Browse entries in the PDBbind-CN Database
HEADER 2XOI_COMPLEX COMPND 2XOI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET ASP SEQRES 2 A 123 SER SER THR SER ALA ALA SER SER SER ASN TYR CYS ASN SEQRES 3 A 123 GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG CYS SEQRES 4 A 123 LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA ASP SEQRES 5 A 123 VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS LYS SEQRES 6 A 123 ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR MET SEQRES 7 A 123 SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS TYR SEQRES 8 A 123 PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS HIS SEQRES 9 A 123 ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO VAL SEQRES 10 A 123 HIS PHE ASP ALA SER VAL HET SFB A 273 65 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 GLU A 2 35.776 18.642 9.929 1.00 18.41 N ATOM 2 CA GLU A 2 34.866 17.474 10.122 1.00 18.09 C ATOM 3 C GLU A 2 34.733 17.082 11.596 1.00 17.83 C ATOM 4 O GLU A 2 35.736 16.836 12.279 1.00 18.03 O ATOM 5 CB GLU A 2 35.361 16.277 9.303 1.00 18.29 C ATOM 6 CG GLU A 2 34.403 15.089 9.280 1.00 18.80 C ATOM 7 CD GLU A 2 34.951 13.906 8.503 1.00 19.14 C ATOM 8 OE1 GLU A 2 36.120 13.527 8.729 1.00 19.77 O ATOM 9 OE2 GLU A 2 34.203 13.347 7.674 1.00 19.94 O ATOM 10 HA GLU A 2 33.878 17.772 9.772 1.00 0.00 H ATOM 11 HB2 GLU A 2 35.519 16.608 8.277 1.00 0.00 H ATOM 12 HB3 GLU A 2 36.309 15.943 9.726 1.00 0.00 H ATOM 13 HG2 GLU A 2 34.213 14.774 10.306 1.00 0.00 H ATOM 14 HG3 GLU A 2 33.467 15.405 8.819 1.00 0.00 H ATOM 15 HN3 GLU A 2 36.723 18.405 10.288 1.00 0.00 H ATOM 16 HN2 GLU A 2 35.402 19.461 10.449 1.00 0.00 H ATOM 17 HN1 GLU A 2 35.835 18.871 8.916 1.00 0.00 H ATOM 18 N THR A 3 33.491 17.013 12.073 1.00 17.28 N ATOM 19 CA THR A 3 33.206 16.554 13.439 1.00 17.04 C ATOM 20 C THR A 3 33.343 15.032 13.534 1.00 16.56 C ATOM 21 O THR A 3 33.320 14.334 12.515 1.00 16.11 O ATOM 22 CB THR A 3 31.793 16.977 13.937 1.00 17.09 C ATOM 23 OG1 THR A 3 30.777 16.246 13.234 1.00 17.35 O ATOM 24 CG2 THR A 3 31.562 18.482 13.770 1.00 17.62 C ATOM 25 HA THR A 3 33.941 17.036 14.084 1.00 0.00 H ATOM 26 HB THR A 3 31.736 16.744 15.000 1.00 0.00 H ATOM 27 HG1 THR A 3 29.885 16.525 13.561 1.00 0.00 H ATOM 28 HG23 THR A 3 32.337 19.029 14.306 1.00 0.00 H ATOM 29 HG21 THR A 3 31.601 18.739 12.711 1.00 0.00 H ATOM 30 HG22 THR A 3 30.584 18.745 14.174 1.00 0.00 H ATOM 31 H THR A 3 32.699 17.293 11.460 1.00 0.00 H ATOM 32 N ALA A 4 33.484 14.529 14.760 1.00 16.14 N ATOM 33 CA ALA A 4 33.590 13.089 15.012 1.00 15.57 C ATOM 34 C ALA A 4 32.331 12.344 14.571 1.00 15.18 C ATOM 35 O ALA A 4 32.414 11.246 14.015 1.00 15.35 O ATOM 36 CB ALA A 4 33.865 12.831 16.479 1.00 15.55 C ATOM 37 HA ALA A 4 34.423 12.711 14.420 1.00 0.00 H ATOM 38 HB1 ALA A 4 34.801 13.312 16.762 1.00 0.00 H ATOM 39 HB2 ALA A 4 33.050 13.239 17.077 1.00 0.00 H ATOM 40 HB3 ALA A 4 33.941 11.757 16.650 1.00 0.00 H ATOM 41 H ALA A 4 33.520 15.183 15.568 1.00 0.00 H ATOM 42 N ALA A 5 31.172 12.947 14.826 1.00 14.72 N ATOM 43 CA ALA A 5 29.888 12.389 14.405 1.00 14.16 C ATOM 44 C ALA A 5 29.791 12.307 12.884 1.00 13.96 C ATOM 45 O ALA A 5 29.309 11.309 12.344 1.00 13.66 O ATOM 46 CB ALA A 5 28.736 13.210 14.972 1.00 14.26 C ATOM 47 HA ALA A 5 29.819 11.375 14.799 1.00 0.00 H ATOM 48 HB1 ALA A 5 28.786 13.201 16.061 1.00 0.00 H ATOM 49 HB2 ALA A 5 28.811 14.236 14.612 1.00 0.00 H ATOM 50 HB3 ALA A 5 27.789 12.778 14.647 1.00 0.00 H ATOM 51 H ALA A 5 31.180 13.849 15.344 1.00 0.00 H ATOM 52 N ALA A 6 30.257 13.354 12.203 1.00 13.42 N ATOM 53 CA ALA A 6 30.262 13.392 10.738 1.00 13.22 C ATOM 54 C ALA A 6 31.229 12.371 10.152 1.00 12.99 C ATOM 55 O ALA A 6 30.956 11.782 9.106 1.00 13.09 O ATOM 56 CB ALA A 6 30.594 14.794 10.234 1.00 13.31 C ATOM 57 HA ALA A 6 29.259 13.129 10.401 1.00 0.00 H ATOM 58 HB1 ALA A 6 29.847 15.497 10.602 1.00 0.00 H ATOM 59 HB2 ALA A 6 31.579 15.085 10.597 1.00 0.00 H ATOM 60 HB3 ALA A 6 30.592 14.797 9.144 1.00 0.00 H ATOM 61 H ALA A 6 30.629 14.171 12.729 1.00 0.00 H ATOM 62 N LYS A 7 32.358 12.169 10.831 1.00 12.55 N ATOM 63 CA LYS A 7 33.350 11.182 10.415 1.00 12.30 C ATOM 64 C LYS A 7 32.766 9.771 10.486 1.00 11.90 C ATOM 65 O LYS A 7 32.965 8.970 9.573 1.00 11.68 O ATOM 66 CB LYS A 7 34.612 11.293 11.272 1.00 12.59 C ATOM 67 CG LYS A 7 35.718 10.311 10.908 1.00 14.16 C ATOM 68 CD LYS A 7 36.963 10.577 11.726 1.00 16.40 C ATOM 69 CE LYS A 7 38.020 9.523 11.473 1.00 18.08 C ATOM 70 NZ LYS A 7 39.312 9.864 12.133 1.00 19.71 N ATOM 71 HA LYS A 7 33.624 11.384 9.380 1.00 0.00 H ATOM 72 HB2 LYS A 7 35.007 12.304 11.166 1.00 0.00 H ATOM 73 HB3 LYS A 7 34.333 11.120 12.311 1.00 0.00 H ATOM 74 HG2 LYS A 7 35.373 9.295 11.102 1.00 0.00 H ATOM 75 HG3 LYS A 7 35.956 10.417 9.850 1.00 0.00 H ATOM 76 HD2 LYS A 7 37.364 11.554 11.457 1.00 0.00 H ATOM 77 HD3 LYS A 7 36.701 10.572 12.784 1.00 0.00 H ATOM 78 HE2 LYS A 7 38.184 9.438 10.399 1.00 0.00 H ATOM 79 HE3 LYS A 7 37.666 8.568 11.862 1.00 0.00 H ATOM 80 HZ1 LYS A 7 39.660 10.771 11.763 1.00 0.00 H ATOM 81 HZ2 LYS A 7 39.166 9.940 13.160 1.00 0.00 H ATOM 82 HZ3 LYS A 7 40.009 9.117 11.935 1.00 0.00 H ATOM 83 H LYS A 7 32.538 12.733 11.686 1.00 0.00 H ATOM 84 N PHE A 8 32.034 9.479 11.561 1.00 11.09 N ATOM 85 CA PHE A 8 31.365 8.184 11.691 1.00 10.59 C ATOM 86 C PHE A 8 30.375 7.962 10.544 1.00 10.47 C ATOM 87 O PHE A 8 30.309 6.872 9.984 1.00 9.96 O ATOM 88 CB PHE A 8 30.662 8.042 13.052 1.00 10.70 C ATOM 89 CG PHE A 8 29.918 6.741 13.216 1.00 9.71 C ATOM 90 CD1 PHE A 8 28.599 6.618 12.786 1.00 9.15 C ATOM 91 CD2 PHE A 8 30.540 5.634 13.794 1.00 9.12 C ATOM 92 CE1 PHE A 8 27.911 5.416 12.917 1.00 8.99 C ATOM 93 CE2 PHE A 8 29.859 4.426 13.938 1.00 8.59 C ATOM 94 CZ PHE A 8 28.538 4.318 13.497 1.00 8.86 C ATOM 95 HA PHE A 8 32.134 7.413 11.635 1.00 0.00 H ATOM 96 HB2 PHE A 8 31.415 8.110 13.837 1.00 0.00 H ATOM 97 HB3 PHE A 8 29.951 8.861 13.160 1.00 0.00 H ATOM 98 HD2 PHE A 8 31.571 5.715 14.137 1.00 0.00 H ATOM 99 HE2 PHE A 8 30.356 3.569 14.393 1.00 0.00 H ATOM 100 HZ PHE A 8 28.000 3.376 13.607 1.00 0.00 H ATOM 101 HE1 PHE A 8 26.882 5.335 12.566 1.00 0.00 H ATOM 102 HD1 PHE A 8 28.098 7.477 12.340 1.00 0.00 H ATOM 103 H PHE A 8 31.937 10.183 12.320 1.00 0.00 H ATOM 104 N GLU A 9 29.612 8.996 10.195 1.00 10.62 N ATOM 105 CA GLU A 9 28.646 8.885 9.097 1.00 10.89 C ATOM 106 C GLU A 9 29.326 8.622 7.746 1.00 11.07 C ATOM 107 O GLU A 9 28.845 7.812 6.952 1.00 10.92 O ATOM 108 CB GLU A 9 27.739 10.116 9.039 1.00 11.07 C ATOM 109 CG GLU A 9 26.752 10.200 10.207 1.00 11.59 C ATOM 110 CD GLU A 9 25.675 11.256 10.004 1.00 12.50 C ATOM 111 OE1 GLU A 9 25.175 11.386 8.865 1.00 14.60 O ATOM 112 OE2 GLU A 9 25.321 11.949 10.984 1.00 12.58 O ATOM 113 HA GLU A 9 28.022 8.016 9.305 1.00 0.00 H ATOM 114 HB2 GLU A 9 28.365 11.008 9.051 1.00 0.00 H ATOM 115 HB3 GLU A 9 27.172 10.084 8.109 1.00 0.00 H ATOM 116 HG2 GLU A 9 26.269 9.230 10.324 1.00 0.00 H ATOM 117 HG3 GLU A 9 27.307 10.440 11.114 1.00 0.00 H ATOM 118 H GLU A 9 29.702 9.896 10.709 1.00 0.00 H ATOM 119 N ARG A 10 30.454 9.289 7.507 1.00 11.25 N ATOM 120 CA ARG A 10 31.215 9.115 6.266 1.00 11.60 C ATOM 121 C ARG A 10 31.878 7.734 6.193 1.00 11.69 C ATOM 122 O ARG A 10 31.842 7.076 5.149 1.00 11.70 O ATOM 123 CB ARG A 10 32.259 10.233 6.104 1.00 11.82 C ATOM 124 CG ARG A 10 33.162 10.077 4.872 1.00 12.49 C ATOM 125 CD ARG A 10 34.135 11.242 4.699 1.00 13.83 C ATOM 126 NE ARG A 10 34.997 11.461 5.862 1.00 14.73 N ATOM 127 CZ ARG A 10 36.131 10.808 6.108 1.00 16.32 C ATOM 128 NH1 ARG A 10 36.570 9.867 5.277 1.00 16.54 N ATOM 129 NH2 ARG A 10 36.831 11.097 7.197 1.00 17.44 N ATOM 130 HA ARG A 10 30.509 9.181 5.438 1.00 0.00 H ATOM 131 HB2 ARG A 10 31.732 11.184 6.024 1.00 0.00 H ATOM 132 HB3 ARG A 10 32.891 10.243 6.992 1.00 0.00 H ATOM 133 HG2 ARG A 10 33.736 9.156 4.975 1.00 0.00 H ATOM 134 HG3 ARG A 10 32.533 10.014 3.984 1.00 0.00 H ATOM 135 HD2 ARG A 10 33.559 12.150 4.521 1.00 0.00 H ATOM 136 HD3 ARG A 10 34.767 11.039 3.834 1.00 0.00 H ATOM 137 HE ARG A 10 34.700 12.183 6.550 1.00 0.00 H ATOM 138 HH12 ARG A 10 37.458 9.365 5.482 1.00 0.00 H ATOM 139 HH11 ARG A 10 36.026 9.633 4.422 1.00 0.00 H ATOM 140 HH22 ARG A 10 37.718 10.591 7.395 1.00 0.00 H ATOM 141 HH21 ARG A 10 36.493 11.830 7.853 1.00 0.00 H ATOM 142 H ARG A 10 30.806 9.955 8.224 1.00 0.00 H ATOM 143 N GLN A 11 32.469 7.305 7.306 1.00 11.78 N ATOM 144 CA GLN A 11 33.208 6.043 7.363 1.00 12.25 C ATOM 145 C GLN A 11 32.315 4.804 7.419 1.00 11.74 C ATOM 146 O GLN A 11 32.683 3.750 6.894 1.00 11.88 O ATOM 147 CB GLN A 11 34.135 6.016 8.582 1.00 12.61 C ATOM 148 CG GLN A 11 35.352 6.920 8.498 1.00 15.49 C ATOM 149 CD GLN A 11 36.478 6.473 9.423 1.00 18.37 C ATOM 150 OE1 GLN A 11 36.272 5.680 10.349 1.00 19.81 O ATOM 151 NE2 GLN A 11 37.677 6.980 9.172 1.00 19.58 N ATOM 152 HA GLN A 11 33.775 6.003 6.433 1.00 0.00 H ATOM 153 HB2 GLN A 11 33.553 6.316 9.453 1.00 0.00 H ATOM 154 HB3 GLN A 11 34.485 4.992 8.715 1.00 0.00 H ATOM 155 HG2 GLN A 11 35.720 6.916 7.472 1.00 0.00 H ATOM 156 HG3 GLN A 11 35.055 7.932 8.772 1.00 0.00 H ATOM 157 HE22 GLN A 11 37.806 7.644 8.382 1.00 0.00 H ATOM 158 HE21 GLN A 11 38.489 6.713 9.765 1.00 0.00 H ATOM 159 H GLN A 11 32.403 7.887 8.165 1.00 0.00 H ATOM 160 N HIS A 12 31.151 4.922 8.056 1.00 11.24 N ATOM 161 CA HIS A 12 30.408 3.727 8.470 1.00 10.90 C ATOM 162 C HIS A 12 28.930 3.634 8.086 1.00 10.97 C ATOM 163 O HIS A 12 28.328 2.573 8.247 1.00 11.01 O ATOM 164 CB HIS A 12 30.575 3.497 9.978 1.00 10.51 C ATOM 165 CG HIS A 12 31.977 3.173 10.378 1.00 10.48 C ATOM 166 ND1 HIS A 12 32.731 3.993 11.189 1.00 9.64 N ATOM 167 CD2 HIS A 12 32.771 2.126 10.059 1.00 9.21 C ATOM 168 CE1 HIS A 12 33.926 3.457 11.361 1.00 9.10 C ATOM 169 NE2 HIS A 12 33.977 2.325 10.683 1.00 11.20 N ATOM 170 HA HIS A 12 30.868 2.934 7.880 1.00 0.00 H ATOM 171 HB2 HIS A 12 30.266 4.402 10.502 1.00 0.00 H ATOM 172 HB3 HIS A 12 29.931 2.669 10.275 1.00 0.00 H ATOM 173 HD2 HIS A 12 32.503 1.281 9.424 1.00 0.00 H ATOM 174 HE1 HIS A 12 34.733 3.878 11.961 1.00 0.00 H ATOM 175 H HIS A 12 30.767 5.867 8.261 1.00 0.00 H ATOM 176 N MET A 13 28.346 4.719 7.583 1.00 10.96 N ATOM 177 CA MET A 13 26.926 4.700 7.233 1.00 11.40 C ATOM 178 C MET A 13 26.677 4.625 5.726 1.00 11.59 C ATOM 179 O MET A 13 27.207 5.429 4.960 1.00 11.67 O ATOM 180 CB MET A 13 26.195 5.913 7.826 1.00 11.26 C ATOM 181 CG MET A 13 26.067 5.917 9.356 1.00 11.37 C ATOM 182 SD MET A 13 25.142 4.527 10.053 1.00 11.46 S ATOM 183 CE MET A 13 23.563 4.718 9.222 1.00 10.35 C ATOM 184 HA MET A 13 26.524 3.786 7.669 1.00 0.00 H ATOM 185 HB2 MET A 13 26.737 6.811 7.531 1.00 0.00 H ATOM 186 HB3 MET A 13 25.191 5.941 7.403 1.00 0.00 H ATOM 187 HG2 MET A 13 25.565 6.839 9.651 1.00 0.00 H ATOM 188 HG3 MET A 13 27.071 5.901 9.779 1.00 0.00 H ATOM 189 HE1 MET A 13 23.139 5.691 9.469 1.00 0.00 H ATOM 190 HE2 MET A 13 23.710 4.647 8.144 1.00 0.00 H ATOM 191 HE3 MET A 13 22.884 3.931 9.550 1.00 0.00 H ATOM 192 H MET A 13 28.903 5.585 7.438 1.00 0.00 H ATOM 193 N ASP A 14 25.862 3.657 5.313 1.00 12.20 N ATOM 194 CA ASP A 14 25.364 3.595 3.937 1.00 12.69 C ATOM 195 C ASP A 14 23.938 3.055 3.926 1.00 13.20 C ATOM 196 O ASP A 14 23.689 1.913 3.525 1.00 12.52 O ATOM 197 CB ASP A 14 26.278 2.755 3.036 1.00 12.89 C ATOM 198 CG ASP A 14 25.886 2.834 1.562 1.00 13.42 C ATOM 199 OD1 ASP A 14 25.217 3.810 1.158 1.00 14.59 O ATOM 200 OD2 ASP A 14 26.258 1.920 0.798 1.00 14.67 O ATOM 201 HA ASP A 14 25.363 4.607 3.531 1.00 0.00 H ATOM 202 HB2 ASP A 14 27.301 3.114 3.145 1.00 0.00 H ATOM 203 HB3 ASP A 14 26.224 1.715 3.356 1.00 0.00 H ATOM 204 H ASP A 14 25.570 2.922 5.988 1.00 0.00 H ATOM 205 N SER A 15 23.010 3.898 4.368 1.00 14.12 N ATOM 206 CA SER A 15 21.614 3.512 4.548 1.00 15.51 C ATOM 207 C SER A 15 20.948 3.118 3.233 1.00 16.91 C ATOM 208 O SER A 15 20.987 3.873 2.258 1.00 17.04 O ATOM 209 CB SER A 15 20.838 4.645 5.216 1.00 15.37 C ATOM 210 OG SER A 15 21.350 4.909 6.507 1.00 14.82 O ATOM 211 HA SER A 15 21.600 2.633 5.192 1.00 0.00 H ATOM 212 HB2 SER A 15 19.789 4.361 5.298 1.00 0.00 H ATOM 213 HB3 SER A 15 20.922 5.545 4.607 1.00 0.00 H ATOM 214 HG SER A 15 21.272 4.095 7.065 1.00 0.00 H ATOM 215 H SER A 15 23.290 4.873 4.595 1.00 0.00 H ATOM 216 N SER A 16 20.354 1.924 3.224 1.00 18.51 N ATOM 217 CA SER A 16 19.675 1.372 2.050 1.00 20.39 C ATOM 218 C SER A 16 18.773 0.212 2.448 1.00 21.23 C ATOM 219 O SER A 16 19.172 -0.650 3.234 1.00 21.48 O ATOM 220 CB SER A 16 20.690 0.880 1.009 1.00 20.46 C ATOM 221 OG SER A 16 21.152 1.941 0.189 1.00 22.37 O ATOM 222 HA SER A 16 19.073 2.170 1.615 1.00 0.00 H ATOM 223 HB2 SER A 16 20.215 0.127 0.380 1.00 0.00 H ATOM 224 HB3 SER A 16 21.541 0.436 1.526 1.00 0.00 H ATOM 225 HG SER A 16 21.590 2.626 0.754 1.00 0.00 H ATOM 226 H SER A 16 20.374 1.356 4.095 1.00 0.00 H ATOM 227 N THR A 17 17.556 0.195 1.910 1.00 22.60 N ATOM 228 CA THR A 17 16.686 -0.973 2.045 1.00 23.78 C ATOM 229 C THR A 17 16.976 -1.936 0.895 1.00 24.20 C ATOM 230 O THR A 17 17.223 -1.508 -0.238 1.00 24.55 O ATOM 231 CB THR A 17 15.182 -0.599 2.073 1.00 23.82 C ATOM 232 OG1 THR A 17 14.840 0.124 0.886 1.00 24.77 O ATOM 233 CG2 THR A 17 14.853 0.251 3.296 1.00 24.23 C ATOM 234 HA THR A 17 16.901 -1.447 3.003 1.00 0.00 H ATOM 235 HB THR A 17 14.603 -1.521 2.124 1.00 0.00 H ATOM 236 HG1 THR A 17 15.023 -0.440 0.093 1.00 0.00 H ATOM 237 HG23 THR A 17 15.113 -0.299 4.200 1.00 0.00 H ATOM 238 HG21 THR A 17 15.424 1.179 3.257 1.00 0.00 H ATOM 239 HG22 THR A 17 13.787 0.479 3.302 1.00 0.00 H ATOM 240 H THR A 17 17.218 1.026 1.385 1.00 0.00 H ATOM 241 N SER A 18 16.951 -3.233 1.200 1.00 24.86 N ATOM 242 CA SER A 18 17.319 -4.298 0.256 1.00 25.00 C ATOM 243 C SER A 18 18.775 -4.208 -0.195 1.00 25.07 C ATOM 244 O SER A 18 19.079 -4.378 -1.381 1.00 25.53 O ATOM 245 CB SER A 18 16.375 -4.324 -0.952 1.00 25.22 C ATOM 246 HA SER A 18 17.212 -5.238 0.797 1.00 0.00 H ATOM 247 HB2 SER A 18 15.355 -4.500 -0.611 1.00 0.00 H ATOM 248 HB3 SER A 18 16.425 -3.367 -1.472 1.00 0.00 H ATOM 249 H SER A 18 16.655 -3.507 2.159 1.00 0.00 H ATOM 250 N ALA A 19 19.668 -3.947 0.760 1.00 24.78 N ATOM 251 CA ALA A 19 21.099 -3.831 0.482 1.00 24.24 C ATOM 252 C ALA A 19 21.630 -5.088 -0.205 1.00 23.77 C ATOM 253 O ALA A 19 21.465 -6.204 0.297 1.00 23.82 O ATOM 254 CB ALA A 19 21.869 -3.546 1.762 1.00 24.43 C ATOM 255 HA ALA A 19 21.245 -2.993 -0.200 1.00 0.00 H ATOM 256 HB1 ALA A 19 21.515 -2.611 2.197 1.00 0.00 H ATOM 257 HB2 ALA A 19 21.710 -4.360 2.469 1.00 0.00 H ATOM 258 HB3 ALA A 19 22.932 -3.463 1.534 1.00 0.00 H ATOM 259 H ALA A 19 19.335 -3.821 1.737 1.00 0.00 H ATOM 260 N ALA A 20 22.247 -4.893 -1.368 1.00 22.96 N ATOM 261 CA ALA A 20 22.769 -5.996 -2.169 1.00 22.06 C ATOM 262 C ALA A 20 24.163 -5.663 -2.699 1.00 21.44 C ATOM 263 O ALA A 20 24.373 -5.531 -3.911 1.00 21.57 O ATOM 264 CB ALA A 20 21.807 -6.323 -3.310 1.00 22.15 C ATOM 265 HA ALA A 20 22.856 -6.879 -1.536 1.00 0.00 H ATOM 266 HB1 ALA A 20 20.839 -6.608 -2.897 1.00 0.00 H ATOM 267 HB2 ALA A 20 21.688 -5.446 -3.946 1.00 0.00 H ATOM 268 HB3 ALA A 20 22.210 -7.147 -3.898 1.00 0.00 H ATOM 269 H ALA A 20 22.361 -3.921 -1.718 1.00 0.00 H ATOM 270 N SER A 21 25.110 -5.535 -1.770 1.00 20.37 N ATOM 271 CA SER A 21 26.493 -5.155 -2.075 1.00 19.45 C ATOM 272 C SER A 21 27.165 -6.136 -3.034 1.00 18.73 C ATOM 273 O SER A 21 27.364 -7.308 -2.703 1.00 18.55 O ATOM 274 CB SER A 21 27.309 -5.048 -0.781 1.00 19.42 C ATOM 275 OG SER A 21 26.649 -4.238 0.175 1.00 19.59 O ATOM 276 HA SER A 21 26.459 -4.184 -2.570 1.00 0.00 H ATOM 277 HB2 SER A 21 28.281 -4.610 -1.008 1.00 0.00 H ATOM 278 HB3 SER A 21 27.450 -6.046 -0.366 1.00 0.00 H ATOM 279 HG SER A 21 27.197 -4.187 0.998 1.00 0.00 H ATOM 280 H SER A 21 24.855 -5.714 -0.778 1.00 0.00 H ATOM 281 N SER A 22 27.512 -5.645 -4.222 1.00 17.92 N ATOM 282 CA SER A 22 28.161 -6.470 -5.239 1.00 17.28 C ATOM 283 C SER A 22 29.602 -6.774 -4.845 1.00 17.01 C ATOM 284 O SER A 22 30.117 -6.219 -3.872 1.00 16.76 O ATOM 285 CB SER A 22 28.133 -5.768 -6.599 1.00 17.08 C ATOM 286 OG SER A 22 29.112 -4.746 -6.667 1.00 16.97 O ATOM 287 HA SER A 22 27.611 -7.408 -5.314 1.00 0.00 H ATOM 288 HB2 SER A 22 27.148 -5.328 -6.752 1.00 0.00 H ATOM 289 HB3 SER A 22 28.328 -6.501 -7.382 1.00 0.00 H ATOM 290 HG SER A 22 29.071 -4.310 -7.555 1.00 0.00 H ATOM 291 H SER A 22 27.316 -4.646 -4.432 1.00 0.00 H ATOM 292 N SER A 23 30.254 -7.643 -5.613 1.00 16.66 N ATOM 293 CA SER A 23 31.667 -7.947 -5.394 1.00 16.41 C ATOM 294 C SER A 23 32.571 -6.720 -5.586 1.00 16.23 C ATOM 295 O SER A 23 33.716 -6.717 -5.126 1.00 16.53 O ATOM 296 CB SER A 23 32.117 -9.118 -6.277 1.00 16.45 C ATOM 297 OG SER A 23 31.699 -8.948 -7.618 1.00 16.07 O ATOM 298 HA SER A 23 31.771 -8.246 -4.351 1.00 0.00 H ATOM 299 HB2 SER A 23 31.689 -10.041 -5.887 1.00 0.00 H ATOM 300 HB3 SER A 23 33.205 -9.184 -6.251 1.00 0.00 H ATOM 301 HG SER A 23 32.089 -8.114 -7.981 1.00 0.00 H ATOM 302 H SER A 23 29.747 -8.117 -6.387 1.00 0.00 H ATOM 303 N ASN A 24 32.044 -5.684 -6.242 1.00 16.02 N ATOM 304 CA ASN A 24 32.770 -4.422 -6.465 1.00 15.81 C ATOM 305 C ASN A 24 32.534 -3.355 -5.391 1.00 15.09 C ATOM 306 O ASN A 24 33.213 -2.323 -5.381 1.00 14.70 O ATOM 307 CB ASN A 24 32.391 -3.813 -7.823 1.00 16.22 C ATOM 308 CG ASN A 24 32.618 -4.759 -8.985 1.00 17.28 C ATOM 309 OD1 ASN A 24 33.617 -5.481 -9.039 1.00 18.86 O ATOM 310 ND2 ASN A 24 31.688 -4.749 -9.936 1.00 19.18 N ATOM 311 HA ASN A 24 33.823 -4.700 -6.427 1.00 0.00 H ATOM 312 HB2 ASN A 24 31.336 -3.540 -7.799 1.00 0.00 H ATOM 313 HB3 ASN A 24 32.993 -2.918 -7.982 1.00 0.00 H ATOM 314 HD22 ASN A 24 30.862 -4.124 -9.849 1.00 0.00 H ATOM 315 HD21 ASN A 24 31.787 -5.367 -10.767 1.00 0.00 H ATOM 316 H ASN A 24 31.076 -5.772 -6.613 1.00 0.00 H ATOM 317 N TYR A 25 31.567 -3.599 -4.505 1.00 14.52 N ATOM 318 CA TYR A 25 31.082 -2.584 -3.555 1.00 14.03 C ATOM 319 C TYR A 25 32.178 -1.926 -2.714 1.00 13.89 C ATOM 320 O TYR A 25 32.303 -0.700 -2.704 1.00 13.68 O ATOM 321 CB TYR A 25 29.993 -3.176 -2.651 1.00 13.88 C ATOM 322 CG TYR A 25 29.483 -2.256 -1.560 1.00 13.60 C ATOM 323 CD1 TYR A 25 28.423 -1.382 -1.795 1.00 12.87 C ATOM 324 CD2 TYR A 25 30.049 -2.280 -0.282 1.00 13.15 C ATOM 325 CE1 TYR A 25 27.941 -0.546 -0.784 1.00 12.65 C ATOM 326 CE2 TYR A 25 29.585 -1.443 0.727 1.00 12.64 C ATOM 327 CZ TYR A 25 28.530 -0.586 0.472 1.00 12.64 C ATOM 328 OH TYR A 25 28.068 0.238 1.472 1.00 12.81 O ATOM 329 HA TYR A 25 30.666 -1.784 -4.167 1.00 0.00 H ATOM 330 HB3 TYR A 25 30.399 -4.069 -2.176 1.00 0.00 H ATOM 331 HB2 TYR A 25 29.147 -3.453 -3.280 1.00 0.00 H ATOM 332 HD2 TYR A 25 30.869 -2.967 -0.073 1.00 0.00 H ATOM 333 HE2 TYR A 25 30.050 -1.462 1.713 1.00 0.00 H ATOM 334 HE1 TYR A 25 27.110 0.131 -0.980 1.00 0.00 H ATOM 335 HD1 TYR A 25 27.963 -1.350 -2.783 1.00 0.00 H ATOM 336 HH TYR A 25 27.316 0.783 1.128 1.00 0.00 H ATOM 337 H TYR A 25 31.138 -4.546 -4.484 1.00 0.00 H ATOM 338 N CYS A 26 32.958 -2.740 -2.007 1.00 13.77 N ATOM 339 CA CYS A 26 34.012 -2.219 -1.138 1.00 13.91 C ATOM 340 C CYS A 26 35.085 -1.459 -1.914 1.00 14.30 C ATOM 341 O CYS A 26 35.562 -0.421 -1.456 1.00 14.25 O ATOM 342 CB CYS A 26 34.628 -3.336 -0.297 1.00 13.67 C ATOM 343 SG CYS A 26 33.526 -3.945 0.996 1.00 12.51 S ATOM 344 HA CYS A 26 33.543 -1.501 -0.465 1.00 0.00 H ATOM 345 HB2 CYS A 26 35.536 -2.956 0.172 1.00 0.00 H ATOM 346 HB3 CYS A 26 34.881 -4.166 -0.956 1.00 0.00 H ATOM 347 H CYS A 26 32.815 -3.768 -2.074 1.00 0.00 H ATOM 348 N ASN A 27 35.444 -1.957 -3.096 1.00 14.84 N ATOM 349 CA ASN A 27 36.408 -1.262 -3.951 1.00 15.66 C ATOM 350 C ASN A 27 35.984 0.174 -4.279 1.00 16.12 C ATOM 351 O ASN A 27 36.809 1.090 -4.264 1.00 16.50 O ATOM 352 CB ASN A 27 36.678 -2.063 -5.229 1.00 15.74 C ATOM 353 CG ASN A 27 37.460 -3.339 -4.967 1.00 16.32 C ATOM 354 OD1 ASN A 27 38.258 -3.418 -4.028 1.00 17.11 O ATOM 355 ND2 ASN A 27 37.246 -4.344 -5.809 1.00 17.56 N ATOM 356 HA ASN A 27 37.336 -1.188 -3.384 1.00 0.00 H ATOM 357 HB2 ASN A 27 35.723 -2.326 -5.684 1.00 0.00 H ATOM 358 HB3 ASN A 27 37.248 -1.440 -5.918 1.00 0.00 H ATOM 359 HD22 ASN A 27 36.564 -4.235 -6.587 1.00 0.00 H ATOM 360 HD21 ASN A 27 37.760 -5.240 -5.690 1.00 0.00 H ATOM 361 H ASN A 27 35.032 -2.856 -3.417 1.00 0.00 H ATOM 362 N GLN A 28 34.692 0.361 -4.547 1.00 16.51 N ATOM 363 CA GLN A 28 34.136 1.675 -4.871 1.00 17.07 C ATOM 364 C GLN A 28 33.939 2.550 -3.632 1.00 17.00 C ATOM 365 O GLN A 28 34.280 3.734 -3.638 1.00 16.87 O ATOM 366 CB GLN A 28 32.796 1.525 -5.595 1.00 17.46 C ATOM 367 CG GLN A 28 32.859 0.800 -6.928 1.00 19.13 C ATOM 368 CD GLN A 28 31.501 0.697 -7.596 1.00 21.37 C ATOM 369 OE1 GLN A 28 30.489 0.426 -6.944 1.00 23.15 O ATOM 370 NE2 GLN A 28 31.472 0.909 -8.906 1.00 22.80 N ATOM 371 HA GLN A 28 34.861 2.167 -5.519 1.00 0.00 H ATOM 372 HB2 GLN A 28 32.120 0.973 -4.942 1.00 0.00 H ATOM 373 HB3 GLN A 28 32.394 2.523 -5.772 1.00 0.00 H ATOM 374 HG2 GLN A 28 33.535 1.342 -7.590 1.00 0.00 H ATOM 375 HG3 GLN A 28 33.245 -0.206 -6.762 1.00 0.00 H ATOM 376 HE22 GLN A 28 32.350 1.135 -9.416 1.00 0.00 H ATOM 377 HE21 GLN A 28 30.571 0.849 -9.423 1.00 0.00 H ATOM 378 H GLN A 28 34.054 -0.460 -4.525 1.00 0.00 H ATOM 379 N MET A 29 33.386 1.956 -2.576 1.00 16.95 N ATOM 380 CA MET A 29 33.001 2.700 -1.375 1.00 16.87 C ATOM 381 C MET A 29 34.186 3.182 -0.546 1.00 16.81 C ATOM 382 O MET A 29 34.168 4.299 -0.022 1.00 16.66 O ATOM 383 CB MET A 29 32.053 1.868 -0.510 1.00 16.92 C ATOM 384 CG MET A 29 30.651 1.763 -1.076 1.00 17.68 C ATOM 385 SD MET A 29 29.752 3.322 -1.019 1.00 19.18 S ATOM 386 CE MET A 29 29.390 3.457 0.731 1.00 18.77 C ATOM 387 HA MET A 29 32.489 3.596 -1.727 1.00 0.00 H ATOM 388 HB2 MET A 29 32.464 0.863 -0.417 1.00 0.00 H ATOM 389 HB3 MET A 29 31.993 2.328 0.477 1.00 0.00 H ATOM 390 HG2 MET A 29 30.098 1.021 -0.500 1.00 0.00 H ATOM 391 HG3 MET A 29 30.718 1.438 -2.114 1.00 0.00 H ATOM 392 HE1 MET A 29 28.792 2.601 1.044 1.00 0.00 H ATOM 393 HE2 MET A 29 30.323 3.475 1.293 1.00 0.00 H ATOM 394 HE3 MET A 29 28.835 4.377 0.916 1.00 0.00 H ATOM 395 H MET A 29 33.222 0.929 -2.605 1.00 0.00 H ATOM 396 N MET A 30 35.215 2.343 -0.429 1.00 16.71 N ATOM 397 CA MET A 30 36.422 2.721 0.304 1.00 16.82 C ATOM 398 C MET A 30 37.101 3.923 -0.349 1.00 17.28 C ATOM 399 O MET A 30 37.663 4.772 0.342 1.00 17.33 O ATOM 400 CB MET A 30 37.395 1.543 0.415 1.00 16.54 C ATOM 401 CG MET A 30 36.865 0.358 1.222 1.00 15.83 C ATOM 402 SD MET A 30 36.506 0.734 2.953 1.00 13.70 S ATOM 403 CE MET A 30 38.164 0.980 3.597 1.00 14.91 C ATOM 404 HA MET A 30 36.123 3.004 1.313 1.00 0.00 H ATOM 405 HB2 MET A 30 37.624 1.194 -0.592 1.00 0.00 H ATOM 406 HB3 MET A 30 38.308 1.899 0.892 1.00 0.00 H ATOM 407 HG2 MET A 30 37.612 -0.436 1.193 1.00 0.00 H ATOM 408 HG3 MET A 30 35.946 0.008 0.751 1.00 0.00 H ATOM 409 HE1 MET A 30 38.745 0.068 3.460 1.00 0.00 H ATOM 410 HE2 MET A 30 38.642 1.801 3.062 1.00 0.00 H ATOM 411 HE3 MET A 30 38.108 1.220 4.659 1.00 0.00 H ATOM 412 H MET A 30 35.158 1.402 -0.867 1.00 0.00 H ATOM 413 N LYS A 31 37.025 3.994 -1.678 1.00 17.74 N ATOM 414 CA LYS A 31 37.546 5.133 -2.435 1.00 18.17 C ATOM 415 C LYS A 31 36.658 6.374 -2.297 1.00 18.21 C ATOM 416 O LYS A 31 37.149 7.454 -1.955 1.00 18.37 O ATOM 417 CB LYS A 31 37.726 4.761 -3.913 1.00 18.35 C ATOM 418 CG LYS A 31 38.314 5.871 -4.785 1.00 19.46 C ATOM 419 CD LYS A 31 38.241 5.501 -6.263 1.00 21.48 C ATOM 420 CE LYS A 31 38.776 6.612 -7.151 1.00 22.64 C ATOM 421 NZ LYS A 31 38.615 6.287 -8.601 1.00 24.12 N ATOM 422 HA LYS A 31 38.519 5.384 -2.012 1.00 0.00 H ATOM 423 HB2 LYS A 31 38.390 3.898 -3.968 1.00 0.00 H ATOM 424 HB3 LYS A 31 36.750 4.493 -4.317 1.00 0.00 H ATOM 425 HG2 LYS A 31 37.752 6.790 -4.619 1.00 0.00 H ATOM 426 HG3 LYS A 31 39.356 6.028 -4.508 1.00 0.00 H ATOM 427 HD2 LYS A 31 38.831 4.600 -6.431 1.00 0.00 H ATOM 428 HD3 LYS A 31 37.201 5.307 -6.527 1.00 0.00 H ATOM 429 HE2 LYS A 31 39.835 6.757 -6.937 1.00 0.00 H ATOM 430 HE3 LYS A 31 38.233 7.532 -6.932 1.00 0.00 H ATOM 431 HZ1 LYS A 31 39.136 5.414 -8.819 1.00 0.00 H ATOM 432 HZ2 LYS A 31 37.606 6.153 -8.815 1.00 0.00 H ATOM 433 HZ3 LYS A 31 38.992 7.069 -9.174 1.00 0.00 H ATOM 434 H LYS A 31 36.579 3.211 -2.196 1.00 0.00 H ATOM 435 N SER A 32 35.358 6.214 -2.545 1.00 18.19 N ATOM 436 CA SER A 32 34.428 7.352 -2.568 1.00 18.24 C ATOM 437 C SER A 32 34.234 8.023 -1.204 1.00 18.37 C ATOM 438 O SER A 32 33.971 9.225 -1.135 1.00 18.11 O ATOM 439 CB SER A 32 33.080 6.959 -3.187 1.00 18.37 C ATOM 440 OG SER A 32 32.436 5.943 -2.441 1.00 18.53 O ATOM 441 HA SER A 32 34.899 8.102 -3.204 1.00 0.00 H ATOM 442 HB2 SER A 32 33.249 6.599 -4.202 1.00 0.00 H ATOM 443 HB3 SER A 32 32.436 7.838 -3.217 1.00 0.00 H ATOM 444 HG SER A 32 31.573 5.717 -2.870 1.00 0.00 H ATOM 445 H SER A 32 34.992 5.258 -2.727 1.00 0.00 H ATOM 446 N ARG A 33 34.380 7.251 -0.130 1.00 18.63 N ATOM 447 CA ARG A 33 34.272 7.787 1.229 1.00 18.90 C ATOM 448 C ARG A 33 35.622 8.259 1.783 1.00 19.65 C ATOM 449 O ARG A 33 35.752 8.514 2.982 1.00 19.38 O ATOM 450 CB ARG A 33 33.624 6.765 2.173 1.00 18.49 C ATOM 451 CG ARG A 33 32.198 6.367 1.796 1.00 17.26 C ATOM 452 CD ARG A 33 31.234 7.552 1.851 1.00 15.29 C ATOM 453 NE ARG A 33 29.850 7.144 1.616 1.00 15.02 N ATOM 454 CZ ARG A 33 29.031 6.677 2.556 1.00 14.56 C ATOM 455 NH1 ARG A 33 29.449 6.551 3.812 1.00 13.45 N ATOM 456 NH2 ARG A 33 27.788 6.335 2.240 1.00 13.48 N ATOM 457 HA ARG A 33 33.628 8.664 1.170 1.00 0.00 H ATOM 458 HB2 ARG A 33 34.239 5.865 2.175 1.00 0.00 H ATOM 459 HB3 ARG A 33 33.604 7.192 3.176 1.00 0.00 H ATOM 460 HG2 ARG A 33 32.202 5.964 0.783 1.00 0.00 H ATOM 461 HG3 ARG A 33 31.852 5.600 2.489 1.00 0.00 H ATOM 462 HD2 ARG A 33 31.522 8.276 1.089 1.00 0.00 H ATOM 463 HD3 ARG A 33 31.302 8.016 2.835 1.00 0.00 H ATOM 464 HE ARG A 33 29.480 7.224 0.648 1.00 0.00 H ATOM 465 HH12 ARG A 33 28.803 6.185 4.541 1.00 0.00 H ATOM 466 HH11 ARG A 33 30.422 6.818 4.066 1.00 0.00 H ATOM 467 HH22 ARG A 33 27.147 5.970 2.973 1.00 0.00 H ATOM 468 HH21 ARG A 33 27.455 6.432 1.259 1.00 0.00 H ATOM 469 H ARG A 33 34.576 6.238 -0.259 1.00 0.00 H ATOM 470 N ASN A 34 36.611 8.379 0.894 1.00 20.68 N ATOM 471 CA ASN A 34 37.948 8.891 1.226 1.00 21.93 C ATOM 472 C ASN A 34 38.679 8.079 2.298 1.00 22.45 C ATOM 473 O ASN A 34 39.297 8.640 3.208 1.00 22.57 O ATOM 474 CB ASN A 34 37.890 10.378 1.616 1.00 22.17 C ATOM 475 CG ASN A 34 37.462 11.280 0.463 1.00 23.38 C ATOM 476 OD1 ASN A 34 37.529 10.902 -0.711 1.00 24.53 O ATOM 477 ND2 ASN A 34 37.033 12.492 0.799 1.00 24.93 N ATOM 478 HA ASN A 34 38.536 8.781 0.315 1.00 0.00 H ATOM 479 HB2 ASN A 34 37.178 10.496 2.433 1.00 0.00 H ATOM 480 HB3 ASN A 34 38.880 10.688 1.951 1.00 0.00 H ATOM 481 HD22 ASN A 34 36.992 12.770 1.800 1.00 0.00 H ATOM 482 HD21 ASN A 34 36.738 13.162 0.061 1.00 0.00 H ATOM 483 H ASN A 34 36.425 8.094 -0.089 1.00 0.00 H ATOM 484 N LEU A 35 38.610 6.757 2.178 1.00 23.20 N ATOM 485 CA LEU A 35 39.279 5.859 3.120 1.00 24.03 C ATOM 486 C LEU A 35 40.526 5.215 2.507 1.00 24.83 C ATOM 487 O LEU A 35 41.145 4.338 3.116 1.00 25.09 O ATOM 488 CB LEU A 35 38.299 4.791 3.636 1.00 23.75 C ATOM 489 CG LEU A 35 36.942 5.279 4.167 1.00 23.40 C ATOM 490 CD1 LEU A 35 36.063 4.111 4.592 1.00 22.48 C ATOM 491 CD2 LEU A 35 37.109 6.265 5.316 1.00 23.35 C ATOM 492 HA LEU A 35 39.614 6.458 3.967 1.00 0.00 H ATOM 493 HB2 LEU A 35 38.101 4.103 2.814 1.00 0.00 H ATOM 494 HB3 LEU A 35 38.794 4.255 4.446 1.00 0.00 H ATOM 495 HG LEU A 35 36.447 5.800 3.347 1.00 0.00 H ATOM 496 HD21 LEU A 35 37.644 5.781 6.133 1.00 0.00 H ATOM 497 HD22 LEU A 35 37.675 7.130 4.971 1.00 0.00 H ATOM 498 HD23 LEU A 35 36.127 6.586 5.663 1.00 0.00 H ATOM 499 HD11 LEU A 35 35.888 3.460 3.736 1.00 0.00 H ATOM 500 HD12 LEU A 35 36.564 3.549 5.381 1.00 0.00 H ATOM 501 HD13 LEU A 35 35.111 4.491 4.963 1.00 0.00 H ATOM 502 H LEU A 35 38.065 6.349 1.392 1.00 0.00 H ATOM 503 N THR A 36 40.888 5.665 1.305 1.00 25.91 N ATOM 504 CA THR A 36 42.061 5.154 0.583 1.00 26.94 C ATOM 505 C THR A 36 42.988 6.280 0.100 1.00 27.68 C ATOM 506 O THR A 36 43.795 6.079 -0.815 1.00 28.01 O ATOM 507 CB THR A 36 41.657 4.282 -0.637 1.00 26.77 C ATOM 508 OG1 THR A 36 40.905 5.069 -1.570 1.00 26.94 O ATOM 509 CG2 THR A 36 40.833 3.072 -0.210 1.00 27.14 C ATOM 510 HA THR A 36 42.600 4.539 1.304 1.00 0.00 H ATOM 511 HB THR A 36 42.571 3.922 -1.108 1.00 0.00 H ATOM 512 HG1 THR A 36 40.651 4.507 -2.345 1.00 0.00 H ATOM 513 HG23 THR A 36 41.407 2.475 0.499 1.00 0.00 H ATOM 514 HG21 THR A 36 39.910 3.410 0.261 1.00 0.00 H ATOM 515 HG22 THR A 36 40.595 2.468 -1.086 1.00 0.00 H ATOM 516 H THR A 36 40.315 6.410 0.859 1.00 0.00 H ATOM 517 N LYS A 37 42.875 7.455 0.716 1.00 28.52 N ATOM 518 CA LYS A 37 43.657 8.624 0.295 1.00 29.22 C ATOM 519 C LYS A 37 45.101 8.575 0.795 1.00 29.47 C ATOM 520 O LYS A 37 46.033 8.819 0.027 1.00 29.76 O ATOM 521 CB LYS A 37 42.986 9.930 0.740 1.00 29.27 C ATOM 522 CG LYS A 37 41.672 10.243 0.036 1.00 30.09 C ATOM 523 CD LYS A 37 41.175 11.647 0.380 1.00 31.29 C ATOM 524 CE LYS A 37 41.632 12.684 -0.640 1.00 31.72 C ATOM 525 NZ LYS A 37 40.831 12.613 -1.900 1.00 31.97 N ATOM 526 HA LYS A 37 43.688 8.596 -0.794 1.00 0.00 H ATOM 527 HB2 LYS A 37 42.791 9.864 1.810 1.00 0.00 H ATOM 528 HB3 LYS A 37 43.678 10.750 0.548 1.00 0.00 H ATOM 529 HG2 LYS A 37 41.821 10.174 -1.041 1.00 0.00 H ATOM 530 HG3 LYS A 37 40.922 9.515 0.345 1.00 0.00 H ATOM 531 HD2 LYS A 37 40.085 11.637 0.408 1.00 0.00 H ATOM 532 HD3 LYS A 37 41.560 11.926 1.361 1.00 0.00 H ATOM 533 HE2 LYS A 37 42.681 12.507 -0.878 1.00 0.00 H ATOM 534 HE3 LYS A 37 41.522 13.678 -0.207 1.00 0.00 H ATOM 535 HZ1 LYS A 37 40.936 11.669 -2.323 1.00 0.00 H ATOM 536 HZ2 LYS A 37 39.829 12.787 -1.683 1.00 0.00 H ATOM 537 HZ3 LYS A 37 41.173 13.334 -2.568 1.00 0.00 H ATOM 538 H LYS A 37 42.216 7.547 1.515 1.00 0.00 H ATOM 539 N ASP A 38 45.277 8.265 2.077 1.00 29.75 N ATOM 540 CA ASP A 38 46.604 8.215 2.690 1.00 29.92 C ATOM 541 C ASP A 38 47.219 6.824 2.576 1.00 29.79 C ATOM 542 O ASP A 38 48.356 6.677 2.127 1.00 29.86 O ATOM 543 CB ASP A 38 46.537 8.641 4.161 1.00 30.27 C ATOM 544 CG ASP A 38 46.145 10.102 4.338 1.00 30.98 C ATOM 545 OD1 ASP A 38 45.908 10.509 5.496 1.00 31.82 O ATOM 546 OD2 ASP A 38 46.073 10.842 3.330 1.00 32.05 O ATOM 547 HA ASP A 38 47.242 8.913 2.148 1.00 0.00 H ATOM 548 HB2 ASP A 38 45.801 8.019 4.670 1.00 0.00 H ATOM 549 HB3 ASP A 38 47.517 8.486 4.613 1.00 0.00 H ATOM 550 H ASP A 38 44.444 8.051 2.662 1.00 0.00 H ATOM 551 N ARG A 39 46.458 5.818 2.999 1.00 29.45 N ATOM 552 CA ARG A 39 46.861 4.417 2.930 1.00 29.14 C ATOM 553 C ARG A 39 45.615 3.564 2.695 1.00 28.70 C ATOM 554 O ARG A 39 44.493 4.070 2.779 1.00 28.81 O ATOM 555 CB ARG A 39 47.560 3.997 4.231 1.00 29.21 C ATOM 556 CG ARG A 39 46.622 3.767 5.418 1.00 30.08 C ATOM 557 CD ARG A 39 47.381 3.460 6.702 1.00 31.41 C ATOM 558 NE ARG A 39 46.601 2.622 7.615 1.00 32.48 N ATOM 559 CZ ARG A 39 45.711 3.074 8.498 1.00 33.07 C ATOM 560 NH1 ARG A 39 45.463 4.376 8.609 1.00 33.82 N ATOM 561 NH2 ARG A 39 45.062 2.219 9.276 1.00 33.22 N ATOM 562 HA ARG A 39 47.565 4.275 2.110 1.00 0.00 H ATOM 563 HB2 ARG A 39 48.101 3.070 4.042 1.00 0.00 H ATOM 564 HB3 ARG A 39 48.267 4.780 4.504 1.00 0.00 H ATOM 565 HG2 ARG A 39 46.022 4.664 5.571 1.00 0.00 H ATOM 566 HG3 ARG A 39 45.965 2.928 5.189 1.00 0.00 H ATOM 567 HD2 ARG A 39 47.620 4.398 7.203 1.00 0.00 H ATOM 568 HD3 ARG A 39 48.305 2.940 6.449 1.00 0.00 H ATOM 569 HE ARG A 39 46.753 1.594 7.571 1.00 0.00 H ATOM 570 HH12 ARG A 39 44.766 4.715 9.302 1.00 0.00 H ATOM 571 HH11 ARG A 39 45.966 5.055 8.003 1.00 0.00 H ATOM 572 HH22 ARG A 39 44.367 2.568 9.966 1.00 0.00 H ATOM 573 HH21 ARG A 39 45.248 1.199 9.196 1.00 0.00 H ATOM 574 H ARG A 39 45.525 6.042 3.401 1.00 0.00 H ATOM 575 N CYS A 40 45.808 2.281 2.400 1.00 28.03 N ATOM 576 CA CYS A 40 44.692 1.343 2.345 1.00 27.30 C ATOM 577 C CYS A 40 44.277 0.987 3.767 1.00 26.70 C ATOM 578 O CYS A 40 45.025 0.322 4.490 1.00 26.72 O ATOM 579 CB CYS A 40 45.071 0.062 1.594 1.00 27.42 C ATOM 580 SG CYS A 40 45.689 0.252 -0.091 1.00 27.81 S ATOM 581 HA CYS A 40 43.869 1.817 1.810 1.00 0.00 H ATOM 582 HB2 CYS A 40 44.183 -0.568 1.550 1.00 0.00 H ATOM 583 HB3 CYS A 40 45.844 -0.442 2.173 1.00 0.00 H ATOM 584 H CYS A 40 46.771 1.941 2.205 1.00 0.00 H ATOM 585 N LYS A 41 43.095 1.446 4.174 1.00 25.98 N ATOM 586 CA LYS A 41 42.532 1.047 5.459 1.00 25.12 C ATOM 587 C LYS A 41 42.261 -0.460 5.410 1.00 24.34 C ATOM 588 O LYS A 41 41.504 -0.917 4.552 1.00 24.26 O ATOM 589 CB LYS A 41 41.253 1.837 5.766 1.00 25.21 C ATOM 590 CG LYS A 41 40.710 1.619 7.170 1.00 25.56 C ATOM 591 CD LYS A 41 39.505 2.506 7.463 1.00 26.31 C ATOM 592 CE LYS A 41 38.890 2.160 8.816 1.00 27.05 C ATOM 593 NZ LYS A 41 37.715 3.014 9.161 1.00 27.87 N ATOM 594 HA LYS A 41 43.235 1.267 6.262 1.00 0.00 H ATOM 595 HB2 LYS A 41 41.468 2.898 5.643 1.00 0.00 H ATOM 596 HB3 LYS A 41 40.486 1.538 5.052 1.00 0.00 H ATOM 597 HG2 LYS A 41 40.412 0.576 7.274 1.00 0.00 H ATOM 598 HG3 LYS A 41 41.496 1.845 7.890 1.00 0.00 H ATOM 599 HD2 LYS A 41 39.823 3.549 7.471 1.00 0.00 H ATOM 600 HD3 LYS A 41 38.757 2.361 6.683 1.00 0.00 H ATOM 601 HE2 LYS A 41 39.651 2.288 9.586 1.00 0.00 H ATOM 602 HE3 LYS A 41 38.568 1.119 8.795 1.00 0.00 H ATOM 603 HZ1 LYS A 41 38.010 4.011 9.194 1.00 0.00 H ATOM 604 HZ2 LYS A 41 36.977 2.894 8.439 1.00 0.00 H ATOM 605 HZ3 LYS A 41 37.343 2.730 10.090 1.00 0.00 H ATOM 606 H LYS A 41 42.564 2.101 3.565 1.00 0.00 H ATOM 607 N PRO A 42 42.902 -1.233 6.312 1.00 23.49 N ATOM 608 CA PRO A 42 42.853 -2.700 6.328 1.00 22.80 C ATOM 609 C PRO A 42 41.439 -3.288 6.383 1.00 21.86 C ATOM 610 O PRO A 42 41.103 -4.154 5.571 1.00 21.88 O ATOM 611 CB PRO A 42 43.632 -3.060 7.597 1.00 23.11 C ATOM 612 CG PRO A 42 44.555 -1.923 7.798 1.00 23.31 C ATOM 613 CD PRO A 42 43.788 -0.713 7.370 1.00 23.61 C ATOM 614 HA PRO A 42 43.264 -3.111 5.406 1.00 0.00 H ATOM 615 HD3 PRO A 42 43.210 -0.303 8.198 1.00 0.00 H ATOM 616 HD2 PRO A 42 44.455 0.055 6.979 1.00 0.00 H ATOM 617 HG3 PRO A 42 45.450 -2.044 7.187 1.00 0.00 H ATOM 618 HG2 PRO A 42 44.841 -1.843 8.847 1.00 0.00 H ATOM 619 HB2 PRO A 42 42.958 -3.165 8.447 1.00 0.00 H ATOM 620 HB3 PRO A 42 44.187 -3.988 7.459 1.00 0.00 H ATOM 621 N VAL A 43 40.630 -2.825 7.333 1.00 20.60 N ATOM 622 CA VAL A 43 39.249 -3.298 7.487 1.00 19.30 C ATOM 623 C VAL A 43 38.290 -2.131 7.709 1.00 18.25 C ATOM 624 O VAL A 43 38.669 -1.112 8.288 1.00 17.98 O ATOM 625 CB VAL A 43 39.084 -4.327 8.649 1.00 19.43 C ATOM 626 CG1 VAL A 43 39.798 -5.646 8.334 1.00 19.69 C ATOM 627 CG2 VAL A 43 39.559 -3.753 9.985 1.00 19.65 C ATOM 628 HA VAL A 43 39.003 -3.806 6.554 1.00 0.00 H ATOM 629 HB VAL A 43 38.018 -4.537 8.742 1.00 0.00 H ATOM 630 HG11 VAL A 43 39.377 -6.078 7.426 1.00 0.00 H ATOM 631 HG12 VAL A 43 40.861 -5.456 8.188 1.00 0.00 H ATOM 632 HG13 VAL A 43 39.662 -6.339 9.165 1.00 0.00 H ATOM 633 HG21 VAL A 43 40.613 -3.486 9.910 1.00 0.00 H ATOM 634 HG22 VAL A 43 38.974 -2.866 10.226 1.00 0.00 H ATOM 635 HG23 VAL A 43 39.427 -4.500 10.767 1.00 0.00 H ATOM 636 H VAL A 43 40.989 -2.103 7.989 1.00 0.00 H ATOM 637 N ASN A 44 37.054 -2.288 7.237 1.00 16.76 N ATOM 638 CA ASN A 44 35.991 -1.305 7.471 1.00 15.67 C ATOM 639 C ASN A 44 34.614 -1.949 7.364 1.00 14.90 C ATOM 640 O ASN A 44 34.436 -2.927 6.639 1.00 15.35 O ATOM 641 CB ASN A 44 36.097 -0.124 6.499 1.00 15.54 C ATOM 642 CG ASN A 44 35.294 1.086 6.955 1.00 15.26 C ATOM 643 OD1 ASN A 44 35.576 1.671 8.003 1.00 15.89 O ATOM 644 ND2 ASN A 44 34.294 1.471 6.166 1.00 13.81 N ATOM 645 HA ASN A 44 36.120 -0.926 8.485 1.00 0.00 H ATOM 646 HB2 ASN A 44 37.145 0.165 6.413 1.00 0.00 H ATOM 647 HB3 ASN A 44 35.728 -0.441 5.524 1.00 0.00 H ATOM 648 HD22 ASN A 44 34.091 0.948 5.290 1.00 0.00 H ATOM 649 HD21 ASN A 44 33.715 2.295 6.425 1.00 0.00 H ATOM 650 H ASN A 44 36.835 -3.140 6.682 1.00 0.00 H ATOM 651 N THR A 45 33.646 -1.401 8.094 1.00 13.77 N ATOM 652 CA THR A 45 32.277 -1.904 8.052 1.00 12.61 C ATOM 653 C THR A 45 31.308 -0.772 7.706 1.00 11.89 C ATOM 654 O THR A 45 31.407 0.324 8.254 1.00 11.57 O ATOM 655 CB THR A 45 31.875 -2.572 9.394 1.00 12.51 C ATOM 656 OG1 THR A 45 32.820 -3.602 9.720 1.00 12.76 O ATOM 657 CG2 THR A 45 30.483 -3.192 9.304 1.00 12.74 C ATOM 658 HA THR A 45 32.224 -2.666 7.275 1.00 0.00 H ATOM 659 HB THR A 45 31.869 -1.803 10.166 1.00 0.00 H ATOM 660 HG1 THR A 45 32.825 -4.283 9.001 1.00 0.00 H ATOM 661 HG23 THR A 45 29.757 -2.418 9.057 1.00 0.00 H ATOM 662 HG21 THR A 45 30.477 -3.958 8.529 1.00 0.00 H ATOM 663 HG22 THR A 45 30.224 -3.642 10.263 1.00 0.00 H ATOM 664 H THR A 45 33.871 -0.594 8.710 1.00 0.00 H ATOM 665 N PHE A 46 30.394 -1.047 6.778 1.00 11.37 N ATOM 666 CA PHE A 46 29.316 -0.121 6.435 1.00 11.00 C ATOM 667 C PHE A 46 27.986 -0.677 6.940 1.00 10.88 C ATOM 668 O PHE A 46 27.733 -1.878 6.830 1.00 11.11 O ATOM 669 CB PHE A 46 29.254 0.105 4.920 1.00 10.95 C ATOM 670 CG PHE A 46 30.422 0.883 4.369 1.00 10.84 C ATOM 671 CD1 PHE A 46 30.463 2.273 4.477 1.00 11.04 C ATOM 672 CD2 PHE A 46 31.476 0.226 3.738 1.00 10.80 C ATOM 673 CE1 PHE A 46 31.537 3.003 3.964 1.00 10.63 C ATOM 674 CE2 PHE A 46 32.562 0.946 3.224 1.00 10.88 C ATOM 675 CZ PHE A 46 32.589 2.335 3.335 1.00 11.44 C ATOM 676 HA PHE A 46 29.512 0.839 6.913 1.00 0.00 H ATOM 677 HB2 PHE A 46 29.227 -0.868 4.429 1.00 0.00 H ATOM 678 HB3 PHE A 46 28.339 0.652 4.692 1.00 0.00 H ATOM 679 HD2 PHE A 46 31.455 -0.860 3.643 1.00 0.00 H ATOM 680 HE2 PHE A 46 33.384 0.421 2.738 1.00 0.00 H ATOM 681 HZ PHE A 46 33.430 2.899 2.931 1.00 0.00 H ATOM 682 HE1 PHE A 46 31.554 4.089 4.054 1.00 0.00 H ATOM 683 HD1 PHE A 46 29.644 2.797 4.969 1.00 0.00 H ATOM 684 H PHE A 46 30.449 -1.957 6.277 1.00 0.00 H ATOM 685 N VAL A 47 27.151 0.199 7.497 1.00 10.63 N ATOM 686 CA VAL A 47 25.852 -0.187 8.068 1.00 10.68 C ATOM 687 C VAL A 47 24.717 0.330 7.184 1.00 10.62 C ATOM 688 O VAL A 47 24.697 1.509 6.821 1.00 10.67 O ATOM 689 CB VAL A 47 25.678 0.350 9.516 1.00 10.55 C ATOM 690 CG1 VAL A 47 24.347 -0.108 10.117 1.00 10.51 C ATOM 691 CG2 VAL A 47 26.838 -0.100 10.404 1.00 10.23 C ATOM 692 HA VAL A 47 25.819 -1.276 8.108 1.00 0.00 H ATOM 693 HB VAL A 47 25.677 1.439 9.467 1.00 0.00 H ATOM 694 HG11 VAL A 47 23.526 0.265 9.505 1.00 0.00 H ATOM 695 HG12 VAL A 47 24.317 -1.197 10.142 1.00 0.00 H ATOM 696 HG13 VAL A 47 24.254 0.283 11.130 1.00 0.00 H ATOM 697 HG21 VAL A 47 26.870 -1.189 10.434 1.00 0.00 H ATOM 698 HG22 VAL A 47 27.775 0.281 9.997 1.00 0.00 H ATOM 699 HG23 VAL A 47 26.694 0.288 11.412 1.00 0.00 H ATOM 700 H VAL A 47 27.430 1.200 7.529 1.00 0.00 H ATOM 701 N HIS A 48 23.769 -0.551 6.864 1.00 10.83 N ATOM 702 CA HIS A 48 22.720 -0.245 5.885 1.00 11.40 C ATOM 703 C HIS A 48 21.368 0.149 6.482 1.00 11.53 C ATOM 704 O HIS A 48 20.447 0.533 5.754 1.00 11.88 O ATOM 705 CB HIS A 48 22.578 -1.398 4.892 1.00 11.55 C ATOM 706 CG HIS A 48 23.864 -1.756 4.217 1.00 12.07 C ATOM 707 ND1 HIS A 48 24.580 -0.854 3.459 1.00 12.36 N ATOM 708 CD2 HIS A 48 24.573 -2.909 4.201 1.00 12.04 C ATOM 709 CE1 HIS A 48 25.672 -1.438 2.999 1.00 12.43 C ATOM 710 NE2 HIS A 48 25.691 -2.685 3.434 1.00 12.82 N ATOM 711 HA HIS A 48 23.053 0.653 5.366 1.00 0.00 H ATOM 712 HB2 HIS A 48 22.212 -2.274 5.428 1.00 0.00 H ATOM 713 HB3 HIS A 48 21.854 -1.111 4.129 1.00 0.00 H ATOM 714 HD2 HIS A 48 24.307 -3.840 4.702 1.00 0.00 H ATOM 715 HE1 HIS A 48 26.428 -0.971 2.368 1.00 0.00 H ATOM 716 H HIS A 48 23.773 -1.484 7.323 1.00 0.00 H ATOM 717 N GLU A 49 21.257 0.066 7.804 1.00 11.80 N ATOM 718 CA GLU A 49 20.074 0.563 8.509 1.00 11.75 C ATOM 719 C GLU A 49 20.042 2.093 8.474 1.00 11.79 C ATOM 720 O GLU A 49 21.014 2.726 8.060 1.00 11.74 O ATOM 721 CB GLU A 49 20.046 0.051 9.956 1.00 11.93 C ATOM 722 CG GLU A 49 20.145 -1.466 10.103 1.00 12.39 C ATOM 723 CD GLU A 49 18.997 -2.235 9.457 1.00 13.78 C ATOM 724 OE1 GLU A 49 17.881 -1.684 9.328 1.00 14.68 O ATOM 725 OE2 GLU A 49 19.215 -3.408 9.085 1.00 13.85 O ATOM 726 HA GLU A 49 19.186 0.186 8.003 1.00 0.00 H ATOM 727 HB2 GLU A 49 20.884 0.499 10.490 1.00 0.00 H ATOM 728 HB3 GLU A 49 19.111 0.375 10.412 1.00 0.00 H ATOM 729 HG2 GLU A 49 21.077 -1.794 9.643 1.00 0.00 H ATOM 730 HG3 GLU A 49 20.162 -1.706 11.166 1.00 0.00 H ATOM 731 H GLU A 49 22.030 -0.363 8.352 1.00 0.00 H ATOM 732 N SER A 50 18.922 2.679 8.895 1.00 11.82 N ATOM 733 CA SER A 50 18.754 4.133 8.902 1.00 11.86 C ATOM 734 C SER A 50 19.650 4.800 9.941 1.00 11.85 C ATOM 735 O SER A 50 20.041 4.166 10.919 1.00 11.90 O ATOM 736 CB SER A 50 17.293 4.502 9.174 1.00 11.98 C ATOM 737 OG SER A 50 16.918 4.191 10.510 1.00 12.11 O ATOM 738 HA SER A 50 19.045 4.497 7.917 1.00 0.00 H ATOM 739 HB2 SER A 50 16.653 3.947 8.488 1.00 0.00 H ATOM 740 HB3 SER A 50 17.160 5.571 9.008 1.00 0.00 H ATOM 741 HG SER A 50 15.971 4.441 10.652 1.00 0.00 H ATOM 742 H SER A 50 18.139 2.082 9.231 1.00 0.00 H ATOM 743 N LEU A 51 19.968 6.077 9.729 1.00 12.06 N ATOM 744 CA LEU A 51 20.730 6.848 10.715 1.00 12.15 C ATOM 745 C LEU A 51 20.012 6.882 12.068 1.00 12.13 C ATOM 746 O LEU A 51 20.646 6.719 13.113 1.00 12.19 O ATOM 747 CB LEU A 51 21.025 8.272 10.217 1.00 12.31 C ATOM 748 CG LEU A 51 21.885 9.154 11.137 1.00 12.66 C ATOM 749 CD1 LEU A 51 23.291 8.576 11.320 1.00 13.14 C ATOM 750 CD2 LEU A 51 21.954 10.587 10.621 1.00 14.09 C ATOM 751 HA LEU A 51 21.685 6.341 10.851 1.00 0.00 H ATOM 752 HB2 LEU A 51 21.541 8.189 9.260 1.00 0.00 H ATOM 753 HB3 LEU A 51 20.070 8.777 10.071 1.00 0.00 H ATOM 754 HG LEU A 51 21.402 9.167 12.114 1.00 0.00 H ATOM 755 HD21 LEU A 51 22.394 10.592 9.624 1.00 0.00 H ATOM 756 HD22 LEU A 51 20.948 11.005 10.578 1.00 0.00 H ATOM 757 HD23 LEU A 51 22.569 11.185 11.294 1.00 0.00 H ATOM 758 HD11 LEU A 51 23.219 7.583 11.764 1.00 0.00 H ATOM 759 HD12 LEU A 51 23.783 8.507 10.350 1.00 0.00 H ATOM 760 HD13 LEU A 51 23.868 9.228 11.976 1.00 0.00 H ATOM 761 H LEU A 51 19.669 6.536 8.845 1.00 0.00 H ATOM 762 N ALA A 52 18.695 7.081 12.044 1.00 12.26 N ATOM 763 CA ALA A 52 17.893 7.050 13.272 1.00 12.18 C ATOM 764 C ALA A 52 18.103 5.751 14.065 1.00 12.17 C ATOM 765 O ALA A 52 18.299 5.791 15.287 1.00 12.09 O ATOM 766 CB ALA A 52 16.412 7.266 12.955 1.00 12.51 C ATOM 767 HA ALA A 52 18.234 7.869 13.905 1.00 0.00 H ATOM 768 HB1 ALA A 52 16.283 8.235 12.473 1.00 0.00 H ATOM 769 HB2 ALA A 52 16.066 6.477 12.287 1.00 0.00 H ATOM 770 HB3 ALA A 52 15.836 7.239 13.880 1.00 0.00 H ATOM 771 H ALA A 52 18.225 7.262 11.134 1.00 0.00 H ATOM 772 N ASP A 53 18.090 4.613 13.367 1.00 12.02 N ATOM 773 CA ASP A 53 18.231 3.299 14.011 1.00 11.87 C ATOM 774 C ASP A 53 19.628 3.077 14.601 1.00 11.70 C ATOM 775 O ASP A 53 19.764 2.487 15.680 1.00 11.30 O ATOM 776 CB ASP A 53 17.865 2.162 13.046 1.00 12.32 C ATOM 777 CG ASP A 53 16.356 1.946 12.920 1.00 13.18 C ATOM 778 OD1 ASP A 53 15.572 2.625 13.618 1.00 14.49 O ATOM 779 OD2 ASP A 53 15.950 1.081 12.111 1.00 15.83 O ATOM 780 HA ASP A 53 17.527 3.289 14.843 1.00 0.00 H ATOM 781 HB2 ASP A 53 18.265 2.400 12.061 1.00 0.00 H ATOM 782 HB3 ASP A 53 18.319 1.239 13.408 1.00 0.00 H ATOM 783 H ASP A 53 17.976 4.658 12.334 1.00 0.00 H ATOM 784 N VAL A 54 20.655 3.557 13.900 1.00 11.23 N ATOM 785 CA VAL A 54 22.038 3.436 14.386 1.00 10.73 C ATOM 786 C VAL A 54 22.307 4.396 15.556 1.00 10.75 C ATOM 787 O VAL A 54 22.939 4.018 16.546 1.00 10.46 O ATOM 788 CB VAL A 54 23.070 3.595 13.240 1.00 10.82 C ATOM 789 CG1 VAL A 54 24.505 3.545 13.771 1.00 10.40 C ATOM 790 CG2 VAL A 54 22.866 2.496 12.200 1.00 10.42 C ATOM 791 HA VAL A 54 22.163 2.424 14.772 1.00 0.00 H ATOM 792 HB VAL A 54 22.913 4.570 12.778 1.00 0.00 H ATOM 793 HG11 VAL A 54 24.654 4.353 14.487 1.00 0.00 H ATOM 794 HG12 VAL A 54 24.676 2.587 14.262 1.00 0.00 H ATOM 795 HG13 VAL A 54 25.202 3.660 12.941 1.00 0.00 H ATOM 796 HG21 VAL A 54 22.999 1.522 12.671 1.00 0.00 H ATOM 797 HG22 VAL A 54 21.859 2.568 11.790 1.00 0.00 H ATOM 798 HG23 VAL A 54 23.595 2.616 11.399 1.00 0.00 H ATOM 799 H VAL A 54 20.475 4.027 12.990 1.00 0.00 H ATOM 800 N GLN A 55 21.809 5.627 15.453 1.00 10.81 N ATOM 801 CA GLN A 55 21.901 6.590 16.557 1.00 11.08 C ATOM 802 C GLN A 55 21.212 6.069 17.824 1.00 11.04 C ATOM 803 O GLN A 55 21.675 6.327 18.941 1.00 11.38 O ATOM 804 CB GLN A 55 21.306 7.944 16.157 1.00 11.09 C ATOM 805 CG GLN A 55 22.191 8.767 15.226 1.00 11.55 C ATOM 806 CD GLN A 55 21.500 10.022 14.700 1.00 11.65 C ATOM 807 OE1 GLN A 55 20.269 10.094 14.633 1.00 12.72 O ATOM 808 NE2 GLN A 55 22.295 11.012 14.318 1.00 11.31 N ATOM 809 HA GLN A 55 22.960 6.722 16.777 1.00 0.00 H ATOM 810 HB2 GLN A 55 20.355 7.765 15.655 1.00 0.00 H ATOM 811 HB3 GLN A 55 21.133 8.523 17.064 1.00 0.00 H ATOM 812 HG2 GLN A 55 23.086 9.066 15.772 1.00 0.00 H ATOM 813 HG3 GLN A 55 22.475 8.145 14.377 1.00 0.00 H ATOM 814 HE22 GLN A 55 23.327 10.908 14.392 1.00 0.00 H ATOM 815 HE21 GLN A 55 21.886 11.892 13.944 1.00 0.00 H ATOM 816 H GLN A 55 21.343 5.913 14.568 1.00 0.00 H ATOM 817 N ALA A 56 20.121 5.325 17.640 1.00 10.97 N ATOM 818 CA ALA A 56 19.357 4.752 18.753 1.00 10.82 C ATOM 819 C ALA A 56 20.161 3.747 19.587 1.00 10.69 C ATOM 820 O ALA A 56 19.821 3.481 20.741 1.00 10.63 O ATOM 821 CB ALA A 56 18.079 4.105 18.238 1.00 11.03 C ATOM 822 HA ALA A 56 19.110 5.580 19.417 1.00 0.00 H ATOM 823 HB1 ALA A 56 17.469 4.857 17.736 1.00 0.00 H ATOM 824 HB2 ALA A 56 18.333 3.312 17.534 1.00 0.00 H ATOM 825 HB3 ALA A 56 17.523 3.684 19.076 1.00 0.00 H ATOM 826 H ALA A 56 19.799 5.144 16.668 1.00 0.00 H ATOM 827 N VAL A 57 21.221 3.194 19.002 1.00 10.47 N ATOM 828 CA VAL A 57 22.044 2.185 19.683 1.00 10.40 C ATOM 829 C VAL A 57 22.740 2.758 20.933 1.00 10.37 C ATOM 830 O VAL A 57 23.017 2.027 21.889 1.00 10.56 O ATOM 831 CB VAL A 57 23.051 1.507 18.702 1.00 10.24 C ATOM 832 CG1 VAL A 57 23.928 0.483 19.415 1.00 10.43 C ATOM 833 CG2 VAL A 57 22.299 0.826 17.561 1.00 10.10 C ATOM 834 HA VAL A 57 21.371 1.403 20.035 1.00 0.00 H ATOM 835 HB VAL A 57 23.696 2.290 18.302 1.00 0.00 H ATOM 836 HG11 VAL A 57 24.495 0.978 20.203 1.00 0.00 H ATOM 837 HG12 VAL A 57 23.298 -0.292 19.852 1.00 0.00 H ATOM 838 HG13 VAL A 57 24.615 0.033 18.698 1.00 0.00 H ATOM 839 HG21 VAL A 57 21.632 0.067 17.969 1.00 0.00 H ATOM 840 HG22 VAL A 57 21.716 1.569 17.017 1.00 0.00 H ATOM 841 HG23 VAL A 57 23.014 0.357 16.885 1.00 0.00 H ATOM 842 H VAL A 57 21.474 3.484 18.036 1.00 0.00 H ATOM 843 N CYS A 58 22.982 4.069 20.935 1.00 10.41 N ATOM 844 CA CYS A 58 23.614 4.751 22.070 1.00 10.78 C ATOM 845 C CYS A 58 22.785 4.693 23.356 1.00 11.01 C ATOM 846 O CYS A 58 23.286 5.023 24.429 1.00 11.02 O ATOM 847 CB CYS A 58 23.924 6.215 21.730 1.00 10.79 C ATOM 848 SG CYS A 58 25.132 6.468 20.413 1.00 10.53 S ATOM 849 HA CYS A 58 24.541 4.208 22.257 1.00 0.00 H ATOM 850 HB2 CYS A 58 24.304 6.696 22.631 1.00 0.00 H ATOM 851 HB3 CYS A 58 22.993 6.694 21.428 1.00 0.00 H ATOM 852 H CYS A 58 22.713 4.629 20.101 1.00 0.00 H ATOM 853 N SER A 59 21.523 4.279 23.242 1.00 11.42 N ATOM 854 CA SER A 59 20.653 4.127 24.409 1.00 11.84 C ATOM 855 C SER A 59 20.307 2.659 24.678 1.00 11.55 C ATOM 856 O SER A 59 19.451 2.352 25.512 1.00 11.65 O ATOM 857 CB SER A 59 19.382 4.968 24.243 1.00 12.12 C ATOM 858 OG SER A 59 18.545 4.429 23.237 1.00 14.82 O ATOM 859 HA SER A 59 21.201 4.491 25.278 1.00 0.00 H ATOM 860 HB2 SER A 59 19.661 5.985 23.968 1.00 0.00 H ATOM 861 HB3 SER A 59 18.839 4.984 25.188 1.00 0.00 H ATOM 862 HG SER A 59 19.033 4.416 22.376 1.00 0.00 H ATOM 863 H SER A 59 21.146 4.058 22.298 1.00 0.00 H ATOM 864 N GLN A 60 20.991 1.755 23.979 1.00 11.20 N ATOM 865 CA GLN A 60 20.716 0.323 24.086 1.00 11.29 C ATOM 866 C GLN A 60 21.675 -0.391 25.064 1.00 11.28 C ATOM 867 O GLN A 60 21.963 0.165 26.127 1.00 11.91 O ATOM 868 CB GLN A 60 20.615 -0.303 22.687 1.00 11.14 C ATOM 869 CG GLN A 60 19.408 0.287 21.928 1.00 10.98 C ATOM 870 CD GLN A 60 19.213 -0.206 20.498 1.00 10.88 C ATOM 871 OE1 GLN A 60 19.773 -1.217 20.076 1.00 10.70 O ATOM 872 NE2 GLN A 60 18.385 0.518 19.746 1.00 12.16 N ATOM 873 HA GLN A 60 19.739 0.179 24.547 1.00 0.00 H ATOM 874 HB2 GLN A 60 21.529 -0.093 22.131 1.00 0.00 H ATOM 875 HB3 GLN A 60 20.489 -1.381 22.782 1.00 0.00 H ATOM 876 HG2 GLN A 60 18.507 0.043 22.491 1.00 0.00 H ATOM 877 HG3 GLN A 60 19.531 1.369 21.894 1.00 0.00 H ATOM 878 HE22 GLN A 60 17.931 1.367 20.141 1.00 0.00 H ATOM 879 HE21 GLN A 60 18.192 0.235 18.764 1.00 0.00 H ATOM 880 H GLN A 60 21.744 2.077 23.338 1.00 0.00 H ATOM 881 N LYS A 61 22.151 -1.593 24.735 1.00 11.62 N ATOM 882 CA LYS A 61 22.910 -2.404 25.709 1.00 11.63 C ATOM 883 C LYS A 61 24.351 -1.943 25.930 1.00 11.58 C ATOM 884 O LYS A 61 25.184 -2.064 25.041 1.00 11.59 O ATOM 885 CB LYS A 61 22.902 -3.893 25.339 1.00 11.73 C ATOM 886 CG LYS A 61 23.519 -4.783 26.421 1.00 13.01 C ATOM 887 CD LYS A 61 23.599 -6.238 26.000 1.00 14.61 C ATOM 888 CE LYS A 61 24.315 -7.066 27.058 1.00 16.11 C ATOM 889 NZ LYS A 61 24.423 -8.507 26.689 1.00 16.88 N ATOM 890 HA LYS A 61 22.382 -2.254 26.651 1.00 0.00 H ATOM 891 HB2 LYS A 61 21.870 -4.206 25.179 1.00 0.00 H ATOM 892 HB3 LYS A 61 23.468 -4.025 24.417 1.00 0.00 H ATOM 893 HG2 LYS A 61 24.526 -4.425 26.636 1.00 0.00 H ATOM 894 HG3 LYS A 61 22.909 -4.712 27.322 1.00 0.00 H ATOM 895 HD2 LYS A 61 22.590 -6.627 25.863 1.00 0.00 H ATOM 896 HD3 LYS A 61 24.145 -6.309 25.059 1.00 0.00 H ATOM 897 HE2 LYS A 61 23.764 -6.987 27.995 1.00 0.00 H ATOM 898 HE3 LYS A 61 25.319 -6.665 27.194 1.00 0.00 H ATOM 899 HZ1 LYS A 61 23.470 -8.904 26.565 1.00 0.00 H ATOM 900 HZ2 LYS A 61 24.956 -8.597 25.800 1.00 0.00 H ATOM 901 HZ3 LYS A 61 24.919 -9.021 27.445 1.00 0.00 H ATOM 902 H LYS A 61 21.985 -1.965 23.778 1.00 0.00 H ATOM 903 N ASN A 62 24.633 -1.448 27.133 1.00 11.48 N ATOM 904 CA ASN A 62 25.983 -1.016 27.504 1.00 11.52 C ATOM 905 C ASN A 62 26.933 -2.212 27.636 1.00 11.24 C ATOM 906 O ASN A 62 26.691 -3.128 28.432 1.00 11.35 O ATOM 907 CB ASN A 62 25.939 -0.198 28.806 1.00 11.86 C ATOM 908 CG ASN A 62 27.252 0.530 29.109 1.00 12.69 C ATOM 909 OD1 ASN A 62 27.581 0.765 30.275 1.00 14.60 O ATOM 910 ND2 ASN A 62 27.992 0.900 28.070 1.00 12.84 N ATOM 911 HA ASN A 62 26.370 -0.380 26.708 1.00 0.00 H ATOM 912 HB2 ASN A 62 25.144 0.543 28.723 1.00 0.00 H ATOM 913 HB3 ASN A 62 25.719 -0.874 29.632 1.00 0.00 H ATOM 914 HD22 ASN A 62 27.677 0.682 27.103 1.00 0.00 H ATOM 915 HD21 ASN A 62 28.886 1.408 28.223 1.00 0.00 H ATOM 916 H ASN A 62 23.869 -1.365 27.834 1.00 0.00 H ATOM 917 N VAL A 63 28.003 -2.194 26.841 1.00 10.77 N ATOM 918 CA VAL A 63 29.012 -3.261 26.824 1.00 10.48 C ATOM 919 C VAL A 63 30.422 -2.656 26.879 1.00 10.46 C ATOM 920 O VAL A 63 30.613 -1.500 26.505 1.00 10.67 O ATOM 921 CB VAL A 63 28.888 -4.172 25.564 1.00 10.42 C ATOM 922 CG1 VAL A 63 27.553 -4.930 25.555 1.00 10.62 C ATOM 923 CG2 VAL A 63 29.059 -3.365 24.278 1.00 10.10 C ATOM 924 HA VAL A 63 28.836 -3.881 27.703 1.00 0.00 H ATOM 925 HB VAL A 63 29.693 -4.906 25.611 1.00 0.00 H ATOM 926 HG11 VAL A 63 27.486 -5.556 26.445 1.00 0.00 H ATOM 927 HG12 VAL A 63 26.731 -4.215 25.550 1.00 0.00 H ATOM 928 HG13 VAL A 63 27.498 -5.556 24.664 1.00 0.00 H ATOM 929 HG21 VAL A 63 28.288 -2.596 24.228 1.00 0.00 H ATOM 930 HG22 VAL A 63 30.043 -2.896 24.273 1.00 0.00 H ATOM 931 HG23 VAL A 63 28.967 -4.029 23.419 1.00 0.00 H ATOM 932 H VAL A 63 28.130 -1.384 26.201 1.00 0.00 H ATOM 933 N ALA A 64 31.404 -3.430 27.341 1.00 10.67 N ATOM 934 CA ALA A 64 32.792 -2.954 27.352 1.00 10.45 C ATOM 935 C ALA A 64 33.321 -2.736 25.935 1.00 10.50 C ATOM 936 O ALA A 64 33.071 -3.550 25.041 1.00 10.05 O ATOM 937 CB ALA A 64 33.690 -3.923 28.109 1.00 10.58 C ATOM 938 HA ALA A 64 32.804 -1.993 27.866 1.00 0.00 H ATOM 939 HB1 ALA A 64 33.340 -4.012 29.138 1.00 0.00 H ATOM 940 HB2 ALA A 64 33.657 -4.900 27.626 1.00 0.00 H ATOM 941 HB3 ALA A 64 34.713 -3.548 28.103 1.00 0.00 H ATOM 942 H ALA A 64 31.184 -4.382 27.698 1.00 0.00 H ATOM 943 N CYS A 65 34.026 -1.623 25.736 1.00 10.50 N ATOM 944 CA CYS A 65 34.734 -1.352 24.486 1.00 10.65 C ATOM 945 C CYS A 65 36.004 -2.182 24.425 1.00 10.80 C ATOM 946 O CYS A 65 36.577 -2.512 25.462 1.00 10.97 O ATOM 947 CB CYS A 65 35.134 0.121 24.386 1.00 10.53 C ATOM 948 SG CYS A 65 33.793 1.305 24.498 1.00 10.74 S ATOM 949 HA CYS A 65 34.062 -1.605 23.666 1.00 0.00 H ATOM 950 HB2 CYS A 65 35.631 0.268 23.427 1.00 0.00 H ATOM 951 HB3 CYS A 65 35.835 0.333 25.193 1.00 0.00 H ATOM 952 H CYS A 65 34.075 -0.919 26.500 1.00 0.00 H ATOM 953 N LYS A 66 36.453 -2.489 23.210 1.00 11.13 N ATOM 954 CA LYS A 66 37.687 -3.248 23.000 1.00 11.71 C ATOM 955 C LYS A 66 38.891 -2.598 23.687 1.00 12.12 C ATOM 956 O LYS A 66 39.791 -3.300 24.155 1.00 12.35 O ATOM 957 CB LYS A 66 37.957 -3.450 21.503 1.00 11.62 C ATOM 958 CG LYS A 66 37.202 -4.621 20.886 1.00 12.49 C ATOM 959 CD LYS A 66 37.284 -4.601 19.364 1.00 15.01 C ATOM 960 CE LYS A 66 36.562 -5.798 18.756 1.00 16.09 C ATOM 961 NZ LYS A 66 36.526 -5.732 17.265 1.00 18.05 N ATOM 962 HA LYS A 66 37.543 -4.225 23.462 1.00 0.00 H ATOM 963 HB2 LYS A 66 37.667 -2.540 20.977 1.00 0.00 H ATOM 964 HB3 LYS A 66 39.025 -3.622 21.368 1.00 0.00 H ATOM 965 HG2 LYS A 66 37.633 -5.553 21.252 1.00 0.00 H ATOM 966 HG3 LYS A 66 36.155 -4.565 21.185 1.00 0.00 H ATOM 967 HD2 LYS A 66 36.825 -3.684 18.995 1.00 0.00 H ATOM 968 HD3 LYS A 66 38.332 -4.628 19.064 1.00 0.00 H ATOM 969 HE2 LYS A 66 35.539 -5.821 19.132 1.00 0.00 H ATOM 970 HE3 LYS A 66 37.078 -6.710 19.056 1.00 0.00 H ATOM 971 HZ1 LYS A 66 36.029 -4.868 16.969 1.00 0.00 H ATOM 972 HZ2 LYS A 66 37.498 -5.717 16.896 1.00 0.00 H ATOM 973 HZ3 LYS A 66 36.026 -6.565 16.894 1.00 0.00 H ATOM 974 H LYS A 66 35.908 -2.179 22.381 1.00 0.00 H ATOM 975 N ASN A 67 38.885 -1.265 23.764 1.00 12.68 N ATOM 976 CA ASN A 67 39.972 -0.504 24.397 1.00 13.46 C ATOM 977 C ASN A 67 39.841 -0.320 25.915 1.00 13.52 C ATOM 978 O ASN A 67 40.684 0.329 26.541 1.00 14.22 O ATOM 979 CB ASN A 67 40.173 0.856 23.699 1.00 13.60 C ATOM 980 CG ASN A 67 39.158 1.914 24.132 1.00 14.41 C ATOM 981 OD1 ASN A 67 38.101 1.611 24.691 1.00 14.00 O ATOM 982 ND2 ASN A 67 39.487 3.176 23.866 1.00 16.01 N ATOM 983 HA ASN A 67 40.859 -1.123 24.262 1.00 0.00 H ATOM 984 HB2 ASN A 67 41.174 1.220 23.932 1.00 0.00 H ATOM 985 HB3 ASN A 67 40.083 0.709 22.623 1.00 0.00 H ATOM 986 HD22 ASN A 67 40.388 3.390 23.393 1.00 0.00 H ATOM 987 HD21 ASN A 67 38.843 3.948 24.131 1.00 0.00 H ATOM 988 H ASN A 67 38.080 -0.745 23.360 1.00 0.00 H ATOM 989 N GLY A 68 38.784 -0.881 26.500 1.00 13.45 N ATOM 990 CA GLY A 68 38.582 -0.817 27.945 1.00 13.61 C ATOM 991 C GLY A 68 37.689 0.302 28.453 1.00 13.65 C ATOM 992 O GLY A 68 37.323 0.314 29.629 1.00 13.76 O ATOM 993 HA3 GLY A 68 39.560 -0.699 28.412 1.00 0.00 H ATOM 994 HA2 GLY A 68 38.141 -1.763 28.261 1.00 0.00 H ATOM 995 H GLY A 68 38.084 -1.378 25.912 1.00 0.00 H ATOM 996 N GLN A 69 37.346 1.254 27.584 1.00 13.75 N ATOM 997 CA GLN A 69 36.408 2.314 27.957 1.00 13.79 C ATOM 998 C GLN A 69 34.997 1.742 28.115 1.00 13.62 C ATOM 999 O GLN A 69 34.713 0.647 27.631 1.00 13.32 O ATOM 1000 CB GLN A 69 36.417 3.447 26.928 1.00 14.01 C ATOM 1001 CG GLN A 69 37.627 4.366 27.028 1.00 15.37 C ATOM 1002 CD GLN A 69 37.482 5.601 26.160 1.00 17.47 C ATOM 1003 OE1 GLN A 69 36.698 6.502 26.463 1.00 19.20 O ATOM 1004 NE2 GLN A 69 38.238 5.647 25.075 1.00 18.41 N ATOM 1005 HA GLN A 69 36.727 2.729 28.913 1.00 0.00 H ATOM 1006 HB2 GLN A 69 36.403 3.005 25.932 1.00 0.00 H ATOM 1007 HB3 GLN A 69 35.518 4.047 27.071 1.00 0.00 H ATOM 1008 HG2 GLN A 69 37.746 4.678 28.066 1.00 0.00 H ATOM 1009 HG3 GLN A 69 38.513 3.816 26.711 1.00 0.00 H ATOM 1010 HE22 GLN A 69 38.886 4.863 24.859 1.00 0.00 H ATOM 1011 HE21 GLN A 69 38.184 6.467 24.438 1.00 0.00 H ATOM 1012 H GLN A 69 37.751 1.243 26.626 1.00 0.00 H ATOM 1013 N THR A 70 34.122 2.478 28.793 1.00 13.43 N ATOM 1014 CA THR A 70 32.778 1.969 29.101 1.00 13.39 C ATOM 1015 C THR A 70 31.653 2.619 28.288 1.00 12.64 C ATOM 1016 O THR A 70 30.476 2.484 28.637 1.00 13.09 O ATOM 1017 CB THR A 70 32.444 2.096 30.608 1.00 13.57 C ATOM 1018 OG1 THR A 70 32.546 3.469 31.012 1.00 15.71 O ATOM 1019 CG2 THR A 70 33.388 1.244 31.450 1.00 14.40 C ATOM 1020 HA THR A 70 32.821 0.918 28.814 1.00 0.00 H ATOM 1021 HB THR A 70 31.426 1.740 30.765 1.00 0.00 H ATOM 1022 HG1 THR A 70 32.332 3.545 31.976 1.00 0.00 H ATOM 1023 HG23 THR A 70 33.308 0.202 31.141 1.00 0.00 H ATOM 1024 HG21 THR A 70 34.412 1.589 31.307 1.00 0.00 H ATOM 1025 HG22 THR A 70 33.116 1.334 32.502 1.00 0.00 H ATOM 1026 H THR A 70 34.393 3.430 29.111 1.00 0.00 H ATOM 1027 N ASN A 71 32.007 3.310 27.209 1.00 11.62 N ATOM 1028 CA ASN A 71 31.012 4.041 26.415 1.00 10.75 C ATOM 1029 C ASN A 71 30.579 3.324 25.131 1.00 10.45 C ATOM 1030 O ASN A 71 30.273 3.968 24.123 1.00 10.03 O ATOM 1031 CB ASN A 71 31.493 5.471 26.106 1.00 10.71 C ATOM 1032 CG ASN A 71 32.752 5.502 25.250 1.00 10.87 C ATOM 1033 OD1 ASN A 71 33.689 4.738 25.475 1.00 10.02 O ATOM 1034 ND2 ASN A 71 32.777 6.397 24.264 1.00 11.24 N ATOM 1035 HA ASN A 71 30.121 4.088 27.041 1.00 0.00 H ATOM 1036 HB2 ASN A 71 30.699 5.998 25.577 1.00 0.00 H ATOM 1037 HB3 ASN A 71 31.700 5.980 27.048 1.00 0.00 H ATOM 1038 HD22 ASN A 71 31.961 7.024 24.110 1.00 0.00 H ATOM 1039 HD21 ASN A 71 33.612 6.469 23.648 1.00 0.00 H ATOM 1040 H ASN A 71 33.006 3.333 26.922 1.00 0.00 H ATOM 1041 N CYS A 72 30.547 1.993 25.174 1.00 9.93 N ATOM 1042 CA CYS A 72 30.123 1.201 24.016 1.00 9.81 C ATOM 1043 C CYS A 72 28.762 0.559 24.215 1.00 9.57 C ATOM 1044 O CYS A 72 28.376 0.233 25.339 1.00 9.80 O ATOM 1045 CB CYS A 72 31.170 0.152 23.652 1.00 9.60 C ATOM 1046 SG CYS A 72 32.626 0.879 22.897 1.00 9.60 S ATOM 1047 HA CYS A 72 30.027 1.897 23.182 1.00 0.00 H ATOM 1048 HB2 CYS A 72 30.728 -0.557 22.952 1.00 0.00 H ATOM 1049 HB3 CYS A 72 31.470 -0.374 24.558 1.00 0.00 H ATOM 1050 H CYS A 72 30.829 1.505 26.048 1.00 0.00 H ATOM 1051 N TYR A 73 28.036 0.396 23.110 1.00 9.58 N ATOM 1052 CA TYR A 73 26.656 -0.082 23.140 1.00 9.37 C ATOM 1053 C TYR A 73 26.394 -1.071 22.021 1.00 9.61 C ATOM 1054 O TYR A 73 26.808 -0.849 20.880 1.00 9.30 O ATOM 1055 CB TYR A 73 25.672 1.097 23.065 1.00 9.42 C ATOM 1056 CG TYR A 73 25.906 2.113 24.156 1.00 9.67 C ATOM 1057 CD1 TYR A 73 26.807 3.161 23.971 1.00 10.03 C ATOM 1058 CD2 TYR A 73 25.268 1.999 25.390 1.00 10.66 C ATOM 1059 CE1 TYR A 73 27.059 4.077 24.977 1.00 11.47 C ATOM 1060 CE2 TYR A 73 25.511 2.915 26.404 1.00 11.64 C ATOM 1061 CZ TYR A 73 26.407 3.953 26.188 1.00 11.22 C ATOM 1062 OH TYR A 73 26.663 4.868 27.182 1.00 12.27 O ATOM 1063 HA TYR A 73 26.501 -0.600 24.087 1.00 0.00 H ATOM 1064 HB3 TYR A 73 24.656 0.712 23.157 1.00 0.00 H ATOM 1065 HB2 TYR A 73 25.787 1.588 22.099 1.00 0.00 H ATOM 1066 HD2 TYR A 73 24.569 1.180 25.561 1.00 0.00 H ATOM 1067 HE2 TYR A 73 25.002 2.820 27.363 1.00 0.00 H ATOM 1068 HE1 TYR A 73 27.767 4.890 24.815 1.00 0.00 H ATOM 1069 HD1 TYR A 73 27.323 3.261 23.016 1.00 0.00 H ATOM 1070 HH TYR A 73 27.321 5.532 26.856 1.00 0.00 H ATOM 1071 H TYR A 73 28.468 0.618 22.190 1.00 0.00 H ATOM 1072 N GLN A 74 25.715 -2.165 22.363 1.00 9.59 N ATOM 1073 CA GLN A 74 25.378 -3.214 21.404 1.00 9.96 C ATOM 1074 C GLN A 74 23.903 -3.112 21.033 1.00 10.14 C ATOM 1075 O GLN A 74 23.055 -2.942 21.908 1.00 10.14 O ATOM 1076 CB GLN A 74 25.684 -4.595 21.993 1.00 9.95 C ATOM 1077 CG GLN A 74 25.464 -5.767 21.034 1.00 10.83 C ATOM 1078 CD GLN A 74 25.899 -7.095 21.627 1.00 12.20 C ATOM 1079 OE1 GLN A 74 26.991 -7.211 22.180 1.00 13.77 O ATOM 1080 NE2 GLN A 74 25.044 -8.105 21.514 1.00 13.00 N ATOM 1081 HA GLN A 74 25.983 -3.083 20.506 1.00 0.00 H ATOM 1082 HB2 GLN A 74 26.728 -4.606 22.308 1.00 0.00 H ATOM 1083 HB3 GLN A 74 25.042 -4.743 22.862 1.00 0.00 H ATOM 1084 HG2 GLN A 74 24.403 -5.824 20.789 1.00 0.00 H ATOM 1085 HG3 GLN A 74 26.036 -5.586 20.124 1.00 0.00 H ATOM 1086 HE22 GLN A 74 24.130 -7.962 21.038 1.00 0.00 H ATOM 1087 HE21 GLN A 74 25.288 -9.039 21.901 1.00 0.00 H ATOM 1088 H GLN A 74 25.413 -2.277 23.352 1.00 0.00 H ATOM 1089 N SER A 75 23.613 -3.208 19.736 1.00 10.45 N ATOM 1090 CA SER A 75 22.234 -3.156 19.237 1.00 10.89 C ATOM 1091 C SER A 75 21.424 -4.368 19.697 1.00 11.23 C ATOM 1092 O SER A 75 21.935 -5.488 19.722 1.00 11.21 O ATOM 1093 CB SER A 75 22.208 -3.037 17.707 1.00 10.95 C ATOM 1094 OG SER A 75 22.701 -4.208 17.077 1.00 10.73 O ATOM 1095 HA SER A 75 21.768 -2.266 19.659 1.00 0.00 H ATOM 1096 HB2 SER A 75 22.825 -2.190 17.409 1.00 0.00 H ATOM 1097 HB3 SER A 75 21.181 -2.868 17.384 1.00 0.00 H ATOM 1098 HG SER A 75 22.142 -4.982 17.338 1.00 0.00 H ATOM 1099 H SER A 75 24.390 -3.324 19.055 1.00 0.00 H ATOM 1100 N TYR A 76 20.164 -4.139 20.068 1.00 11.75 N ATOM 1101 CA TYR A 76 19.290 -5.230 20.513 1.00 12.48 C ATOM 1102 C TYR A 76 18.842 -6.106 19.347 1.00 13.04 C ATOM 1103 O TYR A 76 18.638 -7.307 19.510 1.00 13.16 O ATOM 1104 CB TYR A 76 18.066 -4.702 21.276 1.00 12.44 C ATOM 1105 CG TYR A 76 18.369 -4.147 22.653 1.00 11.88 C ATOM 1106 CD1 TYR A 76 19.025 -4.917 23.619 1.00 11.28 C ATOM 1107 CD2 TYR A 76 17.986 -2.854 22.996 1.00 11.29 C ATOM 1108 CE1 TYR A 76 19.304 -4.398 24.886 1.00 10.95 C ATOM 1109 CE2 TYR A 76 18.250 -2.332 24.257 1.00 11.49 C ATOM 1110 CZ TYR A 76 18.912 -3.101 25.195 1.00 11.36 C ATOM 1111 OH TYR A 76 19.173 -2.568 26.439 1.00 11.50 O ATOM 1112 HA TYR A 76 19.881 -5.843 21.194 1.00 0.00 H ATOM 1113 HB3 TYR A 76 17.356 -5.522 21.389 1.00 0.00 H ATOM 1114 HB2 TYR A 76 17.612 -3.909 20.682 1.00 0.00 H ATOM 1115 HD2 TYR A 76 17.468 -2.238 22.261 1.00 0.00 H ATOM 1116 HE2 TYR A 76 17.936 -1.318 24.505 1.00 0.00 H ATOM 1117 HE1 TYR A 76 19.825 -5.006 25.626 1.00 0.00 H ATOM 1118 HD1 TYR A 76 19.323 -5.938 23.380 1.00 0.00 H ATOM 1119 HH TYR A 76 19.737 -1.761 26.339 1.00 0.00 H ATOM 1120 H TYR A 76 19.793 -3.168 20.041 1.00 0.00 H ATOM 1121 N SER A 77 18.688 -5.495 18.174 1.00 14.06 N ATOM 1122 CA SER A 77 18.352 -6.238 16.961 1.00 14.78 C ATOM 1123 C SER A 77 19.561 -6.352 16.032 1.00 14.77 C ATOM 1124 O SER A 77 20.491 -5.539 16.104 1.00 14.65 O ATOM 1125 CB SER A 77 17.177 -5.578 16.239 1.00 15.10 C ATOM 1126 OG SER A 77 15.995 -5.655 17.021 1.00 16.91 O ATOM 1127 HA SER A 77 18.058 -7.246 17.252 1.00 0.00 H ATOM 1128 HB2 SER A 77 17.011 -6.086 15.289 1.00 0.00 H ATOM 1129 HB3 SER A 77 17.415 -4.531 16.053 1.00 0.00 H ATOM 1130 HG SER A 77 15.250 -5.222 16.534 1.00 0.00 H ATOM 1131 H SER A 77 18.810 -4.464 18.120 1.00 0.00 H ATOM 1132 N THR A 78 19.556 -7.371 15.176 1.00 14.59 N ATOM 1133 CA THR A 78 20.597 -7.509 14.156 1.00 14.37 C ATOM 1134 C THR A 78 20.406 -6.445 13.079 1.00 13.96 C ATOM 1135 O THR A 78 19.283 -5.999 12.826 1.00 13.93 O ATOM 1136 CB THR A 78 20.618 -8.911 13.505 1.00 14.69 C ATOM 1137 OG1 THR A 78 19.361 -9.171 12.866 1.00 15.49 O ATOM 1138 CG2 THR A 78 20.897 -9.988 14.550 1.00 15.08 C ATOM 1139 HA THR A 78 21.556 -7.375 14.657 1.00 0.00 H ATOM 1140 HB THR A 78 21.415 -8.934 12.762 1.00 0.00 H ATOM 1141 HG1 THR A 78 19.200 -8.488 12.167 1.00 0.00 H ATOM 1142 HG23 THR A 78 21.853 -9.785 15.032 1.00 0.00 H ATOM 1143 HG21 THR A 78 20.103 -9.982 15.297 1.00 0.00 H ATOM 1144 HG22 THR A 78 20.933 -10.963 14.064 1.00 0.00 H ATOM 1145 H THR A 78 18.799 -8.082 15.233 1.00 0.00 H ATOM 1146 N MET A 79 21.513 -6.036 12.463 1.00 13.19 N ATOM 1147 CA MET A 79 21.502 -4.997 11.435 1.00 12.77 C ATOM 1148 C MET A 79 22.170 -5.487 10.155 1.00 12.47 C ATOM 1149 O MET A 79 23.122 -6.266 10.206 1.00 12.39 O ATOM 1150 CB MET A 79 22.203 -3.733 11.947 1.00 12.65 C ATOM 1151 CG MET A 79 21.485 -3.048 13.107 1.00 12.65 C ATOM 1152 SD MET A 79 22.074 -1.365 13.365 1.00 12.48 S ATOM 1153 CE MET A 79 20.828 -0.726 14.475 1.00 12.94 C ATOM 1154 HA MET A 79 20.463 -4.758 11.208 1.00 0.00 H ATOM 1155 HB2 MET A 79 23.205 -4.007 12.278 1.00 0.00 H ATOM 1156 HB3 MET A 79 22.276 -3.024 11.122 1.00 0.00 H ATOM 1157 HG2 MET A 79 21.655 -3.624 14.016 1.00 0.00 H ATOM 1158 HG3 MET A 79 20.417 -3.018 12.892 1.00 0.00 H ATOM 1159 HE1 MET A 79 19.853 -0.775 13.991 1.00 0.00 H ATOM 1160 HE2 MET A 79 20.813 -1.325 15.386 1.00 0.00 H ATOM 1161 HE3 MET A 79 21.061 0.310 14.723 1.00 0.00 H ATOM 1162 H MET A 79 22.420 -6.472 12.723 1.00 0.00 H ATOM 1163 N SER A 80 21.660 -5.034 9.010 1.00 12.57 N ATOM 1164 CA SER A 80 22.271 -5.325 7.713 1.00 12.64 C ATOM 1165 C SER A 80 23.566 -4.524 7.581 1.00 12.78 C ATOM 1166 O SER A 80 23.554 -3.293 7.683 1.00 12.74 O ATOM 1167 CB SER A 80 21.302 -4.977 6.574 1.00 12.79 C ATOM 1168 OG SER A 80 21.888 -5.197 5.299 1.00 12.88 O ATOM 1169 HA SER A 80 22.497 -6.389 7.648 1.00 0.00 H ATOM 1170 HB2 SER A 80 21.021 -3.927 6.657 1.00 0.00 H ATOM 1171 HB3 SER A 80 20.411 -5.599 6.666 1.00 0.00 H ATOM 1172 HG SER A 80 22.141 -6.150 5.213 1.00 0.00 H ATOM 1173 H SER A 80 20.798 -4.453 9.040 1.00 0.00 H ATOM 1174 N ILE A 81 24.676 -5.234 7.380 1.00 12.76 N ATOM 1175 CA ILE A 81 26.005 -4.621 7.282 1.00 13.13 C ATOM 1176 C ILE A 81 26.838 -5.241 6.154 1.00 13.29 C ATOM 1177 O ILE A 81 26.526 -6.333 5.660 1.00 13.32 O ATOM 1178 CB ILE A 81 26.791 -4.699 8.632 1.00 13.06 C ATOM 1179 CG1 ILE A 81 27.021 -6.149 9.069 1.00 13.75 C ATOM 1180 CG2 ILE A 81 26.071 -3.937 9.736 1.00 12.90 C ATOM 1181 CD1 ILE A 81 28.464 -6.536 9.146 1.00 16.70 C ATOM 1182 HA ILE A 81 25.836 -3.570 7.048 1.00 0.00 H ATOM 1183 HB ILE A 81 27.761 -4.233 8.459 1.00 0.00 H ATOM 1184 HG12 ILE A 81 26.575 -6.286 10.054 1.00 0.00 H ATOM 1185 HG13 ILE A 81 26.527 -6.806 8.354 1.00 0.00 H ATOM 1186 HD11 ILE A 81 28.924 -6.417 8.165 1.00 0.00 H ATOM 1187 HD12 ILE A 81 28.973 -5.896 9.867 1.00 0.00 H ATOM 1188 HD13 ILE A 81 28.544 -7.576 9.462 1.00 0.00 H ATOM 1189 HG21 ILE A 81 25.975 -2.890 9.450 1.00 0.00 H ATOM 1190 HG22 ILE A 81 25.080 -4.366 9.885 1.00 0.00 H ATOM 1191 HG23 ILE A 81 26.644 -4.011 10.660 1.00 0.00 H ATOM 1192 H ILE A 81 24.596 -6.267 7.289 1.00 0.00 H ATOM 1193 N THR A 82 27.893 -4.532 5.754 1.00 13.46 N ATOM 1194 CA THR A 82 28.849 -5.029 4.768 1.00 13.71 C ATOM 1195 C THR A 82 30.263 -4.828 5.302 1.00 14.07 C ATOM 1196 O THR A 82 30.648 -3.706 5.648 1.00 13.84 O ATOM 1197 CB THR A 82 28.700 -4.309 3.406 1.00 13.68 C ATOM 1198 OG1 THR A 82 27.404 -4.570 2.854 1.00 14.10 O ATOM 1199 CG2 THR A 82 29.766 -4.779 2.422 1.00 14.05 C ATOM 1200 HA THR A 82 28.650 -6.088 4.604 1.00 0.00 H ATOM 1201 HB THR A 82 28.822 -3.239 3.575 1.00 0.00 H ATOM 1202 HG1 THR A 82 26.709 -4.239 3.476 1.00 0.00 H ATOM 1203 HG23 THR A 82 30.754 -4.582 2.838 1.00 0.00 H ATOM 1204 HG21 THR A 82 29.650 -5.849 2.246 1.00 0.00 H ATOM 1205 HG22 THR A 82 29.653 -4.241 1.481 1.00 0.00 H ATOM 1206 H THR A 82 28.042 -3.586 6.160 1.00 0.00 H ATOM 1207 N ASP A 83 31.020 -5.923 5.381 1.00 14.73 N ATOM 1208 CA ASP A 83 32.422 -5.877 5.793 1.00 15.56 C ATOM 1209 C ASP A 83 33.355 -5.758 4.589 1.00 15.80 C ATOM 1210 O ASP A 83 33.163 -6.427 3.571 1.00 15.77 O ATOM 1211 CB ASP A 83 32.787 -7.121 6.607 1.00 15.84 C ATOM 1212 CG ASP A 83 32.135 -7.139 7.976 1.00 17.00 C ATOM 1213 OD1 ASP A 83 32.244 -6.134 8.712 1.00 17.28 O ATOM 1214 OD2 ASP A 83 31.525 -8.172 8.324 1.00 18.84 O ATOM 1215 HA ASP A 83 32.549 -4.991 6.415 1.00 0.00 H ATOM 1216 HB2 ASP A 83 32.466 -8.005 6.056 1.00 0.00 H ATOM 1217 HB3 ASP A 83 33.869 -7.148 6.736 1.00 0.00 H ATOM 1218 H ASP A 83 30.598 -6.843 5.141 1.00 0.00 H ATOM 1219 N CYS A 84 34.358 -4.893 4.718 1.00 16.35 N ATOM 1220 CA CYS A 84 35.393 -4.731 3.703 1.00 16.90 C ATOM 1221 C CYS A 84 36.741 -5.147 4.280 1.00 18.32 C ATOM 1222 O CYS A 84 37.155 -4.647 5.328 1.00 18.20 O ATOM 1223 CB CYS A 84 35.448 -3.282 3.218 1.00 16.37 C ATOM 1224 SG CYS A 84 33.888 -2.671 2.537 1.00 14.00 S ATOM 1225 HA CYS A 84 35.155 -5.366 2.850 1.00 0.00 H ATOM 1226 HB2 CYS A 84 36.212 -3.209 2.444 1.00 0.00 H ATOM 1227 HB3 CYS A 84 35.725 -2.649 4.061 1.00 0.00 H ATOM 1228 H CYS A 84 34.406 -4.309 5.577 1.00 0.00 H ATOM 1229 N ARG A 85 37.411 -6.069 3.594 1.00 19.59 N ATOM 1230 CA ARG A 85 38.687 -6.609 4.051 1.00 21.27 C ATOM 1231 C ARG A 85 39.694 -6.554 2.907 1.00 21.88 C ATOM 1232 O ARG A 85 39.429 -7.059 1.814 1.00 21.80 O ATOM 1233 CB ARG A 85 38.504 -8.050 4.542 1.00 21.53 C ATOM 1234 CG ARG A 85 39.652 -8.598 5.381 1.00 23.60 C ATOM 1235 CD ARG A 85 39.383 -10.044 5.782 1.00 26.62 C ATOM 1236 NE ARG A 85 40.216 -10.471 6.906 1.00 29.13 N ATOM 1237 CZ ARG A 85 40.073 -11.619 7.565 1.00 29.83 C ATOM 1238 NH1 ARG A 85 39.122 -12.484 7.226 1.00 30.19 N ATOM 1239 NH2 ARG A 85 40.886 -11.905 8.575 1.00 30.68 N ATOM 1240 HA ARG A 85 39.060 -6.012 4.883 1.00 0.00 H ATOM 1241 HB2 ARG A 85 37.596 -8.089 5.145 1.00 0.00 H ATOM 1242 HB3 ARG A 85 38.387 -8.692 3.669 1.00 0.00 H ATOM 1243 HG2 ARG A 85 40.573 -8.553 4.800 1.00 0.00 H ATOM 1244 HG3 ARG A 85 39.760 -7.991 6.280 1.00 0.00 H ATOM 1245 HD2 ARG A 85 39.588 -10.689 4.928 1.00 0.00 H ATOM 1246 HD3 ARG A 85 38.335 -10.141 6.065 1.00 0.00 H ATOM 1247 HE ARG A 85 40.976 -9.831 7.213 1.00 0.00 H ATOM 1248 HH12 ARG A 85 39.021 -13.377 7.749 1.00 0.00 H ATOM 1249 HH11 ARG A 85 38.479 -12.267 6.438 1.00 0.00 H ATOM 1250 HH22 ARG A 85 40.778 -12.801 9.092 1.00 0.00 H ATOM 1251 HH21 ARG A 85 41.631 -11.233 8.849 1.00 0.00 H ATOM 1252 H ARG A 85 37.011 -6.417 2.700 1.00 0.00 H ATOM 1253 N GLU A 86 40.842 -5.933 3.165 1.00 22.87 N ATOM 1254 CA GLU A 86 41.878 -5.761 2.149 1.00 24.00 C ATOM 1255 C GLU A 86 42.419 -7.109 1.673 1.00 24.57 C ATOM 1256 O GLU A 86 42.707 -7.990 2.484 1.00 24.84 O ATOM 1257 CB GLU A 86 43.017 -4.884 2.681 1.00 24.04 C ATOM 1258 CG GLU A 86 43.853 -4.239 1.586 1.00 24.60 C ATOM 1259 CD GLU A 86 45.116 -3.562 2.099 1.00 25.04 C ATOM 1260 OE1 GLU A 86 45.384 -3.600 3.319 1.00 25.57 O ATOM 1261 OE2 GLU A 86 45.846 -2.988 1.267 1.00 25.73 O ATOM 1262 HA GLU A 86 41.424 -5.261 1.294 1.00 0.00 H ATOM 1263 HB2 GLU A 86 42.585 -4.094 3.296 1.00 0.00 H ATOM 1264 HB3 GLU A 86 43.671 -5.503 3.294 1.00 0.00 H ATOM 1265 HG2 GLU A 86 44.142 -5.011 0.873 1.00 0.00 H ATOM 1266 HG3 GLU A 86 43.242 -3.491 1.082 1.00 0.00 H ATOM 1267 H GLU A 86 41.007 -5.558 4.121 1.00 0.00 H ATOM 1268 N THR A 87 42.540 -7.259 0.355 1.00 25.42 N ATOM 1269 CA THR A 87 43.061 -8.489 -0.251 1.00 26.21 C ATOM 1270 C THR A 87 44.582 -8.574 -0.117 1.00 26.91 C ATOM 1271 O THR A 87 45.234 -7.612 0.299 1.00 26.98 O ATOM 1272 CB THR A 87 42.680 -8.610 -1.752 1.00 26.16 C ATOM 1273 OG1 THR A 87 43.278 -7.539 -2.495 1.00 26.08 O ATOM 1274 CG2 THR A 87 41.169 -8.582 -1.942 1.00 26.10 C ATOM 1275 HA THR A 87 42.600 -9.313 0.293 1.00 0.00 H ATOM 1276 HB THR A 87 43.054 -9.566 -2.119 1.00 0.00 H ATOM 1277 HG1 THR A 87 42.952 -6.673 -2.143 1.00 0.00 H ATOM 1278 HG23 THR A 87 40.718 -9.397 -1.376 1.00 0.00 H ATOM 1279 HG21 THR A 87 40.777 -7.630 -1.585 1.00 0.00 H ATOM 1280 HG22 THR A 87 40.935 -8.699 -3.000 1.00 0.00 H ATOM 1281 H THR A 87 42.255 -6.476 -0.267 1.00 0.00 H ATOM 1282 N GLY A 88 45.136 -9.730 -0.474 1.00 27.72 N ATOM 1283 CA GLY A 88 46.581 -9.949 -0.430 1.00 28.67 C ATOM 1284 C GLY A 88 47.336 -9.219 -1.526 1.00 29.27 C ATOM 1285 O GLY A 88 48.450 -8.741 -1.304 1.00 29.61 O ATOM 1286 HA3 GLY A 88 46.772 -11.017 -0.531 1.00 0.00 H ATOM 1287 HA2 GLY A 88 46.954 -9.605 0.535 1.00 0.00 H ATOM 1288 H GLY A 88 44.520 -10.504 -0.795 1.00 0.00 H ATOM 1289 N SER A 89 46.723 -9.129 -2.706 1.00 29.83 N ATOM 1290 CA SER A 89 47.350 -8.521 -3.881 1.00 30.35 C ATOM 1291 C SER A 89 47.188 -7.000 -3.926 1.00 30.52 C ATOM 1292 O SER A 89 47.758 -6.336 -4.797 1.00 30.62 O ATOM 1293 CB SER A 89 46.783 -9.142 -5.161 1.00 30.37 C ATOM 1294 OG SER A 89 45.412 -8.816 -5.319 1.00 31.03 O ATOM 1295 HA SER A 89 48.418 -8.726 -3.807 1.00 0.00 H ATOM 1296 HB2 SER A 89 46.888 -10.226 -5.109 1.00 0.00 H ATOM 1297 HB3 SER A 89 47.341 -8.765 -6.018 1.00 0.00 H ATOM 1298 HG SER A 89 45.070 -9.228 -6.152 1.00 0.00 H ATOM 1299 H SER A 89 45.758 -9.507 -2.796 1.00 0.00 H ATOM 1300 N SER A 90 46.413 -6.464 -2.984 1.00 30.77 N ATOM 1301 CA SER A 90 46.099 -5.037 -2.918 1.00 30.97 C ATOM 1302 C SER A 90 47.343 -4.165 -2.759 1.00 31.21 C ATOM 1303 O SER A 90 48.124 -4.347 -1.822 1.00 31.27 O ATOM 1304 CB SER A 90 45.121 -4.772 -1.770 1.00 30.95 C ATOM 1305 OG SER A 90 44.836 -3.391 -1.640 1.00 30.52 O ATOM 1306 HA SER A 90 45.640 -4.765 -3.868 1.00 0.00 H ATOM 1307 HB2 SER A 90 45.560 -5.133 -0.840 1.00 0.00 H ATOM 1308 HB3 SER A 90 44.192 -5.309 -1.964 1.00 0.00 H ATOM 1309 HG SER A 90 44.203 -3.255 -0.891 1.00 0.00 H ATOM 1310 H SER A 90 46.011 -7.092 -2.259 1.00 0.00 H ATOM 1311 N LYS A 91 47.513 -3.219 -3.680 1.00 31.48 N ATOM 1312 CA LYS A 91 48.663 -2.316 -3.669 1.00 31.88 C ATOM 1313 C LYS A 91 48.251 -0.859 -3.852 1.00 31.82 C ATOM 1314 O LYS A 91 47.753 -0.476 -4.913 1.00 31.96 O ATOM 1315 CB LYS A 91 49.674 -2.710 -4.756 1.00 31.99 C ATOM 1316 CG LYS A 91 50.427 -4.014 -4.502 1.00 32.76 C ATOM 1317 CD LYS A 91 51.495 -3.857 -3.423 1.00 33.85 C ATOM 1318 CE LYS A 91 52.281 -5.145 -3.222 1.00 34.40 C ATOM 1319 NZ LYS A 91 51.462 -6.226 -2.602 1.00 34.83 N ATOM 1320 HA LYS A 91 49.130 -2.411 -2.689 1.00 0.00 H ATOM 1321 HB2 LYS A 91 49.135 -2.810 -5.698 1.00 0.00 H ATOM 1322 HB3 LYS A 91 50.407 -1.908 -4.841 1.00 0.00 H ATOM 1323 HG2 LYS A 91 49.715 -4.776 -4.184 1.00 0.00 H ATOM 1324 HG3 LYS A 91 50.906 -4.330 -5.429 1.00 0.00 H ATOM 1325 HD2 LYS A 91 52.183 -3.065 -3.718 1.00 0.00 H ATOM 1326 HD3 LYS A 91 51.013 -3.586 -2.484 1.00 0.00 H ATOM 1327 HE2 LYS A 91 53.133 -4.937 -2.574 1.00 0.00 H ATOM 1328 HE3 LYS A 91 52.639 -5.491 -4.192 1.00 0.00 H ATOM 1329 HZ1 LYS A 91 51.121 -5.911 -1.671 1.00 0.00 H ATOM 1330 HZ2 LYS A 91 50.650 -6.439 -3.216 1.00 0.00 H ATOM 1331 HZ3 LYS A 91 52.046 -7.079 -2.488 1.00 0.00 H ATOM 1332 H LYS A 91 46.803 -3.119 -4.434 1.00 0.00 H ATOM 1333 N TYR A 92 48.468 -0.059 -2.808 1.00 31.84 N ATOM 1334 CA TYR A 92 48.256 1.393 -2.838 1.00 31.87 C ATOM 1335 C TYR A 92 49.015 2.013 -4.019 1.00 31.71 C ATOM 1336 O TYR A 92 50.168 1.645 -4.261 1.00 31.83 O ATOM 1337 CB TYR A 92 48.721 2.000 -1.506 1.00 31.90 C ATOM 1338 CG TYR A 92 48.559 3.503 -1.376 1.00 32.38 C ATOM 1339 CD1 TYR A 92 47.367 4.061 -0.912 1.00 32.77 C ATOM 1340 CD2 TYR A 92 49.607 4.365 -1.698 1.00 32.67 C ATOM 1341 CE1 TYR A 92 47.218 5.442 -0.786 1.00 33.05 C ATOM 1342 CE2 TYR A 92 49.469 5.744 -1.575 1.00 33.01 C ATOM 1343 CZ TYR A 92 48.275 6.276 -1.117 1.00 33.26 C ATOM 1344 OH TYR A 92 48.144 7.641 -0.994 1.00 33.45 O ATOM 1345 HA TYR A 92 47.196 1.607 -2.971 1.00 0.00 H ATOM 1346 HB3 TYR A 92 49.778 1.765 -1.381 1.00 0.00 H ATOM 1347 HB2 TYR A 92 48.149 1.531 -0.706 1.00 0.00 H ATOM 1348 HD2 TYR A 92 50.551 3.951 -2.052 1.00 0.00 H ATOM 1349 HE2 TYR A 92 50.297 6.403 -1.838 1.00 0.00 H ATOM 1350 HE1 TYR A 92 46.278 5.863 -0.430 1.00 0.00 H ATOM 1351 HD1 TYR A 92 46.538 3.406 -0.643 1.00 0.00 H ATOM 1352 HH TYR A 92 47.238 7.855 -0.657 1.00 0.00 H ATOM 1353 H TYR A 92 48.806 -0.488 -1.923 1.00 0.00 H ATOM 1354 N PRO A 93 48.384 2.957 -4.755 1.00 31.55 N ATOM 1355 CA PRO A 93 47.074 3.595 -4.546 1.00 31.29 C ATOM 1356 C PRO A 93 45.859 2.828 -5.094 1.00 30.90 C ATOM 1357 O PRO A 93 44.742 3.354 -5.067 1.00 31.04 O ATOM 1358 CB PRO A 93 47.228 4.926 -5.285 1.00 31.34 C ATOM 1359 CG PRO A 93 48.138 4.605 -6.419 1.00 31.58 C ATOM 1360 CD PRO A 93 49.066 3.513 -5.941 1.00 31.59 C ATOM 1361 HA PRO A 93 46.856 3.663 -3.480 1.00 0.00 H ATOM 1362 HD3 PRO A 93 49.194 2.749 -6.708 1.00 0.00 H ATOM 1363 HD2 PRO A 93 50.040 3.922 -5.672 1.00 0.00 H ATOM 1364 HG3 PRO A 93 48.712 5.488 -6.701 1.00 0.00 H ATOM 1365 HG2 PRO A 93 47.561 4.259 -7.276 1.00 0.00 H ATOM 1366 HB2 PRO A 93 46.264 5.281 -5.650 1.00 0.00 H ATOM 1367 HB3 PRO A 93 47.670 5.682 -4.635 1.00 0.00 H ATOM 1368 N ASN A 94 46.072 1.610 -5.586 1.00 30.30 N ATOM 1369 CA ASN A 94 44.964 0.771 -6.046 1.00 29.72 C ATOM 1370 C ASN A 94 44.564 -0.250 -4.984 1.00 28.97 C ATOM 1371 O ASN A 94 44.806 -1.452 -5.131 1.00 28.95 O ATOM 1372 CB ASN A 94 45.300 0.083 -7.376 1.00 29.87 C ATOM 1373 CG ASN A 94 45.537 1.072 -8.502 1.00 30.50 C ATOM 1374 OD1 ASN A 94 46.604 1.678 -8.594 1.00 31.37 O ATOM 1375 ND2 ASN A 94 44.543 1.231 -9.372 1.00 31.30 N ATOM 1376 HA ASN A 94 44.108 1.424 -6.218 1.00 0.00 H ATOM 1377 HB2 ASN A 94 46.201 -0.516 -7.242 1.00 0.00 H ATOM 1378 HB3 ASN A 94 44.470 -0.568 -7.652 1.00 0.00 H ATOM 1379 HD22 ASN A 94 43.658 0.697 -9.254 1.00 0.00 H ATOM 1380 HD21 ASN A 94 44.651 1.889 -10.170 1.00 0.00 H ATOM 1381 H ASN A 94 47.045 1.247 -5.645 1.00 0.00 H ATOM 1382 N CYS A 95 43.958 0.246 -3.907 1.00 27.98 N ATOM 1383 CA CYS A 95 43.519 -0.595 -2.796 1.00 27.09 C ATOM 1384 C CYS A 95 42.393 -1.530 -3.235 1.00 26.13 C ATOM 1385 O CYS A 95 41.426 -1.097 -3.864 1.00 26.20 O ATOM 1386 CB CYS A 95 43.071 0.267 -1.612 1.00 27.24 C ATOM 1387 SG CYS A 95 44.326 1.433 -1.010 1.00 27.93 S ATOM 1388 HA CYS A 95 44.364 -1.205 -2.478 1.00 0.00 H ATOM 1389 HB2 CYS A 95 42.801 -0.397 -0.791 1.00 0.00 H ATOM 1390 HB3 CYS A 95 42.195 0.838 -1.919 1.00 0.00 H ATOM 1391 H CYS A 95 43.791 1.271 -3.855 1.00 0.00 H ATOM 1392 N ALA A 96 42.539 -2.813 -2.910 1.00 25.07 N ATOM 1393 CA ALA A 96 41.579 -3.839 -3.319 1.00 23.91 C ATOM 1394 C ALA A 96 40.972 -4.538 -2.106 1.00 23.01 C ATOM 1395 O ALA A 96 41.668 -4.815 -1.128 1.00 22.87 O ATOM 1396 CB ALA A 96 42.241 -4.847 -4.250 1.00 23.99 C ATOM 1397 HA ALA A 96 40.769 -3.350 -3.861 1.00 0.00 H ATOM 1398 HB1 ALA A 96 42.610 -4.332 -5.137 1.00 0.00 H ATOM 1399 HB2 ALA A 96 43.073 -5.325 -3.733 1.00 0.00 H ATOM 1400 HB3 ALA A 96 41.512 -5.602 -4.544 1.00 0.00 H ATOM 1401 H ALA A 96 43.365 -3.096 -2.345 1.00 0.00 H ATOM 1402 N TYR A 97 39.672 -4.820 -2.184 1.00 21.90 N ATOM 1403 CA TYR A 97 38.914 -5.321 -1.040 1.00 20.81 C ATOM 1404 C TYR A 97 37.989 -6.481 -1.374 1.00 20.31 C ATOM 1405 O TYR A 97 37.449 -6.564 -2.478 1.00 20.20 O ATOM 1406 CB TYR A 97 38.075 -4.195 -0.430 1.00 20.79 C ATOM 1407 CG TYR A 97 38.890 -3.115 0.228 1.00 20.21 C ATOM 1408 CD1 TYR A 97 39.308 -1.998 -0.491 1.00 20.46 C ATOM 1409 CD2 TYR A 97 39.248 -3.213 1.570 1.00 20.32 C ATOM 1410 CE1 TYR A 97 40.070 -1.004 0.109 1.00 20.35 C ATOM 1411 CE2 TYR A 97 40.008 -2.224 2.181 1.00 20.40 C ATOM 1412 CZ TYR A 97 40.414 -1.124 1.445 1.00 20.39 C ATOM 1413 OH TYR A 97 41.168 -0.141 2.044 1.00 20.73 O ATOM 1414 HA TYR A 97 39.658 -5.690 -0.334 1.00 0.00 H ATOM 1415 HB3 TYR A 97 37.411 -4.628 0.318 1.00 0.00 H ATOM 1416 HB2 TYR A 97 37.480 -3.742 -1.223 1.00 0.00 H ATOM 1417 HD2 TYR A 97 38.927 -4.079 2.150 1.00 0.00 H ATOM 1418 HE2 TYR A 97 40.283 -2.313 3.232 1.00 0.00 H ATOM 1419 HE1 TYR A 97 40.394 -0.137 -0.467 1.00 0.00 H ATOM 1420 HD1 TYR A 97 39.033 -1.902 -1.541 1.00 0.00 H ATOM 1421 HH TYR A 97 42.013 -0.533 2.379 1.00 0.00 H ATOM 1422 H TYR A 97 39.181 -4.679 -3.090 1.00 0.00 H ATOM 1423 N LYS A 98 37.816 -7.365 -0.397 1.00 19.65 N ATOM 1424 CA LYS A 98 36.791 -8.401 -0.433 1.00 19.16 C ATOM 1425 C LYS A 98 35.525 -7.847 0.219 1.00 18.54 C ATOM 1426 O LYS A 98 35.593 -7.242 1.291 1.00 18.48 O ATOM 1427 CB LYS A 98 37.284 -9.651 0.300 1.00 19.39 C ATOM 1428 CG LYS A 98 36.229 -10.732 0.544 1.00 20.19 C ATOM 1429 CD LYS A 98 36.828 -11.982 1.198 1.00 22.35 C ATOM 1430 CE LYS A 98 37.359 -11.722 2.613 1.00 23.81 C ATOM 1431 NZ LYS A 98 36.279 -11.559 3.631 1.00 25.63 N ATOM 1432 HA LYS A 98 36.573 -8.685 -1.463 1.00 0.00 H ATOM 1433 HB2 LYS A 98 38.087 -10.092 -0.291 1.00 0.00 H ATOM 1434 HB3 LYS A 98 37.676 -9.340 1.268 1.00 0.00 H ATOM 1435 HG2 LYS A 98 35.456 -10.328 1.198 1.00 0.00 H ATOM 1436 HG3 LYS A 98 35.785 -11.013 -0.411 1.00 0.00 H ATOM 1437 HD2 LYS A 98 36.056 -12.750 1.252 1.00 0.00 H ATOM 1438 HD3 LYS A 98 37.651 -12.338 0.578 1.00 0.00 H ATOM 1439 HE2 LYS A 98 37.958 -10.812 2.596 1.00 0.00 H ATOM 1440 HE3 LYS A 98 37.987 -12.563 2.907 1.00 0.00 H ATOM 1441 HZ1 LYS A 98 35.677 -10.752 3.370 1.00 0.00 H ATOM 1442 HZ2 LYS A 98 35.704 -12.425 3.667 1.00 0.00 H ATOM 1443 HZ3 LYS A 98 36.706 -11.386 4.563 1.00 0.00 H ATOM 1444 H LYS A 98 38.441 -7.315 0.432 1.00 0.00 H ATOM 1445 N THR A 99 34.384 -8.044 -0.441 1.00 17.74 N ATOM 1446 CA THR A 99 33.087 -7.566 0.048 1.00 17.09 C ATOM 1447 C THR A 99 32.253 -8.723 0.608 1.00 17.10 C ATOM 1448 O THR A 99 31.965 -9.687 -0.105 1.00 16.81 O ATOM 1449 CB THR A 99 32.293 -6.848 -1.076 1.00 16.91 C ATOM 1450 OG1 THR A 99 33.033 -5.715 -1.544 1.00 16.15 O ATOM 1451 CG2 THR A 99 30.926 -6.378 -0.585 1.00 16.65 C ATOM 1452 HA THR A 99 33.285 -6.852 0.847 1.00 0.00 H ATOM 1453 HB THR A 99 32.144 -7.564 -1.884 1.00 0.00 H ATOM 1454 HG1 THR A 99 33.906 -6.017 -1.900 1.00 0.00 H ATOM 1455 HG23 THR A 99 30.356 -7.235 -0.227 1.00 0.00 H ATOM 1456 HG21 THR A 99 31.059 -5.663 0.227 1.00 0.00 H ATOM 1457 HG22 THR A 99 30.391 -5.901 -1.406 1.00 0.00 H ATOM 1458 H THR A 99 34.415 -8.560 -1.343 1.00 0.00 H ATOM 1459 N THR A 100 31.864 -8.616 1.878 1.00 16.90 N ATOM 1460 CA THR A 100 31.053 -9.649 2.525 1.00 17.25 C ATOM 1461 C THR A 100 29.854 -9.053 3.269 1.00 17.24 C ATOM 1462 O THR A 100 30.018 -8.284 4.219 1.00 17.29 O ATOM 1463 CB THR A 100 31.896 -10.531 3.484 1.00 17.19 C ATOM 1464 OG1 THR A 100 33.053 -11.020 2.796 1.00 17.89 O ATOM 1465 CG2 THR A 100 31.083 -11.724 3.992 1.00 17.25 C ATOM 1466 HA THR A 100 30.673 -10.285 1.725 1.00 0.00 H ATOM 1467 HB THR A 100 32.192 -9.917 4.335 1.00 0.00 H ATOM 1468 HG1 THR A 100 33.588 -11.582 3.411 1.00 0.00 H ATOM 1469 HG23 THR A 100 30.199 -11.362 4.518 1.00 0.00 H ATOM 1470 HG21 THR A 100 30.778 -12.340 3.146 1.00 0.00 H ATOM 1471 HG22 THR A 100 31.695 -12.316 4.672 1.00 0.00 H ATOM 1472 H THR A 100 32.144 -7.776 2.424 1.00 0.00 H ATOM 1473 N GLN A 101 28.655 -9.419 2.821 1.00 17.49 N ATOM 1474 CA GLN A 101 27.413 -8.987 3.459 1.00 17.72 C ATOM 1475 C GLN A 101 27.099 -9.854 4.671 1.00 17.43 C ATOM 1476 O GLN A 101 27.379 -11.058 4.673 1.00 17.73 O ATOM 1477 CB GLN A 101 26.250 -9.054 2.469 1.00 17.96 C ATOM 1478 CG GLN A 101 26.226 -7.919 1.463 1.00 19.35 C ATOM 1479 CD GLN A 101 24.973 -7.925 0.619 1.00 21.14 C ATOM 1480 OE1 GLN A 101 24.861 -8.687 -0.342 1.00 22.20 O ATOM 1481 NE2 GLN A 101 24.016 -7.072 0.975 1.00 21.74 N ATOM 1482 HA GLN A 101 27.546 -7.956 3.786 1.00 0.00 H ATOM 1483 HB2 GLN A 101 26.319 -9.995 1.923 1.00 0.00 H ATOM 1484 HB3 GLN A 101 25.318 -9.031 3.034 1.00 0.00 H ATOM 1485 HG2 GLN A 101 26.282 -6.973 2.001 1.00 0.00 H ATOM 1486 HG3 GLN A 101 27.091 -8.014 0.807 1.00 0.00 H ATOM 1487 HE22 GLN A 101 24.155 -6.447 1.795 1.00 0.00 H ATOM 1488 HE21 GLN A 101 23.129 -7.030 0.434 1.00 0.00 H ATOM 1489 H GLN A 101 28.600 -10.036 1.985 1.00 0.00 H ATOM 1490 N ALA A 102 26.515 -9.237 5.696 1.00 16.86 N ATOM 1491 CA ALA A 102 26.176 -9.930 6.940 1.00 16.40 C ATOM 1492 C ALA A 102 24.982 -9.290 7.644 1.00 16.11 C ATOM 1493 O ALA A 102 24.611 -8.151 7.354 1.00 15.98 O ATOM 1494 CB ALA A 102 27.386 -9.964 7.877 1.00 16.31 C ATOM 1495 HA ALA A 102 25.895 -10.950 6.678 1.00 0.00 H ATOM 1496 HB1 ALA A 102 28.207 -10.489 7.389 1.00 0.00 H ATOM 1497 HB2 ALA A 102 27.693 -8.944 8.110 1.00 0.00 H ATOM 1498 HB3 ALA A 102 27.117 -10.483 8.797 1.00 0.00 H ATOM 1499 H ALA A 102 26.291 -8.225 5.610 1.00 0.00 H ATOM 1500 N ASN A 103 24.385 -10.044 8.562 1.00 15.85 N ATOM 1501 CA ASN A 103 23.321 -9.549 9.432 1.00 15.75 C ATOM 1502 C ASN A 103 23.697 -9.850 10.871 1.00 15.24 C ATOM 1503 O ASN A 103 23.602 -10.996 11.316 1.00 15.14 O ATOM 1504 CB ASN A 103 21.989 -10.208 9.083 1.00 16.09 C ATOM 1505 CG ASN A 103 21.425 -9.711 7.778 1.00 17.35 C ATOM 1506 OD1 ASN A 103 20.769 -8.669 7.729 1.00 20.62 O ATOM 1507 ND2 ASN A 103 21.668 -10.458 6.708 1.00 19.35 N ATOM 1508 HA ASN A 103 23.206 -8.474 9.294 1.00 0.00 H ATOM 1509 HB2 ASN A 103 22.140 -11.285 9.012 1.00 0.00 H ATOM 1510 HB3 ASN A 103 21.274 -9.994 9.877 1.00 0.00 H ATOM 1511 HD22 ASN A 103 22.227 -11.330 6.799 1.00 0.00 H ATOM 1512 HD21 ASN A 103 21.299 -10.171 5.779 1.00 0.00 H ATOM 1513 H ASN A 103 24.690 -11.033 8.666 1.00 0.00 H ATOM 1514 N LYS A 104 24.154 -8.822 11.582 1.00 14.72 N ATOM 1515 CA LYS A 104 24.730 -8.996 12.916 1.00 14.27 C ATOM 1516 C LYS A 104 24.403 -7.825 13.834 1.00 13.59 C ATOM 1517 O LYS A 104 24.022 -6.745 13.375 1.00 13.24 O ATOM 1518 CB LYS A 104 26.257 -9.140 12.824 1.00 14.51 C ATOM 1519 CG LYS A 104 26.739 -10.246 11.897 1.00 15.71 C ATOM 1520 CD LYS A 104 28.238 -10.214 11.699 1.00 17.46 C ATOM 1521 CE LYS A 104 28.929 -11.270 12.531 1.00 18.84 C ATOM 1522 NZ LYS A 104 30.215 -11.667 11.896 1.00 19.74 N ATOM 1523 HA LYS A 104 24.291 -9.901 13.336 1.00 0.00 H ATOM 1524 HB2 LYS A 104 26.666 -8.195 12.466 1.00 0.00 H ATOM 1525 HB3 LYS A 104 26.639 -9.345 13.824 1.00 0.00 H ATOM 1526 HG2 LYS A 104 26.462 -11.209 12.326 1.00 0.00 H ATOM 1527 HG3 LYS A 104 26.254 -10.128 10.928 1.00 0.00 H ATOM 1528 HD2 LYS A 104 28.460 -10.390 10.647 1.00 0.00 H ATOM 1529 HD3 LYS A 104 28.613 -9.233 11.989 1.00 0.00 H ATOM 1530 HE2 LYS A 104 28.283 -12.144 12.612 1.00 0.00 H ATOM 1531 HE3 LYS A 104 29.127 -10.872 13.526 1.00 0.00 H ATOM 1532 HZ1 LYS A 104 30.028 -12.050 10.947 1.00 0.00 H ATOM 1533 HZ2 LYS A 104 30.834 -10.835 11.820 1.00 0.00 H ATOM 1534 HZ3 LYS A 104 30.678 -12.393 12.479 1.00 0.00 H ATOM 1535 H LYS A 104 24.100 -7.866 11.177 1.00 0.00 H ATOM 1536 N HIS A 105 24.564 -8.049 15.138 1.00 12.91 N ATOM 1537 CA HIS A 105 24.493 -6.973 16.114 1.00 12.41 C ATOM 1538 C HIS A 105 25.746 -6.119 15.975 1.00 11.87 C ATOM 1539 O HIS A 105 26.845 -6.646 15.760 1.00 12.03 O ATOM 1540 CB HIS A 105 24.387 -7.525 17.537 1.00 12.71 C ATOM 1541 CG HIS A 105 23.165 -8.358 17.774 1.00 12.84 C ATOM 1542 ND1 HIS A 105 23.194 -9.735 17.785 1.00 14.82 N ATOM 1543 CD2 HIS A 105 21.879 -8.007 18.008 1.00 13.00 C ATOM 1544 CE1 HIS A 105 21.977 -10.197 18.013 1.00 13.73 C ATOM 1545 NE2 HIS A 105 21.160 -9.169 18.150 1.00 14.41 N ATOM 1546 HA HIS A 105 23.602 -6.374 15.928 1.00 0.00 H ATOM 1547 HB2 HIS A 105 25.265 -8.140 17.734 1.00 0.00 H ATOM 1548 HB3 HIS A 105 24.370 -6.685 18.231 1.00 0.00 H ATOM 1549 HD2 HIS A 105 21.487 -6.992 18.072 1.00 0.00 H ATOM 1550 HE1 HIS A 105 21.696 -11.248 18.077 1.00 0.00 H ATOM 1551 H HIS A 105 24.745 -9.019 15.466 1.00 0.00 H ATOM 1552 N ILE A 106 25.579 -4.805 16.066 1.00 11.15 N ATOM 1553 CA ILE A 106 26.723 -3.890 15.983 1.00 10.74 C ATOM 1554 C ILE A 106 27.060 -3.327 17.358 1.00 9.89 C ATOM 1555 O ILE A 106 26.181 -3.188 18.205 1.00 9.83 O ATOM 1556 CB ILE A 106 26.495 -2.736 14.958 1.00 10.97 C ATOM 1557 CG1 ILE A 106 25.229 -1.929 15.277 1.00 11.66 C ATOM 1558 CG2 ILE A 106 26.413 -3.284 13.541 1.00 11.65 C ATOM 1559 CD1 ILE A 106 25.476 -0.660 16.050 1.00 15.74 C ATOM 1560 HA ILE A 106 27.569 -4.473 15.620 1.00 0.00 H ATOM 1561 HB ILE A 106 27.351 -2.065 15.036 1.00 0.00 H ATOM 1562 HG12 ILE A 106 24.746 -1.666 14.336 1.00 0.00 H ATOM 1563 HG13 ILE A 106 24.561 -2.560 15.863 1.00 0.00 H ATOM 1564 HD11 ILE A 106 25.947 -0.902 17.003 1.00 0.00 H ATOM 1565 HD12 ILE A 106 26.132 -0.007 15.474 1.00 0.00 H ATOM 1566 HD13 ILE A 106 24.527 -0.155 16.230 1.00 0.00 H ATOM 1567 HG21 ILE A 106 27.344 -3.795 13.296 1.00 0.00 H ATOM 1568 HG22 ILE A 106 25.583 -3.987 13.472 1.00 0.00 H ATOM 1569 HG23 ILE A 106 26.254 -2.462 12.843 1.00 0.00 H ATOM 1570 H ILE A 106 24.623 -4.418 16.198 1.00 0.00 H ATOM 1571 N ILE A 107 28.337 -3.019 17.573 1.00 9.16 N ATOM 1572 CA ILE A 107 28.780 -2.343 18.786 1.00 8.70 C ATOM 1573 C ILE A 107 29.447 -1.025 18.386 1.00 8.69 C ATOM 1574 O ILE A 107 30.377 -1.016 17.579 1.00 8.57 O ATOM 1575 CB ILE A 107 29.747 -3.217 19.636 1.00 8.61 C ATOM 1576 CG1 ILE A 107 29.050 -4.510 20.081 1.00 8.33 C ATOM 1577 CG2 ILE A 107 30.250 -2.434 20.851 1.00 8.58 C ATOM 1578 CD1 ILE A 107 29.977 -5.559 20.665 1.00 9.27 C ATOM 1579 HA ILE A 107 27.912 -2.154 19.417 1.00 0.00 H ATOM 1580 HB ILE A 107 30.605 -3.482 19.018 1.00 0.00 H ATOM 1581 HG12 ILE A 107 28.308 -4.253 20.837 1.00 0.00 H ATOM 1582 HG13 ILE A 107 28.550 -4.942 19.214 1.00 0.00 H ATOM 1583 HD11 ILE A 107 30.720 -5.841 19.919 1.00 0.00 H ATOM 1584 HD12 ILE A 107 30.478 -5.151 21.543 1.00 0.00 H ATOM 1585 HD13 ILE A 107 29.397 -6.436 20.951 1.00 0.00 H ATOM 1586 HG21 ILE A 107 30.781 -1.544 20.514 1.00 0.00 H ATOM 1587 HG22 ILE A 107 29.402 -2.140 21.469 1.00 0.00 H ATOM 1588 HG23 ILE A 107 30.925 -3.062 21.433 1.00 0.00 H ATOM 1589 H ILE A 107 29.043 -3.269 16.851 1.00 0.00 H ATOM 1590 N VAL A 108 28.933 0.080 18.924 1.00 8.59 N ATOM 1591 CA VAL A 108 29.480 1.417 18.656 1.00 8.76 C ATOM 1592 C VAL A 108 29.841 2.143 19.953 1.00 8.64 C ATOM 1593 O VAL A 108 29.260 1.868 21.007 1.00 8.97 O ATOM 1594 CB VAL A 108 28.497 2.305 17.831 1.00 8.93 C ATOM 1595 CG1 VAL A 108 28.252 1.705 16.445 1.00 8.79 C ATOM 1596 CG2 VAL A 108 27.171 2.511 18.578 1.00 9.26 C ATOM 1597 HA VAL A 108 30.382 1.260 18.065 1.00 0.00 H ATOM 1598 HB VAL A 108 28.962 3.282 17.702 1.00 0.00 H ATOM 1599 HG11 VAL A 108 29.198 1.636 15.908 1.00 0.00 H ATOM 1600 HG12 VAL A 108 27.820 0.710 16.552 1.00 0.00 H ATOM 1601 HG13 VAL A 108 27.564 2.343 15.891 1.00 0.00 H ATOM 1602 HG21 VAL A 108 26.701 1.544 18.754 1.00 0.00 H ATOM 1603 HG22 VAL A 108 27.365 3.001 19.532 1.00 0.00 H ATOM 1604 HG23 VAL A 108 26.509 3.134 17.976 1.00 0.00 H ATOM 1605 H VAL A 108 28.113 -0.007 19.558 1.00 0.00 H ATOM 1606 N ALA A 109 30.809 3.054 19.871 1.00 8.60 N ATOM 1607 CA ALA A 109 31.122 3.960 20.975 1.00 8.61 C ATOM 1608 C ALA A 109 30.419 5.297 20.759 1.00 8.88 C ATOM 1609 O ALA A 109 30.402 5.816 19.643 1.00 8.98 O ATOM 1610 CB ALA A 109 32.623 4.168 21.089 1.00 8.61 C ATOM 1611 HA ALA A 109 30.768 3.515 21.905 1.00 0.00 H ATOM 1612 HB1 ALA A 109 33.109 3.209 21.270 1.00 0.00 H ATOM 1613 HB2 ALA A 109 33.000 4.598 20.161 1.00 0.00 H ATOM 1614 HB3 ALA A 109 32.833 4.845 21.917 1.00 0.00 H ATOM 1615 H ALA A 109 31.361 3.123 18.992 1.00 0.00 H ATOM 1616 N CYS A 110 29.851 5.850 21.826 1.00 9.04 N ATOM 1617 CA CYS A 110 29.112 7.111 21.742 1.00 9.36 C ATOM 1618 C CYS A 110 29.715 8.194 22.633 1.00 9.63 C ATOM 1619 O CYS A 110 30.232 7.906 23.713 1.00 9.19 O ATOM 1620 CB CYS A 110 27.634 6.901 22.080 1.00 9.49 C ATOM 1621 SG CYS A 110 26.833 5.598 21.112 1.00 9.30 S ATOM 1622 HA CYS A 110 29.191 7.457 20.711 1.00 0.00 H ATOM 1623 HB2 CYS A 110 27.105 7.837 21.899 1.00 0.00 H ATOM 1624 HB3 CYS A 110 27.558 6.640 23.136 1.00 0.00 H ATOM 1625 H CYS A 110 29.934 5.373 22.747 1.00 0.00 H ATOM 1626 N GLU A 111 29.642 9.436 22.158 1.00 10.22 N ATOM 1627 CA GLU A 111 30.186 10.605 22.858 1.00 11.01 C ATOM 1628 C GLU A 111 29.355 11.846 22.542 1.00 11.35 C ATOM 1629 O GLU A 111 28.640 11.885 21.536 1.00 11.39 O ATOM 1630 CB GLU A 111 31.631 10.884 22.419 1.00 11.20 C ATOM 1631 CG GLU A 111 32.696 9.924 22.955 1.00 12.84 C ATOM 1632 CD GLU A 111 34.109 10.309 22.529 1.00 15.18 C ATOM 1633 OE1 GLU A 111 35.070 9.729 23.067 1.00 18.13 O ATOM 1634 OE2 GLU A 111 34.268 11.188 21.661 1.00 17.53 O ATOM 1635 HA GLU A 111 30.158 10.387 23.926 1.00 0.00 H ATOM 1636 HB2 GLU A 111 31.662 10.842 21.330 1.00 0.00 H ATOM 1637 HB3 GLU A 111 31.892 11.889 22.750 1.00 0.00 H ATOM 1638 HG2 GLU A 111 32.648 9.924 24.044 1.00 0.00 H ATOM 1639 HG3 GLU A 111 32.481 8.922 22.583 1.00 0.00 H ATOM 1640 H GLU A 111 29.174 9.585 21.241 1.00 0.00 H ATOM 1641 N GLY A 112 29.464 12.853 23.406 1.00 11.75 N ATOM 1642 CA GLY A 112 28.960 14.194 23.120 1.00 12.41 C ATOM 1643 C GLY A 112 27.545 14.525 23.547 1.00 12.89 C ATOM 1644 O GLY A 112 26.851 13.717 24.165 1.00 12.71 O ATOM 1645 HA3 GLY A 112 29.016 14.339 22.041 1.00 0.00 H ATOM 1646 HA2 GLY A 112 29.623 14.903 23.616 1.00 0.00 H ATOM 1647 H GLY A 112 29.926 12.678 24.321 1.00 0.00 H ATOM 1648 N ASN A 113 27.147 15.752 23.219 1.00 13.51 N ATOM 1649 CA ASN A 113 25.788 16.238 23.392 1.00 14.24 C ATOM 1650 C ASN A 113 25.347 16.916 22.090 1.00 14.04 C ATOM 1651 O ASN A 113 25.794 18.030 21.794 1.00 14.36 O ATOM 1652 CB ASN A 113 25.720 17.207 24.577 1.00 14.61 C ATOM 1653 CG ASN A 113 24.370 17.885 24.707 1.00 16.20 C ATOM 1654 OD1 ASN A 113 23.337 17.321 24.347 1.00 17.62 O ATOM 1655 ND2 ASN A 113 24.374 19.108 25.228 1.00 18.62 N ATOM 1656 HA ASN A 113 25.114 15.410 23.610 1.00 0.00 H ATOM 1657 HB2 ASN A 113 25.920 16.651 25.493 1.00 0.00 H ATOM 1658 HB3 ASN A 113 26.483 17.974 24.444 1.00 0.00 H ATOM 1659 HD22 ASN A 113 25.271 19.546 25.519 1.00 0.00 H ATOM 1660 HD21 ASN A 113 23.480 19.626 25.345 1.00 0.00 H ATOM 1661 H ASN A 113 27.851 16.402 22.815 1.00 0.00 H ATOM 1662 N PRO A 114 24.474 16.253 21.301 1.00 13.86 N ATOM 1663 CA PRO A 114 23.785 14.988 21.581 1.00 13.47 C ATOM 1664 C PRO A 114 24.709 13.767 21.611 1.00 13.07 C ATOM 1665 O PRO A 114 25.760 13.765 20.973 1.00 12.91 O ATOM 1666 CB PRO A 114 22.792 14.868 20.421 1.00 13.71 C ATOM 1667 CG PRO A 114 23.436 15.604 19.308 1.00 14.02 C ATOM 1668 CD PRO A 114 24.155 16.756 19.951 1.00 13.81 C ATOM 1669 HA PRO A 114 23.332 15.002 22.572 1.00 0.00 H ATOM 1670 HD3 PRO A 114 25.064 17.004 19.402 1.00 0.00 H ATOM 1671 HD2 PRO A 114 23.513 17.635 20.004 1.00 0.00 H ATOM 1672 HG3 PRO A 114 22.685 15.967 18.606 1.00 0.00 H ATOM 1673 HG2 PRO A 114 24.141 14.960 18.783 1.00 0.00 H ATOM 1674 HB2 PRO A 114 22.635 13.823 20.153 1.00 0.00 H ATOM 1675 HB3 PRO A 114 21.836 15.322 20.682 1.00 0.00 H ATOM 1676 N TYR A 115 24.292 12.748 22.360 1.00 12.40 N ATOM 1677 CA TYR A 115 25.052 11.506 22.528 1.00 11.63 C ATOM 1678 C TYR A 115 24.883 10.642 21.284 1.00 11.48 C ATOM 1679 O TYR A 115 23.833 10.026 21.083 1.00 11.60 O ATOM 1680 CB TYR A 115 24.555 10.779 23.780 1.00 11.49 C ATOM 1681 CG TYR A 115 25.514 9.789 24.412 1.00 10.65 C ATOM 1682 CD1 TYR A 115 26.791 10.179 24.820 1.00 10.75 C ATOM 1683 CD2 TYR A 115 25.119 8.473 24.654 1.00 11.00 C ATOM 1684 CE1 TYR A 115 27.664 9.269 25.422 1.00 10.51 C ATOM 1685 CE2 TYR A 115 25.981 7.558 25.260 1.00 10.47 C ATOM 1686 CZ TYR A 115 27.247 7.962 25.645 1.00 10.85 C ATOM 1687 OH TYR A 115 28.099 7.055 26.245 1.00 10.60 O ATOM 1688 HA TYR A 115 26.113 11.722 22.654 1.00 0.00 H ATOM 1689 HB3 TYR A 115 23.648 10.237 23.511 1.00 0.00 H ATOM 1690 HB2 TYR A 115 24.316 11.534 24.529 1.00 0.00 H ATOM 1691 HD2 TYR A 115 24.118 8.153 24.364 1.00 0.00 H ATOM 1692 HE2 TYR A 115 25.659 6.531 25.429 1.00 0.00 H ATOM 1693 HE1 TYR A 115 28.666 9.582 25.715 1.00 0.00 H ATOM 1694 HD1 TYR A 115 27.112 11.209 24.667 1.00 0.00 H ATOM 1695 HH TYR A 115 27.686 6.718 27.079 1.00 0.00 H ATOM 1696 H TYR A 115 23.380 12.838 22.851 1.00 0.00 H ATOM 1697 N VAL A 116 25.922 10.613 20.448 1.00 11.14 N ATOM 1698 CA VAL A 116 25.855 9.995 19.117 1.00 10.95 C ATOM 1699 C VAL A 116 27.064 9.085 18.850 1.00 10.68 C ATOM 1700 O VAL A 116 28.089 9.216 19.522 1.00 10.80 O ATOM 1701 CB VAL A 116 25.741 11.068 17.988 1.00 10.95 C ATOM 1702 CG1 VAL A 116 24.380 11.775 18.038 1.00 11.16 C ATOM 1703 CG2 VAL A 116 26.886 12.070 18.060 1.00 10.64 C ATOM 1704 HA VAL A 116 24.953 9.383 19.106 1.00 0.00 H ATOM 1705 HB VAL A 116 25.815 10.553 17.030 1.00 0.00 H ATOM 1706 HG11 VAL A 116 23.585 11.041 17.905 1.00 0.00 H ATOM 1707 HG12 VAL A 116 24.263 12.268 19.003 1.00 0.00 H ATOM 1708 HG13 VAL A 116 24.328 12.517 17.241 1.00 0.00 H ATOM 1709 HG21 VAL A 116 26.864 12.577 19.025 1.00 0.00 H ATOM 1710 HG22 VAL A 116 27.834 11.545 17.946 1.00 0.00 H ATOM 1711 HG23 VAL A 116 26.777 12.803 17.261 1.00 0.00 H ATOM 1712 H VAL A 116 26.817 11.046 20.751 1.00 0.00 H ATOM 1713 N PRO A 117 26.947 8.158 17.874 1.00 10.44 N ATOM 1714 CA PRO A 117 28.076 7.283 17.558 1.00 10.00 C ATOM 1715 C PRO A 117 29.282 8.034 16.995 1.00 9.87 C ATOM 1716 O PRO A 117 29.128 8.899 16.129 1.00 9.65 O ATOM 1717 CB PRO A 117 27.503 6.336 16.496 1.00 10.22 C ATOM 1718 CG PRO A 117 26.025 6.364 16.717 1.00 10.20 C ATOM 1719 CD PRO A 117 25.742 7.783 17.109 1.00 10.40 C ATOM 1720 HA PRO A 117 28.452 6.784 18.451 1.00 0.00 H ATOM 1721 HD3 PRO A 117 25.621 8.417 16.230 1.00 0.00 H ATOM 1722 HD2 PRO A 117 24.847 7.849 17.728 1.00 0.00 H ATOM 1723 HG3 PRO A 117 25.739 5.677 17.514 1.00 0.00 H ATOM 1724 HG2 PRO A 117 25.492 6.101 15.804 1.00 0.00 H ATOM 1725 HB2 PRO A 117 27.749 6.688 15.494 1.00 0.00 H ATOM 1726 HB3 PRO A 117 27.893 5.327 16.630 1.00 0.00 H ATOM 1727 N VAL A 118 30.470 7.698 17.493 1.00 9.82 N ATOM 1728 CA VAL A 118 31.722 8.297 17.006 1.00 10.04 C ATOM 1729 C VAL A 118 32.763 7.251 16.576 1.00 10.03 C ATOM 1730 O VAL A 118 33.799 7.599 16.005 1.00 10.30 O ATOM 1731 CB VAL A 118 32.351 9.283 18.040 1.00 10.16 C ATOM 1732 CG1 VAL A 118 31.437 10.481 18.272 1.00 10.20 C ATOM 1733 CG2 VAL A 118 32.664 8.581 19.358 1.00 10.23 C ATOM 1734 HA VAL A 118 31.438 8.864 16.119 1.00 0.00 H ATOM 1735 HB VAL A 118 33.291 9.644 17.623 1.00 0.00 H ATOM 1736 HG11 VAL A 118 31.285 11.008 17.330 1.00 0.00 H ATOM 1737 HG12 VAL A 118 30.477 10.135 18.655 1.00 0.00 H ATOM 1738 HG13 VAL A 118 31.898 11.153 18.996 1.00 0.00 H ATOM 1739 HG21 VAL A 118 31.744 8.176 19.780 1.00 0.00 H ATOM 1740 HG22 VAL A 118 33.370 7.770 19.178 1.00 0.00 H ATOM 1741 HG23 VAL A 118 33.101 9.297 20.055 1.00 0.00 H ATOM 1742 H VAL A 118 30.514 6.988 18.252 1.00 0.00 H ATOM 1743 N HIS A 119 32.481 5.976 16.846 1.00 9.95 N ATOM 1744 CA HIS A 119 33.428 4.893 16.576 1.00 9.95 C ATOM 1745 C HIS A 119 32.684 3.579 16.377 1.00 9.61 C ATOM 1746 O HIS A 119 31.764 3.265 17.135 1.00 9.53 O ATOM 1747 CB HIS A 119 34.425 4.774 17.735 1.00 10.48 C ATOM 1748 CG HIS A 119 35.290 3.552 17.684 1.00 11.34 C ATOM 1749 ND1 HIS A 119 35.131 2.491 18.550 1.00 13.41 N ATOM 1750 CD2 HIS A 119 36.333 3.229 16.884 1.00 12.24 C ATOM 1751 CE1 HIS A 119 36.036 1.567 18.283 1.00 11.59 C ATOM 1752 NE2 HIS A 119 36.777 1.989 17.275 1.00 13.37 N ATOM 1753 HA HIS A 119 33.976 5.119 15.661 1.00 0.00 H ATOM 1754 HB2 HIS A 119 35.072 5.651 17.720 1.00 0.00 H ATOM 1755 HB3 HIS A 119 33.862 4.755 18.668 1.00 0.00 H ATOM 1756 HD2 HIS A 119 36.744 3.839 16.080 1.00 0.00 H ATOM 1757 HE1 HIS A 119 36.152 0.618 18.806 1.00 0.00 H ATOM 1758 H HIS A 119 31.557 5.743 17.263 1.00 0.00 H ATOM 1759 N PHE A 120 33.074 2.823 15.352 1.00 9.08 N ATOM 1760 CA PHE A 120 32.531 1.480 15.146 1.00 9.18 C ATOM 1761 C PHE A 120 33.475 0.472 15.785 1.00 9.19 C ATOM 1762 O PHE A 120 34.620 0.333 15.349 1.00 9.51 O ATOM 1763 CB PHE A 120 32.347 1.172 13.655 1.00 9.12 C ATOM 1764 CG PHE A 120 31.555 -0.083 13.389 1.00 8.96 C ATOM 1765 CD1 PHE A 120 30.187 -0.015 13.150 1.00 9.29 C ATOM 1766 CD2 PHE A 120 32.175 -1.332 13.388 1.00 9.00 C ATOM 1767 CE1 PHE A 120 29.443 -1.170 12.913 1.00 9.11 C ATOM 1768 CE2 PHE A 120 31.439 -2.494 13.151 1.00 9.15 C ATOM 1769 CZ PHE A 120 30.072 -2.412 12.915 1.00 9.17 C ATOM 1770 HA PHE A 120 31.547 1.418 15.611 1.00 0.00 H ATOM 1771 HB2 PHE A 120 31.829 2.011 13.191 1.00 0.00 H ATOM 1772 HB3 PHE A 120 33.332 1.060 13.202 1.00 0.00 H ATOM 1773 HD2 PHE A 120 33.247 -1.402 13.574 1.00 0.00 H ATOM 1774 HE2 PHE A 120 31.936 -3.464 13.151 1.00 0.00 H ATOM 1775 HZ PHE A 120 29.494 -3.318 12.732 1.00 0.00 H ATOM 1776 HE1 PHE A 120 28.371 -1.101 12.727 1.00 0.00 H ATOM 1777 HD1 PHE A 120 29.689 0.955 13.148 1.00 0.00 H ATOM 1778 H PHE A 120 33.779 3.195 14.684 1.00 0.00 H ATOM 1779 N ASP A 121 32.998 -0.227 16.816 1.00 9.30 N ATOM 1780 CA ASP A 121 33.871 -1.100 17.613 1.00 9.59 C ATOM 1781 C ASP A 121 33.938 -2.548 17.126 1.00 9.91 C ATOM 1782 O ASP A 121 35.026 -3.121 17.044 1.00 10.06 O ATOM 1783 CB ASP A 121 33.490 -1.061 19.100 1.00 9.71 C ATOM 1784 CG ASP A 121 34.676 -1.351 20.019 1.00 9.98 C ATOM 1785 OD1 ASP A 121 35.764 -0.787 19.782 1.00 8.75 O ATOM 1786 OD2 ASP A 121 34.516 -2.125 20.987 1.00 11.01 O ATOM 1787 HA ASP A 121 34.872 -0.690 17.478 1.00 0.00 H ATOM 1788 HB2 ASP A 121 33.100 -0.071 19.335 1.00 0.00 H ATOM 1789 HB3 ASP A 121 32.716 -1.807 19.282 1.00 0.00 H ATOM 1790 H ASP A 121 31.990 -0.153 17.060 1.00 0.00 H ATOM 1791 N ALA A 122 32.781 -3.137 16.825 1.00 10.31 N ATOM 1792 CA ALA A 122 32.693 -4.554 16.463 1.00 10.99 C ATOM 1793 C ALA A 122 31.323 -4.920 15.900 1.00 11.60 C ATOM 1794 O ALA A 122 30.359 -4.173 16.051 1.00 11.55 O ATOM 1795 CB ALA A 122 32.994 -5.431 17.688 1.00 11.11 C ATOM 1796 HA ALA A 122 33.434 -4.734 15.684 1.00 0.00 H ATOM 1797 HB1 ALA A 122 33.999 -5.215 18.050 1.00 0.00 H ATOM 1798 HB2 ALA A 122 32.270 -5.216 18.474 1.00 0.00 H ATOM 1799 HB3 ALA A 122 32.926 -6.482 17.407 1.00 0.00 H ATOM 1800 H ALA A 122 31.909 -2.570 16.848 1.00 0.00 H ATOM 1801 N SER A 123 31.255 -6.074 15.241 1.00 12.38 N ATOM 1802 CA SER A 123 29.980 -6.719 14.946 1.00 13.42 C ATOM 1803 C SER A 123 30.020 -8.111 15.564 1.00 13.99 C ATOM 1804 O SER A 123 31.081 -8.738 15.610 1.00 14.09 O ATOM 1805 CB SER A 123 29.716 -6.783 13.440 1.00 13.46 C ATOM 1806 OG SER A 123 30.629 -7.643 12.785 1.00 14.59 O ATOM 1807 HA SER A 123 29.160 -6.140 15.370 1.00 0.00 H ATOM 1808 HB2 SER A 123 29.811 -5.781 13.021 1.00 0.00 H ATOM 1809 HB3 SER A 123 28.703 -7.150 13.274 1.00 0.00 H ATOM 1810 HG SER A 123 30.428 -7.659 11.816 1.00 0.00 H ATOM 1811 H SER A 123 32.136 -6.529 14.927 1.00 0.00 H ATOM 1812 N VAL A 124 28.877 -8.579 16.055 1.00 14.63 N ATOM 1813 CA VAL A 124 28.820 -9.850 16.787 1.00 15.58 C ATOM 1814 C VAL A 124 27.627 -10.721 16.398 1.00 15.90 C ATOM 1815 O VAL A 124 26.557 -10.242 16.016 1.00 16.10 O ATOM 1816 CB VAL A 124 28.849 -9.653 18.334 1.00 15.62 C ATOM 1817 CG1 VAL A 124 30.234 -9.207 18.802 1.00 16.26 C ATOM 1818 CG2 VAL A 124 27.774 -8.673 18.792 1.00 16.12 C ATOM 1819 HA VAL A 124 29.726 -10.378 16.489 1.00 0.00 H ATOM 1820 OXT VAL A 124 27.717 -11.946 16.475 1.00 16.47 O ATOM 1821 HB VAL A 124 28.631 -10.617 18.794 1.00 0.00 H ATOM 1822 HG11 VAL A 124 30.969 -9.965 18.531 1.00 0.00 H ATOM 1823 HG12 VAL A 124 30.491 -8.262 18.323 1.00 0.00 H ATOM 1824 HG13 VAL A 124 30.226 -9.077 19.884 1.00 0.00 H ATOM 1825 HG21 VAL A 124 27.940 -7.706 18.317 1.00 0.00 H ATOM 1826 HG22 VAL A 124 26.793 -9.054 18.510 1.00 0.00 H ATOM 1827 HG23 VAL A 124 27.824 -8.561 19.875 1.00 0.00 H ATOM 1828 H VAL A 124 28.003 -8.032 15.917 1.00 0.00 H TER 1829 VAL A 124 HETATM 1830 O HOH 1 38.225 14.042 10.385 1.00 26.65 O HETATM 1831 O HOH 2 37.145 14.386 12.951 1.00 40.11 O HETATM 1832 O HOH 3 32.136 14.482 6.352 1.00 23.92 O HETATM 1833 O HOH 4 34.211 15.346 4.479 1.00 35.91 O HETATM 1834 O HOH 5 32.038 17.087 7.064 1.00 28.64 O HETATM 1835 O HOH 6 26.146 15.771 13.071 1.00 25.96 O HETATM 1836 O HOH 7 26.550 15.604 16.760 1.00 19.98 O HETATM 1837 O HOH 8 36.776 11.184 15.694 1.00 31.20 O HETATM 1838 O HOH 9 32.652 16.993 19.116 1.00 27.76 O HETATM 1839 O HOH 10 36.556 15.425 16.853 1.00 31.12 O HETATM 1840 O HOH 11 28.360 17.210 13.264 1.00 29.28 O HETATM 1841 O HOH 12 29.257 16.947 16.213 1.00 29.87 O HETATM 1842 O HOH 13 31.494 18.113 10.104 1.00 28.02 O HETATM 1843 O HOH 14 32.191 14.265 20.136 1.00 26.58 O HETATM 1844 O HOH 15 34.551 9.624 14.329 1.00 16.20 O HETATM 1845 O HOH 16 34.083 16.479 16.950 1.00 26.75 O HETATM 1846 O HOH 17 25.056 13.843 15.088 1.00 14.54 O HETATM 1847 O HOH 18 26.597 1.288 -3.866 1.00 26.30 O HETATM 1848 O HOH 19 30.997 14.984 16.968 1.00 16.18 O HETATM 1849 O HOH 20 29.638 12.893 7.030 1.00 19.41 O HETATM 1850 O HOH 21 39.833 11.628 9.573 1.00 36.20 O HETATM 1851 O HOH 22 20.461 1.700 -5.377 1.00 35.29 O HETATM 1852 O HOH 23 26.361 8.457 5.481 1.00 17.35 O HETATM 1853 O HOH 24 23.294 13.762 10.816 1.00 24.04 O HETATM 1854 O HOH 25 24.628 8.859 7.712 1.00 19.22 O HETATM 1855 O HOH 26 25.278 11.489 13.838 1.00 15.25 O HETATM 1856 O HOH 27 26.955 14.106 10.925 1.00 23.64 O HETATM 1857 O HOH 28 25.300 -1.475 -3.417 1.00 25.41 O HETATM 1858 O HOH 29 20.754 13.645 17.505 1.00 31.82 O HETATM 1859 O HOH 30 22.576 17.474 15.358 1.00 36.49 O HETATM 1860 O HOH 31 35.541 -9.340 -9.270 1.00 34.57 O HETATM 1861 O HOH 32 34.470 6.996 12.674 1.00 17.22 O HETATM 1862 O HOH 33 35.891 3.552 -7.778 1.00 39.65 O HETATM 1863 O HOH 34 35.120 7.751 -6.264 1.00 29.62 O HETATM 1864 O HOH 35 23.940 0.324 0.083 1.00 20.88 O HETATM 1865 O HOH 36 23.938 6.735 4.534 1.00 19.55 O HETATM 1866 O HOH 37 22.187 7.330 7.086 1.00 14.61 O HETATM 1867 O HOH 38 19.615 1.115 -2.927 1.00 42.96 O HETATM 1868 O HOH 39 17.924 1.698 -0.856 1.00 39.93 O HETATM 1869 O HOH 40 19.621 -6.764 2.201 1.00 37.23 O HETATM 1870 O HOH 41 17.185 -1.753 15.548 1.00 16.17 O HETATM 1871 O HOH 42 20.284 10.797 18.903 1.00 27.91 O HETATM 1872 O HOH 43 22.648 14.825 15.707 1.00 22.11 O HETATM 1873 O HOH 44 24.764 -2.358 -0.621 1.00 22.07 O HETATM 1874 O HOH 45 29.236 -2.915 -8.932 1.00 21.85 O HETATM 1875 O HOH 46 26.814 -2.789 -5.116 1.00 18.56 O HETATM 1876 O HOH 47 23.773 2.572 29.737 1.00 21.36 O HETATM 1877 O HOH 48 26.035 3.232 33.581 1.00 27.77 O HETATM 1878 O HOH 49 25.449 -3.034 32.532 1.00 25.08 O HETATM 1879 O HOH 50 22.200 -4.001 29.953 1.00 19.38 O HETATM 1880 O HOH 51 35.099 -5.057 -3.380 1.00 12.93 O HETATM 1881 O HOH 52 30.559 -5.362 30.777 1.00 25.09 O HETATM 1882 O HOH 53 33.305 -8.104 -9.804 1.00 21.40 O HETATM 1883 O HOH 54 40.159 -7.440 20.919 1.00 24.38 O HETATM 1884 O HOH 55 36.100 -6.597 -12.222 1.00 44.32 O HETATM 1885 O HOH 56 29.151 -11.416 21.805 1.00 22.10 O HETATM 1886 O HOH 57 35.754 -3.999 -8.099 1.00 31.66 O HETATM 1887 O HOH 58 34.342 5.113 -6.164 1.00 28.35 O HETATM 1888 O HOH 59 33.935 2.599 -9.855 1.00 26.69 O HETATM 1889 O HOH 60 30.950 4.528 -4.364 1.00 30.81 O HETATM 1890 O HOH 61 29.926 7.232 -1.343 1.00 19.80 O HETATM 1891 O HOH 62 40.337 -7.447 -6.415 1.00 33.21 O HETATM 1892 O HOH 63 36.906 13.368 3.764 1.00 34.38 O HETATM 1893 O HOH 64 44.021 5.769 -3.667 1.00 29.78 O HETATM 1894 O HOH 65 40.908 3.430 -3.918 1.00 40.36 O HETATM 1895 O HOH 66 19.472 16.753 20.696 1.00 35.59 O HETATM 1896 O HOH 67 48.437 -0.825 7.024 1.00 36.67 O HETATM 1897 O HOH 68 40.086 -0.175 20.271 1.00 22.16 O HETATM 1898 O HOH 69 25.104 -15.360 16.345 1.00 22.06 O HETATM 1899 O HOH 70 41.302 -0.878 9.585 1.00 29.04 O HETATM 1900 O HOH 71 17.942 1.598 5.569 1.00 21.00 O HETATM 1901 O HOH 72 17.781 -5.736 8.981 1.00 31.28 O HETATM 1902 O HOH 73 16.741 0.792 9.460 1.00 13.12 O HETATM 1903 O HOH 74 14.308 4.715 10.754 1.00 24.61 O HETATM 1904 O HOH 75 17.435 7.674 17.162 1.00 16.49 O HETATM 1905 O HOH 76 17.937 0.845 16.786 1.00 13.83 O HETATM 1906 O HOH 77 17.699 -1.253 12.805 1.00 25.13 O HETATM 1907 O HOH 78 13.406 0.674 11.246 1.00 45.26 O HETATM 1908 O HOH 79 18.358 10.177 16.613 1.00 23.21 O HETATM 1909 O HOH 80 21.693 13.665 12.974 1.00 18.20 O HETATM 1910 O HOH 81 19.959 7.002 21.412 1.00 25.88 O HETATM 1911 O HOH 82 18.462 10.697 12.673 1.00 24.94 O HETATM 1912 O HOH 83 22.858 5.677 26.967 1.00 27.06 O HETATM 1913 O HOH 84 17.262 3.303 21.610 1.00 24.37 O HETATM 1914 O HOH 85 18.439 -2.489 17.841 1.00 18.22 O HETATM 1915 O HOH 86 21.880 2.373 27.864 1.00 26.51 O HETATM 1916 O HOH 87 15.872 1.788 20.610 1.00 20.14 O HETATM 1917 O HOH 88 21.701 -9.137 28.025 1.00 20.16 O HETATM 1918 O HOH 89 26.609 -9.011 28.875 1.00 25.64 O HETATM 1919 O HOH 90 25.278 1.266 31.839 1.00 39.78 O HETATM 1920 O HOH 91 29.911 0.207 32.114 1.00 33.86 O HETATM 1921 O HOH 92 24.867 -4.379 29.783 1.00 30.61 O HETATM 1922 O HOH 93 27.740 -1.995 31.656 1.00 30.33 O HETATM 1923 O HOH 94 30.669 -0.711 29.693 1.00 28.37 O HETATM 1924 O HOH 95 30.210 -6.007 28.289 1.00 28.24 O HETATM 1925 O HOH 96 31.492 -2.819 30.890 1.00 26.22 O HETATM 1926 O HOH 97 32.033 -6.214 25.317 1.00 11.12 O HETATM 1927 O HOH 98 41.014 -5.852 23.147 1.00 26.90 O HETATM 1928 O HOH 99 41.538 -3.437 26.197 1.00 14.48 O HETATM 1929 O HOH 100 43.215 3.425 26.399 1.00 60.50 O HETATM 1930 O HOH 101 39.616 7.151 23.174 1.00 25.22 O HETATM 1931 O HOH 102 28.951 -8.893 22.797 1.00 16.10 O HETATM 1932 O HOH 103 22.169 -7.768 21.453 1.00 20.42 O HETATM 1933 O HOH 104 18.480 -0.024 26.909 1.00 16.25 O HETATM 1934 O HOH 105 17.243 -9.171 15.438 1.00 29.61 O HETATM 1935 O HOH 106 16.743 -7.251 12.611 1.00 25.50 O HETATM 1936 O HOH 107 23.763 -6.984 4.533 1.00 22.89 O HETATM 1937 O HOH 108 31.197 -9.223 10.648 1.00 29.31 O HETATM 1938 O HOH 109 49.499 -6.641 -6.865 1.00 34.22 O HETATM 1939 O HOH 110 44.417 -5.708 -7.141 1.00 30.79 O HETATM 1940 O HOH 111 51.055 -1.335 -1.157 1.00 27.66 O HETATM 1941 O HOH 112 39.602 1.107 -3.336 1.00 24.60 O HETATM 1942 O HOH 113 38.122 -7.164 -4.959 1.00 29.02 O HETATM 1943 O HOH 114 35.046 -9.156 3.479 1.00 21.39 O HETATM 1944 O HOH 115 35.696 -9.539 6.139 1.00 26.98 O HETATM 1945 O HOH 116 34.570 -8.975 -3.134 1.00 19.10 O HETATM 1946 O HOH 117 34.218 -13.453 3.457 1.00 29.98 O HETATM 1947 O HOH 118 28.683 -11.541 0.899 1.00 25.91 O HETATM 1948 O HOH 119 23.620 -10.801 0.808 1.00 50.39 O HETATM 1949 O HOH 120 23.631 -12.836 13.247 1.00 33.69 O HETATM 1950 O HOH 121 19.456 -7.950 9.941 1.00 33.42 O HETATM 1951 O HOH 122 19.179 -8.090 5.757 1.00 39.42 O HETATM 1952 O HOH 123 25.197 -12.675 9.169 1.00 23.29 O HETATM 1953 O HOH 124 32.638 -12.512 10.369 1.00 29.94 O HETATM 1954 O HOH 125 29.020 -14.612 10.973 1.00 43.27 O HETATM 1955 O HOH 126 31.134 8.778 26.272 1.00 8.79 O HETATM 1956 O HOH 127 29.591 13.571 19.287 1.00 17.76 O HETATM 1957 O HOH 128 34.042 12.548 19.698 1.00 26.56 O HETATM 1958 O HOH 129 25.148 14.148 26.410 1.00 19.17 O HETATM 1959 O HOH 130 21.250 17.784 22.688 1.00 41.55 O HETATM 1960 O HOH 131 27.914 19.841 23.350 1.00 26.63 O HETATM 1961 O HOH 132 28.041 17.899 19.168 1.00 34.29 O HETATM 1962 O HOH 133 28.918 17.171 21.509 1.00 40.88 O HETATM 1963 O HOH 134 27.446 15.254 19.505 1.00 15.30 O HETATM 1964 O HOH 135 22.439 8.917 19.155 1.00 18.39 O HETATM 1965 O HOH 136 21.626 13.218 23.699 1.00 28.57 O HETATM 1966 O HOH 137 27.386 9.812 14.072 1.00 10.48 O HETATM 1967 O HOH 138 35.159 4.239 13.721 1.00 13.80 O HETATM 1968 O HOH 139 37.524 0.412 21.590 1.00 11.13 O HETATM 1969 O HOH 140 33.084 -4.180 22.168 1.00 8.36 O HETATM 1970 O HOH 141 37.411 -1.849 17.326 1.00 40.97 O HETATM 1971 O HOH 142 33.930 -7.110 14.476 1.00 19.30 O HETATM 1972 O HOH 143 32.279 -6.085 11.457 1.00 21.65 O HETATM 1973 O HOH 144 33.340 -9.481 16.968 1.00 26.51 O HETATM 1974 O HOH 145 31.730 -11.084 14.209 1.00 31.72 O HETATM 1975 O HOH 146 26.926 -13.711 14.296 1.00 21.79 O HETATM 1976 O HOH 147 24.355 -11.700 15.532 1.00 24.51 O HETATM 1977 O HOH 148 29.664 -13.629 17.688 1.00 38.16 O HETATM 1978 O HOH 149 37.389 5.050 14.837 1.00 18.64 O HETATM 1979 N1A SFB A 150 35.362 5.994 22.383 1.00 -0.27 N HETATM 1980 C2A SFB A 150 35.766 6.915 21.492 1.00 0.05 C HETATM 1981 N3A SFB A 150 36.718 6.630 20.587 1.00 -0.27 N HETATM 1982 C4A SFB A 150 37.294 5.399 20.554 1.00 0.16 C HETATM 1983 C5A SFB A 150 36.895 4.432 21.464 1.00 0.10 C HETATM 1984 C6A SFB A 150 35.908 4.753 22.393 1.00 0.13 C HETATM 1985 N6A SFB A 150 35.494 3.833 23.295 1.00 -0.32 N HETATM 1986 H23 SFB A 150 35.912 2.891 23.299 1.00 0.18 H HETATM 1987 H24 SFB A 150 34.761 4.074 23.977 1.00 0.18 H HETATM 1988 N7A SFB A 150 37.616 3.321 21.212 1.00 -0.30 N HETATM 1989 C8A SFB A 150 38.443 3.594 20.174 1.00 0.11 C HETATM 1990 N9A SFB A 150 38.238 4.860 19.776 1.00 -0.19 N HETATM 1991 C1B SFB A 150 38.935 5.586 18.682 1.00 0.20 C HETATM 1992 C2B SFB A 150 40.369 5.878 19.102 1.00 0.14 C HETATM 1993 O2B SFB A 150 40.460 7.229 19.557 1.00 -0.38 O HETATM 1994 H7 SFB A 150 40.207 7.816 18.854 1.00 0.21 H HETATM 1995 C3B SFB A 150 41.209 5.652 17.859 1.00 0.12 C HETATM 1996 O3B SFB A 150 41.925 6.836 17.493 1.00 -0.39 O HETATM 1997 H11 SFB A 150 41.308 7.537 17.318 1.00 0.21 H HETATM 1998 C4B SFB A 150 40.206 5.279 16.771 1.00 0.13 C HETATM 1999 O4B SFB A 150 39.013 4.864 17.452 1.00 -0.33 O HETATM 2000 C5B SFB A 150 40.705 4.193 15.820 1.00 0.16 C HETATM 2001 N3S SFB A 150 40.459 2.933 16.510 1.00 -0.22 N HETATM 2002 SAS SFB A 150 40.280 1.632 15.743 1.00 0.04 S HETATM 2003 C1S SFB A 150 39.285 1.851 14.421 1.00 0.09 C HETATM 2004 C3C SFB A 150 38.841 0.499 13.876 1.00 0.01 C HETATM 2005 C2C SFB A 150 37.398 0.545 13.402 1.00 0.01 C HETATM 2006 C1C SFB A 150 37.386 -0.251 12.099 1.00 0.18 C HETATM 2007 N1D SFB A 150 36.596 -1.492 12.230 1.00 -0.16 N HETATM 2008 C2D SFB A 150 35.447 -1.689 11.424 1.00 0.33 C HETATM 2009 O2D SFB A 150 35.092 -0.816 10.604 1.00 -0.38 O HETATM 2010 N3D SFB A 150 34.725 -2.816 11.535 1.00 -0.19 N HETATM 2011 C4D SFB A 150 35.071 -3.778 12.406 1.00 0.18 C HETATM 2012 O4D SFB A 150 34.385 -4.820 12.495 1.00 -0.41 O HETATM 2013 C5D SFB A 150 36.196 -3.618 13.211 1.00 0.01 C HETATM 2014 C6D SFB A 150 36.952 -2.453 13.102 1.00 0.06 C HETATM 2015 H25 SFB A 150 37.835 -2.319 13.725 1.00 0.12 H HETATM 2016 H22 SFB A 150 36.482 -4.395 13.918 1.00 0.03 H HETATM 2017 H13 SFB A 150 33.917 -2.941 10.960 1.00 0.23 H HETATM 2018 O4C SFB A 150 38.746 -0.544 11.747 1.00 -0.34 O HETATM 2019 C4C SFB A 150 39.662 0.036 12.680 1.00 0.09 C HETATM 2020 C5C SFB A 150 40.735 -0.983 13.058 1.00 0.07 C HETATM 2021 O5C SFB A 150 40.147 -2.144 13.659 1.00 -0.39 O HETATM 2022 H21 SFB A 150 39.545 -2.547 13.044 1.00 0.21 H HETATM 2023 H19 SFB A 150 41.434 -0.522 13.772 1.00 0.06 H HETATM 2024 H20 SFB A 150 41.282 -1.284 12.152 1.00 0.06 H HETATM 2025 H16 SFB A 150 40.154 0.907 12.223 1.00 0.06 H HETATM 2026 H2 SFB A 150 36.935 0.365 11.308 1.00 0.10 H HETATM 2027 H8 SFB A 150 36.732 0.082 14.145 1.00 0.03 H HETATM 2028 H9 SFB A 150 37.082 1.583 13.224 1.00 0.03 H HETATM 2029 H12 SFB A 150 38.937 -0.241 14.684 1.00 0.03 H HETATM 2030 H3 SFB A 150 38.400 2.431 14.723 1.00 0.05 H HETATM 2031 H4 SFB A 150 39.833 2.397 13.639 1.00 0.05 H HETATM 2032 O1S SFB A 150 39.690 0.635 16.670 1.00 -0.16 O HETATM 2033 O2S SFB A 150 41.610 1.155 15.297 1.00 -0.16 O HETATM 2034 H14 SFB A 150 40.407 2.924 17.509 1.00 0.17 H HETATM 2035 O5B SFB A 150 42.107 4.338 15.550 1.00 -0.37 O HETATM 2036 H18 SFB A 150 42.258 5.161 15.101 1.00 0.21 H HETATM 2037 H17 SFB A 150 40.146 4.230 14.873 1.00 0.08 H HETATM 2038 H15 SFB A 150 39.987 6.175 16.171 1.00 0.07 H HETATM 2039 H10 SFB A 150 41.923 4.832 18.023 1.00 0.06 H HETATM 2040 H6 SFB A 150 40.686 5.197 19.905 1.00 0.07 H HETATM 2041 H1 SFB A 150 38.401 6.531 18.503 1.00 0.10 H HETATM 2042 H26 SFB A 150 39.157 2.900 19.734 1.00 0.13 H HETATM 2043 H5 SFB A 150 35.318 7.902 21.503 1.00 0.10 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 343 342 1224 CONECT 580 579 1387 CONECT 848 847 1621 CONECT 948 947 1046 CONECT 1046 948 1045 CONECT 1224 343 1223 CONECT 1387 580 1386 CONECT 1621 848 1620 CONECT 1979 1980 1984 CONECT 1980 1979 1981 2043 CONECT 1981 1980 1982 CONECT 1982 1981 1983 1990 CONECT 1983 1982 1984 1988 CONECT 1984 1979 1983 1985 CONECT 1985 1984 1986 1987 CONECT 1986 1985 CONECT 1987 1985 CONECT 1988 1983 1989 CONECT 1989 1988 1990 2042 CONECT 1990 1982 1989 1991 CONECT 1991 1990 1992 1999 2041 CONECT 1992 1991 1993 1995 2040 CONECT 1993 1992 1994 CONECT 1994 1993 CONECT 1995 1992 1996 1998 2039 CONECT 1996 1995 1997 CONECT 1997 1996 CONECT 1998 1995 1999 2000 2038 CONECT 1999 1991 1998 CONECT 2000 1998 2001 2035 2037 CONECT 2001 2000 2002 2034 CONECT 2002 2001 2003 2032 2033 CONECT 2003 2002 2004 2030 2031 CONECT 2004 2003 2005 2019 2029 CONECT 2005 2004 2006 2027 2028 CONECT 2006 2005 2007 2018 2026 CONECT 2007 2006 2008 2014 CONECT 2008 2007 2009 2010 CONECT 2009 2008 CONECT 2010 2008 2011 2017 CONECT 2011 2010 2012 2013 CONECT 2012 2011 CONECT 2013 2011 2014 2016 CONECT 2014 2007 2013 2015 CONECT 2015 2014 CONECT 2016 2013 CONECT 2017 2010 CONECT 2018 2006 2019 CONECT 2019 2004 2018 2020 2025 CONECT 2020 2019 2021 2023 2024 CONECT 2021 2020 2022 CONECT 2022 2021 CONECT 2023 2020 CONECT 2024 2020 CONECT 2025 2019 CONECT 2026 2006 CONECT 2027 2005 CONECT 2028 2005 CONECT 2029 2004 CONECT 2030 2003 CONECT 2031 2003 CONECT 2032 2002 CONECT 2033 2002 CONECT 2034 2001 CONECT 2035 2000 2036 CONECT 2036 2035 CONECT 2037 2000 CONECT 2038 1998 CONECT 2039 1995 CONECT 2040 1992 CONECT 2041 1991 CONECT 2042 1989 CONECT 2043 1980 MASTER 0 0 0 0 0 0 0 0 2042 1 77 10 END
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Structure:
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Related entries of code: 2xoi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
1afk
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PDBbind
124aa, >1AFK_1|Chains... at 99%
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124aa, >1AFL_1|Chains... at 99%
1dfj
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124aa, >1DFJ_1|Chain... at 99%
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104aa, >1J7Z_2|Chain... at 99%
1j80
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PDBbind
104aa, >1J80_2|Chain... at 99%
1j81
RCSB PDB
PDBbind
104aa, >1J81_2|Chain... at 99%
1jn4
RCSB PDB
PDBbind
124aa, >1JN4_1|Chains... at 99%
1jvu
RCSB PDB
PDBbind
124aa, >1JVU_1|Chains... at 99%
1o0f
RCSB PDB
PDBbind
124aa, >1O0F_1|Chains... at 99%
1o0h
RCSB PDB
PDBbind
124aa, >1O0H_1|Chains... at 99%
1o0m
RCSB PDB
PDBbind
124aa, >1O0M_1|Chains... at 99%
1o0n
RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
124aa, >1RNM_1|Chain... at 99%
1rpf
RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
1w4o
RCSB PDB
PDBbind
124aa, >1W4O_1|Chains... at 99%
1w4p
RCSB PDB
PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
2w5i
RCSB PDB
PDBbind
124aa, >2W5I_1|Chains... at 99%
2xog
RCSB PDB
PDBbind
124aa, >2XOG_1|Chains... at 99%
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
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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
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124aa, >4PEQ_1|Chains... at 99%
4rsk
RCSB PDB
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124aa, >4RSK_1|Chain... at 96%
4wyp
RCSB PDB
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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
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124aa, >6PVV_1|Chains... at 99%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2xog
RCSB PDB
PDBbind
SFB
Entry Information
PDB ID
2xoi
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
RIBONUCLEASE PANCREATIC
Ligand Name
SFB
EC.Number
E.C.3.1.27.5
Resolution
1.72(Å)
Affinity (Kd/Ki/IC50)
Ki=0.46mM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) FEBS J. Vol. 278: pp. 541
Ligand Properties
Formula
C
2
0
H
2
6
N
8
O
1
0
S
Molecular Weight
570.533
Exact Mass
570.149
No. of atoms
65
No. of bonds
69
Polar Surface Area
278.41
LOGP Value
-3.87 (
Computed with XLOGP3
)
-2.24 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 5
Canonical SMILES
OC[C@H]1O[C@H](C[C@@H]1CS(=O)(=O)N[C@@H]([C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)n1ccc(=O)[nH]c1=O
InChI String
InChI=1S/C20H26N8O10S/c21-16-12-17(23-6-22-16)28(7-24-12)19-14(32)13(31)15(38-19)18(33)26-39(35,36)5-8-3-11(37-9(8)4-29)27-2-1-10(30)25-20(27)34/h1-2,6-9,11,13-15,18-19,26,29,31-33H,3-5H2,(H2,21,22,23)(H,25,30,34)/t8-,9-,11-,13+,14-,15+,18-,19-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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