Browse entries in the PDBbind-CN Database
HEADER 4G8V_COMPLEX COMPND 4G8V_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 UNN A 295 40 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 34.650 21.626 9.959 1.00 37.29 N ATOM 2 CA LYS A 1 35.372 20.364 10.094 1.00 35.85 C ATOM 3 C LYS A 1 34.409 19.203 10.340 1.00 32.26 C ATOM 4 O LYS A 1 33.257 19.414 10.740 1.00 31.57 O ATOM 5 CB LYS A 1 36.411 20.456 11.214 1.00 35.42 C ATOM 6 CG LYS A 1 35.973 21.314 12.394 1.00 37.49 C ATOM 7 CD LYS A 1 37.053 21.365 13.473 1.00 42.56 C ATOM 8 CE LYS A 1 36.735 22.435 14.512 1.00 44.21 C ATOM 9 NZ LYS A 1 37.375 22.152 15.832 1.00 39.49 N ATOM 10 HA LYS A 1 35.894 20.171 9.157 1.00 0.00 H ATOM 11 HB2 LYS A 1 36.613 19.449 11.578 1.00 0.00 H ATOM 12 HB3 LYS A 1 37.325 20.882 10.800 1.00 0.00 H ATOM 13 HG2 LYS A 1 35.773 22.326 12.043 1.00 0.00 H ATOM 14 HG3 LYS A 1 35.063 20.893 12.821 1.00 0.00 H ATOM 15 HD2 LYS A 1 37.111 20.395 13.966 1.00 0.00 H ATOM 16 HD3 LYS A 1 38.012 21.593 13.008 1.00 0.00 H ATOM 17 HE2 LYS A 1 35.655 22.481 14.649 1.00 0.00 H ATOM 18 HE3 LYS A 1 37.095 23.397 14.147 1.00 0.00 H ATOM 19 HZ1 LYS A 1 37.032 21.239 16.194 1.00 0.00 H ATOM 20 HZ2 LYS A 1 38.408 22.114 15.714 1.00 0.00 H ATOM 21 HZ3 LYS A 1 37.129 22.907 16.504 1.00 0.00 H ATOM 22 HN3 LYS A 1 34.117 21.814 10.832 1.00 0.00 H ATOM 23 HN2 LYS A 1 33.992 21.563 9.156 1.00 0.00 H ATOM 24 HN1 LYS A 1 35.329 22.396 9.793 1.00 0.00 H ATOM 25 N GLU A 2 34.880 17.985 10.077 1.00 26.15 N ATOM 26 CA GLU A 2 34.045 16.789 10.200 1.00 25.64 C ATOM 27 C GLU A 2 33.990 16.325 11.651 1.00 15.76 C ATOM 28 O GLU A 2 35.026 16.064 12.266 1.00 24.83 O ATOM 29 CB GLU A 2 34.584 15.653 9.317 1.00 21.78 C ATOM 30 CG GLU A 2 33.699 14.402 9.291 1.00 18.59 C ATOM 31 CD GLU A 2 34.288 13.284 8.443 1.00 15.60 C ATOM 32 OE1 GLU A 2 35.486 12.989 8.599 1.00 18.73 O ATOM 33 OE2 GLU A 2 33.542 12.689 7.640 1.00 21.04 O ATOM 34 HA GLU A 2 33.040 17.047 9.867 1.00 0.00 H ATOM 35 HB2 GLU A 2 34.677 16.027 8.297 1.00 0.00 H ATOM 36 HB3 GLU A 2 35.568 15.368 9.689 1.00 0.00 H ATOM 37 HG2 GLU A 2 33.577 14.039 10.312 1.00 0.00 H ATOM 38 HG3 GLU A 2 32.724 14.672 8.884 1.00 0.00 H ATOM 39 H GLU A 2 35.870 17.881 9.775 1.00 0.00 H ATOM 40 N THR A 3 32.778 16.230 12.194 1.00 20.52 N ATOM 41 CA THR A 3 32.595 15.746 13.559 1.00 16.58 C ATOM 42 C THR A 3 32.785 14.239 13.592 1.00 12.48 C ATOM 43 O THR A 3 32.684 13.563 12.559 1.00 14.24 O ATOM 44 CB THR A 3 31.191 16.049 14.105 1.00 15.09 C ATOM 45 OG1 THR A 3 30.213 15.335 13.339 1.00 16.50 O ATOM 46 CG2 THR A 3 30.887 17.546 14.075 1.00 17.15 C ATOM 47 HA THR A 3 33.331 16.260 14.178 1.00 0.00 H ATOM 48 HB THR A 3 31.154 15.724 15.145 1.00 0.00 H ATOM 49 HG1 THR A 3 29.310 15.532 13.693 1.00 0.00 H ATOM 50 HG23 THR A 3 31.636 18.079 14.660 1.00 0.00 H ATOM 51 HG21 THR A 3 30.910 17.900 13.044 1.00 0.00 H ATOM 52 HG22 THR A 3 29.899 17.723 14.499 1.00 0.00 H ATOM 53 H THR A 3 31.946 16.506 11.635 1.00 0.00 H ATOM 54 N ALA A 4 33.025 13.709 14.788 1.00 15.78 N ATOM 55 CA ALA A 4 33.186 12.268 14.958 1.00 16.32 C ATOM 56 C ALA A 4 31.921 11.539 14.516 1.00 11.86 C ATOM 57 O ALA A 4 31.989 10.445 13.933 1.00 13.90 O ATOM 58 CB ALA A 4 33.523 11.938 16.396 1.00 13.39 C ATOM 59 HA ALA A 4 34.012 11.933 14.331 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.453 12.434 16.673 1.00 0.00 H ATOM 61 HB2 ALA A 4 32.718 12.284 17.045 1.00 0.00 H ATOM 62 HB3 ALA A 4 33.639 10.859 16.502 1.00 0.00 H ATOM 63 H ALA A 4 33.099 14.332 15.617 1.00 0.00 H ATOM 64 N ALA A 5 30.771 12.135 14.820 1.00 14.74 N ATOM 65 CA ALA A 5 29.483 11.565 14.431 1.00 13.50 C ATOM 66 C ALA A 5 29.366 11.502 12.909 1.00 13.25 C ATOM 67 O ALA A 5 28.942 10.488 12.360 1.00 9.87 O ATOM 68 CB ALA A 5 28.322 12.370 15.046 1.00 11.06 C ATOM 69 HA ALA A 5 29.423 10.548 14.817 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.403 12.349 16.133 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.371 13.401 14.696 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.373 11.927 14.742 1.00 0.00 H ATOM 73 H ALA A 5 30.789 13.030 15.349 1.00 0.00 H ATOM 74 N ALA A 6 29.774 12.578 12.234 1.00 12.70 N ATOM 75 CA ALA A 6 29.762 12.626 10.774 1.00 13.69 C ATOM 76 C ALA A 6 30.731 11.614 10.168 1.00 9.61 C ATOM 77 O ALA A 6 30.443 10.995 9.138 1.00 9.31 O ATOM 78 CB ALA A 6 30.096 14.050 10.293 1.00 15.45 C ATOM 79 HA ALA A 6 28.761 12.359 10.436 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.354 14.747 10.682 1.00 0.00 H ATOM 81 HB2 ALA A 6 31.085 14.331 10.654 1.00 0.00 H ATOM 82 HB3 ALA A 6 30.085 14.076 9.203 1.00 0.00 H ATOM 83 H ALA A 6 30.111 13.408 12.763 1.00 0.00 H ATOM 84 N LYS A 7 31.877 11.444 10.812 1.00 8.04 N ATOM 85 CA LYS A 7 32.886 10.520 10.343 1.00 8.59 C ATOM 86 C LYS A 7 32.360 9.098 10.449 1.00 11.58 C ATOM 87 O LYS A 7 32.572 8.296 9.554 1.00 8.90 O ATOM 88 CB LYS A 7 34.167 10.683 11.151 1.00 14.41 C ATOM 89 CG LYS A 7 35.288 9.813 10.643 1.00 17.95 C ATOM 90 CD LYS A 7 36.546 10.036 11.431 1.00 17.57 C ATOM 91 CE LYS A 7 37.703 9.407 10.697 1.00 21.44 C ATOM 92 NZ LYS A 7 38.924 9.371 11.553 1.00 25.79 N ATOM 93 HA LYS A 7 33.115 10.734 9.299 1.00 0.00 H ATOM 94 HB2 LYS A 7 34.483 11.725 11.099 1.00 0.00 H ATOM 95 HB3 LYS A 7 33.962 10.418 12.188 1.00 0.00 H ATOM 96 HG2 LYS A 7 34.994 8.767 10.730 1.00 0.00 H ATOM 97 HG3 LYS A 7 35.477 10.051 9.596 1.00 0.00 H ATOM 98 HD2 LYS A 7 36.722 11.106 11.544 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.446 9.580 12.416 1.00 0.00 H ATOM 100 HE2 LYS A 7 37.914 9.988 9.799 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.435 8.389 10.415 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.186 10.341 11.821 1.00 0.00 H ATOM 103 HZ2 LYS A 7 38.729 8.814 12.409 1.00 0.00 H ATOM 104 HZ3 LYS A 7 39.705 8.933 11.023 1.00 0.00 H ATOM 105 H LYS A 7 32.056 11.990 11.679 1.00 0.00 H ATOM 106 N PHE A 8 31.659 8.786 11.539 1.00 8.52 N ATOM 107 CA PHE A 8 31.037 7.469 11.657 1.00 7.99 C ATOM 108 C PHE A 8 30.048 7.249 10.510 1.00 9.29 C ATOM 109 O PHE A 8 30.011 6.174 9.904 1.00 7.11 O ATOM 110 CB PHE A 8 30.334 7.302 13.015 1.00 9.05 C ATOM 111 CG PHE A 8 29.607 5.990 13.155 1.00 6.42 C ATOM 112 CD1 PHE A 8 28.293 5.852 12.709 1.00 7.89 C ATOM 113 CD2 PHE A 8 30.245 4.881 13.716 1.00 6.88 C ATOM 114 CE1 PHE A 8 27.623 4.636 12.812 1.00 9.32 C ATOM 115 CE2 PHE A 8 29.583 3.659 13.835 1.00 6.59 C ATOM 116 CZ PHE A 8 28.269 3.532 13.375 1.00 7.08 C ATOM 117 HA PHE A 8 31.823 6.716 11.596 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.084 7.368 13.803 1.00 0.00 H ATOM 119 HB3 PHE A 8 29.613 8.111 13.133 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.274 4.972 14.065 1.00 0.00 H ATOM 121 HE2 PHE A 8 30.089 2.805 14.286 1.00 0.00 H ATOM 122 HZ PHE A 8 27.751 2.576 13.455 1.00 0.00 H ATOM 123 HE1 PHE A 8 26.597 4.545 12.454 1.00 0.00 H ATOM 124 HD1 PHE A 8 27.782 6.710 12.273 1.00 0.00 H ATOM 125 H PHE A 8 31.555 9.480 12.306 1.00 0.00 H ATOM 126 N GLU A 9 29.245 8.261 10.203 1.00 8.75 N ATOM 127 CA GLU A 9 28.289 8.115 9.109 1.00 8.72 C ATOM 128 C GLU A 9 28.987 7.872 7.775 1.00 7.31 C ATOM 129 O GLU A 9 28.551 7.016 6.999 1.00 8.07 O ATOM 130 CB GLU A 9 27.350 9.321 9.017 1.00 9.63 C ATOM 131 CG GLU A 9 26.469 9.464 10.252 1.00 10.80 C ATOM 132 CD GLU A 9 25.365 10.475 10.063 1.00 16.76 C ATOM 133 OE1 GLU A 9 24.896 10.650 8.913 1.00 17.28 O ATOM 134 OE2 GLU A 9 24.957 11.092 11.066 1.00 14.45 O ATOM 135 HA GLU A 9 27.686 7.235 9.333 1.00 0.00 H ATOM 136 HB2 GLU A 9 27.949 10.225 8.907 1.00 0.00 H ATOM 137 HB3 GLU A 9 26.711 9.202 8.142 1.00 0.00 H ATOM 138 HG2 GLU A 9 26.021 8.496 10.476 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.091 9.778 11.090 1.00 0.00 H ATOM 140 H GLU A 9 29.297 9.151 10.738 1.00 0.00 H ATOM 141 N ARG A 10 30.068 8.602 7.523 1.00 7.27 N ATOM 142 CA ARG A 10 30.810 8.440 6.266 1.00 9.39 C ATOM 143 C ARG A 10 31.479 7.065 6.169 1.00 8.78 C ATOM 144 O ARG A 10 31.475 6.427 5.114 1.00 12.10 O ATOM 145 CB ARG A 10 31.858 9.539 6.117 1.00 9.04 C ATOM 146 CG ARG A 10 32.779 9.343 4.909 1.00 11.55 C ATOM 147 CD ARG A 10 33.712 10.531 4.726 1.00 13.27 C ATOM 148 NE ARG A 10 34.538 10.811 5.897 1.00 12.95 N ATOM 149 CZ ARG A 10 35.685 10.203 6.183 1.00 13.88 C ATOM 150 NH1 ARG A 10 36.165 9.242 5.392 1.00 17.93 N ATOM 151 NH2 ARG A 10 36.353 10.549 7.274 1.00 17.39 N ATOM 152 HA ARG A 10 30.087 8.518 5.454 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.344 10.494 6.008 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.470 9.558 7.019 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.375 8.443 5.059 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.170 9.228 4.013 1.00 0.00 H ATOM 157 HD2 ARG A 10 33.109 11.413 4.510 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.369 10.326 3.881 1.00 0.00 H ATOM 159 HE ARG A 10 34.204 11.542 6.557 1.00 0.00 H ATOM 160 HH12 ARG A 10 37.064 8.775 5.628 1.00 0.00 H ATOM 161 HH11 ARG A 10 35.641 8.960 4.539 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.251 10.078 7.505 1.00 0.00 H ATOM 163 HH21 ARG A 10 35.979 11.291 7.899 1.00 0.00 H ATOM 164 H ARG A 10 30.393 9.297 8.225 1.00 0.00 H ATOM 165 N GLN A 11 32.046 6.601 7.273 1.00 8.99 N ATOM 166 CA GLN A 11 32.771 5.334 7.262 1.00 10.27 C ATOM 167 C GLN A 11 31.881 4.121 7.372 1.00 9.58 C ATOM 168 O GLN A 11 32.250 3.045 6.918 1.00 8.55 O ATOM 169 CB GLN A 11 33.793 5.307 8.397 1.00 9.16 C ATOM 170 CG GLN A 11 34.822 6.414 8.272 1.00 12.79 C ATOM 171 CD GLN A 11 35.988 6.243 9.205 1.00 23.04 C ATOM 172 OE1 GLN A 11 35.830 5.806 10.346 1.00 19.48 O ATOM 173 NE2 GLN A 11 37.179 6.592 8.727 1.00 27.98 N ATOM 174 HA GLN A 11 33.263 5.280 6.291 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.267 5.422 9.345 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.308 4.346 8.383 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.196 6.427 7.248 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.337 7.365 8.493 1.00 0.00 H ATOM 179 HE22 GLN A 11 37.263 6.956 7.757 1.00 0.00 H ATOM 180 HE21 GLN A 11 38.026 6.501 9.324 1.00 0.00 H ATOM 181 H GLN A 11 31.974 7.145 8.156 1.00 0.00 H ATOM 182 N HIS A 12 30.713 4.274 7.983 1.00 8.81 N ATOM 183 CA HIS A 12 29.972 3.082 8.390 1.00 5.52 C ATOM 184 C HIS A 12 28.512 2.993 8.012 1.00 9.60 C ATOM 185 O HIS A 12 27.912 1.944 8.193 1.00 9.33 O ATOM 186 CB HIS A 12 30.098 2.869 9.903 1.00 9.54 C ATOM 187 CG HIS A 12 31.504 2.664 10.348 1.00 7.00 C ATOM 188 ND1 HIS A 12 32.268 1.605 9.903 1.00 6.90 N ATOM 189 CD2 HIS A 12 32.290 3.388 11.167 1.00 6.07 C ATOM 190 CE1 HIS A 12 33.468 1.688 10.445 1.00 11.02 C ATOM 191 NE2 HIS A 12 33.516 2.763 11.204 1.00 8.40 N ATOM 192 HA HIS A 12 30.452 2.296 7.807 1.00 0.00 H ATOM 193 HB2 HIS A 12 29.697 3.746 10.412 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.514 1.991 10.180 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.009 4.297 11.700 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.285 0.983 10.290 1.00 0.00 H ATOM 197 H HIS A 12 30.332 5.224 8.169 1.00 0.00 H ATOM 198 N MET A 13 27.921 4.077 7.534 1.00 6.95 N ATOM 199 CA MET A 13 26.507 4.016 7.175 1.00 9.06 C ATOM 200 C MET A 13 26.312 3.888 5.668 1.00 9.40 C ATOM 201 O MET A 13 26.866 4.669 4.897 1.00 13.64 O ATOM 202 CB MET A 13 25.757 5.244 7.685 1.00 11.29 C ATOM 203 CG MET A 13 25.641 5.327 9.211 1.00 9.37 C ATOM 204 SD MET A 13 24.712 3.972 9.939 1.00 10.60 S ATOM 205 CE MET A 13 23.157 4.058 9.056 1.00 8.89 C ATOM 206 HA MET A 13 26.099 3.125 7.652 1.00 0.00 H ATOM 207 HB2 MET A 13 26.280 6.133 7.334 1.00 0.00 H ATOM 208 HB3 MET A 13 24.751 5.227 7.267 1.00 0.00 H ATOM 209 HG2 MET A 13 25.144 6.263 9.468 1.00 0.00 H ATOM 210 HG3 MET A 13 26.646 5.322 9.634 1.00 0.00 H ATOM 211 HE1 MET A 13 22.696 5.031 9.228 1.00 0.00 H ATOM 212 HE2 MET A 13 23.338 3.924 7.990 1.00 0.00 H ATOM 213 HE3 MET A 13 22.493 3.271 9.414 1.00 0.00 H ATOM 214 H MET A 13 28.457 4.960 7.416 1.00 0.00 H ATOM 215 N ASP A 14 25.530 2.896 5.261 1.00 11.04 N ATOM 216 CA ASP A 14 25.051 2.835 3.880 1.00 8.92 C ATOM 217 C ASP A 14 23.609 2.354 3.861 1.00 9.58 C ATOM 218 O ASP A 14 23.325 1.211 3.493 1.00 12.37 O ATOM 219 CB ASP A 14 25.914 1.918 3.017 1.00 12.59 C ATOM 220 CG ASP A 14 25.490 1.946 1.555 1.00 17.54 C ATOM 221 OD1 ASP A 14 24.805 2.918 1.171 1.00 17.45 O ATOM 222 OD2 ASP A 14 25.831 1.008 0.804 1.00 16.42 O ATOM 223 HA ASP A 14 25.115 3.839 3.460 1.00 0.00 H ATOM 224 HB2 ASP A 14 26.952 2.241 3.089 1.00 0.00 H ATOM 225 HB3 ASP A 14 25.826 0.898 3.390 1.00 0.00 H ATOM 226 H ASP A 14 25.254 2.152 5.933 1.00 0.00 H ATOM 227 N SER A 15 22.690 3.231 4.248 1.00 10.86 N ATOM 228 CA SER A 15 21.285 2.855 4.323 1.00 12.17 C ATOM 229 C SER A 15 20.699 2.581 2.933 1.00 23.88 C ATOM 230 O SER A 15 19.751 1.808 2.800 1.00 28.14 O ATOM 231 CB SER A 15 20.488 3.966 5.010 1.00 13.36 C ATOM 232 OG SER A 15 21.024 4.295 6.277 1.00 15.20 O ATOM 233 HA SER A 15 21.215 1.936 4.904 1.00 0.00 H ATOM 234 HB2 SER A 15 19.458 3.633 5.139 1.00 0.00 H ATOM 235 HB3 SER A 15 20.505 4.854 4.379 1.00 0.00 H ATOM 236 HG SER A 15 21.006 3.495 6.860 1.00 0.00 H ATOM 237 H SER A 15 22.977 4.198 4.501 1.00 0.00 H ATOM 238 N SER A 16 21.292 3.200 1.909 1.00 20.77 N ATOM 239 CA SER A 16 20.769 3.187 0.531 1.00 23.90 C ATOM 240 C SER A 16 20.521 1.807 -0.093 1.00 32.85 C ATOM 241 O SER A 16 19.620 1.654 -0.927 1.00 38.42 O ATOM 242 CB SER A 16 21.683 3.998 -0.395 1.00 21.45 C ATOM 243 OG SER A 16 21.679 5.367 -0.051 1.00 25.73 O ATOM 244 HA SER A 16 19.782 3.639 0.626 1.00 0.00 H ATOM 245 HB2 SER A 16 21.335 3.889 -1.422 1.00 0.00 H ATOM 246 HB3 SER A 16 22.700 3.615 -0.315 1.00 0.00 H ATOM 247 HG SER A 16 22.277 5.862 -0.665 1.00 0.00 H ATOM 248 H SER A 16 22.173 3.721 2.094 1.00 0.00 H ATOM 249 N THR A 17 21.331 0.821 0.280 1.00 30.12 N ATOM 250 CA THR A 17 21.131 -0.544 -0.201 1.00 33.84 C ATOM 251 C THR A 17 20.762 -1.467 0.961 1.00 38.33 C ATOM 252 O THR A 17 21.133 -1.203 2.105 1.00 30.35 O ATOM 253 CB THR A 17 22.375 -1.075 -0.947 1.00 36.30 C ATOM 254 OG1 THR A 17 22.090 -2.366 -1.507 1.00 39.17 O ATOM 255 CG2 THR A 17 23.575 -1.169 -0.002 1.00 22.98 C ATOM 256 HA THR A 17 20.307 -0.529 -0.914 1.00 0.00 H ATOM 257 HB THR A 17 22.623 -0.379 -1.749 1.00 0.00 H ATOM 258 HG1 THR A 17 22.890 -2.702 -1.984 1.00 0.00 H ATOM 259 HG23 THR A 17 23.783 -0.185 0.418 1.00 0.00 H ATOM 260 HG21 THR A 17 23.348 -1.868 0.803 1.00 0.00 H ATOM 261 HG22 THR A 17 24.445 -1.521 -0.556 1.00 0.00 H ATOM 262 H THR A 17 22.121 1.025 0.925 1.00 0.00 H ATOM 263 N SER A 18 20.019 -2.533 0.672 1.00 37.15 N ATOM 264 CA SER A 18 19.532 -3.418 1.726 1.00 38.16 C ATOM 265 C SER A 18 20.622 -4.382 2.172 1.00 33.65 C ATOM 266 O SER A 18 20.606 -4.869 3.310 1.00 31.27 O ATOM 267 CB SER A 18 18.306 -4.204 1.249 1.00 40.38 C ATOM 268 OG SER A 18 17.245 -3.332 0.881 1.00 43.07 O ATOM 269 HA SER A 18 19.245 -2.798 2.576 1.00 0.00 H ATOM 270 HB2 SER A 18 17.967 -4.857 2.054 1.00 0.00 H ATOM 271 HB3 SER A 18 18.585 -4.808 0.386 1.00 0.00 H ATOM 272 HG SER A 18 17.546 -2.740 0.147 1.00 0.00 H ATOM 273 H SER A 18 19.782 -2.738 -0.320 1.00 0.00 H ATOM 274 N ALA A 19 21.569 -4.624 1.265 1.00 30.74 N ATOM 275 CA ALA A 19 22.599 -5.643 1.425 1.00 28.70 C ATOM 276 C ALA A 19 23.307 -5.824 0.105 1.00 37.80 C ATOM 277 O ALA A 19 24.522 -5.996 0.066 1.00 34.28 O ATOM 278 CB ALA A 19 21.965 -6.976 1.819 1.00 32.54 C ATOM 279 HA ALA A 19 23.296 -5.329 2.202 1.00 0.00 H ATOM 280 HB1 ALA A 19 21.430 -6.858 2.761 1.00 0.00 H ATOM 281 HB2 ALA A 19 21.269 -7.290 1.041 1.00 0.00 H ATOM 282 HB3 ALA A 19 22.746 -7.728 1.935 1.00 0.00 H ATOM 283 H ALA A 19 21.573 -4.054 0.395 1.00 0.00 H ATOM 284 N ALA A 20 22.521 -5.744 -0.974 1.00 34.46 N ATOM 285 CA ALA A 20 22.811 -6.374 -2.272 1.00 34.32 C ATOM 286 C ALA A 20 24.233 -6.244 -2.831 1.00 34.10 C ATOM 287 O ALA A 20 24.505 -6.716 -3.937 1.00 39.98 O ATOM 288 CB ALA A 20 21.780 -5.930 -3.319 1.00 30.25 C ATOM 289 HA ALA A 20 22.733 -7.439 -2.053 1.00 0.00 H ATOM 290 HB1 ALA A 20 20.783 -6.226 -2.993 1.00 0.00 H ATOM 291 HB2 ALA A 20 21.821 -4.846 -3.431 1.00 0.00 H ATOM 292 HB3 ALA A 20 22.007 -6.404 -4.274 1.00 0.00 H ATOM 293 H ALA A 20 21.641 -5.197 -0.890 1.00 0.00 H ATOM 294 N SER A 21 25.107 -5.606 -2.053 1.00 31.90 N ATOM 295 CA SER A 21 26.531 -5.448 -2.324 1.00 27.60 C ATOM 296 C SER A 21 27.094 -6.452 -3.315 1.00 25.54 C ATOM 297 O SER A 21 27.278 -7.625 -2.973 1.00 28.70 O ATOM 298 CB SER A 21 27.286 -5.577 -1.004 1.00 27.03 C ATOM 299 OG SER A 21 26.648 -4.776 -0.026 1.00 25.47 O ATOM 300 HA SER A 21 26.659 -4.467 -2.782 1.00 0.00 H ATOM 301 HB2 SER A 21 28.315 -5.242 -1.137 1.00 0.00 H ATOM 302 HB3 SER A 21 27.284 -6.618 -0.682 1.00 0.00 H ATOM 303 HG SER A 21 25.714 -5.083 0.092 1.00 0.00 H ATOM 304 H SER A 21 24.741 -5.184 -1.176 1.00 0.00 H ATOM 305 N SER A 22 27.348 -5.996 -4.542 1.00 26.18 N ATOM 306 CA SER A 22 28.027 -6.823 -5.540 1.00 22.02 C ATOM 307 C SER A 22 29.395 -7.222 -5.012 1.00 23.03 C ATOM 308 O SER A 22 29.817 -6.757 -3.957 1.00 19.88 O ATOM 309 CB SER A 22 28.191 -6.074 -6.862 1.00 19.40 C ATOM 310 OG SER A 22 29.024 -4.935 -6.729 1.00 24.27 O ATOM 311 HA SER A 22 27.420 -7.709 -5.724 1.00 0.00 H ATOM 312 HB2 SER A 22 27.209 -5.753 -7.209 1.00 0.00 H ATOM 313 HB3 SER A 22 28.632 -6.748 -7.596 1.00 0.00 H ATOM 314 HG SER A 22 29.103 -4.481 -7.605 1.00 0.00 H ATOM 315 H SER A 22 27.057 -5.030 -4.795 1.00 0.00 H ATOM 316 N SER A 23 30.091 -8.088 -5.738 1.00 20.52 N ATOM 317 CA SER A 23 31.467 -8.406 -5.385 1.00 23.66 C ATOM 318 C SER A 23 32.342 -7.151 -5.490 1.00 17.71 C ATOM 319 O SER A 23 33.418 -7.084 -4.886 1.00 21.13 O ATOM 320 CB SER A 23 31.998 -9.530 -6.277 1.00 18.86 C ATOM 321 OG SER A 23 31.610 -9.320 -7.623 1.00 18.04 O ATOM 322 HA SER A 23 31.499 -8.755 -4.353 1.00 0.00 H ATOM 323 HB2 SER A 23 31.596 -10.483 -5.932 1.00 0.00 H ATOM 324 HB3 SER A 23 33.086 -9.553 -6.216 1.00 0.00 H ATOM 325 HG SER A 23 31.976 -8.457 -7.940 1.00 0.00 H ATOM 326 H SER A 23 29.651 -8.542 -6.564 1.00 0.00 H ATOM 327 N ASN A 24 31.867 -6.159 -6.243 1.00 22.15 N ATOM 328 CA ASN A 24 32.579 -4.895 -6.433 1.00 21.47 C ATOM 329 C ASN A 24 32.348 -3.900 -5.310 1.00 15.78 C ATOM 330 O ASN A 24 33.000 -2.865 -5.288 1.00 15.73 O ATOM 331 CB ASN A 24 32.107 -4.178 -7.707 1.00 26.10 C ATOM 332 CG ASN A 24 32.358 -4.965 -8.974 1.00 33.19 C ATOM 333 OD1 ASN A 24 33.421 -5.561 -9.159 1.00 32.76 O ATOM 334 ND2 ASN A 24 31.378 -4.945 -9.876 1.00 30.45 N ATOM 335 HA ASN A 24 33.630 -5.182 -6.478 1.00 0.00 H ATOM 336 HB2 ASN A 24 31.036 -3.994 -7.622 1.00 0.00 H ATOM 337 HB3 ASN A 24 32.633 -3.226 -7.782 1.00 0.00 H ATOM 338 HD22 ASN A 24 30.498 -4.428 -9.676 1.00 0.00 H ATOM 339 HD21 ASN A 24 31.493 -5.446 -10.780 1.00 0.00 H ATOM 340 H ASN A 24 30.950 -6.289 -6.716 1.00 0.00 H ATOM 341 N TYR A 25 31.395 -4.185 -4.425 1.00 13.17 N ATOM 342 CA TYR A 25 30.863 -3.167 -3.514 1.00 16.97 C ATOM 343 C TYR A 25 31.948 -2.506 -2.674 1.00 12.29 C ATOM 344 O TYR A 25 32.050 -1.274 -2.619 1.00 13.14 O ATOM 345 CB TYR A 25 29.776 -3.773 -2.621 1.00 16.98 C ATOM 346 CG TYR A 25 29.250 -2.859 -1.528 1.00 14.84 C ATOM 347 CD1 TYR A 25 28.168 -2.021 -1.761 1.00 18.51 C ATOM 348 CD2 TYR A 25 29.811 -2.872 -0.247 1.00 13.63 C ATOM 349 CE1 TYR A 25 27.671 -1.190 -0.761 1.00 17.98 C ATOM 350 CE2 TYR A 25 29.321 -2.044 0.756 1.00 14.67 C ATOM 351 CZ TYR A 25 28.248 -1.212 0.493 1.00 16.04 C ATOM 352 OH TYR A 25 27.756 -0.382 1.477 1.00 14.28 O ATOM 353 HA TYR A 25 30.425 -2.381 -4.129 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.188 -4.664 -2.146 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.937 -4.056 -3.256 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.644 -3.541 -0.032 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.780 -2.050 1.745 1.00 0.00 H ATOM 358 HE1 TYR A 25 26.831 -0.526 -0.967 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.699 -2.014 -2.745 1.00 0.00 H ATOM 360 HH TYR A 25 26.994 0.138 1.118 1.00 0.00 H ATOM 361 H TYR A 25 31.019 -5.153 -4.379 1.00 0.00 H ATOM 362 N CYS A 26 32.774 -3.313 -2.031 1.00 13.99 N ATOM 363 CA CYS A 26 33.801 -2.743 -1.169 1.00 15.48 C ATOM 364 C CYS A 26 34.862 -1.960 -1.937 1.00 13.75 C ATOM 365 O CYS A 26 35.285 -0.897 -1.492 1.00 14.21 O ATOM 366 CB CYS A 26 34.439 -3.815 -0.301 1.00 9.74 C ATOM 367 SG CYS A 26 33.311 -4.431 0.950 1.00 11.38 S ATOM 368 HA CYS A 26 33.296 -2.024 -0.524 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.315 -3.393 0.192 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.746 -4.645 -0.937 1.00 0.00 H ATOM 371 H CYS A 26 32.692 -4.344 -2.139 1.00 0.00 H ATOM 372 N ASN A 27 35.284 -2.467 -3.092 1.00 15.10 N ATOM 373 CA ASN A 27 36.239 -1.729 -3.909 1.00 15.11 C ATOM 374 C ASN A 27 35.761 -0.304 -4.200 1.00 16.85 C ATOM 375 O ASN A 27 36.530 0.658 -4.130 1.00 20.91 O ATOM 376 CB ASN A 27 36.510 -2.488 -5.214 1.00 15.96 C ATOM 377 CG ASN A 27 37.237 -3.785 -4.981 1.00 17.14 C ATOM 378 OD1 ASN A 27 37.969 -3.923 -3.994 1.00 17.02 O ATOM 379 ND2 ASN A 27 37.043 -4.752 -5.880 1.00 20.05 N ATOM 380 HA ASN A 27 37.168 -1.646 -3.345 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.558 -2.702 -5.699 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.116 -1.859 -5.866 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.417 -4.587 -6.694 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.518 -5.670 -5.766 1.00 0.00 H ATOM 385 H ASN A 27 34.932 -3.392 -3.413 1.00 0.00 H ATOM 386 N GLN A 28 34.472 -0.182 -4.490 1.00 16.29 N ATOM 387 CA GLN A 28 33.878 1.094 -4.849 1.00 17.49 C ATOM 388 C GLN A 28 33.603 1.954 -3.621 1.00 16.12 C ATOM 389 O GLN A 28 33.970 3.131 -3.587 1.00 20.04 O ATOM 390 CB GLN A 28 32.609 0.865 -5.670 1.00 20.78 C ATOM 391 CG GLN A 28 32.866 -0.058 -6.864 1.00 28.76 C ATOM 392 CD GLN A 28 31.633 -0.314 -7.706 1.00 39.31 C ATOM 393 OE1 GLN A 28 30.505 -0.106 -7.256 1.00 43.65 O ATOM 394 NE2 GLN A 28 31.843 -0.770 -8.940 1.00 35.11 N ATOM 395 HA GLN A 28 34.592 1.645 -5.461 1.00 0.00 H ATOM 396 HB2 GLN A 28 31.851 0.413 -5.030 1.00 0.00 H ATOM 397 HB3 GLN A 28 32.247 1.825 -6.037 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.627 0.399 -7.496 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.233 -1.014 -6.489 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.814 -0.931 -9.277 1.00 0.00 H ATOM 401 HE21 GLN A 28 31.036 -0.965 -9.567 1.00 0.00 H ATOM 402 H GLN A 28 33.867 -1.028 -4.459 1.00 0.00 H ATOM 403 N MET A 29 32.969 1.359 -2.614 1.00 16.04 N ATOM 404 CA MET A 29 32.609 2.087 -1.392 1.00 17.04 C ATOM 405 C MET A 29 33.806 2.557 -0.560 1.00 16.34 C ATOM 406 O MET A 29 33.800 3.669 -0.025 1.00 14.10 O ATOM 407 CB MET A 29 31.671 1.241 -0.526 1.00 13.99 C ATOM 408 CG MET A 29 30.278 1.125 -1.102 1.00 16.84 C ATOM 409 SD MET A 29 29.431 2.717 -1.014 1.00 23.34 S ATOM 410 CE MET A 29 29.153 2.814 0.766 1.00 16.23 C ATOM 411 HA MET A 29 32.103 2.992 -1.729 1.00 0.00 H ATOM 412 HB2 MET A 29 32.093 0.240 -0.432 1.00 0.00 H ATOM 413 HB3 MET A 29 31.602 1.699 0.461 1.00 0.00 H ATOM 414 HG2 MET A 29 29.714 0.385 -0.534 1.00 0.00 H ATOM 415 HG3 MET A 29 30.344 0.809 -2.143 1.00 0.00 H ATOM 416 HE1 MET A 29 28.545 1.967 1.084 1.00 0.00 H ATOM 417 HE2 MET A 29 30.112 2.790 1.284 1.00 0.00 H ATOM 418 HE3 MET A 29 28.635 3.744 1.001 1.00 0.00 H ATOM 419 H MET A 29 32.722 0.352 -2.695 1.00 0.00 H ATOM 420 N MET A 30 34.835 1.725 -0.438 1.00 13.12 N ATOM 421 CA MET A 30 36.011 2.139 0.325 1.00 14.63 C ATOM 422 C MET A 30 36.670 3.351 -0.329 1.00 16.44 C ATOM 423 O MET A 30 37.174 4.239 0.350 1.00 16.51 O ATOM 424 CB MET A 30 37.008 0.985 0.473 1.00 13.87 C ATOM 425 CG MET A 30 36.457 -0.201 1.272 1.00 11.14 C ATOM 426 SD MET A 30 36.180 0.245 2.991 1.00 10.42 S ATOM 427 CE MET A 30 37.864 0.389 3.573 1.00 14.39 C ATOM 428 HA MET A 30 35.685 2.423 1.326 1.00 0.00 H ATOM 429 HB2 MET A 30 37.280 0.634 -0.522 1.00 0.00 H ATOM 430 HB3 MET A 30 37.897 1.360 0.980 1.00 0.00 H ATOM 431 HG2 MET A 30 37.172 -1.022 1.228 1.00 0.00 H ATOM 432 HG3 MET A 30 35.513 -0.519 0.830 1.00 0.00 H ATOM 433 HE1 MET A 30 38.374 -0.566 3.445 1.00 0.00 H ATOM 434 HE2 MET A 30 38.381 1.158 2.999 1.00 0.00 H ATOM 435 HE3 MET A 30 37.860 0.662 4.628 1.00 0.00 H ATOM 436 H MET A 30 34.804 0.785 -0.883 1.00 0.00 H ATOM 437 N LYS A 31 36.622 3.401 -1.653 1.00 21.39 N ATOM 438 CA LYS A 31 37.192 4.521 -2.390 1.00 19.81 C ATOM 439 C LYS A 31 36.317 5.769 -2.255 1.00 16.40 C ATOM 440 O LYS A 31 36.806 6.845 -1.919 1.00 19.08 O ATOM 441 CB LYS A 31 37.376 4.140 -3.861 1.00 22.16 C ATOM 442 CG LYS A 31 37.766 5.294 -4.775 1.00 28.10 C ATOM 443 CD LYS A 31 38.041 4.783 -6.189 1.00 30.76 C ATOM 444 CE LYS A 31 38.022 5.896 -7.227 1.00 42.33 C ATOM 445 NZ LYS A 31 37.871 5.342 -8.611 1.00 43.66 N ATOM 446 HA LYS A 31 38.168 4.755 -1.965 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.156 3.381 -3.920 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.437 3.722 -4.224 1.00 0.00 H ATOM 449 HG2 LYS A 31 36.952 6.019 -4.806 1.00 0.00 H ATOM 450 HG3 LYS A 31 38.664 5.774 -4.385 1.00 0.00 H ATOM 451 HD2 LYS A 31 39.022 4.308 -6.204 1.00 0.00 H ATOM 452 HD3 LYS A 31 37.279 4.049 -6.450 1.00 0.00 H ATOM 453 HE2 LYS A 31 38.956 6.455 -7.167 1.00 0.00 H ATOM 454 HE3 LYS A 31 37.186 6.564 -7.018 1.00 0.00 H ATOM 455 HZ1 LYS A 31 38.669 4.707 -8.818 1.00 0.00 H ATOM 456 HZ2 LYS A 31 36.979 4.812 -8.675 1.00 0.00 H ATOM 457 HZ3 LYS A 31 37.861 6.124 -9.297 1.00 0.00 H ATOM 458 H LYS A 31 36.168 2.625 -2.176 1.00 0.00 H ATOM 459 N SER A 32 35.017 5.615 -2.479 1.00 15.54 N ATOM 460 CA SER A 32 34.110 6.760 -2.521 1.00 20.19 C ATOM 461 C SER A 32 33.912 7.420 -1.155 1.00 20.60 C ATOM 462 O SER A 32 33.714 8.631 -1.063 1.00 19.17 O ATOM 463 CB SER A 32 32.768 6.361 -3.130 1.00 19.07 C ATOM 464 OG SER A 32 32.200 5.256 -2.447 1.00 20.15 O ATOM 465 HA SER A 32 34.583 7.508 -3.158 1.00 0.00 H ATOM 466 HB2 SER A 32 32.918 6.093 -4.176 1.00 0.00 H ATOM 467 HB3 SER A 32 32.084 7.207 -3.067 1.00 0.00 H ATOM 468 HG SER A 32 32.815 4.482 -2.505 1.00 0.00 H ATOM 469 H SER A 32 34.636 4.659 -2.628 1.00 0.00 H ATOM 470 N ARG A 33 33.989 6.630 -0.091 1.00 16.38 N ATOM 471 CA ARG A 33 33.873 7.174 1.255 1.00 15.53 C ATOM 472 C ARG A 33 35.233 7.615 1.777 1.00 19.48 C ATOM 473 O ARG A 33 35.396 7.892 2.971 1.00 15.28 O ATOM 474 CB ARG A 33 33.246 6.146 2.196 1.00 14.47 C ATOM 475 CG ARG A 33 31.836 5.760 1.807 1.00 11.81 C ATOM 476 CD ARG A 33 30.882 6.943 1.891 1.00 10.75 C ATOM 477 NE ARG A 33 29.508 6.522 1.628 1.00 10.72 N ATOM 478 CZ ARG A 33 28.685 6.045 2.560 1.00 11.19 C ATOM 479 NH1 ARG A 33 29.099 5.942 3.827 1.00 13.46 N ATOM 480 NH2 ARG A 33 27.450 5.685 2.233 1.00 14.90 N ATOM 481 HA ARG A 33 33.223 8.048 1.215 1.00 0.00 H ATOM 482 HB2 ARG A 33 33.865 5.249 2.190 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.225 6.565 3.202 1.00 0.00 H ATOM 484 HG2 ARG A 33 31.842 5.384 0.784 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.486 4.976 2.479 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.174 7.691 1.154 1.00 0.00 H ATOM 487 HD3 ARG A 33 30.938 7.377 2.889 1.00 0.00 H ATOM 488 HE ARG A 33 29.151 6.599 0.654 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.457 5.570 4.555 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.063 6.234 4.084 1.00 0.00 H ATOM 491 HH22 ARG A 33 26.807 5.312 2.961 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.125 5.775 1.249 1.00 0.00 H ATOM 493 H ARG A 33 34.134 5.608 -0.220 1.00 0.00 H ATOM 494 N ASN A 34 36.207 7.649 0.869 1.00 19.75 N ATOM 495 CA ASN A 34 37.538 8.171 1.148 1.00 19.32 C ATOM 496 C ASN A 34 38.322 7.404 2.210 1.00 18.60 C ATOM 497 O ASN A 34 39.078 7.992 2.982 1.00 23.20 O ATOM 498 CB ASN A 34 37.461 9.677 1.462 1.00 20.76 C ATOM 499 CG ASN A 34 36.802 10.472 0.337 1.00 29.50 C ATOM 500 OD1 ASN A 34 37.366 10.615 -0.751 1.00 37.55 O ATOM 501 ND2 ASN A 34 35.603 10.987 0.595 1.00 33.65 N ATOM 502 HA ASN A 34 38.117 8.020 0.237 1.00 0.00 H ATOM 503 HB2 ASN A 34 36.882 9.816 2.375 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.472 10.056 1.613 1.00 0.00 H ATOM 505 HD22 ASN A 34 35.164 10.842 1.527 1.00 0.00 H ATOM 506 HD21 ASN A 34 35.104 11.535 -0.135 1.00 0.00 H ATOM 507 H ASN A 34 36.008 7.285 -0.085 1.00 0.00 H ATOM 508 N LEU A 35 38.162 6.083 2.218 1.00 19.63 N ATOM 509 CA LEU A 35 38.862 5.220 3.163 1.00 19.88 C ATOM 510 C LEU A 35 40.118 4.609 2.540 1.00 19.55 C ATOM 511 O LEU A 35 40.791 3.790 3.164 1.00 22.57 O ATOM 512 CB LEU A 35 37.937 4.107 3.659 1.00 20.17 C ATOM 513 CG LEU A 35 36.602 4.615 4.192 1.00 20.89 C ATOM 514 CD1 LEU A 35 35.687 3.477 4.607 1.00 16.70 C ATOM 515 CD2 LEU A 35 36.876 5.530 5.362 1.00 23.02 C ATOM 516 HA LEU A 35 39.166 5.839 4.007 1.00 0.00 H ATOM 517 HB2 LEU A 35 37.741 3.427 2.830 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.445 3.567 4.458 1.00 0.00 H ATOM 519 HG LEU A 35 36.086 5.157 3.399 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.403 4.976 6.139 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.490 6.367 5.031 1.00 0.00 H ATOM 522 HD23 LEU A 35 35.932 5.904 5.758 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.490 2.838 3.746 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.168 2.893 5.392 1.00 0.00 H ATOM 525 HD13 LEU A 35 34.748 3.885 4.980 1.00 0.00 H ATOM 526 H LEU A 35 37.516 5.651 1.527 1.00 0.00 H ATOM 527 N THR A 36 40.428 5.020 1.311 1.00 22.02 N ATOM 528 CA THR A 36 41.623 4.557 0.605 1.00 21.39 C ATOM 529 C THR A 36 42.550 5.718 0.237 1.00 29.89 C ATOM 530 O THR A 36 43.503 5.543 -0.533 1.00 25.71 O ATOM 531 CB THR A 36 41.269 3.763 -0.668 1.00 22.11 C ATOM 532 OG1 THR A 36 40.719 4.640 -1.660 1.00 21.64 O ATOM 533 CG2 THR A 36 40.257 2.662 -0.350 1.00 26.66 C ATOM 534 HA THR A 36 42.145 3.894 1.296 1.00 0.00 H ATOM 535 HB THR A 36 42.182 3.308 -1.051 1.00 0.00 H ATOM 536 HG1 THR A 36 39.899 5.066 -1.304 1.00 0.00 H ATOM 537 HG23 THR A 36 40.674 1.994 0.404 1.00 0.00 H ATOM 538 HG21 THR A 36 39.339 3.112 0.028 1.00 0.00 H ATOM 539 HG22 THR A 36 40.039 2.097 -1.257 1.00 0.00 H ATOM 540 H THR A 36 39.796 5.696 0.835 1.00 0.00 H ATOM 541 N LYS A 37 42.274 6.895 0.799 1.00 30.43 N ATOM 542 CA LYS A 37 42.987 8.119 0.427 1.00 33.98 C ATOM 543 C LYS A 37 44.477 8.084 0.783 1.00 34.96 C ATOM 544 O LYS A 37 45.324 8.328 -0.078 1.00 34.11 O ATOM 545 CB LYS A 37 42.323 9.349 1.062 1.00 37.51 C ATOM 546 CG LYS A 37 42.847 10.683 0.530 1.00 47.95 C ATOM 547 CD LYS A 37 42.483 11.838 1.453 1.00 54.40 C ATOM 548 CE LYS A 37 43.658 12.802 1.616 1.00 53.25 C ATOM 549 NZ LYS A 37 43.323 13.979 2.473 1.00 58.66 N ATOM 550 HA LYS A 37 42.923 8.188 -0.659 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.252 9.299 0.867 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.498 9.316 2.137 1.00 0.00 H ATOM 553 HG2 LYS A 37 43.932 10.628 0.444 1.00 0.00 H ATOM 554 HG3 LYS A 37 42.414 10.866 -0.454 1.00 0.00 H ATOM 555 HD2 LYS A 37 41.635 12.378 1.031 1.00 0.00 H ATOM 556 HD3 LYS A 37 42.210 11.441 2.430 1.00 0.00 H ATOM 557 HE2 LYS A 37 43.954 13.161 0.630 1.00 0.00 H ATOM 558 HE3 LYS A 37 44.490 12.264 2.071 1.00 0.00 H ATOM 559 HZ1 LYS A 37 42.535 14.505 2.044 1.00 0.00 H ATOM 560 HZ2 LYS A 37 43.047 13.649 3.420 1.00 0.00 H ATOM 561 HZ3 LYS A 37 44.155 14.599 2.549 1.00 0.00 H ATOM 562 H LYS A 37 41.530 6.946 1.524 1.00 0.00 H ATOM 563 N ASP A 38 44.788 7.774 2.042 1.00 29.74 N ATOM 564 CA ASP A 38 46.165 7.812 2.538 1.00 33.61 C ATOM 565 C ASP A 38 46.845 6.445 2.545 1.00 36.39 C ATOM 566 O ASP A 38 48.044 6.334 2.271 1.00 36.19 O ATOM 567 CB ASP A 38 46.203 8.408 3.947 1.00 37.18 C ATOM 568 CG ASP A 38 45.696 9.836 3.991 1.00 48.18 C ATOM 569 OD1 ASP A 38 45.918 10.579 3.010 1.00 40.47 O ATOM 570 OD2 ASP A 38 45.072 10.210 5.010 1.00 54.78 O ATOM 571 HA ASP A 38 46.722 8.441 1.844 1.00 0.00 H ATOM 572 HB2 ASP A 38 45.582 7.797 4.602 1.00 0.00 H ATOM 573 HB3 ASP A 38 47.232 8.392 4.305 1.00 0.00 H ATOM 574 H ASP A 38 44.027 7.496 2.694 1.00 0.00 H ATOM 575 N ARG A 39 46.076 5.418 2.897 1.00 33.68 N ATOM 576 CA ARG A 39 46.508 4.028 2.796 1.00 24.93 C ATOM 577 C ARG A 39 45.255 3.229 2.482 1.00 30.59 C ATOM 578 O ARG A 39 44.166 3.798 2.374 1.00 28.80 O ATOM 579 CB ARG A 39 47.087 3.530 4.111 1.00 24.38 C ATOM 580 CG ARG A 39 46.073 3.563 5.241 1.00 26.81 C ATOM 581 CD ARG A 39 46.431 2.683 6.416 1.00 32.15 C ATOM 582 NE ARG A 39 45.372 2.782 7.416 1.00 33.64 N ATOM 583 CZ ARG A 39 45.237 1.991 8.474 1.00 34.21 C ATOM 584 NH1 ARG A 39 44.225 2.184 9.307 1.00 31.25 N ATOM 585 NH2 ARG A 39 46.104 1.014 8.698 1.00 37.54 N ATOM 586 HA ARG A 39 47.282 3.924 2.036 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.428 2.504 3.977 1.00 0.00 H ATOM 588 HB3 ARG A 39 47.934 4.161 4.382 1.00 0.00 H ATOM 589 HG2 ARG A 39 45.988 4.590 5.595 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.111 3.235 4.848 1.00 0.00 H ATOM 591 HD2 ARG A 39 47.376 3.014 6.848 1.00 0.00 H ATOM 592 HD3 ARG A 39 46.527 1.649 6.084 1.00 0.00 H ATOM 593 HE ARG A 39 44.665 3.534 7.289 1.00 0.00 H ATOM 594 HH12 ARG A 39 44.111 1.569 10.138 1.00 0.00 H ATOM 595 HH11 ARG A 39 43.544 2.950 9.130 1.00 0.00 H ATOM 596 HH22 ARG A 39 45.991 0.399 9.529 1.00 0.00 H ATOM 597 HH21 ARG A 39 46.897 0.862 8.043 1.00 0.00 H ATOM 598 H ARG A 39 45.122 5.615 3.261 1.00 0.00 H ATOM 599 N CYS A 40 45.398 1.919 2.332 1.00 26.79 N ATOM 600 CA CYS A 40 44.223 1.059 2.263 1.00 24.91 C ATOM 601 C CYS A 40 43.778 0.741 3.686 1.00 23.90 C ATOM 602 O CYS A 40 44.485 0.038 4.417 1.00 24.16 O ATOM 603 CB CYS A 40 44.543 -0.230 1.509 1.00 23.87 C ATOM 604 SG CYS A 40 45.042 0.029 -0.216 1.00 26.83 S ATOM 605 HA CYS A 40 43.424 1.570 1.725 1.00 0.00 H ATOM 606 HB2 CYS A 40 43.655 -0.862 1.518 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.355 -0.739 2.028 1.00 0.00 H ATOM 608 H CYS A 40 46.350 1.505 2.264 1.00 0.00 H ATOM 609 N LYS A 41 42.624 1.267 4.099 1.00 24.81 N ATOM 610 CA LYS A 41 42.099 0.894 5.410 1.00 18.30 C ATOM 611 C LYS A 41 41.821 -0.600 5.351 1.00 17.88 C ATOM 612 O LYS A 41 41.064 -1.056 4.491 1.00 17.74 O ATOM 613 CB LYS A 41 40.819 1.660 5.758 1.00 19.11 C ATOM 614 CG LYS A 41 40.356 1.408 7.199 1.00 19.31 C ATOM 615 CD LYS A 41 39.123 2.228 7.567 1.00 17.79 C ATOM 616 CE LYS A 41 38.682 1.913 8.993 1.00 23.44 C ATOM 617 NZ LYS A 41 37.421 2.617 9.383 1.00 17.97 N ATOM 618 HA LYS A 41 42.821 1.143 6.187 1.00 0.00 H ATOM 619 HB2 LYS A 41 41.004 2.727 5.632 1.00 0.00 H ATOM 620 HB3 LYS A 41 40.028 1.347 5.077 1.00 0.00 H ATOM 621 HG2 LYS A 41 40.119 0.350 7.311 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.167 1.671 7.878 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.361 3.289 7.490 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.313 1.988 6.879 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.475 2.215 9.677 1.00 0.00 H ATOM 626 HE3 LYS A 41 38.521 0.838 9.078 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.564 3.645 9.315 1.00 0.00 H ATOM 628 HZ2 LYS A 41 36.653 2.330 8.743 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.172 2.364 10.361 1.00 0.00 H ATOM 630 H LYS A 41 42.104 1.935 3.495 1.00 0.00 H ATOM 631 N PRO A 42 42.450 -1.372 6.247 1.00 16.37 N ATOM 632 CA PRO A 42 42.463 -2.840 6.168 1.00 20.33 C ATOM 633 C PRO A 42 41.081 -3.499 6.329 1.00 22.65 C ATOM 634 O PRO A 42 40.765 -4.443 5.597 1.00 20.88 O ATOM 635 CB PRO A 42 43.378 -3.246 7.329 1.00 22.79 C ATOM 636 CG PRO A 42 44.213 -2.029 7.609 1.00 25.50 C ATOM 637 CD PRO A 42 43.305 -0.870 7.339 1.00 25.36 C ATOM 638 HA PRO A 42 42.796 -3.169 5.183 1.00 0.00 H ATOM 639 HD3 PRO A 42 42.712 -0.622 8.220 1.00 0.00 H ATOM 640 HD2 PRO A 42 43.870 0.007 7.024 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.081 -1.999 6.950 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.546 -2.022 8.647 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.789 -3.517 8.205 1.00 0.00 H ATOM 644 HB3 PRO A 42 44.010 -4.087 7.043 1.00 0.00 H ATOM 645 N VAL A 43 40.286 -3.018 7.281 1.00 14.64 N ATOM 646 CA VAL A 43 38.976 -3.596 7.589 1.00 11.04 C ATOM 647 C VAL A 43 37.973 -2.471 7.830 1.00 15.95 C ATOM 648 O VAL A 43 38.298 -1.476 8.479 1.00 16.43 O ATOM 649 CB VAL A 43 39.034 -4.478 8.862 1.00 19.84 C ATOM 650 CG1 VAL A 43 37.646 -5.001 9.228 1.00 25.93 C ATOM 651 CG2 VAL A 43 40.000 -5.637 8.674 1.00 22.60 C ATOM 652 HA VAL A 43 38.674 -4.214 6.744 1.00 0.00 H ATOM 653 HB VAL A 43 39.395 -3.856 9.681 1.00 0.00 H ATOM 654 HG11 VAL A 43 36.980 -4.159 9.415 1.00 0.00 H ATOM 655 HG12 VAL A 43 37.256 -5.599 8.405 1.00 0.00 H ATOM 656 HG13 VAL A 43 37.716 -5.617 10.125 1.00 0.00 H ATOM 657 HG21 VAL A 43 39.670 -6.251 7.836 1.00 0.00 H ATOM 658 HG22 VAL A 43 40.998 -5.248 8.470 1.00 0.00 H ATOM 659 HG23 VAL A 43 40.022 -6.241 9.581 1.00 0.00 H ATOM 660 H VAL A 43 40.609 -2.196 7.830 1.00 0.00 H ATOM 661 N ASN A 44 36.760 -2.617 7.302 1.00 12.13 N ATOM 662 CA ASN A 44 35.714 -1.624 7.534 1.00 8.05 C ATOM 663 C ASN A 44 34.331 -2.195 7.274 1.00 11.36 C ATOM 664 O ASN A 44 34.139 -2.942 6.324 1.00 14.54 O ATOM 665 CB ASN A 44 35.934 -0.396 6.651 1.00 8.67 C ATOM 666 CG ASN A 44 34.984 0.738 6.980 1.00 10.33 C ATOM 667 OD1 ASN A 44 35.160 1.432 7.988 1.00 13.06 O ATOM 668 ND2 ASN A 44 33.991 0.957 6.114 1.00 11.02 N ATOM 669 HA ASN A 44 35.773 -1.333 8.583 1.00 0.00 H ATOM 670 HB2 ASN A 44 36.957 -0.046 6.789 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.787 -0.684 5.610 1.00 0.00 H ATOM 672 HD22 ASN A 44 33.884 0.345 5.280 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.325 1.739 6.274 1.00 0.00 H ATOM 674 H ASN A 44 36.554 -3.451 6.715 1.00 0.00 H ATOM 675 N THR A 45 33.362 -1.818 8.100 1.00 9.14 N ATOM 676 CA THR A 45 32.014 -2.368 7.978 1.00 7.58 C ATOM 677 C THR A 45 31.006 -1.271 7.650 1.00 7.83 C ATOM 678 O THR A 45 31.050 -0.191 8.237 1.00 5.97 O ATOM 679 CB THR A 45 31.598 -3.066 9.289 1.00 6.57 C ATOM 680 OG1 THR A 45 32.461 -4.185 9.527 1.00 11.81 O ATOM 681 CG2 THR A 45 30.143 -3.537 9.213 1.00 11.11 C ATOM 682 HA THR A 45 32.023 -3.095 7.166 1.00 0.00 H ATOM 683 HB THR A 45 31.686 -2.354 10.110 1.00 0.00 H ATOM 684 HG1 THR A 45 32.387 -4.823 8.774 1.00 0.00 H ATOM 685 HG23 THR A 45 29.494 -2.680 9.032 1.00 0.00 H ATOM 686 HG21 THR A 45 30.036 -4.254 8.399 1.00 0.00 H ATOM 687 HG22 THR A 45 29.866 -4.011 10.155 1.00 0.00 H ATOM 688 H THR A 45 33.566 -1.121 8.845 1.00 0.00 H ATOM 689 N PHE A 46 30.129 -1.530 6.677 1.00 6.77 N ATOM 690 CA PHE A 46 29.033 -0.625 6.366 1.00 6.51 C ATOM 691 C PHE A 46 27.737 -1.230 6.869 1.00 7.01 C ATOM 692 O PHE A 46 27.520 -2.437 6.738 1.00 10.93 O ATOM 693 CB PHE A 46 28.950 -0.377 4.852 1.00 7.70 C ATOM 694 CG PHE A 46 30.135 0.383 4.292 1.00 8.98 C ATOM 695 CD1 PHE A 46 30.176 1.774 4.363 1.00 10.39 C ATOM 696 CD2 PHE A 46 31.205 -0.292 3.707 1.00 9.66 C ATOM 697 CE1 PHE A 46 31.258 2.489 3.857 1.00 10.85 C ATOM 698 CE2 PHE A 46 32.304 0.425 3.195 1.00 8.37 C ATOM 699 CZ PHE A 46 32.315 1.813 3.267 1.00 13.64 C ATOM 700 HA PHE A 46 29.206 0.333 6.856 1.00 0.00 H ATOM 701 HB2 PHE A 46 28.891 -1.342 4.348 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.046 0.195 4.646 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.191 -1.380 3.645 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.142 -0.106 2.744 1.00 0.00 H ATOM 705 HZ PHE A 46 33.157 2.372 2.858 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.274 3.577 3.924 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.347 2.312 4.823 1.00 0.00 H ATOM 708 H PHE A 46 30.232 -2.405 6.125 1.00 0.00 H ATOM 709 N VAL A 47 26.886 -0.396 7.459 1.00 7.63 N ATOM 710 CA VAL A 47 25.610 -0.867 8.005 1.00 11.02 C ATOM 711 C VAL A 47 24.465 -0.369 7.127 1.00 8.82 C ATOM 712 O VAL A 47 24.352 0.845 6.862 1.00 9.75 O ATOM 713 CB VAL A 47 25.393 -0.367 9.441 1.00 9.73 C ATOM 714 CG1 VAL A 47 24.075 -0.915 10.023 1.00 8.85 C ATOM 715 CG2 VAL A 47 26.569 -0.773 10.323 1.00 7.19 C ATOM 716 HA VAL A 47 25.633 -1.957 8.019 1.00 0.00 H ATOM 717 HB VAL A 47 25.327 0.721 9.417 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.241 -0.582 9.406 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.109 -2.004 10.033 1.00 0.00 H ATOM 720 HG13 VAL A 47 23.947 -0.545 11.040 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.657 -1.859 10.332 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.486 -0.337 9.927 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.402 -0.412 11.338 1.00 0.00 H ATOM 724 H VAL A 47 27.131 0.612 7.535 1.00 0.00 H ATOM 725 N HIS A 48 23.619 -1.309 6.703 1.00 10.77 N ATOM 726 CA HIS A 48 22.461 -1.029 5.859 1.00 13.87 C ATOM 727 C HIS A 48 21.183 -1.094 6.684 1.00 14.16 C ATOM 728 O HIS A 48 20.363 -2.009 6.514 1.00 18.04 O ATOM 729 CB HIS A 48 22.347 -2.061 4.740 1.00 12.08 C ATOM 730 CG HIS A 48 23.649 -2.393 4.071 1.00 13.95 C ATOM 731 ND1 HIS A 48 24.346 -1.487 3.301 1.00 17.11 N ATOM 732 CD2 HIS A 48 24.359 -3.543 4.037 1.00 10.88 C ATOM 733 CE1 HIS A 48 25.440 -2.061 2.833 1.00 15.70 C ATOM 734 NE2 HIS A 48 25.473 -3.312 3.263 1.00 12.41 N ATOM 735 HA HIS A 48 22.593 -0.033 5.436 1.00 0.00 H ATOM 736 HB2 HIS A 48 21.936 -2.978 5.162 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.664 -1.672 3.985 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.098 -4.479 4.531 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.189 -1.585 2.200 1.00 0.00 H ATOM 740 H HIS A 48 23.793 -2.294 6.989 1.00 0.00 H ATOM 741 N GLU A 49 21.052 -0.160 7.615 1.00 12.45 N ATOM 742 CA GLU A 49 19.824 0.060 8.354 1.00 12.16 C ATOM 743 C GLU A 49 19.716 1.564 8.378 1.00 9.89 C ATOM 744 O GLU A 49 20.651 2.255 7.960 1.00 12.70 O ATOM 745 CB GLU A 49 19.937 -0.490 9.789 1.00 13.14 C ATOM 746 CG GLU A 49 20.197 -1.992 9.891 1.00 11.01 C ATOM 747 CD GLU A 49 19.048 -2.857 9.390 1.00 14.21 C ATOM 748 OE1 GLU A 49 17.912 -2.344 9.238 1.00 16.67 O ATOM 749 OE2 GLU A 49 19.290 -4.065 9.149 1.00 14.05 O ATOM 750 HA GLU A 49 18.962 -0.437 7.909 1.00 0.00 H ATOM 751 HB2 GLU A 49 20.757 0.029 10.286 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.003 -0.273 10.308 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.084 -2.227 9.303 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.380 -2.238 10.937 1.00 0.00 H ATOM 755 H GLU A 49 21.871 0.445 7.826 1.00 0.00 H ATOM 756 N SER A 50 18.585 2.086 8.845 1.00 11.67 N ATOM 757 CA SER A 50 18.390 3.521 8.891 1.00 12.92 C ATOM 758 C SER A 50 19.331 4.149 9.896 1.00 13.20 C ATOM 759 O SER A 50 19.774 3.493 10.838 1.00 12.25 O ATOM 760 CB SER A 50 16.947 3.873 9.248 1.00 13.89 C ATOM 761 OG SER A 50 16.655 3.564 10.606 1.00 15.16 O ATOM 762 HA SER A 50 18.606 3.916 7.898 1.00 0.00 H ATOM 763 HB2 SER A 50 16.274 3.307 8.603 1.00 0.00 H ATOM 764 HB3 SER A 50 16.792 4.940 9.086 1.00 0.00 H ATOM 765 HG SER A 50 15.715 3.804 10.803 1.00 0.00 H ATOM 766 H SER A 50 17.830 1.455 9.182 1.00 0.00 H ATOM 767 N LEU A 51 19.650 5.421 9.696 1.00 12.24 N ATOM 768 CA LEU A 51 20.458 6.139 10.671 1.00 12.17 C ATOM 769 C LEU A 51 19.778 6.163 12.034 1.00 12.70 C ATOM 770 O LEU A 51 20.451 6.093 13.061 1.00 11.91 O ATOM 771 CB LEU A 51 20.754 7.563 10.199 1.00 16.72 C ATOM 772 CG LEU A 51 21.576 8.407 11.164 1.00 13.25 C ATOM 773 CD1 LEU A 51 22.985 7.837 11.369 1.00 14.20 C ATOM 774 CD2 LEU A 51 21.662 9.857 10.715 1.00 17.75 C ATOM 775 HA LEU A 51 21.404 5.607 10.769 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.299 7.500 9.257 1.00 0.00 H ATOM 777 HB3 LEU A 51 19.803 8.069 10.034 1.00 0.00 H ATOM 778 HG LEU A 51 21.053 8.374 12.120 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.132 9.905 9.733 1.00 0.00 H ATOM 780 HD22 LEU A 51 20.659 10.279 10.660 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.257 10.423 11.432 1.00 0.00 H ATOM 782 HD11 LEU A 51 22.912 6.828 11.775 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.506 7.808 10.412 1.00 0.00 H ATOM 784 HD13 LEU A 51 23.535 8.471 12.065 1.00 0.00 H ATOM 785 H LEU A 51 19.321 5.908 8.838 1.00 0.00 H ATOM 786 N ALA A 52 18.449 6.262 12.057 1.00 14.89 N ATOM 787 CA ALA A 52 17.750 6.252 13.339 1.00 15.36 C ATOM 788 C ALA A 52 17.970 4.925 14.068 1.00 10.46 C ATOM 789 O ALA A 52 18.198 4.914 15.295 1.00 13.00 O ATOM 790 CB ALA A 52 16.268 6.530 13.149 1.00 22.01 C ATOM 791 HA ALA A 52 18.164 7.048 13.958 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.140 7.508 12.686 1.00 0.00 H ATOM 793 HB2 ALA A 52 15.835 5.763 12.507 1.00 0.00 H ATOM 794 HB3 ALA A 52 15.770 6.517 14.118 1.00 0.00 H ATOM 795 H ALA A 52 17.914 6.346 11.169 1.00 0.00 H ATOM 796 N ASP A 53 17.910 3.812 13.336 1.00 10.95 N ATOM 797 CA ASP A 53 18.062 2.495 13.956 1.00 11.64 C ATOM 798 C ASP A 53 19.484 2.307 14.505 1.00 15.35 C ATOM 799 O ASP A 53 19.673 1.757 15.602 1.00 9.42 O ATOM 800 CB ASP A 53 17.692 1.371 12.978 1.00 11.17 C ATOM 801 CG ASP A 53 16.194 1.174 12.848 1.00 16.53 C ATOM 802 OD1 ASP A 53 15.432 1.855 13.566 1.00 19.63 O ATOM 803 OD2 ASP A 53 15.777 0.323 12.032 1.00 17.32 O ATOM 804 HA ASP A 53 17.369 2.441 14.795 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.098 1.616 11.996 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.136 0.441 13.332 1.00 0.00 H ATOM 807 H ASP A 53 17.753 3.881 12.310 1.00 0.00 H ATOM 808 N VAL A 54 20.480 2.767 13.752 1.00 11.08 N ATOM 809 CA VAL A 54 21.861 2.666 14.217 1.00 10.07 C ATOM 810 C VAL A 54 22.142 3.607 15.399 1.00 9.87 C ATOM 811 O VAL A 54 22.792 3.218 16.381 1.00 9.35 O ATOM 812 CB VAL A 54 22.842 2.840 13.051 1.00 8.82 C ATOM 813 CG1 VAL A 54 24.288 2.741 13.540 1.00 12.08 C ATOM 814 CG2 VAL A 54 22.561 1.770 12.015 1.00 8.56 C ATOM 815 HA VAL A 54 22.017 1.661 14.608 1.00 0.00 H ATOM 816 HB VAL A 54 22.708 3.827 12.608 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.475 3.522 14.277 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.450 1.764 13.994 1.00 0.00 H ATOM 819 HG13 VAL A 54 24.965 2.868 12.695 1.00 0.00 H ATOM 820 HG21 VAL A 54 22.692 0.786 12.466 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.537 1.873 11.656 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.253 1.884 11.180 1.00 0.00 H ATOM 823 H VAL A 54 20.274 3.200 12.829 1.00 0.00 H ATOM 824 N GLN A 55 21.616 4.828 15.348 1.00 8.41 N ATOM 825 CA GLN A 55 21.770 5.742 16.479 1.00 9.52 C ATOM 826 C GLN A 55 21.122 5.163 17.726 1.00 11.78 C ATOM 827 O GLN A 55 21.624 5.355 18.835 1.00 10.86 O ATOM 828 CB GLN A 55 21.169 7.103 16.168 1.00 10.45 C ATOM 829 CG GLN A 55 22.007 7.908 15.178 1.00 11.64 C ATOM 830 CD GLN A 55 21.313 9.167 14.716 1.00 9.81 C ATOM 831 OE1 GLN A 55 20.076 9.248 14.713 1.00 14.37 O ATOM 832 NE2 GLN A 55 22.102 10.160 14.306 1.00 10.06 N ATOM 833 HA GLN A 55 22.837 5.869 16.660 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.175 6.957 15.745 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.088 7.668 17.096 1.00 0.00 H ATOM 836 HG2 GLN A 55 22.946 8.183 15.658 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.214 7.285 14.308 1.00 0.00 H ATOM 838 HE22 GLN A 55 23.135 10.046 14.327 1.00 0.00 H ATOM 839 HE21 GLN A 55 21.684 11.049 13.965 1.00 0.00 H ATOM 840 H GLN A 55 21.094 5.133 14.502 1.00 0.00 H ATOM 841 N ALA A 56 20.027 4.437 17.534 1.00 10.13 N ATOM 842 CA ALA A 56 19.288 3.862 18.662 1.00 10.25 C ATOM 843 C ALA A 56 20.138 2.871 19.454 1.00 10.24 C ATOM 844 O ALA A 56 19.883 2.626 20.636 1.00 10.67 O ATOM 845 CB ALA A 56 18.013 3.195 18.177 1.00 14.39 C ATOM 846 HA ALA A 56 19.028 4.681 19.333 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.384 3.934 17.680 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.265 2.400 17.475 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.478 2.774 19.028 1.00 0.00 H ATOM 850 H ALA A 56 19.687 4.273 16.565 1.00 0.00 H ATOM 851 N VAL A 57 21.159 2.311 18.812 1.00 7.67 N ATOM 852 CA VAL A 57 21.986 1.288 19.450 1.00 6.91 C ATOM 853 C VAL A 57 22.687 1.867 20.685 1.00 7.26 C ATOM 854 O VAL A 57 23.006 1.134 21.625 1.00 7.79 O ATOM 855 CB VAL A 57 22.982 0.665 18.424 1.00 6.78 C ATOM 856 CG1 VAL A 57 23.877 -0.379 19.074 1.00 8.92 C ATOM 857 CG2 VAL A 57 22.194 -0.020 17.306 1.00 6.06 C ATOM 858 HA VAL A 57 21.350 0.474 19.797 1.00 0.00 H ATOM 859 HB VAL A 57 23.603 1.472 18.035 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.453 0.086 19.874 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.261 -1.179 19.485 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.556 -0.789 18.327 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.569 -0.805 17.732 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.564 0.715 16.804 1.00 0.00 H ATOM 865 HG23 VAL A 57 22.889 -0.456 16.588 1.00 0.00 H ATOM 866 H VAL A 57 21.373 2.606 17.838 1.00 0.00 H ATOM 867 N CYS A 58 22.861 3.187 20.719 1.00 5.30 N ATOM 868 CA CYS A 58 23.556 3.826 21.836 1.00 8.15 C ATOM 869 C CYS A 58 22.749 3.766 23.120 1.00 7.16 C ATOM 870 O CYS A 58 23.274 4.092 24.185 1.00 7.95 O ATOM 871 CB CYS A 58 23.901 5.295 21.537 1.00 8.89 C ATOM 872 SG CYS A 58 25.109 5.526 20.209 1.00 9.17 S ATOM 873 HA CYS A 58 24.479 3.262 21.968 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.304 5.742 22.446 1.00 0.00 H ATOM 875 HB3 CYS A 58 22.983 5.810 21.256 1.00 0.00 H ATOM 876 H CYS A 58 22.497 3.772 19.940 1.00 0.00 H ATOM 877 N SER A 59 21.487 3.353 23.028 1.00 9.53 N ATOM 878 CA SER A 59 20.641 3.210 24.213 1.00 10.78 C ATOM 879 C SER A 59 20.286 1.744 24.455 1.00 9.64 C ATOM 880 O SER A 59 19.426 1.422 25.288 1.00 10.79 O ATOM 881 CB SER A 59 19.359 4.020 24.028 1.00 13.81 C ATOM 882 OG SER A 59 18.486 3.332 23.146 1.00 18.41 O ATOM 883 HA SER A 59 21.193 3.581 25.077 1.00 0.00 H ATOM 884 HB2 SER A 59 19.603 4.996 23.609 1.00 0.00 H ATOM 885 HB3 SER A 59 18.870 4.152 24.993 1.00 0.00 H ATOM 886 HG SER A 59 18.931 3.213 22.270 1.00 0.00 H ATOM 887 H SER A 59 21.093 3.127 22.092 1.00 0.00 H ATOM 888 N GLN A 60 20.959 0.854 23.732 1.00 6.38 N ATOM 889 CA GLN A 60 20.693 -0.585 23.816 1.00 7.76 C ATOM 890 C GLN A 60 21.674 -1.311 24.760 1.00 7.61 C ATOM 891 O GLN A 60 21.928 -0.808 25.850 1.00 9.96 O ATOM 892 CB GLN A 60 20.581 -1.180 22.409 1.00 7.94 C ATOM 893 CG GLN A 60 19.425 -0.498 21.637 1.00 8.60 C ATOM 894 CD GLN A 60 19.126 -1.047 20.240 1.00 8.27 C ATOM 895 OE1 GLN A 60 19.617 -2.109 19.829 1.00 9.21 O ATOM 896 NE2 GLN A 60 18.301 -0.309 19.499 1.00 12.65 N ATOM 897 HA GLN A 60 19.724 -0.745 24.290 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.517 -1.020 21.874 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.384 -2.250 22.483 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.520 -0.601 22.235 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.672 0.558 21.533 1.00 0.00 H ATOM 902 HE22 GLN A 60 17.910 0.576 19.881 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.048 -0.618 18.539 1.00 0.00 H ATOM 904 H GLN A 60 21.700 1.191 23.084 1.00 0.00 H ATOM 905 N LYS A 61 22.216 -2.466 24.377 1.00 6.99 N ATOM 906 CA LYS A 61 22.912 -3.285 25.374 1.00 8.50 C ATOM 907 C LYS A 61 24.351 -2.825 25.612 1.00 7.67 C ATOM 908 O LYS A 61 25.195 -2.974 24.754 1.00 7.32 O ATOM 909 CB LYS A 61 22.911 -4.773 25.011 1.00 7.69 C ATOM 910 CG LYS A 61 23.666 -5.603 26.045 1.00 10.47 C ATOM 911 CD LYS A 61 23.845 -7.048 25.627 1.00 16.88 C ATOM 912 CE LYS A 61 24.438 -7.828 26.803 1.00 27.47 C ATOM 913 NZ LYS A 61 24.567 -9.286 26.537 1.00 31.40 N ATOM 914 HA LYS A 61 22.348 -3.149 26.297 1.00 0.00 H ATOM 915 HB2 LYS A 61 21.880 -5.124 24.959 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.387 -4.901 24.039 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.650 -5.160 26.195 1.00 0.00 H ATOM 918 HG3 LYS A 61 23.111 -5.578 26.983 1.00 0.00 H ATOM 919 HD2 LYS A 61 22.879 -7.474 25.354 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.520 -7.102 24.773 1.00 0.00 H ATOM 921 HE2 LYS A 61 23.793 -7.690 27.671 1.00 0.00 H ATOM 922 HE3 LYS A 61 25.428 -7.427 27.021 1.00 0.00 H ATOM 923 HZ1 LYS A 61 23.628 -9.685 26.337 1.00 0.00 H ATOM 924 HZ2 LYS A 61 25.189 -9.434 25.717 1.00 0.00 H ATOM 925 HZ3 LYS A 61 24.974 -9.755 27.371 1.00 0.00 H ATOM 926 H LYS A 61 22.147 -2.781 23.388 1.00 0.00 H ATOM 927 N ASN A 62 24.624 -2.294 26.799 1.00 9.55 N ATOM 928 CA ASN A 62 25.967 -1.812 27.137 1.00 8.38 C ATOM 929 C ASN A 62 26.932 -3.002 27.269 1.00 10.28 C ATOM 930 O ASN A 62 26.669 -3.945 28.040 1.00 8.93 O ATOM 931 CB ASN A 62 25.890 -0.993 28.430 1.00 8.75 C ATOM 932 CG ASN A 62 27.183 -0.239 28.762 1.00 9.35 C ATOM 933 OD1 ASN A 62 27.433 0.069 29.930 1.00 9.04 O ATOM 934 ND2 ASN A 62 27.982 0.091 27.754 1.00 6.65 N ATOM 935 HA ASN A 62 26.351 -1.169 26.345 1.00 0.00 H ATOM 936 HB2 ASN A 62 25.084 -0.266 28.329 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.666 -1.671 29.254 1.00 0.00 H ATOM 938 HD22 ASN A 62 27.736 -0.188 26.783 1.00 0.00 H ATOM 939 HD21 ASN A 62 28.854 0.628 27.936 1.00 0.00 H ATOM 940 H ASN A 62 23.866 -2.218 27.507 1.00 0.00 H ATOM 941 N VAL A 63 28.024 -2.967 26.498 1.00 4.96 N ATOM 942 CA VAL A 63 29.053 -4.009 26.532 1.00 7.06 C ATOM 943 C VAL A 63 30.441 -3.378 26.536 1.00 7.77 C ATOM 944 O VAL A 63 30.604 -2.243 26.117 1.00 7.32 O ATOM 945 CB VAL A 63 28.945 -4.979 25.319 1.00 7.74 C ATOM 946 CG1 VAL A 63 27.587 -5.711 25.301 1.00 6.71 C ATOM 947 CG2 VAL A 63 29.162 -4.247 24.007 1.00 7.23 C ATOM 948 HA VAL A 63 28.895 -4.583 27.445 1.00 0.00 H ATOM 949 HB VAL A 63 29.733 -5.723 25.433 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.475 -6.290 26.218 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.782 -4.979 25.232 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.547 -6.379 24.441 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.407 -3.468 23.898 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.154 -3.796 24.004 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.080 -4.953 23.181 1.00 0.00 H ATOM 956 H VAL A 63 28.148 -2.166 25.846 1.00 0.00 H ATOM 957 N ALA A 64 31.446 -4.123 26.986 1.00 5.23 N ATOM 958 CA ALA A 64 32.819 -3.604 26.975 1.00 5.36 C ATOM 959 C ALA A 64 33.300 -3.441 25.534 1.00 6.54 C ATOM 960 O ALA A 64 33.037 -4.300 24.683 1.00 7.04 O ATOM 961 CB ALA A 64 33.744 -4.541 27.748 1.00 8.42 C ATOM 962 HA ALA A 64 32.836 -2.629 27.462 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.400 -4.620 28.779 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.731 -5.527 27.283 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.759 -4.143 27.731 1.00 0.00 H ATOM 966 H ALA A 64 31.258 -5.080 27.348 1.00 0.00 H ATOM 967 N CYS A 65 33.981 -2.330 25.248 1.00 7.07 N ATOM 968 CA CYS A 65 34.668 -2.153 23.968 1.00 5.13 C ATOM 969 C CYS A 65 35.926 -3.006 23.932 1.00 5.04 C ATOM 970 O CYS A 65 36.497 -3.318 24.976 1.00 6.02 O ATOM 971 CB CYS A 65 35.105 -0.704 23.770 1.00 6.31 C ATOM 972 SG CYS A 65 33.800 0.508 23.904 1.00 6.56 S ATOM 973 HA CYS A 65 33.968 -2.443 23.184 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.546 -0.617 22.777 1.00 0.00 H ATOM 975 HB3 CYS A 65 35.859 -0.473 24.522 1.00 0.00 H ATOM 976 H CYS A 65 34.025 -1.568 25.955 1.00 0.00 H ATOM 977 N LYS A 66 36.367 -3.347 22.728 1.00 7.14 N ATOM 978 CA LYS A 66 37.584 -4.146 22.564 1.00 6.86 C ATOM 979 C LYS A 66 38.788 -3.495 23.230 1.00 8.90 C ATOM 980 O LYS A 66 39.659 -4.187 23.757 1.00 10.30 O ATOM 981 CB LYS A 66 37.865 -4.405 21.082 1.00 9.31 C ATOM 982 CG LYS A 66 37.059 -5.545 20.498 1.00 9.97 C ATOM 983 CD LYS A 66 37.172 -5.555 18.971 1.00 12.82 C ATOM 984 CE LYS A 66 36.439 -6.753 18.377 1.00 21.15 C ATOM 985 NZ LYS A 66 36.809 -6.970 16.941 1.00 31.96 N ATOM 986 HA LYS A 66 37.413 -5.101 23.061 1.00 0.00 H ATOM 987 HB2 LYS A 66 37.632 -3.498 20.524 1.00 0.00 H ATOM 988 HB3 LYS A 66 38.924 -4.638 20.968 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.435 -6.489 20.892 1.00 0.00 H ATOM 990 HG3 LYS A 66 36.013 -5.426 20.780 1.00 0.00 H ATOM 991 HD2 LYS A 66 36.736 -4.638 18.575 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.224 -5.606 18.691 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.365 -6.579 18.443 1.00 0.00 H ATOM 994 HE3 LYS A 66 36.698 -7.645 18.948 1.00 0.00 H ATOM 995 HZ1 LYS A 66 36.560 -6.125 16.388 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.832 -7.142 16.870 1.00 0.00 H ATOM 997 HZ3 LYS A 66 36.291 -7.793 16.571 1.00 0.00 H ATOM 998 H LYS A 66 35.839 -3.042 21.885 1.00 0.00 H ATOM 999 N ASN A 67 38.832 -2.169 23.238 1.00 11.43 N ATOM 1000 CA ASN A 67 39.945 -1.480 23.881 1.00 11.40 C ATOM 1001 C ASN A 67 39.807 -1.334 25.393 1.00 9.58 C ATOM 1002 O ASN A 67 40.655 -0.707 26.037 1.00 14.43 O ATOM 1003 CB ASN A 67 40.169 -0.095 23.269 1.00 10.09 C ATOM 1004 CG ASN A 67 39.018 0.869 23.533 1.00 12.42 C ATOM 1005 OD1 ASN A 67 38.108 0.605 24.324 1.00 9.50 O ATOM 1006 ND2 ASN A 67 39.062 2.012 22.860 1.00 16.73 N ATOM 1007 HA ASN A 67 40.806 -2.123 23.698 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.080 0.328 23.692 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.288 -0.207 22.191 1.00 0.00 H ATOM 1010 HD22 ASN A 67 39.846 2.198 22.202 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.313 2.722 22.991 1.00 0.00 H ATOM 1012 H ASN A 67 38.073 -1.621 22.786 1.00 0.00 H ATOM 1013 N GLY A 68 38.729 -1.866 25.960 1.00 8.66 N ATOM 1014 CA GLY A 68 38.566 -1.836 27.397 1.00 8.24 C ATOM 1015 C GLY A 68 37.700 -0.708 27.925 1.00 9.64 C ATOM 1016 O GLY A 68 37.338 -0.710 29.101 1.00 9.62 O ATOM 1017 HA3 GLY A 68 39.554 -1.742 27.847 1.00 0.00 H ATOM 1018 HA2 GLY A 68 38.116 -2.780 27.705 1.00 0.00 H ATOM 1019 H GLY A 68 37.998 -2.307 25.366 1.00 0.00 H ATOM 1020 N GLN A 69 37.375 0.266 27.078 1.00 8.54 N ATOM 1021 CA GLN A 69 36.492 1.348 27.496 1.00 7.87 C ATOM 1022 C GLN A 69 35.092 0.783 27.681 1.00 10.43 C ATOM 1023 O GLN A 69 34.814 -0.309 27.205 1.00 8.91 O ATOM 1024 CB GLN A 69 36.468 2.454 26.439 1.00 9.91 C ATOM 1025 CG GLN A 69 37.799 3.166 26.277 1.00 12.60 C ATOM 1026 CD GLN A 69 38.221 3.894 27.536 1.00 12.82 C ATOM 1027 OE1 GLN A 69 39.153 3.479 28.227 1.00 14.76 O ATOM 1028 NE2 GLN A 69 37.533 4.990 27.844 1.00 11.69 N ATOM 1029 HA GLN A 69 36.853 1.775 28.432 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.195 2.011 25.481 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.716 3.189 26.725 1.00 0.00 H ATOM 1032 HG2 GLN A 69 38.562 2.429 26.026 1.00 0.00 H ATOM 1033 HG3 GLN A 69 37.713 3.889 25.466 1.00 0.00 H ATOM 1034 HE22 GLN A 69 36.753 5.304 27.231 1.00 0.00 H ATOM 1035 HE21 GLN A 69 37.775 5.533 28.697 1.00 0.00 H ATOM 1036 H GLN A 69 37.754 0.255 26.110 1.00 0.00 H ATOM 1037 N THR A 70 34.222 1.512 28.374 1.00 7.35 N ATOM 1038 CA THR A 70 32.909 0.969 28.754 1.00 7.04 C ATOM 1039 C THR A 70 31.758 1.513 27.928 1.00 7.40 C ATOM 1040 O THR A 70 30.593 1.265 28.250 1.00 10.98 O ATOM 1041 CB THR A 70 32.586 1.240 30.235 1.00 10.82 C ATOM 1042 OG1 THR A 70 32.537 2.652 30.449 1.00 17.34 O ATOM 1043 CG2 THR A 70 33.657 0.644 31.125 1.00 18.51 C ATOM 1044 HA THR A 70 32.998 -0.101 28.566 1.00 0.00 H ATOM 1045 HB THR A 70 31.626 0.785 30.479 1.00 0.00 H ATOM 1046 HG1 THR A 70 31.834 3.047 29.875 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.700 -0.434 30.967 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.621 1.088 30.878 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.417 0.850 32.168 1.00 0.00 H ATOM 1050 H THR A 70 34.474 2.482 28.652 1.00 0.00 H ATOM 1051 N ASN A 71 32.074 2.259 26.876 1.00 6.17 N ATOM 1052 CA ASN A 71 31.035 3.005 26.164 1.00 6.86 C ATOM 1053 C ASN A 71 30.579 2.345 24.877 1.00 6.42 C ATOM 1054 O ASN A 71 30.242 3.027 23.907 1.00 6.28 O ATOM 1055 CB ASN A 71 31.479 4.452 25.880 1.00 6.01 C ATOM 1056 CG ASN A 71 32.705 4.536 24.990 1.00 10.02 C ATOM 1057 OD1 ASN A 71 33.712 3.872 25.226 1.00 9.38 O ATOM 1058 ND2 ASN A 71 32.624 5.371 23.950 1.00 8.28 N ATOM 1059 HA ASN A 71 30.177 3.011 26.836 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.659 4.977 25.391 1.00 0.00 H ATOM 1061 HB3 ASN A 71 31.705 4.938 26.829 1.00 0.00 H ATOM 1062 HD22 ASN A 71 31.753 5.915 23.786 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.432 5.477 23.304 1.00 0.00 H ATOM 1064 H ASN A 71 33.062 2.313 26.557 1.00 0.00 H ATOM 1065 N CYS A 72 30.569 1.017 24.852 1.00 6.25 N ATOM 1066 CA CYS A 72 30.119 0.316 23.650 1.00 6.66 C ATOM 1067 C CYS A 72 28.750 -0.296 23.858 1.00 5.85 C ATOM 1068 O CYS A 72 28.346 -0.585 24.983 1.00 6.87 O ATOM 1069 CB CYS A 72 31.131 -0.745 23.226 1.00 5.93 C ATOM 1070 SG CYS A 72 32.550 -0.010 22.397 1.00 6.58 S ATOM 1071 HA CYS A 72 30.041 1.048 22.846 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.646 -1.445 22.545 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.475 -1.280 24.111 1.00 0.00 H ATOM 1074 H CYS A 72 30.880 0.477 25.685 1.00 0.00 H ATOM 1075 N TYR A 73 28.021 -0.450 22.759 1.00 5.96 N ATOM 1076 CA TYR A 73 26.646 -0.916 22.813 1.00 5.61 C ATOM 1077 C TYR A 73 26.375 -1.894 21.696 1.00 6.12 C ATOM 1078 O TYR A 73 26.775 -1.673 20.546 1.00 5.31 O ATOM 1079 CB TYR A 73 25.692 0.276 22.716 1.00 4.56 C ATOM 1080 CG TYR A 73 25.897 1.233 23.863 1.00 7.09 C ATOM 1081 CD1 TYR A 73 26.874 2.219 23.792 1.00 9.16 C ATOM 1082 CD2 TYR A 73 25.153 1.120 25.036 1.00 11.22 C ATOM 1083 CE1 TYR A 73 27.106 3.066 24.839 1.00 9.98 C ATOM 1084 CE2 TYR A 73 25.383 1.985 26.108 1.00 10.34 C ATOM 1085 CZ TYR A 73 26.369 2.955 25.986 1.00 11.99 C ATOM 1086 OH TYR A 73 26.654 3.845 27.002 1.00 16.82 O ATOM 1087 HA TYR A 73 26.484 -1.426 23.762 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.665 -0.088 22.735 1.00 0.00 H ATOM 1089 HB2 TYR A 73 25.873 0.801 21.778 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.385 0.350 25.117 1.00 0.00 H ATOM 1091 HE2 TYR A 73 24.799 1.900 27.024 1.00 0.00 H ATOM 1092 HE1 TYR A 73 27.879 3.831 24.760 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.467 2.319 22.883 1.00 0.00 H ATOM 1094 HH TYR A 73 27.384 4.449 26.715 1.00 0.00 H ATOM 1095 H TYR A 73 28.445 -0.231 21.835 1.00 0.00 H ATOM 1096 N GLN A 74 25.674 -2.970 22.034 1.00 5.84 N ATOM 1097 CA GLN A 74 25.391 -4.032 21.081 1.00 5.41 C ATOM 1098 C GLN A 74 23.913 -3.981 20.703 1.00 5.16 C ATOM 1099 O GLN A 74 23.046 -3.890 21.569 1.00 7.67 O ATOM 1100 CB GLN A 74 25.713 -5.391 21.710 1.00 6.26 C ATOM 1101 CG GLN A 74 25.337 -6.571 20.828 1.00 9.31 C ATOM 1102 CD GLN A 74 25.868 -7.871 21.385 1.00 11.41 C ATOM 1103 OE1 GLN A 74 27.023 -7.946 21.803 1.00 15.42 O ATOM 1104 NE2 GLN A 74 25.023 -8.895 21.418 1.00 13.57 N ATOM 1105 HA GLN A 74 26.005 -3.897 20.190 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.784 -5.435 21.908 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.167 -5.475 22.650 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.251 -6.632 20.761 1.00 0.00 H ATOM 1109 HG3 GLN A 74 25.753 -6.416 19.832 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.056 -8.783 21.053 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.328 -9.809 21.809 1.00 0.00 H ATOM 1112 H GLN A 74 25.317 -3.056 23.007 1.00 0.00 H ATOM 1113 N SER A 75 23.621 -4.023 19.406 1.00 7.31 N ATOM 1114 CA SER A 75 22.231 -3.995 18.960 1.00 6.59 C ATOM 1115 C SER A 75 21.452 -5.229 19.431 1.00 7.73 C ATOM 1116 O SER A 75 21.964 -6.351 19.392 1.00 8.80 O ATOM 1117 CB SER A 75 22.161 -3.876 17.429 1.00 7.58 C ATOM 1118 OG SER A 75 22.697 -5.024 16.796 1.00 8.38 O ATOM 1119 HA SER A 75 21.763 -3.119 19.410 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.728 -3.000 17.115 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.120 -3.759 17.129 1.00 0.00 H ATOM 1122 HG SER A 75 22.182 -5.823 17.073 1.00 0.00 H ATOM 1123 H SER A 75 24.388 -4.076 18.705 1.00 0.00 H ATOM 1124 N TYR A 76 20.206 -5.019 19.858 1.00 9.02 N ATOM 1125 CA TYR A 76 19.362 -6.123 20.311 1.00 10.80 C ATOM 1126 C TYR A 76 18.938 -6.998 19.128 1.00 12.15 C ATOM 1127 O TYR A 76 18.838 -8.222 19.245 1.00 13.46 O ATOM 1128 CB TYR A 76 18.125 -5.582 21.037 1.00 11.38 C ATOM 1129 CG TYR A 76 18.419 -5.008 22.396 1.00 9.97 C ATOM 1130 CD1 TYR A 76 19.097 -5.754 23.354 1.00 9.45 C ATOM 1131 CD2 TYR A 76 18.026 -3.721 22.724 1.00 9.95 C ATOM 1132 CE1 TYR A 76 19.371 -5.228 24.601 1.00 7.64 C ATOM 1133 CE2 TYR A 76 18.289 -3.192 23.967 1.00 10.37 C ATOM 1134 CZ TYR A 76 18.964 -3.946 24.902 1.00 9.45 C ATOM 1135 OH TYR A 76 19.231 -3.413 26.136 1.00 11.36 O ATOM 1136 HA TYR A 76 19.939 -6.735 21.005 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.412 -6.398 21.156 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.681 -4.799 20.422 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.499 -3.117 21.985 1.00 0.00 H ATOM 1140 HE2 TYR A 76 17.965 -2.180 24.211 1.00 0.00 H ATOM 1141 HE1 TYR A 76 19.905 -5.822 25.342 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.417 -6.769 23.117 1.00 0.00 H ATOM 1143 HH TYR A 76 19.787 -2.601 26.030 1.00 0.00 H ATOM 1144 H TYR A 76 19.827 -4.050 19.869 1.00 0.00 H ATOM 1145 N SER A 77 18.710 -6.360 17.987 1.00 16.04 N ATOM 1146 CA SER A 77 18.348 -7.068 16.767 1.00 14.13 C ATOM 1147 C SER A 77 19.543 -7.178 15.829 1.00 16.00 C ATOM 1148 O SER A 77 20.475 -6.360 15.900 1.00 11.78 O ATOM 1149 CB SER A 77 17.213 -6.339 16.056 1.00 16.30 C ATOM 1150 OG SER A 77 16.078 -6.232 16.893 1.00 20.66 O ATOM 1151 HA SER A 77 18.023 -8.071 17.042 1.00 0.00 H ATOM 1152 HB2 SER A 77 16.942 -6.891 15.156 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.548 -5.339 15.780 1.00 0.00 H ATOM 1154 HG SER A 77 15.357 -5.756 16.410 1.00 0.00 H ATOM 1155 H SER A 77 18.792 -5.324 17.963 1.00 0.00 H ATOM 1156 N THR A 78 19.536 -8.188 14.964 1.00 14.50 N ATOM 1157 CA THR A 78 20.577 -8.277 13.945 1.00 14.34 C ATOM 1158 C THR A 78 20.327 -7.167 12.936 1.00 11.58 C ATOM 1159 O THR A 78 19.204 -6.665 12.798 1.00 15.03 O ATOM 1160 CB THR A 78 20.622 -9.632 13.196 1.00 16.96 C ATOM 1161 OG1 THR A 78 19.392 -9.833 12.482 1.00 17.66 O ATOM 1162 CG2 THR A 78 20.885 -10.797 14.155 1.00 17.38 C ATOM 1163 HA THR A 78 21.537 -8.182 14.453 1.00 0.00 H ATOM 1164 HB THR A 78 21.449 -9.602 12.486 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.268 -9.100 11.828 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.821 -10.625 14.686 1.00 0.00 H ATOM 1167 HG21 THR A 78 20.067 -10.867 14.872 1.00 0.00 H ATOM 1168 HG22 THR A 78 20.953 -11.725 13.587 1.00 0.00 H ATOM 1169 H THR A 78 18.791 -8.912 15.013 1.00 0.00 H ATOM 1170 N MET A 79 21.393 -6.770 12.253 1.00 9.08 N ATOM 1171 CA MET A 79 21.319 -5.704 11.269 1.00 12.95 C ATOM 1172 C MET A 79 22.013 -6.160 10.015 1.00 9.89 C ATOM 1173 O MET A 79 22.929 -6.978 10.069 1.00 9.44 O ATOM 1174 CB MET A 79 21.996 -4.441 11.801 1.00 9.53 C ATOM 1175 CG MET A 79 21.253 -3.815 12.970 1.00 10.66 C ATOM 1176 SD MET A 79 21.910 -2.198 13.352 1.00 10.56 S ATOM 1177 CE MET A 79 20.597 -1.543 14.364 1.00 10.23 C ATOM 1178 HA MET A 79 20.274 -5.474 11.059 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.004 -4.698 12.127 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.052 -3.711 10.994 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.356 -4.458 13.844 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.198 -3.720 12.713 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.673 -1.516 13.786 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.462 -2.180 15.238 1.00 0.00 H ATOM 1185 HE3 MET A 79 20.856 -0.534 14.684 1.00 0.00 H ATOM 1186 H MET A 79 22.307 -7.235 12.427 1.00 0.00 H ATOM 1187 N SER A 80 21.554 -5.644 8.877 1.00 10.24 N ATOM 1188 CA SER A 80 22.191 -5.921 7.592 1.00 13.39 C ATOM 1189 C SER A 80 23.494 -5.133 7.505 1.00 11.84 C ATOM 1190 O SER A 80 23.493 -3.922 7.667 1.00 13.11 O ATOM 1191 CB SER A 80 21.268 -5.490 6.457 1.00 15.02 C ATOM 1192 OG SER A 80 21.891 -5.656 5.194 1.00 13.54 O ATOM 1193 HA SER A 80 22.393 -6.989 7.507 1.00 0.00 H ATOM 1194 HB2 SER A 80 21.008 -4.440 6.590 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.361 -6.094 6.488 1.00 0.00 H ATOM 1196 HG SER A 80 21.268 -5.368 4.480 1.00 0.00 H ATOM 1197 H SER A 80 20.718 -5.026 8.904 1.00 0.00 H ATOM 1198 N ILE A 81 24.604 -5.823 7.286 1.00 8.23 N ATOM 1199 CA ILE A 81 25.910 -5.160 7.198 1.00 11.89 C ATOM 1200 C ILE A 81 26.726 -5.745 6.068 1.00 15.95 C ATOM 1201 O ILE A 81 26.426 -6.828 5.574 1.00 15.09 O ATOM 1202 CB ILE A 81 26.726 -5.282 8.508 1.00 11.85 C ATOM 1203 CG1 ILE A 81 27.139 -6.741 8.772 1.00 14.49 C ATOM 1204 CG2 ILE A 81 25.940 -4.681 9.663 1.00 11.73 C ATOM 1205 CD1 ILE A 81 28.178 -6.926 9.891 1.00 15.59 C ATOM 1206 HA ILE A 81 25.707 -4.105 7.016 1.00 0.00 H ATOM 1207 HB ILE A 81 27.652 -4.716 8.407 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.245 -7.303 9.043 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.557 -7.147 7.851 1.00 0.00 H ATOM 1210 HD11 ILE A 81 29.088 -6.383 9.634 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.775 -6.539 10.827 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.405 -7.986 10.003 1.00 0.00 H ATOM 1213 HG21 ILE A 81 25.742 -3.629 9.458 1.00 0.00 H ATOM 1214 HG22 ILE A 81 24.996 -5.214 9.775 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.520 -4.770 10.581 1.00 0.00 H ATOM 1216 H ILE A 81 24.548 -6.855 7.174 1.00 0.00 H ATOM 1217 N THR A 82 27.769 -5.028 5.666 1.00 15.18 N ATOM 1218 CA THR A 82 28.725 -5.567 4.717 1.00 12.27 C ATOM 1219 C THR A 82 30.115 -5.341 5.280 1.00 12.85 C ATOM 1220 O THR A 82 30.479 -4.197 5.631 1.00 12.48 O ATOM 1221 CB THR A 82 28.619 -4.900 3.342 1.00 12.53 C ATOM 1222 OG1 THR A 82 27.292 -5.071 2.816 1.00 15.28 O ATOM 1223 CG2 THR A 82 29.630 -5.527 2.390 1.00 15.79 C ATOM 1224 HA THR A 82 28.516 -6.627 4.575 1.00 0.00 H ATOM 1225 HB THR A 82 28.829 -3.835 3.445 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.638 -4.656 3.432 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.635 -5.396 2.791 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.416 -6.590 2.284 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.560 -5.042 1.417 1.00 0.00 H ATOM 1230 H THR A 82 27.903 -4.066 6.037 1.00 0.00 H ATOM 1231 N ASP A 83 30.884 -6.421 5.408 1.00 11.56 N ATOM 1232 CA ASP A 83 32.274 -6.290 5.837 1.00 12.82 C ATOM 1233 C ASP A 83 33.186 -6.158 4.624 1.00 13.95 C ATOM 1234 O ASP A 83 33.001 -6.852 3.616 1.00 13.33 O ATOM 1235 CB ASP A 83 32.709 -7.473 6.698 1.00 18.22 C ATOM 1236 CG ASP A 83 32.004 -7.502 8.033 1.00 22.69 C ATOM 1237 OD1 ASP A 83 32.242 -6.588 8.846 1.00 22.26 O ATOM 1238 OD2 ASP A 83 31.217 -8.438 8.279 1.00 30.99 O ATOM 1239 HA ASP A 83 32.353 -5.389 6.446 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.486 -8.396 6.164 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.783 -7.405 6.870 1.00 0.00 H ATOM 1242 H ASP A 83 30.493 -7.362 5.201 1.00 0.00 H ATOM 1243 N CYS A 84 34.158 -5.255 4.719 1.00 9.49 N ATOM 1244 CA CYS A 84 35.161 -5.092 3.679 1.00 11.49 C ATOM 1245 C CYS A 84 36.527 -5.392 4.269 1.00 13.92 C ATOM 1246 O CYS A 84 36.924 -4.787 5.266 1.00 17.33 O ATOM 1247 CB CYS A 84 35.152 -3.662 3.135 1.00 11.99 C ATOM 1248 SG CYS A 84 33.559 -3.115 2.484 1.00 11.51 S ATOM 1249 HA CYS A 84 34.938 -5.776 2.860 1.00 0.00 H ATOM 1250 HB2 CYS A 84 35.887 -3.599 2.333 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.439 -2.989 3.943 1.00 0.00 H ATOM 1252 H CYS A 84 34.202 -4.648 5.562 1.00 0.00 H ATOM 1253 N ARG A 85 37.235 -6.339 3.659 1.00 15.66 N ATOM 1254 CA ARG A 85 38.531 -6.776 4.164 1.00 13.79 C ATOM 1255 C ARG A 85 39.533 -6.755 3.031 1.00 20.38 C ATOM 1256 O ARG A 85 39.304 -7.367 1.983 1.00 20.71 O ATOM 1257 CB ARG A 85 38.411 -8.185 4.754 1.00 24.65 C ATOM 1258 CG ARG A 85 39.717 -8.968 4.852 1.00 31.20 C ATOM 1259 CD ARG A 85 40.205 -9.066 6.294 1.00 36.92 C ATOM 1260 NE ARG A 85 39.095 -9.220 7.233 1.00 36.82 N ATOM 1261 CZ ARG A 85 39.228 -9.231 8.557 1.00 41.38 C ATOM 1262 NH1 ARG A 85 38.158 -9.365 9.335 1.00 38.54 N ATOM 1263 NH2 ARG A 85 40.430 -9.105 9.105 1.00 42.81 N ATOM 1264 HA ARG A 85 38.869 -6.104 4.952 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.997 -8.095 5.758 1.00 0.00 H ATOM 1266 HB3 ARG A 85 37.724 -8.754 4.128 1.00 0.00 H ATOM 1267 HG2 ARG A 85 39.557 -9.974 4.463 1.00 0.00 H ATOM 1268 HG3 ARG A 85 40.477 -8.465 4.254 1.00 0.00 H ATOM 1269 HD2 ARG A 85 40.755 -8.159 6.543 1.00 0.00 H ATOM 1270 HD3 ARG A 85 40.867 -9.927 6.385 1.00 0.00 H ATOM 1271 HE ARG A 85 38.138 -9.328 6.840 1.00 0.00 H ATOM 1272 HH12 ARG A 85 38.265 -9.373 10.369 1.00 0.00 H ATOM 1273 HH11 ARG A 85 37.214 -9.462 8.909 1.00 0.00 H ATOM 1274 HH22 ARG A 85 40.533 -9.114 10.140 1.00 0.00 H ATOM 1275 HH21 ARG A 85 41.269 -8.998 8.500 1.00 0.00 H ATOM 1276 H ARG A 85 36.853 -6.780 2.798 1.00 0.00 H ATOM 1277 N GLU A 86 40.628 -6.027 3.227 1.00 21.90 N ATOM 1278 CA GLU A 86 41.632 -5.876 2.181 1.00 22.37 C ATOM 1279 C GLU A 86 42.181 -7.239 1.734 1.00 22.06 C ATOM 1280 O GLU A 86 42.462 -8.107 2.569 1.00 23.97 O ATOM 1281 CB GLU A 86 42.774 -4.974 2.652 1.00 21.54 C ATOM 1282 CG GLU A 86 43.664 -4.541 1.507 1.00 22.11 C ATOM 1283 CD GLU A 86 44.877 -3.753 1.946 1.00 20.74 C ATOM 1284 OE1 GLU A 86 45.511 -3.136 1.069 1.00 24.26 O ATOM 1285 OE2 GLU A 86 45.183 -3.749 3.159 1.00 26.47 O ATOM 1286 HA GLU A 86 41.147 -5.408 1.324 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.351 -4.087 3.124 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.376 -5.519 3.379 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.004 -5.432 0.979 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.077 -3.921 0.830 1.00 0.00 H ATOM 1291 H GLU A 86 40.771 -5.557 4.143 1.00 0.00 H ATOM 1292 N THR A 87 42.304 -7.427 0.418 1.00 20.71 N ATOM 1293 CA THR A 87 42.812 -8.686 -0.138 1.00 25.30 C ATOM 1294 C THR A 87 44.314 -8.800 0.089 1.00 25.19 C ATOM 1295 O THR A 87 44.985 -7.805 0.364 1.00 25.90 O ATOM 1296 CB THR A 87 42.532 -8.817 -1.647 1.00 21.79 C ATOM 1297 OG1 THR A 87 43.181 -7.755 -2.352 1.00 22.06 O ATOM 1298 CG2 THR A 87 41.033 -8.772 -1.930 1.00 23.78 C ATOM 1299 HA THR A 87 42.286 -9.488 0.381 1.00 0.00 H ATOM 1300 HB THR A 87 42.921 -9.778 -1.985 1.00 0.00 H ATOM 1301 HG1 THR A 87 42.998 -7.844 -3.321 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.539 -9.581 -1.393 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.630 -7.815 -1.598 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.863 -8.888 -3.000 1.00 0.00 H ATOM 1305 H THR A 87 42.032 -6.660 -0.230 1.00 0.00 H ATOM 1306 N GLY A 88 44.840 -10.012 -0.021 1.00 27.97 N ATOM 1307 CA GLY A 88 46.259 -10.228 0.201 1.00 31.09 C ATOM 1308 C GLY A 88 47.130 -9.629 -0.889 1.00 32.03 C ATOM 1309 O GLY A 88 48.311 -9.350 -0.662 1.00 37.06 O ATOM 1310 HA3 GLY A 88 46.444 -11.301 0.243 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.534 -9.775 1.154 1.00 0.00 H ATOM 1312 H GLY A 88 44.230 -10.817 -0.269 1.00 0.00 H ATOM 1313 N SER A 89 46.546 -9.423 -2.068 1.00 28.54 N ATOM 1314 CA SER A 89 47.284 -8.907 -3.214 1.00 31.08 C ATOM 1315 C SER A 89 47.009 -7.424 -3.438 1.00 34.66 C ATOM 1316 O SER A 89 47.462 -6.837 -4.426 1.00 32.88 O ATOM 1317 CB SER A 89 46.904 -9.682 -4.469 1.00 33.82 C ATOM 1318 OG SER A 89 45.626 -9.289 -4.931 1.00 37.22 O ATOM 1319 HA SER A 89 48.346 -9.032 -3.005 1.00 0.00 H ATOM 1320 HB2 SER A 89 46.890 -10.748 -4.241 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.642 -9.487 -5.247 1.00 0.00 H ATOM 1322 HG SER A 89 44.953 -9.468 -4.228 1.00 0.00 H ATOM 1323 H SER A 89 45.534 -9.637 -2.174 1.00 0.00 H ATOM 1324 N SER A 90 46.263 -6.820 -2.519 1.00 32.45 N ATOM 1325 CA SER A 90 45.922 -5.406 -2.626 1.00 29.10 C ATOM 1326 C SER A 90 47.148 -4.542 -2.367 1.00 23.03 C ATOM 1327 O SER A 90 47.808 -4.693 -1.341 1.00 33.94 O ATOM 1328 CB SER A 90 44.829 -5.047 -1.625 1.00 23.43 C ATOM 1329 OG SER A 90 44.723 -3.646 -1.456 1.00 19.38 O ATOM 1330 HA SER A 90 45.560 -5.219 -3.637 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.064 -5.504 -0.664 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.876 -5.434 -1.986 1.00 0.00 H ATOM 1333 HG SER A 90 45.584 -3.289 -1.123 1.00 0.00 H ATOM 1334 H SER A 90 45.915 -7.367 -1.706 1.00 0.00 H ATOM 1335 N LYS A 91 47.441 -3.639 -3.297 1.00 27.63 N ATOM 1336 CA LYS A 91 48.550 -2.710 -3.128 1.00 29.98 C ATOM 1337 C LYS A 91 48.102 -1.276 -3.394 1.00 24.42 C ATOM 1338 O LYS A 91 47.713 -0.932 -4.514 1.00 27.83 O ATOM 1339 CB LYS A 91 49.723 -3.086 -4.045 1.00 34.42 C ATOM 1340 CG LYS A 91 50.404 -4.410 -3.692 1.00 29.35 C ATOM 1341 CD LYS A 91 50.918 -4.429 -2.247 1.00 31.47 C ATOM 1342 CE LYS A 91 51.822 -5.643 -2.008 1.00 31.52 C ATOM 1343 NZ LYS A 91 51.986 -6.012 -0.560 1.00 27.29 N ATOM 1344 HA LYS A 91 48.889 -2.777 -2.094 1.00 0.00 H ATOM 1345 HB2 LYS A 91 49.348 -3.157 -5.066 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.469 -2.293 -3.987 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.686 -5.220 -3.820 1.00 0.00 H ATOM 1348 HG3 LYS A 91 51.246 -4.563 -4.367 1.00 0.00 H ATOM 1349 HD2 LYS A 91 51.485 -3.518 -2.057 1.00 0.00 H ATOM 1350 HD3 LYS A 91 50.069 -4.476 -1.566 1.00 0.00 H ATOM 1351 HE2 LYS A 91 52.807 -5.422 -2.419 1.00 0.00 H ATOM 1352 HE3 LYS A 91 51.394 -6.497 -2.533 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 52.405 -5.212 -0.045 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 51.056 -6.238 -0.154 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 52.610 -6.841 -0.483 1.00 0.00 H ATOM 1356 H LYS A 91 46.867 -3.595 -4.163 1.00 0.00 H ATOM 1357 N TYR A 92 48.153 -0.461 -2.344 1.00 25.40 N ATOM 1358 CA TYR A 92 47.896 0.971 -2.432 1.00 29.16 C ATOM 1359 C TYR A 92 48.681 1.544 -3.607 1.00 31.43 C ATOM 1360 O TYR A 92 49.834 1.168 -3.816 1.00 31.47 O ATOM 1361 CB TYR A 92 48.340 1.635 -1.130 1.00 28.46 C ATOM 1362 CG TYR A 92 48.163 3.132 -1.097 1.00 33.02 C ATOM 1363 CD1 TYR A 92 46.970 3.695 -0.679 1.00 32.20 C ATOM 1364 CD2 TYR A 92 49.190 3.980 -1.482 1.00 33.52 C ATOM 1365 CE1 TYR A 92 46.801 5.062 -0.642 1.00 29.59 C ATOM 1366 CE2 TYR A 92 49.034 5.344 -1.452 1.00 34.16 C ATOM 1367 CZ TYR A 92 47.840 5.882 -1.029 1.00 38.62 C ATOM 1368 OH TYR A 92 47.694 7.247 -0.999 1.00 34.79 O ATOM 1369 HA TYR A 92 46.833 1.157 -2.586 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.396 1.414 -0.978 1.00 0.00 H ATOM 1371 HB2 TYR A 92 47.759 1.206 -0.314 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.138 3.557 -1.814 1.00 0.00 H ATOM 1373 HE2 TYR A 92 49.851 5.996 -1.761 1.00 0.00 H ATOM 1374 HE1 TYR A 92 45.855 5.491 -0.310 1.00 0.00 H ATOM 1375 HD1 TYR A 92 46.150 3.046 -0.374 1.00 0.00 H ATOM 1376 HH TYR A 92 46.787 7.474 -0.674 1.00 0.00 H ATOM 1377 H TYR A 92 48.388 -0.865 -1.415 1.00 0.00 H ATOM 1378 N PRO A 93 48.073 2.454 -4.384 1.00 32.15 N ATOM 1379 CA PRO A 93 46.752 3.092 -4.280 1.00 32.51 C ATOM 1380 C PRO A 93 45.582 2.251 -4.800 1.00 34.92 C ATOM 1381 O PRO A 93 44.437 2.635 -4.554 1.00 35.66 O ATOM 1382 CB PRO A 93 46.905 4.324 -5.175 1.00 35.08 C ATOM 1383 CG PRO A 93 47.849 3.869 -6.237 1.00 35.49 C ATOM 1384 CD PRO A 93 48.840 2.982 -5.527 1.00 36.00 C ATOM 1385 HA PRO A 93 46.506 3.279 -3.235 1.00 0.00 H ATOM 1386 HD3 PRO A 93 49.176 2.174 -6.177 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.702 3.555 -5.186 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.354 4.721 -6.691 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.318 3.310 -7.008 1.00 0.00 H ATOM 1390 HB2 PRO A 93 45.946 4.615 -5.604 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.321 5.162 -4.616 1.00 0.00 H ATOM 1392 N ASN A 94 45.850 1.160 -5.515 1.00 33.51 N ATOM 1393 CA ASN A 94 44.775 0.316 -6.036 1.00 35.21 C ATOM 1394 C ASN A 94 44.235 -0.615 -4.965 1.00 29.53 C ATOM 1395 O ASN A 94 44.449 -1.826 -5.023 1.00 26.44 O ATOM 1396 CB ASN A 94 45.257 -0.516 -7.225 1.00 37.17 C ATOM 1397 CG ASN A 94 45.684 0.334 -8.398 1.00 46.03 C ATOM 1398 OD1 ASN A 94 46.852 0.325 -8.794 1.00 48.82 O ATOM 1399 ND2 ASN A 94 44.740 1.076 -8.964 1.00 45.92 N ATOM 1400 HA ASN A 94 43.977 0.983 -6.362 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.105 -1.121 -6.906 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.446 -1.170 -7.545 1.00 0.00 H ATOM 1403 HD22 ASN A 94 43.768 1.051 -8.595 1.00 0.00 H ATOM 1404 HD21 ASN A 94 44.972 1.682 -9.776 1.00 0.00 H ATOM 1405 H ASN A 94 46.840 0.904 -5.706 1.00 0.00 H ATOM 1406 N CYS A 95 43.535 -0.052 -3.987 1.00 24.49 N ATOM 1407 CA CYS A 95 43.069 -0.839 -2.856 1.00 20.83 C ATOM 1408 C CYS A 95 41.979 -1.838 -3.266 1.00 19.26 C ATOM 1409 O CYS A 95 41.008 -1.480 -3.936 1.00 26.12 O ATOM 1410 CB CYS A 95 42.574 0.089 -1.745 1.00 22.83 C ATOM 1411 SG CYS A 95 43.827 1.297 -1.209 1.00 25.92 S ATOM 1412 HA CYS A 95 43.909 -1.424 -2.481 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.289 -0.519 -0.886 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.702 0.632 -2.110 1.00 0.00 H ATOM 1415 H CYS A 95 43.317 0.964 -4.030 1.00 0.00 H ATOM 1416 N ALA A 96 42.155 -3.090 -2.856 1.00 19.63 N ATOM 1417 CA ALA A 96 41.254 -4.167 -3.258 1.00 21.30 C ATOM 1418 C ALA A 96 40.703 -4.855 -2.023 1.00 19.39 C ATOM 1419 O ALA A 96 41.440 -5.088 -1.062 1.00 16.88 O ATOM 1420 CB ALA A 96 41.988 -5.173 -4.134 1.00 25.35 C ATOM 1421 HA ALA A 96 40.430 -3.745 -3.833 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.363 -4.671 -5.026 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.823 -5.597 -3.576 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.302 -5.969 -4.424 1.00 0.00 H ATOM 1425 H ALA A 96 42.957 -3.309 -2.231 1.00 0.00 H ATOM 1426 N TYR A 97 39.419 -5.205 -2.071 1.00 16.56 N ATOM 1427 CA TYR A 97 38.702 -5.720 -0.911 1.00 16.68 C ATOM 1428 C TYR A 97 37.825 -6.909 -1.255 1.00 16.49 C ATOM 1429 O TYR A 97 37.251 -6.984 -2.351 1.00 17.49 O ATOM 1430 CB TYR A 97 37.812 -4.623 -0.319 1.00 12.70 C ATOM 1431 CG TYR A 97 38.584 -3.477 0.260 1.00 12.40 C ATOM 1432 CD1 TYR A 97 38.941 -2.387 -0.514 1.00 16.26 C ATOM 1433 CD2 TYR A 97 38.984 -3.504 1.585 1.00 16.49 C ATOM 1434 CE1 TYR A 97 39.677 -1.343 0.021 1.00 12.65 C ATOM 1435 CE2 TYR A 97 39.715 -2.472 2.128 1.00 17.04 C ATOM 1436 CZ TYR A 97 40.050 -1.395 1.347 1.00 19.02 C ATOM 1437 OH TYR A 97 40.780 -0.370 1.896 1.00 21.62 O ATOM 1438 HA TYR A 97 39.456 -6.043 -0.193 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.201 -5.062 0.470 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.164 -4.240 -1.108 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.716 -4.357 2.209 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.026 -2.510 3.172 1.00 0.00 H ATOM 1443 HE1 TYR A 97 39.958 -0.491 -0.598 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.638 -2.350 -1.560 1.00 0.00 H ATOM 1445 HH TYR A 97 40.278 0.022 2.654 1.00 0.00 H ATOM 1446 H TYR A 97 38.908 -5.107 -2.971 1.00 0.00 H ATOM 1447 N LYS A 98 37.725 -7.834 -0.308 1.00 17.31 N ATOM 1448 CA LYS A 98 36.693 -8.863 -0.350 1.00 17.34 C ATOM 1449 C LYS A 98 35.418 -8.316 0.297 1.00 17.95 C ATOM 1450 O LYS A 98 35.471 -7.736 1.388 1.00 20.58 O ATOM 1451 CB LYS A 98 37.167 -10.107 0.387 1.00 19.09 C ATOM 1452 CG LYS A 98 36.100 -11.156 0.630 1.00 23.79 C ATOM 1453 CD LYS A 98 36.729 -12.397 1.254 1.00 32.86 C ATOM 1454 CE LYS A 98 37.650 -12.042 2.425 1.00 35.88 C ATOM 1455 NZ LYS A 98 36.909 -11.651 3.666 1.00 36.68 N ATOM 1456 HA LYS A 98 36.487 -9.135 -1.385 1.00 0.00 H ATOM 1457 HB2 LYS A 98 37.963 -10.565 -0.200 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.562 -9.797 1.354 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.344 -10.754 1.305 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.633 -11.424 -0.318 1.00 0.00 H ATOM 1461 HD2 LYS A 98 35.935 -13.051 1.615 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.310 -12.918 0.493 1.00 0.00 H ATOM 1463 HE2 LYS A 98 38.286 -11.209 2.125 1.00 0.00 H ATOM 1464 HE3 LYS A 98 38.271 -12.909 2.652 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 36.319 -10.818 3.468 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 36.305 -12.441 3.971 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 37.590 -11.424 4.418 1.00 0.00 H ATOM 1468 H LYS A 98 38.400 -7.824 0.483 1.00 0.00 H ATOM 1469 N THR A 99 34.286 -8.493 -0.383 1.00 18.04 N ATOM 1470 CA THR A 99 32.995 -7.985 0.087 1.00 15.67 C ATOM 1471 C THR A 99 32.168 -9.117 0.705 1.00 17.89 C ATOM 1472 O THR A 99 31.879 -10.108 0.036 1.00 18.02 O ATOM 1473 CB THR A 99 32.198 -7.359 -1.080 1.00 15.40 C ATOM 1474 OG1 THR A 99 32.855 -6.168 -1.537 1.00 12.96 O ATOM 1475 CG2 THR A 99 30.769 -7.016 -0.652 1.00 15.63 C ATOM 1476 HA THR A 99 33.190 -7.222 0.841 1.00 0.00 H ATOM 1477 HB THR A 99 32.153 -8.090 -1.887 1.00 0.00 H ATOM 1478 HG1 THR A 99 33.767 -6.394 -1.848 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.268 -7.920 -0.304 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.799 -6.283 0.154 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.226 -6.602 -1.502 1.00 0.00 H ATOM 1482 H THR A 99 34.320 -9.013 -1.283 1.00 0.00 H ATOM 1483 N THR A 100 31.790 -8.983 1.977 1.00 13.53 N ATOM 1484 CA THR A 100 31.021 -10.034 2.631 1.00 19.47 C ATOM 1485 C THR A 100 29.793 -9.483 3.345 1.00 19.69 C ATOM 1486 O THR A 100 29.911 -8.800 4.367 1.00 20.69 O ATOM 1487 CB THR A 100 31.851 -10.825 3.652 1.00 20.32 C ATOM 1488 OG1 THR A 100 33.091 -11.241 3.064 1.00 25.89 O ATOM 1489 CG2 THR A 100 31.065 -12.059 4.102 1.00 22.18 C ATOM 1490 HA THR A 100 30.713 -10.701 1.826 1.00 0.00 H ATOM 1491 HB THR A 100 32.059 -10.186 4.510 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.603 -10.444 2.777 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.122 -11.744 4.549 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.865 -12.695 3.240 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.650 -12.613 4.836 1.00 0.00 H ATOM 1496 H THR A 100 32.045 -8.124 2.505 1.00 0.00 H ATOM 1497 N GLN A 101 28.620 -9.801 2.812 1.00 20.25 N ATOM 1498 CA GLN A 101 27.359 -9.398 3.419 1.00 18.25 C ATOM 1499 C GLN A 101 27.015 -10.327 4.584 1.00 20.05 C ATOM 1500 O GLN A 101 27.327 -11.517 4.552 1.00 17.62 O ATOM 1501 CB GLN A 101 26.241 -9.446 2.374 1.00 27.63 C ATOM 1502 CG GLN A 101 24.842 -9.200 2.916 1.00 29.75 C ATOM 1503 CD GLN A 101 24.680 -7.804 3.464 1.00 20.90 C ATOM 1504 OE1 GLN A 101 25.405 -6.891 3.066 1.00 26.48 O ATOM 1505 NE2 GLN A 101 23.721 -7.622 4.376 1.00 19.66 N ATOM 1506 HA GLN A 101 27.458 -8.380 3.794 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.450 -8.687 1.620 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.255 -10.432 1.909 1.00 0.00 H ATOM 1509 HG2 GLN A 101 24.122 -9.347 2.111 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.644 -9.916 3.714 1.00 0.00 H ATOM 1511 HE22 GLN A 101 23.134 -8.425 4.681 1.00 0.00 H ATOM 1512 HE21 GLN A 101 23.561 -6.678 4.781 1.00 0.00 H ATOM 1513 H GLN A 101 28.601 -10.356 1.933 1.00 0.00 H ATOM 1514 N ALA A 102 26.380 -9.781 5.614 1.00 15.37 N ATOM 1515 CA ALA A 102 25.990 -10.577 6.774 1.00 15.49 C ATOM 1516 C ALA A 102 24.826 -9.933 7.489 1.00 11.82 C ATOM 1517 O ALA A 102 24.505 -8.770 7.254 1.00 14.59 O ATOM 1518 CB ALA A 102 27.169 -10.737 7.733 1.00 20.72 C ATOM 1519 HA ALA A 102 25.685 -11.564 6.425 1.00 0.00 H ATOM 1520 HB1 ALA A 102 27.989 -11.238 7.218 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.497 -9.754 8.071 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.859 -11.333 8.591 1.00 0.00 H ATOM 1523 H ALA A 102 26.156 -8.766 5.594 1.00 0.00 H ATOM 1524 N ASN A 103 24.199 -10.692 8.377 1.00 14.52 N ATOM 1525 CA ASN A 103 23.217 -10.122 9.289 1.00 12.46 C ATOM 1526 C ASN A 103 23.660 -10.462 10.690 1.00 14.20 C ATOM 1527 O ASN A 103 23.657 -11.625 11.090 1.00 14.86 O ATOM 1528 CB ASN A 103 21.819 -10.673 9.015 1.00 14.59 C ATOM 1529 CG ASN A 103 21.278 -10.214 7.694 1.00 16.29 C ATOM 1530 OD1 ASN A 103 21.511 -10.849 6.668 1.00 26.84 O ATOM 1531 ND2 ASN A 103 20.565 -9.087 7.704 1.00 19.00 N ATOM 1532 HA ASN A 103 23.159 -9.042 9.153 1.00 0.00 H ATOM 1533 HB2 ASN A 103 21.864 -11.762 9.017 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.148 -10.337 9.805 1.00 0.00 H ATOM 1535 HD22 ASN A 103 20.396 -8.587 8.600 1.00 0.00 H ATOM 1536 HD21 ASN A 103 20.178 -8.709 6.816 1.00 0.00 H ATOM 1537 H ASN A 103 24.411 -11.709 8.423 1.00 0.00 H ATOM 1538 N LYS A 104 24.074 -9.443 11.427 1.00 11.73 N ATOM 1539 CA LYS A 104 24.728 -9.662 12.707 1.00 11.20 C ATOM 1540 C LYS A 104 24.379 -8.540 13.652 1.00 9.01 C ATOM 1541 O LYS A 104 23.880 -7.497 13.237 1.00 10.97 O ATOM 1542 CB LYS A 104 26.251 -9.719 12.519 1.00 12.91 C ATOM 1543 CG LYS A 104 26.764 -11.033 11.950 1.00 14.36 C ATOM 1544 CD LYS A 104 28.276 -11.026 11.801 1.00 17.87 C ATOM 1545 CE LYS A 104 28.741 -12.370 11.262 1.00 27.07 C ATOM 1546 NZ LYS A 104 30.222 -12.443 11.151 1.00 23.81 N ATOM 1547 HA LYS A 104 24.385 -10.610 13.122 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.542 -8.917 11.841 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.721 -9.561 13.490 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.478 -11.844 12.619 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.313 -11.195 10.971 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.569 -10.236 11.109 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.736 -10.846 12.773 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.306 -12.523 10.274 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.399 -13.157 11.934 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.557 -11.700 10.505 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.646 -12.305 12.090 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.495 -13.375 10.780 1.00 0.00 H ATOM 1559 H LYS A 104 23.929 -8.471 11.085 1.00 0.00 H ATOM 1560 N HIS A 105 24.653 -8.747 14.937 1.00 10.39 N ATOM 1561 CA HIS A 105 24.456 -7.687 15.899 1.00 9.89 C ATOM 1562 C HIS A 105 25.671 -6.782 15.809 1.00 7.54 C ATOM 1563 O HIS A 105 26.808 -7.263 15.811 1.00 12.87 O ATOM 1564 CB HIS A 105 24.336 -8.276 17.300 1.00 10.94 C ATOM 1565 CG HIS A 105 23.196 -9.234 17.443 1.00 11.19 C ATOM 1566 ND1 HIS A 105 21.918 -8.825 17.748 1.00 14.54 N ATOM 1567 CD2 HIS A 105 23.132 -10.580 17.287 1.00 16.48 C ATOM 1568 CE1 HIS A 105 21.117 -9.875 17.790 1.00 14.57 C ATOM 1569 NE2 HIS A 105 21.830 -10.952 17.516 1.00 15.24 N ATOM 1570 HA HIS A 105 23.542 -7.130 15.693 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.262 -8.801 17.535 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.193 -7.460 18.008 1.00 0.00 H ATOM 1573 HD2 HIS A 105 23.959 -11.242 17.028 1.00 0.00 H ATOM 1574 HE1 HIS A 105 20.050 -9.855 18.013 1.00 0.00 H ATOM 1575 H HIS A 105 25.009 -9.673 15.250 1.00 0.00 H ATOM 1576 N ILE A 106 25.454 -5.476 15.721 1.00 7.24 N ATOM 1577 CA ILE A 106 26.607 -4.583 15.647 1.00 7.57 C ATOM 1578 C ILE A 106 26.971 -4.099 17.041 1.00 7.25 C ATOM 1579 O ILE A 106 26.108 -4.000 17.914 1.00 6.16 O ATOM 1580 CB ILE A 106 26.376 -3.400 14.685 1.00 7.57 C ATOM 1581 CG1 ILE A 106 25.289 -2.447 15.220 1.00 9.85 C ATOM 1582 CG2 ILE A 106 26.031 -3.923 13.294 1.00 8.65 C ATOM 1583 CD1 ILE A 106 25.208 -1.111 14.469 1.00 8.47 C ATOM 1584 HA ILE A 106 27.443 -5.149 15.236 1.00 0.00 H ATOM 1585 HB ILE A 106 27.297 -2.821 14.615 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.324 -2.946 15.137 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.501 -2.239 16.269 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.162 -0.591 14.551 1.00 0.00 H ATOM 1589 HD12 ILE A 106 24.984 -1.299 13.419 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.420 -0.498 14.905 1.00 0.00 H ATOM 1591 HG21 ILE A 106 26.854 -4.534 12.923 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.124 -4.526 13.348 1.00 0.00 H ATOM 1593 HG23 ILE A 106 25.869 -3.081 12.621 1.00 0.00 H ATOM 1594 H ILE A 106 24.486 -5.097 15.705 1.00 0.00 H ATOM 1595 N ILE A 107 28.256 -3.817 17.260 1.00 5.52 N ATOM 1596 CA ILE A 107 28.684 -3.167 18.485 1.00 4.65 C ATOM 1597 C ILE A 107 29.344 -1.845 18.126 1.00 6.49 C ATOM 1598 O ILE A 107 30.309 -1.814 17.357 1.00 7.60 O ATOM 1599 CB ILE A 107 29.665 -4.023 19.281 1.00 5.76 C ATOM 1600 CG1 ILE A 107 28.995 -5.341 19.678 1.00 7.11 C ATOM 1601 CG2 ILE A 107 30.123 -3.258 20.529 1.00 5.91 C ATOM 1602 CD1 ILE A 107 29.968 -6.399 20.212 1.00 8.79 C ATOM 1603 HA ILE A 107 27.806 -3.011 19.112 1.00 0.00 H ATOM 1604 HB ILE A 107 30.537 -4.245 18.666 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.257 -5.131 20.453 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.493 -5.748 18.801 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.707 -6.631 19.445 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.471 -6.013 21.099 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.415 -7.302 20.471 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.613 -2.332 20.227 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.257 -3.027 21.150 1.00 0.00 H ATOM 1612 HG23 ILE A 107 30.823 -3.873 21.094 1.00 0.00 H ATOM 1613 H ILE A 107 28.964 -4.067 16.540 1.00 0.00 H ATOM 1614 N VAL A 108 28.791 -0.752 18.640 1.00 5.30 N ATOM 1615 CA VAL A 108 29.345 0.578 18.371 1.00 5.05 C ATOM 1616 C VAL A 108 29.743 1.288 19.663 1.00 7.28 C ATOM 1617 O VAL A 108 29.212 1.008 20.737 1.00 7.24 O ATOM 1618 CB VAL A 108 28.363 1.479 17.571 1.00 6.57 C ATOM 1619 CG1 VAL A 108 28.113 0.882 16.175 1.00 6.50 C ATOM 1620 CG2 VAL A 108 27.040 1.643 18.328 1.00 8.34 C ATOM 1621 HA VAL A 108 30.233 0.415 17.760 1.00 0.00 H ATOM 1622 HB VAL A 108 28.814 2.465 17.455 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.058 0.815 15.635 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.681 -0.113 16.279 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.424 1.523 15.625 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.582 0.664 18.474 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.232 2.104 19.297 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.368 2.277 17.750 1.00 0.00 H ATOM 1629 H VAL A 108 27.949 -0.842 19.244 1.00 0.00 H ATOM 1630 N ALA A 109 30.704 2.198 19.546 1.00 5.60 N ATOM 1631 CA ALA A 109 31.090 3.054 20.661 1.00 4.79 C ATOM 1632 C ALA A 109 30.340 4.352 20.485 1.00 7.43 C ATOM 1633 O ALA A 109 30.273 4.879 19.381 1.00 7.01 O ATOM 1634 CB ALA A 109 32.575 3.321 20.629 1.00 6.63 C ATOM 1635 HA ALA A 109 30.855 2.579 21.614 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.114 2.377 20.702 1.00 0.00 H ATOM 1637 HB2 ALA A 109 32.834 3.817 19.693 1.00 0.00 H ATOM 1638 HB3 ALA A 109 32.846 3.962 21.468 1.00 0.00 H ATOM 1639 H ALA A 109 31.194 2.302 18.635 1.00 0.00 H ATOM 1640 N CYS A 110 29.776 4.860 21.574 1.00 5.02 N ATOM 1641 CA CYS A 110 29.000 6.097 21.537 1.00 5.39 C ATOM 1642 C CYS A 110 29.628 7.161 22.433 1.00 6.72 C ATOM 1643 O CYS A 110 30.191 6.855 23.477 1.00 7.69 O ATOM 1644 CB CYS A 110 27.562 5.825 21.982 1.00 7.76 C ATOM 1645 SG CYS A 110 26.728 4.578 20.979 1.00 8.31 S ATOM 1646 HA CYS A 110 28.997 6.469 20.512 1.00 0.00 H ATOM 1647 HB2 CYS A 110 26.998 6.755 21.917 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.579 5.483 23.017 1.00 0.00 H ATOM 1649 H CYS A 110 29.890 4.363 22.480 1.00 0.00 H ATOM 1650 N GLU A 111 29.503 8.419 22.022 1.00 7.02 N ATOM 1651 CA GLU A 111 30.075 9.545 22.749 1.00 5.24 C ATOM 1652 C GLU A 111 29.257 10.790 22.446 1.00 8.68 C ATOM 1653 O GLU A 111 28.558 10.852 21.429 1.00 8.44 O ATOM 1654 CB GLU A 111 31.516 9.805 22.305 1.00 8.69 C ATOM 1655 CG GLU A 111 32.548 8.803 22.819 1.00 10.41 C ATOM 1656 CD GLU A 111 33.974 9.222 22.518 1.00 17.85 C ATOM 1657 OE1 GLU A 111 34.179 10.054 21.609 1.00 19.70 O ATOM 1658 OE2 GLU A 111 34.897 8.691 23.171 1.00 21.72 O ATOM 1659 HA GLU A 111 30.063 9.312 23.814 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.542 9.786 21.215 1.00 0.00 H ATOM 1661 HB3 GLU A 111 31.804 10.796 22.657 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.433 8.707 23.899 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.361 7.838 22.348 1.00 0.00 H ATOM 1664 H GLU A 111 28.975 8.607 21.146 1.00 0.00 H ATOM 1665 N GLY A 112 29.378 11.784 23.320 1.00 7.04 N ATOM 1666 CA GLY A 112 28.842 13.109 23.059 1.00 8.96 C ATOM 1667 C GLY A 112 27.448 13.416 23.574 1.00 11.59 C ATOM 1668 O GLY A 112 26.780 12.580 24.205 1.00 10.23 O ATOM 1669 HA3 GLY A 112 28.829 13.249 21.978 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.523 13.831 23.509 1.00 0.00 H ATOM 1671 H GLY A 112 29.872 11.608 24.218 1.00 0.00 H ATOM 1672 N ASN A 113 27.023 14.658 23.319 1.00 12.44 N ATOM 1673 CA ASN A 113 25.648 15.077 23.541 1.00 18.41 C ATOM 1674 C ASN A 113 25.173 15.828 22.298 1.00 15.26 C ATOM 1675 O ASN A 113 25.611 16.956 22.064 1.00 20.33 O ATOM 1676 CB ASN A 113 25.529 15.964 24.775 1.00 19.03 C ATOM 1677 CG ASN A 113 24.082 16.210 25.174 1.00 19.73 C ATOM 1678 OD1 ASN A 113 23.150 15.672 24.568 1.00 19.38 O ATOM 1679 ND2 ASN A 113 23.890 17.007 26.217 1.00 33.99 N ATOM 1680 HA ASN A 113 25.026 14.199 23.716 1.00 0.00 H ATOM 1681 HB2 ASN A 113 26.044 15.481 25.605 1.00 0.00 H ATOM 1682 HB3 ASN A 113 26.002 16.923 24.564 1.00 0.00 H ATOM 1683 HD22 ASN A 113 24.704 17.439 26.698 1.00 0.00 H ATOM 1684 HD21 ASN A 113 22.925 17.199 26.554 1.00 0.00 H ATOM 1685 H ASN A 113 27.703 15.352 22.947 1.00 0.00 H ATOM 1686 N PRO A 114 24.290 15.203 21.494 1.00 18.65 N ATOM 1687 CA PRO A 114 23.610 13.926 21.748 1.00 13.60 C ATOM 1688 C PRO A 114 24.550 12.718 21.718 1.00 15.63 C ATOM 1689 O PRO A 114 25.619 12.775 21.089 1.00 11.05 O ATOM 1690 CB PRO A 114 22.606 13.832 20.602 1.00 18.44 C ATOM 1691 CG PRO A 114 23.254 14.585 19.495 1.00 22.10 C ATOM 1692 CD PRO A 114 23.963 15.731 20.156 1.00 16.93 C ATOM 1693 HA PRO A 114 23.167 13.906 22.744 1.00 0.00 H ATOM 1694 HD3 PRO A 114 24.868 15.998 19.610 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.313 16.603 20.228 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.505 14.953 18.794 1.00 0.00 H ATOM 1697 HG2 PRO A 114 23.965 13.950 18.966 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.437 12.793 20.318 1.00 0.00 H ATOM 1699 HB3 PRO A 114 21.657 14.290 20.879 1.00 0.00 H ATOM 1700 N TYR A 115 24.153 11.673 22.439 1.00 11.08 N ATOM 1701 CA TYR A 115 24.919 10.429 22.556 1.00 9.11 C ATOM 1702 C TYR A 115 24.713 9.601 21.289 1.00 8.57 C ATOM 1703 O TYR A 115 23.644 8.998 21.081 1.00 10.19 O ATOM 1704 CB TYR A 115 24.452 9.666 23.793 1.00 9.32 C ATOM 1705 CG TYR A 115 25.455 8.688 24.377 1.00 7.52 C ATOM 1706 CD1 TYR A 115 26.731 9.105 24.740 1.00 6.89 C ATOM 1707 CD2 TYR A 115 25.111 7.354 24.586 1.00 8.14 C ATOM 1708 CE1 TYR A 115 27.656 8.198 25.296 1.00 8.33 C ATOM 1709 CE2 TYR A 115 26.018 6.452 25.141 1.00 8.63 C ATOM 1710 CZ TYR A 115 27.280 6.882 25.493 1.00 8.89 C ATOM 1711 OH TYR A 115 28.178 5.996 26.059 1.00 7.67 O ATOM 1712 HA TYR A 115 25.982 10.642 22.665 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.556 9.107 23.524 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.206 10.396 24.565 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.114 7.009 24.311 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.731 5.412 25.296 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.658 8.531 25.568 1.00 0.00 H ATOM 1718 HD1 TYR A 115 27.019 10.146 24.593 1.00 0.00 H ATOM 1719 HH TYR A 115 27.801 5.640 26.902 1.00 0.00 H ATOM 1720 H TYR A 115 23.249 11.743 22.948 1.00 0.00 H ATOM 1721 N VAL A 116 25.742 9.571 20.441 1.00 9.49 N ATOM 1722 CA VAL A 116 25.621 8.989 19.102 1.00 8.49 C ATOM 1723 C VAL A 116 26.814 8.094 18.761 1.00 9.50 C ATOM 1724 O VAL A 116 27.843 8.161 19.429 1.00 7.12 O ATOM 1725 CB VAL A 116 25.476 10.086 18.010 1.00 11.60 C ATOM 1726 CG1 VAL A 116 24.128 10.783 18.127 1.00 11.93 C ATOM 1727 CG2 VAL A 116 26.622 11.095 18.092 1.00 7.47 C ATOM 1728 HA VAL A 116 24.717 8.380 19.115 1.00 0.00 H ATOM 1729 HB VAL A 116 25.526 9.603 17.034 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.330 10.051 18.002 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.045 11.248 19.109 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.047 11.547 17.354 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.614 11.573 19.072 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.571 10.578 17.946 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.495 11.851 17.317 1.00 0.00 H ATOM 1736 H VAL A 116 26.655 9.971 20.738 1.00 0.00 H ATOM 1737 N PRO A 117 26.670 7.239 17.733 1.00 9.66 N ATOM 1738 CA PRO A 117 27.812 6.354 17.463 1.00 7.08 C ATOM 1739 C PRO A 117 29.009 7.109 16.892 1.00 5.67 C ATOM 1740 O PRO A 117 28.836 7.966 16.020 1.00 8.86 O ATOM 1741 CB PRO A 117 27.263 5.374 16.426 1.00 8.40 C ATOM 1742 CG PRO A 117 25.754 5.429 16.596 1.00 6.69 C ATOM 1743 CD PRO A 117 25.463 6.852 16.971 1.00 7.63 C ATOM 1744 HA PRO A 117 28.180 5.877 18.372 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.340 7.475 16.085 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.568 6.921 17.589 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.431 4.750 17.385 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.252 5.167 15.665 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.547 5.681 15.420 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.634 4.367 16.616 1.00 0.00 H ATOM 1751 N VAL A 118 30.213 6.784 17.366 1.00 5.77 N ATOM 1752 CA VAL A 118 31.420 7.429 16.854 1.00 7.57 C ATOM 1753 C VAL A 118 32.470 6.420 16.398 1.00 8.62 C ATOM 1754 O VAL A 118 33.438 6.788 15.732 1.00 7.71 O ATOM 1755 CB VAL A 118 32.036 8.421 17.852 1.00 10.13 C ATOM 1756 CG1 VAL A 118 31.092 9.568 18.119 1.00 6.80 C ATOM 1757 CG2 VAL A 118 32.411 7.717 19.173 1.00 8.47 C ATOM 1758 HA VAL A 118 31.093 7.997 15.983 1.00 0.00 H ATOM 1759 HB VAL A 118 32.948 8.819 17.406 1.00 0.00 H ATOM 1760 HG11 VAL A 118 30.884 10.091 17.185 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.162 9.182 18.535 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.551 10.257 18.828 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.516 7.283 19.619 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.136 6.929 18.970 1.00 0.00 H ATOM 1765 HG23 VAL A 118 32.845 8.444 19.860 1.00 0.00 H ATOM 1766 H VAL A 118 30.294 6.062 18.110 1.00 0.00 H ATOM 1767 N HIS A 119 32.295 5.150 16.757 1.00 5.54 N ATOM 1768 CA HIS A 119 33.200 4.116 16.255 1.00 9.61 C ATOM 1769 C HIS A 119 32.446 2.817 16.047 1.00 8.12 C ATOM 1770 O HIS A 119 31.458 2.557 16.731 1.00 8.02 O ATOM 1771 CB HIS A 119 34.376 3.870 17.215 1.00 12.40 C ATOM 1772 CG HIS A 119 35.172 5.097 17.541 1.00 16.83 C ATOM 1773 ND1 HIS A 119 35.922 5.774 16.602 1.00 19.20 N ATOM 1774 CD2 HIS A 119 35.358 5.753 18.712 1.00 18.70 C ATOM 1775 CE1 HIS A 119 36.512 6.810 17.173 1.00 21.79 C ATOM 1776 NE2 HIS A 119 36.187 6.817 18.455 1.00 19.14 N ATOM 1777 HA HIS A 119 33.602 4.470 15.306 1.00 0.00 H ATOM 1778 HB2 HIS A 119 33.979 3.463 18.145 1.00 0.00 H ATOM 1779 HB3 HIS A 119 35.044 3.141 16.757 1.00 0.00 H ATOM 1780 HD2 HIS A 119 34.929 5.486 19.678 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.156 7.534 16.673 1.00 0.00 H ATOM 1782 H HIS A 119 31.515 4.893 17.395 1.00 0.00 H ATOM 1783 N PHE A 120 32.902 2.004 15.102 1.00 6.49 N ATOM 1784 CA PHE A 120 32.313 0.683 14.921 1.00 7.01 C ATOM 1785 C PHE A 120 33.273 -0.302 15.555 1.00 6.35 C ATOM 1786 O PHE A 120 34.424 -0.396 15.126 1.00 7.64 O ATOM 1787 CB PHE A 120 32.129 0.374 13.440 1.00 9.01 C ATOM 1788 CG PHE A 120 31.322 -0.866 13.190 1.00 7.04 C ATOM 1789 CD1 PHE A 120 29.958 -0.781 12.961 1.00 9.10 C ATOM 1790 CD2 PHE A 120 31.928 -2.121 13.216 1.00 8.04 C ATOM 1791 CE1 PHE A 120 29.205 -1.931 12.754 1.00 10.07 C ATOM 1792 CE2 PHE A 120 31.189 -3.273 12.998 1.00 9.06 C ATOM 1793 CZ PHE A 120 29.823 -3.173 12.771 1.00 10.08 C ATOM 1794 HA PHE A 120 31.327 0.626 15.382 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.623 1.217 12.970 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.112 0.244 12.988 1.00 0.00 H ATOM 1797 HD2 PHE A 120 32.998 -2.197 13.410 1.00 0.00 H ATOM 1798 HE2 PHE A 120 31.676 -4.248 13.005 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.233 -4.075 12.605 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.132 -1.857 12.579 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.472 0.195 12.943 1.00 0.00 H ATOM 1802 H PHE A 120 33.683 2.311 14.488 1.00 0.00 H ATOM 1803 N ASP A 121 32.828 -1.021 16.589 1.00 5.34 N ATOM 1804 CA ASP A 121 33.757 -1.841 17.353 1.00 5.76 C ATOM 1805 C ASP A 121 33.829 -3.285 16.851 1.00 6.65 C ATOM 1806 O ASP A 121 34.925 -3.862 16.745 1.00 9.74 O ATOM 1807 CB ASP A 121 33.401 -1.824 18.841 1.00 5.73 C ATOM 1808 CG ASP A 121 34.604 -2.097 19.732 1.00 11.43 C ATOM 1809 OD1 ASP A 121 35.651 -1.431 19.570 1.00 9.31 O ATOM 1810 OD2 ASP A 121 34.509 -2.992 20.593 1.00 7.72 O ATOM 1811 HA ASP A 121 34.743 -1.399 17.210 1.00 0.00 H ATOM 1812 HB2 ASP A 121 32.995 -0.844 19.092 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.646 -2.588 19.029 1.00 0.00 H ATOM 1814 H ASP A 121 31.821 -0.995 16.847 1.00 0.00 H ATOM 1815 N ALA A 122 32.672 -3.869 16.560 1.00 5.15 N ATOM 1816 CA ALA A 122 32.610 -5.291 16.205 1.00 8.13 C ATOM 1817 C ALA A 122 31.238 -5.686 15.714 1.00 8.77 C ATOM 1818 O ALA A 122 30.267 -4.974 15.913 1.00 7.47 O ATOM 1819 CB ALA A 122 32.967 -6.140 17.404 1.00 9.92 C ATOM 1820 HA ALA A 122 33.325 -5.457 15.399 1.00 0.00 H ATOM 1821 HB1 ALA A 122 33.977 -5.896 17.733 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.263 -5.941 18.212 1.00 0.00 H ATOM 1823 HB3 ALA A 122 32.918 -7.194 17.129 1.00 0.00 H ATOM 1824 H ALA A 122 31.796 -3.309 16.584 1.00 0.00 H ATOM 1825 N SER A 123 31.155 -6.850 15.082 1.00 10.75 N ATOM 1826 CA SER A 123 29.860 -7.444 14.814 1.00 10.42 C ATOM 1827 C SER A 123 29.897 -8.839 15.397 1.00 13.10 C ATOM 1828 O SER A 123 30.936 -9.504 15.370 1.00 14.00 O ATOM 1829 CB SER A 123 29.536 -7.480 13.321 1.00 13.13 C ATOM 1830 OG SER A 123 30.452 -8.300 12.628 1.00 15.75 O ATOM 1831 HA SER A 123 29.071 -6.845 15.269 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.588 -6.468 12.920 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.529 -7.873 13.183 1.00 0.00 H ATOM 1834 HG SER A 123 31.368 -7.944 12.747 1.00 0.00 H ATOM 1835 H SER A 123 32.022 -7.338 14.778 1.00 0.00 H ATOM 1836 N VAL A 124 28.772 -9.269 15.955 1.00 8.69 N ATOM 1837 CA VAL A 124 28.710 -10.577 16.594 1.00 15.34 C ATOM 1838 C VAL A 124 27.457 -11.348 16.223 1.00 14.85 C ATOM 1839 O VAL A 124 26.450 -10.804 15.764 1.00 16.08 O ATOM 1840 CB VAL A 124 28.798 -10.469 18.127 1.00 10.70 C ATOM 1841 CG1 VAL A 124 30.155 -9.927 18.558 1.00 15.17 C ATOM 1842 CG2 VAL A 124 27.674 -9.602 18.662 1.00 14.35 C ATOM 1843 HA VAL A 124 29.575 -11.125 16.221 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.440 -12.562 16.417 1.00 16.93 O ATOM 1845 HB VAL A 124 28.690 -11.469 18.547 1.00 0.00 H ATOM 1846 HG11 VAL A 124 30.940 -10.597 18.208 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.302 -8.936 18.128 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.190 -9.861 19.645 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.750 -8.604 18.230 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.715 -10.044 18.391 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.752 -9.537 19.747 1.00 0.00 H ATOM 1852 H VAL A 124 27.925 -8.665 15.936 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 31.120 7.706 26.081 1.00 5.60 O HETATM 1855 O HOH 2 34.909 -5.538 -3.362 1.00 14.34 O HETATM 1856 O HOH 3 37.473 -0.578 21.146 1.00 8.20 O HETATM 1857 O HOH 4 32.135 -6.967 25.025 1.00 6.48 O HETATM 1858 O HOH 5 32.956 -5.040 21.892 1.00 6.86 O HETATM 1859 O HOH 6 34.016 8.627 14.049 1.00 13.75 O HETATM 1860 O HOH 7 25.004 10.545 13.856 1.00 13.18 O HETATM 1861 O HOH 8 17.812 -0.069 16.666 1.00 12.84 O HETATM 1862 O HOH 9 27.177 8.926 14.059 1.00 8.71 O HETATM 1863 O HOH 10 41.112 -1.171 9.889 1.00 20.87 O HETATM 1864 O HOH 11 27.094 14.225 19.494 1.00 14.48 O HETATM 1865 O HOH 12 16.607 0.161 9.476 1.00 15.32 O HETATM 1866 O HOH 13 37.528 6.834 30.108 1.00 14.94 O HETATM 1867 O HOH 14 34.645 5.941 21.947 1.00 13.98 O HETATM 1868 O HOH 15 49.955 -7.308 0.000 1.00 36.35 O HETATM 1869 O HOH 16 34.881 -9.567 3.711 1.00 16.58 O HETATM 1870 O HOH 17 30.547 14.042 17.012 1.00 13.18 O HETATM 1871 O HOH 18 18.518 -1.026 26.729 1.00 15.41 O HETATM 1872 O HOH 19 35.685 3.498 23.055 1.00 11.55 O HETATM 1873 O HOH 20 41.480 -4.442 25.761 1.00 12.89 O HETATM 1874 O HOH 21 22.317 8.086 19.157 1.00 16.63 O HETATM 1875 O HOH 22 26.570 13.469 11.411 1.00 27.48 O HETATM 1876 O HOH 23 25.177 12.869 26.412 1.00 15.74 O HETATM 1877 O HOH 24 29.039 -3.395 -8.975 1.00 21.45 O HETATM 1878 O HOH 25 20.140 6.188 21.338 1.00 20.87 O HETATM 1879 O HOH 26 17.180 6.738 17.006 1.00 16.29 O HETATM 1880 O HOH 27 29.589 6.526 -1.316 1.00 26.04 O HETATM 1881 O HOH 28 25.098 0.448 31.450 1.00 15.19 O HETATM 1882 O HOH 29 29.274 12.287 7.053 1.00 17.70 O HETATM 1883 O HOH 30 33.066 -8.645 -10.021 1.00 18.83 O HETATM 1884 O HOH 31 29.982 4.115 29.866 1.00 17.82 O HETATM 1885 O HOH 32 22.275 -8.516 21.127 1.00 17.86 O HETATM 1886 O HOH 33 46.741 -1.442 4.091 1.00 23.18 O HETATM 1887 O HOH 34 33.668 15.551 16.937 1.00 21.99 O HETATM 1888 O HOH 35 29.099 -14.313 17.517 1.00 23.51 O HETATM 1889 O HOH 36 39.781 7.064 -1.172 1.00 31.82 O HETATM 1890 O HOH 37 21.312 8.668 22.364 1.00 22.90 O HETATM 1891 O HOH 38 39.145 0.646 -3.352 1.00 24.16 O HETATM 1892 O HOH 39 29.366 12.695 19.254 1.00 13.59 O HETATM 1893 O HOH 40 29.317 16.762 22.697 1.00 24.11 O HETATM 1894 O HOH 41 24.045 -8.324 -5.326 1.00 23.07 O HETATM 1895 O HOH 42 40.600 1.162 28.064 1.00 21.00 O HETATM 1896 O HOH 43 17.926 -6.244 8.956 1.00 25.38 O HETATM 1897 O HOH 44 18.371 -3.332 17.739 1.00 16.19 O HETATM 1898 O HOH 45 17.674 0.999 5.657 1.00 25.16 O HETATM 1899 O HOH 46 34.008 -7.803 14.437 1.00 19.49 O HETATM 1900 O HOH 47 33.393 -9.990 16.577 1.00 19.77 O HETATM 1901 O HOH 48 23.169 -11.546 4.559 1.00 33.43 O HETATM 1902 O HOH 49 38.153 -7.332 -5.029 1.00 26.13 O HETATM 1903 O HOH 50 37.412 8.191 22.305 1.00 26.42 O HETATM 1904 O HOH 51 18.456 -8.317 5.886 1.00 30.98 O HETATM 1905 O HOH 52 38.532 8.449 6.675 1.00 29.77 O HETATM 1906 O HOH 53 24.761 -13.421 8.389 1.00 23.62 O HETATM 1907 O HOH 54 21.868 6.704 7.145 1.00 20.91 O HETATM 1908 O HOH 55 34.501 -9.477 -2.893 1.00 22.06 O HETATM 1909 O HOH 56 37.586 -2.445 17.120 1.00 22.84 O HETATM 1910 O HOH 57 30.561 -10.336 6.990 1.00 27.72 O HETATM 1911 O HOH 58 30.475 -15.169 10.367 1.00 24.06 O HETATM 1912 O HOH 59 19.233 -8.207 9.860 1.00 21.59 O HETATM 1913 O HOH 60 37.450 1.421 -6.900 1.00 34.70 O HETATM 1914 O HOH 61 18.322 9.370 16.587 1.00 20.81 O HETATM 1915 O HOH 62 26.868 -14.234 14.001 1.00 24.22 O HETATM 1916 O HOH 63 33.355 21.215 7.341 1.00 31.97 O HETATM 1917 O HOH 64 16.771 -7.833 12.344 1.00 24.11 O HETATM 1918 O HOH 65 24.405 -12.414 15.270 1.00 27.27 O HETATM 1919 O HOH 66 30.534 -10.661 -2.256 1.00 28.52 O HETATM 1920 O HOH 67 19.411 -12.380 17.250 1.00 33.24 O HETATM 1921 O HOH 68 27.638 -14.002 5.391 1.00 33.13 O HETATM 1922 O HOH 69 18.525 3.232 27.471 1.00 22.34 O HETATM 1923 O HOH 70 43.170 -8.078 -5.110 1.00 35.83 O HETATM 1924 O HOH 71 24.906 -4.761 29.833 1.00 21.08 O HETATM 1925 O HOH 72 26.905 5.361 -0.646 1.00 28.76 O HETATM 1926 O HOH 73 23.862 6.039 4.580 1.00 15.30 O HETATM 1927 O HOH 74 24.029 8.070 7.539 1.00 20.91 O HETATM 1928 O HOH 75 33.811 11.556 19.766 1.00 21.63 O HETATM 1929 O HOH 76 43.869 5.217 -3.103 1.00 33.82 O HETATM 1930 O HOH 77 28.386 16.754 20.069 1.00 29.46 O HETATM 1931 O HOH 78 30.584 -1.764 29.821 1.00 25.06 O HETATM 1932 O HOH 79 26.853 -3.034 -5.039 1.00 29.96 O HETATM 1933 O HOH 80 23.863 -13.477 13.081 1.00 26.54 O HETATM 1934 O HOH 81 28.059 -6.339 29.320 1.00 21.04 O HETATM 1935 O HOH 82 43.527 -0.217 25.472 1.00 26.45 O HETATM 1936 O HOH 83 17.671 -2.581 -1.403 1.00 40.29 O HETATM 1937 O HOH 84 21.244 12.773 13.166 1.00 24.63 O HETATM 1938 O HOH 85 42.880 5.584 4.256 1.00 34.30 O HETATM 1939 O HOH 86 15.054 -0.990 1.965 1.00 34.58 O HETATM 1940 O HOH 87 37.523 13.401 10.392 1.00 29.35 O HETATM 1941 O HOH 88 17.205 2.732 21.638 1.00 20.49 O HETATM 1942 O HOH 89 45.731 -5.096 4.933 1.00 31.99 O HETATM 1943 O HOH 90 34.322 4.459 -6.066 1.00 24.83 O HETATM 1944 O HOH 91 24.797 -12.993 3.372 1.00 31.46 O HETATM 1945 O HOH 92 31.854 -6.670 11.299 1.00 21.31 O HETATM 1946 O HOH 93 22.050 1.522 27.523 1.00 23.02 O HETATM 1947 O HOH 94 40.459 -1.963 -6.631 1.00 31.45 O HETATM 1948 O HOH 95 18.226 10.230 12.813 1.00 26.38 O HETATM 1949 O HOH 96 16.204 -3.509 11.056 1.00 32.48 O HETATM 1950 O HOH 97 36.750 12.882 14.552 1.00 30.73 O HETATM 1951 O HOH 98 45.962 -3.858 -6.250 1.00 34.24 O HETATM 1952 O HOH 99 31.695 13.888 6.597 1.00 22.71 O HETATM 1953 O HOH 100 27.762 18.606 23.357 1.00 24.89 O HETATM 1954 O HOH 101 28.791 1.686 -4.854 1.00 36.61 O HETATM 1955 O HOH 102 27.810 16.194 13.428 1.00 28.39 O HETATM 1956 O HOH 103 42.132 0.802 10.480 1.00 29.67 O HETATM 1957 O HOH 104 39.645 11.672 9.613 1.00 39.25 O HETATM 1958 O HOH 105 28.691 -3.286 30.881 1.00 32.42 O HETATM 1959 O HOH 106 44.771 -11.975 -2.529 1.00 31.99 O HETATM 1960 O HOH 107 30.611 -6.335 29.224 1.00 19.20 O HETATM 1961 O HOH 108 38.968 3.289 17.497 1.00 31.91 O HETATM 1962 O HOH 109 22.766 4.742 26.689 1.00 20.96 O HETATM 1963 O HOH 110 31.503 -11.558 13.620 1.00 27.09 O HETATM 1964 O HOH 111 47.844 0.356 2.092 1.00 27.19 O HETATM 1965 O HOH 112 43.503 -11.445 -4.240 1.00 39.33 O HETATM 1966 O HOH 113 20.375 9.903 18.700 1.00 26.91 O HETATM 1967 O HOH 114 28.873 15.772 16.348 1.00 23.60 O HETATM 1968 O HOH 115 48.535 -1.584 0.119 1.00 32.49 O HETATM 1969 O HOH 116 30.195 3.720 -4.454 1.00 31.74 O HETATM 1970 O HOH 117 17.171 -9.809 15.349 1.00 27.56 O HETATM 1971 O HOH 118 36.327 10.125 15.293 1.00 26.93 O HETATM 1972 O HOH 119 22.204 13.685 15.857 1.00 19.87 O HETATM 1973 O HOH 120 24.649 12.950 15.101 1.00 14.37 O HETATM 1974 O HOH 121 26.103 14.671 16.965 1.00 19.23 O HETATM 1975 O HOH 122 32.548 -11.533 -3.292 1.00 29.80 O HETATM 1976 O HOH 123 16.947 3.358 5.515 1.00 26.75 O HETATM 1977 O HOH 124 17.209 -2.566 15.428 1.00 16.19 O HETATM 1978 O HOH 125 20.752 12.837 17.557 1.00 28.65 O HETATM 1979 O HOH 126 22.285 -4.936 29.676 1.00 18.50 O HETATM 1980 O HOH 127 23.691 1.689 29.453 1.00 17.84 O HETATM 1981 O HOH 128 28.907 -9.676 22.653 1.00 13.54 O HETATM 1982 O HOH 129 40.745 -6.554 22.693 1.00 18.36 O HETATM 1983 O HOH 130 36.409 2.113 21.149 1.00 12.77 O HETATM 1984 O HOH 131 39.588 -0.841 19.616 1.00 28.16 O HETATM 1985 O HOH 132 36.409 0.200 33.462 1.00 24.51 O HETATM 1986 O HOH 133 37.491 0.879 31.388 1.00 24.81 O HETATM 1987 O HOH 134 35.620 6.052 25.852 1.00 21.47 O HETATM 1988 O HOH 135 46.926 -13.061 -2.322 1.00 33.69 O HETATM 1989 O HOH 136 36.655 -9.995 -3.994 1.00 26.35 O HETATM 1990 O HOH 137 21.723 -12.247 26.256 1.00 27.38 O HETATM 1991 O HOH 138 21.879 -9.795 27.701 1.00 17.86 O HETATM 1992 O HOH 139 32.029 12.923 20.332 1.00 26.19 O HETATM 1993 O HOH 140 32.615 15.715 18.902 1.00 28.48 O HETATM 1994 O HOH 141 31.474 -13.653 17.711 1.00 27.21 O HETATM 1995 O HOH 142 21.720 12.168 23.925 1.00 22.19 O HETATM 1996 O HOH 143 14.111 4.034 10.784 1.00 28.85 O HETATM 1997 O HOH 144 33.630 18.478 6.379 1.00 29.32 O HETATM 1998 O HOH 145 25.563 14.553 13.122 1.00 25.41 O HETATM 1999 O HOH 146 36.579 8.772 20.074 1.00 30.17 O HETATM 2000 O HOH 147 36.083 10.113 18.059 1.00 32.18 O HETATM 2001 O HOH 148 28.711 -1.294 -5.579 1.00 31.28 O HETATM 2002 O HOH 149 24.191 12.916 7.643 1.00 26.47 O HETATM 2003 O HOH 150 35.374 2.780 -7.841 1.00 30.87 O HETATM 2004 O HOH 151 40.823 5.919 6.541 1.00 30.17 O HETATM 2005 O HOH 152 47.680 -1.504 6.640 1.00 33.60 O HETATM 2006 O HOH 153 22.758 12.838 10.942 1.00 24.00 O HETATM 2007 O HOH 154 25.387 -3.992 31.922 1.00 29.39 O HETATM 2008 O HOH 155 29.805 -0.512 32.530 1.00 30.31 O HETATM 2009 O HOH 156 38.527 3.646 19.887 1.00 29.94 O HETATM 2010 O HOH 157 25.401 -11.511 22.199 1.00 31.68 O HETATM 2011 O HOH 158 35.275 1.133 18.772 1.00 11.99 O HETATM 2012 O HOH 159 36.855 1.239 16.789 1.00 26.77 O HETATM 2013 O HOH 160 31.108 -3.707 30.760 1.00 22.60 O HETATM 2014 O HOH 161 18.661 -0.431 2.747 1.00 31.75 O HETATM 2015 O HOH 162 31.106 -10.084 10.152 1.00 29.64 O HETATM 2016 O HOH 163 23.481 15.613 10.164 1.00 28.79 O HETATM 2017 O HOH 164 36.204 -6.599 -12.004 1.00 29.76 O HETATM 2018 O HOH 165 27.779 1.012 -8.976 1.00 29.61 O HETATM 2019 O HOH 166 40.816 -0.168 15.007 1.00 42.77 O HETATM 2020 O HOH 167 39.444 -0.150 13.515 1.00 36.73 O HETATM 2021 O HOH 168 30.187 -12.382 7.879 1.00 30.90 O HETATM 2022 O HOH 169 37.328 15.834 6.192 1.00 40.26 O HETATM 2023 O HOH 170 33.993 5.947 12.505 1.00 14.44 O HETATM 2024 C4 UNN A 171 34.603 -4.422 12.323 1.00 0.16 C HETATM 2025 C5 UNN A 171 35.587 -4.255 13.268 1.00 -0.06 C HETATM 2026 C6 UNN A 171 36.263 -3.050 13.283 1.00 0.03 C HETATM 2027 N1 UNN A 171 35.933 -2.100 12.432 1.00 -0.25 N HETATM 2028 C7 UNN A 171 36.784 -0.906 12.522 1.00 0.07 C HETATM 2029 C8 UNN A 171 36.432 0.544 12.531 1.00 0.06 C HETATM 2030 C9 UNN A 171 36.452 1.355 13.694 1.00 0.07 C HETATM 2031 N7 UNN A 171 36.119 2.626 13.256 1.00 -0.15 N HETATM 2032 N6 UNN A 171 36.009 2.616 11.960 1.00 -0.10 N HETATM 2033 N5 UNN A 171 36.176 1.408 11.476 1.00 -0.22 N HETATM 2034 C1' UNN A 171 36.081 3.701 14.199 1.00 0.22 C HETATM 2035 O4' UNN A 171 35.961 4.983 13.673 1.00 -0.33 O HETATM 2036 C4' UNN A 171 37.235 5.349 13.077 1.00 0.11 C HETATM 2037 C5' UNN A 171 37.437 6.839 13.162 1.00 0.07 C HETATM 2038 O5' UNN A 171 38.659 7.220 12.547 1.00 -0.39 O HETATM 2039 H13 UNN A 171 38.765 8.162 12.613 1.00 0.21 H HETATM 2040 H11 UNN A 171 37.457 7.140 14.220 1.00 0.06 H HETATM 2041 H12 UNN A 171 36.604 7.345 12.652 1.00 0.06 H HETATM 2042 C3' UNN A 171 38.286 4.485 13.783 1.00 0.11 C HETATM 2043 O3' UNN A 171 39.084 3.742 12.876 1.00 -0.39 O HETATM 2044 H15 UNN A 171 39.716 3.226 13.362 1.00 0.21 H HETATM 2045 C2' UNN A 171 37.488 3.609 14.766 1.00 0.14 C HETATM 2046 O2' UNN A 171 37.496 4.174 16.069 1.00 -0.38 O HETATM 2047 H17 UNN A 171 36.999 3.618 16.657 1.00 0.21 H HETATM 2048 H16 UNN A 171 37.862 2.575 14.791 1.00 0.07 H HETATM 2049 H14 UNN A 171 38.961 5.138 14.356 1.00 0.06 H HETATM 2050 H10 UNN A 171 37.230 5.080 12.011 1.00 0.06 H HETATM 2051 H9 UNN A 171 35.299 3.534 14.954 1.00 0.10 H HETATM 2052 H6 UNN A 171 36.680 1.045 14.713 1.00 0.09 H HETATM 2053 H4 UNN A 171 37.341 -1.049 13.460 1.00 0.06 H HETATM 2054 H5 UNN A 171 37.471 -1.006 11.669 1.00 0.06 H HETATM 2055 C2 UNN A 171 34.969 -2.290 11.468 1.00 0.29 C HETATM 2056 N3 UNN A 171 34.322 -3.438 11.442 1.00 -0.20 N HETATM 2057 H7 UNN A 171 33.609 -3.583 10.756 1.00 0.23 H HETATM 2058 O2 UNN A 171 34.670 -1.343 10.622 1.00 -0.39 O HETATM 2059 H2 UNN A 171 37.325 -3.279 13.108 1.00 0.05 H HETATM 2060 H3 UNN A 171 36.140 -2.629 14.292 1.00 0.05 H HETATM 2061 H1 UNN A 171 35.825 -5.044 13.979 1.00 -0.00 H HETATM 2062 O4 UNN A 171 33.927 -5.592 12.289 1.00 -0.32 O HETATM 2063 H8 UNN A 171 33.002 -5.426 12.426 1.00 0.25 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 367 366 1248 CONECT 604 603 1411 CONECT 872 871 1645 CONECT 972 971 1070 CONECT 1070 972 1069 CONECT 1248 367 1247 CONECT 1411 604 1410 CONECT 1645 872 1644 CONECT 2024 2025 2056 2062 CONECT 2025 2024 2026 2061 CONECT 2026 2025 2027 2059 2060 CONECT 2027 2026 2028 2055 CONECT 2028 2027 2029 2053 2054 CONECT 2029 2028 2030 2033 CONECT 2030 2029 2031 2052 CONECT 2031 2030 2032 2034 CONECT 2032 2031 2033 CONECT 2033 2029 2032 CONECT 2034 2031 2035 2045 2051 CONECT 2035 2034 2036 CONECT 2036 2035 2037 2042 2050 CONECT 2037 2036 2038 2040 2041 CONECT 2038 2037 2039 CONECT 2039 2038 CONECT 2040 2037 CONECT 2041 2037 CONECT 2042 2036 2043 2045 2049 CONECT 2043 2042 2044 CONECT 2044 2043 CONECT 2045 2034 2042 2046 2048 CONECT 2046 2045 2047 CONECT 2047 2046 CONECT 2048 2045 CONECT 2049 2042 CONECT 2050 2036 CONECT 2051 2034 CONECT 2052 2030 CONECT 2053 2028 CONECT 2054 2028 CONECT 2055 2027 2056 2058 CONECT 2056 2024 2055 2057 CONECT 2057 2056 CONECT 2058 2055 CONECT 2059 2026 CONECT 2060 2026 CONECT 2061 2025 CONECT 2062 2024 2063 CONECT 2063 2062 MASTER 0 0 0 0 0 0 0 0 2062 1 52 10 END
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Structure:
Ligand 2D
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124aa, >1AFK_1|Chains... at 99%
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124aa, >1AFL_1|Chains... at 99%
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124aa, >1DFJ_1|Chain... at 99%
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104aa, >1J7Z_2|Chain... at 99%
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1j81
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104aa, >1J81_2|Chain... at 99%
1jn4
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124aa, >1O0F_1|Chains... at 99%
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RCSB PDB
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1o0m
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PDBbind
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1o0n
RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
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1w4o
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PDBbind
124aa, >1W4O_1|Chains... at 99%
1w4p
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PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
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PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
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PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
2w5i
RCSB PDB
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RCSB PDB
PDBbind
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PDBbind
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3d6o
RCSB PDB
PDBbind
124aa, >3D6O_1|Chains... at 99%
3d6p
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PDBbind
124aa, >3D6P_1|Chains... at 99%
3d6q
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PDBbind
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3d7b
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PDBbind
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124aa, >3D8Y_1|Chains... at 99%
3d8z
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124aa, >3D8Z_1|Chains... at 99%
3dxg
RCSB PDB
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3dxh
RCSB PDB
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124aa, >3DXH_1|Chains... at 99%
3lxo
RCSB PDB
PDBbind
124aa, >3LXO_1|Chain... at 99%
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RCSB PDB
PDBbind
124aa, >4G8Y_1|Chains... at 99%
4g90
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PDBbind
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4peq
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124aa, >4RSK_1|Chain... at 96%
4wyp
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PDBbind
125aa, >4WYZ_1|Chains... at 100%
6rsa
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124aa, >6RSA_1|Chain... at 99%
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124aa, >6PVX_1|Chains... at 99%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4g8v
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Ribonuclease pancreatic
Ligand Name
0EY
EC.Number
E.C.3.1.27.5
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Ki=1.6uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Bioorg.Med.Chem. Vol. 20: pp. 7184-7193
Ligand Properties
Formula
C
1
2
H
1
7
N
5
O
6
Molecular Weight
327.293
Exact Mass
327.118
No. of atoms
40
No. of bonds
42
Polar Surface Area
153.2
LOGP Value
-2.90 (
Computed with XLOGP3
)
-1.92 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 3
Canonical SMILES
OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)n1nnc(c1)CN1CC=C(NC1=O)O
InChI String
InChI=1S/C12H17N5O6/c18-5-7-9(20)10(21)11(23-7)17-4-6(14-15-17)3-16-2-1-8(19)13-12(16)22/h1,4,7,9-11,18-21H,2-3,5H2,(H,13,22)/t7-,9-,10+,11+/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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