540 2.978 15.978 1.00 9.64 C ATOM 1770 O HIS A 119 31.617 2.682 16.745 1.00 10.05 O ATOM 1771 CB HIS A 119 34.294 4.172 17.311 1.00 9.88 C ATOM 1772 CG HIS A 119 35.009 2.872 17.399 1.00 9.63 C ATOM 1773 ND1 HIS A 119 36.035 2.524 16.561 1.00 10.36 N ATOM 1774 CD2 HIS A 119 34.888 1.866 18.285 1.00 10.70 C ATOM 1775 CE1 HIS A 119 36.499 1.331 16.904 1.00 10.03 C ATOM 1776 NE2 HIS A 119 35.818 0.915 17.954 1.00 10.92 N ATOM 1777 HA HIS A 119 33.812 4.530 15.228 1.00 0.00 H ATOM 1778 HB2 HIS A 119 35.038 4.959 17.189 1.00 0.00 H ATOM 1779 HB3 HIS A 119 33.755 4.325 18.246 1.00 0.00 H ATOM 1780 HD2 HIS A 119 34.181 1.817 19.113 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.303 0.789 16.406 1.00 0.00 H ATOM 1782 H HIS A 119 31.414 5.070 16.928 1.00 0.00 H ATOM 1783 N PHE A 120 32.929 2.207 14.981 1.00 9.36 N ATOM 1784 CA PHE A 120 32.404 0.871 14.776 1.00 9.61 C ATOM 1785 C PHE A 120 33.389 -0.113 15.415 1.00 9.65 C ATOM 1786 O PHE A 120 34.558 -0.168 15.009 1.00 10.21 O ATOM 1787 CB PHE A 120 32.197 0.577 13.291 1.00 9.62 C ATOM 1788 CG PHE A 120 31.412 -0.693 13.055 1.00 10.74 C ATOM 1789 CD1 PHE A 120 30.036 -0.641 12.870 1.00 11.63 C ATOM 1790 CD2 PHE A 120 32.029 -1.927 13.119 1.00 11.33 C ATOM 1791 CE1 PHE A 120 29.300 -1.786 12.716 1.00 13.40 C ATOM 1792 CE2 PHE A 120 31.277 -3.092 12.947 1.00 12.27 C ATOM 1793 CZ PHE A 120 29.917 -2.997 12.770 1.00 12.81 C ATOM 1794 HA PHE A 120 31.424 0.773 15.242 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.657 1.410 12.842 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.173 0.479 12.815 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.101 -1.992 13.303 1.00 0.00 H ATOM 1798 HE2 PHE A 120 31.764 -4.067 12.953 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.324 -3.906 12.671 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.224 -1.727 12.551 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.534 0.326 12.847 1.00 0.00 H ATOM 1802 H PHE A 120 33.640 2.572 14.316 1.00 0.00 H ATOM 1803 N ASP A 121 32.956 -0.817 16.458 1.00 9.36 N ATOM 1804 CA ASP A 121 33.865 -1.694 17.194 1.00 10.05 C ATOM 1805 C ASP A 121 33.924 -3.121 16.691 1.00 10.44 C ATOM 1806 O ASP A 121 35.015 -3.664 16.619 1.00 11.88 O ATOM 1807 CB ASP A 121 33.518 -1.706 18.690 1.00 9.86 C ATOM 1808 CG ASP A 121 34.718 -1.971 19.581 1.00 10.47 C ATOM 1809 OD1 ASP A 121 35.797 -1.342 19.384 1.00 10.77 O ATOM 1810 OD2 ASP A 121 34.632 -2.784 20.524 1.00 11.45 O ATOM 1811 HA ASP A 121 34.853 -1.266 17.025 1.00 0.00 H ATOM 1812 HB2 ASP A 121 33.096 -0.737 18.956 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.776 -2.484 18.867 1.00 0.00 H ATOM 1814 H ASP A 121 31.961 -0.743 16.752 1.00 0.00 H ATOM 1815 N ALA A 122 32.782 -3.715 16.379 1.00 10.78 N ATOM 1816 CA ALA A 122 32.758 -5.124 16.017 1.00 12.11 C ATOM 1817 C ALA A 122 31.353 -5.499 15.582 1.00 12.17 C ATOM 1818 O ALA A 122 30.396 -4.754 15.786 1.00 11.63 O ATOM 1819 CB ALA A 122 33.150 -5.967 17.212 1.00 13.37 C ATOM 1820 HA ALA A 122 33.462 -5.302 15.204 1.00 0.00 H ATOM 1821 HB1 ALA A 122 34.155 -5.694 17.534 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.446 -5.791 18.026 1.00 0.00 H ATOM 1823 HB3 ALA A 122 33.130 -7.021 16.934 1.00 0.00 H ATOM 1824 H ALA A 122 31.896 -3.170 16.393 1.00 0.00 H ATOM 1825 N SER A 123 31.236 -6.671 14.956 1.00 14.05 N ATOM 1826 CA SER A 123 29.942 -7.288 14.702 1.00 16.54 C ATOM 1827 C SER A 123 29.985 -8.674 15.333 1.00 17.06 C ATOM 1828 O SER A 123 31.023 -9.310 15.332 1.00 17.78 O ATOM 1829 CB SER A 123 29.683 -7.405 13.210 1.00 18.28 C ATOM 1830 OG SER A 123 30.538 -8.359 12.616 1.00 20.66 O ATOM 1831 HA SER A 123 29.140 -6.683 15.125 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.853 -6.435 12.742 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.648 -7.707 13.051 1.00 0.00 H ATOM 1834 HG SER A 123 31.480 -8.087 12.753 1.00 0.00 H ATOM 1835 H SER A 123 32.097 -7.160 14.639 1.00 0.00 H ATOM 1836 N VAL A 124 28.863 -9.145 15.862 1.00 16.92 N ATOM 1837 CA VAL A 124 28.820 -10.461 16.502 1.00 18.06 C ATOM 1838 C VAL A 124 27.569 -11.250 16.137 1.00 18.67 C ATOM 1839 O VAL A 124 26.580 -10.702 15.656 1.00 19.76 O ATOM 1840 CB VAL A 124 28.891 -10.362 18.050 1.00 18.63 C ATOM 1841 CG1 VAL A 124 30.215 -9.791 18.482 1.00 20.11 C ATOM 1842 CG2 VAL A 124 27.747 -9.540 18.608 1.00 18.51 C ATOM 1843 HA VAL A 124 29.698 -10.985 16.125 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.595 -12.467 16.389 1.00 21.30 O ATOM 1845 HB VAL A 124 28.798 -11.371 18.452 1.00 0.00 H ATOM 1846 HG11 VAL A 124 31.020 -10.437 18.131 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.335 -8.794 18.057 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.245 -9.730 19.570 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.790 -8.532 18.195 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.800 -10.005 18.335 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.831 -9.493 19.694 1.00 0.00 H ATOM 1852 H VAL A 124 27.998 -8.569 15.821 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 14.463 -2.569 11.844 1.00 32.38 O HETATM 1855 O HOH 2 15.605 -3.555 10.468 1.00 39.01 O HETATM 1856 O HOH 3 17.676 -2.164 12.896 1.00 25.44 O HETATM 1857 O HOH 4 17.422 -2.326 15.432 1.00 20.68 O HETATM 1858 O HOH 5 17.899 -0.016 16.751 1.00 19.33 O HETATM 1859 O HOH 6 14.528 -5.822 14.764 1.00 35.85 O HETATM 1860 O HOH 7 32.588 4.721 32.893 1.00 33.91 O HETATM 1861 O HOH 8 25.491 0.369 31.506 1.00 22.09 O HETATM 1862 O HOH 9 24.115 1.858 29.679 1.00 32.04 O HETATM 1863 O HOH 10 22.423 1.831 27.264 1.00 27.24 O HETATM 1864 O HOH 11 23.204 4.623 26.935 1.00 29.12 O HETATM 1865 O HOH 12 18.904 -0.959 26.819 1.00 17.96 O HETATM 1866 O HOH 13 22.279 -4.762 29.697 1.00 20.66 O HETATM 1867 O HOH 14 20.241 -5.456 28.174 1.00 12.70 O HETATM 1868 O HOH 15 20.290 -10.277 20.848 1.00 36.85 O HETATM 1869 O HOH 16 22.460 -8.708 21.007 1.00 24.51 O HETATM 1870 O HOH 17 22.686 -10.699 25.218 1.00 40.71 O HETATM 1871 O HOH 18 21.512 -12.260 26.495 1.00 31.22 O HETATM 1872 O HOH 19 34.558 11.260 19.047 1.00 24.61 O HETATM 1873 O HOH 20 34.333 8.320 25.676 1.00 12.86 O HETATM 1874 O HOH 21 37.076 0.899 31.882 1.00 37.39 O HETATM 1875 O HOH 22 24.311 -7.493 29.377 1.00 30.10 O HETATM 1876 O HOH 23 24.997 -5.003 29.679 1.00 21.68 O HETATM 1877 O HOH 24 27.477 -2.038 32.672 1.00 44.55 O HETATM 1878 O HOH 25 30.734 -0.506 31.445 1.00 39.55 O HETATM 1879 O HOH 26 31.578 -1.654 29.460 1.00 19.03 O HETATM 1880 O HOH 27 29.664 -3.709 29.763 1.00 26.16 O HETATM 1881 O HOH 28 30.786 -6.303 28.932 1.00 18.34 O HETATM 1882 O HOH 29 32.333 -6.928 24.849 1.00 12.85 O HETATM 1883 O HOH 30 33.270 -4.816 21.687 1.00 11.82 O HETATM 1884 O HOH 31 29.138 -9.349 22.546 1.00 15.66 O HETATM 1885 O HOH 32 28.239 -8.503 27.314 1.00 34.32 O HETATM 1886 O HOH 33 27.983 -6.374 29.305 1.00 24.25 O HETATM 1887 O HOH 34 22.461 19.746 23.041 1.00 41.27 O HETATM 1888 O HOH 35 18.143 -11.035 18.417 1.00 37.52 O HETATM 1889 O HOH 36 17.292 -11.277 13.518 1.00 41.35 O HETATM 1890 O HOH 37 16.346 -7.556 12.490 1.00 35.82 O HETATM 1891 O HOH 38 16.416 -9.971 9.776 1.00 43.55 O HETATM 1892 O HOH 39 19.381 -8.421 9.902 1.00 28.64 O HETATM 1893 O HOH 40 17.764 -6.243 8.712 1.00 31.92 O HETATM 1894 O HOH 41 18.753 -8.216 5.917 1.00 30.59 O HETATM 1895 O HOH 42 18.183 -5.750 4.848 1.00 34.76 O HETATM 1896 O HOH 43 22.089 -9.855 4.465 1.00 39.00 O HETATM 1897 O HOH 44 22.991 -11.922 4.880 1.00 42.06 O HETATM 1898 O HOH 45 25.177 -13.049 2.811 1.00 31.71 O HETATM 1899 O HOH 46 27.681 -14.164 6.069 1.00 44.01 O HETATM 1900 O HOH 47 25.063 -13.365 8.665 1.00 33.54 O HETATM 1901 O HOH 48 22.837 -13.825 7.289 1.00 37.10 O HETATM 1902 O HOH 49 24.113 -13.595 13.173 1.00 38.24 O HETATM 1903 O HOH 50 26.819 -14.130 14.215 1.00 30.43 O HETATM 1904 O HOH 51 23.865 -11.714 15.237 1.00 43.06 O HETATM 1905 O HOH 52 21.130 18.067 18.732 1.00 41.55 O HETATM 1906 O HOH 53 18.112 16.953 19.112 1.00 42.80 O HETATM 1907 O HOH 54 30.495 -13.180 20.105 1.00 34.42 O HETATM 1908 O HOH 55 30.171 -13.788 17.141 1.00 35.90 O HETATM 1909 O HOH 56 33.941 -12.646 15.622 1.00 42.31 O HETATM 1910 O HOH 57 33.601 -9.918 16.473 1.00 27.53 O HETATM 1911 O HOH 58 34.071 -7.732 14.363 1.00 26.96 O HETATM 1912 O HOH 59 36.074 -5.794 14.478 1.00 41.41 O HETATM 1913 O HOH 60 36.281 -5.236 12.086 1.00 39.44 O HETATM 1914 O HOH 61 34.873 -3.752 10.848 1.00 26.34 O HETATM 1915 O HOH 62 34.504 -1.156 10.677 1.00 14.19 O HETATM 1916 O HOH 63 35.926 0.266 12.693 1.00 17.30 O HETATM 1917 O HOH 64 39.516 2.065 12.717 1.00 24.52 O HETATM 1918 O HOH 65 39.495 3.367 14.734 1.00 14.48 O HETATM 1919 O HOH 66 39.206 4.012 17.067 1.00 20.37 O HETATM 1920 O HOH 67 41.380 2.597 19.837 1.00 34.40 O HETATM 1921 O HOH 68 43.748 0.529 21.255 1.00 40.02 O HETATM 1922 O HOH 69 43.246 -1.040 22.950 1.00 40.42 O HETATM 1923 O HOH 70 41.992 -1.425 21.433 1.00 34.74 O HETATM 1924 O HOH 71 39.733 -0.332 19.759 1.00 23.28 O HETATM 1925 O HOH 72 37.507 -0.180 21.135 1.00 11.59 O HETATM 1926 O HOH 73 37.466 -2.247 16.250 1.00 24.43 O HETATM 1927 O HOH 74 39.553 0.615 15.101 1.00 38.19 O HETATM 1928 O HOH 75 42.022 1.247 10.639 1.00 42.68 O HETATM 1929 O HOH 76 41.026 -0.900 9.575 1.00 27.83 O HETATM 1930 O HOH 77 47.191 -2.501 13.957 1.00 41.56 O HETATM 1931 O HOH 78 51.091 -2.969 -13.020 1.00 42.15 O HETATM 1932 O HOH 79 45.156 -4.530 13.473 1.00 42.22 O HETATM 1933 O HOH 80 45.325 -6.814 12.055 1.00 44.63 O HETATM 1934 O HOH 81 46.292 -8.231 9.913 1.00 43.33 O HETATM 1935 O HOH 82 45.983 -4.877 9.061 1.00 39.20 O HETATM 1936 O HOH 83 47.140 -4.090 6.872 1.00 41.29 O HETATM 1937 O HOH 84 49.746 -4.472 7.572 1.00 43.82 O HETATM 1938 O HOH 85 47.661 -1.476 6.740 1.00 36.41 O HETATM 1939 O HOH 86 46.631 -1.235 4.234 1.00 29.30 O HETATM 1940 O HOH 87 45.533 -5.476 5.218 1.00 35.63 O HETATM 1941 O HOH 88 43.205 -6.919 6.401 1.00 39.03 O HETATM 1942 O HOH 89 45.124 -9.945 5.533 1.00 45.80 O HETATM 1943 O HOH 90 42.324 -12.295 4.688 1.00 44.20 O HETATM 1944 O HOH 91 42.576 -14.285 3.863 1.00 39.43 O HETATM 1945 O HOH 92 42.527 -12.075 -0.152 1.00 43.23 O HETATM 1946 O HOH 93 44.625 -11.282 -3.017 1.00 32.16 O HETATM 1947 O HOH 94 40.954 -11.184 -5.279 1.00 43.11 O HETATM 1948 O HOH 95 41.118 -10.699 -7.532 1.00 47.66 O HETATM 1949 O HOH 96 9.221 5.409 7.738 1.00 47.53 O HETATM 1950 O HOH 97 10.842 7.557 9.236 1.00 39.45 O HETATM 1951 O HOH 98 12.556 7.861 12.287 1.00 41.10 O HETATM 1952 O HOH 99 13.622 6.323 10.866 1.00 41.59 O HETATM 1953 O HOH 100 33.641 -8.816 -10.220 1.00 25.42 O HETATM 1954 O HOH 101 35.651 -5.302 -10.549 1.00 46.76 O HETATM 1955 O HOH 102 35.227 -1.403 -8.454 1.00 43.23 O HETATM 1956 O HOH 103 33.250 -0.911 -9.696 1.00 44.27 O HETATM 1957 O HOH 104 33.072 0.277 -11.592 1.00 45.54 O HETATM 1958 O HOH 105 31.464 -0.495 -11.956 1.00 39.03 O HETATM 1959 O HOH 106 29.053 -3.091 -9.192 1.00 27.72 O HETATM 1960 O HOH 107 28.944 -1.193 -5.517 1.00 31.01 O HETATM 1961 O HOH 108 27.008 -2.872 -5.083 1.00 29.61 O HETATM 1962 O HOH 109 24.946 -2.066 -3.567 1.00 35.21 O HETATM 1963 O HOH 110 25.540 0.257 -4.123 1.00 40.06 O HETATM 1964 O HOH 111 22.591 2.621 -2.941 1.00 42.50 O HETATM 1965 O HOH 112 20.265 0.841 -3.671 1.00 35.37 O HETATM 1966 O HOH 113 30.787 -10.586 -2.127 1.00 32.21 O HETATM 1967 O HOH 114 20.936 6.422 2.200 1.00 38.05 O HETATM 1968 O HOH 115 23.434 5.223 1.268 1.00 22.32 O HETATM 1969 O HOH 116 26.148 -10.175 -4.538 1.00 20.12 O HETATM 1970 O HOH 117 21.800 6.587 7.176 1.00 20.45 O HETATM 1971 O HOH 118 23.825 8.123 7.502 1.00 23.42 O HETATM 1972 O HOH 119 23.974 -4.567 -6.391 1.00 30.61 O HETATM 1973 O HOH 120 28.897 12.352 6.800 1.00 23.78 O HETATM 1974 O HOH 121 30.896 14.123 6.315 1.00 26.24 O HETATM 1975 O HOH 122 29.712 16.659 7.230 1.00 41.33 O HETATM 1976 O HOH 123 30.270 -14.804 10.384 1.00 24.16 O HETATM 1977 O HOH 124 27.593 -15.055 10.804 1.00 37.27 O HETATM 1978 O HOH 125 26.418 14.195 11.663 1.00 41.19 O HETATM 1979 O HOH 126 24.823 15.041 13.002 1.00 30.78 O HETATM 1980 O HOH 127 23.076 -16.152 12.478 1.00 46.13 O HETATM 1981 O HOH 128 23.548 15.542 9.587 1.00 36.75 O HETATM 1982 O HOH 129 24.042 13.679 7.959 1.00 41.06 O HETATM 1983 O HOH 130 22.452 12.742 10.654 1.00 30.18 O HETATM 1984 O HOH 131 21.152 12.830 13.172 1.00 25.82 O HETATM 1985 O HOH 132 22.097 14.002 16.112 1.00 29.17 O HETATM 1986 O HOH 133 20.755 13.193 17.863 1.00 38.94 O HETATM 1987 O HOH 134 20.691 10.410 18.622 1.00 25.88 O HETATM 1988 O HOH 135 22.414 8.320 19.069 1.00 17.94 O HETATM 1989 O HOH 136 21.426 9.004 22.416 1.00 23.33 O HETATM 1990 O HOH 137 17.238 6.829 17.178 1.00 22.06 O HETATM 1991 O HOH 138 16.860 1.324 21.153 1.00 22.92 O HETATM 1992 O HOH 139 18.315 -3.454 17.901 1.00 18.28 O HETATM 1993 O HOH 140 16.561 -0.025 9.470 1.00 20.04 O HETATM 1994 O HOH 141 17.988 1.241 5.531 1.00 27.34 O HETATM 1995 O HOH 142 17.026 0.257 1.689 1.00 36.84 O HETATM 1996 O HOH 143 17.327 4.777 3.123 1.00 28.03 O HETATM 1997 O HOH 144 9.405 2.065 8.777 1.00 43.05 O HETATM 1998 O HOH 145 46.783 14.089 7.339 1.00 45.26 O HETATM 1999 O HOH 146 13.977 3.855 10.822 1.00 34.81 O HETATM 2000 O HOH 147 18.492 9.496 16.859 1.00 27.36 O HETATM 2001 O HOH 148 16.488 11.016 17.606 1.00 33.26 O HETATM 2002 O HOH 149 19.304 14.059 19.620 1.00 38.16 O HETATM 2003 O HOH 150 19.686 16.560 21.151 1.00 45.08 O HETATM 2004 O HOH 151 21.588 17.256 23.238 1.00 42.40 O HETATM 2005 O HOH 152 22.220 12.299 24.351 1.00 20.57 O HETATM 2006 O HOH 153 25.449 12.983 26.557 1.00 20.76 O HETATM 2007 O HOH 154 28.979 20.622 21.699 1.00 24.80 O HETATM 2008 O HOH 155 34.192 -9.183 18.807 1.00 24.98 O HETATM 2009 O HOH 156 42.710 -0.317 29.763 1.00 39.18 O HETATM 2010 O HOH 157 40.599 1.648 28.471 1.00 32.23 O HETATM 2011 O HOH 158 32.963 -0.993 34.269 1.00 40.80 O HETATM 2012 O HOH 159 26.754 3.469 29.383 1.00 29.43 O HETATM 2013 O HOH 160 30.773 4.537 29.157 1.00 30.85 O HETATM 2014 O HOH 161 31.520 7.929 25.877 1.00 11.62 O HETATM 2015 O HOH 162 35.489 7.137 24.309 1.00 34.42 O HETATM 2016 O HOH 163 38.336 7.191 23.032 1.00 22.99 O HETATM 2017 O HOH 164 37.623 9.203 21.698 1.00 20.42 O HETATM 2018 O HOH 165 32.193 13.222 19.869 1.00 20.98 O HETATM 2019 O HOH 166 29.590 12.958 19.192 1.00 17.05 O HETATM 2020 O HOH 167 30.567 14.251 16.862 1.00 19.30 O HETATM 2021 O HOH 168 32.954 15.629 18.757 1.00 28.60 O HETATM 2022 O HOH 169 33.999 15.767 16.442 1.00 29.00 O HETATM 2023 O HOH 170 36.555 15.299 16.426 1.00 42.65 O HETATM 2024 O HOH 171 37.039 13.382 14.696 1.00 32.08 O HETATM 2025 O HOH 172 36.055 13.909 12.463 1.00 30.34 O HETATM 2026 O HOH 173 37.191 13.923 9.713 1.00 29.80 O HETATM 2027 O HOH 174 39.430 12.560 9.680 1.00 40.24 O HETATM 2028 O HOH 175 38.003 10.704 14.847 1.00 26.93 O HETATM 2029 O HOH 176 35.729 11.047 16.294 1.00 40.90 O HETATM 2030 O HOH 177 34.024 8.820 13.678 1.00 14.86 O HETATM 2031 O HOH 178 33.739 6.165 12.299 1.00 13.95 O HETATM 2032 O HOH 179 38.856 5.557 8.887 1.00 20.26 O HETATM 2033 O HOH 180 40.938 5.697 7.052 1.00 32.67 O HETATM 2034 O HOH 181 42.609 5.094 5.534 1.00 32.17 O HETATM 2035 O HOH 182 43.683 7.092 4.242 1.00 33.69 O HETATM 2036 O HOH 183 40.786 8.628 8.207 1.00 43.27 O HETATM 2037 O HOH 184 39.982 8.690 10.707 1.00 29.67 O HETATM 2038 O HOH 185 40.727 4.824 11.098 1.00 26.78 O HETATM 2039 O HOH 186 42.688 3.867 8.393 1.00 45.68 O HETATM 2040 O HOH 187 38.599 8.803 6.475 1.00 36.81 O HETATM 2041 O HOH 188 36.041 12.895 3.516 1.00 34.39 O HETATM 2042 O HOH 189 33.690 15.400 4.657 1.00 41.95 O HETATM 2043 O HOH 190 18.864 -2.356 -3.351 1.00 29.91 O HETATM 2044 O HOH 191 17.820 -6.061 -1.065 1.00 42.58 O HETATM 2045 O HOH 192 28.709 6.136 -1.447 1.00 31.66 O HETATM 2046 O HOH 193 26.188 5.225 -0.877 1.00 39.28 O HETATM 2047 O HOH 194 29.850 2.485 -4.621 1.00 36.70 O HETATM 2048 O HOH 195 33.440 4.512 -6.322 1.00 30.22 O HETATM 2049 O HOH 196 34.637 7.608 -6.234 1.00 39.54 O HETATM 2050 O HOH 197 39.583 10.206 -0.175 1.00 43.93 O HETATM 2051 O HOH 198 38.749 14.323 -0.634 1.00 38.11 O HETATM 2052 O HOH 199 41.629 10.956 -5.908 1.00 46.77 O HETATM 2053 O HOH 200 43.705 10.019 -2.971 1.00 46.06 O HETATM 2054 O HOH 201 47.646 11.794 -1.964 1.00 42.08 O HETATM 2055 O HOH 202 49.133 9.736 2.612 1.00 44.49 O HETATM 2056 O HOH 203 47.390 7.996 -4.438 1.00 40.62 O HETATM 2057 O HOH 204 49.354 6.697 5.419 1.00 43.26 O HETATM 2058 O HOH 205 48.416 6.136 8.030 1.00 47.07 O HETATM 2059 O HOH 206 44.723 7.090 -7.324 1.00 41.49 O HETATM 2060 O HOH 207 43.790 5.368 -3.427 1.00 33.00 O HETATM 2061 O HOH 208 41.207 2.702 -4.081 1.00 37.39 O HETATM 2062 O HOH 209 39.042 0.778 -3.709 1.00 37.69 O HETATM 2063 O HOH 210 40.439 -1.789 -6.994 1.00 41.05 O HETATM 2064 O HOH 211 39.146 -5.009 -8.649 1.00 42.05 O HETATM 2065 O HOH 212 49.992 -1.037 -10.652 1.00 34.85 O HETATM 2066 O HOH 213 48.803 -0.203 -7.948 1.00 39.23 O HETATM 2067 O HOH 214 45.469 -3.595 -6.537 1.00 38.65 O HETATM 2068 O HOH 215 46.576 -7.885 -7.731 1.00 41.49 O HETATM 2069 O HOH 216 42.921 -8.004 -5.267 1.00 35.86 O HETATM 2070 O HOH 217 40.401 -8.531 -6.077 1.00 41.51 O HETATM 2071 O HOH 218 38.322 -7.138 -5.156 1.00 31.68 O HETATM 2072 O HOH 219 36.872 -9.432 -4.426 1.00 30.14 O HETATM 2073 O HOH 220 34.314 -9.359 -3.048 1.00 18.79 O HETATM 2074 O HOH 221 16.514 3.259 5.812 1.00 28.39 O HETATM 2075 O HOH 222 24.567 -8.799 -0.431 1.00 29.19 O HETATM 2076 O HOH 223 24.827 -2.622 -0.573 1.00 46.21 O HETATM 2077 O HOH 224 34.947 -5.360 -3.347 1.00 17.50 O HETATM 2078 O HOH 225 39.209 -11.520 -3.108 1.00 44.86 O HETATM 2079 O HOH 226 48.801 -13.349 3.140 1.00 46.08 O HETATM 2080 O HOH 227 48.723 -8.386 2.547 1.00 43.01 O HETATM 2081 O HOH 228 36.776 23.346 13.447 1.00 43.30 O HETATM 2082 O HOH 229 40.433 -5.395 12.644 1.00 44.68 O HETATM 2083 O HOH 230 42.795 -4.846 15.007 1.00 43.31 O HETATM 2084 O HOH 231 41.139 -5.941 22.364 1.00 22.56 O HETATM 2085 O HOH 232 40.718 -7.299 20.206 1.00 34.45 O HETATM 2086 O HOH 233 46.033 0.136 24.502 1.00 44.13 O HETATM 2087 O HOH 234 43.725 2.629 23.895 1.00 39.00 O HETATM 2088 O HOH 235 42.502 1.589 25.469 1.00 39.31 O HETATM 2089 O HOH 236 41.743 3.763 22.101 1.00 28.94 O HETATM 2090 O HOH 237 36.504 25.065 7.199 1.00 40.61 O HETATM 2091 O HOH 238 37.683 20.482 6.290 1.00 41.51 O HETATM 2092 O HOH 239 35.904 -13.491 5.815 1.00 45.14 O HETATM 2093 O HOH 240 33.532 -14.216 5.926 1.00 38.35 O HETATM 2094 O HOH 241 36.750 17.974 7.383 1.00 34.21 O HETATM 2095 O HOH 242 38.311 -16.246 5.850 1.00 42.66 O HETATM 2096 O HOH 243 36.076 -15.355 2.041 1.00 46.32 O HETATM 2097 O HOH 244 41.363 16.721 2.664 1.00 40.02 O HETATM 2098 O HOH 245 27.472 16.020 14.782 1.00 35.42 O HETATM 2099 O HOH 246 26.234 14.978 16.820 1.00 23.89 O HETATM 2100 O HOH 247 24.681 13.164 15.123 1.00 21.59 O HETATM 2101 O HOH 248 24.775 10.607 13.831 1.00 18.18 O HETATM 2102 O HOH 249 27.066 9.159 13.919 1.00 14.17 O HETATM 2103 O HOH 250 27.294 14.719 19.538 1.00 19.91 O HETATM 2104 O HOH 251 28.205 17.559 19.595 1.00 37.48 O HETATM 2105 O HOH 252 29.307 16.821 22.805 1.00 27.50 O HETATM 2106 O HOH 253 27.834 19.014 23.198 1.00 36.12 O HETATM 2107 O HOH 254 24.138 17.096 17.004 1.00 35.57 O HETATM 2108 O HOH 255 18.254 13.577 15.664 1.00 44.90 O HETATM 2109 O HOH 256 20.470 6.538 21.583 1.00 22.07 O HETATM 2110 O HOH 257 30.631 2.142 33.177 1.00 38.58 O HETATM 2111 O HOH 258 35.969 0.512 34.218 1.00 36.10 O HETATM 2112 O HOH 259 34.847 -1.484 33.080 1.00 23.07 O HETATM 2113 O HOH 260 31.660 -0.507 26.929 1.00 17.45 O HETATM 2114 O HOH 261 41.366 5.907 17.602 1.00 33.08 O HETATM 2115 O HOH 262 30.408 -10.390 6.910 1.00 34.66 O HETATM 2116 O HOH 263 33.284 21.471 7.229 1.00 31.74 O HETATM 2117 O HOH 264 31.025 -9.853 9.810 1.00 39.01 O HETATM 2118 O HOH 265 31.763 -6.691 11.344 1.00 39.25 O HETATM 2119 O HOH 266 31.453 -11.548 13.792 1.00 31.99 O HETATM 2120 O HOH 267 35.002 -9.437 3.621 1.00 21.36 O HETATM 2121 O HOH 268 33.981 2.231 -10.019 1.00 42.74 O HETATM 2122 O HOH 269 51.844 0.545 -2.419 1.00 27.40 O HETATM 2123 O HOH 270 47.678 -1.159 -0.217 1.00 30.73 O HETATM 2124 O HOH 271 18.958 -4.648 -1.456 1.00 29.40 O HETATM 2125 O HOH 272 38.450 6.354 -4.941 1.00 45.60 O HETATM 2126 O HOH 273 49.485 -11.393 0.942 1.00 37.81 O HETATM 2127 O HOH 274 22.962 13.594 26.923 1.00 30.25 O HETATM 2128 O HOH 275 41.098 7.244 14.673 1.00 27.50 O HETATM 2129 O HOH 276 26.626 -4.653 0.082 1.00 28.83 O HETATM 2130 O HOH 277 18.033 10.807 13.011 1.00 33.84 O HETATM 2131 O HOH 278 30.680 5.833 32.034 1.00 35.75 O HETATM 2132 O HOH 279 17.967 -4.617 13.149 1.00 30.29 O HETATM 2133 O HOH 280 30.900 4.085 -6.694 1.00 25.06 O HETATM 2134 O HOH 281 49.887 -6.886 0.006 1.00 31.87 O HETATM 2135 O HOH 282 49.912 8.683 -0.025 1.00 30.30 O HETATM 2136 PB ADP A 283 36.396 3.677 13.087 1.00 0.21 P HETATM 2137 O1B ADP A 283 34.892 3.693 13.238 1.00 -0.59 O HETATM 2138 O2B ADP A 283 36.863 2.829 11.954 1.00 -0.59 O HETATM 2139 O3B ADP A 283 37.096 3.421 14.401 1.00 -0.59 O HETATM 2140 O3A ADP A 283 36.734 5.187 12.670 1.00 -0.15 O HETATM 2141 PA ADP A 283 37.900 6.221 13.092 1.00 0.33 P HETATM 2142 O1A ADP A 283 38.031 7.192 11.940 1.00 -0.56 O HETATM 2143 O2A ADP A 283 39.152 5.499 13.504 1.00 -0.56 O HETATM 2144 O5 ADP A 283 37.293 7.074 14.297 1.00 -0.24 O HETATM 2145 C5 ADP A 283 36.840 6.450 15.499 1.00 0.11 C HETATM 2146 C4 ADP A 283 36.712 7.550 16.540 1.00 0.12 C HETATM 2147 O4 ADP A 283 35.976 7.003 17.631 1.00 -0.34 O HETATM 2148 C1 ADP A 283 36.621 7.353 18.841 1.00 0.20 C HETATM 2149 C2 ADP A 283 38.098 7.402 18.504 1.00 0.14 C HETATM 2150 C3 ADP A 283 37.999 8.095 17.161 1.00 0.11 C HETATM 2151 O3 ADP A 283 37.850 9.495 17.349 1.00 -0.39 O HETATM 2152 H5 ADP A 283 37.693 9.911 16.510 1.00 0.21 H HETATM 2153 H4 ADP A 283 38.876 7.880 16.533 1.00 0.06 H HETATM 2154 O2 ADP A 283 38.877 8.066 19.491 1.00 -0.38 O HETATM 2155 H7 ADP A 283 38.505 8.923 19.662 1.00 0.21 H HETATM 2156 H6 ADP A 283 38.508 6.388 18.383 1.00 0.07 H HETATM 2157 N9 ADP A 283 36.275 6.370 19.889 1.00 -0.19 N HETATM 2158 C8 ADP A 283 35.419 6.670 20.900 1.00 0.11 C HETATM 2159 N7 ADP A 283 35.213 5.631 21.747 1.00 -0.30 N HETATM 2160 C5 ADP A 283 35.997 4.691 21.237 1.00 0.10 C HETATM 2161 C6 ADP A 283 36.245 3.338 21.656 1.00 0.13 C HETATM 2162 N6 ADP A 283 35.656 2.870 22.777 1.00 -0.32 N HETATM 2163 H10 ADP A 283 35.829 1.902 23.084 1.00 0.18 H HETATM 2164 H11 ADP A 283 35.034 3.481 23.326 1.00 0.18 H HETATM 2165 N1 ADP A 283 37.091 2.610 20.922 1.00 -0.27 N HETATM 2166 C2 ADP A 283 37.680 3.103 19.820 1.00 0.05 C HETATM 2167 N3 ADP A 283 37.512 4.340 19.341 1.00 -0.27 N HETATM 2168 C4 ADP A 283 36.690 5.117 20.030 1.00 0.16 C HETATM 2169 H12 ADP A 283 38.346 2.444 19.274 1.00 0.10 H HETATM 2170 H9 ADP A 283 34.947 7.644 21.018 1.00 0.13 H HETATM 2171 H8 ADP A 283 36.291 8.348 19.174 1.00 0.10 H HETATM 2172 H3 ADP A 283 36.164 8.388 16.085 1.00 0.07 H HETATM 2173 H1 ADP A 283 37.568 5.696 15.832 1.00 0.06 H HETATM 2174 H2 ADP A 283 35.864 5.970 15.333 1.00 0.06 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 2136 2137 2138 2139 2140 CONECT 2137 2136 CONECT 2138 2136 CONECT 2139 2136 CONECT 2140 2136 2141 CONECT 2141 2140 2142 2143 2144 CONECT 2142 2141 CONECT 2143 2141 CONECT 2144 2141 2145 CONECT 2145 2144 2146 2173 2174 CONECT 2146 2145 2147 2150 2172 CONECT 2147 2146 2148 CONECT 2148 2147 2149 2157 2171 CONECT 2149 2148 2150 2154 2156 CONECT 2150 2146 2149 2151 2153 CONECT 2151 2150 2152 CONECT 2152 2151 CONECT 2153 2150 CONECT 2154 2149 2155 CONECT 2155 2154 CONECT 2156 2149 CONECT 2157 2148 2158 2168 CONECT 2158 2157 2159 2170 CONECT 2159 2158 2160 CONECT 2160 2159 2161 2168 CONECT 2161 2160 2162 2165 CONECT 2162 2161 2163 2164 CONECT 2163 2162 CONECT 2164 2162 CONECT 2165 2161 2166 CONECT 2166 2165 2167 2169 CONECT 2167 2166 2168 CONECT 2168 2157 2160 2167 CONECT 2169 2166 CONECT 2170 2158 CONECT 2171 2148 CONECT 2172 2146 CONECT 2173 2145 CONECT 2174 2145 MASTER 0 0 0 0 0 0 0 0 2173 1 51 10 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 1o0h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1afk
RCSB PDB
PDBbind
124aa, >1AFK_1|Chains... at 99%
1afl
RCSB PDB
PDBbind
124aa, >1AFL_1|Chains... at 99%
1dfj
RCSB PDB
PDBbind
124aa, >1DFJ_1|Chain... at 99%
1j7z
RCSB PDB
PDBbind
104aa, >1J7Z_2|Chain... at 99%
1j80
RCSB PDB
PDBbind
104aa, >1J80_2|Chain... at 99%
1j81
RCSB PDB
PDBbind
104aa, >1J81_2|Chain... at 99%
1jn4
RCSB PDB
PDBbind
124aa, >1JN4_1|Chains... at 99%
1jvu
RCSB PDB
PDBbind
124aa, >1JVU_1|Chains... at 99%
1o0f
RCSB PDB
PDBbind
124aa, >1O0F_1|Chains... at 99%
1o0m
RCSB PDB
PDBbind
124aa, >1O0M_1|Chains... at 99%
1o0n
RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
124aa, >1RNM_1|Chain... at 99%
1rpf
RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
1w4o
RCSB PDB
PDBbind
124aa, >1W4O_1|Chains... at 99%
1w4p
RCSB PDB
PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
2w5i
RCSB PDB
PDBbind
124aa, >2W5I_1|Chains... at 99%
2xog
RCSB PDB
PDBbind
124aa, >2XOG_1|Chains... at 99%
2xoi
RCSB PDB
PDBbind
124aa, >2XOI_1|Chains... at 99%
3d6o
RCSB PDB
PDBbind
124aa, >3D6O_1|Chains... at 99%
3d6p
RCSB PDB
PDBbind
124aa, >3D6P_1|Chains... at 99%
3d6q
RCSB PDB
PDBbind
124aa, >3D6Q_1|Chains... at 99%
3d7b
RCSB PDB
PDBbind
124aa, >3D7B_1|Chains... at 99%
3d8y
RCSB PDB
PDBbind
124aa, >3D8Y_1|Chains... at 99%
3d8z
RCSB PDB
PDBbind
124aa, >3D8Z_1|Chains... at 99%
3dxg
RCSB PDB
PDBbind
124aa, >3DXG_1|Chains... at 99%
3dxh
RCSB PDB
PDBbind
124aa, >3DXH_1|Chains... at 99%
3lxo
RCSB PDB
PDBbind
124aa, >3LXO_1|Chain... at 99%
4g8v
RCSB PDB
PDBbind
124aa, >4G8V_1|Chains... at 99%
4g8y
RCSB PDB
PDBbind
124aa, >4G8Y_1|Chains... at 99%
4g90
RCSB PDB
PDBbind
124aa, >4G90_1|Chains... at 99%
4peq
RCSB PDB
PDBbind
124aa, >4PEQ_1|Chains... at 99%
4rsk
RCSB PDB
PDBbind
124aa, >4RSK_1|Chain... at 96%
4wyp
RCSB PDB
PDBbind
125aa, >4WYP_1|Chains... *
4wyz
RCSB PDB
PDBbind
125aa, >4WYZ_1|Chains... at 100%
6rsa
RCSB PDB
PDBbind
124aa, >6RSA_1|Chain... at 99%
6pvx
RCSB PDB
PDBbind
124aa, >6PVX_1|Chains... at 99%
6pvw
RCSB PDB
PDBbind
124aa, >6PVW_1|Chains... at 99%
6pvv
RCSB PDB
PDBbind
124aa, >6PVV_1|Chains... at 99%
6pvu
RCSB PDB
PDBbind
124aa, >6PVU_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1amw
RCSB PDB
PDBbind
ADP
1ao0
RCSB PDB
PDBbind
ADP
1atr
RCSB PDB
PDBbind
ADP
1e8h
RCSB PDB
PDBbind
ADP
1hi5
RCSB PDB
PDBbind
ADP
1lkx
RCSB PDB
PDBbind
ADP
1m74
RCSB PDB
PDBbind
ADP
1t3t
RCSB PDB
PDBbind
ADP
1ucn
RCSB PDB
PDBbind
ADP
1xxi
RCSB PDB
PDBbind
ADP
1y8o
RCSB PDB
PDBbind
ADP
2bfr
RCSB PDB
PDBbind
ADP
2c02
RCSB PDB
PDBbind
ADP
2e2p
RCSB PDB
PDBbind
ADP
2hmv
RCSB PDB
PDBbind
ADP
2ja3
RCSB PDB
PDBbind
ADP
2o1v
RCSB PDB
PDBbind
ADP
2qv7
RCSB PDB
PDBbind
ADP
2r6f
RCSB PDB
PDBbind
ADP
2rio
RCSB PDB
PDBbind
ADP
2vhj
RCSB PDB
PDBbind
ADP
2y8i
RCSB PDB
PDBbind
ADP
2y8l
RCSB PDB
PDBbind
ADP
2y8q
RCSB PDB
PDBbind
ADP
2z4r
RCSB PDB
PDBbind
ADP
2zkj
RCSB PDB
PDBbind
ADP
3a1d
RCSB PDB
PDBbind
ADP
3atu
RCSB PDB
PDBbind
ADP
3atv
RCSB PDB
PDBbind
ADP
3ay9
RCSB PDB
PDBbind
ADP
3bf1
RCSB PDB
PDBbind
ADP
3bxz
RCSB PDB
PDBbind
ADP
3c7n
RCSB PDB
PDBbind
ADP
3cf1
RCSB PDB
PDBbind
ADP
3d2r
RCSB PDB
PDBbind
ADP
3dgn
RCSB PDB
PDBbind
ADP
3i73
RCSB PDB
PDBbind
ADP
3iuc
RCSB PDB
PDBbind
ADP
3k1j
RCSB PDB
PDBbind
ADP
3llm
RCSB PDB
PDBbind
ADP
3mle
RCSB PDB
PDBbind
ADP
3ncr
RCSB PDB
PDBbind
ADP
3p23
RCSB PDB
PDBbind
ADP
3qc9
RCSB PDB
PDBbind
ADP
3qxh
RCSB PDB
PDBbind
ADP
3rup
RCSB PDB
PDBbind
ADP
3rv3
RCSB PDB
PDBbind
ADP
3rv4
RCSB PDB
PDBbind
ADP
3t4n
RCSB PDB
PDBbind
ADP
3ta1
RCSB PDB
PDBbind
ADP
3tif
RCSB PDB
PDBbind
ADP
3vx3
RCSB PDB
PDBbind
ADP
4c3k
RCSB PDB
PDBbind
ADP
4i3z
RCSB PDB
PDBbind
ADP
4kod
RCSB PDB
PDBbind
ADP
4lj5
RCSB PDB
PDBbind
ADP
4lj8
RCSB PDB
PDBbind
ADP
4nxu
RCSB PDB
PDBbind
ADP
4oag
RCSB PDB
PDBbind
ADP
4ocp
RCSB PDB
PDBbind
ADP
4ozj
RCSB PDB
PDBbind
ADP
4u0s
RCSB PDB
PDBbind
ADP
4u0u
RCSB PDB
PDBbind
ADP
4uoh
RCSB PDB
PDBbind
ADP
4zki
RCSB PDB
PDBbind
ADP
5evz
RCSB PDB
PDBbind
ADP
5fsx
RCSB PDB
PDBbind
ADP
6czd
RCSB PDB
PDBbind
ADP
6f3f
RCSB PDB
PDBbind
ADP
6fa5
RCSB PDB
PDBbind
ADP
6faa
RCSB PDB
PDBbind
ADP
6fac
RCSB PDB
PDBbind
ADP
6fhk
RCSB PDB
PDBbind
ADP
6n9l
RCSB PDB
PDBbind
ADP
6mmc
RCSB PDB
PDBbind
ADP
6hys
RCSB PDB
PDBbind
ADP
6cjj
RCSB PDB
PDBbind
ADP
6bs3
RCSB PDB
PDBbind
ADP
5kk8
RCSB PDB
PDBbind
ADP
Entry Information
PDB ID
1o0h
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease a
Ligand Name
ADP
EC.Number
E.C.3.1.27.5
Resolution
1.2(Å)
Affinity (Kd/Ki/IC50)
Ki=1.2uM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
PROTEIN SCI. v12 pp. 2559-74, 2003
Ligand Properties
Formula
C
1
0
H
1
7
N
5
O
1
0
P
2
Molecular Weight
429.217
Exact Mass
429.045
No. of atoms
44
No. of bonds
46
Polar Surface Area
266.1
LOGP Value
-4.89 (
Computed with XLOGP3
)
-2.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(O)(O)O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H19N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-22,26-27H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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