Browse entries in the PDBbind-CN Database
HEADER 3D7B_COMPLEX COMPND 3D7B_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 U A 4S 41 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 ATOM 1 N LYS A 1 34.429 21.516 9.800 1.00 16.73 N ATOM 2 CA LYS A 1 35.282 20.334 10.125 1.00 16.56 C ATOM 3 C LYS A 1 34.445 19.116 10.518 1.00 16.15 C ATOM 4 O LYS A 1 33.363 19.254 11.099 1.00 16.08 O ATOM 5 CB LYS A 1 36.309 20.676 11.215 1.00 16.65 C ATOM 6 CG LYS A 1 35.719 21.176 12.531 1.00 17.25 C ATOM 7 CD LYS A 1 36.813 21.498 13.542 1.00 17.04 C ATOM 8 CE LYS A 1 36.233 21.780 14.920 1.00 18.05 C ATOM 9 NZ LYS A 1 35.529 20.601 15.499 1.00 18.61 N ATOM 10 HA LYS A 1 35.827 20.071 9.218 1.00 0.00 H ATOM 11 HB2 LYS A 1 36.890 19.778 11.425 1.00 0.00 H ATOM 12 HB3 LYS A 1 36.969 21.451 10.825 1.00 0.00 H ATOM 13 HG2 LYS A 1 35.136 22.077 12.339 1.00 0.00 H ATOM 14 HG3 LYS A 1 35.069 20.405 12.945 1.00 0.00 H ATOM 15 HD2 LYS A 1 37.493 20.649 13.611 1.00 0.00 H ATOM 16 HD3 LYS A 1 37.363 22.376 13.202 1.00 0.00 H ATOM 17 HE2 LYS A 1 35.525 22.604 14.839 1.00 0.00 H ATOM 18 HE3 LYS A 1 37.045 22.065 15.589 1.00 0.00 H ATOM 19 HZ1 LYS A 1 34.746 20.325 14.873 1.00 0.00 H ATOM 20 HZ2 LYS A 1 36.198 19.810 15.590 1.00 0.00 H ATOM 21 HZ3 LYS A 1 35.154 20.849 16.437 1.00 0.00 H ATOM 22 HN3 LYS A 1 33.857 21.768 10.631 1.00 0.00 H ATOM 23 HN2 LYS A 1 33.802 21.281 9.004 1.00 0.00 H ATOM 24 HN1 LYS A 1 35.036 22.319 9.539 1.00 0.00 H ATOM 25 N GLU A 2 34.965 17.932 10.192 1.00 15.57 N ATOM 26 CA GLU A 2 34.264 16.666 10.390 1.00 14.91 C ATOM 27 C GLU A 2 34.250 16.237 11.854 1.00 14.28 C ATOM 28 O GLU A 2 35.296 15.971 12.451 1.00 14.11 O ATOM 29 CB GLU A 2 34.880 15.561 9.516 1.00 15.17 C ATOM 30 CG GLU A 2 34.140 14.226 9.592 1.00 15.25 C ATOM 31 CD GLU A 2 34.720 13.135 8.698 1.00 15.01 C ATOM 32 OE1 GLU A 2 35.901 12.761 8.864 1.00 15.16 O ATOM 33 OE2 GLU A 2 33.967 12.620 7.850 1.00 15.60 O ATOM 34 HA GLU A 2 33.229 16.824 10.086 1.00 0.00 H ATOM 35 HB2 GLU A 2 34.873 15.899 8.480 1.00 0.00 H ATOM 36 HB3 GLU A 2 35.909 15.402 9.838 1.00 0.00 H ATOM 37 HG2 GLU A 2 34.173 13.876 10.624 1.00 0.00 H ATOM 38 HG3 GLU A 2 33.103 14.393 9.299 1.00 0.00 H ATOM 39 H GLU A 2 35.918 17.909 9.776 1.00 0.00 H ATOM 40 N THR A 3 33.048 16.170 12.417 1.00 13.55 N ATOM 41 CA THR A 3 32.849 15.659 13.772 1.00 12.78 C ATOM 42 C THR A 3 33.028 14.139 13.796 1.00 12.33 C ATOM 43 O THR A 3 32.972 13.480 12.754 1.00 12.12 O ATOM 44 CB THR A 3 31.447 16.009 14.312 1.00 12.84 C ATOM 45 OG1 THR A 3 30.444 15.372 13.506 1.00 13.06 O ATOM 46 CG2 THR A 3 31.223 17.521 14.324 1.00 12.91 C ATOM 47 HA THR A 3 33.595 16.133 14.410 1.00 0.00 H ATOM 48 HB THR A 3 31.375 15.647 15.338 1.00 0.00 H ATOM 49 HG1 THR A 3 29.547 15.600 13.857 1.00 0.00 H ATOM 50 HG23 THR A 3 31.989 17.996 14.938 1.00 0.00 H ATOM 51 HG21 THR A 3 31.283 17.904 13.305 1.00 0.00 H ATOM 52 HG22 THR A 3 30.238 17.738 14.737 1.00 0.00 H ATOM 53 H THR A 3 32.221 16.492 11.875 1.00 0.00 H ATOM 54 N ALA A 4 33.235 13.593 14.991 1.00 11.79 N ATOM 55 CA ALA A 4 33.344 12.147 15.180 1.00 11.40 C ATOM 56 C ALA A 4 32.083 11.422 14.707 1.00 11.12 C ATOM 57 O ALA A 4 32.172 10.359 14.092 1.00 11.36 O ATOM 58 CB ALA A 4 33.623 11.828 16.630 1.00 11.48 C ATOM 59 HA ALA A 4 34.177 11.793 14.572 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.559 12.299 16.931 1.00 0.00 H ATOM 61 HB2 ALA A 4 32.809 12.208 17.247 1.00 0.00 H ATOM 62 HB3 ALA A 4 33.701 10.748 16.755 1.00 0.00 H ATOM 63 H ALA A 4 33.322 14.216 15.819 1.00 0.00 H ATOM 64 N ALA A 5 30.920 12.004 14.999 1.00 10.93 N ATOM 65 CA ALA A 5 29.630 11.471 14.544 1.00 10.61 C ATOM 66 C ALA A 5 29.553 11.424 13.017 1.00 10.57 C ATOM 67 O ALA A 5 29.119 10.420 12.433 1.00 9.87 O ATOM 68 CB ALA A 5 28.480 12.308 15.112 1.00 10.96 C ATOM 69 HA ALA A 5 29.540 10.449 14.913 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.514 12.278 16.201 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.580 13.339 14.772 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.530 11.900 14.766 1.00 0.00 H ATOM 73 H ALA A 5 30.927 12.871 15.573 1.00 0.00 H ATOM 74 N ALA A 6 29.983 12.507 12.372 1.00 10.10 N ATOM 75 CA ALA A 6 30.013 12.571 10.911 1.00 9.98 C ATOM 76 C ALA A 6 30.991 11.564 10.315 1.00 10.06 C ATOM 77 O ALA A 6 30.693 10.935 9.302 1.00 9.99 O ATOM 78 CB ALA A 6 30.353 13.985 10.443 1.00 10.30 C ATOM 79 HA ALA A 6 29.017 12.309 10.555 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.599 14.680 10.813 1.00 0.00 H ATOM 81 HB2 ALA A 6 31.332 14.269 10.830 1.00 0.00 H ATOM 82 HB3 ALA A 6 30.370 14.011 9.353 1.00 0.00 H ATOM 83 H ALA A 6 30.306 13.329 12.922 1.00 0.00 H ATOM 84 N LYS A 7 32.146 11.413 10.960 1.00 9.58 N ATOM 85 CA LYS A 7 33.157 10.454 10.529 1.00 9.51 C ATOM 86 C LYS A 7 32.600 9.029 10.600 1.00 8.85 C ATOM 87 O LYS A 7 32.766 8.254 9.659 1.00 9.16 O ATOM 88 CB LYS A 7 34.423 10.597 11.374 1.00 9.77 C ATOM 89 CG LYS A 7 35.565 9.690 10.954 1.00 10.62 C ATOM 90 CD LYS A 7 36.785 9.928 11.818 1.00 13.58 C ATOM 91 CE LYS A 7 38.020 9.319 11.190 1.00 14.70 C ATOM 92 NZ LYS A 7 39.232 9.606 11.997 1.00 16.34 N ATOM 93 HA LYS A 7 33.422 10.662 9.492 1.00 0.00 H ATOM 94 HB2 LYS A 7 34.765 11.630 11.304 1.00 0.00 H ATOM 95 HB3 LYS A 7 34.169 10.369 12.409 1.00 0.00 H ATOM 96 HG2 LYS A 7 35.252 8.651 11.055 1.00 0.00 H ATOM 97 HG3 LYS A 7 35.819 9.892 9.913 1.00 0.00 H ATOM 98 HD2 LYS A 7 36.936 11.001 11.935 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.623 9.477 12.797 1.00 0.00 H ATOM 100 HE2 LYS A 7 38.152 9.734 10.191 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.887 8.239 11.119 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.367 10.635 12.064 1.00 0.00 H ATOM 103 HZ2 LYS A 7 39.114 9.208 12.951 1.00 0.00 H ATOM 104 HZ3 LYS A 7 40.061 9.175 11.540 1.00 0.00 H ATOM 105 H LYS A 7 32.334 11.998 11.799 1.00 0.00 H ATOM 106 N PHE A 8 31.912 8.701 11.693 1.00 8.29 N ATOM 107 CA PHE A 8 31.207 7.415 11.789 1.00 7.59 C ATOM 108 C PHE A 8 30.225 7.218 10.622 1.00 7.85 C ATOM 109 O PHE A 8 30.188 6.149 10.008 1.00 7.54 O ATOM 110 CB PHE A 8 30.472 7.276 13.128 1.00 7.66 C ATOM 111 CG PHE A 8 29.694 5.990 13.247 1.00 6.47 C ATOM 112 CD1 PHE A 8 28.393 5.891 12.753 1.00 7.10 C ATOM 113 CD2 PHE A 8 30.288 4.862 13.805 1.00 7.05 C ATOM 114 CE1 PHE A 8 27.686 4.689 12.837 1.00 6.33 C ATOM 115 CE2 PHE A 8 29.592 3.656 13.903 1.00 5.95 C ATOM 116 CZ PHE A 8 28.287 3.566 13.415 1.00 6.87 C ATOM 117 HA PHE A 8 31.966 6.635 11.731 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.207 7.313 13.932 1.00 0.00 H ATOM 119 HB3 PHE A 8 29.779 8.111 13.232 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.313 4.921 14.171 1.00 0.00 H ATOM 121 HE2 PHE A 8 30.066 2.787 14.359 1.00 0.00 H ATOM 122 HZ PHE A 8 27.740 2.626 13.484 1.00 0.00 H ATOM 123 HE1 PHE A 8 26.668 4.626 12.453 1.00 0.00 H ATOM 124 HD1 PHE A 8 27.923 6.762 12.296 1.00 0.00 H ATOM 125 H PHE A 8 31.873 9.366 12.492 1.00 0.00 H ATOM 126 N GLU A 9 29.429 8.245 10.323 1.00 7.73 N ATOM 127 CA GLU A 9 28.488 8.161 9.211 1.00 7.93 C ATOM 128 C GLU A 9 29.210 7.911 7.880 1.00 7.46 C ATOM 129 O GLU A 9 28.785 7.063 7.086 1.00 7.84 O ATOM 130 CB GLU A 9 27.612 9.414 9.137 1.00 7.84 C ATOM 131 CG GLU A 9 26.652 9.528 10.319 1.00 9.07 C ATOM 132 CD GLU A 9 25.600 10.598 10.138 1.00 11.07 C ATOM 133 OE1 GLU A 9 25.161 10.824 8.986 1.00 12.39 O ATOM 134 OE2 GLU A 9 25.200 11.201 11.158 1.00 11.95 O ATOM 135 HA GLU A 9 27.837 7.306 9.395 1.00 0.00 H ATOM 136 HB2 GLU A 9 28.258 10.292 9.125 1.00 0.00 H ATOM 137 HB3 GLU A 9 27.030 9.380 8.216 1.00 0.00 H ATOM 138 HG2 GLU A 9 26.151 8.569 10.451 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.231 9.760 11.213 1.00 0.00 H ATOM 140 H GLU A 9 29.479 9.116 10.889 1.00 0.00 H ATOM 141 N ARG A 10 30.317 8.617 7.653 1.00 7.73 N ATOM 142 CA ARG A 10 31.083 8.453 6.414 1.00 7.70 C ATOM 143 C ARG A 10 31.722 7.064 6.316 1.00 7.80 C ATOM 144 O ARG A 10 31.706 6.431 5.258 1.00 8.15 O ATOM 145 CB ARG A 10 32.159 9.531 6.295 1.00 8.00 C ATOM 146 CG ARG A 10 33.024 9.385 5.049 1.00 7.41 C ATOM 147 CD ARG A 10 34.029 10.519 4.893 1.00 7.84 C ATOM 148 NE ARG A 10 34.850 10.726 6.083 1.00 8.33 N ATOM 149 CZ ARG A 10 35.975 10.070 6.362 1.00 8.80 C ATOM 150 NH1 ARG A 10 36.435 9.134 5.543 1.00 9.09 N ATOM 151 NH2 ARG A 10 36.639 10.351 7.478 1.00 9.96 N ATOM 152 HA ARG A 10 30.380 8.558 5.588 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.671 10.505 6.266 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.803 9.475 7.172 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.568 8.443 5.111 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.375 9.371 4.173 1.00 0.00 H ATOM 157 HD2 ARG A 10 33.484 11.439 4.683 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.686 10.288 4.054 1.00 0.00 H ATOM 159 HE ARG A 10 34.531 11.442 6.766 1.00 0.00 H ATOM 160 HH12 ARG A 10 37.315 8.629 5.772 1.00 0.00 H ATOM 161 HH11 ARG A 10 35.916 8.905 4.671 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.518 9.843 7.702 1.00 0.00 H ATOM 163 HH21 ARG A 10 36.280 11.079 8.128 1.00 0.00 H ATOM 164 H ARG A 10 30.644 9.297 8.368 1.00 0.00 H ATOM 165 N GLN A 11 32.265 6.587 7.429 1.00 7.90 N ATOM 166 CA GLN A 11 33.014 5.336 7.418 1.00 8.09 C ATOM 167 C GLN A 11 32.106 4.115 7.485 1.00 7.71 C ATOM 168 O GLN A 11 32.463 3.055 6.973 1.00 8.15 O ATOM 169 CB GLN A 11 33.997 5.286 8.590 1.00 7.91 C ATOM 170 CG GLN A 11 35.169 6.255 8.494 1.00 9.22 C ATOM 171 CD GLN A 11 36.314 5.875 9.432 1.00 9.41 C ATOM 172 OE1 GLN A 11 37.491 6.085 9.115 1.00 12.09 O ATOM 173 NE2 GLN A 11 35.977 5.301 10.581 1.00 9.86 N ATOM 174 HA GLN A 11 33.555 5.309 6.472 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.446 5.512 9.503 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.399 4.275 8.651 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.541 6.256 7.469 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.820 7.255 8.753 1.00 0.00 H ATOM 179 HE22 GLN A 11 34.975 5.143 10.809 1.00 0.00 H ATOM 180 HE21 GLN A 11 36.715 5.010 11.253 1.00 0.00 H ATOM 181 H GLN A 11 32.155 7.112 8.320 1.00 0.00 H ATOM 182 N HIS A 12 30.941 4.249 8.120 1.00 7.36 N ATOM 183 CA HIS A 12 30.197 3.054 8.523 1.00 7.18 C ATOM 184 C HIS A 12 28.713 2.972 8.165 1.00 7.59 C ATOM 185 O HIS A 12 28.104 1.924 8.377 1.00 7.71 O ATOM 186 CB HIS A 12 30.378 2.797 10.027 1.00 7.37 C ATOM 187 CG HIS A 12 31.801 2.580 10.436 1.00 6.15 C ATOM 188 ND1 HIS A 12 32.555 1.515 9.989 1.00 4.88 N ATOM 189 CD2 HIS A 12 32.606 3.289 11.264 1.00 6.24 C ATOM 190 CE1 HIS A 12 33.759 1.572 10.528 1.00 5.32 C ATOM 191 NE2 HIS A 12 33.817 2.641 11.306 1.00 4.91 N ATOM 192 HA HIS A 12 30.648 2.275 7.909 1.00 0.00 H ATOM 193 HB2 HIS A 12 29.991 3.658 10.572 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.804 1.910 10.296 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.342 4.202 11.797 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.567 0.860 10.361 1.00 0.00 H ATOM 197 H HIS A 12 30.564 5.196 8.328 1.00 0.00 H ATOM 198 N MET A 13 28.135 4.052 7.636 1.00 7.62 N ATOM 199 CA MET A 13 26.714 4.058 7.290 1.00 8.03 C ATOM 200 C MET A 13 26.502 3.934 5.785 1.00 8.14 C ATOM 201 O MET A 13 27.077 4.701 5.008 1.00 8.35 O ATOM 202 CB MET A 13 26.020 5.331 7.794 1.00 8.00 C ATOM 203 CG MET A 13 25.789 5.397 9.307 1.00 8.62 C ATOM 204 SD MET A 13 24.830 4.033 10.016 1.00 9.18 S ATOM 205 CE MET A 13 23.272 4.222 9.156 1.00 8.88 C ATOM 206 HA MET A 13 26.271 3.192 7.781 1.00 0.00 H ATOM 207 HB2 MET A 13 26.635 6.185 7.510 1.00 0.00 H ATOM 208 HB3 MET A 13 25.050 5.403 7.302 1.00 0.00 H ATOM 209 HG2 MET A 13 25.262 6.326 9.525 1.00 0.00 H ATOM 210 HG3 MET A 13 26.764 5.410 9.795 1.00 0.00 H ATOM 211 HE1 MET A 13 22.855 5.205 9.374 1.00 0.00 H ATOM 212 HE2 MET A 13 23.437 4.125 8.083 1.00 0.00 H ATOM 213 HE3 MET A 13 22.578 3.450 9.489 1.00 0.00 H ATOM 214 H MET A 13 28.705 4.905 7.467 1.00 0.00 H ATOM 215 N ASP A 14 25.678 2.972 5.383 1.00 7.91 N ATOM 216 CA ASP A 14 25.187 2.914 4.000 1.00 7.97 C ATOM 217 C ASP A 14 23.737 2.441 3.952 1.00 7.81 C ATOM 218 O ASP A 14 23.453 1.299 3.575 1.00 6.88 O ATOM 219 CB ASP A 14 26.075 2.041 3.104 1.00 8.47 C ATOM 220 CG ASP A 14 25.622 2.058 1.647 1.00 9.50 C ATOM 221 OD1 ASP A 14 24.929 3.022 1.261 1.00 11.45 O ATOM 222 OD2 ASP A 14 25.936 1.111 0.893 1.00 9.74 O ATOM 223 HA ASP A 14 25.232 3.929 3.606 1.00 0.00 H ATOM 224 HB2 ASP A 14 27.099 2.411 3.157 1.00 0.00 H ATOM 225 HB3 ASP A 14 26.041 1.015 3.470 1.00 0.00 H ATOM 226 H ASP A 14 25.374 2.245 6.062 1.00 0.00 H ATOM 227 N SER A 15 22.825 3.340 4.310 1.00 8.14 N ATOM 228 CA SER A 15 21.391 3.031 4.340 1.00 9.17 C ATOM 229 C SER A 15 20.777 2.847 2.948 1.00 10.21 C ATOM 230 O SER A 15 19.708 2.251 2.824 1.00 10.36 O ATOM 231 CB SER A 15 20.615 4.122 5.088 1.00 8.95 C ATOM 232 OG SER A 15 21.190 4.433 6.339 1.00 8.93 O ATOM 233 HA SER A 15 21.307 2.079 4.864 1.00 0.00 H ATOM 234 HB2 SER A 15 19.593 3.777 5.248 1.00 0.00 H ATOM 235 HB3 SER A 15 20.601 5.024 4.476 1.00 0.00 H ATOM 236 HG SER A 15 21.201 3.622 6.907 1.00 0.00 H ATOM 237 H SER A 15 23.139 4.295 4.578 1.00 0.00 H ATOM 238 N SER A 16 21.460 3.346 1.917 1.00 11.67 N ATOM 239 CA SER A 16 20.938 3.360 0.537 1.00 13.42 C ATOM 240 C SER A 16 20.622 1.988 -0.066 1.00 14.22 C ATOM 241 O SER A 16 19.696 1.863 -0.872 1.00 14.49 O ATOM 242 CB SER A 16 21.882 4.130 -0.390 1.00 13.53 C ATOM 243 OG SER A 16 21.920 5.503 -0.038 1.00 15.09 O ATOM 244 HA SER A 16 19.976 3.866 0.618 1.00 0.00 H ATOM 245 HB2 SER A 16 21.532 4.033 -1.418 1.00 0.00 H ATOM 246 HB3 SER A 16 22.885 3.711 -0.308 1.00 0.00 H ATOM 247 HG SER A 16 22.535 5.982 -0.648 1.00 0.00 H ATOM 248 H SER A 16 22.404 3.744 2.094 1.00 0.00 H ATOM 249 N THR A 17 21.397 0.973 0.310 1.00 15.28 N ATOM 250 CA THR A 17 21.116 -0.398 -0.115 1.00 16.16 C ATOM 251 C THR A 17 20.677 -1.269 1.063 1.00 16.68 C ATOM 252 O THR A 17 21.120 -1.063 2.194 1.00 16.51 O ATOM 253 CB THR A 17 22.312 -1.040 -0.869 1.00 16.27 C ATOM 254 OG1 THR A 17 21.937 -2.341 -1.345 1.00 16.93 O ATOM 255 CG2 THR A 17 23.548 -1.152 0.025 1.00 16.06 C ATOM 256 HA THR A 17 20.287 -0.342 -0.821 1.00 0.00 H ATOM 257 HB THR A 17 22.566 -0.395 -1.710 1.00 0.00 H ATOM 258 HG1 THR A 17 21.166 -2.256 -1.960 1.00 0.00 H ATOM 259 HG23 THR A 17 23.827 -0.161 0.383 1.00 0.00 H ATOM 260 HG21 THR A 17 23.323 -1.796 0.875 1.00 0.00 H ATOM 261 HG22 THR A 17 24.372 -1.578 -0.548 1.00 0.00 H ATOM 262 H THR A 17 22.220 1.159 0.919 1.00 0.00 H ATOM 263 N SER A 18 19.799 -2.231 0.781 1.00 17.33 N ATOM 264 CA SER A 18 19.286 -3.157 1.794 1.00 18.00 C ATOM 265 C SER A 18 20.367 -4.143 2.224 1.00 18.29 C ATOM 266 O SER A 18 20.414 -4.566 3.381 1.00 18.15 O ATOM 267 CB SER A 18 18.077 -3.930 1.254 1.00 18.07 C ATOM 268 OG SER A 18 17.048 -3.059 0.809 1.00 18.69 O ATOM 269 HA SER A 18 18.979 -2.568 2.658 1.00 0.00 H ATOM 270 HB2 SER A 18 17.683 -4.566 2.046 1.00 0.00 H ATOM 271 HB3 SER A 18 18.400 -4.551 0.418 1.00 0.00 H ATOM 272 HG SER A 18 16.744 -2.496 1.564 1.00 0.00 H ATOM 273 H SER A 18 19.464 -2.329 -0.199 1.00 0.00 H ATOM 274 N ALA A 19 21.220 -4.507 1.269 1.00 18.73 N ATOM 275 CA ALA A 19 22.309 -5.452 1.471 1.00 19.22 C ATOM 276 C ALA A 19 23.261 -5.330 0.295 1.00 19.57 C ATOM 277 O ALA A 19 22.847 -5.434 -0.868 1.00 19.79 O ATOM 278 CB ALA A 19 21.779 -6.875 1.578 1.00 19.21 C ATOM 279 HA ALA A 19 22.827 -5.225 2.403 1.00 0.00 H ATOM 280 HB1 ALA A 19 21.093 -6.943 2.422 1.00 0.00 H ATOM 281 HB2 ALA A 19 21.253 -7.136 0.659 1.00 0.00 H ATOM 282 HB3 ALA A 19 22.612 -7.561 1.729 1.00 0.00 H ATOM 283 H ALA A 19 21.102 -4.092 0.323 1.00 0.00 H ATOM 284 N ALA A 20 24.534 -5.102 0.604 1.00 19.97 N ATOM 285 CA ALA A 20 25.554 -4.909 -0.414 1.00 20.23 C ATOM 286 C ALA A 20 25.700 -6.176 -1.228 1.00 20.29 C ATOM 287 O ALA A 20 26.254 -7.176 -0.762 1.00 20.82 O ATOM 288 CB ALA A 20 26.851 -4.544 0.215 1.00 20.08 C ATOM 289 HA ALA A 20 25.253 -4.094 -1.072 1.00 0.00 H ATOM 290 HB1 ALA A 20 26.732 -3.619 0.779 1.00 0.00 H ATOM 291 HB2 ALA A 20 27.165 -5.343 0.887 1.00 0.00 H ATOM 292 HB3 ALA A 20 27.603 -4.403 -0.561 1.00 0.00 H ATOM 293 H ALA A 20 24.809 -5.060 1.606 1.00 0.00 H ATOM 294 N SER A 21 25.185 -6.132 -2.448 1.00 20.12 N ATOM 295 CA SER A 21 25.109 -7.330 -3.256 1.00 19.68 C ATOM 296 C SER A 21 25.746 -7.173 -4.635 1.00 19.14 C ATOM 297 O SER A 21 25.189 -7.594 -5.648 1.00 19.40 O ATOM 298 CB SER A 21 23.663 -7.820 -3.337 1.00 19.87 C ATOM 299 OG SER A 21 23.138 -8.041 -2.034 1.00 20.45 O ATOM 300 HA SER A 21 25.705 -8.094 -2.758 1.00 0.00 H ATOM 301 HB2 SER A 21 23.631 -8.753 -3.900 1.00 0.00 H ATOM 302 HB3 SER A 21 23.058 -7.070 -3.845 1.00 0.00 H ATOM 303 HG SER A 21 23.163 -7.194 -1.521 1.00 0.00 H ATOM 304 H SER A 21 24.833 -5.230 -2.828 1.00 0.00 H ATOM 305 N SER A 22 26.911 -6.534 -4.651 1.00 18.36 N ATOM 306 CA SER A 22 27.858 -6.680 -5.745 1.00 17.22 C ATOM 307 C SER A 22 29.204 -7.043 -5.136 1.00 16.46 C ATOM 308 O SER A 22 29.567 -6.545 -4.065 1.00 16.03 O ATOM 309 CB SER A 22 27.958 -5.412 -6.604 1.00 17.22 C ATOM 310 OG SER A 22 28.566 -4.340 -5.903 1.00 17.87 O ATOM 311 HA SER A 22 27.517 -7.464 -6.421 1.00 0.00 H ATOM 312 HB2 SER A 22 26.955 -5.111 -6.905 1.00 0.00 H ATOM 313 HB3 SER A 22 28.551 -5.634 -7.491 1.00 0.00 H ATOM 314 HG SER A 22 28.030 -4.127 -5.099 1.00 0.00 H ATOM 315 H SER A 22 27.153 -5.909 -3.856 1.00 0.00 H ATOM 316 N SER A 23 29.926 -7.934 -5.807 1.00 15.48 N ATOM 317 CA SER A 23 31.291 -8.280 -5.421 1.00 14.69 C ATOM 318 C SER A 23 32.204 -7.058 -5.538 1.00 14.16 C ATOM 319 O SER A 23 33.289 -7.031 -4.962 1.00 14.24 O ATOM 320 CB SER A 23 31.815 -9.436 -6.280 1.00 14.72 C ATOM 321 OG SER A 23 31.570 -9.204 -7.656 1.00 13.49 O ATOM 322 HA SER A 23 31.287 -8.605 -4.381 1.00 0.00 H ATOM 323 HB2 SER A 23 31.315 -10.357 -5.980 1.00 0.00 H ATOM 324 HB3 SER A 23 32.889 -9.538 -6.122 1.00 0.00 H ATOM 325 HG SER A 23 31.918 -9.965 -8.185 1.00 0.00 H ATOM 326 H SER A 23 29.505 -8.401 -6.635 1.00 0.00 H ATOM 327 N ASN A 24 31.741 -6.053 -6.281 1.00 13.90 N ATOM 328 CA ASN A 24 32.465 -4.797 -6.473 1.00 13.28 C ATOM 329 C ASN A 24 32.263 -3.802 -5.329 1.00 12.42 C ATOM 330 O ASN A 24 32.990 -2.814 -5.241 1.00 12.40 O ATOM 331 CB ASN A 24 32.022 -4.112 -7.773 1.00 13.75 C ATOM 332 CG ASN A 24 32.207 -4.985 -9.003 1.00 14.83 C ATOM 333 OD1 ASN A 24 33.243 -5.626 -9.186 1.00 16.10 O ATOM 334 ND2 ASN A 24 31.203 -4.988 -9.871 1.00 16.69 N ATOM 335 HA ASN A 24 33.519 -5.071 -6.510 1.00 0.00 H ATOM 336 HB2 ASN A 24 30.967 -3.854 -7.687 1.00 0.00 H ATOM 337 HB3 ASN A 24 32.608 -3.202 -7.902 1.00 0.00 H ATOM 338 HD22 ASN A 24 30.346 -4.432 -9.677 1.00 0.00 H ATOM 339 HD21 ASN A 24 31.273 -5.546 -10.746 1.00 0.00 H ATOM 340 H ASN A 24 30.819 -6.168 -6.748 1.00 0.00 H ATOM 341 N TYR A 25 31.272 -4.064 -4.476 1.00 11.38 N ATOM 342 CA TYR A 25 30.791 -3.091 -3.491 1.00 10.55 C ATOM 343 C TYR A 25 31.905 -2.470 -2.647 1.00 9.79 C ATOM 344 O TYR A 25 32.054 -1.250 -2.622 1.00 9.60 O ATOM 345 CB TYR A 25 29.724 -3.720 -2.592 1.00 10.50 C ATOM 346 CG TYR A 25 29.227 -2.828 -1.476 1.00 10.61 C ATOM 347 CD1 TYR A 25 28.153 -1.962 -1.677 1.00 10.76 C ATOM 348 CD2 TYR A 25 29.827 -2.857 -0.213 1.00 10.75 C ATOM 349 CE1 TYR A 25 27.682 -1.142 -0.646 1.00 11.33 C ATOM 350 CE2 TYR A 25 29.367 -2.047 0.820 1.00 10.76 C ATOM 351 CZ TYR A 25 28.293 -1.194 0.598 1.00 10.70 C ATOM 352 OH TYR A 25 27.830 -0.386 1.615 1.00 11.12 O ATOM 353 HA TYR A 25 30.352 -2.273 -4.062 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.145 -4.620 -2.145 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.872 -3.990 -3.215 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.669 -3.526 -0.035 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.846 -2.081 1.798 1.00 0.00 H ATOM 358 HE1 TYR A 25 26.843 -0.468 -0.819 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.672 -1.923 -2.654 1.00 0.00 H ATOM 360 HH TYR A 25 27.067 0.152 1.286 1.00 0.00 H ATOM 361 H TYR A 25 30.820 -5.000 -4.511 1.00 0.00 H ATOM 362 N CYS A 26 32.688 -3.308 -1.974 1.00 9.60 N ATOM 363 CA CYS A 26 33.753 -2.800 -1.106 1.00 9.21 C ATOM 364 C CYS A 26 34.819 -2.033 -1.869 1.00 8.94 C ATOM 365 O CYS A 26 35.251 -0.972 -1.427 1.00 8.43 O ATOM 366 CB CYS A 26 34.374 -3.911 -0.265 1.00 9.21 C ATOM 367 SG CYS A 26 33.269 -4.487 1.028 1.00 9.60 S ATOM 368 HA CYS A 26 33.278 -2.090 -0.429 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.287 -3.533 0.196 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.618 -4.750 -0.917 1.00 0.00 H ATOM 371 H CYS A 26 32.543 -4.334 -2.065 1.00 0.00 H ATOM 372 N ASN A 27 35.232 -2.548 -3.028 1.00 8.56 N ATOM 373 CA ASN A 27 36.194 -1.822 -3.855 1.00 9.00 C ATOM 374 C ASN A 27 35.733 -0.395 -4.151 1.00 9.37 C ATOM 375 O ASN A 27 36.516 0.543 -4.072 1.00 9.80 O ATOM 376 CB ASN A 27 36.468 -2.575 -5.156 1.00 8.58 C ATOM 377 CG ASN A 27 37.206 -3.873 -4.930 1.00 8.86 C ATOM 378 OD1 ASN A 27 37.900 -4.043 -3.924 1.00 7.64 O ATOM 379 ND2 ASN A 27 37.067 -4.802 -5.872 1.00 9.52 N ATOM 380 HA ASN A 27 37.121 -1.756 -3.286 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.516 -2.794 -5.640 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.069 -1.940 -5.808 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.471 -4.614 -6.704 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.554 -5.716 -5.777 1.00 0.00 H ATOM 385 H ASN A 27 34.868 -3.469 -3.344 1.00 0.00 H ATOM 386 N GLN A 28 34.450 -0.243 -4.464 1.00 9.97 N ATOM 387 CA GLN A 28 33.882 1.059 -4.798 1.00 10.95 C ATOM 388 C GLN A 28 33.664 1.926 -3.563 1.00 10.26 C ATOM 389 O GLN A 28 34.006 3.112 -3.560 1.00 10.35 O ATOM 390 CB GLN A 28 32.570 0.883 -5.562 1.00 11.02 C ATOM 391 CG GLN A 28 32.738 0.180 -6.908 1.00 12.89 C ATOM 392 CD GLN A 28 31.417 -0.070 -7.611 1.00 13.24 C ATOM 393 OE1 GLN A 28 30.352 0.288 -7.104 1.00 17.57 O ATOM 394 NE2 GLN A 28 31.481 -0.682 -8.791 1.00 16.25 N ATOM 395 HA GLN A 28 34.602 1.575 -5.432 1.00 0.00 H ATOM 396 HB2 GLN A 28 31.889 0.294 -4.948 1.00 0.00 H ATOM 397 HB3 GLN A 28 32.138 1.868 -5.739 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.362 0.802 -7.550 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.231 -0.778 -6.742 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.403 -0.966 -9.180 1.00 0.00 H ATOM 401 HE21 GLN A 28 30.609 -0.876 -9.324 1.00 0.00 H ATOM 402 H GLN A 28 33.831 -1.079 -4.471 1.00 0.00 H ATOM 403 N MET A 29 33.104 1.323 -2.518 1.00 10.30 N ATOM 404 CA MET A 29 32.742 2.048 -1.302 1.00 10.16 C ATOM 405 C MET A 29 33.935 2.506 -0.475 1.00 9.80 C ATOM 406 O MET A 29 33.939 3.624 0.039 1.00 9.51 O ATOM 407 CB MET A 29 31.788 1.213 -0.447 1.00 10.49 C ATOM 408 CG MET A 29 30.402 1.099 -1.046 1.00 12.35 C ATOM 409 SD MET A 29 29.488 2.652 -0.955 1.00 17.04 S ATOM 410 CE MET A 29 29.167 2.760 0.806 1.00 15.95 C ATOM 411 HA MET A 29 32.242 2.958 -1.634 1.00 0.00 H ATOM 412 HB2 MET A 29 32.204 0.211 -0.340 1.00 0.00 H ATOM 413 HB3 MET A 29 31.705 1.678 0.536 1.00 0.00 H ATOM 414 HG2 MET A 29 29.847 0.333 -0.504 1.00 0.00 H ATOM 415 HG3 MET A 29 30.495 0.807 -2.092 1.00 0.00 H ATOM 416 HE1 MET A 29 28.585 1.894 1.122 1.00 0.00 H ATOM 417 HE2 MET A 29 30.114 2.780 1.346 1.00 0.00 H ATOM 418 HE3 MET A 29 28.608 3.671 1.017 1.00 0.00 H ATOM 419 H MET A 29 32.917 0.301 -2.568 1.00 0.00 H ATOM 420 N MET A 30 34.948 1.653 -0.347 1.00 9.20 N ATOM 421 CA MET A 30 36.147 2.038 0.393 1.00 9.00 C ATOM 422 C MET A 30 36.818 3.248 -0.259 1.00 9.37 C ATOM 423 O MET A 30 37.289 4.151 0.432 1.00 9.55 O ATOM 424 CB MET A 30 37.115 0.861 0.529 1.00 8.74 C ATOM 425 CG MET A 30 36.549 -0.317 1.330 1.00 7.84 C ATOM 426 SD MET A 30 36.238 0.101 3.059 1.00 7.01 S ATOM 427 CE MET A 30 37.913 0.287 3.667 1.00 7.65 C ATOM 428 HA MET A 30 35.848 2.327 1.401 1.00 0.00 H ATOM 429 HB2 MET A 30 37.369 0.507 -0.470 1.00 0.00 H ATOM 430 HB3 MET A 30 38.018 1.214 1.028 1.00 0.00 H ATOM 431 HG2 MET A 30 37.263 -1.140 1.293 1.00 0.00 H ATOM 432 HG3 MET A 30 35.611 -0.631 0.873 1.00 0.00 H ATOM 433 HE1 MET A 30 38.452 -0.651 3.535 1.00 0.00 H ATOM 434 HE2 MET A 30 38.415 1.078 3.110 1.00 0.00 H ATOM 435 HE3 MET A 30 37.887 0.546 4.725 1.00 0.00 H ATOM 436 H MET A 30 34.886 0.708 -0.776 1.00 0.00 H ATOM 437 N LYS A 31 36.824 3.271 -1.590 1.00 9.95 N ATOM 438 CA LYS A 31 37.342 4.406 -2.358 1.00 10.60 C ATOM 439 C LYS A 31 36.484 5.671 -2.194 1.00 10.48 C ATOM 440 O LYS A 31 36.997 6.727 -1.816 1.00 10.25 O ATOM 441 CB LYS A 31 37.473 4.023 -3.838 1.00 10.58 C ATOM 442 CG LYS A 31 38.073 5.112 -4.726 1.00 11.22 C ATOM 443 CD LYS A 31 38.053 4.712 -6.195 1.00 12.20 C ATOM 444 CE LYS A 31 38.314 5.912 -7.101 1.00 14.47 C ATOM 445 NZ LYS A 31 38.175 5.604 -8.559 1.00 16.61 N ATOM 446 HA LYS A 31 38.328 4.646 -1.960 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.108 3.140 -3.906 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.479 3.784 -4.217 1.00 0.00 H ATOM 449 HG2 LYS A 31 37.496 6.028 -4.601 1.00 0.00 H ATOM 450 HG3 LYS A 31 39.105 5.289 -4.421 1.00 0.00 H ATOM 451 HD2 LYS A 31 38.824 3.961 -6.369 1.00 0.00 H ATOM 452 HD3 LYS A 31 37.077 4.291 -6.435 1.00 0.00 H ATOM 453 HE2 LYS A 31 39.328 6.267 -6.919 1.00 0.00 H ATOM 454 HE3 LYS A 31 37.603 6.698 -6.845 1.00 0.00 H ATOM 455 HZ1 LYS A 31 38.855 4.862 -8.822 1.00 0.00 H ATOM 456 HZ2 LYS A 31 37.208 5.273 -8.752 1.00 0.00 H ATOM 457 HZ3 LYS A 31 38.366 6.463 -9.113 1.00 0.00 H ATOM 458 H LYS A 31 36.446 2.451 -2.105 1.00 0.00 H ATOM 459 N SER A 32 35.180 5.552 -2.449 1.00 10.69 N ATOM 460 CA SER A 32 34.289 6.719 -2.452 1.00 10.91 C ATOM 461 C SER A 32 34.099 7.356 -1.076 1.00 10.67 C ATOM 462 O SER A 32 33.849 8.561 -0.977 1.00 10.89 O ATOM 463 CB SER A 32 32.933 6.382 -3.075 1.00 11.11 C ATOM 464 OG SER A 32 32.279 5.352 -2.362 1.00 11.93 O ATOM 465 HA SER A 32 34.792 7.464 -3.069 1.00 0.00 H ATOM 466 HB2 SER A 32 33.086 6.059 -4.105 1.00 0.00 H ATOM 467 HB3 SER A 32 32.306 7.274 -3.065 1.00 0.00 H ATOM 468 HG SER A 32 31.407 5.158 -2.789 1.00 0.00 H ATOM 469 H SER A 32 34.785 4.611 -2.650 1.00 0.00 H ATOM 470 N ARG A 33 34.230 6.555 -0.022 1.00 10.04 N ATOM 471 CA ARG A 33 34.131 7.074 1.344 1.00 10.00 C ATOM 472 C ARG A 33 35.466 7.558 1.900 1.00 10.36 C ATOM 473 O ARG A 33 35.580 7.858 3.097 1.00 10.51 O ATOM 474 CB ARG A 33 33.501 6.038 2.285 1.00 9.55 C ATOM 475 CG ARG A 33 32.074 5.656 1.925 1.00 9.29 C ATOM 476 CD ARG A 33 31.147 6.872 1.923 1.00 7.75 C ATOM 477 NE ARG A 33 29.759 6.473 1.704 1.00 8.78 N ATOM 478 CZ ARG A 33 28.938 6.056 2.668 1.00 8.27 C ATOM 479 NH1 ARG A 33 29.346 6.009 3.933 1.00 7.68 N ATOM 480 NH2 ARG A 33 27.696 5.708 2.373 1.00 8.42 N ATOM 481 HA ARG A 33 33.479 7.946 1.289 1.00 0.00 H ATOM 482 HB2 ARG A 33 34.113 5.136 2.260 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.501 6.448 3.295 1.00 0.00 H ATOM 484 HG2 ARG A 33 32.068 5.205 0.933 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.707 4.933 2.653 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.452 7.552 1.128 1.00 0.00 H ATOM 487 HD3 ARG A 33 31.224 7.381 2.884 1.00 0.00 H ATOM 488 HE ARG A 33 29.387 6.517 0.734 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.697 5.682 4.677 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.314 6.299 4.178 1.00 0.00 H ATOM 491 HH22 ARG A 33 27.055 5.383 3.124 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.361 5.760 1.390 1.00 0.00 H ATOM 493 H ARG A 33 34.406 5.541 -0.171 1.00 0.00 H ATOM 494 N ASN A 34 36.469 7.626 1.024 1.00 11.11 N ATOM 495 CA ASN A 34 37.775 8.199 1.343 1.00 11.84 C ATOM 496 C ASN A 34 38.544 7.388 2.384 1.00 11.70 C ATOM 497 O ASN A 34 39.245 7.936 3.237 1.00 11.93 O ATOM 498 CB ASN A 34 37.629 9.675 1.747 1.00 12.39 C ATOM 499 CG ASN A 34 36.774 10.468 0.763 1.00 14.61 C ATOM 500 OD1 ASN A 34 37.187 10.732 -0.369 1.00 17.65 O ATOM 501 ND2 ASN A 34 35.573 10.849 1.198 1.00 17.69 N ATOM 502 HA ASN A 34 38.380 8.153 0.437 1.00 0.00 H ATOM 503 HB2 ASN A 34 37.165 9.724 2.732 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.621 10.125 1.791 1.00 0.00 H ATOM 505 HD22 ASN A 34 35.267 10.603 2.161 1.00 0.00 H ATOM 506 HD21 ASN A 34 34.942 11.392 0.574 1.00 0.00 H ATOM 507 H ASN A 34 36.314 7.253 0.066 1.00 0.00 H ATOM 508 N LEU A 35 38.401 6.067 2.297 1.00 11.60 N ATOM 509 CA LEU A 35 39.087 5.149 3.200 1.00 11.80 C ATOM 510 C LEU A 35 40.299 4.508 2.527 1.00 12.05 C ATOM 511 O LEU A 35 40.907 3.587 3.083 1.00 12.04 O ATOM 512 CB LEU A 35 38.118 4.075 3.711 1.00 11.56 C ATOM 513 CG LEU A 35 36.784 4.597 4.256 1.00 11.63 C ATOM 514 CD1 LEU A 35 35.939 3.451 4.759 1.00 10.90 C ATOM 515 CD2 LEU A 35 36.998 5.620 5.357 1.00 11.98 C ATOM 516 HA LEU A 35 39.449 5.724 4.052 1.00 0.00 H ATOM 517 HB2 LEU A 35 37.902 3.397 2.885 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.616 3.526 4.510 1.00 0.00 H ATOM 519 HG LEU A 35 36.259 5.092 3.439 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.551 5.160 6.176 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.565 6.463 4.963 1.00 0.00 H ATOM 522 HD23 LEU A 35 36.031 5.969 5.720 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.743 2.759 3.940 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.471 2.932 5.556 1.00 0.00 H ATOM 525 HD13 LEU A 35 34.995 3.838 5.143 1.00 0.00 H ATOM 526 H LEU A 35 37.779 5.676 1.560 1.00 0.00 H ATOM 527 N THR A 36 40.643 4.997 1.335 1.00 12.71 N ATOM 528 CA THR A 36 41.795 4.479 0.585 1.00 13.24 C ATOM 529 C THR A 36 42.803 5.562 0.162 1.00 13.77 C ATOM 530 O THR A 36 43.617 5.331 -0.733 1.00 13.62 O ATOM 531 CB THR A 36 41.370 3.676 -0.679 1.00 13.28 C ATOM 532 OG1 THR A 36 40.770 4.552 -1.642 1.00 13.70 O ATOM 533 CG2 THR A 36 40.403 2.549 -0.330 1.00 13.78 C ATOM 534 HA THR A 36 42.289 3.814 1.294 1.00 0.00 H ATOM 535 HB THR A 36 42.268 3.229 -1.104 1.00 0.00 H ATOM 536 HG1 THR A 36 39.970 4.979 -1.244 1.00 0.00 H ATOM 537 HG23 THR A 36 40.867 1.888 0.402 1.00 0.00 H ATOM 538 HG21 THR A 36 39.489 2.972 0.088 1.00 0.00 H ATOM 539 HG22 THR A 36 40.164 1.984 -1.231 1.00 0.00 H ATOM 540 H THR A 36 40.079 5.768 0.924 1.00 0.00 H ATOM 541 N LYS A 37 42.761 6.728 0.806 1.00 14.31 N ATOM 542 CA LYS A 37 43.634 7.840 0.410 1.00 15.19 C ATOM 543 C LYS A 37 44.989 7.823 1.125 1.00 14.91 C ATOM 544 O LYS A 37 46.028 7.983 0.485 1.00 15.04 O ATOM 545 CB LYS A 37 42.934 9.194 0.598 1.00 15.52 C ATOM 546 CG LYS A 37 43.610 10.340 -0.147 1.00 17.45 C ATOM 547 CD LYS A 37 43.178 11.701 0.369 1.00 19.72 C ATOM 548 CE LYS A 37 44.076 12.792 -0.192 1.00 20.84 C ATOM 549 NZ LYS A 37 43.721 14.143 0.326 1.00 22.50 N ATOM 550 HA LYS A 37 43.839 7.700 -0.651 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.909 9.105 0.237 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.924 9.432 1.662 1.00 0.00 H ATOM 553 HG2 LYS A 37 44.689 10.247 -0.028 1.00 0.00 H ATOM 554 HG3 LYS A 37 43.355 10.269 -1.204 1.00 0.00 H ATOM 555 HD2 LYS A 37 42.149 11.891 0.064 1.00 0.00 H ATOM 556 HD3 LYS A 37 43.240 11.709 1.457 1.00 0.00 H ATOM 557 HE2 LYS A 37 43.983 12.798 -1.278 1.00 0.00 H ATOM 558 HE3 LYS A 37 45.108 12.572 0.082 1.00 0.00 H ATOM 559 HZ1 LYS A 37 42.740 14.367 0.063 1.00 0.00 H ATOM 560 HZ2 LYS A 37 43.814 14.151 1.362 1.00 0.00 H ATOM 561 HZ3 LYS A 37 44.362 14.851 -0.086 1.00 0.00 H ATOM 562 H LYS A 37 42.101 6.852 1.600 1.00 0.00 H ATOM 563 N ASP A 38 44.974 7.649 2.444 1.00 14.84 N ATOM 564 CA ASP A 38 46.207 7.616 3.237 1.00 14.73 C ATOM 565 C ASP A 38 46.905 6.266 3.088 1.00 14.32 C ATOM 566 O ASP A 38 48.137 6.186 3.011 1.00 14.38 O ATOM 567 CB ASP A 38 45.911 7.883 4.717 1.00 15.09 C ATOM 568 CG ASP A 38 45.326 9.269 4.972 1.00 15.87 C ATOM 569 OD1 ASP A 38 45.476 10.173 4.117 1.00 17.27 O ATOM 570 OD2 ASP A 38 44.716 9.453 6.047 1.00 17.77 O ATOM 571 HA ASP A 38 46.865 8.400 2.864 1.00 0.00 H ATOM 572 HB2 ASP A 38 45.199 7.136 5.069 1.00 0.00 H ATOM 573 HB3 ASP A 38 46.840 7.790 5.279 1.00 0.00 H ATOM 574 H ASP A 38 44.060 7.533 2.927 1.00 0.00 H ATOM 575 N ARG A 39 46.086 5.217 3.044 1.00 13.87 N ATOM 576 CA ARG A 39 46.510 3.826 2.945 1.00 13.26 C ATOM 577 C ARG A 39 45.265 3.048 2.537 1.00 12.80 C ATOM 578 O ARG A 39 44.196 3.639 2.381 1.00 12.84 O ATOM 579 CB ARG A 39 47.004 3.313 4.299 1.00 13.44 C ATOM 580 CG ARG A 39 45.950 3.394 5.392 1.00 14.08 C ATOM 581 CD ARG A 39 46.298 2.588 6.618 1.00 15.02 C ATOM 582 NE ARG A 39 45.184 2.636 7.560 1.00 15.75 N ATOM 583 CZ ARG A 39 45.073 1.887 8.652 1.00 16.30 C ATOM 584 NH1 ARG A 39 44.006 2.018 9.425 1.00 16.93 N ATOM 585 NH2 ARG A 39 46.018 1.007 8.969 1.00 17.16 N ATOM 586 HA ARG A 39 47.327 3.713 2.232 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.307 2.272 4.186 1.00 0.00 H ATOM 588 HB3 ARG A 39 47.865 3.909 4.603 1.00 0.00 H ATOM 589 HG2 ARG A 39 45.835 4.438 5.685 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.006 3.024 4.991 1.00 0.00 H ATOM 591 HD2 ARG A 39 47.190 3.004 7.087 1.00 0.00 H ATOM 592 HD3 ARG A 39 46.489 1.554 6.332 1.00 0.00 H ATOM 593 HE ARG A 39 44.417 3.309 7.361 1.00 0.00 H ATOM 594 HH12 ARG A 39 43.910 1.436 10.282 1.00 0.00 H ATOM 595 HH11 ARG A 39 43.264 2.703 9.175 1.00 0.00 H ATOM 596 HH22 ARG A 39 45.921 0.426 9.826 1.00 0.00 H ATOM 597 HH21 ARG A 39 46.854 0.900 8.360 1.00 0.00 H ATOM 598 H ARG A 39 45.064 5.405 3.083 1.00 0.00 H ATOM 599 N CYS A 40 45.391 1.735 2.367 1.00 11.97 N ATOM 600 CA CYS A 40 44.208 0.886 2.272 1.00 11.36 C ATOM 601 C CYS A 40 43.758 0.596 3.698 1.00 11.35 C ATOM 602 O CYS A 40 44.466 -0.091 4.438 1.00 11.60 O ATOM 603 CB CYS A 40 44.524 -0.426 1.557 1.00 11.46 C ATOM 604 SG CYS A 40 45.233 -0.273 -0.099 1.00 10.18 S ATOM 605 HA CYS A 40 43.430 1.390 1.698 1.00 0.00 H ATOM 606 HB2 CYS A 40 43.596 -0.992 1.472 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.232 -0.980 2.173 1.00 0.00 H ATOM 608 H CYS A 40 46.338 1.311 2.301 1.00 0.00 H ATOM 609 N LYS A 41 42.607 1.135 4.102 1.00 11.12 N ATOM 610 CA LYS A 41 42.066 0.782 5.415 1.00 11.12 C ATOM 611 C LYS A 41 41.832 -0.733 5.402 1.00 11.09 C ATOM 612 O LYS A 41 41.125 -1.236 4.534 1.00 10.62 O ATOM 613 CB LYS A 41 40.778 1.549 5.735 1.00 11.10 C ATOM 614 CG LYS A 41 40.262 1.281 7.135 1.00 11.59 C ATOM 615 CD LYS A 41 39.139 2.219 7.538 1.00 10.79 C ATOM 616 CE LYS A 41 38.726 1.950 8.989 1.00 12.04 C ATOM 617 NZ LYS A 41 37.577 2.778 9.435 1.00 12.18 N ATOM 618 HA LYS A 41 42.768 1.060 6.201 1.00 0.00 H ATOM 619 HB2 LYS A 41 40.975 2.616 5.635 1.00 0.00 H ATOM 620 HB3 LYS A 41 40.011 1.254 5.019 1.00 0.00 H ATOM 621 HG2 LYS A 41 39.893 0.256 7.180 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.086 1.401 7.839 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.479 3.250 7.444 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.282 2.059 6.883 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.577 2.161 9.636 1.00 0.00 H ATOM 626 HE3 LYS A 41 38.452 0.899 9.082 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.827 3.785 9.361 1.00 0.00 H ATOM 628 HZ2 LYS A 41 36.753 2.579 8.832 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.348 2.548 10.423 1.00 0.00 H ATOM 630 H LYS A 41 42.097 1.802 3.488 1.00 0.00 H ATOM 631 N PRO A 42 42.472 -1.466 6.333 1.00 11.40 N ATOM 632 CA PRO A 42 42.487 -2.930 6.292 1.00 11.50 C ATOM 633 C PRO A 42 41.122 -3.602 6.487 1.00 11.54 C ATOM 634 O PRO A 42 40.824 -4.593 5.813 1.00 11.75 O ATOM 635 CB PRO A 42 43.445 -3.305 7.438 1.00 11.79 C ATOM 636 CG PRO A 42 44.218 -2.064 7.722 1.00 12.42 C ATOM 637 CD PRO A 42 43.259 -0.949 7.466 1.00 11.57 C ATOM 638 HA PRO A 42 42.792 -3.279 5.305 1.00 0.00 H ATOM 639 HD3 PRO A 42 42.627 -0.764 8.335 1.00 0.00 H ATOM 640 HD2 PRO A 42 43.782 -0.031 7.197 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.080 -1.989 7.060 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.555 -2.050 8.758 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.884 -3.617 8.319 1.00 0.00 H ATOM 644 HB3 PRO A 42 44.113 -4.110 7.131 1.00 0.00 H ATOM 645 N VAL A 43 40.311 -3.072 7.403 1.00 11.00 N ATOM 646 CA VAL A 43 39.027 -3.677 7.764 1.00 11.17 C ATOM 647 C VAL A 43 38.003 -2.570 8.008 1.00 10.09 C ATOM 648 O VAL A 43 38.280 -1.619 8.745 1.00 10.27 O ATOM 649 CB VAL A 43 39.149 -4.542 9.058 1.00 11.50 C ATOM 650 CG1 VAL A 43 37.780 -5.008 9.542 1.00 13.32 C ATOM 651 CG2 VAL A 43 40.085 -5.740 8.837 1.00 13.13 C ATOM 652 HA VAL A 43 38.713 -4.322 6.944 1.00 0.00 H ATOM 653 HB VAL A 43 39.583 -3.912 9.835 1.00 0.00 H ATOM 654 HG11 VAL A 43 37.159 -4.140 9.761 1.00 0.00 H ATOM 655 HG12 VAL A 43 37.307 -5.609 8.765 1.00 0.00 H ATOM 656 HG13 VAL A 43 37.900 -5.608 10.444 1.00 0.00 H ATOM 657 HG21 VAL A 43 39.691 -6.365 8.036 1.00 0.00 H ATOM 658 HG22 VAL A 43 41.077 -5.379 8.564 1.00 0.00 H ATOM 659 HG23 VAL A 43 40.150 -6.323 9.756 1.00 0.00 H ATOM 660 H VAL A 43 40.602 -2.195 7.880 1.00 0.00 H ATOM 661 N ASN A 44 36.833 -2.686 7.381 1.00 9.16 N ATOM 662 CA ASN A 44 35.775 -1.691 7.574 1.00 8.57 C ATOM 663 C ASN A 44 34.387 -2.242 7.304 1.00 8.34 C ATOM 664 O ASN A 44 34.179 -2.938 6.321 1.00 9.58 O ATOM 665 CB ASN A 44 36.008 -0.478 6.678 1.00 8.48 C ATOM 666 CG ASN A 44 35.156 0.700 7.075 1.00 8.95 C ATOM 667 OD1 ASN A 44 35.401 1.333 8.103 1.00 10.27 O ATOM 668 ND2 ASN A 44 34.139 1.000 6.268 1.00 8.46 N ATOM 669 HA ASN A 44 35.822 -1.402 8.624 1.00 0.00 H ATOM 670 HB2 ASN A 44 37.057 -0.190 6.744 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.771 -0.751 5.650 1.00 0.00 H ATOM 672 HD22 ASN A 44 33.972 0.436 5.410 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.512 1.798 6.496 1.00 0.00 H ATOM 674 H ASN A 44 36.669 -3.493 6.746 1.00 0.00 H ATOM 675 N THR A 45 33.437 -1.883 8.158 1.00 7.65 N ATOM 676 CA THR A 45 32.065 -2.367 8.047 1.00 7.29 C ATOM 677 C THR A 45 31.073 -1.253 7.717 1.00 7.19 C ATOM 678 O THR A 45 31.129 -0.169 8.303 1.00 7.11 O ATOM 679 CB THR A 45 31.644 -3.052 9.361 1.00 6.86 C ATOM 680 OG1 THR A 45 32.574 -4.098 9.652 1.00 7.23 O ATOM 681 CG2 THR A 45 30.241 -3.646 9.253 1.00 8.24 C ATOM 682 HA THR A 45 32.045 -3.080 7.222 1.00 0.00 H ATOM 683 HB THR A 45 31.638 -2.306 10.156 1.00 0.00 H ATOM 684 HG1 THR A 45 32.570 -4.757 8.913 1.00 0.00 H ATOM 685 HG23 THR A 45 29.528 -2.852 9.031 1.00 0.00 H ATOM 686 HG21 THR A 45 30.222 -4.387 8.454 1.00 0.00 H ATOM 687 HG22 THR A 45 29.975 -4.121 10.197 1.00 0.00 H ATOM 688 H THR A 45 33.679 -1.234 8.934 1.00 0.00 H ATOM 689 N PHE A 46 30.169 -1.530 6.776 1.00 6.87 N ATOM 690 CA PHE A 46 29.064 -0.629 6.455 1.00 7.00 C ATOM 691 C PHE A 46 27.754 -1.230 6.934 1.00 7.32 C ATOM 692 O PHE A 46 27.508 -2.425 6.743 1.00 7.56 O ATOM 693 CB PHE A 46 28.981 -0.365 4.949 1.00 6.80 C ATOM 694 CG PHE A 46 30.161 0.395 4.406 1.00 5.65 C ATOM 695 CD1 PHE A 46 30.225 1.776 4.536 1.00 5.37 C ATOM 696 CD2 PHE A 46 31.213 -0.270 3.783 1.00 6.03 C ATOM 697 CE1 PHE A 46 31.309 2.492 4.047 1.00 6.14 C ATOM 698 CE2 PHE A 46 32.308 0.443 3.280 1.00 5.35 C ATOM 699 CZ PHE A 46 32.354 1.827 3.425 1.00 6.47 C ATOM 700 HA PHE A 46 29.245 0.319 6.961 1.00 0.00 H ATOM 701 HB2 PHE A 46 28.921 -1.323 4.433 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.078 0.211 4.749 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.184 -1.355 3.686 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.120 -0.083 2.778 1.00 0.00 H ATOM 705 HZ PHE A 46 33.211 2.387 3.050 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.338 3.577 4.152 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.411 2.306 5.030 1.00 0.00 H ATOM 708 H PHE A 46 30.254 -2.423 6.250 1.00 0.00 H ATOM 709 N VAL A 47 26.929 -0.398 7.566 1.00 8.07 N ATOM 710 CA VAL A 47 25.644 -0.829 8.120 1.00 8.74 C ATOM 711 C VAL A 47 24.501 -0.339 7.229 1.00 8.65 C ATOM 712 O VAL A 47 24.404 0.855 6.939 1.00 8.69 O ATOM 713 CB VAL A 47 25.446 -0.322 9.570 1.00 8.65 C ATOM 714 CG1 VAL A 47 24.144 -0.865 10.158 1.00 9.87 C ATOM 715 CG2 VAL A 47 26.643 -0.721 10.446 1.00 9.24 C ATOM 716 HA VAL A 47 25.641 -1.919 8.148 1.00 0.00 H ATOM 717 HB VAL A 47 25.382 0.766 9.548 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.304 -0.530 9.549 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.177 -1.954 10.166 1.00 0.00 H ATOM 720 HG13 VAL A 47 24.025 -0.496 11.177 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.736 -1.807 10.459 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.553 -0.282 10.037 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.486 -0.356 11.461 1.00 0.00 H ATOM 724 H VAL A 47 27.208 0.598 7.670 1.00 0.00 H ATOM 725 N HIS A 48 23.649 -1.278 6.815 1.00 9.05 N ATOM 726 CA HIS A 48 22.508 -1.001 5.934 1.00 9.53 C ATOM 727 C HIS A 48 21.213 -0.951 6.730 1.00 9.90 C ATOM 728 O HIS A 48 20.321 -1.788 6.556 1.00 10.96 O ATOM 729 CB HIS A 48 22.394 -2.084 4.864 1.00 9.59 C ATOM 730 CG HIS A 48 23.679 -2.374 4.168 1.00 10.13 C ATOM 731 ND1 HIS A 48 24.343 -1.432 3.410 1.00 11.97 N ATOM 732 CD2 HIS A 48 24.433 -3.497 4.124 1.00 11.03 C ATOM 733 CE1 HIS A 48 25.449 -1.967 2.924 1.00 12.81 C ATOM 734 NE2 HIS A 48 25.526 -3.219 3.341 1.00 11.49 N ATOM 735 HA HIS A 48 22.675 -0.033 5.461 1.00 0.00 H ATOM 736 HB2 HIS A 48 22.044 -3.001 5.338 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.665 -1.759 4.121 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.214 -4.444 4.617 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.175 -1.462 2.287 1.00 0.00 H ATOM 740 H HIS A 48 23.801 -2.257 7.133 1.00 0.00 H ATOM 741 N GLU A 49 21.130 0.024 7.623 1.00 9.78 N ATOM 742 CA GLU A 49 19.931 0.281 8.401 1.00 9.72 C ATOM 743 C GLU A 49 19.802 1.790 8.437 1.00 9.66 C ATOM 744 O GLU A 49 20.746 2.500 8.074 1.00 9.90 O ATOM 745 CB GLU A 49 20.069 -0.281 9.826 1.00 10.00 C ATOM 746 CG GLU A 49 20.311 -1.801 9.908 1.00 10.37 C ATOM 747 CD GLU A 49 19.128 -2.645 9.441 1.00 11.72 C ATOM 748 OE1 GLU A 49 18.013 -2.104 9.301 1.00 13.84 O ATOM 749 OE2 GLU A 49 19.318 -3.861 9.215 1.00 11.74 O ATOM 750 HA GLU A 49 19.055 -0.198 7.964 1.00 0.00 H ATOM 751 HB2 GLU A 49 20.908 0.221 10.308 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.151 -0.055 10.369 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.173 -2.045 9.287 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.528 -2.058 10.945 1.00 0.00 H ATOM 755 H GLU A 49 21.960 0.632 7.774 1.00 0.00 H ATOM 756 N SER A 50 18.648 2.285 8.868 1.00 9.36 N ATOM 757 CA SER A 50 18.435 3.725 8.953 1.00 9.56 C ATOM 758 C SER A 50 19.386 4.340 9.976 1.00 9.71 C ATOM 759 O SER A 50 19.805 3.673 10.930 1.00 9.39 O ATOM 760 CB SER A 50 16.983 4.038 9.307 1.00 9.46 C ATOM 761 OG SER A 50 16.695 3.731 10.661 1.00 8.89 O ATOM 762 HA SER A 50 18.645 4.164 7.978 1.00 0.00 H ATOM 763 HB2 SER A 50 16.328 3.450 8.664 1.00 0.00 H ATOM 764 HB3 SER A 50 16.799 5.099 9.138 1.00 0.00 H ATOM 765 HG SER A 50 15.748 3.946 10.853 1.00 0.00 H ATOM 766 H SER A 50 17.885 1.636 9.149 1.00 0.00 H ATOM 767 N LEU A 51 19.736 5.608 9.776 1.00 10.09 N ATOM 768 CA LEU A 51 20.549 6.317 10.760 1.00 10.28 C ATOM 769 C LEU A 51 19.877 6.302 12.129 1.00 10.31 C ATOM 770 O LEU A 51 20.545 6.093 13.135 1.00 9.88 O ATOM 771 CB LEU A 51 20.854 7.763 10.324 1.00 10.63 C ATOM 772 CG LEU A 51 21.792 8.572 11.237 1.00 11.34 C ATOM 773 CD1 LEU A 51 23.165 7.912 11.411 1.00 11.84 C ATOM 774 CD2 LEU A 51 21.955 9.990 10.720 1.00 10.92 C ATOM 775 HA LEU A 51 21.500 5.790 10.831 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.309 7.722 9.334 1.00 0.00 H ATOM 777 HB3 LEU A 51 19.906 8.298 10.265 1.00 0.00 H ATOM 778 HG LEU A 51 21.321 8.598 12.220 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.378 9.963 9.716 1.00 0.00 H ATOM 780 HD22 LEU A 51 20.981 10.480 10.693 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.622 10.542 11.382 1.00 0.00 H ATOM 782 HD11 LEU A 51 23.038 6.924 11.854 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.647 7.816 10.438 1.00 0.00 H ATOM 784 HD13 LEU A 51 23.783 8.528 12.065 1.00 0.00 H ATOM 785 H LEU A 51 19.428 6.098 8.912 1.00 0.00 H ATOM 786 N ALA A 52 18.563 6.511 12.170 1.00 10.47 N ATOM 787 CA ALA A 52 17.843 6.473 13.445 1.00 10.62 C ATOM 788 C ALA A 52 18.036 5.128 14.162 1.00 10.71 C ATOM 789 O ALA A 52 18.310 5.097 15.367 1.00 10.96 O ATOM 790 CB ALA A 52 16.360 6.799 13.244 1.00 11.05 C ATOM 791 HA ALA A 52 18.267 7.242 14.091 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.263 7.797 12.816 1.00 0.00 H ATOM 793 HB2 ALA A 52 15.917 6.067 12.568 1.00 0.00 H ATOM 794 HB3 ALA A 52 15.848 6.764 14.206 1.00 0.00 H ATOM 795 H ALA A 52 18.043 6.703 11.290 1.00 0.00 H ATOM 796 N ASP A 53 17.936 4.029 13.417 1.00 10.77 N ATOM 797 CA ASP A 53 18.094 2.684 13.988 1.00 10.85 C ATOM 798 C ASP A 53 19.498 2.438 14.545 1.00 10.66 C ATOM 799 O ASP A 53 19.656 1.826 15.607 1.00 10.53 O ATOM 800 CB ASP A 53 17.719 1.601 12.968 1.00 11.48 C ATOM 801 CG ASP A 53 16.206 1.400 12.846 1.00 12.88 C ATOM 802 OD1 ASP A 53 15.432 2.022 13.611 1.00 14.72 O ATOM 803 OD2 ASP A 53 15.788 0.607 11.982 1.00 14.72 O ATOM 804 HA ASP A 53 17.404 2.625 14.829 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.112 1.889 11.993 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.172 0.659 13.277 1.00 0.00 H ATOM 807 H ASP A 53 17.740 4.125 12.400 1.00 0.00 H ATOM 808 N VAL A 54 20.513 2.925 13.838 1.00 10.04 N ATOM 809 CA VAL A 54 21.895 2.761 14.302 1.00 9.47 C ATOM 810 C VAL A 54 22.154 3.668 15.512 1.00 9.37 C ATOM 811 O VAL A 54 22.750 3.239 16.505 1.00 9.12 O ATOM 812 CB VAL A 54 22.919 2.972 13.150 1.00 9.54 C ATOM 813 CG1 VAL A 54 24.359 2.889 13.662 1.00 9.98 C ATOM 814 CG2 VAL A 54 22.692 1.922 12.067 1.00 9.80 C ATOM 815 HA VAL A 54 22.036 1.732 14.631 1.00 0.00 H ATOM 816 HB VAL A 54 22.767 3.969 12.736 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.520 3.660 14.415 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.530 1.907 14.103 1.00 0.00 H ATOM 819 HG13 VAL A 54 25.048 3.041 12.831 1.00 0.00 H ATOM 820 HG21 VAL A 54 22.824 0.928 12.493 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.679 2.019 11.675 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.410 2.072 11.261 1.00 0.00 H ATOM 823 H VAL A 54 20.325 3.427 12.947 1.00 0.00 H ATOM 824 N GLN A 55 21.668 4.907 15.453 1.00 9.36 N ATOM 825 CA GLN A 55 21.782 5.820 16.595 1.00 9.10 C ATOM 826 C GLN A 55 21.108 5.250 17.854 1.00 8.70 C ATOM 827 O GLN A 55 21.609 5.422 18.974 1.00 9.28 O ATOM 828 CB GLN A 55 21.215 7.197 16.241 1.00 9.04 C ATOM 829 CG GLN A 55 22.076 7.958 15.233 1.00 9.25 C ATOM 830 CD GLN A 55 21.441 9.266 14.764 1.00 9.59 C ATOM 831 OE1 GLN A 55 22.150 10.210 14.391 1.00 12.28 O ATOM 832 NE2 GLN A 55 20.109 9.322 14.756 1.00 9.85 N ATOM 833 HA GLN A 55 22.842 5.932 16.824 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.220 7.064 15.817 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.144 7.789 17.154 1.00 0.00 H ATOM 836 HG2 GLN A 55 23.035 8.186 15.698 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.238 7.320 14.364 1.00 0.00 H ATOM 838 HE22 GLN A 55 19.552 8.505 15.078 1.00 0.00 H ATOM 839 HE21 GLN A 55 19.627 10.183 14.427 1.00 0.00 H ATOM 840 H GLN A 55 21.200 5.232 14.583 1.00 0.00 H ATOM 841 N ALA A 56 20.000 4.539 17.652 1.00 8.38 N ATOM 842 CA ALA A 56 19.223 3.949 18.746 1.00 8.15 C ATOM 843 C ALA A 56 20.041 2.921 19.520 1.00 8.05 C ATOM 844 O ALA A 56 19.760 2.650 20.685 1.00 8.48 O ATOM 845 CB ALA A 56 17.975 3.301 18.196 1.00 8.69 C ATOM 846 HA ALA A 56 18.949 4.749 19.434 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.370 4.053 17.688 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.254 2.520 17.489 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.403 2.865 19.015 1.00 0.00 H ATOM 850 H ALA A 56 19.672 4.396 16.676 1.00 0.00 H ATOM 851 N VAL A 57 21.053 2.353 18.870 1.00 7.91 N ATOM 852 CA VAL A 57 21.904 1.347 19.518 1.00 7.63 C ATOM 853 C VAL A 57 22.614 1.916 20.759 1.00 7.77 C ATOM 854 O VAL A 57 22.911 1.173 21.701 1.00 7.36 O ATOM 855 CB VAL A 57 22.905 0.710 18.511 1.00 7.47 C ATOM 856 CG1 VAL A 57 23.844 -0.302 19.200 1.00 7.32 C ATOM 857 CG2 VAL A 57 22.139 0.020 17.387 1.00 8.49 C ATOM 858 HA VAL A 57 21.253 0.546 19.868 1.00 0.00 H ATOM 859 HB VAL A 57 23.520 1.511 18.102 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.415 0.205 19.977 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.251 -1.101 19.646 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.527 -0.723 18.462 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.504 -0.760 17.807 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.521 0.752 16.867 1.00 0.00 H ATOM 865 HG23 VAL A 57 22.846 -0.424 16.686 1.00 0.00 H ATOM 866 H VAL A 57 21.245 2.626 17.885 1.00 0.00 H ATOM 867 N CYS A 58 22.837 3.229 20.790 1.00 7.48 N ATOM 868 CA CYS A 58 23.496 3.868 21.939 1.00 8.03 C ATOM 869 C CYS A 58 22.680 3.794 23.232 1.00 8.24 C ATOM 870 O CYS A 58 23.192 4.124 24.300 1.00 8.59 O ATOM 871 CB CYS A 58 23.837 5.329 21.646 1.00 8.24 C ATOM 872 SG CYS A 58 25.027 5.562 20.335 1.00 9.14 S ATOM 873 HA CYS A 58 24.411 3.297 22.094 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.240 5.774 22.556 1.00 0.00 H ATOM 875 HB3 CYS A 58 22.918 5.844 21.368 1.00 0.00 H ATOM 876 H CYS A 58 22.539 3.815 19.984 1.00 0.00 H ATOM 877 N SER A 59 21.422 3.365 23.124 1.00 8.69 N ATOM 878 CA SER A 59 20.552 3.176 24.292 1.00 9.30 C ATOM 879 C SER A 59 20.217 1.696 24.521 1.00 9.02 C ATOM 880 O SER A 59 19.332 1.360 25.329 1.00 9.30 O ATOM 881 CB SER A 59 19.259 3.972 24.121 1.00 10.09 C ATOM 882 OG SER A 59 18.478 3.410 23.079 1.00 13.24 O ATOM 883 HA SER A 59 21.095 3.538 25.165 1.00 0.00 H ATOM 884 HB2 SER A 59 19.501 5.006 23.874 1.00 0.00 H ATOM 885 HB3 SER A 59 18.692 3.945 25.052 1.00 0.00 H ATOM 886 HG SER A 59 18.991 3.436 22.233 1.00 0.00 H ATOM 887 H SER A 59 21.043 3.157 22.178 1.00 0.00 H ATOM 888 N GLN A 60 20.926 0.820 23.810 1.00 8.12 N ATOM 889 CA GLN A 60 20.655 -0.617 23.857 1.00 7.87 C ATOM 890 C GLN A 60 21.602 -1.364 24.819 1.00 7.57 C ATOM 891 O GLN A 60 21.844 -0.858 25.915 1.00 8.09 O ATOM 892 CB GLN A 60 20.553 -1.179 22.432 1.00 7.56 C ATOM 893 CG GLN A 60 19.356 -0.537 21.711 1.00 7.72 C ATOM 894 CD GLN A 60 19.112 -1.003 20.285 1.00 7.94 C ATOM 895 OE1 GLN A 60 19.629 -2.023 19.839 1.00 9.20 O ATOM 896 NE2 GLN A 60 18.281 -0.248 19.566 1.00 8.97 N ATOM 897 HA GLN A 60 19.678 -0.793 24.306 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.469 -0.954 21.886 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.414 -2.259 22.476 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.460 -0.755 22.292 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.519 0.541 21.687 1.00 0.00 H ATOM 902 HE22 GLN A 60 17.865 0.609 19.983 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.049 -0.516 18.588 1.00 0.00 H ATOM 904 H GLN A 60 21.695 1.168 23.203 1.00 0.00 H ATOM 905 N LYS A 61 22.112 -2.541 24.456 1.00 7.28 N ATOM 906 CA LYS A 61 22.854 -3.355 25.435 1.00 7.68 C ATOM 907 C LYS A 61 24.280 -2.864 25.662 1.00 7.50 C ATOM 908 O LYS A 61 25.115 -2.947 24.768 1.00 7.65 O ATOM 909 CB LYS A 61 22.863 -4.835 25.047 1.00 7.32 C ATOM 910 CG LYS A 61 23.505 -5.722 26.097 1.00 8.94 C ATOM 911 CD LYS A 61 23.805 -7.091 25.539 1.00 13.60 C ATOM 912 CE LYS A 61 24.343 -8.007 26.619 1.00 16.40 C ATOM 913 NZ LYS A 61 24.530 -9.378 26.070 1.00 19.70 N ATOM 914 HA LYS A 61 22.318 -3.241 26.377 1.00 0.00 H ATOM 915 HB2 LYS A 61 21.834 -5.161 24.899 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.416 -4.946 24.114 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.435 -5.262 26.432 1.00 0.00 H ATOM 918 HG3 LYS A 61 22.825 -5.823 26.943 1.00 0.00 H ATOM 919 HD2 LYS A 61 22.890 -7.519 25.131 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.547 -6.999 24.746 1.00 0.00 H ATOM 921 HE2 LYS A 61 23.637 -8.042 27.449 1.00 0.00 H ATOM 922 HE3 LYS A 61 25.300 -7.625 26.974 1.00 0.00 H ATOM 923 HZ1 LYS A 61 23.616 -9.743 25.733 1.00 0.00 H ATOM 924 HZ2 LYS A 61 25.205 -9.344 25.279 1.00 0.00 H ATOM 925 HZ3 LYS A 61 24.899 -10.001 26.816 1.00 0.00 H ATOM 926 H LYS A 61 21.986 -2.885 23.482 1.00 0.00 H ATOM 927 N ASN A 62 24.555 -2.365 26.867 1.00 7.67 N ATOM 928 CA ASN A 62 25.887 -1.863 27.216 1.00 7.77 C ATOM 929 C ASN A 62 26.849 -3.042 27.373 1.00 7.45 C ATOM 930 O ASN A 62 26.579 -3.960 28.148 1.00 8.49 O ATOM 931 CB ASN A 62 25.801 -1.041 28.514 1.00 8.05 C ATOM 932 CG ASN A 62 27.087 -0.277 28.854 1.00 9.22 C ATOM 933 OD1 ASN A 62 27.321 0.033 30.028 1.00 10.84 O ATOM 934 ND2 ASN A 62 27.894 0.066 27.850 1.00 8.16 N ATOM 935 HA ASN A 62 26.263 -1.215 26.424 1.00 0.00 H ATOM 936 HB2 ASN A 62 24.990 -0.320 28.410 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.578 -1.721 29.336 1.00 0.00 H ATOM 938 HD22 ASN A 62 27.661 -0.215 26.876 1.00 0.00 H ATOM 939 HD21 ASN A 62 28.757 0.614 28.041 1.00 0.00 H ATOM 940 H ASN A 62 23.801 -2.331 27.582 1.00 0.00 H ATOM 941 N VAL A 63 27.945 -3.014 26.611 1.00 6.97 N ATOM 942 CA VAL A 63 28.968 -4.063 26.641 1.00 6.82 C ATOM 943 C VAL A 63 30.356 -3.417 26.646 1.00 6.34 C ATOM 944 O VAL A 63 30.510 -2.272 26.225 1.00 6.64 O ATOM 945 CB VAL A 63 28.858 -5.041 25.430 1.00 7.46 C ATOM 946 CG1 VAL A 63 27.522 -5.794 25.431 1.00 6.88 C ATOM 947 CG2 VAL A 63 29.072 -4.319 24.103 1.00 7.38 C ATOM 948 HA VAL A 63 28.810 -4.647 27.548 1.00 0.00 H ATOM 949 HB VAL A 63 29.655 -5.776 25.542 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.433 -6.373 26.350 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.703 -5.078 25.371 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.484 -6.465 24.573 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.317 -3.542 23.988 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.064 -3.868 24.092 1.00 0.00 H ATOM 955 HG23 VAL A 63 28.988 -5.034 23.284 1.00 0.00 H ATOM 956 H VAL A 63 28.079 -2.210 25.966 1.00 0.00 H ATOM 957 N ALA A 64 31.361 -4.145 27.122 1.00 6.26 N ATOM 958 CA ALA A 64 32.728 -3.624 27.107 1.00 5.78 C ATOM 959 C ALA A 64 33.228 -3.467 25.672 1.00 6.11 C ATOM 960 O ALA A 64 32.974 -4.331 24.823 1.00 6.25 O ATOM 961 CB ALA A 64 33.657 -4.548 27.890 1.00 5.69 C ATOM 962 HA ALA A 64 32.726 -2.643 27.582 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.314 -4.617 28.922 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.649 -5.539 27.436 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.670 -4.146 27.869 1.00 0.00 H ATOM 966 H ALA A 64 31.174 -5.092 27.508 1.00 0.00 H ATOM 967 N CYS A 65 33.925 -2.363 25.400 1.00 6.21 N ATOM 968 CA CYS A 65 34.620 -2.183 24.126 1.00 6.24 C ATOM 969 C CYS A 65 35.887 -3.024 24.094 1.00 5.87 C ATOM 970 O CYS A 65 36.462 -3.316 25.133 1.00 6.06 O ATOM 971 CB CYS A 65 35.032 -0.722 23.953 1.00 6.33 C ATOM 972 SG CYS A 65 33.685 0.466 24.024 1.00 7.69 S ATOM 973 HA CYS A 65 33.941 -2.486 23.329 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.520 -0.621 22.984 1.00 0.00 H ATOM 975 HB3 CYS A 65 35.742 -0.476 24.743 1.00 0.00 H ATOM 976 H CYS A 65 33.976 -1.609 26.114 1.00 0.00 H ATOM 977 N LYS A 66 36.338 -3.363 22.891 1.00 6.14 N ATOM 978 CA LYS A 66 37.575 -4.130 22.724 1.00 6.86 C ATOM 979 C LYS A 66 38.782 -3.471 23.408 1.00 7.27 C ATOM 980 O LYS A 66 39.674 -4.168 23.901 1.00 8.10 O ATOM 981 CB LYS A 66 37.867 -4.367 21.240 1.00 7.21 C ATOM 982 CG LYS A 66 36.979 -5.423 20.606 1.00 7.87 C ATOM 983 CD LYS A 66 37.166 -5.464 19.105 1.00 11.54 C ATOM 984 CE LYS A 66 36.413 -6.628 18.488 1.00 15.07 C ATOM 985 NZ LYS A 66 36.356 -6.502 16.999 1.00 18.39 N ATOM 986 HA LYS A 66 37.416 -5.089 23.217 1.00 0.00 H ATOM 987 HB2 LYS A 66 37.721 -3.428 20.706 1.00 0.00 H ATOM 988 HB3 LYS A 66 38.905 -4.684 21.139 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.232 -6.398 21.023 1.00 0.00 H ATOM 990 HG3 LYS A 66 35.937 -5.193 20.829 1.00 0.00 H ATOM 991 HD2 LYS A 66 36.796 -4.533 18.675 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.228 -5.569 18.882 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.397 -6.645 18.883 1.00 0.00 H ATOM 994 HE3 LYS A 66 36.919 -7.558 18.748 1.00 0.00 H ATOM 995 HZ1 LYS A 66 35.870 -5.618 16.745 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.323 -6.490 16.616 1.00 0.00 H ATOM 997 HZ3 LYS A 66 35.836 -7.311 16.604 1.00 0.00 H ATOM 998 H LYS A 66 35.800 -3.077 22.048 1.00 0.00 H ATOM 999 N ASN A 67 38.810 -2.139 23.435 1.00 8.06 N ATOM 1000 CA ASN A 67 39.899 -1.410 24.095 1.00 8.70 C ATOM 1001 C ASN A 67 39.741 -1.282 25.620 1.00 8.76 C ATOM 1002 O ASN A 67 40.567 -0.646 26.290 1.00 9.48 O ATOM 1003 CB ASN A 67 40.065 -0.019 23.469 1.00 9.06 C ATOM 1004 CG ASN A 67 38.912 0.921 23.797 1.00 9.30 C ATOM 1005 OD1 ASN A 67 37.985 0.569 24.519 1.00 8.03 O ATOM 1006 ND2 ASN A 67 38.974 2.145 23.258 1.00 12.38 N ATOM 1007 HA ASN A 67 40.795 -2.009 23.933 1.00 0.00 H ATOM 1008 HB2 ASN A 67 40.990 0.422 23.841 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.126 -0.130 22.386 1.00 0.00 H ATOM 1010 HD22 ASN A 67 39.777 2.406 22.651 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.219 2.835 23.447 1.00 0.00 H ATOM 1012 H ASN A 67 38.043 -1.605 22.978 1.00 0.00 H ATOM 1013 N GLY A 68 38.674 -1.867 26.162 1.00 8.52 N ATOM 1014 CA GLY A 68 38.428 -1.844 27.598 1.00 8.44 C ATOM 1015 C GLY A 68 37.586 -0.696 28.120 1.00 8.19 C ATOM 1016 O GLY A 68 37.251 -0.657 29.308 1.00 8.16 O ATOM 1017 HA3 GLY A 68 39.395 -1.801 28.100 1.00 0.00 H ATOM 1018 HA2 GLY A 68 37.923 -2.773 27.863 1.00 0.00 H ATOM 1019 H GLY A 68 37.996 -2.355 25.542 1.00 0.00 H ATOM 1020 N GLN A 69 37.250 0.252 27.248 1.00 8.19 N ATOM 1021 CA GLN A 69 36.329 1.313 27.637 1.00 8.32 C ATOM 1022 C GLN A 69 34.934 0.717 27.822 1.00 8.36 C ATOM 1023 O GLN A 69 34.658 -0.401 27.362 1.00 8.23 O ATOM 1024 CB GLN A 69 36.322 2.447 26.616 1.00 8.72 C ATOM 1025 CG GLN A 69 37.674 3.150 26.470 1.00 10.91 C ATOM 1026 CD GLN A 69 38.107 3.868 27.730 1.00 13.53 C ATOM 1027 OE1 GLN A 69 39.079 3.464 28.381 1.00 15.85 O ATOM 1028 NE2 GLN A 69 37.393 4.942 28.089 1.00 14.49 N ATOM 1029 HA GLN A 69 36.660 1.747 28.581 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.041 2.036 25.646 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.582 3.185 26.925 1.00 0.00 H ATOM 1032 HG2 GLN A 69 38.428 2.404 26.218 1.00 0.00 H ATOM 1033 HG3 GLN A 69 37.602 3.878 25.662 1.00 0.00 H ATOM 1034 HE22 GLN A 69 36.583 5.245 27.511 1.00 0.00 H ATOM 1035 HE21 GLN A 69 37.648 5.473 28.946 1.00 0.00 H ATOM 1036 H GLN A 69 37.646 0.236 26.286 1.00 0.00 H ATOM 1037 N THR A 70 34.068 1.458 28.506 1.00 8.00 N ATOM 1038 CA THR A 70 32.763 0.946 28.912 1.00 8.64 C ATOM 1039 C THR A 70 31.611 1.502 28.079 1.00 8.12 C ATOM 1040 O THR A 70 30.447 1.262 28.394 1.00 8.55 O ATOM 1041 CB THR A 70 32.484 1.262 30.401 1.00 9.32 C ATOM 1042 OG1 THR A 70 32.415 2.682 30.584 1.00 12.07 O ATOM 1043 CG2 THR A 70 33.584 0.706 31.278 1.00 11.03 C ATOM 1044 HA THR A 70 32.811 -0.131 28.750 1.00 0.00 H ATOM 1045 HB THR A 70 31.537 0.800 30.682 1.00 0.00 H ATOM 1046 HG1 THR A 70 31.685 3.050 30.026 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.643 -0.374 31.144 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.535 1.160 30.998 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.365 0.933 32.321 1.00 0.00 H ATOM 1050 H THR A 70 34.328 2.432 28.760 1.00 0.00 H ATOM 1051 N ASN A 71 31.934 2.244 27.025 1.00 6.76 N ATOM 1052 CA ASN A 71 30.900 2.972 26.275 1.00 6.63 C ATOM 1053 C ASN A 71 30.489 2.319 24.963 1.00 6.55 C ATOM 1054 O ASN A 71 30.174 3.010 23.994 1.00 6.25 O ATOM 1055 CB ASN A 71 31.329 4.422 26.046 1.00 6.97 C ATOM 1056 CG ASN A 71 32.558 4.537 25.158 1.00 7.31 C ATOM 1057 OD1 ASN A 71 33.566 3.835 25.353 1.00 8.60 O ATOM 1058 ND2 ASN A 71 32.483 5.424 24.168 1.00 7.32 N ATOM 1059 HA ASN A 71 30.009 2.942 26.901 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.506 4.959 25.574 1.00 0.00 H ATOM 1061 HB3 ASN A 71 31.552 4.877 27.011 1.00 0.00 H ATOM 1062 HD22 ASN A 71 31.620 5.990 24.042 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.287 5.551 23.521 1.00 0.00 H ATOM 1064 H ASN A 71 32.928 2.310 26.728 1.00 0.00 H ATOM 1065 N CYS A 72 30.489 0.989 24.938 1.00 5.87 N ATOM 1066 CA CYS A 72 30.034 0.272 23.745 1.00 6.16 C ATOM 1067 C CYS A 72 28.650 -0.302 23.946 1.00 6.57 C ATOM 1068 O CYS A 72 28.241 -0.586 25.070 1.00 6.52 O ATOM 1069 CB CYS A 72 31.034 -0.796 23.319 1.00 6.58 C ATOM 1070 SG CYS A 72 32.464 -0.072 22.486 1.00 6.88 S ATOM 1071 HA CYS A 72 29.971 0.993 22.930 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.542 -1.491 22.638 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.374 -1.335 24.203 1.00 0.00 H ATOM 1074 H CYS A 72 30.814 0.456 25.770 1.00 0.00 H ATOM 1075 N TYR A 73 27.931 -0.479 22.841 1.00 6.55 N ATOM 1076 CA TYR A 73 26.537 -0.906 22.876 1.00 7.17 C ATOM 1077 C TYR A 73 26.281 -1.887 21.752 1.00 6.98 C ATOM 1078 O TYR A 73 26.698 -1.669 20.609 1.00 7.32 O ATOM 1079 CB TYR A 73 25.596 0.301 22.778 1.00 7.47 C ATOM 1080 CG TYR A 73 25.818 1.247 23.925 1.00 8.02 C ATOM 1081 CD1 TYR A 73 26.821 2.215 23.852 1.00 8.50 C ATOM 1082 CD2 TYR A 73 25.083 1.131 25.110 1.00 10.57 C ATOM 1083 CE1 TYR A 73 27.088 3.065 24.912 1.00 9.15 C ATOM 1084 CE2 TYR A 73 25.348 1.984 26.189 1.00 9.69 C ATOM 1085 CZ TYR A 73 26.353 2.953 26.068 1.00 8.87 C ATOM 1086 OH TYR A 73 26.651 3.819 27.109 1.00 10.73 O ATOM 1087 HA TYR A 73 26.339 -1.400 23.827 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.564 -0.048 22.797 1.00 0.00 H ATOM 1089 HB2 TYR A 73 25.783 0.825 21.841 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.302 0.375 25.194 1.00 0.00 H ATOM 1091 HE2 TYR A 73 24.778 1.895 27.114 1.00 0.00 H ATOM 1092 HE1 TYR A 73 27.874 3.816 24.830 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.408 2.304 22.938 1.00 0.00 H ATOM 1094 HH TYR A 73 27.384 4.425 26.833 1.00 0.00 H ATOM 1095 H TYR A 73 28.379 -0.307 21.919 1.00 0.00 H ATOM 1096 N GLN A 74 25.616 -2.978 22.105 1.00 6.87 N ATOM 1097 CA GLN A 74 25.271 -4.021 21.147 1.00 7.11 C ATOM 1098 C GLN A 74 23.795 -3.935 20.771 1.00 7.53 C ATOM 1099 O GLN A 74 22.937 -3.786 21.642 1.00 7.73 O ATOM 1100 CB GLN A 74 25.592 -5.384 21.756 1.00 7.40 C ATOM 1101 CG GLN A 74 25.279 -6.574 20.864 1.00 7.94 C ATOM 1102 CD GLN A 74 25.787 -7.865 21.464 1.00 11.39 C ATOM 1103 OE1 GLN A 74 26.911 -7.928 21.957 1.00 12.85 O ATOM 1104 NE2 GLN A 74 24.953 -8.897 21.448 1.00 13.60 N ATOM 1105 HA GLN A 74 25.856 -3.885 20.237 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.656 -5.408 21.991 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.015 -5.489 22.675 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.199 -6.645 20.733 1.00 0.00 H ATOM 1109 HG3 GLN A 74 25.752 -6.424 19.894 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.011 -8.797 21.019 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.242 -9.805 21.864 1.00 0.00 H ATOM 1112 H GLN A 74 25.331 -3.094 23.098 1.00 0.00 H ATOM 1113 N SER A 75 23.508 -4.007 19.470 1.00 7.56 N ATOM 1114 CA SER A 75 22.130 -3.934 18.985 1.00 8.06 C ATOM 1115 C SER A 75 21.337 -5.157 19.454 1.00 8.38 C ATOM 1116 O SER A 75 21.844 -6.280 19.429 1.00 8.73 O ATOM 1117 CB SER A 75 22.104 -3.805 17.450 1.00 7.93 C ATOM 1118 OG SER A 75 22.618 -4.959 16.802 1.00 8.20 O ATOM 1119 HA SER A 75 21.657 -3.045 19.402 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.705 -2.943 17.160 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.074 -3.652 17.128 1.00 0.00 H ATOM 1122 HG SER A 75 22.074 -5.747 17.053 1.00 0.00 H ATOM 1123 H SER A 75 24.282 -4.118 18.785 1.00 0.00 H ATOM 1124 N TYR A 76 20.100 -4.935 19.898 1.00 9.11 N ATOM 1125 CA TYR A 76 19.248 -6.038 20.342 1.00 9.58 C ATOM 1126 C TYR A 76 18.844 -6.915 19.161 1.00 10.27 C ATOM 1127 O TYR A 76 18.737 -8.132 19.289 1.00 10.44 O ATOM 1128 CB TYR A 76 18.005 -5.515 21.067 1.00 9.43 C ATOM 1129 CG TYR A 76 18.304 -4.950 22.433 1.00 9.05 C ATOM 1130 CD1 TYR A 76 18.977 -5.710 23.385 1.00 9.26 C ATOM 1131 CD2 TYR A 76 17.906 -3.660 22.774 1.00 9.33 C ATOM 1132 CE1 TYR A 76 19.254 -5.200 24.647 1.00 8.59 C ATOM 1133 CE2 TYR A 76 18.177 -3.142 24.037 1.00 9.01 C ATOM 1134 CZ TYR A 76 18.855 -3.919 24.961 1.00 9.76 C ATOM 1135 OH TYR A 76 19.133 -3.418 26.211 1.00 10.44 O ATOM 1136 HA TYR A 76 19.822 -6.643 21.044 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.298 -6.337 21.180 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.554 -4.731 20.459 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.376 -3.049 22.043 1.00 0.00 H ATOM 1140 HE2 TYR A 76 17.858 -2.133 24.297 1.00 0.00 H ATOM 1141 HE1 TYR A 76 19.782 -5.807 25.382 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.292 -6.723 23.136 1.00 0.00 H ATOM 1143 HH TYR A 76 19.694 -2.607 26.123 1.00 0.00 H ATOM 1144 H TYR A 76 19.735 -3.962 19.929 1.00 0.00 H ATOM 1145 N SER A 77 18.642 -6.279 18.012 1.00 11.16 N ATOM 1146 CA SER A 77 18.276 -6.977 16.785 1.00 12.10 C ATOM 1147 C SER A 77 19.493 -7.119 15.881 1.00 12.34 C ATOM 1148 O SER A 77 20.444 -6.336 15.981 1.00 12.02 O ATOM 1149 CB SER A 77 17.172 -6.205 16.060 1.00 12.49 C ATOM 1150 OG SER A 77 16.009 -6.092 16.866 1.00 14.46 O ATOM 1151 HA SER A 77 17.909 -7.972 17.038 1.00 0.00 H ATOM 1152 HB2 SER A 77 16.917 -6.730 15.139 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.536 -5.206 15.819 1.00 0.00 H ATOM 1154 HG SER A 77 15.671 -6.997 17.084 1.00 0.00 H ATOM 1155 H SER A 77 18.749 -5.245 17.987 1.00 0.00 H ATOM 1156 N THR A 78 19.478 -8.120 15.004 1.00 12.46 N ATOM 1157 CA THR A 78 20.523 -8.217 13.995 1.00 12.91 C ATOM 1158 C THR A 78 20.297 -7.089 12.994 1.00 13.07 C ATOM 1159 O THR A 78 19.181 -6.575 12.849 1.00 12.79 O ATOM 1160 CB THR A 78 20.554 -9.578 13.259 1.00 12.92 C ATOM 1161 OG1 THR A 78 19.362 -9.736 12.483 1.00 13.03 O ATOM 1162 CG2 THR A 78 20.692 -10.735 14.249 1.00 13.42 C ATOM 1163 HA THR A 78 21.488 -8.134 14.496 1.00 0.00 H ATOM 1164 HB THR A 78 21.421 -9.592 12.599 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.303 -9.005 11.818 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.602 -10.604 14.834 1.00 0.00 H ATOM 1167 HG21 THR A 78 19.829 -10.747 14.915 1.00 0.00 H ATOM 1168 HG22 THR A 78 20.742 -11.676 13.701 1.00 0.00 H ATOM 1169 H THR A 78 18.721 -8.832 15.039 1.00 0.00 H ATOM 1170 N MET A 79 21.375 -6.687 12.337 1.00 14.09 N ATOM 1171 CA MET A 79 21.315 -5.640 11.338 1.00 15.00 C ATOM 1172 C MET A 79 22.014 -6.097 10.072 1.00 15.12 C ATOM 1173 O MET A 79 22.932 -6.932 10.117 1.00 14.95 O ATOM 1174 CB MET A 79 21.973 -4.360 11.858 1.00 15.01 C ATOM 1175 CG MET A 79 21.224 -3.710 13.013 1.00 15.80 C ATOM 1176 SD MET A 79 21.867 -2.086 13.407 1.00 16.73 S ATOM 1177 CE MET A 79 20.568 -1.440 14.444 1.00 16.26 C ATOM 1178 HA MET A 79 20.268 -5.429 11.119 1.00 0.00 H ATOM 1179 HB2 MET A 79 22.981 -4.604 12.195 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.029 -3.644 11.038 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.314 -4.347 13.893 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.173 -3.615 12.741 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.635 -1.412 13.881 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.448 -2.082 15.316 1.00 0.00 H ATOM 1185 HE3 MET A 79 20.830 -0.432 14.766 1.00 0.00 H ATOM 1186 H MET A 79 22.290 -7.136 12.544 1.00 0.00 H ATOM 1187 N SER A 80 21.560 -5.568 8.941 1.00 15.05 N ATOM 1188 CA SER A 80 22.196 -5.858 7.663 1.00 15.30 C ATOM 1189 C SER A 80 23.511 -5.092 7.582 1.00 15.31 C ATOM 1190 O SER A 80 23.531 -3.864 7.718 1.00 16.01 O ATOM 1191 CB SER A 80 21.278 -5.472 6.504 1.00 15.34 C ATOM 1192 OG SER A 80 21.938 -5.631 5.259 1.00 15.48 O ATOM 1193 HA SER A 80 22.392 -6.928 7.589 1.00 0.00 H ATOM 1194 HB2 SER A 80 20.978 -4.430 6.618 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.393 -6.108 6.523 1.00 0.00 H ATOM 1196 HG SER A 80 21.324 -5.375 4.526 1.00 0.00 H ATOM 1197 H SER A 80 20.735 -4.935 8.969 1.00 0.00 H ATOM 1198 N ILE A 81 24.609 -5.818 7.382 1.00 15.14 N ATOM 1199 CA ILE A 81 25.937 -5.195 7.319 1.00 15.45 C ATOM 1200 C ILE A 81 26.766 -5.762 6.179 1.00 15.68 C ATOM 1201 O ILE A 81 26.483 -6.844 5.668 1.00 15.64 O ATOM 1202 CB ILE A 81 26.738 -5.360 8.645 1.00 15.28 C ATOM 1203 CG1 ILE A 81 27.077 -6.834 8.914 1.00 15.77 C ATOM 1204 CG2 ILE A 81 25.977 -4.737 9.815 1.00 15.62 C ATOM 1205 CD1 ILE A 81 27.996 -7.063 10.107 1.00 15.61 C ATOM 1206 HA ILE A 81 25.755 -4.134 7.150 1.00 0.00 H ATOM 1207 HB ILE A 81 27.683 -4.827 8.538 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.145 -7.371 9.093 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.563 -7.239 8.027 1.00 0.00 H ATOM 1210 HD11 ILE A 81 28.941 -6.545 9.941 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.522 -6.676 11.009 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.181 -8.131 10.222 1.00 0.00 H ATOM 1213 HG21 ILE A 81 25.825 -3.675 9.624 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.011 -5.230 9.922 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.554 -4.864 10.731 1.00 0.00 H ATOM 1216 H ILE A 81 24.524 -6.848 7.268 1.00 0.00 H ATOM 1217 N THR A 82 27.803 -5.024 5.801 1.00 15.94 N ATOM 1218 CA THR A 82 28.779 -5.519 4.844 1.00 15.70 C ATOM 1219 C THR A 82 30.163 -5.291 5.410 1.00 15.77 C ATOM 1220 O THR A 82 30.528 -4.159 5.737 1.00 15.93 O ATOM 1221 CB THR A 82 28.661 -4.810 3.488 1.00 15.92 C ATOM 1222 OG1 THR A 82 27.353 -5.033 2.957 1.00 16.15 O ATOM 1223 CG2 THR A 82 29.705 -5.343 2.505 1.00 16.31 C ATOM 1224 HA THR A 82 28.593 -6.580 4.678 1.00 0.00 H ATOM 1225 HB THR A 82 28.833 -3.743 3.632 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.678 -4.670 3.583 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.703 -5.173 2.909 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.549 -6.411 2.355 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.604 -4.823 1.552 1.00 0.00 H ATOM 1230 H THR A 82 27.920 -4.070 6.199 1.00 0.00 H ATOM 1231 N ASP A 83 30.920 -6.374 5.546 1.00 15.59 N ATOM 1232 CA ASP A 83 32.310 -6.279 5.954 1.00 15.99 C ATOM 1233 C ASP A 83 33.182 -6.170 4.723 1.00 15.65 C ATOM 1234 O ASP A 83 32.961 -6.875 3.733 1.00 15.45 O ATOM 1235 CB ASP A 83 32.728 -7.497 6.777 1.00 16.23 C ATOM 1236 CG ASP A 83 32.067 -7.532 8.140 1.00 18.06 C ATOM 1237 OD1 ASP A 83 31.977 -6.475 8.796 1.00 18.54 O ATOM 1238 OD2 ASP A 83 31.644 -8.626 8.565 1.00 20.33 O ATOM 1239 HA ASP A 83 32.430 -5.393 6.578 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.452 -8.399 6.231 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.809 -7.473 6.913 1.00 0.00 H ATOM 1242 H ASP A 83 30.508 -7.310 5.356 1.00 0.00 H ATOM 1243 N CYS A 84 34.172 -5.282 4.806 1.00 15.30 N ATOM 1244 CA CYS A 84 35.180 -5.124 3.771 1.00 15.56 C ATOM 1245 C CYS A 84 36.539 -5.444 4.356 1.00 15.93 C ATOM 1246 O CYS A 84 36.974 -4.802 5.309 1.00 15.93 O ATOM 1247 CB CYS A 84 35.173 -3.698 3.227 1.00 15.50 C ATOM 1248 SG CYS A 84 33.589 -3.173 2.546 1.00 15.09 S ATOM 1249 HA CYS A 84 34.959 -5.804 2.949 1.00 0.00 H ATOM 1250 HB2 CYS A 84 35.923 -3.629 2.440 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.437 -3.021 4.039 1.00 0.00 H ATOM 1252 H CYS A 84 34.226 -4.675 5.649 1.00 0.00 H ATOM 1253 N ARG A 85 37.201 -6.446 3.785 1.00 16.75 N ATOM 1254 CA ARG A 85 38.518 -6.854 4.255 1.00 17.66 C ATOM 1255 C ARG A 85 39.503 -6.836 3.100 1.00 17.72 C ATOM 1256 O ARG A 85 39.244 -7.432 2.047 1.00 17.66 O ATOM 1257 CB ARG A 85 38.467 -8.245 4.890 1.00 18.29 C ATOM 1258 CG ARG A 85 39.749 -8.640 5.614 1.00 20.47 C ATOM 1259 CD ARG A 85 39.544 -9.857 6.506 1.00 23.64 C ATOM 1260 NE ARG A 85 38.549 -9.605 7.549 1.00 25.94 N ATOM 1261 CZ ARG A 85 38.831 -9.284 8.810 1.00 27.10 C ATOM 1262 NH1 ARG A 85 37.843 -9.072 9.670 1.00 27.82 N ATOM 1263 NH2 ARG A 85 40.090 -9.177 9.219 1.00 27.67 N ATOM 1264 HA ARG A 85 38.848 -6.149 5.018 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.647 -8.265 5.608 1.00 0.00 H ATOM 1266 HB3 ARG A 85 38.278 -8.975 4.103 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.516 -8.870 4.874 1.00 0.00 H ATOM 1268 HG3 ARG A 85 40.079 -7.803 6.229 1.00 0.00 H ATOM 1269 HD2 ARG A 85 40.493 -10.113 6.978 1.00 0.00 H ATOM 1270 HD3 ARG A 85 39.208 -10.692 5.892 1.00 0.00 H ATOM 1271 HE ARG A 85 37.546 -9.682 7.285 1.00 0.00 H ATOM 1272 HH12 ARG A 85 38.057 -8.821 10.656 1.00 0.00 H ATOM 1273 HH11 ARG A 85 36.855 -9.157 9.358 1.00 0.00 H ATOM 1274 HH22 ARG A 85 40.296 -8.926 10.207 1.00 0.00 H ATOM 1275 HH21 ARG A 85 40.870 -9.345 8.551 1.00 0.00 H ATOM 1276 H ARG A 85 36.769 -6.950 2.985 1.00 0.00 H ATOM 1277 N GLU A 86 40.623 -6.146 3.302 1.00 18.04 N ATOM 1278 CA GLU A 86 41.650 -6.015 2.270 1.00 18.41 C ATOM 1279 C GLU A 86 42.230 -7.380 1.892 1.00 18.60 C ATOM 1280 O GLU A 86 42.602 -8.161 2.769 1.00 18.69 O ATOM 1281 CB GLU A 86 42.762 -5.063 2.721 1.00 18.49 C ATOM 1282 CG GLU A 86 43.759 -4.781 1.610 1.00 18.68 C ATOM 1283 CD GLU A 86 44.933 -3.922 2.022 1.00 18.49 C ATOM 1284 OE1 GLU A 86 45.569 -3.352 1.115 1.00 19.00 O ATOM 1285 OE2 GLU A 86 45.231 -3.819 3.231 1.00 19.65 O ATOM 1286 HA GLU A 86 41.177 -5.592 1.384 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.312 -4.122 3.037 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.290 -5.513 3.562 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.145 -5.734 1.249 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.233 -4.274 0.801 1.00 0.00 H ATOM 1291 H GLU A 86 40.772 -5.686 4.223 1.00 0.00 H ATOM 1292 N THR A 87 42.283 -7.657 0.587 1.00 18.67 N ATOM 1293 CA THR A 87 42.829 -8.915 0.067 1.00 18.98 C ATOM 1294 C THR A 87 44.341 -8.990 0.276 1.00 19.17 C ATOM 1295 O THR A 87 45.007 -7.966 0.458 1.00 19.23 O ATOM 1296 CB THR A 87 42.526 -9.107 -1.445 1.00 19.05 C ATOM 1297 OG1 THR A 87 43.201 -8.101 -2.211 1.00 19.01 O ATOM 1298 CG2 THR A 87 41.027 -9.046 -1.727 1.00 19.27 C ATOM 1299 HA THR A 87 42.338 -9.711 0.627 1.00 0.00 H ATOM 1300 HB THR A 87 42.887 -10.094 -1.735 1.00 0.00 H ATOM 1301 HG1 THR A 87 43.002 -8.231 -3.172 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.517 -9.812 -1.143 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.646 -8.063 -1.450 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.851 -9.219 -2.789 1.00 0.00 H ATOM 1305 H THR A 87 41.923 -6.952 -0.088 1.00 0.00 H ATOM 1306 N GLY A 88 44.879 -10.208 0.238 1.00 19.32 N ATOM 1307 CA GLY A 88 46.314 -10.426 0.397 1.00 19.68 C ATOM 1308 C GLY A 88 47.159 -9.863 -0.735 1.00 19.79 C ATOM 1309 O GLY A 88 48.355 -9.629 -0.560 1.00 20.08 O ATOM 1310 HA3 GLY A 88 46.493 -11.500 0.456 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.631 -9.955 1.327 1.00 0.00 H ATOM 1312 H GLY A 88 44.258 -11.029 0.091 1.00 0.00 H ATOM 1313 N SER A 89 46.536 -9.646 -1.893 1.00 19.81 N ATOM 1314 CA SER A 89 47.237 -9.164 -3.084 1.00 19.76 C ATOM 1315 C SER A 89 46.988 -7.680 -3.359 1.00 19.45 C ATOM 1316 O SER A 89 47.552 -7.113 -4.301 1.00 19.62 O ATOM 1317 CB SER A 89 46.842 -9.994 -4.308 1.00 19.79 C ATOM 1318 OG SER A 89 45.475 -9.794 -4.625 1.00 20.80 O ATOM 1319 HA SER A 89 48.303 -9.281 -2.888 1.00 0.00 H ATOM 1320 HB2 SER A 89 47.010 -11.050 -4.095 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.455 -9.694 -5.158 1.00 0.00 H ATOM 1322 HG SER A 89 44.915 -10.069 -3.856 1.00 0.00 H ATOM 1323 H SER A 89 45.513 -9.826 -1.953 1.00 0.00 H ATOM 1324 N SER A 90 46.143 -7.063 -2.535 1.00 19.10 N ATOM 1325 CA SER A 90 45.851 -5.634 -2.624 1.00 18.65 C ATOM 1326 C SER A 90 47.103 -4.805 -2.375 1.00 18.60 C ATOM 1327 O SER A 90 47.799 -5.004 -1.378 1.00 19.09 O ATOM 1328 CB SER A 90 44.765 -5.254 -1.615 1.00 18.43 C ATOM 1329 OG SER A 90 44.638 -3.847 -1.476 1.00 17.24 O ATOM 1330 HA SER A 90 45.494 -5.423 -3.632 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.019 -5.682 -0.645 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.812 -5.662 -1.952 1.00 0.00 H ATOM 1333 HG SER A 90 45.498 -3.469 -1.163 1.00 0.00 H ATOM 1334 H SER A 90 45.671 -7.622 -1.796 1.00 0.00 H ATOM 1335 N LYS A 91 47.391 -3.894 -3.299 1.00 18.52 N ATOM 1336 CA LYS A 91 48.543 -3.006 -3.181 1.00 18.26 C ATOM 1337 C LYS A 91 48.135 -1.562 -3.438 1.00 17.95 C ATOM 1338 O LYS A 91 47.698 -1.215 -4.537 1.00 18.09 O ATOM 1339 CB LYS A 91 49.669 -3.434 -4.135 1.00 18.66 C ATOM 1340 CG LYS A 91 50.348 -4.755 -3.765 1.00 19.45 C ATOM 1341 CD LYS A 91 51.138 -4.649 -2.455 1.00 21.73 C ATOM 1342 CE LYS A 91 51.653 -6.012 -1.987 1.00 22.30 C ATOM 1343 NZ LYS A 91 52.384 -6.755 -3.052 1.00 23.82 N ATOM 1344 HA LYS A 91 48.923 -3.078 -2.162 1.00 0.00 H ATOM 1345 HB2 LYS A 91 49.248 -3.536 -5.135 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.427 -2.651 -4.140 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.584 -5.524 -3.654 1.00 0.00 H ATOM 1348 HG3 LYS A 91 51.031 -5.036 -4.566 1.00 0.00 H ATOM 1349 HD2 LYS A 91 51.988 -3.985 -2.609 1.00 0.00 H ATOM 1350 HD3 LYS A 91 50.489 -4.234 -1.684 1.00 0.00 H ATOM 1351 HE2 LYS A 91 50.803 -6.613 -1.665 1.00 0.00 H ATOM 1352 HE3 LYS A 91 52.328 -5.858 -1.145 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 51.748 -6.917 -3.859 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 53.204 -6.196 -3.362 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 52.708 -7.669 -2.676 1.00 0.00 H ATOM 1356 H LYS A 91 46.775 -3.811 -4.133 1.00 0.00 H ATOM 1357 N TYR A 92 48.259 -0.738 -2.400 1.00 17.46 N ATOM 1358 CA TYR A 92 48.041 0.702 -2.485 1.00 17.05 C ATOM 1359 C TYR A 92 48.794 1.268 -3.692 1.00 17.05 C ATOM 1360 O TYR A 92 49.943 0.896 -3.914 1.00 16.45 O ATOM 1361 CB TYR A 92 48.530 1.370 -1.195 1.00 16.99 C ATOM 1362 CG TYR A 92 48.326 2.866 -1.160 1.00 16.48 C ATOM 1363 CD1 TYR A 92 47.153 3.412 -0.647 1.00 17.16 C ATOM 1364 CD2 TYR A 92 49.300 3.738 -1.651 1.00 16.67 C ATOM 1365 CE1 TYR A 92 46.950 4.784 -0.620 1.00 17.21 C ATOM 1366 CE2 TYR A 92 49.106 5.115 -1.627 1.00 16.63 C ATOM 1367 CZ TYR A 92 47.931 5.629 -1.105 1.00 17.13 C ATOM 1368 OH TYR A 92 47.727 6.988 -1.071 1.00 16.82 O ATOM 1369 HA TYR A 92 46.977 0.903 -2.609 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.595 1.167 -1.087 1.00 0.00 H ATOM 1371 HB2 TYR A 92 47.990 0.931 -0.356 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.226 3.333 -2.059 1.00 0.00 H ATOM 1373 HE2 TYR A 92 49.873 5.784 -2.016 1.00 0.00 H ATOM 1374 HE1 TYR A 92 46.023 5.193 -0.219 1.00 0.00 H ATOM 1375 HD1 TYR A 92 46.379 2.749 -0.259 1.00 0.00 H ATOM 1376 HH TYR A 92 46.842 7.178 -0.669 1.00 0.00 H ATOM 1377 H TYR A 92 48.525 -1.142 -1.480 1.00 0.00 H ATOM 1378 N PRO A 93 48.165 2.181 -4.463 1.00 17.24 N ATOM 1379 CA PRO A 93 46.861 2.836 -4.294 1.00 17.53 C ATOM 1380 C PRO A 93 45.663 2.032 -4.814 1.00 17.63 C ATOM 1381 O PRO A 93 44.523 2.495 -4.712 1.00 18.24 O ATOM 1382 CB PRO A 93 47.026 4.118 -5.114 1.00 17.62 C ATOM 1383 CG PRO A 93 47.907 3.710 -6.237 1.00 17.64 C ATOM 1384 CD PRO A 93 48.851 2.657 -5.683 1.00 17.41 C ATOM 1385 HA PRO A 93 46.632 2.978 -3.238 1.00 0.00 H ATOM 1386 HD3 PRO A 93 48.988 1.843 -6.395 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.820 3.092 -5.440 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.472 4.567 -6.604 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.313 3.293 -7.050 1.00 0.00 H ATOM 1390 HB2 PRO A 93 46.063 4.469 -5.484 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.493 4.902 -4.519 1.00 0.00 H ATOM 1392 N ASN A 94 45.920 0.846 -5.361 1.00 17.51 N ATOM 1393 CA ASN A 94 44.860 -0.001 -5.904 1.00 17.72 C ATOM 1394 C ASN A 94 44.326 -0.942 -4.840 1.00 17.26 C ATOM 1395 O ASN A 94 44.543 -2.154 -4.890 1.00 17.46 O ATOM 1396 CB ASN A 94 45.358 -0.795 -7.115 1.00 17.76 C ATOM 1397 CG ASN A 94 45.833 0.094 -8.242 1.00 19.01 C ATOM 1398 OD1 ASN A 94 46.984 0.003 -8.671 1.00 20.93 O ATOM 1399 ND2 ASN A 94 44.950 0.963 -8.725 1.00 19.88 N ATOM 1400 HA ASN A 94 44.048 0.649 -6.232 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.186 -1.430 -6.799 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.543 -1.418 -7.482 1.00 0.00 H ATOM 1403 HD22 ASN A 94 43.989 1.002 -8.329 1.00 0.00 H ATOM 1404 HD21 ASN A 94 45.220 1.604 -9.498 1.00 0.00 H ATOM 1405 H ASN A 94 46.904 0.512 -5.403 1.00 0.00 H ATOM 1406 N CYS A 95 43.639 -0.366 -3.862 1.00 16.96 N ATOM 1407 CA CYS A 95 43.135 -1.127 -2.738 1.00 16.38 C ATOM 1408 C CYS A 95 42.032 -2.080 -3.182 1.00 16.35 C ATOM 1409 O CYS A 95 41.062 -1.672 -3.822 1.00 16.99 O ATOM 1410 CB CYS A 95 42.646 -0.179 -1.641 1.00 16.06 C ATOM 1411 SG CYS A 95 43.938 0.953 -1.053 1.00 15.77 S ATOM 1412 HA CYS A 95 43.945 -1.732 -2.330 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.296 -0.774 -0.798 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.819 0.412 -2.035 1.00 0.00 H ATOM 1415 H CYS A 95 43.458 0.657 -3.904 1.00 0.00 H ATOM 1416 N ALA A 96 42.208 -3.354 -2.851 1.00 15.89 N ATOM 1417 CA ALA A 96 41.258 -4.392 -3.235 1.00 15.32 C ATOM 1418 C ALA A 96 40.687 -5.074 -2.002 1.00 15.23 C ATOM 1419 O ALA A 96 41.409 -5.333 -1.032 1.00 14.88 O ATOM 1420 CB ALA A 96 41.920 -5.404 -4.149 1.00 15.38 C ATOM 1421 HA ALA A 96 40.436 -3.925 -3.779 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.278 -4.901 -5.047 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.760 -5.866 -3.630 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.196 -6.171 -4.425 1.00 0.00 H ATOM 1425 H ALA A 96 43.050 -3.620 -2.301 1.00 0.00 H ATOM 1426 N TYR A 97 39.391 -5.369 -2.059 1.00 14.70 N ATOM 1427 CA TYR A 97 38.641 -5.852 -0.907 1.00 14.72 C ATOM 1428 C TYR A 97 37.734 -7.022 -1.228 1.00 14.79 C ATOM 1429 O TYR A 97 37.192 -7.130 -2.331 1.00 15.00 O ATOM 1430 CB TYR A 97 37.782 -4.724 -0.329 1.00 14.29 C ATOM 1431 CG TYR A 97 38.589 -3.617 0.290 1.00 13.35 C ATOM 1432 CD1 TYR A 97 38.987 -2.516 -0.463 1.00 12.67 C ATOM 1433 CD2 TYR A 97 38.966 -3.676 1.631 1.00 13.34 C ATOM 1434 CE1 TYR A 97 39.751 -1.502 0.093 1.00 13.03 C ATOM 1435 CE2 TYR A 97 39.726 -2.675 2.196 1.00 13.63 C ATOM 1436 CZ TYR A 97 40.116 -1.589 1.423 1.00 13.40 C ATOM 1437 OH TYR A 97 40.862 -0.588 1.980 1.00 13.52 O ATOM 1438 HA TYR A 97 39.384 -6.193 -0.187 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.128 -5.144 0.435 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.177 -4.304 -1.132 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.656 -4.525 2.240 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.020 -2.735 3.244 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.060 -0.648 -0.510 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.692 -2.450 -1.510 1.00 0.00 H ATOM 1445 HH TYR A 97 40.359 -0.181 2.730 1.00 0.00 H ATOM 1446 H TYR A 97 38.892 -5.250 -2.964 1.00 0.00 H ATOM 1447 N LYS A 98 37.578 -7.899 -0.242 1.00 15.29 N ATOM 1448 CA LYS A 98 36.534 -8.908 -0.261 1.00 15.86 C ATOM 1449 C LYS A 98 35.272 -8.314 0.371 1.00 15.36 C ATOM 1450 O LYS A 98 35.332 -7.681 1.435 1.00 15.84 O ATOM 1451 CB LYS A 98 37.001 -10.158 0.488 1.00 15.86 C ATOM 1452 CG LYS A 98 35.934 -11.228 0.724 1.00 16.59 C ATOM 1453 CD LYS A 98 36.521 -12.471 1.400 1.00 17.24 C ATOM 1454 CE LYS A 98 37.319 -12.144 2.668 1.00 19.37 C ATOM 1455 NZ LYS A 98 36.483 -11.625 3.786 1.00 20.20 N ATOM 1456 HA LYS A 98 36.310 -9.206 -1.285 1.00 0.00 H ATOM 1457 HB2 LYS A 98 37.808 -10.611 -0.087 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.381 -9.844 1.460 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.153 -10.814 1.361 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.504 -11.517 -0.235 1.00 0.00 H ATOM 1461 HD2 LYS A 98 35.703 -13.140 1.667 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.182 -12.972 0.693 1.00 0.00 H ATOM 1463 HE2 LYS A 98 38.067 -11.391 2.419 1.00 0.00 H ATOM 1464 HE3 LYS A 98 37.818 -13.053 3.005 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 36.008 -10.750 3.485 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 35.770 -12.337 4.044 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 37.089 -11.427 4.607 1.00 0.00 H ATOM 1468 H LYS A 98 38.226 -7.861 0.571 1.00 0.00 H ATOM 1469 N THR A 99 34.144 -8.493 -0.313 1.00 15.28 N ATOM 1470 CA THR A 99 32.846 -8.001 0.141 1.00 14.54 C ATOM 1471 C THR A 99 32.056 -9.148 0.772 1.00 14.26 C ATOM 1472 O THR A 99 31.753 -10.131 0.100 1.00 14.06 O ATOM 1473 CB THR A 99 32.042 -7.383 -1.040 1.00 14.87 C ATOM 1474 OG1 THR A 99 32.715 -6.213 -1.523 1.00 15.09 O ATOM 1475 CG2 THR A 99 30.619 -7.012 -0.626 1.00 14.52 C ATOM 1476 HA THR A 99 33.009 -7.220 0.884 1.00 0.00 H ATOM 1477 HB THR A 99 31.980 -8.135 -1.827 1.00 0.00 H ATOM 1478 HG1 THR A 99 33.621 -6.460 -1.836 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.106 -7.900 -0.258 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.656 -6.260 0.162 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.084 -6.612 -1.487 1.00 0.00 H ATOM 1482 H THR A 99 34.189 -9.009 -1.215 1.00 0.00 H ATOM 1483 N THR A 100 31.737 -9.023 2.062 1.00 13.31 N ATOM 1484 CA THR A 100 30.957 -10.046 2.770 1.00 13.03 C ATOM 1485 C THR A 100 29.722 -9.468 3.457 1.00 12.56 C ATOM 1486 O THR A 100 29.823 -8.683 4.402 1.00 12.39 O ATOM 1487 CB THR A 100 31.810 -10.831 3.798 1.00 13.03 C ATOM 1488 OG1 THR A 100 32.956 -11.387 3.142 1.00 13.32 O ATOM 1489 CG2 THR A 100 30.991 -11.973 4.436 1.00 13.18 C ATOM 1490 HA THR A 100 30.624 -10.741 1.999 1.00 0.00 H ATOM 1491 HB THR A 100 32.122 -10.142 4.583 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.498 -10.656 2.752 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.117 -11.556 4.937 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.669 -12.666 3.659 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.610 -12.501 5.162 1.00 0.00 H ATOM 1496 H THR A 100 32.050 -8.177 2.580 1.00 0.00 H ATOM 1497 N GLN A 101 28.562 -9.878 2.960 1.00 12.03 N ATOM 1498 CA GLN A 101 27.275 -9.491 3.508 1.00 11.62 C ATOM 1499 C GLN A 101 26.902 -10.434 4.653 1.00 10.96 C ATOM 1500 O GLN A 101 27.107 -11.647 4.560 1.00 10.80 O ATOM 1501 CB GLN A 101 26.220 -9.548 2.393 1.00 12.04 C ATOM 1502 CG GLN A 101 24.796 -9.216 2.810 1.00 13.14 C ATOM 1503 CD GLN A 101 24.661 -7.844 3.431 1.00 13.55 C ATOM 1504 OE1 GLN A 101 25.298 -6.883 2.994 1.00 14.98 O ATOM 1505 NE2 GLN A 101 23.819 -7.741 4.455 1.00 13.13 N ATOM 1506 HA GLN A 101 27.324 -8.475 3.900 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.515 -8.841 1.617 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.221 -10.558 1.982 1.00 0.00 H ATOM 1509 HG2 GLN A 101 24.157 -9.262 1.928 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.465 -9.959 3.536 1.00 0.00 H ATOM 1511 HE22 GLN A 101 23.303 -8.579 4.790 1.00 0.00 H ATOM 1512 HE21 GLN A 101 23.677 -6.822 4.921 1.00 0.00 H ATOM 1513 H GLN A 101 28.576 -10.510 2.134 1.00 0.00 H ATOM 1514 N ALA A 102 26.363 -9.866 5.730 1.00 10.09 N ATOM 1515 CA ALA A 102 25.920 -10.647 6.884 1.00 9.72 C ATOM 1516 C ALA A 102 24.764 -9.958 7.600 1.00 9.27 C ATOM 1517 O ALA A 102 24.529 -8.765 7.412 1.00 9.11 O ATOM 1518 CB ALA A 102 27.082 -10.864 7.856 1.00 10.34 C ATOM 1519 HA ALA A 102 25.572 -11.614 6.522 1.00 0.00 H ATOM 1520 HB1 ALA A 102 27.883 -11.401 7.348 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.452 -9.898 8.200 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.736 -11.447 8.710 1.00 0.00 H ATOM 1523 H ALA A 102 26.253 -8.832 5.751 1.00 0.00 H ATOM 1524 N ASN A 103 24.042 -10.725 8.412 1.00 8.82 N ATOM 1525 CA ASN A 103 23.092 -10.167 9.367 1.00 8.55 C ATOM 1526 C ASN A 103 23.569 -10.513 10.765 1.00 8.49 C ATOM 1527 O ASN A 103 23.579 -11.679 11.162 1.00 8.57 O ATOM 1528 CB ASN A 103 21.676 -10.682 9.100 1.00 8.66 C ATOM 1529 CG ASN A 103 21.134 -10.199 7.771 1.00 9.92 C ATOM 1530 OD1 ASN A 103 20.689 -9.057 7.646 1.00 11.87 O ATOM 1531 ND2 ASN A 103 21.175 -11.067 6.768 1.00 12.50 N ATOM 1532 HA ASN A 103 23.046 -9.083 9.262 1.00 0.00 H ATOM 1533 HB2 ASN A 103 21.693 -11.772 9.098 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.019 -10.332 9.896 1.00 0.00 H ATOM 1535 HD22 ASN A 103 21.560 -12.021 6.921 1.00 0.00 H ATOM 1536 HD21 ASN A 103 20.822 -10.793 5.829 1.00 0.00 H ATOM 1537 H ASN A 103 24.159 -11.757 8.364 1.00 0.00 H ATOM 1538 N LYS A 104 23.998 -9.485 11.491 1.00 7.90 N ATOM 1539 CA LYS A 104 24.656 -9.664 12.776 1.00 8.20 C ATOM 1540 C LYS A 104 24.301 -8.520 13.714 1.00 7.57 C ATOM 1541 O LYS A 104 23.828 -7.467 13.282 1.00 7.67 O ATOM 1542 CB LYS A 104 26.179 -9.723 12.587 1.00 8.26 C ATOM 1543 CG LYS A 104 26.707 -11.007 11.937 1.00 9.00 C ATOM 1544 CD LYS A 104 28.224 -10.961 11.744 1.00 9.78 C ATOM 1545 CE LYS A 104 28.981 -11.340 13.015 1.00 11.97 C ATOM 1546 NZ LYS A 104 30.465 -11.175 12.873 1.00 15.46 N ATOM 1547 HA LYS A 104 24.313 -10.602 13.213 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.474 -8.881 11.960 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.645 -9.625 13.568 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.457 -11.855 12.575 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.231 -11.133 10.965 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.498 -11.657 10.951 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.510 -9.950 11.453 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.766 -12.382 13.252 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.635 -10.705 13.830 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.808 -11.784 12.103 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.683 -10.182 12.655 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.929 -11.446 13.763 1.00 0.00 H ATOM 1559 H LYS A 104 23.858 -8.520 11.128 1.00 0.00 H ATOM 1560 N HIS A 105 24.519 -8.735 15.006 1.00 7.15 N ATOM 1561 CA HIS A 105 24.367 -7.665 15.977 1.00 6.79 C ATOM 1562 C HIS A 105 25.600 -6.790 15.881 1.00 6.86 C ATOM 1563 O HIS A 105 26.724 -7.296 15.860 1.00 7.62 O ATOM 1564 CB HIS A 105 24.230 -8.231 17.387 1.00 7.10 C ATOM 1565 CG HIS A 105 23.071 -9.163 17.547 1.00 8.10 C ATOM 1566 ND1 HIS A 105 21.835 -8.749 17.994 1.00 9.31 N ATOM 1567 CD2 HIS A 105 22.958 -10.489 17.301 1.00 9.41 C ATOM 1568 CE1 HIS A 105 21.014 -9.783 18.030 1.00 10.63 C ATOM 1569 NE2 HIS A 105 21.668 -10.850 17.610 1.00 10.09 N ATOM 1570 HA HIS A 105 23.466 -7.089 15.768 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.144 -8.772 17.632 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.103 -7.400 18.081 1.00 0.00 H ATOM 1573 HD2 HIS A 105 23.743 -11.147 16.928 1.00 0.00 H ATOM 1574 HE1 HIS A 105 19.973 -9.759 18.352 1.00 0.00 H ATOM 1575 H HIS A 105 24.803 -9.683 15.327 1.00 0.00 H ATOM 1576 N ILE A 106 25.398 -5.486 15.788 1.00 5.51 N ATOM 1577 CA ILE A 106 26.553 -4.569 15.743 1.00 5.42 C ATOM 1578 C ILE A 106 26.905 -4.084 17.144 1.00 5.13 C ATOM 1579 O ILE A 106 26.053 -4.026 18.027 1.00 5.10 O ATOM 1580 CB ILE A 106 26.345 -3.354 14.794 1.00 5.68 C ATOM 1581 CG1 ILE A 106 25.244 -2.413 15.311 1.00 6.68 C ATOM 1582 CG2 ILE A 106 26.070 -3.836 13.362 1.00 6.38 C ATOM 1583 CD1 ILE A 106 25.194 -1.051 14.604 1.00 5.99 C ATOM 1584 HA ILE A 106 27.381 -5.146 15.332 1.00 0.00 H ATOM 1585 HB ILE A 106 27.265 -2.770 14.777 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.281 -2.905 15.173 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.413 -2.240 16.374 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.145 -0.536 14.742 1.00 0.00 H ATOM 1589 HD12 ILE A 106 25.012 -1.202 13.540 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.390 -0.451 15.030 1.00 0.00 H ATOM 1591 HG21 ILE A 106 26.918 -4.423 13.008 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.171 -4.452 13.354 1.00 0.00 H ATOM 1593 HG23 ILE A 106 25.927 -2.974 12.711 1.00 0.00 H ATOM 1594 H ILE A 106 24.430 -5.109 15.747 1.00 0.00 H ATOM 1595 N ILE A 107 28.178 -3.761 17.339 1.00 4.55 N ATOM 1596 CA ILE A 107 28.640 -3.156 18.580 1.00 4.65 C ATOM 1597 C ILE A 107 29.324 -1.841 18.211 1.00 5.37 C ATOM 1598 O ILE A 107 30.287 -1.837 17.447 1.00 5.99 O ATOM 1599 CB ILE A 107 29.615 -4.079 19.369 1.00 4.58 C ATOM 1600 CG1 ILE A 107 28.938 -5.422 19.700 1.00 4.01 C ATOM 1601 CG2 ILE A 107 30.118 -3.347 20.625 1.00 5.01 C ATOM 1602 CD1 ILE A 107 29.833 -6.434 20.400 1.00 5.91 C ATOM 1603 HA ILE A 107 27.789 -2.990 19.241 1.00 0.00 H ATOM 1604 HB ILE A 107 30.483 -4.310 18.752 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.084 -5.221 20.346 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.590 -5.865 18.767 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.689 -6.662 19.764 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.182 -6.017 21.345 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.268 -7.346 20.591 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.640 -2.437 20.329 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.269 -3.090 21.259 1.00 0.00 H ATOM 1612 HG23 ILE A 107 30.800 -3.997 21.174 1.00 0.00 H ATOM 1613 H ILE A 107 28.866 -3.946 16.582 1.00 0.00 H ATOM 1614 N VAL A 108 28.803 -0.735 18.740 1.00 5.32 N ATOM 1615 CA VAL A 108 29.360 0.604 18.473 1.00 5.77 C ATOM 1616 C VAL A 108 29.730 1.312 19.771 1.00 5.57 C ATOM 1617 O VAL A 108 29.173 1.023 20.816 1.00 5.97 O ATOM 1618 CB VAL A 108 28.372 1.502 17.667 1.00 5.96 C ATOM 1619 CG1 VAL A 108 28.139 0.931 16.266 1.00 7.21 C ATOM 1620 CG2 VAL A 108 27.038 1.688 18.418 1.00 6.50 C ATOM 1621 HA VAL A 108 30.256 0.450 17.872 1.00 0.00 H ATOM 1622 HB VAL A 108 28.828 2.486 17.562 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.088 0.884 15.732 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.717 -0.071 16.349 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.447 1.575 15.723 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.572 0.715 18.575 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.228 2.161 19.382 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.375 2.319 17.827 1.00 0.00 H ATOM 1629 H VAL A 108 27.975 -0.819 19.363 1.00 0.00 H ATOM 1630 N ALA A 109 30.687 2.233 19.690 1.00 5.44 N ATOM 1631 CA ALA A 109 31.036 3.089 20.819 1.00 5.70 C ATOM 1632 C ALA A 109 30.301 4.409 20.642 1.00 5.73 C ATOM 1633 O ALA A 109 30.258 4.958 19.535 1.00 6.25 O ATOM 1634 CB ALA A 109 32.529 3.326 20.860 1.00 6.06 C ATOM 1635 HA ALA A 109 30.748 2.613 21.757 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.044 2.371 20.965 1.00 0.00 H ATOM 1637 HB2 ALA A 109 32.844 3.811 19.936 1.00 0.00 H ATOM 1638 HB3 ALA A 109 32.771 3.966 21.708 1.00 0.00 H ATOM 1639 H ALA A 109 31.202 2.346 18.794 1.00 0.00 H ATOM 1640 N CYS A 110 29.710 4.902 21.724 1.00 5.47 N ATOM 1641 CA CYS A 110 28.949 6.142 21.673 1.00 5.86 C ATOM 1642 C CYS A 110 29.549 7.197 22.582 1.00 5.56 C ATOM 1643 O CYS A 110 30.068 6.884 23.660 1.00 5.43 O ATOM 1644 CB CYS A 110 27.499 5.875 22.066 1.00 6.80 C ATOM 1645 SG CYS A 110 26.692 4.628 21.024 1.00 7.41 S ATOM 1646 HA CYS A 110 28.985 6.521 20.652 1.00 0.00 H ATOM 1647 HB2 CYS A 110 26.941 6.808 21.985 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.478 5.529 23.099 1.00 0.00 H ATOM 1649 H CYS A 110 29.792 4.392 22.626 1.00 0.00 H ATOM 1650 N GLU A 111 29.465 8.449 22.135 1.00 4.79 N ATOM 1651 CA GLU A 111 29.977 9.594 22.882 1.00 5.18 C ATOM 1652 C GLU A 111 29.149 10.818 22.586 1.00 5.08 C ATOM 1653 O GLU A 111 28.466 10.887 21.562 1.00 5.27 O ATOM 1654 CB GLU A 111 31.406 9.925 22.471 1.00 4.74 C ATOM 1655 CG GLU A 111 32.419 8.839 22.823 1.00 7.15 C ATOM 1656 CD GLU A 111 33.846 9.251 22.570 1.00 10.78 C ATOM 1657 OE1 GLU A 111 34.079 10.134 21.719 1.00 12.82 O ATOM 1658 OE2 GLU A 111 34.746 8.667 23.217 1.00 12.36 O ATOM 1659 HA GLU A 111 29.936 9.329 23.939 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.426 10.077 21.392 1.00 0.00 H ATOM 1661 HB3 GLU A 111 31.703 10.847 22.972 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.311 8.594 23.880 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.202 7.955 22.223 1.00 0.00 H ATOM 1664 H GLU A 111 29.015 8.618 21.213 1.00 0.00 H ATOM 1665 N GLY A 112 29.246 11.788 23.486 1.00 4.70 N ATOM 1666 CA GLY A 112 28.780 13.148 23.229 1.00 5.23 C ATOM 1667 C GLY A 112 27.394 13.483 23.731 1.00 6.31 C ATOM 1668 O GLY A 112 26.705 12.648 24.317 1.00 6.15 O ATOM 1669 HA3 GLY A 112 28.791 13.306 22.151 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.481 13.835 23.702 1.00 0.00 H ATOM 1671 H GLY A 112 29.670 11.571 24.410 1.00 0.00 H ATOM 1672 N ASN A 113 27.003 14.733 23.497 1.00 6.92 N ATOM 1673 CA ASN A 113 25.630 15.179 23.684 1.00 8.33 C ATOM 1674 C ASN A 113 25.205 15.911 22.411 1.00 8.50 C ATOM 1675 O ASN A 113 25.670 17.032 22.163 1.00 9.08 O ATOM 1676 CB ASN A 113 25.510 16.084 24.911 1.00 8.44 C ATOM 1677 CG ASN A 113 24.059 16.358 25.310 1.00 9.53 C ATOM 1678 OD1 ASN A 113 23.116 15.905 24.659 1.00 10.70 O ATOM 1679 ND2 ASN A 113 23.884 17.101 26.391 1.00 12.70 N ATOM 1680 HA ASN A 113 24.975 14.326 23.861 1.00 0.00 H ATOM 1681 HB2 ASN A 113 26.016 15.604 25.748 1.00 0.00 H ATOM 1682 HB3 ASN A 113 25.996 17.035 24.691 1.00 0.00 H ATOM 1683 HD22 ASN A 113 24.708 17.464 26.912 1.00 0.00 H ATOM 1684 HD21 ASN A 113 22.922 17.322 26.720 1.00 0.00 H ATOM 1685 H ASN A 113 27.709 15.421 23.166 1.00 0.00 H ATOM 1686 N PRO A 114 24.333 15.282 21.596 1.00 8.80 N ATOM 1687 CA PRO A 114 23.636 14.012 21.847 1.00 8.54 C ATOM 1688 C PRO A 114 24.565 12.797 21.838 1.00 8.34 C ATOM 1689 O PRO A 114 25.649 12.849 21.262 1.00 8.22 O ATOM 1690 CB PRO A 114 22.659 13.917 20.677 1.00 9.10 C ATOM 1691 CG PRO A 114 23.331 14.662 19.583 1.00 9.49 C ATOM 1692 CD PRO A 114 23.989 15.825 20.268 1.00 8.82 C ATOM 1693 HA PRO A 114 23.174 14.004 22.834 1.00 0.00 H ATOM 1694 HD3 PRO A 114 24.883 16.141 19.731 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.303 16.667 20.355 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.603 15.008 18.849 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.073 14.035 19.089 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.494 12.878 20.393 1.00 0.00 H ATOM 1699 HB3 PRO A 114 21.705 14.379 20.931 1.00 0.00 H ATOM 1700 N TYR A 115 24.117 11.722 22.477 1.00 7.64 N ATOM 1701 CA TYR A 115 24.889 10.487 22.592 1.00 7.17 C ATOM 1702 C TYR A 115 24.720 9.665 21.326 1.00 7.08 C ATOM 1703 O TYR A 115 23.658 9.079 21.084 1.00 7.48 O ATOM 1704 CB TYR A 115 24.401 9.711 23.804 1.00 6.86 C ATOM 1705 CG TYR A 115 25.385 8.737 24.417 1.00 6.52 C ATOM 1706 CD1 TYR A 115 26.650 9.155 24.846 1.00 6.49 C ATOM 1707 CD2 TYR A 115 25.028 7.405 24.619 1.00 5.45 C ATOM 1708 CE1 TYR A 115 27.538 8.254 25.438 1.00 6.45 C ATOM 1709 CE2 TYR A 115 25.892 6.510 25.219 1.00 5.71 C ATOM 1710 CZ TYR A 115 27.146 6.935 25.628 1.00 6.93 C ATOM 1711 OH TYR A 115 28.016 6.051 26.233 1.00 7.63 O ATOM 1712 HA TYR A 115 25.947 10.715 22.718 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.518 9.147 23.504 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.126 10.433 24.572 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.045 7.062 24.296 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.589 5.474 25.370 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.530 8.583 25.748 1.00 0.00 H ATOM 1718 HD1 TYR A 115 26.946 10.196 24.717 1.00 0.00 H ATOM 1719 HH TYR A 115 27.603 5.698 27.060 1.00 0.00 H ATOM 1720 H TYR A 115 23.175 11.761 22.915 1.00 0.00 H ATOM 1721 N VAL A 116 25.770 9.641 20.510 1.00 6.45 N ATOM 1722 CA VAL A 116 25.695 9.065 19.164 1.00 6.58 C ATOM 1723 C VAL A 116 26.884 8.150 18.861 1.00 6.67 C ATOM 1724 O VAL A 116 27.911 8.219 19.549 1.00 6.08 O ATOM 1725 CB VAL A 116 25.604 10.184 18.082 1.00 6.71 C ATOM 1726 CG1 VAL A 116 24.268 10.935 18.184 1.00 7.93 C ATOM 1727 CG2 VAL A 116 26.773 11.141 18.213 1.00 7.43 C ATOM 1728 HA VAL A 116 24.788 8.461 19.133 1.00 0.00 H ATOM 1729 HB VAL A 116 25.651 9.717 17.098 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.446 10.234 18.035 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.184 11.392 19.170 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.229 11.710 17.419 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.756 11.600 19.202 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.706 10.593 18.081 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.694 11.916 17.450 1.00 0.00 H ATOM 1736 H VAL A 116 26.672 10.043 20.837 1.00 0.00 H ATOM 1737 N PRO A 117 26.738 7.257 17.862 1.00 6.30 N ATOM 1738 CA PRO A 117 27.873 6.393 17.537 1.00 6.33 C ATOM 1739 C PRO A 117 29.053 7.178 16.984 1.00 6.15 C ATOM 1740 O PRO A 117 28.878 8.069 16.147 1.00 6.54 O ATOM 1741 CB PRO A 117 27.303 5.430 16.478 1.00 6.73 C ATOM 1742 CG PRO A 117 25.819 5.498 16.657 1.00 6.91 C ATOM 1743 CD PRO A 117 25.551 6.924 17.049 1.00 6.73 C ATOM 1744 HA PRO A 117 28.266 5.882 18.416 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.480 7.568 16.172 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.635 7.007 17.635 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.494 4.815 17.442 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.307 5.251 15.727 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.584 5.752 15.475 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.664 4.416 16.647 1.00 0.00 H ATOM 1751 N VAL A 118 30.244 6.843 17.474 1.00 6.07 N ATOM 1752 CA VAL A 118 31.480 7.460 16.985 1.00 6.45 C ATOM 1753 C VAL A 118 32.527 6.424 16.522 1.00 6.59 C ATOM 1754 O VAL A 118 33.509 6.780 15.888 1.00 7.17 O ATOM 1755 CB VAL A 118 32.106 8.454 18.014 1.00 6.90 C ATOM 1756 CG1 VAL A 118 31.169 9.618 18.295 1.00 6.45 C ATOM 1757 CG2 VAL A 118 32.459 7.741 19.312 1.00 7.28 C ATOM 1758 HA VAL A 118 31.182 8.036 16.109 1.00 0.00 H ATOM 1759 HB VAL A 118 33.021 8.849 17.573 1.00 0.00 H ATOM 1760 HG11 VAL A 118 30.971 10.156 17.368 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.232 9.238 18.703 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.634 10.292 19.015 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.557 7.309 19.745 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.179 6.949 19.106 1.00 0.00 H ATOM 1765 HG23 VAL A 118 32.893 8.456 20.011 1.00 0.00 H ATOM 1766 H VAL A 118 30.299 6.124 18.224 1.00 0.00 H ATOM 1767 N HIS A 119 32.306 5.149 16.838 1.00 6.05 N ATOM 1768 CA HIS A 119 33.271 4.086 16.503 1.00 6.14 C ATOM 1769 C HIS A 119 32.489 2.809 16.238 1.00 6.15 C ATOM 1770 O HIS A 119 31.519 2.510 16.947 1.00 7.06 O ATOM 1771 CB HIS A 119 34.204 3.838 17.698 1.00 7.25 C ATOM 1772 CG HIS A 119 35.014 5.014 18.139 1.00 5.73 C ATOM 1773 ND1 HIS A 119 35.689 5.844 17.270 1.00 6.25 N ATOM 1774 CD2 HIS A 119 35.306 5.455 19.386 1.00 6.82 C ATOM 1775 CE1 HIS A 119 36.326 6.773 17.964 1.00 6.08 C ATOM 1776 NE2 HIS A 119 36.120 6.550 19.250 1.00 6.38 N ATOM 1777 HA HIS A 119 33.859 4.379 15.633 1.00 0.00 H ATOM 1778 HB2 HIS A 119 33.592 3.517 18.541 1.00 0.00 H ATOM 1779 HB3 HIS A 119 34.893 3.039 17.426 1.00 0.00 H ATOM 1780 HD2 HIS A 119 34.959 5.020 20.323 1.00 0.00 H ATOM 1781 HE1 HIS A 119 36.920 7.585 17.546 1.00 0.00 H ATOM 1782 H HIS A 119 31.428 4.896 17.335 1.00 0.00 H ATOM 1783 N PHE A 120 32.909 2.045 15.231 1.00 5.45 N ATOM 1784 CA PHE A 120 32.349 0.717 15.026 1.00 5.22 C ATOM 1785 C PHE A 120 33.308 -0.280 15.661 1.00 5.31 C ATOM 1786 O PHE A 120 34.454 -0.389 15.229 1.00 5.22 O ATOM 1787 CB PHE A 120 32.175 0.419 13.535 1.00 5.25 C ATOM 1788 CG PHE A 120 31.382 -0.820 13.273 1.00 4.47 C ATOM 1789 CD1 PHE A 120 30.025 -0.742 12.977 1.00 5.28 C ATOM 1790 CD2 PHE A 120 31.985 -2.075 13.365 1.00 4.81 C ATOM 1791 CE1 PHE A 120 29.280 -1.897 12.760 1.00 5.59 C ATOM 1792 CE2 PHE A 120 31.245 -3.231 13.149 1.00 5.34 C ATOM 1793 CZ PHE A 120 29.892 -3.137 12.843 1.00 5.79 C ATOM 1794 HA PHE A 120 31.361 0.648 15.482 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.665 1.262 13.070 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.162 0.301 13.087 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.045 -2.149 13.608 1.00 0.00 H ATOM 1798 HE2 PHE A 120 31.723 -4.208 13.219 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.311 -4.042 12.668 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.218 -1.826 12.525 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.541 0.233 12.914 1.00 0.00 H ATOM 1802 H PHE A 120 33.643 2.400 14.586 1.00 0.00 H ATOM 1803 N ASP A 121 32.849 -1.008 16.679 1.00 5.11 N ATOM 1804 CA ASP A 121 33.755 -1.880 17.432 1.00 5.17 C ATOM 1805 C ASP A 121 33.840 -3.308 16.904 1.00 5.23 C ATOM 1806 O ASP A 121 34.934 -3.875 16.790 1.00 5.87 O ATOM 1807 CB ASP A 121 33.399 -1.887 18.927 1.00 5.11 C ATOM 1808 CG ASP A 121 34.606 -2.168 19.812 1.00 5.65 C ATOM 1809 OD1 ASP A 121 35.677 -1.532 19.608 1.00 6.84 O ATOM 1810 OD2 ASP A 121 34.488 -3.031 20.705 1.00 4.58 O ATOM 1811 HA ASP A 121 34.746 -1.448 17.291 1.00 0.00 H ATOM 1812 HB2 ASP A 121 32.989 -0.913 19.194 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.648 -2.657 19.104 1.00 0.00 H ATOM 1814 H ASP A 121 31.844 -0.957 16.940 1.00 0.00 H ATOM 1815 N ALA A 122 32.684 -3.891 16.598 1.00 5.41 N ATOM 1816 CA ALA A 122 32.610 -5.311 16.247 1.00 6.04 C ATOM 1817 C ALA A 122 31.220 -5.671 15.780 1.00 6.55 C ATOM 1818 O ALA A 122 30.283 -4.893 15.928 1.00 6.39 O ATOM 1819 CB ALA A 122 32.969 -6.178 17.458 1.00 6.34 C ATOM 1820 HA ALA A 122 33.321 -5.496 15.441 1.00 0.00 H ATOM 1821 HB1 ALA A 122 33.983 -5.944 17.783 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.270 -5.975 18.269 1.00 0.00 H ATOM 1823 HB3 ALA A 122 32.909 -7.230 17.180 1.00 0.00 H ATOM 1824 H ALA A 122 31.812 -3.325 16.608 1.00 0.00 H ATOM 1825 N SER A 123 31.097 -6.865 15.217 1.00 7.10 N ATOM 1826 CA SER A 123 29.788 -7.468 15.007 1.00 7.60 C ATOM 1827 C SER A 123 29.838 -8.873 15.576 1.00 8.16 C ATOM 1828 O SER A 123 30.889 -9.519 15.551 1.00 8.63 O ATOM 1829 CB SER A 123 29.412 -7.499 13.530 1.00 8.26 C ATOM 1830 OG SER A 123 30.322 -8.293 12.796 1.00 8.85 O ATOM 1831 HA SER A 123 29.024 -6.874 15.508 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.426 -6.483 13.136 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.410 -7.914 13.425 1.00 0.00 H ATOM 1834 HG SER A 123 31.233 -7.917 12.886 1.00 0.00 H ATOM 1835 H SER A 123 31.950 -7.380 14.920 1.00 0.00 H ATOM 1836 N VAL A 124 28.706 -9.336 16.096 1.00 8.34 N ATOM 1837 CA VAL A 124 28.629 -10.655 16.721 1.00 8.79 C ATOM 1838 C VAL A 124 27.343 -11.374 16.335 1.00 9.10 C ATOM 1839 O VAL A 124 26.381 -10.761 15.874 1.00 9.50 O ATOM 1840 CB VAL A 124 28.753 -10.598 18.275 1.00 8.58 C ATOM 1841 CG1 VAL A 124 30.126 -10.089 18.697 1.00 9.32 C ATOM 1842 CG2 VAL A 124 27.645 -9.753 18.891 1.00 9.05 C ATOM 1843 HA VAL A 124 29.484 -11.215 16.343 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.242 -12.589 16.491 1.00 9.77 O ATOM 1845 HB VAL A 124 28.641 -11.615 18.651 1.00 0.00 H ATOM 1846 HG11 VAL A 124 30.895 -10.757 18.309 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.279 -9.087 18.297 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.183 -10.060 19.785 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.705 -8.737 18.501 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.677 -10.184 18.636 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.763 -9.736 19.974 1.00 0.00 H ATOM 1852 H VAL A 124 27.852 -8.744 16.057 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 30.976 7.663 26.189 1.00 11.42 O HETATM 1855 O HOH 2 34.811 -5.501 -3.299 1.00 20.24 O HETATM 1856 O HOH 3 37.447 -0.551 21.365 1.00 11.57 O HETATM 1857 O HOH 4 32.035 -7.035 25.093 1.00 10.38 O HETATM 1858 O HOH 5 32.970 -5.001 21.951 1.00 9.43 O HETATM 1859 O HOH 6 34.331 8.790 14.326 1.00 25.17 O HETATM 1860 O HOH 7 25.057 10.647 13.947 1.00 19.42 O HETATM 1861 O HOH 8 17.836 0.071 16.689 1.00 17.80 O HETATM 1862 O HOH 9 34.168 5.858 12.590 1.00 17.38 O HETATM 1863 O HOH 10 27.245 8.947 14.078 1.00 12.34 O HETATM 1864 O HOH 11 40.724 -0.741 9.723 1.00 25.54 O HETATM 1865 O HOH 12 27.140 14.382 19.630 1.00 20.17 O HETATM 1866 O HOH 13 16.641 0.386 9.475 1.00 18.27 O HETATM 1867 O HOH 14 34.715 5.938 22.332 1.00 17.01 O HETATM 1868 O HOH 15 35.180 3.107 13.768 1.00 15.23 O HETATM 1869 O HOH 16 34.806 -9.527 3.829 1.00 22.81 O HETATM 1870 O HOH 17 30.675 14.016 17.211 1.00 20.57 O HETATM 1871 O HOH 18 18.351 -0.939 26.745 1.00 21.15 O HETATM 1872 O HOH 19 35.557 3.601 23.266 1.00 16.85 O HETATM 1873 O HOH 20 22.190 8.148 19.089 1.00 25.06 O HETATM 1874 O HOH 21 26.818 13.408 11.204 1.00 44.86 O HETATM 1875 O HOH 22 29.005 -3.399 -9.125 1.00 31.48 O HETATM 1876 O HOH 23 20.322 6.161 21.353 1.00 29.07 O HETATM 1877 O HOH 24 17.300 6.943 17.129 1.00 23.65 O HETATM 1878 O HOH 25 30.088 6.801 -1.120 1.00 29.08 O HETATM 1879 O HOH 26 25.109 0.609 31.534 1.00 19.75 O HETATM 1880 O HOH 27 21.422 16.932 22.620 1.00 55.39 O HETATM 1881 O HOH 28 29.481 12.206 7.202 1.00 21.72 O HETATM 1882 O HOH 29 17.049 8.008 10.035 1.00 22.47 O HETATM 1883 O HOH 30 30.047 4.248 29.731 1.00 23.65 O HETATM 1884 O HOH 31 22.254 -8.529 21.164 1.00 24.94 O HETATM 1885 O HOH 32 46.708 -1.581 4.290 1.00 25.21 O HETATM 1886 O HOH 33 33.710 15.376 17.097 1.00 33.99 O HETATM 1887 O HOH 34 28.990 -14.409 17.548 1.00 29.76 O HETATM 1888 O HOH 35 39.731 6.888 -1.007 1.00 30.45 O HETATM 1889 O HOH 36 21.495 8.347 22.587 1.00 30.72 O HETATM 1890 O HOH 37 39.229 0.492 -3.218 1.00 22.29 O HETATM 1891 O HOH 38 29.540 12.777 19.538 1.00 18.78 O HETATM 1892 O HOH 39 29.297 16.767 23.020 1.00 29.26 O HETATM 1893 O HOH 40 23.083 -8.320 -6.037 1.00 56.48 O HETATM 1894 O HOH 41 40.481 1.139 28.491 1.00 24.73 O HETATM 1895 O HOH 42 32.180 4.398 33.239 1.00 30.08 O HETATM 1896 O HOH 43 17.794 -6.050 9.077 1.00 36.41 O HETATM 1897 O HOH 44 18.143 -3.443 17.869 1.00 27.38 O HETATM 1898 O HOH 45 18.342 1.115 5.260 1.00 38.50 O HETATM 1899 O HOH 46 38.089 -7.510 -4.857 1.00 32.39 O HETATM 1900 O HOH 47 33.289 -10.044 16.529 1.00 28.68 O HETATM 1901 O HOH 48 22.915 -10.882 4.723 1.00 37.71 O HETATM 1902 O HOH 49 33.855 -7.871 14.420 1.00 23.05 O HETATM 1903 O HOH 50 24.599 -13.474 8.389 1.00 35.31 O HETATM 1904 O HOH 51 22.249 6.829 7.240 1.00 27.23 O HETATM 1905 O HOH 52 34.155 -9.122 -3.133 1.00 29.21 O HETATM 1906 O HOH 53 37.395 -2.823 16.447 1.00 25.52 O HETATM 1907 O HOH 54 21.009 -5.872 -2.994 1.00 41.18 O HETATM 1908 O HOH 55 30.420 17.438 10.587 1.00 30.62 O HETATM 1909 O HOH 56 19.236 -8.231 9.851 1.00 33.25 O HETATM 1910 O HOH 57 37.692 1.241 -6.802 1.00 38.89 O HETATM 1911 O HOH 58 18.321 9.366 16.863 1.00 35.18 O HETATM 1912 O HOH 59 26.675 -14.339 14.183 1.00 37.87 O HETATM 1913 O HOH 60 33.342 21.251 7.237 1.00 44.71 O HETATM 1914 O HOH 61 37.057 12.427 3.903 1.00 40.90 O HETATM 1915 O HOH 62 16.628 -7.887 12.334 1.00 33.07 O HETATM 1916 O HOH 63 24.297 -12.478 15.321 1.00 32.25 O HETATM 1917 O HOH 64 30.180 -10.238 -2.357 1.00 30.07 O HETATM 1918 O HOH 65 19.913 -12.854 17.243 1.00 32.62 O HETATM 1919 O HOH 66 27.565 -14.245 5.292 1.00 32.93 O HETATM 1920 O HOH 67 43.269 -8.270 -5.093 1.00 45.47 O HETATM 1921 O HOH 68 24.759 -4.945 29.788 1.00 31.01 O HETATM 1922 O HOH 69 23.061 -10.485 0.262 1.00 28.80 O HETATM 1923 O HOH 70 23.959 6.023 4.629 1.00 16.70 O HETATM 1924 O HOH 71 24.502 8.257 7.857 1.00 29.23 O HETATM 1925 O HOH 72 35.481 -4.153 -8.083 1.00 33.14 O HETATM 1926 O HOH 73 34.195 11.427 19.727 1.00 43.55 O HETATM 1927 O HOH 74 43.827 4.782 -3.414 1.00 33.71 O HETATM 1928 O HOH 75 30.256 -1.505 29.712 1.00 44.93 O HETATM 1929 O HOH 76 26.547 -2.651 -5.268 1.00 42.57 O HETATM 1930 O HOH 77 23.871 -13.611 13.075 1.00 32.72 O HETATM 1931 O HOH 78 27.797 -6.354 29.583 1.00 24.26 O HETATM 1932 O HOH 79 25.864 -10.360 -1.398 1.00 45.50 O HETATM 1933 O HOH 80 41.245 2.227 -3.789 1.00 38.93 O HETATM 1934 O HOH 81 43.441 -0.490 24.790 1.00 39.50 O HETATM 1935 O HOH 82 18.653 -2.713 -1.857 1.00 46.10 O HETATM 1936 O HOH 83 21.314 12.801 13.212 1.00 25.72 O HETATM 1937 O HOH 84 42.948 5.173 4.457 1.00 26.21 O HETATM 1938 O HOH 85 16.625 -1.216 2.716 1.00 53.36 O HETATM 1939 O HOH 86 17.154 2.651 21.680 1.00 30.17 O HETATM 1940 O HOH 87 45.540 -5.531 5.224 1.00 30.94 O HETATM 1941 O HOH 88 34.647 4.563 -5.952 1.00 35.42 O HETATM 1942 O HOH 89 18.404 10.519 12.839 1.00 37.99 O HETATM 1943 O HOH 90 21.915 1.635 27.274 1.00 29.81 O HETATM 1944 O HOH 91 40.647 -1.764 -6.644 1.00 33.50 O HETATM 1945 O HOH 92 31.700 -6.646 11.436 1.00 23.68 O HETATM 1946 O HOH 93 16.068 -3.534 11.003 1.00 37.17 O HETATM 1947 O HOH 94 37.038 12.880 15.010 1.00 45.66 O HETATM 1948 O HOH 95 45.823 -4.195 -5.951 1.00 31.12 O HETATM 1949 O HOH 96 31.944 13.899 6.799 1.00 27.39 O HETATM 1950 O HOH 97 27.742 18.699 23.694 1.00 33.40 O HETATM 1951 O HOH 98 29.251 1.225 -4.807 1.00 47.86 O HETATM 1952 O HOH 99 27.869 15.917 13.579 1.00 36.31 O HETATM 1953 O HOH 100 42.698 -2.091 10.715 1.00 39.55 O HETATM 1954 O HOH 101 27.958 -3.264 31.012 1.00 48.55 O HETATM 1955 O HOH 102 44.862 -11.879 -2.279 1.00 41.19 O HETATM 1956 O HOH 103 23.036 4.388 26.976 1.00 28.27 O HETATM 1957 O HOH 104 47.932 0.237 2.340 1.00 21.51 O HETATM 1958 O HOH 105 43.350 -11.486 -4.412 1.00 40.77 O HETATM 1959 O HOH 106 20.217 9.979 18.767 1.00 34.21 O HETATM 1960 O HOH 107 28.819 15.783 16.315 1.00 28.17 O HETATM 1961 O HOH 108 48.663 -1.893 0.354 1.00 32.56 O HETATM 1962 O HOH 109 30.622 4.185 -4.251 1.00 36.98 O HETATM 1963 O HOH 110 17.330 -10.103 15.266 1.00 28.50 O HETATM 1964 O HOH 111 36.479 10.275 15.553 1.00 33.07 O HETATM 1965 O HOH 112 22.241 13.679 15.798 1.00 30.47 O HETATM 1966 O HOH 113 24.893 13.083 15.140 1.00 21.81 O HETATM 1967 O HOH 114 26.375 14.698 16.989 1.00 26.28 O HETATM 1968 O HOH 115 17.555 4.854 3.503 1.00 30.88 O HETATM 1969 O HOH 116 17.023 3.425 5.763 1.00 37.40 O HETATM 1970 O HOH 117 20.773 12.661 17.978 1.00 40.90 O HETATM 1971 O HOH 118 24.204 16.810 16.693 1.00 28.67 O HETATM 1972 O HOH 119 23.583 1.731 29.554 1.00 24.05 O HETATM 1973 O HOH 120 28.804 -9.505 22.795 1.00 16.42 O HETATM 1974 O HOH 121 29.017 -12.137 21.860 1.00 19.20 O HETATM 1975 O HOH 122 33.824 -9.430 19.117 1.00 22.78 O HETATM 1976 O HOH 123 33.320 -7.646 21.210 1.00 11.35 O HETATM 1977 O HOH 124 40.670 -6.555 22.781 1.00 23.42 O HETATM 1978 O HOH 125 39.973 -7.973 20.655 1.00 32.06 O HETATM 1979 O HOH 126 36.291 2.059 21.246 1.00 16.90 O HETATM 1980 O HOH 127 39.743 -0.933 19.922 1.00 28.85 O HETATM 1981 O HOH 128 34.694 -1.838 33.678 1.00 24.42 O HETATM 1982 O HOH 129 34.952 4.825 33.637 1.00 30.76 O HETATM 1983 O HOH 130 36.403 0.193 33.762 1.00 30.92 O HETATM 1984 O HOH 131 37.480 1.146 31.437 1.00 31.62 O HETATM 1985 O HOH 132 35.543 5.839 26.144 1.00 22.59 O HETATM 1986 O HOH 133 44.724 5.145 -8.290 1.00 30.79 O HETATM 1987 O HOH 134 36.576 -9.946 -4.057 1.00 35.29 O HETATM 1988 O HOH 135 21.616 -12.310 26.437 1.00 38.74 O HETATM 1989 O HOH 136 21.677 -9.649 27.592 1.00 21.81 O HETATM 1990 O HOH 137 32.289 -16.752 19.158 1.00 36.73 O HETATM 1991 O HOH 138 31.582 -13.843 18.014 1.00 32.28 O HETATM 1992 O HOH 139 21.610 12.179 23.894 1.00 27.84 O HETATM 1993 O HOH 140 14.222 4.689 10.955 1.00 30.44 O HETATM 1994 O HOH 141 34.107 18.027 6.808 1.00 41.88 O HETATM 1995 O HOH 142 31.417 16.317 7.800 1.00 36.42 O HETATM 1996 O HOH 143 25.549 14.708 13.114 1.00 41.76 O HETATM 1997 O HOH 144 27.619 17.443 11.281 1.00 42.00 O HETATM 1998 O HOH 145 36.162 13.053 19.153 1.00 34.34 O HETATM 1999 O HOH 146 28.723 -1.261 -5.772 1.00 40.31 O HETATM 2000 O HOH 147 35.388 2.519 -7.756 1.00 37.75 O HETATM 2001 O HOH 148 47.759 -1.656 6.807 1.00 38.32 O HETATM 2002 O HOH 149 44.979 -0.509 11.420 1.00 38.98 O HETATM 2003 O HOH 150 44.415 -6.039 9.416 1.00 46.89 O HETATM 2004 O HOH 151 23.299 13.042 10.897 1.00 29.79 O HETATM 2005 O HOH 152 32.594 -0.883 34.999 1.00 41.32 O HETATM 2006 O HOH 153 38.222 3.687 20.241 1.00 35.24 O HETATM 2007 O HOH 154 25.448 -11.599 22.003 1.00 38.63 O HETATM 2008 O HOH 155 31.285 -3.618 30.850 1.00 29.56 O HETATM 2009 O HOH 156 31.260 22.361 10.475 1.00 37.97 O HETATM 2010 O HOH 157 42.151 7.558 3.440 1.00 31.56 O HETATM 2011 O HOH 158 43.093 1.835 12.055 1.00 33.63 O HETATM 2012 O HOH 159 28.547 16.016 21.012 1.00 29.87 O HETATM 2013 O HOH 160 40.257 12.115 12.502 1.00 47.58 O HETATM 2014 O HOH 161 17.467 -2.102 12.795 1.00 39.27 O HETATM 2015 O HOH 162 20.662 -2.516 27.925 1.00129.22 O HETATM 2016 O HOH 163 30.375 20.342 8.381 1.00 45.99 O HETATM 2017 O HOH 164 48.742 -7.196 -6.745 1.00 39.88 O HETATM 2018 O HOH 165 25.241 -13.371 18.224 1.00 40.03 O HETATM 2019 O HOH 166 14.045 -7.489 15.849 1.00 28.60 O HETATM 2020 O HOH 167 18.557 -3.257 5.234 1.00 39.81 O HETATM 2021 O HOH 168 38.876 18.805 12.344 1.00 51.11 O HETATM 2022 O HOH 169 21.039 -1.851 -3.859 1.00 45.35 O HETATM 2023 O HOH 170 47.893 3.389 11.545 1.00 36.21 O HETATM 2024 O HOH 171 37.385 5.580 24.319 1.00 74.31 O HETATM 2025 O HOH 172 42.685 -13.520 -2.275 1.00 59.80 O HETATM 2026 O HOH 173 46.236 -3.284 14.324 1.00 38.19 O HETATM 2027 O HOH 174 47.055 5.257 9.789 1.00 30.16 O HETATM 2028 O HOH 175 49.565 2.742 8.947 1.00 32.32 O HETATM 2029 O HOH 176 48.903 4.926 7.706 1.00 27.91 O HETATM 2030 O HOH 177 52.033 2.064 10.431 1.00 38.22 O HETATM 2031 O HOH 178 50.976 0.904 12.529 1.00 38.66 O HETATM 2032 O HOH 179 37.217 -7.978 12.167 1.00 47.97 O HETATM 2033 O HOH 180 39.500 -5.235 13.332 1.00 46.89 O HETATM 2034 O HOH 181 38.935 -4.857 15.837 1.00 33.94 O HETATM 2035 C4 U A 4 34.788 -4.592 12.466 1.00 0.18 C HETATM 2036 C5 U A 4 35.971 -4.496 13.188 1.00 0.01 C HETATM 2037 C6 U A 4 36.771 -3.364 13.040 1.00 0.06 C HETATM 2038 N1 U A 4 36.391 -2.305 12.184 1.00 -0.16 N HETATM 2039 C1' U A 4 37.263 -1.093 12.012 1.00 0.21 C HETATM 2040 O4' U A 4 38.566 -1.353 12.599 1.00 -0.33 O HETATM 2041 C4' U A 4 38.462 -0.761 13.931 1.00 0.13 C HETATM 2042 C5' U A 4 39.751 -0.622 14.761 1.00 -0.00 C HETATM 2043 NAT U A 4 40.737 -1.658 14.432 1.00 0.24 N HETATM 2044 CAJ U A 4 41.821 -1.033 13.649 1.00 -0.03 C HETATM 2045 CAH U A 4 43.105 -1.643 14.199 1.00 -0.01 C HETATM 2046 CAG U A 4 42.803 -1.682 15.686 1.00 -0.01 C HETATM 2047 CAI U A 4 41.337 -2.122 15.704 1.00 -0.03 C HETATM 2048 H14 U A 4 40.815 -1.666 16.558 1.00 0.08 H HETATM 2049 H15 U A 4 41.271 -3.218 15.777 1.00 0.08 H HETATM 2050 H16 U A 4 43.445 -2.409 16.205 1.00 0.03 H HETATM 2051 H17 U A 4 42.928 -0.690 16.145 1.00 0.03 H HETATM 2052 H18 U A 4 43.977 -1.009 13.982 1.00 0.03 H HETATM 2053 H19 U A 4 43.276 -2.652 13.796 1.00 0.03 H HETATM 2054 H4 U A 4 41.709 -1.265 12.580 1.00 0.08 H HETATM 2055 H5 U A 4 41.820 0.058 13.789 1.00 0.08 H HETATM 2056 H20 U A 4 40.311 -2.419 13.926 1.00 0.20 H HETATM 2057 H6 U A 4 39.496 -0.702 15.828 1.00 0.08 H HETATM 2058 H7 U A 4 40.195 0.365 14.563 1.00 0.08 H HETATM 2059 C3' U A 4 37.934 0.598 13.564 1.00 0.12 C HETATM 2060 O3' U A 4 37.446 1.331 14.678 1.00 -0.39 O HETATM 2061 H10 U A 4 37.128 2.176 14.384 1.00 0.21 H HETATM 2062 C2' U A 4 36.775 0.218 12.676 1.00 0.14 C HETATM 2063 O2' U A 4 36.716 1.277 11.726 1.00 -0.38 O HETATM 2064 H12 U A 4 36.569 2.099 12.179 1.00 0.21 H HETATM 2065 H11 U A 4 35.825 0.087 13.214 1.00 0.07 H HETATM 2066 H9 U A 4 38.691 1.192 13.031 1.00 0.06 H HETATM 2067 H8 U A 4 37.734 -1.325 14.533 1.00 0.07 H HETATM 2068 H13 U A 4 37.370 -0.913 10.932 1.00 0.10 H HETATM 2069 C2 U A 4 35.202 -2.412 11.457 1.00 0.33 C HETATM 2070 N3 U A 4 34.407 -3.558 11.602 1.00 -0.19 N HETATM 2071 H3 U A 4 33.557 -3.638 11.082 1.00 0.23 H HETATM 2072 O2 U A 4 34.845 -1.511 10.703 1.00 -0.38 O HETATM 2073 H2 U A 4 37.706 -3.294 13.594 1.00 0.12 H HETATM 2074 H1 U A 4 36.270 -5.297 13.863 1.00 0.03 H HETATM 2075 O4 U A 4 34.070 -5.584 12.575 1.00 -0.41 O 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 2035 2036 2070 2075 CONECT 2036 2035 2037 2074 CONECT 2037 2036 2038 2073 CONECT 2038 2037 2039 2069 CONECT 2039 2038 2040 2062 2068 CONECT 2040 2039 2041 CONECT 2041 2040 2042 2059 2067 CONECT 2042 2041 2043 2057 2058 CONECT 2043 2042 2044 2047 2056 CONECT 2044 2043 2045 2054 2055 CONECT 2045 2044 2046 2052 2053 CONECT 2046 2045 2047 2050 2051 CONECT 2047 2043 2046 2048 2049 CONECT 2048 2047 CONECT 2049 2047 CONECT 2050 2046 CONECT 2051 2046 CONECT 2052 2045 CONECT 2053 2045 CONECT 2054 2044 CONECT 2055 2044 CONECT 2056 2043 CONECT 2057 2042 CONECT 2058 2042 CONECT 2059 2041 2060 2062 2066 CONECT 2060 2059 2061 CONECT 2061 2060 CONECT 2062 2039 2059 2063 2065 CONECT 2063 2062 2064 CONECT 2064 2063 CONECT 2065 2062 CONECT 2066 2059 CONECT 2067 2041 CONECT 2068 2039 CONECT 2069 2038 2070 2072 CONECT 2070 2035 2069 2071 CONECT 2071 2070 CONECT 2072 2069 CONECT 2073 2037 CONECT 2074 2036 CONECT 2075 2035 MASTER 0 0 0 0 0 0 0 0 2074 1 53 10 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 3d7b
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1afk
RCSB PDB
PDBbind
124aa, >1AFK_1|Chains... at 99%
1afl
RCSB PDB
PDBbind
124aa, >1AFL_1|Chains... at 99%
1dfj
RCSB PDB
PDBbind
124aa, >1DFJ_1|Chain... at 99%
1j7z
RCSB PDB
PDBbind
104aa, >1J7Z_2|Chain... at 99%
1j80
RCSB PDB
PDBbind
104aa, >1J80_2|Chain... at 99%
1j81
RCSB PDB
PDBbind
104aa, >1J81_2|Chain... at 99%
1jn4
RCSB PDB
PDBbind
124aa, >1JN4_1|Chains... at 99%
1jvu
RCSB PDB
PDBbind
124aa, >1JVU_1|Chains... at 99%
1o0f
RCSB PDB
PDBbind
124aa, >1O0F_1|Chains... at 99%
1o0h
RCSB PDB
PDBbind
124aa, >1O0H_1|Chains... at 99%
1o0m
RCSB PDB
PDBbind
124aa, >1O0M_1|Chains... at 99%
1o0n
RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
124aa, >1RNM_1|Chain... at 99%
1rpf
RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
1w4o
RCSB PDB
PDBbind
124aa, >1W4O_1|Chains... at 99%
1w4p
RCSB PDB
PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
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%
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3d7b
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ribonuclease pancreatic
Ligand Name
U4S
EC.Number
E.C.3.1.27.5
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Ki=203uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) J.Med.Chem. Vol. 52: pp. 932-942
Ligand Properties
Formula
C
1
3
H
2
0
N
3
O
5
Molecular Weight
298.315
Exact Mass
298.140
No. of atoms
41
No. of bonds
43
Polar Surface Area
108.99
LOGP Value
-1.64 (
Computed with XLOGP3
)
-1.60 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](O)[C@@H](O[C@H]1n1ccc(=O)[nH]c1=O)C[NH+]1CCCC1
InChI String
InChI=1S/C13H19N3O5/c17-9-3-6-16(13(20)14-9)12-11(19)10(18)8(21-12)7-15-4-1-2-5-15/h3,6,8,10-12,18-19H,1-2,4-5,7H2,(H,14,17,20)/p+1/t8-,10-,11+,12+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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