Browse entries in the PDBbind-CN Database
HEADER 3D9P_COMPLEX COMPND 3D9P_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 141 MET GLU ALA VAL LYS THR PHE ASN SER GLU LEU TYR SER SEQRES 2 B 141 LEU ASN ASP TYR LYS PRO PRO ILE SER LYS ALA LYS MET SEQRES 3 B 141 THR GLN ILE THR LYS ALA ALA ILE LYS ALA ILE LYS PHE SEQRES 4 B 141 TYR LYS HIS VAL VAL GLN SER VAL GLU LYS PHE ILE GLN SEQRES 5 B 141 LYS CYS LYS PRO GLU TYR LYS VAL PRO GLY LEU TYR VAL SEQRES 6 B 141 ILE ASP SER ILE VAL ARG GLN SER ARG HIS GLN PHE GLY SEQRES 7 B 141 GLN GLU LYS ASP VAL PHE ALA PRO ARG PHE SER ASN ASN SEQRES 8 B 141 ILE ILE SER THR PHE GLN ASN LEU TYR ARG CYS PRO GLY SEQRES 9 B 141 ASP ASP LYS SER LYS ILE VAL THR VAL LEU ASN LEU TRP SEQRES 10 B 141 GLN LYS ASN ASN VAL PHE LYS SER GLU ILE ILE GLN PRO SEQRES 11 B 141 LEU LEU ASP MET ALA ALA ALA LEU GLU HIS HIS HET PRO A 235 119 ATOM 1 N MET B 1 34.521 23.837 8.225 1.00 49.23 N ATOM 2 CA MET B 1 33.634 23.497 7.067 1.00 49.46 C ATOM 3 C MET B 1 32.357 22.773 7.515 1.00 48.44 C ATOM 4 O MET B 1 31.828 21.960 6.777 1.00 48.82 O ATOM 5 CB MET B 1 34.400 22.637 6.056 1.00 49.90 C ATOM 6 CG MET B 1 35.507 23.373 5.316 1.00 52.49 C ATOM 7 SD MET B 1 34.983 23.820 3.655 1.00 57.42 S ATOM 8 CE MET B 1 35.505 22.370 2.736 1.00 57.30 C ATOM 9 HA MET B 1 33.332 24.433 6.596 1.00 0.00 H ATOM 10 HB2 MET B 1 34.846 21.798 6.590 1.00 0.00 H ATOM 11 HB3 MET B 1 33.689 22.261 5.320 1.00 0.00 H ATOM 12 HG2 MET B 1 36.384 22.728 5.252 1.00 0.00 H ATOM 13 HG3 MET B 1 35.763 24.279 5.866 1.00 0.00 H ATOM 14 HE1 MET B 1 36.583 22.247 2.836 1.00 0.00 H ATOM 15 HE2 MET B 1 34.999 21.489 3.132 1.00 0.00 H ATOM 16 HE3 MET B 1 35.248 22.496 1.684 1.00 0.00 H ATOM 17 HN3 MET B 1 34.798 22.963 8.717 1.00 0.00 H ATOM 18 HN2 MET B 1 34.008 24.458 8.882 1.00 0.00 H ATOM 19 HN1 MET B 1 35.371 24.325 7.877 1.00 0.00 H ATOM 20 N GLU B 2 31.873 23.098 8.718 1.00 47.45 N ATOM 21 CA GLU B 2 30.753 22.397 9.394 1.00 45.88 C ATOM 22 C GLU B 2 29.625 21.875 8.485 1.00 44.43 C ATOM 23 O GLU B 2 29.388 20.661 8.425 1.00 43.85 O ATOM 24 CB GLU B 2 30.217 23.271 10.551 1.00 46.19 C ATOM 25 CG GLU B 2 28.724 23.184 10.861 1.00 47.07 C ATOM 26 CD GLU B 2 28.317 21.880 11.511 1.00 48.77 C ATOM 27 OE1 GLU B 2 27.681 21.055 10.822 1.00 50.23 O ATOM 28 OE2 GLU B 2 28.625 21.680 12.705 1.00 49.89 O ATOM 29 HA GLU B 2 31.181 21.475 9.786 1.00 0.00 H ATOM 30 HB2 GLU B 2 30.756 22.986 11.454 1.00 0.00 H ATOM 31 HB3 GLU B 2 30.441 24.310 10.308 1.00 0.00 H ATOM 32 HG2 GLU B 2 28.463 24.001 11.533 1.00 0.00 H ATOM 33 HG3 GLU B 2 28.171 23.292 9.928 1.00 0.00 H ATOM 34 H GLU B 2 32.312 23.899 9.215 1.00 0.00 H ATOM 35 N ALA B 3 28.934 22.784 7.796 1.00 42.58 N ATOM 36 CA ALA B 3 27.845 22.400 6.907 1.00 40.64 C ATOM 37 C ALA B 3 28.376 21.583 5.725 1.00 39.55 C ATOM 38 O ALA B 3 27.755 20.601 5.325 1.00 38.78 O ATOM 39 CB ALA B 3 27.066 23.629 6.428 1.00 40.74 C ATOM 40 HA ALA B 3 27.153 21.771 7.467 1.00 0.00 H ATOM 41 HB1 ALA B 3 26.647 24.150 7.289 1.00 0.00 H ATOM 42 HB2 ALA B 3 27.738 24.296 5.889 1.00 0.00 H ATOM 43 HB3 ALA B 3 26.260 23.312 5.767 1.00 0.00 H ATOM 44 H ALA B 3 29.178 23.790 7.895 1.00 0.00 H ATOM 45 N VAL B 4 29.524 21.986 5.183 1.00 38.26 N ATOM 46 CA VAL B 4 30.118 21.290 4.046 1.00 37.41 C ATOM 47 C VAL B 4 30.628 19.910 4.486 1.00 36.41 C ATOM 48 O VAL B 4 30.441 18.936 3.774 1.00 35.69 O ATOM 49 CB VAL B 4 31.247 22.116 3.367 1.00 37.93 C ATOM 50 CG1 VAL B 4 32.039 21.258 2.364 1.00 38.10 C ATOM 51 CG2 VAL B 4 30.661 23.326 2.636 1.00 37.93 C ATOM 52 HA VAL B 4 29.340 21.159 3.294 1.00 0.00 H ATOM 53 HB VAL B 4 31.922 22.454 4.153 1.00 0.00 H ATOM 54 HG11 VAL B 4 32.491 20.415 2.886 1.00 0.00 H ATOM 55 HG12 VAL B 4 31.365 20.889 1.591 1.00 0.00 H ATOM 56 HG13 VAL B 4 32.821 21.865 1.907 1.00 0.00 H ATOM 57 HG21 VAL B 4 29.963 22.984 1.872 1.00 0.00 H ATOM 58 HG22 VAL B 4 30.137 23.962 3.350 1.00 0.00 H ATOM 59 HG23 VAL B 4 31.467 23.891 2.168 1.00 0.00 H ATOM 60 H VAL B 4 30.009 22.816 5.579 1.00 0.00 H ATOM 61 N LYS B 5 31.238 19.841 5.669 1.00 35.30 N ATOM 62 CA LYS B 5 31.760 18.582 6.199 1.00 34.69 C ATOM 63 C LYS B 5 30.661 17.564 6.418 1.00 34.04 C ATOM 64 O LYS B 5 30.861 16.391 6.135 1.00 34.09 O ATOM 65 CB LYS B 5 32.533 18.794 7.495 1.00 34.72 C ATOM 66 CG LYS B 5 33.919 19.354 7.308 1.00 34.87 C ATOM 67 CD LYS B 5 34.575 19.535 8.657 1.00 34.41 C ATOM 68 CE LYS B 5 35.940 20.162 8.527 1.00 34.80 C ATOM 69 NZ LYS B 5 36.659 20.123 9.818 1.00 35.24 N ATOM 70 HA LYS B 5 32.445 18.192 5.446 1.00 0.00 H ATOM 71 HB2 LYS B 5 31.967 19.485 8.121 1.00 0.00 H ATOM 72 HB3 LYS B 5 32.619 17.833 8.002 1.00 0.00 H ATOM 73 HG2 LYS B 5 34.511 18.666 6.705 1.00 0.00 H ATOM 74 HG3 LYS B 5 33.857 20.317 6.802 1.00 0.00 H ATOM 75 HD2 LYS B 5 33.947 20.178 9.274 1.00 0.00 H ATOM 76 HD3 LYS B 5 34.676 18.561 9.136 1.00 0.00 H ATOM 77 HE2 LYS B 5 35.829 21.199 8.210 1.00 0.00 H ATOM 78 HE3 LYS B 5 36.515 19.615 7.780 1.00 0.00 H ATOM 79 HZ1 LYS B 5 36.115 20.647 10.533 1.00 0.00 H ATOM 80 HZ2 LYS B 5 36.770 19.135 10.122 1.00 0.00 H ATOM 81 HZ3 LYS B 5 37.596 20.560 9.705 1.00 0.00 H ATOM 82 H LYS B 5 31.346 20.709 6.232 1.00 0.00 H ATOM 83 N THR B 6 29.510 18.023 6.915 1.00 33.35 N ATOM 84 CA THR B 6 28.342 17.168 7.126 1.00 33.10 C ATOM 85 C THR B 6 27.791 16.678 5.782 1.00 32.54 C ATOM 86 O THR B 6 27.370 15.522 5.659 1.00 31.62 O ATOM 87 CB THR B 6 27.245 17.890 7.954 1.00 33.41 C ATOM 88 OG1 THR B 6 27.828 18.417 9.157 1.00 34.64 O ATOM 89 CG2 THR B 6 26.105 16.933 8.334 1.00 33.73 C ATOM 90 HA THR B 6 28.660 16.301 7.705 1.00 0.00 H ATOM 91 HB THR B 6 26.833 18.692 7.341 1.00 0.00 H ATOM 92 HG1 THR B 6 28.543 19.060 8.922 1.00 0.00 H ATOM 93 HG23 THR B 6 25.656 16.527 7.428 1.00 0.00 H ATOM 94 HG21 THR B 6 26.503 16.119 8.940 1.00 0.00 H ATOM 95 HG22 THR B 6 25.351 17.476 8.903 1.00 0.00 H ATOM 96 H THR B 6 29.441 19.031 7.163 1.00 0.00 H ATOM 97 N PHE B 7 27.793 17.559 4.780 1.00 31.89 N ATOM 98 CA PHE B 7 27.484 17.134 3.419 1.00 31.33 C ATOM 99 C PHE B 7 28.503 16.100 2.873 1.00 31.36 C ATOM 100 O PHE B 7 28.098 15.058 2.358 1.00 31.02 O ATOM 101 CB PHE B 7 27.376 18.302 2.437 1.00 31.63 C ATOM 102 CG PHE B 7 27.150 17.840 1.038 1.00 31.52 C ATOM 103 CD1 PHE B 7 25.933 17.279 0.681 1.00 30.28 C ATOM 104 CD2 PHE B 7 28.185 17.860 0.109 1.00 31.98 C ATOM 105 CE1 PHE B 7 25.729 16.778 -0.601 1.00 30.95 C ATOM 106 CE2 PHE B 7 27.994 17.369 -1.174 1.00 30.77 C ATOM 107 CZ PHE B 7 26.759 16.833 -1.529 1.00 31.46 C ATOM 108 HA PHE B 7 26.506 16.658 3.494 1.00 0.00 H ATOM 109 HB2 PHE B 7 26.542 18.937 2.737 1.00 0.00 H ATOM 110 HB3 PHE B 7 28.301 18.878 2.472 1.00 0.00 H ATOM 111 HD2 PHE B 7 29.156 18.266 0.392 1.00 0.00 H ATOM 112 HE2 PHE B 7 28.806 17.403 -1.900 1.00 0.00 H ATOM 113 HZ PHE B 7 26.601 16.455 -2.539 1.00 0.00 H ATOM 114 HE1 PHE B 7 24.767 16.345 -0.874 1.00 0.00 H ATOM 115 HD1 PHE B 7 25.127 17.230 1.413 1.00 0.00 H ATOM 116 H PHE B 7 28.017 18.557 4.971 1.00 0.00 H ATOM 117 N ASN B 8 29.806 16.390 2.985 1.00 30.66 N ATOM 118 CA ASN B 8 30.832 15.450 2.525 1.00 30.86 C ATOM 119 C ASN B 8 30.627 14.057 3.155 1.00 30.19 C ATOM 120 O ASN B 8 30.715 13.039 2.473 1.00 30.24 O ATOM 121 CB ASN B 8 32.248 15.972 2.809 1.00 30.90 C ATOM 122 CG ASN B 8 32.615 17.201 1.974 1.00 33.13 C ATOM 123 OD1 ASN B 8 31.935 17.543 1.007 1.00 37.18 O ATOM 124 ND2 ASN B 8 33.711 17.861 2.342 1.00 32.50 N ATOM 125 HA ASN B 8 30.726 15.357 1.444 1.00 0.00 H ATOM 126 HB2 ASN B 8 32.315 16.237 3.864 1.00 0.00 H ATOM 127 HB3 ASN B 8 32.961 15.178 2.589 1.00 0.00 H ATOM 128 HD22 ASN B 8 34.259 17.540 3.166 1.00 0.00 H ATOM 129 HD21 ASN B 8 34.019 18.697 1.806 1.00 0.00 H ATOM 130 H ASN B 8 30.094 17.297 3.405 1.00 0.00 H ATOM 131 N SER B 9 30.339 14.032 4.455 1.00 29.84 N ATOM 132 CA SER B 9 30.005 12.794 5.153 1.00 29.65 C ATOM 133 C SER B 9 28.840 12.022 4.525 1.00 30.00 C ATOM 134 O SER B 9 28.954 10.816 4.317 1.00 29.71 O ATOM 135 CB SER B 9 29.731 13.071 6.622 1.00 29.78 C ATOM 136 OG SER B 9 30.947 13.102 7.342 1.00 28.18 O ATOM 137 HA SER B 9 30.878 12.148 5.057 1.00 0.00 H ATOM 138 HB2 SER B 9 29.092 12.285 7.025 1.00 0.00 H ATOM 139 HB3 SER B 9 29.228 14.033 6.721 1.00 0.00 H ATOM 140 HG SER B 9 30.759 13.283 8.297 1.00 0.00 H ATOM 141 H SER B 9 30.352 14.923 4.990 1.00 0.00 H ATOM 142 N GLU B 10 27.729 12.705 4.233 1.00 29.69 N ATOM 143 CA GLU B 10 26.568 12.048 3.625 1.00 31.13 C ATOM 144 C GLU B 10 26.889 11.522 2.221 1.00 31.34 C ATOM 145 O GLU B 10 26.540 10.381 1.871 1.00 31.09 O ATOM 146 CB GLU B 10 25.348 12.981 3.561 1.00 31.08 C ATOM 147 CG GLU B 10 24.689 13.286 4.916 1.00 33.92 C ATOM 148 CD GLU B 10 24.005 12.072 5.559 1.00 37.08 C ATOM 149 OE1 GLU B 10 23.773 11.044 4.869 1.00 37.37 O ATOM 150 OE2 GLU B 10 23.701 12.155 6.773 1.00 38.80 O ATOM 151 HA GLU B 10 26.322 11.203 4.269 1.00 0.00 H ATOM 152 HB2 GLU B 10 25.667 13.925 3.120 1.00 0.00 H ATOM 153 HB3 GLU B 10 24.600 12.516 2.918 1.00 0.00 H ATOM 154 HG2 GLU B 10 25.458 13.649 5.598 1.00 0.00 H ATOM 155 HG3 GLU B 10 23.940 14.064 4.767 1.00 0.00 H ATOM 156 H GLU B 10 27.687 13.723 4.441 1.00 0.00 H ATOM 157 N LEU B 11 27.570 12.350 1.441 1.00 31.14 N ATOM 158 CA LEU B 11 27.971 11.978 0.095 1.00 32.16 C ATOM 159 C LEU B 11 28.868 10.747 0.115 1.00 31.54 C ATOM 160 O LEU B 11 28.575 9.754 -0.559 1.00 31.99 O ATOM 161 CB LEU B 11 28.660 13.162 -0.619 1.00 32.13 C ATOM 162 CG LEU B 11 29.135 12.950 -2.064 1.00 33.12 C ATOM 163 CD1 LEU B 11 28.007 12.478 -2.968 1.00 33.71 C ATOM 164 CD2 LEU B 11 29.770 14.220 -2.635 1.00 33.17 C ATOM 165 HA LEU B 11 27.074 11.725 -0.469 1.00 0.00 H ATOM 166 HB2 LEU B 11 27.954 13.992 -0.627 1.00 0.00 H ATOM 167 HB3 LEU B 11 29.533 13.435 -0.027 1.00 0.00 H ATOM 168 HG LEU B 11 29.893 12.167 -2.032 1.00 0.00 H ATOM 169 HD21 LEU B 11 29.037 15.027 -2.626 1.00 0.00 H ATOM 170 HD22 LEU B 11 30.629 14.501 -2.026 1.00 0.00 H ATOM 171 HD23 LEU B 11 30.095 14.034 -3.659 1.00 0.00 H ATOM 172 HD11 LEU B 11 27.615 11.532 -2.594 1.00 0.00 H ATOM 173 HD12 LEU B 11 27.212 13.224 -2.975 1.00 0.00 H ATOM 174 HD13 LEU B 11 28.387 12.341 -3.980 1.00 0.00 H ATOM 175 H LEU B 11 27.824 13.291 1.802 1.00 0.00 H ATOM 176 N TYR B 12 29.937 10.798 0.904 1.00 31.34 N ATOM 177 CA TYR B 12 30.881 9.682 0.980 1.00 31.30 C ATOM 178 C TYR B 12 30.238 8.392 1.512 1.00 30.62 C ATOM 179 O TYR B 12 30.694 7.290 1.192 1.00 29.97 O ATOM 180 CB TYR B 12 32.134 10.037 1.805 1.00 32.08 C ATOM 181 CG TYR B 12 33.293 9.081 1.567 1.00 33.89 C ATOM 182 CD1 TYR B 12 33.461 7.938 2.354 1.00 34.01 C ATOM 183 CD2 TYR B 12 34.200 9.302 0.524 1.00 35.63 C ATOM 184 CE1 TYR B 12 34.507 7.046 2.118 1.00 34.08 C ATOM 185 CE2 TYR B 12 35.262 8.416 0.290 1.00 34.17 C ATOM 186 CZ TYR B 12 35.400 7.299 1.080 1.00 34.26 C ATOM 187 OH TYR B 12 36.441 6.434 0.833 1.00 35.02 O ATOM 188 HA TYR B 12 31.192 9.492 -0.047 1.00 0.00 H ATOM 189 HB3 TYR B 12 31.873 10.010 2.863 1.00 0.00 H ATOM 190 HB2 TYR B 12 32.453 11.044 1.536 1.00 0.00 H ATOM 191 HD2 TYR B 12 34.079 10.176 -0.116 1.00 0.00 H ATOM 192 HE2 TYR B 12 35.973 8.612 -0.513 1.00 0.00 H ATOM 193 HE1 TYR B 12 34.624 6.159 2.740 1.00 0.00 H ATOM 194 HD1 TYR B 12 32.762 7.740 3.167 1.00 0.00 H ATOM 195 HH TYR B 12 36.407 5.685 1.479 1.00 0.00 H ATOM 196 H TYR B 12 30.106 11.648 1.479 1.00 0.00 H ATOM 197 N SER B 13 29.181 8.524 2.315 1.00 30.10 N ATOM 198 CA SER B 13 28.542 7.346 2.918 1.00 29.67 C ATOM 199 C SER B 13 27.897 6.435 1.859 1.00 29.34 C ATOM 200 O SER B 13 27.518 5.312 2.168 1.00 28.92 O ATOM 201 CB SER B 13 27.497 7.752 3.957 1.00 29.13 C ATOM 202 OG SER B 13 26.354 8.271 3.305 1.00 30.94 O ATOM 203 HA SER B 13 29.333 6.783 3.414 1.00 0.00 H ATOM 204 HB2 SER B 13 27.916 8.513 4.615 1.00 0.00 H ATOM 205 HB3 SER B 13 27.214 6.880 4.547 1.00 0.00 H ATOM 206 HG SER B 13 26.612 9.064 2.771 1.00 0.00 H ATOM 207 H SER B 13 28.805 9.472 2.517 1.00 0.00 H ATOM 208 N LEU B 14 27.762 6.933 0.626 1.00 28.96 N ATOM 209 CA LEU B 14 27.358 6.084 -0.509 1.00 29.27 C ATOM 210 C LEU B 14 28.255 4.866 -0.651 1.00 28.82 C ATOM 211 O LEU B 14 27.776 3.789 -1.019 1.00 28.65 O ATOM 212 CB LEU B 14 27.347 6.860 -1.833 1.00 29.01 C ATOM 213 CG LEU B 14 26.295 7.941 -2.065 1.00 29.93 C ATOM 214 CD1 LEU B 14 26.565 8.656 -3.393 1.00 30.22 C ATOM 215 CD2 LEU B 14 24.872 7.361 -2.021 1.00 30.70 C ATOM 216 HA LEU B 14 26.343 5.753 -0.289 1.00 0.00 H ATOM 217 HB2 LEU B 14 28.321 7.341 -1.927 1.00 0.00 H ATOM 218 HB3 LEU B 14 27.228 6.126 -2.630 1.00 0.00 H ATOM 219 HG LEU B 14 26.366 8.670 -1.257 1.00 0.00 H ATOM 220 HD21 LEU B 14 24.766 6.603 -2.797 1.00 0.00 H ATOM 221 HD22 LEU B 14 24.695 6.910 -1.045 1.00 0.00 H ATOM 222 HD23 LEU B 14 24.150 8.160 -2.190 1.00 0.00 H ATOM 223 HD11 LEU B 14 27.553 9.116 -3.362 1.00 0.00 H ATOM 224 HD12 LEU B 14 26.524 7.933 -4.208 1.00 0.00 H ATOM 225 HD13 LEU B 14 25.809 9.426 -3.550 1.00 0.00 H ATOM 226 H LEU B 14 27.946 7.944 0.464 1.00 0.00 H ATOM 227 N ASN B 15 29.548 5.042 -0.359 1.00 28.93 N ATOM 228 CA ASN B 15 30.526 3.938 -0.359 1.00 29.15 C ATOM 229 C ASN B 15 30.224 2.802 0.627 1.00 29.20 C ATOM 230 O ASN B 15 30.838 1.733 0.549 1.00 28.99 O ATOM 231 CB ASN B 15 31.944 4.465 -0.105 1.00 29.20 C ATOM 232 CG ASN B 15 32.532 5.186 -1.307 1.00 30.81 C ATOM 233 OD1 ASN B 15 32.688 4.605 -2.377 1.00 35.70 O ATOM 234 ND2 ASN B 15 32.887 6.442 -1.127 1.00 29.73 N ATOM 235 HA ASN B 15 30.446 3.504 -1.356 1.00 0.00 H ATOM 236 HB2 ASN B 15 31.912 5.158 0.735 1.00 0.00 H ATOM 237 HB3 ASN B 15 32.589 3.622 0.145 1.00 0.00 H ATOM 238 HD22 ASN B 15 32.737 6.898 -0.204 1.00 0.00 H ATOM 239 HD21 ASN B 15 33.317 6.978 -1.908 1.00 0.00 H ATOM 240 H ASN B 15 29.878 5.999 -0.122 1.00 0.00 H ATOM 241 N ASP B 16 29.315 3.036 1.571 1.00 29.71 N ATOM 242 CA ASP B 16 28.969 2.001 2.567 1.00 30.26 C ATOM 243 C ASP B 16 27.716 1.190 2.179 1.00 31.07 C ATOM 244 O ASP B 16 27.273 0.314 2.935 1.00 30.85 O ATOM 245 CB ASP B 16 28.786 2.626 3.955 1.00 30.20 C ATOM 246 CG ASP B 16 30.042 3.348 4.456 1.00 29.86 C ATOM 247 OD1 ASP B 16 31.113 2.721 4.533 1.00 29.32 O ATOM 248 OD2 ASP B 16 29.952 4.545 4.789 1.00 29.69 O ATOM 249 HA ASP B 16 29.806 1.303 2.591 1.00 0.00 H ATOM 250 HB2 ASP B 16 27.967 3.344 3.908 1.00 0.00 H ATOM 251 HB3 ASP B 16 28.534 1.836 4.662 1.00 0.00 H ATOM 252 H ASP B 16 28.841 3.961 1.608 1.00 0.00 H ATOM 253 N TYR B 17 27.154 1.493 1.008 1.00 31.72 N ATOM 254 CA TYR B 17 25.931 0.844 0.514 1.00 32.66 C ATOM 255 C TYR B 17 26.131 0.294 -0.883 1.00 32.47 C ATOM 256 O TYR B 17 26.807 0.903 -1.699 1.00 32.25 O ATOM 257 CB TYR B 17 24.745 1.826 0.512 1.00 33.19 C ATOM 258 CG TYR B 17 24.428 2.345 1.889 1.00 34.53 C ATOM 259 CD1 TYR B 17 23.685 1.575 2.789 1.00 35.34 C ATOM 260 CD2 TYR B 17 24.908 3.587 2.312 1.00 34.46 C ATOM 261 CE1 TYR B 17 23.415 2.035 4.072 1.00 36.34 C ATOM 262 CE2 TYR B 17 24.644 4.059 3.593 1.00 35.67 C ATOM 263 CZ TYR B 17 23.896 3.281 4.463 1.00 35.94 C ATOM 264 OH TYR B 17 23.632 3.733 5.730 1.00 36.74 O ATOM 265 HA TYR B 17 25.708 0.019 1.191 1.00 0.00 H ATOM 266 HB3 TYR B 17 23.866 1.314 0.120 1.00 0.00 H ATOM 267 HB2 TYR B 17 24.990 2.670 -0.133 1.00 0.00 H ATOM 268 HD2 TYR B 17 25.499 4.195 1.627 1.00 0.00 H ATOM 269 HE2 TYR B 17 25.021 5.031 3.910 1.00 0.00 H ATOM 270 HE1 TYR B 17 22.833 1.427 4.764 1.00 0.00 H ATOM 271 HD1 TYR B 17 23.312 0.599 2.479 1.00 0.00 H ATOM 272 HH TYR B 17 23.091 3.059 6.213 1.00 0.00 H ATOM 273 H TYR B 17 27.602 2.222 0.417 1.00 0.00 H ATOM 274 N LYS B 18 25.532 -0.859 -1.147 1.00 32.47 N ATOM 275 CA LYS B 18 25.542 -1.447 -2.472 1.00 32.83 C ATOM 276 C LYS B 18 24.374 -0.853 -3.249 1.00 32.72 C ATOM 277 O LYS B 18 23.245 -0.850 -2.750 1.00 32.59 O ATOM 278 CB LYS B 18 25.416 -2.973 -2.366 1.00 33.08 C ATOM 279 CG LYS B 18 25.685 -3.730 -3.665 1.00 33.98 C ATOM 280 CD LYS B 18 25.781 -5.224 -3.412 1.00 33.63 C ATOM 281 CE LYS B 18 25.942 -6.013 -4.710 1.00 35.37 C ATOM 282 NZ LYS B 18 26.101 -7.479 -4.442 1.00 35.14 N ATOM 283 HA LYS B 18 26.477 -1.230 -2.989 1.00 0.00 H ATOM 284 HB2 LYS B 18 26.127 -3.321 -1.617 1.00 0.00 H ATOM 285 HB3 LYS B 18 24.403 -3.208 -2.040 1.00 0.00 H ATOM 286 HG2 LYS B 18 24.872 -3.538 -4.365 1.00 0.00 H ATOM 287 HG3 LYS B 18 26.623 -3.380 -4.095 1.00 0.00 H ATOM 288 HD2 LYS B 18 26.642 -5.419 -2.772 1.00 0.00 H ATOM 289 HD3 LYS B 18 24.873 -5.555 -2.908 1.00 0.00 H ATOM 290 HE2 LYS B 18 26.824 -5.651 -5.239 1.00 0.00 H ATOM 291 HE3 LYS B 18 25.059 -5.859 -5.331 1.00 0.00 H ATOM 292 HZ1 LYS B 18 26.945 -7.633 -3.854 1.00 0.00 H ATOM 293 HZ2 LYS B 18 25.260 -7.832 -3.942 1.00 0.00 H ATOM 294 HZ3 LYS B 18 26.208 -7.985 -5.344 1.00 0.00 H ATOM 295 H LYS B 18 25.039 -1.358 -0.379 1.00 0.00 H ATOM 296 N PRO B 19 24.643 -0.303 -4.451 1.00 32.77 N ATOM 297 CA PRO B 19 23.558 0.188 -5.310 1.00 33.16 C ATOM 298 C PRO B 19 22.596 -0.954 -5.682 1.00 33.30 C ATOM 299 O PRO B 19 23.019 -2.108 -5.728 1.00 33.29 O ATOM 300 CB PRO B 19 24.301 0.717 -6.547 1.00 33.28 C ATOM 301 CG PRO B 19 25.677 1.008 -6.063 1.00 32.96 C ATOM 302 CD PRO B 19 25.962 -0.083 -5.075 1.00 32.71 C ATOM 303 HA PRO B 19 22.939 0.947 -4.832 1.00 0.00 H ATOM 304 HD3 PRO B 19 26.317 -0.984 -5.575 1.00 0.00 H ATOM 305 HD2 PRO B 19 26.699 0.236 -4.337 1.00 0.00 H ATOM 306 HG3 PRO B 19 25.719 1.985 -5.582 1.00 0.00 H ATOM 307 HG2 PRO B 19 26.390 0.979 -6.887 1.00 0.00 H ATOM 308 HB2 PRO B 19 24.321 -0.036 -7.335 1.00 0.00 H ATOM 309 HB3 PRO B 19 23.826 1.623 -6.924 1.00 0.00 H ATOM 310 N PRO B 20 21.305 -0.646 -5.925 1.00 33.52 N ATOM 311 CA PRO B 20 20.682 0.682 -5.986 1.00 33.42 C ATOM 312 C PRO B 20 20.592 1.389 -4.627 1.00 33.34 C ATOM 313 O PRO B 20 20.279 0.764 -3.609 1.00 32.63 O ATOM 314 CB PRO B 20 19.277 0.378 -6.520 1.00 33.63 C ATOM 315 CG PRO B 20 18.998 -1.020 -6.054 1.00 33.70 C ATOM 316 CD PRO B 20 20.321 -1.725 -6.166 1.00 33.76 C ATOM 317 HA PRO B 20 21.267 1.365 -6.602 1.00 0.00 H ATOM 318 HD3 PRO B 20 20.410 -2.510 -5.415 1.00 0.00 H ATOM 319 HD2 PRO B 20 20.450 -2.157 -7.158 1.00 0.00 H ATOM 320 HG3 PRO B 20 18.252 -1.497 -6.690 1.00 0.00 H ATOM 321 HG2 PRO B 20 18.647 -1.020 -5.022 1.00 0.00 H ATOM 322 HB2 PRO B 20 18.548 1.075 -6.108 1.00 0.00 H ATOM 323 HB3 PRO B 20 19.257 0.434 -7.608 1.00 0.00 H ATOM 324 N ILE B 21 20.862 2.690 -4.632 1.00 33.30 N ATOM 325 CA ILE B 21 20.789 3.502 -3.418 1.00 33.49 C ATOM 326 C ILE B 21 19.330 3.799 -3.060 1.00 33.78 C ATOM 327 O ILE B 21 18.539 4.181 -3.928 1.00 33.61 O ATOM 328 CB ILE B 21 21.610 4.804 -3.564 1.00 33.46 C ATOM 329 CG1 ILE B 21 23.049 4.487 -4.036 1.00 33.05 C ATOM 330 CG2 ILE B 21 21.614 5.598 -2.249 1.00 33.48 C ATOM 331 CD1 ILE B 21 23.854 3.551 -3.105 1.00 33.44 C ATOM 332 HA ILE B 21 21.229 2.932 -2.600 1.00 0.00 H ATOM 333 HB ILE B 21 21.138 5.427 -4.323 1.00 0.00 H ATOM 334 HG12 ILE B 21 22.987 4.016 -5.017 1.00 0.00 H ATOM 335 HG13 ILE B 21 23.592 5.428 -4.120 1.00 0.00 H ATOM 336 HD11 ILE B 21 23.943 4.009 -2.120 1.00 0.00 H ATOM 337 HD12 ILE B 21 23.337 2.595 -3.017 1.00 0.00 H ATOM 338 HD13 ILE B 21 24.848 3.391 -3.524 1.00 0.00 H ATOM 339 HG21 ILE B 21 20.590 5.856 -1.979 1.00 0.00 H ATOM 340 HG22 ILE B 21 22.057 4.990 -1.460 1.00 0.00 H ATOM 341 HG23 ILE B 21 22.198 6.509 -2.378 1.00 0.00 H ATOM 342 H ILE B 21 21.134 3.145 -5.527 1.00 0.00 H ATOM 343 N SER B 22 18.994 3.620 -1.784 1.00 33.87 N ATOM 344 CA SER B 22 17.639 3.853 -1.281 1.00 34.74 C ATOM 345 C SER B 22 17.175 5.317 -1.354 1.00 35.31 C ATOM 346 O SER B 22 17.983 6.241 -1.306 1.00 34.73 O ATOM 347 CB SER B 22 17.540 3.381 0.162 1.00 34.70 C ATOM 348 OG SER B 22 18.244 4.269 1.006 1.00 35.34 O ATOM 349 HA SER B 22 16.981 3.284 -1.938 1.00 0.00 H ATOM 350 HB2 SER B 22 17.970 2.383 0.247 1.00 0.00 H ATOM 351 HB3 SER B 22 16.493 3.350 0.462 1.00 0.00 H ATOM 352 HG SER B 22 19.196 4.296 0.735 1.00 0.00 H ATOM 353 H SER B 22 19.725 3.301 -1.117 1.00 0.00 H ATOM 354 N LYS B 23 15.856 5.495 -1.462 1.00 36.05 N ATOM 355 CA LYS B 23 15.204 6.798 -1.321 1.00 36.93 C ATOM 356 C LYS B 23 15.631 7.497 -0.031 1.00 36.38 C ATOM 357 O LYS B 23 15.966 8.683 -0.045 1.00 36.57 O ATOM 358 CB LYS B 23 13.677 6.624 -1.314 1.00 37.08 C ATOM 359 CG LYS B 23 13.021 6.833 -2.671 1.00 38.46 C ATOM 360 CD LYS B 23 11.505 6.616 -2.623 1.00 38.39 C ATOM 361 CE LYS B 23 11.120 5.191 -3.030 1.00 40.28 C ATOM 362 NZ LYS B 23 9.793 5.138 -3.713 1.00 41.40 N ATOM 363 HA LYS B 23 15.507 7.413 -2.169 1.00 0.00 H ATOM 364 HB2 LYS B 23 13.449 5.613 -0.975 1.00 0.00 H ATOM 365 HB3 LYS B 23 13.253 7.344 -0.614 1.00 0.00 H ATOM 366 HG2 LYS B 23 13.219 7.852 -3.003 1.00 0.00 H ATOM 367 HG3 LYS B 23 13.454 6.129 -3.382 1.00 0.00 H ATOM 368 HD2 LYS B 23 11.154 6.800 -1.608 1.00 0.00 H ATOM 369 HD3 LYS B 23 11.026 7.319 -3.304 1.00 0.00 H ATOM 370 HE2 LYS B 23 11.080 4.569 -2.136 1.00 0.00 H ATOM 371 HE3 LYS B 23 11.880 4.802 -3.708 1.00 0.00 H ATOM 372 HZ1 LYS B 23 9.059 5.500 -3.071 1.00 0.00 H ATOM 373 HZ2 LYS B 23 9.823 5.723 -4.572 1.00 0.00 H ATOM 374 HZ3 LYS B 23 9.576 4.154 -3.969 1.00 0.00 H ATOM 375 H LYS B 23 15.261 4.665 -1.656 1.00 0.00 H ATOM 376 N ALA B 24 15.606 6.753 1.075 1.00 35.73 N ATOM 377 CA ALA B 24 15.981 7.277 2.385 1.00 35.38 C ATOM 378 C ALA B 24 17.393 7.859 2.402 1.00 35.15 C ATOM 379 O ALA B 24 17.597 8.956 2.914 1.00 35.40 O ATOM 380 CB ALA B 24 15.822 6.205 3.465 1.00 35.32 C ATOM 381 HA ALA B 24 15.299 8.098 2.603 1.00 0.00 H ATOM 382 HB1 ALA B 24 14.783 5.879 3.501 1.00 0.00 H ATOM 383 HB2 ALA B 24 16.463 5.356 3.229 1.00 0.00 H ATOM 384 HB3 ALA B 24 16.107 6.620 4.432 1.00 0.00 H ATOM 385 H ALA B 24 15.307 5.759 1.002 1.00 0.00 H ATOM 386 N LYS B 25 18.366 7.140 1.841 1.00 34.68 N ATOM 387 CA LYS B 25 19.741 7.653 1.804 1.00 34.05 C ATOM 388 C LYS B 25 19.865 8.885 0.898 1.00 34.15 C ATOM 389 O LYS B 25 20.523 9.873 1.260 1.00 33.15 O ATOM 390 CB LYS B 25 20.734 6.549 1.418 1.00 34.01 C ATOM 391 CG LYS B 25 22.186 7.021 1.128 1.00 33.85 C ATOM 392 CD LYS B 25 22.812 7.868 2.234 1.00 33.75 C ATOM 393 CE LYS B 25 23.078 7.091 3.504 1.00 36.35 C ATOM 394 NZ LYS B 25 23.856 7.956 4.455 1.00 36.10 N ATOM 395 HA LYS B 25 19.998 7.981 2.811 1.00 0.00 H ATOM 396 HB2 LYS B 25 20.772 5.831 2.237 1.00 0.00 H ATOM 397 HB3 LYS B 25 20.356 6.056 0.522 1.00 0.00 H ATOM 398 HG2 LYS B 25 22.808 6.138 0.982 1.00 0.00 H ATOM 399 HG3 LYS B 25 22.175 7.612 0.212 1.00 0.00 H ATOM 400 HD2 LYS B 25 23.757 8.270 1.869 1.00 0.00 H ATOM 401 HD3 LYS B 25 22.135 8.690 2.466 1.00 0.00 H ATOM 402 HE2 LYS B 25 23.653 6.195 3.271 1.00 0.00 H ATOM 403 HE3 LYS B 25 22.131 6.804 3.962 1.00 0.00 H ATOM 404 HZ1 LYS B 25 24.758 8.228 4.015 1.00 0.00 H ATOM 405 HZ2 LYS B 25 23.305 8.810 4.675 1.00 0.00 H ATOM 406 HZ3 LYS B 25 24.042 7.426 5.331 1.00 0.00 H ATOM 407 H LYS B 25 18.150 6.211 1.427 1.00 0.00 H ATOM 408 N MET B 26 19.219 8.845 -0.265 1.00 34.26 N ATOM 409 CA MET B 26 19.270 9.989 -1.192 1.00 34.99 C ATOM 410 C MET B 26 18.689 11.268 -0.561 1.00 34.86 C ATOM 411 O MET B 26 19.248 12.355 -0.712 1.00 34.53 O ATOM 412 CB MET B 26 18.566 9.647 -2.505 1.00 35.27 C ATOM 413 CG MET B 26 19.042 10.459 -3.695 1.00 37.65 C ATOM 414 SD MET B 26 20.826 10.422 -4.022 1.00 42.88 S ATOM 415 CE MET B 26 21.126 8.742 -4.524 1.00 38.82 C ATOM 416 HA MET B 26 20.319 10.193 -1.408 1.00 0.00 H ATOM 417 HB2 MET B 26 18.737 8.592 -2.720 1.00 0.00 H ATOM 418 HB3 MET B 26 17.498 9.822 -2.376 1.00 0.00 H ATOM 419 HG2 MET B 26 18.755 11.497 -3.527 1.00 0.00 H ATOM 420 HG3 MET B 26 18.532 10.082 -4.582 1.00 0.00 H ATOM 421 HE1 MET B 26 20.839 8.067 -3.718 1.00 0.00 H ATOM 422 HE2 MET B 26 20.537 8.519 -5.414 1.00 0.00 H ATOM 423 HE3 MET B 26 22.185 8.614 -4.746 1.00 0.00 H ATOM 424 H MET B 26 18.673 7.998 -0.522 1.00 0.00 H ATOM 425 N THR B 27 17.585 11.114 0.169 1.00 34.86 N ATOM 426 CA THR B 27 16.987 12.206 0.945 1.00 34.88 C ATOM 427 C THR B 27 17.972 12.820 1.970 1.00 34.94 C ATOM 428 O THR B 27 18.055 14.045 2.084 1.00 34.86 O ATOM 429 CB THR B 27 15.678 11.725 1.638 1.00 35.01 C ATOM 430 OG1 THR B 27 14.753 11.292 0.635 1.00 35.10 O ATOM 431 CG2 THR B 27 15.023 12.837 2.456 1.00 34.68 C ATOM 432 HA THR B 27 16.740 13.003 0.244 1.00 0.00 H ATOM 433 HB THR B 27 15.938 10.911 2.315 1.00 0.00 H ATOM 434 HG1 THR B 27 15.152 10.547 0.119 1.00 0.00 H ATOM 435 HG23 THR B 27 15.717 13.177 3.225 1.00 0.00 H ATOM 436 HG21 THR B 27 14.770 13.669 1.799 1.00 0.00 H ATOM 437 HG22 THR B 27 14.117 12.455 2.926 1.00 0.00 H ATOM 438 H THR B 27 17.128 10.180 0.190 1.00 0.00 H ATOM 439 N GLN B 28 18.703 11.969 2.701 1.00 34.60 N ATOM 440 CA GLN B 28 19.707 12.414 3.686 1.00 34.64 C ATOM 441 C GLN B 28 20.807 13.260 3.053 1.00 33.48 C ATOM 442 O GLN B 28 21.190 14.304 3.593 1.00 32.47 O ATOM 443 CB GLN B 28 20.363 11.220 4.391 1.00 34.62 C ATOM 444 CG GLN B 28 19.505 10.508 5.423 1.00 36.02 C ATOM 445 CD GLN B 28 20.266 9.392 6.144 1.00 37.50 C ATOM 446 OE1 GLN B 28 20.970 8.588 5.514 1.00 41.77 O ATOM 447 NE2 GLN B 28 20.120 9.332 7.471 1.00 38.78 N ATOM 448 HA GLN B 28 19.164 13.023 4.409 1.00 0.00 H ATOM 449 HB2 GLN B 28 20.642 10.493 3.628 1.00 0.00 H ATOM 450 HB3 GLN B 28 21.261 11.580 4.893 1.00 0.00 H ATOM 451 HG2 GLN B 28 19.168 11.236 6.161 1.00 0.00 H ATOM 452 HG3 GLN B 28 18.640 10.075 4.921 1.00 0.00 H ATOM 453 HE22 GLN B 28 19.520 10.026 7.960 1.00 0.00 H ATOM 454 HE21 GLN B 28 20.607 8.591 8.015 1.00 0.00 H ATOM 455 H GLN B 28 18.556 10.948 2.568 1.00 0.00 H ATOM 456 N ILE B 29 21.318 12.786 1.914 1.00 32.51 N ATOM 457 CA ILE B 29 22.349 13.490 1.175 1.00 31.72 C ATOM 458 C ILE B 29 21.784 14.828 0.717 1.00 31.61 C ATOM 459 O ILE B 29 22.412 15.862 0.890 1.00 31.83 O ATOM 460 CB ILE B 29 22.880 12.643 -0.029 1.00 31.68 C ATOM 461 CG1 ILE B 29 23.603 11.385 0.480 1.00 30.98 C ATOM 462 CG2 ILE B 29 23.801 13.478 -0.922 1.00 30.17 C ATOM 463 CD1 ILE B 29 23.796 10.320 -0.563 1.00 30.15 C ATOM 464 HA ILE B 29 23.208 13.661 1.824 1.00 0.00 H ATOM 465 HB ILE B 29 22.027 12.330 -0.631 1.00 0.00 H ATOM 466 HG12 ILE B 29 24.584 11.681 0.852 1.00 0.00 H ATOM 467 HG13 ILE B 29 23.019 10.962 1.297 1.00 0.00 H ATOM 468 HD11 ILE B 29 22.824 10.001 -0.939 1.00 0.00 H ATOM 469 HD12 ILE B 29 24.390 10.721 -1.384 1.00 0.00 H ATOM 470 HD13 ILE B 29 24.313 9.469 -0.120 1.00 0.00 H ATOM 471 HG21 ILE B 29 23.249 14.334 -1.312 1.00 0.00 H ATOM 472 HG22 ILE B 29 24.652 13.828 -0.338 1.00 0.00 H ATOM 473 HG23 ILE B 29 24.155 12.865 -1.750 1.00 0.00 H ATOM 474 H ILE B 29 20.965 11.881 1.544 1.00 0.00 H ATOM 475 N THR B 30 20.582 14.792 0.151 1.00 31.81 N ATOM 476 CA THR B 30 19.915 15.981 -0.375 1.00 32.09 C ATOM 477 C THR B 30 19.642 17.064 0.696 1.00 32.01 C ATOM 478 O THR B 30 19.897 18.260 0.465 1.00 32.48 O ATOM 479 CB THR B 30 18.598 15.574 -1.077 1.00 32.74 C ATOM 480 OG1 THR B 30 18.898 14.673 -2.165 1.00 32.20 O ATOM 481 CG2 THR B 30 17.843 16.802 -1.584 1.00 31.45 C ATOM 482 HA THR B 30 20.600 16.433 -1.092 1.00 0.00 H ATOM 483 HB THR B 30 17.954 15.069 -0.357 1.00 0.00 H ATOM 484 HG1 THR B 30 18.057 14.411 -2.616 1.00 0.00 H ATOM 485 HG23 THR B 30 17.628 17.466 -0.747 1.00 0.00 H ATOM 486 HG21 THR B 30 18.456 17.326 -2.317 1.00 0.00 H ATOM 487 HG22 THR B 30 16.909 16.486 -2.048 1.00 0.00 H ATOM 488 H THR B 30 20.094 13.876 0.079 1.00 0.00 H ATOM 489 N LYS B 31 19.114 16.649 1.844 1.00 31.16 N ATOM 490 CA LYS B 31 18.887 17.563 2.960 1.00 31.14 C ATOM 491 C LYS B 31 20.182 18.213 3.425 1.00 30.78 C ATOM 492 O LYS B 31 20.189 19.397 3.744 1.00 30.25 O ATOM 493 CB LYS B 31 18.215 16.841 4.139 1.00 31.77 C ATOM 494 CG LYS B 31 16.730 16.552 3.897 1.00 32.27 C ATOM 495 CD LYS B 31 16.197 15.547 4.913 1.00 34.09 C ATOM 496 CE LYS B 31 14.683 15.419 4.795 1.00 35.27 C ATOM 497 NZ LYS B 31 14.187 14.302 5.655 1.00 37.08 N ATOM 498 HA LYS B 31 18.220 18.346 2.599 1.00 0.00 H ATOM 499 HB2 LYS B 31 18.730 15.895 4.307 1.00 0.00 H ATOM 500 HB3 LYS B 31 18.307 17.466 5.027 1.00 0.00 H ATOM 501 HG2 LYS B 31 16.167 17.481 3.985 1.00 0.00 H ATOM 502 HG3 LYS B 31 16.604 16.146 2.893 1.00 0.00 H ATOM 503 HD2 LYS B 31 16.655 14.575 4.730 1.00 0.00 H ATOM 504 HD3 LYS B 31 16.451 15.884 5.918 1.00 0.00 H ATOM 505 HE2 LYS B 31 14.419 15.218 3.757 1.00 0.00 H ATOM 506 HE3 LYS B 31 14.217 16.352 5.113 1.00 0.00 H ATOM 507 HZ1 LYS B 31 14.628 13.410 5.351 1.00 0.00 H ATOM 508 HZ2 LYS B 31 14.435 14.493 6.647 1.00 0.00 H ATOM 509 HZ3 LYS B 31 13.154 14.228 5.563 1.00 0.00 H ATOM 510 H LYS B 31 18.856 15.647 1.950 1.00 0.00 H ATOM 511 N ALA B 32 21.272 17.437 3.461 1.00 30.39 N ATOM 512 CA ALA B 32 22.581 17.966 3.855 1.00 30.42 C ATOM 513 C ALA B 32 23.081 19.056 2.889 1.00 30.35 C ATOM 514 O ALA B 32 23.627 20.068 3.319 1.00 30.12 O ATOM 515 CB ALA B 32 23.629 16.815 4.012 1.00 30.27 C ATOM 516 HA ALA B 32 22.457 18.441 4.828 1.00 0.00 H ATOM 517 HB1 ALA B 32 23.289 16.118 4.778 1.00 0.00 H ATOM 518 HB2 ALA B 32 23.736 16.290 3.063 1.00 0.00 H ATOM 519 HB3 ALA B 32 24.590 17.238 4.305 1.00 0.00 H ATOM 520 H ALA B 32 21.188 16.433 3.203 1.00 0.00 H ATOM 521 N ALA B 33 22.877 18.841 1.592 1.00 30.87 N ATOM 522 CA ALA B 33 23.286 19.783 0.558 1.00 31.66 C ATOM 523 C ALA B 33 22.498 21.084 0.642 1.00 32.11 C ATOM 524 O ALA B 33 23.060 22.169 0.474 1.00 31.98 O ATOM 525 CB ALA B 33 23.084 19.160 -0.825 1.00 32.32 C ATOM 526 HA ALA B 33 24.341 20.009 0.716 1.00 0.00 H ATOM 527 HB1 ALA B 33 23.685 18.254 -0.905 1.00 0.00 H ATOM 528 HB2 ALA B 33 22.031 18.912 -0.960 1.00 0.00 H ATOM 529 HB3 ALA B 33 23.392 19.871 -1.591 1.00 0.00 H ATOM 530 H ALA B 33 22.404 17.961 1.303 1.00 0.00 H ATOM 531 N ILE B 34 21.191 20.968 0.880 1.00 32.53 N ATOM 532 CA ILE B 34 20.324 22.139 0.970 1.00 33.04 C ATOM 533 C ILE B 34 20.705 22.964 2.202 1.00 32.99 C ATOM 534 O ILE B 34 20.747 24.184 2.136 1.00 32.45 O ATOM 535 CB ILE B 34 18.816 21.769 1.026 1.00 33.52 C ATOM 536 CG1 ILE B 34 18.385 20.977 -0.226 1.00 34.14 C ATOM 537 CG2 ILE B 34 17.944 23.026 1.243 1.00 33.12 C ATOM 538 CD1 ILE B 34 18.373 21.744 -1.521 1.00 35.93 C ATOM 539 HA ILE B 34 20.473 22.723 0.062 1.00 0.00 H ATOM 540 HB ILE B 34 18.662 21.115 1.885 1.00 0.00 H ATOM 541 HG12 ILE B 34 19.070 20.137 -0.342 1.00 0.00 H ATOM 542 HG13 ILE B 34 17.377 20.600 -0.052 1.00 0.00 H ATOM 543 HD11 ILE B 34 17.681 22.582 -1.439 1.00 0.00 H ATOM 544 HD12 ILE B 34 19.375 22.118 -1.729 1.00 0.00 H ATOM 545 HD13 ILE B 34 18.055 21.085 -2.329 1.00 0.00 H ATOM 546 HG21 ILE B 34 18.223 23.502 2.183 1.00 0.00 H ATOM 547 HG22 ILE B 34 18.103 23.723 0.420 1.00 0.00 H ATOM 548 HG23 ILE B 34 16.894 22.736 1.278 1.00 0.00 H ATOM 549 H ILE B 34 20.780 20.021 1.004 1.00 0.00 H ATOM 550 N LYS B 35 20.995 22.285 3.310 1.00 32.68 N ATOM 551 CA LYS B 35 21.397 22.962 4.546 1.00 33.33 C ATOM 552 C LYS B 35 22.716 23.712 4.365 1.00 33.01 C ATOM 553 O LYS B 35 22.935 24.742 4.994 1.00 32.53 O ATOM 554 CB LYS B 35 21.494 21.971 5.716 1.00 33.44 C ATOM 555 CG LYS B 35 20.134 21.591 6.270 1.00 35.55 C ATOM 556 CD LYS B 35 20.209 20.458 7.285 1.00 37.81 C ATOM 557 CE LYS B 35 18.814 19.876 7.519 1.00 38.56 C ATOM 558 NZ LYS B 35 18.885 18.630 8.340 1.00 40.52 N ATOM 559 HA LYS B 35 20.624 23.693 4.784 1.00 0.00 H ATOM 560 HB2 LYS B 35 21.995 21.068 5.369 1.00 0.00 H ATOM 561 HB3 LYS B 35 22.081 22.427 6.513 1.00 0.00 H ATOM 562 HG2 LYS B 35 19.698 22.465 6.754 1.00 0.00 H ATOM 563 HG3 LYS B 35 19.496 21.278 5.444 1.00 0.00 H ATOM 564 HD2 LYS B 35 20.868 19.677 6.907 1.00 0.00 H ATOM 565 HD3 LYS B 35 20.604 20.841 8.226 1.00 0.00 H ATOM 566 HE2 LYS B 35 18.358 19.644 6.557 1.00 0.00 H ATOM 567 HE3 LYS B 35 18.203 20.613 8.041 1.00 0.00 H ATOM 568 HZ1 LYS B 35 19.464 17.922 7.844 1.00 0.00 H ATOM 569 HZ2 LYS B 35 19.315 18.848 9.261 1.00 0.00 H ATOM 570 HZ3 LYS B 35 17.925 18.256 8.484 1.00 0.00 H ATOM 571 H LYS B 35 20.935 21.247 3.298 1.00 0.00 H ATOM 572 N ALA B 36 23.566 23.196 3.475 1.00 32.91 N ATOM 573 CA ALA B 36 24.862 23.807 3.156 1.00 33.08 C ATOM 574 C ALA B 36 24.783 24.800 1.991 1.00 33.11 C ATOM 575 O ALA B 36 25.793 25.095 1.347 1.00 33.33 O ATOM 576 CB ALA B 36 25.909 22.698 2.861 1.00 33.21 C ATOM 577 HA ALA B 36 25.172 24.382 4.029 1.00 0.00 H ATOM 578 HB1 ALA B 36 26.017 22.060 3.738 1.00 0.00 H ATOM 579 HB2 ALA B 36 25.574 22.100 2.014 1.00 0.00 H ATOM 580 HB3 ALA B 36 26.868 23.159 2.625 1.00 0.00 H ATOM 581 H ALA B 36 23.297 22.319 2.984 1.00 0.00 H ATOM 582 N ILE B 37 23.591 25.333 1.725 1.00 33.22 N ATOM 583 CA ILE B 37 23.387 26.173 0.539 1.00 33.25 C ATOM 584 C ILE B 37 24.278 27.413 0.484 1.00 33.07 C ATOM 585 O ILE B 37 24.632 27.853 -0.606 1.00 33.25 O ATOM 586 CB ILE B 37 21.896 26.529 0.292 1.00 33.43 C ATOM 587 CG1 ILE B 37 21.706 27.006 -1.154 1.00 33.99 C ATOM 588 CG2 ILE B 37 21.397 27.575 1.308 1.00 33.34 C ATOM 589 CD1 ILE B 37 20.491 26.436 -1.836 1.00 36.28 C ATOM 590 HA ILE B 37 23.708 25.541 -0.289 1.00 0.00 H ATOM 591 HB ILE B 37 21.292 25.633 0.438 1.00 0.00 H ATOM 592 HG12 ILE B 37 21.617 28.092 -1.147 1.00 0.00 H ATOM 593 HG13 ILE B 37 22.587 26.719 -1.728 1.00 0.00 H ATOM 594 HD11 ILE B 37 20.568 25.349 -1.864 1.00 0.00 H ATOM 595 HD12 ILE B 37 19.597 26.724 -1.283 1.00 0.00 H ATOM 596 HD13 ILE B 37 20.431 26.824 -2.853 1.00 0.00 H ATOM 597 HG21 ILE B 37 21.497 27.176 2.317 1.00 0.00 H ATOM 598 HG22 ILE B 37 21.992 28.483 1.214 1.00 0.00 H ATOM 599 HG23 ILE B 37 20.350 27.803 1.108 1.00 0.00 H ATOM 600 H ILE B 37 22.794 25.151 2.367 1.00 0.00 H ATOM 601 N LYS B 38 24.650 27.962 1.643 1.00 33.03 N ATOM 602 CA LYS B 38 25.592 29.090 1.695 1.00 33.00 C ATOM 603 C LYS B 38 26.884 28.733 0.946 1.00 32.71 C ATOM 604 O LYS B 38 27.555 29.601 0.377 1.00 32.29 O ATOM 605 CB LYS B 38 25.913 29.473 3.146 1.00 33.16 C ATOM 606 CG LYS B 38 26.862 30.679 3.299 1.00 33.12 C ATOM 607 CD LYS B 38 27.409 30.790 4.728 1.00 33.62 C ATOM 608 CE LYS B 38 28.585 31.765 4.804 1.00 36.17 C ATOM 609 NZ LYS B 38 29.129 31.935 6.196 1.00 36.98 N ATOM 610 HA LYS B 38 25.123 29.947 1.212 1.00 0.00 H ATOM 611 HB2 LYS B 38 24.976 29.712 3.650 1.00 0.00 H ATOM 612 HB3 LYS B 38 26.376 28.613 3.630 1.00 0.00 H ATOM 613 HG2 LYS B 38 27.697 30.562 2.608 1.00 0.00 H ATOM 614 HG3 LYS B 38 26.317 31.591 3.057 1.00 0.00 H ATOM 615 HD2 LYS B 38 26.614 31.142 5.386 1.00 0.00 H ATOM 616 HD3 LYS B 38 27.743 29.806 5.057 1.00 0.00 H ATOM 617 HE2 LYS B 38 28.252 32.738 4.441 1.00 0.00 H ATOM 618 HE3 LYS B 38 29.384 31.394 4.163 1.00 0.00 H ATOM 619 HZ1 LYS B 38 28.379 32.299 6.818 1.00 0.00 H ATOM 620 HZ2 LYS B 38 29.460 31.016 6.552 1.00 0.00 H ATOM 621 HZ3 LYS B 38 29.922 32.607 6.177 1.00 0.00 H ATOM 622 H LYS B 38 24.264 27.582 2.531 1.00 0.00 H ATOM 623 N PHE B 39 27.202 27.441 0.955 1.00 32.28 N ATOM 624 CA PHE B 39 28.416 26.908 0.361 1.00 32.39 C ATOM 625 C PHE B 39 28.102 26.017 -0.846 1.00 32.08 C ATOM 626 O PHE B 39 28.729 24.968 -1.038 1.00 31.36 O ATOM 627 CB PHE B 39 29.188 26.103 1.411 1.00 32.61 C ATOM 628 CG PHE B 39 29.444 26.854 2.707 1.00 33.59 C ATOM 629 CD1 PHE B 39 30.380 27.881 2.762 1.00 34.90 C ATOM 630 CD2 PHE B 39 28.756 26.514 3.871 1.00 34.08 C ATOM 631 CE1 PHE B 39 30.621 28.573 3.954 1.00 35.66 C ATOM 632 CE2 PHE B 39 28.985 27.200 5.077 1.00 33.97 C ATOM 633 CZ PHE B 39 29.923 28.227 5.117 1.00 34.83 C ATOM 634 HA PHE B 39 29.023 27.745 0.014 1.00 0.00 H ATOM 635 HB2 PHE B 39 28.615 25.205 1.643 1.00 0.00 H ATOM 636 HB3 PHE B 39 30.150 25.818 0.985 1.00 0.00 H ATOM 637 HD2 PHE B 39 28.028 25.703 3.846 1.00 0.00 H ATOM 638 HE2 PHE B 39 28.431 26.929 5.976 1.00 0.00 H ATOM 639 HZ PHE B 39 30.113 28.759 6.049 1.00 0.00 H ATOM 640 HE1 PHE B 39 31.352 29.381 3.977 1.00 0.00 H ATOM 641 HD1 PHE B 39 30.934 28.151 1.863 1.00 0.00 H ATOM 642 H PHE B 39 26.546 26.776 1.412 1.00 0.00 H ATOM 643 N TYR B 40 27.138 26.434 -1.664 1.00 32.05 N ATOM 644 CA TYR B 40 26.679 25.595 -2.792 1.00 32.04 C ATOM 645 C TYR B 40 27.817 25.304 -3.769 1.00 31.77 C ATOM 646 O TYR B 40 27.859 24.245 -4.367 1.00 31.16 O ATOM 647 CB TYR B 40 25.492 26.243 -3.524 1.00 32.30 C ATOM 648 CG TYR B 40 25.846 27.491 -4.311 1.00 32.88 C ATOM 649 CD1 TYR B 40 25.947 28.731 -3.686 1.00 32.67 C ATOM 650 CD2 TYR B 40 26.089 27.424 -5.686 1.00 34.31 C ATOM 651 CE1 TYR B 40 26.273 29.873 -4.416 1.00 34.35 C ATOM 652 CE2 TYR B 40 26.419 28.557 -6.414 1.00 33.70 C ATOM 653 CZ TYR B 40 26.508 29.769 -5.777 1.00 33.13 C ATOM 654 OH TYR B 40 26.830 30.888 -6.499 1.00 33.52 O ATOM 655 HA TYR B 40 26.342 24.647 -2.373 1.00 0.00 H ATOM 656 HB3 TYR B 40 24.738 26.509 -2.783 1.00 0.00 H ATOM 657 HB2 TYR B 40 25.076 25.510 -4.216 1.00 0.00 H ATOM 658 HD2 TYR B 40 26.018 26.463 -6.195 1.00 0.00 H ATOM 659 HE2 TYR B 40 26.606 28.485 -7.485 1.00 0.00 H ATOM 660 HE1 TYR B 40 26.342 30.841 -3.919 1.00 0.00 H ATOM 661 HD1 TYR B 40 25.769 28.810 -2.614 1.00 0.00 H ATOM 662 HH TYR B 40 26.853 31.673 -5.896 1.00 0.00 H ATOM 663 H TYR B 40 26.701 27.365 -1.507 1.00 0.00 H ATOM 664 N LYS B 41 28.753 26.240 -3.912 1.00 32.21 N ATOM 665 CA LYS B 41 29.889 26.019 -4.820 1.00 32.23 C ATOM 666 C LYS B 41 30.738 24.825 -4.354 1.00 32.62 C ATOM 667 O LYS B 41 31.189 24.015 -5.172 1.00 32.53 O ATOM 668 CB LYS B 41 30.745 27.272 -4.946 1.00 32.07 C ATOM 669 CG LYS B 41 30.064 28.475 -5.589 1.00 30.88 C ATOM 670 CD LYS B 41 31.044 29.657 -5.603 1.00 30.24 C ATOM 671 CE LYS B 41 30.413 30.907 -6.177 1.00 31.97 C ATOM 672 NZ LYS B 41 31.356 32.067 -6.064 1.00 33.82 N ATOM 673 HA LYS B 41 29.486 25.788 -5.806 1.00 0.00 H ATOM 674 HB2 LYS B 41 31.064 27.562 -3.945 1.00 0.00 H ATOM 675 HB3 LYS B 41 31.620 27.022 -5.546 1.00 0.00 H ATOM 676 HG2 LYS B 41 29.774 28.228 -6.610 1.00 0.00 H ATOM 677 HG3 LYS B 41 29.177 28.743 -5.015 1.00 0.00 H ATOM 678 HD2 LYS B 41 31.365 29.861 -4.581 1.00 0.00 H ATOM 679 HD3 LYS B 41 31.910 29.390 -6.208 1.00 0.00 H ATOM 680 HE2 LYS B 41 29.498 31.132 -5.629 1.00 0.00 H ATOM 681 HE3 LYS B 41 30.174 30.739 -7.227 1.00 0.00 H ATOM 682 HZ1 LYS B 41 31.584 32.231 -5.063 1.00 0.00 H ATOM 683 HZ2 LYS B 41 32.228 31.855 -6.589 1.00 0.00 H ATOM 684 HZ3 LYS B 41 30.908 32.917 -6.462 1.00 0.00 H ATOM 685 H LYS B 41 28.681 27.131 -3.380 1.00 0.00 H ATOM 686 N HIS B 42 30.936 24.722 -3.038 1.00 32.69 N ATOM 687 CA HIS B 42 31.694 23.622 -2.429 1.00 33.39 C ATOM 688 C HIS B 42 30.967 22.277 -2.521 1.00 32.93 C ATOM 689 O HIS B 42 31.607 21.237 -2.722 1.00 32.60 O ATOM 690 CB HIS B 42 32.010 23.953 -0.967 1.00 34.01 C ATOM 691 CG HIS B 42 32.956 25.095 -0.796 1.00 36.38 C ATOM 692 ND1 HIS B 42 32.536 26.409 -0.729 1.00 40.84 N ATOM 693 CD2 HIS B 42 34.306 25.125 -0.685 1.00 39.08 C ATOM 694 CE1 HIS B 42 33.586 27.196 -0.571 1.00 40.42 C ATOM 695 NE2 HIS B 42 34.672 26.443 -0.546 1.00 41.16 N ATOM 696 HA HIS B 42 32.620 23.519 -2.995 1.00 0.00 H ATOM 697 HB2 HIS B 42 31.077 24.201 -0.462 1.00 0.00 H ATOM 698 HB3 HIS B 42 32.450 23.070 -0.502 1.00 0.00 H ATOM 699 HD2 HIS B 42 34.976 24.266 -0.703 1.00 0.00 H ATOM 700 HE1 HIS B 42 33.561 28.282 -0.477 1.00 0.00 H ATOM 701 H HIS B 42 30.536 25.453 -2.416 1.00 0.00 H ATOM 702 N VAL B 43 29.635 22.309 -2.370 1.00 32.25 N ATOM 703 CA VAL B 43 28.768 21.144 -2.559 1.00 32.22 C ATOM 704 C VAL B 43 28.861 20.593 -3.991 1.00 32.79 C ATOM 705 O VAL B 43 29.024 19.387 -4.194 1.00 33.13 O ATOM 706 CB VAL B 43 27.261 21.476 -2.225 1.00 31.91 C ATOM 707 CG1 VAL B 43 26.329 20.311 -2.628 1.00 31.78 C ATOM 708 CG2 VAL B 43 27.089 21.792 -0.745 1.00 31.14 C ATOM 709 HA VAL B 43 29.123 20.383 -1.864 1.00 0.00 H ATOM 710 HB VAL B 43 26.984 22.356 -2.806 1.00 0.00 H ATOM 711 HG11 VAL B 43 26.417 20.131 -3.699 1.00 0.00 H ATOM 712 HG12 VAL B 43 26.617 19.412 -2.083 1.00 0.00 H ATOM 713 HG13 VAL B 43 25.299 20.571 -2.385 1.00 0.00 H ATOM 714 HG21 VAL B 43 27.398 20.931 -0.153 1.00 0.00 H ATOM 715 HG22 VAL B 43 27.704 22.653 -0.485 1.00 0.00 H ATOM 716 HG23 VAL B 43 26.042 22.017 -0.542 1.00 0.00 H ATOM 717 H VAL B 43 29.193 23.212 -2.104 1.00 0.00 H ATOM 718 N VAL B 44 28.757 21.481 -4.975 1.00 32.67 N ATOM 719 CA VAL B 44 28.892 21.095 -6.371 1.00 33.11 C ATOM 720 C VAL B 44 30.279 20.481 -6.616 1.00 33.62 C ATOM 721 O VAL B 44 30.386 19.410 -7.226 1.00 33.77 O ATOM 722 CB VAL B 44 28.632 22.292 -7.314 1.00 32.64 C ATOM 723 CG1 VAL B 44 29.005 21.940 -8.751 1.00 32.91 C ATOM 724 CG2 VAL B 44 27.159 22.721 -7.226 1.00 32.55 C ATOM 725 HA VAL B 44 28.137 20.342 -6.595 1.00 0.00 H ATOM 726 HB VAL B 44 29.259 23.126 -6.999 1.00 0.00 H ATOM 727 HG11 VAL B 44 30.062 21.679 -8.797 1.00 0.00 H ATOM 728 HG12 VAL B 44 28.405 21.093 -9.084 1.00 0.00 H ATOM 729 HG13 VAL B 44 28.813 22.798 -9.395 1.00 0.00 H ATOM 730 HG21 VAL B 44 26.521 21.887 -7.520 1.00 0.00 H ATOM 731 HG22 VAL B 44 26.928 23.014 -6.202 1.00 0.00 H ATOM 732 HG23 VAL B 44 26.987 23.565 -7.894 1.00 0.00 H ATOM 733 H VAL B 44 28.574 22.478 -4.741 1.00 0.00 H ATOM 734 N GLN B 45 31.316 21.157 -6.117 1.00 33.88 N ATOM 735 CA GLN B 45 32.695 20.672 -6.206 1.00 35.16 C ATOM 736 C GLN B 45 32.863 19.260 -5.617 1.00 34.93 C ATOM 737 O GLN B 45 33.482 18.395 -6.244 1.00 35.03 O ATOM 738 CB GLN B 45 33.659 21.652 -5.529 1.00 35.03 C ATOM 739 CG GLN B 45 35.134 21.250 -5.647 1.00 36.76 C ATOM 740 CD GLN B 45 36.056 22.160 -4.859 1.00 37.41 C ATOM 741 OE1 GLN B 45 36.075 22.139 -3.621 1.00 42.72 O ATOM 742 NE2 GLN B 45 36.844 22.959 -5.572 1.00 39.76 N ATOM 743 HA GLN B 45 32.939 20.608 -7.267 1.00 0.00 H ATOM 744 HB2 GLN B 45 33.532 22.632 -5.988 1.00 0.00 H ATOM 745 HB3 GLN B 45 33.402 21.712 -4.471 1.00 0.00 H ATOM 746 HG2 GLN B 45 35.248 20.232 -5.276 1.00 0.00 H ATOM 747 HG3 GLN B 45 35.422 21.287 -6.698 1.00 0.00 H ATOM 748 HE22 GLN B 45 36.796 22.945 -6.611 1.00 0.00 H ATOM 749 HE21 GLN B 45 37.509 23.598 -5.091 1.00 0.00 H ATOM 750 H GLN B 45 31.137 22.066 -5.645 1.00 0.00 H ATOM 751 N SER B 46 32.317 19.034 -4.420 1.00 34.78 N ATOM 752 CA SER B 46 32.380 17.711 -3.783 1.00 34.66 C ATOM 753 C SER B 46 31.660 16.638 -4.603 1.00 34.09 C ATOM 754 O SER B 46 32.196 15.558 -4.781 1.00 34.13 O ATOM 755 CB SER B 46 31.837 17.738 -2.356 1.00 34.41 C ATOM 756 OG SER B 46 32.635 18.575 -1.536 1.00 35.90 O ATOM 757 HA SER B 46 33.437 17.447 -3.741 1.00 0.00 H ATOM 758 HB2 SER B 46 31.844 16.726 -1.950 1.00 0.00 H ATOM 759 HB3 SER B 46 30.815 18.116 -2.368 1.00 0.00 H ATOM 760 HG SER B 46 32.269 18.580 -0.616 1.00 0.00 H ATOM 761 H SER B 46 31.836 19.813 -3.926 1.00 0.00 H ATOM 762 N VAL B 47 30.467 16.937 -5.116 1.00 33.93 N ATOM 763 CA VAL B 47 29.742 15.974 -5.967 1.00 33.49 C ATOM 764 C VAL B 47 30.541 15.622 -7.227 1.00 33.39 C ATOM 765 O VAL B 47 30.637 14.454 -7.601 1.00 33.02 O ATOM 766 CB VAL B 47 28.302 16.450 -6.316 1.00 34.35 C ATOM 767 CG1 VAL B 47 27.634 15.531 -7.371 1.00 33.86 C ATOM 768 CG2 VAL B 47 27.444 16.524 -5.057 1.00 34.24 C ATOM 769 HA VAL B 47 29.633 15.062 -5.380 1.00 0.00 H ATOM 770 HB VAL B 47 28.382 17.447 -6.749 1.00 0.00 H ATOM 771 HG11 VAL B 47 28.229 15.537 -8.284 1.00 0.00 H ATOM 772 HG12 VAL B 47 27.575 14.515 -6.981 1.00 0.00 H ATOM 773 HG13 VAL B 47 26.630 15.898 -7.587 1.00 0.00 H ATOM 774 HG21 VAL B 47 27.390 15.537 -4.597 1.00 0.00 H ATOM 775 HG22 VAL B 47 27.890 17.229 -4.356 1.00 0.00 H ATOM 776 HG23 VAL B 47 26.441 16.859 -5.322 1.00 0.00 H ATOM 777 H VAL B 47 30.040 17.864 -4.913 1.00 0.00 H ATOM 778 N GLU B 48 31.110 16.638 -7.874 1.00 33.41 N ATOM 779 CA GLU B 48 31.927 16.439 -9.070 1.00 33.93 C ATOM 780 C GLU B 48 33.211 15.652 -8.770 1.00 33.64 C ATOM 781 O GLU B 48 33.582 14.775 -9.545 1.00 33.66 O ATOM 782 CB GLU B 48 32.241 17.788 -9.730 1.00 33.90 C ATOM 783 CG GLU B 48 30.996 18.446 -10.333 1.00 34.55 C ATOM 784 CD GLU B 48 31.256 19.850 -10.876 1.00 34.99 C ATOM 785 OE1 GLU B 48 32.376 20.378 -10.703 1.00 36.46 O ATOM 786 OE2 GLU B 48 30.325 20.428 -11.472 1.00 35.97 O ATOM 787 HA GLU B 48 31.349 15.836 -9.770 1.00 0.00 H ATOM 788 HB2 GLU B 48 32.662 18.456 -8.979 1.00 0.00 H ATOM 789 HB3 GLU B 48 32.972 17.629 -10.523 1.00 0.00 H ATOM 790 HG2 GLU B 48 30.635 17.821 -11.150 1.00 0.00 H ATOM 791 HG3 GLU B 48 30.230 18.510 -9.560 1.00 0.00 H ATOM 792 H GLU B 48 30.968 17.604 -7.517 1.00 0.00 H ATOM 793 N LYS B 49 33.864 15.966 -7.644 1.00 33.28 N ATOM 794 CA LYS B 49 35.037 15.228 -7.166 1.00 33.41 C ATOM 795 C LYS B 49 34.691 13.751 -6.934 1.00 33.04 C ATOM 796 O LYS B 49 35.433 12.854 -7.341 1.00 33.08 O ATOM 797 CB LYS B 49 35.546 15.866 -5.865 1.00 33.42 C ATOM 798 CG LYS B 49 36.958 15.485 -5.432 1.00 34.05 C ATOM 799 CD LYS B 49 37.260 16.097 -4.053 1.00 33.98 C ATOM 800 CE LYS B 49 38.588 15.617 -3.478 1.00 34.51 C ATOM 801 NZ LYS B 49 39.754 16.441 -3.917 1.00 35.09 N ATOM 802 HA LYS B 49 35.819 15.277 -7.923 1.00 0.00 H ATOM 803 HB2 LYS B 49 35.518 16.948 -5.993 1.00 0.00 H ATOM 804 HB3 LYS B 49 34.864 15.578 -5.065 1.00 0.00 H ATOM 805 HG2 LYS B 49 37.039 14.400 -5.373 1.00 0.00 H ATOM 806 HG3 LYS B 49 37.675 15.862 -6.161 1.00 0.00 H ATOM 807 HD2 LYS B 49 37.294 17.182 -4.152 1.00 0.00 H ATOM 808 HD3 LYS B 49 36.461 15.821 -3.365 1.00 0.00 H ATOM 809 HE2 LYS B 49 38.752 14.588 -3.797 1.00 0.00 H ATOM 810 HE3 LYS B 49 38.528 15.654 -2.390 1.00 0.00 H ATOM 811 HZ1 LYS B 49 39.830 16.407 -4.954 1.00 0.00 H ATOM 812 HZ2 LYS B 49 39.617 17.425 -3.610 1.00 0.00 H ATOM 813 HZ3 LYS B 49 40.624 16.062 -3.492 1.00 0.00 H ATOM 814 H LYS B 49 33.523 16.772 -7.082 1.00 0.00 H ATOM 815 N PHE B 50 33.556 13.511 -6.265 1.00 32.76 N ATOM 816 CA PHE B 50 33.070 12.141 -6.015 1.00 32.22 C ATOM 817 C PHE B 50 32.840 11.361 -7.318 1.00 32.16 C ATOM 818 O PHE B 50 33.257 10.201 -7.454 1.00 31.56 O ATOM 819 CB PHE B 50 31.771 12.146 -5.184 1.00 32.04 C ATOM 820 CG PHE B 50 31.170 10.758 -4.969 1.00 30.57 C ATOM 821 CD1 PHE B 50 30.293 10.203 -5.902 1.00 31.43 C ATOM 822 CD2 PHE B 50 31.479 10.025 -3.836 1.00 32.37 C ATOM 823 CE1 PHE B 50 29.739 8.933 -5.703 1.00 32.24 C ATOM 824 CE2 PHE B 50 30.936 8.747 -3.628 1.00 32.23 C ATOM 825 CZ PHE B 50 30.073 8.203 -4.557 1.00 31.64 C ATOM 826 HA PHE B 50 33.854 11.639 -5.448 1.00 0.00 H ATOM 827 HB2 PHE B 50 31.989 12.581 -4.209 1.00 0.00 H ATOM 828 HB3 PHE B 50 31.035 12.763 -5.700 1.00 0.00 H ATOM 829 HD2 PHE B 50 32.155 10.447 -3.093 1.00 0.00 H ATOM 830 HE2 PHE B 50 31.196 8.184 -2.732 1.00 0.00 H ATOM 831 HZ PHE B 50 29.653 7.209 -4.399 1.00 0.00 H ATOM 832 HE1 PHE B 50 29.051 8.515 -6.437 1.00 0.00 H ATOM 833 HD1 PHE B 50 30.036 10.767 -6.799 1.00 0.00 H ATOM 834 H PHE B 50 33.000 14.315 -5.911 1.00 0.00 H ATOM 835 N ILE B 51 32.136 11.989 -8.255 1.00 32.05 N ATOM 836 CA ILE B 51 31.848 11.371 -9.541 1.00 32.58 C ATOM 837 C ILE B 51 33.149 11.066 -10.299 1.00 33.18 C ATOM 838 O ILE B 51 33.250 10.053 -10.988 1.00 33.44 O ATOM 839 CB ILE B 51 30.890 12.261 -10.387 1.00 32.50 C ATOM 840 CG1 ILE B 51 29.446 12.127 -9.870 1.00 32.49 C ATOM 841 CG2 ILE B 51 31.012 11.949 -11.885 1.00 31.10 C ATOM 842 CD1 ILE B 51 28.520 13.209 -10.349 1.00 33.04 C ATOM 843 HA ILE B 51 31.338 10.425 -9.359 1.00 0.00 H ATOM 844 HB ILE B 51 31.184 13.304 -10.270 1.00 0.00 H ATOM 845 HG12 ILE B 51 29.051 11.167 -10.201 1.00 0.00 H ATOM 846 HG13 ILE B 51 29.468 12.153 -8.781 1.00 0.00 H ATOM 847 HD11 ILE B 51 28.892 14.178 -10.016 1.00 0.00 H ATOM 848 HD12 ILE B 51 28.475 13.191 -11.438 1.00 0.00 H ATOM 849 HD13 ILE B 51 27.524 13.041 -9.940 1.00 0.00 H ATOM 850 HG21 ILE B 51 32.035 12.134 -12.211 1.00 0.00 H ATOM 851 HG22 ILE B 51 30.758 10.904 -12.059 1.00 0.00 H ATOM 852 HG23 ILE B 51 30.329 12.588 -12.445 1.00 0.00 H ATOM 853 H ILE B 51 31.781 12.948 -8.064 1.00 0.00 H ATOM 854 N GLN B 52 34.135 11.945 -10.167 1.00 34.07 N ATOM 855 CA GLN B 52 35.415 11.768 -10.846 1.00 35.09 C ATOM 856 C GLN B 52 36.173 10.555 -10.308 1.00 34.92 C ATOM 857 O GLN B 52 36.738 9.786 -11.085 1.00 34.52 O ATOM 858 CB GLN B 52 36.272 13.032 -10.708 1.00 35.55 C ATOM 859 CG GLN B 52 37.553 13.009 -11.539 1.00 38.58 C ATOM 860 CD GLN B 52 38.657 13.864 -10.943 1.00 42.31 C ATOM 861 OE1 GLN B 52 38.396 14.815 -10.203 1.00 44.46 O ATOM 862 NE2 GLN B 52 39.904 13.526 -11.261 1.00 44.42 N ATOM 863 HA GLN B 52 35.208 11.591 -11.901 1.00 0.00 H ATOM 864 HB2 GLN B 52 35.674 13.887 -11.023 1.00 0.00 H ATOM 865 HB3 GLN B 52 36.546 13.148 -9.659 1.00 0.00 H ATOM 866 HG2 GLN B 52 37.907 11.980 -11.606 1.00 0.00 H ATOM 867 HG3 GLN B 52 37.327 13.380 -12.539 1.00 0.00 H ATOM 868 HE22 GLN B 52 40.079 12.716 -11.889 1.00 0.00 H ATOM 869 HE21 GLN B 52 40.704 14.072 -10.881 1.00 0.00 H ATOM 870 H GLN B 52 33.992 12.781 -9.565 1.00 0.00 H ATOM 871 N LYS B 53 36.159 10.386 -8.981 1.00 35.04 N ATOM 872 CA LYS B 53 36.988 9.383 -8.298 1.00 35.83 C ATOM 873 C LYS B 53 36.297 8.058 -7.929 1.00 35.26 C ATOM 874 O LYS B 53 36.975 7.069 -7.696 1.00 35.03 O ATOM 875 CB LYS B 53 37.614 9.986 -7.033 1.00 35.70 C ATOM 876 CG LYS B 53 38.616 11.089 -7.300 1.00 37.67 C ATOM 877 CD LYS B 53 39.290 11.562 -6.015 1.00 37.77 C ATOM 878 CE LYS B 53 40.694 12.088 -6.317 1.00 40.43 C ATOM 879 NZ LYS B 53 41.562 12.211 -5.102 1.00 42.36 N ATOM 880 HA LYS B 53 37.739 9.117 -9.042 1.00 0.00 H ATOM 881 HB2 LYS B 53 36.813 10.394 -6.416 1.00 0.00 H ATOM 882 HB3 LYS B 53 38.120 9.189 -6.489 1.00 0.00 H ATOM 883 HG2 LYS B 53 39.379 10.716 -7.983 1.00 0.00 H ATOM 884 HG3 LYS B 53 38.100 11.932 -7.760 1.00 0.00 H ATOM 885 HD2 LYS B 53 38.695 12.359 -5.568 1.00 0.00 H ATOM 886 HD3 LYS B 53 39.360 10.728 -5.317 1.00 0.00 H ATOM 887 HE2 LYS B 53 40.602 13.072 -6.777 1.00 0.00 H ATOM 888 HE3 LYS B 53 41.175 11.405 -7.017 1.00 0.00 H ATOM 889 HZ1 LYS B 53 41.121 12.869 -4.428 1.00 0.00 H ATOM 890 HZ2 LYS B 53 41.668 11.277 -4.657 1.00 0.00 H ATOM 891 HZ3 LYS B 53 42.497 12.572 -5.380 1.00 0.00 H ATOM 892 H LYS B 53 35.535 10.990 -8.409 1.00 0.00 H ATOM 893 N CYS B 54 34.966 8.035 -7.856 1.00 34.77 N ATOM 894 CA CYS B 54 34.256 6.844 -7.353 1.00 34.28 C ATOM 895 C CYS B 54 34.391 5.610 -8.244 1.00 34.35 C ATOM 896 O CYS B 54 34.717 5.715 -9.436 1.00 33.70 O ATOM 897 CB CYS B 54 32.777 7.137 -7.150 1.00 34.42 C ATOM 898 SG CYS B 54 31.898 7.370 -8.702 1.00 34.17 S ATOM 899 HA CYS B 54 34.739 6.613 -6.404 1.00 0.00 H ATOM 900 HB2 CYS B 54 32.679 8.044 -6.554 1.00 0.00 H ATOM 901 HB3 CYS B 54 32.326 6.302 -6.615 1.00 0.00 H ATOM 902 HG CYS B 54 32.003 6.225 -9.465 1.00 0.00 H ATOM 903 H CYS B 54 34.421 8.868 -8.158 1.00 0.00 H ATOM 904 N LYS B 55 34.117 4.447 -7.655 1.00 34.02 N ATOM 905 CA LYS B 55 34.051 3.189 -8.401 1.00 34.43 C ATOM 906 C LYS B 55 32.980 3.288 -9.493 1.00 34.25 C ATOM 907 O LYS B 55 32.031 4.080 -9.357 1.00 34.22 O ATOM 908 CB LYS B 55 33.753 2.021 -7.446 1.00 34.49 C ATOM 909 CG LYS B 55 34.723 1.923 -6.262 1.00 35.38 C ATOM 910 CD LYS B 55 34.525 0.649 -5.472 1.00 35.45 C ATOM 911 CE LYS B 55 35.454 0.626 -4.270 1.00 39.01 C ATOM 912 NZ LYS B 55 35.658 -0.749 -3.709 1.00 39.40 N ATOM 913 HA LYS B 55 35.014 3.002 -8.876 1.00 0.00 H ATOM 914 HB2 LYS B 55 32.744 2.147 -7.054 1.00 0.00 H ATOM 915 HB3 LYS B 55 33.808 1.091 -8.013 1.00 0.00 H ATOM 916 HG2 LYS B 55 35.745 1.947 -6.641 1.00 0.00 H ATOM 917 HG3 LYS B 55 34.561 2.775 -5.602 1.00 0.00 H ATOM 918 HD2 LYS B 55 33.492 0.594 -5.130 1.00 0.00 H ATOM 919 HD3 LYS B 55 34.741 -0.208 -6.110 1.00 0.00 H ATOM 920 HE2 LYS B 55 35.029 1.259 -3.491 1.00 0.00 H ATOM 921 HE3 LYS B 55 36.422 1.025 -4.572 1.00 0.00 H ATOM 922 HZ1 LYS B 55 34.742 -1.138 -3.407 1.00 0.00 H ATOM 923 HZ2 LYS B 55 36.073 -1.362 -4.440 1.00 0.00 H ATOM 924 HZ3 LYS B 55 36.300 -0.697 -2.893 1.00 0.00 H ATOM 925 H LYS B 55 33.944 4.432 -6.630 1.00 0.00 H ATOM 926 N PRO B 56 33.140 2.525 -10.594 1.00 34.01 N ATOM 927 CA PRO B 56 32.134 2.543 -11.672 1.00 34.09 C ATOM 928 C PRO B 56 30.686 2.336 -11.204 1.00 33.95 C ATOM 929 O PRO B 56 29.797 3.001 -11.715 1.00 33.53 O ATOM 930 CB PRO B 56 32.589 1.415 -12.606 1.00 34.13 C ATOM 931 CG PRO B 56 34.094 1.361 -12.395 1.00 34.47 C ATOM 932 CD PRO B 56 34.283 1.641 -10.920 1.00 34.10 C ATOM 933 HA PRO B 56 32.094 3.524 -12.146 1.00 0.00 H ATOM 934 HD3 PRO B 56 34.243 0.720 -10.339 1.00 0.00 H ATOM 935 HD2 PRO B 56 35.232 2.145 -10.736 1.00 0.00 H ATOM 936 HG3 PRO B 56 34.595 2.118 -12.998 1.00 0.00 H ATOM 937 HG2 PRO B 56 34.484 0.376 -12.653 1.00 0.00 H ATOM 938 HB2 PRO B 56 32.123 0.469 -12.330 1.00 0.00 H ATOM 939 HB3 PRO B 56 32.349 1.648 -13.644 1.00 0.00 H ATOM 940 N GLU B 57 30.463 1.450 -10.228 1.00 34.19 N ATOM 941 CA GLU B 57 29.116 1.203 -9.675 1.00 34.23 C ATOM 942 C GLU B 57 28.452 2.421 -9.019 1.00 33.70 C ATOM 943 O GLU B 57 27.228 2.446 -8.848 1.00 33.55 O ATOM 944 CB GLU B 57 29.136 0.039 -8.676 1.00 34.57 C ATOM 945 CG GLU B 57 29.671 0.381 -7.280 1.00 34.78 C ATOM 946 CD GLU B 57 29.834 -0.849 -6.399 1.00 36.13 C ATOM 947 OE1 GLU B 57 29.017 -1.792 -6.528 1.00 38.73 O ATOM 948 OE2 GLU B 57 30.794 -0.888 -5.589 1.00 38.85 O ATOM 949 HA GLU B 57 28.508 0.953 -10.545 1.00 0.00 H ATOM 950 HB2 GLU B 57 28.115 -0.327 -8.565 1.00 0.00 H ATOM 951 HB3 GLU B 57 29.761 -0.751 -9.092 1.00 0.00 H ATOM 952 HG2 GLU B 57 30.641 0.866 -7.387 1.00 0.00 H ATOM 953 HG3 GLU B 57 28.975 1.067 -6.797 1.00 0.00 H ATOM 954 H GLU B 57 31.268 0.915 -9.844 1.00 0.00 H ATOM 955 N TYR B 58 29.250 3.419 -8.635 1.00 32.79 N ATOM 956 CA TYR B 58 28.703 4.603 -7.982 1.00 32.48 C ATOM 957 C TYR B 58 28.519 5.805 -8.918 1.00 32.49 C ATOM 958 O TYR B 58 28.125 6.870 -8.459 1.00 32.11 O ATOM 959 CB TYR B 58 29.538 4.995 -6.745 1.00 32.27 C ATOM 960 CG TYR B 58 29.468 3.991 -5.607 1.00 31.43 C ATOM 961 CD1 TYR B 58 28.304 3.835 -4.858 1.00 30.87 C ATOM 962 CD2 TYR B 58 30.559 3.192 -5.297 1.00 30.61 C ATOM 963 CE1 TYR B 58 28.231 2.906 -3.830 1.00 30.06 C ATOM 964 CE2 TYR B 58 30.501 2.270 -4.269 1.00 31.12 C ATOM 965 CZ TYR B 58 29.334 2.133 -3.533 1.00 30.70 C ATOM 966 OH TYR B 58 29.278 1.209 -2.515 1.00 30.37 O ATOM 967 HA TYR B 58 27.701 4.319 -7.660 1.00 0.00 H ATOM 968 HB3 TYR B 58 29.176 5.955 -6.378 1.00 0.00 H ATOM 969 HB2 TYR B 58 30.579 5.094 -7.052 1.00 0.00 H ATOM 970 HD2 TYR B 58 31.478 3.293 -5.874 1.00 0.00 H ATOM 971 HE2 TYR B 58 31.369 1.653 -4.038 1.00 0.00 H ATOM 972 HE1 TYR B 58 27.309 2.788 -3.261 1.00 0.00 H ATOM 973 HD1 TYR B 58 27.435 4.454 -5.083 1.00 0.00 H ATOM 974 HH TYR B 58 28.383 1.238 -2.094 1.00 0.00 H ATOM 975 H TYR B 58 30.274 3.352 -8.803 1.00 0.00 H ATOM 976 N LYS B 59 28.791 5.640 -10.218 1.00 33.05 N ATOM 977 CA LYS B 59 28.640 6.759 -11.182 1.00 33.28 C ATOM 978 C LYS B 59 27.180 7.203 -11.233 1.00 33.55 C ATOM 979 O LYS B 59 26.863 8.376 -11.015 1.00 33.89 O ATOM 980 CB LYS B 59 29.103 6.376 -12.603 1.00 33.11 C ATOM 981 CG LYS B 59 30.585 6.019 -12.770 1.00 32.20 C ATOM 982 CD LYS B 59 31.520 7.164 -12.373 1.00 30.63 C ATOM 983 CE LYS B 59 32.976 6.750 -12.548 1.00 32.17 C ATOM 984 NZ LYS B 59 33.905 7.640 -11.813 1.00 33.60 N ATOM 985 HA LYS B 59 29.275 7.573 -10.833 1.00 0.00 H ATOM 986 HB2 LYS B 59 28.517 5.514 -12.921 1.00 0.00 H ATOM 987 HB3 LYS B 59 28.890 7.220 -13.259 1.00 0.00 H ATOM 988 HG2 LYS B 59 30.808 5.154 -12.145 1.00 0.00 H ATOM 989 HG3 LYS B 59 30.767 5.767 -13.815 1.00 0.00 H ATOM 990 HD2 LYS B 59 31.315 8.030 -13.003 1.00 0.00 H ATOM 991 HD3 LYS B 59 31.344 7.426 -11.330 1.00 0.00 H ATOM 992 HE2 LYS B 59 33.225 6.782 -13.609 1.00 0.00 H ATOM 993 HE3 LYS B 59 33.098 5.732 -12.178 1.00 0.00 H ATOM 994 HZ1 LYS B 59 33.801 8.613 -12.164 1.00 0.00 H ATOM 995 HZ2 LYS B 59 33.681 7.611 -10.798 1.00 0.00 H ATOM 996 HZ3 LYS B 59 34.883 7.318 -11.963 1.00 0.00 H ATOM 997 H LYS B 59 29.114 4.712 -10.559 1.00 0.00 H ATOM 998 N VAL B 60 26.293 6.254 -11.515 1.00 33.28 N ATOM 999 CA VAL B 60 24.853 6.541 -11.559 1.00 33.30 C ATOM 1000 C VAL B 60 24.286 7.091 -10.219 1.00 32.77 C ATOM 1001 O VAL B 60 23.563 8.078 -10.223 1.00 33.17 O ATOM 1002 CB VAL B 60 24.043 5.314 -12.102 1.00 33.23 C ATOM 1003 CG1 VAL B 60 22.544 5.480 -11.845 1.00 33.29 C ATOM 1004 CG2 VAL B 60 24.301 5.131 -13.592 1.00 33.38 C ATOM 1005 HA VAL B 60 24.724 7.357 -12.271 1.00 0.00 H ATOM 1006 HB VAL B 60 24.381 4.426 -11.568 1.00 0.00 H ATOM 1007 HG11 VAL B 60 22.368 5.566 -10.773 1.00 0.00 H ATOM 1008 HG12 VAL B 60 22.188 6.380 -12.346 1.00 0.00 H ATOM 1009 HG13 VAL B 60 22.012 4.612 -12.234 1.00 0.00 H ATOM 1010 HG21 VAL B 60 23.990 6.029 -14.126 1.00 0.00 H ATOM 1011 HG22 VAL B 60 25.365 4.958 -13.757 1.00 0.00 H ATOM 1012 HG23 VAL B 60 23.732 4.275 -13.956 1.00 0.00 H ATOM 1013 H VAL B 60 26.626 5.288 -11.709 1.00 0.00 H ATOM 1014 N PRO B 61 24.586 6.450 -9.076 1.00 32.33 N ATOM 1015 CA PRO B 61 24.223 7.108 -7.805 1.00 32.10 C ATOM 1016 C PRO B 61 24.734 8.551 -7.658 1.00 32.08 C ATOM 1017 O PRO B 61 24.019 9.387 -7.105 1.00 31.75 O ATOM 1018 CB PRO B 61 24.857 6.193 -6.743 1.00 32.46 C ATOM 1019 CG PRO B 61 24.874 4.855 -7.389 1.00 31.60 C ATOM 1020 CD PRO B 61 25.166 5.118 -8.849 1.00 31.90 C ATOM 1021 HA PRO B 61 23.142 7.219 -7.723 1.00 0.00 H ATOM 1022 HD3 PRO B 61 26.239 5.122 -9.038 1.00 0.00 H ATOM 1023 HD2 PRO B 61 24.689 4.371 -9.484 1.00 0.00 H ATOM 1024 HG3 PRO B 61 23.908 4.364 -7.275 1.00 0.00 H ATOM 1025 HG2 PRO B 61 25.652 4.229 -6.951 1.00 0.00 H ATOM 1026 HB2 PRO B 61 25.868 6.521 -6.502 1.00 0.00 H ATOM 1027 HB3 PRO B 61 24.255 6.178 -5.834 1.00 0.00 H ATOM 1028 N GLY B 62 25.936 8.849 -8.158 1.00 31.91 N ATOM 1029 CA GLY B 62 26.439 10.235 -8.179 1.00 31.79 C ATOM 1030 C GLY B 62 25.585 11.192 -9.014 1.00 32.27 C ATOM 1031 O GLY B 62 25.341 12.346 -8.625 1.00 31.21 O ATOM 1032 HA3 GLY B 62 27.449 10.228 -8.590 1.00 0.00 H ATOM 1033 HA2 GLY B 62 26.468 10.605 -7.154 1.00 0.00 H ATOM 1034 H GLY B 62 26.531 8.087 -8.541 1.00 0.00 H ATOM 1035 N LEU B 63 25.136 10.717 -10.172 1.00 32.25 N ATOM 1036 CA LEU B 63 24.191 11.473 -10.999 1.00 32.49 C ATOM 1037 C LEU B 63 22.821 11.648 -10.308 1.00 32.50 C ATOM 1038 O LEU B 63 22.185 12.694 -10.418 1.00 32.64 O ATOM 1039 CB LEU B 63 24.003 10.762 -12.349 1.00 32.28 C ATOM 1040 CG LEU B 63 22.875 11.284 -13.255 1.00 32.66 C ATOM 1041 CD1 LEU B 63 23.108 12.747 -13.660 1.00 33.83 C ATOM 1042 CD2 LEU B 63 22.759 10.417 -14.492 1.00 32.27 C ATOM 1043 HA LEU B 63 24.610 12.467 -11.152 1.00 0.00 H ATOM 1044 HB2 LEU B 63 24.938 10.850 -12.902 1.00 0.00 H ATOM 1045 HB3 LEU B 63 23.802 9.711 -12.143 1.00 0.00 H ATOM 1046 HG LEU B 63 21.944 11.237 -12.690 1.00 0.00 H ATOM 1047 HD21 LEU B 63 23.700 10.442 -15.041 1.00 0.00 H ATOM 1048 HD22 LEU B 63 22.536 9.392 -14.196 1.00 0.00 H ATOM 1049 HD23 LEU B 63 21.957 10.796 -15.126 1.00 0.00 H ATOM 1050 HD11 LEU B 63 23.148 13.368 -12.765 1.00 0.00 H ATOM 1051 HD12 LEU B 63 24.051 12.827 -14.202 1.00 0.00 H ATOM 1052 HD13 LEU B 63 22.291 13.080 -14.300 1.00 0.00 H ATOM 1053 H LEU B 63 25.464 9.786 -10.499 1.00 0.00 H ATOM 1054 N TYR B 64 22.364 10.609 -9.617 1.00 32.35 N ATOM 1055 CA TYR B 64 21.117 10.690 -8.860 1.00 32.95 C ATOM 1056 C TYR B 64 21.204 11.742 -7.745 1.00 33.14 C ATOM 1057 O TYR B 64 20.209 12.407 -7.430 1.00 33.84 O ATOM 1058 CB TYR B 64 20.727 9.314 -8.290 1.00 32.52 C ATOM 1059 CG TYR B 64 20.202 8.303 -9.303 1.00 32.86 C ATOM 1060 CD1 TYR B 64 19.830 8.688 -10.599 1.00 33.28 C ATOM 1061 CD2 TYR B 64 20.053 6.958 -8.953 1.00 32.84 C ATOM 1062 CE1 TYR B 64 19.352 7.744 -11.533 1.00 32.75 C ATOM 1063 CE2 TYR B 64 19.544 6.006 -9.876 1.00 34.00 C ATOM 1064 CZ TYR B 64 19.210 6.411 -11.163 1.00 33.26 C ATOM 1065 OH TYR B 64 18.709 5.490 -12.070 1.00 33.79 O ATOM 1066 HA TYR B 64 20.334 11.005 -9.550 1.00 0.00 H ATOM 1067 HB3 TYR B 64 19.952 9.470 -7.539 1.00 0.00 H ATOM 1068 HB2 TYR B 64 21.610 8.885 -7.816 1.00 0.00 H ATOM 1069 HD2 TYR B 64 20.333 6.633 -7.951 1.00 0.00 H ATOM 1070 HE2 TYR B 64 19.416 4.966 -9.577 1.00 0.00 H ATOM 1071 HE1 TYR B 64 19.094 8.060 -12.544 1.00 0.00 H ATOM 1072 HD1 TYR B 64 19.911 9.735 -10.890 1.00 0.00 H ATOM 1073 HH TYR B 64 18.526 5.943 -12.931 1.00 0.00 H ATOM 1074 H TYR B 64 22.905 9.721 -9.615 1.00 0.00 H ATOM 1075 N VAL B 65 22.384 11.875 -7.141 1.00 33.13 N ATOM 1076 CA VAL B 65 22.672 12.979 -6.193 1.00 33.30 C ATOM 1077 C VAL B 65 22.459 14.372 -6.832 1.00 33.69 C ATOM 1078 O VAL B 65 21.827 15.262 -6.225 1.00 33.96 O ATOM 1079 CB VAL B 65 24.103 12.860 -5.604 1.00 33.42 C ATOM 1080 CG1 VAL B 65 24.484 14.114 -4.791 1.00 32.45 C ATOM 1081 CG2 VAL B 65 24.221 11.580 -4.743 1.00 32.23 C ATOM 1082 HA VAL B 65 21.956 12.883 -5.377 1.00 0.00 H ATOM 1083 HB VAL B 65 24.807 12.787 -6.433 1.00 0.00 H ATOM 1084 HG11 VAL B 65 24.448 14.990 -5.439 1.00 0.00 H ATOM 1085 HG12 VAL B 65 23.780 14.240 -3.968 1.00 0.00 H ATOM 1086 HG13 VAL B 65 25.492 13.995 -4.394 1.00 0.00 H ATOM 1087 HG21 VAL B 65 23.501 11.625 -3.926 1.00 0.00 H ATOM 1088 HG22 VAL B 65 24.015 10.707 -5.362 1.00 0.00 H ATOM 1089 HG23 VAL B 65 25.230 11.509 -4.336 1.00 0.00 H ATOM 1090 H VAL B 65 23.131 11.179 -7.341 1.00 0.00 H ATOM 1091 N ILE B 66 22.978 14.563 -8.042 1.00 33.28 N ATOM 1092 CA ILE B 66 22.793 15.837 -8.763 1.00 33.41 C ATOM 1093 C ILE B 66 21.311 16.096 -9.013 1.00 33.48 C ATOM 1094 O ILE B 66 20.795 17.170 -8.687 1.00 33.67 O ATOM 1095 CB ILE B 66 23.542 15.838 -10.126 1.00 33.88 C ATOM 1096 CG1 ILE B 66 25.054 15.645 -9.901 1.00 32.62 C ATOM 1097 CG2 ILE B 66 23.199 17.126 -10.960 1.00 32.06 C ATOM 1098 CD1 ILE B 66 25.854 15.488 -11.184 1.00 33.80 C ATOM 1099 HA ILE B 66 23.208 16.626 -8.135 1.00 0.00 H ATOM 1100 HB ILE B 66 23.199 14.994 -10.725 1.00 0.00 H ATOM 1101 HG12 ILE B 66 25.435 16.513 -9.363 1.00 0.00 H ATOM 1102 HG13 ILE B 66 25.199 14.751 -9.294 1.00 0.00 H ATOM 1103 HD11 ILE B 66 25.495 14.616 -11.730 1.00 0.00 H ATOM 1104 HD12 ILE B 66 25.730 16.379 -11.799 1.00 0.00 H ATOM 1105 HD13 ILE B 66 26.908 15.357 -10.940 1.00 0.00 H ATOM 1106 HG21 ILE B 66 22.126 17.159 -11.151 1.00 0.00 H ATOM 1107 HG22 ILE B 66 23.496 18.011 -10.398 1.00 0.00 H ATOM 1108 HG23 ILE B 66 23.737 17.098 -11.907 1.00 0.00 H ATOM 1109 H ILE B 66 23.525 13.799 -8.488 1.00 0.00 H ATOM 1110 N ASP B 67 20.638 15.098 -9.584 1.00 33.33 N ATOM 1111 CA ASP B 67 19.214 15.156 -9.884 1.00 33.98 C ATOM 1112 C ASP B 67 18.395 15.486 -8.625 1.00 34.20 C ATOM 1113 O ASP B 67 17.509 16.357 -8.647 1.00 33.94 O ATOM 1114 CB ASP B 67 18.764 13.800 -10.454 1.00 34.07 C ATOM 1115 CG ASP B 67 17.284 13.765 -10.800 1.00 34.54 C ATOM 1116 OD1 ASP B 67 16.863 14.486 -11.733 1.00 36.52 O ATOM 1117 OD2 ASP B 67 16.543 13.013 -10.143 1.00 33.88 O ATOM 1118 HA ASP B 67 19.043 15.946 -10.615 1.00 0.00 H ATOM 1119 HB2 ASP B 67 19.338 13.595 -11.358 1.00 0.00 H ATOM 1120 HB3 ASP B 67 18.967 13.027 -9.713 1.00 0.00 H ATOM 1121 H ASP B 67 21.157 14.231 -9.829 1.00 0.00 H ATOM 1122 N SER B 68 18.695 14.773 -7.540 1.00 33.47 N ATOM 1123 CA SER B 68 17.966 14.922 -6.281 1.00 33.84 C ATOM 1124 C SER B 68 18.168 16.321 -5.687 1.00 33.12 C ATOM 1125 O SER B 68 17.200 16.978 -5.292 1.00 32.30 O ATOM 1126 CB SER B 68 18.411 13.852 -5.273 1.00 33.59 C ATOM 1127 OG SER B 68 17.510 13.776 -4.191 1.00 35.91 O ATOM 1128 HA SER B 68 16.905 14.791 -6.492 1.00 0.00 H ATOM 1129 HB2 SER B 68 19.402 14.106 -4.896 1.00 0.00 H ATOM 1130 HB3 SER B 68 18.451 12.884 -5.773 1.00 0.00 H ATOM 1131 HG SER B 68 17.817 13.081 -3.556 1.00 0.00 H ATOM 1132 H SER B 68 19.475 14.087 -7.590 1.00 0.00 H ATOM 1133 N ILE B 69 19.426 16.767 -5.652 1.00 32.72 N ATOM 1134 CA ILE B 69 19.763 18.093 -5.127 1.00 32.26 C ATOM 1135 C ILE B 69 19.077 19.187 -5.945 1.00 32.45 C ATOM 1136 O ILE B 69 18.422 20.068 -5.391 1.00 31.86 O ATOM 1137 CB ILE B 69 21.289 18.334 -5.116 1.00 32.92 C ATOM 1138 CG1 ILE B 69 21.968 17.498 -4.022 1.00 31.69 C ATOM 1139 CG2 ILE B 69 21.628 19.825 -4.890 1.00 32.31 C ATOM 1140 CD1 ILE B 69 23.535 17.599 -4.094 1.00 31.73 C ATOM 1141 HA ILE B 69 19.404 18.131 -4.098 1.00 0.00 H ATOM 1142 HB ILE B 69 21.663 18.031 -6.094 1.00 0.00 H ATOM 1143 HG12 ILE B 69 21.636 17.856 -3.048 1.00 0.00 H ATOM 1144 HG13 ILE B 69 21.676 16.455 -4.143 1.00 0.00 H ATOM 1145 HD11 ILE B 69 23.877 17.236 -5.063 1.00 0.00 H ATOM 1146 HD12 ILE B 69 23.837 18.639 -3.967 1.00 0.00 H ATOM 1147 HD13 ILE B 69 23.974 16.992 -3.302 1.00 0.00 H ATOM 1148 HG21 ILE B 69 21.191 20.421 -5.691 1.00 0.00 H ATOM 1149 HG22 ILE B 69 21.221 20.148 -3.932 1.00 0.00 H ATOM 1150 HG23 ILE B 69 22.710 19.954 -4.889 1.00 0.00 H ATOM 1151 H ILE B 69 20.189 16.156 -6.008 1.00 0.00 H ATOM 1152 N VAL B 70 19.224 19.109 -7.265 1.00 32.42 N ATOM 1153 CA VAL B 70 18.687 20.121 -8.161 1.00 33.21 C ATOM 1154 C VAL B 70 17.158 20.216 -8.045 1.00 33.26 C ATOM 1155 O VAL B 70 16.613 21.311 -7.907 1.00 32.52 O ATOM 1156 CB VAL B 70 19.158 19.928 -9.629 1.00 32.92 C ATOM 1157 CG1 VAL B 70 18.318 20.765 -10.577 1.00 34.96 C ATOM 1158 CG2 VAL B 70 20.625 20.350 -9.771 1.00 33.24 C ATOM 1159 HA VAL B 70 19.095 21.080 -7.841 1.00 0.00 H ATOM 1160 HB VAL B 70 19.047 18.874 -9.882 1.00 0.00 H ATOM 1161 HG11 VAL B 70 17.274 20.462 -10.499 1.00 0.00 H ATOM 1162 HG12 VAL B 70 18.413 21.818 -10.312 1.00 0.00 H ATOM 1163 HG13 VAL B 70 18.666 20.614 -11.599 1.00 0.00 H ATOM 1164 HG21 VAL B 70 20.728 21.400 -9.497 1.00 0.00 H ATOM 1165 HG22 VAL B 70 21.243 19.739 -9.113 1.00 0.00 H ATOM 1166 HG23 VAL B 70 20.944 20.210 -10.804 1.00 0.00 H ATOM 1167 H VAL B 70 19.738 18.300 -7.668 1.00 0.00 H ATOM 1168 N ARG B 71 16.485 19.065 -8.058 1.00 33.79 N ATOM 1169 CA ARG B 71 15.022 19.049 -7.997 1.00 34.79 C ATOM 1170 C ARG B 71 14.496 19.517 -6.645 1.00 33.84 C ATOM 1171 O ARG B 71 13.513 20.252 -6.585 1.00 34.35 O ATOM 1172 CB ARG B 71 14.463 17.679 -8.385 1.00 34.45 C ATOM 1173 CG ARG B 71 14.701 17.347 -9.878 1.00 36.92 C ATOM 1174 CD ARG B 71 13.830 16.186 -10.381 1.00 37.96 C ATOM 1175 NE ARG B 71 14.066 14.952 -9.634 1.00 44.47 N ATOM 1176 CZ ARG B 71 13.131 14.275 -8.968 1.00 47.55 C ATOM 1177 NH1 ARG B 71 11.873 14.693 -8.959 1.00 48.47 N ATOM 1178 NH2 ARG B 71 13.456 13.164 -8.312 1.00 49.72 N ATOM 1179 HA ARG B 71 14.663 19.768 -8.733 1.00 0.00 H ATOM 1180 HB2 ARG B 71 14.948 16.917 -7.775 1.00 0.00 H ATOM 1181 HB3 ARG B 71 13.391 17.670 -8.191 1.00 0.00 H ATOM 1182 HG2 ARG B 71 14.476 18.233 -10.471 1.00 0.00 H ATOM 1183 HG3 ARG B 71 15.749 17.079 -10.012 1.00 0.00 H ATOM 1184 HD2 ARG B 71 14.055 16.008 -11.433 1.00 0.00 H ATOM 1185 HD3 ARG B 71 12.781 16.464 -10.277 1.00 0.00 H ATOM 1186 HE ARG B 71 15.035 14.574 -9.621 1.00 0.00 H ATOM 1187 HH12 ARG B 71 11.151 14.158 -8.436 1.00 0.00 H ATOM 1188 HH11 ARG B 71 11.608 15.556 -9.475 1.00 0.00 H ATOM 1189 HH22 ARG B 71 12.727 12.635 -7.792 1.00 0.00 H ATOM 1190 HH21 ARG B 71 14.439 12.825 -8.319 1.00 0.00 H ATOM 1191 H ARG B 71 17.006 18.167 -8.112 1.00 0.00 H ATOM 1192 N GLN B 72 15.151 19.112 -5.566 1.00 33.31 N ATOM 1193 CA GLN B 72 14.753 19.584 -4.233 1.00 32.92 C ATOM 1194 C GLN B 72 14.918 21.100 -4.116 1.00 32.19 C ATOM 1195 O GLN B 72 14.032 21.789 -3.613 1.00 31.53 O ATOM 1196 CB GLN B 72 15.541 18.870 -3.131 1.00 33.07 C ATOM 1197 CG GLN B 72 15.233 19.363 -1.685 1.00 34.47 C ATOM 1198 CD GLN B 72 13.754 19.281 -1.312 1.00 37.78 C ATOM 1199 OE1 GLN B 72 13.026 18.398 -1.775 1.00 38.37 O ATOM 1200 NE2 GLN B 72 13.311 20.196 -0.453 1.00 38.86 N ATOM 1201 HA GLN B 72 13.698 19.343 -4.102 1.00 0.00 H ATOM 1202 HB2 GLN B 72 15.310 17.806 -3.183 1.00 0.00 H ATOM 1203 HB3 GLN B 72 16.604 19.020 -3.322 1.00 0.00 H ATOM 1204 HG2 GLN B 72 15.800 18.750 -0.984 1.00 0.00 H ATOM 1205 HG3 GLN B 72 15.553 20.401 -1.599 1.00 0.00 H ATOM 1206 HE22 GLN B 72 13.959 20.923 -0.087 1.00 0.00 H ATOM 1207 HE21 GLN B 72 12.317 20.184 -0.147 1.00 0.00 H ATOM 1208 H GLN B 72 15.952 18.456 -5.664 1.00 0.00 H ATOM 1209 N SER B 73 16.055 21.604 -4.592 1.00 31.62 N ATOM 1210 CA SER B 73 16.346 23.037 -4.563 1.00 31.66 C ATOM 1211 C SER B 73 15.321 23.851 -5.355 1.00 31.46 C ATOM 1212 O SER B 73 14.826 24.860 -4.872 1.00 31.85 O ATOM 1213 CB SER B 73 17.769 23.306 -5.064 1.00 31.21 C ATOM 1214 OG SER B 73 18.071 24.691 -5.029 1.00 32.01 O ATOM 1215 HA SER B 73 16.274 23.364 -3.526 1.00 0.00 H ATOM 1216 HB2 SER B 73 17.859 22.948 -6.090 1.00 0.00 H ATOM 1217 HB3 SER B 73 18.477 22.771 -4.430 1.00 0.00 H ATOM 1218 HG SER B 73 18.994 24.835 -5.357 1.00 0.00 H ATOM 1219 H SER B 73 16.760 20.956 -4.998 1.00 0.00 H ATOM 1220 N ARG B 74 15.006 23.406 -6.566 1.00 31.61 N ATOM 1221 CA ARG B 74 13.977 24.045 -7.374 1.00 31.16 C ATOM 1222 C ARG B 74 12.641 24.044 -6.644 1.00 31.09 C ATOM 1223 O ARG B 74 11.927 25.055 -6.642 1.00 30.80 O ATOM 1224 CB ARG B 74 13.857 23.366 -8.741 1.00 31.16 C ATOM 1225 CG ARG B 74 15.025 23.672 -9.684 1.00 33.07 C ATOM 1226 CD ARG B 74 15.175 22.676 -10.870 1.00 30.90 C ATOM 1227 NE ARG B 74 13.994 22.620 -11.740 1.00 33.28 N ATOM 1228 CZ ARG B 74 13.684 23.521 -12.676 1.00 33.31 C ATOM 1229 NH1 ARG B 74 14.460 24.578 -12.887 1.00 32.70 N ATOM 1230 NH2 ARG B 74 12.593 23.363 -13.414 1.00 32.56 N ATOM 1231 HA ARG B 74 14.270 25.082 -7.540 1.00 0.00 H ATOM 1232 HB2 ARG B 74 13.811 22.288 -8.587 1.00 0.00 H ATOM 1233 HB3 ARG B 74 12.935 23.704 -9.214 1.00 0.00 H ATOM 1234 HG2 ARG B 74 14.879 24.671 -10.095 1.00 0.00 H ATOM 1235 HG3 ARG B 74 15.947 23.651 -9.103 1.00 0.00 H ATOM 1236 HD2 ARG B 74 15.353 21.680 -10.464 1.00 0.00 H ATOM 1237 HD3 ARG B 74 16.032 22.981 -11.470 1.00 0.00 H ATOM 1238 HE ARG B 74 13.347 21.815 -11.618 1.00 0.00 H ATOM 1239 HH12 ARG B 74 14.206 25.272 -13.619 1.00 0.00 H ATOM 1240 HH11 ARG B 74 15.321 24.712 -12.320 1.00 0.00 H ATOM 1241 HH22 ARG B 74 12.352 24.065 -14.143 1.00 0.00 H ATOM 1242 HH21 ARG B 74 11.979 22.537 -13.264 1.00 0.00 H ATOM 1243 H ARG B 74 15.508 22.579 -6.947 1.00 0.00 H ATOM 1244 N HIS B 75 12.308 22.921 -6.009 1.00 30.60 N ATOM 1245 CA HIS B 75 11.057 22.827 -5.247 1.00 30.47 C ATOM 1246 C HIS B 75 11.063 23.798 -4.067 1.00 29.94 C ATOM 1247 O HIS B 75 10.096 24.529 -3.834 1.00 28.97 O ATOM 1248 CB HIS B 75 10.841 21.396 -4.729 1.00 31.05 C ATOM 1249 CG HIS B 75 9.608 21.238 -3.891 1.00 31.03 C ATOM 1250 ND1 HIS B 75 8.341 21.218 -4.431 1.00 32.89 N ATOM 1251 CD2 HIS B 75 9.448 21.102 -2.552 1.00 33.50 C ATOM 1252 CE1 HIS B 75 7.451 21.084 -3.462 1.00 34.10 C ATOM 1253 NE2 HIS B 75 8.096 21.016 -2.311 1.00 34.85 N ATOM 1254 HA HIS B 75 10.241 23.091 -5.920 1.00 0.00 H ATOM 1255 HB2 HIS B 75 10.763 20.728 -5.586 1.00 0.00 H ATOM 1256 HB3 HIS B 75 11.705 21.113 -4.127 1.00 0.00 H ATOM 1257 HD2 HIS B 75 10.242 21.067 -1.806 1.00 0.00 H ATOM 1258 HE1 HIS B 75 6.370 21.038 -3.591 1.00 0.00 H ATOM 1259 H HIS B 75 12.944 22.099 -6.054 1.00 0.00 H ATOM 1260 N GLN B 76 12.172 23.796 -3.337 1.00 29.01 N ATOM 1261 CA GLN B 76 12.280 24.493 -2.058 1.00 28.90 C ATOM 1262 C GLN B 76 12.471 26.004 -2.204 1.00 28.65 C ATOM 1263 O GLN B 76 11.930 26.771 -1.420 1.00 28.31 O ATOM 1264 CB GLN B 76 13.414 23.874 -1.220 1.00 28.46 C ATOM 1265 CG GLN B 76 13.508 24.421 0.194 1.00 30.86 C ATOM 1266 CD GLN B 76 14.231 23.484 1.135 1.00 32.00 C ATOM 1267 OE1 GLN B 76 14.376 22.291 0.856 1.00 34.49 O ATOM 1268 NE2 GLN B 76 14.700 24.018 2.249 1.00 30.29 N ATOM 1269 HA GLN B 76 11.329 24.362 -1.542 1.00 0.00 H ATOM 1270 HB2 GLN B 76 13.249 22.798 -1.161 1.00 0.00 H ATOM 1271 HB3 GLN B 76 14.360 24.068 -1.726 1.00 0.00 H ATOM 1272 HG2 GLN B 76 14.044 25.370 0.166 1.00 0.00 H ATOM 1273 HG3 GLN B 76 12.499 24.586 0.572 1.00 0.00 H ATOM 1274 HE22 GLN B 76 14.554 25.029 2.443 1.00 0.00 H ATOM 1275 HE21 GLN B 76 15.215 23.427 2.932 1.00 0.00 H ATOM 1276 H GLN B 76 13.000 23.276 -3.691 1.00 0.00 H ATOM 1277 N PHE B 77 13.230 26.425 -3.211 1.00 29.16 N ATOM 1278 CA PHE B 77 13.572 27.845 -3.376 1.00 29.55 C ATOM 1279 C PHE B 77 12.914 28.524 -4.562 1.00 29.80 C ATOM 1280 O PHE B 77 12.954 29.747 -4.680 1.00 29.13 O ATOM 1281 CB PHE B 77 15.097 28.001 -3.456 1.00 29.69 C ATOM 1282 CG PHE B 77 15.806 27.491 -2.238 1.00 29.57 C ATOM 1283 CD1 PHE B 77 15.872 28.269 -1.089 1.00 29.36 C ATOM 1284 CD2 PHE B 77 16.382 26.227 -2.229 1.00 30.01 C ATOM 1285 CE1 PHE B 77 16.511 27.798 0.057 1.00 29.65 C ATOM 1286 CE2 PHE B 77 17.015 25.755 -1.101 1.00 29.95 C ATOM 1287 CZ PHE B 77 17.075 26.556 0.057 1.00 28.64 C ATOM 1288 HA PHE B 77 13.174 28.352 -2.497 1.00 0.00 H ATOM 1289 HB2 PHE B 77 15.457 27.449 -4.324 1.00 0.00 H ATOM 1290 HB3 PHE B 77 15.332 29.059 -3.577 1.00 0.00 H ATOM 1291 HD2 PHE B 77 16.332 25.604 -3.122 1.00 0.00 H ATOM 1292 HE2 PHE B 77 17.469 24.764 -1.104 1.00 0.00 H ATOM 1293 HZ PHE B 77 17.572 26.183 0.953 1.00 0.00 H ATOM 1294 HE1 PHE B 77 16.560 28.420 0.950 1.00 0.00 H ATOM 1295 HD1 PHE B 77 15.418 29.260 -1.083 1.00 0.00 H ATOM 1296 H PHE B 77 13.590 25.733 -3.899 1.00 0.00 H ATOM 1297 N GLY B 78 12.307 27.729 -5.438 1.00 30.53 N ATOM 1298 CA GLY B 78 11.737 28.246 -6.671 1.00 30.89 C ATOM 1299 C GLY B 78 12.639 27.863 -7.820 1.00 31.91 C ATOM 1300 O GLY B 78 13.866 27.842 -7.679 1.00 31.71 O ATOM 1301 HA3 GLY B 78 11.659 29.332 -6.612 1.00 0.00 H ATOM 1302 HA2 GLY B 78 10.746 27.819 -6.824 1.00 0.00 H ATOM 1303 H GLY B 78 12.238 26.711 -5.236 1.00 0.00 H ATOM 1304 N GLN B 79 12.033 27.546 -8.959 1.00 32.70 N ATOM 1305 CA GLN B 79 12.776 27.070 -10.127 1.00 34.02 C ATOM 1306 C GLN B 79 13.795 28.093 -10.638 1.00 33.76 C ATOM 1307 O GLN B 79 14.905 27.725 -11.019 1.00 34.08 O ATOM 1308 CB GLN B 79 11.802 26.683 -11.248 1.00 34.17 C ATOM 1309 CG GLN B 79 10.916 25.473 -10.929 1.00 35.62 C ATOM 1310 CD GLN B 79 10.003 25.072 -12.097 1.00 36.35 C ATOM 1311 OE1 GLN B 79 9.789 25.841 -13.043 1.00 38.34 O ATOM 1312 NE2 GLN B 79 9.457 23.858 -12.023 1.00 38.60 N ATOM 1313 HA GLN B 79 13.341 26.193 -9.812 1.00 0.00 H ATOM 1314 HB2 GLN B 79 11.154 27.537 -11.447 1.00 0.00 H ATOM 1315 HB3 GLN B 79 12.384 26.454 -12.141 1.00 0.00 H ATOM 1316 HG2 GLN B 79 11.558 24.627 -10.684 1.00 0.00 H ATOM 1317 HG3 GLN B 79 10.293 25.716 -10.068 1.00 0.00 H ATOM 1318 HE22 GLN B 79 9.664 23.244 -11.210 1.00 0.00 H ATOM 1319 HE21 GLN B 79 8.824 23.525 -12.778 1.00 0.00 H ATOM 1320 H GLN B 79 10.999 27.639 -9.023 1.00 0.00 H ATOM 1321 N GLU B 80 13.407 29.367 -10.627 1.00 33.78 N ATOM 1322 CA GLU B 80 14.266 30.434 -11.136 1.00 34.01 C ATOM 1323 C GLU B 80 15.280 30.912 -10.092 1.00 33.92 C ATOM 1324 O GLU B 80 16.227 31.631 -10.418 1.00 34.34 O ATOM 1325 CB GLU B 80 13.419 31.592 -11.685 1.00 34.00 C ATOM 1326 CG GLU B 80 12.862 31.322 -13.086 1.00 34.75 C ATOM 1327 CD GLU B 80 11.578 32.082 -13.397 1.00 36.38 C ATOM 1328 OE1 GLU B 80 11.536 33.323 -13.230 1.00 37.00 O ATOM 1329 OE2 GLU B 80 10.603 31.433 -13.835 1.00 37.10 O ATOM 1330 HA GLU B 80 14.850 30.023 -11.959 1.00 0.00 H ATOM 1331 HB2 GLU B 80 12.583 31.762 -11.007 1.00 0.00 H ATOM 1332 HB3 GLU B 80 14.040 32.487 -11.726 1.00 0.00 H ATOM 1333 HG2 GLU B 80 13.617 31.610 -13.817 1.00 0.00 H ATOM 1334 HG3 GLU B 80 12.660 30.255 -13.175 1.00 0.00 H ATOM 1335 H GLU B 80 12.470 29.608 -10.247 1.00 0.00 H ATOM 1336 N LYS B 81 15.101 30.487 -8.846 1.00 33.34 N ATOM 1337 CA LYS B 81 15.983 30.899 -7.759 1.00 33.00 C ATOM 1338 C LYS B 81 17.060 29.877 -7.428 1.00 33.24 C ATOM 1339 O LYS B 81 18.050 30.206 -6.769 1.00 32.69 O ATOM 1340 CB LYS B 81 15.169 31.231 -6.502 1.00 32.87 C ATOM 1341 CG LYS B 81 14.207 32.440 -6.662 1.00 33.20 C ATOM 1342 CD LYS B 81 14.875 33.663 -7.304 1.00 34.23 C ATOM 1343 CE LYS B 81 16.073 34.153 -6.499 1.00 36.67 C ATOM 1344 NZ LYS B 81 16.546 35.498 -6.941 1.00 39.97 N ATOM 1345 HA LYS B 81 16.500 31.791 -8.112 1.00 0.00 H ATOM 1346 HB2 LYS B 81 14.576 30.355 -6.238 1.00 0.00 H ATOM 1347 HB3 LYS B 81 15.865 31.454 -5.693 1.00 0.00 H ATOM 1348 HG2 LYS B 81 13.368 32.135 -7.287 1.00 0.00 H ATOM 1349 HG3 LYS B 81 13.839 32.723 -5.676 1.00 0.00 H ATOM 1350 HD2 LYS B 81 15.211 33.395 -8.306 1.00 0.00 H ATOM 1351 HD3 LYS B 81 14.143 34.468 -7.371 1.00 0.00 H ATOM 1352 HE2 LYS B 81 16.889 33.439 -6.616 1.00 0.00 H ATOM 1353 HE3 LYS B 81 15.789 34.210 -5.448 1.00 0.00 H ATOM 1354 HZ1 LYS B 81 16.828 35.454 -7.941 1.00 0.00 H ATOM 1355 HZ2 LYS B 81 15.778 36.189 -6.826 1.00 0.00 H ATOM 1356 HZ3 LYS B 81 17.361 35.785 -6.362 1.00 0.00 H ATOM 1357 H LYS B 81 14.311 29.843 -8.640 1.00 0.00 H ATOM 1358 N ASP B 82 16.850 28.642 -7.886 1.00 33.04 N ATOM 1359 CA ASP B 82 17.783 27.545 -7.644 1.00 33.47 C ATOM 1360 C ASP B 82 19.195 27.944 -8.087 1.00 32.91 C ATOM 1361 O ASP B 82 19.399 28.376 -9.224 1.00 32.35 O ATOM 1362 CB ASP B 82 17.305 26.276 -8.378 1.00 33.29 C ATOM 1363 CG ASP B 82 18.403 25.226 -8.534 1.00 35.05 C ATOM 1364 OD1 ASP B 82 19.072 24.877 -7.534 1.00 34.56 O ATOM 1365 OD2 ASP B 82 18.591 24.748 -9.672 1.00 35.26 O ATOM 1366 HA ASP B 82 17.815 27.329 -6.576 1.00 0.00 H ATOM 1367 HB2 ASP B 82 16.482 25.837 -7.813 1.00 0.00 H ATOM 1368 HB3 ASP B 82 16.953 26.560 -9.370 1.00 0.00 H ATOM 1369 H ASP B 82 15.988 28.453 -8.437 1.00 0.00 H ATOM 1370 N VAL B 83 20.144 27.814 -7.165 1.00 32.66 N ATOM 1371 CA VAL B 83 21.558 28.065 -7.443 1.00 32.19 C ATOM 1372 C VAL B 83 22.311 26.830 -7.966 1.00 32.20 C ATOM 1373 O VAL B 83 23.396 26.968 -8.546 1.00 31.48 O ATOM 1374 CB VAL B 83 22.314 28.596 -6.199 1.00 32.17 C ATOM 1375 CG1 VAL B 83 21.741 29.939 -5.711 1.00 31.61 C ATOM 1376 CG2 VAL B 83 22.336 27.553 -5.069 1.00 31.62 C ATOM 1377 HA VAL B 83 21.545 28.823 -8.226 1.00 0.00 H ATOM 1378 HB VAL B 83 23.345 28.777 -6.502 1.00 0.00 H ATOM 1379 HG11 VAL B 83 21.827 30.680 -6.506 1.00 0.00 H ATOM 1380 HG12 VAL B 83 20.692 29.810 -5.445 1.00 0.00 H ATOM 1381 HG13 VAL B 83 22.300 30.275 -4.838 1.00 0.00 H ATOM 1382 HG21 VAL B 83 21.313 27.314 -4.777 1.00 0.00 H ATOM 1383 HG22 VAL B 83 22.836 26.650 -5.419 1.00 0.00 H ATOM 1384 HG23 VAL B 83 22.874 27.959 -4.212 1.00 0.00 H ATOM 1385 H VAL B 83 19.869 27.521 -6.206 1.00 0.00 H ATOM 1386 N PHE B 84 21.749 25.635 -7.756 1.00 32.38 N ATOM 1387 CA PHE B 84 22.472 24.379 -8.040 1.00 32.83 C ATOM 1388 C PHE B 84 22.571 23.971 -9.515 1.00 33.10 C ATOM 1389 O PHE B 84 23.650 23.593 -9.979 1.00 33.29 O ATOM 1390 CB PHE B 84 21.934 23.217 -7.192 1.00 33.11 C ATOM 1391 CG PHE B 84 22.401 23.251 -5.754 1.00 33.39 C ATOM 1392 CD1 PHE B 84 23.708 22.879 -5.425 1.00 33.25 C ATOM 1393 CD2 PHE B 84 21.545 23.673 -4.736 1.00 33.71 C ATOM 1394 CE1 PHE B 84 24.144 22.903 -4.093 1.00 33.01 C ATOM 1395 CE2 PHE B 84 21.978 23.717 -3.410 1.00 34.63 C ATOM 1396 CZ PHE B 84 23.283 23.326 -3.087 1.00 34.57 C ATOM 1397 HA PHE B 84 23.498 24.607 -7.752 1.00 0.00 H ATOM 1398 HB2 PHE B 84 20.845 23.258 -7.202 1.00 0.00 H ATOM 1399 HB3 PHE B 84 22.265 22.280 -7.640 1.00 0.00 H ATOM 1400 HD2 PHE B 84 20.525 23.972 -4.979 1.00 0.00 H ATOM 1401 HE2 PHE B 84 21.300 24.056 -2.626 1.00 0.00 H ATOM 1402 HZ PHE B 84 23.622 23.353 -2.051 1.00 0.00 H ATOM 1403 HE1 PHE B 84 25.158 22.590 -3.846 1.00 0.00 H ATOM 1404 HD1 PHE B 84 24.395 22.567 -6.212 1.00 0.00 H ATOM 1405 H PHE B 84 20.779 25.589 -7.384 1.00 0.00 H ATOM 1406 N ALA B 85 21.459 24.030 -10.246 1.00 33.02 N ATOM 1407 CA ALA B 85 21.480 23.666 -11.666 1.00 33.08 C ATOM 1408 C ALA B 85 22.451 24.530 -12.473 1.00 33.21 C ATOM 1409 O ALA B 85 23.283 23.974 -13.181 1.00 33.31 O ATOM 1410 CB ALA B 85 20.075 23.670 -12.285 1.00 33.10 C ATOM 1411 HA ALA B 85 21.850 22.642 -11.714 1.00 0.00 H ATOM 1412 HB1 ALA B 85 19.446 22.952 -11.759 1.00 0.00 H ATOM 1413 HB2 ALA B 85 19.643 24.667 -12.196 1.00 0.00 H ATOM 1414 HB3 ALA B 85 20.142 23.394 -13.337 1.00 0.00 H ATOM 1415 H ALA B 85 20.568 24.337 -9.806 1.00 0.00 H ATOM 1416 N PRO B 86 22.390 25.884 -12.332 1.00 33.23 N ATOM 1417 CA PRO B 86 23.342 26.706 -13.089 1.00 33.21 C ATOM 1418 C PRO B 86 24.799 26.436 -12.694 1.00 33.20 C ATOM 1419 O PRO B 86 25.686 26.498 -13.550 1.00 33.00 O ATOM 1420 CB PRO B 86 22.955 28.156 -12.732 1.00 33.28 C ATOM 1421 CG PRO B 86 21.621 28.087 -12.100 1.00 34.06 C ATOM 1422 CD PRO B 86 21.506 26.713 -11.487 1.00 33.10 C ATOM 1423 HA PRO B 86 23.288 26.489 -14.156 1.00 0.00 H ATOM 1424 HD3 PRO B 86 21.848 26.718 -10.452 1.00 0.00 H ATOM 1425 HD2 PRO B 86 20.478 26.353 -11.527 1.00 0.00 H ATOM 1426 HG3 PRO B 86 20.842 28.232 -12.848 1.00 0.00 H ATOM 1427 HG2 PRO B 86 21.529 28.852 -11.329 1.00 0.00 H ATOM 1428 HB2 PRO B 86 23.680 28.580 -12.038 1.00 0.00 H ATOM 1429 HB3 PRO B 86 22.915 28.769 -13.633 1.00 0.00 H ATOM 1430 N ARG B 87 25.042 26.161 -11.413 1.00 32.40 N ATOM 1431 CA ARG B 87 26.391 25.819 -10.949 1.00 31.98 C ATOM 1432 C ARG B 87 26.847 24.435 -11.455 1.00 31.62 C ATOM 1433 O ARG B 87 27.965 24.303 -11.943 1.00 31.04 O ATOM 1434 CB ARG B 87 26.516 25.941 -9.422 1.00 31.57 C ATOM 1435 CG ARG B 87 27.954 25.807 -8.888 1.00 31.68 C ATOM 1436 CD ARG B 87 28.851 26.990 -9.347 1.00 32.62 C ATOM 1437 NE ARG B 87 30.239 26.796 -8.930 1.00 32.31 N ATOM 1438 CZ ARG B 87 31.182 27.732 -8.967 1.00 33.45 C ATOM 1439 NH1 ARG B 87 30.907 28.956 -9.398 1.00 34.10 N ATOM 1440 NH2 ARG B 87 32.410 27.443 -8.557 1.00 34.60 N ATOM 1441 HA ARG B 87 27.070 26.551 -11.386 1.00 0.00 H ATOM 1442 HB2 ARG B 87 26.132 26.917 -9.125 1.00 0.00 H ATOM 1443 HB3 ARG B 87 25.909 25.159 -8.967 1.00 0.00 H ATOM 1444 HG2 ARG B 87 27.926 25.787 -7.799 1.00 0.00 H ATOM 1445 HG3 ARG B 87 28.382 24.875 -9.257 1.00 0.00 H ATOM 1446 HD2 ARG B 87 28.474 27.914 -8.908 1.00 0.00 H ATOM 1447 HD3 ARG B 87 28.813 27.064 -10.434 1.00 0.00 H ATOM 1448 HE ARG B 87 30.509 25.855 -8.578 1.00 0.00 H ATOM 1449 HH12 ARG B 87 31.654 29.679 -9.422 1.00 0.00 H ATOM 1450 HH11 ARG B 87 29.944 29.193 -9.712 1.00 0.00 H ATOM 1451 HH22 ARG B 87 33.152 28.171 -8.584 1.00 0.00 H ATOM 1452 HH21 ARG B 87 32.631 26.488 -8.209 1.00 0.00 H ATOM 1453 H ARG B 87 24.260 26.189 -10.728 1.00 0.00 H ATOM 1454 N PHE B 88 25.982 23.421 -11.365 1.00 31.96 N ATOM 1455 CA PHE B 88 26.298 22.101 -11.945 1.00 32.50 C ATOM 1456 C PHE B 88 26.524 22.183 -13.463 1.00 33.42 C ATOM 1457 O PHE B 88 27.293 21.390 -14.026 1.00 33.74 O ATOM 1458 CB PHE B 88 25.211 21.047 -11.626 1.00 32.47 C ATOM 1459 CG PHE B 88 25.384 20.362 -10.284 1.00 32.69 C ATOM 1460 CD1 PHE B 88 26.493 19.559 -10.025 1.00 32.16 C ATOM 1461 CD2 PHE B 88 24.418 20.489 -9.297 1.00 33.00 C ATOM 1462 CE1 PHE B 88 26.642 18.929 -8.795 1.00 29.89 C ATOM 1463 CE2 PHE B 88 24.558 19.858 -8.069 1.00 33.51 C ATOM 1464 CZ PHE B 88 25.682 19.076 -7.818 1.00 32.67 C ATOM 1465 HA PHE B 88 27.228 21.779 -11.476 1.00 0.00 H ATOM 1466 HB2 PHE B 88 24.240 21.543 -11.634 1.00 0.00 H ATOM 1467 HB3 PHE B 88 25.235 20.285 -12.405 1.00 0.00 H ATOM 1468 HD2 PHE B 88 23.533 21.095 -9.489 1.00 0.00 H ATOM 1469 HE2 PHE B 88 23.791 19.974 -7.304 1.00 0.00 H ATOM 1470 HZ PHE B 88 25.802 18.583 -6.853 1.00 0.00 H ATOM 1471 HE1 PHE B 88 27.522 18.316 -8.603 1.00 0.00 H ATOM 1472 HD1 PHE B 88 27.252 19.423 -10.795 1.00 0.00 H ATOM 1473 H PHE B 88 25.073 23.564 -10.880 1.00 0.00 H ATOM 1474 N SER B 89 25.885 23.160 -14.116 1.00 33.58 N ATOM 1475 CA SER B 89 25.970 23.311 -15.573 1.00 33.87 C ATOM 1476 C SER B 89 27.365 23.699 -16.046 1.00 34.23 C ATOM 1477 O SER B 89 27.767 23.356 -17.158 1.00 34.18 O ATOM 1478 CB SER B 89 24.951 24.337 -16.084 1.00 33.75 C ATOM 1479 OG SER B 89 23.629 23.863 -15.941 1.00 32.03 O ATOM 1480 HA SER B 89 25.739 22.331 -15.990 1.00 0.00 H ATOM 1481 HB2 SER B 89 25.145 24.536 -17.138 1.00 0.00 H ATOM 1482 HB3 SER B 89 25.061 25.260 -15.515 1.00 0.00 H ATOM 1483 HG SER B 89 23.445 23.685 -14.985 1.00 0.00 H ATOM 1484 H SER B 89 25.309 23.835 -13.573 1.00 0.00 H ATOM 1485 N ASN B 90 28.098 24.425 -15.202 1.00 34.55 N ATOM 1486 CA ASN B 90 29.430 24.940 -15.569 1.00 35.08 C ATOM 1487 C ASN B 90 30.428 23.864 -16.051 1.00 34.86 C ATOM 1488 O ASN B 90 31.052 24.017 -17.110 1.00 34.55 O ATOM 1489 CB ASN B 90 30.039 25.777 -14.429 1.00 35.36 C ATOM 1490 CG ASN B 90 29.189 27.005 -14.056 1.00 37.39 C ATOM 1491 OD1 ASN B 90 28.161 27.295 -14.685 1.00 38.23 O ATOM 1492 ND2 ASN B 90 29.623 27.728 -13.019 1.00 35.86 N ATOM 1493 HA ASN B 90 29.254 25.581 -16.433 1.00 0.00 H ATOM 1494 HB2 ASN B 90 30.137 25.143 -13.548 1.00 0.00 H ATOM 1495 HB3 ASN B 90 31.026 26.120 -14.740 1.00 0.00 H ATOM 1496 HD22 ASN B 90 30.491 27.450 -12.518 1.00 0.00 H ATOM 1497 HD21 ASN B 90 29.093 28.569 -12.713 1.00 0.00 H ATOM 1498 H ASN B 90 27.719 24.634 -14.256 1.00 0.00 H ATOM 1499 N ASN B 91 30.588 22.790 -15.278 1.00 34.08 N ATOM 1500 CA ASN B 91 31.530 21.716 -15.645 1.00 33.99 C ATOM 1501 C ASN B 91 30.826 20.449 -16.102 1.00 33.61 C ATOM 1502 O ASN B 91 31.348 19.353 -15.910 1.00 33.27 O ATOM 1503 CB ASN B 91 32.454 21.339 -14.471 1.00 34.15 C ATOM 1504 CG ASN B 91 33.334 22.476 -14.011 1.00 34.81 C ATOM 1505 OD1 ASN B 91 33.702 23.352 -14.787 1.00 35.96 O ATOM 1506 ND2 ASN B 91 33.700 22.452 -12.732 1.00 36.06 N ATOM 1507 HA ASN B 91 32.114 22.123 -16.470 1.00 0.00 H ATOM 1508 HB2 ASN B 91 31.835 21.020 -13.633 1.00 0.00 H ATOM 1509 HB3 ASN B 91 33.092 20.513 -14.785 1.00 0.00 H ATOM 1510 HD22 ASN B 91 33.364 21.690 -12.109 1.00 0.00 H ATOM 1511 HD21 ASN B 91 34.322 23.195 -12.355 1.00 0.00 H ATOM 1512 H ASN B 91 30.038 22.708 -14.399 1.00 0.00 H ATOM 1513 N ILE B 92 29.643 20.595 -16.697 1.00 33.05 N ATOM 1514 CA ILE B 92 28.772 19.446 -16.936 1.00 32.41 C ATOM 1515 C ILE B 92 29.319 18.484 -17.997 1.00 31.95 C ATOM 1516 O ILE B 92 29.042 17.288 -17.951 1.00 31.43 O ATOM 1517 CB ILE B 92 27.317 19.878 -17.272 1.00 32.71 C ATOM 1518 CG1 ILE B 92 26.343 18.720 -17.030 1.00 32.56 C ATOM 1519 CG2 ILE B 92 27.212 20.475 -18.695 1.00 31.84 C ATOM 1520 CD1 ILE B 92 24.903 19.171 -16.771 1.00 34.50 C ATOM 1521 HA ILE B 92 28.751 18.895 -15.996 1.00 0.00 H ATOM 1522 HB ILE B 92 27.028 20.682 -16.595 1.00 0.00 H ATOM 1523 HG12 ILE B 92 26.349 18.075 -17.909 1.00 0.00 H ATOM 1524 HG13 ILE B 92 26.688 18.155 -16.164 1.00 0.00 H ATOM 1525 HD11 ILE B 92 24.877 19.808 -15.887 1.00 0.00 H ATOM 1526 HD12 ILE B 92 24.538 19.728 -17.633 1.00 0.00 H ATOM 1527 HD13 ILE B 92 24.273 18.296 -16.609 1.00 0.00 H ATOM 1528 HG21 ILE B 92 27.856 21.351 -18.769 1.00 0.00 H ATOM 1529 HG22 ILE B 92 27.526 19.729 -19.425 1.00 0.00 H ATOM 1530 HG23 ILE B 92 26.180 20.764 -18.891 1.00 0.00 H ATOM 1531 H ILE B 92 29.334 21.542 -16.996 1.00 0.00 H ATOM 1532 N ILE B 93 30.101 19.011 -18.941 1.00 31.66 N ATOM 1533 CA ILE B 93 30.756 18.160 -19.931 1.00 31.36 C ATOM 1534 C ILE B 93 31.748 17.206 -19.247 1.00 31.38 C ATOM 1535 O ILE B 93 31.697 15.994 -19.474 1.00 31.44 O ATOM 1536 CB ILE B 93 31.437 18.993 -21.033 1.00 31.30 C ATOM 1537 CG1 ILE B 93 30.376 19.743 -21.857 1.00 30.44 C ATOM 1538 CG2 ILE B 93 32.299 18.108 -21.916 1.00 31.76 C ATOM 1539 CD1 ILE B 93 29.492 18.836 -22.715 1.00 30.45 C ATOM 1540 HA ILE B 93 29.990 17.557 -20.419 1.00 0.00 H ATOM 1541 HB ILE B 93 32.091 19.730 -20.568 1.00 0.00 H ATOM 1542 HG12 ILE B 93 29.735 20.294 -21.169 1.00 0.00 H ATOM 1543 HG13 ILE B 93 30.888 20.445 -22.516 1.00 0.00 H ATOM 1544 HD11 ILE B 93 30.115 18.285 -23.420 1.00 0.00 H ATOM 1545 HD12 ILE B 93 28.961 18.134 -22.072 1.00 0.00 H ATOM 1546 HD13 ILE B 93 28.772 19.445 -23.263 1.00 0.00 H ATOM 1547 HG21 ILE B 93 33.067 17.629 -21.309 1.00 0.00 H ATOM 1548 HG22 ILE B 93 31.676 17.346 -22.383 1.00 0.00 H ATOM 1549 HG23 ILE B 93 32.771 18.716 -22.688 1.00 0.00 H ATOM 1550 H ILE B 93 30.246 20.040 -18.972 1.00 0.00 H ATOM 1551 N SER B 94 32.630 17.764 -18.418 1.00 31.32 N ATOM 1552 CA SER B 94 33.596 16.992 -17.634 1.00 31.63 C ATOM 1553 C SER B 94 32.862 15.919 -16.819 1.00 31.87 C ATOM 1554 O SER B 94 33.243 14.749 -16.815 1.00 31.23 O ATOM 1555 CB SER B 94 34.368 17.947 -16.708 1.00 31.77 C ATOM 1556 OG SER B 94 35.439 17.318 -16.023 1.00 32.29 O ATOM 1557 HA SER B 94 34.302 16.494 -18.298 1.00 0.00 H ATOM 1558 HB2 SER B 94 33.674 18.351 -15.970 1.00 0.00 H ATOM 1559 HB3 SER B 94 34.772 18.762 -17.309 1.00 0.00 H ATOM 1560 HG SER B 94 35.895 17.981 -15.446 1.00 0.00 H ATOM 1561 H SER B 94 32.632 18.800 -18.323 1.00 0.00 H ATOM 1562 N THR B 95 31.789 16.349 -16.146 1.00 31.91 N ATOM 1563 CA THR B 95 31.013 15.500 -15.241 1.00 32.24 C ATOM 1564 C THR B 95 30.481 14.273 -15.966 1.00 32.33 C ATOM 1565 O THR B 95 30.665 13.134 -15.498 1.00 32.30 O ATOM 1566 CB THR B 95 29.852 16.311 -14.618 1.00 32.35 C ATOM 1567 OG1 THR B 95 30.403 17.471 -13.986 1.00 31.18 O ATOM 1568 CG2 THR B 95 29.066 15.496 -13.604 1.00 32.35 C ATOM 1569 HA THR B 95 31.670 15.157 -14.442 1.00 0.00 H ATOM 1570 HB THR B 95 29.158 16.592 -15.410 1.00 0.00 H ATOM 1571 HG1 THR B 95 29.673 18.003 -13.581 1.00 0.00 H ATOM 1572 HG23 THR B 95 28.650 14.615 -14.092 1.00 0.00 H ATOM 1573 HG21 THR B 95 29.729 15.186 -12.796 1.00 0.00 H ATOM 1574 HG22 THR B 95 28.258 16.105 -13.199 1.00 0.00 H ATOM 1575 H THR B 95 31.491 17.337 -16.272 1.00 0.00 H ATOM 1576 N PHE B 96 29.866 14.504 -17.127 1.00 31.89 N ATOM 1577 CA PHE B 96 29.311 13.408 -17.913 1.00 32.47 C ATOM 1578 C PHE B 96 30.352 12.499 -18.581 1.00 32.59 C ATOM 1579 O PHE B 96 30.121 11.302 -18.686 1.00 32.95 O ATOM 1580 CB PHE B 96 28.200 13.868 -18.872 1.00 31.65 C ATOM 1581 CG PHE B 96 26.855 13.976 -18.189 1.00 32.03 C ATOM 1582 CD1 PHE B 96 26.610 15.007 -17.279 1.00 30.66 C ATOM 1583 CD2 PHE B 96 25.862 13.028 -18.412 1.00 30.75 C ATOM 1584 CE1 PHE B 96 25.386 15.099 -16.616 1.00 29.45 C ATOM 1585 CE2 PHE B 96 24.635 13.104 -17.749 1.00 31.58 C ATOM 1586 CZ PHE B 96 24.401 14.147 -16.837 1.00 29.45 C ATOM 1587 HA PHE B 96 28.835 12.759 -17.178 1.00 0.00 H ATOM 1588 HB2 PHE B 96 28.468 14.845 -19.275 1.00 0.00 H ATOM 1589 HB3 PHE B 96 28.122 13.149 -19.688 1.00 0.00 H ATOM 1590 HD2 PHE B 96 26.044 12.214 -19.114 1.00 0.00 H ATOM 1591 HE2 PHE B 96 23.863 12.358 -17.938 1.00 0.00 H ATOM 1592 HZ PHE B 96 23.451 14.208 -16.306 1.00 0.00 H ATOM 1593 HE1 PHE B 96 25.203 15.920 -15.923 1.00 0.00 H ATOM 1594 HD1 PHE B 96 27.385 15.749 -17.085 1.00 0.00 H ATOM 1595 H PHE B 96 29.781 15.480 -17.477 1.00 0.00 H ATOM 1596 N GLN B 97 31.482 13.063 -19.000 1.00 33.21 N ATOM 1597 CA GLN B 97 32.655 12.257 -19.394 1.00 33.58 C ATOM 1598 C GLN B 97 32.999 11.236 -18.302 1.00 33.37 C ATOM 1599 O GLN B 97 33.278 10.076 -18.598 1.00 33.74 O ATOM 1600 CB GLN B 97 33.886 13.143 -19.681 1.00 33.29 C ATOM 1601 CG GLN B 97 33.782 13.966 -20.978 1.00 33.91 C ATOM 1602 CD GLN B 97 34.919 14.955 -21.195 1.00 34.02 C ATOM 1603 OE1 GLN B 97 35.831 15.096 -20.366 1.00 36.77 O ATOM 1604 NE2 GLN B 97 34.870 15.658 -22.321 1.00 33.13 N ATOM 1605 HA GLN B 97 32.392 11.731 -20.312 1.00 0.00 H ATOM 1606 HB2 GLN B 97 34.013 13.833 -18.847 1.00 0.00 H ATOM 1607 HB3 GLN B 97 34.762 12.498 -19.754 1.00 0.00 H ATOM 1608 HG2 GLN B 97 33.768 13.274 -21.820 1.00 0.00 H ATOM 1609 HG3 GLN B 97 32.846 14.524 -20.953 1.00 0.00 H ATOM 1610 HE22 GLN B 97 34.089 15.512 -22.992 1.00 0.00 H ATOM 1611 HE21 GLN B 97 35.613 16.355 -22.532 1.00 0.00 H ATOM 1612 H GLN B 97 31.541 14.100 -19.051 1.00 0.00 H ATOM 1613 N ASN B 98 32.984 11.678 -17.046 1.00 33.20 N ATOM 1614 CA ASN B 98 33.286 10.801 -15.916 1.00 33.56 C ATOM 1615 C ASN B 98 32.163 9.799 -15.667 1.00 33.80 C ATOM 1616 O ASN B 98 32.424 8.600 -15.481 1.00 33.66 O ATOM 1617 CB ASN B 98 33.592 11.621 -14.652 1.00 33.79 C ATOM 1618 CG ASN B 98 34.862 12.447 -14.779 1.00 34.26 C ATOM 1619 OD1 ASN B 98 35.799 12.059 -15.467 1.00 35.54 O ATOM 1620 ND2 ASN B 98 34.903 13.588 -14.096 1.00 34.45 N ATOM 1621 HA ASN B 98 34.178 10.229 -16.171 1.00 0.00 H ATOM 1622 HB2 ASN B 98 32.756 12.294 -14.462 1.00 0.00 H ATOM 1623 HB3 ASN B 98 33.704 10.937 -13.811 1.00 0.00 H ATOM 1624 HD22 ASN B 98 34.086 13.881 -13.524 1.00 0.00 H ATOM 1625 HD21 ASN B 98 35.752 14.187 -14.134 1.00 0.00 H ATOM 1626 H ASN B 98 32.751 12.675 -16.864 1.00 0.00 H ATOM 1627 N LEU B 99 30.916 10.280 -15.704 1.00 33.38 N ATOM 1628 CA LEU B 99 29.748 9.425 -15.518 1.00 33.58 C ATOM 1629 C LEU B 99 29.660 8.285 -16.521 1.00 33.94 C ATOM 1630 O LEU B 99 29.247 7.179 -16.162 1.00 33.53 O ATOM 1631 CB LEU B 99 28.443 10.234 -15.572 1.00 32.98 C ATOM 1632 CG LEU B 99 28.112 11.154 -14.397 1.00 32.91 C ATOM 1633 CD1 LEU B 99 26.911 12.030 -14.751 1.00 31.95 C ATOM 1634 CD2 LEU B 99 27.855 10.340 -13.122 1.00 29.49 C ATOM 1635 HA LEU B 99 29.877 8.988 -14.528 1.00 0.00 H ATOM 1636 HB2 LEU B 99 28.485 10.855 -16.467 1.00 0.00 H ATOM 1637 HB3 LEU B 99 27.624 9.521 -15.664 1.00 0.00 H ATOM 1638 HG LEU B 99 28.966 11.802 -14.201 1.00 0.00 H ATOM 1639 HD21 LEU B 99 27.016 9.664 -13.287 1.00 0.00 H ATOM 1640 HD22 LEU B 99 28.746 9.762 -12.876 1.00 0.00 H ATOM 1641 HD23 LEU B 99 27.622 11.018 -12.301 1.00 0.00 H ATOM 1642 HD11 LEU B 99 27.149 12.633 -15.627 1.00 0.00 H ATOM 1643 HD12 LEU B 99 26.051 11.396 -14.967 1.00 0.00 H ATOM 1644 HD13 LEU B 99 26.679 12.684 -13.910 1.00 0.00 H ATOM 1645 H LEU B 99 30.774 11.297 -15.871 1.00 0.00 H ATOM 1646 N TYR B 100 30.025 8.566 -17.773 1.00 34.47 N ATOM 1647 CA TYR B 100 29.985 7.561 -18.827 1.00 35.36 C ATOM 1648 C TYR B 100 31.070 6.457 -18.686 1.00 35.99 C ATOM 1649 O TYR B 100 31.112 5.527 -19.491 1.00 35.58 O ATOM 1650 CB TYR B 100 30.010 8.226 -20.219 1.00 35.45 C ATOM 1651 CG TYR B 100 28.691 8.885 -20.626 1.00 35.63 C ATOM 1652 CD1 TYR B 100 27.488 8.176 -20.597 1.00 34.63 C ATOM 1653 CD2 TYR B 100 28.660 10.212 -21.064 1.00 35.38 C ATOM 1654 CE1 TYR B 100 26.281 8.779 -20.971 1.00 35.24 C ATOM 1655 CE2 TYR B 100 27.460 10.824 -21.440 1.00 35.49 C ATOM 1656 CZ TYR B 100 26.283 10.112 -21.384 1.00 35.31 C ATOM 1657 OH TYR B 100 25.114 10.730 -21.761 1.00 35.56 O ATOM 1658 HA TYR B 100 29.036 7.036 -18.714 1.00 0.00 H ATOM 1659 HB3 TYR B 100 30.253 7.462 -20.958 1.00 0.00 H ATOM 1660 HB2 TYR B 100 30.788 8.990 -20.219 1.00 0.00 H ATOM 1661 HD2 TYR B 100 29.589 10.781 -21.113 1.00 0.00 H ATOM 1662 HE2 TYR B 100 27.457 11.861 -21.776 1.00 0.00 H ATOM 1663 HE1 TYR B 100 25.350 8.213 -20.940 1.00 0.00 H ATOM 1664 HD1 TYR B 100 27.489 7.134 -20.277 1.00 0.00 H ATOM 1665 HH TYR B 100 25.185 11.021 -22.705 1.00 0.00 H ATOM 1666 H TYR B 100 30.347 9.528 -18.003 1.00 0.00 H ATOM 1667 N ARG B 101 31.930 6.571 -17.666 1.00 36.60 N ATOM 1668 CA ARG B 101 32.835 5.474 -17.254 1.00 38.05 C ATOM 1669 C ARG B 101 32.129 4.401 -16.379 1.00 38.00 C ATOM 1670 O ARG B 101 32.787 3.520 -15.806 1.00 37.97 O ATOM 1671 CB ARG B 101 34.046 6.011 -16.481 1.00 38.05 C ATOM 1672 CG ARG B 101 34.851 7.102 -17.154 1.00 39.04 C ATOM 1673 CD ARG B 101 36.102 7.397 -16.334 1.00 40.09 C ATOM 1674 NE ARG B 101 37.111 6.336 -16.455 1.00 44.08 N ATOM 1675 CZ ARG B 101 38.354 6.415 -15.979 1.00 46.22 C ATOM 1676 NH1 ARG B 101 38.762 7.507 -15.338 1.00 47.71 N ATOM 1677 NH2 ARG B 101 39.198 5.400 -16.145 1.00 46.44 N ATOM 1678 HA ARG B 101 33.160 5.003 -18.182 1.00 0.00 H ATOM 1679 HB2 ARG B 101 33.684 6.405 -15.531 1.00 0.00 H ATOM 1680 HB3 ARG B 101 34.717 5.173 -16.293 1.00 0.00 H ATOM 1681 HG2 ARG B 101 35.141 6.775 -18.153 1.00 0.00 H ATOM 1682 HG3 ARG B 101 34.246 8.005 -17.230 1.00 0.00 H ATOM 1683 HD2 ARG B 101 35.819 7.495 -15.286 1.00 0.00 H ATOM 1684 HD3 ARG B 101 36.536 8.335 -16.681 1.00 0.00 H ATOM 1685 HE ARG B 101 36.836 5.462 -16.947 1.00 0.00 H ATOM 1686 HH12 ARG B 101 39.733 7.561 -14.969 1.00 0.00 H ATOM 1687 HH11 ARG B 101 38.110 8.306 -15.205 1.00 0.00 H ATOM 1688 HH22 ARG B 101 40.167 5.463 -15.773 1.00 0.00 H ATOM 1689 HH21 ARG B 101 38.889 4.543 -16.647 1.00 0.00 H ATOM 1690 H ARG B 101 31.964 7.468 -17.141 1.00 0.00 H ATOM 1691 N CYS B 102 30.803 4.496 -16.278 1.00 38.08 N ATOM 1692 CA CYS B 102 29.957 3.523 -15.579 1.00 38.06 C ATOM 1693 C CYS B 102 29.979 2.171 -16.304 1.00 38.09 C ATOM 1694 O CYS B 102 30.440 2.104 -17.443 1.00 38.08 O ATOM 1695 CB CYS B 102 28.516 4.049 -15.522 1.00 37.86 C ATOM 1696 SG CYS B 102 27.733 4.220 -17.166 1.00 38.69 S ATOM 1697 HA CYS B 102 30.342 3.385 -14.569 1.00 0.00 H ATOM 1698 HB2 CYS B 102 28.525 5.027 -15.041 1.00 0.00 H ATOM 1699 HB3 CYS B 102 27.920 3.358 -14.926 1.00 0.00 H ATOM 1700 HG CYS B 102 27.699 2.988 -17.788 1.00 0.00 H ATOM 1701 H CYS B 102 30.339 5.313 -16.724 1.00 0.00 H ATOM 1702 N PRO B 103 29.487 1.089 -15.654 1.00 38.30 N ATOM 1703 CA PRO B 103 29.321 -0.161 -16.390 1.00 38.75 C ATOM 1704 C PRO B 103 28.419 0.029 -17.604 1.00 39.12 C ATOM 1705 O PRO B 103 27.530 0.885 -17.590 1.00 39.07 O ATOM 1706 CB PRO B 103 28.660 -1.084 -15.364 1.00 38.76 C ATOM 1707 CG PRO B 103 29.141 -0.565 -14.061 1.00 38.71 C ATOM 1708 CD PRO B 103 29.095 0.927 -14.241 1.00 38.30 C ATOM 1709 HA PRO B 103 30.261 -0.551 -16.781 1.00 0.00 H ATOM 1710 HD3 PRO B 103 28.092 1.315 -14.063 1.00 0.00 H ATOM 1711 HD2 PRO B 103 29.800 1.426 -13.576 1.00 0.00 H ATOM 1712 HG3 PRO B 103 30.157 -0.902 -13.858 1.00 0.00 H ATOM 1713 HG2 PRO B 103 28.486 -0.881 -13.249 1.00 0.00 H ATOM 1714 HB2 PRO B 103 27.574 -1.023 -15.430 1.00 0.00 H ATOM 1715 HB3 PRO B 103 28.975 -2.117 -15.511 1.00 0.00 H ATOM 1716 N GLY B 104 28.665 -0.757 -18.647 1.00 39.53 N ATOM 1717 CA GLY B 104 27.904 -0.676 -19.895 1.00 40.12 C ATOM 1718 C GLY B 104 26.393 -0.614 -19.751 1.00 40.40 C ATOM 1719 O GLY B 104 25.747 0.202 -20.414 1.00 40.70 O ATOM 1720 HA3 GLY B 104 28.147 -1.555 -20.492 1.00 0.00 H ATOM 1721 HA2 GLY B 104 28.226 0.221 -20.425 1.00 0.00 H ATOM 1722 H GLY B 104 29.429 -1.458 -18.574 1.00 0.00 H ATOM 1723 N ASP B 105 25.828 -1.465 -18.890 1.00 40.64 N ATOM 1724 CA ASP B 105 24.368 -1.535 -18.708 1.00 40.82 C ATOM 1725 C ASP B 105 23.765 -0.370 -17.917 1.00 40.92 C ATOM 1726 O ASP B 105 22.537 -0.247 -17.835 1.00 41.45 O ATOM 1727 CB ASP B 105 23.933 -2.880 -18.108 1.00 41.27 C ATOM 1728 CG ASP B 105 24.630 -3.214 -16.791 1.00 42.12 C ATOM 1729 OD1 ASP B 105 25.345 -2.362 -16.228 1.00 42.05 O ATOM 1730 OD2 ASP B 105 24.461 -4.365 -16.322 1.00 44.23 O ATOM 1731 HA ASP B 105 23.964 -1.448 -19.716 1.00 0.00 H ATOM 1732 HB2 ASP B 105 22.858 -2.848 -17.931 1.00 0.00 H ATOM 1733 HB3 ASP B 105 24.158 -3.668 -18.827 1.00 0.00 H ATOM 1734 H ASP B 105 26.437 -2.097 -18.332 1.00 0.00 H ATOM 1735 N ASP B 106 24.630 0.474 -17.350 1.00 39.83 N ATOM 1736 CA ASP B 106 24.211 1.635 -16.570 1.00 39.22 C ATOM 1737 C ASP B 106 24.073 2.890 -17.427 1.00 38.36 C ATOM 1738 O ASP B 106 23.525 3.891 -16.973 1.00 38.13 O ATOM 1739 CB ASP B 106 25.207 1.909 -15.436 1.00 39.60 C ATOM 1740 CG ASP B 106 24.945 1.064 -14.200 1.00 40.30 C ATOM 1741 OD1 ASP B 106 24.228 0.051 -14.302 1.00 43.34 O ATOM 1742 OD2 ASP B 106 25.468 1.405 -13.121 1.00 40.58 O ATOM 1743 HA ASP B 106 23.231 1.396 -16.157 1.00 0.00 H ATOM 1744 HB2 ASP B 106 26.213 1.695 -15.797 1.00 0.00 H ATOM 1745 HB3 ASP B 106 25.138 2.961 -15.159 1.00 0.00 H ATOM 1746 H ASP B 106 25.648 0.297 -17.469 1.00 0.00 H ATOM 1747 N LYS B 107 24.576 2.840 -18.657 1.00 37.61 N ATOM 1748 CA LYS B 107 24.465 3.976 -19.566 1.00 37.35 C ATOM 1749 C LYS B 107 23.015 4.401 -19.840 1.00 36.41 C ATOM 1750 O LYS B 107 22.717 5.595 -19.865 1.00 35.71 O ATOM 1751 CB LYS B 107 25.228 3.722 -20.863 1.00 37.77 C ATOM 1752 CG LYS B 107 26.722 4.040 -20.745 1.00 40.12 C ATOM 1753 CD LYS B 107 27.365 4.053 -22.104 1.00 44.21 C ATOM 1754 CE LYS B 107 26.821 5.199 -22.932 1.00 45.93 C ATOM 1755 NZ LYS B 107 26.413 4.681 -24.261 1.00 46.40 N ATOM 1756 HA LYS B 107 24.930 4.819 -19.055 1.00 0.00 H ATOM 1757 HB2 LYS B 107 25.115 2.672 -21.134 1.00 0.00 H ATOM 1758 HB3 LYS B 107 24.800 4.346 -21.647 1.00 0.00 H ATOM 1759 HG2 LYS B 107 26.846 5.018 -20.280 1.00 0.00 H ATOM 1760 HG3 LYS B 107 27.203 3.282 -20.127 1.00 0.00 H ATOM 1761 HD2 LYS B 107 28.443 4.170 -21.991 1.00 0.00 H ATOM 1762 HD3 LYS B 107 27.155 3.111 -22.611 1.00 0.00 H ATOM 1763 HE2 LYS B 107 27.592 5.959 -23.056 1.00 0.00 H ATOM 1764 HE3 LYS B 107 25.959 5.637 -22.429 1.00 0.00 H ATOM 1765 HZ1 LYS B 107 27.238 4.263 -24.737 1.00 0.00 H ATOM 1766 HZ2 LYS B 107 25.678 3.956 -24.138 1.00 0.00 H ATOM 1767 HZ3 LYS B 107 26.038 5.462 -24.836 1.00 0.00 H ATOM 1768 H LYS B 107 25.057 1.975 -18.977 1.00 0.00 H ATOM 1769 N SER B 108 22.122 3.425 -20.014 1.00 35.38 N ATOM 1770 CA SER B 108 20.688 3.711 -20.184 1.00 34.81 C ATOM 1771 C SER B 108 20.093 4.522 -19.008 1.00 34.37 C ATOM 1772 O SER B 108 19.206 5.364 -19.207 1.00 33.42 O ATOM 1773 CB SER B 108 19.891 2.421 -20.438 1.00 34.93 C ATOM 1774 OG SER B 108 19.630 1.709 -19.238 1.00 35.84 O ATOM 1775 HA SER B 108 20.599 4.344 -21.067 1.00 0.00 H ATOM 1776 HB2 SER B 108 20.463 1.781 -21.110 1.00 0.00 H ATOM 1777 HB3 SER B 108 18.942 2.681 -20.906 1.00 0.00 H ATOM 1778 HG SER B 108 19.117 0.889 -19.447 1.00 0.00 H ATOM 1779 H SER B 108 22.447 2.437 -20.030 1.00 0.00 H ATOM 1780 N LYS B 109 20.599 4.282 -17.796 1.00 33.62 N ATOM 1781 CA LYS B 109 20.136 5.013 -16.600 1.00 32.92 C ATOM 1782 C LYS B 109 20.479 6.501 -16.652 1.00 32.07 C ATOM 1783 O LYS B 109 19.725 7.359 -16.166 1.00 31.39 O ATOM 1784 CB LYS B 109 20.706 4.380 -15.328 1.00 33.01 C ATOM 1785 CG LYS B 109 20.243 2.938 -15.113 1.00 35.50 C ATOM 1786 CD LYS B 109 21.014 2.275 -13.999 1.00 38.05 C ATOM 1787 CE LYS B 109 20.514 0.854 -13.775 1.00 40.16 C ATOM 1788 NZ LYS B 109 21.300 0.220 -12.684 1.00 43.84 N ATOM 1789 HA LYS B 109 19.049 4.935 -16.584 1.00 0.00 H ATOM 1790 HB2 LYS B 109 21.794 4.389 -15.394 1.00 0.00 H ATOM 1791 HB3 LYS B 109 20.390 4.977 -14.472 1.00 0.00 H ATOM 1792 HG2 LYS B 109 19.183 2.939 -14.860 1.00 0.00 H ATOM 1793 HG3 LYS B 109 20.395 2.375 -16.034 1.00 0.00 H ATOM 1794 HD2 LYS B 109 22.071 2.246 -14.262 1.00 0.00 H ATOM 1795 HD3 LYS B 109 20.885 2.850 -13.082 1.00 0.00 H ATOM 1796 HE2 LYS B 109 20.634 0.277 -14.692 1.00 0.00 H ATOM 1797 HE3 LYS B 109 19.460 0.878 -13.497 1.00 0.00 H ATOM 1798 HZ1 LYS B 109 22.305 0.197 -12.951 1.00 0.00 H ATOM 1799 HZ2 LYS B 109 21.184 0.771 -11.810 1.00 0.00 H ATOM 1800 HZ3 LYS B 109 20.958 -0.750 -12.531 1.00 0.00 H ATOM 1801 H LYS B 109 21.340 3.560 -17.692 1.00 0.00 H ATOM 1802 N ILE B 110 21.627 6.801 -17.241 1.00 31.94 N ATOM 1803 CA ILE B 110 22.062 8.189 -17.438 1.00 31.90 C ATOM 1804 C ILE B 110 21.161 8.897 -18.458 1.00 31.69 C ATOM 1805 O ILE B 110 20.714 10.044 -18.238 1.00 32.21 O ATOM 1806 CB ILE B 110 23.534 8.233 -17.895 1.00 32.25 C ATOM 1807 CG1 ILE B 110 24.445 7.674 -16.786 1.00 32.08 C ATOM 1808 CG2 ILE B 110 23.950 9.661 -18.287 1.00 32.04 C ATOM 1809 CD1 ILE B 110 25.870 7.527 -17.190 1.00 31.01 C ATOM 1810 HA ILE B 110 21.980 8.713 -16.486 1.00 0.00 H ATOM 1811 HB ILE B 110 23.642 7.608 -18.781 1.00 0.00 H ATOM 1812 HG12 ILE B 110 24.399 8.349 -15.931 1.00 0.00 H ATOM 1813 HG13 ILE B 110 24.068 6.694 -16.494 1.00 0.00 H ATOM 1814 HD11 ILE B 110 25.938 6.845 -18.037 1.00 0.00 H ATOM 1815 HD12 ILE B 110 26.268 8.501 -17.474 1.00 0.00 H ATOM 1816 HD13 ILE B 110 26.444 7.128 -16.354 1.00 0.00 H ATOM 1817 HG21 ILE B 110 23.320 10.010 -19.105 1.00 0.00 H ATOM 1818 HG22 ILE B 110 23.831 10.321 -17.428 1.00 0.00 H ATOM 1819 HG23 ILE B 110 24.993 9.660 -18.605 1.00 0.00 H ATOM 1820 H ILE B 110 22.239 6.029 -17.574 1.00 0.00 H ATOM 1821 N VAL B 111 20.892 8.212 -19.566 1.00 30.85 N ATOM 1822 CA VAL B 111 20.021 8.748 -20.616 1.00 30.54 C ATOM 1823 C VAL B 111 18.607 9.023 -20.084 1.00 30.49 C ATOM 1824 O VAL B 111 18.003 10.056 -20.404 1.00 30.17 O ATOM 1825 CB VAL B 111 20.011 7.811 -21.857 1.00 30.31 C ATOM 1826 CG1 VAL B 111 19.027 8.296 -22.930 1.00 30.75 C ATOM 1827 CG2 VAL B 111 21.421 7.698 -22.433 1.00 30.24 C ATOM 1828 HA VAL B 111 20.426 9.707 -20.938 1.00 0.00 H ATOM 1829 HB VAL B 111 19.675 6.826 -21.533 1.00 0.00 H ATOM 1830 HG11 VAL B 111 18.020 8.323 -22.513 1.00 0.00 H ATOM 1831 HG12 VAL B 111 19.312 9.296 -23.258 1.00 0.00 H ATOM 1832 HG13 VAL B 111 19.052 7.613 -23.779 1.00 0.00 H ATOM 1833 HG21 VAL B 111 21.771 8.687 -22.730 1.00 0.00 H ATOM 1834 HG22 VAL B 111 22.089 7.287 -21.676 1.00 0.00 H ATOM 1835 HG23 VAL B 111 21.406 7.040 -23.302 1.00 0.00 H ATOM 1836 H VAL B 111 21.312 7.269 -19.691 1.00 0.00 H ATOM 1837 N THR B 112 18.093 8.111 -19.259 1.00 30.64 N ATOM 1838 CA THR B 112 16.765 8.290 -18.635 1.00 31.01 C ATOM 1839 C THR B 112 16.708 9.621 -17.855 1.00 30.86 C ATOM 1840 O THR B 112 15.759 10.389 -18.008 1.00 30.96 O ATOM 1841 CB THR B 112 16.383 7.080 -17.760 1.00 30.74 C ATOM 1842 OG1 THR B 112 16.312 5.923 -18.593 1.00 30.34 O ATOM 1843 CG2 THR B 112 15.010 7.272 -17.065 1.00 31.50 C ATOM 1844 HA THR B 112 16.018 8.344 -19.427 1.00 0.00 H ATOM 1845 HB THR B 112 17.141 6.972 -16.984 1.00 0.00 H ATOM 1846 HG1 THR B 112 17.193 5.769 -19.018 1.00 0.00 H ATOM 1847 HG23 THR B 112 15.049 8.153 -16.424 1.00 0.00 H ATOM 1848 HG21 THR B 112 14.237 7.405 -17.822 1.00 0.00 H ATOM 1849 HG22 THR B 112 14.783 6.393 -16.462 1.00 0.00 H ATOM 1850 H THR B 112 18.640 7.252 -19.049 1.00 0.00 H ATOM 1851 N VAL B 113 17.737 9.898 -17.060 1.00 31.05 N ATOM 1852 CA VAL B 113 17.844 11.175 -16.325 1.00 31.44 C ATOM 1853 C VAL B 113 17.917 12.380 -17.281 1.00 31.78 C ATOM 1854 O VAL B 113 17.199 13.373 -17.108 1.00 31.98 O ATOM 1855 CB VAL B 113 19.068 11.188 -15.355 1.00 31.52 C ATOM 1856 CG1 VAL B 113 19.223 12.541 -14.669 1.00 31.41 C ATOM 1857 CG2 VAL B 113 18.940 10.102 -14.301 1.00 33.08 C ATOM 1858 HA VAL B 113 16.935 11.263 -15.729 1.00 0.00 H ATOM 1859 HB VAL B 113 19.955 10.998 -15.960 1.00 0.00 H ATOM 1860 HG11 VAL B 113 19.371 13.314 -15.423 1.00 0.00 H ATOM 1861 HG12 VAL B 113 18.324 12.760 -14.094 1.00 0.00 H ATOM 1862 HG13 VAL B 113 20.085 12.512 -14.002 1.00 0.00 H ATOM 1863 HG21 VAL B 113 18.032 10.266 -13.721 1.00 0.00 H ATOM 1864 HG22 VAL B 113 18.890 9.128 -14.789 1.00 0.00 H ATOM 1865 HG23 VAL B 113 19.806 10.135 -13.640 1.00 0.00 H ATOM 1866 H VAL B 113 18.492 9.191 -16.952 1.00 0.00 H ATOM 1867 N LEU B 114 18.771 12.285 -18.297 1.00 31.15 N ATOM 1868 CA LEU B 114 18.895 13.354 -19.285 1.00 31.45 C ATOM 1869 C LEU B 114 17.559 13.671 -19.981 1.00 31.38 C ATOM 1870 O LEU B 114 17.198 14.844 -20.136 1.00 31.19 O ATOM 1871 CB LEU B 114 20.006 13.038 -20.298 1.00 30.89 C ATOM 1872 CG LEU B 114 21.461 13.132 -19.811 1.00 31.59 C ATOM 1873 CD1 LEU B 114 22.429 12.578 -20.879 1.00 30.15 C ATOM 1874 CD2 LEU B 114 21.858 14.575 -19.423 1.00 31.07 C ATOM 1875 HA LEU B 114 19.179 14.258 -18.747 1.00 0.00 H ATOM 1876 HB2 LEU B 114 19.845 12.020 -20.652 1.00 0.00 H ATOM 1877 HB3 LEU B 114 19.895 13.732 -21.131 1.00 0.00 H ATOM 1878 HG LEU B 114 21.536 12.522 -18.911 1.00 0.00 H ATOM 1879 HD21 LEU B 114 21.749 15.226 -20.290 1.00 0.00 H ATOM 1880 HD22 LEU B 114 21.209 14.925 -18.620 1.00 0.00 H ATOM 1881 HD23 LEU B 114 22.895 14.587 -19.086 1.00 0.00 H ATOM 1882 HD11 LEU B 114 22.189 11.533 -21.078 1.00 0.00 H ATOM 1883 HD12 LEU B 114 22.325 13.157 -21.797 1.00 0.00 H ATOM 1884 HD13 LEU B 114 23.453 12.654 -20.514 1.00 0.00 H ATOM 1885 H LEU B 114 19.361 11.434 -18.389 1.00 0.00 H ATOM 1886 N ASN B 115 16.821 12.624 -20.359 1.00 31.51 N ATOM 1887 CA ASN B 115 15.516 12.783 -21.009 1.00 31.61 C ATOM 1888 C ASN B 115 14.469 13.441 -20.092 1.00 31.80 C ATOM 1889 O ASN B 115 13.682 14.276 -20.532 1.00 31.51 O ATOM 1890 CB ASN B 115 15.017 11.445 -21.579 1.00 31.62 C ATOM 1891 CG ASN B 115 15.633 11.125 -22.953 1.00 32.20 C ATOM 1892 OD1 ASN B 115 16.224 11.993 -23.592 1.00 32.03 O ATOM 1893 ND2 ASN B 115 15.491 9.884 -23.400 1.00 30.91 N ATOM 1894 HA ASN B 115 15.659 13.471 -21.843 1.00 0.00 H ATOM 1895 HB2 ASN B 115 15.280 10.648 -20.883 1.00 0.00 H ATOM 1896 HB3 ASN B 115 13.933 11.491 -21.683 1.00 0.00 H ATOM 1897 HD22 ASN B 115 14.983 9.180 -22.827 1.00 0.00 H ATOM 1898 HD21 ASN B 115 15.887 9.615 -24.323 1.00 0.00 H ATOM 1899 H ASN B 115 17.184 11.665 -20.187 1.00 0.00 H ATOM 1900 N LEU B 116 14.487 13.060 -18.819 1.00 31.53 N ATOM 1901 CA LEU B 116 13.678 13.704 -17.792 1.00 31.98 C ATOM 1902 C LEU B 116 14.066 15.178 -17.565 1.00 32.48 C ATOM 1903 O LEU B 116 13.187 16.028 -17.423 1.00 32.34 O ATOM 1904 CB LEU B 116 13.736 12.904 -16.481 1.00 31.86 C ATOM 1905 CG LEU B 116 12.925 11.591 -16.483 1.00 32.61 C ATOM 1906 CD1 LEU B 116 13.310 10.683 -15.317 1.00 33.32 C ATOM 1907 CD2 LEU B 116 11.399 11.838 -16.481 1.00 32.79 C ATOM 1908 HA LEU B 116 12.649 13.711 -18.152 1.00 0.00 H ATOM 1909 HB2 LEU B 116 14.779 12.658 -16.280 1.00 0.00 H ATOM 1910 HB3 LEU B 116 13.353 13.537 -15.681 1.00 0.00 H ATOM 1911 HG LEU B 116 13.180 11.085 -17.414 1.00 0.00 H ATOM 1912 HD21 LEU B 116 11.125 12.401 -15.589 1.00 0.00 H ATOM 1913 HD22 LEU B 116 11.123 12.405 -17.370 1.00 0.00 H ATOM 1914 HD23 LEU B 116 10.877 10.881 -16.483 1.00 0.00 H ATOM 1915 HD11 LEU B 116 14.368 10.432 -15.388 1.00 0.00 H ATOM 1916 HD12 LEU B 116 13.120 11.201 -14.377 1.00 0.00 H ATOM 1917 HD13 LEU B 116 12.715 9.771 -15.357 1.00 0.00 H ATOM 1918 H LEU B 116 15.104 12.269 -18.544 1.00 0.00 H ATOM 1919 N TRP B 117 15.366 15.476 -17.560 1.00 32.39 N ATOM 1920 CA TRP B 117 15.840 16.854 -17.393 1.00 33.32 C ATOM 1921 C TRP B 117 15.370 17.750 -18.526 1.00 33.71 C ATOM 1922 O TRP B 117 14.981 18.903 -18.295 1.00 33.07 O ATOM 1923 CB TRP B 117 17.368 16.921 -17.313 1.00 33.18 C ATOM 1924 CG TRP B 117 17.942 16.493 -15.992 1.00 33.76 C ATOM 1925 CD1 TRP B 117 17.254 16.153 -14.866 1.00 33.46 C ATOM 1926 CD2 TRP B 117 19.333 16.420 -15.651 1.00 35.01 C ATOM 1927 NE1 TRP B 117 18.131 15.844 -13.844 1.00 33.57 N ATOM 1928 CE2 TRP B 117 19.413 16.000 -14.301 1.00 34.25 C ATOM 1929 CE3 TRP B 117 20.521 16.639 -16.363 1.00 33.53 C ATOM 1930 CZ2 TRP B 117 20.639 15.798 -13.647 1.00 34.05 C ATOM 1931 CZ3 TRP B 117 21.730 16.457 -15.711 1.00 34.39 C ATOM 1932 CH2 TRP B 117 21.779 16.034 -14.365 1.00 34.50 C ATOM 1933 HA TRP B 117 15.416 17.210 -16.454 1.00 0.00 H ATOM 1934 HB2 TRP B 117 17.779 16.274 -18.089 1.00 0.00 H ATOM 1935 HB3 TRP B 117 17.674 17.950 -17.500 1.00 0.00 H ATOM 1936 HE1 TRP B 117 17.862 15.543 -12.886 1.00 0.00 H ATOM 1937 HD1 TRP B 117 16.167 16.128 -14.783 1.00 0.00 H ATOM 1938 HZ2 TRP B 117 20.681 15.467 -12.609 1.00 0.00 H ATOM 1939 HH2 TRP B 117 22.748 15.892 -13.887 1.00 0.00 H ATOM 1940 HZ3 TRP B 117 22.660 16.644 -16.247 1.00 0.00 H ATOM 1941 HE3 TRP B 117 20.494 16.946 -17.408 1.00 0.00 H ATOM 1942 H TRP B 117 16.061 14.712 -17.678 1.00 0.00 H ATOM 1943 N GLN B 118 15.439 17.217 -19.746 1.00 34.37 N ATOM 1944 CA GLN B 118 14.955 17.916 -20.932 1.00 35.79 C ATOM 1945 C GLN B 118 13.441 18.112 -20.873 1.00 35.96 C ATOM 1946 O GLN B 118 12.964 19.239 -21.026 1.00 36.14 O ATOM 1947 CB GLN B 118 15.366 17.184 -22.218 1.00 36.02 C ATOM 1948 CG GLN B 118 15.334 18.083 -23.454 1.00 38.92 C ATOM 1949 CD GLN B 118 16.146 17.534 -24.615 1.00 42.40 C ATOM 1950 OE1 GLN B 118 17.193 18.083 -24.975 1.00 44.06 O ATOM 1951 NE2 GLN B 118 15.660 16.452 -25.217 1.00 43.70 N ATOM 1952 HA GLN B 118 15.421 18.901 -20.949 1.00 0.00 H ATOM 1953 HB2 GLN B 118 16.379 16.802 -22.092 1.00 0.00 H ATOM 1954 HB3 GLN B 118 14.682 16.350 -22.377 1.00 0.00 H ATOM 1955 HG2 GLN B 118 14.299 18.193 -23.776 1.00 0.00 H ATOM 1956 HG3 GLN B 118 15.734 19.060 -23.183 1.00 0.00 H ATOM 1957 HE22 GLN B 118 14.775 16.023 -24.880 1.00 0.00 H ATOM 1958 HE21 GLN B 118 16.165 16.035 -26.025 1.00 0.00 H ATOM 1959 H GLN B 118 15.853 16.269 -19.856 1.00 0.00 H ATOM 1960 N LYS B 119 12.709 17.020 -20.626 1.00 36.41 N ATOM 1961 CA LYS B 119 11.237 17.020 -20.548 1.00 37.05 C ATOM 1962 C LYS B 119 10.695 18.005 -19.501 1.00 37.24 C ATOM 1963 O LYS B 119 9.725 18.717 -19.751 1.00 36.66 O ATOM 1964 CB LYS B 119 10.729 15.609 -20.219 1.00 37.28 C ATOM 1965 CG LYS B 119 9.213 15.443 -20.241 1.00 38.89 C ATOM 1966 CD LYS B 119 8.767 14.252 -19.392 1.00 41.52 C ATOM 1967 CE LYS B 119 7.324 13.875 -19.713 1.00 45.30 C ATOM 1968 NZ LYS B 119 6.767 12.818 -18.802 1.00 47.17 N ATOM 1969 HA LYS B 119 10.872 17.342 -21.524 1.00 0.00 H ATOM 1970 HB2 LYS B 119 11.155 14.919 -20.947 1.00 0.00 H ATOM 1971 HB3 LYS B 119 11.083 15.347 -19.222 1.00 0.00 H ATOM 1972 HG2 LYS B 119 8.751 16.350 -19.850 1.00 0.00 H ATOM 1973 HG3 LYS B 119 8.888 15.286 -21.270 1.00 0.00 H ATOM 1974 HD2 LYS B 119 9.415 13.401 -19.600 1.00 0.00 H ATOM 1975 HD3 LYS B 119 8.843 14.515 -18.337 1.00 0.00 H ATOM 1976 HE2 LYS B 119 7.283 13.505 -20.738 1.00 0.00 H ATOM 1977 HE3 LYS B 119 6.705 14.768 -19.625 1.00 0.00 H ATOM 1978 HZ1 LYS B 119 7.341 11.955 -18.883 1.00 0.00 H ATOM 1979 HZ2 LYS B 119 6.790 13.161 -17.820 1.00 0.00 H ATOM 1980 HZ3 LYS B 119 5.785 12.609 -19.075 1.00 0.00 H ATOM 1981 H LYS B 119 13.207 16.119 -20.481 1.00 0.00 H ATOM 1982 N ASN B 120 11.322 18.027 -18.325 1.00 37.78 N ATOM 1983 CA ASN B 120 10.845 18.853 -17.221 1.00 38.51 C ATOM 1984 C ASN B 120 11.557 20.203 -17.111 1.00 38.81 C ATOM 1985 O ASN B 120 11.385 20.926 -16.128 1.00 38.41 O ATOM 1986 CB ASN B 120 10.932 18.078 -15.901 1.00 38.55 C ATOM 1987 CG ASN B 120 9.987 16.887 -15.853 1.00 39.96 C ATOM 1988 OD1 ASN B 120 8.901 16.910 -16.427 1.00 39.34 O ATOM 1989 ND2 ASN B 120 10.400 15.839 -15.151 1.00 41.67 N ATOM 1990 HA ASN B 120 9.802 19.086 -17.437 1.00 0.00 H ATOM 1991 HB2 ASN B 120 11.953 17.718 -15.775 1.00 0.00 H ATOM 1992 HB3 ASN B 120 10.683 18.754 -15.083 1.00 0.00 H ATOM 1993 HD22 ASN B 120 11.327 15.861 -14.680 1.00 0.00 H ATOM 1994 HD21 ASN B 120 9.796 14.996 -15.072 1.00 0.00 H ATOM 1995 H ASN B 120 12.171 17.442 -18.191 1.00 0.00 H ATOM 1996 N ASN B 121 12.344 20.535 -18.130 1.00 39.73 N ATOM 1997 CA ASN B 121 13.092 21.799 -18.196 1.00 40.90 C ATOM 1998 C ASN B 121 13.956 22.079 -16.961 1.00 41.38 C ATOM 1999 O ASN B 121 14.078 23.227 -16.509 1.00 41.77 O ATOM 2000 CB ASN B 121 12.153 22.972 -18.528 1.00 41.12 C ATOM 2001 CG ASN B 121 11.396 22.760 -19.832 1.00 42.52 C ATOM 2002 OD1 ASN B 121 11.998 22.633 -20.904 1.00 44.68 O ATOM 2003 ND2 ASN B 121 10.069 22.709 -19.747 1.00 43.89 N ATOM 2004 HA ASN B 121 13.806 21.689 -19.012 1.00 0.00 H ATOM 2005 HB2 ASN B 121 11.432 23.083 -17.718 1.00 0.00 H ATOM 2006 HB3 ASN B 121 12.746 23.883 -18.612 1.00 0.00 H ATOM 2007 HD22 ASN B 121 9.602 22.821 -18.824 1.00 0.00 H ATOM 2008 HD21 ASN B 121 9.499 22.557 -20.603 1.00 0.00 H ATOM 2009 H ASN B 121 12.435 19.866 -18.921 1.00 0.00 H ATOM 2010 N VAL B 122 14.540 21.011 -16.418 1.00 41.59 N ATOM 2011 CA VAL B 122 15.447 21.086 -15.283 1.00 42.26 C ATOM 2012 C VAL B 122 16.749 21.790 -15.708 1.00 42.77 C ATOM 2013 O VAL B 122 17.258 22.658 -14.995 1.00 43.04 O ATOM 2014 CB VAL B 122 15.732 19.673 -14.680 1.00 42.03 C ATOM 2015 CG1 VAL B 122 16.733 19.754 -13.545 1.00 43.28 C ATOM 2016 CG2 VAL B 122 14.444 19.018 -14.182 1.00 41.67 C ATOM 2017 HA VAL B 122 14.972 21.672 -14.496 1.00 0.00 H ATOM 2018 HB VAL B 122 16.154 19.061 -15.477 1.00 0.00 H ATOM 2019 HG11 VAL B 122 17.669 20.170 -13.917 1.00 0.00 H ATOM 2020 HG12 VAL B 122 16.337 20.395 -12.758 1.00 0.00 H ATOM 2021 HG13 VAL B 122 16.910 18.755 -13.147 1.00 0.00 H ATOM 2022 HG21 VAL B 122 13.995 19.643 -13.410 1.00 0.00 H ATOM 2023 HG22 VAL B 122 13.748 18.909 -15.014 1.00 0.00 H ATOM 2024 HG23 VAL B 122 14.674 18.036 -13.768 1.00 0.00 H ATOM 2025 H VAL B 122 14.337 20.076 -16.827 1.00 0.00 H ATOM 2026 N PHE B 123 17.272 21.410 -16.870 1.00 42.81 N ATOM 2027 CA PHE B 123 18.401 22.101 -17.479 1.00 43.26 C ATOM 2028 C PHE B 123 17.960 22.521 -18.862 1.00 43.50 C ATOM 2029 O PHE B 123 16.997 21.972 -19.402 1.00 43.84 O ATOM 2030 CB PHE B 123 19.629 21.183 -17.613 1.00 43.00 C ATOM 2031 CG PHE B 123 20.313 20.865 -16.313 1.00 42.91 C ATOM 2032 CD1 PHE B 123 19.826 19.861 -15.480 1.00 41.77 C ATOM 2033 CD2 PHE B 123 21.454 21.567 -15.923 1.00 42.49 C ATOM 2034 CE1 PHE B 123 20.457 19.563 -14.284 1.00 41.46 C ATOM 2035 CE2 PHE B 123 22.104 21.269 -14.735 1.00 40.94 C ATOM 2036 CZ PHE B 123 21.606 20.262 -13.910 1.00 42.78 C ATOM 2037 HA PHE B 123 18.688 22.947 -16.855 1.00 0.00 H ATOM 2038 HB2 PHE B 123 19.306 20.246 -18.067 1.00 0.00 H ATOM 2039 HB3 PHE B 123 20.351 21.672 -18.267 1.00 0.00 H ATOM 2040 HD2 PHE B 123 21.840 22.361 -16.562 1.00 0.00 H ATOM 2041 HE2 PHE B 123 23.000 21.819 -14.448 1.00 0.00 H ATOM 2042 HZ PHE B 123 22.112 20.021 -12.975 1.00 0.00 H ATOM 2043 HE1 PHE B 123 20.057 18.784 -13.635 1.00 0.00 H ATOM 2044 HD1 PHE B 123 18.937 19.303 -15.773 1.00 0.00 H ATOM 2045 H PHE B 123 16.861 20.591 -17.361 1.00 0.00 H ATOM 2046 N LYS B 124 18.681 23.476 -19.439 1.00 43.74 N ATOM 2047 CA LYS B 124 18.385 23.982 -20.775 1.00 43.99 C ATOM 2048 C LYS B 124 18.726 22.932 -21.837 1.00 43.63 C ATOM 2049 O LYS B 124 19.707 22.196 -21.702 1.00 43.50 O ATOM 2050 CB LYS B 124 19.137 25.302 -21.026 1.00 44.02 C ATOM 2051 CG LYS B 124 19.311 26.141 -19.752 1.00 45.30 C ATOM 2052 CD LYS B 124 19.630 27.613 -20.025 1.00 45.05 C ATOM 2053 CE LYS B 124 20.042 28.285 -18.714 1.00 46.91 C ATOM 2054 NZ LYS B 124 19.752 29.748 -18.669 1.00 47.90 N ATOM 2055 HA LYS B 124 17.317 24.187 -20.844 1.00 0.00 H ATOM 2056 HB2 LYS B 124 20.123 25.070 -21.428 1.00 0.00 H ATOM 2057 HB3 LYS B 124 18.578 25.888 -21.755 1.00 0.00 H ATOM 2058 HG2 LYS B 124 18.387 26.090 -19.177 1.00 0.00 H ATOM 2059 HG3 LYS B 124 20.126 25.714 -19.167 1.00 0.00 H ATOM 2060 HD2 LYS B 124 20.446 27.683 -20.744 1.00 0.00 H ATOM 2061 HD3 LYS B 124 18.748 28.110 -20.429 1.00 0.00 H ATOM 2062 HE2 LYS B 124 21.114 28.143 -18.577 1.00 0.00 H ATOM 2063 HE3 LYS B 124 19.505 27.803 -17.897 1.00 0.00 H ATOM 2064 HZ1 LYS B 124 20.266 30.226 -19.436 1.00 0.00 H ATOM 2065 HZ2 LYS B 124 18.730 29.901 -18.787 1.00 0.00 H ATOM 2066 HZ3 LYS B 124 20.058 30.133 -17.753 1.00 0.00 H ATOM 2067 H LYS B 124 19.487 23.878 -18.919 1.00 0.00 H ATOM 2068 N SER B 125 17.904 22.863 -22.881 1.00 43.13 N ATOM 2069 CA SER B 125 18.063 21.868 -23.943 1.00 43.22 C ATOM 2070 C SER B 125 19.438 21.973 -24.620 1.00 42.90 C ATOM 2071 O SER B 125 20.075 20.958 -24.913 1.00 42.73 O ATOM 2072 CB SER B 125 16.935 22.016 -24.963 1.00 43.63 C ATOM 2073 OG SER B 125 16.829 20.870 -25.782 1.00 45.81 O ATOM 2074 HA SER B 125 18.006 20.876 -23.494 1.00 0.00 H ATOM 2075 HB2 SER B 125 17.136 22.884 -25.591 1.00 0.00 H ATOM 2076 HB3 SER B 125 15.994 22.162 -24.433 1.00 0.00 H ATOM 2077 HG SER B 125 16.642 20.079 -25.218 1.00 0.00 H ATOM 2078 H SER B 125 17.119 23.542 -22.945 1.00 0.00 H ATOM 2079 N GLU B 126 19.886 23.211 -24.840 1.00 42.01 N ATOM 2080 CA GLU B 126 21.229 23.531 -25.342 1.00 41.56 C ATOM 2081 C GLU B 126 22.353 22.837 -24.550 1.00 40.43 C ATOM 2082 O GLU B 126 23.369 22.436 -25.119 1.00 39.98 O ATOM 2083 CB GLU B 126 21.423 25.055 -25.292 1.00 41.65 C ATOM 2084 CG GLU B 126 22.789 25.560 -25.741 1.00 42.64 C ATOM 2085 CD GLU B 126 23.029 27.014 -25.357 1.00 42.77 C ATOM 2086 OE1 GLU B 126 23.052 27.323 -24.143 1.00 45.54 O ATOM 2087 OE2 GLU B 126 23.202 27.844 -26.269 1.00 44.59 O ATOM 2088 HA GLU B 126 21.296 23.159 -26.364 1.00 0.00 H ATOM 2089 HB2 GLU B 126 20.669 25.511 -25.934 1.00 0.00 H ATOM 2090 HB3 GLU B 126 21.267 25.380 -24.263 1.00 0.00 H ATOM 2091 HG2 GLU B 126 23.559 24.944 -25.277 1.00 0.00 H ATOM 2092 HG3 GLU B 126 22.857 25.469 -26.825 1.00 0.00 H ATOM 2093 H GLU B 126 19.241 24.002 -24.643 1.00 0.00 H ATOM 2094 N ILE B 127 22.162 22.714 -23.239 1.00 39.30 N ATOM 2095 CA ILE B 127 23.122 22.058 -22.353 1.00 38.36 C ATOM 2096 C ILE B 127 23.002 20.519 -22.434 1.00 37.59 C ATOM 2097 O ILE B 127 24.012 19.799 -22.430 1.00 38.00 O ATOM 2098 CB ILE B 127 22.942 22.551 -20.866 1.00 38.71 C ATOM 2099 CG1 ILE B 127 23.202 24.068 -20.709 1.00 39.78 C ATOM 2100 CG2 ILE B 127 23.762 21.708 -19.865 1.00 38.02 C ATOM 2101 CD1 ILE B 127 24.476 24.611 -21.381 1.00 39.54 C ATOM 2102 HA ILE B 127 24.122 22.334 -22.688 1.00 0.00 H ATOM 2103 HB ILE B 127 21.893 22.394 -20.617 1.00 0.00 H ATOM 2104 HG12 ILE B 127 22.350 24.598 -21.134 1.00 0.00 H ATOM 2105 HG13 ILE B 127 23.269 24.286 -19.643 1.00 0.00 H ATOM 2106 HD11 ILE B 127 25.348 24.110 -20.961 1.00 0.00 H ATOM 2107 HD12 ILE B 127 24.428 24.422 -22.453 1.00 0.00 H ATOM 2108 HD13 ILE B 127 24.550 25.684 -21.202 1.00 0.00 H ATOM 2109 HG21 ILE B 127 23.439 20.668 -19.918 1.00 0.00 H ATOM 2110 HG22 ILE B 127 24.820 21.775 -20.117 1.00 0.00 H ATOM 2111 HG23 ILE B 127 23.603 22.088 -18.856 1.00 0.00 H ATOM 2112 H ILE B 127 21.290 23.102 -22.826 1.00 0.00 H ATOM 2113 N ILE B 128 21.765 20.041 -22.536 1.00 36.46 N ATOM 2114 CA ILE B 128 21.451 18.607 -22.500 1.00 35.84 C ATOM 2115 C ILE B 128 21.830 17.847 -23.775 1.00 35.39 C ATOM 2116 O ILE B 128 22.282 16.702 -23.712 1.00 35.14 O ATOM 2117 CB ILE B 128 19.945 18.371 -22.162 1.00 35.85 C ATOM 2118 CG1 ILE B 128 19.624 18.855 -20.741 1.00 35.48 C ATOM 2119 CG2 ILE B 128 19.539 16.892 -22.348 1.00 35.70 C ATOM 2120 CD1 ILE B 128 20.577 18.344 -19.657 1.00 35.67 C ATOM 2121 HA ILE B 128 22.075 18.198 -21.706 1.00 0.00 H ATOM 2122 HB ILE B 128 19.356 18.958 -22.866 1.00 0.00 H ATOM 2123 HG12 ILE B 128 19.659 19.944 -20.738 1.00 0.00 H ATOM 2124 HG13 ILE B 128 18.616 18.525 -20.490 1.00 0.00 H ATOM 2125 HD11 ILE B 128 20.547 17.255 -19.633 1.00 0.00 H ATOM 2126 HD12 ILE B 128 21.591 18.676 -19.881 1.00 0.00 H ATOM 2127 HD13 ILE B 128 20.269 18.739 -18.689 1.00 0.00 H ATOM 2128 HG21 ILE B 128 19.708 16.598 -23.384 1.00 0.00 H ATOM 2129 HG22 ILE B 128 20.140 16.266 -21.689 1.00 0.00 H ATOM 2130 HG23 ILE B 128 18.484 16.773 -22.102 1.00 0.00 H ATOM 2131 H ILE B 128 20.982 20.716 -22.647 1.00 0.00 H ATOM 2132 N GLN B 129 21.636 18.478 -24.924 1.00 34.71 N ATOM 2133 CA GLN B 129 21.818 17.789 -26.198 1.00 34.50 C ATOM 2134 C GLN B 129 23.225 17.178 -26.428 1.00 33.26 C ATOM 2135 O GLN B 129 23.319 16.043 -26.879 1.00 33.12 O ATOM 2136 CB GLN B 129 21.357 18.656 -27.383 1.00 34.81 C ATOM 2137 CG GLN B 129 21.036 17.861 -28.658 1.00 37.59 C ATOM 2138 CD GLN B 129 20.037 16.722 -28.431 1.00 39.58 C ATOM 2139 OE1 GLN B 129 18.949 16.925 -27.885 1.00 41.03 O ATOM 2140 NE2 GLN B 129 20.414 15.517 -28.847 1.00 40.15 N ATOM 2141 HA GLN B 129 21.163 16.920 -26.136 1.00 0.00 H ATOM 2142 HB2 GLN B 129 20.460 19.197 -27.082 1.00 0.00 H ATOM 2143 HB3 GLN B 129 22.149 19.368 -27.614 1.00 0.00 H ATOM 2144 HG2 GLN B 129 20.618 18.546 -29.396 1.00 0.00 H ATOM 2145 HG3 GLN B 129 21.963 17.436 -29.043 1.00 0.00 H ATOM 2146 HE22 GLN B 129 21.340 15.390 -29.303 1.00 0.00 H ATOM 2147 HE21 GLN B 129 19.783 14.701 -28.717 1.00 0.00 H ATOM 2148 H GLN B 129 21.350 19.478 -24.918 1.00 0.00 H ATOM 2149 N PRO B 130 24.309 17.936 -26.153 1.00 32.56 N ATOM 2150 CA PRO B 130 25.641 17.329 -26.308 1.00 31.90 C ATOM 2151 C PRO B 130 25.861 16.139 -25.355 1.00 30.87 C ATOM 2152 O PRO B 130 26.579 15.204 -25.702 1.00 30.00 O ATOM 2153 CB PRO B 130 26.602 18.491 -25.971 1.00 32.23 C ATOM 2154 CG PRO B 130 25.789 19.735 -26.195 1.00 32.41 C ATOM 2155 CD PRO B 130 24.408 19.355 -25.757 1.00 32.28 C ATOM 2156 HA PRO B 130 25.789 16.914 -27.305 1.00 0.00 H ATOM 2157 HD3 PRO B 130 24.294 19.470 -24.679 1.00 0.00 H ATOM 2158 HD2 PRO B 130 23.656 19.957 -26.267 1.00 0.00 H ATOM 2159 HG3 PRO B 130 25.797 20.018 -27.248 1.00 0.00 H ATOM 2160 HG2 PRO B 130 26.172 20.561 -25.595 1.00 0.00 H ATOM 2161 HB2 PRO B 130 26.932 18.429 -24.934 1.00 0.00 H ATOM 2162 HB3 PRO B 130 27.471 18.475 -26.629 1.00 0.00 H ATOM 2163 N LEU B 131 25.230 16.177 -24.184 1.00 30.17 N ATOM 2164 CA LEU B 131 25.278 15.066 -23.231 1.00 30.11 C ATOM 2165 C LEU B 131 24.619 13.795 -23.800 1.00 29.96 C ATOM 2166 O LEU B 131 25.133 12.694 -23.619 1.00 29.56 O ATOM 2167 CB LEU B 131 24.634 15.462 -21.892 1.00 29.64 C ATOM 2168 CG LEU B 131 25.220 16.707 -21.204 1.00 31.37 C ATOM 2169 CD1 LEU B 131 24.494 16.971 -19.884 1.00 28.78 C ATOM 2170 CD2 LEU B 131 26.728 16.548 -20.972 1.00 29.14 C ATOM 2171 HA LEU B 131 26.329 14.838 -23.053 1.00 0.00 H ATOM 2172 HB2 LEU B 131 23.575 15.648 -22.073 1.00 0.00 H ATOM 2173 HB3 LEU B 131 24.742 14.620 -21.208 1.00 0.00 H ATOM 2174 HG LEU B 131 25.072 17.564 -21.861 1.00 0.00 H ATOM 2175 HD21 LEU B 131 26.907 15.680 -20.337 1.00 0.00 H ATOM 2176 HD22 LEU B 131 27.229 16.409 -21.930 1.00 0.00 H ATOM 2177 HD23 LEU B 131 27.116 17.443 -20.484 1.00 0.00 H ATOM 2178 HD11 LEU B 131 23.435 17.136 -20.080 1.00 0.00 H ATOM 2179 HD12 LEU B 131 24.613 16.110 -19.227 1.00 0.00 H ATOM 2180 HD13 LEU B 131 24.919 17.855 -19.408 1.00 0.00 H ATOM 2181 H LEU B 131 24.683 17.026 -23.937 1.00 0.00 H ATOM 2182 N LEU B 132 23.485 13.963 -24.478 1.00 30.01 N ATOM 2183 CA LEU B 132 22.799 12.839 -25.143 1.00 30.20 C ATOM 2184 C LEU B 132 23.608 12.305 -26.330 1.00 30.31 C ATOM 2185 O LEU B 132 23.731 11.087 -26.501 1.00 30.17 O ATOM 2186 CB LEU B 132 21.391 13.247 -25.590 1.00 30.14 C ATOM 2187 CG LEU B 132 20.320 13.413 -24.505 1.00 30.28 C ATOM 2188 CD1 LEU B 132 19.108 14.211 -25.044 1.00 30.05 C ATOM 2189 CD2 LEU B 132 19.859 12.058 -23.941 1.00 31.83 C ATOM 2190 HA LEU B 132 22.711 12.034 -24.414 1.00 0.00 H ATOM 2191 HB2 LEU B 132 21.478 14.200 -26.111 1.00 0.00 H ATOM 2192 HB3 LEU B 132 21.036 12.486 -26.285 1.00 0.00 H ATOM 2193 HG LEU B 132 20.775 13.974 -23.689 1.00 0.00 H ATOM 2194 HD21 LEU B 132 19.439 11.455 -24.746 1.00 0.00 H ATOM 2195 HD22 LEU B 132 20.712 11.539 -23.503 1.00 0.00 H ATOM 2196 HD23 LEU B 132 19.101 12.223 -23.176 1.00 0.00 H ATOM 2197 HD11 LEU B 132 19.439 15.199 -25.365 1.00 0.00 H ATOM 2198 HD12 LEU B 132 18.672 13.680 -25.890 1.00 0.00 H ATOM 2199 HD13 LEU B 132 18.363 14.315 -24.255 1.00 0.00 H ATOM 2200 H LEU B 132 23.071 14.915 -24.540 1.00 0.00 H ATOM 2201 N ASP B 133 24.152 13.222 -27.137 1.00 30.29 N ATOM 2202 CA ASP B 133 25.054 12.884 -28.250 1.00 30.25 C ATOM 2203 C ASP B 133 26.229 12.027 -27.785 1.00 30.03 C ATOM 2204 O ASP B 133 26.610 11.063 -28.441 1.00 29.15 O ATOM 2205 CB ASP B 133 25.582 14.159 -28.924 1.00 30.44 C ATOM 2206 CG ASP B 133 24.493 14.943 -29.667 1.00 30.82 C ATOM 2207 OD1 ASP B 133 23.367 14.430 -29.858 1.00 31.76 O ATOM 2208 OD2 ASP B 133 24.774 16.085 -30.072 1.00 31.23 O ATOM 2209 HA ASP B 133 24.474 12.307 -28.970 1.00 0.00 H ATOM 2210 HB2 ASP B 133 26.012 14.804 -28.158 1.00 0.00 H ATOM 2211 HB3 ASP B 133 26.356 13.879 -29.638 1.00 0.00 H ATOM 2212 H ASP B 133 23.927 14.223 -26.970 1.00 0.00 H ATOM 2213 N MET B 134 26.789 12.385 -26.636 1.00 30.29 N ATOM 2214 CA MET B 134 27.857 11.619 -26.016 1.00 31.54 C ATOM 2215 C MET B 134 27.452 10.172 -25.714 1.00 30.56 C ATOM 2216 O MET B 134 28.251 9.258 -25.916 1.00 29.94 O ATOM 2217 CB MET B 134 28.316 12.310 -24.730 1.00 31.13 C ATOM 2218 CG MET B 134 29.281 13.479 -24.967 1.00 32.97 C ATOM 2219 SD MET B 134 29.720 14.291 -23.408 1.00 36.72 S ATOM 2220 CE MET B 134 30.643 12.958 -22.648 1.00 34.11 C ATOM 2221 HA MET B 134 28.677 11.578 -26.733 1.00 0.00 H ATOM 2222 HB2 MET B 134 27.436 12.690 -24.211 1.00 0.00 H ATOM 2223 HB3 MET B 134 28.816 11.572 -24.103 1.00 0.00 H ATOM 2224 HG2 MET B 134 28.805 14.206 -25.625 1.00 0.00 H ATOM 2225 HG3 MET B 134 30.188 13.102 -25.440 1.00 0.00 H ATOM 2226 HE1 MET B 134 29.997 12.087 -22.537 1.00 0.00 H ATOM 2227 HE2 MET B 134 31.494 12.702 -23.278 1.00 0.00 H ATOM 2228 HE3 MET B 134 30.998 13.276 -21.668 1.00 0.00 H ATOM 2229 H MET B 134 26.451 13.246 -26.161 1.00 0.00 H ATOM 2230 N ALA B 135 26.225 9.969 -25.216 1.00 30.03 N ATOM 2231 CA ALA B 135 25.728 8.615 -24.962 1.00 30.08 C ATOM 2232 C ALA B 135 25.715 7.810 -26.246 1.00 29.96 C ATOM 2233 O ALA B 135 26.247 6.692 -26.293 1.00 30.65 O ATOM 2234 CB ALA B 135 24.333 8.639 -24.315 1.00 30.27 C ATOM 2235 HA ALA B 135 26.406 8.134 -24.257 1.00 0.00 H ATOM 2236 HB1 ALA B 135 24.383 9.173 -23.366 1.00 0.00 H ATOM 2237 HB2 ALA B 135 23.634 9.145 -24.981 1.00 0.00 H ATOM 2238 HB3 ALA B 135 23.997 7.617 -24.141 1.00 0.00 H ATOM 2239 H ALA B 135 25.616 10.786 -25.007 1.00 0.00 H ATOM 2240 N ALA B 136 25.127 8.396 -27.292 1.00 29.22 N ATOM 2241 CA ALA B 136 24.983 7.752 -28.596 1.00 28.42 C ATOM 2242 C ALA B 136 26.323 7.405 -29.251 1.00 28.46 C ATOM 2243 O ALA B 136 26.466 6.336 -29.859 1.00 26.90 O ATOM 2244 CB ALA B 136 24.159 8.633 -29.519 1.00 28.23 C ATOM 2245 HA ALA B 136 24.469 6.806 -28.425 1.00 0.00 H ATOM 2246 HB1 ALA B 136 23.172 8.790 -29.084 1.00 0.00 H ATOM 2247 HB2 ALA B 136 24.659 9.593 -29.645 1.00 0.00 H ATOM 2248 HB3 ALA B 136 24.057 8.146 -30.489 1.00 0.00 H ATOM 2249 H ALA B 136 24.753 9.359 -27.173 1.00 0.00 H ATOM 2250 N ALA B 137 27.300 8.309 -29.125 1.00 28.85 N ATOM 2251 CA ALA B 137 28.608 8.107 -29.742 1.00 29.98 C ATOM 2252 C ALA B 137 29.308 6.877 -29.146 1.00 30.80 C ATOM 2253 O ALA B 137 29.876 6.069 -29.879 1.00 30.71 O ATOM 2254 CB ALA B 137 29.466 9.351 -29.604 1.00 29.96 C ATOM 2255 HA ALA B 137 28.460 7.922 -30.806 1.00 0.00 H ATOM 2256 HB1 ALA B 137 28.971 10.189 -30.095 1.00 0.00 H ATOM 2257 HB2 ALA B 137 29.606 9.579 -28.547 1.00 0.00 H ATOM 2258 HB3 ALA B 137 30.435 9.176 -30.071 1.00 0.00 H ATOM 2259 H ALA B 137 27.125 9.175 -28.576 1.00 0.00 H ATOM 2260 N LEU B 138 29.235 6.735 -27.823 1.00 31.89 N ATOM 2261 CA LEU B 138 29.779 5.568 -27.131 1.00 33.76 C ATOM 2262 C LEU B 138 29.076 4.254 -27.519 1.00 34.97 C ATOM 2263 O LEU B 138 29.712 3.198 -27.542 1.00 34.61 O ATOM 2264 CB LEU B 138 29.700 5.758 -25.613 1.00 33.99 C ATOM 2265 CG LEU B 138 30.610 6.776 -24.920 1.00 34.19 C ATOM 2266 CD1 LEU B 138 30.130 6.971 -23.504 1.00 34.71 C ATOM 2267 CD2 LEU B 138 32.080 6.375 -24.930 1.00 35.08 C ATOM 2268 HA LEU B 138 30.820 5.486 -27.445 1.00 0.00 H ATOM 2269 HB2 LEU B 138 28.674 6.046 -25.385 1.00 0.00 H ATOM 2270 HB3 LEU B 138 29.912 4.788 -25.163 1.00 0.00 H ATOM 2271 HG LEU B 138 30.549 7.709 -25.481 1.00 0.00 H ATOM 2272 HD21 LEU B 138 32.199 5.422 -24.414 1.00 0.00 H ATOM 2273 HD22 LEU B 138 32.421 6.276 -25.960 1.00 0.00 H ATOM 2274 HD23 LEU B 138 32.668 7.140 -24.423 1.00 0.00 H ATOM 2275 HD11 LEU B 138 29.104 7.340 -23.517 1.00 0.00 H ATOM 2276 HD12 LEU B 138 30.169 6.019 -22.974 1.00 0.00 H ATOM 2277 HD13 LEU B 138 30.771 7.695 -23.001 1.00 0.00 H ATOM 2278 H LEU B 138 28.775 7.481 -27.263 1.00 0.00 H ATOM 2279 N GLU B 139 27.773 4.332 -27.811 1.00 36.09 N ATOM 2280 CA GLU B 139 26.978 3.163 -28.231 1.00 37.03 C ATOM 2281 C GLU B 139 27.445 2.595 -29.555 1.00 37.56 C ATOM 2282 O GLU B 139 27.432 1.381 -29.766 1.00 37.96 O ATOM 2283 CB GLU B 139 25.487 3.505 -28.338 1.00 36.96 C ATOM 2284 CG GLU B 139 24.773 3.659 -27.009 1.00 36.93 C ATOM 2285 CD GLU B 139 24.898 2.439 -26.106 1.00 37.01 C ATOM 2286 OE1 GLU B 139 25.057 1.303 -26.611 1.00 36.67 O ATOM 2287 OE2 GLU B 139 24.818 2.623 -24.875 1.00 37.32 O ATOM 2288 HA GLU B 139 27.125 2.410 -27.456 1.00 0.00 H ATOM 2289 HB2 GLU B 139 25.392 4.443 -28.885 1.00 0.00 H ATOM 2290 HB3 GLU B 139 24.995 2.709 -28.897 1.00 0.00 H ATOM 2291 HG2 GLU B 139 25.195 4.519 -26.488 1.00 0.00 H ATOM 2292 HG3 GLU B 139 23.715 3.837 -27.204 1.00 0.00 H ATOM 2293 H GLU B 139 27.301 5.256 -27.739 1.00 0.00 H ATOM 2294 N HIS B 140 27.862 3.482 -30.454 1.00 38.59 N ATOM 2295 CA HIS B 140 28.374 3.073 -31.756 1.00 40.02 C ATOM 2296 C HIS B 140 29.826 2.585 -31.724 1.00 41.09 C ATOM 2297 O HIS B 140 30.211 1.696 -32.502 1.00 41.61 O ATOM 2298 CB HIS B 140 28.242 4.217 -32.757 1.00 39.88 C ATOM 2299 CG HIS B 140 26.836 4.470 -33.201 1.00 39.21 C ATOM 2300 ND1 HIS B 140 26.131 5.593 -32.830 1.00 38.55 N ATOM 2301 CD2 HIS B 140 26.007 3.747 -33.991 1.00 37.78 C ATOM 2302 CE1 HIS B 140 24.930 5.554 -33.377 1.00 38.24 C ATOM 2303 NE2 HIS B 140 24.829 4.444 -34.086 1.00 37.56 N ATOM 2304 HA HIS B 140 27.765 2.223 -32.064 1.00 0.00 H ATOM 2305 HB2 HIS B 140 28.625 5.126 -32.293 1.00 0.00 H ATOM 2306 HB3 HIS B 140 28.842 3.977 -33.635 1.00 0.00 H ATOM 2307 HD2 HIS B 140 26.233 2.791 -34.463 1.00 0.00 H ATOM 2308 HE1 HIS B 140 24.153 6.310 -33.263 1.00 0.00 H ATOM 2309 H HIS B 140 27.822 4.495 -30.222 1.00 0.00 H ATOM 2310 N HIS B 141 30.623 3.173 -30.834 1.00 42.20 N ATOM 2311 CA HIS B 141 32.058 2.893 -30.745 1.00 43.13 C ATOM 2312 C HIS B 141 32.356 1.529 -30.126 1.00 43.30 C ATOM 2313 O HIS B 141 33.184 0.775 -30.643 1.00 43.38 O ATOM 2314 CB HIS B 141 32.775 3.996 -29.959 1.00 43.57 C ATOM 2315 CG HIS B 141 33.135 5.191 -30.788 1.00 45.18 C ATOM 2316 ND1 HIS B 141 32.481 6.400 -30.680 1.00 46.67 N ATOM 2317 CD2 HIS B 141 34.082 5.360 -31.742 1.00 46.22 C ATOM 2318 CE1 HIS B 141 33.005 7.261 -31.534 1.00 46.11 C ATOM 2319 NE2 HIS B 141 33.981 6.656 -32.188 1.00 46.94 N ATOM 2320 HA HIS B 141 32.436 2.872 -31.767 1.00 0.00 H ATOM 2321 HB2 HIS B 141 32.122 4.323 -29.150 1.00 0.00 H ATOM 2322 HB3 HIS B 141 33.691 3.580 -29.539 1.00 0.00 H ATOM 2323 HD2 HIS B 141 34.791 4.609 -32.090 1.00 0.00 H ATOM 2324 HE1 HIS B 141 32.687 8.294 -31.675 1.00 0.00 H ATOM 2325 H HIS B 141 30.209 3.861 -30.173 1.00 0.00 H TER 2326 HIS B 141 HETATM 2327 O HOH 1 28.782 19.326 -13.165 1.00 23.82 O HETATM 2328 O HOH 2 30.210 22.630 -12.280 1.00 20.73 O HETATM 2329 O HOH 3 11.575 20.404 -8.704 1.00 24.99 O HETATM 2330 O HOH 4 17.540 20.340 4.084 1.00 27.18 O HETATM 2331 O HOH 5 30.948 10.068 -26.160 1.00 23.22 O HETATM 2332 O HOH 6 33.806 4.743 -4.705 1.00 31.69 O HETATM 2333 O HOH 7 13.410 9.642 -19.171 1.00 28.20 O HETATM 2334 O HOH 8 17.771 6.471 -14.395 1.00 20.40 O HETATM 2335 O HOH 9 24.922 20.110 5.600 1.00 23.83 O HETATM 2336 O HOH 10 33.080 14.765 -12.267 1.00 23.86 O HETATM 2337 O HOH 11 17.185 25.732 -11.906 1.00 24.56 O HETATM 2338 O HOH 12 24.186 29.162 -9.142 1.00 24.30 O HETATM 2339 O HOH 13 31.505 24.639 -7.825 1.00 29.08 O HETATM 2340 O HOH 14 24.104 26.998 4.386 1.00 27.57 O HETATM 2341 O HOH 15 27.068 3.361 -12.265 1.00 30.32 O HETATM 2342 O HOH 16 8.968 28.038 -9.186 1.00 49.30 O HETATM 2343 O HOH 17 18.948 27.204 -4.584 1.00 25.19 O HETATM 2344 O HOH 18 30.450 9.100 5.696 1.00 29.45 O HETATM 2345 O HOH 19 17.851 28.476 -11.369 1.00 23.66 O HETATM 2346 O HOH 20 35.372 19.755 0.824 1.00 37.32 O HETATM 2347 O HOH 21 33.008 17.497 -13.208 1.00 23.46 O HETATM 2348 O HOH 22 15.668 20.143 2.171 1.00 29.77 O HETATM 2349 O HOH 23 23.184 22.418 -28.059 1.00 35.21 O HETATM 2350 O HOH 24 21.120 2.948 0.142 1.00 29.83 O HETATM 2351 O HOH 25 23.040 0.719 -21.156 1.00 34.18 O HETATM 2352 O HOH 26 14.848 21.580 -21.373 1.00 35.74 O HETATM 2353 O HOH 27 26.134 -0.976 -12.031 1.00 45.67 O HETATM 2354 O HOH 28 9.031 24.867 -7.853 1.00 45.84 O HETATM 2355 O HOH 29 14.735 15.729 -4.713 1.00 29.39 O HETATM 2356 O HOH 30 16.019 9.865 4.935 1.00 36.41 O HETATM 2357 O HOH 31 21.443 3.997 -7.174 1.00 27.05 O HETATM 2358 O HOH 32 19.063 32.719 -6.862 1.00 38.70 O HETATM 2359 O HOH 33 23.727 30.775 -0.818 1.00 40.08 O HETATM 2360 O HOH 34 30.484 21.868 -19.181 1.00 39.86 O HETATM 2361 O HOH 35 33.018 22.506 -9.352 1.00 36.64 O HETATM 2362 O HOH 36 33.390 20.695 -18.198 1.00 32.17 O HETATM 2363 O HOH 37 31.863 24.384 -11.032 1.00 40.11 O HETATM 2364 O HOH 38 35.041 20.016 -10.439 1.00 44.08 O HETATM 2365 O HOH 39 16.837 3.151 -17.383 1.00 35.83 O HETATM 2366 O HOH 40 17.855 25.074 -14.366 1.00 30.08 O HETATM 2367 O HOH 41 22.648 29.311 5.334 1.00 27.81 O HETATM 2368 O HOH 42 23.003 31.572 1.629 1.00 34.78 O HETATM 2369 O HOH 43 18.689 4.468 -6.732 1.00 39.70 O HETATM 2370 O HOH 44 11.052 30.582 -9.201 1.00 46.14 O HETATM 2371 O HOH 45 20.891 14.735 6.079 1.00 21.76 O HETATM 2372 O HOH 46 16.782 12.127 6.129 1.00 43.16 O HETATM 2373 O HOH 47 26.064 32.001 -1.155 1.00 38.88 O HETATM 2374 O HOH 48 25.338 1.430 -10.167 1.00 36.24 O HETATM 2375 O HOH 49 22.222 2.672 -9.413 1.00 36.31 O HETATM 2376 O HOH 50 12.535 20.503 -10.957 1.00 36.67 O HETATM 2377 O HOH 51 12.819 15.551 -13.782 1.00 45.67 O HETATM 2378 O HOH 52 15.636 25.133 -22.760 1.00 44.43 O HETATM 2379 O HOH 53 17.948 25.734 -24.943 1.00 45.22 O HETATM 2380 O HOH 54 26.330 29.578 -13.660 1.00 40.19 O HETATM 2381 O HOH 55 23.427 -1.908 1.248 1.00 36.09 O HETATM 2382 O HOH 56 32.258 -0.793 -9.598 1.00 48.50 O HETATM 2383 O HOH 57 11.424 11.544 -19.862 1.00 42.30 O HETATM 2384 O HOH 58 35.137 9.340 -4.873 1.00 40.28 O HETATM 2385 O HOH 59 36.459 20.474 -15.597 1.00 51.08 O HETATM 2386 O HOH 60 10.608 17.487 -0.234 1.00 41.40 O HETATM 2387 O HOH 61 31.358 -2.854 -18.954 1.00 39.60 O HETATM 2388 O HOH 62 31.383 28.667 -1.718 1.00 36.64 O HETATM 2389 O HOH 63 12.735 25.629 -15.693 1.00 43.21 O HETATM 2390 O HOH 64 10.056 25.218 -16.879 1.00 56.21 O HETATM 2391 O HOH 65 18.438 2.817 -10.911 1.00 36.16 O HETATM 2392 O HOH 66 33.897 14.363 -3.133 1.00 39.90 O HETATM 2393 O HOH 67 17.582 0.660 -2.301 1.00 38.99 O HETATM 2394 O HOH 68 21.411 30.947 3.837 1.00 29.08 O HETATM 2395 O HOH 69 34.161 21.322 -1.337 1.00 48.04 O HETATM 2396 O HOH 70 36.419 22.275 -9.723 1.00 51.18 O HETATM 2397 O HOH 71 35.376 24.635 -10.429 1.00 53.40 O HETATM 2398 O HOH 72 34.457 7.443 -3.395 1.00 38.93 O HETATM 2399 O HOH 73 14.629 13.613 -12.900 1.00 33.62 O HETATM 2400 O HOH 74 9.750 19.593 1.589 1.00 48.42 O HETATM 2401 O HOH 75 13.997 17.647 1.713 1.00 43.17 O HETATM 2402 O HOH 76 11.068 31.566 -4.437 1.00 30.93 O HETATM 2403 O HOH 77 10.978 34.293 -5.126 1.00 32.47 O HETATM 2404 O HOH 78 8.922 31.302 -5.981 1.00 29.98 O HETATM 2405 O HOH 79 8.063 29.017 -6.922 1.00 42.51 O HETATM 2406 O HOH 80 38.122 15.194 -16.082 1.00 27.25 O HETATM 2407 O HOH 81 29.239 29.102 -2.389 1.00 32.78 O HETATM 2408 O HOH 82 31.750 32.319 -3.260 1.00 51.52 O HETATM 2409 O HOH 83 10.228 22.721 -9.123 1.00 49.29 O HETATM 2410 O HOH 84 15.785 12.717 -2.628 1.00 41.60 O HETATM 2411 O HOH 85 20.448 25.951 -15.286 1.00 41.47 O HETATM 2412 O HOH 86 18.236 29.499 -3.772 1.00 44.60 O HETATM 2413 O HOH 87 25.885 28.091 -16.060 1.00 43.61 O HETATM 2414 O HOH 88 7.359 25.213 -10.403 1.00 49.08 O HETATM 2415 O HOH 89 36.769 9.608 -13.865 1.00 44.65 O HETATM 2416 O HOH 90 12.359 2.647 -7.171 1.00 37.44 O HETATM 2417 O HOH 91 14.063 4.156 0.998 1.00 45.46 O HETATM 2418 O HOH 92 9.726 5.377 -9.233 1.00 50.78 O HETATM 2419 O HOH 93 8.281 6.003 -7.064 1.00 52.27 O HETATM 2420 N PRO A 94 13.311 0.689 -0.666 1.00 0.25 N HETATM 2421 CA PRO A 94 12.813 1.427 -1.818 1.00 0.07 C HETATM 2422 C PRO A 94 13.889 2.343 -2.365 1.00 0.23 C HETATM 2423 O PRO A 94 14.266 3.311 -1.711 1.00 -0.39 O HETATM 2424 N PRO A 94 14.372 2.025 -3.561 1.00 -0.26 N HETATM 2425 CA PRO A 94 15.484 2.734 -4.176 1.00 0.15 C HETATM 2426 C PRO A 94 15.060 4.040 -4.839 1.00 0.21 C HETATM 2427 O PRO A 94 13.921 4.174 -5.305 1.00 -0.39 O HETATM 2428 N PRO A 94 15.994 4.992 -4.871 1.00 -0.26 N HETATM 2429 CA PRO A 94 15.798 6.282 -5.530 1.00 0.14 C HETATM 2430 C PRO A 94 15.493 6.121 -7.018 1.00 0.21 C HETATM 2431 O PRO A 94 16.125 5.318 -7.720 1.00 -0.39 O HETATM 2432 N PRO A 94 14.509 6.884 -7.483 1.00 -0.26 N HETATM 2433 CA PRO A 94 14.215 6.971 -8.900 1.00 0.16 C HETATM 2434 CB PRO A 94 12.993 6.118 -9.263 1.00 0.12 C HETATM 2435 OG PRO A 94 12.558 6.416 -10.578 1.00 -0.27 O HETATM 2436 P PRO A 94 12.452 5.129 -11.550 1.00 0.20 P HETATM 2437 O1P PRO A 94 10.993 4.466 -11.405 1.00 -0.55 O HETATM 2438 O2P PRO A 94 12.658 5.639 -13.065 1.00 -0.55 O HETATM 2439 O3P PRO A 94 13.590 4.037 -11.205 1.00 -0.55 O HETATM 2440 H26 PRO A 94 12.179 6.331 -8.555 1.00 0.07 H HETATM 2441 H27 PRO A 94 13.263 5.053 -9.203 1.00 0.07 H HETATM 2442 C PRO A 94 14.011 8.429 -9.315 1.00 0.21 C HETATM 2443 O PRO A 94 13.287 9.171 -8.640 1.00 -0.39 O HETATM 2444 N PRO A 94 14.644 8.838 -10.438 1.00 -0.25 N HETATM 2445 CA PRO A 94 14.532 10.204 -10.981 1.00 0.13 C HETATM 2446 C PRO A 94 13.121 10.577 -11.443 1.00 0.20 C HETATM 2447 O PRO A 94 12.833 11.761 -11.603 1.00 -0.39 O HETATM 2448 N PRO A 94 12.268 9.577 -11.666 1.00 -0.26 N HETATM 2449 CA PRO A 94 10.894 9.802 -12.136 1.00 0.16 C HETATM 2450 C PRO A 94 9.951 10.263 -11.028 1.00 0.21 C HETATM 2451 O PRO A 94 8.926 10.893 -11.299 1.00 -0.39 O HETATM 2452 N PRO A 94 10.291 9.934 -9.785 1.00 -0.26 N HETATM 2453 CA PRO A 94 9.401 10.177 -8.651 1.00 0.16 C HETATM 2454 CB PRO A 94 9.507 9.032 -7.641 1.00 0.12 C HETATM 2455 OG PRO A 94 10.861 8.752 -7.350 1.00 -0.27 O HETATM 2456 P PRO A 94 11.031 8.061 -5.904 1.00 0.20 P HETATM 2457 O1P PRO A 94 10.572 6.515 -5.975 1.00 -0.55 O HETATM 2458 O2P PRO A 94 12.596 8.154 -5.522 1.00 -0.55 O HETATM 2459 O3P PRO A 94 10.124 8.822 -4.802 1.00 -0.55 O HETATM 2460 H44 PRO A 94 9.034 8.133 -8.062 1.00 0.07 H HETATM 2461 H45 PRO A 94 8.989 9.318 -6.714 1.00 0.07 H HETATM 2462 C PRO A 94 9.658 11.522 -7.966 1.00 0.21 C HETATM 2463 O PRO A 94 10.811 11.961 -7.880 1.00 -0.39 O HETATM 2464 N PRO A 94 8.579 12.180 -7.484 1.00 -0.25 N HETATM 2465 CA PRO A 94 8.675 13.465 -6.787 1.00 0.12 C HETATM 2466 C PRO A 94 9.509 13.381 -5.511 1.00 0.12 C HETATM 2467 O PRO A 94 9.754 14.403 -4.866 1.00 -0.37 O HETATM 2468 H47 PRO A 94 9.888 12.418 -5.170 1.00 0.14 H HETATM 2469 CB PRO A 94 7.212 13.791 -6.440 1.00 -0.01 C HETATM 2470 CG PRO A 94 6.400 12.990 -7.390 1.00 -0.03 C HETATM 2471 CD PRO A 94 7.178 11.729 -7.593 1.00 0.04 C HETATM 2472 H52 PRO A 94 6.940 10.988 -6.815 1.00 0.05 H HETATM 2473 H53 PRO A 94 6.978 11.297 -8.585 1.00 0.05 H HETATM 2474 H50 PRO A 94 6.277 13.527 -8.342 1.00 0.03 H HETATM 2475 H51 PRO A 94 5.410 12.770 -6.963 1.00 0.03 H HETATM 2476 H48 PRO A 94 7.014 14.865 -6.573 1.00 0.03 H HETATM 2477 H49 PRO A 94 6.988 13.503 -5.402 1.00 0.03 H HETATM 2478 H46 PRO A 94 9.104 14.231 -7.449 1.00 0.08 H HETATM 2479 H43 PRO A 94 8.371 10.195 -9.037 1.00 0.08 H HETATM 2480 H42 PRO A 94 11.181 9.508 -9.621 1.00 0.19 H HETATM 2481 CB PRO A 94 10.268 8.527 -12.755 1.00 0.09 C HETATM 2482 OG1 PRO A 94 10.417 7.427 -11.848 1.00 -0.39 O HETATM 2483 H38 PRO A 94 11.341 7.277 -11.683 1.00 0.21 H HETATM 2484 CG2 PRO A 94 10.905 8.184 -14.095 1.00 -0.03 C HETATM 2485 H39 PRO A 94 10.436 7.276 -14.502 1.00 0.03 H HETATM 2486 H40 PRO A 94 11.982 8.009 -13.955 1.00 0.03 H HETATM 2487 H41 PRO A 94 10.757 9.019 -14.796 1.00 0.03 H HETATM 2488 H37 PRO A 94 9.195 8.709 -12.917 1.00 0.06 H HETATM 2489 H36 PRO A 94 10.934 10.585 -12.908 1.00 0.08 H HETATM 2490 H35 PRO A 94 12.575 8.639 -11.508 1.00 0.19 H HETATM 2491 CB PRO A 94 15.471 10.174 -12.194 1.00 -0.01 C HETATM 2492 CG PRO A 94 15.538 8.741 -12.583 1.00 -0.03 C HETATM 2493 CD PRO A 94 15.511 7.994 -11.283 1.00 0.04 C HETATM 2494 H33 PRO A 94 15.082 6.990 -11.412 1.00 0.05 H HETATM 2495 H34 PRO A 94 16.520 7.909 -10.854 1.00 0.05 H HETATM 2496 H31 PRO A 94 16.468 8.531 -13.132 1.00 0.03 H HETATM 2497 H32 PRO A 94 14.674 8.467 -13.206 1.00 0.03 H HETATM 2498 H29 PRO A 94 16.469 10.549 -11.922 1.00 0.03 H HETATM 2499 H30 PRO A 94 15.063 10.780 -13.016 1.00 0.03 H HETATM 2500 H28 PRO A 94 14.870 10.938 -10.235 1.00 0.08 H HETATM 2501 H25 PRO A 94 15.080 6.577 -9.453 1.00 0.08 H HETATM 2502 H24 PRO A 94 13.957 7.412 -6.838 1.00 0.19 H HETATM 2503 CB PRO A 94 17.017 7.207 -5.340 1.00 0.02 C HETATM 2504 CG PRO A 94 16.831 8.574 -5.984 1.00 -0.05 C HETATM 2505 CD1 PRO A 94 16.185 9.609 -5.300 1.00 -0.07 C HETATM 2506 CE1 PRO A 94 15.997 10.855 -5.888 1.00 -0.04 C HETATM 2507 CZ PRO A 94 16.445 11.079 -7.186 1.00 0.08 C HETATM 2508 CE2 PRO A 94 17.078 10.069 -7.894 1.00 -0.04 C HETATM 2509 CD2 PRO A 94 17.264 8.817 -7.287 1.00 -0.07 C HETATM 2510 H20 PRO A 94 17.753 8.024 -7.841 1.00 0.05 H HETATM 2511 H22 PRO A 94 17.426 10.244 -8.906 1.00 0.05 H HETATM 2512 OH PRO A 94 16.258 12.308 -7.774 1.00 -0.34 O HETATM 2513 H23 PRO A 94 15.730 12.206 -8.557 1.00 0.25 H HETATM 2514 H21 PRO A 94 15.504 11.648 -5.338 1.00 0.05 H HETATM 2515 H19 PRO A 94 15.824 9.437 -4.293 1.00 0.05 H HETATM 2516 H17 PRO A 94 17.897 6.724 -5.790 1.00 0.05 H HETATM 2517 H18 PRO A 94 17.186 7.347 -4.262 1.00 0.05 H HETATM 2518 H16 PRO A 94 14.930 6.766 -5.059 1.00 0.08 H HETATM 2519 H15 PRO A 94 16.870 4.815 -4.423 1.00 0.19 H HETATM 2520 CB PRO A 94 16.202 1.831 -5.189 1.00 0.08 C HETATM 2521 OG PRO A 94 15.290 1.209 -6.079 1.00 -0.39 O HETATM 2522 H14 PRO A 94 15.769 0.660 -6.689 1.00 0.21 H HETATM 2523 H12 PRO A 94 16.754 1.052 -4.643 1.00 0.06 H HETATM 2524 H13 PRO A 94 16.908 2.441 -5.772 1.00 0.06 H HETATM 2525 H11 PRO A 94 16.198 2.984 -3.378 1.00 0.08 H HETATM 2526 H10 PRO A 94 13.954 1.266 -4.060 1.00 0.19 H HETATM 2527 CB PRO A 94 11.660 2.244 -1.233 1.00 0.01 C HETATM 2528 CG PRO A 94 11.142 1.406 -0.127 1.00 -0.01 C HETATM 2529 CD PRO A 94 12.332 0.668 0.442 1.00 -0.03 C HETATM 2530 H8 PRO A 94 12.729 1.185 1.328 1.00 0.08 H HETATM 2531 H9 PRO A 94 12.063 -0.364 0.710 1.00 0.08 H HETATM 2532 H6 PRO A 94 10.398 0.691 -0.508 1.00 0.03 H HETATM 2533 H7 PRO A 94 10.681 2.038 0.646 1.00 0.03 H HETATM 2534 H4 PRO A 94 10.880 2.416 -1.990 1.00 0.03 H HETATM 2535 H5 PRO A 94 12.021 3.211 -0.853 1.00 0.03 H HETATM 2536 H3 PRO A 94 12.462 0.748 -2.609 1.00 0.11 H HETATM 2537 H1 PRO A 94 14.160 1.125 -0.342 1.00 0.20 H HETATM 2538 H2 PRO A 94 13.506 -0.259 -0.946 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 2420 2421 2529 2537 2538 CONECT 2421 2420 2422 2527 2536 CONECT 2422 2421 2423 2424 CONECT 2423 2422 CONECT 2424 2422 2425 2526 CONECT 2425 2424 2426 2520 2525 CONECT 2426 2425 2427 2428 CONECT 2427 2426 CONECT 2428 2426 2429 2519 CONECT 2429 2428 2430 2503 2518 CONECT 2430 2429 2431 2432 CONECT 2431 2430 CONECT 2432 2430 2433 2502 CONECT 2433 2432 2434 2442 2501 CONECT 2434 2433 2435 2440 2441 CONECT 2435 2434 2436 CONECT 2436 2435 2437 2438 2439 CONECT 2437 2436 CONECT 2438 2436 CONECT 2439 2436 CONECT 2440 2434 CONECT 2441 2434 CONECT 2442 2433 2443 2444 CONECT 2443 2442 CONECT 2444 2442 2445 2493 CONECT 2445 2444 2446 2491 2500 CONECT 2446 2445 2447 2448 CONECT 2447 2446 CONECT 2448 2446 2449 2490 CONECT 2449 2448 2450 2481 2489 CONECT 2450 2449 2451 2452 CONECT 2451 2450 CONECT 2452 2450 2453 2480 CONECT 2453 2452 2454 2462 2479 CONECT 2454 2453 2455 2460 2461 CONECT 2455 2454 2456 CONECT 2456 2455 2457 2458 2459 CONECT 2457 2456 CONECT 2458 2456 CONECT 2459 2456 CONECT 2460 2454 CONECT 2461 2454 CONECT 2462 2453 2463 2464 CONECT 2463 2462 CONECT 2464 2462 2465 2471 CONECT 2465 2464 2466 2469 2478 CONECT 2466 2465 2467 2468 CONECT 2467 2466 CONECT 2468 2466 CONECT 2469 2465 2470 2476 2477 CONECT 2470 2469 2471 2474 2475 CONECT 2471 2464 2470 2472 2473 CONECT 2472 2471 CONECT 2473 2471 CONECT 2474 2470 CONECT 2475 2470 CONECT 2476 2469 CONECT 2477 2469 CONECT 2478 2465 CONECT 2479 2453 CONECT 2480 2452 CONECT 2481 2449 2482 2484 2488 CONECT 2482 2481 2483 CONECT 2483 2482 CONECT 2484 2481 2485 2486 2487 CONECT 2485 2484 CONECT 2486 2484 CONECT 2487 2484 CONECT 2488 2481 CONECT 2489 2449 CONECT 2490 2448 CONECT 2491 2445 2492 2498 2499 CONECT 2492 2491 2493 2496 2497 CONECT 2493 2444 2492 2494 2495 CONECT 2494 2493 CONECT 2495 2493 CONECT 2496 2492 CONECT 2497 2492 CONECT 2498 2491 CONECT 2499 2491 CONECT 2500 2445 CONECT 2501 2433 CONECT 2502 2432 CONECT 2503 2429 2504 2516 2517 CONECT 2504 2503 2505 2509 CONECT 2505 2504 2506 2515 CONECT 2506 2505 2507 2514 CONECT 2507 2506 2508 2512 CONECT 2508 2507 2509 2511 CONECT 2509 2504 2508 2510 CONECT 2510 2509 CONECT 2511 2508 CONECT 2512 2507 2513 CONECT 2513 2512 CONECT 2514 2506 CONECT 2515 2505 CONECT 2516 2503 CONECT 2517 2503 CONECT 2518 2429 CONECT 2519 2428 CONECT 2520 2425 2521 2523 2524 CONECT 2521 2520 2522 CONECT 2522 2521 CONECT 2523 2520 CONECT 2524 2520 CONECT 2525 2425 CONECT 2526 2424 CONECT 2527 2421 2528 2534 2535 CONECT 2528 2527 2529 2532 2533 CONECT 2529 2420 2528 2530 2531 CONECT 2530 2529 CONECT 2531 2529 CONECT 2532 2528 CONECT 2533 2528 CONECT 2534 2527 CONECT 2535 2527 CONECT 2536 2421 CONECT 2537 2420 CONECT 2538 2420 MASTER 0 0 0 0 0 0 0 0 2537 1 123 11 END
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Entry Information
PDB ID
3d9p
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
CTD INTERACTING DOMAIN of RNA processing factor SCAF8(R112T)
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=29uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Biol.Chem. Vol. 283: pp. 22659-22669
Ligand Properties
Formula
C
3
7
H
5
9
N
8
O
1
9
P
2
Molecular Weight
981.854
Exact Mass
981.337
No. of atoms
125
No. of bonds
128
Polar Surface Area
447.51
LOGP Value
-8.65 (
Computed with XLOGP3
)
-3.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 31
No. of Nitrogen and Oxygen Atoms: 27
No. of Rings: 4
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C=O)COP(O)(O)O)[C@H](O)C)COP(O)(O)O)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCC[NH2+]1
InChI String
InChI=1S/C37H60N8O19P2/c1-20(48)30(35(54)42-27(18-63-65(57,58)59)36(55)44-13-3-5-22(44)16-46)43-34(53)29-7-4-14-45(29)37(56)28(19-64-66(60,61)62)41-32(51)25(15-21-8-10-23(49)11-9-21)39-33(52)26(17-47)40-31(50)24-6-2-12-38-24/h8-11,16,20,22,24-30,38,47-49,57-62,65-66H,2-7,12-15,17-19H2,1H3,(H,39,52)(H,40,50)(H,41,51)(H,42,54)(H,43,53)/p+1/t20-,22+,24+,25+,26+,27+,28+,29+,30+/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):
Q9UPN6
P24928
Entrez Gene ID
NCBI Entrez Gene ID:
22828
5430
ASD
Information of known allosteric effects of PDB entries
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