Browse entries in the PDBbind-CN Database
HEADER 1O0N_COMPLEX COMPND 1O0N_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HET U A 3P 32 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 ATOM 1 N LYS A 1 36.030 20.351 8.678 1.00 34.45 N ATOM 2 CA LYS A 1 35.055 20.529 9.792 1.00 32.97 C ATOM 3 C LYS A 1 34.083 19.358 9.888 1.00 31.22 C ATOM 4 O LYS A 1 32.863 19.541 9.947 1.00 30.78 O ATOM 5 CB LYS A 1 34.293 21.844 9.607 1.00 34.73 C ATOM 6 CG LYS A 1 35.093 23.067 10.037 1.00 37.28 C ATOM 7 CD LYS A 1 34.709 24.298 9.239 1.00 38.41 C ATOM 8 CE LYS A 1 35.782 24.635 8.209 1.00 39.97 C ATOM 9 NZ LYS A 1 36.132 23.471 7.347 1.00 40.09 N ATOM 10 HA LYS A 1 35.614 20.562 10.727 1.00 0.00 H ATOM 11 HB2 LYS A 1 34.036 21.951 8.553 1.00 0.00 H ATOM 12 HB3 LYS A 1 33.379 21.802 10.200 1.00 0.00 H ATOM 13 HG2 LYS A 1 34.906 23.258 11.094 1.00 0.00 H ATOM 14 HG3 LYS A 1 36.154 22.866 9.888 1.00 0.00 H ATOM 15 HD2 LYS A 1 33.766 24.111 8.725 1.00 0.00 H ATOM 16 HD3 LYS A 1 34.589 25.141 9.919 1.00 0.00 H ATOM 17 HE2 LYS A 1 36.679 24.964 8.733 1.00 0.00 H ATOM 18 HE3 LYS A 1 35.417 25.443 7.575 1.00 0.00 H ATOM 19 HZ1 LYS A 1 36.490 22.696 7.941 1.00 0.00 H ATOM 20 HZ2 LYS A 1 35.284 23.153 6.835 1.00 0.00 H ATOM 21 HZ3 LYS A 1 36.865 23.754 6.665 1.00 0.00 H ATOM 22 HN3 LYS A 1 35.516 20.279 7.777 1.00 0.00 H ATOM 23 HN2 LYS A 1 36.580 19.482 8.835 1.00 0.00 H ATOM 24 HN1 LYS A 1 36.672 21.168 8.647 1.00 0.00 H ATOM 25 N GLU A 2 34.643 18.152 9.898 1.00 28.32 N ATOM 26 CA GLU A 2 33.861 16.926 10.002 1.00 26.34 C ATOM 27 C GLU A 2 33.921 16.422 11.440 1.00 23.95 C ATOM 28 O GLU A 2 34.998 16.148 11.967 1.00 23.12 O ATOM 29 CB GLU A 2 34.417 15.849 9.064 1.00 26.36 C ATOM 30 CG GLU A 2 33.698 14.509 9.185 1.00 25.50 C ATOM 31 CD GLU A 2 34.309 13.415 8.321 1.00 25.56 C ATOM 32 OE1 GLU A 2 35.500 13.092 8.507 1.00 23.53 O ATOM 33 OE2 GLU A 2 33.588 12.871 7.458 1.00 25.07 O ATOM 34 HA GLU A 2 32.830 17.137 9.717 1.00 0.00 H ATOM 35 HB2 GLU A 2 34.320 16.202 8.037 1.00 0.00 H ATOM 36 HB3 GLU A 2 35.471 15.698 9.297 1.00 0.00 H ATOM 37 HG2 GLU A 2 33.736 14.189 10.226 1.00 0.00 H ATOM 38 HG3 GLU A 2 32.659 14.646 8.886 1.00 0.00 H ATOM 39 H GLU A 2 35.678 18.081 9.829 1.00 0.00 H ATOM 40 N THR A 3 32.758 16.305 12.068 1.00 22.96 N ATOM 41 CA THR A 3 32.672 15.833 13.444 1.00 21.09 C ATOM 42 C THR A 3 32.908 14.327 13.498 1.00 20.61 C ATOM 43 O THR A 3 32.908 13.656 12.465 1.00 18.77 O ATOM 44 CB THR A 3 31.286 16.130 14.038 1.00 21.54 C ATOM 45 OG1 THR A 3 30.288 15.420 13.294 1.00 21.36 O ATOM 46 CG2 THR A 3 30.988 17.623 13.979 1.00 22.26 C ATOM 47 HA THR A 3 33.435 16.354 14.023 1.00 0.00 H ATOM 48 HB THR A 3 31.275 15.809 15.080 1.00 0.00 H ATOM 49 HG1 THR A 3 29.395 15.611 13.676 1.00 0.00 H ATOM 50 HG23 THR A 3 31.746 18.166 14.544 1.00 0.00 H ATOM 51 HG21 THR A 3 31.001 17.954 12.941 1.00 0.00 H ATOM 52 HG22 THR A 3 30.005 17.813 14.410 1.00 0.00 H ATOM 53 H THR A 3 31.884 16.557 11.564 1.00 0.00 H ATOM 54 N ALA A 4 33.116 13.802 14.702 1.00 18.38 N ATOM 55 CA ALA A 4 33.332 12.370 14.875 1.00 16.49 C ATOM 56 C ALA A 4 32.072 11.633 14.440 1.00 16.02 C ATOM 57 O ALA A 4 32.142 10.542 13.872 1.00 16.58 O ATOM 58 CB ALA A 4 33.645 12.055 16.333 1.00 14.46 C ATOM 59 HA ALA A 4 34.179 12.050 14.268 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.546 12.590 16.634 1.00 0.00 H ATOM 61 HB2 ALA A 4 32.809 12.368 16.959 1.00 0.00 H ATOM 62 HB3 ALA A 4 33.804 10.983 16.446 1.00 0.00 H ATOM 63 H ALA A 4 33.125 14.424 15.535 1.00 0.00 H ATOM 64 N ALA A 5 30.917 12.234 14.713 1.00 15.24 N ATOM 65 CA ALA A 5 29.645 11.629 14.337 1.00 14.28 C ATOM 66 C ALA A 5 29.541 11.557 12.818 1.00 13.94 C ATOM 67 O ALA A 5 29.107 10.548 12.265 1.00 14.33 O ATOM 68 CB ALA A 5 28.478 12.443 14.908 1.00 14.93 C ATOM 69 HA ALA A 5 29.597 10.621 14.748 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.552 12.469 15.995 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.519 13.459 14.515 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.536 11.978 14.618 1.00 0.00 H ATOM 73 H ALA A 5 30.922 13.151 15.203 1.00 0.00 H ATOM 74 N ALA A 6 29.936 12.636 12.148 1.00 15.25 N ATOM 75 CA ALA A 6 29.884 12.683 10.690 1.00 15.30 C ATOM 76 C ALA A 6 30.846 11.663 10.094 1.00 15.34 C ATOM 77 O ALA A 6 30.537 11.016 9.089 1.00 14.86 O ATOM 78 CB ALA A 6 30.237 14.086 10.200 1.00 17.29 C ATOM 79 HA ALA A 6 28.872 12.439 10.367 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.524 14.802 10.608 1.00 0.00 H ATOM 81 HB2 ALA A 6 31.243 14.343 10.532 1.00 0.00 H ATOM 82 HB3 ALA A 6 30.195 14.110 9.111 1.00 0.00 H ATOM 83 H ALA A 6 30.289 13.462 12.673 1.00 0.00 H ATOM 84 N LYS A 7 32.016 11.530 10.713 1.00 14.57 N ATOM 85 CA LYS A 7 33.019 10.582 10.253 1.00 14.51 C ATOM 86 C LYS A 7 32.463 9.164 10.332 1.00 14.67 C ATOM 87 O LYS A 7 32.654 8.366 9.415 1.00 14.70 O ATOM 88 CB LYS A 7 34.289 10.698 11.098 1.00 16.46 C ATOM 89 CG LYS A 7 35.392 9.741 10.683 1.00 17.80 C ATOM 90 CD LYS A 7 36.697 10.057 11.396 1.00 21.29 C ATOM 91 CE LYS A 7 37.776 9.057 11.015 1.00 22.72 C ATOM 92 NZ LYS A 7 39.094 9.397 11.617 1.00 25.33 N ATOM 93 HA LYS A 7 33.271 10.810 9.217 1.00 0.00 H ATOM 94 HB2 LYS A 7 34.667 11.717 11.012 1.00 0.00 H ATOM 95 HB3 LYS A 7 34.030 10.494 12.137 1.00 0.00 H ATOM 96 HG2 LYS A 7 35.090 8.723 10.929 1.00 0.00 H ATOM 97 HG3 LYS A 7 35.546 9.822 9.607 1.00 0.00 H ATOM 98 HD2 LYS A 7 37.023 11.059 11.117 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.535 10.016 12.473 1.00 0.00 H ATOM 100 HE2 LYS A 7 37.878 9.046 9.930 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.476 8.068 11.361 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.392 10.337 11.287 1.00 0.00 H ATOM 103 HZ2 LYS A 7 39.009 9.403 12.654 1.00 0.00 H ATOM 104 HZ3 LYS A 7 39.798 8.688 11.330 1.00 0.00 H ATOM 105 H LYS A 7 32.219 12.118 11.546 1.00 0.00 H ATOM 106 N PHE A 8 31.770 8.853 11.426 1.00 13.80 N ATOM 107 CA PHE A 8 31.187 7.526 11.580 1.00 13.49 C ATOM 108 C PHE A 8 30.170 7.284 10.469 1.00 13.91 C ATOM 109 O PHE A 8 30.086 6.181 9.925 1.00 13.77 O ATOM 110 CB PHE A 8 30.523 7.374 12.957 1.00 11.26 C ATOM 111 CG PHE A 8 29.774 6.079 13.125 1.00 10.41 C ATOM 112 CD1 PHE A 8 28.476 5.945 12.649 1.00 12.13 C ATOM 113 CD2 PHE A 8 30.390 4.973 13.712 1.00 10.23 C ATOM 114 CE1 PHE A 8 27.796 4.736 12.747 1.00 10.69 C ATOM 115 CE2 PHE A 8 29.715 3.758 13.814 1.00 12.03 C ATOM 116 CZ PHE A 8 28.418 3.638 13.331 1.00 11.25 C ATOM 117 HA PHE A 8 31.982 6.784 11.509 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.298 7.426 13.721 1.00 0.00 H ATOM 119 HB3 PHE A 8 29.823 8.198 13.095 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.407 5.060 14.094 1.00 0.00 H ATOM 121 HE2 PHE A 8 30.206 2.900 14.274 1.00 0.00 H ATOM 122 HZ PHE A 8 27.890 2.687 13.409 1.00 0.00 H ATOM 123 HE1 PHE A 8 26.778 4.649 12.367 1.00 0.00 H ATOM 124 HD1 PHE A 8 27.982 6.802 12.191 1.00 0.00 H ATOM 125 H PHE A 8 31.644 9.562 12.176 1.00 0.00 H ATOM 126 N GLU A 9 29.395 8.310 10.130 1.00 13.45 N ATOM 127 CA GLU A 9 28.410 8.166 9.068 1.00 13.78 C ATOM 128 C GLU A 9 29.090 7.949 7.719 1.00 13.20 C ATOM 129 O GLU A 9 28.633 7.137 6.913 1.00 13.32 O ATOM 130 CB GLU A 9 27.493 9.394 9.009 1.00 14.48 C ATOM 131 CG GLU A 9 26.519 9.469 10.177 1.00 15.95 C ATOM 132 CD GLU A 9 25.521 10.598 10.050 1.00 18.50 C ATOM 133 OE1 GLU A 9 24.936 10.762 8.958 1.00 19.92 O ATOM 134 OE2 GLU A 9 25.305 11.311 11.052 1.00 18.32 O ATOM 135 HA GLU A 9 27.803 7.289 9.291 1.00 0.00 H ATOM 136 HB2 GLU A 9 28.113 10.291 9.016 1.00 0.00 H ATOM 137 HB3 GLU A 9 26.921 9.356 8.082 1.00 0.00 H ATOM 138 HG2 GLU A 9 25.972 8.528 10.233 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.089 9.612 11.095 1.00 0.00 H ATOM 140 H GLU A 9 29.493 9.219 10.626 1.00 0.00 H ATOM 141 N ARG A 10 30.195 8.653 7.482 1.00 12.83 N ATOM 142 CA ARG A 10 30.918 8.509 6.218 1.00 13.50 C ATOM 143 C ARG A 10 31.588 7.143 6.088 1.00 13.64 C ATOM 144 O ARG A 10 31.567 6.528 5.023 1.00 14.96 O ATOM 145 CB ARG A 10 31.978 9.610 6.079 1.00 13.65 C ATOM 146 CG ARG A 10 32.846 9.481 4.825 1.00 15.70 C ATOM 147 CD ARG A 10 33.745 10.688 4.649 1.00 17.61 C ATOM 148 NE ARG A 10 34.628 10.895 5.791 1.00 18.00 N ATOM 149 CZ ARG A 10 35.718 10.179 6.048 1.00 18.87 C ATOM 150 NH1 ARG A 10 36.083 9.193 5.237 1.00 19.53 N ATOM 151 NH2 ARG A 10 36.447 10.453 7.122 1.00 22.02 N ATOM 152 HA ARG A 10 30.181 8.600 5.420 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.470 10.574 6.047 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.629 9.572 6.953 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.464 8.587 4.911 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.199 9.390 3.953 1.00 0.00 H ATOM 157 HD2 ARG A 10 33.122 11.573 4.523 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.354 10.544 3.757 1.00 0.00 H ATOM 159 HE ARG A 10 34.387 11.660 6.454 1.00 0.00 H ATOM 160 HH12 ARG A 10 36.937 8.638 5.445 1.00 0.00 H ATOM 161 HH11 ARG A 10 35.515 8.976 4.393 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.301 9.895 7.327 1.00 0.00 H ATOM 163 HH21 ARG A 10 36.165 11.225 7.759 1.00 0.00 H ATOM 164 H ARG A 10 30.548 9.313 8.204 1.00 0.00 H ATOM 165 N GLN A 11 32.175 6.662 7.177 1.00 13.46 N ATOM 166 CA GLN A 11 32.871 5.382 7.154 1.00 13.63 C ATOM 167 C GLN A 11 32.008 4.141 7.331 1.00 12.31 C ATOM 168 O GLN A 11 32.325 3.088 6.782 1.00 14.71 O ATOM 169 CB GLN A 11 33.951 5.354 8.239 1.00 15.76 C ATOM 170 CG GLN A 11 35.063 6.366 8.047 1.00 18.53 C ATOM 171 CD GLN A 11 36.145 6.264 9.108 1.00 22.68 C ATOM 172 OE1 GLN A 11 37.243 6.795 8.936 1.00 26.20 O ATOM 173 NE2 GLN A 11 35.840 5.593 10.212 1.00 21.31 N ATOM 174 HA GLN A 11 33.278 5.328 6.144 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.474 5.550 9.199 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.395 4.359 8.252 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.517 6.203 7.070 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.633 7.367 8.084 1.00 0.00 H ATOM 179 HE22 GLN A 11 34.900 5.160 10.315 1.00 0.00 H ATOM 180 HE21 GLN A 11 36.541 5.500 10.974 1.00 0.00 H ATOM 181 H GLN A 11 32.138 7.208 8.061 1.00 0.00 H ATOM 182 N HIS A 12 30.913 4.258 8.079 1.00 12.83 N ATOM 183 CA HIS A 12 30.107 3.078 8.375 1.00 11.15 C ATOM 184 C HIS A 12 28.630 3.026 8.016 1.00 11.91 C ATOM 185 O HIS A 12 27.990 1.998 8.235 1.00 13.37 O ATOM 186 CB HIS A 12 30.256 2.772 9.863 1.00 12.09 C ATOM 187 CG HIS A 12 31.680 2.620 10.298 1.00 11.22 C ATOM 188 ND1 HIS A 12 32.473 1.573 9.886 1.00 10.42 N ATOM 189 CD2 HIS A 12 32.461 3.395 11.088 1.00 11.32 C ATOM 190 CE1 HIS A 12 33.681 1.707 10.403 1.00 12.39 C ATOM 191 NE2 HIS A 12 33.700 2.805 11.137 1.00 11.90 N ATOM 192 HA HIS A 12 30.520 2.341 7.686 1.00 0.00 H ATOM 193 HB2 HIS A 12 29.806 3.587 10.430 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.727 1.844 10.080 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.162 4.315 11.591 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.519 1.027 10.250 1.00 0.00 H ATOM 197 H HIS A 12 30.633 5.188 8.451 1.00 0.00 H ATOM 198 N MET A 13 28.076 4.102 7.475 1.00 12.21 N ATOM 199 CA MET A 13 26.661 4.080 7.128 1.00 12.57 C ATOM 200 C MET A 13 26.372 4.032 5.628 1.00 12.85 C ATOM 201 O MET A 13 26.949 4.781 4.849 1.00 15.29 O ATOM 202 CB MET A 13 25.949 5.304 7.718 1.00 12.46 C ATOM 203 CG MET A 13 25.858 5.343 9.242 1.00 13.06 C ATOM 204 SD MET A 13 24.874 3.997 9.972 1.00 13.54 S ATOM 205 CE MET A 13 23.267 4.266 9.214 1.00 13.10 C ATOM 206 HA MET A 13 26.283 3.151 7.554 1.00 0.00 H ATOM 207 HB2 MET A 13 26.486 6.195 7.391 1.00 0.00 H ATOM 208 HB3 MET A 13 24.934 5.326 7.320 1.00 0.00 H ATOM 209 HG2 MET A 13 25.407 6.292 9.533 1.00 0.00 H ATOM 210 HG3 MET A 13 26.869 5.284 9.646 1.00 0.00 H ATOM 211 HE1 MET A 13 22.902 5.258 9.481 1.00 0.00 H ATOM 212 HE2 MET A 13 23.361 4.191 8.131 1.00 0.00 H ATOM 213 HE3 MET A 13 22.567 3.512 9.573 1.00 0.00 H ATOM 214 H MET A 13 28.646 4.954 7.300 1.00 0.00 H ATOM 215 N ASP A 14 25.477 3.133 5.236 1.00 13.85 N ATOM 216 CA ASP A 14 25.041 3.027 3.849 1.00 14.83 C ATOM 217 C ASP A 14 23.635 2.453 3.866 1.00 13.20 C ATOM 218 O ASP A 14 23.406 1.290 3.526 1.00 15.03 O ATOM 219 CB ASP A 14 25.948 2.140 3.003 1.00 16.18 C ATOM 220 CG ASP A 14 25.523 2.131 1.546 1.00 17.62 C ATOM 221 OD1 ASP A 14 24.916 3.139 1.123 1.00 19.34 O ATOM 222 OD2 ASP A 14 25.788 1.145 0.831 1.00 19.67 O ATOM 223 HA ASP A 14 25.077 4.017 3.394 1.00 0.00 H ATOM 224 HB2 ASP A 14 26.970 2.512 3.071 1.00 0.00 H ATOM 225 HB3 ASP A 14 25.907 1.122 3.390 1.00 0.00 H ATOM 226 H ASP A 14 25.074 2.483 5.941 1.00 0.00 H ATOM 227 N SER A 15 22.696 3.292 4.283 1.00 15.94 N ATOM 228 CA SER A 15 21.299 2.906 4.390 1.00 19.84 C ATOM 229 C SER A 15 20.643 2.646 3.038 1.00 23.13 C ATOM 230 O SER A 15 19.868 1.697 2.892 1.00 26.84 O ATOM 231 CB SER A 15 20.528 4.000 5.129 1.00 18.46 C ATOM 232 OG SER A 15 21.132 4.286 6.378 1.00 17.67 O ATOM 233 HA SER A 15 21.268 1.967 4.942 1.00 0.00 H ATOM 234 HB2 SER A 15 19.504 3.666 5.295 1.00 0.00 H ATOM 235 HB3 SER A 15 20.519 4.904 4.521 1.00 0.00 H ATOM 236 HG SER A 15 21.138 3.468 6.935 1.00 0.00 H ATOM 237 H SER A 15 22.969 4.261 4.543 1.00 0.00 H ATOM 238 N SER A 16 20.963 3.493 2.063 1.00 26.91 N ATOM 239 CA SER A 16 20.416 3.410 0.706 1.00 32.10 C ATOM 240 C SER A 16 20.059 2.006 0.242 1.00 34.94 C ATOM 241 O SER A 16 18.883 1.661 0.109 1.00 37.39 O ATOM 242 CB SER A 16 21.398 4.015 -0.302 1.00 31.63 C ATOM 243 OG SER A 16 21.611 5.392 -0.060 1.00 32.18 O ATOM 244 HA SER A 16 19.484 3.973 0.750 1.00 0.00 H ATOM 245 HB2 SER A 16 20.995 3.890 -1.307 1.00 0.00 H ATOM 246 HB3 SER A 16 22.351 3.491 -0.226 1.00 0.00 H ATOM 247 HG SER A 16 21.983 5.512 0.850 1.00 0.00 H ATOM 248 H SER A 16 21.638 4.255 2.275 1.00 0.00 H ATOM 249 N THR A 17 21.083 1.202 -0.014 1.00 37.28 N ATOM 250 CA THR A 17 20.882 -0.158 -0.485 1.00 39.09 C ATOM 251 C THR A 17 20.363 -1.109 0.585 1.00 40.42 C ATOM 252 O THR A 17 20.860 -1.129 1.713 1.00 40.41 O ATOM 253 CB THR A 17 22.188 -0.745 -1.050 1.00 39.32 C ATOM 254 OG1 THR A 17 21.985 -2.125 -1.382 1.00 39.48 O ATOM 255 CG2 THR A 17 23.315 -0.628 -0.028 1.00 37.66 C ATOM 256 HA THR A 17 20.122 -0.076 -1.262 1.00 0.00 H ATOM 257 HB THR A 17 22.467 -0.186 -1.943 1.00 0.00 H ATOM 258 HG1 THR A 17 22.825 -2.503 -1.745 1.00 0.00 H ATOM 259 HG23 THR A 17 23.468 0.421 0.223 1.00 0.00 H ATOM 260 HG21 THR A 17 23.047 -1.183 0.871 1.00 0.00 H ATOM 261 HG22 THR A 17 24.232 -1.039 -0.451 1.00 0.00 H ATOM 262 H THR A 17 22.052 1.553 0.126 1.00 0.00 H ATOM 263 N SER A 18 19.352 -1.892 0.220 1.00 41.45 N ATOM 264 CA SER A 18 18.781 -2.875 1.129 1.00 41.76 C ATOM 265 C SER A 18 19.711 -4.076 1.055 1.00 41.23 C ATOM 266 O SER A 18 19.272 -5.225 1.013 1.00 42.52 O ATOM 267 CB SER A 18 17.371 -3.277 0.688 1.00 41.15 C ATOM 268 OG SER A 18 16.468 -2.191 0.792 1.00 42.72 O ATOM 269 HA SER A 18 18.694 -2.478 2.141 1.00 0.00 H ATOM 270 HB2 SER A 18 17.020 -4.092 1.321 1.00 0.00 H ATOM 271 HB3 SER A 18 17.405 -3.612 -0.349 1.00 0.00 H ATOM 272 HG SER A 18 16.428 -1.885 1.733 1.00 0.00 H ATOM 273 H SER A 18 18.960 -1.800 -0.739 1.00 0.00 H ATOM 274 N ALA A 19 21.007 -3.780 1.038 1.00 40.13 N ATOM 275 CA ALA A 19 22.057 -4.783 0.959 1.00 37.83 C ATOM 276 C ALA A 19 21.877 -5.778 -0.174 1.00 36.10 C ATOM 277 O ALA A 19 21.081 -6.713 -0.089 1.00 34.77 O ATOM 278 CB ALA A 19 22.187 -5.526 2.269 1.00 39.13 C ATOM 279 HA ALA A 19 22.972 -4.229 0.747 1.00 0.00 H ATOM 280 HB1 ALA A 19 22.432 -4.820 3.063 1.00 0.00 H ATOM 281 HB2 ALA A 19 21.244 -6.021 2.500 1.00 0.00 H ATOM 282 HB3 ALA A 19 22.978 -6.271 2.186 1.00 0.00 H ATOM 283 H ALA A 19 21.284 -2.779 1.084 1.00 0.00 H ATOM 284 N ALA A 20 22.635 -5.557 -1.237 1.00 33.29 N ATOM 285 CA ALA A 20 22.638 -6.421 -2.404 1.00 31.11 C ATOM 286 C ALA A 20 24.048 -6.231 -2.937 1.00 29.09 C ATOM 287 O ALA A 20 24.344 -6.498 -4.100 1.00 30.10 O ATOM 288 CB ALA A 20 21.607 -5.955 -3.414 1.00 31.20 C ATOM 289 HA ALA A 20 22.389 -7.460 -2.189 1.00 0.00 H ATOM 290 HB1 ALA A 20 20.617 -5.979 -2.958 1.00 0.00 H ATOM 291 HB2 ALA A 20 21.840 -4.937 -3.726 1.00 0.00 H ATOM 292 HB3 ALA A 20 21.625 -6.615 -4.281 1.00 0.00 H ATOM 293 H ALA A 20 23.258 -4.724 -1.236 1.00 0.00 H ATOM 294 N SER A 21 24.903 -5.753 -2.036 1.00 27.13 N ATOM 295 CA SER A 21 26.306 -5.473 -2.305 1.00 24.45 C ATOM 296 C SER A 21 26.932 -6.482 -3.244 1.00 23.92 C ATOM 297 O SER A 21 27.079 -7.656 -2.899 1.00 24.54 O ATOM 298 CB SER A 21 27.091 -5.453 -0.993 1.00 24.40 C ATOM 299 OG SER A 21 26.501 -4.559 -0.069 1.00 22.21 O ATOM 300 HA SER A 21 26.348 -4.499 -2.792 1.00 0.00 H ATOM 301 HB2 SER A 21 28.115 -5.137 -1.193 1.00 0.00 H ATOM 302 HB3 SER A 21 27.099 -6.456 -0.566 1.00 0.00 H ATOM 303 HG SER A 21 25.572 -4.845 0.118 1.00 0.00 H ATOM 304 H SER A 21 24.545 -5.567 -1.077 1.00 0.00 H ATOM 305 N SER A 22 27.299 -6.021 -4.434 1.00 22.97 N ATOM 306 CA SER A 22 27.925 -6.890 -5.418 1.00 22.25 C ATOM 307 C SER A 22 29.355 -7.163 -4.984 1.00 21.88 C ATOM 308 O SER A 22 29.842 -6.594 -4.005 1.00 21.56 O ATOM 309 CB SER A 22 27.945 -6.222 -6.792 1.00 20.96 C ATOM 310 OG SER A 22 28.851 -5.130 -6.809 1.00 21.52 O ATOM 311 HA SER A 22 27.357 -7.818 -5.486 1.00 0.00 H ATOM 312 HB2 SER A 22 26.944 -5.860 -7.028 1.00 0.00 H ATOM 313 HB3 SER A 22 28.252 -6.953 -7.540 1.00 0.00 H ATOM 314 HG SER A 22 28.847 -4.714 -7.707 1.00 0.00 H ATOM 315 H SER A 22 27.136 -5.021 -4.667 1.00 0.00 H ATOM 316 N SER A 23 30.032 -8.032 -5.720 1.00 21.85 N ATOM 317 CA SER A 23 31.410 -8.357 -5.402 1.00 22.05 C ATOM 318 C SER A 23 32.311 -7.144 -5.626 1.00 21.34 C ATOM 319 O SER A 23 33.472 -7.143 -5.224 1.00 24.44 O ATOM 320 CB SER A 23 31.877 -9.548 -6.246 1.00 22.31 C ATOM 321 OG SER A 23 31.506 -9.395 -7.604 1.00 20.78 O ATOM 322 HA SER A 23 31.473 -8.634 -4.350 1.00 0.00 H ATOM 323 HB2 SER A 23 31.425 -10.459 -5.855 1.00 0.00 H ATOM 324 HB3 SER A 23 32.962 -9.625 -6.181 1.00 0.00 H ATOM 325 HG SER A 23 31.918 -8.571 -7.967 1.00 0.00 H ATOM 326 H SER A 23 29.571 -8.486 -6.534 1.00 0.00 H ATOM 327 N ASN A 24 31.768 -6.104 -6.254 1.00 22.12 N ATOM 328 CA ASN A 24 32.526 -4.881 -6.519 1.00 22.24 C ATOM 329 C ASN A 24 32.226 -3.791 -5.488 1.00 21.45 C ATOM 330 O ASN A 24 32.938 -2.790 -5.410 1.00 21.05 O ATOM 331 CB ASN A 24 32.191 -4.330 -7.911 1.00 25.77 C ATOM 332 CG ASN A 24 32.474 -5.322 -9.021 1.00 27.26 C ATOM 333 OD1 ASN A 24 33.599 -5.793 -9.179 1.00 31.06 O ATOM 334 ND2 ASN A 24 31.448 -5.638 -9.805 1.00 30.49 N ATOM 335 HA ASN A 24 33.581 -5.148 -6.460 1.00 0.00 H ATOM 336 HB2 ASN A 24 31.133 -4.071 -7.937 1.00 0.00 H ATOM 337 HB3 ASN A 24 32.788 -3.434 -8.084 1.00 0.00 H ATOM 338 HD22 ASN A 24 30.513 -5.215 -9.634 1.00 0.00 H ATOM 339 HD21 ASN A 24 31.580 -6.308 -10.589 1.00 0.00 H ATOM 340 H ASN A 24 30.777 -6.162 -6.565 1.00 0.00 H ATOM 341 N TYR A 25 31.170 -3.993 -4.706 1.00 20.20 N ATOM 342 CA TYR A 25 30.739 -3.026 -3.699 1.00 17.78 C ATOM 343 C TYR A 25 31.848 -2.400 -2.854 1.00 16.96 C ATOM 344 O TYR A 25 31.990 -1.179 -2.815 1.00 17.23 O ATOM 345 CB TYR A 25 29.704 -3.671 -2.774 1.00 17.92 C ATOM 346 CG TYR A 25 29.195 -2.762 -1.673 1.00 17.00 C ATOM 347 CD1 TYR A 25 28.183 -1.830 -1.915 1.00 15.54 C ATOM 348 CD2 TYR A 25 29.718 -2.844 -0.384 1.00 16.73 C ATOM 349 CE1 TYR A 25 27.702 -1.005 -0.893 1.00 16.83 C ATOM 350 CE2 TYR A 25 29.249 -2.024 0.640 1.00 17.05 C ATOM 351 CZ TYR A 25 28.243 -1.110 0.382 1.00 16.91 C ATOM 352 OH TYR A 25 27.781 -0.305 1.400 1.00 17.13 O ATOM 353 HA TYR A 25 30.317 -2.201 -4.272 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.159 -4.546 -2.311 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.853 -3.983 -3.379 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.509 -3.563 -0.173 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.673 -2.102 1.641 1.00 0.00 H ATOM 358 HE1 TYR A 25 26.909 -0.285 -1.096 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.761 -1.744 -2.916 1.00 0.00 H ATOM 360 HH TYR A 25 27.068 0.287 1.053 1.00 0.00 H ATOM 361 H TYR A 25 30.629 -4.875 -4.815 1.00 0.00 H ATOM 362 N CYS A 26 32.633 -3.225 -2.174 1.00 15.92 N ATOM 363 CA CYS A 26 33.694 -2.690 -1.329 1.00 15.96 C ATOM 364 C CYS A 26 34.769 -1.944 -2.098 1.00 16.93 C ATOM 365 O CYS A 26 35.264 -0.918 -1.634 1.00 18.07 O ATOM 366 CB CYS A 26 34.327 -3.803 -0.505 1.00 15.21 C ATOM 367 SG CYS A 26 33.277 -4.405 0.856 1.00 14.62 S ATOM 368 HA CYS A 26 33.217 -1.961 -0.674 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.258 -3.428 -0.080 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.543 -4.641 -1.168 1.00 0.00 H ATOM 371 H CYS A 26 32.492 -4.253 -2.243 1.00 0.00 H ATOM 372 N ASN A 27 35.137 -2.442 -3.273 1.00 17.69 N ATOM 373 CA ASN A 27 36.157 -1.753 -4.051 1.00 19.52 C ATOM 374 C ASN A 27 35.689 -0.343 -4.384 1.00 19.90 C ATOM 375 O ASN A 27 36.464 0.610 -4.320 1.00 21.58 O ATOM 376 CB ASN A 27 36.467 -2.513 -5.344 1.00 18.64 C ATOM 377 CG ASN A 27 37.126 -3.850 -5.087 1.00 20.02 C ATOM 378 OD1 ASN A 27 37.925 -3.992 -4.161 1.00 20.89 O ATOM 379 ND2 ASN A 27 36.809 -4.838 -5.917 1.00 21.40 N ATOM 380 HA ASN A 27 37.067 -1.704 -3.453 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.535 -2.681 -5.883 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.135 -1.906 -5.955 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.129 -4.673 -6.686 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.241 -5.776 -5.798 1.00 0.00 H ATOM 385 H ASN A 27 34.701 -3.315 -3.634 1.00 0.00 H ATOM 386 N GLN A 28 34.411 -0.211 -4.723 1.00 20.75 N ATOM 387 CA GLN A 28 33.848 1.085 -5.070 1.00 22.79 C ATOM 388 C GLN A 28 33.586 1.959 -3.844 1.00 22.57 C ATOM 389 O GLN A 28 33.966 3.130 -3.816 1.00 22.36 O ATOM 390 CB GLN A 28 32.555 0.883 -5.863 1.00 25.71 C ATOM 391 CG GLN A 28 32.763 0.089 -7.146 1.00 31.98 C ATOM 392 CD GLN A 28 31.477 -0.151 -7.914 1.00 34.56 C ATOM 393 OE1 GLN A 28 30.527 -0.734 -7.391 1.00 37.72 O ATOM 394 NE2 GLN A 28 31.443 0.295 -9.165 1.00 37.32 N ATOM 395 HA GLN A 28 34.583 1.611 -5.680 1.00 0.00 H ATOM 396 HB2 GLN A 28 31.842 0.349 -5.235 1.00 0.00 H ATOM 397 HB3 GLN A 28 32.149 1.861 -6.121 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.452 0.639 -7.787 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.199 -0.876 -6.890 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.270 0.782 -9.566 1.00 0.00 H ATOM 401 HE21 GLN A 28 30.590 0.157 -9.743 1.00 0.00 H ATOM 402 H GLN A 28 33.800 -1.052 -4.741 1.00 0.00 H ATOM 403 N MET A 29 32.954 1.376 -2.830 1.00 21.88 N ATOM 404 CA MET A 29 32.620 2.093 -1.601 1.00 21.52 C ATOM 405 C MET A 29 33.796 2.574 -0.761 1.00 20.36 C ATOM 406 O MET A 29 33.780 3.698 -0.262 1.00 21.00 O ATOM 407 CB MET A 29 31.711 1.230 -0.730 1.00 20.94 C ATOM 408 CG MET A 29 30.280 1.177 -1.213 1.00 22.57 C ATOM 409 SD MET A 29 29.475 2.785 -1.092 1.00 26.14 S ATOM 410 CE MET A 29 29.081 2.828 0.640 1.00 24.56 C ATOM 411 HA MET A 29 32.124 3.000 -1.946 1.00 0.00 H ATOM 412 HB2 MET A 29 32.108 0.215 -0.717 1.00 0.00 H ATOM 413 HB3 MET A 29 31.718 1.634 0.282 1.00 0.00 H ATOM 414 HG2 MET A 29 29.728 0.459 -0.606 1.00 0.00 H ATOM 415 HG3 MET A 29 30.270 0.854 -2.254 1.00 0.00 H ATOM 416 HE1 MET A 29 28.426 1.991 0.883 1.00 0.00 H ATOM 417 HE2 MET A 29 29.999 2.753 1.222 1.00 0.00 H ATOM 418 HE3 MET A 29 28.577 3.766 0.873 1.00 0.00 H ATOM 419 H MET A 29 32.688 0.374 -2.914 1.00 0.00 H ATOM 420 N MET A 30 34.805 1.727 -0.582 1.00 19.56 N ATOM 421 CA MET A 30 35.967 2.118 0.208 1.00 19.60 C ATOM 422 C MET A 30 36.639 3.327 -0.432 1.00 20.30 C ATOM 423 O MET A 30 37.209 4.170 0.255 1.00 21.39 O ATOM 424 CB MET A 30 36.959 0.958 0.313 1.00 17.26 C ATOM 425 CG MET A 30 36.442 -0.225 1.124 1.00 14.24 C ATOM 426 SD MET A 30 36.137 0.188 2.862 1.00 15.10 S ATOM 427 CE MET A 30 37.820 0.326 3.484 1.00 16.90 C ATOM 428 HA MET A 30 35.638 2.380 1.213 1.00 0.00 H ATOM 429 HB2 MET A 30 37.189 0.610 -0.694 1.00 0.00 H ATOM 430 HB3 MET A 30 37.870 1.326 0.785 1.00 0.00 H ATOM 431 HG2 MET A 30 37.181 -1.025 1.081 1.00 0.00 H ATOM 432 HG3 MET A 30 35.508 -0.570 0.680 1.00 0.00 H ATOM 433 HE1 MET A 30 38.336 -0.624 3.347 1.00 0.00 H ATOM 434 HE2 MET A 30 38.345 1.109 2.936 1.00 0.00 H ATOM 435 HE3 MET A 30 37.795 0.577 4.544 1.00 0.00 H ATOM 436 H MET A 30 34.765 0.779 -1.008 1.00 0.00 H ATOM 437 N LYS A 31 36.560 3.407 -1.756 1.00 22.02 N ATOM 438 CA LYS A 31 37.151 4.520 -2.488 1.00 22.42 C ATOM 439 C LYS A 31 36.251 5.754 -2.429 1.00 21.42 C ATOM 440 O LYS A 31 36.708 6.850 -2.098 1.00 23.13 O ATOM 441 CB LYS A 31 37.388 4.121 -3.948 1.00 24.37 C ATOM 442 CG LYS A 31 37.984 5.225 -4.810 1.00 26.67 C ATOM 443 CD LYS A 31 38.168 4.761 -6.248 1.00 29.82 C ATOM 444 CE LYS A 31 38.758 5.861 -7.116 1.00 30.78 C ATOM 445 NZ LYS A 31 38.899 5.438 -8.539 1.00 33.77 N ATOM 446 HA LYS A 31 38.104 4.766 -2.020 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.069 3.270 -3.963 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.432 3.827 -4.382 1.00 0.00 H ATOM 449 HG2 LYS A 31 37.316 6.087 -4.797 1.00 0.00 H ATOM 450 HG3 LYS A 31 38.953 5.511 -4.402 1.00 0.00 H ATOM 451 HD2 LYS A 31 38.838 3.901 -6.260 1.00 0.00 H ATOM 452 HD3 LYS A 31 37.199 4.470 -6.654 1.00 0.00 H ATOM 453 HE2 LYS A 31 39.742 6.125 -6.728 1.00 0.00 H ATOM 454 HE3 LYS A 31 38.105 6.733 -7.071 1.00 0.00 H ATOM 455 HZ1 LYS A 31 39.527 4.610 -8.593 1.00 0.00 H ATOM 456 HZ2 LYS A 31 37.964 5.191 -8.920 1.00 0.00 H ATOM 457 HZ3 LYS A 31 39.305 6.219 -9.093 1.00 0.00 H ATOM 458 H LYS A 31 36.065 2.658 -2.282 1.00 0.00 H ATOM 459 N SER A 32 34.971 5.572 -2.740 1.00 21.61 N ATOM 460 CA SER A 32 34.021 6.680 -2.737 1.00 22.39 C ATOM 461 C SER A 32 33.898 7.370 -1.380 1.00 22.30 C ATOM 462 O SER A 32 33.680 8.580 -1.317 1.00 24.19 O ATOM 463 CB SER A 32 32.641 6.200 -3.204 1.00 23.06 C ATOM 464 OG SER A 32 32.125 5.187 -2.360 1.00 27.04 O ATOM 465 HA SER A 32 34.415 7.421 -3.432 1.00 0.00 H ATOM 466 HB2 SER A 32 32.728 5.806 -4.217 1.00 0.00 H ATOM 467 HB3 SER A 32 31.953 7.046 -3.202 1.00 0.00 H ATOM 468 HG SER A 32 32.742 4.412 -2.361 1.00 0.00 H ATOM 469 H SER A 32 34.639 4.619 -2.991 1.00 0.00 H ATOM 470 N ARG A 33 34.042 6.610 -0.298 1.00 20.88 N ATOM 471 CA ARG A 33 33.942 7.180 1.042 1.00 20.00 C ATOM 472 C ARG A 33 35.296 7.641 1.583 1.00 20.97 C ATOM 473 O ARG A 33 35.448 7.883 2.783 1.00 21.25 O ATOM 474 CB ARG A 33 33.316 6.168 2.012 1.00 17.64 C ATOM 475 CG ARG A 33 31.864 5.808 1.715 1.00 17.26 C ATOM 476 CD ARG A 33 30.958 7.033 1.719 1.00 15.51 C ATOM 477 NE ARG A 33 29.555 6.675 1.524 1.00 16.37 N ATOM 478 CZ ARG A 33 28.765 6.185 2.474 1.00 15.43 C ATOM 479 NH1 ARG A 33 29.235 5.999 3.699 1.00 15.63 N ATOM 480 NH2 ARG A 33 27.505 5.872 2.196 1.00 17.70 N ATOM 481 HA ARG A 33 33.301 8.058 0.963 1.00 0.00 H ATOM 482 HB2 ARG A 33 33.907 5.253 1.975 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.362 6.588 3.017 1.00 0.00 H ATOM 484 HG2 ARG A 33 31.812 5.335 0.734 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.513 5.108 2.473 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.266 7.702 0.915 1.00 0.00 H ATOM 487 HD3 ARG A 33 31.061 7.545 2.676 1.00 0.00 H ATOM 488 HE ARG A 33 29.147 6.813 0.578 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.615 5.616 4.441 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.223 6.237 3.918 1.00 0.00 H ATOM 491 HH22 ARG A 33 26.888 5.489 2.940 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.135 6.010 1.234 1.00 0.00 H ATOM 493 H ARG A 33 34.229 5.593 -0.409 1.00 0.00 H ATOM 494 N ASN A 34 36.276 7.752 0.689 1.00 21.95 N ATOM 495 CA ASN A 34 37.622 8.201 1.041 1.00 23.78 C ATOM 496 C ASN A 34 38.326 7.411 2.137 1.00 23.60 C ATOM 497 O ASN A 34 38.977 7.996 3.005 1.00 25.26 O ATOM 498 CB ASN A 34 37.587 9.678 1.434 1.00 27.21 C ATOM 499 CG ASN A 34 37.341 10.586 0.250 1.00 30.89 C ATOM 500 OD1 ASN A 34 38.125 10.607 -0.700 1.00 34.20 O ATOM 501 ND2 ASN A 34 36.249 11.339 0.296 1.00 33.01 N ATOM 502 HA ASN A 34 38.211 8.029 0.140 1.00 0.00 H ATOM 503 HB2 ASN A 34 36.789 9.828 2.162 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.543 9.943 1.885 1.00 0.00 H ATOM 505 HD22 ASN A 34 35.616 11.287 1.120 1.00 0.00 H ATOM 506 HD21 ASN A 34 36.026 11.981 -0.492 1.00 0.00 H ATOM 507 H ASN A 34 36.076 7.509 -0.302 1.00 0.00 H ATOM 508 N LEU A 35 38.219 6.088 2.089 1.00 23.35 N ATOM 509 CA LEU A 35 38.853 5.244 3.092 1.00 23.61 C ATOM 510 C LEU A 35 40.136 4.606 2.559 1.00 24.39 C ATOM 511 O LEU A 35 40.693 3.700 3.176 1.00 26.47 O ATOM 512 CB LEU A 35 37.874 4.160 3.554 1.00 21.84 C ATOM 513 CG LEU A 35 36.492 4.683 3.961 1.00 21.36 C ATOM 514 CD1 LEU A 35 35.637 3.531 4.452 1.00 21.23 C ATOM 515 CD2 LEU A 35 36.633 5.744 5.044 1.00 22.62 C ATOM 516 HA LEU A 35 39.124 5.873 3.940 1.00 0.00 H ATOM 517 HB2 LEU A 35 37.743 3.449 2.738 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.311 3.649 4.412 1.00 0.00 H ATOM 519 HG LEU A 35 36.008 5.137 3.096 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.123 5.309 5.915 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.232 6.572 4.664 1.00 0.00 H ATOM 522 HD23 LEU A 35 35.645 6.108 5.325 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.527 2.796 3.654 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.117 3.065 5.313 1.00 0.00 H ATOM 525 HD13 LEU A 35 34.655 3.906 4.741 1.00 0.00 H ATOM 526 H LEU A 35 37.673 5.647 1.322 1.00 0.00 H ATOM 527 N THR A 36 40.599 5.086 1.410 1.00 26.64 N ATOM 528 CA THR A 36 41.821 4.569 0.803 1.00 28.09 C ATOM 529 C THR A 36 42.645 5.724 0.241 1.00 30.24 C ATOM 530 O THR A 36 43.363 5.568 -0.748 1.00 29.61 O ATOM 531 CB THR A 36 41.508 3.584 -0.341 1.00 27.48 C ATOM 532 OG1 THR A 36 40.816 4.271 -1.391 1.00 27.21 O ATOM 533 CG2 THR A 36 40.639 2.438 0.165 1.00 28.80 C ATOM 534 HA THR A 36 42.379 4.042 1.577 1.00 0.00 H ATOM 535 HB THR A 36 42.447 3.179 -0.718 1.00 0.00 H ATOM 536 HG1 THR A 36 40.617 3.636 -2.124 1.00 0.00 H ATOM 537 HG23 THR A 36 41.162 1.913 0.964 1.00 0.00 H ATOM 538 HG21 THR A 36 39.699 2.837 0.545 1.00 0.00 H ATOM 539 HG22 THR A 36 40.437 1.748 -0.654 1.00 0.00 H ATOM 540 H THR A 36 40.078 5.848 0.932 1.00 0.00 H ATOM 541 N LYS A 37 42.540 6.883 0.882 1.00 31.46 N ATOM 542 CA LYS A 37 43.263 8.065 0.432 1.00 33.44 C ATOM 543 C LYS A 37 44.719 8.077 0.888 1.00 33.34 C ATOM 544 O LYS A 37 45.617 8.343 0.091 1.00 33.89 O ATOM 545 CB LYS A 37 42.556 9.332 0.923 1.00 34.67 C ATOM 546 CG LYS A 37 43.144 10.620 0.368 1.00 37.35 C ATOM 547 CD LYS A 37 42.330 11.830 0.797 1.00 39.40 C ATOM 548 CE LYS A 37 42.889 13.112 0.197 1.00 39.99 C ATOM 549 NZ LYS A 37 42.108 14.309 0.614 1.00 41.89 N ATOM 550 HA LYS A 37 43.267 8.037 -0.658 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.508 9.277 0.627 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.624 9.364 2.010 1.00 0.00 H ATOM 553 HG2 LYS A 37 44.165 10.731 0.734 1.00 0.00 H ATOM 554 HG3 LYS A 37 43.153 10.566 -0.721 1.00 0.00 H ATOM 555 HD2 LYS A 37 41.300 11.702 0.465 1.00 0.00 H ATOM 556 HD3 LYS A 37 42.353 11.907 1.884 1.00 0.00 H ATOM 557 HE2 LYS A 37 42.861 13.034 -0.890 1.00 0.00 H ATOM 558 HE3 LYS A 37 43.922 13.233 0.525 1.00 0.00 H ATOM 559 HZ1 LYS A 37 41.122 14.205 0.299 1.00 0.00 H ATOM 560 HZ2 LYS A 37 42.135 14.396 1.650 1.00 0.00 H ATOM 561 HZ3 LYS A 37 42.523 15.160 0.183 1.00 0.00 H ATOM 562 H LYS A 37 41.930 6.948 1.722 1.00 0.00 H ATOM 563 N ASP A 38 44.949 7.790 2.165 1.00 33.40 N ATOM 564 CA ASP A 38 46.303 7.778 2.713 1.00 34.64 C ATOM 565 C ASP A 38 46.876 6.366 2.760 1.00 33.83 C ATOM 566 O ASP A 38 48.093 6.177 2.750 1.00 34.11 O ATOM 567 CB ASP A 38 46.310 8.375 4.122 1.00 36.68 C ATOM 568 CG ASP A 38 45.716 9.767 4.168 1.00 38.48 C ATOM 569 OD1 ASP A 38 46.180 10.640 3.404 1.00 39.68 O ATOM 570 OD2 ASP A 38 44.786 9.989 4.972 1.00 40.02 O ATOM 571 HA ASP A 38 46.928 8.381 2.054 1.00 0.00 H ATOM 572 HB2 ASP A 38 45.731 7.726 4.779 1.00 0.00 H ATOM 573 HB3 ASP A 38 47.340 8.423 4.476 1.00 0.00 H ATOM 574 H ASP A 38 44.147 7.569 2.789 1.00 0.00 H ATOM 575 N ARG A 39 45.986 5.381 2.819 1.00 31.96 N ATOM 576 CA ARG A 39 46.373 3.976 2.868 1.00 31.30 C ATOM 577 C ARG A 39 45.120 3.131 2.696 1.00 29.99 C ATOM 578 O ARG A 39 44.005 3.639 2.804 1.00 31.06 O ATOM 579 CB ARG A 39 47.031 3.647 4.212 1.00 31.61 C ATOM 580 CG ARG A 39 46.136 3.892 5.425 1.00 34.50 C ATOM 581 CD ARG A 39 46.902 3.712 6.734 1.00 36.37 C ATOM 582 NE ARG A 39 47.126 2.310 7.079 1.00 38.08 N ATOM 583 CZ ARG A 39 46.311 1.584 7.840 1.00 38.69 C ATOM 584 NH1 ARG A 39 45.209 2.124 8.346 1.00 39.74 N ATOM 585 NH2 ARG A 39 46.601 0.316 8.102 1.00 39.42 N ATOM 586 HA ARG A 39 47.090 3.766 2.074 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.316 2.595 4.205 1.00 0.00 H ATOM 588 HB3 ARG A 39 47.924 4.264 4.316 1.00 0.00 H ATOM 589 HG2 ARG A 39 45.748 4.910 5.379 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.306 3.186 5.401 1.00 0.00 H ATOM 591 HD2 ARG A 39 46.332 4.180 7.537 1.00 0.00 H ATOM 592 HD3 ARG A 39 47.869 4.205 6.641 1.00 0.00 H ATOM 593 HE ARG A 39 47.980 1.849 6.705 1.00 0.00 H ATOM 594 HH12 ARG A 39 44.575 1.552 8.940 1.00 0.00 H ATOM 595 HH11 ARG A 39 44.979 3.119 8.148 1.00 0.00 H ATOM 596 HH22 ARG A 39 45.964 -0.251 8.697 1.00 0.00 H ATOM 597 HH21 ARG A 39 47.466 -0.111 7.712 1.00 0.00 H ATOM 598 H ARG A 39 44.974 5.622 2.831 1.00 0.00 H ATOM 599 N CYS A 40 45.300 1.846 2.416 1.00 28.58 N ATOM 600 CA CYS A 40 44.157 0.957 2.261 1.00 26.84 C ATOM 601 C CYS A 40 43.685 0.568 3.655 1.00 25.76 C ATOM 602 O CYS A 40 44.371 -0.180 4.348 1.00 26.53 O ATOM 603 CB CYS A 40 44.547 -0.316 1.504 1.00 26.50 C ATOM 604 SG CYS A 40 45.211 -0.103 -0.180 1.00 25.70 S ATOM 605 HA CYS A 40 43.376 1.467 1.696 1.00 0.00 H ATOM 606 HB2 CYS A 40 43.657 -0.942 1.431 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.305 -0.831 2.094 1.00 0.00 H ATOM 608 H CYS A 40 46.264 1.471 2.307 1.00 0.00 H ATOM 609 N LYS A 41 42.533 1.081 4.081 1.00 24.43 N ATOM 610 CA LYS A 41 42.030 0.717 5.398 1.00 23.31 C ATOM 611 C LYS A 41 41.791 -0.786 5.333 1.00 23.15 C ATOM 612 O LYS A 41 40.986 -1.261 4.533 1.00 22.60 O ATOM 613 CB LYS A 41 40.726 1.450 5.716 1.00 22.20 C ATOM 614 CG LYS A 41 40.250 1.217 7.145 1.00 22.02 C ATOM 615 CD LYS A 41 39.013 2.033 7.487 1.00 21.50 C ATOM 616 CE LYS A 41 38.566 1.746 8.916 1.00 22.93 C ATOM 617 NZ LYS A 41 37.364 2.534 9.309 1.00 21.30 N ATOM 618 HA LYS A 41 42.735 0.990 6.183 1.00 0.00 H ATOM 619 HB2 LYS A 41 40.883 2.519 5.571 1.00 0.00 H ATOM 620 HB3 LYS A 41 39.954 1.101 5.030 1.00 0.00 H ATOM 621 HG2 LYS A 41 40.017 0.159 7.268 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.052 1.493 7.830 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.243 3.094 7.389 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.209 1.772 6.799 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.383 1.993 9.594 1.00 0.00 H ATOM 626 HE3 LYS A 41 38.332 0.685 9.003 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.578 3.549 9.238 1.00 0.00 H ATOM 628 HZ2 LYS A 41 36.575 2.300 8.674 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.103 2.301 10.288 1.00 0.00 H ATOM 630 H LYS A 41 41.996 1.737 3.478 1.00 0.00 H ATOM 631 N PRO A 42 42.501 -1.556 6.168 1.00 23.32 N ATOM 632 CA PRO A 42 42.408 -3.018 6.237 1.00 23.04 C ATOM 633 C PRO A 42 40.997 -3.602 6.326 1.00 22.29 C ATOM 634 O PRO A 42 40.608 -4.441 5.511 1.00 22.59 O ATOM 635 CB PRO A 42 43.242 -3.353 7.471 1.00 25.26 C ATOM 636 CG PRO A 42 44.261 -2.271 7.485 1.00 25.42 C ATOM 637 CD PRO A 42 43.443 -1.049 7.182 1.00 25.33 C ATOM 638 HA PRO A 42 42.762 -3.466 5.309 1.00 0.00 H ATOM 639 HD3 PRO A 42 42.918 -0.693 8.069 1.00 0.00 H ATOM 640 HD2 PRO A 42 44.062 -0.246 6.782 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.021 -2.436 6.721 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.739 -2.193 8.461 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.633 -3.331 8.375 1.00 0.00 H ATOM 644 HB3 PRO A 42 43.710 -4.332 7.374 1.00 0.00 H ATOM 645 N VAL A 43 40.237 -3.163 7.324 1.00 20.90 N ATOM 646 CA VAL A 43 38.885 -3.667 7.528 1.00 18.36 C ATOM 647 C VAL A 43 37.918 -2.526 7.783 1.00 16.45 C ATOM 648 O VAL A 43 38.234 -1.591 8.514 1.00 17.00 O ATOM 649 CB VAL A 43 38.835 -4.628 8.738 1.00 19.83 C ATOM 650 CG1 VAL A 43 37.437 -5.207 8.892 1.00 20.79 C ATOM 651 CG2 VAL A 43 39.854 -5.743 8.559 1.00 20.12 C ATOM 652 HA VAL A 43 38.596 -4.199 6.622 1.00 0.00 H ATOM 653 HB VAL A 43 39.080 -4.071 9.642 1.00 0.00 H ATOM 654 HG11 VAL A 43 36.725 -4.397 9.050 1.00 0.00 H ATOM 655 HG12 VAL A 43 37.171 -5.756 7.989 1.00 0.00 H ATOM 656 HG13 VAL A 43 37.417 -5.882 9.748 1.00 0.00 H ATOM 657 HG21 VAL A 43 39.627 -6.299 7.649 1.00 0.00 H ATOM 658 HG22 VAL A 43 40.852 -5.312 8.483 1.00 0.00 H ATOM 659 HG23 VAL A 43 39.811 -6.414 9.417 1.00 0.00 H ATOM 660 H VAL A 43 40.615 -2.444 7.973 1.00 0.00 H ATOM 661 N ASN A 44 36.744 -2.598 7.166 1.00 16.23 N ATOM 662 CA ASN A 44 35.731 -1.572 7.358 1.00 14.26 C ATOM 663 C ASN A 44 34.350 -2.148 7.107 1.00 12.81 C ATOM 664 O ASN A 44 34.126 -2.839 6.115 1.00 14.83 O ATOM 665 CB ASN A 44 35.956 -0.388 6.424 1.00 13.73 C ATOM 666 CG ASN A 44 35.079 0.790 6.780 1.00 15.29 C ATOM 667 OD1 ASN A 44 35.299 1.453 7.794 1.00 14.87 O ATOM 668 ND2 ASN A 44 34.064 1.045 5.963 1.00 14.08 N ATOM 669 HA ASN A 44 35.806 -1.223 8.388 1.00 0.00 H ATOM 670 HB2 ASN A 44 37.000 -0.082 6.489 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.732 -0.698 5.403 1.00 0.00 H ATOM 672 HD22 ASN A 44 33.917 0.458 5.117 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.416 1.832 6.169 1.00 0.00 H ATOM 674 H ASN A 44 36.546 -3.401 6.535 1.00 0.00 H ATOM 675 N THR A 45 33.423 -1.837 8.003 1.00 11.67 N ATOM 676 CA THR A 45 32.060 -2.333 7.907 1.00 10.61 C ATOM 677 C THR A 45 31.052 -1.239 7.598 1.00 10.49 C ATOM 678 O THR A 45 31.112 -0.147 8.164 1.00 12.00 O ATOM 679 CB THR A 45 31.642 -2.989 9.229 1.00 9.89 C ATOM 680 OG1 THR A 45 32.569 -4.033 9.550 1.00 11.30 O ATOM 681 CG2 THR A 45 30.237 -3.564 9.120 1.00 11.73 C ATOM 682 HA THR A 45 32.058 -3.051 7.086 1.00 0.00 H ATOM 683 HB THR A 45 31.646 -2.235 10.017 1.00 0.00 H ATOM 684 HG1 THR A 45 32.566 -4.709 8.827 1.00 0.00 H ATOM 685 HG23 THR A 45 29.537 -2.765 8.876 1.00 0.00 H ATOM 686 HG21 THR A 45 30.215 -4.320 8.336 1.00 0.00 H ATOM 687 HG22 THR A 45 29.956 -4.017 10.071 1.00 0.00 H ATOM 688 H THR A 45 33.679 -1.219 8.799 1.00 0.00 H ATOM 689 N PHE A 46 30.128 -1.548 6.693 1.00 11.48 N ATOM 690 CA PHE A 46 29.067 -0.623 6.320 1.00 10.17 C ATOM 691 C PHE A 46 27.756 -1.201 6.843 1.00 11.35 C ATOM 692 O PHE A 46 27.492 -2.396 6.683 1.00 12.97 O ATOM 693 CB PHE A 46 29.002 -0.472 4.797 1.00 11.88 C ATOM 694 CG PHE A 46 30.121 0.345 4.224 1.00 13.31 C ATOM 695 CD1 PHE A 46 30.097 1.735 4.305 1.00 13.15 C ATOM 696 CD2 PHE A 46 31.212 -0.271 3.624 1.00 12.34 C ATOM 697 CE1 PHE A 46 31.148 2.501 3.796 1.00 14.33 C ATOM 698 CE2 PHE A 46 32.269 0.488 3.111 1.00 13.72 C ATOM 699 CZ PHE A 46 32.234 1.876 3.199 1.00 14.70 C ATOM 700 HA PHE A 46 29.254 0.363 6.746 1.00 0.00 H ATOM 701 HB2 PHE A 46 29.037 -1.466 4.351 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.058 0.008 4.538 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.245 -1.358 3.552 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.119 -0.008 2.643 1.00 0.00 H ATOM 705 HZ PHE A 46 33.056 2.470 2.801 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.115 3.588 3.867 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.247 2.232 4.772 1.00 0.00 H ATOM 708 H PHE A 46 30.164 -2.482 6.236 1.00 0.00 H ATOM 709 N VAL A 47 26.947 -0.357 7.478 1.00 10.52 N ATOM 710 CA VAL A 47 25.663 -0.784 8.031 1.00 11.84 C ATOM 711 C VAL A 47 24.535 -0.274 7.137 1.00 12.28 C ATOM 712 O VAL A 47 24.485 0.905 6.800 1.00 12.74 O ATOM 713 CB VAL A 47 25.488 -0.258 9.474 1.00 10.91 C ATOM 714 CG1 VAL A 47 24.173 -0.751 10.057 1.00 12.65 C ATOM 715 CG2 VAL A 47 26.654 -0.729 10.336 1.00 12.63 C ATOM 716 HA VAL A 47 25.633 -1.873 8.065 1.00 0.00 H ATOM 717 HB VAL A 47 25.473 0.832 9.457 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.347 -0.391 9.443 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.169 -1.841 10.071 1.00 0.00 H ATOM 720 HG13 VAL A 47 24.063 -0.373 11.073 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.678 -1.819 10.348 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.587 -0.348 9.922 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.527 -0.356 11.352 1.00 0.00 H ATOM 724 H VAL A 47 27.237 0.636 7.584 1.00 0.00 H ATOM 725 N HIS A 48 23.618 -1.164 6.771 1.00 12.59 N ATOM 726 CA HIS A 48 22.534 -0.794 5.864 1.00 14.28 C ATOM 727 C HIS A 48 21.209 -0.381 6.492 1.00 16.35 C ATOM 728 O HIS A 48 20.246 -0.076 5.784 1.00 18.82 O ATOM 729 CB HIS A 48 22.322 -1.929 4.864 1.00 13.32 C ATOM 730 CG HIS A 48 23.574 -2.322 4.145 1.00 12.93 C ATOM 731 ND1 HIS A 48 24.286 -1.441 3.358 1.00 15.36 N ATOM 732 CD2 HIS A 48 24.264 -3.486 4.125 1.00 12.82 C ATOM 733 CE1 HIS A 48 25.360 -2.048 2.883 1.00 16.08 C ATOM 734 NE2 HIS A 48 25.369 -3.290 3.334 1.00 14.00 N ATOM 735 HA HIS A 48 22.872 0.125 5.385 1.00 0.00 H ATOM 736 HB2 HIS A 48 21.943 -2.798 5.401 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.585 -1.609 4.127 1.00 0.00 H ATOM 738 HD2 HIS A 48 23.993 -4.407 4.641 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.110 -1.600 2.231 1.00 0.00 H ATOM 740 H HIS A 48 23.673 -2.137 7.135 1.00 0.00 H ATOM 741 N GLU A 49 21.167 -0.341 7.817 1.00 15.73 N ATOM 742 CA GLU A 49 19.959 0.056 8.528 1.00 13.60 C ATOM 743 C GLU A 49 19.854 1.580 8.504 1.00 13.69 C ATOM 744 O GLU A 49 20.792 2.265 8.099 1.00 15.50 O ATOM 745 CB GLU A 49 20.022 -0.438 9.974 1.00 14.39 C ATOM 746 CG GLU A 49 20.230 -1.943 10.120 1.00 14.53 C ATOM 747 CD GLU A 49 19.104 -2.759 9.509 1.00 15.09 C ATOM 748 OE1 GLU A 49 17.982 -2.229 9.382 1.00 16.48 O ATOM 749 OE2 GLU A 49 19.335 -3.938 9.171 1.00 16.94 O ATOM 750 HA GLU A 49 19.085 -0.382 8.046 1.00 0.00 H ATOM 751 HB2 GLU A 49 20.848 0.070 10.472 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.085 -0.174 10.465 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.163 -2.215 9.627 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.298 -2.183 11.181 1.00 0.00 H ATOM 755 H GLU A 49 22.015 -0.599 8.361 1.00 0.00 H ATOM 756 N SER A 50 18.716 2.115 8.933 1.00 14.06 N ATOM 757 CA SER A 50 18.522 3.560 8.953 1.00 14.76 C ATOM 758 C SER A 50 19.454 4.206 9.966 1.00 14.98 C ATOM 759 O SER A 50 19.917 3.552 10.898 1.00 15.05 O ATOM 760 CB SER A 50 17.078 3.902 9.326 1.00 15.56 C ATOM 761 OG SER A 50 16.817 3.595 10.686 1.00 16.78 O ATOM 762 HA SER A 50 18.742 3.941 7.956 1.00 0.00 H ATOM 763 HB2 SER A 50 16.401 3.327 8.694 1.00 0.00 H ATOM 764 HB3 SER A 50 16.910 4.966 9.162 1.00 0.00 H ATOM 765 HG SER A 50 15.878 3.825 10.901 1.00 0.00 H ATOM 766 H SER A 50 17.950 1.492 9.260 1.00 0.00 H ATOM 767 N LEU A 51 19.723 5.494 9.788 1.00 14.56 N ATOM 768 CA LEU A 51 20.588 6.209 10.716 1.00 14.75 C ATOM 769 C LEU A 51 19.947 6.210 12.097 1.00 14.90 C ATOM 770 O LEU A 51 20.631 6.085 13.109 1.00 13.95 O ATOM 771 CB LEU A 51 20.805 7.652 10.256 1.00 16.61 C ATOM 772 CG LEU A 51 21.664 8.513 11.186 1.00 17.01 C ATOM 773 CD1 LEU A 51 23.056 7.914 11.311 1.00 16.77 C ATOM 774 CD2 LEU A 51 21.741 9.931 10.649 1.00 19.15 C ATOM 775 HA LEU A 51 21.555 5.707 10.750 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.288 7.625 9.279 1.00 0.00 H ATOM 777 HB3 LEU A 51 19.828 8.127 10.164 1.00 0.00 H ATOM 778 HG LEU A 51 21.208 8.538 12.176 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.187 9.918 9.655 1.00 0.00 H ATOM 780 HD22 LEU A 51 20.737 10.352 10.592 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.354 10.538 11.316 1.00 0.00 H ATOM 782 HD11 LEU A 51 22.981 6.907 11.721 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.522 7.873 10.327 1.00 0.00 H ATOM 784 HD13 LEU A 51 23.659 8.534 11.975 1.00 0.00 H ATOM 785 H LEU A 51 19.311 5.998 8.977 1.00 0.00 H ATOM 786 N ALA A 52 18.627 6.349 12.138 1.00 16.09 N ATOM 787 CA ALA A 52 17.921 6.363 13.412 1.00 15.25 C ATOM 788 C ALA A 52 18.118 5.045 14.151 1.00 15.22 C ATOM 789 O ALA A 52 18.382 5.033 15.356 1.00 16.05 O ATOM 790 CB ALA A 52 16.439 6.623 13.186 1.00 17.58 C ATOM 791 HA ALA A 52 18.331 7.165 14.025 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.311 7.588 12.695 1.00 0.00 H ATOM 793 HB2 ALA A 52 16.025 5.836 12.556 1.00 0.00 H ATOM 794 HB3 ALA A 52 15.922 6.631 14.146 1.00 0.00 H ATOM 795 H ALA A 52 18.092 6.449 11.252 1.00 0.00 H ATOM 796 N ASP A 53 17.994 3.934 13.433 1.00 14.73 N ATOM 797 CA ASP A 53 18.163 2.628 14.059 1.00 15.19 C ATOM 798 C ASP A 53 19.577 2.415 14.586 1.00 14.66 C ATOM 799 O ASP A 53 19.761 1.841 15.658 1.00 14.17 O ATOM 800 CB ASP A 53 17.793 1.507 13.082 1.00 15.85 C ATOM 801 CG ASP A 53 16.295 1.276 13.005 1.00 17.38 C ATOM 802 OD1 ASP A 53 15.555 1.935 13.765 1.00 20.96 O ATOM 803 OD2 ASP A 53 15.856 0.433 12.194 1.00 20.00 O ATOM 804 HA ASP A 53 17.487 2.599 14.914 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.158 1.773 12.090 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.273 0.585 13.409 1.00 0.00 H ATOM 807 H ASP A 53 17.775 3.996 12.418 1.00 0.00 H ATOM 808 N VAL A 54 20.577 2.885 13.849 1.00 13.80 N ATOM 809 CA VAL A 54 21.952 2.718 14.293 1.00 13.19 C ATOM 810 C VAL A 54 22.235 3.645 15.474 1.00 12.71 C ATOM 811 O VAL A 54 22.882 3.247 16.443 1.00 14.12 O ATOM 812 CB VAL A 54 22.941 2.984 13.138 1.00 12.42 C ATOM 813 CG1 VAL A 54 24.370 2.851 13.627 1.00 12.41 C ATOM 814 CG2 VAL A 54 22.699 1.975 12.021 1.00 13.82 C ATOM 815 HA VAL A 54 22.090 1.686 14.617 1.00 0.00 H ATOM 816 HB VAL A 54 22.784 3.997 12.767 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.549 3.574 14.423 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.530 1.842 14.008 1.00 0.00 H ATOM 819 HG13 VAL A 54 25.055 3.042 12.801 1.00 0.00 H ATOM 820 HG21 VAL A 54 22.850 0.966 12.405 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.677 2.077 11.656 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.397 2.163 11.206 1.00 0.00 H ATOM 823 H VAL A 54 20.377 3.373 12.953 1.00 0.00 H ATOM 824 N GLN A 55 21.742 4.877 15.405 1.00 13.01 N ATOM 825 CA GLN A 55 21.941 5.825 16.501 1.00 11.82 C ATOM 826 C GLN A 55 21.297 5.293 17.783 1.00 13.00 C ATOM 827 O GLN A 55 21.794 5.530 18.887 1.00 14.67 O ATOM 828 CB GLN A 55 21.337 7.189 16.139 1.00 12.48 C ATOM 829 CG GLN A 55 22.201 8.004 15.187 1.00 12.03 C ATOM 830 CD GLN A 55 21.539 9.290 14.710 1.00 12.50 C ATOM 831 OE1 GLN A 55 22.222 10.227 14.291 1.00 17.16 O ATOM 832 NE2 GLN A 55 20.215 9.332 14.753 1.00 14.33 N ATOM 833 HA GLN A 55 23.012 5.946 16.667 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.368 7.023 15.669 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.201 7.761 17.057 1.00 0.00 H ATOM 836 HG2 GLN A 55 23.128 8.263 15.699 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.428 7.389 14.316 1.00 0.00 H ATOM 838 HE22 GLN A 55 19.680 8.517 15.115 1.00 0.00 H ATOM 839 HE21 GLN A 55 19.711 10.180 14.425 1.00 0.00 H ATOM 840 H GLN A 55 21.208 5.171 14.562 1.00 0.00 H ATOM 841 N ALA A 56 20.197 4.564 17.625 1.00 12.60 N ATOM 842 CA ALA A 56 19.471 4.001 18.759 1.00 13.33 C ATOM 843 C ALA A 56 20.295 2.984 19.542 1.00 12.34 C ATOM 844 O ALA A 56 20.026 2.731 20.716 1.00 12.94 O ATOM 845 CB ALA A 56 18.178 3.355 18.276 1.00 13.79 C ATOM 846 HA ALA A 56 19.250 4.825 19.438 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.558 4.107 17.788 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.413 2.561 17.568 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.642 2.937 19.128 1.00 0.00 H ATOM 850 H ALA A 56 19.842 4.389 16.663 1.00 0.00 H ATOM 851 N VAL A 57 21.298 2.399 18.896 1.00 11.76 N ATOM 852 CA VAL A 57 22.129 1.411 19.566 1.00 12.10 C ATOM 853 C VAL A 57 22.844 2.015 20.778 1.00 11.33 C ATOM 854 O VAL A 57 23.170 1.301 21.727 1.00 11.26 O ATOM 855 CB VAL A 57 23.156 0.791 18.578 1.00 11.64 C ATOM 856 CG1 VAL A 57 24.043 -0.231 19.290 1.00 10.83 C ATOM 857 CG2 VAL A 57 22.412 0.114 17.435 1.00 13.51 C ATOM 858 HA VAL A 57 21.474 0.617 19.925 1.00 0.00 H ATOM 859 HB VAL A 57 23.790 1.587 18.187 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.584 0.260 20.099 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.421 -1.028 19.698 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.754 -0.651 18.579 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.771 -0.671 17.835 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.803 0.851 16.913 1.00 0.00 H ATOM 865 HG23 VAL A 57 23.132 -0.321 16.742 1.00 0.00 H ATOM 866 H VAL A 57 21.490 2.649 17.905 1.00 0.00 H ATOM 867 N CYS A 58 23.064 3.328 20.766 1.00 10.20 N ATOM 868 CA CYS A 58 23.741 3.980 21.889 1.00 11.38 C ATOM 869 C CYS A 58 22.942 3.892 23.188 1.00 12.39 C ATOM 870 O CYS A 58 23.461 4.206 24.260 1.00 13.17 O ATOM 871 CB CYS A 58 24.032 5.448 21.561 1.00 12.79 C ATOM 872 SG CYS A 58 25.272 5.689 20.246 1.00 12.19 S ATOM 873 HA CYS A 58 24.678 3.444 22.043 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.394 5.935 22.466 1.00 0.00 H ATOM 875 HB3 CYS A 58 23.101 5.919 21.244 1.00 0.00 H ATOM 876 H CYS A 58 22.752 3.896 19.952 1.00 0.00 H ATOM 877 N SER A 59 21.687 3.459 23.093 1.00 13.21 N ATOM 878 CA SER A 59 20.829 3.325 24.270 1.00 13.78 C ATOM 879 C SER A 59 20.526 1.857 24.527 1.00 13.47 C ATOM 880 O SER A 59 19.698 1.522 25.377 1.00 14.32 O ATOM 881 CB SER A 59 19.506 4.059 24.049 1.00 14.94 C ATOM 882 OG SER A 59 18.680 3.330 23.154 1.00 17.94 O ATOM 883 HA SER A 59 21.352 3.756 25.124 1.00 0.00 H ATOM 884 HB2 SER A 59 19.707 5.045 23.630 1.00 0.00 H ATOM 885 HB3 SER A 59 18.992 4.169 25.004 1.00 0.00 H ATOM 886 HG SER A 59 19.144 3.231 22.285 1.00 0.00 H ATOM 887 H SER A 59 21.307 3.210 22.158 1.00 0.00 H ATOM 888 N GLN A 60 21.204 0.976 23.797 1.00 11.53 N ATOM 889 CA GLN A 60 20.959 -0.446 23.943 1.00 12.12 C ATOM 890 C GLN A 60 21.896 -1.188 24.902 1.00 12.23 C ATOM 891 O GLN A 60 22.205 -0.653 25.964 1.00 14.94 O ATOM 892 CB GLN A 60 20.878 -1.074 22.547 1.00 12.31 C ATOM 893 CG GLN A 60 19.591 -0.583 21.851 1.00 12.92 C ATOM 894 CD GLN A 60 19.434 -0.981 20.391 1.00 12.18 C ATOM 895 OE1 GLN A 60 19.880 -2.040 19.956 1.00 13.44 O ATOM 896 NE2 GLN A 60 18.754 -0.125 19.630 1.00 14.20 N ATOM 897 HA GLN A 60 20.001 -0.560 24.451 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.747 -0.777 21.961 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.855 -2.160 22.635 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.739 -0.984 22.401 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.576 0.506 21.905 1.00 0.00 H ATOM 902 HE22 GLN A 60 18.394 0.761 20.038 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.583 -0.343 18.627 1.00 0.00 H ATOM 904 H GLN A 60 21.916 1.309 23.116 1.00 0.00 H ATOM 905 N LYS A 61 22.343 -2.395 24.564 1.00 12.68 N ATOM 906 CA LYS A 61 23.174 -3.156 25.506 1.00 11.82 C ATOM 907 C LYS A 61 24.607 -2.662 25.705 1.00 10.75 C ATOM 908 O LYS A 61 25.436 -2.752 24.810 1.00 11.72 O ATOM 909 CB LYS A 61 23.196 -4.642 25.124 1.00 11.81 C ATOM 910 CG LYS A 61 23.846 -5.512 26.190 1.00 15.64 C ATOM 911 CD LYS A 61 23.847 -6.982 25.820 1.00 19.68 C ATOM 912 CE LYS A 61 24.584 -7.797 26.874 1.00 22.91 C ATOM 913 NZ LYS A 61 24.574 -9.256 26.582 1.00 25.94 N ATOM 914 HA LYS A 61 22.686 -2.995 26.467 1.00 0.00 H ATOM 915 HB2 LYS A 61 22.170 -4.980 24.975 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.753 -4.755 24.194 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.877 -5.185 26.327 1.00 0.00 H ATOM 918 HG3 LYS A 61 23.299 -5.387 27.125 1.00 0.00 H ATOM 919 HD2 LYS A 61 22.818 -7.335 25.748 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.342 -7.109 24.857 1.00 0.00 H ATOM 921 HE2 LYS A 61 24.107 -7.631 27.840 1.00 0.00 H ATOM 922 HE3 LYS A 61 25.619 -7.457 26.918 1.00 0.00 H ATOM 923 HZ1 LYS A 61 23.591 -9.594 26.546 1.00 0.00 H ATOM 924 HZ2 LYS A 61 25.035 -9.428 25.666 1.00 0.00 H ATOM 925 HZ3 LYS A 61 25.089 -9.762 27.331 1.00 0.00 H ATOM 926 H LYS A 61 22.105 -2.798 23.635 1.00 0.00 H ATOM 927 N ASN A 62 24.891 -2.161 26.904 1.00 11.05 N ATOM 928 CA ASN A 62 26.222 -1.656 27.234 1.00 10.57 C ATOM 929 C ASN A 62 27.161 -2.853 27.378 1.00 10.36 C ATOM 930 O ASN A 62 26.892 -3.771 28.161 1.00 13.82 O ATOM 931 CB ASN A 62 26.165 -0.873 28.555 1.00 10.57 C ATOM 932 CG ASN A 62 27.449 -0.099 28.862 1.00 12.72 C ATOM 933 OD1 ASN A 62 27.688 0.270 30.013 1.00 14.90 O ATOM 934 ND2 ASN A 62 28.260 0.166 27.846 1.00 12.98 N ATOM 935 HA ASN A 62 26.581 -0.989 26.450 1.00 0.00 H ATOM 936 HB2 ASN A 62 25.339 -0.164 28.501 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.984 -1.578 29.367 1.00 0.00 H ATOM 938 HD22 ASN A 62 28.020 -0.164 26.889 1.00 0.00 H ATOM 939 HD21 ASN A 62 29.135 0.704 28.006 1.00 0.00 H ATOM 940 H ASN A 62 24.144 -2.128 27.627 1.00 0.00 H ATOM 941 N VAL A 63 28.245 -2.843 26.605 1.00 9.59 N ATOM 942 CA VAL A 63 29.244 -3.908 26.640 1.00 10.78 C ATOM 943 C VAL A 63 30.639 -3.294 26.598 1.00 10.50 C ATOM 944 O VAL A 63 30.815 -2.157 26.172 1.00 11.95 O ATOM 945 CB VAL A 63 29.104 -4.883 25.441 1.00 11.63 C ATOM 946 CG1 VAL A 63 27.724 -5.525 25.449 1.00 12.21 C ATOM 947 CG2 VAL A 63 29.347 -4.159 24.130 1.00 12.69 C ATOM 948 HA VAL A 63 29.087 -4.470 27.560 1.00 0.00 H ATOM 949 HB VAL A 63 29.856 -5.666 25.540 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.587 -6.077 26.379 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.963 -4.749 25.371 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.637 -6.207 24.603 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.618 -3.356 24.019 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.353 -3.740 24.129 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.244 -4.862 23.304 1.00 0.00 H ATOM 956 H VAL A 63 28.386 -2.046 25.951 1.00 0.00 H ATOM 957 N ALA A 64 31.633 -4.048 27.046 1.00 10.33 N ATOM 958 CA ALA A 64 32.999 -3.546 27.036 1.00 8.98 C ATOM 959 C ALA A 64 33.515 -3.416 25.612 1.00 10.62 C ATOM 960 O ALA A 64 33.258 -4.266 24.756 1.00 11.23 O ATOM 961 CB ALA A 64 33.914 -4.482 27.838 1.00 9.68 C ATOM 962 HA ALA A 64 33.003 -2.559 27.499 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.561 -4.538 28.868 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.895 -5.476 27.392 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.932 -4.094 27.822 1.00 0.00 H ATOM 966 H ALA A 64 31.436 -5.003 27.407 1.00 0.00 H ATOM 967 N CYS A 65 34.237 -2.330 25.363 1.00 10.65 N ATOM 968 CA CYS A 65 34.838 -2.090 24.063 1.00 8.84 C ATOM 969 C CYS A 65 36.096 -2.939 23.980 1.00 9.67 C ATOM 970 O CYS A 65 36.692 -3.268 25.004 1.00 11.74 O ATOM 971 CB CYS A 65 35.279 -0.644 23.932 1.00 10.08 C ATOM 972 SG CYS A 65 34.002 0.633 24.002 1.00 11.10 S ATOM 973 HA CYS A 65 34.112 -2.326 23.285 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.788 -0.544 22.973 1.00 0.00 H ATOM 975 HB3 CYS A 65 35.984 -0.444 24.739 1.00 0.00 H ATOM 976 H CYS A 65 34.376 -1.631 26.121 1.00 0.00 H ATOM 977 N LYS A 66 36.523 -3.263 22.767 1.00 10.49 N ATOM 978 CA LYS A 66 37.732 -4.052 22.604 1.00 11.29 C ATOM 979 C LYS A 66 38.942 -3.370 23.257 1.00 12.15 C ATOM 980 O LYS A 66 39.855 -4.049 23.732 1.00 14.20 O ATOM 981 CB LYS A 66 38.010 -4.301 21.119 1.00 11.90 C ATOM 982 CG LYS A 66 37.083 -5.315 20.477 1.00 12.75 C ATOM 983 CD LYS A 66 37.560 -5.655 19.077 1.00 19.53 C ATOM 984 CE LYS A 66 36.800 -6.837 18.510 1.00 22.56 C ATOM 985 NZ LYS A 66 37.446 -7.348 17.270 1.00 29.17 N ATOM 986 HA LYS A 66 37.572 -5.007 23.104 1.00 0.00 H ATOM 987 HB2 LYS A 66 37.904 -3.355 20.587 1.00 0.00 H ATOM 988 HB3 LYS A 66 39.034 -4.661 21.018 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.068 -6.222 21.082 1.00 0.00 H ATOM 990 HG3 LYS A 66 36.077 -4.899 20.423 1.00 0.00 H ATOM 991 HD2 LYS A 66 37.408 -4.791 18.430 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.622 -5.899 19.112 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.781 -6.527 18.278 1.00 0.00 H ATOM 994 HE3 LYS A 66 36.776 -7.634 19.253 1.00 0.00 H ATOM 995 HZ1 LYS A 66 37.467 -6.593 16.555 1.00 0.00 H ATOM 996 HZ2 LYS A 66 38.417 -7.650 17.486 1.00 0.00 H ATOM 997 HZ3 LYS A 66 36.903 -8.157 16.906 1.00 0.00 H ATOM 998 H LYS A 66 35.991 -2.951 21.930 1.00 0.00 H ATOM 999 N ASN A 67 38.945 -2.040 23.295 1.00 13.93 N ATOM 1000 CA ASN A 67 40.059 -1.308 23.888 1.00 13.44 C ATOM 1001 C ASN A 67 39.968 -1.155 25.405 1.00 13.11 C ATOM 1002 O ASN A 67 40.799 -0.485 26.016 1.00 16.16 O ATOM 1003 CB ASN A 67 40.211 0.077 23.237 1.00 14.15 C ATOM 1004 CG ASN A 67 39.047 1.012 23.534 1.00 14.94 C ATOM 1005 OD1 ASN A 67 38.167 0.707 24.335 1.00 14.67 O ATOM 1006 ND2 ASN A 67 39.047 2.171 22.881 1.00 17.27 N ATOM 1007 HA ASN A 67 40.941 -1.916 23.689 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.127 0.536 23.608 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.284 -0.054 22.157 1.00 0.00 H ATOM 1010 HD22 ASN A 67 39.811 2.390 22.211 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.283 2.858 23.041 1.00 0.00 H ATOM 1012 H ASN A 67 38.141 -1.514 22.896 1.00 0.00 H ATOM 1013 N GLY A 68 38.961 -1.773 26.012 1.00 12.30 N ATOM 1014 CA GLY A 68 38.818 -1.687 27.455 1.00 11.03 C ATOM 1015 C GLY A 68 37.921 -0.569 27.952 1.00 12.23 C ATOM 1016 O GLY A 68 37.547 -0.550 29.123 1.00 13.91 O ATOM 1017 HA3 GLY A 68 39.809 -1.540 27.884 1.00 0.00 H ATOM 1018 HA2 GLY A 68 38.407 -2.632 27.810 1.00 0.00 H ATOM 1019 H GLY A 68 38.274 -2.319 25.454 1.00 0.00 H ATOM 1020 N GLN A 69 37.593 0.379 27.083 1.00 13.12 N ATOM 1021 CA GLN A 69 36.713 1.468 27.478 1.00 13.19 C ATOM 1022 C GLN A 69 35.323 0.882 27.700 1.00 13.82 C ATOM 1023 O GLN A 69 35.027 -0.207 27.215 1.00 13.24 O ATOM 1024 CB GLN A 69 36.683 2.551 26.402 1.00 13.22 C ATOM 1025 CG GLN A 69 37.968 3.368 26.315 1.00 15.49 C ATOM 1026 CD GLN A 69 38.327 4.041 27.629 1.00 18.57 C ATOM 1027 OE1 GLN A 69 39.007 3.457 28.473 1.00 21.31 O ATOM 1028 NE2 GLN A 69 37.858 5.274 27.813 1.00 19.69 N ATOM 1029 HA GLN A 69 37.073 1.935 28.394 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.513 2.073 25.437 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.858 3.229 26.620 1.00 0.00 H ATOM 1032 HG2 GLN A 69 38.784 2.705 26.029 1.00 0.00 H ATOM 1033 HG3 GLN A 69 37.842 4.137 25.553 1.00 0.00 H ATOM 1034 HE22 GLN A 69 37.287 5.729 27.072 1.00 0.00 H ATOM 1035 HE21 GLN A 69 38.063 5.782 28.697 1.00 0.00 H ATOM 1036 H GLN A 69 37.967 0.343 26.113 1.00 0.00 H ATOM 1037 N THR A 70 34.472 1.615 28.411 1.00 12.43 N ATOM 1038 CA THR A 70 33.129 1.139 28.751 1.00 14.22 C ATOM 1039 C THR A 70 31.968 1.737 27.961 1.00 13.49 C ATOM 1040 O THR A 70 30.804 1.445 28.256 1.00 16.32 O ATOM 1041 CB THR A 70 32.833 1.412 30.231 1.00 15.93 C ATOM 1042 OG1 THR A 70 32.861 2.829 30.457 1.00 18.73 O ATOM 1043 CG2 THR A 70 33.874 0.745 31.121 1.00 21.00 C ATOM 1044 HA THR A 70 33.173 0.080 28.496 1.00 0.00 H ATOM 1045 HB THR A 70 31.852 1.005 30.475 1.00 0.00 H ATOM 1046 HG1 THR A 70 32.175 3.266 29.892 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.857 -0.332 30.953 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.862 1.136 30.878 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.645 0.955 32.166 1.00 0.00 H ATOM 1050 H THR A 70 34.769 2.557 28.736 1.00 0.00 H ATOM 1051 N ASN A 71 32.268 2.555 26.962 1.00 10.71 N ATOM 1052 CA ASN A 71 31.220 3.212 26.192 1.00 10.34 C ATOM 1053 C ASN A 71 30.793 2.525 24.891 1.00 10.08 C ATOM 1054 O ASN A 71 30.501 3.194 23.903 1.00 10.18 O ATOM 1055 CB ASN A 71 31.637 4.665 25.913 1.00 12.24 C ATOM 1056 CG ASN A 71 32.888 4.768 25.057 1.00 11.86 C ATOM 1057 OD1 ASN A 71 33.906 4.131 25.339 1.00 13.47 O ATOM 1058 ND2 ASN A 71 32.822 5.582 24.008 1.00 11.24 N ATOM 1059 HA ASN A 71 30.331 3.155 26.820 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.820 5.169 25.397 1.00 0.00 H ATOM 1061 HB3 ASN A 71 31.825 5.162 26.865 1.00 0.00 H ATOM 1062 HD22 ASN A 71 31.943 6.100 23.807 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.649 5.700 23.389 1.00 0.00 H ATOM 1064 H ASN A 71 33.265 2.730 26.725 1.00 0.00 H ATOM 1065 N CYS A 72 30.748 1.195 24.890 1.00 9.75 N ATOM 1066 CA CYS A 72 30.315 0.466 23.699 1.00 8.22 C ATOM 1067 C CYS A 72 28.942 -0.137 23.924 1.00 7.93 C ATOM 1068 O CYS A 72 28.558 -0.442 25.056 1.00 9.95 O ATOM 1069 CB CYS A 72 31.331 -0.619 23.306 1.00 9.45 C ATOM 1070 SG CYS A 72 32.752 0.152 22.475 1.00 10.29 S ATOM 1071 HA CYS A 72 30.255 1.173 22.872 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.858 -1.332 22.631 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.672 -1.139 24.201 1.00 0.00 H ATOM 1074 H CYS A 72 31.023 0.669 25.744 1.00 0.00 H ATOM 1075 N TYR A 73 28.196 -0.276 22.837 1.00 9.66 N ATOM 1076 CA TYR A 73 26.845 -0.802 22.911 1.00 10.54 C ATOM 1077 C TYR A 73 26.571 -1.771 21.785 1.00 9.86 C ATOM 1078 O TYR A 73 26.966 -1.542 20.635 1.00 10.34 O ATOM 1079 CB TYR A 73 25.839 0.353 22.868 1.00 11.65 C ATOM 1080 CG TYR A 73 26.088 1.376 23.949 1.00 9.06 C ATOM 1081 CD1 TYR A 73 27.064 2.356 23.790 1.00 9.48 C ATOM 1082 CD2 TYR A 73 25.425 1.299 25.172 1.00 12.17 C ATOM 1083 CE1 TYR A 73 27.385 3.228 24.818 1.00 13.00 C ATOM 1084 CE2 TYR A 73 25.736 2.165 26.210 1.00 12.77 C ATOM 1085 CZ TYR A 73 26.719 3.126 26.028 1.00 12.16 C ATOM 1086 OH TYR A 73 27.046 3.979 27.057 1.00 16.07 O ATOM 1087 HA TYR A 73 26.739 -1.343 23.851 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.835 -0.052 22.994 1.00 0.00 H ATOM 1089 HB2 TYR A 73 25.912 0.844 21.898 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.650 0.546 25.315 1.00 0.00 H ATOM 1091 HE2 TYR A 73 25.211 2.091 27.162 1.00 0.00 H ATOM 1092 HE1 TYR A 73 28.154 3.987 24.676 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.587 2.439 22.837 1.00 0.00 H ATOM 1094 HH TYR A 73 27.760 4.596 26.758 1.00 0.00 H ATOM 1095 H TYR A 73 28.586 -0.003 21.913 1.00 0.00 H ATOM 1096 N GLN A 74 25.885 -2.854 22.133 1.00 9.76 N ATOM 1097 CA GLN A 74 25.533 -3.904 21.190 1.00 11.19 C ATOM 1098 C GLN A 74 24.050 -3.830 20.840 1.00 11.28 C ATOM 1099 O GLN A 74 23.203 -3.689 21.721 1.00 12.36 O ATOM 1100 CB GLN A 74 25.857 -5.266 21.804 1.00 10.37 C ATOM 1101 CG GLN A 74 25.604 -6.442 20.882 1.00 13.48 C ATOM 1102 CD GLN A 74 26.106 -7.740 21.470 1.00 14.39 C ATOM 1103 OE1 GLN A 74 27.227 -7.811 21.962 1.00 16.37 O ATOM 1104 NE2 GLN A 74 25.279 -8.778 21.415 1.00 14.92 N ATOM 1105 HA GLN A 74 26.111 -3.770 20.275 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.910 -5.272 22.085 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.244 -5.393 22.696 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.532 -6.527 20.705 1.00 0.00 H ATOM 1109 HG3 GLN A 74 26.114 -6.264 19.935 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.337 -8.670 20.988 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.574 -9.699 21.799 1.00 0.00 H ATOM 1112 H GLN A 74 25.586 -2.956 23.124 1.00 0.00 H ATOM 1113 N SER A 75 23.742 -3.917 19.550 1.00 11.82 N ATOM 1114 CA SER A 75 22.353 -3.857 19.106 1.00 12.34 C ATOM 1115 C SER A 75 21.605 -5.110 19.553 1.00 12.96 C ATOM 1116 O SER A 75 22.136 -6.219 19.488 1.00 13.44 O ATOM 1117 CB SER A 75 22.285 -3.721 17.576 1.00 13.44 C ATOM 1118 OG SER A 75 22.802 -4.867 16.915 1.00 13.91 O ATOM 1119 HA SER A 75 21.882 -2.983 19.556 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.865 -2.849 17.274 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.245 -3.584 17.281 1.00 0.00 H ATOM 1122 HG SER A 75 22.276 -5.664 17.178 1.00 0.00 H ATOM 1123 H SER A 75 24.501 -4.029 18.848 1.00 0.00 H ATOM 1124 N TYR A 76 20.375 -4.928 20.022 1.00 13.61 N ATOM 1125 CA TYR A 76 19.564 -6.059 20.461 1.00 14.26 C ATOM 1126 C TYR A 76 19.135 -6.901 19.266 1.00 16.04 C ATOM 1127 O TYR A 76 19.063 -8.124 19.354 1.00 17.32 O ATOM 1128 CB TYR A 76 18.328 -5.570 21.218 1.00 14.15 C ATOM 1129 CG TYR A 76 18.642 -4.990 22.575 1.00 12.81 C ATOM 1130 CD1 TYR A 76 19.305 -5.748 23.536 1.00 13.70 C ATOM 1131 CD2 TYR A 76 18.291 -3.679 22.896 1.00 12.37 C ATOM 1132 CE1 TYR A 76 19.617 -5.213 24.785 1.00 12.38 C ATOM 1133 CE2 TYR A 76 18.597 -3.135 24.144 1.00 12.05 C ATOM 1134 CZ TYR A 76 19.262 -3.910 25.082 1.00 12.37 C ATOM 1135 OH TYR A 76 19.570 -3.378 26.314 1.00 12.77 O ATOM 1136 HA TYR A 76 20.168 -6.673 21.129 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.649 -6.412 21.351 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.838 -4.802 20.619 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.769 -3.069 22.159 1.00 0.00 H ATOM 1140 HE2 TYR A 76 18.315 -2.109 24.380 1.00 0.00 H ATOM 1141 HE1 TYR A 76 20.139 -5.820 25.525 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.585 -6.777 23.308 1.00 0.00 H ATOM 1143 HH TYR A 76 20.155 -2.588 26.194 1.00 0.00 H ATOM 1144 H TYR A 76 19.985 -3.966 20.077 1.00 0.00 H ATOM 1145 N SER A 77 18.854 -6.236 18.152 1.00 18.34 N ATOM 1146 CA SER A 77 18.446 -6.921 16.931 1.00 18.36 C ATOM 1147 C SER A 77 19.647 -7.054 16.006 1.00 18.81 C ATOM 1148 O SER A 77 20.628 -6.313 16.130 1.00 18.01 O ATOM 1149 CB SER A 77 17.356 -6.123 16.210 1.00 21.39 C ATOM 1150 OG SER A 77 16.202 -5.961 17.014 1.00 23.29 O ATOM 1151 HA SER A 77 18.057 -7.905 17.194 1.00 0.00 H ATOM 1152 HB2 SER A 77 17.079 -6.650 15.297 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.749 -5.139 15.955 1.00 0.00 H ATOM 1154 HG SER A 77 15.523 -5.442 16.514 1.00 0.00 H ATOM 1155 H SER A 77 18.927 -5.199 18.150 1.00 0.00 H ATOM 1156 N THR A 78 19.583 -8.006 15.083 1.00 18.03 N ATOM 1157 CA THR A 78 20.672 -8.167 14.137 1.00 17.22 C ATOM 1158 C THR A 78 20.459 -7.093 13.081 1.00 15.95 C ATOM 1159 O THR A 78 19.337 -6.624 12.873 1.00 16.03 O ATOM 1160 CB THR A 78 20.658 -9.550 13.454 1.00 19.12 C ATOM 1161 OG1 THR A 78 19.439 -9.709 12.718 1.00 19.24 O ATOM 1162 CG2 THR A 78 20.778 -10.657 14.488 1.00 20.02 C ATOM 1163 HA THR A 78 21.628 -8.082 14.653 1.00 0.00 H ATOM 1164 HB THR A 78 21.508 -9.614 12.775 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.376 -9.000 12.030 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.706 -10.533 15.046 1.00 0.00 H ATOM 1167 HG21 THR A 78 19.932 -10.606 15.173 1.00 0.00 H ATOM 1168 HG22 THR A 78 20.782 -11.624 13.985 1.00 0.00 H ATOM 1169 H THR A 78 18.755 -8.634 15.038 1.00 0.00 H ATOM 1170 N MET A 79 21.542 -6.689 12.430 1.00 12.89 N ATOM 1171 CA MET A 79 21.465 -5.667 11.402 1.00 11.69 C ATOM 1172 C MET A 79 22.135 -6.125 10.124 1.00 11.86 C ATOM 1173 O MET A 79 23.067 -6.931 10.152 1.00 12.13 O ATOM 1174 CB MET A 79 22.131 -4.377 11.888 1.00 11.45 C ATOM 1175 CG MET A 79 21.392 -3.700 13.019 1.00 12.15 C ATOM 1176 SD MET A 79 22.087 -2.094 13.405 1.00 13.70 S ATOM 1177 CE MET A 79 20.773 -1.420 14.423 1.00 14.83 C ATOM 1178 HA MET A 79 20.411 -5.481 11.196 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.138 -4.617 12.229 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.189 -3.682 11.050 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.449 -4.331 13.906 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.348 -3.573 12.732 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.852 -1.376 13.842 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.625 -2.059 15.293 1.00 0.00 H ATOM 1185 HE3 MET A 79 21.047 -0.417 14.750 1.00 0.00 H ATOM 1186 H MET A 79 22.464 -7.112 12.660 1.00 0.00 H ATOM 1187 N SER A 80 21.638 -5.616 9.002 1.00 12.63 N ATOM 1188 CA SER A 80 22.200 -5.933 7.696 1.00 13.37 C ATOM 1189 C SER A 80 23.487 -5.124 7.552 1.00 13.18 C ATOM 1190 O SER A 80 23.473 -3.899 7.691 1.00 15.48 O ATOM 1191 CB SER A 80 21.215 -5.540 6.595 1.00 14.25 C ATOM 1192 OG SER A 80 21.780 -5.725 5.309 1.00 14.95 O ATOM 1193 HA SER A 80 22.399 -7.001 7.609 1.00 0.00 H ATOM 1194 HB2 SER A 80 20.945 -4.491 6.717 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.320 -6.156 6.682 1.00 0.00 H ATOM 1196 HG SER A 80 21.120 -5.463 4.619 1.00 0.00 H ATOM 1197 H SER A 80 20.823 -4.972 9.058 1.00 0.00 H ATOM 1198 N ILE A 81 24.596 -5.809 7.288 1.00 12.84 N ATOM 1199 CA ILE A 81 25.880 -5.132 7.138 1.00 13.09 C ATOM 1200 C ILE A 81 26.706 -5.737 6.014 1.00 14.71 C ATOM 1201 O ILE A 81 26.394 -6.810 5.497 1.00 15.33 O ATOM 1202 CB ILE A 81 26.724 -5.221 8.435 1.00 13.54 C ATOM 1203 CG1 ILE A 81 27.129 -6.676 8.694 1.00 13.88 C ATOM 1204 CG2 ILE A 81 25.933 -4.674 9.617 1.00 14.67 C ATOM 1205 CD1 ILE A 81 28.075 -6.859 9.869 1.00 14.32 C ATOM 1206 HA ILE A 81 25.645 -4.092 6.911 1.00 0.00 H ATOM 1207 HB ILE A 81 27.625 -4.620 8.313 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.225 -7.253 8.889 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.617 -7.060 7.798 1.00 0.00 H ATOM 1210 HD11 ILE A 81 28.992 -6.299 9.686 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.598 -6.492 10.778 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.311 -7.917 9.983 1.00 0.00 H ATOM 1213 HG21 ILE A 81 25.676 -3.632 9.429 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.021 -5.258 9.744 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.538 -4.743 10.521 1.00 0.00 H ATOM 1216 H ILE A 81 24.547 -6.843 7.187 1.00 0.00 H ATOM 1217 N THR A 82 27.763 -5.029 5.635 1.00 13.81 N ATOM 1218 CA THR A 82 28.676 -5.500 4.603 1.00 13.34 C ATOM 1219 C THR A 82 30.083 -5.268 5.118 1.00 14.63 C ATOM 1220 O THR A 82 30.459 -4.138 5.442 1.00 14.72 O ATOM 1221 CB THR A 82 28.497 -4.738 3.275 1.00 15.03 C ATOM 1222 OG1 THR A 82 27.205 -5.033 2.729 1.00 14.67 O ATOM 1223 CG2 THR A 82 29.573 -5.151 2.272 1.00 15.85 C ATOM 1224 HA THR A 82 28.476 -6.552 4.400 1.00 0.00 H ATOM 1225 HB THR A 82 28.586 -3.669 3.469 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.505 -4.751 3.370 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.557 -4.928 2.684 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.494 -6.220 2.076 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.433 -4.598 1.343 1.00 0.00 H ATOM 1230 H THR A 82 27.944 -4.111 6.089 1.00 0.00 H ATOM 1231 N ASP A 83 30.850 -6.346 5.222 1.00 14.15 N ATOM 1232 CA ASP A 83 32.221 -6.245 5.689 1.00 15.79 C ATOM 1233 C ASP A 83 33.152 -6.148 4.497 1.00 15.14 C ATOM 1234 O ASP A 83 32.977 -6.846 3.496 1.00 14.75 O ATOM 1235 CB ASP A 83 32.600 -7.460 6.537 1.00 17.82 C ATOM 1236 CG ASP A 83 31.886 -7.478 7.869 1.00 19.39 C ATOM 1237 OD1 ASP A 83 31.957 -6.460 8.583 1.00 19.19 O ATOM 1238 OD2 ASP A 83 31.258 -8.502 8.207 1.00 22.19 O ATOM 1239 HA ASP A 83 32.313 -5.352 6.307 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.340 -8.365 5.988 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.675 -7.441 6.716 1.00 0.00 H ATOM 1242 H ASP A 83 30.463 -7.277 4.965 1.00 0.00 H ATOM 1243 N CYS A 84 34.127 -5.253 4.607 1.00 14.13 N ATOM 1244 CA CYS A 84 35.116 -5.056 3.563 1.00 16.19 C ATOM 1245 C CYS A 84 36.472 -5.418 4.141 1.00 17.60 C ATOM 1246 O CYS A 84 36.912 -4.841 5.138 1.00 16.78 O ATOM 1247 CB CYS A 84 35.131 -3.604 3.103 1.00 14.62 C ATOM 1248 SG CYS A 84 33.586 -3.038 2.323 1.00 14.46 S ATOM 1249 HA CYS A 84 34.877 -5.681 2.702 1.00 0.00 H ATOM 1250 HB2 CYS A 84 35.940 -3.484 2.382 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.324 -2.974 3.971 1.00 0.00 H ATOM 1252 H CYS A 84 34.184 -4.674 5.469 1.00 0.00 H ATOM 1253 N ARG A 85 37.126 -6.388 3.516 1.00 19.62 N ATOM 1254 CA ARG A 85 38.434 -6.831 3.967 1.00 21.71 C ATOM 1255 C ARG A 85 39.436 -6.753 2.822 1.00 21.94 C ATOM 1256 O ARG A 85 39.219 -7.330 1.760 1.00 21.57 O ATOM 1257 CB ARG A 85 38.352 -8.268 4.476 1.00 24.86 C ATOM 1258 CG ARG A 85 39.679 -8.802 5.012 1.00 31.57 C ATOM 1259 CD ARG A 85 39.966 -10.189 4.492 1.00 35.54 C ATOM 1260 NE ARG A 85 39.731 -10.280 3.052 1.00 39.51 N ATOM 1261 CZ ARG A 85 40.388 -11.103 2.243 1.00 40.32 C ATOM 1262 NH1 ARG A 85 40.102 -11.128 0.950 1.00 41.71 N ATOM 1263 NH2 ARG A 85 41.342 -11.891 2.727 1.00 41.70 N ATOM 1264 HA ARG A 85 38.764 -6.180 4.777 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.615 -8.309 5.278 1.00 0.00 H ATOM 1266 HB3 ARG A 85 38.029 -8.907 3.654 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.482 -8.133 4.701 1.00 0.00 H ATOM 1268 HG3 ARG A 85 39.635 -8.833 6.101 1.00 0.00 H ATOM 1269 HD2 ARG A 85 39.317 -10.901 5.003 1.00 0.00 H ATOM 1270 HD3 ARG A 85 41.007 -10.436 4.698 1.00 0.00 H ATOM 1271 HE ARG A 85 39.005 -9.663 2.636 1.00 0.00 H ATOM 1272 HH12 ARG A 85 40.616 -11.772 0.316 1.00 0.00 H ATOM 1273 HH11 ARG A 85 39.363 -10.503 0.569 1.00 0.00 H ATOM 1274 HH22 ARG A 85 41.856 -12.535 2.093 1.00 0.00 H ATOM 1275 HH21 ARG A 85 41.575 -11.864 3.740 1.00 0.00 H ATOM 1276 H ARG A 85 36.693 -6.841 2.686 1.00 0.00 H ATOM 1277 N GLU A 86 40.531 -6.033 3.040 1.00 22.68 N ATOM 1278 CA GLU A 86 41.556 -5.892 2.009 1.00 23.63 C ATOM 1279 C GLU A 86 42.099 -7.260 1.598 1.00 24.51 C ATOM 1280 O GLU A 86 42.350 -8.114 2.446 1.00 25.23 O ATOM 1281 CB GLU A 86 42.699 -4.994 2.512 1.00 24.04 C ATOM 1282 CG GLU A 86 43.945 -4.999 1.633 1.00 24.31 C ATOM 1283 CD GLU A 86 44.915 -3.887 1.989 1.00 23.68 C ATOM 1284 OE1 GLU A 86 45.249 -3.736 3.184 1.00 26.65 O ATOM 1285 OE2 GLU A 86 45.347 -3.165 1.068 1.00 22.79 O ATOM 1286 HA GLU A 86 41.102 -5.425 1.135 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.328 -3.971 2.570 1.00 0.00 H ATOM 1288 HB3 GLU A 86 42.984 -5.332 3.508 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.452 -5.956 1.751 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.640 -4.877 0.594 1.00 0.00 H ATOM 1291 H GLU A 86 40.660 -5.563 3.959 1.00 0.00 H ATOM 1292 N THR A 87 42.271 -7.469 0.295 1.00 25.04 N ATOM 1293 CA THR A 87 42.788 -8.740 -0.198 1.00 26.53 C ATOM 1294 C THR A 87 44.292 -8.825 0.033 1.00 28.06 C ATOM 1295 O THR A 87 44.940 -7.833 0.377 1.00 27.76 O ATOM 1296 CB THR A 87 42.515 -8.919 -1.704 1.00 26.47 C ATOM 1297 OG1 THR A 87 43.207 -7.902 -2.435 1.00 25.84 O ATOM 1298 CG2 THR A 87 41.019 -8.829 -1.994 1.00 26.80 C ATOM 1299 HA THR A 87 42.275 -9.529 0.352 1.00 0.00 H ATOM 1300 HB THR A 87 42.870 -9.903 -2.011 1.00 0.00 H ATOM 1301 HG1 THR A 87 43.032 -8.016 -3.403 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.495 -9.605 -1.436 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.650 -7.849 -1.691 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.848 -8.969 -3.061 1.00 0.00 H ATOM 1305 H THR A 87 42.033 -6.715 -0.381 1.00 0.00 H ATOM 1306 N GLY A 88 44.843 -10.017 -0.161 1.00 29.52 N ATOM 1307 CA GLY A 88 46.266 -10.204 0.041 1.00 31.08 C ATOM 1308 C GLY A 88 47.124 -9.571 -1.037 1.00 31.66 C ATOM 1309 O GLY A 88 48.242 -9.137 -0.766 1.00 32.22 O ATOM 1310 HA3 GLY A 88 46.473 -11.274 0.062 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.538 -9.764 1.000 1.00 0.00 H ATOM 1312 H GLY A 88 44.252 -10.819 -0.459 1.00 0.00 H ATOM 1313 N SER A 89 46.603 -9.511 -2.258 1.00 32.12 N ATOM 1314 CA SER A 89 47.345 -8.934 -3.373 1.00 32.41 C ATOM 1315 C SER A 89 47.063 -7.444 -3.546 1.00 32.33 C ATOM 1316 O SER A 89 47.545 -6.817 -4.491 1.00 32.64 O ATOM 1317 CB SER A 89 47.011 -9.678 -4.668 1.00 33.50 C ATOM 1318 OG SER A 89 45.634 -9.573 -4.980 1.00 34.59 O ATOM 1319 HA SER A 89 48.405 -9.044 -3.146 1.00 0.00 H ATOM 1320 HB2 SER A 89 47.270 -10.730 -4.550 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.594 -9.251 -5.484 1.00 0.00 H ATOM 1322 HG SER A 89 45.394 -8.619 -5.093 1.00 0.00 H ATOM 1323 H SER A 89 45.646 -9.883 -2.422 1.00 0.00 H ATOM 1324 N SER A 90 46.280 -6.880 -2.631 1.00 30.81 N ATOM 1325 CA SER A 90 45.943 -5.462 -2.684 1.00 29.53 C ATOM 1326 C SER A 90 47.181 -4.604 -2.448 1.00 28.90 C ATOM 1327 O SER A 90 47.908 -4.803 -1.475 1.00 29.12 O ATOM 1328 CB SER A 90 44.885 -5.129 -1.628 1.00 28.25 C ATOM 1329 OG SER A 90 44.633 -3.734 -1.584 1.00 26.98 O ATOM 1330 HA SER A 90 45.546 -5.246 -3.676 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.239 -5.459 -0.651 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.960 -5.651 -1.873 1.00 0.00 H ATOM 1333 HG SER A 90 45.470 -3.256 -1.358 1.00 0.00 H ATOM 1334 H SER A 90 45.899 -7.464 -1.859 1.00 0.00 H ATOM 1335 N LYS A 91 47.416 -3.651 -3.343 1.00 29.12 N ATOM 1336 CA LYS A 91 48.563 -2.761 -3.222 1.00 29.51 C ATOM 1337 C LYS A 91 48.183 -1.306 -3.464 1.00 28.48 C ATOM 1338 O LYS A 91 47.786 -0.930 -4.568 1.00 29.40 O ATOM 1339 CB LYS A 91 49.666 -3.167 -4.206 1.00 30.78 C ATOM 1340 CG LYS A 91 50.439 -4.419 -3.814 1.00 31.88 C ATOM 1341 CD LYS A 91 51.134 -4.238 -2.472 1.00 33.64 C ATOM 1342 CE LYS A 91 52.121 -5.361 -2.197 1.00 35.30 C ATOM 1343 NZ LYS A 91 51.495 -6.707 -2.282 1.00 35.76 N ATOM 1344 HA LYS A 91 48.930 -2.853 -2.200 1.00 0.00 H ATOM 1345 HB2 LYS A 91 49.206 -3.342 -5.179 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.373 -2.341 -4.283 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.747 -5.258 -3.746 1.00 0.00 H ATOM 1348 HG3 LYS A 91 51.188 -4.629 -4.578 1.00 0.00 H ATOM 1349 HD2 LYS A 91 51.670 -3.289 -2.476 1.00 0.00 H ATOM 1350 HD3 LYS A 91 50.382 -4.226 -1.683 1.00 0.00 H ATOM 1351 HE2 LYS A 91 52.530 -5.229 -1.195 1.00 0.00 H ATOM 1352 HE3 LYS A 91 52.927 -5.304 -2.928 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 50.729 -6.776 -1.582 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 51.108 -6.848 -3.237 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 52.212 -7.434 -2.086 1.00 0.00 H ATOM 1356 H LYS A 91 46.767 -3.538 -4.148 1.00 0.00 H ATOM 1357 N TYR A 92 48.306 -0.497 -2.417 1.00 28.62 N ATOM 1358 CA TYR A 92 48.002 0.928 -2.483 1.00 28.70 C ATOM 1359 C TYR A 92 48.720 1.511 -3.701 1.00 29.38 C ATOM 1360 O TYR A 92 49.835 1.100 -4.020 1.00 29.06 O ATOM 1361 CB TYR A 92 48.502 1.608 -1.207 1.00 29.28 C ATOM 1362 CG TYR A 92 48.265 3.099 -1.141 1.00 29.58 C ATOM 1363 CD1 TYR A 92 47.011 3.616 -0.821 1.00 29.92 C ATOM 1364 CD2 TYR A 92 49.304 3.996 -1.388 1.00 30.53 C ATOM 1365 CE1 TYR A 92 46.798 4.992 -0.746 1.00 30.78 C ATOM 1366 CE2 TYR A 92 49.102 5.369 -1.316 1.00 30.81 C ATOM 1367 CZ TYR A 92 47.849 5.861 -0.994 1.00 31.89 C ATOM 1368 OH TYR A 92 47.656 7.221 -0.915 1.00 30.68 O ATOM 1369 HA TYR A 92 46.928 1.090 -2.572 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.575 1.432 -1.128 1.00 0.00 H ATOM 1371 HB2 TYR A 92 47.997 1.147 -0.358 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.292 3.613 -1.642 1.00 0.00 H ATOM 1373 HE2 TYR A 92 49.926 6.055 -1.512 1.00 0.00 H ATOM 1374 HE1 TYR A 92 45.812 5.382 -0.494 1.00 0.00 H ATOM 1375 HD1 TYR A 92 46.183 2.934 -0.626 1.00 0.00 H ATOM 1376 HH TYR A 92 46.713 7.406 -0.677 1.00 0.00 H ATOM 1377 H TYR A 92 48.632 -0.896 -1.514 1.00 0.00 H ATOM 1378 N PRO A 93 48.094 2.474 -4.397 1.00 29.90 N ATOM 1379 CA PRO A 93 46.774 3.056 -4.136 1.00 30.71 C ATOM 1380 C PRO A 93 45.617 2.238 -4.710 1.00 31.48 C ATOM 1381 O PRO A 93 44.455 2.609 -4.553 1.00 32.56 O ATOM 1382 CB PRO A 93 46.879 4.425 -4.790 1.00 30.53 C ATOM 1383 CG PRO A 93 47.678 4.114 -6.011 1.00 30.46 C ATOM 1384 CD PRO A 93 48.777 3.212 -5.476 1.00 29.96 C ATOM 1385 HA PRO A 93 46.544 3.091 -3.071 1.00 0.00 H ATOM 1386 HD3 PRO A 93 49.140 2.534 -6.248 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.611 3.796 -5.086 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.093 5.021 -6.450 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.073 3.596 -6.755 1.00 0.00 H ATOM 1390 HB2 PRO A 93 45.896 4.820 -5.047 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.397 5.135 -4.146 1.00 0.00 H ATOM 1392 N ASN A 94 45.937 1.136 -5.381 1.00 31.67 N ATOM 1393 CA ASN A 94 44.909 0.281 -5.969 1.00 32.07 C ATOM 1394 C ASN A 94 44.384 -0.698 -4.926 1.00 30.55 C ATOM 1395 O ASN A 94 44.585 -1.907 -5.030 1.00 31.43 O ATOM 1396 CB ASN A 94 45.474 -0.494 -7.162 1.00 34.05 C ATOM 1397 CG ASN A 94 45.953 0.416 -8.274 1.00 35.98 C ATOM 1398 OD1 ASN A 94 46.913 1.169 -8.107 1.00 38.46 O ATOM 1399 ND2 ASN A 94 45.281 0.354 -9.419 1.00 37.22 N ATOM 1400 HA ASN A 94 44.091 0.914 -6.314 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.314 -1.099 -6.820 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.694 -1.146 -7.556 1.00 0.00 H ATOM 1403 HD22 ASN A 94 44.476 -0.297 -9.515 1.00 0.00 H ATOM 1404 HD21 ASN A 94 45.560 0.957 -10.219 1.00 0.00 H ATOM 1405 H ASN A 94 46.939 0.878 -5.489 1.00 0.00 H ATOM 1406 N CYS A 95 43.701 -0.165 -3.921 1.00 28.77 N ATOM 1407 CA CYS A 95 43.162 -0.988 -2.851 1.00 26.34 C ATOM 1408 C CYS A 95 42.077 -1.947 -3.332 1.00 24.45 C ATOM 1409 O CYS A 95 41.101 -1.538 -3.961 1.00 25.51 O ATOM 1410 CB CYS A 95 42.620 -0.091 -1.740 1.00 25.77 C ATOM 1411 SG CYS A 95 43.852 1.088 -1.095 1.00 27.34 S ATOM 1412 HA CYS A 95 43.977 -1.604 -2.471 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.283 -0.723 -0.918 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.774 0.473 -2.133 1.00 0.00 H ATOM 1415 H CYS A 95 43.548 0.863 -3.898 1.00 0.00 H ATOM 1416 N ALA A 96 42.266 -3.229 -3.034 1.00 22.39 N ATOM 1417 CA ALA A 96 41.317 -4.266 -3.425 1.00 20.93 C ATOM 1418 C ALA A 96 40.685 -4.869 -2.180 1.00 19.93 C ATOM 1419 O ALA A 96 41.363 -5.099 -1.181 1.00 18.80 O ATOM 1420 CB ALA A 96 42.024 -5.348 -4.227 1.00 22.31 C ATOM 1421 HA ALA A 96 40.539 -3.824 -4.047 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.462 -4.907 -5.123 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.811 -5.794 -3.619 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.305 -6.116 -4.512 1.00 0.00 H ATOM 1425 H ALA A 96 43.119 -3.502 -2.505 1.00 0.00 H ATOM 1426 N TYR A 97 39.386 -5.140 -2.256 1.00 19.65 N ATOM 1427 CA TYR A 97 38.657 -5.695 -1.123 1.00 18.86 C ATOM 1428 C TYR A 97 37.725 -6.840 -1.461 1.00 18.39 C ATOM 1429 O TYR A 97 37.234 -6.957 -2.580 1.00 19.58 O ATOM 1430 CB TYR A 97 37.800 -4.617 -0.457 1.00 16.39 C ATOM 1431 CG TYR A 97 38.576 -3.489 0.151 1.00 14.55 C ATOM 1432 CD1 TYR A 97 39.035 -2.432 -0.629 1.00 16.03 C ATOM 1433 CD2 TYR A 97 38.883 -3.496 1.507 1.00 16.41 C ATOM 1434 CE1 TYR A 97 39.784 -1.405 -0.070 1.00 15.92 C ATOM 1435 CE2 TYR A 97 39.630 -2.483 2.073 1.00 15.43 C ATOM 1436 CZ TYR A 97 40.078 -1.441 1.282 1.00 16.82 C ATOM 1437 OH TYR A 97 40.825 -0.437 1.846 1.00 17.78 O ATOM 1438 HA TYR A 97 39.440 -6.077 -0.468 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.212 -5.088 0.330 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.130 -4.202 -1.210 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.528 -4.315 2.133 1.00 0.00 H ATOM 1442 HE2 TYR A 97 39.865 -2.504 3.137 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.136 -0.580 -0.689 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.803 -2.410 -1.694 1.00 0.00 H ATOM 1445 HH TYR A 97 41.650 -0.820 2.236 1.00 0.00 H ATOM 1446 H TYR A 97 38.879 -4.952 -3.144 1.00 0.00 H ATOM 1447 N LYS A 98 37.479 -7.673 -0.460 1.00 19.78 N ATOM 1448 CA LYS A 98 36.547 -8.777 -0.592 1.00 19.93 C ATOM 1449 C LYS A 98 35.283 -8.239 0.069 1.00 20.10 C ATOM 1450 O LYS A 98 35.348 -7.662 1.158 1.00 20.81 O ATOM 1451 CB LYS A 98 37.051 -10.002 0.166 1.00 20.52 C ATOM 1452 CG LYS A 98 36.036 -11.130 0.267 1.00 24.46 C ATOM 1453 CD LYS A 98 36.678 -12.393 0.828 1.00 28.79 C ATOM 1454 CE LYS A 98 37.312 -12.160 2.197 1.00 30.97 C ATOM 1455 NZ LYS A 98 36.314 -11.723 3.209 1.00 33.30 N ATOM 1456 HA LYS A 98 36.402 -9.092 -1.625 1.00 0.00 H ATOM 1457 HB2 LYS A 98 37.935 -10.382 -0.346 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.321 -9.693 1.176 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.223 -10.821 0.924 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.639 -11.342 -0.725 1.00 0.00 H ATOM 1461 HD2 LYS A 98 35.913 -13.164 0.922 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.450 -12.731 0.137 1.00 0.00 H ATOM 1463 HE2 LYS A 98 38.078 -11.390 2.103 1.00 0.00 H ATOM 1464 HE3 LYS A 98 37.771 -13.089 2.535 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 35.875 -10.833 2.899 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 35.582 -12.455 3.311 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 36.789 -11.577 4.122 1.00 0.00 H ATOM 1468 H LYS A 98 37.968 -7.531 0.447 1.00 0.00 H ATOM 1469 N THR A 99 34.146 -8.412 -0.593 1.00 17.84 N ATOM 1470 CA THR A 99 32.868 -7.934 -0.076 1.00 16.82 C ATOM 1471 C THR A 99 32.057 -9.090 0.499 1.00 18.04 C ATOM 1472 O THR A 99 31.786 -10.069 -0.194 1.00 18.75 O ATOM 1473 CB THR A 99 32.048 -7.255 -1.197 1.00 16.27 C ATOM 1474 OG1 THR A 99 32.750 -6.099 -1.677 1.00 16.67 O ATOM 1475 CG2 THR A 99 30.684 -6.832 -0.681 1.00 16.19 C ATOM 1476 HA THR A 99 33.077 -7.209 0.711 1.00 0.00 H ATOM 1477 HB THR A 99 31.913 -7.971 -2.008 1.00 0.00 H ATOM 1478 HG1 THR A 99 33.631 -6.374 -2.035 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.148 -7.708 -0.315 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.810 -6.116 0.131 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.118 -6.369 -1.490 1.00 0.00 H ATOM 1482 H THR A 99 34.166 -8.904 -1.509 1.00 0.00 H ATOM 1483 N THR A 100 31.667 -8.976 1.766 1.00 18.41 N ATOM 1484 CA THR A 100 30.888 -10.031 2.402 1.00 18.25 C ATOM 1485 C THR A 100 29.705 -9.495 3.198 1.00 18.64 C ATOM 1486 O THR A 100 29.874 -8.757 4.169 1.00 19.29 O ATOM 1487 CB THR A 100 31.764 -10.879 3.343 1.00 19.73 C ATOM 1488 OG1 THR A 100 32.919 -11.339 2.631 1.00 22.02 O ATOM 1489 CG2 THR A 100 30.984 -12.085 3.852 1.00 20.75 C ATOM 1490 HA THR A 100 30.506 -10.645 1.587 1.00 0.00 H ATOM 1491 HB THR A 100 32.065 -10.263 4.191 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.438 -10.560 2.308 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.103 -11.743 4.395 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.675 -12.700 3.006 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.618 -12.672 4.517 1.00 0.00 H ATOM 1496 H THR A 100 31.921 -8.125 2.308 1.00 0.00 H ATOM 1497 N GLN A 101 28.505 -9.883 2.782 1.00 18.33 N ATOM 1498 CA GLN A 101 27.285 -9.461 3.454 1.00 18.20 C ATOM 1499 C GLN A 101 27.006 -10.345 4.660 1.00 17.00 C ATOM 1500 O GLN A 101 27.366 -11.524 4.683 1.00 18.40 O ATOM 1501 CB GLN A 101 26.092 -9.539 2.502 1.00 20.35 C ATOM 1502 CG GLN A 101 24.755 -9.262 3.177 1.00 26.08 C ATOM 1503 CD GLN A 101 24.600 -7.816 3.603 1.00 26.34 C ATOM 1504 OE1 GLN A 101 23.662 -7.463 4.321 1.00 23.89 O ATOM 1505 NE2 GLN A 101 25.515 -6.967 3.151 1.00 27.09 N ATOM 1506 HA GLN A 101 27.426 -8.430 3.780 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.236 -8.806 1.708 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.060 -10.539 2.070 1.00 0.00 H ATOM 1509 HG2 GLN A 101 23.955 -9.507 2.479 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.672 -9.896 4.060 1.00 0.00 H ATOM 1511 HE22 GLN A 101 26.289 -7.310 2.547 1.00 0.00 H ATOM 1512 HE21 GLN A 101 25.457 -5.959 3.400 1.00 0.00 H ATOM 1513 H GLN A 101 28.435 -10.506 1.952 1.00 0.00 H ATOM 1514 N ALA A 102 26.353 -9.770 5.661 1.00 16.19 N ATOM 1515 CA ALA A 102 26.005 -10.511 6.862 1.00 16.20 C ATOM 1516 C ALA A 102 24.866 -9.837 7.615 1.00 14.40 C ATOM 1517 O ALA A 102 24.505 -8.690 7.340 1.00 15.00 O ATOM 1518 CB ALA A 102 27.231 -10.643 7.774 1.00 18.12 C ATOM 1519 HA ALA A 102 25.672 -11.504 6.561 1.00 0.00 H ATOM 1520 HB1 ALA A 102 28.022 -11.173 7.243 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.582 -9.650 8.055 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.957 -11.200 8.670 1.00 0.00 H ATOM 1523 H ALA A 102 26.084 -8.768 5.585 1.00 0.00 H ATOM 1524 N ASN A 103 24.293 -10.577 8.554 1.00 14.80 N ATOM 1525 CA ASN A 103 23.213 -10.083 9.396 1.00 15.00 C ATOM 1526 C ASN A 103 23.646 -10.441 10.803 1.00 16.46 C ATOM 1527 O ASN A 103 23.490 -11.579 11.246 1.00 18.12 O ATOM 1528 CB ASN A 103 21.899 -10.773 9.037 1.00 17.26 C ATOM 1529 CG ASN A 103 21.337 -10.289 7.720 1.00 18.82 C ATOM 1530 OD1 ASN A 103 20.789 -9.188 7.632 1.00 20.90 O ATOM 1531 ND2 ASN A 103 21.479 -11.102 6.683 1.00 21.28 N ATOM 1532 HA ASN A 103 23.039 -9.014 9.276 1.00 0.00 H ATOM 1533 HB2 ASN A 103 22.074 -11.847 8.970 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.171 -10.573 9.824 1.00 0.00 H ATOM 1535 HD22 ASN A 103 21.948 -12.022 6.804 1.00 0.00 H ATOM 1536 HD21 ASN A 103 21.121 -10.820 5.748 1.00 0.00 H ATOM 1537 H ASN A 103 24.629 -11.551 8.695 1.00 0.00 H ATOM 1538 N LYS A 104 24.219 -9.461 11.492 1.00 14.52 N ATOM 1539 CA LYS A 104 24.722 -9.677 12.842 1.00 15.32 C ATOM 1540 C LYS A 104 24.448 -8.489 13.750 1.00 13.95 C ATOM 1541 O LYS A 104 23.986 -7.440 13.304 1.00 14.94 O ATOM 1542 CB LYS A 104 26.232 -9.919 12.797 1.00 17.02 C ATOM 1543 CG LYS A 104 26.669 -11.150 12.021 1.00 18.82 C ATOM 1544 CD LYS A 104 28.184 -11.220 11.953 1.00 20.43 C ATOM 1545 CE LYS A 104 28.657 -12.519 11.326 1.00 21.76 C ATOM 1546 NZ LYS A 104 30.149 -12.594 11.299 1.00 22.37 N ATOM 1547 HA LYS A 104 24.202 -10.546 13.246 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.700 -9.048 12.338 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.587 -10.023 13.822 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.290 -12.042 12.519 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.265 -11.100 11.010 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.550 -10.385 11.356 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.587 -11.147 12.963 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.279 -12.580 10.305 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.269 -13.356 11.906 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.525 -11.800 10.742 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.515 -12.541 12.271 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.442 -13.493 10.865 1.00 0.00 H ATOM 1559 H LYS A 104 24.311 -8.520 11.059 1.00 0.00 H ATOM 1560 N HIS A 105 24.727 -8.665 15.036 1.00 14.37 N ATOM 1561 CA HIS A 105 24.545 -7.590 15.997 1.00 13.10 C ATOM 1562 C HIS A 105 25.785 -6.729 15.853 1.00 13.73 C ATOM 1563 O HIS A 105 26.882 -7.251 15.669 1.00 17.19 O ATOM 1564 CB HIS A 105 24.485 -8.142 17.424 1.00 14.73 C ATOM 1565 CG HIS A 105 23.368 -9.111 17.654 1.00 17.19 C ATOM 1566 ND1 HIS A 105 22.063 -8.713 17.850 1.00 19.28 N ATOM 1567 CD2 HIS A 105 23.360 -10.464 17.700 1.00 20.25 C ATOM 1568 CE1 HIS A 105 21.299 -9.780 18.006 1.00 18.62 C ATOM 1569 NE2 HIS A 105 22.061 -10.854 17.920 1.00 20.65 N ATOM 1570 HA HIS A 105 23.619 -7.044 15.817 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.427 -8.647 17.636 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.360 -7.305 18.111 1.00 0.00 H ATOM 1573 HD2 HIS A 105 24.222 -11.121 17.584 1.00 0.00 H ATOM 1574 HE1 HIS A 105 20.222 -9.774 18.177 1.00 0.00 H ATOM 1575 H HIS A 105 25.082 -9.587 15.361 1.00 0.00 H ATOM 1576 N ILE A 106 25.622 -5.416 15.907 1.00 12.42 N ATOM 1577 CA ILE A 106 26.783 -4.548 15.802 1.00 11.84 C ATOM 1578 C ILE A 106 27.117 -3.981 17.174 1.00 11.08 C ATOM 1579 O ILE A 106 26.254 -3.892 18.052 1.00 11.47 O ATOM 1580 CB ILE A 106 26.553 -3.379 14.804 1.00 12.97 C ATOM 1581 CG1 ILE A 106 25.469 -2.432 15.323 1.00 13.70 C ATOM 1582 CG2 ILE A 106 26.171 -3.938 13.442 1.00 14.92 C ATOM 1583 CD1 ILE A 106 25.348 -1.138 14.527 1.00 14.12 C ATOM 1584 HA ILE A 106 27.611 -5.148 15.424 1.00 0.00 H ATOM 1585 HB ILE A 106 27.477 -2.809 14.706 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.511 -2.951 15.283 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.701 -2.179 16.358 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.295 -0.599 14.566 1.00 0.00 H ATOM 1589 HD12 ILE A 106 25.104 -1.372 13.491 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.559 -0.521 14.957 1.00 0.00 H ATOM 1591 HG21 ILE A 106 26.975 -4.576 13.074 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.255 -4.522 13.534 1.00 0.00 H ATOM 1593 HG23 ILE A 106 26.011 -3.115 12.745 1.00 0.00 H ATOM 1594 H ILE A 106 24.672 -5.010 16.023 1.00 0.00 H ATOM 1595 N ILE A 107 28.383 -3.628 17.361 1.00 10.61 N ATOM 1596 CA ILE A 107 28.849 -3.032 18.606 1.00 9.36 C ATOM 1597 C ILE A 107 29.530 -1.722 18.227 1.00 10.46 C ATOM 1598 O ILE A 107 30.500 -1.717 17.475 1.00 11.07 O ATOM 1599 CB ILE A 107 29.868 -3.938 19.342 1.00 8.32 C ATOM 1600 CG1 ILE A 107 29.195 -5.252 19.756 1.00 10.35 C ATOM 1601 CG2 ILE A 107 30.405 -3.216 20.581 1.00 10.48 C ATOM 1602 CD1 ILE A 107 30.141 -6.244 20.425 1.00 11.40 C ATOM 1603 HA ILE A 107 28.006 -2.888 19.281 1.00 0.00 H ATOM 1604 HB ILE A 107 30.697 -4.160 18.670 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.389 -5.021 20.453 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.779 -5.721 18.864 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.948 -6.496 19.737 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.558 -5.795 21.327 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.591 -7.148 20.688 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.897 -2.292 20.277 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.578 -2.984 21.252 1.00 0.00 H ATOM 1612 HG23 ILE A 107 31.121 -3.859 21.093 1.00 0.00 H ATOM 1613 H ILE A 107 29.066 -3.782 16.592 1.00 0.00 H ATOM 1614 N VAL A 108 29.005 -0.612 18.730 1.00 9.73 N ATOM 1615 CA VAL A 108 29.581 0.692 18.429 1.00 10.04 C ATOM 1616 C VAL A 108 29.946 1.440 19.700 1.00 8.20 C ATOM 1617 O VAL A 108 29.392 1.175 20.761 1.00 10.27 O ATOM 1618 CB VAL A 108 28.593 1.573 17.623 1.00 10.95 C ATOM 1619 CG1 VAL A 108 28.301 0.923 16.286 1.00 12.19 C ATOM 1620 CG2 VAL A 108 27.296 1.778 18.411 1.00 12.60 C ATOM 1621 HA VAL A 108 30.477 0.505 17.838 1.00 0.00 H ATOM 1622 HB VAL A 108 29.047 2.549 17.451 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.229 0.815 15.725 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.858 -0.059 16.450 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.606 1.547 15.724 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.833 0.810 18.605 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.521 2.270 19.357 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.614 2.399 17.830 1.00 0.00 H ATOM 1629 H VAL A 108 28.171 -0.674 19.348 1.00 0.00 H ATOM 1630 N ALA A 109 30.912 2.350 19.590 1.00 8.09 N ATOM 1631 CA ALA A 109 31.309 3.180 20.720 1.00 10.23 C ATOM 1632 C ALA A 109 30.537 4.484 20.538 1.00 10.39 C ATOM 1633 O ALA A 109 30.441 4.993 19.421 1.00 10.61 O ATOM 1634 CB ALA A 109 32.808 3.451 20.686 1.00 11.82 C ATOM 1635 HA ALA A 109 31.095 2.699 21.674 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.348 2.505 20.735 1.00 0.00 H ATOM 1637 HB2 ALA A 109 33.061 3.968 19.761 1.00 0.00 H ATOM 1638 HB3 ALA A 109 33.083 4.072 21.538 1.00 0.00 H ATOM 1639 H ALA A 109 31.394 2.471 18.677 1.00 0.00 H ATOM 1640 N CYS A 110 29.984 5.019 21.623 1.00 10.26 N ATOM 1641 CA CYS A 110 29.218 6.264 21.546 1.00 10.54 C ATOM 1642 C CYS A 110 29.810 7.344 22.444 1.00 11.28 C ATOM 1643 O CYS A 110 30.305 7.054 23.528 1.00 11.36 O ATOM 1644 CB CYS A 110 27.765 6.019 21.952 1.00 12.70 C ATOM 1645 SG CYS A 110 26.919 4.745 20.967 1.00 12.45 S ATOM 1646 HA CYS A 110 29.262 6.608 20.513 1.00 0.00 H ATOM 1647 HB2 CYS A 110 27.217 6.955 21.843 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.749 5.710 22.997 1.00 0.00 H ATOM 1649 H CYS A 110 30.098 4.545 22.542 1.00 0.00 H ATOM 1650 N GLU A 111 29.742 8.591 21.981 1.00 12.29 N ATOM 1651 CA GLU A 111 30.263 9.735 22.725 1.00 12.45 C ATOM 1652 C GLU A 111 29.472 10.993 22.405 1.00 12.46 C ATOM 1653 O GLU A 111 28.725 11.041 21.427 1.00 13.46 O ATOM 1654 CB GLU A 111 31.727 10.011 22.364 1.00 12.08 C ATOM 1655 CG GLU A 111 32.740 9.002 22.883 1.00 12.98 C ATOM 1656 CD GLU A 111 34.176 9.367 22.527 1.00 19.81 C ATOM 1657 OE1 GLU A 111 35.104 8.772 23.115 1.00 23.35 O ATOM 1658 OE2 GLU A 111 34.385 10.233 21.652 1.00 20.57 O ATOM 1659 HA GLU A 111 30.177 9.486 23.783 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.805 10.034 21.277 1.00 0.00 H ATOM 1661 HB3 GLU A 111 31.992 10.989 22.767 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.653 8.948 23.968 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.512 8.027 22.453 1.00 0.00 H ATOM 1664 H GLU A 111 29.301 8.757 21.054 1.00 0.00 H ATOM 1665 N GLY A 112 29.658 12.003 23.249 1.00 11.59 N ATOM 1666 CA GLY A 112 29.039 13.302 23.060 1.00 13.21 C ATOM 1667 C GLY A 112 27.607 13.561 23.465 1.00 14.84 C ATOM 1668 O GLY A 112 26.918 12.715 24.031 1.00 14.52 O ATOM 1669 HA3 GLY A 112 29.101 13.520 21.994 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.649 14.017 23.612 1.00 0.00 H ATOM 1671 H GLY A 112 30.271 11.857 24.077 1.00 0.00 H ATOM 1672 N ASN A 113 27.181 14.785 23.173 1.00 16.29 N ATOM 1673 CA ASN A 113 25.827 15.243 23.437 1.00 17.20 C ATOM 1674 C ASN A 113 25.380 15.987 22.184 1.00 17.89 C ATOM 1675 O ASN A 113 25.845 17.095 21.914 1.00 19.98 O ATOM 1676 CB ASN A 113 25.793 16.186 24.640 1.00 18.85 C ATOM 1677 CG ASN A 113 24.429 16.807 24.845 1.00 21.68 C ATOM 1678 OD1 ASN A 113 23.414 16.108 24.856 1.00 23.20 O ATOM 1679 ND2 ASN A 113 24.397 18.124 25.014 1.00 26.09 N ATOM 1680 HA ASN A 113 25.172 14.403 23.668 1.00 0.00 H ATOM 1681 HB2 ASN A 113 26.060 15.623 25.534 1.00 0.00 H ATOM 1682 HB3 ASN A 113 26.521 16.982 24.482 1.00 0.00 H ATOM 1683 HD22 ASN A 113 25.281 18.672 24.997 1.00 0.00 H ATOM 1684 HD21 ASN A 113 23.488 18.607 25.164 1.00 0.00 H ATOM 1685 H ASN A 113 27.850 15.449 22.733 1.00 0.00 H ATOM 1686 N PRO A 114 24.464 15.391 21.404 1.00 18.88 N ATOM 1687 CA PRO A 114 23.831 14.087 21.626 1.00 17.13 C ATOM 1688 C PRO A 114 24.793 12.900 21.631 1.00 15.08 C ATOM 1689 O PRO A 114 25.853 12.934 21.000 1.00 13.40 O ATOM 1690 CB PRO A 114 22.813 14.008 20.491 1.00 18.69 C ATOM 1691 CG PRO A 114 23.499 14.739 19.391 1.00 18.16 C ATOM 1692 CD PRO A 114 24.054 15.952 20.104 1.00 18.31 C ATOM 1693 HA PRO A 114 23.391 14.019 22.621 1.00 0.00 H ATOM 1694 HD3 PRO A 114 24.906 16.370 19.568 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.291 16.721 20.228 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.795 15.028 18.610 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.297 14.138 18.955 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.613 12.973 20.212 1.00 0.00 H ATOM 1699 HB3 PRO A 114 21.878 14.496 20.766 1.00 0.00 H ATOM 1700 N TYR A 115 24.403 11.858 22.359 1.00 13.98 N ATOM 1701 CA TYR A 115 25.189 10.634 22.489 1.00 12.63 C ATOM 1702 C TYR A 115 24.959 9.810 21.231 1.00 10.81 C ATOM 1703 O TYR A 115 23.912 9.184 21.070 1.00 13.09 O ATOM 1704 CB TYR A 115 24.718 9.870 23.723 1.00 12.47 C ATOM 1705 CG TYR A 115 25.714 8.886 24.289 1.00 11.65 C ATOM 1706 CD1 TYR A 115 27.002 9.294 24.640 1.00 12.05 C ATOM 1707 CD2 TYR A 115 25.345 7.567 24.549 1.00 11.90 C ATOM 1708 CE1 TYR A 115 27.896 8.414 25.248 1.00 11.87 C ATOM 1709 CE2 TYR A 115 26.233 6.677 25.158 1.00 11.19 C ATOM 1710 CZ TYR A 115 27.502 7.112 25.507 1.00 11.34 C ATOM 1711 OH TYR A 115 28.362 6.247 26.144 1.00 12.61 O ATOM 1712 HA TYR A 115 26.251 10.851 22.603 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.815 9.321 23.456 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.483 10.597 24.500 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.348 7.225 24.273 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.930 5.649 25.357 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.898 8.748 25.518 1.00 0.00 H ATOM 1718 HD1 TYR A 115 27.314 10.318 24.435 1.00 0.00 H ATOM 1719 HH TYR A 115 27.960 5.954 27.000 1.00 0.00 H ATOM 1720 H TYR A 115 23.494 11.917 22.860 1.00 0.00 H ATOM 1721 N VAL A 116 25.945 9.805 20.344 1.00 13.06 N ATOM 1722 CA VAL A 116 25.824 9.093 19.080 1.00 12.77 C ATOM 1723 C VAL A 116 27.038 8.219 18.777 1.00 12.18 C ATOM 1724 O VAL A 116 28.070 8.315 19.439 1.00 11.64 O ATOM 1725 CB VAL A 116 25.619 10.092 17.919 1.00 14.50 C ATOM 1726 CG1 VAL A 116 24.262 10.777 18.061 1.00 15.09 C ATOM 1727 CG2 VAL A 116 26.731 11.130 17.927 1.00 15.40 C ATOM 1728 HA VAL A 116 24.957 8.439 19.175 1.00 0.00 H ATOM 1729 HB VAL A 116 25.647 9.552 16.972 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.473 10.026 18.035 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.224 11.313 19.010 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.124 11.480 17.240 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.716 11.670 18.874 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.693 10.631 17.807 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.579 11.830 17.106 1.00 0.00 H ATOM 1736 H VAL A 116 26.823 10.321 20.556 1.00 0.00 H ATOM 1737 N PRO A 117 26.927 7.345 17.766 1.00 12.51 N ATOM 1738 CA PRO A 117 28.047 6.467 17.415 1.00 11.86 C ATOM 1739 C PRO A 117 29.233 7.243 16.843 1.00 12.56 C ATOM 1740 O PRO A 117 29.052 8.127 16.006 1.00 13.91 O ATOM 1741 CB PRO A 117 27.437 5.527 16.375 1.00 12.75 C ATOM 1742 CG PRO A 117 25.972 5.533 16.708 1.00 12.88 C ATOM 1743 CD PRO A 117 25.715 6.976 17.011 1.00 13.53 C ATOM 1744 HA PRO A 117 28.458 5.945 18.279 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.622 7.563 16.098 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.817 7.101 17.615 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.762 4.905 17.574 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.374 5.195 15.862 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.608 5.900 15.365 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.853 4.524 16.466 1.00 0.00 H ATOM 1751 N VAL A 118 30.440 6.911 17.292 1.00 12.65 N ATOM 1752 CA VAL A 118 31.644 7.569 16.792 1.00 11.95 C ATOM 1753 C VAL A 118 32.700 6.553 16.350 1.00 12.33 C ATOM 1754 O VAL A 118 33.722 6.922 15.780 1.00 13.68 O ATOM 1755 CB VAL A 118 32.267 8.517 17.851 1.00 11.43 C ATOM 1756 CG1 VAL A 118 31.322 9.672 18.138 1.00 12.37 C ATOM 1757 CG2 VAL A 118 32.568 7.754 19.132 1.00 13.16 C ATOM 1758 HA VAL A 118 31.331 8.159 15.930 1.00 0.00 H ATOM 1759 HB VAL A 118 33.201 8.916 17.456 1.00 0.00 H ATOM 1760 HG11 VAL A 118 31.143 10.230 17.219 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.378 9.282 18.518 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.770 10.330 18.882 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.644 7.335 19.529 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.271 6.949 18.917 1.00 0.00 H ATOM 1765 HG23 VAL A 118 33.004 8.433 19.864 1.00 0.00 H ATOM 1766 H VAL A 118 30.528 6.168 18.014 1.00 0.00 H ATOM 1767 N HIS A 119 32.442 5.273 16.605 1.00 12.29 N ATOM 1768 CA HIS A 119 33.378 4.215 16.229 1.00 12.42 C ATOM 1769 C HIS A 119 32.661 2.876 16.122 1.00 12.13 C ATOM 1770 O HIS A 119 31.772 2.572 16.913 1.00 13.14 O ATOM 1771 CB HIS A 119 34.509 4.139 17.269 1.00 14.84 C ATOM 1772 CG HIS A 119 35.231 2.824 17.311 1.00 17.27 C ATOM 1773 ND1 HIS A 119 36.159 2.448 16.363 1.00 20.88 N ATOM 1774 CD2 HIS A 119 35.184 1.814 18.213 1.00 18.72 C ATOM 1775 CE1 HIS A 119 36.657 1.266 16.682 1.00 18.70 C ATOM 1776 NE2 HIS A 119 36.082 0.859 17.800 1.00 20.00 N ATOM 1777 HA HIS A 119 33.803 4.447 15.253 1.00 0.00 H ATOM 1778 HB2 HIS A 119 35.235 4.919 17.040 1.00 0.00 H ATOM 1779 HB3 HIS A 119 34.079 4.323 18.254 1.00 0.00 H ATOM 1780 HD2 HIS A 119 34.552 1.768 19.100 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.413 0.720 16.119 1.00 0.00 H ATOM 1782 H HIS A 119 31.554 5.019 17.083 1.00 0.00 H ATOM 1783 N PHE A 120 33.040 2.086 15.121 1.00 11.47 N ATOM 1784 CA PHE A 120 32.450 0.769 14.929 1.00 10.59 C ATOM 1785 C PHE A 120 33.437 -0.198 15.569 1.00 10.98 C ATOM 1786 O PHE A 120 34.570 -0.311 15.117 1.00 11.57 O ATOM 1787 CB PHE A 120 32.311 0.457 13.439 1.00 10.71 C ATOM 1788 CG PHE A 120 31.529 -0.793 13.157 1.00 10.40 C ATOM 1789 CD1 PHE A 120 30.156 -0.739 12.927 1.00 11.10 C ATOM 1790 CD2 PHE A 120 32.162 -2.032 13.151 1.00 11.64 C ATOM 1791 CE1 PHE A 120 29.424 -1.909 12.696 1.00 12.02 C ATOM 1792 CE2 PHE A 120 31.439 -3.206 12.920 1.00 11.52 C ATOM 1793 CZ PHE A 120 30.070 -3.144 12.693 1.00 11.47 C ATOM 1794 HA PHE A 120 31.454 0.701 15.366 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.808 1.295 12.957 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.309 0.342 13.016 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.236 -2.088 13.329 1.00 0.00 H ATOM 1798 HE2 PHE A 120 31.949 -4.169 12.918 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.503 -4.058 12.513 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.350 -1.855 12.519 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.647 0.225 12.927 1.00 0.00 H ATOM 1802 H PHE A 120 33.773 2.416 14.462 1.00 0.00 H ATOM 1803 N ASP A 121 33.018 -0.889 16.624 1.00 9.34 N ATOM 1804 CA ASP A 121 33.920 -1.797 17.316 1.00 10.09 C ATOM 1805 C ASP A 121 33.948 -3.214 16.761 1.00 11.51 C ATOM 1806 O ASP A 121 35.024 -3.799 16.604 1.00 12.61 O ATOM 1807 CB ASP A 121 33.571 -1.821 18.805 1.00 10.47 C ATOM 1808 CG ASP A 121 34.772 -2.106 19.680 1.00 11.87 C ATOM 1809 OD1 ASP A 121 35.832 -1.471 19.453 1.00 12.54 O ATOM 1810 OD2 ASP A 121 34.652 -2.941 20.601 1.00 11.66 O ATOM 1811 HA ASP A 121 34.925 -1.406 17.155 1.00 0.00 H ATOM 1812 HB2 ASP A 121 33.159 -0.851 19.083 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.823 -2.595 18.976 1.00 0.00 H ATOM 1814 H ASP A 121 32.039 -0.780 16.957 1.00 0.00 H ATOM 1815 N ALA A 122 32.778 -3.772 16.472 1.00 12.71 N ATOM 1816 CA ALA A 122 32.716 -5.126 15.944 1.00 13.31 C ATOM 1817 C ALA A 122 31.302 -5.580 15.636 1.00 12.85 C ATOM 1818 O ALA A 122 30.333 -4.873 15.888 1.00 12.42 O ATOM 1819 CB ALA A 122 33.339 -6.090 16.940 1.00 17.12 C ATOM 1820 HA ALA A 122 33.269 -5.123 15.005 1.00 0.00 H ATOM 1821 HB1 ALA A 122 34.380 -5.814 17.109 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.792 -6.042 17.881 1.00 0.00 H ATOM 1823 HB3 ALA A 122 33.291 -7.103 16.542 1.00 0.00 H ATOM 1824 H ALA A 122 31.899 -3.237 16.624 1.00 0.00 H ATOM 1825 N SER A 123 31.206 -6.770 15.058 1.00 13.74 N ATOM 1826 CA SER A 123 29.926 -7.390 14.751 1.00 14.54 C ATOM 1827 C SER A 123 30.016 -8.763 15.408 1.00 13.45 C ATOM 1828 O SER A 123 31.086 -9.372 15.422 1.00 15.63 O ATOM 1829 CB SER A 123 29.726 -7.532 13.237 1.00 15.05 C ATOM 1830 OG SER A 123 30.713 -8.358 12.647 1.00 19.55 O ATOM 1831 HA SER A 123 29.084 -6.799 15.111 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.776 -6.543 12.781 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.744 -7.968 13.051 1.00 0.00 H ATOM 1834 HG SER A 123 30.548 -8.423 11.673 1.00 0.00 H ATOM 1835 H SER A 123 32.079 -7.280 14.815 1.00 0.00 H ATOM 1836 N VAL A 124 28.910 -9.244 15.968 1.00 15.51 N ATOM 1837 CA VAL A 124 28.908 -10.547 16.627 1.00 17.38 C ATOM 1838 C VAL A 124 27.653 -11.356 16.321 1.00 18.39 C ATOM 1839 O VAL A 124 26.671 -10.764 15.835 1.00 19.38 O ATOM 1840 CB VAL A 124 29.025 -10.399 18.162 1.00 17.02 C ATOM 1841 CG1 VAL A 124 30.385 -9.826 18.533 1.00 17.55 C ATOM 1842 CG2 VAL A 124 27.913 -9.499 18.680 1.00 17.37 C ATOM 1843 HA VAL A 124 29.774 -11.078 16.232 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.663 -12.575 16.588 1.00 20.58 O ATOM 1845 HB VAL A 124 28.927 -11.382 18.622 1.00 0.00 H ATOM 1846 HG11 VAL A 124 31.169 -10.495 18.178 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.504 -8.847 18.070 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.453 -9.727 19.616 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.996 -8.516 18.215 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.947 -9.938 18.433 1.00 0.00 H ATOM 1851 HG23 VAL A 124 28.002 -9.400 19.762 1.00 0.00 H ATOM 1852 H VAL A 124 28.034 -8.684 15.936 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 21.411 -12.205 26.700 1.00 30.59 O HETATM 1855 O HOH 2 22.070 -9.664 27.856 1.00 19.75 O HETATM 1856 O HOH 3 24.185 -7.232 29.705 1.00 33.19 O HETATM 1857 O HOH 4 25.131 -4.840 29.812 1.00 27.75 O HETATM 1858 O HOH 5 22.433 -4.669 29.775 1.00 20.06 O HETATM 1859 O HOH 6 21.027 -11.529 21.486 1.00 47.11 O HETATM 1860 O HOH 7 22.443 -8.484 21.069 1.00 20.56 O HETATM 1861 O HOH 8 23.053 -9.541 24.131 1.00 40.04 O HETATM 1862 O HOH 9 27.171 -9.872 24.801 1.00 34.78 O HETATM 1863 O HOH 10 29.226 -9.525 22.733 1.00 17.88 O HETATM 1864 O HOH 11 32.288 -6.903 25.108 1.00 11.60 O HETATM 1865 O HOH 12 33.247 -4.903 21.903 1.00 11.63 O HETATM 1866 O HOH 13 37.524 -0.495 21.196 1.00 13.38 O HETATM 1867 O HOH 14 39.679 -0.373 19.541 1.00 26.73 O HETATM 1868 O HOH 15 40.945 2.583 20.313 1.00 44.46 O HETATM 1869 O HOH 16 39.997 2.165 15.960 1.00 31.86 O HETATM 1870 O HOH 17 40.159 5.940 10.840 1.00 36.99 O HETATM 1871 O HOH 18 38.763 8.393 6.525 1.00 36.69 O HETATM 1872 O HOH 19 40.057 14.225 2.689 1.00 45.91 O HETATM 1873 O HOH 20 36.345 12.538 3.409 1.00 40.29 O HETATM 1874 O HOH 21 34.559 14.590 4.643 1.00 38.11 O HETATM 1875 O HOH 22 31.697 13.944 6.301 1.00 31.28 O HETATM 1876 O HOH 23 29.342 12.238 6.985 1.00 23.84 O HETATM 1877 O HOH 24 23.791 12.804 7.797 1.00 41.39 O HETATM 1878 O HOH 25 23.170 13.100 10.890 1.00 23.07 O HETATM 1879 O HOH 26 25.786 14.980 13.063 1.00 34.17 O HETATM 1880 O HOH 27 26.952 13.490 11.206 1.00 29.39 O HETATM 1881 O HOH 28 27.567 17.136 11.275 1.00 41.20 O HETATM 1882 O HOH 29 30.276 17.519 10.378 1.00 24.92 O HETATM 1883 O HOH 30 33.384 18.544 6.143 1.00 40.60 O HETATM 1884 O HOH 31 36.986 12.796 14.342 1.00 37.89 O HETATM 1885 O HOH 32 36.297 14.633 16.697 1.00 31.16 O HETATM 1886 O HOH 33 33.936 15.786 16.623 1.00 23.76 O HETATM 1887 O HOH 34 30.697 14.181 16.843 1.00 17.81 O HETATM 1888 O HOH 35 29.641 12.837 19.232 1.00 17.60 O HETATM 1889 O HOH 36 27.370 14.477 19.459 1.00 20.22 O HETATM 1890 O HOH 37 28.374 16.920 19.694 1.00 31.37 O HETATM 1891 O HOH 38 32.166 13.279 19.905 1.00 23.85 O HETATM 1892 O HOH 39 37.691 7.969 23.066 1.00 44.28 O HETATM 1893 O HOH 40 40.573 6.182 23.196 1.00 34.20 O HETATM 1894 O HOH 41 35.017 6.143 22.139 1.00 16.63 O HETATM 1895 O HOH 42 36.002 3.593 23.175 1.00 13.69 O HETATM 1896 O HOH 43 36.227 1.942 21.152 1.00 18.83 O HETATM 1897 O HOH 44 35.679 6.008 26.153 1.00 25.01 O HETATM 1898 O HOH 45 31.266 7.959 26.106 1.00 12.72 O HETATM 1899 O HOH 46 30.547 4.472 29.524 1.00 26.83 O HETATM 1900 O HOH 47 31.347 -1.453 29.541 1.00 27.23 O HETATM 1901 O HOH 48 30.784 -6.254 29.166 1.00 21.28 O HETATM 1902 O HOH 49 26.891 -10.059 28.827 1.00 31.38 O HETATM 1903 O HOH 50 25.454 0.661 31.629 1.00 22.94 O HETATM 1904 O HOH 51 24.029 1.932 29.565 1.00 27.44 O HETATM 1905 O HOH 52 22.235 1.729 27.593 1.00 22.89 O HETATM 1906 O HOH 53 23.062 4.587 26.863 1.00 22.58 O HETATM 1907 O HOH 54 20.691 6.515 21.598 1.00 28.16 O HETATM 1908 O HOH 55 22.481 8.229 19.024 1.00 20.89 O HETATM 1909 O HOH 56 18.584 9.413 16.771 1.00 26.54 O HETATM 1910 O HOH 57 17.349 6.795 17.099 1.00 18.69 O HETATM 1911 O HOH 58 17.948 0.092 16.741 1.00 18.17 O HETATM 1912 O HOH 59 14.204 3.984 10.970 1.00 35.25 O HETATM 1913 O HOH 60 16.730 0.198 9.576 1.00 16.95 O HETATM 1914 O HOH 61 17.854 1.189 5.741 1.00 29.17 O HETATM 1915 O HOH 62 18.183 -0.275 2.581 1.00 44.33 O HETATM 1916 O HOH 63 21.610 -3.011 -3.696 1.00 43.85 O HETATM 1917 O HOH 64 24.652 -8.941 -0.435 1.00 24.81 O HETATM 1918 O HOH 65 24.030 -8.714 -5.549 1.00 25.94 O HETATM 1919 O HOH 66 29.116 -3.364 -9.039 1.00 23.35 O HETATM 1920 O HOH 67 31.475 -0.541 -12.049 1.00 46.48 O HETATM 1921 O HOH 68 33.420 2.004 -9.884 1.00 35.08 O HETATM 1922 O HOH 69 35.544 3.084 -8.054 1.00 32.89 O HETATM 1923 O HOH 70 30.656 3.735 -4.454 1.00 43.36 O HETATM 1924 O HOH 71 28.420 1.483 -9.091 1.00 42.77 O HETATM 1925 O HOH 72 35.537 -4.280 -8.268 1.00 31.60 O HETATM 1926 O HOH 73 34.845 -5.464 -3.490 1.00 18.58 O HETATM 1927 O HOH 74 34.306 -9.404 -3.274 1.00 23.51 O HETATM 1928 O HOH 75 32.281 -11.502 -3.184 1.00 32.18 O HETATM 1929 O HOH 76 38.293 -7.385 -5.044 1.00 35.09 O HETATM 1930 O HOH 77 43.624 -7.956 -5.107 1.00 38.61 O HETATM 1931 O HOH 78 45.970 -4.020 -5.823 1.00 32.04 O HETATM 1932 O HOH 79 41.044 2.400 -3.531 1.00 32.33 O HETATM 1933 O HOH 80 39.060 0.382 -3.117 1.00 25.03 O HETATM 1934 O HOH 81 38.435 10.261 -3.270 1.00 45.06 O HETATM 1935 O HOH 82 50.179 6.711 5.036 1.00 41.49 O HETATM 1936 O HOH 83 52.017 0.187 -2.294 1.00 32.37 O HETATM 1937 O HOH 84 46.648 -1.411 4.064 1.00 26.10 O HETATM 1938 O HOH 85 47.676 -1.686 6.542 1.00 37.89 O HETATM 1939 O HOH 86 45.492 -5.719 4.886 1.00 34.49 O HETATM 1940 O HOH 87 40.757 -1.389 9.499 1.00 22.71 O HETATM 1941 O HOH 88 38.761 -5.481 15.616 1.00 40.72 O HETATM 1942 O HOH 89 37.479 -2.894 16.298 1.00 25.01 O HETATM 1943 O HOH 90 34.028 -7.832 14.235 1.00 22.70 O HETATM 1944 O HOH 91 33.562 -10.057 16.625 1.00 22.07 O HETATM 1945 O HOH 92 31.383 -11.501 13.481 1.00 26.18 O HETATM 1946 O HOH 93 30.950 -10.059 10.352 1.00 29.65 O HETATM 1947 O HOH 94 30.546 -10.362 6.504 1.00 23.20 O HETATM 1948 O HOH 95 33.156 -11.492 6.814 1.00 28.83 O HETATM 1949 O HOH 96 34.812 -9.531 3.419 1.00 22.27 O HETATM 1950 O HOH 97 46.683 -12.084 -7.204 1.00 48.47 O HETATM 1951 O HOH 98 33.104 -8.856 -9.901 1.00 22.79 O HETATM 1952 O HOH 99 27.800 -13.848 6.215 1.00 42.82 O HETATM 1953 O HOH 100 25.107 -13.465 8.555 1.00 24.92 O HETATM 1954 O HOH 101 22.952 -13.736 7.020 1.00 32.54 O HETATM 1955 O HOH 102 23.257 -11.751 4.574 1.00 44.15 O HETATM 1956 O HOH 103 19.328 -8.272 10.066 1.00 28.52 O HETATM 1957 O HOH 104 17.814 -6.203 9.230 1.00 28.17 O HETATM 1958 O HOH 105 16.956 -7.822 12.804 1.00 34.48 O HETATM 1959 O HOH 106 17.311 -9.846 15.137 1.00 34.71 O HETATM 1960 O HOH 107 17.369 -10.323 9.270 1.00 34.04 O HETATM 1961 O HOH 108 24.272 -12.213 15.363 1.00 26.20 O HETATM 1962 O HOH 109 26.961 -14.170 14.459 1.00 28.27 O HETATM 1963 O HOH 110 30.509 -13.560 17.405 1.00 26.73 O HETATM 1964 O HOH 111 32.002 -6.733 11.114 1.00 23.19 O HETATM 1965 O HOH 112 34.909 3.521 13.380 1.00 20.03 O HETATM 1966 O HOH 113 34.218 8.756 14.090 1.00 18.36 O HETATM 1967 O HOH 114 27.348 8.994 13.933 1.00 13.12 O HETATM 1968 O HOH 115 25.105 10.665 13.749 1.00 14.99 O HETATM 1969 O HOH 116 24.273 8.251 7.677 1.00 23.49 O HETATM 1970 O HOH 117 21.943 6.891 7.178 1.00 22.83 O HETATM 1971 O HOH 118 23.824 6.135 4.488 1.00 19.55 O HETATM 1972 O HOH 119 23.717 5.596 1.355 1.00 32.35 O HETATM 1973 O HOH 120 14.382 -1.830 12.148 1.00 34.68 O HETATM 1974 O HOH 121 18.282 -3.395 18.107 1.00 18.37 O HETATM 1975 O HOH 122 29.095 -12.029 21.558 1.00 22.43 O HETATM 1976 O HOH 123 28.993 -3.607 30.622 1.00 50.24 O HETATM 1977 O HOH 124 18.838 -0.822 26.774 1.00 15.99 O HETATM 1978 O HOH 125 16.413 10.833 17.286 1.00 43.76 O HETATM 1979 O HOH 126 21.510 17.128 22.569 1.00 39.91 O HETATM 1980 O HOH 127 25.378 13.163 26.358 1.00 19.96 O HETATM 1981 O HOH 128 40.969 -6.478 22.630 1.00 20.74 O HETATM 1982 O HOH 129 51.759 1.130 12.506 1.00 45.89 O HETATM 1983 O HOH 130 36.466 10.141 15.233 1.00 33.31 O HETATM 1984 O HOH 131 28.761 -1.125 -5.633 1.00 30.34 O HETATM 1985 O HOH 132 26.805 8.517 -1.193 1.00 34.05 O HETATM 1986 O HOH 133 28.941 6.358 -1.224 1.00 31.25 O HETATM 1987 O HOH 134 47.018 11.114 -1.515 1.00 45.30 O HETATM 1988 O HOH 135 48.640 10.229 2.518 1.00 39.62 O HETATM 1989 O HOH 136 40.029 -8.324 20.752 1.00 39.69 O HETATM 1990 O HOH 137 43.968 -2.281 18.295 1.00 38.86 O HETATM 1991 O HOH 138 43.614 -0.160 25.507 1.00 37.78 O HETATM 1992 O HOH 139 37.854 0.811 31.409 1.00 31.06 O HETATM 1993 O HOH 140 36.528 0.333 33.719 1.00 30.27 O HETATM 1994 O HOH 141 34.804 -1.602 33.504 1.00 19.79 O HETATM 1995 O HOH 142 38.717 -0.633 34.869 1.00 29.33 O HETATM 1996 O HOH 143 49.995 -6.960 0.000 1.00 30.52 O HETATM 1997 O HOH 144 29.966 -12.737 7.943 1.00 29.18 O HETATM 1998 O HOH 145 18.858 -8.635 5.715 1.00 31.04 O HETATM 1999 O HOH 146 21.857 -9.488 4.056 1.00 38.78 O HETATM 2000 O HOH 147 34.132 11.437 19.454 1.00 24.76 O HETATM 2001 O HOH 148 29.210 16.751 22.334 1.00 27.00 O HETATM 2002 O HOH 149 28.144 18.836 23.226 1.00 26.80 O HETATM 2003 O HOH 150 21.869 12.350 23.834 1.00 24.80 O HETATM 2004 O HOH 151 20.512 10.158 18.694 1.00 32.89 O HETATM 2005 O HOH 152 26.394 14.709 16.815 1.00 20.73 O HETATM 2006 O HOH 153 25.025 13.166 15.108 1.00 20.56 O HETATM 2007 O HOH 154 22.455 13.864 15.689 1.00 21.47 O HETATM 2008 O HOH 155 23.808 16.683 16.274 1.00 42.81 O HETATM 2009 O HOH 156 35.782 5.826 19.503 1.00 33.08 O HETATM 2010 O HOH 157 49.700 3.873 8.547 1.00 39.46 O HETATM 2011 O HOH 158 32.724 -0.784 35.230 1.00 31.99 O HETATM 2012 O HOH 159 36.662 14.249 12.285 1.00 37.94 O HETATM 2013 O HOH 160 32.853 15.876 19.093 1.00 27.47 O HETATM 2014 O HOH 161 47.070 -4.188 7.066 1.00 37.79 O HETATM 2015 O HOH 162 42.390 0.456 10.470 1.00 30.33 O HETATM 2016 O HOH 163 25.147 -13.170 3.607 1.00 33.00 O HETATM 2017 O HOH 164 36.080 -6.135 15.608 1.00 26.46 O HETATM 2018 O HOH 165 47.575 -1.311 14.248 1.00 41.22 O HETATM 2019 O HOH 166 39.899 -4.670 13.493 1.00 33.51 O HETATM 2020 O HOH 167 41.483 -3.812 11.460 1.00 30.21 O HETATM 2021 O HOH 168 34.067 6.227 12.450 1.00 18.97 O HETATM 2022 O HOH 169 38.499 12.759 10.174 1.00 38.34 O HETATM 2023 O HOH 170 38.016 3.776 19.841 1.00 32.42 O HETATM 2024 O HOH 171 41.521 -2.036 20.812 1.00 37.97 O HETATM 2025 O HOH 172 43.662 0.391 22.042 1.00 40.22 O HETATM 2026 O HOH 173 41.764 2.414 12.116 1.00 31.67 O HETATM 2027 O HOH 174 37.624 18.243 9.104 1.00 40.17 O HETATM 2028 O HOH 175 38.524 23.400 9.028 1.00 42.31 O HETATM 2029 O HOH 176 30.933 16.483 7.572 1.00 38.83 O HETATM 2030 O HOH 177 26.282 11.647 6.234 1.00 35.79 O HETATM 2031 O HOH 178 21.387 12.855 13.152 1.00 24.22 O HETATM 2032 O HOH 179 20.502 6.595 2.668 1.00 27.96 O HETATM 2033 O HOH 180 24.604 -3.092 -0.970 1.00 27.18 O HETATM 2034 O HOH 181 24.890 -2.118 -3.481 1.00 28.19 O HETATM 2035 O HOH 182 26.677 -3.208 -5.151 1.00 27.85 O HETATM 2036 O HOH 183 29.223 1.439 -4.549 1.00 36.90 O HETATM 2037 O HOH 184 18.700 -3.324 5.178 1.00 36.22 O HETATM 2038 O HOH 185 20.155 -4.787 3.438 1.00 32.23 O HETATM 2039 O HOH 186 36.798 9.085 -5.301 1.00 41.78 O HETATM 2040 O HOH 187 35.172 7.273 -6.326 1.00 35.68 O HETATM 2041 O HOH 188 34.232 4.665 -6.314 1.00 34.75 O HETATM 2042 O HOH 189 30.439 8.694 -2.081 1.00 33.36 O HETATM 2043 O HOH 190 17.771 -2.055 12.771 1.00 29.19 O HETATM 2044 O HOH 191 28.964 2.473 30.948 1.00 31.55 O HETATM 2045 O HOH 192 30.981 2.258 32.797 1.00 35.62 O HETATM 2046 O HOH 193 36.734 -9.886 17.818 1.00 39.86 O HETATM 2047 O HOH 194 31.053 -13.103 20.122 1.00 33.10 O HETATM 2048 O HOH 195 32.552 -12.581 15.869 1.00 30.24 O HETATM 2049 O HOH 196 33.175 2.006 35.721 1.00 37.44 O HETATM 2050 O HOH 197 24.668 -13.806 13.022 1.00 36.80 O HETATM 2051 O HOH 198 42.640 -13.524 4.596 1.00 37.65 O HETATM 2052 O HOH 199 46.952 -7.561 -8.703 1.00 43.74 O HETATM 2053 O HOH 200 43.684 5.216 -3.347 1.00 29.21 O HETATM 2054 O HOH 201 40.522 -1.750 -6.630 1.00 37.84 O HETATM 2055 O HOH 202 36.449 -10.409 -4.405 1.00 35.26 O HETATM 2056 O HOH 203 35.524 -10.028 -9.288 1.00 38.74 O HETATM 2057 O HOH 204 21.593 9.183 22.356 1.00 35.63 O HETATM 2058 O HOH 205 42.513 -8.321 18.635 1.00 39.71 O HETATM 2059 O HOH 206 22.260 -13.579 19.775 1.00 34.04 O HETATM 2060 O HOH 207 49.373 8.939 0.309 1.00 33.36 O HETATM 2061 O HOH 208 43.552 -3.639 12.831 1.00 39.39 O HETATM 2062 O HOH 209 37.432 20.792 5.882 1.00 37.80 O HETATM 2063 O HOH 210 27.669 16.115 14.682 1.00 31.11 O HETATM 2064 O HOH 211 30.032 16.775 17.637 1.00 30.61 O HETATM 2065 O HOH 212 40.982 7.705 9.029 1.00 37.62 O HETATM 2066 O HOH 213 24.680 -5.932 0.571 1.00 38.93 O HETATM 2067 O HOH 214 33.736 -7.001 -11.561 1.00 36.25 O HETATM 2068 O HOH 215 26.247 3.446 29.426 1.00 31.89 O HETATM 2069 O HOH 216 31.555 -3.640 30.594 1.00 33.99 O HETATM 2070 O HOH 217 37.743 3.235 31.774 1.00 34.41 O HETATM 2071 O HOH 218 18.767 -11.309 18.121 1.00 35.16 O HETATM 2072 O HOH 219 43.846 -11.549 -3.750 1.00 41.66 O HETATM 2073 O HOH 220 44.657 -11.015 6.300 1.00 41.41 O HETATM 2074 O HOH 221 48.411 -1.259 -7.904 1.00 32.39 O HETATM 2075 O HOH 222 52.114 -1.442 -0.112 1.00 32.28 O HETATM 2076 O HOH 223 25.115 19.349 20.535 1.00 31.00 O HETATM 2077 N1 U A 3 36.467 -2.158 11.965 1.00 -0.16 N HETATM 2078 C2 U A 3 35.309 -2.272 11.203 1.00 0.33 C HETATM 2079 N3 U A 3 34.643 -3.467 11.338 1.00 -0.19 N HETATM 2080 C4 U A 3 35.002 -4.536 12.137 1.00 0.18 C HETATM 2081 C5 U A 3 36.208 -4.346 12.881 1.00 0.01 C HETATM 2082 C6 U A 3 36.885 -3.196 12.771 1.00 0.06 C HETATM 2083 H3 U A 3 37.804 -3.075 13.342 1.00 0.12 H HETATM 2084 H2 U A 3 36.575 -5.135 13.536 1.00 0.03 H HETATM 2085 O4 U A 3 34.285 -5.536 12.169 1.00 -0.41 O HETATM 2086 H1 U A 3 33.807 -3.575 10.799 1.00 0.23 H HETATM 2087 O2 U A 3 34.897 -1.381 10.469 1.00 -0.38 O HETATM 2088 C1' U A 3 37.222 -0.895 11.890 1.00 0.21 C HETATM 2089 O4' U A 3 38.595 -1.195 11.738 1.00 -0.34 O HETATM 2090 C4' U A 3 39.394 -0.217 12.460 1.00 0.12 C HETATM 2091 C5' U A 3 40.334 -0.942 13.398 1.00 0.07 C HETATM 2092 O5' U A 3 39.589 -1.709 14.363 1.00 -0.39 O HETATM 2093 H4 U A 3 39.050 -2.347 13.911 1.00 0.21 H HETATM 2094 H5 U A 3 40.977 -1.619 12.815 1.00 0.06 H HETATM 2095 H6 U A 3 40.959 -0.206 13.925 1.00 0.06 H HETATM 2096 C3' U A 3 38.409 0.744 13.123 1.00 0.15 C HETATM 2097 O3' U A 3 38.239 1.920 12.341 1.00 -0.27 O HETATM 2098 P U A 3 38.472 3.363 13.014 1.00 0.20 P HETATM 2099 O1P U A 3 37.438 3.517 14.122 1.00 -0.55 O HETATM 2100 O2P U A 3 38.321 4.383 11.899 1.00 -0.55 O HETATM 2101 O3P U A 3 39.896 3.226 13.535 1.00 -0.55 O HETATM 2102 C2' U A 3 37.114 -0.062 13.165 1.00 0.14 C HETATM 2103 O2' U A 3 35.955 0.743 13.116 1.00 -0.38 O HETATM 2104 H10 U A 3 35.184 0.189 13.145 1.00 0.21 H HETATM 2105 H9 U A 3 37.077 -0.698 14.062 1.00 0.07 H HETATM 2106 H8 U A 3 38.742 1.017 14.135 1.00 0.07 H HETATM 2107 H7 U A 3 40.007 0.356 11.748 1.00 0.07 H HETATM 2108 H11 U A 3 36.859 -0.309 11.033 1.00 0.10 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 2077 2078 2082 2088 CONECT 2078 2077 2079 2087 CONECT 2079 2078 2080 2086 CONECT 2080 2079 2081 2085 CONECT 2081 2080 2082 2084 CONECT 2082 2077 2081 2083 CONECT 2083 2082 CONECT 2084 2081 CONECT 2085 2080 CONECT 2086 2079 CONECT 2087 2078 CONECT 2088 2077 2089 2102 2108 CONECT 2089 2088 2090 CONECT 2090 2089 2091 2096 2107 CONECT 2091 2090 2092 2094 2095 CONECT 2092 2091 2093 CONECT 2093 2092 CONECT 2094 2091 CONECT 2095 2091 CONECT 2096 2090 2097 2102 2106 CONECT 2097 2096 2098 CONECT 2098 2097 2099 2100 2101 CONECT 2099 2098 CONECT 2100 2098 CONECT 2101 2098 CONECT 2102 2088 2096 2103 2105 CONECT 2103 2102 2104 CONECT 2104 2103 CONECT 2105 2102 CONECT 2106 2096 CONECT 2107 2090 CONECT 2108 2088 MASTER 0 0 0 0 0 0 0 0 2107 1 44 10 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 1o0n
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1afk
RCSB PDB
PDBbind
124aa, >1AFK_1|Chains... at 99%
1afl
RCSB PDB
PDBbind
124aa, >1AFL_1|Chains... at 99%
1dfj
RCSB PDB
PDBbind
124aa, >1DFJ_1|Chain... at 99%
1j7z
RCSB PDB
PDBbind
104aa, >1J7Z_2|Chain... at 99%
1j80
RCSB PDB
PDBbind
104aa, >1J80_2|Chain... at 99%
1j81
RCSB PDB
PDBbind
104aa, >1J81_2|Chain... at 99%
1jn4
RCSB PDB
PDBbind
124aa, >1JN4_1|Chains... at 99%
1jvu
RCSB PDB
PDBbind
124aa, >1JVU_1|Chains... at 99%
1o0f
RCSB PDB
PDBbind
124aa, >1O0F_1|Chains... at 99%
1o0h
RCSB PDB
PDBbind
124aa, >1O0H_1|Chains... at 99%
1o0m
RCSB PDB
PDBbind
124aa, >1O0M_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
124aa, >1RNM_1|Chain... at 99%
1rpf
RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
1w4o
RCSB PDB
PDBbind
124aa, >1W4O_1|Chains... at 99%
1w4p
RCSB PDB
PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
2w5i
RCSB PDB
PDBbind
124aa, >2W5I_1|Chains... at 99%
2xog
RCSB PDB
PDBbind
124aa, >2XOG_1|Chains... at 99%
2xoi
RCSB PDB
PDBbind
124aa, >2XOI_1|Chains... at 99%
3d6o
RCSB PDB
PDBbind
124aa, >3D6O_1|Chains... at 99%
3d6p
RCSB PDB
PDBbind
124aa, >3D6P_1|Chains... at 99%
3d6q
RCSB PDB
PDBbind
124aa, >3D6Q_1|Chains... at 99%
3d7b
RCSB PDB
PDBbind
124aa, >3D7B_1|Chains... at 99%
3d8y
RCSB PDB
PDBbind
124aa, >3D8Y_1|Chains... at 99%
3d8z
RCSB PDB
PDBbind
124aa, >3D8Z_1|Chains... at 99%
3dxg
RCSB PDB
PDBbind
124aa, >3DXG_1|Chains... at 99%
3dxh
RCSB PDB
PDBbind
124aa, >3DXH_1|Chains... at 99%
3lxo
RCSB PDB
PDBbind
124aa, >3LXO_1|Chain... at 99%
4g8v
RCSB PDB
PDBbind
124aa, >4G8V_1|Chains... at 99%
4g8y
RCSB PDB
PDBbind
124aa, >4G8Y_1|Chains... at 99%
4g90
RCSB PDB
PDBbind
124aa, >4G90_1|Chains... at 99%
4peq
RCSB PDB
PDBbind
124aa, >4PEQ_1|Chains... at 99%
4rsk
RCSB PDB
PDBbind
124aa, >4RSK_1|Chain... at 96%
4wyp
RCSB PDB
PDBbind
125aa, >4WYP_1|Chains... *
4wyz
RCSB PDB
PDBbind
125aa, >4WYZ_1|Chains... at 100%
6rsa
RCSB PDB
PDBbind
124aa, >6RSA_1|Chain... at 99%
6pvx
RCSB PDB
PDBbind
124aa, >6PVX_1|Chains... at 99%
6pvw
RCSB PDB
PDBbind
124aa, >6PVW_1|Chains... at 99%
6pvv
RCSB PDB
PDBbind
124aa, >6PVV_1|Chains... at 99%
6pvu
RCSB PDB
PDBbind
124aa, >6PVU_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1n3z
RCSB PDB
PDBbind
U3P
4rsk
RCSB PDB
PDBbind
U3P
4wyz
RCSB PDB
PDBbind
U3P
Entry Information
PDB ID
1o0n
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease a
Ligand Name
U3P
EC.Number
E.C.3.1.27.5
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Ki=82uM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
PROTEIN SCI. v12 pp. 2559-74, 2003
Ligand Properties
Formula
C
9
H
1
4
N
2
O
9
P
Molecular Weight
325.189
Exact Mass
325.044
No. of atoms
35
No. of bonds
36
Polar Surface Area
188.06
LOGP Value
-4.11 (
Computed with XLOGP3
)
-3.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(O)(O)O)O)n1ccc(=O)[nH]c1=O
InChI String
InChI=1S/C9H15N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14,16-18,21H,3H2,(H,10,13,15)/t4-,6-,7-,8-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com