Browse entries in the PDBbind-CN Database
HEADER 6FA3_COMPLEX COMPND 6FA3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 172 ALA PHE GLN GLY MET THR GLU TYR LYS LEU VAL VAL VAL SEQRES 2 B 172 GLY ALA GLY GLY VAL GLY LYS SER ALA LEU THR ILE GLN SEQRES 3 B 172 LEU ILE GLN ASN HIS PHE VAL ASP GLU TYR ASP PRO THR SEQRES 4 B 172 ILE GLU ASP SER TYR ARG LYS GLN VAL VAL ILE ASP GLY SEQRES 5 B 172 GLU THR CSO LEU LEU ASP ILE LEU ASP THR ALA GLY HIS SEQRES 6 B 172 GLU GLU TYR SER ALA MET ARG ASP GLN TYR MET ARG THR SEQRES 7 B 172 GLY GLU GLY PHE LEU CYS VAL PHE ALA ILE ASN ASN THR SEQRES 8 B 172 LYS SER PHE GLU ASP ILE HIS HIS TYR ARG GLU GLN ILE SEQRES 9 B 172 LYS ARG VAL LYS ASP SER GLU ASP VAL PRO MET VAL LEU SEQRES 10 B 172 VAL GLY ASN LYS CYS ASP LEU PRO SER ARG THR VAL ASP SEQRES 11 B 172 THR LYS GLN ALA GLN ASP LEU ALA ARG SER TYR GLY ILE SEQRES 12 B 172 PRO PHE ILE GLU THR SER ALA LYS THR ARG GLN GLY VAL SEQRES 13 B 172 ASP ASP ALA PHE TYR THR LEU VAL ARG GLU ILE ARG LYS SEQRES 14 B 172 HIS LYS GLU HET CSO B 51 9 HET MG A 1 1 HET D A 1Z 76 ATOM 1 N ALA B -3 35.776 110.774 47.938 1.00 53.59 N ATOM 2 CA ALA B -3 34.860 110.797 46.720 1.00 57.72 C ATOM 3 C ALA B -3 35.466 110.264 45.404 1.00 49.75 C ATOM 4 O ALA B -3 34.798 109.475 44.747 1.00 61.01 O ATOM 5 CB ALA B -3 34.202 112.178 46.503 1.00 59.52 C ATOM 6 HN3 ALA B -3 36.616 111.358 47.750 1.00 0.00 H ATOM 7 HN2 ALA B -3 36.069 109.795 48.131 1.00 0.00 H ATOM 8 HN1 ALA B -3 35.266 111.153 48.761 1.00 0.00 H ATOM 9 N PHE B -2 36.647 110.712 44.992 1.00 47.21 N ATOM 10 CA PHE B -2 37.250 110.183 43.743 1.00 40.51 C ATOM 11 C PHE B -2 37.763 108.767 44.016 1.00 45.55 C ATOM 12 O PHE B -2 38.574 108.557 44.916 1.00 46.13 O ATOM 13 CB PHE B -2 38.397 111.052 43.304 1.00 46.91 C ATOM 14 CG PHE B -2 39.193 110.497 42.159 1.00 45.57 C ATOM 15 CD1 PHE B -2 38.777 110.713 40.838 1.00 45.17 C ATOM 16 CD2 PHE B -2 40.394 109.819 42.394 1.00 39.24 C ATOM 17 CE1 PHE B -2 39.525 110.242 39.771 1.00 44.52 C ATOM 18 CE2 PHE B -2 41.152 109.339 41.323 1.00 49.21 C ATOM 19 CZ PHE B -2 40.707 109.558 39.997 1.00 43.60 C ATOM 20 H PHE B -2 37.150 111.435 45.546 1.00 0.00 H ATOM 21 N GLN B -1 37.281 107.812 43.229 1.00 40.99 N ATOM 22 CA GLN B -1 37.599 106.414 43.381 1.00 44.85 C ATOM 23 C GLN B -1 38.318 105.870 42.153 1.00 42.50 C ATOM 24 O GLN B -1 38.583 104.686 42.046 1.00 38.81 O ATOM 25 CB GLN B -1 36.298 105.622 43.674 1.00 51.65 C ATOM 26 CG GLN B -1 35.667 106.048 45.013 1.00 59.42 C ATOM 27 CD GLN B -1 34.656 105.060 45.569 1.00 59.83 C ATOM 28 OE1 GLN B -1 33.884 104.469 44.820 1.00 62.36 O ATOM 29 NE2 GLN B -1 34.648 104.890 46.897 1.00 61.32 N ATOM 30 HE22 GLN B -1 35.322 105.413 47.492 1.00 0.00 H ATOM 31 HE21 GLN B -1 33.968 104.235 47.333 1.00 0.00 H ATOM 32 H GLN B -1 36.638 108.088 42.460 1.00 0.00 H ATOM 33 N GLY B 0 38.674 106.734 41.220 1.00 36.47 N ATOM 34 CA GLY B 0 39.305 106.295 39.997 1.00 40.42 C ATOM 35 C GLY B 0 38.711 107.094 38.847 1.00 38.03 C ATOM 36 O GLY B 0 37.703 107.749 38.987 1.00 34.94 O ATOM 37 H GLY B 0 38.497 107.748 41.368 1.00 0.00 H ATOM 38 N MET B 1 39.382 107.056 37.730 1.00 33.47 N ATOM 39 CA MET B 1 39.079 107.881 36.564 1.00 38.62 C ATOM 40 C MET B 1 37.624 107.620 36.103 1.00 32.17 C ATOM 41 O MET B 1 37.039 106.514 36.289 1.00 32.41 O ATOM 42 CB MET B 1 40.042 107.449 35.435 1.00 41.08 C ATOM 43 CG MET B 1 39.844 105.959 35.014 1.00 54.95 C ATOM 44 SD MET B 1 40.783 104.404 35.421 1.00 61.52 S ATOM 45 CE MET B 1 42.025 104.801 34.242 1.00 60.96 C ATOM 46 H MET B 1 40.184 106.397 37.665 1.00 0.00 H ATOM 47 N THR B 2 37.069 108.573 35.424 1.00 30.37 N ATOM 48 CA THR B 2 35.705 108.442 34.877 1.00 33.30 C ATOM 49 C THR B 2 35.723 107.473 33.683 1.00 30.51 C ATOM 50 O THR B 2 36.614 107.554 32.842 1.00 30.78 O ATOM 51 CB THR B 2 35.245 109.813 34.378 1.00 36.49 C ATOM 52 OG1 THR B 2 35.424 110.771 35.436 1.00 44.04 O ATOM 53 CG2 THR B 2 33.776 109.771 33.914 1.00 38.69 C ATOM 54 HG1 THR B 2 35.129 111.663 35.125 1.00 0.00 H ATOM 55 H THR B 2 37.598 109.453 35.260 1.00 0.00 H ATOM 56 N GLU B 3 34.743 106.610 33.607 1.00 29.18 N ATOM 57 CA GLU B 3 34.649 105.619 32.559 1.00 36.17 C ATOM 58 C GLU B 3 33.506 106.026 31.600 1.00 35.50 C ATOM 59 O GLU B 3 32.500 106.587 32.043 1.00 28.52 O ATOM 60 CB GLU B 3 34.364 104.302 33.193 1.00 45.22 C ATOM 61 CG GLU B 3 34.492 103.094 32.249 1.00 63.92 C ATOM 62 CD GLU B 3 33.747 101.878 32.807 1.00 84.88 C ATOM 63 OE1 GLU B 3 34.115 101.419 33.918 1.00 87.26 O ATOM 64 OE2 GLU B 3 32.768 101.429 32.155 1.00 82.36 O ATOM 65 H GLU B 3 33.999 106.638 34.333 1.00 0.00 H ATOM 66 N TYR B 4 33.723 105.860 30.292 1.00 26.80 N ATOM 67 CA TYR B 4 32.711 106.199 29.303 1.00 23.99 C ATOM 68 C TYR B 4 32.490 104.953 28.482 1.00 25.71 C ATOM 69 O TYR B 4 33.461 104.384 27.952 1.00 27.48 O ATOM 70 CB TYR B 4 33.156 107.341 28.421 1.00 22.69 C ATOM 71 CG TYR B 4 33.273 108.662 29.118 1.00 25.08 C ATOM 72 CD1 TYR B 4 32.200 109.454 29.308 1.00 30.17 C ATOM 73 CD2 TYR B 4 34.489 109.085 29.643 1.00 27.99 C ATOM 74 CE1 TYR B 4 32.311 110.704 29.963 1.00 33.11 C ATOM 75 CE2 TYR B 4 34.615 110.298 30.294 1.00 29.83 C ATOM 76 CZ TYR B 4 33.504 111.093 30.470 1.00 32.22 C ATOM 77 OH TYR B 4 33.609 112.271 31.140 1.00 29.34 O ATOM 78 HH TYR B 4 33.928 112.098 32.061 1.00 0.00 H ATOM 79 H TYR B 4 34.637 105.479 29.973 1.00 0.00 H ATOM 80 N LYS B 5 31.231 104.527 28.350 1.00 23.10 N ATOM 81 CA LYS B 5 30.921 103.331 27.578 1.00 25.31 C ATOM 82 C LYS B 5 30.510 103.763 26.170 1.00 25.12 C ATOM 83 O LYS B 5 29.433 104.370 25.986 1.00 20.32 O ATOM 84 CB LYS B 5 29.813 102.561 28.249 1.00 32.25 C ATOM 85 CG LYS B 5 30.283 101.892 29.577 1.00 39.79 C ATOM 86 CD LYS B 5 29.173 101.216 30.328 1.00 54.16 C ATOM 87 CE LYS B 5 29.813 100.120 31.223 1.00 64.56 C ATOM 88 NZ LYS B 5 28.879 99.105 31.782 1.00 82.55 N ATOM 89 HZ1 LYS B 5 28.166 99.580 32.372 1.00 0.00 H ATOM 90 HZ2 LYS B 5 28.408 98.603 31.003 1.00 0.00 H ATOM 91 HZ3 LYS B 5 29.413 98.426 32.361 1.00 0.00 H ATOM 92 H LYS B 5 30.461 105.057 28.805 1.00 0.00 H ATOM 93 N LEU B 6 31.355 103.443 25.183 1.00 20.86 N ATOM 94 CA LEU B 6 31.160 103.886 23.823 1.00 21.71 C ATOM 95 C LEU B 6 30.848 102.672 22.970 1.00 21.76 C ATOM 96 O LEU B 6 31.414 101.611 23.192 1.00 22.97 O ATOM 97 CB LEU B 6 32.429 104.549 23.276 1.00 23.94 C ATOM 98 CG LEU B 6 33.074 105.620 24.149 1.00 25.99 C ATOM 99 CD1 LEU B 6 34.291 106.238 23.439 1.00 25.16 C ATOM 100 CD2 LEU B 6 32.084 106.659 24.593 1.00 27.45 C ATOM 101 H LEU B 6 32.183 102.853 25.404 1.00 0.00 H ATOM 102 N VAL B 7 29.931 102.828 22.012 1.00 19.48 N ATOM 103 CA VAL B 7 29.557 101.716 21.164 1.00 18.94 C ATOM 104 C VAL B 7 29.726 102.174 19.737 1.00 17.62 C ATOM 105 O VAL B 7 29.256 103.258 19.374 1.00 20.00 O ATOM 106 CB VAL B 7 28.075 101.317 21.416 1.00 21.28 C ATOM 107 CG1 VAL B 7 27.720 100.137 20.550 1.00 20.53 C ATOM 108 CG2 VAL B 7 27.864 100.953 22.877 1.00 25.00 C ATOM 109 H VAL B 7 29.482 103.756 21.874 1.00 0.00 H ATOM 110 N VAL B 8 30.360 101.350 18.907 1.00 18.05 N ATOM 111 CA VAL B 8 30.582 101.745 17.511 1.00 16.21 C ATOM 112 C VAL B 8 29.585 100.862 16.679 1.00 17.00 C ATOM 113 O VAL B 8 29.636 99.620 16.775 1.00 18.48 O ATOM 114 CB VAL B 8 32.007 101.452 17.076 1.00 16.59 C ATOM 115 CG1 VAL B 8 32.257 101.984 15.691 1.00 17.29 C ATOM 116 CG2 VAL B 8 32.996 102.090 18.048 1.00 18.55 C ATOM 117 H VAL B 8 30.698 100.427 19.247 1.00 0.00 H ATOM 118 N VAL B 9 28.705 101.524 15.953 1.00 16.48 N ATOM 119 CA VAL B 9 27.667 100.857 15.150 1.00 18.07 C ATOM 120 C VAL B 9 27.691 101.355 13.733 1.00 16.95 C ATOM 121 O VAL B 9 28.279 102.415 13.398 1.00 17.27 O ATOM 122 CB VAL B 9 26.223 101.076 15.728 1.00 20.10 C ATOM 123 CG1 VAL B 9 26.161 100.609 17.152 1.00 22.17 C ATOM 124 CG2 VAL B 9 25.786 102.523 15.590 1.00 20.24 C ATOM 125 H VAL B 9 28.746 102.563 15.948 1.00 0.00 H ATOM 126 N GLY B 10 27.107 100.532 12.865 1.00 18.75 N ATOM 127 CA GLY B 10 27.032 100.842 11.457 1.00 16.42 C ATOM 128 C GLY B 10 27.088 99.592 10.628 1.00 16.05 C ATOM 129 O GLY B 10 27.386 98.478 11.152 1.00 17.78 O ATOM 130 H GLY B 10 26.694 99.642 13.210 1.00 0.00 H ATOM 131 N ALA B 11 26.839 99.761 9.344 1.00 19.29 N ATOM 132 CA ALA B 11 26.707 98.617 8.404 1.00 20.07 C ATOM 133 C ALA B 11 27.984 97.819 8.305 1.00 21.08 C ATOM 134 O ALA B 11 29.094 98.323 8.585 1.00 20.90 O ATOM 135 CB ALA B 11 26.287 99.105 6.987 1.00 21.65 C ATOM 136 H ALA B 11 26.731 100.728 8.976 1.00 0.00 H ATOM 137 N GLY B 12 27.841 96.539 7.920 1.00 19.89 N ATOM 138 CA GLY B 12 29.008 95.709 7.703 1.00 22.39 C ATOM 139 C GLY B 12 30.020 96.306 6.741 1.00 20.58 C ATOM 140 O GLY B 12 29.694 96.854 5.676 1.00 21.01 O ATOM 141 H GLY B 12 26.890 96.144 7.778 1.00 0.00 H ATOM 142 N GLY B 13 31.295 96.273 7.154 1.00 19.08 N ATOM 143 CA GLY B 13 32.389 96.700 6.334 1.00 19.65 C ATOM 144 C GLY B 13 32.684 98.194 6.175 1.00 18.30 C ATOM 145 O GLY B 13 33.523 98.581 5.368 1.00 20.40 O ATOM 146 H GLY B 13 31.499 95.922 8.112 1.00 0.00 H ATOM 147 N VAL B 14 32.066 99.018 7.011 1.00 17.31 N ATOM 148 CA VAL B 14 32.273 100.466 6.938 1.00 16.76 C ATOM 149 C VAL B 14 33.601 100.903 7.629 1.00 15.96 C ATOM 150 O VAL B 14 34.045 102.008 7.398 1.00 17.01 O ATOM 151 CB VAL B 14 31.148 101.279 7.527 1.00 15.90 C ATOM 152 CG1 VAL B 14 29.865 101.043 6.689 1.00 18.50 C ATOM 153 CG2 VAL B 14 30.928 101.017 9.020 1.00 16.45 C ATOM 154 H VAL B 14 31.424 98.629 7.730 1.00 0.00 H ATOM 155 N GLY B 15 34.189 100.019 8.429 1.00 16.67 N ATOM 156 CA GLY B 15 35.403 100.315 9.124 1.00 18.49 C ATOM 157 C GLY B 15 35.308 100.526 10.623 1.00 17.87 C ATOM 158 O GLY B 15 36.217 101.106 11.200 1.00 19.72 O ATOM 159 H GLY B 15 33.753 99.083 8.553 1.00 0.00 H ATOM 160 N LYS B 16 34.300 99.976 11.261 1.00 15.66 N ATOM 161 CA LYS B 16 34.145 100.036 12.700 1.00 15.83 C ATOM 162 C LYS B 16 35.367 99.475 13.451 1.00 16.89 C ATOM 163 O LYS B 16 35.918 100.129 14.337 1.00 16.85 O ATOM 164 CB LYS B 16 32.848 99.294 13.157 1.00 14.86 C ATOM 165 CG LYS B 16 31.600 99.922 12.613 1.00 16.96 C ATOM 166 CD LYS B 16 30.312 99.267 13.047 1.00 18.19 C ATOM 167 CE LYS B 16 30.217 97.783 12.734 1.00 18.80 C ATOM 168 NZ LYS B 16 30.233 97.517 11.286 1.00 18.98 N ATOM 169 HZ1 LYS B 16 29.425 97.994 10.838 1.00 0.00 H ATOM 170 HZ2 LYS B 16 31.119 97.877 10.878 1.00 0.00 H ATOM 171 HZ3 LYS B 16 30.166 96.492 11.122 1.00 0.00 H ATOM 172 H LYS B 16 33.578 99.473 10.706 1.00 0.00 H ATOM 173 N SER B 17 35.769 98.275 13.094 1.00 16.51 N ATOM 174 CA SER B 17 36.913 97.614 13.707 1.00 17.54 C ATOM 175 C SER B 17 38.206 98.340 13.378 1.00 15.05 C ATOM 176 O SER B 17 39.013 98.567 14.266 1.00 16.95 O ATOM 177 CB SER B 17 37.007 96.136 13.322 1.00 17.98 C ATOM 178 OG SER B 17 35.873 95.473 13.816 1.00 20.12 O ATOM 179 HG SER B 17 35.842 95.564 14.801 1.00 0.00 H ATOM 180 H SER B 17 35.249 97.778 12.343 1.00 0.00 H ATOM 181 N ALA B 18 38.381 98.719 12.104 1.00 15.27 N ATOM 182 CA ALA B 18 39.589 99.414 11.724 1.00 15.43 C ATOM 183 C ALA B 18 39.764 100.751 12.496 1.00 17.65 C ATOM 184 O ALA B 18 40.872 101.104 12.922 1.00 15.89 O ATOM 185 CB ALA B 18 39.626 99.654 10.251 1.00 16.64 C ATOM 186 H ALA B 18 37.651 98.514 11.393 1.00 0.00 H ATOM 187 N LEU B 19 38.664 101.484 12.683 1.00 16.79 N ATOM 188 CA LEU B 19 38.707 102.732 13.486 1.00 16.25 C ATOM 189 C LEU B 19 39.134 102.471 14.903 1.00 16.31 C ATOM 190 O LEU B 19 40.006 103.193 15.464 1.00 17.16 O ATOM 191 CB LEU B 19 37.340 103.407 13.487 1.00 16.43 C ATOM 192 CG LEU B 19 37.036 104.123 12.196 1.00 19.31 C ATOM 193 CD1 LEU B 19 35.572 104.508 12.188 1.00 21.34 C ATOM 194 CD2 LEU B 19 37.905 105.383 12.001 1.00 21.94 C ATOM 195 H LEU B 19 37.765 101.177 12.260 1.00 0.00 H ATOM 196 N THR B 20 38.554 101.455 15.505 1.00 15.31 N ATOM 197 CA THR B 20 38.857 101.144 16.879 1.00 17.54 C ATOM 198 C THR B 20 40.294 100.657 17.078 1.00 18.17 C ATOM 199 O THR B 20 40.980 101.048 18.022 1.00 14.70 O ATOM 200 CB THR B 20 37.821 100.133 17.416 1.00 20.46 C ATOM 201 OG1 THR B 20 36.500 100.706 17.224 1.00 23.43 O ATOM 202 CG2 THR B 20 38.034 99.839 18.844 1.00 21.16 C ATOM 203 HG1 THR B 20 36.351 100.872 16.260 1.00 0.00 H ATOM 204 H THR B 20 37.870 100.870 14.984 1.00 0.00 H ATOM 205 N ILE B 21 40.762 99.792 16.196 1.00 16.56 N ATOM 206 CA ILE B 21 42.111 99.270 16.278 1.00 17.67 C ATOM 207 C ILE B 21 43.146 100.380 16.008 1.00 16.83 C ATOM 208 O ILE B 21 44.225 100.407 16.639 1.00 18.13 O ATOM 209 CB ILE B 21 42.279 98.058 15.377 1.00 18.56 C ATOM 210 CG1 ILE B 21 41.421 96.903 15.982 1.00 20.41 C ATOM 211 CG2 ILE B 21 43.758 97.635 15.272 1.00 20.40 C ATOM 212 CD1 ILE B 21 41.565 95.587 15.240 1.00 23.25 C ATOM 213 H ILE B 21 40.145 99.477 15.421 1.00 0.00 H ATOM 214 N GLN B 22 42.833 101.312 15.119 1.00 16.46 N ATOM 215 CA GLN B 22 43.673 102.471 14.921 1.00 17.42 C ATOM 216 C GLN B 22 43.786 103.277 16.208 1.00 19.59 C ATOM 217 O GLN B 22 44.909 103.645 16.633 1.00 20.08 O ATOM 218 CB GLN B 22 43.172 103.272 13.725 1.00 18.41 C ATOM 219 CG GLN B 22 44.004 104.375 13.205 1.00 25.86 C ATOM 220 CD GLN B 22 45.436 103.961 12.814 1.00 21.89 C ATOM 221 OE1 GLN B 22 46.277 104.123 13.624 1.00 24.51 O ATOM 222 NE2 GLN B 22 45.676 103.623 11.590 1.00 19.15 N ATOM 223 HE22 GLN B 22 44.889 103.495 10.922 1.00 0.00 H ATOM 224 HE21 GLN B 22 46.656 103.479 11.273 1.00 0.00 H ATOM 225 H GLN B 22 41.967 101.207 14.553 1.00 0.00 H ATOM 226 N LEU B 23 42.658 103.500 16.905 1.00 17.92 N ATOM 227 CA LEU B 23 42.713 104.198 18.157 1.00 20.17 C ATOM 228 C LEU B 23 43.532 103.478 19.208 1.00 22.77 C ATOM 229 O LEU B 23 44.293 104.085 19.919 1.00 25.98 O ATOM 230 CB LEU B 23 41.290 104.415 18.680 1.00 20.94 C ATOM 231 CG LEU B 23 41.156 105.195 19.999 1.00 24.33 C ATOM 232 CD1 LEU B 23 41.255 106.663 19.759 1.00 26.79 C ATOM 233 CD2 LEU B 23 39.826 104.829 20.681 1.00 26.31 C ATOM 234 H LEU B 23 41.745 103.166 16.536 1.00 0.00 H ATOM 235 N ILE B 24 43.323 102.203 19.381 1.00 19.85 N ATOM 236 CA ILE B 24 43.919 101.401 20.471 1.00 21.04 C ATOM 237 C ILE B 24 45.401 101.043 20.173 1.00 27.53 C ATOM 238 O ILE B 24 46.254 101.149 21.031 1.00 25.92 O ATOM 239 CB ILE B 24 43.130 100.129 20.733 1.00 24.72 C ATOM 240 CG1 ILE B 24 41.653 100.425 21.102 1.00 30.16 C ATOM 241 CG2 ILE B 24 43.737 99.273 21.818 1.00 28.07 C ATOM 242 CD1 ILE B 24 41.429 101.131 22.365 1.00 28.95 C ATOM 243 H ILE B 24 42.696 101.718 18.708 1.00 0.00 H ATOM 244 N GLN B 25 45.676 100.581 18.962 1.00 19.37 N ATOM 245 CA GLN B 25 46.970 100.008 18.589 1.00 20.88 C ATOM 246 C GLN B 25 47.810 100.817 17.626 1.00 19.64 C ATOM 247 O GLN B 25 48.947 100.417 17.325 1.00 19.41 O ATOM 248 CB GLN B 25 46.743 98.626 17.997 1.00 23.20 C ATOM 249 CG GLN B 25 46.285 97.641 19.026 1.00 31.20 C ATOM 250 CD GLN B 25 46.505 96.221 18.630 1.00 46.37 C ATOM 251 OE1 GLN B 25 45.741 95.662 17.840 1.00 52.55 O ATOM 252 NE2 GLN B 25 47.559 95.606 19.192 1.00 42.57 N ATOM 253 HE22 GLN B 25 48.172 96.125 19.853 1.00 0.00 H ATOM 254 HE21 GLN B 25 47.762 94.611 18.966 1.00 0.00 H ATOM 255 H GLN B 25 44.932 100.628 18.237 1.00 0.00 H ATOM 256 N ASN B 26 47.277 101.937 17.107 1.00 18.32 N ATOM 257 CA ASN B 26 47.958 102.716 16.103 1.00 18.63 C ATOM 258 C ASN B 26 48.307 101.880 14.891 1.00 21.52 C ATOM 259 O ASN B 26 49.391 102.036 14.294 1.00 19.89 O ATOM 260 CB ASN B 26 49.261 103.359 16.656 1.00 26.45 C ATOM 261 CG ASN B 26 49.283 104.857 16.417 1.00 37.57 C ATOM 262 OD1 ASN B 26 49.429 105.407 15.268 1.00 48.99 O ATOM 263 ND2 ASN B 26 48.930 105.521 17.452 1.00 34.19 N ATOM 264 HD22 ASN B 26 48.822 105.039 18.367 1.00 0.00 H ATOM 265 HD21 ASN B 26 48.751 106.543 17.378 1.00 0.00 H ATOM 266 H ASN B 26 46.343 102.251 17.441 1.00 0.00 H ATOM 267 N HIS B 27 47.408 100.977 14.544 1.00 18.19 N ATOM 268 CA HIS B 27 47.619 100.009 13.510 1.00 16.51 C ATOM 269 C HIS B 27 46.397 100.023 12.559 1.00 16.34 C ATOM 270 O HIS B 27 45.275 100.027 13.025 1.00 15.39 O ATOM 271 CB HIS B 27 47.737 98.628 14.135 1.00 17.34 C ATOM 272 CG HIS B 27 47.933 97.530 13.149 1.00 21.01 C ATOM 273 ND1 HIS B 27 49.015 97.487 12.286 1.00 23.58 N ATOM 274 CD2 HIS B 27 47.191 96.427 12.886 1.00 24.87 C ATOM 275 CE1 HIS B 27 48.910 96.417 11.495 1.00 24.45 C ATOM 276 NE2 HIS B 27 47.818 95.756 11.847 1.00 25.86 N ATOM 277 H HIS B 27 46.499 100.968 15.048 1.00 0.00 H ATOM 278 N PHE B 28 46.678 100.037 11.265 1.00 16.02 N ATOM 279 CA PHE B 28 45.676 99.894 10.252 1.00 17.56 C ATOM 280 C PHE B 28 45.512 98.427 9.873 1.00 19.62 C ATOM 281 O PHE B 28 46.461 97.806 9.428 1.00 18.87 O ATOM 282 CB PHE B 28 46.006 100.688 8.995 1.00 17.59 C ATOM 283 CG PHE B 28 45.000 100.465 7.889 1.00 19.61 C ATOM 284 CD1 PHE B 28 43.643 100.736 8.110 1.00 20.12 C ATOM 285 CD2 PHE B 28 45.373 99.937 6.656 1.00 20.53 C ATOM 286 CE1 PHE B 28 42.690 100.564 7.097 1.00 21.98 C ATOM 287 CE2 PHE B 28 44.417 99.756 5.672 1.00 18.48 C ATOM 288 CZ PHE B 28 43.093 100.051 5.870 1.00 21.27 C ATOM 289 H PHE B 28 47.669 100.157 10.972 1.00 0.00 H ATOM 290 N VAL B 29 44.291 97.938 10.010 1.00 17.22 N ATOM 291 CA VAL B 29 43.957 96.552 9.661 1.00 21.02 C ATOM 292 C VAL B 29 43.452 96.567 8.213 1.00 21.48 C ATOM 293 O VAL B 29 42.354 97.105 7.927 1.00 20.48 O ATOM 294 CB VAL B 29 42.891 95.991 10.606 1.00 25.12 C ATOM 295 CG1 VAL B 29 42.473 94.600 10.170 1.00 32.54 C ATOM 296 CG2 VAL B 29 43.460 95.846 12.004 1.00 27.53 C ATOM 297 H VAL B 29 43.541 98.557 10.378 1.00 0.00 H ATOM 298 N ASP B 30 44.231 95.975 7.314 1.00 20.76 N ATOM 299 CA ASP B 30 43.862 95.878 5.895 1.00 25.39 C ATOM 300 C ASP B 30 42.862 94.721 5.605 1.00 21.36 C ATOM 301 O ASP B 30 42.066 94.796 4.659 1.00 25.18 O ATOM 302 CB ASP B 30 45.098 95.706 5.003 1.00 31.17 C ATOM 303 CG ASP B 30 44.736 95.748 3.505 1.00 40.48 C ATOM 304 OD1 ASP B 30 44.426 96.843 2.943 1.00 49.29 O ATOM 305 OD2 ASP B 30 44.719 94.624 2.915 1.00 42.36 O ATOM 306 H ASP B 30 45.135 95.565 7.626 1.00 0.00 H ATOM 307 N GLU B 31 42.910 93.686 6.413 1.00 23.44 N ATOM 308 CA GLU B 31 42.013 92.526 6.274 1.00 28.06 C ATOM 309 C GLU B 31 40.598 92.869 6.728 1.00 26.85 C ATOM 310 O GLU B 31 40.395 93.740 7.586 1.00 21.77 O ATOM 311 CB GLU B 31 42.529 91.332 7.087 1.00 35.03 C ATOM 312 CG GLU B 31 42.697 91.598 8.565 1.00 48.92 C ATOM 313 CD GLU B 31 44.111 92.020 9.056 1.00 56.41 C ATOM 314 OE1 GLU B 31 44.886 92.773 8.334 1.00 42.16 O ATOM 315 OE2 GLU B 31 44.357 91.621 10.209 1.00 58.52 O ATOM 316 H GLU B 31 43.610 93.686 7.182 1.00 0.00 H ATOM 317 N TYR B 32 39.610 92.198 6.142 1.00 23.32 N ATOM 318 CA TYR B 32 38.203 92.373 6.537 1.00 22.37 C ATOM 319 C TYR B 32 37.791 91.055 7.220 1.00 26.08 C ATOM 320 O TYR B 32 37.468 90.076 6.550 1.00 24.82 O ATOM 321 CB TYR B 32 37.394 92.709 5.320 1.00 23.05 C ATOM 322 CG TYR B 32 35.906 93.015 5.466 1.00 22.62 C ATOM 323 CD1 TYR B 32 35.177 92.765 6.627 1.00 20.33 C ATOM 324 CD2 TYR B 32 35.200 93.527 4.343 1.00 23.76 C ATOM 325 CE1 TYR B 32 33.773 92.960 6.671 1.00 21.74 C ATOM 326 CE2 TYR B 32 33.822 93.694 4.369 1.00 24.22 C ATOM 327 CZ TYR B 32 33.121 93.422 5.526 1.00 23.27 C ATOM 328 OH TYR B 32 31.751 93.630 5.592 1.00 26.04 O ATOM 329 HH TYR B 32 31.424 93.382 6.493 1.00 0.00 H ATOM 330 H TYR B 32 39.839 91.528 5.380 1.00 0.00 H ATOM 331 N ASP B 33 37.875 91.048 8.561 1.00 25.47 N ATOM 332 CA ASP B 33 37.498 89.932 9.402 1.00 26.36 C ATOM 333 C ASP B 33 36.235 90.359 10.128 1.00 25.02 C ATOM 334 O ASP B 33 36.327 91.170 11.074 1.00 21.09 O ATOM 335 CB ASP B 33 38.581 89.588 10.410 1.00 34.40 C ATOM 336 CG ASP B 33 39.864 89.044 9.750 1.00 43.44 C ATOM 337 OD1 ASP B 33 39.832 88.339 8.694 1.00 48.55 O ATOM 338 OD2 ASP B 33 40.928 89.318 10.342 1.00 52.56 O ATOM 339 H ASP B 33 38.236 91.905 9.027 1.00 0.00 H ATOM 340 N PRO B 34 35.049 89.843 9.691 1.00 24.33 N ATOM 341 CA PRO B 34 33.809 90.323 10.291 1.00 22.70 C ATOM 342 C PRO B 34 33.721 90.080 11.776 1.00 22.31 C ATOM 343 O PRO B 34 34.130 89.012 12.271 1.00 23.46 O ATOM 344 CB PRO B 34 32.691 89.551 9.545 1.00 25.15 C ATOM 345 CG PRO B 34 33.332 89.201 8.244 1.00 24.12 C ATOM 346 CD PRO B 34 34.795 88.880 8.593 1.00 24.51 C ATOM 347 N THR B 35 33.202 91.064 12.495 1.00 21.27 N ATOM 348 CA THR B 35 33.233 91.037 13.940 1.00 23.26 C ATOM 349 C THR B 35 31.958 90.335 14.458 1.00 26.24 C ATOM 350 O THR B 35 30.840 90.498 13.867 1.00 26.11 O ATOM 351 CB THR B 35 33.199 92.514 14.439 1.00 22.29 C ATOM 352 OG1 THR B 35 34.342 93.179 13.887 1.00 18.47 O ATOM 353 CG2 THR B 35 33.163 92.609 15.944 1.00 25.86 C ATOM 354 HG1 THR B 35 34.350 94.123 14.186 1.00 0.00 H ATOM 355 H THR B 35 32.763 91.873 12.010 1.00 0.00 H ATOM 356 N ILE B 36 32.104 89.662 15.598 1.00 26.34 N ATOM 357 CA ILE B 36 30.942 89.225 16.333 1.00 27.85 C ATOM 358 C ILE B 36 30.639 90.251 17.423 1.00 28.12 C ATOM 359 O ILE B 36 29.630 90.927 17.386 1.00 28.81 O ATOM 360 CB ILE B 36 31.137 87.786 16.880 1.00 35.00 C ATOM 361 CG1 ILE B 36 31.226 86.822 15.670 1.00 40.46 C ATOM 362 CG2 ILE B 36 29.968 87.375 17.802 1.00 37.77 C ATOM 363 CD1 ILE B 36 31.839 85.454 16.006 1.00 49.19 C ATOM 364 H ILE B 36 33.056 89.451 15.959 1.00 0.00 H ATOM 365 N GLU B 37 31.576 90.407 18.333 1.00 28.53 N ATOM 366 CA GLU B 37 31.523 91.445 19.370 1.00 30.40 C ATOM 367 C GLU B 37 32.890 91.501 20.030 1.00 32.62 C ATOM 368 O GLU B 37 33.420 90.480 20.427 1.00 33.97 O ATOM 369 CB GLU B 37 30.444 91.137 20.418 1.00 41.51 C ATOM 370 CG GLU B 37 30.237 92.253 21.416 1.00 50.89 C ATOM 371 CD GLU B 37 28.761 92.391 21.921 1.00 62.64 C ATOM 372 OE1 GLU B 37 27.857 92.675 21.052 1.00 68.41 O ATOM 373 OE2 GLU B 37 28.503 92.165 23.156 1.00 53.97 O ATOM 374 H GLU B 37 32.393 89.764 18.317 1.00 0.00 H ATOM 375 N ASP B 38 33.502 92.688 20.101 1.00 27.50 N ATOM 376 CA ASP B 38 34.827 92.811 20.743 1.00 28.02 C ATOM 377 C ASP B 38 34.808 94.063 21.595 1.00 26.81 C ATOM 378 O ASP B 38 34.151 95.024 21.266 1.00 24.61 O ATOM 379 CB ASP B 38 35.924 92.927 19.692 1.00 31.18 C ATOM 380 CG ASP B 38 36.244 91.585 19.027 1.00 40.21 C ATOM 381 OD1 ASP B 38 36.545 90.621 19.759 1.00 47.48 O ATOM 382 OD2 ASP B 38 36.254 91.524 17.798 1.00 33.79 O ATOM 383 H ASP B 38 33.042 93.531 19.701 1.00 0.00 H ATOM 384 N SER B 39 35.527 93.993 22.699 1.00 26.06 N ATOM 385 CA SER B 39 35.599 95.006 23.714 1.00 28.52 C ATOM 386 C SER B 39 37.048 95.475 23.808 1.00 25.76 C ATOM 387 O SER B 39 37.964 94.657 23.818 1.00 25.04 O ATOM 388 CB SER B 39 35.189 94.386 25.058 1.00 33.20 C ATOM 389 OG SER B 39 33.816 94.174 25.068 1.00 44.51 O ATOM 390 HG SER B 39 33.551 93.774 25.934 1.00 0.00 H ATOM 391 H SER B 39 36.089 93.131 22.847 1.00 0.00 H ATOM 392 N TYR B 40 37.228 96.794 23.906 1.00 21.19 N ATOM 393 CA TYR B 40 38.551 97.407 23.999 1.00 22.64 C ATOM 394 C TYR B 40 38.506 98.442 25.093 1.00 25.57 C ATOM 395 O TYR B 40 37.436 98.934 25.461 1.00 24.56 O ATOM 396 CB TYR B 40 38.889 98.123 22.704 1.00 23.37 C ATOM 397 CG TYR B 40 38.996 97.216 21.512 1.00 24.25 C ATOM 398 CD1 TYR B 40 37.869 96.835 20.804 1.00 27.57 C ATOM 399 CD2 TYR B 40 40.223 96.719 21.120 1.00 28.26 C ATOM 400 CE1 TYR B 40 37.973 96.001 19.700 1.00 27.87 C ATOM 401 CE2 TYR B 40 40.333 95.858 20.046 1.00 30.23 C ATOM 402 CZ TYR B 40 39.225 95.498 19.351 1.00 29.92 C ATOM 403 OH TYR B 40 39.359 94.650 18.282 1.00 30.31 O ATOM 404 HH TYR B 40 38.469 94.483 17.881 1.00 0.00 H ATOM 405 H TYR B 40 36.391 97.411 23.917 1.00 0.00 H ATOM 406 N ARG B 41 39.683 98.784 25.580 1.00 24.31 N ATOM 407 CA ARG B 41 39.791 99.819 26.627 1.00 27.79 C ATOM 408 C ARG B 41 40.986 100.672 26.387 1.00 29.42 C ATOM 409 O ARG B 41 42.032 100.195 25.941 1.00 28.44 O ATOM 410 CB ARG B 41 39.911 99.058 27.916 1.00 34.53 C ATOM 411 CG ARG B 41 39.407 99.692 29.118 1.00 49.66 C ATOM 412 CD ARG B 41 39.326 98.656 30.256 1.00 54.06 C ATOM 413 NE ARG B 41 38.010 98.704 30.863 1.00 59.76 N ATOM 414 CZ ARG B 41 37.535 97.783 31.684 1.00 66.55 C ATOM 415 NH1 ARG B 41 38.245 96.696 32.001 1.00 69.17 N ATOM 416 NH2 ARG B 41 36.313 97.956 32.172 1.00 67.87 N ATOM 417 HE ARG B 41 37.400 99.516 30.638 1.00 0.00 H ATOM 418 HH12 ARG B 41 37.848 95.986 32.649 1.00 0.00 H ATOM 419 HH11 ARG B 41 39.195 96.560 31.599 1.00 0.00 H ATOM 420 HH22 ARG B 41 35.908 97.251 32.821 1.00 0.00 H ATOM 421 HH21 ARG B 41 35.761 98.796 31.906 1.00 0.00 H ATOM 422 H ARG B 41 40.543 98.320 25.223 1.00 0.00 H ATOM 423 N LYS B 42 40.856 101.952 26.653 1.00 27.84 N ATOM 424 CA LYS B 42 41.977 102.874 26.493 1.00 27.09 C ATOM 425 C LYS B 42 41.805 104.009 27.500 1.00 27.91 C ATOM 426 O LYS B 42 40.727 104.550 27.608 1.00 24.78 O ATOM 427 CB LYS B 42 42.009 103.451 25.104 1.00 30.99 C ATOM 428 CG LYS B 42 43.302 104.168 24.822 1.00 34.07 C ATOM 429 CD LYS B 42 43.347 104.859 23.482 1.00 35.82 C ATOM 430 CE LYS B 42 44.740 105.421 23.259 1.00 39.17 C ATOM 431 NZ LYS B 42 44.710 106.208 22.017 1.00 44.09 N ATOM 432 HZ1 LYS B 42 44.436 105.593 21.225 1.00 0.00 H ATOM 433 HZ2 LYS B 42 44.019 106.979 22.113 1.00 0.00 H ATOM 434 HZ3 LYS B 42 45.654 106.607 21.838 1.00 0.00 H ATOM 435 H LYS B 42 39.939 102.315 26.983 1.00 0.00 H ATOM 436 N GLN B 43 42.890 104.384 28.168 1.00 25.36 N ATOM 437 CA GLN B 43 42.892 105.590 29.008 1.00 27.04 C ATOM 438 C GLN B 43 43.380 106.741 28.201 1.00 27.95 C ATOM 439 O GLN B 43 44.382 106.638 27.545 1.00 30.98 O ATOM 440 CB GLN B 43 43.784 105.368 30.275 1.00 32.35 C ATOM 441 CG GLN B 43 43.738 106.580 31.203 1.00 35.11 C ATOM 442 CD GLN B 43 44.636 106.499 32.440 1.00 40.89 C ATOM 443 OE1 GLN B 43 44.253 105.905 33.440 1.00 43.52 O ATOM 444 NE2 GLN B 43 45.777 107.180 32.393 1.00 43.91 N ATOM 445 HE22 GLN B 43 46.056 107.667 31.518 1.00 0.00 H ATOM 446 HE21 GLN B 43 46.390 107.225 33.232 1.00 0.00 H ATOM 447 H GLN B 43 43.756 103.813 28.095 1.00 0.00 H ATOM 448 N VAL B 44 42.698 107.865 28.228 1.00 22.67 N ATOM 449 CA VAL B 44 43.068 109.028 27.453 1.00 24.76 C ATOM 450 C VAL B 44 42.809 110.249 28.307 1.00 26.24 C ATOM 451 O VAL B 44 42.072 110.168 29.278 1.00 27.36 O ATOM 452 CB VAL B 44 42.250 109.153 26.118 1.00 33.03 C ATOM 453 CG1 VAL B 44 42.372 107.931 25.248 1.00 37.52 C ATOM 454 CG2 VAL B 44 40.793 109.282 26.381 1.00 34.32 C ATOM 455 H VAL B 44 41.855 107.920 28.834 1.00 0.00 H ATOM 456 N VAL B 45 43.343 111.384 27.890 1.00 28.94 N ATOM 457 CA VAL B 45 43.051 112.663 28.535 1.00 29.12 C ATOM 458 C VAL B 45 42.348 113.508 27.533 1.00 28.47 C ATOM 459 O VAL B 45 42.842 113.750 26.433 1.00 28.03 O ATOM 460 CB VAL B 45 44.363 113.391 29.005 1.00 33.09 C ATOM 461 CG1 VAL B 45 44.003 114.692 29.712 1.00 33.99 C ATOM 462 CG2 VAL B 45 45.212 112.465 29.856 1.00 35.47 C ATOM 463 H VAL B 45 43.992 111.367 27.077 1.00 0.00 H ATOM 464 N ILE B 46 41.145 113.927 27.872 1.00 24.31 N ATOM 465 CA ILE B 46 40.327 114.772 27.010 1.00 26.07 C ATOM 466 C ILE B 46 39.921 115.992 27.790 1.00 25.71 C ATOM 467 O ILE B 46 39.280 115.884 28.857 1.00 25.92 O ATOM 468 CB ILE B 46 39.035 113.997 26.550 1.00 25.32 C ATOM 469 CG1 ILE B 46 39.427 112.741 25.774 1.00 25.84 C ATOM 470 CG2 ILE B 46 38.120 114.910 25.729 1.00 27.03 C ATOM 471 CD1 ILE B 46 38.303 111.772 25.561 1.00 25.80 C ATOM 472 H ILE B 46 40.762 113.642 28.796 1.00 0.00 H ATOM 473 N ASP B 47 40.278 117.166 27.271 1.00 27.24 N ATOM 474 CA ASP B 47 39.997 118.458 27.932 1.00 31.61 C ATOM 475 C ASP B 47 40.455 118.466 29.413 1.00 31.40 C ATOM 476 O ASP B 47 39.711 118.923 30.323 1.00 29.50 O ATOM 477 CB ASP B 47 38.523 118.829 27.829 1.00 34.18 C ATOM 478 CG ASP B 47 38.064 119.001 26.332 1.00 36.33 C ATOM 479 OD1 ASP B 47 38.936 119.140 25.417 1.00 38.25 O ATOM 480 OD2 ASP B 47 36.864 119.055 26.112 1.00 40.85 O ATOM 481 H ASP B 47 40.777 117.174 26.359 1.00 0.00 H ATOM 482 N GLY B 48 41.627 117.893 29.634 1.00 31.43 N ATOM 483 CA GLY B 48 42.243 117.927 30.957 1.00 31.55 C ATOM 484 C GLY B 48 41.708 116.873 31.903 1.00 36.61 C ATOM 485 O GLY B 48 42.177 116.794 33.054 1.00 37.10 O ATOM 486 H GLY B 48 42.117 117.411 28.853 1.00 0.00 H ATOM 487 N GLU B 49 40.743 116.036 31.474 1.00 26.90 N ATOM 488 CA GLU B 49 40.206 115.015 32.328 1.00 29.17 C ATOM 489 C GLU B 49 40.634 113.658 31.873 1.00 31.32 C ATOM 490 O GLU B 49 40.450 113.276 30.710 1.00 32.60 O ATOM 491 CB GLU B 49 38.668 115.108 32.399 1.00 36.74 C ATOM 492 CG GLU B 49 38.093 116.392 32.988 1.00 53.91 C ATOM 493 CD GLU B 49 38.348 116.646 34.498 1.00 61.14 C ATOM 494 OE1 GLU B 49 38.176 115.789 35.428 1.00 58.57 O ATOM 495 OE2 GLU B 49 38.707 117.800 34.752 1.00 62.42 O ATOM 496 H GLU B 49 40.380 116.132 30.504 1.00 0.00 H ATOM 497 N THR B 50 41.146 112.843 32.789 1.00 26.74 N ATOM 498 CA THR B 50 41.573 111.514 32.501 1.00 34.39 C ATOM 499 C THR B 50 40.359 110.641 32.428 1.00 38.52 C ATOM 500 O THR B 50 39.503 110.686 33.290 1.00 30.37 O ATOM 501 CB THR B 50 42.539 111.009 33.571 1.00 40.22 C ATOM 502 OG1 THR B 50 43.708 111.811 33.441 1.00 42.03 O ATOM 503 CG2 THR B 50 42.941 109.538 33.345 1.00 39.83 C ATOM 504 HG1 THR B 50 44.377 111.529 34.114 1.00 0.00 H ATOM 505 H THR B 50 41.240 113.192 33.764 1.00 0.00 H HETATM 506 N CSO B 51 40.249 109.839 31.359 1.00 28.40 N HETATM 507 CA CSO B 51 39.201 108.888 31.340 1.00 29.76 C HETATM 508 C CSO B 51 39.506 107.599 30.709 1.00 24.46 C HETATM 509 O CSO B 51 40.498 107.452 30.027 1.00 24.63 O HETATM 510 CB CSO B 51 37.961 109.447 30.807 1.00 35.77 C HETATM 511 SG CSO B 51 38.234 110.120 29.268 1.00 36.69 S HETATM 512 OD CSO B 51 37.823 111.652 29.759 1.00 34.30 O HETATM 513 HD CSO B 51 38.431 111.938 30.486 1.00 0.00 H HETATM 514 H CSO B 51 40.916 109.914 30.565 1.00 0.00 H ATOM 515 N LEU B 52 38.691 106.632 31.092 1.00 23.28 N ATOM 516 CA LEU B 52 38.820 105.300 30.597 1.00 24.58 C ATOM 517 C LEU B 52 37.702 105.130 29.576 1.00 26.97 C ATOM 518 O LEU B 52 36.521 105.212 29.928 1.00 28.25 O ATOM 519 CB LEU B 52 38.651 104.334 31.745 1.00 31.01 C ATOM 520 CG LEU B 52 38.948 102.875 31.419 1.00 35.70 C ATOM 521 CD1 LEU B 52 40.438 102.728 30.984 1.00 36.56 C ATOM 522 CD2 LEU B 52 38.621 102.008 32.634 1.00 39.52 C ATOM 523 H LEU B 52 37.935 106.848 31.773 1.00 0.00 H ATOM 524 N LEU B 53 38.082 104.850 28.336 1.00 25.98 N ATOM 525 CA LEU B 53 37.098 104.534 27.291 1.00 27.77 C ATOM 526 C LEU B 53 36.909 103.026 27.251 1.00 27.80 C ATOM 527 O LEU B 53 37.894 102.304 27.071 1.00 26.72 O ATOM 528 CB LEU B 53 37.617 105.029 25.979 1.00 26.41 C ATOM 529 CG LEU B 53 38.010 106.473 25.874 1.00 28.78 C ATOM 530 CD1 LEU B 53 38.311 106.800 24.457 1.00 28.73 C ATOM 531 CD2 LEU B 53 36.989 107.402 26.460 1.00 30.70 C ATOM 532 H LEU B 53 39.095 104.854 28.099 1.00 0.00 H ATOM 533 N ASP B 54 35.683 102.553 27.477 1.00 24.30 N ATOM 534 CA ASP B 54 35.321 101.150 27.282 1.00 27.30 C ATOM 535 C ASP B 54 34.578 101.128 25.956 1.00 26.02 C ATOM 536 O ASP B 54 33.482 101.712 25.862 1.00 24.18 O ATOM 537 CB ASP B 54 34.368 100.680 28.351 1.00 35.74 C ATOM 538 CG ASP B 54 35.057 100.245 29.635 1.00 55.48 C ATOM 539 OD1 ASP B 54 36.308 100.180 29.703 1.00 69.06 O ATOM 540 OD2 ASP B 54 34.308 99.911 30.593 1.00 70.93 O ATOM 541 H ASP B 54 34.950 103.213 27.807 1.00 0.00 H ATOM 542 N ILE B 55 35.149 100.487 24.948 1.00 21.22 N ATOM 543 CA ILE B 55 34.625 100.628 23.607 1.00 21.31 C ATOM 544 C ILE B 55 34.133 99.251 23.138 1.00 24.25 C ATOM 545 O ILE B 55 34.888 98.270 23.173 1.00 23.91 O ATOM 546 CB ILE B 55 35.693 101.122 22.663 1.00 22.66 C ATOM 547 CG1 ILE B 55 36.171 102.482 23.114 1.00 22.85 C ATOM 548 CG2 ILE B 55 35.194 101.139 21.215 1.00 23.15 C ATOM 549 CD1 ILE B 55 37.480 102.906 22.492 1.00 25.96 C ATOM 550 H ILE B 55 35.976 99.881 25.121 1.00 0.00 H ATOM 551 N LEU B 56 32.875 99.202 22.708 1.00 19.53 N ATOM 552 CA LEU B 56 32.322 97.974 22.172 1.00 20.19 C ATOM 553 C LEU B 56 32.248 98.121 20.667 1.00 20.53 C ATOM 554 O LEU B 56 31.568 99.024 20.129 1.00 19.99 O ATOM 555 CB LEU B 56 30.936 97.752 22.754 1.00 23.64 C ATOM 556 CG LEU B 56 30.334 96.382 22.419 1.00 24.58 C ATOM 557 CD1 LEU B 56 31.015 95.237 23.153 1.00 35.21 C ATOM 558 CD2 LEU B 56 28.843 96.404 22.721 1.00 28.35 C ATOM 559 H LEU B 56 32.281 100.055 22.757 1.00 0.00 H ATOM 560 N ASP B 57 32.938 97.209 19.988 1.00 21.31 N ATOM 561 CA ASP B 57 32.974 97.131 18.553 1.00 21.79 C ATOM 562 C ASP B 57 31.914 96.029 18.171 1.00 22.74 C ATOM 563 O ASP B 57 32.038 94.873 18.576 1.00 24.18 O ATOM 564 CB ASP B 57 34.374 96.700 18.173 1.00 25.51 C ATOM 565 CG ASP B 57 34.588 96.561 16.689 1.00 29.51 C ATOM 566 OD1 ASP B 57 33.852 97.235 15.960 1.00 26.16 O ATOM 567 OD2 ASP B 57 35.485 95.733 16.272 1.00 30.39 O ATOM 568 H ASP B 57 33.485 96.509 20.529 1.00 0.00 H ATOM 569 N THR B 58 30.895 96.421 17.415 1.00 22.94 N ATOM 570 CA THR B 58 29.736 95.582 17.163 1.00 22.11 C ATOM 571 C THR B 58 29.779 94.996 15.764 1.00 24.19 C ATOM 572 O THR B 58 30.522 95.439 14.903 1.00 23.23 O ATOM 573 CB THR B 58 28.404 96.377 17.314 1.00 21.36 C ATOM 574 OG1 THR B 58 28.313 97.407 16.292 1.00 22.09 O ATOM 575 CG2 THR B 58 28.291 97.002 18.672 1.00 25.32 C ATOM 576 HG1 THR B 58 29.075 98.032 16.386 1.00 0.00 H ATOM 577 H THR B 58 30.928 97.368 16.986 1.00 0.00 H ATOM 578 N ALA B 59 28.953 93.960 15.546 1.00 26.68 N ATOM 579 CA ALA B 59 28.745 93.389 14.211 1.00 25.27 C ATOM 580 C ALA B 59 27.885 94.322 13.375 1.00 25.01 C ATOM 581 O ALA B 59 26.911 94.879 13.881 1.00 28.00 O ATOM 582 CB ALA B 59 28.054 92.049 14.332 1.00 28.94 C ATOM 583 H ALA B 59 28.442 93.548 16.353 1.00 0.00 H ATOM 584 N GLY B 60 28.185 94.477 12.098 1.00 25.28 N ATOM 585 CA GLY B 60 27.377 95.240 11.178 1.00 30.12 C ATOM 586 C GLY B 60 25.908 94.749 11.151 1.00 42.58 C ATOM 587 O GLY B 60 24.968 95.563 11.473 1.00 40.26 O ATOM 588 H GLY B 60 29.049 94.025 11.737 1.00 0.00 H ATOM 589 N HIS B 61 25.694 93.441 10.920 1.00 50.92 N ATOM 590 CA HIS B 61 24.382 92.797 11.157 1.00 54.37 C ATOM 591 C HIS B 61 24.349 91.897 12.393 1.00 52.92 C ATOM 592 O HIS B 61 25.049 90.886 12.424 1.00 48.83 O ATOM 593 CB HIS B 61 23.962 91.940 9.949 1.00 65.57 C ATOM 594 CG HIS B 61 22.682 91.192 10.176 1.00 81.76 C ATOM 595 ND1 HIS B 61 21.514 91.817 10.572 1.00 85.33 N ATOM 596 CD2 HIS B 61 22.401 89.868 10.107 1.00 84.51 C ATOM 597 CE1 HIS B 61 20.565 90.910 10.714 1.00 88.28 C ATOM 598 NE2 HIS B 61 21.077 89.720 10.442 1.00 90.86 N ATOM 599 H HIS B 61 26.479 92.861 10.562 1.00 0.00 H ATOM 600 N GLU B 62 23.553 92.268 13.394 1.00 50.38 N ATOM 601 CA GLU B 62 23.474 91.460 14.646 1.00 62.90 C ATOM 602 C GLU B 62 22.120 90.745 14.727 1.00 70.75 C ATOM 603 O GLU B 62 21.085 91.405 14.897 1.00 67.83 O ATOM 604 CB GLU B 62 23.745 92.307 15.925 1.00 62.55 C ATOM 605 CG GLU B 62 25.019 91.966 16.772 1.00 60.15 C ATOM 606 CD GLU B 62 25.946 93.181 17.041 1.00 65.24 C ATOM 607 OE1 GLU B 62 25.637 94.318 16.492 1.00 49.15 O ATOM 608 OE2 GLU B 62 27.029 92.955 17.744 1.00 48.03 O ATOM 609 H GLU B 62 22.980 93.131 13.302 1.00 0.00 H ATOM 610 N GLU B 63 22.153 89.435 14.506 1.00 75.76 N ATOM 611 CA GLU B 63 20.926 88.717 14.376 1.00 81.34 C ATOM 612 C GLU B 63 20.293 88.531 15.713 1.00 82.77 C ATOM 613 O GLU B 63 19.118 88.801 15.796 1.00 76.21 O ATOM 614 CB GLU B 63 21.066 87.375 13.740 1.00 85.63 C ATOM 615 CG GLU B 63 19.683 86.829 13.393 1.00 91.01 C ATOM 616 CD GLU B 63 19.664 85.868 12.222 1.00 98.61 C ATOM 617 OE1 GLU B 63 20.697 85.230 11.914 1.00100.95 O ATOM 618 OE2 GLU B 63 18.587 85.740 11.604 1.00 98.44 O ATOM 619 H GLU B 63 23.063 88.938 14.429 1.00 0.00 H ATOM 620 N TYR B 64 20.997 88.013 16.729 1.00 91.21 N ATOM 621 CA TYR B 64 20.397 87.949 18.071 1.00 89.00 C ATOM 622 C TYR B 64 19.975 89.345 18.531 1.00 86.31 C ATOM 623 O TYR B 64 20.814 90.202 18.827 1.00 86.14 O ATOM 624 CB TYR B 64 21.328 87.282 19.096 1.00 93.34 C ATOM 625 CG TYR B 64 20.738 86.814 20.441 1.00 93.62 C ATOM 626 CD1 TYR B 64 19.374 86.462 20.598 1.00 95.83 C ATOM 627 CD2 TYR B 64 21.582 86.646 21.559 1.00 89.01 C ATOM 628 CE1 TYR B 64 18.880 86.027 21.818 1.00 92.76 C ATOM 629 CE2 TYR B 64 21.093 86.192 22.781 1.00 82.37 C ATOM 630 CZ TYR B 64 19.743 85.888 22.905 1.00 85.76 C ATOM 631 OH TYR B 64 19.233 85.457 24.104 1.00 75.79 O ATOM 632 HH TYR B 64 18.262 85.289 24.007 1.00 0.00 H ATOM 633 H TYR B 64 21.962 87.658 16.570 1.00 0.00 H ATOM 634 N SER B 65 18.670 89.555 18.613 1.00 78.86 N ATOM 635 CA SER B 65 18.090 90.844 18.920 1.00 71.90 C ATOM 636 C SER B 65 18.376 91.237 20.367 1.00 72.28 C ATOM 637 O SER B 65 18.583 92.396 20.627 1.00 63.41 O ATOM 638 CB SER B 65 16.592 90.762 18.622 1.00 72.14 C ATOM 639 OG SER B 65 15.941 92.016 18.631 1.00 62.24 O ATOM 640 HG SER B 65 14.980 91.889 18.432 1.00 0.00 H ATOM 641 H SER B 65 18.030 88.752 18.448 1.00 0.00 H ATOM 642 N ALA B 66 18.360 90.261 21.289 1.00 72.49 N ATOM 643 CA ALA B 66 18.482 90.542 22.711 1.00 71.29 C ATOM 644 C ALA B 66 19.866 91.108 23.084 1.00 64.00 C ATOM 645 O ALA B 66 19.920 92.002 23.900 1.00 60.37 O ATOM 646 CB ALA B 66 18.155 89.282 23.533 1.00 74.07 C ATOM 647 H ALA B 66 18.257 89.274 20.977 1.00 0.00 H ATOM 648 N MET B 67 20.937 90.576 22.492 1.00 56.46 N ATOM 649 CA MET B 67 22.336 91.062 22.669 1.00 54.01 C ATOM 650 C MET B 67 22.501 92.510 22.167 1.00 49.92 C ATOM 651 O MET B 67 23.102 93.337 22.844 1.00 43.34 O ATOM 652 CB MET B 67 23.336 90.135 21.941 1.00 58.86 C ATOM 653 H MET B 67 20.785 89.763 21.861 1.00 0.00 H ATOM 654 N ARG B 68 21.932 92.798 21.000 1.00 43.56 N ATOM 655 CA ARG B 68 21.906 94.172 20.446 1.00 41.36 C ATOM 656 C ARG B 68 21.199 95.165 21.383 1.00 41.36 C ATOM 657 O ARG B 68 21.763 96.246 21.669 1.00 37.31 O ATOM 658 CB ARG B 68 21.241 94.224 19.073 1.00 47.44 C ATOM 659 CG ARG B 68 21.273 95.643 18.468 1.00 54.65 C ATOM 660 CD ARG B 68 20.712 95.722 17.071 1.00 66.73 C ATOM 661 NE ARG B 68 19.255 95.950 17.040 1.00 76.31 N ATOM 662 CZ ARG B 68 18.309 95.031 16.808 1.00 83.16 C ATOM 663 NH1 ARG B 68 18.605 93.737 16.677 1.00 92.15 N ATOM 664 NH2 ARG B 68 17.037 95.407 16.769 1.00 86.28 N ATOM 665 HE ARG B 68 18.930 96.922 17.216 1.00 0.00 H ATOM 666 HH12 ARG B 68 17.849 93.046 16.497 1.00 0.00 H ATOM 667 HH11 ARG B 68 19.592 93.419 16.755 1.00 0.00 H ATOM 668 HH22 ARG B 68 16.292 94.704 16.590 1.00 0.00 H ATOM 669 HH21 ARG B 68 16.785 96.405 16.918 1.00 0.00 H ATOM 670 H ARG B 68 21.489 92.030 20.456 1.00 0.00 H ATOM 671 N ASP B 69 19.996 94.825 21.855 1.00 38.13 N ATOM 672 CA ASP B 69 19.319 95.680 22.811 1.00 38.24 C ATOM 673 C ASP B 69 20.167 95.916 24.084 1.00 39.56 C ATOM 674 O ASP B 69 20.165 97.045 24.638 1.00 34.59 O ATOM 675 CB ASP B 69 17.925 95.115 23.220 1.00 43.28 C ATOM 676 CG ASP B 69 16.861 95.235 22.112 1.00 48.79 C ATOM 677 OD1 ASP B 69 17.210 95.601 20.954 1.00 50.72 O ATOM 678 OD2 ASP B 69 15.717 94.839 22.419 1.00 61.21 O ATOM 679 H ASP B 69 19.544 93.945 21.536 1.00 0.00 H ATOM 680 N GLN B 70 20.886 94.892 24.533 1.00 34.84 N ATOM 681 CA GLN B 70 21.675 95.027 25.741 1.00 39.96 C ATOM 682 C GLN B 70 22.758 96.097 25.597 1.00 35.20 C ATOM 683 O GLN B 70 22.844 97.009 26.433 1.00 35.75 O ATOM 684 CB GLN B 70 22.323 93.677 26.178 1.00 46.90 C ATOM 685 CG GLN B 70 22.936 93.727 27.587 1.00 51.67 C ATOM 686 CD GLN B 70 21.985 94.352 28.644 1.00 60.42 C ATOM 687 OE1 GLN B 70 20.816 93.946 28.764 1.00 69.06 O ATOM 688 NE2 GLN B 70 22.469 95.338 29.391 1.00 61.74 N ATOM 689 HE22 GLN B 70 23.452 95.652 29.264 1.00 0.00 H ATOM 690 HE21 GLN B 70 21.865 95.796 30.103 1.00 0.00 H ATOM 691 H GLN B 70 20.882 93.990 24.015 1.00 0.00 H ATOM 692 N TYR B 71 23.555 96.041 24.523 1.00 34.90 N ATOM 693 CA TYR B 71 24.619 97.063 24.354 1.00 31.72 C ATOM 694 C TYR B 71 24.078 98.439 24.057 1.00 31.17 C ATOM 695 O TYR B 71 24.661 99.431 24.469 1.00 29.46 O ATOM 696 CB TYR B 71 25.694 96.604 23.385 1.00 32.41 C ATOM 697 CG TYR B 71 25.363 96.540 21.902 1.00 31.29 C ATOM 698 CD1 TYR B 71 24.957 97.674 21.192 1.00 29.91 C ATOM 699 CD2 TYR B 71 25.524 95.349 21.207 1.00 30.35 C ATOM 700 CE1 TYR B 71 24.716 97.625 19.819 1.00 32.58 C ATOM 701 CE2 TYR B 71 25.301 95.267 19.849 1.00 32.00 C ATOM 702 CZ TYR B 71 24.902 96.389 19.145 1.00 31.13 C ATOM 703 OH TYR B 71 24.681 96.333 17.774 1.00 32.19 O ATOM 704 HH TYR B 71 24.404 97.226 17.449 1.00 0.00 H ATOM 705 H TYR B 71 23.430 95.290 23.815 1.00 0.00 H ATOM 706 N MET B 72 22.916 98.534 23.433 1.00 30.44 N ATOM 707 CA MET B 72 22.295 99.832 23.284 1.00 30.52 C ATOM 708 C MET B 72 21.838 100.394 24.615 1.00 29.39 C ATOM 709 O MET B 72 21.893 101.604 24.831 1.00 32.36 O ATOM 710 CB MET B 72 21.156 99.800 22.273 1.00 31.90 C ATOM 711 CG MET B 72 21.704 99.483 20.864 1.00 32.62 C ATOM 712 SD MET B 72 20.388 99.699 19.645 1.00 33.74 S ATOM 713 CE MET B 72 21.429 99.591 18.164 1.00 38.03 C ATOM 714 H MET B 72 22.453 97.684 23.053 1.00 0.00 H ATOM 715 N ARG B 73 21.382 99.535 25.519 1.00 31.04 N ATOM 716 CA ARG B 73 20.983 100.024 26.853 1.00 34.87 C ATOM 717 C ARG B 73 22.200 100.449 27.665 1.00 33.83 C ATOM 718 O ARG B 73 22.146 101.430 28.372 1.00 30.67 O ATOM 719 CB ARG B 73 20.184 98.925 27.599 1.00 38.04 C ATOM 720 CG ARG B 73 19.338 99.430 28.743 1.00 59.15 C ATOM 721 CD ARG B 73 18.350 98.363 29.243 1.00 66.31 C ATOM 722 NE ARG B 73 17.485 97.830 28.172 1.00 65.57 N ATOM 723 CZ ARG B 73 17.603 96.652 27.552 1.00 60.51 C ATOM 724 NH1 ARG B 73 18.546 95.777 27.878 1.00 61.06 N ATOM 725 NH2 ARG B 73 16.708 96.334 26.619 1.00 66.94 N ATOM 726 HE ARG B 73 16.698 98.437 27.867 1.00 0.00 H ATOM 727 HH12 ARG B 73 18.609 94.869 27.375 1.00 0.00 H ATOM 728 HH11 ARG B 73 19.222 95.999 28.637 1.00 0.00 H ATOM 729 HH22 ARG B 73 16.777 95.423 26.121 1.00 0.00 H ATOM 730 HH21 ARG B 73 15.940 96.996 26.388 1.00 0.00 H ATOM 731 H ARG B 73 21.306 98.524 25.288 1.00 0.00 H ATOM 732 N THR B 74 23.292 99.711 27.544 1.00 30.10 N ATOM 733 CA THR B 74 24.504 99.970 28.381 1.00 33.99 C ATOM 734 C THR B 74 25.331 101.137 27.853 1.00 29.99 C ATOM 735 O THR B 74 25.882 101.905 28.626 1.00 27.70 O ATOM 736 CB THR B 74 25.367 98.702 28.410 1.00 38.70 C ATOM 737 OG1 THR B 74 24.603 97.658 29.008 1.00 45.00 O ATOM 738 CG2 THR B 74 26.592 98.864 29.253 1.00 46.12 C ATOM 739 HG1 THR B 74 23.785 97.502 28.473 1.00 0.00 H ATOM 740 H THR B 74 23.308 98.935 26.852 1.00 0.00 H ATOM 741 N GLY B 75 25.389 101.300 26.533 1.00 30.10 N ATOM 742 CA GLY B 75 26.145 102.382 25.926 1.00 25.91 C ATOM 743 C GLY B 75 25.697 103.717 26.320 1.00 30.59 C ATOM 744 O GLY B 75 24.494 104.011 26.360 1.00 30.57 O ATOM 745 H GLY B 75 24.879 100.634 25.919 1.00 0.00 H ATOM 746 N GLU B 76 26.672 104.611 26.597 1.00 25.23 N ATOM 747 CA GLU B 76 26.371 105.990 26.900 1.00 26.65 C ATOM 748 C GLU B 76 26.464 106.848 25.681 1.00 27.27 C ATOM 749 O GLU B 76 25.868 107.887 25.632 1.00 24.62 O ATOM 750 CB GLU B 76 27.364 106.511 27.939 1.00 30.34 C ATOM 751 CG GLU B 76 27.230 105.857 29.309 1.00 37.19 C ATOM 752 CD GLU B 76 28.326 106.330 30.255 1.00 44.70 C ATOM 753 OE1 GLU B 76 28.015 107.335 31.008 1.00 45.15 O ATOM 754 OE2 GLU B 76 29.454 105.737 30.189 1.00 39.45 O ATOM 755 H GLU B 76 27.664 104.298 26.592 1.00 0.00 H ATOM 756 N GLY B 77 27.271 106.443 24.687 1.00 21.78 N ATOM 757 CA GLY B 77 27.380 107.204 23.459 1.00 20.46 C ATOM 758 C GLY B 77 27.686 106.289 22.298 1.00 18.98 C ATOM 759 O GLY B 77 28.233 105.203 22.494 1.00 18.49 O ATOM 760 H GLY B 77 27.826 105.571 24.800 1.00 0.00 H ATOM 761 N PHE B 78 27.307 106.728 21.105 1.00 18.60 N ATOM 762 CA PHE B 78 27.347 105.897 19.914 1.00 18.39 C ATOM 763 C PHE B 78 28.093 106.611 18.789 1.00 18.71 C ATOM 764 O PHE B 78 27.796 107.746 18.469 1.00 20.37 O ATOM 765 CB PHE B 78 25.900 105.536 19.495 1.00 20.01 C ATOM 766 CG PHE B 78 25.189 104.748 20.553 1.00 19.76 C ATOM 767 CD1 PHE B 78 24.626 105.413 21.630 1.00 19.54 C ATOM 768 CD2 PHE B 78 25.201 103.382 20.541 1.00 19.80 C ATOM 769 CE1 PHE B 78 24.060 104.711 22.668 1.00 21.85 C ATOM 770 CE2 PHE B 78 24.630 102.653 21.550 1.00 22.11 C ATOM 771 CZ PHE B 78 24.053 103.329 22.629 1.00 22.20 C ATOM 772 H PHE B 78 26.967 107.707 21.019 1.00 0.00 H ATOM 773 N LEU B 79 29.070 105.928 18.197 1.00 16.66 N ATOM 774 CA LEU B 79 29.635 106.361 16.905 1.00 17.34 C ATOM 775 C LEU B 79 28.824 105.659 15.843 1.00 17.52 C ATOM 776 O LEU B 79 28.807 104.435 15.811 1.00 18.40 O ATOM 777 CB LEU B 79 31.076 105.938 16.766 1.00 20.85 C ATOM 778 CG LEU B 79 32.154 106.685 17.485 1.00 27.69 C ATOM 779 CD1 LEU B 79 33.507 106.271 16.897 1.00 30.11 C ATOM 780 CD2 LEU B 79 32.008 108.182 17.402 1.00 25.06 C ATOM 781 H LEU B 79 29.443 105.072 18.655 1.00 0.00 H ATOM 782 N CYS B 80 28.147 106.414 15.001 1.00 19.82 N ATOM 783 CA CYS B 80 27.348 105.860 13.896 1.00 20.92 C ATOM 784 C CYS B 80 28.199 106.042 12.634 1.00 18.63 C ATOM 785 O CYS B 80 28.353 107.167 12.149 1.00 16.32 O ATOM 786 CB CYS B 80 26.042 106.611 13.770 1.00 23.33 C ATOM 787 SG CYS B 80 25.004 106.317 15.280 1.00 29.20 S ATOM 788 H CYS B 80 28.179 107.446 15.123 1.00 0.00 H ATOM 789 N VAL B 81 28.725 104.942 12.137 1.00 17.43 N ATOM 790 CA VAL B 81 29.734 104.966 11.102 1.00 17.07 C ATOM 791 C VAL B 81 29.120 104.537 9.752 1.00 15.43 C ATOM 792 O VAL B 81 28.432 103.516 9.722 1.00 18.63 O ATOM 793 CB VAL B 81 30.886 104.028 11.432 1.00 15.38 C ATOM 794 CG1 VAL B 81 32.014 104.163 10.428 1.00 15.86 C ATOM 795 CG2 VAL B 81 31.385 104.261 12.846 1.00 17.65 C ATOM 796 H VAL B 81 28.403 104.023 12.502 1.00 0.00 H ATOM 797 N PHE B 82 29.392 105.305 8.719 1.00 15.26 N ATOM 798 CA PHE B 82 29.166 104.867 7.343 1.00 16.50 C ATOM 799 C PHE B 82 30.473 105.019 6.565 1.00 21.00 C ATOM 800 O PHE B 82 31.434 105.634 7.072 1.00 18.28 O ATOM 801 CB PHE B 82 28.027 105.651 6.684 1.00 17.68 C ATOM 802 CG PHE B 82 28.332 107.080 6.442 1.00 16.53 C ATOM 803 CD1 PHE B 82 28.183 108.036 7.402 1.00 17.48 C ATOM 804 CD2 PHE B 82 28.775 107.484 5.172 1.00 16.70 C ATOM 805 CE1 PHE B 82 28.477 109.364 7.129 1.00 17.36 C ATOM 806 CE2 PHE B 82 29.075 108.817 4.918 1.00 17.91 C ATOM 807 CZ PHE B 82 28.914 109.762 5.893 1.00 16.86 C ATOM 808 H PHE B 82 29.781 106.255 8.887 1.00 0.00 H ATOM 809 N ALA B 83 30.532 104.481 5.339 1.00 16.89 N ATOM 810 CA ALA B 83 31.682 104.633 4.490 1.00 18.26 C ATOM 811 C ALA B 83 31.333 105.585 3.367 1.00 18.29 C ATOM 812 O ALA B 83 30.237 105.450 2.731 1.00 21.71 O ATOM 813 CB ALA B 83 32.117 103.282 3.928 1.00 18.07 C ATOM 814 H ALA B 83 29.718 103.935 4.990 1.00 0.00 H ATOM 815 N ILE B 84 32.203 106.564 3.108 1.00 18.12 N ATOM 816 CA ILE B 84 31.869 107.604 2.131 1.00 21.57 C ATOM 817 C ILE B 84 31.786 107.094 0.696 1.00 22.26 C ATOM 818 O ILE B 84 31.289 107.851 -0.180 1.00 22.68 O ATOM 819 CB ILE B 84 32.832 108.796 2.176 1.00 24.21 C ATOM 820 CG1 ILE B 84 34.271 108.324 1.806 1.00 28.80 C ATOM 821 CG2 ILE B 84 32.759 109.487 3.551 1.00 24.86 C ATOM 822 CD1 ILE B 84 34.968 109.245 0.901 1.00 38.18 C ATOM 823 H ILE B 84 33.119 106.589 3.600 1.00 0.00 H ATOM 824 N ASN B 85 32.269 105.870 0.453 1.00 20.40 N ATOM 825 CA ASN B 85 32.132 105.226 -0.883 1.00 26.95 C ATOM 826 C ASN B 85 30.993 104.217 -0.944 1.00 24.00 C ATOM 827 O ASN B 85 30.940 103.374 -1.884 1.00 24.27 O ATOM 828 CB ASN B 85 33.443 104.572 -1.315 1.00 26.37 C ATOM 829 CG ASN B 85 33.830 103.378 -0.409 1.00 28.87 C ATOM 830 OD1 ASN B 85 33.357 103.215 0.747 1.00 27.21 O ATOM 831 ND2 ASN B 85 34.694 102.548 -0.925 1.00 27.07 N ATOM 832 HD22 ASN B 85 35.065 102.712 -1.883 1.00 0.00 H ATOM 833 HD21 ASN B 85 35.012 101.722 -0.379 1.00 0.00 H ATOM 834 H ASN B 85 32.752 105.355 1.216 1.00 0.00 H ATOM 835 N ASN B 86 30.087 104.227 0.039 1.00 23.50 N ATOM 836 CA ASN B 86 29.037 103.217 0.134 1.00 25.34 C ATOM 837 C ASN B 86 27.732 103.887 0.520 1.00 26.01 C ATOM 838 O ASN B 86 27.419 104.101 1.702 1.00 20.65 O ATOM 839 CB ASN B 86 29.407 102.067 1.048 1.00 29.12 C ATOM 840 CG ASN B 86 28.400 100.927 0.933 1.00 32.69 C ATOM 841 OD1 ASN B 86 27.244 101.096 1.265 1.00 33.96 O ATOM 842 ND2 ASN B 86 28.796 99.885 0.257 1.00 47.66 N ATOM 843 HD22 ASN B 86 29.798 99.785 -0.004 1.00 0.00 H ATOM 844 HD21 ASN B 86 28.110 99.154 -0.021 1.00 0.00 H ATOM 845 H ASN B 86 30.131 104.977 0.758 1.00 0.00 H ATOM 846 N THR B 87 26.951 104.259 -0.495 1.00 23.46 N ATOM 847 CA THR B 87 25.718 104.996 -0.269 1.00 24.79 C ATOM 848 C THR B 87 24.724 104.280 0.602 1.00 21.66 C ATOM 849 O THR B 87 24.031 104.885 1.432 1.00 23.46 O ATOM 850 CB THR B 87 25.080 105.388 -1.664 1.00 30.72 C ATOM 851 OG1 THR B 87 25.999 106.228 -2.373 1.00 36.31 O ATOM 852 CG2 THR B 87 23.781 106.123 -1.460 1.00 31.29 C ATOM 853 HG1 THR B 87 26.847 105.739 -2.517 1.00 0.00 H ATOM 854 H THR B 87 27.229 104.017 -1.467 1.00 0.00 H ATOM 855 N LYS B 88 24.638 102.984 0.434 1.00 24.28 N ATOM 856 CA LYS B 88 23.736 102.186 1.226 1.00 26.83 C ATOM 857 C LYS B 88 24.076 102.289 2.751 1.00 25.05 C ATOM 858 O LYS B 88 23.178 102.404 3.600 1.00 23.36 O ATOM 859 CB LYS B 88 23.802 100.715 0.804 1.00 30.61 C ATOM 860 CG LYS B 88 22.869 99.801 1.567 1.00 41.99 C ATOM 861 CD LYS B 88 21.382 100.239 1.485 1.00 57.36 C ATOM 862 CE LYS B 88 20.396 99.132 1.845 1.00 63.27 C ATOM 863 NZ LYS B 88 20.836 98.431 3.090 1.00 62.47 N ATOM 864 HZ1 LYS B 88 21.776 98.013 2.937 1.00 0.00 H ATOM 865 HZ2 LYS B 88 20.882 99.114 3.873 1.00 0.00 H ATOM 866 HZ3 LYS B 88 20.155 97.680 3.323 1.00 0.00 H ATOM 867 H LYS B 88 25.232 102.522 -0.284 1.00 0.00 H ATOM 868 N SER B 89 25.365 102.271 3.078 1.00 20.93 N ATOM 869 CA SER B 89 25.754 102.422 4.500 1.00 20.23 C ATOM 870 C SER B 89 25.307 103.761 5.075 1.00 18.24 C ATOM 871 O SER B 89 24.948 103.864 6.244 1.00 20.69 O ATOM 872 CB SER B 89 27.286 102.191 4.657 1.00 19.20 C ATOM 873 OG SER B 89 28.016 103.298 4.143 1.00 20.07 O ATOM 874 HG SER B 89 27.806 103.413 3.182 1.00 0.00 H ATOM 875 H SER B 89 26.092 102.152 2.344 1.00 0.00 H ATOM 876 N PHE B 90 25.317 104.793 4.251 1.00 18.02 N ATOM 877 CA PHE B 90 24.836 106.091 4.651 1.00 22.55 C ATOM 878 C PHE B 90 23.311 106.099 4.883 1.00 22.38 C ATOM 879 O PHE B 90 22.838 106.639 5.882 1.00 20.54 O ATOM 880 CB PHE B 90 25.233 107.104 3.618 1.00 20.91 C ATOM 881 CG PHE B 90 24.804 108.509 3.924 1.00 22.50 C ATOM 882 CD1 PHE B 90 25.323 109.194 5.007 1.00 22.06 C ATOM 883 CD2 PHE B 90 23.858 109.168 3.100 1.00 24.84 C ATOM 884 CE1 PHE B 90 24.971 110.479 5.280 1.00 23.91 C ATOM 885 CE2 PHE B 90 23.490 110.464 3.388 1.00 27.50 C ATOM 886 CZ PHE B 90 24.052 111.137 4.480 1.00 25.67 C ATOM 887 H PHE B 90 25.683 104.665 3.286 1.00 0.00 H ATOM 888 N GLU B 91 22.579 105.508 3.952 1.00 24.66 N ATOM 889 CA GLU B 91 21.108 105.347 4.115 1.00 29.14 C ATOM 890 C GLU B 91 20.770 104.553 5.389 1.00 27.45 C ATOM 891 O GLU B 91 19.840 104.924 6.104 1.00 31.42 O ATOM 892 CB GLU B 91 20.488 104.682 2.872 1.00 29.14 C ATOM 893 CG GLU B 91 20.545 105.618 1.677 1.00 32.72 C ATOM 894 CD GLU B 91 20.288 104.909 0.307 1.00 38.57 C ATOM 895 OE1 GLU B 91 20.079 103.684 0.258 1.00 39.03 O ATOM 896 OE2 GLU B 91 20.368 105.584 -0.748 1.00 41.79 O ATOM 897 H GLU B 91 23.040 105.150 3.091 1.00 0.00 H ATOM 898 N ASP B 92 21.568 103.540 5.711 1.00 25.45 N ATOM 899 CA ASP B 92 21.354 102.753 6.918 1.00 26.05 C ATOM 900 C ASP B 92 21.504 103.499 8.242 1.00 23.71 C ATOM 901 O ASP B 92 20.960 103.022 9.254 1.00 23.46 O ATOM 902 CB ASP B 92 22.337 101.559 7.016 1.00 31.99 C ATOM 903 CG ASP B 92 22.076 100.458 6.001 1.00 47.52 C ATOM 904 OD1 ASP B 92 21.000 100.435 5.345 1.00 49.20 O ATOM 905 OD2 ASP B 92 23.008 99.599 5.864 1.00 56.28 O ATOM 906 H ASP B 92 22.365 103.303 5.086 1.00 0.00 H ATOM 907 N ILE B 93 22.241 104.629 8.248 1.00 23.19 N ATOM 908 CA ILE B 93 22.503 105.352 9.477 1.00 24.16 C ATOM 909 C ILE B 93 21.189 105.678 10.201 1.00 23.76 C ATOM 910 O ILE B 93 21.086 105.580 11.412 1.00 23.37 O ATOM 911 CB ILE B 93 23.279 106.681 9.204 1.00 20.97 C ATOM 912 CG1 ILE B 93 24.696 106.398 8.826 1.00 24.42 C ATOM 913 CG2 ILE B 93 23.172 107.692 10.350 1.00 22.28 C ATOM 914 CD1 ILE B 93 25.551 105.857 9.941 1.00 26.10 C ATOM 915 H ILE B 93 22.629 104.989 7.353 1.00 0.00 H ATOM 916 N HIS B 94 20.200 106.119 9.417 1.00 23.51 N ATOM 917 CA HIS B 94 18.931 106.489 10.038 1.00 23.09 C ATOM 918 C HIS B 94 18.311 105.388 10.866 1.00 19.89 C ATOM 919 O HIS B 94 17.821 105.629 11.964 1.00 20.59 O ATOM 920 CB HIS B 94 17.972 107.034 8.978 1.00 25.87 C ATOM 921 CG HIS B 94 16.740 107.575 9.608 1.00 25.88 C ATOM 922 ND1 HIS B 94 16.610 108.904 9.946 1.00 26.39 N ATOM 923 CD2 HIS B 94 15.576 106.974 9.936 1.00 27.41 C ATOM 924 CE1 HIS B 94 15.394 109.104 10.446 1.00 28.93 C ATOM 925 NE2 HIS B 94 14.746 107.942 10.445 1.00 25.25 N ATOM 926 H HIS B 94 20.331 106.197 8.388 1.00 0.00 H ATOM 927 N HIS B 95 18.398 104.163 10.399 1.00 18.72 N ATOM 928 CA HIS B 95 17.900 102.968 11.063 1.00 19.44 C ATOM 929 C HIS B 95 18.658 102.630 12.341 1.00 23.87 C ATOM 930 O HIS B 95 18.014 102.234 13.378 1.00 20.24 O ATOM 931 CB HIS B 95 17.882 101.775 10.138 1.00 22.36 C ATOM 932 CG HIS B 95 17.023 101.940 8.926 1.00 29.58 C ATOM 933 ND1 HIS B 95 15.637 102.074 9.001 1.00 29.35 N ATOM 934 CD2 HIS B 95 17.339 101.946 7.603 1.00 36.24 C ATOM 935 CE1 HIS B 95 15.156 102.210 7.772 1.00 36.00 C ATOM 936 NE2 HIS B 95 16.166 102.141 6.908 1.00 38.71 N ATOM 937 H HIS B 95 18.862 104.037 9.477 1.00 0.00 H ATOM 938 N TYR B 96 20.002 102.772 12.328 1.00 19.89 N ATOM 939 CA TYR B 96 20.741 102.608 13.585 1.00 20.89 C ATOM 940 C TYR B 96 20.334 103.630 14.624 1.00 17.41 C ATOM 941 O TYR B 96 20.086 103.277 15.803 1.00 22.68 O ATOM 942 CB TYR B 96 22.283 102.663 13.367 1.00 21.88 C ATOM 943 CG TYR B 96 22.763 101.468 12.615 1.00 21.98 C ATOM 944 CD1 TYR B 96 23.034 100.326 13.286 1.00 25.35 C ATOM 945 CD2 TYR B 96 23.023 101.522 11.276 1.00 25.62 C ATOM 946 CE1 TYR B 96 23.482 99.171 12.627 1.00 29.77 C ATOM 947 CE2 TYR B 96 23.459 100.399 10.579 1.00 30.10 C ATOM 948 CZ TYR B 96 23.683 99.236 11.264 1.00 32.00 C ATOM 949 OH TYR B 96 24.128 98.115 10.587 1.00 29.33 O ATOM 950 HH TYR B 96 24.238 97.367 11.226 1.00 0.00 H ATOM 951 H TYR B 96 20.503 102.993 11.444 1.00 0.00 H ATOM 952 N ARG B 97 20.221 104.880 14.182 1.00 19.60 N ATOM 953 CA ARG B 97 19.882 105.924 15.104 1.00 19.43 C ATOM 954 C ARG B 97 18.457 105.694 15.706 1.00 23.31 C ATOM 955 O ARG B 97 18.232 105.908 16.874 1.00 21.41 O ATOM 956 CB ARG B 97 19.938 107.250 14.412 1.00 20.44 C ATOM 957 CG ARG B 97 19.471 108.370 15.291 1.00 24.35 C ATOM 958 CD ARG B 97 19.781 109.738 14.726 1.00 26.78 C ATOM 959 NE ARG B 97 19.052 110.779 15.448 1.00 29.69 N ATOM 960 CZ ARG B 97 19.461 111.441 16.526 1.00 37.83 C ATOM 961 NH1 ARG B 97 20.649 111.211 17.132 1.00 39.07 N ATOM 962 NH2 ARG B 97 18.665 112.369 17.026 1.00 38.30 N ATOM 963 HE ARG B 97 18.112 111.029 15.079 1.00 0.00 H ATOM 964 HH12 ARG B 97 20.918 111.759 17.974 1.00 0.00 H ATOM 965 HH11 ARG B 97 21.293 110.486 16.756 1.00 0.00 H ATOM 966 HH22 ARG B 97 18.956 112.905 17.869 1.00 0.00 H ATOM 967 HH21 ARG B 97 17.747 112.564 16.577 1.00 0.00 H ATOM 968 H ARG B 97 20.377 105.098 13.177 1.00 0.00 H ATOM 969 N GLU B 98 17.522 105.286 14.869 1.00 23.07 N ATOM 970 CA GLU B 98 16.126 105.025 15.337 1.00 25.53 C ATOM 971 C GLU B 98 16.076 103.938 16.373 1.00 22.01 C ATOM 972 O GLU B 98 15.397 104.105 17.401 1.00 24.99 O ATOM 973 CB GLU B 98 15.199 104.643 14.173 1.00 25.22 C ATOM 974 CG GLU B 98 14.761 105.813 13.393 1.00 35.96 C ATOM 975 CD GLU B 98 13.951 106.804 14.239 1.00 33.35 C ATOM 976 OE1 GLU B 98 12.953 106.431 14.928 1.00 40.02 O ATOM 977 OE2 GLU B 98 14.260 107.986 14.168 1.00 34.54 O ATOM 978 H GLU B 98 17.760 105.144 13.867 1.00 0.00 H ATOM 979 N GLN B 99 16.800 102.857 16.112 1.00 23.02 N ATOM 980 CA GLN B 99 16.846 101.774 17.057 1.00 26.27 C ATOM 981 C GLN B 99 17.405 102.215 18.435 1.00 30.52 C ATOM 982 O GLN B 99 16.860 101.864 19.513 1.00 29.27 O ATOM 983 CB GLN B 99 17.633 100.610 16.497 1.00 27.85 C ATOM 984 CG GLN B 99 17.606 99.292 17.327 1.00 33.43 C ATOM 985 CD GLN B 99 16.193 98.696 17.619 1.00 40.10 C ATOM 986 OE1 GLN B 99 15.225 98.992 16.935 1.00 35.94 O ATOM 987 NE2 GLN B 99 16.087 97.872 18.654 1.00 37.61 N ATOM 988 HE22 GLN B 99 16.927 97.637 19.220 1.00 0.00 H ATOM 989 HE21 GLN B 99 15.163 97.462 18.899 1.00 0.00 H ATOM 990 H GLN B 99 17.335 102.793 15.223 1.00 0.00 H ATOM 991 N ILE B 100 18.462 103.011 18.389 1.00 28.20 N ATOM 992 CA ILE B 100 19.076 103.506 19.613 1.00 25.64 C ATOM 993 C ILE B 100 18.097 104.437 20.367 1.00 26.09 C ATOM 994 O ILE B 100 17.978 104.380 21.606 1.00 27.39 O ATOM 995 CB ILE B 100 20.383 104.298 19.277 1.00 22.83 C ATOM 996 CG1 ILE B 100 21.455 103.313 18.799 1.00 24.38 C ATOM 997 CG2 ILE B 100 20.884 105.045 20.525 1.00 25.02 C ATOM 998 CD1 ILE B 100 22.594 103.992 18.037 1.00 26.48 C ATOM 999 H ILE B 100 18.858 103.286 17.468 1.00 0.00 H ATOM 1000 N LYS B 101 17.462 105.340 19.667 1.00 26.38 N ATOM 1001 CA LYS B 101 16.479 106.259 20.282 1.00 31.90 C ATOM 1002 C LYS B 101 15.310 105.516 20.960 1.00 30.25 C ATOM 1003 O LYS B 101 14.870 105.888 22.056 1.00 27.48 O ATOM 1004 CB LYS B 101 15.936 107.244 19.278 1.00 33.40 C ATOM 1005 CG LYS B 101 16.905 108.315 18.843 1.00 34.86 C ATOM 1006 CD LYS B 101 16.237 109.388 17.970 1.00 40.62 C ATOM 1007 CE LYS B 101 14.987 108.998 17.242 1.00 41.11 C ATOM 1008 NZ LYS B 101 14.633 109.929 16.158 1.00 40.17 N ATOM 1009 HZ1 LYS B 101 14.483 110.879 16.554 1.00 0.00 H ATOM 1010 HZ2 LYS B 101 15.406 109.959 15.463 1.00 0.00 H ATOM 1011 HZ3 LYS B 101 13.761 109.604 15.695 1.00 0.00 H ATOM 1012 H LYS B 101 17.653 105.415 18.648 1.00 0.00 H ATOM 1013 N ARG B 102 14.856 104.460 20.343 1.00 28.67 N ATOM 1014 CA ARG B 102 13.821 103.602 20.901 1.00 32.25 C ATOM 1015 C ARG B 102 14.271 102.867 22.139 1.00 36.24 C ATOM 1016 O ARG B 102 13.535 102.828 23.129 1.00 32.01 O ATOM 1017 CB ARG B 102 13.346 102.568 19.868 1.00 31.14 C ATOM 1018 CG ARG B 102 12.207 103.049 18.979 1.00 30.49 C ATOM 1019 CD ARG B 102 11.537 101.847 18.304 1.00 30.26 C ATOM 1020 NE ARG B 102 12.470 101.117 17.408 1.00 29.27 N ATOM 1021 CZ ARG B 102 12.684 101.394 16.128 1.00 28.23 C ATOM 1022 NH1 ARG B 102 12.097 102.405 15.519 1.00 27.70 N ATOM 1023 NH2 ARG B 102 13.548 100.676 15.441 1.00 27.69 N ATOM 1024 HE ARG B 102 13.000 100.322 17.818 1.00 0.00 H ATOM 1025 HH12 ARG B 102 12.290 102.590 14.514 1.00 0.00 H ATOM 1026 HH11 ARG B 102 11.440 103.018 16.043 1.00 0.00 H ATOM 1027 HH22 ARG B 102 13.720 100.889 14.438 1.00 0.00 H ATOM 1028 HH21 ARG B 102 14.059 99.896 15.902 1.00 0.00 H ATOM 1029 H ARG B 102 15.251 104.221 19.411 1.00 0.00 H ATOM 1030 N VAL B 103 15.443 102.253 22.104 1.00 36.48 N ATOM 1031 CA VAL B 103 15.943 101.532 23.273 1.00 32.39 C ATOM 1032 C VAL B 103 16.197 102.464 24.449 1.00 32.18 C ATOM 1033 O VAL B 103 15.947 102.103 25.581 1.00 39.00 O ATOM 1034 CB VAL B 103 17.217 100.699 22.941 1.00 30.80 C ATOM 1035 CG1 VAL B 103 17.839 100.131 24.210 1.00 34.92 C ATOM 1036 CG2 VAL B 103 16.900 99.628 21.974 1.00 30.51 C ATOM 1037 H VAL B 103 16.014 102.284 21.235 1.00 0.00 H ATOM 1038 N LYS B 104 16.715 103.653 24.198 1.00 31.55 N ATOM 1039 CA LYS B 104 17.006 104.616 25.261 1.00 38.44 C ATOM 1040 C LYS B 104 15.794 105.518 25.582 1.00 44.20 C ATOM 1041 O LYS B 104 15.822 106.323 26.511 1.00 36.62 O ATOM 1042 CB LYS B 104 18.258 105.420 24.939 1.00 44.00 C ATOM 1043 CG LYS B 104 19.448 104.445 24.779 1.00 47.66 C ATOM 1044 CD LYS B 104 20.879 104.916 24.807 1.00 49.36 C ATOM 1045 CE LYS B 104 21.330 105.056 26.208 1.00 40.68 C ATOM 1046 NZ LYS B 104 21.795 103.786 26.818 1.00 34.75 N ATOM 1047 HZ1 LYS B 104 21.018 103.095 26.811 1.00 0.00 H ATOM 1048 HZ2 LYS B 104 22.597 103.413 26.271 1.00 0.00 H ATOM 1049 HZ3 LYS B 104 22.095 103.963 27.798 1.00 0.00 H ATOM 1050 H LYS B 104 16.923 103.913 23.213 1.00 0.00 H ATOM 1051 N ASP B 105 14.743 105.392 24.788 1.00 37.80 N ATOM 1052 CA ASP B 105 13.514 106.164 24.942 1.00 39.09 C ATOM 1053 C ASP B 105 13.793 107.627 25.064 1.00 48.08 C ATOM 1054 O ASP B 105 13.318 108.281 25.969 1.00 54.02 O ATOM 1055 CB ASP B 105 12.674 105.604 26.091 1.00 41.65 C ATOM 1056 CG ASP B 105 11.152 105.818 25.811 1.00 49.11 C ATOM 1057 OD1 ASP B 105 10.735 106.978 25.568 1.00 44.56 O ATOM 1058 OD2 ASP B 105 10.359 104.823 25.793 1.00 47.85 O ATOM 1059 H ASP B 105 14.796 104.704 24.010 1.00 0.00 H ATOM 1060 N SER B 106 14.574 108.152 24.118 1.00 39.41 N ATOM 1061 CA SER B 106 14.986 109.538 24.144 1.00 41.42 C ATOM 1062 C SER B 106 15.348 110.046 22.758 1.00 39.70 C ATOM 1063 O SER B 106 15.863 109.280 21.932 1.00 41.17 O ATOM 1064 CB SER B 106 16.216 109.661 25.107 1.00 44.85 C ATOM 1065 OG SER B 106 16.844 110.903 24.976 1.00 51.49 O ATOM 1066 HG SER B 106 17.615 110.949 25.596 1.00 0.00 H ATOM 1067 H SER B 106 14.897 107.545 23.337 1.00 0.00 H ATOM 1068 N GLU B 107 15.153 111.331 22.520 1.00 42.22 N ATOM 1069 CA GLU B 107 15.577 112.017 21.299 1.00 48.10 C ATOM 1070 C GLU B 107 17.039 112.495 21.389 1.00 47.47 C ATOM 1071 O GLU B 107 17.633 112.840 20.380 1.00 49.76 O ATOM 1072 CB GLU B 107 14.701 113.275 21.097 1.00 61.23 C ATOM 1073 CG GLU B 107 13.240 112.992 20.764 1.00 73.69 C ATOM 1074 CD GLU B 107 13.046 112.570 19.323 1.00 78.77 C ATOM 1075 OE1 GLU B 107 13.471 113.311 18.410 1.00 82.05 O ATOM 1076 OE2 GLU B 107 12.454 111.499 19.089 1.00 92.86 O ATOM 1077 H GLU B 107 14.666 111.892 23.248 1.00 0.00 H ATOM 1078 N ASP B 108 17.598 112.524 22.589 1.00 41.05 N ATOM 1079 CA ASP B 108 18.835 113.222 22.884 1.00 49.50 C ATOM 1080 C ASP B 108 19.829 112.170 23.442 1.00 42.10 C ATOM 1081 O ASP B 108 20.062 112.072 24.613 1.00 52.34 O ATOM 1082 CB ASP B 108 18.515 114.335 23.904 1.00 58.35 C ATOM 1083 CG ASP B 108 19.693 115.211 24.235 1.00 77.50 C ATOM 1084 OD1 ASP B 108 20.423 115.626 23.303 1.00 90.20 O ATOM 1085 OD2 ASP B 108 19.872 115.502 25.447 1.00 92.85 O ATOM 1086 H ASP B 108 17.123 112.018 23.364 1.00 0.00 H ATOM 1087 N VAL B 109 20.362 111.342 22.560 1.00 36.12 N ATOM 1088 CA VAL B 109 21.335 110.327 22.958 1.00 29.56 C ATOM 1089 C VAL B 109 22.675 110.815 22.382 1.00 27.20 C ATOM 1090 O VAL B 109 22.733 111.237 21.256 1.00 22.80 O ATOM 1091 CB VAL B 109 21.014 108.974 22.327 1.00 31.39 C ATOM 1092 CG1 VAL B 109 22.048 107.937 22.751 1.00 27.48 C ATOM 1093 CG2 VAL B 109 19.603 108.540 22.684 1.00 34.28 C ATOM 1094 H VAL B 109 20.083 111.415 21.561 1.00 0.00 H ATOM 1095 N PRO B 110 23.757 110.800 23.175 1.00 23.60 N ATOM 1096 CA PRO B 110 25.062 111.247 22.627 1.00 23.83 C ATOM 1097 C PRO B 110 25.507 110.352 21.458 1.00 20.20 C ATOM 1098 O PRO B 110 25.533 109.120 21.575 1.00 20.26 O ATOM 1099 CB PRO B 110 25.999 111.054 23.802 1.00 25.59 C ATOM 1100 CG PRO B 110 25.066 111.209 25.003 1.00 27.96 C ATOM 1101 CD PRO B 110 23.835 110.502 24.612 1.00 26.86 C ATOM 1102 N MET B 111 25.778 110.997 20.352 1.00 20.65 N ATOM 1103 CA MET B 111 26.101 110.334 19.119 1.00 22.39 C ATOM 1104 C MET B 111 26.943 111.233 18.276 1.00 18.43 C ATOM 1105 O MET B 111 26.817 112.458 18.346 1.00 20.81 O ATOM 1106 CB MET B 111 24.835 110.051 18.254 1.00 23.78 C ATOM 1107 CG MET B 111 23.919 109.044 18.708 1.00 36.55 C ATOM 1108 SD MET B 111 22.837 108.629 17.272 1.00 35.64 S ATOM 1109 CE MET B 111 22.045 107.547 18.366 1.00 34.74 C ATOM 1110 H MET B 111 25.759 112.037 20.366 1.00 0.00 H ATOM 1111 N VAL B 112 27.775 110.612 17.443 1.00 18.25 N ATOM 1112 CA VAL B 112 28.545 111.285 16.446 1.00 17.82 C ATOM 1113 C VAL B 112 28.380 110.538 15.149 1.00 17.65 C ATOM 1114 O VAL B 112 28.459 109.305 15.138 1.00 18.70 O ATOM 1115 CB VAL B 112 30.060 111.342 16.834 1.00 19.93 C ATOM 1116 CG1 VAL B 112 30.891 111.906 15.722 1.00 20.99 C ATOM 1117 CG2 VAL B 112 30.219 112.182 18.124 1.00 22.00 C ATOM 1118 H VAL B 112 27.870 109.579 17.523 1.00 0.00 H ATOM 1119 N LEU B 113 28.181 111.276 14.064 1.00 18.92 N ATOM 1120 CA LEU B 113 28.131 110.695 12.747 1.00 19.27 C ATOM 1121 C LEU B 113 29.563 110.687 12.159 1.00 18.94 C ATOM 1122 O LEU B 113 30.203 111.719 12.077 1.00 19.43 O ATOM 1123 CB LEU B 113 27.235 111.520 11.845 1.00 19.56 C ATOM 1124 CG LEU B 113 27.033 110.962 10.423 1.00 21.54 C ATOM 1125 CD1 LEU B 113 26.296 109.638 10.474 1.00 19.70 C ATOM 1126 CD2 LEU B 113 26.293 111.970 9.580 1.00 24.66 C ATOM 1127 H LEU B 113 28.058 112.303 14.168 1.00 0.00 H ATOM 1128 N VAL B 114 30.011 109.508 11.729 1.00 17.36 N ATOM 1129 CA VAL B 114 31.342 109.318 11.236 1.00 17.39 C ATOM 1130 C VAL B 114 31.296 108.839 9.799 1.00 17.31 C ATOM 1131 O VAL B 114 30.746 107.774 9.517 1.00 18.66 O ATOM 1132 CB VAL B 114 32.087 108.270 12.075 1.00 16.35 C ATOM 1133 CG1 VAL B 114 33.460 108.011 11.506 1.00 16.58 C ATOM 1134 CG2 VAL B 114 32.183 108.752 13.530 1.00 22.10 C ATOM 1135 H VAL B 114 29.367 108.692 11.752 1.00 0.00 H ATOM 1136 N GLY B 115 31.844 109.629 8.915 1.00 16.47 N ATOM 1137 CA GLY B 115 32.054 109.241 7.518 1.00 18.71 C ATOM 1138 C GLY B 115 33.462 108.722 7.296 1.00 17.51 C ATOM 1139 O GLY B 115 34.406 109.514 7.149 1.00 18.34 O ATOM 1140 H GLY B 115 32.145 110.578 9.217 1.00 0.00 H ATOM 1141 N ASN B 116 33.604 107.400 7.256 1.00 16.96 N ATOM 1142 CA ASN B 116 34.901 106.768 7.200 1.00 16.87 C ATOM 1143 C ASN B 116 35.319 106.439 5.749 1.00 18.48 C ATOM 1144 O ASN B 116 34.535 106.568 4.779 1.00 18.07 O ATOM 1145 CB ASN B 116 34.872 105.517 8.055 1.00 16.73 C ATOM 1146 CG ASN B 116 36.248 104.905 8.254 1.00 20.41 C ATOM 1147 OD1 ASN B 116 37.237 105.646 8.519 1.00 17.44 O ATOM 1148 ND2 ASN B 116 36.343 103.610 8.069 1.00 14.04 N ATOM 1149 HD22 ASN B 116 35.492 103.052 7.853 1.00 0.00 H ATOM 1150 HD21 ASN B 116 37.269 103.141 8.138 1.00 0.00 H ATOM 1151 H ASN B 116 32.753 106.802 7.265 1.00 0.00 H ATOM 1152 N LYS B 117 36.583 106.112 5.610 1.00 16.15 N ATOM 1153 CA LYS B 117 37.266 105.818 4.343 1.00 15.64 C ATOM 1154 C LYS B 117 37.478 107.049 3.505 1.00 18.09 C ATOM 1155 O LYS B 117 37.459 106.982 2.254 1.00 20.13 O ATOM 1156 CB LYS B 117 36.626 104.694 3.556 1.00 19.01 C ATOM 1157 CG LYS B 117 36.217 103.454 4.357 1.00 20.07 C ATOM 1158 CD LYS B 117 36.022 102.212 3.509 1.00 18.16 C ATOM 1159 CE LYS B 117 35.552 101.080 4.347 1.00 20.67 C ATOM 1160 NZ LYS B 117 35.301 99.846 3.497 1.00 20.73 N ATOM 1161 HZ1 LYS B 117 34.575 100.060 2.784 1.00 0.00 H ATOM 1162 HZ2 LYS B 117 36.184 99.568 3.022 1.00 0.00 H ATOM 1163 HZ3 LYS B 117 34.973 99.068 4.105 1.00 0.00 H ATOM 1164 H LYS B 117 37.154 106.056 6.478 1.00 0.00 H ATOM 1165 N CYS B 118 37.686 108.210 4.143 1.00 20.94 N ATOM 1166 CA CYS B 118 37.827 109.442 3.363 1.00 23.30 C ATOM 1167 C CYS B 118 39.148 109.503 2.556 1.00 27.26 C ATOM 1168 O CYS B 118 39.319 110.416 1.771 1.00 26.10 O ATOM 1169 CB CYS B 118 37.667 110.702 4.220 1.00 24.67 C ATOM 1170 SG CYS B 118 39.068 110.904 5.396 1.00 29.92 S ATOM 1171 H CYS B 118 37.747 108.236 5.181 1.00 0.00 H ATOM 1172 N ASP B 119 40.058 108.551 2.734 1.00 23.15 N ATOM 1173 CA ASP B 119 41.218 108.387 1.867 1.00 24.73 C ATOM 1174 C ASP B 119 40.912 107.799 0.484 1.00 27.80 C ATOM 1175 O ASP B 119 41.739 107.876 -0.418 1.00 26.73 O ATOM 1176 CB ASP B 119 42.282 107.547 2.543 1.00 24.42 C ATOM 1177 CG ASP B 119 41.776 106.121 2.850 1.00 23.24 C ATOM 1178 OD1 ASP B 119 40.858 105.975 3.763 1.00 20.63 O ATOM 1179 OD2 ASP B 119 42.180 105.168 2.139 1.00 23.27 O ATOM 1180 H ASP B 119 39.937 107.892 3.529 1.00 0.00 H ATOM 1181 N LEU B 120 39.762 107.178 0.306 1.00 25.30 N ATOM 1182 CA LEU B 120 39.504 106.435 -0.922 1.00 27.75 C ATOM 1183 C LEU B 120 38.955 107.396 -1.982 1.00 31.30 C ATOM 1184 O LEU B 120 38.232 108.306 -1.661 1.00 31.07 O ATOM 1185 CB LEU B 120 38.506 105.311 -0.714 1.00 28.30 C ATOM 1186 CG LEU B 120 39.080 104.173 0.110 1.00 31.16 C ATOM 1187 CD1 LEU B 120 37.982 103.127 0.272 1.00 32.52 C ATOM 1188 CD2 LEU B 120 40.311 103.526 -0.557 1.00 31.02 C ATOM 1189 H LEU B 120 39.034 107.219 1.047 1.00 0.00 H ATOM 1190 N PRO B 121 39.293 107.141 -3.233 1.00 28.25 N ATOM 1191 CA PRO B 121 38.883 108.108 -4.309 1.00 31.25 C ATOM 1192 C PRO B 121 37.445 108.001 -4.770 1.00 33.47 C ATOM 1193 O PRO B 121 36.949 108.970 -5.388 1.00 49.92 O ATOM 1194 CB PRO B 121 39.882 107.769 -5.432 1.00 28.45 C ATOM 1195 CG PRO B 121 40.120 106.304 -5.268 1.00 31.35 C ATOM 1196 CD PRO B 121 40.214 106.114 -3.747 1.00 30.11 C ATOM 1197 N SER B 122 36.768 106.941 -4.478 1.00 29.53 N ATOM 1198 CA SER B 122 35.420 106.755 -5.216 1.00 37.19 C ATOM 1199 C SER B 122 34.243 107.209 -4.322 1.00 34.91 C ATOM 1200 O SER B 122 33.270 106.470 -4.053 1.00 40.22 O ATOM 1201 CB SER B 122 35.207 105.320 -5.714 1.00 41.48 C ATOM 1202 OG SER B 122 35.881 105.123 -6.963 1.00 53.39 O ATOM 1203 HG SER B 122 35.735 104.194 -7.272 1.00 0.00 H ATOM 1204 H SER B 122 37.111 106.248 -3.783 1.00 0.00 H ATOM 1205 N ARG B 123 34.330 108.442 -3.862 1.00 30.20 N ATOM 1206 CA ARG B 123 33.343 108.981 -2.894 1.00 33.20 C ATOM 1207 C ARG B 123 31.950 108.983 -3.563 1.00 34.04 C ATOM 1208 O ARG B 123 31.812 109.458 -4.663 1.00 31.20 O ATOM 1209 CB ARG B 123 33.731 110.404 -2.528 1.00 35.82 C ATOM 1210 CG ARG B 123 32.647 111.154 -1.796 1.00 38.16 C ATOM 1211 CD ARG B 123 33.007 112.584 -1.567 1.00 41.65 C ATOM 1212 NE ARG B 123 34.084 112.750 -0.621 1.00 39.36 N ATOM 1213 CZ ARG B 123 33.954 112.845 0.707 1.00 39.91 C ATOM 1214 NH1 ARG B 123 32.770 112.704 1.341 1.00 34.51 N ATOM 1215 NH2 ARG B 123 35.052 113.062 1.413 1.00 36.97 N ATOM 1216 HE ARG B 123 35.049 112.800 -1.007 1.00 0.00 H ATOM 1217 HH12 ARG B 123 32.722 112.787 2.377 1.00 0.00 H ATOM 1218 HH11 ARG B 123 31.907 112.513 0.794 1.00 0.00 H ATOM 1219 HH22 ARG B 123 34.997 113.143 2.448 1.00 0.00 H ATOM 1220 HH21 ARG B 123 35.970 113.152 0.932 1.00 0.00 H ATOM 1221 H ARG B 123 35.109 109.051 -4.185 1.00 0.00 H ATOM 1222 N THR B 124 30.937 108.461 -2.882 1.00 25.93 N ATOM 1223 CA THR B 124 29.524 108.575 -3.362 1.00 33.02 C ATOM 1224 C THR B 124 28.635 109.390 -2.442 1.00 34.99 C ATOM 1225 O THR B 124 27.534 109.771 -2.833 1.00 33.84 O ATOM 1226 CB THR B 124 28.887 107.207 -3.569 1.00 36.33 C ATOM 1227 OG1 THR B 124 28.854 106.515 -2.300 1.00 35.45 O ATOM 1228 CG2 THR B 124 29.694 106.363 -4.630 1.00 39.16 C ATOM 1229 HG1 THR B 124 28.441 105.623 -2.422 1.00 0.00 H ATOM 1230 H THR B 124 31.130 107.960 -1.992 1.00 0.00 H ATOM 1231 N VAL B 125 29.090 109.695 -1.224 1.00 30.31 N ATOM 1232 CA VAL B 125 28.355 110.525 -0.292 1.00 27.51 C ATOM 1233 C VAL B 125 29.081 111.810 -0.144 1.00 29.31 C ATOM 1234 O VAL B 125 30.233 111.829 0.335 1.00 26.95 O ATOM 1235 CB VAL B 125 28.212 109.850 1.111 1.00 29.14 C ATOM 1236 CG1 VAL B 125 27.377 110.715 2.042 1.00 30.40 C ATOM 1237 CG2 VAL B 125 27.664 108.444 0.949 1.00 27.73 C ATOM 1238 H VAL B 125 30.015 109.319 -0.931 1.00 0.00 H ATOM 1239 N ASP B 126 28.423 112.907 -0.518 1.00 34.35 N ATOM 1240 CA ASP B 126 28.999 114.238 -0.402 1.00 35.81 C ATOM 1241 C ASP B 126 29.104 114.636 1.065 1.00 34.96 C ATOM 1242 O ASP B 126 28.200 114.349 1.838 1.00 32.64 O ATOM 1243 CB ASP B 126 28.062 115.254 -1.114 1.00 50.52 C ATOM 1244 CG ASP B 126 28.284 115.305 -2.602 1.00 66.53 C ATOM 1245 OD1 ASP B 126 28.370 114.216 -3.230 1.00 72.47 O ATOM 1246 OD2 ASP B 126 28.393 116.444 -3.164 1.00 85.86 O ATOM 1247 H ASP B 126 27.463 112.808 -0.907 1.00 0.00 H ATOM 1248 N THR B 127 30.166 115.341 1.412 1.00 32.50 N ATOM 1249 CA THR B 127 30.344 115.925 2.706 1.00 35.51 C ATOM 1250 C THR B 127 29.148 116.779 3.108 1.00 36.20 C ATOM 1251 O THR B 127 28.666 116.699 4.244 1.00 30.63 O ATOM 1252 CB THR B 127 31.632 116.773 2.748 1.00 39.29 C ATOM 1253 OG1 THR B 127 32.737 115.904 2.543 1.00 44.02 O ATOM 1254 CG2 THR B 127 31.825 117.490 4.084 1.00 39.48 C ATOM 1255 HG1 THR B 127 32.754 115.220 3.258 1.00 0.00 H ATOM 1256 H THR B 127 30.915 115.479 0.704 1.00 0.00 H ATOM 1257 N LYS B 128 28.653 117.579 2.192 1.00 33.89 N ATOM 1258 CA LYS B 128 27.513 118.448 2.490 1.00 34.51 C ATOM 1259 C LYS B 128 26.253 117.671 2.837 1.00 29.60 C ATOM 1260 O LYS B 128 25.533 118.062 3.738 1.00 31.51 O ATOM 1261 CB LYS B 128 27.236 119.416 1.305 1.00 41.76 C ATOM 1262 CG LYS B 128 26.198 120.475 1.668 1.00 47.06 C ATOM 1263 CD LYS B 128 26.370 121.889 1.041 1.00 62.81 C ATOM 1264 CE LYS B 128 25.898 123.029 1.979 1.00 65.72 C ATOM 1265 NZ LYS B 128 24.609 122.828 2.744 1.00 68.99 N ATOM 1266 HZ1 LYS B 128 23.827 122.687 2.073 1.00 0.00 H ATOM 1267 HZ2 LYS B 128 24.697 121.992 3.356 1.00 0.00 H ATOM 1268 HZ3 LYS B 128 24.419 123.668 3.328 1.00 0.00 H ATOM 1269 H LYS B 128 29.076 117.596 1.242 1.00 0.00 H ATOM 1270 N GLN B 129 25.993 116.554 2.166 1.00 28.82 N ATOM 1271 CA GLN B 129 24.827 115.741 2.480 1.00 32.03 C ATOM 1272 C GLN B 129 24.951 115.153 3.912 1.00 29.33 C ATOM 1273 O GLN B 129 23.967 115.063 4.660 1.00 25.72 O ATOM 1274 CB GLN B 129 24.720 114.503 1.604 1.00 36.85 C ATOM 1275 CG GLN B 129 24.215 114.500 0.209 1.00 50.97 C ATOM 1276 CD GLN B 129 24.414 113.080 -0.388 1.00 55.86 C ATOM 1277 OE1 GLN B 129 25.444 112.834 -1.063 1.00 55.35 O ATOM 1278 NE2 GLN B 129 23.484 112.131 -0.084 1.00 47.29 N ATOM 1279 HE22 GLN B 129 22.647 112.385 0.479 1.00 0.00 H ATOM 1280 HE21 GLN B 129 23.612 111.153 -0.415 1.00 0.00 H ATOM 1281 H GLN B 129 26.634 116.255 1.403 1.00 0.00 H ATOM 1282 N ALA B 130 26.159 114.703 4.273 1.00 27.87 N ATOM 1283 CA ALA B 130 26.365 114.135 5.594 1.00 26.52 C ATOM 1284 C ALA B 130 26.265 115.199 6.664 1.00 25.74 C ATOM 1285 O ALA B 130 25.702 114.971 7.711 1.00 23.54 O ATOM 1286 CB ALA B 130 27.706 113.407 5.666 1.00 30.43 C ATOM 1287 H ALA B 130 26.954 114.760 3.605 1.00 0.00 H ATOM 1288 N GLN B 131 26.844 116.386 6.412 1.00 24.13 N ATOM 1289 CA GLN B 131 26.715 117.474 7.324 1.00 30.23 C ATOM 1290 C GLN B 131 25.261 117.883 7.558 1.00 28.61 C ATOM 1291 O GLN B 131 24.880 118.220 8.672 1.00 28.29 O ATOM 1292 CB GLN B 131 27.484 118.689 6.841 1.00 31.38 C ATOM 1293 CG GLN B 131 28.977 118.582 6.953 1.00 42.41 C ATOM 1294 CD GLN B 131 29.678 119.808 6.387 1.00 44.88 C ATOM 1295 OE1 GLN B 131 29.289 120.362 5.343 1.00 51.21 O ATOM 1296 NE2 GLN B 131 30.742 120.191 7.038 1.00 45.76 N ATOM 1297 HE22 GLN B 131 31.027 119.695 7.907 1.00 0.00 H ATOM 1298 HE21 GLN B 131 31.305 120.992 6.688 1.00 0.00 H ATOM 1299 H GLN B 131 27.394 116.512 5.539 1.00 0.00 H ATOM 1300 N ASP B 132 24.461 117.875 6.497 1.00 31.61 N ATOM 1301 CA ASP B 132 23.027 118.174 6.609 1.00 29.89 C ATOM 1302 C ASP B 132 22.304 117.141 7.417 1.00 28.32 C ATOM 1303 O ASP B 132 21.467 117.494 8.255 1.00 25.33 O ATOM 1304 CB ASP B 132 22.364 118.340 5.247 1.00 32.42 C ATOM 1305 CG ASP B 132 22.831 119.654 4.523 1.00 42.44 C ATOM 1306 OD1 ASP B 132 23.475 120.534 5.149 1.00 45.65 O ATOM 1307 OD2 ASP B 132 22.601 119.819 3.317 1.00 48.39 O ATOM 1308 H ASP B 132 24.860 117.651 5.563 1.00 0.00 H ATOM 1309 N LEU B 133 22.624 115.863 7.207 1.00 25.08 N ATOM 1310 CA LEU B 133 22.001 114.836 8.014 1.00 25.68 C ATOM 1311 C LEU B 133 22.338 115.033 9.484 1.00 26.38 C ATOM 1312 O LEU B 133 21.464 115.010 10.343 1.00 24.04 O ATOM 1313 CB LEU B 133 22.439 113.459 7.536 1.00 25.53 C ATOM 1314 CG LEU B 133 21.777 112.309 8.231 1.00 24.18 C ATOM 1315 CD1 LEU B 133 20.282 112.268 7.966 1.00 32.69 C ATOM 1316 CD2 LEU B 133 22.438 110.976 7.875 1.00 25.42 C ATOM 1317 H LEU B 133 23.314 115.608 6.472 1.00 0.00 H ATOM 1318 N ALA B 134 23.618 115.250 9.791 1.00 24.54 N ATOM 1319 CA ALA B 134 24.048 115.408 11.174 1.00 24.58 C ATOM 1320 C ALA B 134 23.363 116.646 11.819 1.00 23.94 C ATOM 1321 O ALA B 134 22.913 116.565 12.952 1.00 23.89 O ATOM 1322 CB ALA B 134 25.558 115.562 11.257 1.00 24.35 C ATOM 1323 H ALA B 134 24.323 115.308 9.028 1.00 0.00 H ATOM 1324 N ARG B 135 23.322 117.751 11.078 1.00 26.64 N ATOM 1325 CA ARG B 135 22.626 118.945 11.561 1.00 34.25 C ATOM 1326 C ARG B 135 21.154 118.655 11.855 1.00 30.41 C ATOM 1327 O ARG B 135 20.637 119.086 12.869 1.00 31.81 O ATOM 1328 CB ARG B 135 22.772 120.066 10.553 1.00 36.32 C ATOM 1329 CG ARG B 135 22.231 121.429 10.971 1.00 44.34 C ATOM 1330 CD ARG B 135 22.483 122.440 9.857 1.00 51.65 C ATOM 1331 NE ARG B 135 23.929 122.578 9.625 1.00 54.71 N ATOM 1332 CZ ARG B 135 24.625 122.172 8.550 1.00 60.88 C ATOM 1333 NH1 ARG B 135 24.040 121.623 7.482 1.00 64.90 N ATOM 1334 NH2 ARG B 135 25.952 122.368 8.542 1.00 58.28 N ATOM 1335 HE ARG B 135 24.475 123.043 10.379 1.00 0.00 H ATOM 1336 HH12 ARG B 135 24.617 121.322 6.670 1.00 0.00 H ATOM 1337 HH11 ARG B 135 23.008 121.496 7.462 1.00 0.00 H ATOM 1338 HH22 ARG B 135 26.518 122.064 7.724 1.00 0.00 H ATOM 1339 HH21 ARG B 135 26.415 122.824 9.354 1.00 0.00 H ATOM 1340 H ARG B 135 23.788 117.766 10.148 1.00 0.00 H ATOM 1341 N SER B 136 20.502 117.847 11.014 1.00 31.23 N ATOM 1342 CA SER B 136 19.092 117.499 11.271 1.00 31.30 C ATOM 1343 C SER B 136 18.930 116.686 12.540 1.00 32.93 C ATOM 1344 O SER B 136 17.888 116.752 13.199 1.00 31.48 O ATOM 1345 CB SER B 136 18.474 116.774 10.070 1.00 31.28 C ATOM 1346 OG SER B 136 18.818 115.382 10.043 1.00 29.55 O ATOM 1347 HG SER B 136 19.802 115.287 9.987 1.00 0.00 H ATOM 1348 H SER B 136 20.989 117.464 10.179 1.00 0.00 H ATOM 1349 N TYR B 137 19.964 115.925 12.920 1.00 25.25 N ATOM 1350 CA TYR B 137 19.941 115.184 14.149 1.00 23.96 C ATOM 1351 C TYR B 137 20.445 115.941 15.376 1.00 23.56 C ATOM 1352 O TYR B 137 20.331 115.427 16.456 1.00 27.12 O ATOM 1353 CB TYR B 137 20.793 113.917 14.008 1.00 25.30 C ATOM 1354 CG TYR B 137 20.392 112.890 12.985 1.00 24.72 C ATOM 1355 CD1 TYR B 137 19.063 112.711 12.566 1.00 26.77 C ATOM 1356 CD2 TYR B 137 21.346 111.990 12.507 1.00 29.49 C ATOM 1357 CE1 TYR B 137 18.715 111.696 11.689 1.00 26.99 C ATOM 1358 CE2 TYR B 137 21.007 110.987 11.610 1.00 29.05 C ATOM 1359 CZ TYR B 137 19.677 110.850 11.207 1.00 29.63 C ATOM 1360 OH TYR B 137 19.371 109.816 10.354 1.00 27.50 O ATOM 1361 HH TYR B 137 18.402 109.834 10.150 1.00 0.00 H ATOM 1362 H TYR B 137 20.804 115.869 12.310 1.00 0.00 H ATOM 1363 N GLY B 138 21.049 117.084 15.185 1.00 26.52 N ATOM 1364 CA GLY B 138 21.688 117.868 16.240 1.00 28.12 C ATOM 1365 C GLY B 138 22.972 117.244 16.751 1.00 28.68 C ATOM 1366 O GLY B 138 23.273 117.381 17.921 1.00 25.01 O ATOM 1367 H GLY B 138 21.077 117.461 14.216 1.00 0.00 H ATOM 1368 N ILE B 139 23.703 116.540 15.890 1.00 27.28 N ATOM 1369 CA ILE B 139 24.943 115.859 16.309 1.00 23.97 C ATOM 1370 C ILE B 139 26.119 116.250 15.458 1.00 24.51 C ATOM 1371 O ILE B 139 25.961 116.677 14.309 1.00 23.33 O ATOM 1372 CB ILE B 139 24.797 114.303 16.309 1.00 26.19 C ATOM 1373 CG1 ILE B 139 24.737 113.755 14.871 1.00 24.47 C ATOM 1374 CG2 ILE B 139 23.590 113.873 17.156 1.00 27.30 C ATOM 1375 CD1 ILE B 139 24.539 112.264 14.794 1.00 26.74 C ATOM 1376 H ILE B 139 23.393 116.468 14.900 1.00 0.00 H ATOM 1377 N PRO B 140 27.351 116.059 15.977 1.00 24.16 N ATOM 1378 CA PRO B 140 28.520 116.360 15.171 1.00 23.52 C ATOM 1379 C PRO B 140 28.730 115.358 14.028 1.00 22.79 C ATOM 1380 O PRO B 140 28.338 114.217 14.168 1.00 20.55 O ATOM 1381 CB PRO B 140 29.686 116.225 16.160 1.00 26.35 C ATOM 1382 CG PRO B 140 29.080 116.307 17.501 1.00 29.56 C ATOM 1383 CD PRO B 140 27.690 115.721 17.370 1.00 26.64 C ATOM 1384 N PHE B 141 29.362 115.806 12.949 1.00 21.27 N ATOM 1385 CA PHE B 141 29.789 114.952 11.851 1.00 23.72 C ATOM 1386 C PHE B 141 31.318 115.090 11.746 1.00 25.54 C ATOM 1387 O PHE B 141 31.849 116.204 11.770 1.00 24.17 O ATOM 1388 CB PHE B 141 29.199 115.419 10.536 1.00 21.20 C ATOM 1389 CG PHE B 141 29.780 114.754 9.328 1.00 22.88 C ATOM 1390 CD1 PHE B 141 29.764 113.399 9.198 1.00 23.33 C ATOM 1391 CD2 PHE B 141 30.398 115.493 8.342 1.00 24.81 C ATOM 1392 CE1 PHE B 141 30.297 112.752 8.114 1.00 23.57 C ATOM 1393 CE2 PHE B 141 30.948 114.874 7.210 1.00 25.15 C ATOM 1394 CZ PHE B 141 30.904 113.506 7.101 1.00 24.18 C ATOM 1395 H PHE B 141 29.563 116.824 12.885 1.00 0.00 H ATOM 1396 N ILE B 142 31.993 113.970 11.589 1.00 21.86 N ATOM 1397 CA ILE B 142 33.459 113.926 11.438 1.00 24.35 C ATOM 1398 C ILE B 142 33.794 112.954 10.289 1.00 23.26 C ATOM 1399 O ILE B 142 33.306 111.812 10.299 1.00 20.10 O ATOM 1400 CB ILE B 142 34.101 113.475 12.733 1.00 24.80 C ATOM 1401 CG1 ILE B 142 33.651 114.458 13.824 1.00 32.78 C ATOM 1402 CG2 ILE B 142 35.643 113.499 12.606 1.00 29.63 C ATOM 1403 CD1 ILE B 142 34.386 114.458 15.108 1.00 34.12 C ATOM 1404 H ILE B 142 31.466 113.073 11.571 1.00 0.00 H ATOM 1405 N GLU B 143 34.622 113.382 9.354 1.00 22.90 N ATOM 1406 CA GLU B 143 35.194 112.534 8.316 1.00 24.80 C ATOM 1407 C GLU B 143 36.478 111.889 8.821 1.00 22.69 C ATOM 1408 O GLU B 143 37.323 112.546 9.435 1.00 21.59 O ATOM 1409 CB GLU B 143 35.497 113.289 6.994 1.00 30.54 C ATOM 1410 CG GLU B 143 34.202 113.631 6.270 1.00 42.64 C ATOM 1411 CD GLU B 143 34.293 113.842 4.728 1.00 51.21 C ATOM 1412 OE1 GLU B 143 35.417 114.085 4.237 1.00 45.26 O ATOM 1413 OE2 GLU B 143 33.203 113.737 4.042 1.00 49.02 O ATOM 1414 H GLU B 143 34.883 114.389 9.359 1.00 0.00 H ATOM 1415 N THR B 144 36.630 110.589 8.590 1.00 21.25 N ATOM 1416 CA THR B 144 37.727 109.844 9.143 1.00 19.00 C ATOM 1417 C THR B 144 38.338 108.938 8.087 1.00 19.08 C ATOM 1418 O THR B 144 37.686 108.605 7.078 1.00 18.28 O ATOM 1419 CB THR B 144 37.331 108.913 10.342 1.00 20.14 C ATOM 1420 OG1 THR B 144 36.380 107.919 9.916 1.00 16.42 O ATOM 1421 CG2 THR B 144 36.765 109.694 11.488 1.00 21.49 C ATOM 1422 HG1 THR B 144 36.780 107.367 9.198 1.00 0.00 H ATOM 1423 H THR B 144 35.935 110.097 7.992 1.00 0.00 H ATOM 1424 N SER B 145 39.570 108.519 8.371 1.00 18.68 N ATOM 1425 CA SER B 145 40.202 107.429 7.700 1.00 16.46 C ATOM 1426 C SER B 145 40.935 106.590 8.697 1.00 17.63 C ATOM 1427 O SER B 145 41.895 107.055 9.348 1.00 16.37 O ATOM 1428 CB SER B 145 41.178 107.903 6.613 1.00 17.82 C ATOM 1429 OG SER B 145 41.906 106.795 6.092 1.00 19.76 O ATOM 1430 HG SER B 145 41.274 106.142 5.700 1.00 0.00 H ATOM 1431 H SER B 145 40.098 109.011 9.120 1.00 0.00 H ATOM 1432 N ALA B 146 40.497 105.346 8.851 1.00 18.12 N ATOM 1433 CA ALA B 146 41.219 104.416 9.663 1.00 18.64 C ATOM 1434 C ALA B 146 42.613 104.128 9.091 1.00 22.56 C ATOM 1435 O ALA B 146 43.493 103.703 9.804 1.00 21.67 O ATOM 1436 CB ALA B 146 40.428 103.149 9.820 1.00 20.84 C ATOM 1437 H ALA B 146 39.621 105.045 8.377 1.00 0.00 H ATOM 1438 N LYS B 147 42.793 104.325 7.804 1.00 21.92 N ATOM 1439 CA LYS B 147 44.069 104.112 7.147 1.00 25.12 C ATOM 1440 C LYS B 147 45.047 105.189 7.423 1.00 29.30 C ATOM 1441 O LYS B 147 46.143 104.945 7.876 1.00 28.25 O ATOM 1442 CB LYS B 147 43.879 103.920 5.647 1.00 28.37 C ATOM 1443 CG LYS B 147 45.168 103.509 4.964 1.00 33.76 C ATOM 1444 CD LYS B 147 44.970 103.147 3.527 1.00 34.83 C ATOM 1445 CE LYS B 147 46.237 102.485 3.008 1.00 44.67 C ATOM 1446 NZ LYS B 147 46.072 102.400 1.532 1.00 50.71 N ATOM 1447 HZ1 LYS B 147 45.230 101.831 1.311 1.00 0.00 H ATOM 1448 HZ2 LYS B 147 45.958 103.357 1.141 1.00 0.00 H ATOM 1449 HZ3 LYS B 147 46.913 101.952 1.116 1.00 0.00 H ATOM 1450 H LYS B 147 41.986 104.647 7.232 1.00 0.00 H ATOM 1451 N THR B 148 44.662 106.443 7.203 1.00 23.30 N ATOM 1452 CA THR B 148 45.557 107.529 7.429 1.00 25.40 C ATOM 1453 C THR B 148 45.578 107.992 8.870 1.00 28.53 C ATOM 1454 O THR B 148 46.453 108.786 9.234 1.00 26.59 O ATOM 1455 CB THR B 148 45.260 108.748 6.552 1.00 24.28 C ATOM 1456 OG1 THR B 148 44.070 109.409 6.989 1.00 22.69 O ATOM 1457 CG2 THR B 148 45.154 108.358 5.080 1.00 26.71 C ATOM 1458 HG1 THR B 148 43.897 110.193 6.409 1.00 0.00 H ATOM 1459 H THR B 148 43.698 106.633 6.863 1.00 0.00 H ATOM 1460 N ARG B 149 44.536 107.631 9.627 1.00 22.21 N ATOM 1461 CA ARG B 149 44.307 108.121 10.972 1.00 21.12 C ATOM 1462 C ARG B 149 43.651 109.467 11.049 1.00 20.28 C ATOM 1463 O ARG B 149 43.319 109.937 12.146 1.00 22.30 O ATOM 1464 CB ARG B 149 45.609 107.955 11.876 1.00 25.37 C ATOM 1465 CG ARG B 149 45.301 107.689 13.317 1.00 31.43 C ATOM 1466 CD ARG B 149 46.560 107.182 14.084 1.00 35.86 C ATOM 1467 NE ARG B 149 46.168 106.508 15.341 1.00 29.76 N ATOM 1468 CZ ARG B 149 45.764 107.203 16.364 1.00 34.85 C ATOM 1469 NH1 ARG B 149 45.712 108.518 16.286 1.00 30.36 N ATOM 1470 NH2 ARG B 149 45.414 106.626 17.458 1.00 40.88 N ATOM 1471 HE ARG B 149 46.216 105.471 15.408 1.00 0.00 H ATOM 1472 HH12 ARG B 149 45.389 109.075 17.103 1.00 0.00 H ATOM 1473 HH11 ARG B 149 45.994 108.998 15.408 1.00 0.00 H ATOM 1474 HH22 ARG B 149 45.093 107.196 18.267 1.00 0.00 H ATOM 1475 HH21 ARG B 149 45.451 105.589 17.534 1.00 0.00 H ATOM 1476 H ARG B 149 43.850 106.959 9.227 1.00 0.00 H ATOM 1477 N GLN B 150 43.341 110.106 9.906 1.00 18.60 N ATOM 1478 CA GLN B 150 42.619 111.355 9.932 1.00 21.50 C ATOM 1479 C GLN B 150 41.298 111.202 10.718 1.00 23.38 C ATOM 1480 O GLN B 150 40.527 110.265 10.487 1.00 18.64 O ATOM 1481 CB GLN B 150 42.285 111.866 8.526 1.00 20.99 C ATOM 1482 CG GLN B 150 41.399 113.094 8.476 1.00 25.04 C ATOM 1483 CD GLN B 150 40.986 113.497 7.028 1.00 28.21 C ATOM 1484 OE1 GLN B 150 41.662 113.140 6.084 1.00 28.55 O ATOM 1485 NE2 GLN B 150 39.874 114.214 6.896 1.00 29.83 N ATOM 1486 HE22 GLN B 150 39.332 114.493 7.739 1.00 0.00 H ATOM 1487 HE21 GLN B 150 39.546 114.495 5.950 1.00 0.00 H ATOM 1488 H GLN B 150 43.625 109.695 8.994 1.00 0.00 H ATOM 1489 N GLY B 151 41.074 112.134 11.672 1.00 21.30 N ATOM 1490 CA GLY B 151 39.840 112.198 12.393 1.00 21.66 C ATOM 1491 C GLY B 151 39.558 111.107 13.423 1.00 18.93 C ATOM 1492 O GLY B 151 38.526 111.166 14.071 1.00 20.78 O ATOM 1493 H GLY B 151 41.821 112.825 11.888 1.00 0.00 H ATOM 1494 N VAL B 152 40.445 110.137 13.596 1.00 20.38 N ATOM 1495 CA VAL B 152 40.156 108.991 14.442 1.00 20.29 C ATOM 1496 C VAL B 152 40.059 109.394 15.914 1.00 23.14 C ATOM 1497 O VAL B 152 39.047 109.132 16.568 1.00 18.59 O ATOM 1498 CB VAL B 152 41.162 107.864 14.271 1.00 21.09 C ATOM 1499 CG1 VAL B 152 40.973 106.751 15.266 1.00 20.08 C ATOM 1500 CG2 VAL B 152 41.090 107.296 12.885 1.00 21.15 C ATOM 1501 H VAL B 152 41.366 110.197 13.117 1.00 0.00 H ATOM 1502 N ASP B 153 41.083 110.071 16.427 1.00 20.84 N ATOM 1503 CA ASP B 153 41.031 110.551 17.787 1.00 22.18 C ATOM 1504 C ASP B 153 39.850 111.526 17.931 1.00 18.64 C ATOM 1505 O ASP B 153 39.121 111.430 18.896 1.00 21.56 O ATOM 1506 CB ASP B 153 42.313 111.271 18.223 1.00 26.24 C ATOM 1507 CG ASP B 153 43.530 110.306 18.328 1.00 31.69 C ATOM 1508 OD1 ASP B 153 43.405 109.177 18.824 1.00 32.56 O ATOM 1509 OD2 ASP B 153 44.619 110.663 17.872 1.00 43.26 O ATOM 1510 H ASP B 153 41.925 110.255 15.845 1.00 0.00 H ATOM 1511 N ASP B 154 39.664 112.413 16.984 1.00 18.11 N ATOM 1512 CA ASP B 154 38.633 113.416 17.020 1.00 21.39 C ATOM 1513 C ASP B 154 37.244 112.765 17.178 1.00 20.29 C ATOM 1514 O ASP B 154 36.419 113.240 17.966 1.00 19.37 O ATOM 1515 CB ASP B 154 38.685 114.291 15.738 1.00 20.20 C ATOM 1516 CG ASP B 154 37.901 115.576 15.837 1.00 23.88 C ATOM 1517 OD1 ASP B 154 37.310 115.907 16.846 1.00 26.25 O ATOM 1518 OD2 ASP B 154 37.932 116.327 14.781 1.00 22.24 O ATOM 1519 H ASP B 154 40.298 112.391 16.160 1.00 0.00 H ATOM 1520 N ALA B 155 36.990 111.700 16.426 1.00 20.63 N ATOM 1521 CA ALA B 155 35.674 111.046 16.485 1.00 19.62 C ATOM 1522 C ALA B 155 35.367 110.541 17.903 1.00 17.91 C ATOM 1523 O ALA B 155 34.296 110.818 18.455 1.00 17.94 O ATOM 1524 CB ALA B 155 35.600 109.899 15.485 1.00 20.54 C ATOM 1525 H ALA B 155 37.725 111.327 15.792 1.00 0.00 H ATOM 1526 N PHE B 156 36.329 109.827 18.504 1.00 18.59 N ATOM 1527 CA PHE B 156 36.150 109.295 19.834 1.00 17.98 C ATOM 1528 C PHE B 156 36.106 110.400 20.894 1.00 18.39 C ATOM 1529 O PHE B 156 35.259 110.375 21.818 1.00 19.62 O ATOM 1530 CB PHE B 156 37.172 108.225 20.154 1.00 18.97 C ATOM 1531 CG PHE B 156 36.952 106.943 19.432 1.00 19.49 C ATOM 1532 CD1 PHE B 156 36.134 105.962 19.968 1.00 17.22 C ATOM 1533 CD2 PHE B 156 37.583 106.700 18.229 1.00 20.15 C ATOM 1534 CE1 PHE B 156 35.959 104.743 19.295 1.00 20.19 C ATOM 1535 CE2 PHE B 156 37.422 105.490 17.566 1.00 20.50 C ATOM 1536 CZ PHE B 156 36.594 104.546 18.090 1.00 20.25 C ATOM 1537 H PHE B 156 37.223 109.653 18.002 1.00 0.00 H ATOM 1538 N TYR B 157 36.999 111.371 20.778 1.00 18.79 N ATOM 1539 CA TYR B 157 37.021 112.454 21.763 1.00 20.76 C ATOM 1540 C TYR B 157 35.778 113.311 21.709 1.00 22.40 C ATOM 1541 O TYR B 157 35.251 113.721 22.731 1.00 19.26 O ATOM 1542 CB TYR B 157 38.234 113.344 21.558 1.00 22.12 C ATOM 1543 CG TYR B 157 39.577 112.724 21.848 1.00 24.69 C ATOM 1544 CD1 TYR B 157 39.743 111.367 22.130 1.00 24.19 C ATOM 1545 CD2 TYR B 157 40.715 113.511 21.798 1.00 32.02 C ATOM 1546 CE1 TYR B 157 41.018 110.811 22.334 1.00 30.40 C ATOM 1547 CE2 TYR B 157 41.992 112.968 22.037 1.00 37.62 C ATOM 1548 CZ TYR B 157 42.122 111.623 22.299 1.00 31.08 C ATOM 1549 OH TYR B 157 43.382 111.139 22.487 1.00 40.53 O ATOM 1550 HH TYR B 157 43.799 111.599 23.258 1.00 0.00 H ATOM 1551 H TYR B 157 37.680 111.364 19.992 1.00 0.00 H ATOM 1552 N THR B 158 35.321 113.603 20.495 1.00 19.49 N ATOM 1553 CA THR B 158 34.072 114.351 20.297 1.00 19.50 C ATOM 1554 C THR B 158 32.900 113.605 20.947 1.00 19.09 C ATOM 1555 O THR B 158 32.075 114.221 21.593 1.00 20.03 O ATOM 1556 CB THR B 158 33.841 114.660 18.821 1.00 20.30 C ATOM 1557 OG1 THR B 158 34.874 115.489 18.353 1.00 20.20 O ATOM 1558 CG2 THR B 158 32.521 115.328 18.555 1.00 21.72 C ATOM 1559 HG1 THR B 158 35.742 115.027 18.463 1.00 0.00 H ATOM 1560 H THR B 158 35.862 113.293 19.663 1.00 0.00 H ATOM 1561 N LEU B 159 32.853 112.289 20.812 1.00 17.80 N ATOM 1562 CA LEU B 159 31.790 111.514 21.414 1.00 18.47 C ATOM 1563 C LEU B 159 31.813 111.641 22.944 1.00 21.62 C ATOM 1564 O LEU B 159 30.757 111.891 23.588 1.00 22.90 O ATOM 1565 CB LEU B 159 31.836 110.050 21.030 1.00 17.30 C ATOM 1566 CG LEU B 159 30.725 109.172 21.593 1.00 20.76 C ATOM 1567 CD1 LEU B 159 29.377 109.740 21.217 1.00 20.73 C ATOM 1568 CD2 LEU B 159 30.848 107.742 21.089 1.00 20.94 C ATOM 1569 H LEU B 159 33.592 111.804 20.264 1.00 0.00 H ATOM 1570 N VAL B 160 33.007 111.539 23.521 1.00 21.75 N ATOM 1571 CA VAL B 160 33.144 111.793 24.960 1.00 20.53 C ATOM 1572 C VAL B 160 32.663 113.182 25.345 1.00 18.13 C ATOM 1573 O VAL B 160 31.927 113.302 26.344 1.00 21.18 O ATOM 1574 CB VAL B 160 34.600 111.540 25.447 1.00 20.80 C ATOM 1575 CG1 VAL B 160 34.753 111.999 26.902 1.00 21.18 C ATOM 1576 CG2 VAL B 160 34.935 110.090 25.345 1.00 19.64 C ATOM 1577 H VAL B 160 33.840 111.280 22.955 1.00 0.00 H ATOM 1578 N ARG B 161 33.016 114.207 24.607 1.00 18.93 N ATOM 1579 CA ARG B 161 32.534 115.548 24.871 1.00 24.26 C ATOM 1580 C ARG B 161 30.984 115.644 24.794 1.00 30.04 C ATOM 1581 O ARG B 161 30.375 116.322 25.613 1.00 24.81 O ATOM 1582 CB ARG B 161 33.136 116.611 23.953 1.00 25.17 C ATOM 1583 CG ARG B 161 34.636 116.784 24.172 1.00 28.88 C ATOM 1584 CD ARG B 161 35.185 117.983 23.387 1.00 26.33 C ATOM 1585 NE ARG B 161 36.640 117.972 23.501 1.00 27.79 N ATOM 1586 CZ ARG B 161 37.481 117.499 22.582 1.00 28.84 C ATOM 1587 NH1 ARG B 161 37.049 117.113 21.391 1.00 25.55 N ATOM 1588 NH2 ARG B 161 38.771 117.503 22.840 1.00 30.07 N ATOM 1589 HE ARG B 161 37.054 118.365 24.370 1.00 0.00 H ATOM 1590 HH12 ARG B 161 37.722 116.747 20.688 1.00 0.00 H ATOM 1591 HH11 ARG B 161 36.037 117.176 21.159 1.00 0.00 H ATOM 1592 HH22 ARG B 161 39.443 117.138 22.135 1.00 0.00 H ATOM 1593 HH21 ARG B 161 39.118 117.871 23.748 1.00 0.00 H ATOM 1594 H ARG B 161 33.662 114.053 23.807 1.00 0.00 H ATOM 1595 N GLU B 162 30.382 114.928 23.843 1.00 24.96 N ATOM 1596 CA GLU B 162 28.916 114.852 23.750 1.00 25.92 C ATOM 1597 C GLU B 162 28.308 114.179 24.987 1.00 25.67 C ATOM 1598 O GLU B 162 27.287 114.668 25.533 1.00 27.25 O ATOM 1599 CB GLU B 162 28.471 114.124 22.467 1.00 25.36 C ATOM 1600 CG GLU B 162 28.802 114.903 21.199 1.00 27.18 C ATOM 1601 CD GLU B 162 28.077 116.212 21.090 1.00 32.24 C ATOM 1602 OE1 GLU B 162 26.831 116.194 21.038 1.00 32.04 O ATOM 1603 OE2 GLU B 162 28.759 117.261 21.054 1.00 34.24 O ATOM 1604 H GLU B 162 30.962 114.412 23.152 1.00 0.00 H ATOM 1605 N ILE B 163 28.902 113.089 25.455 1.00 22.14 N ATOM 1606 CA ILE B 163 28.421 112.418 26.660 1.00 24.15 C ATOM 1607 C ILE B 163 28.497 113.362 27.852 1.00 27.41 C ATOM 1608 O ILE B 163 27.527 113.471 28.642 1.00 28.41 O ATOM 1609 CB ILE B 163 29.188 111.138 26.960 1.00 23.12 C ATOM 1610 CG1 ILE B 163 28.924 110.133 25.854 1.00 24.08 C ATOM 1611 CG2 ILE B 163 28.740 110.539 28.276 1.00 24.94 C ATOM 1612 CD1 ILE B 163 29.867 108.988 25.812 1.00 23.85 C ATOM 1613 H ILE B 163 29.728 112.704 24.953 1.00 0.00 H ATOM 1614 N ARG B 164 29.616 114.046 27.989 1.00 27.37 N ATOM 1615 CA ARG B 164 29.779 115.026 29.097 1.00 33.32 C ATOM 1616 C ARG B 164 28.743 116.113 29.093 1.00 33.64 C ATOM 1617 O ARG B 164 28.243 116.444 30.155 1.00 37.72 O ATOM 1618 CB ARG B 164 31.131 115.727 29.048 1.00 33.02 C ATOM 1619 CG ARG B 164 32.192 114.828 29.512 1.00 35.88 C ATOM 1620 CD ARG B 164 33.546 115.529 29.365 1.00 37.08 C ATOM 1621 NE ARG B 164 34.599 114.610 29.738 1.00 39.30 N ATOM 1622 CZ ARG B 164 35.900 114.775 29.478 1.00 36.90 C ATOM 1623 NH1 ARG B 164 36.342 115.804 28.800 1.00 35.52 N ATOM 1624 NH2 ARG B 164 36.746 113.841 29.899 1.00 42.73 N ATOM 1625 HE ARG B 164 34.321 113.749 30.251 1.00 0.00 H ATOM 1626 HH12 ARG B 164 37.360 115.905 28.613 1.00 0.00 H ATOM 1627 HH11 ARG B 164 35.675 116.520 28.448 1.00 0.00 H ATOM 1628 HH22 ARG B 164 37.764 113.940 29.713 1.00 0.00 H ATOM 1629 HH21 ARG B 164 36.390 113.011 30.415 1.00 0.00 H ATOM 1630 H ARG B 164 30.394 113.899 27.315 1.00 0.00 H ATOM 1631 N LYS B 165 28.461 116.690 27.925 1.00 33.41 N ATOM 1632 CA LYS B 165 27.433 117.706 27.797 1.00 37.90 C ATOM 1633 C LYS B 165 26.053 117.195 28.236 1.00 40.08 C ATOM 1634 O LYS B 165 25.323 117.908 28.901 1.00 42.05 O ATOM 1635 CB LYS B 165 27.351 118.248 26.391 1.00 37.79 C ATOM 1636 CG LYS B 165 28.466 119.199 26.066 1.00 48.07 C ATOM 1637 CD LYS B 165 28.228 119.934 24.752 1.00 51.71 C ATOM 1638 CE LYS B 165 28.594 119.054 23.586 1.00 55.16 C ATOM 1639 NZ LYS B 165 28.193 119.686 22.296 1.00 61.99 N ATOM 1640 HZ1 LYS B 165 27.164 119.838 22.291 1.00 0.00 H ATOM 1641 HZ2 LYS B 165 28.680 120.599 22.192 1.00 0.00 H ATOM 1642 HZ3 LYS B 165 28.456 119.060 21.508 1.00 0.00 H ATOM 1643 H LYS B 165 28.994 116.403 27.079 1.00 0.00 H ATOM 1644 N HIS B 166 25.741 115.959 27.868 1.00 36.98 N ATOM 1645 CA HIS B 166 24.508 115.303 28.216 1.00 39.51 C ATOM 1646 C HIS B 166 24.391 115.005 29.725 1.00 42.91 C ATOM 1647 O HIS B 166 23.304 115.099 30.267 1.00 42.19 O ATOM 1648 CB HIS B 166 24.406 114.016 27.401 1.00 37.41 C ATOM 1649 CG HIS B 166 23.181 113.216 27.645 1.00 42.44 C ATOM 1650 ND1 HIS B 166 21.989 113.495 27.020 1.00 48.01 N ATOM 1651 CD2 HIS B 166 22.974 112.106 28.382 1.00 39.11 C ATOM 1652 CE1 HIS B 166 21.076 112.617 27.396 1.00 46.46 C ATOM 1653 NE2 HIS B 166 21.644 111.772 28.239 1.00 46.28 N ATOM 1654 H HIS B 166 26.429 115.432 27.293 1.00 0.00 H ATOM 1655 N LYS B 167 25.491 114.626 30.379 1.00 41.83 N ATOM 1656 CA LYS B 167 25.493 114.291 31.816 1.00 46.45 C ATOM 1657 C LYS B 167 25.348 115.532 32.678 1.00 44.33 C ATOM 1658 O LYS B 167 24.853 115.444 33.781 1.00 48.04 O ATOM 1659 CB LYS B 167 26.775 113.535 32.230 1.00 45.15 C ATOM 1660 CG LYS B 167 26.771 112.075 31.810 1.00 50.60 C ATOM 1661 CD LYS B 167 28.166 111.452 31.916 1.00 50.98 C ATOM 1662 CE LYS B 167 28.402 110.881 33.293 1.00 55.33 C ATOM 1663 NZ LYS B 167 29.879 110.649 33.496 1.00 56.16 N ATOM 1664 HZ1 LYS B 167 30.225 109.980 32.779 1.00 0.00 H ATOM 1665 HZ2 LYS B 167 30.386 111.552 33.403 1.00 0.00 H ATOM 1666 HZ3 LYS B 167 30.040 110.256 34.445 1.00 0.00 H ATOM 1667 H LYS B 167 26.386 114.564 29.853 1.00 0.00 H ATOM 1668 N GLU B 168 25.821 116.656 32.173 1.00 46.53 N ATOM 1669 CA GLU B 168 25.585 117.928 32.831 1.00 56.81 C ATOM 1670 C GLU B 168 24.220 118.389 32.447 1.00 54.95 C ATOM 1671 O GLU B 168 23.942 119.579 32.558 1.00 68.52 O ATOM 1672 CB GLU B 168 26.755 118.904 32.548 1.00 57.40 C ATOM 1673 CG GLU B 168 28.053 118.410 33.222 1.00 63.37 C ATOM 1674 CD GLU B 168 29.333 118.734 32.428 1.00 80.30 C ATOM 1675 OE1 GLU B 168 29.275 119.632 31.544 1.00 76.68 O ATOM 1676 OE2 GLU B 168 30.362 118.065 32.684 1.00 80.55 O ATOM 1677 H GLU B 168 26.371 116.630 31.291 1.00 0.00 H TER 1678 GLU B 168 HETATM 1679 MG MG A 1 34.244 94.786 12.596 1.00 18.67 MG HETATM 1680 O HOH 2 24.138 98.499 4.240 1.00 36.08 O HETATM 1681 O HOH 3 29.610 112.492 -4.163 1.00 46.67 O HETATM 1682 O HOH 4 12.842 109.310 12.888 1.00 36.27 O HETATM 1683 O HOH 5 50.236 107.594 14.797 1.00 41.54 O HETATM 1684 O HOH 6 37.388 94.283 16.715 1.00 32.55 O HETATM 1685 O HOH 7 30.527 92.479 7.414 1.00 24.67 O HETATM 1686 O HOH 8 24.112 97.855 15.879 1.00 32.19 O HETATM 1687 O HOH 9 46.656 110.058 19.213 1.00 49.90 O HETATM 1688 O HOH 10 31.252 117.608 20.946 1.00 39.96 O HETATM 1689 O HOH 11 38.103 114.954 9.298 1.00 33.27 O HETATM 1690 O HOH 12 43.562 111.396 5.445 1.00 36.95 O HETATM 1691 O HOH 13 36.062 112.817 32.183 1.00 48.24 O HETATM 1692 O HOH 14 33.010 95.752 14.002 1.00 19.21 O HETATM 1693 O HOH 15 36.904 108.988 -7.985 1.00 31.19 O HETATM 1694 O HOH 16 44.216 104.835 0.559 1.00 36.41 O HETATM 1695 O HOH 17 46.016 102.394 23.329 1.00 37.18 O HETATM 1696 O HOH 18 43.492 110.672 14.661 1.00 26.60 O HETATM 1697 O HOH 19 40.125 116.049 13.353 1.00 36.49 O HETATM 1698 O HOH 20 21.087 112.397 19.551 1.00 37.28 O HETATM 1699 O HOH 21 25.440 114.084 20.212 1.00 26.01 O HETATM 1700 O HOH 22 41.558 93.187 17.956 1.00 45.95 O HETATM 1701 O HOH 23 46.412 107.961 29.927 1.00 63.37 O HETATM 1702 O HOH 24 35.666 93.786 11.363 1.00 18.82 O HETATM 1703 O HOH 25 25.891 119.138 13.267 1.00 40.01 O HETATM 1704 O HOH 26 38.777 93.693 9.797 1.00 18.72 O HETATM 1705 O HOH 27 35.909 117.610 13.521 1.00 36.07 O HETATM 1706 O HOH 28 10.830 102.841 23.266 1.00 39.29 O HETATM 1707 O HOH 29 45.347 112.812 16.388 1.00 42.29 O HETATM 1708 O HOH 30 42.892 99.632 11.793 1.00 18.06 O HETATM 1709 O HOH 31 30.090 91.500 11.288 1.00 24.59 O HETATM 1710 O HOH 32 34.014 103.760 42.197 1.00 47.37 O HETATM 1711 O HOH 33 33.240 100.711 1.806 1.00 21.83 O HETATM 1712 O HOH 34 41.905 97.862 3.086 1.00 26.54 O HETATM 1713 O HOH 35 47.125 95.637 7.915 1.00 38.86 O HETATM 1714 O HOH 36 46.350 111.272 33.003 1.00 42.75 O HETATM 1715 O HOH 37 38.591 115.989 19.435 1.00 27.21 O HETATM 1716 O HOH 38 27.343 96.647 4.297 1.00 34.25 O HETATM 1717 O HOH 39 23.851 108.447 27.393 1.00 41.23 O HETATM 1718 O HOH 40 16.761 101.866 28.184 1.00 49.61 O HETATM 1719 O HOH 41 16.876 108.213 13.392 1.00 36.62 O HETATM 1720 O HOH 42 16.579 113.809 9.887 1.00 45.43 O HETATM 1721 O HOH 43 19.857 119.695 7.959 1.00 41.14 O HETATM 1722 O HOH 44 36.571 91.570 13.955 1.00 41.56 O HETATM 1723 O HOH 45 26.339 102.399 8.317 1.00 19.45 O HETATM 1724 O HOH 46 16.577 110.658 14.201 1.00 30.56 O HETATM 1725 O HOH 47 27.319 89.402 17.039 1.00 50.74 O HETATM 1726 O HOH 48 25.510 101.457 -1.748 1.00 40.47 O HETATM 1727 O HOH 49 34.765 117.866 19.847 1.00 33.19 O HETATM 1728 O HOH 50 26.367 97.764 14.294 1.00 21.70 O HETATM 1729 O HOH 51 45.342 103.035 27.883 1.00 38.17 O HETATM 1730 O HOH 52 34.418 89.225 17.140 1.00 34.16 O HETATM 1731 O HOH 53 36.118 87.290 11.266 1.00 53.48 O HETATM 1732 O HOH 54 34.821 117.905 27.702 1.00 40.88 O HETATM 1733 O HOH 55 25.389 95.268 7.353 1.00 38.61 O HETATM 1734 O HOH 56 26.783 119.120 10.575 1.00 44.59 O HETATM 1735 O HOH 57 41.254 117.705 24.616 1.00 35.78 O HETATM 1736 O HOH 58 30.691 92.803 3.077 1.00 40.35 O HETATM 1737 O HOH 59 39.937 90.957 3.588 1.00 36.33 O HETATM 1738 O HOH 60 21.255 114.763 3.801 1.00 43.97 O HETATM 1739 O HOH 61 30.401 104.580 32.629 1.00 44.37 O HETATM 1740 O HOH 62 31.962 118.397 26.843 1.00 37.67 O HETATM 1741 O HOH 63 48.574 104.837 12.016 1.00 40.98 O HETATM 1742 O HOH 64 43.329 113.944 12.038 1.00 29.20 O HETATM 1743 O HOH 65 30.023 118.656 13.066 1.00 39.95 O HETATM 1744 O HOH 66 38.659 96.906 1.908 1.00 35.50 O HETATM 1745 O HOH 67 41.759 113.018 15.010 1.00 29.28 O HETATM 1746 O HOH 68 41.575 100.027 1.091 1.00 39.22 O HETATM 1747 O HOH 69 36.182 100.170 -0.012 1.00 29.28 O HETATM 1748 O HOH 70 44.955 111.527 25.420 1.00 49.29 O HETATM 1749 O HOH 71 43.609 117.585 27.459 1.00 33.94 O HETATM 1750 O HOH 72 27.786 103.435 -3.220 1.00 34.65 O HETATM 1751 O HOH 73 34.672 97.086 2.608 1.00 38.85 O HETATM 1752 O HOH 74 16.571 111.431 8.325 1.00 41.01 O HETATM 1753 O HOH 75 35.648 116.218 9.401 1.00 38.47 O HETATM 1754 O HOH 76 15.261 93.622 25.173 1.00 60.85 O HETATM 1755 O HOH 77 37.979 99.387 2.084 1.00 29.49 O HETATM 1756 O HOH 78 34.654 117.539 11.230 1.00 43.58 O HETATM 1757 O HOH 79 32.091 116.000 -1.007 1.00 39.17 O HETATM 1758 O HOH 80 26.234 98.596 2.970 1.00 36.57 O HETATM 1759 O HOH 81 24.093 125.309 4.769 1.00 72.74 O HETATM 1760 O HOH 82 44.908 93.419 15.257 1.00 58.37 O HETATM 1761 O HOH 83 21.654 97.356 14.827 1.00 41.96 O HETATM 1762 O HOH 84 27.388 92.616 7.826 1.00 42.21 O HETATM 1763 O HOH 85 23.148 114.854 20.748 1.00 37.48 O HETATM 1764 O HOH 86 19.139 115.031 5.651 1.00 54.35 O HETATM 1765 O HOH 87 35.668 112.370 41.530 1.00 57.92 O HETATM 1766 O HOH 88 13.918 111.166 8.023 1.00 41.19 O HETATM 1767 O HOH 89 39.697 93.244 12.248 1.00 35.05 O HETATM 1768 O HOH 90 40.480 99.593 -1.017 1.00 47.19 O HETATM 1769 O20 D A 1 26.736 92.592 29.461 1.00 -0.40 O HETATM 1770 C19 D A 1 27.298 92.295 28.413 1.00 0.18 C HETATM 1771 C21 D A 1 26.819 91.114 27.567 1.00 0.05 C HETATM 1772 C39 D A 1 26.996 89.761 28.282 1.00 -0.01 C HETATM 1773 C38 D A 1 26.437 88.587 27.459 1.00 0.05 C HETATM 1774 O37 D A 1 25.082 88.814 27.033 1.00 -0.38 O HETATM 1775 C36 D A 1 24.881 90.044 26.315 1.00 0.05 C HETATM 1776 C35 D A 1 25.344 91.242 27.160 1.00 -0.01 C HETATM 1777 H8 D A 1 25.215 92.163 26.573 1.00 0.03 H HETATM 1778 H9 D A 1 24.727 91.297 28.069 1.00 0.03 H HETATM 1779 H6 D A 1 23.812 90.157 26.082 1.00 0.06 H HETATM 1780 H7 D A 1 25.459 90.016 25.380 1.00 0.06 H HETATM 1781 H4 D A 1 26.466 87.677 28.076 1.00 0.06 H HETATM 1782 H5 D A 1 27.068 88.447 26.569 1.00 0.06 H HETATM 1783 H2 D A 1 26.469 89.799 29.247 1.00 0.03 H HETATM 1784 H3 D A 1 28.069 89.591 28.457 1.00 0.03 H HETATM 1785 H1 D A 1 27.428 91.100 26.651 1.00 0.05 H HETATM 1786 N18 D A 1 28.295 92.956 27.970 1.00 -0.28 N HETATM 1787 C17 D A 1 28.998 94.105 28.532 1.00 0.06 C HETATM 1788 C15 D A 1 28.666 95.458 27.849 1.00 0.13 C HETATM 1789 C14 D A 1 27.547 95.566 26.774 1.00 0.10 C HETATM 1790 O13 D A 1 27.506 96.963 26.311 1.00 -0.32 O HETATM 1791 C12 D A 1 28.629 97.838 26.302 1.00 0.12 C HETATM 1792 C10 D A 1 28.600 99.165 25.819 1.00 -0.04 C HETATM 1793 C9 D A 1 29.778 99.984 25.787 1.00 -0.08 C HETATM 1794 C8 D A 1 30.980 99.455 26.262 1.00 -0.07 C HETATM 1795 C7 D A 1 31.033 98.133 26.790 1.00 0.01 C HETATM 1796 C11 D A 1 29.860 97.330 26.774 1.00 0.13 C HETATM 1797 O16 D A 1 29.863 95.997 27.243 1.00 -0.31 O HETATM 1798 C3 D A 1 32.323 97.509 27.298 1.00 0.02 C HETATM 1799 N2 D A 1 32.334 96.707 28.420 1.00 -0.29 N HETATM 1800 C1 D A 1 33.491 96.119 28.891 1.00 0.19 C HETATM 1801 C6 D A 1 34.767 96.269 28.273 1.00 0.12 C HETATM 1802 C5 D A 1 34.761 97.118 27.119 1.00 -0.03 C HETATM 1803 C4 D A 1 33.559 97.692 26.628 1.00 -0.05 C HETATM 1804 H19 D A 1 33.587 98.284 25.720 1.00 0.06 H HETATM 1805 H20 D A 1 35.695 97.327 26.610 1.00 0.06 H HETATM 1806 N24 D A 1 35.827 95.546 28.856 1.00 -0.27 N HETATM 1807 C25 D A 1 37.154 95.316 28.519 1.00 0.05 C HETATM 1808 C30 D A 1 37.762 95.695 27.324 1.00 -0.05 C HETATM 1809 C29 D A 1 39.120 95.488 27.082 1.00 -0.08 C HETATM 1810 C28 D A 1 39.939 94.905 28.020 1.00 -0.07 C HETATM 1811 C27 D A 1 39.391 94.485 29.229 1.00 -0.01 C HETATM 1812 C26 D A 1 38.010 94.696 29.472 1.00 -0.03 C HETATM 1813 H28 D A 1 37.591 94.373 30.418 1.00 0.05 H HETATM 1814 C31 D A 1 40.329 93.844 30.250 1.00 -0.00 C HETATM 1815 N32 D A 1 40.758 92.443 29.963 1.00 0.24 N HETATM 1816 C34 D A 1 41.747 92.036 30.976 1.00 -0.04 C HETATM 1817 H32 D A 1 42.072 91.004 30.777 1.00 0.08 H HETATM 1818 H33 D A 1 41.291 92.090 31.976 1.00 0.08 H HETATM 1819 H34 D A 1 42.616 92.710 30.932 1.00 0.08 H HETATM 1820 C33 D A 1 41.356 92.196 28.626 1.00 -0.04 C HETATM 1821 H35 D A 1 40.640 92.490 27.844 1.00 0.08 H HETATM 1822 H36 D A 1 41.593 91.127 28.522 1.00 0.08 H HETATM 1823 H37 D A 1 42.277 92.788 28.521 1.00 0.08 H HETATM 1824 H31 D A 1 39.942 91.856 30.044 1.00 0.20 H HETATM 1825 H29 D A 1 39.817 93.845 31.223 1.00 0.10 H HETATM 1826 H30 D A 1 41.234 94.466 30.311 1.00 0.10 H HETATM 1827 H27 D A 1 40.996 94.774 27.821 1.00 0.05 H HETATM 1828 H26 D A 1 39.540 95.794 26.131 1.00 0.06 H HETATM 1829 H25 D A 1 37.159 96.167 26.556 1.00 0.05 H HETATM 1830 H24 D A 1 35.554 95.081 29.734 1.00 0.21 H HETATM 1831 O22 D A 1 33.372 95.298 29.979 1.00 -0.31 O HETATM 1832 C23 D A 1 33.096 93.913 29.693 1.00 0.06 C HETATM 1833 H21 D A 1 33.022 93.352 30.636 1.00 0.06 H HETATM 1834 H22 D A 1 33.909 93.496 29.081 1.00 0.06 H HETATM 1835 H23 D A 1 32.146 93.834 29.144 1.00 0.06 H HETATM 1836 H18 D A 1 31.881 100.056 26.229 1.00 0.05 H HETATM 1837 H17 D A 1 29.735 100.996 25.401 1.00 0.05 H HETATM 1838 H16 D A 1 27.662 99.576 25.463 1.00 0.05 H HETATM 1839 H14 D A 1 26.577 95.288 27.213 1.00 0.06 H HETATM 1840 H15 D A 1 27.772 94.898 25.930 1.00 0.06 H HETATM 1841 H13 D A 1 28.362 96.128 28.667 1.00 0.07 H HETATM 1842 H11 D A 1 30.079 93.927 28.436 1.00 0.06 H HETATM 1843 H12 D A 1 28.733 94.183 29.597 1.00 0.06 H HETATM 1844 H10 D A 1 28.654 92.634 27.094 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 178 177 179 1679 CONECT 352 351 354 1679 CONECT 506 499 507 514 CONECT 507 506 508 510 CONECT 508 507 509 515 CONECT 509 508 CONECT 510 507 511 CONECT 511 510 512 CONECT 512 511 513 CONECT 513 512 CONECT 514 506 CONECT 1679 178 352 CONECT 1769 1770 CONECT 1770 1769 1771 1786 CONECT 1771 1770 1772 1776 1785 CONECT 1772 1771 1773 1783 1784 CONECT 1773 1772 1774 1781 1782 CONECT 1774 1773 1775 CONECT 1775 1774 1776 1779 1780 CONECT 1776 1771 1775 1777 1778 CONECT 1777 1776 CONECT 1778 1776 CONECT 1779 1775 CONECT 1780 1775 CONECT 1781 1773 CONECT 1782 1773 CONECT 1783 1772 CONECT 1784 1772 CONECT 1785 1771 CONECT 1786 1770 1787 1844 CONECT 1787 1786 1788 1842 1843 CONECT 1788 1787 1789 1797 1841 CONECT 1789 1788 1790 1839 1840 CONECT 1790 1789 1791 CONECT 1791 1790 1792 1796 CONECT 1792 1791 1793 1838 CONECT 1793 1792 1794 1837 CONECT 1794 1793 1795 1836 CONECT 1795 1794 1796 1798 CONECT 1796 1791 1795 1797 CONECT 1797 1788 1796 CONECT 1798 1795 1799 1803 CONECT 1799 1798 1800 CONECT 1800 1799 1801 1831 CONECT 1801 1800 1802 1806 CONECT 1802 1801 1803 1805 CONECT 1803 1798 1802 1804 CONECT 1804 1803 CONECT 1805 1802 CONECT 1806 1801 1807 1830 CONECT 1807 1806 1808 1812 CONECT 1808 1807 1809 1829 CONECT 1809 1808 1810 1828 CONECT 1810 1809 1811 1827 CONECT 1811 1810 1812 1814 CONECT 1812 1807 1811 1813 CONECT 1813 1812 CONECT 1814 1811 1815 1825 1826 CONECT 1815 1814 1816 1820 1824 CONECT 1816 1815 1817 1818 1819 CONECT 1817 1816 CONECT 1818 1816 CONECT 1819 1816 CONECT 1820 1815 1821 1822 1823 CONECT 1821 1820 CONECT 1822 1820 CONECT 1823 1820 CONECT 1824 1815 CONECT 1825 1814 CONECT 1826 1814 CONECT 1827 1810 CONECT 1828 1809 CONECT 1829 1808 CONECT 1830 1806 CONECT 1831 1800 1832 CONECT 1832 1831 1833 1834 1835 CONECT 1833 1832 CONECT 1834 1832 CONECT 1835 1832 CONECT 1836 1794 CONECT 1837 1793 CONECT 1838 1792 CONECT 1839 1789 CONECT 1840 1789 CONECT 1841 1788 CONECT 1842 1787 CONECT 1843 1787 CONECT 1844 1786 MASTER 0 0 0 0 0 0 0 0 1843 1 92 14 END
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Structure:
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Related entries of code: 6fa3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1clu
RCSB PDB
PDBbind
166aa, >1CLU_1|Chain... at 92%
1d8e
RCSB PDB
PDBbind
11aa, >1D8E_3|Chain... at 100%
1he8
RCSB PDB
PDBbind
166aa, >1HE8_2|Chain... at 92%
1nvu
RCSB PDB
PDBbind
166aa, >1NVU_1|Chains... at 92%
1wq1
RCSB PDB
PDBbind
166aa, >1WQ1_1|Chain... at 92%
4dst
RCSB PDB
PDBbind
189aa, >4DST_1|Chain... *
4dsu
RCSB PDB
PDBbind
189aa, >4DSU_1|Chain... at 100%
4epy
RCSB PDB
PDBbind
170aa, >4EPY_1|Chain... at 98%
4k81
RCSB PDB
PDBbind
171aa, >4K81_2|Chains... at 90%
4nyi
RCSB PDB
PDBbind
167aa, >4NYI_1|Chain... at 92%
4nyj
RCSB PDB
PDBbind
166aa, >4NYJ_2|Chain... at 92%
4nym
RCSB PDB
PDBbind
166aa, >4NYM_2|Chain... at 92%
5kyk
RCSB PDB
PDBbind
169aa, >5KYK_1|Chains... at 98%
6b0v
RCSB PDB
PDBbind
170aa, >6B0V_1|Chains... at 97%
6b0y
RCSB PDB
PDBbind
170aa, >6B0Y_1|Chains... at 97%
6d55
RCSB PDB
PDBbind
167aa, >6D55_3|Chain... at 92%
6d56
RCSB PDB
PDBbind
167aa, >6D56_3|Chain... at 92%
6d59
RCSB PDB
PDBbind
167aa, >6D59_3|Chain... at 92%
6d5e
RCSB PDB
PDBbind
167aa, >6D5E_3|Chain... at 92%
6d5g
RCSB PDB
PDBbind
167aa, >6D5G_3|Chain... at 92%
6d5h
RCSB PDB
PDBbind
167aa, >6D5H_3|Chain... at 92%
6d5j
RCSB PDB
PDBbind
167aa, >6D5J_3|Chain... at 92%
6fa2
RCSB PDB
PDBbind
171aa, >6FA2_3|Chain... at 96%
6fa4
RCSB PDB
PDBbind
173aa, >6FA4_2|Chains... at 96%
6quw
RCSB PDB
PDBbind
170aa, >6QUW_1|Chains... at 99%
6quv
RCSB PDB
PDBbind
170aa, >6QUV_1|Chains... at 99%
6pgp
RCSB PDB
PDBbind
183aa, >6PGP_1|Chains... at 90%
6pgo
RCSB PDB
PDBbind
183aa, >6PGO_1|Chains... at 90%
6p8z
RCSB PDB
PDBbind
183aa, >6P8Z_1|Chains... at 90%
6p8y
RCSB PDB
PDBbind
183aa, >6P8Y_1|Chains... at 90%
6p8x
RCSB PDB
PDBbind
183aa, >6P8X_1|Chains... at 90%
6gj8
RCSB PDB
PDBbind
169aa, >6GJ8_1|Chain... at 99%
6gj7
RCSB PDB
PDBbind
170aa, >6GJ7_1|Chain... at 99%
6gj6
RCSB PDB
PDBbind
170aa, >6GJ6_1|Chain... at 99%
6gj5
RCSB PDB
PDBbind
170aa, >6GJ5_1|Chains... at 98%
6d5w
RCSB PDB
PDBbind
167aa, >6D5W_2|Chain... at 92%
6ccx
RCSB PDB
PDBbind
187aa, >6CCX_2|Chain... at 97%
6oim
RCSB PDB
PDBbind
183aa, >6OIM_1|Chain... at 90%
6cc9
RCSB PDB
PDBbind
187aa, >6CC9_2|Chain... at 97%
6v5l
RCSB PDB
PDBbind
169aa, >6V5L_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6fa3
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
GTPase KRas
Ligand Name
D1Z
EC.Number
E.C.-.-.-.-
Resolution
1.82(Å)
Affinity (Kd/Ki/IC50)
Kd=0.038uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat Commun Vol. 9: pp. 3169-3169
Ligand Properties
Formula
C
3
0
H
3
7
N
4
O
5
Molecular Weight
533.639
Exact Mass
533.276
No. of atoms
76
No. of bonds
80
Polar Surface Area
95.38
LOGP Value
3.60 (
Computed with XLOGP3
)
3.29 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
Canonical SMILES
COc1nc(ccc1Nc1cccc(c1)C[NH+](C)C)c1cccc2c1O[C@H](CNC(=O)C1CCOCC1)CO2
InChI String
InChI=1S/C30H36N4O5/c1-34(2)18-20-6-4-7-22(16-20)32-26-11-10-25(33-30(26)36-3)24-8-5-9-27-28(24)39-23(19-38-27)17-31-29(35)21-12-14-37-15-13-21/h4-11,16,21,23,32H,12-15,17-19H2,1-3H3,(H,31,35)/p+1/t23-/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):
P01116
Entrez Gene ID
NCBI Entrez Gene ID:
3845
ASD
Information of known allosteric effects of PDB entries
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