Browse entries in the PDBbind-CN Database
HEADER 1Z6S_COMPLEX COMPND 1Z6S_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 AMP A 295 35 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 34.479 21.604 9.900 1.00 33.15 N ATOM 2 CA LYS A 1 35.305 20.372 10.076 1.00 33.23 C ATOM 3 C LYS A 1 34.418 19.161 10.354 1.00 32.73 C ATOM 4 O LYS A 1 33.256 19.315 10.745 1.00 32.49 O ATOM 5 CB LYS A 1 36.315 20.574 11.212 1.00 33.72 C ATOM 6 CG LYS A 1 35.705 20.517 12.598 1.00 34.90 C ATOM 7 CD LYS A 1 36.421 21.424 13.583 1.00 37.21 C ATOM 8 CE LYS A 1 36.104 21.009 15.017 1.00 38.01 C ATOM 9 NZ LYS A 1 34.691 20.538 15.193 1.00 38.23 N ATOM 10 HA LYS A 1 35.851 20.184 9.151 1.00 0.00 H ATOM 11 HB2 LYS A 1 37.074 19.795 11.139 1.00 0.00 H ATOM 12 HB3 LYS A 1 36.785 21.549 11.084 1.00 0.00 H ATOM 13 HG2 LYS A 1 34.661 20.824 12.534 1.00 0.00 H ATOM 14 HG3 LYS A 1 35.759 19.491 12.963 1.00 0.00 H ATOM 15 HD2 LYS A 1 37.496 21.355 13.418 1.00 0.00 H ATOM 16 HD3 LYS A 1 36.096 22.452 13.426 1.00 0.00 H ATOM 17 HE2 LYS A 1 36.269 21.865 15.671 1.00 0.00 H ATOM 18 HE3 LYS A 1 36.778 20.201 15.302 1.00 0.00 H ATOM 19 HZ1 LYS A 1 34.037 21.304 14.933 1.00 0.00 H ATOM 20 HZ2 LYS A 1 34.523 19.714 14.581 1.00 0.00 H ATOM 21 HZ3 LYS A 1 34.537 20.271 16.186 1.00 0.00 H ATOM 22 HN3 LYS A 1 33.932 21.780 10.767 1.00 0.00 H ATOM 23 HN2 LYS A 1 33.829 21.473 9.099 1.00 0.00 H ATOM 24 HN1 LYS A 1 35.103 22.414 9.712 1.00 0.00 H ATOM 25 N GLU A 2 34.982 17.967 10.157 1.00 31.93 N ATOM 26 CA GLU A 2 34.270 16.703 10.340 1.00 31.10 C ATOM 27 C GLU A 2 34.315 16.205 11.784 1.00 30.50 C ATOM 28 O GLU A 2 35.383 15.888 12.327 1.00 30.06 O ATOM 29 CB GLU A 2 34.814 15.627 9.388 1.00 31.50 C ATOM 30 CG GLU A 2 34.022 14.326 9.440 1.00 30.96 C ATOM 31 CD GLU A 2 34.602 13.208 8.582 1.00 30.87 C ATOM 32 OE1 GLU A 2 35.776 12.832 8.776 1.00 31.06 O ATOM 33 OE2 GLU A 2 33.858 12.669 7.738 1.00 31.11 O ATOM 34 HA GLU A 2 33.225 16.897 10.100 1.00 0.00 H ATOM 35 HB2 GLU A 2 34.779 16.014 8.370 1.00 0.00 H ATOM 36 HB3 GLU A 2 35.848 15.415 9.659 1.00 0.00 H ATOM 37 HG2 GLU A 2 33.993 13.984 10.475 1.00 0.00 H ATOM 38 HG3 GLU A 2 33.007 14.529 9.098 1.00 0.00 H ATOM 39 H GLU A 2 35.978 17.934 9.858 1.00 0.00 H ATOM 40 N THR A 3 33.135 16.124 12.390 1.00 29.67 N ATOM 41 CA THR A 3 32.990 15.599 13.745 1.00 29.00 C ATOM 42 C THR A 3 33.162 14.085 13.770 1.00 28.66 C ATOM 43 O THR A 3 33.107 13.424 12.728 1.00 28.23 O ATOM 44 CB THR A 3 31.615 15.943 14.337 1.00 29.39 C ATOM 45 OG1 THR A 3 30.583 15.348 13.537 1.00 30.06 O ATOM 46 CG2 THR A 3 31.409 17.446 14.400 1.00 29.00 C ATOM 47 HA THR A 3 33.770 16.067 14.346 1.00 0.00 H ATOM 48 HB THR A 3 31.570 15.548 15.352 1.00 0.00 H ATOM 49 HG1 THR A 3 29.699 15.572 13.922 1.00 0.00 H ATOM 50 HG23 THR A 3 32.195 17.894 15.008 1.00 0.00 H ATOM 51 HG21 THR A 3 31.448 17.859 13.392 1.00 0.00 H ATOM 52 HG22 THR A 3 30.437 17.660 14.845 1.00 0.00 H ATOM 53 H THR A 3 32.286 16.445 11.882 1.00 0.00 H ATOM 54 N ALA A 4 33.379 13.542 14.965 1.00 27.99 N ATOM 55 CA ALA A 4 33.491 12.094 15.149 1.00 27.30 C ATOM 56 C ALA A 4 32.212 11.379 14.701 1.00 27.00 C ATOM 57 O ALA A 4 32.267 10.314 14.082 1.00 25.98 O ATOM 58 CB ALA A 4 33.805 11.777 16.608 1.00 27.65 C ATOM 59 HA ALA A 4 34.308 11.730 14.526 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.747 12.249 16.886 1.00 0.00 H ATOM 61 HB2 ALA A 4 33.005 12.159 17.242 1.00 0.00 H ATOM 62 HB3 ALA A 4 33.886 10.697 16.735 1.00 0.00 H ATOM 63 H ALA A 4 33.472 14.165 15.793 1.00 0.00 H ATOM 64 N ALA A 5 31.067 11.991 14.997 1.00 26.90 N ATOM 65 CA ALA A 5 29.771 11.465 14.560 1.00 25.95 C ATOM 66 C ALA A 5 29.681 11.419 13.028 1.00 25.35 C ATOM 67 O ALA A 5 29.270 10.404 12.462 1.00 24.52 O ATOM 68 CB ALA A 5 28.629 12.280 15.160 1.00 26.29 C ATOM 69 HA ALA A 5 29.679 10.441 14.923 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.682 12.231 16.248 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.716 13.317 14.837 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.676 11.872 14.822 1.00 0.00 H ATOM 73 H ALA A 5 31.093 12.868 15.555 1.00 0.00 H ATOM 74 N ALA A 6 30.084 12.511 12.365 1.00 23.94 N ATOM 75 CA ALA A 6 30.141 12.535 10.904 1.00 23.46 C ATOM 76 C ALA A 6 31.141 11.529 10.329 1.00 23.50 C ATOM 77 O ALA A 6 30.872 10.874 9.317 1.00 23.69 O ATOM 78 CB ALA A 6 30.452 13.965 10.385 1.00 23.40 C ATOM 79 HA ALA A 6 29.153 12.235 10.553 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.671 14.649 10.717 1.00 0.00 H ATOM 81 HB2 ALA A 6 31.414 14.292 10.779 1.00 0.00 H ATOM 82 HB3 ALA A 6 30.489 13.955 9.296 1.00 0.00 H ATOM 83 H ALA A 6 30.362 13.359 12.900 1.00 0.00 H ATOM 84 N LYS A 7 32.301 11.410 10.955 1.00 23.42 N ATOM 85 CA LYS A 7 33.269 10.412 10.523 1.00 24.19 C ATOM 86 C LYS A 7 32.686 8.996 10.603 1.00 24.18 C ATOM 87 O LYS A 7 32.876 8.186 9.696 1.00 24.38 O ATOM 88 CB LYS A 7 34.565 10.534 11.327 1.00 25.12 C ATOM 89 CG LYS A 7 35.666 9.615 10.853 1.00 27.85 C ATOM 90 CD LYS A 7 36.935 9.897 11.611 1.00 32.92 C ATOM 91 CE LYS A 7 38.028 8.938 11.212 1.00 35.09 C ATOM 92 NZ LYS A 7 39.275 9.262 11.970 1.00 37.26 N ATOM 93 HA LYS A 7 33.506 10.601 9.476 1.00 0.00 H ATOM 94 HB2 LYS A 7 34.920 11.562 11.253 1.00 0.00 H ATOM 95 HB3 LYS A 7 34.347 10.300 12.369 1.00 0.00 H ATOM 96 HG2 LYS A 7 35.369 8.580 11.019 1.00 0.00 H ATOM 97 HG3 LYS A 7 35.838 9.776 9.789 1.00 0.00 H ATOM 98 HD2 LYS A 7 37.259 10.916 11.398 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.743 9.794 12.679 1.00 0.00 H ATOM 100 HE2 LYS A 7 38.219 9.028 10.143 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.718 7.918 11.440 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.569 10.235 11.751 1.00 0.00 H ATOM 103 HZ2 LYS A 7 39.092 9.175 12.990 1.00 0.00 H ATOM 104 HZ3 LYS A 7 40.029 8.600 11.694 1.00 0.00 H ATOM 105 H LYS A 7 32.522 12.032 11.759 1.00 0.00 H ATOM 106 N PHE A 8 31.946 8.710 11.669 1.00 23.11 N ATOM 107 CA PHE A 8 31.303 7.398 11.784 1.00 22.65 C ATOM 108 C PHE A 8 30.317 7.183 10.622 1.00 22.26 C ATOM 109 O PHE A 8 30.259 6.105 10.022 1.00 21.86 O ATOM 110 CB PHE A 8 30.602 7.250 13.152 1.00 22.61 C ATOM 111 CG PHE A 8 29.834 5.964 13.283 1.00 21.26 C ATOM 112 CD1 PHE A 8 28.524 5.881 12.818 1.00 22.97 C ATOM 113 CD2 PHE A 8 30.430 4.835 13.841 1.00 21.38 C ATOM 114 CE1 PHE A 8 27.827 4.687 12.897 1.00 22.73 C ATOM 115 CE2 PHE A 8 29.735 3.640 13.938 1.00 21.97 C ATOM 116 CZ PHE A 8 28.427 3.555 13.461 1.00 23.20 C ATOM 117 HA PHE A 8 32.070 6.626 11.723 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.359 7.284 13.936 1.00 0.00 H ATOM 119 HB3 PHE A 8 29.910 8.083 13.280 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.456 4.892 14.206 1.00 0.00 H ATOM 121 HE2 PHE A 8 30.210 2.767 14.387 1.00 0.00 H ATOM 122 HZ PHE A 8 27.877 2.616 13.527 1.00 0.00 H ATOM 123 HE1 PHE A 8 26.807 4.628 12.518 1.00 0.00 H ATOM 124 HD1 PHE A 8 28.044 6.761 12.389 1.00 0.00 H ATOM 125 H PHE A 8 31.823 9.417 12.422 1.00 0.00 H ATOM 126 N GLU A 9 29.520 8.198 10.321 1.00 22.57 N ATOM 127 CA GLU A 9 28.597 8.102 9.193 1.00 22.68 C ATOM 128 C GLU A 9 29.328 7.845 7.864 1.00 22.48 C ATOM 129 O GLU A 9 28.896 6.998 7.064 1.00 22.28 O ATOM 130 CB GLU A 9 27.715 9.355 9.091 1.00 23.23 C ATOM 131 CG GLU A 9 26.768 9.476 10.293 1.00 24.38 C ATOM 132 CD GLU A 9 25.698 10.539 10.113 1.00 25.49 C ATOM 133 OE1 GLU A 9 25.230 10.781 8.972 1.00 27.84 O ATOM 134 OE2 GLU A 9 25.319 11.125 11.142 1.00 27.35 O ATOM 135 HA GLU A 9 27.956 7.242 9.383 1.00 0.00 H ATOM 136 HB2 GLU A 9 28.355 10.237 9.054 1.00 0.00 H ATOM 137 HB3 GLU A 9 27.123 9.298 8.178 1.00 0.00 H ATOM 138 HG2 GLU A 9 26.278 8.514 10.445 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.358 9.725 11.175 1.00 0.00 H ATOM 140 H GLU A 9 29.552 9.067 10.891 1.00 0.00 H ATOM 141 N ARG A 10 30.424 8.571 7.638 1.00 21.68 N ATOM 142 CA ARG A 10 31.189 8.413 6.402 1.00 21.72 C ATOM 143 C ARG A 10 31.769 7.011 6.327 1.00 21.43 C ATOM 144 O ARG A 10 31.759 6.360 5.275 1.00 21.65 O ATOM 145 CB ARG A 10 32.332 9.431 6.326 1.00 21.39 C ATOM 146 CG ARG A 10 33.220 9.252 5.097 1.00 21.99 C ATOM 147 CD ARG A 10 34.117 10.441 4.933 1.00 21.69 C ATOM 148 NE ARG A 10 34.936 10.718 6.104 1.00 23.22 N ATOM 149 CZ ARG A 10 36.081 10.112 6.401 1.00 24.91 C ATOM 150 NH1 ARG A 10 36.561 9.147 5.616 1.00 27.03 N ATOM 151 NH2 ARG A 10 36.735 10.470 7.506 1.00 27.28 N ATOM 152 HA ARG A 10 30.511 8.582 5.565 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.902 10.432 6.300 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.950 9.325 7.218 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.828 8.355 5.218 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.594 9.148 4.211 1.00 0.00 H ATOM 157 HD2 ARG A 10 33.498 11.315 4.730 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.777 10.261 4.085 1.00 0.00 H ATOM 159 HE ARG A 10 34.598 11.449 6.762 1.00 0.00 H ATOM 160 HH12 ARG A 10 37.458 8.679 5.857 1.00 0.00 H ATOM 161 HH11 ARG A 10 36.039 8.863 4.763 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.632 10.006 7.753 1.00 0.00 H ATOM 163 HH21 ARG A 10 36.348 11.214 8.121 1.00 0.00 H ATOM 164 H ARG A 10 30.739 9.259 8.351 1.00 0.00 H ATOM 165 N GLN A 11 32.337 6.561 7.438 1.00 22.07 N ATOM 166 CA GLN A 11 33.079 5.302 7.412 1.00 23.11 C ATOM 167 C GLN A 11 32.179 4.079 7.494 1.00 23.13 C ATOM 168 O GLN A 11 32.569 3.026 7.038 1.00 24.41 O ATOM 169 CB GLN A 11 34.125 5.231 8.525 1.00 23.36 C ATOM 170 CG GLN A 11 35.143 6.347 8.487 1.00 25.21 C ATOM 171 CD GLN A 11 36.350 6.093 9.397 1.00 26.84 C ATOM 172 OE1 GLN A 11 37.506 6.350 9.009 1.00 32.24 O ATOM 173 NE2 GLN A 11 36.093 5.610 10.600 1.00 28.07 N ATOM 174 HA GLN A 11 33.581 5.289 6.445 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.608 5.271 9.484 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.654 4.282 8.438 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.498 6.458 7.462 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.658 7.270 8.804 1.00 0.00 H ATOM 179 HE22 GLN A 11 35.112 5.410 10.881 1.00 0.00 H ATOM 180 HE21 GLN A 11 36.872 5.430 11.265 1.00 0.00 H ATOM 181 H GLN A 11 32.255 7.101 8.323 1.00 0.00 H ATOM 182 N HIS A 12 30.976 4.214 8.070 1.00 22.10 N ATOM 183 CA HIS A 12 30.224 3.017 8.481 1.00 22.73 C ATOM 184 C HIS A 12 28.773 2.925 8.093 1.00 23.25 C ATOM 185 O HIS A 12 28.182 1.865 8.279 1.00 24.46 O ATOM 186 CB HIS A 12 30.322 2.802 9.992 1.00 22.46 C ATOM 187 CG HIS A 12 31.717 2.606 10.453 1.00 23.27 C ATOM 188 ND1 HIS A 12 32.471 1.524 10.064 1.00 24.06 N ATOM 189 CD2 HIS A 12 32.496 3.337 11.276 1.00 24.03 C ATOM 190 CE1 HIS A 12 33.670 1.611 10.606 1.00 25.56 C ATOM 191 NE2 HIS A 12 33.716 2.716 11.329 1.00 24.53 N ATOM 192 HA HIS A 12 30.721 2.236 7.905 1.00 0.00 H ATOM 193 HB2 HIS A 12 29.907 3.675 10.496 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.740 1.920 10.257 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.209 4.249 11.800 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.482 0.895 10.479 1.00 0.00 H ATOM 197 H HIS A 12 30.575 5.161 8.226 1.00 0.00 H ATOM 198 N MET A 13 28.181 4.020 7.625 1.00 23.44 N ATOM 199 CA MET A 13 26.777 3.994 7.265 1.00 23.80 C ATOM 200 C MET A 13 26.573 3.819 5.769 1.00 23.53 C ATOM 201 O MET A 13 27.171 4.548 4.949 1.00 23.88 O ATOM 202 CB MET A 13 26.078 5.275 7.720 1.00 23.42 C ATOM 203 CG MET A 13 25.901 5.379 9.242 1.00 24.91 C ATOM 204 SD MET A 13 24.954 4.032 10.024 1.00 25.83 S ATOM 205 CE MET A 13 23.411 4.119 9.111 1.00 26.25 C ATOM 206 HA MET A 13 26.340 3.135 7.773 1.00 0.00 H ATOM 207 HB2 MET A 13 26.669 6.127 7.384 1.00 0.00 H ATOM 208 HB3 MET A 13 25.092 5.312 7.256 1.00 0.00 H ATOM 209 HG2 MET A 13 25.388 6.317 9.456 1.00 0.00 H ATOM 210 HG3 MET A 13 26.893 5.397 9.694 1.00 0.00 H ATOM 211 HE1 MET A 13 22.963 5.103 9.250 1.00 0.00 H ATOM 212 HE2 MET A 13 23.607 3.954 8.052 1.00 0.00 H ATOM 213 HE3 MET A 13 22.729 3.353 9.479 1.00 0.00 H ATOM 214 H MET A 13 28.727 4.898 7.517 1.00 0.00 H ATOM 215 N ASP A 14 25.710 2.873 5.407 1.00 23.61 N ATOM 216 CA ASP A 14 25.239 2.809 4.019 1.00 24.10 C ATOM 217 C ASP A 14 23.805 2.329 3.972 1.00 24.03 C ATOM 218 O ASP A 14 23.523 1.180 3.595 1.00 23.54 O ATOM 219 CB ASP A 14 26.156 1.963 3.125 1.00 24.57 C ATOM 220 CG ASP A 14 25.699 1.950 1.672 1.00 26.57 C ATOM 221 OD1 ASP A 14 24.958 2.884 1.274 1.00 28.10 O ATOM 222 OD2 ASP A 14 26.045 0.995 0.943 1.00 27.88 O ATOM 223 HA ASP A 14 25.275 3.819 3.612 1.00 0.00 H ATOM 224 HB2 ASP A 14 27.165 2.372 3.171 1.00 0.00 H ATOM 225 HB3 ASP A 14 26.163 0.939 3.499 1.00 0.00 H ATOM 226 H ASP A 14 25.371 2.181 6.106 1.00 0.00 H ATOM 227 N SER A 15 22.906 3.236 4.329 1.00 24.18 N ATOM 228 CA SER A 15 21.466 2.949 4.294 1.00 25.14 C ATOM 229 C SER A 15 20.846 2.819 2.896 1.00 27.14 C ATOM 230 O SER A 15 19.706 2.367 2.778 1.00 28.18 O ATOM 231 CB SER A 15 20.667 4.013 5.069 1.00 25.32 C ATOM 232 OG SER A 15 21.255 4.370 6.289 1.00 25.46 O ATOM 233 HA SER A 15 21.396 1.968 4.764 1.00 0.00 H ATOM 234 HB2 SER A 15 19.670 3.620 5.267 1.00 0.00 H ATOM 235 HB3 SER A 15 20.588 4.906 4.449 1.00 0.00 H ATOM 236 HG SER A 15 21.324 3.569 6.867 1.00 0.00 H ATOM 237 H SER A 15 23.229 4.174 4.642 1.00 0.00 H ATOM 238 N SER A 16 21.563 3.229 1.852 1.00 28.06 N ATOM 239 CA SER A 16 21.018 3.203 0.472 1.00 30.78 C ATOM 240 C SER A 16 20.746 1.809 -0.090 1.00 31.87 C ATOM 241 O SER A 16 19.820 1.630 -0.877 1.00 32.33 O ATOM 242 CB SER A 16 21.921 3.963 -0.494 1.00 30.78 C ATOM 243 OG SER A 16 21.875 5.352 -0.228 1.00 33.77 O ATOM 244 HA SER A 16 20.049 3.695 0.560 1.00 0.00 H ATOM 245 HB2 SER A 16 21.587 3.782 -1.516 1.00 0.00 H ATOM 246 HB3 SER A 16 22.946 3.610 -0.381 1.00 0.00 H ATOM 247 HG SER A 16 22.181 5.520 0.698 1.00 0.00 H ATOM 248 H SER A 16 22.531 3.577 2.008 1.00 0.00 H ATOM 249 N THR A 17 21.564 0.833 0.293 1.00 33.40 N ATOM 250 CA THR A 17 21.323 -0.549 -0.112 1.00 34.63 C ATOM 251 C THR A 17 20.911 -1.392 1.092 1.00 35.25 C ATOM 252 O THR A 17 21.397 -1.174 2.201 1.00 35.13 O ATOM 253 CB THR A 17 22.545 -1.177 -0.836 1.00 34.76 C ATOM 254 OG1 THR A 17 22.163 -2.441 -1.397 1.00 36.54 O ATOM 255 CG2 THR A 17 23.736 -1.359 0.112 1.00 34.35 C ATOM 256 HA THR A 17 20.505 -0.537 -0.832 1.00 0.00 H ATOM 257 HB THR A 17 22.860 -0.497 -1.628 1.00 0.00 H ATOM 258 HG1 THR A 17 22.940 -2.844 -1.859 1.00 0.00 H ATOM 259 HG23 THR A 17 24.016 -0.393 0.531 1.00 0.00 H ATOM 260 HG21 THR A 17 23.457 -2.039 0.917 1.00 0.00 H ATOM 261 HG22 THR A 17 24.578 -1.775 -0.441 1.00 0.00 H ATOM 262 H THR A 17 22.386 1.057 0.889 1.00 0.00 H ATOM 263 N SER A 18 19.991 -2.330 0.867 1.00 36.01 N ATOM 264 CA SER A 18 19.547 -3.246 1.918 1.00 36.80 C ATOM 265 C SER A 18 20.664 -4.240 2.203 1.00 37.29 C ATOM 266 O SER A 18 20.722 -4.843 3.279 1.00 36.73 O ATOM 267 CB SER A 18 18.295 -3.997 1.470 1.00 36.76 C ATOM 268 OG SER A 18 18.581 -4.820 0.350 1.00 37.37 O ATOM 269 HA SER A 18 19.310 -2.679 2.818 1.00 0.00 H ATOM 270 HB2 SER A 18 17.523 -3.277 1.198 1.00 0.00 H ATOM 271 HB3 SER A 18 17.937 -4.619 2.290 1.00 0.00 H ATOM 272 HG SER A 18 17.759 -5.298 0.075 1.00 0.00 H ATOM 273 H SER A 18 19.577 -2.413 -0.083 1.00 0.00 H ATOM 274 N ALA A 19 21.534 -4.389 1.203 1.00 38.20 N ATOM 275 CA ALA A 19 22.709 -5.262 1.203 1.00 39.01 C ATOM 276 C ALA A 19 22.530 -6.389 0.205 1.00 39.69 C ATOM 277 O ALA A 19 22.450 -7.570 0.576 1.00 40.62 O ATOM 278 CB ALA A 19 23.023 -5.795 2.560 1.00 39.49 C ATOM 279 HA ALA A 19 23.563 -4.656 0.901 1.00 0.00 H ATOM 280 HB1 ALA A 19 23.220 -4.965 3.238 1.00 0.00 H ATOM 281 HB2 ALA A 19 22.175 -6.372 2.927 1.00 0.00 H ATOM 282 HB3 ALA A 19 23.903 -6.436 2.503 1.00 0.00 H ATOM 283 H ALA A 19 21.361 -3.832 0.342 1.00 0.00 H ATOM 284 N ALA A 20 22.422 -5.985 -1.060 1.00 39.27 N ATOM 285 CA ALA A 20 22.625 -6.859 -2.199 1.00 38.70 C ATOM 286 C ALA A 20 24.069 -6.632 -2.648 1.00 38.12 C ATOM 287 O ALA A 20 24.467 -7.050 -3.742 1.00 38.93 O ATOM 288 CB ALA A 20 21.643 -6.518 -3.312 1.00 38.89 C ATOM 289 HA ALA A 20 22.454 -7.905 -1.943 1.00 0.00 H ATOM 290 HB1 ALA A 20 20.624 -6.642 -2.946 1.00 0.00 H ATOM 291 HB2 ALA A 20 21.795 -5.485 -3.625 1.00 0.00 H ATOM 292 HB3 ALA A 20 21.810 -7.184 -4.159 1.00 0.00 H ATOM 293 H ALA A 20 22.179 -4.990 -1.240 1.00 0.00 H ATOM 294 N SER A 21 24.835 -5.975 -1.769 1.00 36.90 N ATOM 295 CA SER A 21 26.252 -5.646 -1.967 1.00 35.19 C ATOM 296 C SER A 21 26.930 -6.554 -2.979 1.00 33.93 C ATOM 297 O SER A 21 27.151 -7.739 -2.700 1.00 34.14 O ATOM 298 CB SER A 21 27.000 -5.722 -0.632 1.00 35.34 C ATOM 299 OG SER A 21 26.648 -4.635 0.199 1.00 35.63 O ATOM 300 HA SER A 21 26.288 -4.631 -2.363 1.00 0.00 H ATOM 301 HB2 SER A 21 28.073 -5.696 -0.821 1.00 0.00 H ATOM 302 HB3 SER A 21 26.743 -6.655 -0.130 1.00 0.00 H ATOM 303 HG SER A 21 27.141 -4.702 1.055 1.00 0.00 H ATOM 304 H SER A 21 24.392 -5.674 -0.877 1.00 0.00 H ATOM 305 N SER A 22 27.255 -6.007 -4.150 1.00 32.01 N ATOM 306 CA SER A 22 27.911 -6.798 -5.198 1.00 30.34 C ATOM 307 C SER A 22 29.325 -7.219 -4.776 1.00 28.89 C ATOM 308 O SER A 22 29.829 -6.771 -3.752 1.00 28.32 O ATOM 309 CB SER A 22 27.937 -6.041 -6.535 1.00 30.69 C ATOM 310 OG SER A 22 29.014 -5.120 -6.616 1.00 31.02 O ATOM 311 HA SER A 22 27.323 -7.704 -5.340 1.00 0.00 H ATOM 312 HB2 SER A 22 27.000 -5.495 -6.646 1.00 0.00 H ATOM 313 HB3 SER A 22 28.033 -6.764 -7.345 1.00 0.00 H ATOM 314 HG SER A 22 28.988 -4.659 -7.492 1.00 0.00 H ATOM 315 H SER A 22 27.041 -5.004 -4.324 1.00 0.00 H ATOM 316 N SER A 23 29.956 -8.084 -5.566 1.00 27.13 N ATOM 317 CA SER A 23 31.366 -8.442 -5.354 1.00 25.67 C ATOM 318 C SER A 23 32.275 -7.212 -5.439 1.00 24.97 C ATOM 319 O SER A 23 33.363 -7.205 -4.876 1.00 25.58 O ATOM 320 CB SER A 23 31.834 -9.531 -6.345 1.00 25.17 C ATOM 321 OG SER A 23 31.532 -9.214 -7.698 1.00 21.18 O ATOM 322 HA SER A 23 31.441 -8.851 -4.347 1.00 0.00 H ATOM 323 HB2 SER A 23 31.342 -10.469 -6.089 1.00 0.00 H ATOM 324 HB3 SER A 23 32.913 -9.650 -6.248 1.00 0.00 H ATOM 325 HG SER A 23 31.981 -8.367 -7.945 1.00 0.00 H ATOM 326 H SER A 23 29.437 -8.519 -6.355 1.00 0.00 H ATOM 327 N ASN A 24 31.803 -6.182 -6.135 1.00 24.99 N ATOM 328 CA ASN A 24 32.550 -4.944 -6.346 1.00 24.97 C ATOM 329 C ASN A 24 32.368 -3.955 -5.202 1.00 24.04 C ATOM 330 O ASN A 24 33.078 -2.952 -5.137 1.00 23.53 O ATOM 331 CB ASN A 24 32.098 -4.256 -7.651 1.00 25.32 C ATOM 332 CG ASN A 24 32.301 -5.107 -8.882 1.00 27.94 C ATOM 333 OD1 ASN A 24 33.380 -5.663 -9.104 1.00 29.43 O ATOM 334 ND2 ASN A 24 31.274 -5.176 -9.721 1.00 30.09 N ATOM 335 HA ASN A 24 33.601 -5.226 -6.403 1.00 0.00 H ATOM 336 HB2 ASN A 24 31.038 -4.018 -7.567 1.00 0.00 H ATOM 337 HB3 ASN A 24 32.667 -3.334 -7.771 1.00 0.00 H ATOM 338 HD22 ASN A 24 30.383 -4.691 -9.493 1.00 0.00 H ATOM 339 HD21 ASN A 24 31.361 -5.715 -10.606 1.00 0.00 H ATOM 340 H ASN A 24 30.853 -6.262 -6.551 1.00 0.00 H ATOM 341 N TYR A 25 31.399 -4.232 -4.330 1.00 22.92 N ATOM 342 CA TYR A 25 30.940 -3.265 -3.344 1.00 22.59 C ATOM 343 C TYR A 25 32.087 -2.655 -2.531 1.00 22.15 C ATOM 344 O TYR A 25 32.245 -1.430 -2.491 1.00 21.91 O ATOM 345 CB TYR A 25 29.893 -3.905 -2.425 1.00 22.68 C ATOM 346 CG TYR A 25 29.377 -2.986 -1.340 1.00 23.25 C ATOM 347 CD1 TYR A 25 28.332 -2.097 -1.594 1.00 23.45 C ATOM 348 CD2 TYR A 25 29.954 -2.984 -0.066 1.00 21.62 C ATOM 349 CE1 TYR A 25 27.840 -1.246 -0.589 1.00 24.91 C ATOM 350 CE2 TYR A 25 29.477 -2.149 0.925 1.00 22.05 C ATOM 351 CZ TYR A 25 28.423 -1.273 0.670 1.00 23.85 C ATOM 352 OH TYR A 25 27.961 -0.430 1.662 1.00 24.74 O ATOM 353 HA TYR A 25 30.481 -2.441 -3.889 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.342 -4.777 -1.950 1.00 0.00 H ATOM 355 HB2 TYR A 25 29.048 -4.221 -3.037 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.790 -3.650 0.147 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.929 -2.175 1.916 1.00 0.00 H ATOM 358 HE1 TYR A 25 27.009 -0.572 -0.797 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.889 -2.062 -2.589 1.00 0.00 H ATOM 360 HH TYR A 25 27.216 0.117 1.308 1.00 0.00 H ATOM 361 H TYR A 25 30.955 -5.172 -4.355 1.00 0.00 H ATOM 362 N CYS A 26 32.890 -3.499 -1.887 1.00 21.73 N ATOM 363 CA CYS A 26 33.943 -2.970 -1.014 1.00 21.45 C ATOM 364 C CYS A 26 34.985 -2.191 -1.794 1.00 20.95 C ATOM 365 O CYS A 26 35.397 -1.105 -1.368 1.00 21.45 O ATOM 366 CB CYS A 26 34.593 -4.060 -0.156 1.00 20.59 C ATOM 367 SG CYS A 26 33.488 -4.664 1.127 1.00 22.31 S ATOM 368 HA CYS A 26 33.454 -2.275 -0.331 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.487 -3.650 0.314 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.873 -4.894 -0.800 1.00 0.00 H ATOM 371 H CYS A 26 32.772 -4.526 -2.002 1.00 0.00 H ATOM 372 N ASN A 27 35.384 -2.718 -2.950 1.00 21.00 N ATOM 373 CA ASN A 27 36.319 -2.004 -3.794 1.00 22.10 C ATOM 374 C ASN A 27 35.864 -0.570 -4.055 1.00 23.00 C ATOM 375 O ASN A 27 36.657 0.363 -3.941 1.00 23.85 O ATOM 376 CB ASN A 27 36.525 -2.763 -5.105 1.00 21.67 C ATOM 377 CG ASN A 27 37.325 -4.026 -4.913 1.00 22.35 C ATOM 378 OD1 ASN A 27 38.011 -4.178 -3.904 1.00 22.18 O ATOM 379 ND2 ASN A 27 37.231 -4.947 -5.868 1.00 21.81 N ATOM 380 HA ASN A 27 37.272 -1.945 -3.269 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.550 -3.024 -5.517 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.053 -2.116 -5.806 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.637 -4.771 -6.703 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.752 -5.843 -5.779 1.00 0.00 H ATOM 385 H ASN A 27 35.022 -3.647 -3.248 1.00 0.00 H ATOM 386 N GLN A 28 34.582 -0.406 -4.376 1.00 23.34 N ATOM 387 CA GLN A 28 34.022 0.901 -4.711 1.00 24.19 C ATOM 388 C GLN A 28 33.836 1.769 -3.468 1.00 23.38 C ATOM 389 O GLN A 28 34.208 2.942 -3.451 1.00 23.52 O ATOM 390 CB GLN A 28 32.667 0.732 -5.411 1.00 23.95 C ATOM 391 CG GLN A 28 32.695 -0.009 -6.749 1.00 26.10 C ATOM 392 CD GLN A 28 31.304 -0.464 -7.165 1.00 26.54 C ATOM 393 OE1 GLN A 28 30.313 -0.123 -6.516 1.00 32.30 O ATOM 394 NE2 GLN A 28 31.221 -1.235 -8.239 1.00 30.50 N ATOM 395 HA GLN A 28 34.728 1.397 -5.378 1.00 0.00 H ATOM 396 HB2 GLN A 28 32.009 0.182 -4.738 1.00 0.00 H ATOM 397 HB3 GLN A 28 32.256 1.726 -5.588 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.094 0.657 -7.514 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.341 -0.882 -6.657 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.083 -1.499 -8.757 1.00 0.00 H ATOM 401 HE21 GLN A 28 30.294 -1.576 -8.564 1.00 0.00 H ATOM 402 H GLN A 28 33.958 -1.238 -4.389 1.00 0.00 H ATOM 403 N MET A 29 33.264 1.185 -2.423 1.00 22.93 N ATOM 404 CA MET A 29 32.925 1.961 -1.232 1.00 23.72 C ATOM 405 C MET A 29 34.120 2.371 -0.386 1.00 23.62 C ATOM 406 O MET A 29 34.151 3.476 0.172 1.00 24.58 O ATOM 407 CB MET A 29 31.936 1.177 -0.382 1.00 22.78 C ATOM 408 CG MET A 29 30.575 1.039 -1.031 1.00 26.64 C ATOM 409 SD MET A 29 29.678 2.606 -0.938 1.00 31.44 S ATOM 410 CE MET A 29 29.135 2.568 0.759 1.00 30.73 C ATOM 411 HA MET A 29 32.484 2.891 -1.591 1.00 0.00 H ATOM 412 HB2 MET A 29 32.341 0.180 -0.209 1.00 0.00 H ATOM 413 HB3 MET A 29 31.815 1.690 0.572 1.00 0.00 H ATOM 414 HG2 MET A 29 30.006 0.267 -0.514 1.00 0.00 H ATOM 415 HG3 MET A 29 30.701 0.757 -2.076 1.00 0.00 H ATOM 416 HE1 MET A 29 28.507 1.692 0.919 1.00 0.00 H ATOM 417 HE2 MET A 29 30.003 2.519 1.416 1.00 0.00 H ATOM 418 HE3 MET A 29 28.564 3.470 0.977 1.00 0.00 H ATOM 419 H MET A 29 33.055 0.167 -2.452 1.00 0.00 H ATOM 420 N MET A 30 35.106 1.488 -0.258 1.00 23.07 N ATOM 421 CA MET A 30 36.310 1.855 0.487 1.00 23.05 C ATOM 422 C MET A 30 36.965 3.086 -0.144 1.00 23.68 C ATOM 423 O MET A 30 37.403 3.998 0.560 1.00 24.05 O ATOM 424 CB MET A 30 37.299 0.683 0.576 1.00 23.12 C ATOM 425 CG MET A 30 36.779 -0.487 1.429 1.00 22.11 C ATOM 426 SD MET A 30 36.403 -0.050 3.148 1.00 22.41 S ATOM 427 CE MET A 30 38.065 0.120 3.786 1.00 22.85 C ATOM 428 HA MET A 30 36.016 2.103 1.507 1.00 0.00 H ATOM 429 HB2 MET A 30 37.494 0.317 -0.432 1.00 0.00 H ATOM 430 HB3 MET A 30 38.228 1.046 1.016 1.00 0.00 H ATOM 431 HG2 MET A 30 37.538 -1.270 1.434 1.00 0.00 H ATOM 432 HG3 MET A 30 35.869 -0.868 0.967 1.00 0.00 H ATOM 433 HE1 MET A 30 38.595 -0.826 3.672 1.00 0.00 H ATOM 434 HE2 MET A 30 38.588 0.900 3.232 1.00 0.00 H ATOM 435 HE3 MET A 30 38.022 0.389 4.841 1.00 0.00 H ATOM 436 H MET A 30 35.022 0.543 -0.685 1.00 0.00 H ATOM 437 N LYS A 31 37.021 3.104 -1.475 1.00 23.92 N ATOM 438 CA LYS A 31 37.559 4.261 -2.190 1.00 24.16 C ATOM 439 C LYS A 31 36.671 5.506 -2.030 1.00 24.62 C ATOM 440 O LYS A 31 37.159 6.577 -1.643 1.00 24.30 O ATOM 441 CB LYS A 31 37.778 3.930 -3.663 1.00 24.48 C ATOM 442 CG LYS A 31 38.464 5.059 -4.412 1.00 25.52 C ATOM 443 CD LYS A 31 39.004 4.587 -5.743 1.00 30.08 C ATOM 444 CE LYS A 31 39.918 5.633 -6.351 1.00 31.43 C ATOM 445 NZ LYS A 31 40.624 5.103 -7.546 1.00 34.74 N ATOM 446 HA LYS A 31 38.523 4.500 -1.742 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.397 3.036 -3.733 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.811 3.738 -4.127 1.00 0.00 H ATOM 449 HG2 LYS A 31 37.745 5.860 -4.584 1.00 0.00 H ATOM 450 HG3 LYS A 31 39.289 5.437 -3.808 1.00 0.00 H ATOM 451 HD2 LYS A 31 39.564 3.664 -5.595 1.00 0.00 H ATOM 452 HD3 LYS A 31 38.172 4.401 -6.422 1.00 0.00 H ATOM 453 HE2 LYS A 31 40.655 5.936 -5.608 1.00 0.00 H ATOM 454 HE3 LYS A 31 39.323 6.498 -6.644 1.00 0.00 H ATOM 455 HZ1 LYS A 31 41.198 4.280 -7.272 1.00 0.00 H ATOM 456 HZ2 LYS A 31 39.925 4.817 -8.261 1.00 0.00 H ATOM 457 HZ3 LYS A 31 41.241 5.842 -7.939 1.00 0.00 H ATOM 458 H LYS A 31 36.677 2.283 -2.013 1.00 0.00 H ATOM 459 N SER A 32 35.365 5.357 -2.277 1.00 24.13 N ATOM 460 CA SER A 32 34.491 6.533 -2.339 1.00 24.64 C ATOM 461 C SER A 32 34.273 7.188 -0.989 1.00 24.58 C ATOM 462 O SER A 32 34.037 8.392 -0.912 1.00 25.03 O ATOM 463 CB SER A 32 33.160 6.222 -3.010 1.00 24.68 C ATOM 464 OG SER A 32 32.392 5.301 -2.288 1.00 27.31 O ATOM 465 HA SER A 32 35.022 7.256 -2.958 1.00 0.00 H ATOM 466 HB2 SER A 32 33.356 5.812 -4.001 1.00 0.00 H ATOM 467 HB3 SER A 32 32.594 7.148 -3.107 1.00 0.00 H ATOM 468 HG SER A 32 32.893 4.452 -2.200 1.00 0.00 H ATOM 469 H SER A 32 34.969 4.407 -2.425 1.00 0.00 H ATOM 470 N ARG A 33 34.363 6.397 0.071 1.00 24.12 N ATOM 471 CA ARG A 33 34.265 6.951 1.422 1.00 23.94 C ATOM 472 C ARG A 33 35.612 7.457 1.963 1.00 24.39 C ATOM 473 O ARG A 33 35.753 7.764 3.161 1.00 24.99 O ATOM 474 CB ARG A 33 33.621 5.934 2.370 1.00 23.41 C ATOM 475 CG ARG A 33 32.192 5.567 1.984 1.00 22.44 C ATOM 476 CD ARG A 33 31.257 6.787 1.955 1.00 20.74 C ATOM 477 NE ARG A 33 29.874 6.378 1.702 1.00 23.65 N ATOM 478 CZ ARG A 33 29.031 5.955 2.645 1.00 23.33 C ATOM 479 NH1 ARG A 33 29.428 5.875 3.921 1.00 22.88 N ATOM 480 NH2 ARG A 33 27.787 5.610 2.317 1.00 22.73 N ATOM 481 HA ARG A 33 33.621 7.829 1.364 1.00 0.00 H ATOM 482 HB2 ARG A 33 34.225 5.026 2.365 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.610 6.356 3.375 1.00 0.00 H ATOM 484 HG2 ARG A 33 32.203 5.112 0.994 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.808 4.849 2.708 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.579 7.466 1.165 1.00 0.00 H ATOM 487 HD3 ARG A 33 31.308 7.299 2.916 1.00 0.00 H ATOM 488 HE ARG A 33 29.526 6.420 0.723 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.766 5.544 4.652 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.398 6.143 4.181 1.00 0.00 H ATOM 491 HH22 ARG A 33 27.128 5.280 3.051 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.474 5.671 1.327 1.00 0.00 H ATOM 493 H ARG A 33 34.504 5.375 -0.059 1.00 0.00 H ATOM 494 N ASN A 34 36.595 7.533 1.065 1.00 25.46 N ATOM 495 CA ASN A 34 37.919 8.056 1.379 1.00 26.88 C ATOM 496 C ASN A 34 38.684 7.252 2.419 1.00 26.83 C ATOM 497 O ASN A 34 39.447 7.808 3.212 1.00 27.94 O ATOM 498 CB ASN A 34 37.827 9.534 1.761 1.00 27.38 C ATOM 499 CG ASN A 34 37.318 10.392 0.609 1.00 29.40 C ATOM 500 OD1 ASN A 34 37.902 10.411 -0.479 1.00 32.73 O ATOM 501 ND2 ASN A 34 36.205 11.088 0.838 1.00 32.95 N ATOM 502 HA ASN A 34 38.509 7.956 0.468 1.00 0.00 H ATOM 503 HB2 ASN A 34 37.145 9.638 2.605 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.817 9.885 2.050 1.00 0.00 H ATOM 505 HD22 ASN A 34 35.746 11.043 1.770 1.00 0.00 H ATOM 506 HD21 ASN A 34 35.795 11.677 0.085 1.00 0.00 H ATOM 507 H ASN A 34 36.408 7.204 0.096 1.00 0.00 H ATOM 508 N LEU A 35 38.501 5.932 2.390 1.00 26.42 N ATOM 509 CA LEU A 35 39.210 5.035 3.304 1.00 26.74 C ATOM 510 C LEU A 35 40.427 4.395 2.638 1.00 27.28 C ATOM 511 O LEU A 35 41.055 3.505 3.213 1.00 27.77 O ATOM 512 CB LEU A 35 38.270 3.954 3.846 1.00 26.02 C ATOM 513 CG LEU A 35 36.928 4.470 4.377 1.00 26.79 C ATOM 514 CD1 LEU A 35 36.161 3.321 4.948 1.00 26.57 C ATOM 515 CD2 LEU A 35 37.151 5.556 5.423 1.00 29.35 C ATOM 516 HA LEU A 35 39.566 5.639 4.138 1.00 0.00 H ATOM 517 HB2 LEU A 35 38.067 3.248 3.041 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.780 3.439 4.660 1.00 0.00 H ATOM 519 HG LEU A 35 36.354 4.913 3.563 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.727 5.147 6.253 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.697 6.385 4.973 1.00 0.00 H ATOM 522 HD23 LEU A 35 36.187 5.910 5.788 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.989 2.578 4.169 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.732 2.872 5.761 1.00 0.00 H ATOM 525 HD13 LEU A 35 35.204 3.678 5.329 1.00 0.00 H ATOM 526 H LEU A 35 37.836 5.528 1.699 1.00 0.00 H ATOM 527 N THR A 36 40.745 4.844 1.428 1.00 27.85 N ATOM 528 CA THR A 36 41.918 4.348 0.704 1.00 28.56 C ATOM 529 C THR A 36 42.819 5.480 0.214 1.00 29.52 C ATOM 530 O THR A 36 43.717 5.249 -0.597 1.00 29.47 O ATOM 531 CB THR A 36 41.535 3.480 -0.516 1.00 28.55 C ATOM 532 OG1 THR A 36 40.878 4.286 -1.497 1.00 28.80 O ATOM 533 CG2 THR A 36 40.635 2.313 -0.128 1.00 29.35 C ATOM 534 HA THR A 36 42.458 3.738 1.429 1.00 0.00 H ATOM 535 HB THR A 36 42.456 3.067 -0.927 1.00 0.00 H ATOM 536 HG1 THR A 36 40.059 4.679 -1.104 1.00 0.00 H ATOM 537 HG23 THR A 36 41.139 1.700 0.620 1.00 0.00 H ATOM 538 HG21 THR A 36 39.702 2.697 0.284 1.00 0.00 H ATOM 539 HG22 THR A 36 40.423 1.710 -1.011 1.00 0.00 H ATOM 540 H THR A 36 40.145 5.567 0.983 1.00 0.00 H ATOM 541 N LYS A 37 42.586 6.693 0.706 1.00 30.41 N ATOM 542 CA LYS A 37 43.317 7.868 0.226 1.00 31.67 C ATOM 543 C LYS A 37 44.769 7.879 0.724 1.00 31.62 C ATOM 544 O LYS A 37 45.698 8.125 -0.061 1.00 31.86 O ATOM 545 CB LYS A 37 42.575 9.150 0.629 1.00 31.42 C ATOM 546 CG LYS A 37 43.159 10.442 0.058 1.00 32.74 C ATOM 547 CD LYS A 37 42.355 11.635 0.539 1.00 32.91 C ATOM 548 CE LYS A 37 43.241 12.841 0.778 1.00 35.45 C ATOM 549 NZ LYS A 37 42.618 13.724 1.804 1.00 36.82 N ATOM 550 HA LYS A 37 43.360 7.820 -0.862 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.543 9.065 0.288 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.592 9.223 1.716 1.00 0.00 H ATOM 553 HG2 LYS A 37 44.193 10.547 0.387 1.00 0.00 H ATOM 554 HG3 LYS A 37 43.128 10.402 -1.031 1.00 0.00 H ATOM 555 HD2 LYS A 37 41.609 11.887 -0.215 1.00 0.00 H ATOM 556 HD3 LYS A 37 41.854 11.373 1.471 1.00 0.00 H ATOM 557 HE2 LYS A 37 43.360 13.395 -0.153 1.00 0.00 H ATOM 558 HE3 LYS A 37 44.218 12.510 1.129 1.00 0.00 H ATOM 559 HZ1 LYS A 37 41.686 14.040 1.468 1.00 0.00 H ATOM 560 HZ2 LYS A 37 42.506 13.195 2.693 1.00 0.00 H ATOM 561 HZ3 LYS A 37 43.229 14.550 1.965 1.00 0.00 H ATOM 562 H LYS A 37 41.868 6.810 1.449 1.00 0.00 H ATOM 563 N ASP A 38 44.957 7.593 2.013 1.00 31.89 N ATOM 564 CA ASP A 38 46.275 7.656 2.652 1.00 32.67 C ATOM 565 C ASP A 38 47.004 6.304 2.646 1.00 32.15 C ATOM 566 O ASP A 38 48.226 6.243 2.447 1.00 31.89 O ATOM 567 CB ASP A 38 46.137 8.175 4.092 1.00 33.27 C ATOM 568 CG ASP A 38 45.829 9.675 4.162 1.00 34.99 C ATOM 569 OD1 ASP A 38 46.097 10.410 3.189 1.00 36.90 O ATOM 570 OD2 ASP A 38 45.318 10.125 5.214 1.00 38.35 O ATOM 571 HA ASP A 38 46.881 8.346 2.066 1.00 0.00 H ATOM 572 HB2 ASP A 38 45.329 7.631 4.581 1.00 0.00 H ATOM 573 HB3 ASP A 38 47.072 7.987 4.620 1.00 0.00 H ATOM 574 H ASP A 38 44.136 7.314 2.588 1.00 0.00 H ATOM 575 N ARG A 39 46.234 5.245 2.892 1.00 31.66 N ATOM 576 CA ARG A 39 46.659 3.843 2.813 1.00 30.90 C ATOM 577 C ARG A 39 45.401 3.049 2.475 1.00 30.56 C ATOM 578 O ARG A 39 44.332 3.638 2.376 1.00 30.12 O ATOM 579 CB ARG A 39 47.236 3.347 4.144 1.00 31.53 C ATOM 580 CG ARG A 39 46.383 3.626 5.373 1.00 32.79 C ATOM 581 CD ARG A 39 46.578 2.574 6.457 1.00 35.35 C ATOM 582 NE ARG A 39 45.597 2.717 7.532 1.00 37.48 N ATOM 583 CZ ARG A 39 45.436 1.860 8.541 1.00 37.50 C ATOM 584 NH1 ARG A 39 44.509 2.087 9.464 1.00 38.08 N ATOM 585 NH2 ARG A 39 46.200 0.778 8.635 1.00 38.54 N ATOM 586 HA ARG A 39 47.445 3.724 2.067 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.375 2.268 4.069 1.00 0.00 H ATOM 588 HB3 ARG A 39 48.204 3.827 4.290 1.00 0.00 H ATOM 589 HG2 ARG A 39 46.656 4.601 5.776 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.334 3.637 5.078 1.00 0.00 H ATOM 591 HD2 ARG A 39 47.579 2.679 6.876 1.00 0.00 H ATOM 592 HD3 ARG A 39 46.473 1.584 6.012 1.00 0.00 H ATOM 593 HE ARG A 39 44.977 3.552 7.508 1.00 0.00 H ATOM 594 HH12 ARG A 39 44.384 1.418 10.251 1.00 0.00 H ATOM 595 HH11 ARG A 39 43.908 2.933 9.400 1.00 0.00 H ATOM 596 HH22 ARG A 39 46.068 0.115 9.425 1.00 0.00 H ATOM 597 HH21 ARG A 39 46.931 0.594 7.918 1.00 0.00 H ATOM 598 H ARG A 39 45.247 5.428 3.163 1.00 0.00 H ATOM 599 N CYS A 40 45.520 1.736 2.296 1.00 29.27 N ATOM 600 CA CYS A 40 44.324 0.891 2.239 1.00 28.42 C ATOM 601 C CYS A 40 43.929 0.588 3.662 1.00 28.34 C ATOM 602 O CYS A 40 44.656 -0.143 4.340 1.00 27.80 O ATOM 603 CB CYS A 40 44.619 -0.446 1.572 1.00 28.88 C ATOM 604 SG CYS A 40 45.327 -0.358 -0.063 1.00 27.21 S ATOM 605 HA CYS A 40 43.550 1.411 1.675 1.00 0.00 H ATOM 606 HB2 CYS A 40 43.682 -0.999 1.502 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.315 -0.992 2.209 1.00 0.00 H ATOM 608 H CYS A 40 46.463 1.309 2.196 1.00 0.00 H ATOM 609 N LYS A 41 42.792 1.119 4.127 1.00 28.35 N ATOM 610 CA LYS A 41 42.293 0.733 5.451 1.00 29.02 C ATOM 611 C LYS A 41 42.086 -0.781 5.394 1.00 28.88 C ATOM 612 O LYS A 41 41.412 -1.274 4.492 1.00 28.72 O ATOM 613 CB LYS A 41 41.001 1.466 5.808 1.00 29.60 C ATOM 614 CG LYS A 41 40.572 1.276 7.257 1.00 30.48 C ATOM 615 CD LYS A 41 39.315 2.066 7.601 1.00 30.08 C ATOM 616 CE LYS A 41 38.892 1.794 9.058 1.00 34.07 C ATOM 617 NZ LYS A 41 37.593 2.431 9.466 1.00 35.30 N ATOM 618 HA LYS A 41 43.002 1.006 6.232 1.00 0.00 H ATOM 619 HB2 LYS A 41 41.148 2.531 5.629 1.00 0.00 H ATOM 620 HB3 LYS A 41 40.205 1.097 5.161 1.00 0.00 H ATOM 621 HG2 LYS A 41 40.378 0.217 7.429 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.382 1.606 7.908 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.514 3.130 7.477 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.509 1.768 6.931 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.676 2.171 9.715 1.00 0.00 H ATOM 626 HE3 LYS A 41 38.797 0.716 9.188 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.667 3.463 9.362 1.00 0.00 H ATOM 628 HZ2 LYS A 41 36.828 2.074 8.859 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.389 2.195 10.458 1.00 0.00 H ATOM 630 H LYS A 41 42.263 1.804 3.550 1.00 0.00 H ATOM 631 N PRO A 42 42.724 -1.525 6.306 1.00 28.61 N ATOM 632 CA PRO A 42 42.750 -2.987 6.285 1.00 28.81 C ATOM 633 C PRO A 42 41.384 -3.679 6.357 1.00 28.72 C ATOM 634 O PRO A 42 41.127 -4.620 5.596 1.00 29.22 O ATOM 635 CB PRO A 42 43.598 -3.328 7.518 1.00 29.39 C ATOM 636 CG PRO A 42 44.469 -2.142 7.685 1.00 29.90 C ATOM 637 CD PRO A 42 43.562 -0.993 7.396 1.00 28.78 C ATOM 638 HA PRO A 42 43.142 -3.346 5.333 1.00 0.00 H ATOM 639 HD3 PRO A 42 42.960 -0.735 8.268 1.00 0.00 H ATOM 640 HD2 PRO A 42 44.124 -0.117 7.072 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.301 -2.168 6.981 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.857 -2.085 8.702 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.968 -3.474 8.395 1.00 0.00 H ATOM 644 HB3 PRO A 42 44.192 -4.225 7.345 1.00 0.00 H ATOM 645 N VAL A 43 40.538 -3.230 7.275 1.00 27.58 N ATOM 646 CA VAL A 43 39.197 -3.800 7.450 1.00 26.94 C ATOM 647 C VAL A 43 38.213 -2.693 7.763 1.00 26.24 C ATOM 648 O VAL A 43 38.574 -1.700 8.396 1.00 27.08 O ATOM 649 CB VAL A 43 39.107 -4.851 8.601 1.00 27.78 C ATOM 650 CG1 VAL A 43 40.015 -6.040 8.340 1.00 27.88 C ATOM 651 CG2 VAL A 43 39.394 -4.237 9.961 1.00 28.56 C ATOM 652 HA VAL A 43 38.963 -4.307 6.514 1.00 0.00 H ATOM 653 HB VAL A 43 38.078 -5.210 8.618 1.00 0.00 H ATOM 654 HG11 VAL A 43 39.721 -6.522 7.408 1.00 0.00 H ATOM 655 HG12 VAL A 43 41.047 -5.698 8.264 1.00 0.00 H ATOM 656 HG13 VAL A 43 39.926 -6.751 9.162 1.00 0.00 H ATOM 657 HG21 VAL A 43 40.399 -3.816 9.963 1.00 0.00 H ATOM 658 HG22 VAL A 43 38.668 -3.449 10.163 1.00 0.00 H ATOM 659 HG23 VAL A 43 39.319 -5.007 10.729 1.00 0.00 H ATOM 660 H VAL A 43 40.835 -2.447 7.892 1.00 0.00 H ATOM 661 N ASN A 44 36.958 -2.872 7.355 1.00 24.83 N ATOM 662 CA ASN A 44 35.921 -1.868 7.644 1.00 24.26 C ATOM 663 C ASN A 44 34.540 -2.453 7.446 1.00 23.18 C ATOM 664 O ASN A 44 34.356 -3.264 6.551 1.00 24.50 O ATOM 665 CB ASN A 44 36.060 -0.666 6.711 1.00 24.75 C ATOM 666 CG ASN A 44 35.181 0.485 7.118 1.00 25.12 C ATOM 667 OD1 ASN A 44 35.408 1.119 8.166 1.00 28.10 O ATOM 668 ND2 ASN A 44 34.177 0.794 6.285 1.00 23.53 N ATOM 669 HA ASN A 44 36.051 -1.556 8.680 1.00 0.00 H ATOM 670 HB2 ASN A 44 37.098 -0.334 6.721 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.788 -0.974 5.701 1.00 0.00 H ATOM 672 HD22 ASN A 44 34.027 0.235 5.421 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.548 1.593 6.503 1.00 0.00 H ATOM 674 H ASN A 44 36.708 -3.732 6.826 1.00 0.00 H ATOM 675 N THR A 45 33.577 -2.038 8.265 1.00 22.52 N ATOM 676 CA THR A 45 32.209 -2.527 8.163 1.00 22.70 C ATOM 677 C THR A 45 31.242 -1.393 7.827 1.00 22.20 C ATOM 678 O THR A 45 31.309 -0.317 8.419 1.00 22.55 O ATOM 679 CB THR A 45 31.777 -3.202 9.489 1.00 22.86 C ATOM 680 OG1 THR A 45 32.705 -4.260 9.770 1.00 25.73 O ATOM 681 CG2 THR A 45 30.356 -3.748 9.402 1.00 25.53 C ATOM 682 HA THR A 45 32.178 -3.260 7.357 1.00 0.00 H ATOM 683 HB THR A 45 31.784 -2.464 10.291 1.00 0.00 H ATOM 684 HG1 THR A 45 32.689 -4.917 9.030 1.00 0.00 H ATOM 685 HG23 THR A 45 29.667 -2.931 9.188 1.00 0.00 H ATOM 686 HG21 THR A 45 30.301 -4.489 8.605 1.00 0.00 H ATOM 687 HG22 THR A 45 30.088 -4.213 10.351 1.00 0.00 H ATOM 688 H THR A 45 33.809 -1.342 9.002 1.00 0.00 H ATOM 689 N PHE A 46 30.323 -1.688 6.900 1.00 21.53 N ATOM 690 CA PHE A 46 29.230 -0.792 6.530 1.00 21.94 C ATOM 691 C PHE A 46 27.927 -1.379 7.024 1.00 22.32 C ATOM 692 O PHE A 46 27.710 -2.583 6.928 1.00 22.67 O ATOM 693 CB PHE A 46 29.165 -0.592 5.014 1.00 22.38 C ATOM 694 CG PHE A 46 30.328 0.189 4.465 1.00 22.07 C ATOM 695 CD1 PHE A 46 30.368 1.578 4.584 1.00 21.82 C ATOM 696 CD2 PHE A 46 31.399 -0.465 3.851 1.00 21.38 C ATOM 697 CE1 PHE A 46 31.467 2.319 4.075 1.00 23.08 C ATOM 698 CE2 PHE A 46 32.496 0.266 3.343 1.00 21.63 C ATOM 699 CZ PHE A 46 32.525 1.654 3.458 1.00 23.11 C ATOM 700 HA PHE A 46 29.404 0.181 6.989 1.00 0.00 H ATOM 701 HB2 PHE A 46 29.150 -1.572 4.536 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.246 -0.058 4.775 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.388 -1.551 3.763 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.321 -0.257 2.860 1.00 0.00 H ATOM 705 HZ PHE A 46 33.372 2.218 3.067 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.483 3.405 4.167 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.546 2.101 5.073 1.00 0.00 H ATOM 708 H PHE A 46 30.391 -2.606 6.416 1.00 0.00 H ATOM 709 N VAL A 47 27.066 -0.518 7.572 1.00 22.75 N ATOM 710 CA VAL A 47 25.764 -0.937 8.123 1.00 23.57 C ATOM 711 C VAL A 47 24.639 -0.448 7.220 1.00 23.48 C ATOM 712 O VAL A 47 24.560 0.745 6.933 1.00 23.47 O ATOM 713 CB VAL A 47 25.578 -0.398 9.545 1.00 23.13 C ATOM 714 CG1 VAL A 47 24.254 -0.858 10.154 1.00 24.17 C ATOM 715 CG2 VAL A 47 26.749 -0.847 10.423 1.00 23.71 C ATOM 716 HA VAL A 47 25.738 -2.026 8.167 1.00 0.00 H ATOM 717 HB VAL A 47 25.555 0.691 9.495 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.429 -0.499 9.539 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.233 -1.947 10.193 1.00 0.00 H ATOM 720 HG13 VAL A 47 24.160 -0.455 11.162 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.784 -1.936 10.450 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.681 -0.462 10.009 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.613 -0.461 11.433 1.00 0.00 H ATOM 724 H VAL A 47 27.324 0.489 7.612 1.00 0.00 H ATOM 725 N HIS A 48 23.786 -1.384 6.793 1.00 23.41 N ATOM 726 CA HIS A 48 22.662 -1.111 5.892 1.00 23.58 C ATOM 727 C HIS A 48 21.380 -1.065 6.709 1.00 23.65 C ATOM 728 O HIS A 48 20.491 -1.915 6.568 1.00 24.74 O ATOM 729 CB HIS A 48 22.559 -2.203 4.842 1.00 23.40 C ATOM 730 CG HIS A 48 23.857 -2.498 4.169 1.00 24.54 C ATOM 731 ND1 HIS A 48 24.501 -1.581 3.371 1.00 28.46 N ATOM 732 CD2 HIS A 48 24.645 -3.598 4.199 1.00 24.36 C ATOM 733 CE1 HIS A 48 25.631 -2.111 2.928 1.00 28.67 C ATOM 734 NE2 HIS A 48 25.728 -3.342 3.397 1.00 25.75 N ATOM 735 HA HIS A 48 22.819 -0.156 5.390 1.00 0.00 H ATOM 736 HB2 HIS A 48 22.204 -3.114 5.323 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.840 -1.889 4.085 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.455 -4.515 4.756 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.358 -1.615 2.285 1.00 0.00 H ATOM 740 H HIS A 48 23.928 -2.362 7.118 1.00 0.00 H ATOM 741 N GLU A 49 21.307 -0.066 7.574 1.00 23.68 N ATOM 742 CA GLU A 49 20.106 0.205 8.343 1.00 23.56 C ATOM 743 C GLU A 49 19.966 1.707 8.394 1.00 24.03 C ATOM 744 O GLU A 49 20.900 2.426 8.035 1.00 25.03 O ATOM 745 CB GLU A 49 20.232 -0.356 9.768 1.00 24.28 C ATOM 746 CG GLU A 49 20.431 -1.876 9.854 1.00 24.71 C ATOM 747 CD GLU A 49 19.255 -2.705 9.371 1.00 25.13 C ATOM 748 OE1 GLU A 49 18.124 -2.171 9.232 1.00 26.36 O ATOM 749 OE2 GLU A 49 19.459 -3.912 9.125 1.00 24.59 O ATOM 750 HA GLU A 49 19.237 -0.267 7.884 1.00 0.00 H ATOM 751 HB2 GLU A 49 21.086 0.124 10.246 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.322 -0.103 10.313 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.300 -2.138 9.251 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.622 -2.134 10.896 1.00 0.00 H ATOM 755 H GLU A 49 22.138 0.545 7.707 1.00 0.00 H ATOM 756 N SER A 50 18.807 2.187 8.825 1.00 23.06 N ATOM 757 CA SER A 50 18.593 3.626 8.905 1.00 23.97 C ATOM 758 C SER A 50 19.521 4.243 9.937 1.00 24.03 C ATOM 759 O SER A 50 19.987 3.564 10.872 1.00 24.44 O ATOM 760 CB SER A 50 17.157 3.937 9.269 1.00 23.01 C ATOM 761 OG SER A 50 16.901 3.574 10.611 1.00 24.39 O ATOM 762 HA SER A 50 18.809 4.052 7.925 1.00 0.00 H ATOM 763 HB2 SER A 50 16.490 3.379 8.612 1.00 0.00 H ATOM 764 HB3 SER A 50 16.977 5.005 9.145 1.00 0.00 H ATOM 765 HG SER A 50 15.959 3.783 10.834 1.00 0.00 H ATOM 766 H SER A 50 18.048 1.534 9.107 1.00 0.00 H ATOM 767 N LEU A 51 19.814 5.529 9.767 1.00 24.99 N ATOM 768 CA LEU A 51 20.640 6.245 10.749 1.00 24.65 C ATOM 769 C LEU A 51 19.968 6.208 12.113 1.00 24.96 C ATOM 770 O LEU A 51 20.627 6.000 13.119 1.00 24.64 O ATOM 771 CB LEU A 51 20.910 7.705 10.326 1.00 25.32 C ATOM 772 CG LEU A 51 21.873 8.483 11.253 1.00 25.13 C ATOM 773 CD1 LEU A 51 23.251 7.832 11.431 1.00 24.96 C ATOM 774 CD2 LEU A 51 22.040 9.897 10.777 1.00 25.07 C ATOM 775 HA LEU A 51 21.604 5.740 10.802 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.339 7.694 9.324 1.00 0.00 H ATOM 777 HB3 LEU A 51 19.957 8.234 10.306 1.00 0.00 H ATOM 778 HG LEU A 51 21.399 8.465 12.234 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.449 9.893 9.767 1.00 0.00 H ATOM 780 HD22 LEU A 51 21.071 10.396 10.776 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.721 10.425 11.444 1.00 0.00 H ATOM 782 HD11 LEU A 51 23.129 6.838 11.862 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.741 7.751 10.461 1.00 0.00 H ATOM 784 HD13 LEU A 51 23.858 8.446 12.096 1.00 0.00 H ATOM 785 H LEU A 51 19.455 6.033 8.931 1.00 0.00 H ATOM 786 N ALA A 52 18.652 6.415 12.139 1.00 25.28 N ATOM 787 CA ALA A 52 17.901 6.357 13.387 1.00 24.39 C ATOM 788 C ALA A 52 18.115 5.018 14.104 1.00 24.39 C ATOM 789 O ALA A 52 18.370 4.994 15.318 1.00 25.39 O ATOM 790 CB ALA A 52 16.403 6.633 13.146 1.00 25.45 C ATOM 791 HA ALA A 52 18.281 7.142 14.041 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.283 7.626 12.712 1.00 0.00 H ATOM 793 HB2 ALA A 52 16.002 5.885 12.462 1.00 0.00 H ATOM 794 HB3 ALA A 52 15.868 6.583 14.095 1.00 0.00 H ATOM 795 H ALA A 52 18.151 6.622 11.252 1.00 0.00 H ATOM 796 N ASP A 53 18.031 3.917 13.357 1.00 24.10 N ATOM 797 CA ASP A 53 18.204 2.588 13.972 1.00 24.31 C ATOM 798 C ASP A 53 19.611 2.384 14.530 1.00 24.40 C ATOM 799 O ASP A 53 19.772 1.800 15.602 1.00 24.02 O ATOM 800 CB ASP A 53 17.868 1.452 13.006 1.00 23.83 C ATOM 801 CG ASP A 53 16.371 1.243 12.826 1.00 25.04 C ATOM 802 OD1 ASP A 53 15.546 1.861 13.546 1.00 28.22 O ATOM 803 OD2 ASP A 53 16.006 0.449 11.936 1.00 29.43 O ATOM 804 HA ASP A 53 17.496 2.558 14.800 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.306 1.682 12.034 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.303 0.530 13.390 1.00 0.00 H ATOM 807 H ASP A 53 17.843 3.996 12.337 1.00 0.00 H ATOM 808 N VAL A 54 20.628 2.872 13.829 1.00 23.70 N ATOM 809 CA VAL A 54 22.010 2.754 14.324 1.00 22.91 C ATOM 810 C VAL A 54 22.262 3.694 15.518 1.00 22.87 C ATOM 811 O VAL A 54 22.833 3.278 16.538 1.00 22.62 O ATOM 812 CB VAL A 54 23.031 2.929 13.158 1.00 22.70 C ATOM 813 CG1 VAL A 54 24.459 2.868 13.685 1.00 24.33 C ATOM 814 CG2 VAL A 54 22.789 1.840 12.130 1.00 23.76 C ATOM 815 HA VAL A 54 22.161 1.746 14.711 1.00 0.00 H ATOM 816 HB VAL A 54 22.893 3.905 12.692 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.611 3.666 14.412 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.628 1.903 14.162 1.00 0.00 H ATOM 819 HG13 VAL A 54 25.156 2.992 12.856 1.00 0.00 H ATOM 820 HG21 VAL A 54 22.924 0.865 12.597 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.772 1.923 11.747 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.498 1.953 11.310 1.00 0.00 H ATOM 823 H VAL A 54 20.446 3.343 12.920 1.00 0.00 H ATOM 824 N GLN A 55 21.770 4.927 15.440 1.00 24.32 N ATOM 825 CA GLN A 55 21.879 5.837 16.574 1.00 23.87 C ATOM 826 C GLN A 55 21.204 5.266 17.825 1.00 24.16 C ATOM 827 O GLN A 55 21.711 5.435 18.937 1.00 25.70 O ATOM 828 CB GLN A 55 21.315 7.208 16.220 1.00 24.16 C ATOM 829 CG GLN A 55 22.159 7.917 15.179 1.00 23.51 C ATOM 830 CD GLN A 55 21.550 9.240 14.745 1.00 26.29 C ATOM 831 OE1 GLN A 55 22.276 10.169 14.381 1.00 28.61 O ATOM 832 NE2 GLN A 55 20.218 9.317 14.745 1.00 23.55 N ATOM 833 HA GLN A 55 22.938 5.953 16.805 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.305 7.083 15.829 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.282 7.819 17.122 1.00 0.00 H ATOM 836 HG2 GLN A 55 23.147 8.107 15.598 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.254 7.272 14.306 1.00 0.00 H ATOM 838 HE22 GLN A 55 19.650 8.505 15.062 1.00 0.00 H ATOM 839 HE21 GLN A 55 19.748 10.189 14.428 1.00 0.00 H ATOM 840 H GLN A 55 21.305 5.244 14.565 1.00 0.00 H ATOM 841 N ALA A 56 20.107 4.549 17.617 1.00 24.14 N ATOM 842 CA ALA A 56 19.332 3.971 18.741 1.00 23.67 C ATOM 843 C ALA A 56 20.155 2.937 19.520 1.00 23.31 C ATOM 844 O ALA A 56 19.887 2.683 20.697 1.00 24.21 O ATOM 845 CB ALA A 56 18.048 3.341 18.248 1.00 23.95 C ATOM 846 HA ALA A 56 19.086 4.791 19.415 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.438 4.099 17.756 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.283 2.546 17.540 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.500 2.925 19.094 1.00 0.00 H ATOM 850 H ALA A 56 19.783 4.389 16.642 1.00 0.00 H ATOM 851 N VAL A 57 21.161 2.351 18.872 1.00 22.71 N ATOM 852 CA VAL A 57 22.008 1.338 19.527 1.00 22.25 C ATOM 853 C VAL A 57 22.717 1.923 20.758 1.00 22.85 C ATOM 854 O VAL A 57 23.012 1.197 21.704 1.00 23.07 O ATOM 855 CB VAL A 57 23.001 0.690 18.520 1.00 22.80 C ATOM 856 CG1 VAL A 57 23.920 -0.325 19.251 1.00 22.23 C ATOM 857 CG2 VAL A 57 22.211 -0.027 17.431 1.00 23.56 C ATOM 858 HA VAL A 57 21.362 0.536 19.884 1.00 0.00 H ATOM 859 HB VAL A 57 23.622 1.468 18.076 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.485 0.192 20.027 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.309 -1.106 19.703 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.610 -0.771 18.534 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.590 -0.800 17.884 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.577 0.691 16.911 1.00 0.00 H ATOM 865 HG23 VAL A 57 22.903 -0.483 16.723 1.00 0.00 H ATOM 866 H VAL A 57 21.352 2.614 17.884 1.00 0.00 H ATOM 867 N CYS A 58 22.941 3.233 20.768 1.00 22.86 N ATOM 868 CA CYS A 58 23.629 3.880 21.900 1.00 24.16 C ATOM 869 C CYS A 58 22.818 3.823 23.202 1.00 23.55 C ATOM 870 O CYS A 58 23.351 4.155 24.262 1.00 24.52 O ATOM 871 CB CYS A 58 23.938 5.347 21.591 1.00 24.42 C ATOM 872 SG CYS A 58 25.133 5.571 20.256 1.00 26.62 S ATOM 873 HA CYS A 58 24.552 3.318 22.041 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.337 5.812 22.492 1.00 0.00 H ATOM 875 HB3 CYS A 58 23.009 5.843 21.309 1.00 0.00 H ATOM 876 H CYS A 58 22.626 3.812 19.963 1.00 0.00 H ATOM 877 N SER A 59 21.556 3.390 23.114 1.00 23.85 N ATOM 878 CA SER A 59 20.710 3.195 24.305 1.00 24.13 C ATOM 879 C SER A 59 20.258 1.735 24.448 1.00 24.09 C ATOM 880 O SER A 59 19.312 1.421 25.197 1.00 24.16 O ATOM 881 CB SER A 59 19.523 4.170 24.277 1.00 24.69 C ATOM 882 OG SER A 59 18.911 4.164 23.016 1.00 30.78 O ATOM 883 HA SER A 59 21.305 3.417 25.190 1.00 0.00 H ATOM 884 HB2 SER A 59 19.880 5.176 24.498 1.00 0.00 H ATOM 885 HB3 SER A 59 18.795 3.870 25.031 1.00 0.00 H ATOM 886 HG SER A 59 18.583 3.252 22.814 1.00 0.00 H ATOM 887 H SER A 59 21.159 3.184 22.175 1.00 0.00 H ATOM 888 N GLN A 60 20.976 0.834 23.771 1.00 23.14 N ATOM 889 CA GLN A 60 20.696 -0.602 23.844 1.00 23.54 C ATOM 890 C GLN A 60 21.647 -1.325 24.818 1.00 23.73 C ATOM 891 O GLN A 60 21.896 -0.797 25.905 1.00 25.22 O ATOM 892 CB GLN A 60 20.547 -1.204 22.438 1.00 23.35 C ATOM 893 CG GLN A 60 19.397 -0.497 21.702 1.00 23.16 C ATOM 894 CD GLN A 60 19.125 -0.989 20.277 1.00 24.06 C ATOM 895 OE1 GLN A 60 19.700 -1.968 19.801 1.00 23.71 O ATOM 896 NE2 GLN A 60 18.260 -0.278 19.588 1.00 24.64 N ATOM 897 HA GLN A 60 19.720 -0.766 24.301 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.475 -1.066 21.882 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.328 -2.269 22.519 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.487 -0.638 22.286 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.633 0.566 21.651 1.00 0.00 H ATOM 902 HE22 GLN A 60 17.795 0.543 20.026 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.041 -0.536 18.605 1.00 0.00 H ATOM 904 H GLN A 60 21.760 1.163 23.172 1.00 0.00 H ATOM 905 N LYS A 61 22.129 -2.514 24.482 1.00 23.73 N ATOM 906 CA LYS A 61 22.818 -3.332 25.501 1.00 23.58 C ATOM 907 C LYS A 61 24.233 -2.866 25.760 1.00 23.87 C ATOM 908 O LYS A 61 25.073 -2.987 24.904 1.00 23.78 O ATOM 909 CB LYS A 61 22.820 -4.805 25.095 1.00 23.08 C ATOM 910 CG LYS A 61 23.422 -5.703 26.154 1.00 23.70 C ATOM 911 CD LYS A 61 23.610 -7.124 25.671 1.00 30.42 C ATOM 912 CE LYS A 61 24.060 -8.039 26.808 1.00 34.64 C ATOM 913 NZ LYS A 61 24.752 -7.318 27.927 1.00 38.48 N ATOM 914 HA LYS A 61 22.261 -3.211 26.430 1.00 0.00 H ATOM 915 HB2 LYS A 61 21.792 -5.119 24.915 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.397 -4.913 24.177 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.393 -5.301 26.443 1.00 0.00 H ATOM 918 HG3 LYS A 61 22.761 -5.713 27.021 1.00 0.00 H ATOM 919 HD2 LYS A 61 22.665 -7.492 25.271 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.365 -7.136 24.885 1.00 0.00 H ATOM 921 HE2 LYS A 61 24.746 -8.782 26.401 1.00 0.00 H ATOM 922 HE3 LYS A 61 23.182 -8.541 27.213 1.00 0.00 H ATOM 923 HZ1 LYS A 61 25.600 -6.842 27.559 1.00 0.00 H ATOM 924 HZ2 LYS A 61 24.106 -6.612 28.335 1.00 0.00 H ATOM 925 HZ3 LYS A 61 25.028 -8.002 28.660 1.00 0.00 H ATOM 926 H LYS A 61 22.023 -2.867 23.510 1.00 0.00 H ATOM 927 N ASN A 62 24.508 -2.347 26.947 1.00 22.92 N ATOM 928 CA ASN A 62 25.852 -1.883 27.294 1.00 22.80 C ATOM 929 C ASN A 62 26.774 -3.096 27.457 1.00 23.13 C ATOM 930 O ASN A 62 26.495 -4.013 28.238 1.00 24.88 O ATOM 931 CB ASN A 62 25.777 -1.045 28.591 1.00 23.56 C ATOM 932 CG ASN A 62 27.064 -0.266 28.920 1.00 25.98 C ATOM 933 OD1 ASN A 62 27.306 0.037 30.099 1.00 28.68 O ATOM 934 ND2 ASN A 62 27.866 0.081 27.919 1.00 26.16 N ATOM 935 HA ASN A 62 26.259 -1.251 26.504 1.00 0.00 H ATOM 936 HB2 ASN A 62 24.962 -0.329 28.488 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.564 -1.719 29.421 1.00 0.00 H ATOM 938 HD22 ASN A 62 27.629 -0.192 26.944 1.00 0.00 H ATOM 939 HD21 ASN A 62 28.731 0.626 28.111 1.00 0.00 H ATOM 940 H ASN A 62 23.748 -2.267 27.652 1.00 0.00 H ATOM 941 N VAL A 63 27.873 -3.080 26.692 1.00 23.50 N ATOM 942 CA VAL A 63 28.896 -4.130 26.727 1.00 23.21 C ATOM 943 C VAL A 63 30.291 -3.513 26.773 1.00 23.05 C ATOM 944 O VAL A 63 30.481 -2.360 26.354 1.00 23.75 O ATOM 945 CB VAL A 63 28.792 -5.096 25.495 1.00 23.39 C ATOM 946 CG1 VAL A 63 27.450 -5.847 25.465 1.00 24.64 C ATOM 947 CG2 VAL A 63 29.029 -4.361 24.140 1.00 23.11 C ATOM 948 HA VAL A 63 28.722 -4.715 27.630 1.00 0.00 H ATOM 949 HB VAL A 63 29.591 -5.827 25.621 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.347 -6.440 26.374 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.634 -5.127 25.405 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.422 -6.504 24.596 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.281 -3.577 24.018 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.025 -3.918 24.138 1.00 0.00 H ATOM 955 HG23 VAL A 63 28.946 -5.076 23.321 1.00 0.00 H ATOM 956 H VAL A 63 28.008 -2.282 26.039 1.00 0.00 H ATOM 957 N ALA A 64 31.254 -4.282 27.251 1.00 22.61 N ATOM 958 CA ALA A 64 32.636 -3.796 27.279 1.00 22.17 C ATOM 959 C ALA A 64 33.159 -3.600 25.859 1.00 22.21 C ATOM 960 O ALA A 64 32.902 -4.422 24.946 1.00 21.67 O ATOM 961 CB ALA A 64 33.521 -4.742 28.073 1.00 22.50 C ATOM 962 HA ALA A 64 32.657 -2.828 27.780 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.150 -4.812 29.096 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.503 -5.729 27.610 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.542 -4.362 28.081 1.00 0.00 H ATOM 966 H ALA A 64 31.031 -5.233 27.608 1.00 0.00 H ATOM 967 N CYS A 65 33.900 -2.504 25.674 1.00 21.92 N ATOM 968 CA CYS A 65 34.588 -2.232 24.411 1.00 22.26 C ATOM 969 C CYS A 65 35.863 -3.014 24.310 1.00 21.11 C ATOM 970 O CYS A 65 36.478 -3.320 25.322 1.00 21.21 O ATOM 971 CB CYS A 65 34.980 -0.757 24.326 1.00 22.57 C ATOM 972 SG CYS A 65 33.610 0.399 24.459 1.00 25.11 S ATOM 973 HA CYS A 65 33.900 -2.510 23.612 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.471 -0.592 23.367 1.00 0.00 H ATOM 975 HB3 CYS A 65 35.681 -0.546 25.133 1.00 0.00 H ATOM 976 H CYS A 65 33.991 -1.821 26.453 1.00 0.00 H ATOM 977 N LYS A 66 36.294 -3.298 23.087 1.00 21.35 N ATOM 978 CA LYS A 66 37.568 -3.988 22.881 1.00 21.67 C ATOM 979 C LYS A 66 38.762 -3.293 23.554 1.00 21.40 C ATOM 980 O LYS A 66 39.663 -3.953 24.033 1.00 22.47 O ATOM 981 CB LYS A 66 37.851 -4.252 21.391 1.00 21.98 C ATOM 982 CG LYS A 66 36.979 -5.315 20.784 1.00 23.37 C ATOM 983 CD LYS A 66 37.242 -5.431 19.305 1.00 24.76 C ATOM 984 CE LYS A 66 36.495 -6.612 18.757 1.00 28.42 C ATOM 985 NZ LYS A 66 36.474 -6.509 17.277 1.00 33.39 N ATOM 986 HA LYS A 66 37.453 -4.951 23.379 1.00 0.00 H ATOM 987 HB2 LYS A 66 37.694 -3.324 20.842 1.00 0.00 H ATOM 988 HB3 LYS A 66 38.891 -4.561 21.289 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.192 -6.271 21.263 1.00 0.00 H ATOM 990 HG3 LYS A 66 35.932 -5.055 20.943 1.00 0.00 H ATOM 991 HD2 LYS A 66 36.906 -4.523 18.803 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.310 -5.565 19.135 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.475 -6.613 19.141 1.00 0.00 H ATOM 994 HE3 LYS A 66 36.994 -7.534 19.055 1.00 0.00 H ATOM 995 HZ1 LYS A 66 35.999 -5.627 16.999 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.450 -6.507 16.917 1.00 0.00 H ATOM 997 HZ3 LYS A 66 35.959 -7.321 16.881 1.00 0.00 H ATOM 998 H LYS A 66 35.719 -3.027 22.264 1.00 0.00 H ATOM 999 N ASN A 67 38.730 -1.963 23.624 1.00 22.42 N ATOM 1000 CA ASN A 67 39.820 -1.211 24.272 1.00 23.13 C ATOM 1001 C ASN A 67 39.661 -1.069 25.799 1.00 22.71 C ATOM 1002 O ASN A 67 40.453 -0.391 26.467 1.00 24.79 O ATOM 1003 CB ASN A 67 39.973 0.177 23.613 1.00 23.25 C ATOM 1004 CG ASN A 67 38.928 1.179 24.084 1.00 23.79 C ATOM 1005 OD1 ASN A 67 37.886 0.823 24.644 1.00 24.89 O ATOM 1006 ND2 ASN A 67 39.200 2.459 23.827 1.00 25.89 N ATOM 1007 HA ASN A 67 40.726 -1.797 24.121 1.00 0.00 H ATOM 1008 HB2 ASN A 67 40.962 0.568 23.852 1.00 0.00 H ATOM 1009 HB3 ASN A 67 39.881 0.061 22.533 1.00 0.00 H ATOM 1010 HD22 ASN A 67 40.089 2.717 23.353 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.523 3.200 24.100 1.00 0.00 H ATOM 1012 H ASN A 67 37.924 -1.448 23.216 1.00 0.00 H ATOM 1013 N GLY A 68 38.613 -1.687 26.344 1.00 22.07 N ATOM 1014 CA GLY A 68 38.377 -1.661 27.775 1.00 22.23 C ATOM 1015 C GLY A 68 37.533 -0.512 28.290 1.00 21.90 C ATOM 1016 O GLY A 68 37.248 -0.450 29.502 1.00 22.85 O ATOM 1017 HA3 GLY A 68 39.346 -1.612 28.272 1.00 0.00 H ATOM 1018 HA2 GLY A 68 37.877 -2.590 28.047 1.00 0.00 H ATOM 1019 H GLY A 68 37.949 -2.200 25.729 1.00 0.00 H ATOM 1020 N GLN A 69 37.161 0.425 27.409 1.00 21.72 N ATOM 1021 CA GLN A 69 36.204 1.445 27.802 1.00 22.93 C ATOM 1022 C GLN A 69 34.836 0.809 27.994 1.00 24.01 C ATOM 1023 O GLN A 69 34.615 -0.344 27.593 1.00 24.94 O ATOM 1024 CB GLN A 69 36.129 2.560 26.764 1.00 23.11 C ATOM 1025 CG GLN A 69 37.249 3.584 26.886 1.00 25.71 C ATOM 1026 CD GLN A 69 37.100 4.698 25.869 1.00 28.20 C ATOM 1027 OE1 GLN A 69 37.846 4.751 24.888 1.00 28.41 O ATOM 1028 NE2 GLN A 69 36.115 5.583 26.084 1.00 32.44 N ATOM 1029 HA GLN A 69 36.534 1.888 28.741 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.179 2.111 25.772 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.176 3.076 26.881 1.00 0.00 H ATOM 1032 HG2 GLN A 69 37.228 4.014 27.887 1.00 0.00 H ATOM 1033 HG3 GLN A 69 38.204 3.084 26.726 1.00 0.00 H ATOM 1034 HE22 GLN A 69 35.512 5.496 26.927 1.00 0.00 H ATOM 1035 HE21 GLN A 69 35.954 6.356 25.408 1.00 0.00 H ATOM 1036 H GLN A 69 37.556 0.423 26.447 1.00 0.00 H ATOM 1037 N THR A 70 33.933 1.561 28.604 1.00 24.20 N ATOM 1038 CA THR A 70 32.622 1.074 28.997 1.00 24.99 C ATOM 1039 C THR A 70 31.494 1.654 28.133 1.00 25.04 C ATOM 1040 O THR A 70 30.322 1.468 28.440 1.00 25.14 O ATOM 1041 CB THR A 70 32.329 1.395 30.487 1.00 25.55 C ATOM 1042 OG1 THR A 70 32.289 2.818 30.668 1.00 28.36 O ATOM 1043 CG2 THR A 70 33.396 0.803 31.390 1.00 27.77 C ATOM 1044 HA THR A 70 32.647 -0.006 28.849 1.00 0.00 H ATOM 1045 HB THR A 70 31.368 0.956 30.753 1.00 0.00 H ATOM 1046 HG1 THR A 70 31.575 3.202 30.100 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.427 -0.278 31.253 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.365 1.231 31.134 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.159 1.032 32.429 1.00 0.00 H ATOM 1050 H THR A 70 34.175 2.551 28.812 1.00 0.00 H ATOM 1051 N ASN A 71 31.851 2.391 27.082 1.00 23.28 N ATOM 1052 CA ASN A 71 30.865 3.137 26.289 1.00 23.39 C ATOM 1053 C ASN A 71 30.431 2.420 25.021 1.00 23.21 C ATOM 1054 O ASN A 71 30.134 3.061 24.016 1.00 23.19 O ATOM 1055 CB ASN A 71 31.376 4.546 25.948 1.00 23.32 C ATOM 1056 CG ASN A 71 32.595 4.544 25.045 1.00 23.67 C ATOM 1057 OD1 ASN A 71 33.488 3.706 25.171 1.00 24.17 O ATOM 1058 ND2 ASN A 71 32.627 5.490 24.104 1.00 21.27 N ATOM 1059 HA ASN A 71 29.982 3.214 26.924 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.576 5.092 25.448 1.00 0.00 H ATOM 1061 HB3 ASN A 71 31.635 5.054 26.877 1.00 0.00 H ATOM 1062 HD22 ASN A 71 31.851 6.179 24.033 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.428 5.538 23.442 1.00 0.00 H ATOM 1064 H ASN A 71 32.855 2.439 26.816 1.00 0.00 H ATOM 1065 N CYS A 72 30.413 1.089 25.050 1.00 22.52 N ATOM 1066 CA CYS A 72 29.955 0.328 23.889 1.00 22.55 C ATOM 1067 C CYS A 72 28.598 -0.292 24.085 1.00 22.01 C ATOM 1068 O CYS A 72 28.168 -0.577 25.216 1.00 22.88 O ATOM 1069 CB CYS A 72 30.971 -0.742 23.495 1.00 21.84 C ATOM 1070 SG CYS A 72 32.494 -0.031 22.803 1.00 24.80 S ATOM 1071 HA CYS A 72 29.861 1.049 23.077 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.519 -1.396 22.749 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.227 -1.325 24.380 1.00 0.00 H ATOM 1074 H CYS A 72 30.727 0.587 25.905 1.00 0.00 H ATOM 1075 N TYR A 73 27.903 -0.490 22.969 1.00 22.45 N ATOM 1076 CA TYR A 73 26.527 -0.948 22.989 1.00 22.82 C ATOM 1077 C TYR A 73 26.302 -1.926 21.872 1.00 22.97 C ATOM 1078 O TYR A 73 26.742 -1.689 20.737 1.00 24.13 O ATOM 1079 CB TYR A 73 25.560 0.238 22.859 1.00 24.04 C ATOM 1080 CG TYR A 73 25.801 1.211 23.965 1.00 22.77 C ATOM 1081 CD1 TYR A 73 26.766 2.199 23.824 1.00 24.06 C ATOM 1082 CD2 TYR A 73 25.103 1.109 25.186 1.00 25.37 C ATOM 1083 CE1 TYR A 73 27.064 3.070 24.857 1.00 25.95 C ATOM 1084 CE2 TYR A 73 25.389 1.991 26.228 1.00 23.60 C ATOM 1085 CZ TYR A 73 26.378 2.961 26.057 1.00 24.62 C ATOM 1086 OH TYR A 73 26.697 3.871 27.049 1.00 28.56 O ATOM 1087 HA TYR A 73 26.336 -1.442 23.942 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.533 -0.124 22.913 1.00 0.00 H ATOM 1089 HB2 TYR A 73 25.720 0.732 21.901 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.340 0.341 25.315 1.00 0.00 H ATOM 1091 HE2 TYR A 73 24.844 1.923 27.169 1.00 0.00 H ATOM 1092 HE1 TYR A 73 27.830 3.834 24.729 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.301 2.291 22.879 1.00 0.00 H ATOM 1094 HH TYR A 73 27.419 4.467 26.728 1.00 0.00 H ATOM 1095 H TYR A 73 28.361 -0.311 22.052 1.00 0.00 H ATOM 1096 N GLN A 74 25.649 -3.037 22.204 1.00 22.50 N ATOM 1097 CA GLN A 74 25.268 -4.062 21.225 1.00 22.50 C ATOM 1098 C GLN A 74 23.800 -3.918 20.825 1.00 22.83 C ATOM 1099 O GLN A 74 22.919 -3.740 21.677 1.00 22.86 O ATOM 1100 CB GLN A 74 25.522 -5.444 21.817 1.00 22.64 C ATOM 1101 CG GLN A 74 25.271 -6.605 20.892 1.00 23.15 C ATOM 1102 CD GLN A 74 25.782 -7.874 21.501 1.00 26.58 C ATOM 1103 OE1 GLN A 74 26.935 -7.939 21.924 1.00 27.40 O ATOM 1104 NE2 GLN A 74 24.924 -8.866 21.606 1.00 28.63 N ATOM 1105 HA GLN A 74 25.873 -3.933 20.327 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.564 -5.487 22.134 1.00 0.00 H ATOM 1107 HB3 GLN A 74 24.874 -5.561 22.686 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.200 -6.698 20.713 1.00 0.00 H ATOM 1109 HG3 GLN A 74 25.782 -6.428 19.946 1.00 0.00 H ATOM 1110 HE22 GLN A 74 23.959 -8.761 21.232 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.210 -9.755 22.063 1.00 0.00 H ATOM 1112 H GLN A 74 25.397 -3.186 23.202 1.00 0.00 H ATOM 1113 N SER A 75 23.526 -4.001 19.519 1.00 22.52 N ATOM 1114 CA SER A 75 22.160 -3.920 19.017 1.00 22.92 C ATOM 1115 C SER A 75 21.333 -5.098 19.499 1.00 23.07 C ATOM 1116 O SER A 75 21.815 -6.226 19.543 1.00 22.58 O ATOM 1117 CB SER A 75 22.180 -3.832 17.479 1.00 23.23 C ATOM 1118 OG SER A 75 22.696 -5.010 16.867 1.00 23.66 O ATOM 1119 HA SER A 75 21.688 -3.019 19.408 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.801 -2.986 17.186 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.161 -3.673 17.125 1.00 0.00 H ATOM 1122 HG SER A 75 22.134 -5.785 17.119 1.00 0.00 H ATOM 1123 H SER A 75 24.307 -4.127 18.844 1.00 0.00 H ATOM 1124 N TYR A 76 20.081 -4.836 19.877 1.00 22.75 N ATOM 1125 CA TYR A 76 19.206 -5.921 20.311 1.00 23.92 C ATOM 1126 C TYR A 76 18.831 -6.826 19.140 1.00 23.83 C ATOM 1127 O TYR A 76 18.607 -8.024 19.308 1.00 25.32 O ATOM 1128 CB TYR A 76 17.935 -5.388 21.008 1.00 23.73 C ATOM 1129 CG TYR A 76 18.213 -4.810 22.374 1.00 24.82 C ATOM 1130 CD1 TYR A 76 18.866 -5.563 23.339 1.00 23.75 C ATOM 1131 CD2 TYR A 76 17.812 -3.519 22.699 1.00 23.82 C ATOM 1132 CE1 TYR A 76 19.120 -5.043 24.621 1.00 24.53 C ATOM 1133 CE2 TYR A 76 18.064 -2.994 23.983 1.00 25.33 C ATOM 1134 CZ TYR A 76 18.727 -3.756 24.920 1.00 24.89 C ATOM 1135 OH TYR A 76 19.004 -3.280 26.204 1.00 26.82 O ATOM 1136 HA TYR A 76 19.764 -6.510 21.039 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.226 -6.209 21.115 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.496 -4.610 20.384 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.299 -2.908 21.956 1.00 0.00 H ATOM 1140 HE2 TYR A 76 17.734 -1.986 24.234 1.00 0.00 H ATOM 1141 HE1 TYR A 76 19.623 -5.652 25.372 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.188 -6.576 23.099 1.00 0.00 H ATOM 1143 HH TYR A 76 19.484 -3.978 26.717 1.00 0.00 H ATOM 1144 H TYR A 76 19.728 -3.858 19.863 1.00 0.00 H ATOM 1145 N SER A 77 18.778 -6.250 17.951 1.00 24.96 N ATOM 1146 CA SER A 77 18.386 -7.001 16.770 1.00 25.12 C ATOM 1147 C SER A 77 19.595 -7.154 15.872 1.00 24.37 C ATOM 1148 O SER A 77 20.552 -6.360 15.943 1.00 24.38 O ATOM 1149 CB SER A 77 17.307 -6.235 16.028 1.00 25.68 C ATOM 1150 OG SER A 77 16.135 -6.145 16.818 1.00 28.38 O ATOM 1151 HA SER A 77 18.006 -7.981 17.057 1.00 0.00 H ATOM 1152 HB2 SER A 77 17.074 -6.752 15.097 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.668 -5.231 15.804 1.00 0.00 H ATOM 1154 HG SER A 77 15.441 -5.643 16.321 1.00 0.00 H ATOM 1155 H SER A 77 19.021 -5.243 17.859 1.00 0.00 H ATOM 1156 N THR A 78 19.565 -8.171 15.017 1.00 24.26 N ATOM 1157 CA THR A 78 20.590 -8.256 13.991 1.00 24.72 C ATOM 1158 C THR A 78 20.341 -7.137 12.983 1.00 24.17 C ATOM 1159 O THR A 78 19.227 -6.641 12.832 1.00 24.66 O ATOM 1160 CB THR A 78 20.640 -9.606 13.227 1.00 24.82 C ATOM 1161 OG1 THR A 78 19.402 -9.836 12.553 1.00 26.04 O ATOM 1162 CG2 THR A 78 20.979 -10.773 14.151 1.00 26.62 C ATOM 1163 HA THR A 78 21.548 -8.166 14.502 1.00 0.00 H ATOM 1164 HB THR A 78 21.439 -9.540 12.489 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.238 -9.103 11.908 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.926 -10.574 14.653 1.00 0.00 H ATOM 1167 HG21 THR A 78 20.190 -10.888 14.894 1.00 0.00 H ATOM 1168 HG22 THR A 78 21.063 -11.687 13.564 1.00 0.00 H ATOM 1169 H THR A 78 18.820 -8.894 15.081 1.00 0.00 H ATOM 1170 N MET A 79 21.406 -6.753 12.307 1.00 23.27 N ATOM 1171 CA MET A 79 21.346 -5.730 11.283 1.00 23.05 C ATOM 1172 C MET A 79 22.061 -6.227 10.061 1.00 23.09 C ATOM 1173 O MET A 79 22.986 -7.041 10.153 1.00 22.77 O ATOM 1174 CB MET A 79 22.050 -4.470 11.789 1.00 23.63 C ATOM 1175 CG MET A 79 21.289 -3.774 12.913 1.00 23.45 C ATOM 1176 SD MET A 79 22.035 -2.191 13.351 1.00 25.47 S ATOM 1177 CE MET A 79 20.799 -1.532 14.440 1.00 24.74 C ATOM 1178 HA MET A 79 20.307 -5.503 11.046 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.038 -4.748 12.157 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.156 -3.773 10.958 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.290 -4.419 13.792 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.262 -3.603 12.590 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.856 -1.437 13.902 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.669 -2.204 15.288 1.00 0.00 H ATOM 1185 HE3 MET A 79 21.116 -0.552 14.796 1.00 0.00 H ATOM 1186 H MET A 79 22.321 -7.200 12.516 1.00 0.00 H ATOM 1187 N SER A 80 21.643 -5.722 8.904 1.00 22.23 N ATOM 1188 CA SER A 80 22.343 -6.018 7.656 1.00 22.27 C ATOM 1189 C SER A 80 23.657 -5.246 7.568 1.00 22.88 C ATOM 1190 O SER A 80 23.688 -4.023 7.735 1.00 22.68 O ATOM 1191 CB SER A 80 21.450 -5.638 6.492 1.00 21.86 C ATOM 1192 OG SER A 80 22.149 -5.780 5.271 1.00 23.11 O ATOM 1193 HA SER A 80 22.573 -7.083 7.624 1.00 0.00 H ATOM 1194 HB2 SER A 80 21.131 -4.602 6.606 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.574 -6.287 6.483 1.00 0.00 H ATOM 1196 HG SER A 80 21.554 -5.529 4.520 1.00 0.00 H ATOM 1197 H SER A 80 20.805 -5.107 8.887 1.00 0.00 H ATOM 1198 N ILE A 81 24.741 -5.980 7.361 1.00 22.61 N ATOM 1199 CA ILE A 81 26.082 -5.359 7.323 1.00 23.18 C ATOM 1200 C ILE A 81 26.940 -5.943 6.222 1.00 22.91 C ATOM 1201 O ILE A 81 26.673 -7.032 5.700 1.00 23.74 O ATOM 1202 CB ILE A 81 26.856 -5.510 8.672 1.00 22.93 C ATOM 1203 CG1 ILE A 81 27.167 -6.982 8.970 1.00 25.34 C ATOM 1204 CG2 ILE A 81 26.115 -4.787 9.811 1.00 24.33 C ATOM 1205 CD1 ILE A 81 28.177 -7.173 10.048 1.00 28.97 C ATOM 1206 HA ILE A 81 25.900 -4.301 7.134 1.00 0.00 H ATOM 1207 HB ILE A 81 27.824 -5.018 8.583 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.243 -7.475 9.272 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.544 -7.446 8.059 1.00 0.00 H ATOM 1210 HD11 ILE A 81 29.112 -6.695 9.757 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.810 -6.724 10.971 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.345 -8.239 10.202 1.00 0.00 H ATOM 1213 HG21 ILE A 81 26.029 -3.727 9.571 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.120 -5.217 9.926 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.673 -4.907 10.739 1.00 0.00 H ATOM 1216 H ILE A 81 24.647 -7.007 7.223 1.00 0.00 H ATOM 1217 N THR A 82 27.973 -5.208 5.854 1.00 23.37 N ATOM 1218 CA THR A 82 28.942 -5.711 4.913 1.00 23.27 C ATOM 1219 C THR A 82 30.330 -5.491 5.489 1.00 23.44 C ATOM 1220 O THR A 82 30.696 -4.354 5.838 1.00 23.60 O ATOM 1221 CB THR A 82 28.822 -4.989 3.556 1.00 23.17 C ATOM 1222 OG1 THR A 82 27.491 -5.158 3.049 1.00 22.25 O ATOM 1223 CG2 THR A 82 29.824 -5.575 2.555 1.00 24.93 C ATOM 1224 HA THR A 82 28.761 -6.773 4.745 1.00 0.00 H ATOM 1225 HB THR A 82 29.037 -3.929 3.694 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.843 -4.772 3.690 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.836 -5.447 2.939 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.618 -6.636 2.416 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.728 -5.057 1.601 1.00 0.00 H ATOM 1230 H THR A 82 28.089 -4.253 6.249 1.00 0.00 H ATOM 1231 N ASP A 83 31.068 -6.586 5.655 1.00 23.58 N ATOM 1232 CA ASP A 83 32.477 -6.529 6.020 1.00 24.91 C ATOM 1233 C ASP A 83 33.347 -6.422 4.771 1.00 24.12 C ATOM 1234 O ASP A 83 33.159 -7.154 3.791 1.00 23.79 O ATOM 1235 CB ASP A 83 32.882 -7.782 6.802 1.00 26.35 C ATOM 1236 CG ASP A 83 32.335 -7.795 8.211 1.00 30.57 C ATOM 1237 OD1 ASP A 83 32.327 -6.738 8.889 1.00 34.86 O ATOM 1238 OD2 ASP A 83 31.930 -8.885 8.657 1.00 35.26 O ATOM 1239 HA ASP A 83 32.625 -5.648 6.645 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.507 -8.659 6.274 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.970 -7.826 6.850 1.00 0.00 H ATOM 1242 H ASP A 83 30.623 -7.516 5.519 1.00 0.00 H ATOM 1243 N CYS A 84 34.294 -5.495 4.832 1.00 24.06 N ATOM 1244 CA CYS A 84 35.320 -5.329 3.818 1.00 23.91 C ATOM 1245 C CYS A 84 36.674 -5.714 4.393 1.00 25.42 C ATOM 1246 O CYS A 84 37.070 -5.194 5.428 1.00 25.21 O ATOM 1247 CB CYS A 84 35.352 -3.877 3.339 1.00 23.41 C ATOM 1248 SG CYS A 84 33.783 -3.352 2.639 1.00 21.99 S ATOM 1249 HA CYS A 84 35.093 -5.975 2.970 1.00 0.00 H ATOM 1250 HB2 CYS A 84 36.126 -3.776 2.578 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.590 -3.234 4.186 1.00 0.00 H ATOM 1252 H CYS A 84 34.302 -4.853 5.650 1.00 0.00 H ATOM 1253 N ARG A 85 37.377 -6.624 3.722 1.00 25.98 N ATOM 1254 CA ARG A 85 38.684 -7.080 4.195 1.00 27.29 C ATOM 1255 C ARG A 85 39.685 -7.004 3.058 1.00 27.35 C ATOM 1256 O ARG A 85 39.444 -7.547 1.981 1.00 26.18 O ATOM 1257 CB ARG A 85 38.572 -8.516 4.721 1.00 28.47 C ATOM 1258 CG ARG A 85 39.857 -9.102 5.302 1.00 31.72 C ATOM 1259 CD ARG A 85 39.641 -10.561 5.667 1.00 36.11 C ATOM 1260 NE ARG A 85 40.851 -11.358 5.474 1.00 40.34 N ATOM 1261 CZ ARG A 85 40.877 -12.686 5.354 1.00 41.42 C ATOM 1262 NH1 ARG A 85 39.754 -13.394 5.405 1.00 42.55 N ATOM 1263 NH2 ARG A 85 42.036 -13.313 5.179 1.00 42.46 N ATOM 1264 HA ARG A 85 39.026 -6.440 5.008 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.812 -8.530 5.502 1.00 0.00 H ATOM 1266 HB3 ARG A 85 38.254 -9.153 3.896 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.655 -9.028 4.563 1.00 0.00 H ATOM 1268 HG3 ARG A 85 40.138 -8.543 6.195 1.00 0.00 H ATOM 1269 HD2 ARG A 85 38.848 -10.967 5.040 1.00 0.00 H ATOM 1270 HD3 ARG A 85 39.342 -10.622 6.713 1.00 0.00 H ATOM 1271 HE ARG A 85 41.759 -10.852 5.427 1.00 0.00 H ATOM 1272 HH12 ARG A 85 39.787 -14.429 5.310 1.00 0.00 H ATOM 1273 HH11 ARG A 85 38.842 -12.913 5.540 1.00 0.00 H ATOM 1274 HH22 ARG A 85 42.058 -14.349 5.085 1.00 0.00 H ATOM 1275 HH21 ARG A 85 42.921 -12.768 5.136 1.00 0.00 H ATOM 1276 H ARG A 85 36.988 -7.019 2.842 1.00 0.00 H ATOM 1277 N GLU A 86 40.804 -6.322 3.296 1.00 27.79 N ATOM 1278 CA GLU A 86 41.832 -6.166 2.261 1.00 28.53 C ATOM 1279 C GLU A 86 42.394 -7.519 1.833 1.00 28.78 C ATOM 1280 O GLU A 86 42.752 -8.332 2.685 1.00 29.16 O ATOM 1281 CB GLU A 86 42.968 -5.260 2.744 1.00 28.59 C ATOM 1282 CG GLU A 86 43.748 -4.656 1.604 1.00 29.48 C ATOM 1283 CD GLU A 86 45.047 -3.996 2.025 1.00 28.67 C ATOM 1284 OE1 GLU A 86 45.689 -3.404 1.147 1.00 28.11 O ATOM 1285 OE2 GLU A 86 45.411 -4.052 3.219 1.00 30.31 O ATOM 1286 HA GLU A 86 41.355 -5.699 1.399 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.543 -4.455 3.343 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.648 -5.849 3.360 1.00 0.00 H ATOM 1289 HG2 GLU A 86 43.981 -5.447 0.891 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.123 -3.905 1.121 1.00 0.00 H ATOM 1291 H GLU A 86 40.952 -5.893 4.232 1.00 0.00 H ATOM 1292 N THR A 87 42.451 -7.756 0.521 1.00 28.86 N ATOM 1293 CA THR A 87 43.006 -9.000 -0.026 1.00 29.35 C ATOM 1294 C THR A 87 44.524 -9.014 0.116 1.00 29.72 C ATOM 1295 O THR A 87 45.157 -7.966 0.282 1.00 29.88 O ATOM 1296 CB THR A 87 42.646 -9.221 -1.528 1.00 29.18 C ATOM 1297 OG1 THR A 87 43.269 -8.215 -2.337 1.00 29.33 O ATOM 1298 CG2 THR A 87 41.129 -9.213 -1.756 1.00 28.70 C ATOM 1299 HA THR A 87 42.557 -9.809 0.551 1.00 0.00 H ATOM 1300 HB THR A 87 43.020 -10.203 -1.817 1.00 0.00 H ATOM 1301 HG1 THR A 87 42.950 -7.321 -2.054 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.666 -9.981 -1.137 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.728 -8.236 -1.487 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.920 -9.416 -2.806 1.00 0.00 H ATOM 1305 H THR A 87 42.090 -7.035 -0.136 1.00 0.00 H ATOM 1306 N GLY A 88 45.099 -10.212 0.049 1.00 30.01 N ATOM 1307 CA GLY A 88 46.551 -10.394 0.084 1.00 30.61 C ATOM 1308 C GLY A 88 47.291 -9.729 -1.065 1.00 30.90 C ATOM 1309 O GLY A 88 48.447 -9.325 -0.917 1.00 31.42 O ATOM 1310 HA3 GLY A 88 46.762 -11.463 0.054 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.925 -9.977 1.019 1.00 0.00 H ATOM 1312 H GLY A 88 44.492 -11.053 -0.031 1.00 0.00 H ATOM 1313 N SER A 89 46.625 -9.620 -2.213 1.00 31.02 N ATOM 1314 CA SER A 89 47.233 -9.063 -3.419 1.00 31.25 C ATOM 1315 C SER A 89 46.948 -7.570 -3.582 1.00 31.02 C ATOM 1316 O SER A 89 47.507 -6.914 -4.467 1.00 31.24 O ATOM 1317 CB SER A 89 46.758 -9.828 -4.659 1.00 31.11 C ATOM 1318 OG SER A 89 45.344 -9.847 -4.723 1.00 32.49 O ATOM 1319 HA SER A 89 48.312 -9.177 -3.312 1.00 0.00 H ATOM 1320 HB2 SER A 89 47.128 -10.852 -4.612 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.151 -9.342 -5.552 1.00 0.00 H ATOM 1322 HG SER A 89 45.058 -10.345 -5.529 1.00 0.00 H ATOM 1323 H SER A 89 45.637 -9.943 -2.252 1.00 0.00 H ATOM 1324 N SER A 90 46.068 -7.044 -2.733 1.00 31.12 N ATOM 1325 CA SER A 90 45.759 -5.621 -2.720 1.00 31.11 C ATOM 1326 C SER A 90 47.011 -4.802 -2.471 1.00 31.14 C ATOM 1327 O SER A 90 47.778 -5.079 -1.551 1.00 31.27 O ATOM 1328 CB SER A 90 44.736 -5.306 -1.637 1.00 31.15 C ATOM 1329 OG SER A 90 44.640 -3.905 -1.427 1.00 30.54 O ATOM 1330 HA SER A 90 45.347 -5.362 -3.695 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.040 -5.787 -0.707 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.762 -5.690 -1.942 1.00 0.00 H ATOM 1333 HG SER A 90 45.522 -3.553 -1.146 1.00 0.00 H ATOM 1334 H SER A 90 45.585 -7.670 -2.057 1.00 0.00 H ATOM 1335 N LYS A 91 47.204 -3.784 -3.295 1.00 31.47 N ATOM 1336 CA LYS A 91 48.341 -2.899 -3.150 1.00 31.95 C ATOM 1337 C LYS A 91 47.908 -1.452 -3.303 1.00 31.82 C ATOM 1338 O LYS A 91 47.576 -1.042 -4.444 1.00 32.55 O ATOM 1339 CB LYS A 91 49.430 -3.253 -4.182 1.00 31.82 C ATOM 1340 CG LYS A 91 50.282 -4.454 -3.759 1.00 33.08 C ATOM 1341 CD LYS A 91 51.359 -4.017 -2.743 1.00 34.12 C ATOM 1342 CE LYS A 91 51.328 -4.851 -1.477 1.00 33.44 C ATOM 1343 NZ LYS A 91 51.983 -6.182 -1.604 1.00 34.33 N ATOM 1344 HA LYS A 91 48.759 -3.028 -2.151 1.00 0.00 H ATOM 1345 HB2 LYS A 91 48.948 -3.485 -5.132 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.083 -2.390 -4.309 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.640 -5.207 -3.301 1.00 0.00 H ATOM 1348 HG3 LYS A 91 50.768 -4.878 -4.638 1.00 0.00 H ATOM 1349 HD2 LYS A 91 52.340 -4.119 -3.206 1.00 0.00 H ATOM 1350 HD3 LYS A 91 51.190 -2.973 -2.480 1.00 0.00 H ATOM 1351 HE2 LYS A 91 50.286 -5.008 -1.197 1.00 0.00 H ATOM 1352 HE3 LYS A 91 51.835 -4.295 -0.689 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 51.504 -6.734 -2.344 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 52.983 -6.052 -1.859 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 51.918 -6.687 -0.697 1.00 0.00 H ATOM 1356 H LYS A 91 46.524 -3.616 -4.064 1.00 0.00 H ATOM 1357 N TYR A 92 48.087 -0.699 -2.181 1.00 31.52 N ATOM 1358 CA TYR A 92 47.873 0.749 -2.241 1.00 31.29 C ATOM 1359 C TYR A 92 48.665 1.319 -3.380 1.00 30.79 C ATOM 1360 O TYR A 92 49.823 0.897 -3.575 1.00 30.72 O ATOM 1361 CB TYR A 92 48.288 1.386 -0.898 1.00 31.18 C ATOM 1362 CG TYR A 92 48.172 2.913 -0.921 1.00 31.20 C ATOM 1363 CD1 TYR A 92 46.945 3.674 -0.472 1.00 31.33 C ATOM 1364 CD2 TYR A 92 49.234 3.648 -1.427 1.00 30.33 C ATOM 1365 CE1 TYR A 92 46.948 5.112 -0.502 1.00 30.73 C ATOM 1366 CE2 TYR A 92 49.238 5.091 -1.460 1.00 30.86 C ATOM 1367 CZ TYR A 92 48.091 5.813 -0.989 1.00 31.72 C ATOM 1368 OH TYR A 92 48.062 7.225 -1.003 1.00 32.06 O ATOM 1369 HA TYR A 92 46.819 0.968 -2.411 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.322 1.115 -0.686 1.00 0.00 H ATOM 1371 HB2 TYR A 92 47.643 0.997 -0.110 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.101 3.114 -1.816 1.00 0.00 H ATOM 1373 HE2 TYR A 92 50.107 5.629 -1.840 1.00 0.00 H ATOM 1374 HE1 TYR A 92 46.077 5.666 -0.153 1.00 0.00 H ATOM 1375 HD1 TYR A 92 46.062 3.135 -0.127 1.00 0.00 H ATOM 1376 HH TYR A 92 47.195 7.540 -0.643 1.00 0.00 H ATOM 1377 H TYR A 92 48.374 -1.149 -1.288 1.00 0.00 H ATOM 1378 N PRO A 93 48.077 2.283 -4.160 1.00 30.69 N ATOM 1379 CA PRO A 93 46.804 3.032 -4.101 1.00 30.20 C ATOM 1380 C PRO A 93 45.614 2.200 -4.608 1.00 29.54 C ATOM 1381 O PRO A 93 44.461 2.611 -4.449 1.00 30.03 O ATOM 1382 CB PRO A 93 47.047 4.220 -5.094 1.00 30.25 C ATOM 1383 CG PRO A 93 47.994 3.646 -6.117 1.00 30.64 C ATOM 1384 CD PRO A 93 48.900 2.699 -5.336 1.00 30.53 C ATOM 1385 HA PRO A 93 46.557 3.327 -3.081 1.00 0.00 H ATOM 1386 HD3 PRO A 93 49.170 1.835 -5.943 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.806 3.211 -5.012 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.580 4.438 -6.583 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.444 3.103 -6.885 1.00 0.00 H ATOM 1390 HB2 PRO A 93 46.113 4.533 -5.561 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.498 5.069 -4.581 1.00 0.00 H ATOM 1392 N ASN A 94 45.918 1.039 -5.205 1.00 28.94 N ATOM 1393 CA ASN A 94 44.913 0.156 -5.819 1.00 28.36 C ATOM 1394 C ASN A 94 44.397 -0.854 -4.806 1.00 27.55 C ATOM 1395 O ASN A 94 44.691 -2.044 -4.881 1.00 28.33 O ATOM 1396 CB ASN A 94 45.503 -0.574 -7.051 1.00 28.28 C ATOM 1397 CG ASN A 94 46.008 0.407 -8.093 1.00 29.71 C ATOM 1398 OD1 ASN A 94 47.169 0.332 -8.524 1.00 29.80 O ATOM 1399 ND2 ASN A 94 45.145 1.343 -8.497 1.00 30.55 N ATOM 1400 HA ASN A 94 44.078 0.773 -6.151 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.332 -1.203 -6.726 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.728 -1.197 -7.498 1.00 0.00 H ATOM 1403 HD22 ASN A 94 44.181 1.365 -8.106 1.00 0.00 H ATOM 1404 HD21 ASN A 94 45.437 2.050 -9.202 1.00 0.00 H ATOM 1405 H ASN A 94 46.916 0.747 -5.236 1.00 0.00 H ATOM 1406 N CYS A 95 43.629 -0.369 -3.843 1.00 26.81 N ATOM 1407 CA CYS A 95 43.212 -1.207 -2.748 1.00 25.86 C ATOM 1408 C CYS A 95 42.104 -2.178 -3.170 1.00 25.75 C ATOM 1409 O CYS A 95 41.119 -1.777 -3.791 1.00 26.72 O ATOM 1410 CB CYS A 95 42.758 -0.317 -1.598 1.00 25.58 C ATOM 1411 SG CYS A 95 44.076 0.840 -1.097 1.00 24.60 S ATOM 1412 HA CYS A 95 44.054 -1.820 -2.425 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.493 -0.944 -0.747 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.885 0.254 -1.914 1.00 0.00 H ATOM 1415 H CYS A 95 43.324 0.625 -3.877 1.00 0.00 H ATOM 1416 N ALA A 96 42.284 -3.450 -2.821 1.00 24.50 N ATOM 1417 CA ALA A 96 41.356 -4.518 -3.195 1.00 23.64 C ATOM 1418 C ALA A 96 40.808 -5.203 -1.958 1.00 23.20 C ATOM 1419 O ALA A 96 41.537 -5.471 -0.999 1.00 22.95 O ATOM 1420 CB ALA A 96 42.029 -5.521 -4.090 1.00 23.75 C ATOM 1421 HA ALA A 96 40.527 -4.070 -3.743 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.376 -5.023 -4.995 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.879 -5.960 -3.567 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.319 -6.305 -4.354 1.00 0.00 H ATOM 1425 H ALA A 96 43.122 -3.696 -2.257 1.00 0.00 H ATOM 1426 N TYR A 97 39.511 -5.481 -1.995 1.00 22.11 N ATOM 1427 CA TYR A 97 38.784 -5.968 -0.843 1.00 22.25 C ATOM 1428 C TYR A 97 37.883 -7.143 -1.188 1.00 22.88 C ATOM 1429 O TYR A 97 37.299 -7.206 -2.274 1.00 23.02 O ATOM 1430 CB TYR A 97 37.919 -4.841 -0.286 1.00 21.90 C ATOM 1431 CG TYR A 97 38.727 -3.734 0.323 1.00 21.10 C ATOM 1432 CD1 TYR A 97 39.117 -2.633 -0.441 1.00 20.35 C ATOM 1433 CD2 TYR A 97 39.133 -3.805 1.659 1.00 21.66 C ATOM 1434 CE1 TYR A 97 39.887 -1.615 0.123 1.00 20.88 C ATOM 1435 CE2 TYR A 97 39.922 -2.801 2.220 1.00 22.83 C ATOM 1436 CZ TYR A 97 40.275 -1.706 1.449 1.00 22.80 C ATOM 1437 OH TYR A 97 41.039 -0.668 1.979 1.00 24.07 O ATOM 1438 HA TYR A 97 39.516 -6.305 -0.109 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.260 -5.253 0.479 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.319 -4.429 -1.097 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.829 -4.655 2.270 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.257 -2.877 3.254 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.181 -0.754 -0.477 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.818 -2.568 -1.487 1.00 0.00 H ATOM 1445 HH TYR A 97 40.559 -0.264 2.745 1.00 0.00 H ATOM 1446 H TYR A 97 38.996 -5.343 -2.888 1.00 0.00 H ATOM 1447 N LYS A 98 37.792 -8.073 -0.248 1.00 23.90 N ATOM 1448 CA LYS A 98 36.737 -9.077 -0.252 1.00 25.41 C ATOM 1449 C LYS A 98 35.492 -8.499 0.431 1.00 24.31 C ATOM 1450 O LYS A 98 35.569 -7.946 1.542 1.00 24.23 O ATOM 1451 CB LYS A 98 37.218 -10.335 0.464 1.00 25.17 C ATOM 1452 CG LYS A 98 36.151 -11.394 0.726 1.00 27.29 C ATOM 1453 CD LYS A 98 36.725 -12.588 1.501 1.00 28.49 C ATOM 1454 CE LYS A 98 37.527 -12.170 2.742 1.00 31.61 C ATOM 1455 NZ LYS A 98 36.662 -11.668 3.846 1.00 33.21 N ATOM 1456 HA LYS A 98 36.483 -9.347 -1.277 1.00 0.00 H ATOM 1457 HB2 LYS A 98 38.000 -10.790 -0.145 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.636 -10.035 1.425 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.344 -10.948 1.307 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.758 -11.746 -0.228 1.00 0.00 H ATOM 1461 HD2 LYS A 98 35.900 -13.225 1.819 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.381 -13.150 0.837 1.00 0.00 H ATOM 1463 HE2 LYS A 98 38.223 -11.381 2.458 1.00 0.00 H ATOM 1464 HE3 LYS A 98 38.086 -13.033 3.103 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 36.129 -10.838 3.517 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 35.999 -12.416 4.133 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 37.256 -11.401 4.656 1.00 0.00 H ATOM 1468 H LYS A 98 38.497 -8.086 0.517 1.00 0.00 H ATOM 1469 N THR A 99 34.355 -8.626 -0.257 1.00 24.53 N ATOM 1470 CA THR A 99 33.043 -8.170 0.213 1.00 24.41 C ATOM 1471 C THR A 99 32.249 -9.333 0.806 1.00 25.43 C ATOM 1472 O THR A 99 32.013 -10.330 0.116 1.00 25.35 O ATOM 1473 CB THR A 99 32.238 -7.567 -0.951 1.00 24.52 C ATOM 1474 OG1 THR A 99 32.914 -6.410 -1.436 1.00 23.45 O ATOM 1475 CG2 THR A 99 30.828 -7.161 -0.521 1.00 23.50 C ATOM 1476 HA THR A 99 33.208 -7.413 0.980 1.00 0.00 H ATOM 1477 HB THR A 99 32.154 -8.329 -1.726 1.00 0.00 H ATOM 1478 HG1 THR A 99 32.994 -5.746 -0.706 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.297 -8.037 -0.147 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.892 -6.410 0.266 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.293 -6.748 -1.377 1.00 0.00 H ATOM 1482 H THR A 99 34.403 -9.080 -1.191 1.00 0.00 H ATOM 1483 N THR A 100 31.832 -9.197 2.067 1.00 26.24 N ATOM 1484 CA THR A 100 31.030 -10.226 2.725 1.00 27.32 C ATOM 1485 C THR A 100 29.825 -9.646 3.449 1.00 27.08 C ATOM 1486 O THR A 100 29.971 -8.959 4.468 1.00 27.11 O ATOM 1487 CB THR A 100 31.839 -11.047 3.749 1.00 27.48 C ATOM 1488 OG1 THR A 100 33.067 -11.488 3.163 1.00 29.78 O ATOM 1489 CG2 THR A 100 31.028 -12.293 4.194 1.00 27.65 C ATOM 1490 HA THR A 100 30.700 -10.876 1.915 1.00 0.00 H ATOM 1491 HB THR A 100 32.046 -10.413 4.611 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.599 -10.701 2.883 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.088 -11.972 4.643 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.822 -12.920 3.326 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.606 -12.860 4.924 1.00 0.00 H ATOM 1496 H THR A 100 32.084 -8.337 2.594 1.00 0.00 H ATOM 1497 N GLN A 101 28.639 -9.953 2.934 1.00 27.60 N ATOM 1498 CA GLN A 101 27.407 -9.569 3.595 1.00 27.67 C ATOM 1499 C GLN A 101 27.080 -10.556 4.705 1.00 26.65 C ATOM 1500 O GLN A 101 27.346 -11.753 4.588 1.00 26.33 O ATOM 1501 CB GLN A 101 26.236 -9.460 2.611 1.00 28.63 C ATOM 1502 CG GLN A 101 25.330 -8.241 2.935 1.00 31.47 C ATOM 1503 CD GLN A 101 24.385 -8.449 4.121 1.00 33.49 C ATOM 1504 OE1 GLN A 101 23.835 -7.496 4.648 1.00 36.13 O ATOM 1505 NE2 GLN A 101 24.185 -9.693 4.527 1.00 36.90 N ATOM 1506 HA GLN A 101 27.558 -8.580 4.027 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.631 -9.349 1.601 1.00 0.00 H ATOM 1508 HB3 GLN A 101 25.639 -10.370 2.669 1.00 0.00 H ATOM 1509 HG2 GLN A 101 25.972 -7.389 3.157 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.727 -8.021 2.054 1.00 0.00 H ATOM 1511 HE22 GLN A 101 24.672 -10.480 4.052 1.00 0.00 H ATOM 1512 HE21 GLN A 101 23.541 -9.884 5.321 1.00 0.00 H ATOM 1513 H GLN A 101 28.594 -10.480 2.038 1.00 0.00 H ATOM 1514 N ALA A 102 26.520 -10.032 5.792 1.00 25.48 N ATOM 1515 CA ALA A 102 26.082 -10.849 6.909 1.00 25.09 C ATOM 1516 C ALA A 102 24.947 -10.128 7.629 1.00 24.48 C ATOM 1517 O ALA A 102 24.706 -8.951 7.408 1.00 24.60 O ATOM 1518 CB ALA A 102 27.245 -11.093 7.855 1.00 26.25 C ATOM 1519 HA ALA A 102 25.725 -11.814 6.550 1.00 0.00 H ATOM 1520 HB1 ALA A 102 28.043 -11.609 7.322 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.614 -10.138 8.229 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.909 -11.707 8.691 1.00 0.00 H ATOM 1523 H ALA A 102 26.392 -9.001 5.843 1.00 0.00 H ATOM 1524 N ASN A 103 24.230 -10.859 8.472 1.00 24.10 N ATOM 1525 CA ASN A 103 23.263 -10.253 9.376 1.00 23.79 C ATOM 1526 C ASN A 103 23.722 -10.577 10.774 1.00 23.60 C ATOM 1527 O ASN A 103 23.733 -11.744 11.180 1.00 23.59 O ATOM 1528 CB ASN A 103 21.855 -10.778 9.101 1.00 24.09 C ATOM 1529 CG ASN A 103 21.335 -10.311 7.775 1.00 26.36 C ATOM 1530 OD1 ASN A 103 20.826 -9.204 7.658 1.00 30.46 O ATOM 1531 ND2 ASN A 103 21.473 -11.150 6.758 1.00 29.51 N ATOM 1532 HA ASN A 103 23.211 -9.173 9.235 1.00 0.00 H ATOM 1533 HB2 ASN A 103 21.877 -11.868 9.108 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.187 -10.425 9.886 1.00 0.00 H ATOM 1535 HD22 ASN A 103 21.912 -12.081 6.908 1.00 0.00 H ATOM 1536 HD21 ASN A 103 21.142 -10.878 5.811 1.00 0.00 H ATOM 1537 H ASN A 103 24.362 -11.890 8.488 1.00 0.00 H ATOM 1538 N LYS A 104 24.142 -9.544 11.485 1.00 22.90 N ATOM 1539 CA LYS A 104 24.773 -9.729 12.783 1.00 24.02 C ATOM 1540 C LYS A 104 24.368 -8.599 13.707 1.00 23.92 C ATOM 1541 O LYS A 104 23.910 -7.540 13.257 1.00 24.23 O ATOM 1542 CB LYS A 104 26.306 -9.758 12.618 1.00 24.52 C ATOM 1543 CG LYS A 104 26.833 -11.002 11.892 1.00 25.17 C ATOM 1544 CD LYS A 104 28.348 -11.063 11.935 1.00 27.92 C ATOM 1545 CE LYS A 104 28.820 -11.808 13.171 1.00 34.87 C ATOM 1546 NZ LYS A 104 30.306 -11.821 13.357 1.00 39.94 N ATOM 1547 HA LYS A 104 24.448 -10.676 13.214 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.606 -8.877 12.051 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.758 -9.722 13.609 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.427 -11.893 12.372 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.508 -10.971 10.852 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.711 -11.578 11.046 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.747 -10.049 11.954 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.476 -12.840 13.099 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.371 -11.337 14.045 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.753 -12.279 12.537 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.652 -10.844 13.441 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.541 -12.349 14.222 1.00 0.00 H ATOM 1559 H LYS A 104 24.019 -8.582 11.110 1.00 0.00 H ATOM 1560 N HIS A 105 24.584 -8.794 15.005 1.00 23.64 N ATOM 1561 CA HIS A 105 24.412 -7.697 15.956 1.00 23.36 C ATOM 1562 C HIS A 105 25.629 -6.809 15.884 1.00 24.25 C ATOM 1563 O HIS A 105 26.750 -7.319 15.760 1.00 25.52 O ATOM 1564 CB HIS A 105 24.245 -8.228 17.388 1.00 24.52 C ATOM 1565 CG HIS A 105 23.083 -9.152 17.542 1.00 25.07 C ATOM 1566 ND1 HIS A 105 21.846 -8.730 17.975 1.00 28.12 N ATOM 1567 CD2 HIS A 105 22.951 -10.472 17.266 1.00 27.06 C ATOM 1568 CE1 HIS A 105 21.012 -9.754 17.991 1.00 29.08 C ATOM 1569 NE2 HIS A 105 21.658 -10.825 17.569 1.00 28.33 N ATOM 1570 HA HIS A 105 23.513 -7.138 15.698 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.153 -8.763 17.667 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.104 -7.380 18.058 1.00 0.00 H ATOM 1573 HD2 HIS A 105 23.726 -11.131 16.876 1.00 0.00 H ATOM 1574 HE1 HIS A 105 19.967 -9.720 18.300 1.00 0.00 H ATOM 1575 H HIS A 105 24.877 -9.732 15.345 1.00 0.00 H ATOM 1576 N ILE A 106 25.421 -5.504 15.913 1.00 23.18 N ATOM 1577 CA ILE A 106 26.579 -4.590 15.854 1.00 22.87 C ATOM 1578 C ILE A 106 26.948 -4.092 17.245 1.00 22.53 C ATOM 1579 O ILE A 106 26.088 -4.024 18.127 1.00 22.31 O ATOM 1580 CB ILE A 106 26.401 -3.390 14.862 1.00 22.36 C ATOM 1581 CG1 ILE A 106 25.291 -2.425 15.316 1.00 24.59 C ATOM 1582 CG2 ILE A 106 26.154 -3.889 13.422 1.00 24.75 C ATOM 1583 CD1 ILE A 106 25.286 -1.050 14.622 1.00 24.54 C ATOM 1584 HA ILE A 106 27.400 -5.184 15.453 1.00 0.00 H ATOM 1585 HB ILE A 106 27.335 -2.828 14.868 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.330 -2.903 15.123 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.405 -2.261 16.387 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.232 -0.544 14.814 1.00 0.00 H ATOM 1589 HD12 ILE A 106 25.156 -1.187 13.548 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.466 -0.449 15.015 1.00 0.00 H ATOM 1591 HG21 ILE A 106 27.004 -4.488 13.096 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.250 -4.497 13.400 1.00 0.00 H ATOM 1593 HG23 ILE A 106 26.035 -3.033 12.758 1.00 0.00 H ATOM 1594 H ILE A 106 24.454 -5.126 15.977 1.00 0.00 H ATOM 1595 N ILE A 107 28.228 -3.791 17.466 1.00 22.08 N ATOM 1596 CA ILE A 107 28.652 -3.137 18.707 1.00 22.70 C ATOM 1597 C ILE A 107 29.332 -1.838 18.320 1.00 23.11 C ATOM 1598 O ILE A 107 30.291 -1.864 17.554 1.00 22.74 O ATOM 1599 CB ILE A 107 29.604 -4.041 19.537 1.00 22.25 C ATOM 1600 CG1 ILE A 107 28.929 -5.367 19.919 1.00 22.68 C ATOM 1601 CG2 ILE A 107 30.107 -3.293 20.776 1.00 22.82 C ATOM 1602 CD1 ILE A 107 29.875 -6.390 20.573 1.00 24.03 C ATOM 1603 HA ILE A 107 27.788 -2.945 19.343 1.00 0.00 H ATOM 1604 HB ILE A 107 30.465 -4.287 18.915 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.122 -5.151 20.619 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.515 -5.813 19.015 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.683 -6.629 19.882 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.290 -5.966 21.487 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.319 -7.297 20.811 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.648 -2.399 20.465 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.257 -3.008 21.396 1.00 0.00 H ATOM 1612 HG23 ILE A 107 30.773 -3.942 21.345 1.00 0.00 H ATOM 1613 H ILE A 107 28.939 -4.025 16.744 1.00 0.00 H ATOM 1614 N VAL A 108 28.821 -0.725 18.836 1.00 22.93 N ATOM 1615 CA VAL A 108 29.380 0.599 18.527 1.00 23.39 C ATOM 1616 C VAL A 108 29.710 1.294 19.840 1.00 22.78 C ATOM 1617 O VAL A 108 29.138 0.969 20.899 1.00 23.05 O ATOM 1618 CB VAL A 108 28.378 1.469 17.714 1.00 23.72 C ATOM 1619 CG1 VAL A 108 28.076 0.825 16.341 1.00 26.12 C ATOM 1620 CG2 VAL A 108 27.067 1.717 18.511 1.00 24.39 C ATOM 1621 HA VAL A 108 30.274 0.472 17.917 1.00 0.00 H ATOM 1622 HB VAL A 108 28.847 2.437 17.539 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.002 0.732 15.773 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.641 -0.163 16.492 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.373 1.453 15.793 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.594 0.761 18.736 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.301 2.235 19.441 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.390 2.328 17.914 1.00 0.00 H ATOM 1629 H VAL A 108 28.004 -0.793 19.476 1.00 0.00 H ATOM 1630 N ALA A 109 30.683 2.204 19.797 1.00 22.39 N ATOM 1631 CA ALA A 109 31.004 3.055 20.943 1.00 22.54 C ATOM 1632 C ALA A 109 30.340 4.388 20.687 1.00 22.96 C ATOM 1633 O ALA A 109 30.374 4.911 19.549 1.00 22.82 O ATOM 1634 CB ALA A 109 32.490 3.253 21.060 1.00 23.58 C ATOM 1635 HA ALA A 109 30.655 2.598 21.869 1.00 0.00 H ATOM 1636 HB1 ALA A 109 32.975 2.286 21.193 1.00 0.00 H ATOM 1637 HB2 ALA A 109 32.865 3.727 20.153 1.00 0.00 H ATOM 1638 HB3 ALA A 109 32.704 3.889 21.919 1.00 0.00 H ATOM 1639 H ALA A 109 31.232 2.313 18.920 1.00 0.00 H ATOM 1640 N CYS A 110 29.772 4.952 21.750 1.00 22.23 N ATOM 1641 CA CYS A 110 29.039 6.237 21.671 1.00 23.32 C ATOM 1642 C CYS A 110 29.643 7.298 22.569 1.00 22.67 C ATOM 1643 O CYS A 110 30.171 6.988 23.646 1.00 22.48 O ATOM 1644 CB CYS A 110 27.575 6.013 22.040 1.00 24.27 C ATOM 1645 SG CYS A 110 26.827 4.713 21.007 1.00 25.33 S ATOM 1646 HA CYS A 110 29.115 6.600 20.646 1.00 0.00 H ATOM 1647 HB2 CYS A 110 27.025 6.943 21.895 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.513 5.715 23.087 1.00 0.00 H ATOM 1649 H CYS A 110 29.845 4.473 22.670 1.00 0.00 H ATOM 1650 N GLU A 111 29.554 8.550 22.137 1.00 21.20 N ATOM 1651 CA GLU A 111 30.044 9.675 22.921 1.00 20.90 C ATOM 1652 C GLU A 111 29.206 10.890 22.621 1.00 21.26 C ATOM 1653 O GLU A 111 28.539 10.928 21.589 1.00 21.94 O ATOM 1654 CB GLU A 111 31.473 10.037 22.515 1.00 21.00 C ATOM 1655 CG GLU A 111 32.495 8.971 22.843 1.00 24.28 C ATOM 1656 CD GLU A 111 33.901 9.423 22.567 1.00 28.07 C ATOM 1657 OE1 GLU A 111 34.807 8.954 23.287 1.00 34.74 O ATOM 1658 OE2 GLU A 111 34.113 10.223 21.651 1.00 30.11 O ATOM 1659 HA GLU A 111 30.000 9.391 23.972 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.491 10.209 21.439 1.00 0.00 H ATOM 1661 HB3 GLU A 111 31.755 10.954 23.033 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.410 8.717 23.899 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.286 8.088 22.240 1.00 0.00 H ATOM 1664 H GLU A 111 29.121 8.733 21.209 1.00 0.00 H ATOM 1665 N GLY A 112 29.304 11.889 23.495 1.00 19.90 N ATOM 1666 CA GLY A 112 28.807 13.229 23.207 1.00 19.71 C ATOM 1667 C GLY A 112 27.417 13.519 23.734 1.00 20.85 C ATOM 1668 O GLY A 112 26.772 12.653 24.342 1.00 21.05 O ATOM 1669 HA3 GLY A 112 28.794 13.361 22.125 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.495 13.949 23.651 1.00 0.00 H ATOM 1671 H GLY A 112 29.751 11.707 24.416 1.00 0.00 H ATOM 1672 N ASN A 113 26.967 14.737 23.448 1.00 22.26 N ATOM 1673 CA ASN A 113 25.596 15.147 23.700 1.00 23.65 C ATOM 1674 C ASN A 113 25.188 15.911 22.455 1.00 23.78 C ATOM 1675 O ASN A 113 25.652 17.029 22.258 1.00 24.46 O ATOM 1676 CB ASN A 113 25.496 16.015 24.949 1.00 24.36 C ATOM 1677 CG ASN A 113 24.060 16.289 25.358 1.00 26.83 C ATOM 1678 OD1 ASN A 113 23.107 15.923 24.661 1.00 27.93 O ATOM 1679 ND2 ASN A 113 23.902 16.929 26.506 1.00 29.91 N ATOM 1680 HA ASN A 113 24.941 14.296 23.888 1.00 0.00 H ATOM 1681 HB2 ASN A 113 26.002 15.506 25.769 1.00 0.00 H ATOM 1682 HB3 ASN A 113 25.991 16.966 24.754 1.00 0.00 H ATOM 1683 HD22 ASN A 113 24.734 17.218 27.059 1.00 0.00 H ATOM 1684 HD21 ASN A 113 22.946 17.143 26.855 1.00 0.00 H ATOM 1685 H ASN A 113 27.623 15.425 23.026 1.00 0.00 H ATOM 1686 N PRO A 114 24.369 15.289 21.579 1.00 24.51 N ATOM 1687 CA PRO A 114 23.677 14.016 21.772 1.00 24.02 C ATOM 1688 C PRO A 114 24.624 12.834 21.771 1.00 23.70 C ATOM 1689 O PRO A 114 25.704 12.874 21.156 1.00 22.69 O ATOM 1690 CB PRO A 114 22.773 13.916 20.539 1.00 25.24 C ATOM 1691 CG PRO A 114 23.464 14.723 19.505 1.00 25.55 C ATOM 1692 CD PRO A 114 24.107 15.853 20.241 1.00 24.74 C ATOM 1693 HA PRO A 114 23.157 13.990 22.730 1.00 0.00 H ATOM 1694 HD3 PRO A 114 25.036 16.155 19.757 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.436 16.710 20.304 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.748 15.102 18.776 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.217 14.123 18.994 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.674 12.879 20.217 1.00 0.00 H ATOM 1699 HB3 PRO A 114 21.785 14.325 20.751 1.00 0.00 H ATOM 1700 N TYR A 115 24.174 11.767 22.406 1.00 23.13 N ATOM 1701 CA TYR A 115 24.962 10.554 22.547 1.00 22.82 C ATOM 1702 C TYR A 115 24.833 9.695 21.297 1.00 23.55 C ATOM 1703 O TYR A 115 23.814 9.047 21.084 1.00 25.26 O ATOM 1704 CB TYR A 115 24.475 9.793 23.764 1.00 21.69 C ATOM 1705 CG TYR A 115 25.461 8.802 24.367 1.00 21.71 C ATOM 1706 CD1 TYR A 115 26.729 9.213 24.802 1.00 23.11 C ATOM 1707 CD2 TYR A 115 25.096 7.473 24.583 1.00 20.99 C ATOM 1708 CE1 TYR A 115 27.608 8.319 25.410 1.00 21.77 C ATOM 1709 CE2 TYR A 115 25.962 6.573 25.190 1.00 22.50 C ATOM 1710 CZ TYR A 115 27.203 7.001 25.616 1.00 22.13 C ATOM 1711 OH TYR A 115 28.037 6.080 26.218 1.00 23.84 O ATOM 1712 HA TYR A 115 26.014 10.811 22.675 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.580 9.241 23.477 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.220 10.521 24.534 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.109 7.133 24.268 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.663 5.534 25.329 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.600 8.646 25.721 1.00 0.00 H ATOM 1718 HD1 TYR A 115 27.033 10.250 24.662 1.00 0.00 H ATOM 1719 HH TYR A 115 27.598 5.719 27.028 1.00 0.00 H ATOM 1720 H TYR A 115 23.221 11.796 22.820 1.00 0.00 H ATOM 1721 N VAL A 116 25.873 9.677 20.475 1.00 23.13 N ATOM 1722 CA VAL A 116 25.780 9.047 19.156 1.00 22.97 C ATOM 1723 C VAL A 116 26.992 8.166 18.860 1.00 23.63 C ATOM 1724 O VAL A 116 28.015 8.276 19.540 1.00 22.82 O ATOM 1725 CB VAL A 116 25.638 10.107 18.048 1.00 23.06 C ATOM 1726 CG1 VAL A 116 24.279 10.806 18.169 1.00 21.95 C ATOM 1727 CG2 VAL A 116 26.773 11.112 18.123 1.00 22.90 C ATOM 1728 HA VAL A 116 24.891 8.417 19.171 1.00 0.00 H ATOM 1729 HB VAL A 116 25.691 9.615 17.077 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.482 10.069 18.068 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.206 11.290 19.143 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.185 11.554 17.382 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.753 11.609 19.093 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.724 10.594 17.998 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.654 11.852 17.332 1.00 0.00 H ATOM 1736 H VAL A 116 26.768 10.117 20.771 1.00 0.00 H ATOM 1737 N PRO A 117 26.872 7.277 17.859 1.00 23.57 N ATOM 1738 CA PRO A 117 28.012 6.430 17.543 1.00 23.78 C ATOM 1739 C PRO A 117 29.203 7.213 16.998 1.00 23.05 C ATOM 1740 O PRO A 117 29.040 8.068 16.114 1.00 24.16 O ATOM 1741 CB PRO A 117 27.475 5.489 16.463 1.00 24.67 C ATOM 1742 CG PRO A 117 25.996 5.537 16.616 1.00 25.27 C ATOM 1743 CD PRO A 117 25.681 6.943 17.051 1.00 23.75 C ATOM 1744 HA PRO A 117 28.385 5.924 18.434 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.580 7.611 16.196 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.771 6.980 17.649 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.668 4.822 17.370 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.507 5.313 15.668 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.770 5.834 15.472 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.844 4.475 16.618 1.00 0.00 H ATOM 1751 N VAL A 118 30.389 6.877 17.508 1.00 23.21 N ATOM 1752 CA VAL A 118 31.643 7.465 17.033 1.00 23.74 C ATOM 1753 C VAL A 118 32.668 6.389 16.621 1.00 23.43 C ATOM 1754 O VAL A 118 33.698 6.729 16.065 1.00 24.54 O ATOM 1755 CB VAL A 118 32.253 8.438 18.078 1.00 23.74 C ATOM 1756 CG1 VAL A 118 31.298 9.622 18.359 1.00 24.28 C ATOM 1757 CG2 VAL A 118 32.623 7.681 19.373 1.00 24.53 C ATOM 1758 HA VAL A 118 31.397 8.042 16.141 1.00 0.00 H ATOM 1759 HB VAL A 118 33.171 8.856 17.665 1.00 0.00 H ATOM 1760 HG11 VAL A 118 31.119 10.170 17.434 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.353 9.241 18.746 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.752 10.286 19.094 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.727 7.225 19.794 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.353 6.905 19.143 1.00 0.00 H ATOM 1765 HG23 VAL A 118 33.049 8.381 20.092 1.00 0.00 H ATOM 1766 H VAL A 118 30.424 6.171 18.271 1.00 0.00 H ATOM 1767 N HIS A 119 32.394 5.107 16.872 1.00 23.18 N ATOM 1768 CA HIS A 119 33.368 4.072 16.554 1.00 23.67 C ATOM 1769 C HIS A 119 32.632 2.758 16.361 1.00 23.92 C ATOM 1770 O HIS A 119 31.698 2.442 17.100 1.00 24.01 O ATOM 1771 CB HIS A 119 34.404 3.978 17.691 1.00 25.08 C ATOM 1772 CG HIS A 119 35.127 2.665 17.756 1.00 22.79 C ATOM 1773 ND1 HIS A 119 36.147 2.325 16.887 1.00 23.82 N ATOM 1774 CD2 HIS A 119 35.005 1.621 18.616 1.00 23.52 C ATOM 1775 CE1 HIS A 119 36.588 1.113 17.185 1.00 24.36 C ATOM 1776 NE2 HIS A 119 35.916 0.671 18.232 1.00 24.49 N ATOM 1777 HA HIS A 119 33.902 4.311 15.634 1.00 0.00 H ATOM 1778 HB2 HIS A 119 35.141 4.768 17.548 1.00 0.00 H ATOM 1779 HB3 HIS A 119 33.887 4.132 18.638 1.00 0.00 H ATOM 1780 HD2 HIS A 119 34.312 1.551 19.455 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.373 0.572 16.656 1.00 0.00 H ATOM 1782 H HIS A 119 31.481 4.846 17.296 1.00 0.00 H ATOM 1783 N PHE A 120 33.031 2.003 15.342 1.00 23.66 N ATOM 1784 CA PHE A 120 32.474 0.682 15.125 1.00 23.25 C ATOM 1785 C PHE A 120 33.390 -0.316 15.793 1.00 22.99 C ATOM 1786 O PHE A 120 34.560 -0.406 15.437 1.00 23.49 O ATOM 1787 CB PHE A 120 32.331 0.378 13.627 1.00 23.73 C ATOM 1788 CG PHE A 120 31.529 -0.866 13.357 1.00 22.66 C ATOM 1789 CD1 PHE A 120 30.146 -0.789 13.164 1.00 25.49 C ATOM 1790 CD2 PHE A 120 32.153 -2.132 13.349 1.00 22.80 C ATOM 1791 CE1 PHE A 120 29.390 -1.954 12.962 1.00 26.37 C ATOM 1792 CE2 PHE A 120 31.407 -3.293 13.146 1.00 24.77 C ATOM 1793 CZ PHE A 120 30.027 -3.205 12.942 1.00 24.88 C ATOM 1794 HA PHE A 120 31.473 0.624 15.553 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.837 1.222 13.146 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.326 0.250 13.201 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.230 -2.203 13.503 1.00 0.00 H ATOM 1798 HE2 PHE A 120 31.899 -4.266 13.146 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.444 -4.109 12.767 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.311 -1.888 12.821 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.652 0.183 13.171 1.00 0.00 H ATOM 1802 H PHE A 120 33.755 2.366 14.689 1.00 0.00 H ATOM 1803 N ASP A 121 32.866 -1.058 16.777 1.00 22.10 N ATOM 1804 CA ASP A 121 33.751 -1.926 17.564 1.00 23.05 C ATOM 1805 C ASP A 121 33.811 -3.363 17.082 1.00 22.61 C ATOM 1806 O ASP A 121 34.894 -3.956 17.059 1.00 23.90 O ATOM 1807 CB ASP A 121 33.350 -1.912 19.042 1.00 22.60 C ATOM 1808 CG ASP A 121 34.529 -2.122 19.974 1.00 25.02 C ATOM 1809 OD1 ASP A 121 35.589 -1.474 19.779 1.00 24.02 O ATOM 1810 OD2 ASP A 121 34.438 -2.963 20.917 1.00 23.18 O ATOM 1811 HA ASP A 121 34.748 -1.507 17.429 1.00 0.00 H ATOM 1812 HB2 ASP A 121 32.893 -0.949 19.270 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.624 -2.707 19.214 1.00 0.00 H ATOM 1814 H ASP A 121 31.847 -1.020 16.981 1.00 0.00 H ATOM 1815 N ALA A 122 32.656 -3.938 16.724 1.00 21.76 N ATOM 1816 CA ALA A 122 32.573 -5.369 16.409 1.00 22.05 C ATOM 1817 C ALA A 122 31.215 -5.711 15.860 1.00 22.68 C ATOM 1818 O ALA A 122 30.254 -4.987 16.019 1.00 23.10 O ATOM 1819 CB ALA A 122 32.785 -6.222 17.664 1.00 22.86 C ATOM 1820 HA ALA A 122 33.351 -5.579 15.674 1.00 0.00 H ATOM 1821 HB1 ALA A 122 33.770 -6.012 18.082 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.018 -5.981 18.400 1.00 0.00 H ATOM 1823 HB3 ALA A 122 32.718 -7.277 17.400 1.00 0.00 H ATOM 1824 H ALA A 122 31.796 -3.356 16.668 1.00 0.00 H ATOM 1825 N SER A 123 31.141 -6.882 15.232 1.00 24.12 N ATOM 1826 CA SER A 123 29.848 -7.487 14.965 1.00 26.09 C ATOM 1827 C SER A 123 29.875 -8.890 15.529 1.00 26.22 C ATOM 1828 O SER A 123 30.925 -9.527 15.529 1.00 27.60 O ATOM 1829 CB SER A 123 29.543 -7.507 13.476 1.00 27.20 C ATOM 1830 OG SER A 123 30.412 -8.388 12.796 1.00 30.58 O ATOM 1831 HA SER A 123 29.059 -6.902 15.437 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.666 -6.502 13.073 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.514 -7.834 13.326 1.00 0.00 H ATOM 1834 HG SER A 123 31.348 -8.092 12.926 1.00 0.00 H ATOM 1835 H SER A 123 32.012 -7.365 14.932 1.00 0.00 H ATOM 1836 N VAL A 124 28.739 -9.337 16.055 1.00 26.33 N ATOM 1837 CA VAL A 124 28.648 -10.646 16.724 1.00 28.01 C ATOM 1838 C VAL A 124 27.402 -11.429 16.306 1.00 28.49 C ATOM 1839 O VAL A 124 26.418 -10.863 15.848 1.00 29.19 O ATOM 1840 CB VAL A 124 28.690 -10.542 18.279 1.00 28.29 C ATOM 1841 CG1 VAL A 124 30.030 -10.012 18.746 1.00 29.41 C ATOM 1842 CG2 VAL A 124 27.564 -9.667 18.805 1.00 29.45 C ATOM 1843 HA VAL A 124 29.534 -11.188 16.394 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.349 -12.650 16.431 1.00 29.49 O ATOM 1845 HB VAL A 124 28.553 -11.546 18.680 1.00 0.00 H ATOM 1846 HG11 VAL A 124 30.821 -10.686 18.417 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.195 -9.021 18.322 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.035 -9.948 19.834 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.659 -8.665 18.387 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.606 -10.095 18.511 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.623 -9.616 19.892 1.00 0.00 H ATOM 1852 H VAL A 124 27.887 -8.743 15.992 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 44.428 -6.570 9.273 1.00 38.61 O HETATM 1855 O HOH 2 40.526 6.742 20.271 1.00 45.20 O HETATM 1856 O HOH 3 30.004 -10.191 -2.375 1.00 32.07 O HETATM 1857 O HOH 4 30.219 0.786 33.304 1.00 44.82 O HETATM 1858 O HOH 5 31.948 -7.069 25.291 1.00 12.33 O HETATM 1859 O HOH 6 31.041 7.774 26.250 1.00 11.86 O HETATM 1860 O HOH 7 32.933 -4.985 22.094 1.00 12.05 O HETATM 1861 O HOH 8 37.306 -0.368 21.551 1.00 15.81 O HETATM 1862 O HOH 9 27.426 8.942 14.140 1.00 15.94 O HETATM 1863 O HOH 10 34.496 8.482 14.215 1.00 22.03 O HETATM 1864 O HOH 11 24.066 6.006 4.544 1.00 20.41 O HETATM 1865 O HOH 12 17.977 0.100 16.689 1.00 16.81 O HETATM 1866 O HOH 13 34.853 -1.372 10.900 1.00 19.61 O HETATM 1867 O HOH 14 25.284 10.581 13.932 1.00 21.15 O HETATM 1868 O HOH 15 35.083 -5.669 -3.231 1.00 20.87 O HETATM 1869 O HOH 16 16.874 0.161 9.373 1.00 20.86 O HETATM 1870 O HOH 17 28.784 -9.595 22.853 1.00 18.44 O HETATM 1871 O HOH 18 18.320 -0.751 26.726 1.00 21.65 O HETATM 1872 O HOH 19 25.037 0.597 31.582 1.00 23.50 O HETATM 1873 O HOH 20 34.102 5.886 12.680 1.00 21.46 O HETATM 1874 O HOH 21 19.893 -5.072 28.051 1.00 19.96 O HETATM 1875 O HOH 22 30.711 13.957 17.113 1.00 21.40 O HETATM 1876 O HOH 23 29.683 12.791 19.426 1.00 21.93 O HETATM 1877 O HOH 24 25.248 12.888 26.564 1.00 21.65 O HETATM 1878 O HOH 25 29.717 12.348 7.265 1.00 24.12 O HETATM 1879 O HOH 26 27.255 14.310 19.576 1.00 19.93 O HETATM 1880 O HOH 27 29.074 -3.413 -8.946 1.00 27.95 O HETATM 1881 O HOH 28 26.461 14.674 16.932 1.00 22.42 O HETATM 1882 O HOH 29 46.875 -1.480 3.991 1.00 27.78 O HETATM 1883 O HOH 30 22.330 8.036 19.074 1.00 27.10 O HETATM 1884 O HOH 31 33.813 -8.106 14.737 1.00 28.41 O HETATM 1885 O HOH 32 34.969 -9.683 3.727 1.00 25.60 O HETATM 1886 O HOH 33 52.240 0.232 -2.172 1.00 29.26 O HETATM 1887 O HOH 34 17.293 -2.366 15.369 1.00 26.05 O HETATM 1888 O HOH 35 24.995 13.001 15.075 1.00 21.82 O HETATM 1889 O HOH 36 39.509 -0.957 19.923 1.00 31.48 O HETATM 1890 O HOH 37 18.517 -3.316 17.505 1.00 30.08 O HETATM 1891 O HOH 38 21.439 8.466 22.300 1.00 30.94 O HETATM 1892 O HOH 39 33.075 -8.503 -9.980 1.00 25.09 O HETATM 1893 O HOH 40 17.322 6.788 17.060 1.00 28.62 O HETATM 1894 O HOH 41 32.467 4.605 33.192 1.00 33.20 O HETATM 1895 O HOH 42 20.410 6.217 21.392 1.00 24.18 O HETATM 1896 O HOH 43 23.564 1.682 29.455 1.00 23.14 O HETATM 1897 O HOH 44 39.445 0.268 -3.143 1.00 27.68 O HETATM 1898 O HOH 45 41.364 -1.330 9.803 1.00 27.98 O HETATM 1899 O HOH 46 29.212 -14.340 17.379 1.00 28.70 O HETATM 1900 O HOH 47 50.155 -7.488 -0.009 1.00 40.48 O HETATM 1901 O HOH 48 24.591 16.716 16.700 1.00 32.43 O HETATM 1902 O HOH 49 39.079 8.097 6.874 1.00 35.94 O HETATM 1903 O HOH 50 17.881 -5.964 9.111 1.00 34.67 O HETATM 1904 O HOH 51 32.537 12.877 20.313 1.00 29.26 O HETATM 1905 O HOH 52 27.951 -9.467 -7.104 1.00 25.92 O HETATM 1906 O HOH 53 40.662 -6.392 22.812 1.00 29.34 O HETATM 1907 O HOH 54 29.058 15.850 16.319 1.00 31.29 O HETATM 1908 O HOH 55 34.272 -9.371 -3.245 1.00 24.55 O HETATM 1909 O HOH 56 30.191 -6.490 28.810 1.00 26.56 O HETATM 1910 O HOH 57 24.491 8.143 7.621 1.00 30.37 O HETATM 1911 O HOH 58 24.248 -12.411 15.345 1.00 30.92 O HETATM 1912 O HOH 59 31.917 13.757 6.732 1.00 30.77 O HETATM 1913 O HOH 60 29.949 6.560 -1.179 1.00 30.53 O HETATM 1914 O HOH 61 19.329 -8.245 9.735 1.00 30.86 O HETATM 1915 O HOH 62 17.201 -10.080 15.257 1.00 33.78 O HETATM 1916 O HOH 63 40.016 6.616 -0.779 1.00 25.50 O HETATM 1917 O HOH 64 18.223 9.261 16.640 1.00 33.61 O HETATM 1918 O HOH 65 27.092 5.762 -0.300 1.00 30.08 O HETATM 1919 O HOH 66 33.177 21.140 7.479 1.00 40.14 O HETATM 1920 O HOH 67 27.199 13.529 11.316 1.00 35.17 O HETATM 1921 O HOH 68 29.999 4.328 29.834 1.00 29.19 O HETATM 1922 O HOH 69 21.496 12.093 23.542 1.00 35.06 O HETATM 1923 O HOH 70 30.324 17.373 10.831 1.00 31.90 O HETATM 1924 O HOH 71 36.298 -0.090 13.211 1.00 32.89 O HETATM 1925 O HOH 72 51.407 -1.778 -0.435 1.00 36.47 O HETATM 1926 O HOH 73 29.220 16.544 24.810 1.00 27.12 O HETATM 1927 O HOH 74 18.568 1.205 5.365 1.00 31.55 O HETATM 1928 O HOH 75 24.491 -13.660 8.375 1.00 33.04 O HETATM 1929 O HOH 76 22.886 -11.259 4.621 1.00 37.85 O HETATM 1930 O HOH 77 41.799 3.147 22.537 1.00 33.49 O HETATM 1931 O HOH 78 38.270 -7.548 -4.952 1.00 31.73 O HETATM 1932 O HOH 79 46.112 -4.095 -6.014 1.00 40.92 O HETATM 1933 O HOH 80 33.250 -9.992 16.825 1.00 35.57 O HETATM 1934 O HOH 81 36.655 18.543 7.554 1.00 49.68 O HETATM 1935 O HOH 82 34.577 15.324 17.184 1.00 36.78 O HETATM 1936 O HOH 83 28.622 16.132 21.205 1.00 29.44 O HETATM 1937 O HOH 84 17.280 2.663 21.759 1.00 28.35 O HETATM 1938 O HOH 85 24.471 -4.789 29.848 1.00 31.72 O HETATM 1939 O HOH 86 22.936 4.825 26.829 1.00 27.92 O HETATM 1940 O HOH 87 35.690 -4.310 -8.091 1.00 38.88 O HETATM 1941 O HOH 88 17.704 -2.008 12.525 1.00 30.36 O HETATM 1942 O HOH 89 29.620 1.968 -4.839 1.00 43.05 O HETATM 1943 O HOH 90 34.275 10.224 -3.087 1.00 32.87 O HETATM 1944 O HOH 91 27.616 18.588 23.555 1.00 29.00 O HETATM 1945 O HOH 92 18.346 -11.199 18.476 1.00 45.99 O HETATM 1946 O HOH 93 22.483 13.733 15.876 1.00 36.92 O HETATM 1947 O HOH 94 26.582 -14.358 14.227 1.00 38.04 O HETATM 1948 O HOH 95 32.210 -6.622 11.715 1.00 28.74 O HETATM 1949 O HOH 96 20.810 12.444 17.585 1.00 42.30 O HETATM 1950 O HOH 97 26.439 20.051 25.401 1.00 32.64 O HETATM 1951 O HOH 98 24.949 -13.034 3.567 1.00 38.09 O HETATM 1952 O HOH 99 14.643 -2.836 14.811 1.00 32.96 O HETATM 1953 O HOH 100 21.808 12.984 13.129 1.00 32.53 O HETATM 1954 O HOH 101 16.713 -7.943 12.225 1.00 34.22 O HETATM 1955 O HOH 102 14.377 4.297 10.813 1.00 29.07 O HETATM 1956 O HOH 103 40.954 6.024 7.336 1.00 33.66 O HETATM 1957 O HOH 104 36.676 -10.021 -4.088 1.00 35.91 O HETATM 1958 O HOH 105 34.777 4.271 -5.915 1.00 35.82 O HETATM 1959 O HOH 106 22.023 -5.108 29.907 1.00 27.54 O HETATM 1960 O HOH 107 47.804 -1.595 6.938 1.00 39.82 O HETATM 1961 O HOH 108 28.046 16.518 9.143 1.00 37.12 O HETATM 1962 O HOH 109 39.830 -7.558 20.643 1.00 35.99 O HETATM 1963 O HOH 110 23.350 12.968 10.848 1.00 30.49 O HETATM 1964 O HOH 111 35.426 6.639 -6.035 1.00 37.39 O HETATM 1965 O HOH 112 43.066 2.290 24.678 1.00 33.55 O HETATM 1966 O HOH 113 21.047 16.482 22.830 1.00 45.40 O HETATM 1967 O HOH 114 21.955 -8.238 21.339 1.00 33.25 O HETATM 1968 O HOH 115 26.629 -8.917 28.499 1.00 43.41 O HETATM 1969 O HOH 116 43.875 5.006 -3.329 1.00 35.00 O HETATM 1970 O HOH 117 40.051 6.411 9.993 1.00 41.81 O HETATM 1971 O HOH 118 39.962 11.442 9.627 1.00 58.60 O HETATM 1972 O HOH 119 35.443 2.399 -7.818 1.00 37.66 O HETATM 1973 O HOH 120 27.737 -6.349 29.652 1.00 30.16 O HETATM 1974 O HOH 121 28.669 1.376 -8.999 1.00 43.18 O HETATM 1975 O HOH 122 30.629 -10.343 6.906 1.00 43.46 O HETATM 1976 O HOH 123 43.212 -11.425 -4.771 1.00 51.90 O HETATM 1977 O HOH 124 18.353 0.122 1.974 1.00 40.34 O HETATM 1978 O HOH 125 34.100 18.256 6.683 1.00 36.06 O HETATM 1979 O HOH 126 30.298 -1.560 29.828 1.00 35.01 O HETATM 1980 O HOH 127 31.130 -3.548 31.261 1.00 35.94 O HETATM 1981 O HOH 128 25.009 -8.538 -0.456 1.00 39.72 O HETATM 1982 O HOH 129 24.001 5.278 1.277 1.00 37.72 O HETATM 1983 O HOH 130 40.662 -1.889 -6.480 1.00 44.20 O HETATM 1984 O HOH 131 30.089 5.509 32.301 1.00 38.33 O HETATM 1985 O HOH 132 48.337 2.023 -10.611 1.00 43.53 O HETATM 1986 O HOH 133 22.234 4.392 29.207 1.00 34.79 O HETATM 1987 O HOH 134 40.824 1.342 28.461 1.00 36.15 O HETATM 1988 O HOH 135 40.167 0.740 18.161 1.00 46.28 O HETATM 1989 O HOH 136 39.209 -0.932 11.351 1.00 38.27 O HETATM 1990 O HOH 137 39.583 -9.430 8.874 1.00 48.82 O HETATM 1991 O HOH 138 23.696 -13.516 13.162 1.00 33.99 O HETATM 1992 O HOH 139 36.525 10.350 15.219 1.00 38.69 O HETATM 1993 O HOH 140 34.451 -5.214 13.157 1.00 44.14 O HETATM 1994 O HOH 141 50.897 3.046 -8.894 1.00 39.83 O HETATM 1995 O HOH 142 38.396 -1.134 -7.762 1.00 38.36 O HETATM 1996 O HOH 143 37.211 -2.418 16.970 1.00 36.74 O HETATM 1997 O HOH 144 37.660 13.245 11.520 1.00 55.47 O HETATM 1998 O HOH 145 31.304 -10.032 10.648 1.00 38.58 O HETATM 1999 O HOH 146 38.163 18.492 12.972 1.00 52.74 O HETATM 2000 O HOH 147 28.141 -2.874 31.124 1.00 45.78 O HETATM 2001 O HOH 148 28.521 -1.197 33.898 1.00 42.06 O HETATM 2002 O HOH 149 19.764 -13.009 16.858 1.00 43.62 O HETATM 2003 O HOH 150 37.143 12.924 14.289 1.00 51.14 O HETATM 2004 O HOH 151 13.472 -0.056 11.098 1.00 47.75 O HETATM 2005 O HOH 152 37.550 6.257 -8.839 1.00 48.91 O HETATM 2006 O HOH 153 31.194 3.362 -9.065 1.00 47.87 O HETATM 2007 O HOH 154 37.094 12.360 3.865 1.00 35.67 O HETATM 2008 O HOH 155 49.070 -6.943 -6.878 1.00 41.80 O HETATM 2009 O HOH 156 27.814 -14.463 5.153 1.00 35.72 O HETATM 2010 O HOH 157 36.046 14.504 5.576 1.00 45.43 O HETATM 2011 O HOH 158 21.845 16.681 27.443 1.00 46.78 O HETATM 2012 O HOH 159 47.051 -4.831 7.692 1.00 43.15 O HETATM 2013 O HOH 160 36.312 7.635 18.286 1.00 34.58 O HETATM 2014 O HOH 161 27.681 15.947 13.265 1.00 41.65 O HETATM 2015 O HOH 162 46.839 2.897 11.907 1.00 42.66 O HETATM 2016 O HOH 163 25.487 -3.843 31.929 1.00 49.08 O HETATM 2017 O HOH 164 50.526 -0.138 -6.275 1.00 45.90 O HETATM 2018 O HOH 165 37.625 14.919 15.986 1.00 50.31 O HETATM 2019 O HOH 166 25.282 19.301 20.455 1.00 41.39 O HETATM 2020 O HOH 167 23.896 -8.404 -5.435 1.00 34.54 O HETATM 2021 O HOH 168 41.367 8.247 8.452 1.00 55.16 O HETATM 2022 O HOH 169 22.841 19.743 23.230 1.00 42.27 O HETATM 2023 O HOH 170 33.159 -6.339 -11.499 1.00 50.90 O HETATM 2024 P AMP A 171 36.564 3.277 13.517 1.00 0.20 P HETATM 2025 O1P AMP A 171 35.057 3.401 13.643 1.00 -0.55 O HETATM 2026 O2P AMP A 171 37.220 4.152 12.481 1.00 -0.55 O HETATM 2027 O3P AMP A 171 37.124 1.871 13.603 1.00 -0.55 O HETATM 2028 O5 AMP A 171 37.079 3.879 14.908 1.00 -0.27 O HETATM 2029 C5 AMP A 171 37.018 5.273 15.193 1.00 0.11 C HETATM 2030 C4 AMP A 171 38.104 5.572 16.211 1.00 0.12 C HETATM 2031 O4 AMP A 171 37.574 5.431 17.540 1.00 -0.34 O HETATM 2032 C1 AMP A 171 38.533 4.734 18.347 1.00 0.20 C HETATM 2033 C2 AMP A 171 39.257 3.788 17.397 1.00 0.14 C HETATM 2034 C3 AMP A 171 39.266 4.579 16.095 1.00 0.11 C HETATM 2035 O3 AMP A 171 40.509 5.276 15.932 1.00 -0.39 O HETATM 2036 H5 AMP A 171 41.217 4.646 15.862 1.00 0.21 H HETATM 2037 H4 AMP A 171 39.111 3.906 15.239 1.00 0.06 H HETATM 2038 O2 AMP A 171 40.589 3.481 17.843 1.00 -0.38 O HETATM 2039 H7 AMP A 171 40.544 2.989 18.654 1.00 0.21 H HETATM 2040 H6 AMP A 171 38.696 2.849 17.280 1.00 0.07 H HETATM 2041 N9 AMP A 171 37.897 4.044 19.501 1.00 -0.19 N HETATM 2042 C8 AMP A 171 38.149 2.782 19.934 1.00 0.11 C HETATM 2043 N7 AMP A 171 37.405 2.475 21.010 1.00 -0.30 N HETATM 2044 C5 AMP A 171 36.671 3.559 21.282 1.00 0.10 C HETATM 2045 C6 AMP A 171 35.680 3.893 22.295 1.00 0.13 C HETATM 2046 N6 AMP A 171 35.373 2.946 23.229 1.00 -0.32 N HETATM 2047 H10 AMP A 171 34.676 3.150 23.959 1.00 0.18 H HETATM 2048 H11 AMP A 171 35.838 2.027 23.203 1.00 0.18 H HETATM 2049 N1 AMP A 171 35.125 5.149 22.245 1.00 -0.27 N HETATM 2050 C2 AMP A 171 35.460 6.058 21.307 1.00 0.05 C HETATM 2051 N3 AMP A 171 36.369 5.807 20.338 1.00 -0.27 N HETATM 2052 C4 AMP A 171 36.990 4.593 20.293 1.00 0.16 C HETATM 2053 H12 AMP A 171 34.981 7.030 21.331 1.00 0.10 H HETATM 2054 H9 AMP A 171 38.863 2.105 19.468 1.00 0.13 H HETATM 2055 H8 AMP A 171 39.258 5.456 18.750 1.00 0.10 H HETATM 2056 H3 AMP A 171 38.472 6.597 16.057 1.00 0.07 H HETATM 2057 H1 AMP A 171 36.032 5.530 15.608 1.00 0.06 H HETATM 2058 H2 AMP A 171 37.192 5.853 14.275 1.00 0.06 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 367 366 1248 CONECT 604 603 1411 CONECT 872 871 1645 CONECT 972 971 1070 CONECT 1070 972 1069 CONECT 1248 367 1247 CONECT 1411 604 1410 CONECT 1645 872 1644 CONECT 2024 2025 2026 2027 2028 CONECT 2025 2024 CONECT 2026 2024 CONECT 2027 2024 CONECT 2028 2024 2029 CONECT 2029 2028 2030 2057 2058 CONECT 2030 2029 2031 2034 2056 CONECT 2031 2030 2032 CONECT 2032 2031 2033 2041 2055 CONECT 2033 2032 2034 2038 2040 CONECT 2034 2030 2033 2035 2037 CONECT 2035 2034 2036 CONECT 2036 2035 CONECT 2037 2034 CONECT 2038 2033 2039 CONECT 2039 2038 CONECT 2040 2033 CONECT 2041 2032 2042 2052 CONECT 2042 2041 2043 2054 CONECT 2043 2042 2044 CONECT 2044 2043 2045 2052 CONECT 2045 2044 2046 2049 CONECT 2046 2045 2047 2048 CONECT 2047 2046 CONECT 2048 2046 CONECT 2049 2045 2050 CONECT 2050 2049 2051 2053 CONECT 2051 2050 2052 CONECT 2052 2041 2044 2051 CONECT 2053 2050 CONECT 2054 2042 CONECT 2055 2032 CONECT 2056 2030 CONECT 2057 2029 CONECT 2058 2029 MASTER 0 0 0 0 0 0 0 0 2057 1 47 10 END
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Structure:
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Protein
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PDBbind
124aa, >1AFK_1|Chains... at 99%
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104aa, >1J80_2|Chain... at 99%
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104aa, >1J81_2|Chain... at 99%
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124aa, >1JVU_1|Chains... at 99%
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RCSB PDB
PDBbind
124aa, >1O0F_1|Chains... at 99%
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RCSB PDB
PDBbind
124aa, >1O0H_1|Chains... at 99%
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RCSB PDB
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
124aa, >1RNM_1|Chain... at 99%
1rpf
RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
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PDBbind
124aa, >1W4O_1|Chains... at 99%
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PDBbind
124aa, >1W4P_1|Chains... at 99%
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RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
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RCSB PDB
PDBbind
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2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
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RCSB PDB
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124aa, >2W5I_1|Chains... at 99%
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RCSB PDB
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RCSB PDB
PDBbind
124aa, >2XOI_1|Chains... at 99%
3d6o
RCSB PDB
PDBbind
124aa, >3D6O_1|Chains... at 99%
3d6p
RCSB PDB
PDBbind
124aa, >3D6P_1|Chains... at 99%
3d6q
RCSB PDB
PDBbind
124aa, >3D6Q_1|Chains... at 99%
3d7b
RCSB PDB
PDBbind
124aa, >3D7B_1|Chains... at 99%
3d8y
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PDBbind
124aa, >3D8Y_1|Chains... at 99%
3d8z
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124aa, >3D8Z_1|Chains... at 99%
3dxg
RCSB PDB
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124aa, >3DXG_1|Chains... at 99%
3dxh
RCSB PDB
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124aa, >3DXH_1|Chains... at 99%
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124aa, >3LXO_1|Chain... at 99%
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PDBbind
124aa, >4G8V_1|Chains... at 99%
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PDBbind
124aa, >4G8Y_1|Chains... at 99%
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124aa, >6RSA_1|Chain... at 99%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fpi
RCSB PDB
PDBbind
AMP
1fta
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PDBbind
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1pyg
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1ua4
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2gmk
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2gsu
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PDBbind
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2q8m
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AMP
2qrk
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PDBbind
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2vfk
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PDBbind
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RCSB PDB
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4g0y
RCSB PDB
PDBbind
AMP
4lqy
RCSB PDB
PDBbind
AMP
4ozl
RCSB PDB
PDBbind
AMP
4qfg
RCSB PDB
PDBbind
AMP
4wyp
RCSB PDB
PDBbind
AMP
4zmf
RCSB PDB
PDBbind
AMP
5f74
RCSB PDB
PDBbind
AMP
5klz
RCSB PDB
PDBbind
AMP
5o3r
RCSB PDB
PDBbind
AMP
5ofu
RCSB PDB
PDBbind
AMP
5yz2
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PDBbind
AMP
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PDBbind
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RCSB PDB
PDBbind
AMP
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RCSB PDB
PDBbind
AMP
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
AMP
Entry Information
PDB ID
1z6s
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease a
Ligand Name
AMP
EC.Number
E.C.3.1.27.5
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Ki=46uM
Release Year
2005
Protein/NA Sequence
Check fasta file
Primary Reference
Febs J. v272 pp. 3988-4001, 2005
Ligand Properties
Formula
C
1
0
H
1
5
N
5
O
7
P
Molecular Weight
348.229
Exact Mass
348.071
No. of atoms
38
No. of bonds
40
Polar Surface Area
202.82
LOGP Value
-3.71 (
Computed with XLOGP3
)
-1.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(O)(O)O
InChI String
InChI=1S/C10H16N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-20,23H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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