Browse entries in the PDBbind-CN Database
HEADER 1O0F_COMPLEX COMPND 1O0F_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 A A 3P 38 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 35.705 21.293 9.175 1.00 37.35 N ATOM 2 CA LYS A 1 36.288 19.974 9.551 1.00 36.04 C ATOM 3 C LYS A 1 35.266 18.853 9.365 1.00 35.06 C ATOM 4 O LYS A 1 34.551 18.812 8.363 1.00 35.86 O ATOM 5 CB LYS A 1 36.764 20.013 11.008 1.00 37.26 C ATOM 6 CG LYS A 1 35.686 20.390 12.013 1.00 37.13 C ATOM 7 CD LYS A 1 36.261 20.499 13.419 1.00 38.56 C ATOM 8 CE LYS A 1 35.190 20.868 14.436 1.00 39.20 C ATOM 9 NZ LYS A 1 34.137 19.823 14.544 1.00 40.76 N ATOM 10 HA LYS A 1 37.137 19.773 8.898 1.00 0.00 H ATOM 11 HB2 LYS A 1 37.143 19.025 11.269 1.00 0.00 H ATOM 12 HB3 LYS A 1 37.571 20.742 11.084 1.00 0.00 H ATOM 13 HG2 LYS A 1 35.254 21.350 11.729 1.00 0.00 H ATOM 14 HG3 LYS A 1 34.908 19.626 12.004 1.00 0.00 H ATOM 15 HD2 LYS A 1 36.699 19.540 13.698 1.00 0.00 H ATOM 16 HD3 LYS A 1 37.035 21.266 13.426 1.00 0.00 H ATOM 17 HE2 LYS A 1 34.725 21.806 14.132 1.00 0.00 H ATOM 18 HE3 LYS A 1 35.660 20.996 15.411 1.00 0.00 H ATOM 19 HZ1 LYS A 1 33.677 19.699 13.619 1.00 0.00 H ATOM 20 HZ2 LYS A 1 34.570 18.925 14.840 1.00 0.00 H ATOM 21 HZ3 LYS A 1 33.430 20.117 15.247 1.00 0.00 H ATOM 22 HN3 LYS A 1 34.879 21.490 9.776 1.00 0.00 H ATOM 23 HN2 LYS A 1 35.412 21.269 8.177 1.00 0.00 H ATOM 24 HN1 LYS A 1 36.419 22.037 9.310 1.00 0.00 H ATOM 25 N GLU A 2 35.213 17.944 10.332 1.00 31.78 N ATOM 26 CA GLU A 2 34.282 16.820 10.305 1.00 28.05 C ATOM 27 C GLU A 2 34.163 16.256 11.712 1.00 25.10 C ATOM 28 O GLU A 2 35.165 15.892 12.328 1.00 25.01 O ATOM 29 CB GLU A 2 34.778 15.721 9.358 1.00 26.88 C ATOM 30 CG GLU A 2 33.941 14.444 9.406 1.00 25.24 C ATOM 31 CD GLU A 2 34.480 13.338 8.511 1.00 23.28 C ATOM 32 OE1 GLU A 2 35.658 12.953 8.671 1.00 23.86 O ATOM 33 OE2 GLU A 2 33.718 12.848 7.651 1.00 22.89 O ATOM 34 HA GLU A 2 33.313 17.169 9.947 1.00 0.00 H ATOM 35 HB2 GLU A 2 34.756 16.109 8.339 1.00 0.00 H ATOM 36 HB3 GLU A 2 35.804 15.471 9.628 1.00 0.00 H ATOM 37 HG2 GLU A 2 33.923 14.080 10.433 1.00 0.00 H ATOM 38 HG3 GLU A 2 32.926 14.683 9.088 1.00 0.00 H ATOM 39 H GLU A 2 35.861 18.037 11.141 1.00 0.00 H ATOM 40 N THR A 3 32.940 16.190 12.222 1.00 23.57 N ATOM 41 CA THR A 3 32.717 15.663 13.563 1.00 22.24 C ATOM 42 C THR A 3 32.907 14.154 13.564 1.00 21.11 C ATOM 43 O THR A 3 32.853 13.512 12.513 1.00 21.00 O ATOM 44 CB THR A 3 31.295 15.969 14.061 1.00 22.58 C ATOM 45 OG1 THR A 3 30.340 15.287 13.237 1.00 21.01 O ATOM 46 CG2 THR A 3 31.031 17.469 14.018 1.00 22.28 C ATOM 47 HA THR A 3 33.437 16.143 14.225 1.00 0.00 H ATOM 48 HB THR A 3 31.200 15.625 15.091 1.00 0.00 H ATOM 49 HG1 THR A 3 29.426 15.486 13.560 1.00 0.00 H ATOM 50 HG23 THR A 3 31.759 17.983 14.646 1.00 0.00 H ATOM 51 HG21 THR A 3 31.120 17.823 12.991 1.00 0.00 H ATOM 52 HG22 THR A 3 30.025 17.670 14.387 1.00 0.00 H ATOM 53 H THR A 3 32.130 16.518 11.658 1.00 0.00 H ATOM 54 N ALA A 4 33.138 13.597 14.747 1.00 19.26 N ATOM 55 CA ALA A 4 33.325 12.159 14.899 1.00 18.19 C ATOM 56 C ALA A 4 32.058 11.435 14.464 1.00 17.64 C ATOM 57 O ALA A 4 32.118 10.341 13.895 1.00 16.73 O ATOM 58 CB ALA A 4 33.648 11.824 16.355 1.00 19.03 C ATOM 59 HA ALA A 4 34.157 11.835 14.274 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.563 12.338 16.650 1.00 0.00 H ATOM 61 HB2 ALA A 4 32.825 12.148 16.992 1.00 0.00 H ATOM 62 HB3 ALA A 4 33.786 10.748 16.457 1.00 0.00 H ATOM 63 H ALA A 4 33.187 14.204 15.590 1.00 0.00 H ATOM 64 N ALA A 5 30.910 12.047 14.736 1.00 17.06 N ATOM 65 CA ALA A 5 29.624 11.470 14.364 1.00 16.01 C ATOM 66 C ALA A 5 29.510 11.433 12.844 1.00 16.24 C ATOM 67 O ALA A 5 29.054 10.441 12.271 1.00 14.46 O ATOM 68 CB ALA A 5 28.483 12.294 14.961 1.00 17.62 C ATOM 69 HA ALA A 5 29.556 10.455 14.756 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.571 12.300 16.047 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.539 13.315 14.585 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.529 11.852 14.675 1.00 0.00 H ATOM 73 H ALA A 5 30.930 12.963 15.228 1.00 0.00 H ATOM 74 N ALA A 6 29.928 12.520 12.198 1.00 15.62 N ATOM 75 CA ALA A 6 29.885 12.609 10.743 1.00 17.76 C ATOM 76 C ALA A 6 30.817 11.571 10.124 1.00 16.94 C ATOM 77 O ALA A 6 30.483 10.948 9.114 1.00 16.10 O ATOM 78 CB ALA A 6 30.290 14.008 10.292 1.00 19.07 C ATOM 79 HA ALA A 6 28.866 12.411 10.410 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.601 14.739 10.716 1.00 0.00 H ATOM 81 HB2 ALA A 6 31.303 14.220 10.634 1.00 0.00 H ATOM 82 HB3 ALA A 6 30.254 14.062 9.204 1.00 0.00 H ATOM 83 H ALA A 6 30.294 13.325 12.745 1.00 0.00 H ATOM 84 N LYS A 7 31.985 11.393 10.731 1.00 15.11 N ATOM 85 CA LYS A 7 32.954 10.421 10.245 1.00 14.64 C ATOM 86 C LYS A 7 32.376 9.010 10.330 1.00 15.29 C ATOM 87 O LYS A 7 32.599 8.183 9.441 1.00 14.81 O ATOM 88 CB LYS A 7 34.247 10.503 11.058 1.00 16.11 C ATOM 89 CG LYS A 7 35.334 9.563 10.574 1.00 19.69 C ATOM 90 CD LYS A 7 36.653 9.844 11.267 1.00 23.16 C ATOM 91 CE LYS A 7 37.770 9.015 10.656 1.00 25.44 C ATOM 92 NZ LYS A 7 39.097 9.329 11.255 1.00 27.82 N ATOM 93 HA LYS A 7 33.179 10.650 9.203 1.00 0.00 H ATOM 94 HB2 LYS A 7 34.625 11.524 11.002 1.00 0.00 H ATOM 95 HB3 LYS A 7 34.017 10.259 12.095 1.00 0.00 H ATOM 96 HG2 LYS A 7 35.035 8.536 10.783 1.00 0.00 H ATOM 97 HG3 LYS A 7 35.463 9.692 9.499 1.00 0.00 H ATOM 98 HD2 LYS A 7 36.894 10.902 11.162 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.561 9.597 12.325 1.00 0.00 H ATOM 100 HE2 LYS A 7 37.811 9.216 9.586 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.553 7.959 10.818 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.317 10.333 11.099 1.00 0.00 H ATOM 103 HZ2 LYS A 7 39.070 9.133 12.276 1.00 0.00 H ATOM 104 HZ3 LYS A 7 39.827 8.739 10.807 1.00 0.00 H ATOM 105 H LYS A 7 32.212 11.961 11.572 1.00 0.00 H ATOM 106 N PHE A 8 31.632 8.729 11.399 1.00 14.68 N ATOM 107 CA PHE A 8 31.028 7.413 11.548 1.00 13.29 C ATOM 108 C PHE A 8 30.029 7.169 10.421 1.00 13.20 C ATOM 109 O PHE A 8 29.985 6.085 9.845 1.00 12.88 O ATOM 110 CB PHE A 8 30.330 7.276 12.910 1.00 12.49 C ATOM 111 CG PHE A 8 29.584 5.980 13.076 1.00 10.68 C ATOM 112 CD1 PHE A 8 28.271 5.852 12.629 1.00 10.67 C ATOM 113 CD2 PHE A 8 30.215 4.866 13.623 1.00 10.79 C ATOM 114 CE1 PHE A 8 27.600 4.641 12.719 1.00 10.56 C ATOM 115 CE2 PHE A 8 29.550 3.648 13.717 1.00 10.36 C ATOM 116 CZ PHE A 8 28.240 3.534 13.264 1.00 11.24 C ATOM 117 HA PHE A 8 31.820 6.666 11.496 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.085 7.342 13.693 1.00 0.00 H ATOM 119 HB3 PHE A 8 29.622 8.098 13.019 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.241 4.949 13.981 1.00 0.00 H ATOM 121 HE2 PHE A 8 30.056 2.783 14.146 1.00 0.00 H ATOM 122 HZ PHE A 8 27.717 2.580 13.336 1.00 0.00 H ATOM 123 HE1 PHE A 8 26.573 4.558 12.363 1.00 0.00 H ATOM 124 HD1 PHE A 8 27.763 6.717 12.202 1.00 0.00 H ATOM 125 H PHE A 8 31.482 9.453 12.130 1.00 0.00 H ATOM 126 N GLU A 9 29.221 8.179 10.110 1.00 13.04 N ATOM 127 CA GLU A 9 28.247 8.040 9.034 1.00 14.30 C ATOM 128 C GLU A 9 28.942 7.816 7.689 1.00 13.13 C ATOM 129 O GLU A 9 28.510 6.981 6.890 1.00 12.67 O ATOM 130 CB GLU A 9 27.345 9.281 8.973 1.00 14.51 C ATOM 131 CG GLU A 9 26.405 9.384 10.170 1.00 15.35 C ATOM 132 CD GLU A 9 25.319 10.428 10.002 1.00 18.70 C ATOM 133 OE1 GLU A 9 24.706 10.488 8.913 1.00 20.92 O ATOM 134 OE2 GLU A 9 25.062 11.176 10.969 1.00 17.51 O ATOM 135 HA GLU A 9 27.630 7.166 9.242 1.00 0.00 H ATOM 136 HB2 GLU A 9 27.975 10.170 8.947 1.00 0.00 H ATOM 137 HB3 GLU A 9 26.747 9.234 8.063 1.00 0.00 H ATOM 138 HG2 GLU A 9 25.931 8.414 10.320 1.00 0.00 H ATOM 139 HG3 GLU A 9 26.995 9.639 11.051 1.00 0.00 H ATOM 140 H GLU A 9 29.284 9.073 10.638 1.00 0.00 H ATOM 141 N ARG A 10 30.030 8.544 7.453 1.00 14.69 N ATOM 142 CA ARG A 10 30.769 8.411 6.199 1.00 14.41 C ATOM 143 C ARG A 10 31.449 7.053 6.076 1.00 14.42 C ATOM 144 O ARG A 10 31.445 6.439 5.011 1.00 14.74 O ATOM 145 CB ARG A 10 31.828 9.510 6.086 1.00 15.99 C ATOM 146 CG ARG A 10 32.790 9.314 4.921 1.00 16.20 C ATOM 147 CD ARG A 10 33.689 10.523 4.727 1.00 15.95 C ATOM 148 NE ARG A 10 34.563 10.790 5.868 1.00 16.82 N ATOM 149 CZ ARG A 10 35.662 10.101 6.161 1.00 16.69 C ATOM 150 NH1 ARG A 10 36.043 9.085 5.394 1.00 18.86 N ATOM 151 NH2 ARG A 10 36.383 10.433 7.223 1.00 19.64 N ATOM 152 HA ARG A 10 30.043 8.505 5.392 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.320 10.466 5.957 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.405 9.529 7.010 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.410 8.440 5.118 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.214 9.152 4.010 1.00 0.00 H ATOM 157 HD2 ARG A 10 33.060 11.398 4.562 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.311 10.353 3.848 1.00 0.00 H ATOM 159 HE ARG A 10 34.306 11.577 6.497 1.00 0.00 H ATOM 160 HH12 ARG A 10 36.904 8.550 5.629 1.00 0.00 H ATOM 161 HH11 ARG A 10 35.481 8.824 4.559 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.243 9.897 7.456 1.00 0.00 H ATOM 163 HH21 ARG A 10 36.088 11.230 7.823 1.00 0.00 H ATOM 164 H ARG A 10 30.360 9.219 8.172 1.00 0.00 H ATOM 165 N GLN A 11 32.032 6.578 7.170 1.00 14.94 N ATOM 166 CA GLN A 11 32.740 5.304 7.144 1.00 13.40 C ATOM 167 C GLN A 11 31.884 4.062 7.287 1.00 11.95 C ATOM 168 O GLN A 11 32.237 3.006 6.765 1.00 12.96 O ATOM 169 CB GLN A 11 33.776 5.229 8.263 1.00 15.24 C ATOM 170 CG GLN A 11 34.870 6.255 8.249 1.00 16.56 C ATOM 171 CD GLN A 11 36.015 5.817 9.133 1.00 18.57 C ATOM 172 OE1 GLN A 11 37.037 5.336 8.649 1.00 20.97 O ATOM 173 NE2 GLN A 11 35.836 5.949 10.441 1.00 18.77 N ATOM 174 HA GLN A 11 33.179 5.298 6.146 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.245 5.327 9.210 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.246 4.247 8.211 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.232 6.381 7.228 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.477 7.204 8.614 1.00 0.00 H ATOM 179 HE22 GLN A 11 34.954 6.362 10.806 1.00 0.00 H ATOM 180 HE21 GLN A 11 36.578 5.639 11.101 1.00 0.00 H ATOM 181 H GLN A 11 31.983 7.121 8.056 1.00 0.00 H ATOM 182 N HIS A 12 30.762 4.178 7.992 1.00 12.46 N ATOM 183 CA HIS A 12 29.952 3.002 8.267 1.00 13.21 C ATOM 184 C HIS A 12 28.489 2.954 7.868 1.00 14.29 C ATOM 185 O HIS A 12 27.874 1.900 7.971 1.00 15.91 O ATOM 186 CB HIS A 12 30.048 2.698 9.760 1.00 12.23 C ATOM 187 CG HIS A 12 31.452 2.586 10.259 1.00 10.02 C ATOM 188 ND1 HIS A 12 32.297 1.567 9.878 1.00 10.15 N ATOM 189 CD2 HIS A 12 32.164 3.371 11.102 1.00 11.52 C ATOM 190 CE1 HIS A 12 33.469 1.726 10.466 1.00 10.28 C ATOM 191 NE2 HIS A 12 33.414 2.813 11.214 1.00 11.04 N ATOM 192 HA HIS A 12 30.392 2.264 7.596 1.00 0.00 H ATOM 193 HB2 HIS A 12 29.550 3.498 10.308 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.537 1.755 9.953 1.00 0.00 H ATOM 195 HD2 HIS A 12 31.812 4.275 11.598 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.334 1.072 10.353 1.00 0.00 H ATOM 197 H HIS A 12 30.464 5.109 8.346 1.00 0.00 H ATOM 198 N MET A 13 27.916 4.065 7.426 1.00 14.12 N ATOM 199 CA MET A 13 26.505 4.031 7.064 1.00 15.81 C ATOM 200 C MET A 13 26.234 3.979 5.568 1.00 14.13 C ATOM 201 O MET A 13 26.774 4.772 4.806 1.00 16.08 O ATOM 202 CB MET A 13 25.769 5.243 7.643 1.00 14.53 C ATOM 203 CG MET A 13 25.655 5.279 9.171 1.00 14.98 C ATOM 204 SD MET A 13 24.750 3.882 9.893 1.00 14.36 S ATOM 205 CE MET A 13 23.162 4.051 9.098 1.00 13.81 C ATOM 206 HA MET A 13 26.135 3.099 7.490 1.00 0.00 H ATOM 207 HB2 MET A 13 26.298 6.141 7.324 1.00 0.00 H ATOM 208 HB3 MET A 13 24.760 5.252 7.231 1.00 0.00 H ATOM 209 HG2 MET A 13 25.142 6.199 9.453 1.00 0.00 H ATOM 210 HG3 MET A 13 26.662 5.284 9.588 1.00 0.00 H ATOM 211 HE1 MET A 13 22.733 5.022 9.348 1.00 0.00 H ATOM 212 HE2 MET A 13 23.288 3.975 8.018 1.00 0.00 H ATOM 213 HE3 MET A 13 22.498 3.259 9.444 1.00 0.00 H ATOM 214 H MET A 13 28.464 4.945 7.339 1.00 0.00 H ATOM 215 N ASP A 14 25.398 3.029 5.162 1.00 14.85 N ATOM 216 CA ASP A 14 24.982 2.903 3.768 1.00 14.80 C ATOM 217 C ASP A 14 23.575 2.325 3.778 1.00 14.31 C ATOM 218 O ASP A 14 23.349 1.163 3.430 1.00 14.19 O ATOM 219 CB ASP A 14 25.913 2.001 2.962 1.00 17.19 C ATOM 220 CG ASP A 14 25.508 1.934 1.504 1.00 19.33 C ATOM 221 OD1 ASP A 14 24.988 2.955 1.007 1.00 20.78 O ATOM 222 OD2 ASP A 14 25.705 0.884 0.858 1.00 20.87 O ATOM 223 HA ASP A 14 25.015 3.881 3.289 1.00 0.00 H ATOM 224 HB2 ASP A 14 26.928 2.392 3.029 1.00 0.00 H ATOM 225 HB3 ASP A 14 25.883 0.996 3.383 1.00 0.00 H ATOM 226 H ASP A 14 25.028 2.353 5.860 1.00 0.00 H ATOM 227 N SER A 15 22.632 3.162 4.192 1.00 15.88 N ATOM 228 CA SER A 15 21.233 2.776 4.292 1.00 18.43 C ATOM 229 C SER A 15 20.583 2.484 2.942 1.00 22.79 C ATOM 230 O SER A 15 19.729 1.603 2.841 1.00 25.98 O ATOM 231 CB SER A 15 20.452 3.880 5.009 1.00 17.79 C ATOM 232 OG SER A 15 21.043 4.196 6.259 1.00 17.05 O ATOM 233 HA SER A 15 21.203 1.846 4.859 1.00 0.00 H ATOM 234 HB2 SER A 15 19.429 3.543 5.174 1.00 0.00 H ATOM 235 HB3 SER A 15 20.442 4.773 4.384 1.00 0.00 H ATOM 236 HG SER A 15 21.050 3.389 6.833 1.00 0.00 H ATOM 237 H SER A 15 22.904 4.131 4.455 1.00 0.00 H ATOM 238 N SER A 16 20.996 3.225 1.916 1.00 25.69 N ATOM 239 CA SER A 16 20.464 3.086 0.558 1.00 30.24 C ATOM 240 C SER A 16 20.174 1.658 0.113 1.00 33.07 C ATOM 241 O SER A 16 19.036 1.322 -0.218 1.00 34.07 O ATOM 242 CB SER A 16 21.421 3.733 -0.451 1.00 30.00 C ATOM 243 OG SER A 16 21.503 5.132 -0.257 1.00 29.39 O ATOM 244 HA SER A 16 19.500 3.595 0.586 1.00 0.00 H ATOM 245 HB2 SER A 16 21.061 3.535 -1.460 1.00 0.00 H ATOM 246 HB3 SER A 16 22.413 3.298 -0.329 1.00 0.00 H ATOM 247 HG SER A 16 21.835 5.318 0.657 1.00 0.00 H ATOM 248 H SER A 16 21.733 3.938 2.087 1.00 0.00 H ATOM 249 N THR A 17 21.206 0.824 0.091 1.00 35.00 N ATOM 250 CA THR A 17 21.051 -0.560 -0.332 1.00 37.13 C ATOM 251 C THR A 17 20.554 -1.448 0.802 1.00 39.23 C ATOM 252 O THR A 17 21.019 -1.347 1.938 1.00 39.97 O ATOM 253 CB THR A 17 22.379 -1.123 -0.867 1.00 37.14 C ATOM 254 OG1 THR A 17 22.206 -2.501 -1.224 1.00 37.71 O ATOM 255 CG2 THR A 17 23.472 -0.995 0.183 1.00 34.06 C ATOM 256 HA THR A 17 20.306 -0.562 -1.128 1.00 0.00 H ATOM 257 HB THR A 17 22.675 -0.553 -1.748 1.00 0.00 H ATOM 258 HG1 THR A 17 23.061 -2.861 -1.568 1.00 0.00 H ATOM 259 HG23 THR A 17 23.597 0.055 0.449 1.00 0.00 H ATOM 260 HG21 THR A 17 23.191 -1.565 1.069 1.00 0.00 H ATOM 261 HG22 THR A 17 24.408 -1.384 -0.219 1.00 0.00 H ATOM 262 H THR A 17 22.144 1.166 0.382 1.00 0.00 H ATOM 263 N SER A 18 19.598 -2.315 0.479 1.00 40.63 N ATOM 264 CA SER A 18 19.018 -3.230 1.453 1.00 41.39 C ATOM 265 C SER A 18 20.048 -4.267 1.866 1.00 41.45 C ATOM 266 O SER A 18 20.394 -4.388 3.043 1.00 41.68 O ATOM 267 CB SER A 18 17.798 -3.933 0.850 1.00 41.43 C ATOM 268 OG SER A 18 16.840 -2.990 0.402 1.00 42.47 O ATOM 269 HA SER A 18 18.708 -2.661 2.329 1.00 0.00 H ATOM 270 HB2 SER A 18 17.343 -4.571 1.607 1.00 0.00 H ATOM 271 HB3 SER A 18 18.119 -4.544 0.006 1.00 0.00 H ATOM 272 HG SER A 18 16.542 -2.435 1.166 1.00 0.00 H ATOM 273 H SER A 18 19.253 -2.340 -0.502 1.00 0.00 H ATOM 274 N ALA A 19 20.535 -5.011 0.880 1.00 41.70 N ATOM 275 CA ALA A 19 21.528 -6.047 1.111 1.00 40.76 C ATOM 276 C ALA A 19 21.854 -6.747 -0.201 1.00 39.73 C ATOM 277 O ALA A 19 21.712 -7.964 -0.314 1.00 41.36 O ATOM 278 CB ALA A 19 21.006 -7.058 2.129 1.00 41.69 C ATOM 279 HA ALA A 19 22.435 -5.589 1.507 1.00 0.00 H ATOM 280 HB1 ALA A 19 20.795 -6.549 3.069 1.00 0.00 H ATOM 281 HB2 ALA A 19 20.093 -7.516 1.749 1.00 0.00 H ATOM 282 HB3 ALA A 19 21.759 -7.829 2.293 1.00 0.00 H ATOM 283 H ALA A 19 20.195 -4.847 -0.089 1.00 0.00 H ATOM 284 N ALA A 20 22.294 -5.978 -1.193 1.00 36.85 N ATOM 285 CA ALA A 20 22.635 -6.545 -2.492 1.00 33.37 C ATOM 286 C ALA A 20 24.068 -6.209 -2.896 1.00 31.17 C ATOM 287 O ALA A 20 24.392 -6.171 -4.082 1.00 31.48 O ATOM 288 CB ALA A 20 21.660 -6.043 -3.551 1.00 33.82 C ATOM 289 HA ALA A 20 22.559 -7.630 -2.413 1.00 0.00 H ATOM 290 HB1 ALA A 20 20.647 -6.343 -3.282 1.00 0.00 H ATOM 291 HB2 ALA A 20 21.715 -4.956 -3.608 1.00 0.00 H ATOM 292 HB3 ALA A 20 21.923 -6.472 -4.518 1.00 0.00 H ATOM 293 H ALA A 20 22.397 -4.955 -1.039 1.00 0.00 H ATOM 294 N SER A 21 24.921 -5.968 -1.905 1.00 28.31 N ATOM 295 CA SER A 21 26.320 -5.634 -2.152 1.00 25.45 C ATOM 296 C SER A 21 26.950 -6.625 -3.119 1.00 24.63 C ATOM 297 O SER A 21 27.045 -7.816 -2.817 1.00 24.78 O ATOM 298 CB SER A 21 27.108 -5.652 -0.839 1.00 25.88 C ATOM 299 OG SER A 21 26.563 -4.745 0.098 1.00 24.50 O ATOM 300 HA SER A 21 26.353 -4.636 -2.589 1.00 0.00 H ATOM 301 HB2 SER A 21 28.143 -5.375 -1.041 1.00 0.00 H ATOM 302 HB3 SER A 21 27.078 -6.658 -0.420 1.00 0.00 H ATOM 303 HG SER A 21 25.624 -4.994 0.289 1.00 0.00 H ATOM 304 H SER A 21 24.581 -6.019 -0.924 1.00 0.00 H ATOM 305 N SER A 22 27.386 -6.136 -4.276 1.00 23.14 N ATOM 306 CA SER A 22 28.008 -7.001 -5.273 1.00 21.95 C ATOM 307 C SER A 22 29.434 -7.324 -4.860 1.00 21.66 C ATOM 308 O SER A 22 29.950 -6.778 -3.885 1.00 22.09 O ATOM 309 CB SER A 22 28.033 -6.321 -6.644 1.00 20.67 C ATOM 310 OG SER A 22 29.012 -5.298 -6.685 1.00 21.34 O ATOM 311 HA SER A 22 27.421 -7.917 -5.339 1.00 0.00 H ATOM 312 HB2 SER A 22 27.054 -5.886 -6.845 1.00 0.00 H ATOM 313 HB3 SER A 22 28.262 -7.065 -7.407 1.00 0.00 H ATOM 314 HG SER A 22 29.008 -4.875 -7.580 1.00 0.00 H ATOM 315 H SER A 22 27.282 -5.120 -4.474 1.00 0.00 H ATOM 316 N SER A 23 30.072 -8.211 -5.612 1.00 20.54 N ATOM 317 CA SER A 23 31.444 -8.592 -5.320 1.00 20.64 C ATOM 318 C SER A 23 32.375 -7.387 -5.444 1.00 20.42 C ATOM 319 O SER A 23 33.498 -7.413 -4.941 1.00 22.63 O ATOM 320 CB SER A 23 31.890 -9.712 -6.266 1.00 20.95 C ATOM 321 OG SER A 23 31.636 -9.371 -7.616 1.00 20.30 O ATOM 322 HA SER A 23 31.494 -8.957 -4.294 1.00 0.00 H ATOM 323 HB2 SER A 23 31.345 -10.624 -6.020 1.00 0.00 H ATOM 324 HB3 SER A 23 32.959 -9.883 -6.137 1.00 0.00 H ATOM 325 HG SER A 23 32.132 -8.546 -7.846 1.00 0.00 H ATOM 326 H SER A 23 29.583 -8.641 -6.423 1.00 0.00 H ATOM 327 N ASN A 24 31.900 -6.332 -6.103 1.00 21.34 N ATOM 328 CA ASN A 24 32.686 -5.115 -6.294 1.00 22.33 C ATOM 329 C ASN A 24 32.297 -4.019 -5.304 1.00 20.04 C ATOM 330 O ASN A 24 32.892 -2.945 -5.306 1.00 18.18 O ATOM 331 CB ASN A 24 32.489 -4.562 -7.710 1.00 26.74 C ATOM 332 CG ASN A 24 32.681 -5.611 -8.786 1.00 30.02 C ATOM 333 OD1 ASN A 24 33.719 -6.269 -8.855 1.00 35.19 O ATOM 334 ND2 ASN A 24 31.677 -5.764 -9.643 1.00 32.81 N ATOM 335 HA ASN A 24 33.727 -5.393 -6.130 1.00 0.00 H ATOM 336 HB2 ASN A 24 31.478 -4.163 -7.790 1.00 0.00 H ATOM 337 HB3 ASN A 24 33.209 -3.760 -7.874 1.00 0.00 H ATOM 338 HD22 ASN A 24 30.818 -5.186 -9.546 1.00 0.00 H ATOM 339 HD21 ASN A 24 31.750 -6.462 -10.410 1.00 0.00 H ATOM 340 H ASN A 24 30.938 -6.376 -6.495 1.00 0.00 H ATOM 341 N TYR A 25 31.302 -4.293 -4.463 1.00 18.61 N ATOM 342 CA TYR A 25 30.815 -3.306 -3.499 1.00 18.09 C ATOM 343 C TYR A 25 31.897 -2.613 -2.672 1.00 15.92 C ATOM 344 O TYR A 25 31.991 -1.384 -2.667 1.00 15.55 O ATOM 345 CB TYR A 25 29.796 -3.954 -2.554 1.00 17.26 C ATOM 346 CG TYR A 25 29.250 -3.017 -1.500 1.00 17.49 C ATOM 347 CD1 TYR A 25 28.195 -2.148 -1.783 1.00 17.28 C ATOM 348 CD2 TYR A 25 29.803 -2.986 -0.220 1.00 17.48 C ATOM 349 CE1 TYR A 25 27.702 -1.268 -0.811 1.00 17.72 C ATOM 350 CE2 TYR A 25 29.325 -2.115 0.752 1.00 17.31 C ATOM 351 CZ TYR A 25 28.276 -1.260 0.454 1.00 16.28 C ATOM 352 OH TYR A 25 27.805 -0.400 1.421 1.00 16.89 O ATOM 353 HA TYR A 25 30.358 -2.524 -4.105 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.279 -4.792 -2.051 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.961 -4.323 -3.150 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.626 -3.658 0.023 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.774 -2.105 1.745 1.00 0.00 H ATOM 358 HE1 TYR A 25 26.876 -0.596 -1.045 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.747 -2.154 -2.777 1.00 0.00 H ATOM 360 HH TYR A 25 27.061 0.137 1.049 1.00 0.00 H ATOM 361 H TYR A 25 30.859 -5.234 -4.492 1.00 0.00 H ATOM 362 N CYS A 26 32.709 -3.395 -1.972 1.00 15.28 N ATOM 363 CA CYS A 26 33.755 -2.824 -1.137 1.00 13.84 C ATOM 364 C CYS A 26 34.806 -2.048 -1.913 1.00 15.19 C ATOM 365 O CYS A 26 35.275 -1.014 -1.451 1.00 15.19 O ATOM 366 CB CYS A 26 34.411 -3.917 -0.309 1.00 11.58 C ATOM 367 SG CYS A 26 33.339 -4.549 1.023 1.00 14.48 S ATOM 368 HA CYS A 26 33.267 -2.099 -0.486 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.320 -3.515 0.139 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.668 -4.745 -0.969 1.00 0.00 H ATOM 371 H CYS A 26 32.597 -4.428 -2.021 1.00 0.00 H ATOM 372 N ASN A 27 35.179 -2.531 -3.092 1.00 16.51 N ATOM 373 CA ASN A 27 36.174 -1.813 -3.879 1.00 17.32 C ATOM 374 C ASN A 27 35.678 -0.413 -4.213 1.00 18.48 C ATOM 375 O ASN A 27 36.440 0.551 -4.164 1.00 20.15 O ATOM 376 CB ASN A 27 36.493 -2.560 -5.176 1.00 16.65 C ATOM 377 CG ASN A 27 37.227 -3.854 -4.931 1.00 17.64 C ATOM 378 OD1 ASN A 27 38.046 -3.948 -4.016 1.00 18.07 O ATOM 379 ND2 ASN A 27 36.957 -4.859 -5.759 1.00 20.25 N ATOM 380 HA ASN A 27 37.082 -1.744 -3.281 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.558 -2.780 -5.692 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.112 -1.920 -5.805 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.257 -4.734 -6.518 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.446 -5.770 -5.648 1.00 0.00 H ATOM 385 H ASN A 27 34.765 -3.415 -3.451 1.00 0.00 H ATOM 386 N GLN A 28 34.395 -0.310 -4.542 1.00 17.93 N ATOM 387 CA GLN A 28 33.782 0.968 -4.888 1.00 20.44 C ATOM 388 C GLN A 28 33.537 1.855 -3.669 1.00 19.17 C ATOM 389 O GLN A 28 33.900 3.029 -3.662 1.00 19.79 O ATOM 390 CB GLN A 28 32.446 0.737 -5.600 1.00 22.97 C ATOM 391 CG GLN A 28 32.549 0.101 -6.975 1.00 29.70 C ATOM 392 CD GLN A 28 31.184 -0.150 -7.590 1.00 32.87 C ATOM 393 OE1 GLN A 28 30.348 0.751 -7.661 1.00 36.68 O ATOM 394 NE2 GLN A 28 30.954 -1.379 -8.043 1.00 35.79 N ATOM 395 HA GLN A 28 34.486 1.481 -5.543 1.00 0.00 H ATOM 396 HB2 GLN A 28 31.837 0.087 -4.972 1.00 0.00 H ATOM 397 HB3 GLN A 28 31.951 1.702 -5.710 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.113 0.766 -7.629 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.075 -0.850 -6.885 1.00 0.00 H ATOM 400 HE22 GLN A 28 31.690 -2.109 -7.962 1.00 0.00 H ATOM 401 HE21 GLN A 28 30.038 -1.610 -8.478 1.00 0.00 H ATOM 402 H GLN A 28 33.808 -1.169 -4.553 1.00 0.00 H ATOM 403 N MET A 29 32.919 1.282 -2.640 1.00 18.77 N ATOM 404 CA MET A 29 32.593 2.022 -1.424 1.00 18.38 C ATOM 405 C MET A 29 33.783 2.494 -0.604 1.00 17.51 C ATOM 406 O MET A 29 33.792 3.625 -0.118 1.00 18.62 O ATOM 407 CB MET A 29 31.671 1.182 -0.546 1.00 16.15 C ATOM 408 CG MET A 29 30.273 1.029 -1.109 1.00 19.44 C ATOM 409 SD MET A 29 29.374 2.597 -1.098 1.00 23.95 S ATOM 410 CE MET A 29 28.908 2.702 0.628 1.00 20.81 C ATOM 411 HA MET A 29 32.103 2.933 -1.768 1.00 0.00 H ATOM 412 HB2 MET A 29 32.109 0.190 -0.435 1.00 0.00 H ATOM 413 HB3 MET A 29 31.599 1.657 0.432 1.00 0.00 H ATOM 414 HG2 MET A 29 29.726 0.304 -0.506 1.00 0.00 H ATOM 415 HG3 MET A 29 30.342 0.668 -2.135 1.00 0.00 H ATOM 416 HE1 MET A 29 28.291 1.842 0.889 1.00 0.00 H ATOM 417 HE2 MET A 29 29.806 2.708 1.246 1.00 0.00 H ATOM 418 HE3 MET A 29 28.344 3.620 0.796 1.00 0.00 H ATOM 419 H MET A 29 32.660 0.277 -2.703 1.00 0.00 H ATOM 420 N MET A 30 34.783 1.636 -0.433 1.00 17.16 N ATOM 421 CA MET A 30 35.957 2.027 0.336 1.00 17.06 C ATOM 422 C MET A 30 36.611 3.234 -0.327 1.00 17.80 C ATOM 423 O MET A 30 37.148 4.107 0.345 1.00 17.79 O ATOM 424 CB MET A 30 36.951 0.867 0.430 1.00 16.70 C ATOM 425 CG MET A 30 36.446 -0.312 1.260 1.00 13.54 C ATOM 426 SD MET A 30 36.123 0.116 2.994 1.00 14.14 S ATOM 427 CE MET A 30 37.818 0.219 3.631 1.00 14.85 C ATOM 428 HA MET A 30 35.651 2.290 1.348 1.00 0.00 H ATOM 429 HB2 MET A 30 37.162 0.512 -0.579 1.00 0.00 H ATOM 430 HB3 MET A 30 37.870 1.238 0.883 1.00 0.00 H ATOM 431 HG2 MET A 30 37.197 -1.102 1.232 1.00 0.00 H ATOM 432 HG3 MET A 30 35.520 -0.677 0.815 1.00 0.00 H ATOM 433 HE1 MET A 30 38.313 -0.743 3.501 1.00 0.00 H ATOM 434 HE2 MET A 30 38.365 0.987 3.083 1.00 0.00 H ATOM 435 HE3 MET A 30 37.792 0.475 4.690 1.00 0.00 H ATOM 436 H MET A 30 34.728 0.684 -0.849 1.00 0.00 H ATOM 437 N LYS A 31 36.550 3.281 -1.654 1.00 19.47 N ATOM 438 CA LYS A 31 37.131 4.390 -2.396 1.00 20.82 C ATOM 439 C LYS A 31 36.232 5.626 -2.333 1.00 19.57 C ATOM 440 O LYS A 31 36.696 6.723 -2.020 1.00 19.86 O ATOM 441 CB LYS A 31 37.353 3.984 -3.856 1.00 21.20 C ATOM 442 CG LYS A 31 37.904 5.096 -4.738 1.00 25.26 C ATOM 443 CD LYS A 31 38.013 4.639 -6.186 1.00 28.27 C ATOM 444 CE LYS A 31 38.448 5.776 -7.094 1.00 29.97 C ATOM 445 NZ LYS A 31 38.466 5.366 -8.530 1.00 32.02 N ATOM 446 HA LYS A 31 38.088 4.639 -1.939 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.056 3.152 -3.876 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.398 3.661 -4.270 1.00 0.00 H ATOM 449 HG2 LYS A 31 37.238 5.957 -4.685 1.00 0.00 H ATOM 450 HG3 LYS A 31 38.893 5.380 -4.378 1.00 0.00 H ATOM 451 HD2 LYS A 31 38.745 3.834 -6.250 1.00 0.00 H ATOM 452 HD3 LYS A 31 37.041 4.272 -6.517 1.00 0.00 H ATOM 453 HE2 LYS A 31 39.450 6.094 -6.805 1.00 0.00 H ATOM 454 HE3 LYS A 31 37.755 6.609 -6.974 1.00 0.00 H ATOM 455 HZ1 LYS A 31 39.130 4.576 -8.655 1.00 0.00 H ATOM 456 HZ2 LYS A 31 37.512 5.067 -8.816 1.00 0.00 H ATOM 457 HZ3 LYS A 31 38.768 6.171 -9.115 1.00 0.00 H ATOM 458 H LYS A 31 36.079 2.512 -2.171 1.00 0.00 H ATOM 459 N SER A 32 34.944 5.445 -2.618 1.00 19.38 N ATOM 460 CA SER A 32 34.001 6.559 -2.609 1.00 20.45 C ATOM 461 C SER A 32 33.857 7.251 -1.256 1.00 20.21 C ATOM 462 O SER A 32 33.624 8.460 -1.198 1.00 21.95 O ATOM 463 CB SER A 32 32.627 6.094 -3.105 1.00 22.49 C ATOM 464 OG SER A 32 32.201 4.924 -2.432 1.00 24.85 O ATOM 465 HA SER A 32 34.420 7.304 -3.285 1.00 0.00 H ATOM 466 HB2 SER A 32 32.687 5.886 -4.173 1.00 0.00 H ATOM 467 HB3 SER A 32 31.900 6.887 -2.931 1.00 0.00 H ATOM 468 HG SER A 32 32.854 4.197 -2.590 1.00 0.00 H ATOM 469 H SER A 32 34.603 4.491 -2.852 1.00 0.00 H ATOM 470 N ARG A 33 33.996 6.498 -0.169 1.00 18.41 N ATOM 471 CA ARG A 33 33.874 7.088 1.160 1.00 18.23 C ATOM 472 C ARG A 33 35.221 7.594 1.679 1.00 19.75 C ATOM 473 O ARG A 33 35.371 7.924 2.857 1.00 20.15 O ATOM 474 CB ARG A 33 33.256 6.079 2.136 1.00 16.26 C ATOM 475 CG ARG A 33 31.812 5.688 1.801 1.00 16.01 C ATOM 476 CD ARG A 33 30.888 6.899 1.735 1.00 14.23 C ATOM 477 NE ARG A 33 29.494 6.527 1.494 1.00 16.24 N ATOM 478 CZ ARG A 33 28.680 6.011 2.410 1.00 15.91 C ATOM 479 NH1 ARG A 33 29.116 5.803 3.646 1.00 15.79 N ATOM 480 NH2 ARG A 33 27.426 5.709 2.094 1.00 16.85 N ATOM 481 HA ARG A 33 33.212 7.951 1.084 1.00 0.00 H ATOM 482 HB2 ARG A 33 33.866 5.176 2.127 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.270 6.516 3.135 1.00 0.00 H ATOM 484 HG2 ARG A 33 31.800 5.184 0.835 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.445 5.008 2.569 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.221 7.550 0.927 1.00 0.00 H ATOM 487 HD3 ARG A 33 30.948 7.437 2.681 1.00 0.00 H ATOM 488 HE ARG A 33 29.112 6.677 0.538 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.478 5.399 4.361 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.096 6.044 3.899 1.00 0.00 H ATOM 491 HH22 ARG A 33 26.791 5.306 2.812 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.078 5.876 1.128 1.00 0.00 H ATOM 493 H ARG A 33 34.193 5.482 -0.267 1.00 0.00 H ATOM 494 N ASN A 34 36.199 7.645 0.781 1.00 20.81 N ATOM 495 CA ASN A 34 37.533 8.140 1.101 1.00 22.88 C ATOM 496 C ASN A 34 38.286 7.360 2.172 1.00 21.71 C ATOM 497 O ASN A 34 38.969 7.947 3.009 1.00 24.02 O ATOM 498 CB ASN A 34 37.441 9.613 1.504 1.00 25.95 C ATOM 499 CG ASN A 34 36.790 10.466 0.432 1.00 28.63 C ATOM 500 OD1 ASN A 34 37.290 10.561 -0.688 1.00 32.24 O ATOM 501 ND2 ASN A 34 35.663 11.086 0.768 1.00 31.13 N ATOM 502 HA ASN A 34 38.118 8.004 0.192 1.00 0.00 H ATOM 503 HB2 ASN A 34 36.853 9.690 2.418 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.447 9.989 1.688 1.00 0.00 H ATOM 505 HD22 ASN A 34 35.276 10.977 1.727 1.00 0.00 H ATOM 506 HD21 ASN A 34 35.169 11.680 0.072 1.00 0.00 H ATOM 507 H ASN A 34 36.006 7.319 -0.188 1.00 0.00 H ATOM 508 N LEU A 35 38.175 6.038 2.140 1.00 21.65 N ATOM 509 CA LEU A 35 38.869 5.211 3.115 1.00 22.06 C ATOM 510 C LEU A 35 40.106 4.573 2.492 1.00 21.98 C ATOM 511 O LEU A 35 40.682 3.638 3.045 1.00 23.04 O ATOM 512 CB LEU A 35 37.930 4.130 3.654 1.00 20.61 C ATOM 513 CG LEU A 35 36.615 4.661 4.233 1.00 20.53 C ATOM 514 CD1 LEU A 35 35.815 3.511 4.821 1.00 19.85 C ATOM 515 CD2 LEU A 35 36.905 5.713 5.298 1.00 21.94 C ATOM 516 HA LEU A 35 39.188 5.845 3.943 1.00 0.00 H ATOM 517 HB2 LEU A 35 37.692 3.448 2.838 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.453 3.586 4.440 1.00 0.00 H ATOM 519 HG LEU A 35 36.029 5.125 3.439 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.496 5.266 6.097 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.461 6.537 4.851 1.00 0.00 H ATOM 522 HD23 LEU A 35 35.965 6.085 5.705 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.599 2.783 4.039 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.394 3.035 5.613 1.00 0.00 H ATOM 525 HD13 LEU A 35 34.880 3.893 5.232 1.00 0.00 H ATOM 526 H LEU A 35 37.586 5.589 1.410 1.00 0.00 H ATOM 527 N THR A 36 40.508 5.092 1.336 1.00 24.76 N ATOM 528 CA THR A 36 41.683 4.589 0.632 1.00 26.48 C ATOM 529 C THR A 36 42.517 5.755 0.110 1.00 28.26 C ATOM 530 O THR A 36 43.241 5.617 -0.876 1.00 28.44 O ATOM 531 CB THR A 36 41.287 3.702 -0.568 1.00 25.95 C ATOM 532 OG1 THR A 36 40.573 4.487 -1.531 1.00 25.70 O ATOM 533 CG2 THR A 36 40.411 2.546 -0.109 1.00 27.30 C ATOM 534 HA THR A 36 42.257 3.993 1.342 1.00 0.00 H ATOM 535 HB THR A 36 42.194 3.300 -1.019 1.00 0.00 H ATOM 536 HG1 THR A 36 39.757 4.858 -1.112 1.00 0.00 H ATOM 537 HG23 THR A 36 40.954 1.949 0.624 1.00 0.00 H ATOM 538 HG21 THR A 36 39.501 2.939 0.344 1.00 0.00 H ATOM 539 HG22 THR A 36 40.153 1.925 -0.967 1.00 0.00 H ATOM 540 H THR A 36 39.969 5.879 0.921 1.00 0.00 H ATOM 541 N LYS A 37 42.417 6.898 0.781 1.00 30.25 N ATOM 542 CA LYS A 37 43.150 8.092 0.374 1.00 32.17 C ATOM 543 C LYS A 37 44.627 8.052 0.751 1.00 32.40 C ATOM 544 O LYS A 37 45.495 8.110 -0.119 1.00 33.23 O ATOM 545 CB LYS A 37 42.503 9.339 0.983 1.00 32.97 C ATOM 546 CG LYS A 37 43.153 10.644 0.552 1.00 35.39 C ATOM 547 CD LYS A 37 42.406 11.848 1.100 1.00 37.28 C ATOM 548 CE LYS A 37 43.049 13.148 0.642 1.00 38.19 C ATOM 549 NZ LYS A 37 42.308 14.340 1.140 1.00 38.44 N ATOM 550 HA LYS A 37 43.099 8.128 -0.714 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.455 9.363 0.685 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.569 9.265 2.068 1.00 0.00 H ATOM 553 HG2 LYS A 37 44.179 10.667 0.919 1.00 0.00 H ATOM 554 HG3 LYS A 37 43.157 10.695 -0.537 1.00 0.00 H ATOM 555 HD2 LYS A 37 41.375 11.818 0.748 1.00 0.00 H ATOM 556 HD3 LYS A 37 42.418 11.809 2.189 1.00 0.00 H ATOM 557 HE2 LYS A 37 43.062 13.170 -0.448 1.00 0.00 H ATOM 558 HE3 LYS A 37 44.072 13.187 1.017 1.00 0.00 H ATOM 559 HZ1 LYS A 37 41.332 14.315 0.781 1.00 0.00 H ATOM 560 HZ2 LYS A 37 42.297 14.330 2.180 1.00 0.00 H ATOM 561 HZ3 LYS A 37 42.779 15.204 0.805 1.00 0.00 H ATOM 562 H LYS A 37 41.801 6.942 1.617 1.00 0.00 H ATOM 563 N ASP A 38 44.911 7.958 2.046 1.00 32.07 N ATOM 564 CA ASP A 38 46.289 7.924 2.522 1.00 32.93 C ATOM 565 C ASP A 38 46.871 6.519 2.442 1.00 32.14 C ATOM 566 O ASP A 38 48.074 6.344 2.246 1.00 32.55 O ATOM 567 CB ASP A 38 46.363 8.434 3.963 1.00 35.06 C ATOM 568 CG ASP A 38 45.826 9.846 4.109 1.00 37.79 C ATOM 569 OD1 ASP A 38 46.185 10.707 3.278 1.00 39.25 O ATOM 570 OD2 ASP A 38 45.053 10.096 5.059 1.00 38.33 O ATOM 571 HA ASP A 38 46.880 8.574 1.876 1.00 0.00 H ATOM 572 HB2 ASP A 38 45.778 7.770 4.599 1.00 0.00 H ATOM 573 HB3 ASP A 38 47.404 8.421 4.286 1.00 0.00 H ATOM 574 H ASP A 38 44.134 7.908 2.735 1.00 0.00 H ATOM 575 N ARG A 39 46.005 5.525 2.602 1.00 30.11 N ATOM 576 CA ARG A 39 46.396 4.122 2.540 1.00 29.05 C ATOM 577 C ARG A 39 45.120 3.309 2.397 1.00 27.37 C ATOM 578 O ARG A 39 44.025 3.868 2.360 1.00 27.61 O ATOM 579 CB ARG A 39 47.108 3.695 3.823 1.00 29.19 C ATOM 580 CG ARG A 39 46.217 3.762 5.050 1.00 31.33 C ATOM 581 CD ARG A 39 46.634 2.761 6.111 1.00 31.88 C ATOM 582 NE ARG A 39 45.708 2.772 7.240 1.00 33.04 N ATOM 583 CZ ARG A 39 45.691 1.859 8.206 1.00 33.65 C ATOM 584 NH1 ARG A 39 44.810 1.956 9.194 1.00 32.83 N ATOM 585 NH2 ARG A 39 46.549 0.847 8.183 1.00 34.87 N ATOM 586 HA ARG A 39 47.077 3.965 1.704 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.455 2.669 3.702 1.00 0.00 H ATOM 588 HB3 ARG A 39 47.964 4.351 3.980 1.00 0.00 H ATOM 589 HG2 ARG A 39 46.273 4.766 5.471 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.190 3.551 4.751 1.00 0.00 H ATOM 591 HD2 ARG A 39 47.632 3.015 6.467 1.00 0.00 H ATOM 592 HD3 ARG A 39 46.649 1.763 5.673 1.00 0.00 H ATOM 593 HE ARG A 39 45.015 3.546 7.292 1.00 0.00 H ATOM 594 HH12 ARG A 39 44.796 1.242 9.950 1.00 0.00 H ATOM 595 HH11 ARG A 39 44.134 2.746 9.212 1.00 0.00 H ATOM 596 HH22 ARG A 39 46.533 0.134 8.940 1.00 0.00 H ATOM 597 HH21 ARG A 39 47.237 0.766 7.408 1.00 0.00 H ATOM 598 H ARG A 39 45.007 5.757 2.779 1.00 0.00 H ATOM 599 N CYS A 40 45.258 1.993 2.312 1.00 24.74 N ATOM 600 CA CYS A 40 44.087 1.136 2.200 1.00 22.63 C ATOM 601 C CYS A 40 43.636 0.760 3.606 1.00 21.91 C ATOM 602 O CYS A 40 44.346 0.043 4.304 1.00 21.12 O ATOM 603 CB CYS A 40 44.418 -0.152 1.440 1.00 21.96 C ATOM 604 SG CYS A 40 45.099 0.031 -0.240 1.00 23.10 S ATOM 605 HA CYS A 40 43.308 1.672 1.659 1.00 0.00 H ATOM 606 HB2 CYS A 40 43.499 -0.733 1.361 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.147 -0.706 2.032 1.00 0.00 H ATOM 608 H CYS A 40 46.208 1.571 2.325 1.00 0.00 H ATOM 609 N LYS A 41 42.472 1.240 4.037 1.00 20.34 N ATOM 610 CA LYS A 41 42.001 0.868 5.368 1.00 19.90 C ATOM 611 C LYS A 41 41.835 -0.652 5.322 1.00 20.06 C ATOM 612 O LYS A 41 41.101 -1.177 4.488 1.00 18.73 O ATOM 613 CB LYS A 41 40.666 1.539 5.693 1.00 18.32 C ATOM 614 CG LYS A 41 40.275 1.390 7.156 1.00 18.16 C ATOM 615 CD LYS A 41 38.955 2.066 7.487 1.00 16.71 C ATOM 616 CE LYS A 41 38.631 1.884 8.967 1.00 16.55 C ATOM 617 NZ LYS A 41 37.334 2.503 9.361 1.00 18.28 N ATOM 618 HA LYS A 41 42.700 1.186 6.141 1.00 0.00 H ATOM 619 HB2 LYS A 41 40.743 2.601 5.459 1.00 0.00 H ATOM 620 HB3 LYS A 41 39.889 1.087 5.076 1.00 0.00 H ATOM 621 HG2 LYS A 41 40.190 0.328 7.387 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.057 1.833 7.772 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.028 3.130 7.261 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.161 1.622 6.886 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.427 2.341 9.556 1.00 0.00 H ATOM 626 HE3 LYS A 41 38.587 0.817 9.184 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.366 3.524 9.168 1.00 0.00 H ATOM 628 HZ2 LYS A 41 36.564 2.069 8.813 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.170 2.346 10.376 1.00 0.00 H ATOM 630 H LYS A 41 41.906 1.871 3.434 1.00 0.00 H ATOM 631 N PRO A 42 42.523 -1.380 6.215 1.00 19.47 N ATOM 632 CA PRO A 42 42.473 -2.845 6.280 1.00 19.72 C ATOM 633 C PRO A 42 41.092 -3.495 6.353 1.00 19.52 C ATOM 634 O PRO A 42 40.777 -4.397 5.576 1.00 20.10 O ATOM 635 CB PRO A 42 43.323 -3.161 7.508 1.00 22.00 C ATOM 636 CG PRO A 42 44.318 -2.046 7.515 1.00 22.35 C ATOM 637 CD PRO A 42 43.441 -0.850 7.239 1.00 21.16 C ATOM 638 HA PRO A 42 42.836 -3.269 5.344 1.00 0.00 H ATOM 639 HD3 PRO A 42 42.901 -0.538 8.133 1.00 0.00 H ATOM 640 HD2 PRO A 42 44.022 -0.011 6.856 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.068 -2.178 6.735 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.813 -1.961 8.482 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.720 -3.156 8.416 1.00 0.00 H ATOM 644 HB3 PRO A 42 43.816 -4.128 7.407 1.00 0.00 H ATOM 645 N VAL A 43 40.275 -3.052 7.300 1.00 18.08 N ATOM 646 CA VAL A 43 38.943 -3.619 7.465 1.00 18.12 C ATOM 647 C VAL A 43 37.933 -2.532 7.796 1.00 16.20 C ATOM 648 O VAL A 43 38.236 -1.580 8.516 1.00 17.82 O ATOM 649 CB VAL A 43 38.917 -4.680 8.594 1.00 20.00 C ATOM 650 CG1 VAL A 43 39.922 -5.790 8.300 1.00 21.88 C ATOM 651 CG2 VAL A 43 39.226 -4.026 9.923 1.00 21.78 C ATOM 652 HA VAL A 43 38.679 -4.095 6.520 1.00 0.00 H ATOM 653 HB VAL A 43 37.921 -5.121 8.643 1.00 0.00 H ATOM 654 HG11 VAL A 43 39.666 -6.269 7.355 1.00 0.00 H ATOM 655 HG12 VAL A 43 40.923 -5.364 8.234 1.00 0.00 H ATOM 656 HG13 VAL A 43 39.892 -6.527 9.102 1.00 0.00 H ATOM 657 HG21 VAL A 43 40.215 -3.570 9.881 1.00 0.00 H ATOM 658 HG22 VAL A 43 38.479 -3.260 10.132 1.00 0.00 H ATOM 659 HG23 VAL A 43 39.206 -4.779 10.711 1.00 0.00 H ATOM 660 H VAL A 43 40.590 -2.289 7.933 1.00 0.00 H ATOM 661 N ASN A 44 36.725 -2.673 7.266 1.00 15.46 N ATOM 662 CA ASN A 44 35.690 -1.688 7.518 1.00 12.88 C ATOM 663 C ASN A 44 34.328 -2.302 7.285 1.00 14.09 C ATOM 664 O ASN A 44 34.149 -3.103 6.372 1.00 15.31 O ATOM 665 CB ASN A 44 35.861 -0.493 6.589 1.00 13.22 C ATOM 666 CG ASN A 44 34.951 0.653 6.952 1.00 14.71 C ATOM 667 OD1 ASN A 44 35.172 1.342 7.951 1.00 15.30 O ATOM 668 ND2 ASN A 44 33.914 0.866 6.148 1.00 14.12 N ATOM 669 HA ASN A 44 35.773 -1.356 8.553 1.00 0.00 H ATOM 670 HB2 ASN A 44 36.894 -0.151 6.645 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.638 -0.807 5.569 1.00 0.00 H ATOM 672 HD22 ASN A 44 33.767 0.259 5.316 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.249 1.640 6.351 1.00 0.00 H ATOM 674 H ASN A 44 36.518 -3.496 6.665 1.00 0.00 H ATOM 675 N THR A 45 33.364 -1.913 8.110 1.00 12.73 N ATOM 676 CA THR A 45 32.012 -2.434 7.990 1.00 11.90 C ATOM 677 C THR A 45 31.004 -1.339 7.661 1.00 11.02 C ATOM 678 O THR A 45 31.082 -0.232 8.188 1.00 12.20 O ATOM 679 CB THR A 45 31.579 -3.123 9.298 1.00 11.26 C ATOM 680 OG1 THR A 45 32.443 -4.236 9.556 1.00 14.14 O ATOM 681 CG2 THR A 45 30.138 -3.602 9.203 1.00 14.24 C ATOM 682 HA THR A 45 32.026 -3.154 7.172 1.00 0.00 H ATOM 683 HB THR A 45 31.649 -2.404 10.114 1.00 0.00 H ATOM 684 HG1 THR A 45 32.383 -4.880 8.806 1.00 0.00 H ATOM 685 HG23 THR A 45 29.486 -2.751 9.007 1.00 0.00 H ATOM 686 HG21 THR A 45 30.049 -4.324 8.391 1.00 0.00 H ATOM 687 HG22 THR A 45 29.850 -4.073 10.143 1.00 0.00 H ATOM 688 H THR A 45 33.580 -1.222 8.857 1.00 0.00 H ATOM 689 N PHE A 46 30.067 -1.659 6.773 1.00 11.23 N ATOM 690 CA PHE A 46 29.011 -0.734 6.385 1.00 11.30 C ATOM 691 C PHE A 46 27.702 -1.324 6.896 1.00 10.84 C ATOM 692 O PHE A 46 27.483 -2.534 6.803 1.00 12.91 O ATOM 693 CB PHE A 46 28.961 -0.579 4.856 1.00 11.66 C ATOM 694 CG PHE A 46 30.095 0.227 4.294 1.00 14.03 C ATOM 695 CD1 PHE A 46 30.100 1.612 4.400 1.00 14.32 C ATOM 696 CD2 PHE A 46 31.166 -0.401 3.676 1.00 13.43 C ATOM 697 CE1 PHE A 46 31.159 2.363 3.895 1.00 13.62 C ATOM 698 CE2 PHE A 46 32.234 0.342 3.165 1.00 15.17 C ATOM 699 CZ PHE A 46 32.228 1.725 3.275 1.00 15.52 C ATOM 700 HA PHE A 46 29.190 0.255 6.807 1.00 0.00 H ATOM 701 HB2 PHE A 46 28.989 -1.572 4.408 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.025 -0.088 4.590 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.175 -1.487 3.588 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.070 -0.164 2.681 1.00 0.00 H ATOM 705 HZ PHE A 46 33.058 2.309 2.877 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.150 3.449 3.986 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.265 2.118 4.884 1.00 0.00 H ATOM 708 H PHE A 46 30.089 -2.604 6.340 1.00 0.00 H ATOM 709 N VAL A 47 26.850 -0.472 7.456 1.00 10.88 N ATOM 710 CA VAL A 47 25.561 -0.908 7.987 1.00 12.52 C ATOM 711 C VAL A 47 24.448 -0.383 7.082 1.00 12.46 C ATOM 712 O VAL A 47 24.410 0.800 6.758 1.00 13.22 O ATOM 713 CB VAL A 47 25.369 -0.392 9.422 1.00 10.88 C ATOM 714 CG1 VAL A 47 24.042 -0.889 9.983 1.00 14.32 C ATOM 715 CG2 VAL A 47 26.526 -0.857 10.293 1.00 14.03 C ATOM 716 HA VAL A 47 25.529 -1.997 8.012 1.00 0.00 H ATOM 717 HB VAL A 47 25.352 0.698 9.414 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.226 -0.525 9.359 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.037 -1.979 9.990 1.00 0.00 H ATOM 720 HG13 VAL A 47 23.917 -0.517 11.000 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.558 -1.947 10.301 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.461 -0.468 9.891 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.385 -0.489 11.309 1.00 0.00 H ATOM 724 H VAL A 47 27.108 0.534 7.518 1.00 0.00 H ATOM 725 N HIS A 48 23.529 -1.265 6.700 1.00 13.19 N ATOM 726 CA HIS A 48 22.457 -0.886 5.785 1.00 15.51 C ATOM 727 C HIS A 48 21.118 -0.489 6.393 1.00 16.42 C ATOM 728 O HIS A 48 20.159 -0.206 5.671 1.00 18.87 O ATOM 729 CB HIS A 48 22.267 -2.010 4.773 1.00 14.52 C ATOM 730 CG HIS A 48 23.538 -2.410 4.092 1.00 14.93 C ATOM 731 ND1 HIS A 48 24.299 -1.521 3.363 1.00 14.02 N ATOM 732 CD2 HIS A 48 24.193 -3.593 4.046 1.00 13.93 C ATOM 733 CE1 HIS A 48 25.370 -2.141 2.899 1.00 15.04 C ATOM 734 NE2 HIS A 48 25.328 -3.399 3.298 1.00 13.80 N ATOM 735 HA HIS A 48 22.797 0.043 5.328 1.00 0.00 H ATOM 736 HB2 HIS A 48 21.863 -2.879 5.292 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.557 -1.678 4.015 1.00 0.00 H ATOM 738 HD2 HIS A 48 23.879 -4.525 4.515 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.154 -1.691 2.291 1.00 0.00 H ATOM 740 H HIS A 48 23.575 -2.240 7.059 1.00 0.00 H ATOM 741 N GLU A 49 21.051 -0.455 7.715 1.00 16.56 N ATOM 742 CA GLU A 49 19.824 -0.067 8.391 1.00 15.27 C ATOM 743 C GLU A 49 19.731 1.458 8.376 1.00 15.16 C ATOM 744 O GLU A 49 20.668 2.146 7.961 1.00 14.88 O ATOM 745 CB GLU A 49 19.838 -0.563 9.839 1.00 16.45 C ATOM 746 CG GLU A 49 20.033 -2.061 10.016 1.00 14.60 C ATOM 747 CD GLU A 49 18.936 -2.899 9.385 1.00 14.85 C ATOM 748 OE1 GLU A 49 17.806 -2.391 9.219 1.00 19.07 O ATOM 749 OE2 GLU A 49 19.200 -4.079 9.068 1.00 16.28 O ATOM 750 HA GLU A 49 18.967 -0.507 7.881 1.00 0.00 H ATOM 751 HB2 GLU A 49 20.649 -0.055 10.361 1.00 0.00 H ATOM 752 HB3 GLU A 49 18.887 -0.291 10.297 1.00 0.00 H ATOM 753 HG2 GLU A 49 20.984 -2.340 9.562 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.063 -2.280 11.083 1.00 0.00 H ATOM 755 H GLU A 49 21.888 -0.709 8.278 1.00 0.00 H ATOM 756 N SER A 50 18.600 1.991 8.824 1.00 14.46 N ATOM 757 CA SER A 50 18.417 3.435 8.858 1.00 15.93 C ATOM 758 C SER A 50 19.328 4.071 9.899 1.00 15.50 C ATOM 759 O SER A 50 19.764 3.410 10.843 1.00 15.49 O ATOM 760 CB SER A 50 16.967 3.774 9.189 1.00 16.45 C ATOM 761 OG SER A 50 16.617 3.263 10.464 1.00 19.64 O ATOM 762 HA SER A 50 18.671 3.830 7.874 1.00 0.00 H ATOM 763 HB2 SER A 50 16.314 3.335 8.435 1.00 0.00 H ATOM 764 HB3 SER A 50 16.842 4.857 9.190 1.00 0.00 H ATOM 765 HG SER A 50 15.674 3.492 10.662 1.00 0.00 H ATOM 766 H SER A 50 17.835 1.369 9.155 1.00 0.00 H ATOM 767 N LEU A 51 19.616 5.354 9.724 1.00 16.38 N ATOM 768 CA LEU A 51 20.462 6.074 10.665 1.00 15.76 C ATOM 769 C LEU A 51 19.793 6.054 12.033 1.00 16.24 C ATOM 770 O LEU A 51 20.455 5.904 13.056 1.00 15.27 O ATOM 771 CB LEU A 51 20.659 7.525 10.216 1.00 19.06 C ATOM 772 CG LEU A 51 21.477 8.397 11.175 1.00 16.89 C ATOM 773 CD1 LEU A 51 22.877 7.818 11.333 1.00 18.13 C ATOM 774 CD2 LEU A 51 21.550 9.818 10.644 1.00 21.09 C ATOM 775 HA LEU A 51 21.439 5.592 10.710 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.167 7.514 9.252 1.00 0.00 H ATOM 777 HB3 LEU A 51 19.675 7.980 10.101 1.00 0.00 H ATOM 778 HG LEU A 51 20.992 8.412 12.151 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.027 9.814 9.664 1.00 0.00 H ATOM 780 HD22 LEU A 51 20.542 10.224 10.557 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.133 10.432 11.331 1.00 0.00 H ATOM 782 HD11 LEU A 51 22.808 6.807 11.735 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.369 7.791 10.361 1.00 0.00 H ATOM 784 HD13 LEU A 51 23.452 8.443 12.016 1.00 0.00 H ATOM 785 H LEU A 51 19.230 5.855 8.899 1.00 0.00 H ATOM 786 N ALA A 52 18.473 6.200 12.040 1.00 16.08 N ATOM 787 CA ALA A 52 17.723 6.201 13.287 1.00 17.04 C ATOM 788 C ALA A 52 17.909 4.888 14.039 1.00 16.69 C ATOM 789 O ALA A 52 18.093 4.888 15.256 1.00 17.83 O ATOM 790 CB ALA A 52 16.245 6.445 13.012 1.00 19.56 C ATOM 791 HA ALA A 52 18.106 7.007 13.912 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.123 7.410 12.521 1.00 0.00 H ATOM 793 HB2 ALA A 52 15.862 5.656 12.365 1.00 0.00 H ATOM 794 HB3 ALA A 52 15.696 6.443 13.954 1.00 0.00 H ATOM 795 H ALA A 52 17.967 6.316 11.139 1.00 0.00 H ATOM 796 N ASP A 53 17.865 3.767 13.325 1.00 16.28 N ATOM 797 CA ASP A 53 18.035 2.475 13.984 1.00 15.78 C ATOM 798 C ASP A 53 19.440 2.282 14.534 1.00 15.71 C ATOM 799 O ASP A 53 19.612 1.707 15.605 1.00 15.42 O ATOM 800 CB ASP A 53 17.695 1.323 13.038 1.00 17.86 C ATOM 801 CG ASP A 53 16.203 1.142 12.857 1.00 17.49 C ATOM 802 OD1 ASP A 53 15.433 1.792 13.598 1.00 21.36 O ATOM 803 OD2 ASP A 53 15.801 0.342 11.985 1.00 21.06 O ATOM 804 HA ASP A 53 17.341 2.470 14.825 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.143 1.525 12.065 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.112 0.402 13.445 1.00 0.00 H ATOM 807 H ASP A 53 17.710 3.810 12.298 1.00 0.00 H ATOM 808 N VAL A 54 20.445 2.752 13.805 1.00 14.72 N ATOM 809 CA VAL A 54 21.822 2.608 14.263 1.00 13.19 C ATOM 810 C VAL A 54 22.101 3.541 15.444 1.00 14.40 C ATOM 811 O VAL A 54 22.759 3.152 16.413 1.00 14.27 O ATOM 812 CB VAL A 54 22.810 2.877 13.102 1.00 11.68 C ATOM 813 CG1 VAL A 54 24.249 2.824 13.609 1.00 14.31 C ATOM 814 CG2 VAL A 54 22.603 1.836 12.015 1.00 14.33 C ATOM 815 HA VAL A 54 21.966 1.582 14.603 1.00 0.00 H ATOM 816 HB VAL A 54 22.623 3.871 12.694 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.389 3.582 14.380 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.450 1.837 14.027 1.00 0.00 H ATOM 819 HG13 VAL A 54 24.932 3.015 12.781 1.00 0.00 H ATOM 820 HG21 VAL A 54 22.784 0.843 12.426 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.579 1.897 11.645 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.298 2.024 11.197 1.00 0.00 H ATOM 823 H VAL A 54 20.249 3.226 12.901 1.00 0.00 H ATOM 824 N GLN A 55 21.587 4.766 15.380 1.00 14.95 N ATOM 825 CA GLN A 55 21.788 5.717 16.465 1.00 14.52 C ATOM 826 C GLN A 55 21.123 5.197 17.740 1.00 15.06 C ATOM 827 O GLN A 55 21.595 5.453 18.850 1.00 16.06 O ATOM 828 CB GLN A 55 21.204 7.082 16.087 1.00 15.98 C ATOM 829 CG GLN A 55 22.036 7.839 15.061 1.00 13.81 C ATOM 830 CD GLN A 55 21.392 9.142 14.618 1.00 16.46 C ATOM 831 OE1 GLN A 55 22.082 10.078 14.209 1.00 19.24 O ATOM 832 NE2 GLN A 55 20.068 9.202 14.683 1.00 17.54 N ATOM 833 HA GLN A 55 22.857 5.831 16.642 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.206 6.928 15.676 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.134 7.689 16.990 1.00 0.00 H ATOM 836 HG2 GLN A 55 23.008 8.063 15.499 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.171 7.203 14.186 1.00 0.00 H ATOM 838 HE22 GLN A 55 19.527 8.387 15.035 1.00 0.00 H ATOM 839 HE21 GLN A 55 19.571 10.064 14.382 1.00 0.00 H ATOM 840 H GLN A 55 21.035 5.048 14.545 1.00 0.00 H ATOM 841 N ALA A 56 20.036 4.455 17.568 1.00 14.53 N ATOM 842 CA ALA A 56 19.298 3.906 18.702 1.00 14.53 C ATOM 843 C ALA A 56 20.122 2.885 19.474 1.00 13.79 C ATOM 844 O ALA A 56 19.850 2.619 20.644 1.00 14.41 O ATOM 845 CB ALA A 56 18.002 3.264 18.221 1.00 14.69 C ATOM 846 HA ALA A 56 19.071 4.732 19.377 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.389 4.015 17.724 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.234 2.461 17.521 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.460 2.858 19.075 1.00 0.00 H ATOM 850 H ALA A 56 19.702 4.260 16.603 1.00 0.00 H ATOM 851 N VAL A 57 21.124 2.304 18.827 1.00 11.71 N ATOM 852 CA VAL A 57 21.947 1.308 19.495 1.00 12.21 C ATOM 853 C VAL A 57 22.663 1.899 20.710 1.00 12.82 C ATOM 854 O VAL A 57 22.962 1.178 21.664 1.00 12.95 O ATOM 855 CB VAL A 57 22.967 0.680 18.507 1.00 10.59 C ATOM 856 CG1 VAL A 57 23.855 -0.339 19.223 1.00 9.29 C ATOM 857 CG2 VAL A 57 22.219 -0.007 17.376 1.00 12.65 C ATOM 858 HA VAL A 57 21.285 0.519 19.851 1.00 0.00 H ATOM 859 HB VAL A 57 23.599 1.473 18.107 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.400 0.157 20.026 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.233 -1.131 19.640 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.562 -0.766 18.512 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.581 -0.789 17.787 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.606 0.725 16.850 1.00 0.00 H ATOM 865 HG23 VAL A 57 22.936 -0.448 16.683 1.00 0.00 H ATOM 866 H VAL A 57 21.322 2.562 17.839 1.00 0.00 H ATOM 867 N CYS A 58 22.908 3.207 20.696 1.00 12.81 N ATOM 868 CA CYS A 58 23.584 3.858 21.816 1.00 12.74 C ATOM 869 C CYS A 58 22.792 3.777 23.114 1.00 13.14 C ATOM 870 O CYS A 58 23.306 4.130 24.176 1.00 15.07 O ATOM 871 CB CYS A 58 23.870 5.325 21.502 1.00 13.92 C ATOM 872 SG CYS A 58 25.077 5.565 20.162 1.00 13.67 S ATOM 873 HA CYS A 58 24.519 3.315 21.957 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.257 5.801 22.403 1.00 0.00 H ATOM 875 HB3 CYS A 58 22.935 5.804 21.213 1.00 0.00 H ATOM 876 H CYS A 58 22.614 3.774 19.876 1.00 0.00 H ATOM 877 N SER A 59 21.547 3.319 23.025 1.00 13.13 N ATOM 878 CA SER A 59 20.695 3.190 24.207 1.00 14.49 C ATOM 879 C SER A 59 20.315 1.730 24.420 1.00 15.33 C ATOM 880 O SER A 59 19.394 1.431 25.184 1.00 16.47 O ATOM 881 CB SER A 59 19.416 4.012 24.032 1.00 16.21 C ATOM 882 OG SER A 59 18.538 3.388 23.106 1.00 22.95 O ATOM 883 HA SER A 59 21.250 3.557 25.070 1.00 0.00 H ATOM 884 HB2 SER A 59 19.676 5.005 23.665 1.00 0.00 H ATOM 885 HB3 SER A 59 18.914 4.102 24.995 1.00 0.00 H ATOM 886 HG SER A 59 18.989 3.308 22.228 1.00 0.00 H ATOM 887 H SER A 59 21.171 3.046 22.095 1.00 0.00 H ATOM 888 N GLN A 60 21.024 0.820 23.755 1.00 12.19 N ATOM 889 CA GLN A 60 20.725 -0.596 23.870 1.00 12.40 C ATOM 890 C GLN A 60 21.652 -1.371 24.820 1.00 11.80 C ATOM 891 O GLN A 60 21.969 -0.857 25.892 1.00 14.63 O ATOM 892 CB GLN A 60 20.638 -1.199 22.459 1.00 13.82 C ATOM 893 CG GLN A 60 19.343 -0.723 21.766 1.00 13.57 C ATOM 894 CD GLN A 60 19.235 -1.071 20.292 1.00 12.19 C ATOM 895 OE1 GLN A 60 19.680 -2.122 19.849 1.00 13.04 O ATOM 896 NE2 GLN A 60 18.603 -0.181 19.529 1.00 16.14 N ATOM 897 HA GLN A 60 19.756 -0.697 24.358 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.500 -0.879 21.874 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.632 -2.287 22.530 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.497 -1.176 22.283 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.287 0.361 21.862 1.00 0.00 H ATOM 902 HE22 GLN A 60 18.241 0.699 19.948 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.471 -0.366 18.514 1.00 0.00 H ATOM 904 H GLN A 60 21.806 1.129 23.142 1.00 0.00 H ATOM 905 N LYS A 61 22.085 -2.579 24.463 1.00 12.95 N ATOM 906 CA LYS A 61 22.914 -3.369 25.385 1.00 12.83 C ATOM 907 C LYS A 61 24.356 -2.905 25.600 1.00 12.86 C ATOM 908 O LYS A 61 25.201 -3.026 24.717 1.00 12.85 O ATOM 909 CB LYS A 61 22.923 -4.841 24.961 1.00 14.51 C ATOM 910 CG LYS A 61 23.614 -5.767 25.953 1.00 17.94 C ATOM 911 CD LYS A 61 23.544 -7.213 25.494 1.00 23.25 C ATOM 912 CE LYS A 61 24.243 -8.143 26.469 1.00 26.78 C ATOM 913 NZ LYS A 61 25.684 -7.805 26.622 1.00 29.68 N ATOM 914 HA LYS A 61 22.428 -3.217 26.349 1.00 0.00 H ATOM 915 HB2 LYS A 61 21.891 -5.171 24.845 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.437 -4.919 24.003 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.660 -5.473 26.046 1.00 0.00 H ATOM 918 HG3 LYS A 61 23.126 -5.677 26.923 1.00 0.00 H ATOM 919 HD2 LYS A 61 22.498 -7.508 25.411 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.022 -7.298 24.518 1.00 0.00 H ATOM 921 HE2 LYS A 61 24.158 -9.166 26.103 1.00 0.00 H ATOM 922 HE3 LYS A 61 23.757 -8.064 27.442 1.00 0.00 H ATOM 923 HZ1 LYS A 61 26.157 -7.884 25.699 1.00 0.00 H ATOM 924 HZ2 LYS A 61 25.775 -6.832 26.977 1.00 0.00 H ATOM 925 HZ3 LYS A 61 26.124 -8.464 27.296 1.00 0.00 H ATOM 926 H LYS A 61 21.836 -2.964 23.530 1.00 0.00 H ATOM 927 N ASN A 62 24.630 -2.396 26.796 1.00 11.15 N ATOM 928 CA ASN A 62 25.963 -1.916 27.158 1.00 10.12 C ATOM 929 C ASN A 62 26.921 -3.101 27.290 1.00 10.41 C ATOM 930 O ASN A 62 26.690 -4.012 28.089 1.00 12.72 O ATOM 931 CB ASN A 62 25.886 -1.165 28.492 1.00 10.75 C ATOM 932 CG ASN A 62 27.144 -0.359 28.805 1.00 12.83 C ATOM 933 OD1 ASN A 62 27.387 -0.017 29.963 1.00 15.02 O ATOM 934 ND2 ASN A 62 27.930 -0.033 27.783 1.00 13.63 N ATOM 935 HA ASN A 62 26.330 -1.245 26.382 1.00 0.00 H ATOM 936 HB2 ASN A 62 25.037 -0.482 28.456 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.733 -1.892 29.290 1.00 0.00 H ATOM 938 HD22 ASN A 62 27.687 -0.343 26.821 1.00 0.00 H ATOM 939 HD21 ASN A 62 28.788 0.532 27.946 1.00 0.00 H ATOM 940 H ASN A 62 23.868 -2.337 27.501 1.00 0.00 H ATOM 941 N VAL A 63 27.989 -3.091 26.499 1.00 10.17 N ATOM 942 CA VAL A 63 28.986 -4.154 26.547 1.00 11.40 C ATOM 943 C VAL A 63 30.370 -3.526 26.527 1.00 11.94 C ATOM 944 O VAL A 63 30.535 -2.378 26.115 1.00 11.77 O ATOM 945 CB VAL A 63 28.865 -5.132 25.345 1.00 12.26 C ATOM 946 CG1 VAL A 63 27.496 -5.785 25.340 1.00 12.47 C ATOM 947 CG2 VAL A 63 29.118 -4.406 24.031 1.00 11.04 C ATOM 948 HA VAL A 63 28.820 -4.726 27.460 1.00 0.00 H ATOM 949 HB VAL A 63 29.622 -5.909 25.452 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.356 -6.339 26.268 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.728 -5.016 25.255 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.424 -6.468 24.493 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.385 -3.608 23.911 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.122 -3.981 24.040 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.028 -5.111 23.205 1.00 0.00 H ATOM 956 H VAL A 63 28.117 -2.306 25.829 1.00 0.00 H ATOM 957 N ALA A 64 31.365 -4.276 26.976 1.00 11.48 N ATOM 958 CA ALA A 64 32.723 -3.761 26.992 1.00 10.74 C ATOM 959 C ALA A 64 33.256 -3.583 25.572 1.00 10.29 C ATOM 960 O ALA A 64 33.006 -4.403 24.685 1.00 10.66 O ATOM 961 CB ALA A 64 33.636 -4.702 27.777 1.00 12.33 C ATOM 962 HA ALA A 64 32.710 -2.786 27.480 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.274 -4.786 28.802 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.633 -5.685 27.307 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.650 -4.303 27.780 1.00 0.00 H ATOM 966 H ALA A 64 31.173 -5.239 27.319 1.00 0.00 H ATOM 967 N CYS A 65 33.985 -2.497 25.367 1.00 11.89 N ATOM 968 CA CYS A 65 34.601 -2.212 24.080 1.00 10.27 C ATOM 969 C CYS A 65 35.891 -3.016 23.965 1.00 11.07 C ATOM 970 O CYS A 65 36.509 -3.348 24.971 1.00 11.80 O ATOM 971 CB CYS A 65 34.997 -0.752 23.997 1.00 11.38 C ATOM 972 SG CYS A 65 33.679 0.481 24.060 1.00 13.01 S ATOM 973 HA CYS A 65 33.888 -2.462 23.294 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.529 -0.612 23.056 1.00 0.00 H ATOM 975 HB3 CYS A 65 35.672 -0.550 24.829 1.00 0.00 H ATOM 976 H CYS A 65 34.122 -1.827 26.150 1.00 0.00 H ATOM 977 N LYS A 66 36.321 -3.291 22.741 1.00 11.79 N ATOM 978 CA LYS A 66 37.562 -4.031 22.549 1.00 11.86 C ATOM 979 C LYS A 66 38.753 -3.330 23.210 1.00 12.82 C ATOM 980 O LYS A 66 39.689 -3.990 23.656 1.00 14.32 O ATOM 981 CB LYS A 66 37.844 -4.222 21.058 1.00 13.35 C ATOM 982 CG LYS A 66 36.964 -5.259 20.398 1.00 12.98 C ATOM 983 CD LYS A 66 37.253 -5.367 18.911 1.00 15.53 C ATOM 984 CE LYS A 66 36.467 -6.511 18.292 1.00 19.90 C ATOM 985 NZ LYS A 66 36.604 -6.543 16.809 1.00 22.67 N ATOM 986 HA LYS A 66 37.434 -5.003 23.025 1.00 0.00 H ATOM 987 HB2 LYS A 66 37.689 -3.268 20.554 1.00 0.00 H ATOM 988 HB3 LYS A 66 38.883 -4.528 20.941 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.144 -6.227 20.866 1.00 0.00 H ATOM 990 HG3 LYS A 66 35.920 -4.979 20.537 1.00 0.00 H ATOM 991 HD2 LYS A 66 36.972 -4.434 18.423 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.319 -5.545 18.765 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.414 -6.393 18.546 1.00 0.00 H ATOM 994 HE3 LYS A 66 36.835 -7.452 18.700 1.00 0.00 H ATOM 995 HZ1 LYS A 66 36.249 -5.651 16.410 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.606 -6.663 16.557 1.00 0.00 H ATOM 997 HZ3 LYS A 66 36.052 -7.338 16.428 1.00 0.00 H ATOM 998 H LYS A 66 35.771 -2.978 21.916 1.00 0.00 H ATOM 999 N ASN A 67 38.717 -2.000 23.289 1.00 12.91 N ATOM 1000 CA ASN A 67 39.821 -1.255 23.888 1.00 15.05 C ATOM 1001 C ASN A 67 39.722 -1.104 25.407 1.00 15.22 C ATOM 1002 O ASN A 67 40.564 -0.452 26.023 1.00 17.08 O ATOM 1003 CB ASN A 67 39.948 0.126 23.222 1.00 15.08 C ATOM 1004 CG ASN A 67 38.920 1.132 23.722 1.00 17.29 C ATOM 1005 OD1 ASN A 67 37.882 0.772 24.281 1.00 14.23 O ATOM 1006 ND2 ASN A 67 39.204 2.412 23.502 1.00 17.67 N ATOM 1007 HA ASN A 67 40.718 -1.846 23.706 1.00 0.00 H ATOM 1008 HB2 ASN A 67 40.944 0.518 23.426 1.00 0.00 H ATOM 1009 HB3 ASN A 67 39.819 0.005 22.146 1.00 0.00 H ATOM 1010 HD22 ASN A 67 40.091 2.674 23.027 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.539 3.152 23.805 1.00 0.00 H ATOM 1012 H ASN A 67 37.892 -1.486 22.919 1.00 0.00 H ATOM 1013 N GLY A 68 38.706 -1.714 26.008 1.00 13.29 N ATOM 1014 CA GLY A 68 38.545 -1.636 27.450 1.00 12.99 C ATOM 1015 C GLY A 68 37.617 -0.547 27.951 1.00 12.81 C ATOM 1016 O GLY A 68 37.275 -0.512 29.137 1.00 14.81 O ATOM 1017 HA3 GLY A 68 39.528 -1.466 27.888 1.00 0.00 H ATOM 1018 HA2 GLY A 68 38.155 -2.593 27.796 1.00 0.00 H ATOM 1019 H GLY A 68 38.020 -2.252 25.441 1.00 0.00 H ATOM 1020 N GLN A 69 37.221 0.368 27.070 1.00 12.82 N ATOM 1021 CA GLN A 69 36.307 1.422 27.474 1.00 12.58 C ATOM 1022 C GLN A 69 34.928 0.817 27.684 1.00 12.70 C ATOM 1023 O GLN A 69 34.663 -0.300 27.231 1.00 14.35 O ATOM 1024 CB GLN A 69 36.268 2.535 26.428 1.00 14.55 C ATOM 1025 CG GLN A 69 37.477 3.454 26.533 1.00 15.23 C ATOM 1026 CD GLN A 69 37.382 4.665 25.630 1.00 16.31 C ATOM 1027 OE1 GLN A 69 37.778 4.619 24.467 1.00 18.36 O ATOM 1028 NE2 GLN A 69 36.851 5.758 26.165 1.00 21.29 N ATOM 1029 HA GLN A 69 36.650 1.869 28.407 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.251 2.086 25.435 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.363 3.125 26.574 1.00 0.00 H ATOM 1032 HG2 GLN A 69 37.565 3.796 27.564 1.00 0.00 H ATOM 1033 HG3 GLN A 69 38.368 2.888 26.262 1.00 0.00 H ATOM 1034 HE22 GLN A 69 36.530 5.749 27.154 1.00 0.00 H ATOM 1035 HE21 GLN A 69 36.756 6.623 25.595 1.00 0.00 H ATOM 1036 H GLN A 69 37.567 0.328 26.090 1.00 0.00 H ATOM 1037 N THR A 70 34.056 1.545 28.369 1.00 12.90 N ATOM 1038 CA THR A 70 32.719 1.038 28.670 1.00 15.21 C ATOM 1039 C THR A 70 31.594 1.706 27.893 1.00 14.32 C ATOM 1040 O THR A 70 30.421 1.564 28.252 1.00 16.92 O ATOM 1041 CB THR A 70 32.399 1.197 30.170 1.00 16.04 C ATOM 1042 OG1 THR A 70 32.236 2.586 30.476 1.00 19.90 O ATOM 1043 CG2 THR A 70 33.528 0.630 31.020 1.00 20.19 C ATOM 1044 HA THR A 70 32.757 -0.009 28.368 1.00 0.00 H ATOM 1045 HB THR A 70 31.481 0.653 30.391 1.00 0.00 H ATOM 1046 HG1 THR A 70 31.492 2.956 29.937 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.657 -0.428 30.791 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.451 1.166 30.800 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.281 0.748 32.075 1.00 0.00 H ATOM 1050 H THR A 70 34.329 2.493 28.698 1.00 0.00 H ATOM 1051 N ASN A 71 31.940 2.423 26.831 1.00 12.06 N ATOM 1052 CA ASN A 71 30.941 3.129 26.044 1.00 11.14 C ATOM 1053 C ASN A 71 30.502 2.419 24.766 1.00 10.93 C ATOM 1054 O ASN A 71 30.206 3.072 23.765 1.00 11.79 O ATOM 1055 CB ASN A 71 31.456 4.535 25.714 1.00 10.99 C ATOM 1056 CG ASN A 71 32.670 4.516 24.813 1.00 10.45 C ATOM 1057 OD1 ASN A 71 33.586 3.713 25.000 1.00 13.80 O ATOM 1058 ND2 ASN A 71 32.692 5.414 23.832 1.00 11.72 N ATOM 1059 HA ASN A 71 30.047 3.170 26.666 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.661 5.090 25.216 1.00 0.00 H ATOM 1061 HB3 ASN A 71 31.720 5.037 26.645 1.00 0.00 H ATOM 1062 HD22 ASN A 71 31.896 6.072 23.712 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.505 5.458 23.185 1.00 0.00 H ATOM 1064 H ASN A 71 32.942 2.481 26.557 1.00 0.00 H ATOM 1065 N CYS A 72 30.454 1.089 24.805 1.00 10.40 N ATOM 1066 CA CYS A 72 30.018 0.307 23.649 1.00 9.92 C ATOM 1067 C CYS A 72 28.655 -0.304 23.888 1.00 10.92 C ATOM 1068 O CYS A 72 28.283 -0.622 25.024 1.00 9.37 O ATOM 1069 CB CYS A 72 31.045 -0.780 23.293 1.00 10.21 C ATOM 1070 SG CYS A 72 32.484 -0.005 22.493 1.00 11.47 S ATOM 1071 HA CYS A 72 29.941 0.988 22.801 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.593 -1.500 22.611 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.364 -1.292 24.201 1.00 0.00 H ATOM 1074 H CYS A 72 30.733 0.595 25.677 1.00 0.00 H ATOM 1075 N TYR A 73 27.904 -0.451 22.805 1.00 10.80 N ATOM 1076 CA TYR A 73 26.560 -0.986 22.869 1.00 10.71 C ATOM 1077 C TYR A 73 26.300 -1.952 21.734 1.00 10.45 C ATOM 1078 O TYR A 73 26.712 -1.717 20.591 1.00 10.22 O ATOM 1079 CB TYR A 73 25.547 0.159 22.817 1.00 11.50 C ATOM 1080 CG TYR A 73 25.799 1.207 23.872 1.00 9.15 C ATOM 1081 CD1 TYR A 73 26.774 2.187 23.687 1.00 10.32 C ATOM 1082 CD2 TYR A 73 25.140 1.155 25.100 1.00 12.19 C ATOM 1083 CE1 TYR A 73 27.094 3.084 24.696 1.00 11.90 C ATOM 1084 CE2 TYR A 73 25.456 2.046 26.115 1.00 10.89 C ATOM 1085 CZ TYR A 73 26.435 3.006 25.909 1.00 11.35 C ATOM 1086 OH TYR A 73 26.769 3.882 26.917 1.00 15.08 O ATOM 1087 HA TYR A 73 26.453 -1.529 23.808 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.548 -0.252 22.964 1.00 0.00 H ATOM 1089 HB2 TYR A 73 25.603 0.631 21.836 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.367 0.405 25.264 1.00 0.00 H ATOM 1091 HE2 TYR A 73 24.936 1.992 27.072 1.00 0.00 H ATOM 1092 HE1 TYR A 73 27.859 3.844 24.534 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.295 2.249 22.731 1.00 0.00 H ATOM 1094 HH TYR A 73 27.480 4.493 26.599 1.00 0.00 H ATOM 1095 H TYR A 73 28.292 -0.173 21.881 1.00 0.00 H ATOM 1096 N GLN A 74 25.611 -3.036 22.060 1.00 10.54 N ATOM 1097 CA GLN A 74 25.279 -4.068 21.087 1.00 11.17 C ATOM 1098 C GLN A 74 23.800 -3.978 20.734 1.00 11.68 C ATOM 1099 O GLN A 74 22.957 -3.821 21.613 1.00 11.87 O ATOM 1100 CB GLN A 74 25.596 -5.443 21.673 1.00 11.12 C ATOM 1101 CG GLN A 74 25.311 -6.595 20.742 1.00 13.69 C ATOM 1102 CD GLN A 74 25.779 -7.903 21.325 1.00 16.44 C ATOM 1103 OE1 GLN A 74 26.902 -8.000 21.815 1.00 16.92 O ATOM 1104 NE2 GLN A 74 24.928 -8.920 21.270 1.00 17.46 N ATOM 1105 HA GLN A 74 25.870 -3.922 20.183 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.654 -5.468 21.933 1.00 0.00 H ATOM 1107 HB3 GLN A 74 24.998 -5.576 22.575 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.237 -6.650 20.564 1.00 0.00 H ATOM 1109 HG3 GLN A 74 25.826 -6.423 19.797 1.00 0.00 H ATOM 1110 HE22 GLN A 74 23.988 -8.789 20.845 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.201 -9.848 21.652 1.00 0.00 H ATOM 1112 H GLN A 74 25.297 -3.154 23.044 1.00 0.00 H ATOM 1113 N SER A 75 23.489 -4.079 19.445 1.00 12.17 N ATOM 1114 CA SER A 75 22.104 -4.000 18.995 1.00 12.43 C ATOM 1115 C SER A 75 21.341 -5.248 19.418 1.00 13.73 C ATOM 1116 O SER A 75 21.854 -6.359 19.333 1.00 12.96 O ATOM 1117 CB SER A 75 22.046 -3.836 17.465 1.00 12.69 C ATOM 1118 OG SER A 75 22.565 -4.968 16.788 1.00 13.49 O ATOM 1119 HA SER A 75 21.638 -3.130 19.457 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.629 -2.959 17.183 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.008 -3.692 17.166 1.00 0.00 H ATOM 1122 HG SER A 75 22.037 -5.769 17.033 1.00 0.00 H ATOM 1123 H SER A 75 24.246 -4.217 18.746 1.00 0.00 H ATOM 1124 N TYR A 76 20.113 -5.057 19.890 1.00 13.49 N ATOM 1125 CA TYR A 76 19.291 -6.185 20.312 1.00 15.94 C ATOM 1126 C TYR A 76 18.888 -7.008 19.097 1.00 15.20 C ATOM 1127 O TYR A 76 18.864 -8.235 19.146 1.00 17.82 O ATOM 1128 CB TYR A 76 18.047 -5.689 21.052 1.00 15.18 C ATOM 1129 CG TYR A 76 18.351 -5.112 22.415 1.00 13.92 C ATOM 1130 CD1 TYR A 76 18.958 -5.891 23.395 1.00 14.03 C ATOM 1131 CD2 TYR A 76 18.030 -3.794 22.725 1.00 12.70 C ATOM 1132 CE1 TYR A 76 19.239 -5.368 24.656 1.00 12.25 C ATOM 1133 CE2 TYR A 76 18.306 -3.259 23.982 1.00 13.15 C ATOM 1134 CZ TYR A 76 18.912 -4.056 24.941 1.00 12.74 C ATOM 1135 OH TYR A 76 19.198 -3.536 26.183 1.00 14.50 O ATOM 1136 HA TYR A 76 19.869 -6.811 20.991 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.361 -6.527 21.176 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.570 -4.917 20.448 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.554 -3.168 21.970 1.00 0.00 H ATOM 1140 HE2 TYR A 76 18.048 -2.225 24.209 1.00 0.00 H ATOM 1141 HE1 TYR A 76 19.714 -5.991 25.414 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.218 -6.926 23.173 1.00 0.00 H ATOM 1143 HH TYR A 76 18.359 -3.235 26.614 1.00 0.00 H ATOM 1144 H TYR A 76 19.734 -4.091 19.959 1.00 0.00 H ATOM 1145 N SER A 77 18.585 -6.319 18.003 1.00 16.98 N ATOM 1146 CA SER A 77 18.201 -6.988 16.767 1.00 17.37 C ATOM 1147 C SER A 77 19.412 -7.135 15.856 1.00 17.69 C ATOM 1148 O SER A 77 20.393 -6.403 15.983 1.00 16.63 O ATOM 1149 CB SER A 77 17.131 -6.175 16.036 1.00 19.01 C ATOM 1150 OG SER A 77 16.009 -5.932 16.867 1.00 22.13 O ATOM 1151 HA SER A 77 17.805 -7.972 17.018 1.00 0.00 H ATOM 1152 HB2 SER A 77 16.807 -6.727 15.154 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.559 -5.221 15.729 1.00 0.00 H ATOM 1154 HG SER A 77 15.337 -5.405 16.366 1.00 0.00 H ATOM 1155 H SER A 77 18.623 -5.280 18.029 1.00 0.00 H ATOM 1156 N THR A 78 19.353 -8.096 14.943 1.00 18.32 N ATOM 1157 CA THR A 78 20.442 -8.276 14.000 1.00 17.41 C ATOM 1158 C THR A 78 20.241 -7.190 12.951 1.00 17.45 C ATOM 1159 O THR A 78 19.127 -6.695 12.762 1.00 17.71 O ATOM 1160 CB THR A 78 20.394 -9.655 13.314 1.00 20.47 C ATOM 1161 OG1 THR A 78 19.176 -9.783 12.574 1.00 20.66 O ATOM 1162 CG2 THR A 78 20.473 -10.766 14.348 1.00 21.04 C ATOM 1163 HA THR A 78 21.403 -8.215 14.510 1.00 0.00 H ATOM 1164 HB THR A 78 21.246 -9.738 12.639 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.133 -9.072 11.886 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.400 -10.670 14.913 1.00 0.00 H ATOM 1167 HG21 THR A 78 19.623 -10.690 15.027 1.00 0.00 H ATOM 1168 HG22 THR A 78 20.452 -11.732 13.844 1.00 0.00 H ATOM 1169 H THR A 78 18.524 -8.722 14.903 1.00 0.00 H ATOM 1170 N MET A 79 21.324 -6.809 12.284 1.00 14.22 N ATOM 1171 CA MET A 79 21.261 -5.781 11.259 1.00 13.82 C ATOM 1172 C MET A 79 21.957 -6.222 9.986 1.00 13.88 C ATOM 1173 O MET A 79 22.901 -7.016 10.018 1.00 14.13 O ATOM 1174 CB MET A 79 21.918 -4.493 11.755 1.00 14.79 C ATOM 1175 CG MET A 79 21.189 -3.828 12.903 1.00 14.11 C ATOM 1176 SD MET A 79 21.891 -2.217 13.285 1.00 15.32 S ATOM 1177 CE MET A 79 20.625 -1.548 14.356 1.00 17.18 C ATOM 1178 HA MET A 79 20.207 -5.605 11.044 1.00 0.00 H ATOM 1179 HB2 MET A 79 22.930 -4.729 12.083 1.00 0.00 H ATOM 1180 HB3 MET A 79 21.962 -3.789 10.924 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.261 -4.464 13.785 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.141 -3.703 12.632 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.681 -1.497 13.813 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.510 -2.193 15.227 1.00 0.00 H ATOM 1185 HE3 MET A 79 20.915 -0.548 14.679 1.00 0.00 H ATOM 1186 H MET A 79 22.238 -7.256 12.500 1.00 0.00 H ATOM 1187 N SER A 80 21.481 -5.689 8.867 1.00 14.12 N ATOM 1188 CA SER A 80 22.055 -5.977 7.563 1.00 14.09 C ATOM 1189 C SER A 80 23.354 -5.185 7.468 1.00 12.20 C ATOM 1190 O SER A 80 23.350 -3.964 7.624 1.00 13.91 O ATOM 1191 CB SER A 80 21.096 -5.523 6.465 1.00 12.75 C ATOM 1192 OG SER A 80 21.660 -5.710 5.177 1.00 14.98 O ATOM 1193 HA SER A 80 22.235 -7.045 7.441 1.00 0.00 H ATOM 1194 HB2 SER A 80 20.872 -4.465 6.604 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.175 -6.101 6.537 1.00 0.00 H ATOM 1196 HG SER A 80 21.016 -5.407 4.489 1.00 0.00 H ATOM 1197 H SER A 80 20.669 -5.042 8.926 1.00 0.00 H ATOM 1198 N ILE A 81 24.458 -5.884 7.225 1.00 12.62 N ATOM 1199 CA ILE A 81 25.759 -5.232 7.120 1.00 14.58 C ATOM 1200 C ILE A 81 26.627 -5.844 6.027 1.00 15.59 C ATOM 1201 O ILE A 81 26.329 -6.911 5.492 1.00 15.65 O ATOM 1202 CB ILE A 81 26.546 -5.328 8.448 1.00 14.90 C ATOM 1203 CG1 ILE A 81 26.885 -6.792 8.746 1.00 14.85 C ATOM 1204 CG2 ILE A 81 25.731 -4.715 9.590 1.00 16.75 C ATOM 1205 CD1 ILE A 81 27.815 -6.987 9.926 1.00 16.78 C ATOM 1206 HA ILE A 81 25.546 -4.191 6.876 1.00 0.00 H ATOM 1207 HB ILE A 81 27.477 -4.768 8.355 1.00 0.00 H ATOM 1208 HG12 ILE A 81 25.956 -7.323 8.952 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.359 -7.220 7.863 1.00 0.00 H ATOM 1210 HD11 ILE A 81 28.757 -6.473 9.734 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.352 -6.576 10.823 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.003 -8.051 10.067 1.00 0.00 H ATOM 1213 HG21 ILE A 81 25.529 -3.667 9.369 1.00 0.00 H ATOM 1214 HG22 ILE A 81 24.789 -5.254 9.693 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.297 -4.789 10.519 1.00 0.00 H ATOM 1216 H ILE A 81 24.393 -6.915 7.107 1.00 0.00 H ATOM 1217 N THR A 82 27.710 -5.154 5.698 1.00 14.40 N ATOM 1218 CA THR A 82 28.646 -5.640 4.697 1.00 14.58 C ATOM 1219 C THR A 82 30.048 -5.399 5.233 1.00 14.58 C ATOM 1220 O THR A 82 30.401 -4.268 5.566 1.00 13.95 O ATOM 1221 CB THR A 82 28.480 -4.900 3.354 1.00 14.84 C ATOM 1222 OG1 THR A 82 27.179 -5.171 2.822 1.00 15.73 O ATOM 1223 CG2 THR A 82 29.536 -5.364 2.352 1.00 16.85 C ATOM 1224 HA THR A 82 28.460 -6.698 4.512 1.00 0.00 H ATOM 1225 HB THR A 82 28.601 -3.831 3.526 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.491 -4.858 3.461 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.529 -5.160 2.752 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.425 -6.435 2.179 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.404 -4.827 1.412 1.00 0.00 H ATOM 1230 H THR A 82 27.894 -4.244 6.167 1.00 0.00 H ATOM 1231 N ASP A 83 30.827 -6.470 5.344 1.00 14.46 N ATOM 1232 CA ASP A 83 32.196 -6.372 5.834 1.00 15.18 C ATOM 1233 C ASP A 83 33.158 -6.286 4.665 1.00 16.02 C ATOM 1234 O ASP A 83 33.021 -7.014 3.680 1.00 15.65 O ATOM 1235 CB ASP A 83 32.564 -7.590 6.685 1.00 19.87 C ATOM 1236 CG ASP A 83 31.794 -7.650 7.985 1.00 22.09 C ATOM 1237 OD1 ASP A 83 31.706 -6.613 8.677 1.00 23.56 O ATOM 1238 OD2 ASP A 83 31.287 -8.739 8.324 1.00 26.70 O ATOM 1239 HA ASP A 83 32.268 -5.474 6.448 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.352 -8.493 6.112 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.629 -7.548 6.912 1.00 0.00 H ATOM 1242 H ASP A 83 30.450 -7.401 5.074 1.00 0.00 H ATOM 1243 N CYS A 84 34.134 -5.394 4.785 1.00 15.88 N ATOM 1244 CA CYS A 84 35.139 -5.206 3.755 1.00 15.70 C ATOM 1245 C CYS A 84 36.494 -5.565 4.337 1.00 18.52 C ATOM 1246 O CYS A 84 36.864 -5.077 5.404 1.00 17.59 O ATOM 1247 CB CYS A 84 35.155 -3.757 3.298 1.00 14.63 C ATOM 1248 SG CYS A 84 33.611 -3.204 2.517 1.00 13.26 S ATOM 1249 HA CYS A 84 34.911 -5.841 2.899 1.00 0.00 H ATOM 1250 HB2 CYS A 84 35.965 -3.634 2.579 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.344 -3.127 4.167 1.00 0.00 H ATOM 1252 H CYS A 84 34.180 -4.811 5.645 1.00 0.00 H ATOM 1253 N ARG A 85 37.228 -6.421 3.637 1.00 19.26 N ATOM 1254 CA ARG A 85 38.542 -6.848 4.096 1.00 21.33 C ATOM 1255 C ARG A 85 39.538 -6.794 2.948 1.00 20.50 C ATOM 1256 O ARG A 85 39.344 -7.436 1.917 1.00 20.25 O ATOM 1257 CB ARG A 85 38.463 -8.271 4.652 1.00 24.21 C ATOM 1258 CG ARG A 85 39.806 -8.881 5.020 1.00 29.63 C ATOM 1259 CD ARG A 85 39.643 -10.331 5.451 1.00 32.93 C ATOM 1260 NE ARG A 85 40.924 -11.024 5.549 1.00 37.18 N ATOM 1261 CZ ARG A 85 41.057 -12.313 5.850 1.00 38.34 C ATOM 1262 NH1 ARG A 85 39.985 -13.057 6.087 1.00 39.07 N ATOM 1263 NH2 ARG A 85 42.263 -12.862 5.907 1.00 39.12 N ATOM 1264 HA ARG A 85 38.877 -6.176 4.886 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.841 -8.253 5.547 1.00 0.00 H ATOM 1266 HB3 ARG A 85 37.996 -8.905 3.899 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.467 -8.838 4.155 1.00 0.00 H ATOM 1268 HG3 ARG A 85 40.244 -8.312 5.840 1.00 0.00 H ATOM 1269 HD2 ARG A 85 39.019 -10.847 4.721 1.00 0.00 H ATOM 1270 HD3 ARG A 85 39.155 -10.355 6.425 1.00 0.00 H ATOM 1271 HE ARG A 85 41.789 -10.474 5.372 1.00 0.00 H ATOM 1272 HH12 ARG A 85 40.093 -14.064 6.322 1.00 0.00 H ATOM 1273 HH11 ARG A 85 39.037 -12.633 6.038 1.00 0.00 H ATOM 1274 HH22 ARG A 85 42.365 -13.870 6.142 1.00 0.00 H ATOM 1275 HH21 ARG A 85 43.107 -12.285 5.716 1.00 0.00 H ATOM 1276 H ARG A 85 36.856 -6.795 2.741 1.00 0.00 H ATOM 1277 N GLU A 86 40.606 -6.024 3.130 1.00 20.72 N ATOM 1278 CA GLU A 86 41.622 -5.887 2.095 1.00 21.81 C ATOM 1279 C GLU A 86 42.180 -7.252 1.704 1.00 22.65 C ATOM 1280 O GLU A 86 42.495 -8.072 2.567 1.00 22.96 O ATOM 1281 CB GLU A 86 42.761 -4.987 2.585 1.00 22.99 C ATOM 1282 CG GLU A 86 43.699 -4.552 1.473 1.00 23.95 C ATOM 1283 CD GLU A 86 44.856 -3.706 1.965 1.00 24.16 C ATOM 1284 OE1 GLU A 86 45.522 -3.078 1.118 1.00 23.45 O ATOM 1285 OE2 GLU A 86 45.101 -3.672 3.190 1.00 26.06 O ATOM 1286 HA GLU A 86 41.157 -5.433 1.220 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.328 -4.097 3.042 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.338 -5.533 3.332 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.101 -5.443 0.990 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.130 -3.972 0.746 1.00 0.00 H ATOM 1291 H GLU A 86 40.718 -5.510 4.027 1.00 0.00 H ATOM 1292 N THR A 87 42.295 -7.492 0.400 1.00 23.42 N ATOM 1293 CA THR A 87 42.821 -8.760 -0.098 1.00 24.90 C ATOM 1294 C THR A 87 44.328 -8.821 0.122 1.00 26.60 C ATOM 1295 O THR A 87 44.964 -7.807 0.410 1.00 26.86 O ATOM 1296 CB THR A 87 42.545 -8.940 -1.607 1.00 23.39 C ATOM 1297 OG1 THR A 87 43.255 -7.941 -2.348 1.00 23.86 O ATOM 1298 CG2 THR A 87 41.060 -8.814 -1.897 1.00 23.94 C ATOM 1299 HA THR A 87 42.318 -9.556 0.452 1.00 0.00 H ATOM 1300 HB THR A 87 42.881 -9.933 -1.904 1.00 0.00 H ATOM 1301 HG1 THR A 87 43.076 -8.059 -3.314 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.516 -9.573 -1.335 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.716 -7.823 -1.600 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.886 -8.956 -2.964 1.00 0.00 H ATOM 1305 H THR A 87 42.004 -6.760 -0.279 1.00 0.00 H ATOM 1306 N GLY A 88 44.894 -10.015 -0.022 1.00 29.00 N ATOM 1307 CA GLY A 88 46.322 -10.182 0.170 1.00 30.10 C ATOM 1308 C GLY A 88 47.154 -9.584 -0.948 1.00 30.77 C ATOM 1309 O GLY A 88 48.302 -9.197 -0.733 1.00 33.11 O ATOM 1310 HA3 GLY A 88 46.540 -11.248 0.231 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.604 -9.700 1.106 1.00 0.00 H ATOM 1312 H GLY A 88 44.308 -10.836 -0.274 1.00 0.00 H ATOM 1313 N SER A 89 46.578 -9.507 -2.143 1.00 31.05 N ATOM 1314 CA SER A 89 47.278 -8.959 -3.299 1.00 31.16 C ATOM 1315 C SER A 89 46.972 -7.477 -3.502 1.00 31.28 C ATOM 1316 O SER A 89 47.377 -6.881 -4.501 1.00 31.60 O ATOM 1317 CB SER A 89 46.896 -9.740 -4.557 1.00 31.42 C ATOM 1318 OG SER A 89 45.501 -9.674 -4.792 1.00 33.17 O ATOM 1319 HA SER A 89 48.347 -9.056 -3.112 1.00 0.00 H ATOM 1320 HB2 SER A 89 47.188 -10.783 -4.432 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.422 -9.317 -5.413 1.00 0.00 H ATOM 1322 HG SER A 89 45.019 -10.061 -4.019 1.00 0.00 H ATOM 1323 H SER A 89 45.602 -9.847 -2.257 1.00 0.00 H ATOM 1324 N SER A 90 46.253 -6.888 -2.551 1.00 30.23 N ATOM 1325 CA SER A 90 45.896 -5.476 -2.622 1.00 28.45 C ATOM 1326 C SER A 90 47.127 -4.600 -2.438 1.00 27.36 C ATOM 1327 O SER A 90 47.906 -4.802 -1.509 1.00 28.65 O ATOM 1328 CB SER A 90 44.872 -5.135 -1.539 1.00 27.14 C ATOM 1329 OG SER A 90 44.577 -3.748 -1.531 1.00 26.29 O ATOM 1330 HA SER A 90 45.466 -5.286 -3.605 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.274 -5.419 -0.567 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.955 -5.693 -1.728 1.00 0.00 H ATOM 1333 HG SER A 90 45.406 -3.236 -1.355 1.00 0.00 H ATOM 1334 H SER A 90 45.937 -7.449 -1.735 1.00 0.00 H ATOM 1335 N LYS A 91 47.297 -3.626 -3.325 1.00 27.39 N ATOM 1336 CA LYS A 91 48.434 -2.720 -3.244 1.00 27.98 C ATOM 1337 C LYS A 91 48.055 -1.267 -3.519 1.00 26.87 C ATOM 1338 O LYS A 91 47.717 -0.897 -4.642 1.00 27.77 O ATOM 1339 CB LYS A 91 49.534 -3.167 -4.214 1.00 29.04 C ATOM 1340 CG LYS A 91 50.238 -4.454 -3.793 1.00 30.50 C ATOM 1341 CD LYS A 91 51.004 -4.261 -2.491 1.00 32.43 C ATOM 1342 CE LYS A 91 51.497 -5.585 -1.925 1.00 34.06 C ATOM 1343 NZ LYS A 91 52.348 -6.340 -2.887 1.00 37.32 N ATOM 1344 HA LYS A 91 48.802 -2.765 -2.219 1.00 0.00 H ATOM 1345 HB2 LYS A 91 49.085 -3.325 -5.195 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.278 -2.373 -4.280 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.494 -5.238 -3.655 1.00 0.00 H ATOM 1348 HG3 LYS A 91 50.936 -4.751 -4.576 1.00 0.00 H ATOM 1349 HD2 LYS A 91 51.862 -3.615 -2.678 1.00 0.00 H ATOM 1350 HD3 LYS A 91 50.347 -3.788 -1.761 1.00 0.00 H ATOM 1351 HE2 LYS A 91 50.633 -6.198 -1.668 1.00 0.00 H ATOM 1352 HE3 LYS A 91 52.080 -5.385 -1.026 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 51.800 -6.545 -3.747 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 53.181 -5.768 -3.134 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 52.655 -7.232 -2.450 1.00 0.00 H ATOM 1356 H LYS A 91 46.605 -3.508 -4.092 1.00 0.00 H ATOM 1357 N TYR A 92 48.108 -0.457 -2.467 1.00 27.07 N ATOM 1358 CA TYR A 92 47.807 0.968 -2.542 1.00 27.17 C ATOM 1359 C TYR A 92 48.609 1.564 -3.698 1.00 27.02 C ATOM 1360 O TYR A 92 49.756 1.177 -3.921 1.00 27.85 O ATOM 1361 CB TYR A 92 48.217 1.629 -1.225 1.00 27.16 C ATOM 1362 CG TYR A 92 48.077 3.131 -1.182 1.00 27.40 C ATOM 1363 CD1 TYR A 92 46.839 3.734 -0.963 1.00 28.01 C ATOM 1364 CD2 TYR A 92 49.192 3.953 -1.339 1.00 28.13 C ATOM 1365 CE1 TYR A 92 46.716 5.119 -0.895 1.00 28.01 C ATOM 1366 CE2 TYR A 92 49.080 5.336 -1.276 1.00 28.96 C ATOM 1367 CZ TYR A 92 47.842 5.914 -1.051 1.00 29.26 C ATOM 1368 OH TYR A 92 47.741 7.284 -0.971 1.00 29.39 O ATOM 1369 HA TYR A 92 46.742 1.133 -2.708 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.262 1.383 -1.036 1.00 0.00 H ATOM 1371 HB2 TYR A 92 47.598 1.211 -0.432 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.169 3.502 -1.514 1.00 0.00 H ATOM 1373 HE2 TYR A 92 49.962 5.963 -1.403 1.00 0.00 H ATOM 1374 HE1 TYR A 92 45.742 5.576 -0.720 1.00 0.00 H ATOM 1375 HD1 TYR A 92 45.953 3.111 -0.843 1.00 0.00 H ATOM 1376 HH TYR A 92 46.797 7.535 -0.808 1.00 0.00 H ATOM 1377 H TYR A 92 48.377 -0.858 -1.546 1.00 0.00 H ATOM 1378 N PRO A 93 48.026 2.521 -4.441 1.00 27.59 N ATOM 1379 CA PRO A 93 46.681 3.088 -4.282 1.00 28.53 C ATOM 1380 C PRO A 93 45.552 2.237 -4.866 1.00 29.11 C ATOM 1381 O PRO A 93 44.384 2.618 -4.789 1.00 29.09 O ATOM 1382 CB PRO A 93 46.802 4.435 -4.982 1.00 28.17 C ATOM 1383 CG PRO A 93 47.710 4.110 -6.123 1.00 29.34 C ATOM 1384 CD PRO A 93 48.783 3.270 -5.460 1.00 27.51 C ATOM 1385 HA PRO A 93 46.396 3.152 -3.232 1.00 0.00 H ATOM 1386 HD3 PRO A 93 49.253 2.595 -6.176 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.546 3.898 -5.000 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.132 5.015 -6.561 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.187 3.544 -6.894 1.00 0.00 H ATOM 1390 HB2 PRO A 93 45.833 4.787 -5.334 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.243 5.185 -4.325 1.00 0.00 H ATOM 1392 N ASN A 94 45.902 1.094 -5.450 1.00 29.28 N ATOM 1393 CA ASN A 94 44.909 0.199 -6.041 1.00 29.02 C ATOM 1394 C ASN A 94 44.343 -0.743 -4.982 1.00 27.39 C ATOM 1395 O ASN A 94 44.476 -1.963 -5.082 1.00 27.45 O ATOM 1396 CB ASN A 94 45.540 -0.625 -7.169 1.00 31.94 C ATOM 1397 CG ASN A 94 46.011 0.232 -8.329 1.00 34.47 C ATOM 1398 OD1 ASN A 94 46.883 1.087 -8.173 1.00 37.16 O ATOM 1399 ND2 ASN A 94 45.435 0.003 -9.503 1.00 36.14 N ATOM 1400 HA ASN A 94 44.101 0.808 -6.447 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.395 -1.169 -6.767 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.800 -1.335 -7.538 1.00 0.00 H ATOM 1403 HD22 ASN A 94 44.702 -0.730 -9.588 1.00 0.00 H ATOM 1404 HD21 ASN A 94 45.717 0.557 -10.337 1.00 0.00 H ATOM 1405 H ASN A 94 46.907 0.831 -5.487 1.00 0.00 H ATOM 1406 N CYS A 95 43.703 -0.168 -3.971 1.00 25.33 N ATOM 1407 CA CYS A 95 43.128 -0.941 -2.879 1.00 24.39 C ATOM 1408 C CYS A 95 42.057 -1.934 -3.335 1.00 22.60 C ATOM 1409 O CYS A 95 41.087 -1.556 -3.991 1.00 24.68 O ATOM 1410 CB CYS A 95 42.548 0.014 -1.835 1.00 23.21 C ATOM 1411 SG CYS A 95 43.759 1.216 -1.191 1.00 23.78 S ATOM 1412 HA CYS A 95 43.933 -1.537 -2.449 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.170 -0.576 -1.000 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.725 0.564 -2.291 1.00 0.00 H ATOM 1415 H CYS A 95 43.609 0.868 -3.958 1.00 0.00 H ATOM 1416 N ALA A 96 42.245 -3.201 -2.974 1.00 21.47 N ATOM 1417 CA ALA A 96 41.311 -4.266 -3.336 1.00 21.40 C ATOM 1418 C ALA A 96 40.722 -4.907 -2.086 1.00 21.30 C ATOM 1419 O ALA A 96 41.433 -5.156 -1.112 1.00 19.88 O ATOM 1420 CB ALA A 96 42.021 -5.319 -4.177 1.00 23.04 C ATOM 1421 HA ALA A 96 40.499 -3.832 -3.919 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.408 -4.857 -5.085 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.846 -5.744 -3.605 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.316 -6.107 -4.441 1.00 0.00 H ATOM 1425 H ALA A 96 43.087 -3.442 -2.414 1.00 0.00 H ATOM 1426 N TYR A 97 39.421 -5.188 -2.127 1.00 19.28 N ATOM 1427 CA TYR A 97 38.729 -5.769 -0.986 1.00 19.06 C ATOM 1428 C TYR A 97 37.836 -6.958 -1.289 1.00 18.19 C ATOM 1429 O TYR A 97 37.371 -7.142 -2.413 1.00 19.47 O ATOM 1430 CB TYR A 97 37.849 -4.713 -0.313 1.00 15.69 C ATOM 1431 CG TYR A 97 38.605 -3.561 0.279 1.00 14.58 C ATOM 1432 CD1 TYR A 97 38.996 -2.483 -0.505 1.00 15.34 C ATOM 1433 CD2 TYR A 97 38.965 -3.571 1.622 1.00 15.84 C ATOM 1434 CE1 TYR A 97 39.736 -1.436 0.035 1.00 14.74 C ATOM 1435 CE2 TYR A 97 39.705 -2.535 2.171 1.00 14.87 C ATOM 1436 CZ TYR A 97 40.088 -1.473 1.376 1.00 16.28 C ATOM 1437 OH TYR A 97 40.840 -0.456 1.920 1.00 17.68 O ATOM 1438 HA TYR A 97 39.536 -6.128 -0.348 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.285 -5.197 0.485 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.157 -4.320 -1.058 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.661 -4.406 2.253 1.00 0.00 H ATOM 1442 HE2 TYR A 97 39.983 -2.559 3.225 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.036 -0.595 -0.590 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.719 -2.457 -1.559 1.00 0.00 H ATOM 1445 HH TYR A 97 40.338 -0.037 2.663 1.00 0.00 H ATOM 1446 H TYR A 97 38.886 -4.987 -2.996 1.00 0.00 H ATOM 1447 N LYS A 98 37.595 -7.757 -0.256 1.00 19.29 N ATOM 1448 CA LYS A 98 36.694 -8.894 -0.350 1.00 19.73 C ATOM 1449 C LYS A 98 35.413 -8.370 0.293 1.00 19.21 C ATOM 1450 O LYS A 98 35.456 -7.786 1.379 1.00 20.52 O ATOM 1451 CB LYS A 98 37.229 -10.090 0.440 1.00 20.55 C ATOM 1452 CG LYS A 98 36.272 -11.276 0.488 1.00 24.19 C ATOM 1453 CD LYS A 98 36.920 -12.490 1.142 1.00 27.76 C ATOM 1454 CE LYS A 98 37.367 -12.206 2.574 1.00 29.03 C ATOM 1455 NZ LYS A 98 36.224 -11.956 3.496 1.00 31.71 N ATOM 1456 HA LYS A 98 36.561 -9.245 -1.373 1.00 0.00 H ATOM 1457 HB2 LYS A 98 38.160 -10.418 -0.022 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.426 -9.766 1.462 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.388 -10.995 1.060 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.978 -11.536 -0.529 1.00 0.00 H ATOM 1461 HD2 LYS A 98 36.200 -13.308 1.155 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.790 -12.783 0.554 1.00 0.00 H ATOM 1463 HE2 LYS A 98 38.011 -11.326 2.570 1.00 0.00 H ATOM 1464 HE3 LYS A 98 37.929 -13.065 2.941 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 35.684 -11.132 3.162 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 35.606 -12.792 3.515 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 36.586 -11.769 4.453 1.00 0.00 H ATOM 1468 H LYS A 98 38.067 -7.563 0.650 1.00 0.00 H ATOM 1469 N THR A 99 34.289 -8.556 -0.389 1.00 17.95 N ATOM 1470 CA THR A 99 32.992 -8.092 0.093 1.00 17.27 C ATOM 1471 C THR A 99 32.184 -9.248 0.665 1.00 17.84 C ATOM 1472 O THR A 99 32.001 -10.271 0.010 1.00 17.16 O ATOM 1473 CB THR A 99 32.189 -7.449 -1.055 1.00 14.08 C ATOM 1474 OG1 THR A 99 32.886 -6.296 -1.537 1.00 15.04 O ATOM 1475 CG2 THR A 99 30.796 -7.052 -0.588 1.00 14.96 C ATOM 1476 HA THR A 99 33.174 -7.354 0.874 1.00 0.00 H ATOM 1477 HB THR A 99 32.085 -8.179 -1.858 1.00 0.00 H ATOM 1478 HG1 THR A 99 33.779 -6.566 -1.869 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.271 -7.935 -0.222 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.878 -6.319 0.214 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.244 -6.619 -1.422 1.00 0.00 H ATOM 1482 H THR A 99 34.335 -9.052 -1.302 1.00 0.00 H ATOM 1483 N THR A 100 31.689 -9.080 1.886 1.00 17.91 N ATOM 1484 CA THR A 100 30.903 -10.127 2.519 1.00 18.50 C ATOM 1485 C THR A 100 29.694 -9.564 3.251 1.00 18.32 C ATOM 1486 O THR A 100 29.835 -8.819 4.224 1.00 19.14 O ATOM 1487 CB THR A 100 31.749 -10.925 3.533 1.00 19.00 C ATOM 1488 OG1 THR A 100 32.899 -11.469 2.874 1.00 21.41 O ATOM 1489 CG2 THR A 100 30.934 -12.065 4.131 1.00 20.64 C ATOM 1490 HA THR A 100 30.567 -10.782 1.715 1.00 0.00 H ATOM 1491 HB THR A 100 32.058 -10.251 4.332 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.442 -10.732 2.499 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.057 -11.658 4.634 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.618 -12.740 3.336 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.546 -12.610 4.849 1.00 0.00 H ATOM 1496 H THR A 100 31.865 -8.190 2.395 1.00 0.00 H ATOM 1497 N GLN A 101 28.504 -9.917 2.774 1.00 16.92 N ATOM 1498 CA GLN A 101 27.277 -9.469 3.412 1.00 18.47 C ATOM 1499 C GLN A 101 27.011 -10.374 4.602 1.00 18.34 C ATOM 1500 O GLN A 101 27.459 -11.522 4.636 1.00 20.72 O ATOM 1501 CB GLN A 101 26.092 -9.545 2.445 1.00 18.70 C ATOM 1502 CG GLN A 101 26.154 -8.550 1.301 1.00 22.62 C ATOM 1503 CD GLN A 101 24.809 -8.365 0.623 1.00 25.09 C ATOM 1504 OE1 GLN A 101 23.860 -7.867 1.229 1.00 24.73 O ATOM 1505 NE2 GLN A 101 24.720 -8.770 -0.637 1.00 24.95 N ATOM 1506 HA GLN A 101 27.391 -8.431 3.724 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.060 -10.549 2.023 1.00 0.00 H ATOM 1508 HB3 GLN A 101 25.178 -9.360 3.009 1.00 0.00 H ATOM 1509 HG2 GLN A 101 26.485 -7.588 1.691 1.00 0.00 H ATOM 1510 HG3 GLN A 101 26.872 -8.908 0.563 1.00 0.00 H ATOM 1511 HE22 GLN A 101 25.548 -9.185 -1.109 1.00 0.00 H ATOM 1512 HE21 GLN A 101 23.822 -8.672 -1.152 1.00 0.00 H ATOM 1513 H GLN A 101 28.450 -10.523 1.931 1.00 0.00 H ATOM 1514 N ALA A 102 26.281 -9.852 5.579 1.00 16.64 N ATOM 1515 CA ALA A 102 25.949 -10.614 6.770 1.00 16.68 C ATOM 1516 C ALA A 102 24.809 -9.943 7.527 1.00 15.72 C ATOM 1517 O ALA A 102 24.435 -8.802 7.245 1.00 16.00 O ATOM 1518 CB ALA A 102 27.175 -10.734 7.670 1.00 18.81 C ATOM 1519 HA ALA A 102 25.629 -11.612 6.470 1.00 0.00 H ATOM 1520 HB1 ALA A 102 27.973 -11.242 7.129 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.509 -9.738 7.962 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.916 -11.307 8.560 1.00 0.00 H ATOM 1523 H ALA A 102 25.938 -8.874 5.490 1.00 0.00 H ATOM 1524 N ASN A 103 24.244 -10.679 8.475 1.00 16.75 N ATOM 1525 CA ASN A 103 23.167 -10.178 9.315 1.00 16.44 C ATOM 1526 C ASN A 103 23.578 -10.523 10.732 1.00 16.32 C ATOM 1527 O ASN A 103 23.472 -11.672 11.163 1.00 18.15 O ATOM 1528 CB ASN A 103 21.845 -10.853 8.950 1.00 17.66 C ATOM 1529 CG ASN A 103 21.269 -10.326 7.650 1.00 18.42 C ATOM 1530 OD1 ASN A 103 20.666 -9.252 7.612 1.00 21.64 O ATOM 1531 ND2 ASN A 103 21.469 -11.073 6.574 1.00 22.28 N ATOM 1532 HA ASN A 103 23.012 -9.106 9.189 1.00 0.00 H ATOM 1533 HB2 ASN A 103 22.015 -11.925 8.849 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.127 -10.674 9.750 1.00 0.00 H ATOM 1535 HD22 ASN A 103 21.984 -11.973 6.654 1.00 0.00 H ATOM 1536 HD21 ASN A 103 21.111 -10.759 5.649 1.00 0.00 H ATOM 1537 H ASN A 103 24.584 -11.651 8.623 1.00 0.00 H ATOM 1538 N LYS A 104 24.072 -9.522 11.448 1.00 15.01 N ATOM 1539 CA LYS A 104 24.540 -9.736 12.806 1.00 15.10 C ATOM 1540 C LYS A 104 24.229 -8.555 13.701 1.00 12.67 C ATOM 1541 O LYS A 104 23.765 -7.513 13.245 1.00 13.16 O ATOM 1542 CB LYS A 104 26.056 -9.967 12.795 1.00 16.73 C ATOM 1543 CG LYS A 104 26.516 -11.091 11.873 1.00 17.97 C ATOM 1544 CD LYS A 104 28.026 -11.251 11.879 1.00 22.35 C ATOM 1545 CE LYS A 104 28.527 -11.726 13.234 1.00 26.02 C ATOM 1546 NZ LYS A 104 29.991 -11.999 13.239 1.00 29.27 N ATOM 1547 HA LYS A 104 24.022 -10.610 13.201 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.539 -9.044 12.475 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.372 -10.208 13.810 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.062 -12.025 12.203 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.190 -10.869 10.857 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.309 -11.980 11.120 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.486 -10.290 11.647 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.000 -12.642 13.500 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.312 -10.956 13.975 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.207 -12.739 12.541 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.505 -11.129 12.994 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.279 -12.319 14.185 1.00 0.00 H ATOM 1559 H LYS A 104 24.125 -8.571 11.031 1.00 0.00 H ATOM 1560 N HIS A 105 24.479 -8.734 14.993 1.00 13.92 N ATOM 1561 CA HIS A 105 24.271 -7.666 15.955 1.00 13.70 C ATOM 1562 C HIS A 105 25.529 -6.819 15.853 1.00 14.17 C ATOM 1563 O HIS A 105 26.638 -7.352 15.823 1.00 16.65 O ATOM 1564 CB HIS A 105 24.162 -8.233 17.369 1.00 16.27 C ATOM 1565 CG HIS A 105 23.082 -9.256 17.529 1.00 16.18 C ATOM 1566 ND1 HIS A 105 21.768 -8.921 17.772 1.00 17.21 N ATOM 1567 CD2 HIS A 105 23.121 -10.608 17.468 1.00 18.75 C ATOM 1568 CE1 HIS A 105 21.043 -10.023 17.856 1.00 17.63 C ATOM 1569 NE2 HIS A 105 21.840 -11.059 17.675 1.00 18.32 N ATOM 1570 HA HIS A 105 23.356 -7.107 15.755 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.114 -8.695 17.628 1.00 0.00 H ATOM 1572 HB3 HIS A 105 23.960 -7.410 18.055 1.00 0.00 H ATOM 1573 HD2 HIS A 105 24.003 -11.223 17.288 1.00 0.00 H ATOM 1574 HE1 HIS A 105 19.970 -10.068 18.043 1.00 0.00 H ATOM 1575 H HIS A 105 24.830 -9.656 15.322 1.00 0.00 H ATOM 1576 N ILE A 106 25.371 -5.508 15.773 1.00 11.74 N ATOM 1577 CA ILE A 106 26.540 -4.647 15.692 1.00 11.46 C ATOM 1578 C ILE A 106 26.883 -4.103 17.071 1.00 9.96 C ATOM 1579 O ILE A 106 26.031 -4.041 17.955 1.00 11.09 O ATOM 1580 CB ILE A 106 26.318 -3.448 14.727 1.00 11.48 C ATOM 1581 CG1 ILE A 106 25.244 -2.501 15.275 1.00 11.91 C ATOM 1582 CG2 ILE A 106 25.908 -3.961 13.354 1.00 13.83 C ATOM 1583 CD1 ILE A 106 25.114 -1.203 14.479 1.00 12.82 C ATOM 1584 HA ILE A 106 27.358 -5.255 15.305 1.00 0.00 H ATOM 1585 HB ILE A 106 27.253 -2.894 14.641 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.284 -3.017 15.253 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.497 -2.251 16.305 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.064 -0.668 14.500 1.00 0.00 H ATOM 1589 HD12 ILE A 106 24.850 -1.436 13.447 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.336 -0.582 14.923 1.00 0.00 H ATOM 1591 HG21 ILE A 106 26.695 -4.603 12.958 1.00 0.00 H ATOM 1592 HG22 ILE A 106 24.983 -4.530 13.442 1.00 0.00 H ATOM 1593 HG23 ILE A 106 25.754 -3.116 12.683 1.00 0.00 H ATOM 1594 H ILE A 106 24.416 -5.096 15.768 1.00 0.00 H ATOM 1595 N ILE A 107 28.146 -3.741 17.260 1.00 9.04 N ATOM 1596 CA ILE A 107 28.590 -3.153 18.516 1.00 10.18 C ATOM 1597 C ILE A 107 29.287 -1.854 18.140 1.00 10.42 C ATOM 1598 O ILE A 107 30.250 -1.863 17.378 1.00 10.65 O ATOM 1599 CB ILE A 107 29.587 -4.054 19.273 1.00 9.39 C ATOM 1600 CG1 ILE A 107 28.933 -5.390 19.630 1.00 11.30 C ATOM 1601 CG2 ILE A 107 30.052 -3.343 20.541 1.00 9.39 C ATOM 1602 CD1 ILE A 107 29.870 -6.360 20.334 1.00 11.41 C ATOM 1603 HA ILE A 107 27.735 -3.010 19.177 1.00 0.00 H ATOM 1604 HB ILE A 107 30.447 -4.251 18.632 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.084 -5.194 20.285 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.580 -5.858 18.711 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.720 -6.576 19.687 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.224 -5.912 21.263 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.335 -7.284 20.555 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.539 -2.406 20.273 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.191 -3.137 21.177 1.00 0.00 H ATOM 1612 HG23 ILE A 107 30.757 -3.980 21.076 1.00 0.00 H ATOM 1613 H ILE A 107 28.835 -3.881 16.493 1.00 0.00 H ATOM 1614 N VAL A 108 28.778 -0.741 18.657 1.00 10.68 N ATOM 1615 CA VAL A 108 29.352 0.565 18.368 1.00 10.08 C ATOM 1616 C VAL A 108 29.688 1.310 19.654 1.00 10.25 C ATOM 1617 O VAL A 108 29.117 1.034 20.709 1.00 11.66 O ATOM 1618 CB VAL A 108 28.373 1.445 17.541 1.00 10.14 C ATOM 1619 CG1 VAL A 108 28.084 0.789 16.195 1.00 11.98 C ATOM 1620 CG2 VAL A 108 27.081 1.677 18.327 1.00 11.43 C ATOM 1621 HA VAL A 108 30.260 0.387 17.791 1.00 0.00 H ATOM 1622 HB VAL A 108 28.837 2.414 17.354 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.016 0.674 15.641 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.633 -0.190 16.359 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.397 1.416 15.627 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.609 0.718 18.538 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.313 2.183 19.264 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.404 2.295 17.737 1.00 0.00 H ATOM 1629 H VAL A 108 27.950 -0.804 19.283 1.00 0.00 H ATOM 1630 N ALA A 109 30.640 2.231 19.568 1.00 10.12 N ATOM 1631 CA ALA A 109 31.006 3.055 20.711 1.00 9.15 C ATOM 1632 C ALA A 109 30.308 4.388 20.475 1.00 10.26 C ATOM 1633 O ALA A 109 30.285 4.888 19.352 1.00 10.79 O ATOM 1634 CB ALA A 109 32.507 3.253 20.767 1.00 10.03 C ATOM 1635 HA ALA A 109 30.712 2.595 21.655 1.00 0.00 H ATOM 1636 HB1 ALA A 109 32.997 2.284 20.859 1.00 0.00 H ATOM 1637 HB2 ALA A 109 32.841 3.746 19.854 1.00 0.00 H ATOM 1638 HB3 ALA A 109 32.759 3.872 21.629 1.00 0.00 H ATOM 1639 H ALA A 109 31.136 2.367 18.664 1.00 0.00 H ATOM 1640 N CYS A 110 29.737 4.959 21.528 1.00 10.82 N ATOM 1641 CA CYS A 110 29.026 6.228 21.422 1.00 11.50 C ATOM 1642 C CYS A 110 29.642 7.289 22.320 1.00 12.38 C ATOM 1643 O CYS A 110 30.193 6.979 23.376 1.00 12.33 O ATOM 1644 CB CYS A 110 27.566 6.028 21.811 1.00 13.00 C ATOM 1645 SG CYS A 110 26.764 4.699 20.875 1.00 13.28 S ATOM 1646 HA CYS A 110 29.099 6.569 20.389 1.00 0.00 H ATOM 1647 HB2 CYS A 110 27.026 6.957 21.628 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.519 5.784 22.872 1.00 0.00 H ATOM 1649 H CYS A 110 29.798 4.489 22.454 1.00 0.00 H ATOM 1650 N GLU A 111 29.539 8.544 21.891 1.00 12.16 N ATOM 1651 CA GLU A 111 30.079 9.674 22.639 1.00 12.55 C ATOM 1652 C GLU A 111 29.259 10.926 22.389 1.00 13.54 C ATOM 1653 O GLU A 111 28.477 10.991 21.438 1.00 13.78 O ATOM 1654 CB GLU A 111 31.504 10.005 22.193 1.00 14.25 C ATOM 1655 CG GLU A 111 32.588 9.023 22.550 1.00 13.97 C ATOM 1656 CD GLU A 111 33.939 9.476 22.007 1.00 16.74 C ATOM 1657 OE1 GLU A 111 34.964 8.846 22.327 1.00 23.25 O ATOM 1658 OE2 GLU A 111 33.978 10.467 21.246 1.00 18.60 O ATOM 1659 HA GLU A 111 30.056 9.385 23.690 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.493 10.100 21.107 1.00 0.00 H ATOM 1661 HB3 GLU A 111 31.772 10.964 22.638 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.650 8.939 23.635 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.341 8.050 22.125 1.00 0.00 H ATOM 1664 H GLU A 111 29.055 8.726 20.989 1.00 0.00 H ATOM 1665 N GLY A 112 29.470 11.913 23.258 1.00 12.87 N ATOM 1666 CA GLY A 112 28.836 13.210 23.130 1.00 15.45 C ATOM 1667 C GLY A 112 27.389 13.435 23.507 1.00 16.68 C ATOM 1668 O GLY A 112 26.713 12.584 24.083 1.00 18.03 O ATOM 1669 HA3 GLY A 112 28.926 13.492 22.081 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.421 13.898 23.741 1.00 0.00 H ATOM 1671 H GLY A 112 30.113 11.747 24.058 1.00 0.00 H ATOM 1672 N ASN A 113 26.936 14.641 23.182 1.00 20.15 N ATOM 1673 CA ASN A 113 25.571 15.070 23.426 1.00 20.94 C ATOM 1674 C ASN A 113 25.143 15.858 22.193 1.00 20.98 C ATOM 1675 O ASN A 113 25.602 16.982 21.977 1.00 23.42 O ATOM 1676 CB ASN A 113 25.495 15.953 24.671 1.00 22.79 C ATOM 1677 CG ASN A 113 24.123 16.556 24.865 1.00 24.77 C ATOM 1678 OD1 ASN A 113 23.110 15.879 24.699 1.00 25.48 O ATOM 1679 ND2 ASN A 113 24.081 17.836 25.224 1.00 29.30 N ATOM 1680 HA ASN A 113 24.918 14.215 23.600 1.00 0.00 H ATOM 1681 HB2 ASN A 113 25.739 15.349 25.545 1.00 0.00 H ATOM 1682 HB3 ASN A 113 26.222 16.759 24.574 1.00 0.00 H ATOM 1683 HD22 ASN A 113 24.965 18.369 25.353 1.00 0.00 H ATOM 1684 HD21 ASN A 113 23.165 18.304 25.376 1.00 0.00 H ATOM 1685 H ASN A 113 27.592 15.310 22.731 1.00 0.00 H ATOM 1686 N PRO A 114 24.246 15.282 21.375 1.00 21.93 N ATOM 1687 CA PRO A 114 23.635 13.962 21.563 1.00 19.69 C ATOM 1688 C PRO A 114 24.624 12.801 21.613 1.00 18.46 C ATOM 1689 O PRO A 114 25.716 12.868 21.049 1.00 16.68 O ATOM 1690 CB PRO A 114 22.680 13.859 20.381 1.00 21.54 C ATOM 1691 CG PRO A 114 23.425 14.582 19.313 1.00 22.94 C ATOM 1692 CD PRO A 114 23.922 15.812 20.038 1.00 20.79 C ATOM 1693 HA PRO A 114 23.147 13.882 22.534 1.00 0.00 H ATOM 1694 HD3 PRO A 114 24.806 16.226 19.553 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.148 16.577 20.094 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.768 14.850 18.486 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.255 13.984 18.937 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.502 12.820 20.105 1.00 0.00 H ATOM 1699 HB3 PRO A 114 21.728 14.344 20.598 1.00 0.00 H ATOM 1700 N TYR A 115 24.219 11.743 22.304 1.00 17.50 N ATOM 1701 CA TYR A 115 25.028 10.542 22.459 1.00 15.63 C ATOM 1702 C TYR A 115 24.806 9.718 21.199 1.00 15.23 C ATOM 1703 O TYR A 115 23.775 9.066 21.049 1.00 16.42 O ATOM 1704 CB TYR A 115 24.548 9.785 23.695 1.00 13.94 C ATOM 1705 CG TYR A 115 25.532 8.788 24.258 1.00 13.54 C ATOM 1706 CD1 TYR A 115 26.811 9.184 24.642 1.00 12.97 C ATOM 1707 CD2 TYR A 115 25.159 7.462 24.469 1.00 11.26 C ATOM 1708 CE1 TYR A 115 27.700 8.280 25.231 1.00 12.53 C ATOM 1709 CE2 TYR A 115 26.031 6.555 25.055 1.00 13.54 C ATOM 1710 CZ TYR A 115 27.296 6.967 25.437 1.00 13.23 C ATOM 1711 OH TYR A 115 28.147 6.073 26.055 1.00 13.71 O ATOM 1712 HA TYR A 115 26.087 10.764 22.589 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.637 9.248 23.430 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.324 10.515 24.473 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.165 7.131 24.169 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.721 5.522 25.214 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.699 8.602 25.525 1.00 0.00 H ATOM 1718 HD1 TYR A 115 27.124 10.216 24.481 1.00 0.00 H ATOM 1719 HH TYR A 115 27.732 5.751 26.894 1.00 0.00 H ATOM 1720 H TYR A 115 23.282 11.773 22.755 1.00 0.00 H ATOM 1721 N VAL A 116 25.779 9.760 20.294 1.00 16.50 N ATOM 1722 CA VAL A 116 25.675 9.062 19.018 1.00 15.63 C ATOM 1723 C VAL A 116 26.883 8.181 18.709 1.00 13.79 C ATOM 1724 O VAL A 116 27.920 8.286 19.361 1.00 11.76 O ATOM 1725 CB VAL A 116 25.502 10.081 17.871 1.00 15.67 C ATOM 1726 CG1 VAL A 116 24.160 10.787 18.004 1.00 16.63 C ATOM 1727 CG2 VAL A 116 26.636 11.099 17.911 1.00 16.53 C ATOM 1728 HA VAL A 116 24.805 8.411 19.099 1.00 0.00 H ATOM 1729 HB VAL A 116 25.531 9.555 16.917 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.357 10.051 17.956 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.119 11.310 18.960 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.046 11.504 17.191 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.618 11.624 18.866 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.589 10.584 17.796 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.508 11.815 17.099 1.00 0.00 H ATOM 1736 H VAL A 116 26.639 10.306 20.502 1.00 0.00 H ATOM 1737 N PRO A 117 26.762 7.303 17.696 1.00 13.80 N ATOM 1738 CA PRO A 117 27.878 6.423 17.340 1.00 12.72 C ATOM 1739 C PRO A 117 29.076 7.182 16.774 1.00 12.26 C ATOM 1740 O PRO A 117 28.916 8.094 15.956 1.00 13.37 O ATOM 1741 CB PRO A 117 27.269 5.482 16.297 1.00 12.79 C ATOM 1742 CG PRO A 117 25.798 5.502 16.612 1.00 13.81 C ATOM 1743 CD PRO A 117 25.554 6.951 16.928 1.00 14.43 C ATOM 1744 HA PRO A 117 28.281 5.904 18.210 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.474 7.547 16.019 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.652 7.080 17.526 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.569 4.868 17.468 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.207 5.180 15.755 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.455 5.848 15.287 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.675 4.475 16.398 1.00 0.00 H ATOM 1751 N VAL A 118 30.273 6.800 17.206 1.00 11.64 N ATOM 1752 CA VAL A 118 31.503 7.428 16.727 1.00 11.58 C ATOM 1753 C VAL A 118 32.574 6.404 16.361 1.00 12.85 C ATOM 1754 O VAL A 118 33.664 6.761 15.925 1.00 14.57 O ATOM 1755 CB VAL A 118 32.090 8.398 17.770 1.00 12.09 C ATOM 1756 CG1 VAL A 118 31.126 9.550 18.000 1.00 14.16 C ATOM 1757 CG2 VAL A 118 32.374 7.665 19.078 1.00 12.10 C ATOM 1758 HA VAL A 118 31.220 7.980 15.831 1.00 0.00 H ATOM 1759 HB VAL A 118 33.032 8.798 17.394 1.00 0.00 H ATOM 1760 HG11 VAL A 118 30.966 10.081 17.062 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.176 9.160 18.364 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.547 10.232 18.739 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.446 7.244 19.466 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.090 6.863 18.896 1.00 0.00 H ATOM 1765 HG23 VAL A 118 32.788 8.366 19.803 1.00 0.00 H ATOM 1766 H VAL A 118 30.337 6.032 17.905 1.00 0.00 H ATOM 1767 N HIS A 119 32.257 5.127 16.526 1.00 11.61 N ATOM 1768 CA HIS A 119 33.209 4.069 16.217 1.00 10.43 C ATOM 1769 C HIS A 119 32.482 2.747 16.062 1.00 10.32 C ATOM 1770 O HIS A 119 31.561 2.448 16.815 1.00 10.86 O ATOM 1771 CB HIS A 119 34.247 3.973 17.350 1.00 13.36 C ATOM 1772 CG HIS A 119 34.957 2.653 17.434 1.00 11.30 C ATOM 1773 ND1 HIS A 119 35.948 2.273 16.553 1.00 14.17 N ATOM 1774 CD2 HIS A 119 34.839 1.637 18.322 1.00 12.33 C ATOM 1775 CE1 HIS A 119 36.411 1.084 16.897 1.00 12.59 C ATOM 1776 NE2 HIS A 119 35.754 0.675 17.968 1.00 13.89 N ATOM 1777 HA HIS A 119 33.717 4.299 15.280 1.00 0.00 H ATOM 1778 HB2 HIS A 119 34.993 4.752 17.195 1.00 0.00 H ATOM 1779 HB3 HIS A 119 33.735 4.145 18.297 1.00 0.00 H ATOM 1780 HD2 HIS A 119 34.146 1.591 19.162 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.200 0.534 16.384 1.00 0.00 H ATOM 1782 H HIS A 119 31.312 4.877 16.882 1.00 0.00 H ATOM 1783 N PHE A 120 32.879 1.963 15.067 1.00 10.06 N ATOM 1784 CA PHE A 120 32.269 0.654 14.877 1.00 9.56 C ATOM 1785 C PHE A 120 33.246 -0.314 15.535 1.00 10.00 C ATOM 1786 O PHE A 120 34.389 -0.431 15.103 1.00 11.65 O ATOM 1787 CB PHE A 120 32.125 0.325 13.392 1.00 10.31 C ATOM 1788 CG PHE A 120 31.353 -0.933 13.133 1.00 11.36 C ATOM 1789 CD1 PHE A 120 29.981 -0.894 12.914 1.00 10.98 C ATOM 1790 CD2 PHE A 120 31.989 -2.170 13.168 1.00 11.93 C ATOM 1791 CE1 PHE A 120 29.253 -2.072 12.739 1.00 11.96 C ATOM 1792 CE2 PHE A 120 31.270 -3.352 12.994 1.00 11.88 C ATOM 1793 CZ PHE A 120 29.896 -3.300 12.780 1.00 12.83 C ATOM 1794 HA PHE A 120 31.267 0.604 15.303 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.612 1.153 12.903 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.121 0.213 12.964 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.065 -2.216 13.334 1.00 0.00 H ATOM 1798 HE2 PHE A 120 31.783 -4.313 13.026 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.328 -4.220 12.645 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.177 -2.027 12.570 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.468 0.067 12.879 1.00 0.00 H ATOM 1802 H PHE A 120 33.628 2.284 14.421 1.00 0.00 H ATOM 1803 N ASP A 121 32.801 -1.008 16.578 1.00 9.59 N ATOM 1804 CA ASP A 121 33.683 -1.910 17.313 1.00 9.11 C ATOM 1805 C ASP A 121 33.732 -3.355 16.841 1.00 10.58 C ATOM 1806 O ASP A 121 34.813 -3.949 16.778 1.00 12.69 O ATOM 1807 CB ASP A 121 33.318 -1.878 18.805 1.00 10.48 C ATOM 1808 CG ASP A 121 34.514 -2.153 19.711 1.00 10.09 C ATOM 1809 OD1 ASP A 121 35.552 -1.476 19.546 1.00 12.29 O ATOM 1810 OD2 ASP A 121 34.418 -3.033 20.597 1.00 12.21 O ATOM 1811 HA ASP A 121 34.684 -1.525 17.118 1.00 0.00 H ATOM 1812 HB2 ASP A 121 32.918 -0.893 19.045 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.556 -2.634 18.994 1.00 0.00 H ATOM 1814 H ASP A 121 31.809 -0.907 16.875 1.00 0.00 H ATOM 1815 N ALA A 122 32.575 -3.925 16.523 1.00 11.07 N ATOM 1816 CA ALA A 122 32.521 -5.311 16.086 1.00 11.62 C ATOM 1817 C ALA A 122 31.104 -5.717 15.726 1.00 10.33 C ATOM 1818 O ALA A 122 30.162 -4.956 15.912 1.00 12.48 O ATOM 1819 CB ALA A 122 33.032 -6.215 17.198 1.00 14.71 C ATOM 1820 HA ALA A 122 33.147 -5.413 15.200 1.00 0.00 H ATOM 1821 HB1 ALA A 122 34.062 -5.949 17.436 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.408 -6.088 18.083 1.00 0.00 H ATOM 1823 HB3 ALA A 122 32.991 -7.253 16.868 1.00 0.00 H ATOM 1824 H ALA A 122 31.696 -3.373 16.587 1.00 0.00 H ATOM 1825 N SER A 123 30.975 -6.923 15.177 1.00 13.09 N ATOM 1826 CA SER A 123 29.673 -7.492 14.851 1.00 15.60 C ATOM 1827 C SER A 123 29.726 -8.905 15.425 1.00 15.87 C ATOM 1828 O SER A 123 30.771 -9.554 15.380 1.00 15.91 O ATOM 1829 CB SER A 123 29.439 -7.539 13.337 1.00 18.15 C ATOM 1830 OG SER A 123 30.279 -8.489 12.712 1.00 23.23 O ATOM 1831 HA SER A 123 28.857 -6.896 15.259 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.643 -6.554 12.916 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.399 -7.806 13.147 1.00 0.00 H ATOM 1834 HG SER A 123 31.225 -8.249 12.876 1.00 0.00 H ATOM 1835 H SER A 123 31.831 -7.477 14.974 1.00 0.00 H ATOM 1836 N VAL A 124 28.613 -9.373 15.979 1.00 15.18 N ATOM 1837 CA VAL A 124 28.569 -10.709 16.568 1.00 17.01 C ATOM 1838 C VAL A 124 27.275 -11.450 16.255 1.00 16.83 C ATOM 1839 O VAL A 124 26.289 -10.796 15.859 1.00 17.41 O ATOM 1840 CB VAL A 124 28.734 -10.645 18.109 1.00 16.48 C ATOM 1841 CG1 VAL A 124 30.094 -10.072 18.462 1.00 17.84 C ATOM 1842 CG2 VAL A 124 27.631 -9.796 18.722 1.00 18.17 C ATOM 1843 HA VAL A 124 29.399 -11.256 16.120 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.260 -12.683 16.432 1.00 19.71 O ATOM 1845 HB VAL A 124 28.661 -11.655 18.513 1.00 0.00 H ATOM 1846 HG11 VAL A 124 30.874 -10.707 18.043 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.182 -9.067 18.049 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.199 -10.031 19.546 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.683 -8.786 18.315 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.662 -10.235 18.485 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.760 -9.761 19.804 1.00 0.00 H ATOM 1852 H VAL A 124 27.760 -8.779 15.994 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 43.951 0.524 12.817 1.00 42.76 O HETATM 1855 O HOH 2 23.162 4.247 29.863 1.00 36.03 O HETATM 1856 O HOH 3 23.824 1.694 29.398 1.00 27.16 O HETATM 1857 O HOH 4 22.060 1.644 27.363 1.00 25.50 O HETATM 1858 O HOH 5 18.170 2.906 27.284 1.00 27.09 O HETATM 1859 O HOH 6 18.493 -1.080 26.627 1.00 17.13 O HETATM 1860 O HOH 7 23.950 -7.841 29.391 1.00 30.71 O HETATM 1861 O HOH 8 22.073 -5.180 29.764 1.00 21.68 O HETATM 1862 O HOH 9 17.103 -10.081 15.039 1.00 27.80 O HETATM 1863 O HOH 10 16.458 -7.937 12.651 1.00 36.53 O HETATM 1864 O HOH 11 17.413 -4.519 12.443 1.00 41.67 O HETATM 1865 O HOH 12 17.771 -1.918 12.573 1.00 42.39 O HETATM 1866 O HOH 13 14.478 -2.644 12.086 1.00 35.91 O HETATM 1867 O HOH 14 14.765 -2.511 14.684 1.00 31.08 O HETATM 1868 O HOH 15 17.268 -2.481 15.363 1.00 22.64 O HETATM 1869 O HOH 16 18.149 -3.357 17.829 1.00 18.92 O HETATM 1870 O HOH 17 17.822 0.157 16.680 1.00 18.67 O HETATM 1871 O HOH 18 17.992 7.090 19.845 1.00 40.28 O HETATM 1872 O HOH 19 17.265 6.814 17.024 1.00 22.70 O HETATM 1873 O HOH 20 18.441 9.524 16.753 1.00 31.82 O HETATM 1874 O HOH 21 20.576 12.673 17.522 1.00 35.08 O HETATM 1875 O HOH 22 22.345 13.779 15.594 1.00 24.78 O HETATM 1876 O HOH 23 23.260 16.525 15.945 1.00 35.37 O HETATM 1877 O HOH 24 26.367 18.325 14.231 1.00 35.63 O HETATM 1878 O HOH 25 27.923 16.242 13.629 1.00 31.04 O HETATM 1879 O HOH 26 28.859 15.786 16.272 1.00 25.14 O HETATM 1880 O HOH 27 30.775 14.061 17.012 1.00 20.52 O HETATM 1881 O HOH 28 29.589 12.797 19.274 1.00 21.41 O HETATM 1882 O HOH 29 27.214 14.264 19.403 1.00 21.07 O HETATM 1883 O HOH 30 26.404 14.659 16.823 1.00 22.61 O HETATM 1884 O HOH 31 24.882 12.913 15.095 1.00 20.46 O HETATM 1885 O HOH 32 24.913 10.529 13.689 1.00 19.06 O HETATM 1886 O HOH 33 27.150 8.944 13.988 1.00 16.64 O HETATM 1887 O HOH 34 26.672 13.439 11.093 1.00 32.17 O HETATM 1888 O HOH 35 25.595 14.721 13.115 1.00 36.80 O HETATM 1889 O HOH 36 22.861 12.851 10.826 1.00 24.87 O HETATM 1890 O HOH 37 21.138 12.576 12.993 1.00 29.29 O HETATM 1891 O HOH 38 24.067 12.652 7.548 1.00 38.27 O HETATM 1892 O HOH 39 23.052 13.173 5.114 1.00 27.90 O HETATM 1893 O HOH 40 26.188 11.461 6.317 1.00 52.69 O HETATM 1894 O HOH 41 29.355 12.243 6.983 1.00 26.96 O HETATM 1895 O HOH 42 31.574 13.893 6.508 1.00 34.40 O HETATM 1896 O HOH 43 33.354 14.621 4.476 1.00 32.82 O HETATM 1897 O HOH 44 36.553 12.679 3.988 1.00 36.62 O HETATM 1898 O HOH 45 37.339 16.092 6.792 1.00 43.68 O HETATM 1899 O HOH 46 33.622 18.395 6.034 1.00 47.77 O HETATM 1900 O HOH 47 33.187 21.043 7.293 1.00 33.75 O HETATM 1901 O HOH 48 32.826 19.545 10.717 1.00 30.03 O HETATM 1902 O HOH 49 30.258 17.267 10.517 1.00 34.12 O HETATM 1903 O HOH 50 29.026 18.238 17.571 1.00 28.85 O HETATM 1904 O HOH 51 31.455 19.081 17.539 1.00 43.87 O HETATM 1905 O HOH 52 32.201 16.182 19.155 1.00 41.29 O HETATM 1906 O HOH 53 33.730 15.431 17.117 1.00 29.88 O HETATM 1907 O HOH 54 32.553 12.818 20.029 1.00 28.60 O HETATM 1908 O HOH 55 35.523 10.057 19.242 1.00 28.45 O HETATM 1909 O HOH 56 36.196 7.884 17.798 1.00 23.75 O HETATM 1910 O HOH 57 34.254 8.499 14.015 1.00 19.77 O HETATM 1911 O HOH 58 33.739 5.949 12.557 1.00 18.11 O HETATM 1912 O HOH 59 39.706 4.373 11.901 1.00 35.39 O HETATM 1913 O HOH 60 41.680 3.813 9.729 1.00 56.14 O HETATM 1914 O HOH 61 42.313 1.209 10.366 1.00 36.62 O HETATM 1915 O HOH 62 41.213 -1.261 9.555 1.00 32.82 O HETATM 1916 O HOH 63 39.171 -1.100 11.127 1.00 36.77 O HETATM 1917 O HOH 64 36.671 0.306 10.858 1.00 32.39 O HETATM 1918 O HOH 65 35.693 -0.385 12.876 1.00 30.76 O HETATM 1919 O HOH 66 36.820 -2.401 13.914 1.00 40.11 O HETATM 1920 O HOH 67 37.112 -2.433 16.522 1.00 29.14 O HETATM 1921 O HOH 68 39.306 0.222 14.992 1.00 35.90 O HETATM 1922 O HOH 69 39.936 0.519 17.502 1.00 27.87 O HETATM 1923 O HOH 70 39.612 -0.978 19.740 1.00 26.68 O HETATM 1924 O HOH 71 37.317 -0.356 21.270 1.00 14.24 O HETATM 1925 O HOH 72 41.708 3.064 21.919 1.00 26.66 O HETATM 1926 O HOH 73 43.731 -0.202 23.622 1.00 41.14 O HETATM 1927 O HOH 74 41.458 -4.001 25.810 1.00 21.33 O HETATM 1928 O HOH 75 40.684 -6.451 22.606 1.00 26.53 O HETATM 1929 O HOH 76 39.993 -8.060 20.330 1.00 31.48 O HETATM 1930 O HOH 77 33.928 -9.356 18.987 1.00 21.77 O HETATM 1931 O HOH 78 33.148 -10.180 16.633 1.00 30.84 O HETATM 1932 O HOH 79 33.647 -8.092 14.422 1.00 26.02 O HETATM 1933 O HOH 80 31.497 -6.607 11.281 1.00 28.02 O HETATM 1934 O HOH 81 34.454 -4.233 11.269 1.00 28.58 O HETATM 1935 O HOH 82 34.469 -1.278 10.694 1.00 14.31 O HETATM 1936 O HOH 83 42.477 -3.045 11.285 1.00 37.33 O HETATM 1937 O HOH 84 45.590 -1.198 10.557 1.00 41.11 O HETATM 1938 O HOH 85 47.887 -1.478 6.718 1.00 26.42 O HETATM 1939 O HOH 86 46.709 -1.349 3.979 1.00 27.16 O HETATM 1940 O HOH 87 48.149 -1.619 0.073 1.00 30.44 O HETATM 1941 O HOH 88 52.004 0.401 -2.212 1.00 25.06 O HETATM 1942 O HOH 89 50.335 0.543 -6.524 1.00 42.31 O HETATM 1943 O HOH 90 48.176 -2.983 -7.464 1.00 38.71 O HETATM 1944 O HOH 91 45.877 -3.911 -6.064 1.00 33.47 O HETATM 1945 O HOH 92 48.956 -6.858 -6.910 1.00 39.05 O HETATM 1946 O HOH 93 50.880 -8.636 -4.380 1.00 52.77 O HETATM 1947 O HOH 94 49.894 -7.393 0.005 1.00 34.26 O HETATM 1948 O HOH 95 45.567 -5.570 5.066 1.00 35.11 O HETATM 1949 O HOH 96 42.399 -10.635 3.328 1.00 39.73 O HETATM 1950 O HOH 97 40.048 -10.469 2.064 1.00 36.72 O HETATM 1951 O HOH 98 42.959 -12.529 -0.354 1.00 40.07 O HETATM 1952 O HOH 99 45.371 -13.292 -2.110 1.00 39.99 O HETATM 1953 O HOH 100 43.883 -11.599 -3.501 1.00 37.52 O HETATM 1954 O HOH 101 41.246 -11.453 -4.688 1.00 37.70 O HETATM 1955 O HOH 102 43.308 -11.956 -7.984 1.00 39.81 O HETATM 1956 O HOH 103 40.604 -14.209 -9.221 1.00 50.03 O HETATM 1957 O HOH 104 38.127 -7.271 -5.044 1.00 35.41 O HETATM 1958 O HOH 105 34.931 -5.647 -3.309 1.00 16.12 O HETATM 1959 O HOH 106 34.447 -9.546 -3.076 1.00 22.00 O HETATM 1960 O HOH 107 28.494 -9.885 -2.587 1.00 32.86 O HETATM 1961 O HOH 108 23.941 -8.723 -5.413 1.00 22.38 O HETATM 1962 O HOH 109 25.880 -8.388 -7.491 1.00 26.74 O HETATM 1963 O HOH 110 28.953 -3.495 -8.786 1.00 23.65 O HETATM 1964 O HOH 111 26.418 -0.782 -10.265 1.00 36.30 O HETATM 1965 O HOH 112 25.786 -0.826 -7.721 1.00 40.76 O HETATM 1966 O HOH 113 28.984 -1.353 -5.709 1.00 35.68 O HETATM 1967 O HOH 114 25.693 0.244 -3.717 1.00 32.69 O HETATM 1968 O HOH 115 24.871 -2.115 -3.493 1.00 29.54 O HETATM 1969 O HOH 116 24.596 -3.336 -1.005 1.00 30.25 O HETATM 1970 O HOH 117 24.236 -5.387 0.544 1.00 48.93 O HETATM 1971 O HOH 118 23.579 -7.627 4.350 1.00 24.66 O HETATM 1972 O HOH 119 22.076 -9.855 4.000 1.00 47.66 O HETATM 1973 O HOH 120 23.615 -11.123 0.606 1.00 39.69 O HETATM 1974 O HOH 121 18.777 -8.532 5.653 1.00 31.71 O HETATM 1975 O HOH 122 19.176 -8.335 9.972 1.00 26.21 O HETATM 1976 O HOH 123 17.709 -6.268 8.991 1.00 27.79 O HETATM 1977 O HOH 124 17.108 -10.520 9.543 1.00 40.20 O HETATM 1978 O HOH 125 17.529 -12.722 13.426 1.00 44.21 O HETATM 1979 O HOH 126 18.239 -11.109 17.668 1.00 34.37 O HETATM 1980 O HOH 127 20.473 -10.699 21.081 1.00 40.96 O HETATM 1981 O HOH 128 22.097 -8.571 21.114 1.00 25.03 O HETATM 1982 O HOH 129 20.914 -15.200 18.330 1.00 39.31 O HETATM 1983 O HOH 130 24.027 -12.367 15.302 1.00 27.71 O HETATM 1984 O HOH 131 24.114 -13.658 13.032 1.00 35.13 O HETATM 1985 O HOH 132 24.820 -14.720 10.733 1.00 51.75 O HETATM 1986 O HOH 133 25.265 -13.422 8.539 1.00 30.08 O HETATM 1987 O HOH 134 22.765 -13.851 7.093 1.00 36.47 O HETATM 1988 O HOH 135 27.303 -15.631 10.362 1.00 33.57 O HETATM 1989 O HOH 136 30.296 -12.784 10.778 1.00 46.87 O HETATM 1990 O HOH 137 30.253 -12.995 7.977 1.00 36.43 O HETATM 1991 O HOH 138 34.854 -9.676 3.608 1.00 21.56 O HETATM 1992 O HOH 139 39.321 -9.486 8.590 1.00 43.99 O HETATM 1993 O HOH 140 43.920 -13.641 7.874 1.00 42.19 O HETATM 1994 O HOH 141 41.949 2.431 14.906 1.00 33.98 O HETATM 1995 O HOH 142 43.387 4.087 16.612 1.00 47.95 O HETATM 1996 O HOH 143 42.218 1.723 17.434 1.00 33.93 O HETATM 1997 O HOH 144 41.766 6.187 18.477 1.00 31.19 O HETATM 1998 O HOH 145 38.753 6.334 22.615 1.00 22.26 O HETATM 1999 O HOH 146 35.716 7.180 24.046 1.00 22.53 O HETATM 2000 O HOH 147 31.179 7.784 26.023 1.00 13.20 O HETATM 2001 O HOH 148 29.837 4.005 29.612 1.00 40.70 O HETATM 2002 O HOH 149 31.984 4.682 33.009 1.00 24.77 O HETATM 2003 O HOH 150 26.026 2.206 33.296 1.00 40.88 O HETATM 2004 O HOH 151 25.073 0.446 31.391 1.00 20.90 O HETATM 2005 O HOH 152 25.621 -3.855 31.990 1.00 36.07 O HETATM 2006 O HOH 153 24.715 -4.721 29.829 1.00 31.22 O HETATM 2007 O HOH 154 28.174 -2.968 31.307 1.00 44.99 O HETATM 2008 O HOH 155 30.832 -1.621 29.450 1.00 32.59 O HETATM 2009 O HOH 156 30.538 -6.413 28.934 1.00 23.30 O HETATM 2010 O HOH 157 27.736 -6.513 29.253 1.00 24.05 O HETATM 2011 O HOH 158 28.657 -9.796 25.735 1.00 29.17 O HETATM 2012 O HOH 159 28.843 -9.588 22.667 1.00 16.10 O HETATM 2013 O HOH 160 31.997 -7.028 24.986 1.00 12.71 O HETATM 2014 O HOH 161 32.932 -5.021 21.828 1.00 11.15 O HETATM 2015 O HOH 162 40.617 5.216 20.860 1.00 27.28 O HETATM 2016 O HOH 163 22.532 12.098 26.401 1.00 30.37 O HETATM 2017 O HOH 164 22.415 12.818 24.099 1.00 46.15 O HETATM 2018 O HOH 165 20.777 11.564 22.856 1.00 37.01 O HETATM 2019 O HOH 166 19.676 11.302 20.437 1.00 47.70 O HETATM 2020 O HOH 167 21.388 8.629 22.445 1.00 25.37 O HETATM 2021 O HOH 168 20.314 6.096 21.374 1.00 27.68 O HETATM 2022 O HOH 169 22.410 8.061 18.971 1.00 22.33 O HETATM 2023 O HOH 170 21.155 16.539 22.447 1.00 35.49 O HETATM 2024 O HOH 171 21.710 20.418 26.156 1.00 42.27 O HETATM 2025 O HOH 172 22.747 22.371 24.330 1.00 47.23 O HETATM 2026 O HOH 173 26.287 19.873 25.130 1.00 41.03 O HETATM 2027 O HOH 174 27.872 18.747 23.070 1.00 35.82 O HETATM 2028 O HOH 175 29.314 16.633 22.726 1.00 32.60 O HETATM 2029 O HOH 176 28.310 16.828 19.770 1.00 44.36 O HETATM 2030 O HOH 177 25.226 12.879 26.480 1.00 21.33 O HETATM 2031 O HOH 178 23.140 4.589 26.838 1.00 34.25 O HETATM 2032 O HOH 179 35.970 12.119 22.079 1.00 24.83 O HETATM 2033 O HOH 180 37.216 12.986 13.760 1.00 37.51 O HETATM 2034 O HOH 181 37.559 13.461 10.599 1.00 39.57 O HETATM 2035 O HOH 182 38.235 18.070 12.794 1.00 47.54 O HETATM 2036 O HOH 183 38.976 8.738 13.754 1.00 43.50 O HETATM 2037 O HOH 184 38.580 8.598 6.952 1.00 39.52 O HETATM 2038 O HOH 185 39.498 6.971 -1.065 1.00 30.99 O HETATM 2039 O HOH 186 43.784 5.092 -3.278 1.00 23.97 O HETATM 2040 O HOH 187 45.262 7.296 -3.799 1.00 40.36 O HETATM 2041 O HOH 188 40.982 2.646 -3.889 1.00 35.49 O HETATM 2042 O HOH 189 39.110 0.523 -3.227 1.00 26.25 O HETATM 2043 O HOH 190 37.320 1.396 -6.760 1.00 35.88 O HETATM 2044 O HOH 191 35.310 2.859 -7.879 1.00 34.67 O HETATM 2045 O HOH 192 36.052 4.604 -9.825 1.00 45.31 O HETATM 2046 O HOH 193 35.153 7.453 -6.328 1.00 38.27 O HETATM 2047 O HOH 194 31.122 3.582 -9.079 1.00 33.68 O HETATM 2048 O HOH 195 30.642 3.761 -4.369 1.00 30.29 O HETATM 2049 O HOH 196 29.404 6.456 -1.328 1.00 24.97 O HETATM 2050 O HOH 197 25.222 2.445 -1.846 1.00 39.07 O HETATM 2051 O HOH 198 23.552 5.377 1.133 1.00 24.27 O HETATM 2052 O HOH 199 23.752 5.970 4.482 1.00 19.44 O HETATM 2053 O HOH 200 21.664 6.661 7.164 1.00 21.05 O HETATM 2054 O HOH 201 19.262 5.392 1.966 1.00 39.10 O HETATM 2055 O HOH 202 17.269 4.475 3.288 1.00 36.09 O HETATM 2056 O HOH 203 17.704 0.925 5.584 1.00 29.03 O HETATM 2057 O HOH 204 18.576 -0.589 2.691 1.00 31.02 O HETATM 2058 O HOH 205 16.611 -2.179 2.857 1.00 41.76 O HETATM 2059 O HOH 206 14.606 -0.845 2.028 1.00 36.39 O HETATM 2060 O HOH 207 18.400 -3.301 5.281 1.00 45.36 O HETATM 2061 O HOH 208 16.582 0.035 9.406 1.00 16.81 O HETATM 2062 O HOH 209 13.177 -0.096 12.093 1.00 53.60 O HETATM 2063 O HOH 210 14.464 -5.283 14.329 1.00 35.94 O HETATM 2064 O HOH 211 14.065 3.806 11.106 1.00 37.60 O HETATM 2065 O HOH 212 12.967 5.791 13.619 1.00 38.62 O HETATM 2066 O HOH 213 49.010 3.400 8.559 1.00 41.49 O HETATM 2067 O HOH 214 48.841 6.161 6.516 1.00 44.28 O HETATM 2068 O HOH 215 49.838 9.197 -1.250 1.00 45.30 O HETATM 2069 O HOH 216 44.892 2.949 -8.659 1.00 43.30 O HETATM 2070 O HOH 217 42.746 -1.308 -8.062 1.00 47.18 O HETATM 2071 O HOH 218 40.472 -2.415 -6.500 1.00 36.30 O HETATM 2072 O HOH 219 38.646 -0.866 -7.910 1.00 39.27 O HETATM 2073 O HOH 220 40.337 -5.149 -7.788 1.00 37.68 O HETATM 2074 O HOH 221 38.144 -5.522 -9.292 1.00 37.28 O HETATM 2075 O HOH 222 35.561 -4.510 -8.228 1.00 40.82 O HETATM 2076 O HOH 223 33.142 -8.707 -9.970 1.00 25.49 O HETATM 2077 O HOH 224 31.702 -5.907 -12.694 1.00 34.56 O HETATM 2078 O HOH 225 47.240 -4.113 6.995 1.00 33.24 O HETATM 2079 P1 A A 3 41.235 6.255 14.491 1.00 0.20 P HETATM 2080 O1P A A 3 40.273 6.520 13.346 1.00 -0.55 O HETATM 2081 O2P A A 3 42.087 5.015 14.271 1.00 -0.55 O HETATM 2082 O3P A A 3 42.066 7.475 14.850 1.00 -0.55 O HETATM 2083 O3 A A 3 40.325 5.948 15.787 1.00 -0.27 O HETATM 2084 C3 A A 3 39.260 5.006 15.694 1.00 0.15 C HETATM 2085 C4 A A 3 37.914 5.723 15.804 1.00 0.12 C HETATM 2086 C5 A A 3 36.849 5.254 14.846 1.00 0.11 C HETATM 2087 O5 A A 3 37.012 3.856 14.576 1.00 -0.27 O HETATM 2088 P2 A A 3 36.399 3.192 13.222 1.00 0.20 P HETATM 2089 O4P A A 3 34.904 3.425 13.317 1.00 -0.55 O HETATM 2090 O5P A A 3 37.062 3.903 12.059 1.00 -0.55 O HETATM 2091 O6P A A 3 36.782 1.725 13.321 1.00 -0.55 O HETATM 2092 H1 A A 3 35.858 5.426 15.291 1.00 0.06 H HETATM 2093 H2 A A 3 36.931 5.818 13.905 1.00 0.06 H HETATM 2094 O4 A A 3 37.458 5.538 17.174 1.00 -0.34 O HETATM 2095 C1 A A 3 38.475 4.907 17.919 1.00 0.20 C HETATM 2096 C2 A A 3 39.252 4.072 16.904 1.00 0.14 C HETATM 2097 O2 A A 3 40.548 3.781 17.387 1.00 -0.38 O HETATM 2098 H6 A A 3 41.053 3.361 16.701 1.00 0.21 H HETATM 2099 H5 A A 3 38.732 3.131 16.673 1.00 0.07 H HETATM 2100 N9 A A 3 37.865 4.161 19.023 1.00 -0.19 N HETATM 2101 C8 A A 3 38.113 2.868 19.425 1.00 0.11 C HETATM 2102 N7 A A 3 37.441 2.507 20.491 1.00 -0.30 N HETATM 2103 C5 A A 3 36.690 3.632 20.808 1.00 0.10 C HETATM 2104 C6 A A 3 35.780 3.901 21.848 1.00 0.13 C HETATM 2105 N6 A A 3 35.463 3.022 22.805 1.00 -0.32 N HETATM 2106 H9 A A 3 34.789 3.281 23.539 1.00 0.18 H HETATM 2107 H10 A A 3 35.893 2.086 22.808 1.00 0.18 H HETATM 2108 N1 A A 3 35.202 5.124 21.876 1.00 -0.27 N HETATM 2109 C2 A A 3 35.527 6.007 20.922 1.00 0.05 C HETATM 2110 N3 A A 3 36.373 5.873 19.900 1.00 -0.27 N HETATM 2111 C4 A A 3 36.929 4.651 19.902 1.00 0.16 C HETATM 2112 H11 A A 3 35.031 6.968 20.991 1.00 0.10 H HETATM 2113 H8 A A 3 38.804 2.206 18.905 1.00 0.13 H HETATM 2114 H7 A A 3 39.152 5.660 18.350 1.00 0.10 H HETATM 2115 H3 A A 3 38.080 6.794 15.617 1.00 0.07 H HETATM 2116 H4 A A 3 39.340 4.441 14.753 1.00 0.07 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 2079 2080 2081 2082 2083 CONECT 2080 2079 CONECT 2081 2079 CONECT 2082 2079 CONECT 2083 2079 2084 CONECT 2084 2083 2085 2096 2116 CONECT 2085 2084 2086 2094 2115 CONECT 2086 2085 2087 2092 2093 CONECT 2087 2086 2088 CONECT 2088 2087 2089 2090 2091 CONECT 2089 2088 CONECT 2090 2088 CONECT 2091 2088 CONECT 2092 2086 CONECT 2093 2086 CONECT 2094 2085 2095 CONECT 2095 2094 2096 2100 2114 CONECT 2096 2084 2095 2097 2099 CONECT 2097 2096 2098 CONECT 2098 2097 CONECT 2099 2096 CONECT 2100 2095 2101 2111 CONECT 2101 2100 2102 2113 CONECT 2102 2101 2103 CONECT 2103 2102 2104 2111 CONECT 2104 2103 2105 2108 CONECT 2105 2104 2106 2107 CONECT 2106 2105 CONECT 2107 2105 CONECT 2108 2104 2109 CONECT 2109 2108 2110 2112 CONECT 2110 2109 2111 CONECT 2111 2100 2103 2110 CONECT 2112 2109 CONECT 2113 2101 CONECT 2114 2095 CONECT 2115 2085 CONECT 2116 2084 MASTER 0 0 0 0 0 0 0 0 2115 1 50 10 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 1o0f
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%
1o0h
RCSB PDB
PDBbind
124aa, >1O0H_1|Chains... at 99%
1o0m
RCSB PDB
PDBbind
124aa, >1O0M_1|Chains... at 99%
1o0n
RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
124aa, >1RNM_1|Chain... at 99%
1rpf
RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
1w4o
RCSB PDB
PDBbind
124aa, >1W4O_1|Chains... at 99%
1w4p
RCSB PDB
PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
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
1hi4
RCSB PDB
PDBbind
A3P
1vkj
RCSB PDB
PDBbind
A3P
5mek
RCSB PDB
PDBbind
A3P
Entry Information
PDB ID
1o0f
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease a
Ligand Name
A3P
EC.Number
E.C.3.1.27.5
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Ki=5uM
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
-4.97 (
Computed with XLOGP3
)
-2.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@H](OP(O)(O)O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(O)(O)O
InChI String
InChI=1S/C10H19N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/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
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com