Browse entries in the PDBbind-CN Database
HEADER 5F6V_COMPLEX COMPND 5F6V_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 156 SER GLY ILE ALA LEU SER ARG LEU ALA GLN GLU ARG LYS SEQRES 2 A 156 ALA TRP ARG LYS ASP HIS PRO PHE GLY PHE VAL ALA VAL SEQRES 3 A 156 PRO THR LYS ASN PRO ASP GLY THR MET ASN LEU MET ASN SEQRES 4 A 156 TRP GLU CYS ALA ILE PRO GLY ALA ALA GLY THR PRO TRP SEQRES 5 A 156 ALA GLY GLY LEU PHE LYS LEU ARG MET LEU PHE LYS ASP SEQRES 6 A 156 ASP TYR PRO SER SER PRO PRO LYS CYS LYS PHE GLU PRO SEQRES 7 A 156 PRO LEU PHE HIS PRO ASN VAL TYR PRO SER GLY THR VAL SEQRES 8 A 156 CYS LEU SER ILE LEU GLU GLU ASP LYS ASP TRP ARG PRO SEQRES 9 A 156 ALA ILE THR ILE LYS GLN ILE LEU LEU GLY ILE GLN GLU SEQRES 10 A 156 LEU LEU ASN GLU PRO ASN ILE GLN ASP PRO ALA GLN ALA SEQRES 11 A 156 GLU ALA TYR THR ILE TYR CYS GLN ASN ARG VAL GLU TYR SEQRES 12 A 156 GLU LYS ARG VAL ARG ALA GLN ALA LYS LYS PHE ALA PRO HET UNN A 385 24 ATOM 1 N SER A 2 25.140 3.201 91.287 1.00 36.64 N ATOM 2 CA SER A 2 25.975 2.040 91.583 1.00 35.33 C ATOM 3 C SER A 2 25.148 0.757 91.608 1.00 30.89 C ATOM 4 O SER A 2 24.447 0.483 92.592 1.00 27.91 O ATOM 5 CB SER A 2 26.696 2.226 92.918 1.00 35.99 C ATOM 6 OG SER A 2 27.413 1.055 93.286 1.00 38.12 O ATOM 7 HG SER A 2 27.868 1.206 94.152 1.00 0.00 H ATOM 8 HN3 SER A 2 24.405 3.293 92.017 1.00 0.00 H ATOM 9 HN2 SER A 2 24.692 3.076 90.357 1.00 0.00 H ATOM 10 HN1 SER A 2 25.730 4.057 91.277 1.00 0.00 H ATOM 11 N GLY A 3 25.234 -0.014 90.523 1.00 29.68 N ATOM 12 CA GLY A 3 24.532 -1.283 90.401 1.00 26.75 C ATOM 13 C GLY A 3 24.776 -2.239 91.554 1.00 25.06 C ATOM 14 O GLY A 3 23.834 -2.821 92.101 1.00 25.52 O ATOM 15 H GLY A 3 25.828 0.305 89.731 1.00 0.00 H ATOM 16 N ILE A 4 26.043 -2.397 91.932 1.00 21.81 N ATOM 17 CA ILE A 4 26.409 -3.263 93.055 1.00 19.54 C ATOM 18 C ILE A 4 25.753 -2.824 94.361 1.00 17.85 C ATOM 19 O ILE A 4 25.192 -3.646 95.090 1.00 20.45 O ATOM 20 CB ILE A 4 27.941 -3.351 93.217 1.00 19.06 C ATOM 21 CG1 ILE A 4 28.547 -4.084 92.012 1.00 21.67 C ATOM 22 CG2 ILE A 4 28.323 -4.047 94.530 1.00 20.34 C ATOM 23 CD1 ILE A 4 30.064 -4.018 91.943 1.00 22.45 C ATOM 24 H ILE A 4 26.792 -1.892 91.416 1.00 0.00 H ATOM 25 N ALA A 5 25.799 -1.527 94.654 1.00 18.00 N ATOM 26 CA ALA A 5 25.195 -1.042 95.891 1.00 16.45 C ATOM 27 C ALA A 5 23.684 -1.212 95.869 1.00 18.98 C ATOM 28 O ALA A 5 23.090 -1.681 96.851 1.00 18.10 O ATOM 29 CB ALA A 5 25.569 0.413 96.155 1.00 17.59 C ATOM 30 H ALA A 5 26.264 -0.861 94.004 1.00 0.00 H ATOM 31 N LEU A 6 23.067 -0.826 94.755 1.00 20.12 N ATOM 32 CA LEU A 6 21.614 -0.856 94.650 1.00 21.09 C ATOM 33 C LEU A 6 21.071 -2.282 94.720 1.00 20.20 C ATOM 34 O LEU A 6 19.999 -2.519 95.278 1.00 21.27 O ATOM 35 CB LEU A 6 21.141 -0.144 93.381 1.00 21.57 C ATOM 36 CG LEU A 6 21.345 1.374 93.373 1.00 23.75 C ATOM 37 CD1 LEU A 6 20.926 1.974 92.047 1.00 24.14 C ATOM 38 CD2 LEU A 6 20.573 2.023 94.514 1.00 24.20 C ATOM 39 H LEU A 6 23.631 -0.497 93.946 1.00 0.00 H ATOM 40 N SER A 7 21.805 -3.239 94.167 1.00 21.25 N ATOM 41 CA SER A 7 21.393 -4.638 94.217 1.00 21.87 C ATOM 42 C SER A 7 21.422 -5.156 95.652 1.00 20.82 C ATOM 43 O SER A 7 20.510 -5.857 96.098 1.00 22.32 O ATOM 44 CB SER A 7 22.295 -5.497 93.327 1.00 23.72 C ATOM 45 OG SER A 7 22.097 -5.199 91.957 1.00 25.11 O ATOM 46 HG SER A 7 22.308 -4.245 91.794 1.00 0.00 H ATOM 47 H SER A 7 22.693 -2.987 93.688 1.00 0.00 H ATOM 48 N ARG A 8 22.481 -4.812 96.378 1.00 18.46 N ATOM 49 CA ARG A 8 22.602 -5.251 97.761 1.00 17.42 C ATOM 50 C ARG A 8 21.551 -4.575 98.635 1.00 16.98 C ATOM 51 O ARG A 8 20.962 -5.220 99.504 1.00 18.44 O ATOM 52 CB ARG A 8 24.002 -4.980 98.309 1.00 16.53 C ATOM 53 CG ARG A 8 24.139 -5.172 99.820 1.00 17.35 C ATOM 54 CD ARG A 8 23.960 -6.625 100.294 1.00 19.45 C ATOM 55 NE ARG A 8 24.162 -6.664 101.740 1.00 20.56 N ATOM 56 CZ ARG A 8 25.345 -6.806 102.327 1.00 19.93 C ATOM 57 NH1 ARG A 8 26.443 -6.972 101.597 1.00 18.20 N ATOM 58 NH2 ARG A 8 25.433 -6.784 103.653 1.00 21.41 N ATOM 59 HE ARG A 8 23.325 -6.575 102.350 1.00 0.00 H ATOM 60 HH12 ARG A 8 27.366 -7.083 102.064 1.00 0.00 H ATOM 61 HH11 ARG A 8 26.379 -6.991 100.559 1.00 0.00 H ATOM 62 HH22 ARG A 8 26.358 -6.895 104.115 1.00 0.00 H ATOM 63 HH21 ARG A 8 24.577 -6.656 104.229 1.00 0.00 H ATOM 64 H ARG A 8 23.228 -4.225 95.955 1.00 0.00 H ATOM 65 N LEU A 9 21.308 -3.285 98.404 1.00 17.36 N ATOM 66 CA LEU A 9 20.322 -2.556 99.200 1.00 16.64 C ATOM 67 C LEU A 9 18.903 -3.066 98.979 1.00 17.98 C ATOM 68 O LEU A 9 18.097 -3.074 99.909 1.00 19.38 O ATOM 69 CB LEU A 9 20.411 -1.047 98.949 1.00 17.08 C ATOM 70 CG LEU A 9 21.658 -0.424 99.584 1.00 17.20 C ATOM 71 CD1 LEU A 9 22.031 0.909 98.937 1.00 17.39 C ATOM 72 CD2 LEU A 9 21.503 -0.270 101.100 1.00 18.32 C ATOM 73 H LEU A 9 21.826 -2.791 97.649 1.00 0.00 H ATOM 74 N ALA A 10 18.600 -3.507 97.761 1.00 18.15 N ATOM 75 CA ALA A 10 17.306 -4.126 97.499 1.00 20.21 C ATOM 76 C ALA A 10 17.182 -5.436 98.287 1.00 21.31 C ATOM 77 O ALA A 10 16.117 -5.740 98.845 1.00 21.79 O ATOM 78 CB ALA A 10 17.112 -4.363 96.013 1.00 20.94 C ATOM 79 H ALA A 10 19.291 -3.410 96.990 1.00 0.00 H ATOM 80 N GLN A 11 18.266 -6.210 98.334 1.00 21.07 N ATOM 81 CA GLN A 11 18.294 -7.423 99.152 1.00 22.29 C ATOM 82 C GLN A 11 18.110 -7.115 100.639 1.00 19.83 C ATOM 83 O GLN A 11 17.385 -7.827 101.343 1.00 21.05 O ATOM 84 CB GLN A 11 19.600 -8.191 98.947 1.00 25.54 C ATOM 85 CG GLN A 11 19.763 -8.773 97.554 1.00 33.05 C ATOM 86 CD GLN A 11 21.080 -9.506 97.379 1.00 39.96 C ATOM 87 OE1 GLN A 11 22.139 -9.008 97.773 1.00 42.81 O ATOM 88 NE2 GLN A 11 21.022 -10.696 96.786 1.00 41.44 N ATOM 89 HE22 GLN A 11 20.107 -11.076 96.470 1.00 0.00 H ATOM 90 HE21 GLN A 11 21.892 -11.246 96.638 1.00 0.00 H ATOM 91 H GLN A 11 19.106 -5.947 97.780 1.00 0.00 H ATOM 92 N GLU A 12 18.773 -6.064 101.121 1.00 18.68 N ATOM 93 CA GLU A 12 18.633 -5.656 102.520 1.00 18.18 C ATOM 94 C GLU A 12 17.191 -5.268 102.832 1.00 19.49 C ATOM 95 O GLU A 12 16.654 -5.624 103.882 1.00 20.25 O ATOM 96 CB GLU A 12 19.557 -4.478 102.837 1.00 18.00 C ATOM 97 CG GLU A 12 21.047 -4.815 102.866 1.00 19.80 C ATOM 98 CD GLU A 12 21.454 -5.625 104.083 1.00 21.74 C ATOM 99 OE1 GLU A 12 20.821 -5.479 105.155 1.00 23.23 O ATOM 100 OE2 GLU A 12 22.425 -6.408 103.968 1.00 22.57 O ATOM 101 H GLU A 12 19.401 -5.524 100.492 1.00 0.00 H ATOM 102 N ARG A 13 16.565 -4.535 101.915 1.00 20.49 N ATOM 103 CA ARG A 13 15.192 -4.092 102.119 1.00 20.45 C ATOM 104 C ARG A 13 14.259 -5.302 102.176 1.00 20.35 C ATOM 105 O ARG A 13 13.384 -5.386 103.050 1.00 22.12 O ATOM 106 CB ARG A 13 14.771 -3.123 101.012 1.00 21.11 C ATOM 107 CG ARG A 13 13.373 -2.557 101.179 1.00 25.43 C ATOM 108 CD ARG A 13 13.030 -1.576 100.062 1.00 30.51 C ATOM 109 NE ARG A 13 11.606 -1.260 100.065 1.00 37.67 N ATOM 110 CZ ARG A 13 10.696 -1.893 99.330 1.00 43.00 C ATOM 111 NH1 ARG A 13 11.057 -2.875 98.511 1.00 45.08 N ATOM 112 NH2 ARG A 13 9.421 -1.539 99.411 1.00 45.69 N ATOM 113 HE ARG A 13 11.281 -0.489 100.683 1.00 0.00 H ATOM 114 HH12 ARG A 13 10.340 -3.365 97.939 1.00 0.00 H ATOM 115 HH11 ARG A 13 12.057 -3.153 98.442 1.00 0.00 H ATOM 116 HH22 ARG A 13 8.707 -2.032 98.838 1.00 0.00 H ATOM 117 HH21 ARG A 13 9.135 -0.768 100.048 1.00 0.00 H ATOM 118 H ARG A 13 17.063 -4.274 101.040 1.00 0.00 H ATOM 119 N LYS A 14 14.462 -6.248 101.264 1.00 20.16 N ATOM 120 CA LYS A 14 13.650 -7.460 101.238 1.00 22.25 C ATOM 121 C LYS A 14 13.786 -8.248 102.552 1.00 22.59 C ATOM 122 O LYS A 14 12.785 -8.674 103.147 1.00 24.00 O ATOM 123 CB LYS A 14 14.019 -8.324 100.030 1.00 25.69 C ATOM 124 CG LYS A 14 13.234 -9.626 99.947 1.00 31.83 C ATOM 125 CD LYS A 14 13.490 -10.365 98.636 1.00 36.39 C ATOM 126 CE LYS A 14 12.768 -9.703 97.461 1.00 41.40 C ATOM 127 NZ LYS A 14 12.701 -10.589 96.256 1.00 44.56 N ATOM 128 HZ1 LYS A 14 13.665 -10.826 95.947 1.00 0.00 H ATOM 129 HZ2 LYS A 14 12.189 -11.461 96.497 1.00 0.00 H ATOM 130 HZ3 LYS A 14 12.203 -10.093 95.490 1.00 0.00 H ATOM 131 H LYS A 14 15.213 -6.122 100.556 1.00 0.00 H ATOM 132 N ALA A 15 15.024 -8.413 103.013 1.00 21.57 N ATOM 133 CA ALA A 15 15.288 -9.153 104.238 1.00 21.93 C ATOM 134 C ALA A 15 14.711 -8.433 105.449 1.00 21.47 C ATOM 135 O ALA A 15 14.112 -9.062 106.330 1.00 22.19 O ATOM 136 CB ALA A 15 16.783 -9.377 104.410 1.00 21.34 C ATOM 137 H ALA A 15 15.821 -8.003 102.485 1.00 0.00 H ATOM 138 N TRP A 16 14.892 -7.115 105.494 1.00 19.40 N ATOM 139 CA TRP A 16 14.393 -6.331 106.613 1.00 20.12 C ATOM 140 C TRP A 16 12.870 -6.429 106.716 1.00 22.64 C ATOM 141 O TRP A 16 12.327 -6.622 107.805 1.00 23.15 O ATOM 142 CB TRP A 16 14.815 -4.869 106.483 1.00 18.81 C ATOM 143 CG TRP A 16 14.211 -4.006 107.551 1.00 17.64 C ATOM 144 CD1 TRP A 16 13.056 -3.276 107.473 1.00 19.57 C ATOM 145 CD2 TRP A 16 14.724 -3.803 108.871 1.00 15.55 C ATOM 146 NE1 TRP A 16 12.827 -2.624 108.665 1.00 17.70 N ATOM 147 CE2 TRP A 16 13.841 -2.925 109.534 1.00 15.57 C ATOM 148 CE3 TRP A 16 15.856 -4.261 109.548 1.00 16.14 C ATOM 149 CZ2 TRP A 16 14.051 -2.516 110.849 1.00 16.69 C ATOM 150 CZ3 TRP A 16 16.065 -3.849 110.840 1.00 17.29 C ATOM 151 CH2 TRP A 16 15.166 -2.988 111.482 1.00 17.55 C ATOM 152 HE1 TRP A 16 12.017 -2.005 108.871 1.00 0.00 H ATOM 153 H TRP A 16 15.397 -6.640 104.719 1.00 0.00 H ATOM 154 N ARG A 17 12.183 -6.305 105.582 1.00 22.28 N ATOM 155 CA ARG A 17 10.724 -6.346 105.578 1.00 25.93 C ATOM 156 C ARG A 17 10.182 -7.720 105.985 1.00 28.69 C ATOM 157 O ARG A 17 9.098 -7.820 106.561 1.00 33.78 O ATOM 158 CB ARG A 17 10.173 -5.921 104.212 1.00 27.19 C ATOM 159 CG ARG A 17 10.398 -4.442 103.896 1.00 29.20 C ATOM 160 CD ARG A 17 9.991 -4.101 102.465 1.00 33.81 C ATOM 161 NE ARG A 17 8.586 -4.399 102.212 1.00 39.56 N ATOM 162 CZ ARG A 17 7.606 -3.505 102.304 1.00 43.55 C ATOM 163 NH1 ARG A 17 7.877 -2.251 102.640 1.00 44.16 N ATOM 164 NH2 ARG A 17 6.351 -3.862 102.056 1.00 45.54 N ATOM 165 HE ARG A 17 8.335 -5.372 101.943 1.00 0.00 H ATOM 166 HH12 ARG A 17 7.108 -1.554 102.711 1.00 0.00 H ATOM 167 HH11 ARG A 17 8.858 -1.965 102.832 1.00 0.00 H ATOM 168 HH22 ARG A 17 5.587 -3.160 102.129 1.00 0.00 H ATOM 169 HH21 ARG A 17 6.133 -4.843 101.789 1.00 0.00 H ATOM 170 H ARG A 17 12.694 -6.177 104.685 1.00 0.00 H ATOM 171 N LYS A 18 10.947 -8.771 105.704 1.00 28.79 N ATOM 172 CA LYS A 18 10.538 -10.133 106.038 1.00 30.67 C ATOM 173 C LYS A 18 10.722 -10.439 107.526 1.00 30.32 C ATOM 174 O LYS A 18 9.930 -11.178 108.126 1.00 31.01 O ATOM 175 CB LYS A 18 11.335 -11.139 105.200 1.00 31.75 C ATOM 176 CG LYS A 18 10.954 -12.593 105.441 1.00 35.63 C ATOM 177 CD LYS A 18 11.675 -13.531 104.487 1.00 38.27 C ATOM 178 CE LYS A 18 11.132 -14.958 104.598 1.00 41.50 C ATOM 179 NZ LYS A 18 11.866 -15.927 103.729 1.00 44.51 N ATOM 180 HZ1 LYS A 18 11.783 -15.632 102.735 1.00 0.00 H ATOM 181 HZ2 LYS A 18 12.869 -15.946 104.003 1.00 0.00 H ATOM 182 HZ3 LYS A 18 11.455 -16.875 103.845 1.00 0.00 H ATOM 183 H LYS A 18 11.862 -8.619 105.233 1.00 0.00 H ATOM 184 N ASP A 19 11.766 -9.864 108.117 1.00 29.83 N ATOM 185 CA ASP A 19 12.137 -10.184 109.489 1.00 31.23 C ATOM 186 C ASP A 19 12.966 -9.051 110.076 1.00 27.54 C ATOM 187 O ASP A 19 14.096 -8.816 109.635 1.00 28.42 O ATOM 188 CB ASP A 19 12.953 -11.479 109.512 1.00 36.28 C ATOM 189 CG ASP A 19 13.330 -11.912 110.916 1.00 42.31 C ATOM 190 OD1 ASP A 19 12.483 -11.791 111.825 1.00 45.16 O ATOM 191 OD2 ASP A 19 14.475 -12.381 111.108 1.00 45.43 O ATOM 192 H ASP A 19 12.331 -9.170 107.587 1.00 0.00 H ATOM 193 N HIS A 20 12.409 -8.344 111.059 1.00 24.10 N ATOM 194 CA HIS A 20 13.133 -7.267 111.727 1.00 23.87 C ATOM 195 C HIS A 20 12.733 -7.199 113.197 1.00 22.38 C ATOM 196 O HIS A 20 11.646 -7.649 113.574 1.00 22.95 O ATOM 197 CB HIS A 20 12.895 -5.918 111.027 1.00 25.01 C ATOM 198 CG HIS A 20 11.470 -5.457 111.049 1.00 26.46 C ATOM 199 ND1 HIS A 20 10.610 -5.653 109.990 1.00 30.05 N ATOM 200 CD2 HIS A 20 10.759 -4.798 111.996 1.00 28.45 C ATOM 201 CE1 HIS A 20 9.427 -5.142 110.287 1.00 32.39 C ATOM 202 NE2 HIS A 20 9.492 -4.615 111.496 1.00 31.77 N ATOM 203 H HIS A 20 11.437 -8.565 111.357 1.00 0.00 H ATOM 204 N PRO A 21 13.624 -6.661 114.044 1.00 21.32 N ATOM 205 CA PRO A 21 13.313 -6.572 115.474 1.00 21.23 C ATOM 206 C PRO A 21 12.150 -5.619 115.756 1.00 19.53 C ATOM 207 O PRO A 21 12.033 -4.561 115.118 1.00 19.16 O ATOM 208 CB PRO A 21 14.621 -6.050 116.087 1.00 21.85 C ATOM 209 CG PRO A 21 15.334 -5.369 114.949 1.00 23.08 C ATOM 210 CD PRO A 21 14.988 -6.194 113.742 1.00 22.35 C ATOM 211 N PHE A 22 11.301 -6.003 116.706 1.00 19.67 N ATOM 212 CA PHE A 22 10.102 -5.236 117.022 1.00 18.84 C ATOM 213 C PHE A 22 10.449 -3.827 117.478 1.00 19.83 C ATOM 214 O PHE A 22 11.361 -3.626 118.290 1.00 20.43 O ATOM 215 CB PHE A 22 9.270 -5.947 118.093 1.00 22.47 C ATOM 216 CG PHE A 22 7.993 -5.238 118.421 1.00 23.55 C ATOM 217 CD1 PHE A 22 6.889 -5.343 117.582 1.00 23.80 C ATOM 218 CD2 PHE A 22 7.892 -4.463 119.569 1.00 25.28 C ATOM 219 CE1 PHE A 22 5.706 -4.688 117.887 1.00 27.25 C ATOM 220 CE2 PHE A 22 6.719 -3.799 119.872 1.00 26.81 C ATOM 221 CZ PHE A 22 5.622 -3.916 119.030 1.00 27.21 C ATOM 222 H PHE A 22 11.498 -6.875 117.238 1.00 0.00 H ATOM 223 N GLY A 23 9.726 -2.853 116.939 1.00 18.78 N ATOM 224 CA GLY A 23 9.887 -1.472 117.353 1.00 17.89 C ATOM 225 C GLY A 23 10.878 -0.682 116.525 1.00 18.50 C ATOM 226 O GLY A 23 10.919 0.547 116.621 1.00 19.70 O ATOM 227 H GLY A 23 9.028 -3.085 116.203 1.00 0.00 H ATOM 228 N PHE A 24 11.684 -1.380 115.728 1.00 17.12 N ATOM 229 CA PHE A 24 12.639 -0.722 114.840 1.00 16.75 C ATOM 230 C PHE A 24 11.958 -0.348 113.531 1.00 17.23 C ATOM 231 O PHE A 24 11.023 -1.023 113.081 1.00 19.32 O ATOM 232 CB PHE A 24 13.805 -1.656 114.509 1.00 15.51 C ATOM 233 CG PHE A 24 14.787 -1.867 115.640 1.00 15.13 C ATOM 234 CD1 PHE A 24 14.451 -2.631 116.750 1.00 15.11 C ATOM 235 CD2 PHE A 24 16.069 -1.340 115.564 1.00 15.62 C ATOM 236 CE1 PHE A 24 15.375 -2.848 117.773 1.00 15.86 C ATOM 237 CE2 PHE A 24 16.996 -1.551 116.578 1.00 16.48 C ATOM 238 CZ PHE A 24 16.648 -2.313 117.684 1.00 15.59 C ATOM 239 H PHE A 24 11.632 -2.419 115.738 1.00 0.00 H ATOM 240 N VAL A 25 12.444 0.722 112.913 1.00 17.61 N ATOM 241 CA VAL A 25 11.983 1.148 111.596 1.00 17.78 C ATOM 242 C VAL A 25 13.206 1.351 110.709 1.00 16.49 C ATOM 243 O VAL A 25 14.242 1.834 111.175 1.00 16.73 O ATOM 244 CB VAL A 25 11.182 2.468 111.675 1.00 20.37 C ATOM 245 CG1 VAL A 25 10.744 2.921 110.294 1.00 21.19 C ATOM 246 CG2 VAL A 25 9.969 2.298 112.589 1.00 20.20 C ATOM 247 H VAL A 25 13.183 1.279 113.387 1.00 0.00 H ATOM 248 N ALA A 26 13.107 0.962 109.441 1.00 17.06 N ATOM 249 CA ALA A 26 14.172 1.242 108.479 1.00 16.26 C ATOM 250 C ALA A 26 13.553 1.313 107.090 1.00 16.69 C ATOM 251 O ALA A 26 13.167 0.289 106.527 1.00 18.74 O ATOM 252 CB ALA A 26 15.252 0.169 108.532 1.00 16.47 C ATOM 253 H ALA A 26 12.258 0.450 109.128 1.00 0.00 H ATOM 254 N VAL A 27 13.424 2.524 106.551 1.00 16.56 N ATOM 255 CA VAL A 27 12.742 2.734 105.274 1.00 18.08 C ATOM 256 C VAL A 27 13.561 3.650 104.359 1.00 18.75 C ATOM 257 O VAL A 27 14.050 4.694 104.798 1.00 21.08 O ATOM 258 CB VAL A 27 11.343 3.373 105.498 1.00 20.18 C ATOM 259 CG1 VAL A 27 10.624 3.585 104.178 1.00 20.38 C ATOM 260 CG2 VAL A 27 10.492 2.512 106.424 1.00 21.66 C ATOM 261 H VAL A 27 13.820 3.345 107.053 1.00 0.00 H ATOM 262 N PRO A 28 13.719 3.270 103.085 1.00 17.00 N ATOM 263 CA PRO A 28 14.398 4.161 102.136 1.00 17.62 C ATOM 264 C PRO A 28 13.616 5.463 101.969 1.00 19.34 C ATOM 265 O PRO A 28 12.401 5.481 102.162 1.00 21.87 O ATOM 266 CB PRO A 28 14.357 3.375 100.822 1.00 21.92 C ATOM 267 CG PRO A 28 14.181 1.955 101.225 1.00 23.87 C ATOM 268 CD PRO A 28 13.389 1.961 102.493 1.00 19.73 C ATOM 269 N THR A 29 14.305 6.541 101.618 1.00 18.49 N ATOM 270 CA THR A 29 13.645 7.817 101.381 1.00 18.43 C ATOM 271 C THR A 29 13.272 7.935 99.902 1.00 18.39 C ATOM 272 O THR A 29 13.320 6.946 99.169 1.00 19.48 O ATOM 273 CB THR A 29 14.552 8.980 101.793 1.00 20.63 C ATOM 274 OG1 THR A 29 15.796 8.883 101.083 1.00 21.11 O ATOM 275 CG2 THR A 29 14.823 8.933 103.300 1.00 20.90 C ATOM 276 HG1 THR A 29 16.235 8.024 101.305 1.00 0.00 H ATOM 277 H THR A 29 15.337 6.473 101.510 1.00 0.00 H ATOM 278 N LYS A 30 12.892 9.130 99.465 1.00 18.94 N ATOM 279 CA LYS A 30 12.513 9.336 98.070 1.00 19.57 C ATOM 280 C LYS A 30 13.357 10.413 97.405 1.00 19.49 C ATOM 281 O LYS A 30 13.834 11.350 98.062 1.00 22.01 O ATOM 282 CB LYS A 30 11.024 9.683 97.961 1.00 21.08 C ATOM 283 CG LYS A 30 10.112 8.536 98.386 1.00 23.31 C ATOM 284 CD LYS A 30 8.644 8.900 98.263 1.00 24.97 C ATOM 285 CE LYS A 30 7.764 7.711 98.636 1.00 27.72 C ATOM 286 NZ LYS A 30 6.315 8.005 98.451 1.00 30.41 N ATOM 287 HZ1 LYS A 30 6.046 8.809 99.053 1.00 0.00 H ATOM 288 HZ2 LYS A 30 6.135 8.241 97.454 1.00 0.00 H ATOM 289 HZ3 LYS A 30 5.756 7.169 98.717 1.00 0.00 H ATOM 290 H LYS A 30 12.864 9.932 100.127 1.00 0.00 H ATOM 291 N ASN A 31 13.543 10.264 96.100 1.00 20.07 N ATOM 292 CA ASN A 31 14.186 11.280 95.283 1.00 21.85 C ATOM 293 C ASN A 31 13.200 12.410 94.998 1.00 24.54 C ATOM 294 O ASN A 31 12.001 12.248 95.234 1.00 25.15 O ATOM 295 CB ASN A 31 14.660 10.643 93.980 1.00 24.22 C ATOM 296 CG ASN A 31 15.755 9.625 94.202 1.00 26.94 C ATOM 297 OD1 ASN A 31 16.746 9.908 94.873 1.00 29.05 O ATOM 298 ND2 ASN A 31 15.576 8.427 93.654 1.00 27.73 N ATOM 299 HD22 ASN A 31 14.721 8.234 93.094 1.00 0.00 H ATOM 300 HD21 ASN A 31 16.291 7.683 93.785 1.00 0.00 H ATOM 301 H ASN A 31 13.217 9.388 95.645 1.00 0.00 H ATOM 302 N PRO A 32 13.696 13.566 94.514 1.00 28.42 N ATOM 303 CA PRO A 32 12.808 14.685 94.165 1.00 28.90 C ATOM 304 C PRO A 32 11.680 14.319 93.191 1.00 29.61 C ATOM 305 O PRO A 32 10.624 14.960 93.233 1.00 29.79 O ATOM 306 CB PRO A 32 13.761 15.685 93.504 1.00 29.58 C ATOM 307 CG PRO A 32 15.059 15.454 94.186 1.00 28.37 C ATOM 308 CD PRO A 32 15.115 13.971 94.494 1.00 29.40 C ATOM 309 N ASP A 33 11.899 13.319 92.338 1.00 30.99 N ATOM 310 CA ASP A 33 10.879 12.896 91.378 1.00 32.51 C ATOM 311 C ASP A 33 9.927 11.849 91.956 1.00 31.17 C ATOM 312 O ASP A 33 9.036 11.354 91.259 1.00 33.29 O ATOM 313 CB ASP A 33 11.518 12.389 90.078 1.00 34.98 C ATOM 314 CG ASP A 33 12.418 11.185 90.294 1.00 37.43 C ATOM 315 OD1 ASP A 33 12.493 10.675 91.434 1.00 37.10 O ATOM 316 OD2 ASP A 33 13.049 10.739 89.313 1.00 39.86 O ATOM 317 H ASP A 33 12.816 12.828 92.355 1.00 0.00 H ATOM 318 N GLY A 34 10.128 11.505 93.224 1.00 27.81 N ATOM 319 CA GLY A 34 9.228 10.601 93.920 1.00 27.15 C ATOM 320 C GLY A 34 9.653 9.142 93.928 1.00 26.96 C ATOM 321 O GLY A 34 9.042 8.319 94.616 1.00 26.93 O ATOM 322 H GLY A 34 10.950 11.892 93.731 1.00 0.00 H ATOM 323 N THR A 35 10.692 8.807 93.168 1.00 26.78 N ATOM 324 CA THR A 35 11.173 7.429 93.141 1.00 26.61 C ATOM 325 C THR A 35 11.942 7.082 94.412 1.00 24.62 C ATOM 326 O THR A 35 12.363 7.963 95.169 1.00 23.83 O ATOM 327 CB THR A 35 12.065 7.151 91.917 1.00 28.63 C ATOM 328 OG1 THR A 35 13.169 8.063 91.916 1.00 30.05 O ATOM 329 CG2 THR A 35 11.272 7.308 90.616 1.00 30.37 C ATOM 330 HG1 THR A 35 12.828 8.992 91.873 1.00 0.00 H ATOM 331 H THR A 35 11.164 9.531 92.590 1.00 0.00 H ATOM 332 N MET A 36 12.119 5.789 94.646 1.00 24.49 N ATOM 333 CA MET A 36 12.816 5.322 95.833 1.00 25.01 C ATOM 334 C MET A 36 14.313 5.646 95.799 1.00 24.18 C ATOM 335 O MET A 36 14.976 5.457 94.773 1.00 25.89 O ATOM 336 CB MET A 36 12.599 3.817 95.988 1.00 27.22 C ATOM 337 CG MET A 36 13.300 3.220 97.185 1.00 30.00 C ATOM 338 SD MET A 36 12.845 1.495 97.439 1.00 33.05 S ATOM 339 CE MET A 36 13.150 0.810 95.805 1.00 35.17 C ATOM 340 H MET A 36 11.751 5.094 93.966 1.00 0.00 H ATOM 341 N ASN A 37 14.832 6.143 96.922 1.00 21.76 N ATOM 342 CA ASN A 37 16.263 6.385 97.078 1.00 19.49 C ATOM 343 C ASN A 37 16.862 5.403 98.072 1.00 18.56 C ATOM 344 O ASN A 37 16.840 5.637 99.286 1.00 19.58 O ATOM 345 CB ASN A 37 16.534 7.827 97.522 1.00 20.23 C ATOM 346 CG ASN A 37 18.022 8.140 97.629 1.00 21.67 C ATOM 347 OD1 ASN A 37 18.874 7.330 97.258 1.00 23.95 O ATOM 348 ND2 ASN A 37 18.339 9.331 98.119 1.00 22.67 N ATOM 349 HD22 ASN A 37 17.589 9.985 98.421 1.00 0.00 H ATOM 350 HD21 ASN A 37 19.337 9.610 98.201 1.00 0.00 H ATOM 351 H ASN A 37 14.196 6.366 97.714 1.00 0.00 H ATOM 352 N LEU A 38 17.407 4.304 97.557 1.00 17.18 N ATOM 353 CA LEU A 38 17.971 3.267 98.414 1.00 16.76 C ATOM 354 C LEU A 38 19.259 3.703 99.111 1.00 17.44 C ATOM 355 O LEU A 38 19.759 2.988 99.978 1.00 16.87 O ATOM 356 CB LEU A 38 18.208 1.981 97.617 1.00 18.35 C ATOM 357 CG LEU A 38 16.967 1.143 97.301 1.00 19.14 C ATOM 358 CD1 LEU A 38 17.278 0.078 96.245 1.00 20.97 C ATOM 359 CD2 LEU A 38 16.432 0.501 98.569 1.00 22.17 C ATOM 360 H LEU A 38 17.431 4.182 96.524 1.00 0.00 H ATOM 361 N MET A 39 19.791 4.871 98.753 1.00 18.13 N ATOM 362 CA MET A 39 21.082 5.299 99.297 1.00 18.18 C ATOM 363 C MET A 39 20.943 6.093 100.594 1.00 16.93 C ATOM 364 O MET A 39 21.941 6.434 101.238 1.00 18.13 O ATOM 365 CB MET A 39 21.871 6.122 98.268 1.00 19.90 C ATOM 366 CG MET A 39 22.059 5.456 96.902 1.00 21.11 C ATOM 367 SD MET A 39 22.834 3.832 96.988 1.00 22.51 S ATOM 368 CE MET A 39 24.542 4.297 97.318 1.00 21.97 C ATOM 369 H MET A 39 19.285 5.484 98.082 1.00 0.00 H ATOM 370 N ASN A 40 19.702 6.364 100.987 1.00 16.52 N ATOM 371 CA ASN A 40 19.423 7.237 102.120 1.00 16.68 C ATOM 372 C ASN A 40 18.197 6.679 102.829 1.00 16.45 C ATOM 373 O ASN A 40 17.095 6.710 102.276 1.00 17.56 O ATOM 374 CB ASN A 40 19.154 8.658 101.596 1.00 16.99 C ATOM 375 CG ASN A 40 18.914 9.679 102.700 1.00 20.29 C ATOM 376 OD1 ASN A 40 18.412 9.363 103.786 1.00 20.39 O ATOM 377 ND2 ASN A 40 19.239 10.936 102.399 1.00 23.42 N ATOM 378 HD22 ASN A 40 19.659 11.157 101.474 1.00 0.00 H ATOM 379 HD21 ASN A 40 19.073 11.696 103.089 1.00 0.00 H ATOM 380 H ASN A 40 18.906 5.940 100.470 1.00 0.00 H ATOM 381 N TRP A 41 18.387 6.147 104.035 1.00 15.45 N ATOM 382 CA TRP A 41 17.295 5.509 104.768 1.00 15.87 C ATOM 383 C TRP A 41 16.975 6.262 106.044 1.00 15.81 C ATOM 384 O TRP A 41 17.887 6.731 106.744 1.00 17.25 O ATOM 385 CB TRP A 41 17.664 4.079 105.170 1.00 16.92 C ATOM 386 CG TRP A 41 17.771 3.073 104.061 1.00 16.08 C ATOM 387 CD1 TRP A 41 18.432 3.217 102.882 1.00 15.98 C ATOM 388 CD2 TRP A 41 17.249 1.730 104.068 1.00 14.91 C ATOM 389 NE1 TRP A 41 18.337 2.058 102.141 1.00 15.87 N ATOM 390 CE2 TRP A 41 17.617 1.133 102.846 1.00 15.51 C ATOM 391 CE3 TRP A 41 16.503 0.983 104.987 1.00 16.92 C ATOM 392 CZ2 TRP A 41 17.263 -0.183 102.518 1.00 17.06 C ATOM 393 CZ3 TRP A 41 16.150 -0.323 104.660 1.00 18.39 C ATOM 394 CH2 TRP A 41 16.529 -0.890 103.436 1.00 18.61 C ATOM 395 HE1 TRP A 41 18.747 1.911 101.197 1.00 0.00 H ATOM 396 H TRP A 41 19.333 6.186 104.465 1.00 0.00 H ATOM 397 N GLU A 42 15.684 6.353 106.363 1.00 15.85 N ATOM 398 CA GLU A 42 15.250 6.908 107.642 1.00 15.50 C ATOM 399 C GLU A 42 14.911 5.760 108.590 1.00 15.28 C ATOM 400 O GLU A 42 14.104 4.879 108.261 1.00 17.71 O ATOM 401 CB GLU A 42 14.063 7.854 107.434 1.00 19.10 C ATOM 402 CG GLU A 42 14.510 9.242 106.985 1.00 23.01 C ATOM 403 CD GLU A 42 13.423 10.075 106.320 1.00 27.16 C ATOM 404 OE1 GLU A 42 12.274 9.603 106.173 1.00 28.83 O ATOM 405 OE2 GLU A 42 13.739 11.219 105.931 1.00 30.09 O ATOM 406 H GLU A 42 14.969 6.021 105.685 1.00 0.00 H ATOM 407 N CYS A 43 15.555 5.753 109.754 1.00 14.64 N ATOM 408 CA CYS A 43 15.433 4.629 110.676 1.00 15.41 C ATOM 409 C CYS A 43 15.046 5.094 112.068 1.00 15.34 C ATOM 410 O CYS A 43 15.152 6.281 112.390 1.00 16.91 O ATOM 411 CB CYS A 43 16.752 3.854 110.764 1.00 16.41 C ATOM 412 SG CYS A 43 17.426 3.329 109.180 1.00 17.92 S ATOM 413 H CYS A 43 16.155 6.562 110.011 1.00 0.00 H ATOM 414 N ALA A 44 14.585 4.158 112.892 1.00 15.53 N ATOM 415 CA ALA A 44 14.303 4.467 114.290 1.00 16.08 C ATOM 416 C ALA A 44 14.680 3.277 115.137 1.00 14.81 C ATOM 417 O ALA A 44 14.410 2.127 114.763 1.00 17.14 O ATOM 418 CB ALA A 44 12.844 4.829 114.498 1.00 19.09 C ATOM 419 H ALA A 44 14.423 3.194 112.536 1.00 0.00 H ATOM 420 N ILE A 45 15.333 3.563 116.260 1.00 14.56 N ATOM 421 CA ILE A 45 15.758 2.544 117.204 1.00 14.84 C ATOM 422 C ILE A 45 15.043 2.772 118.531 1.00 14.86 C ATOM 423 O ILE A 45 15.149 3.850 119.121 1.00 16.26 O ATOM 424 CB ILE A 45 17.286 2.615 117.439 1.00 16.06 C ATOM 425 CG1 ILE A 45 18.058 2.290 116.150 1.00 16.93 C ATOM 426 CG2 ILE A 45 17.711 1.707 118.586 1.00 16.25 C ATOM 427 CD1 ILE A 45 19.540 2.630 116.251 1.00 18.03 C ATOM 428 H ILE A 45 15.548 4.558 116.471 1.00 0.00 H ATOM 429 N PRO A 46 14.311 1.759 119.009 1.00 15.45 N ATOM 430 CA PRO A 46 13.658 1.883 120.313 1.00 16.43 C ATOM 431 C PRO A 46 14.657 1.648 121.439 1.00 16.25 C ATOM 432 O PRO A 46 15.561 0.826 121.284 1.00 17.55 O ATOM 433 CB PRO A 46 12.629 0.751 120.286 1.00 15.91 C ATOM 434 CG PRO A 46 13.264 -0.295 119.426 1.00 15.33 C ATOM 435 CD PRO A 46 14.017 0.467 118.359 1.00 14.73 C ATOM 436 N GLY A 47 14.512 2.361 122.551 1.00 15.80 N ATOM 437 CA GLY A 47 15.355 2.102 123.700 1.00 17.08 C ATOM 438 C GLY A 47 15.035 0.711 124.213 1.00 19.11 C ATOM 439 O GLY A 47 13.893 0.258 124.114 1.00 20.80 O ATOM 440 H GLY A 47 13.790 3.108 122.596 1.00 0.00 H ATOM 441 N ALA A 48 16.036 0.020 124.744 1.00 21.03 N ATOM 442 CA ALA A 48 15.800 -1.301 125.317 1.00 23.05 C ATOM 443 C ALA A 48 14.976 -1.215 126.604 1.00 23.84 C ATOM 444 O ALA A 48 15.221 -0.351 127.451 1.00 22.15 O ATOM 445 CB ALA A 48 17.118 -2.005 125.578 1.00 25.35 C ATOM 446 H ALA A 48 16.995 0.423 124.752 1.00 0.00 H ATOM 447 N ALA A 49 14.010 -2.116 126.759 1.00 26.29 N ATOM 448 CA ALA A 49 13.206 -2.134 127.979 1.00 26.43 C ATOM 449 C ALA A 49 14.083 -2.412 129.194 1.00 26.45 C ATOM 450 O ALA A 49 15.124 -3.057 129.082 1.00 28.77 O ATOM 451 CB ALA A 49 12.086 -3.168 127.888 1.00 29.87 C ATOM 452 H ALA A 49 13.826 -2.811 126.008 1.00 0.00 H ATOM 453 N GLY A 50 13.672 -1.918 130.353 1.00 25.78 N ATOM 454 CA GLY A 50 14.421 -2.167 131.572 1.00 26.04 C ATOM 455 C GLY A 50 15.744 -1.423 131.664 1.00 25.55 C ATOM 456 O GLY A 50 16.541 -1.695 132.567 1.00 26.98 O ATOM 457 H GLY A 50 12.804 -1.346 130.390 1.00 0.00 H ATOM 458 N THR A 51 15.978 -0.495 130.735 1.00 24.33 N ATOM 459 CA THR A 51 17.178 0.336 130.734 1.00 23.29 C ATOM 460 C THR A 51 16.738 1.798 130.805 1.00 23.36 C ATOM 461 O THR A 51 15.556 2.097 130.614 1.00 23.36 O ATOM 462 CB THR A 51 18.044 0.121 129.454 1.00 22.90 C ATOM 463 OG1 THR A 51 17.477 0.853 128.360 1.00 20.72 O ATOM 464 CG2 THR A 51 18.176 -1.359 129.096 1.00 23.75 C ATOM 465 HG1 THR A 51 16.556 0.532 128.192 1.00 0.00 H ATOM 466 H THR A 51 15.276 -0.358 129.980 1.00 0.00 H ATOM 467 N PRO A 52 17.677 2.718 131.083 1.00 24.22 N ATOM 468 CA PRO A 52 17.340 4.149 131.107 1.00 24.10 C ATOM 469 C PRO A 52 16.844 4.681 129.759 1.00 22.59 C ATOM 470 O PRO A 52 16.262 5.767 129.711 1.00 22.04 O ATOM 471 CB PRO A 52 18.675 4.805 131.474 1.00 26.55 C ATOM 472 CG PRO A 52 19.366 3.772 132.283 1.00 28.10 C ATOM 473 CD PRO A 52 19.020 2.469 131.638 1.00 26.45 C ATOM 474 N TRP A 53 17.073 3.927 128.686 1.00 18.99 N ATOM 475 CA TRP A 53 16.651 4.329 127.342 1.00 16.18 C ATOM 476 C TRP A 53 15.214 3.925 127.035 1.00 17.13 C ATOM 477 O TRP A 53 14.665 4.312 126.003 1.00 17.45 O ATOM 478 CB TRP A 53 17.595 3.721 126.287 1.00 17.38 C ATOM 479 CG TRP A 53 18.991 4.180 126.505 1.00 16.74 C ATOM 480 CD1 TRP A 53 19.880 3.703 127.429 1.00 17.43 C ATOM 481 CD2 TRP A 53 19.649 5.255 125.831 1.00 16.47 C ATOM 482 NE1 TRP A 53 21.052 4.411 127.362 1.00 16.88 N ATOM 483 CE2 TRP A 53 20.937 5.372 126.391 1.00 17.23 C ATOM 484 CE3 TRP A 53 19.275 6.126 124.805 1.00 16.18 C ATOM 485 CZ2 TRP A 53 21.850 6.334 125.964 1.00 16.99 C ATOM 486 CZ3 TRP A 53 20.183 7.076 124.379 1.00 16.29 C ATOM 487 CH2 TRP A 53 21.455 7.171 124.953 1.00 17.94 C ATOM 488 HE1 TRP A 53 21.892 4.246 127.952 1.00 0.00 H ATOM 489 H TRP A 53 17.569 3.021 128.806 1.00 0.00 H ATOM 490 N ALA A 54 14.616 3.137 127.925 1.00 19.21 N ATOM 491 CA ALA A 54 13.289 2.569 127.683 1.00 19.59 C ATOM 492 C ALA A 54 12.258 3.647 127.371 1.00 20.49 C ATOM 493 O ALA A 54 12.238 4.700 128.012 1.00 21.44 O ATOM 494 CB ALA A 54 12.845 1.753 128.872 1.00 20.50 C ATOM 495 H ALA A 54 15.105 2.919 128.817 1.00 0.00 H ATOM 496 N GLY A 55 11.416 3.388 126.374 1.00 20.20 N ATOM 497 CA GLY A 55 10.327 4.297 126.050 1.00 19.94 C ATOM 498 C GLY A 55 10.699 5.347 125.022 1.00 20.56 C ATOM 499 O GLY A 55 9.827 6.024 124.474 1.00 23.87 O ATOM 500 H GLY A 55 11.539 2.519 125.816 1.00 0.00 H ATOM 501 N GLY A 56 11.994 5.495 124.756 1.00 18.33 N ATOM 502 CA GLY A 56 12.438 6.437 123.743 1.00 18.19 C ATOM 503 C GLY A 56 12.424 5.789 122.370 1.00 17.45 C ATOM 504 O GLY A 56 12.572 4.569 122.248 1.00 18.05 O ATOM 505 H GLY A 56 12.695 4.931 125.278 1.00 0.00 H ATOM 506 N LEU A 57 12.215 6.599 121.338 1.00 17.40 N ATOM 507 CA LEU A 57 12.352 6.132 119.967 1.00 18.84 C ATOM 508 C LEU A 57 13.292 7.104 119.291 1.00 18.89 C ATOM 509 O LEU A 57 12.981 8.293 119.142 1.00 19.72 O ATOM 510 CB LEU A 57 11.003 6.092 119.245 1.00 20.19 C ATOM 511 CG LEU A 57 11.022 5.448 117.854 1.00 20.80 C ATOM 512 CD1 LEU A 57 11.523 4.011 117.920 1.00 20.45 C ATOM 513 CD2 LEU A 57 9.641 5.507 117.209 1.00 22.20 C ATOM 514 H LEU A 57 11.948 7.589 121.514 1.00 0.00 H ATOM 515 N PHE A 58 14.458 6.603 118.912 1.00 17.25 N ATOM 516 CA PHE A 58 15.554 7.465 118.515 1.00 16.29 C ATOM 517 C PHE A 58 15.765 7.395 117.016 1.00 15.92 C ATOM 518 O PHE A 58 16.137 6.348 116.472 1.00 17.82 O ATOM 519 CB PHE A 58 16.800 7.070 119.310 1.00 16.94 C ATOM 520 CG PHE A 58 16.556 7.049 120.792 1.00 16.82 C ATOM 521 CD1 PHE A 58 16.542 8.236 121.515 1.00 17.62 C ATOM 522 CD2 PHE A 58 16.285 5.860 121.454 1.00 17.08 C ATOM 523 CE1 PHE A 58 16.285 8.240 122.878 1.00 17.33 C ATOM 524 CE2 PHE A 58 16.031 5.850 122.828 1.00 17.99 C ATOM 525 CZ PHE A 58 16.032 7.048 123.539 1.00 17.14 C ATOM 526 H PHE A 58 14.590 5.571 118.899 1.00 0.00 H ATOM 527 N LYS A 59 15.506 8.517 116.348 1.00 17.04 N ATOM 528 CA LYS A 59 15.561 8.559 114.894 1.00 16.90 C ATOM 529 C LYS A 59 16.978 8.728 114.380 1.00 16.05 C ATOM 530 O LYS A 59 17.779 9.487 114.933 1.00 16.25 O ATOM 531 CB LYS A 59 14.660 9.672 114.361 1.00 20.10 C ATOM 532 CG LYS A 59 13.203 9.452 114.741 1.00 27.39 C ATOM 533 CD LYS A 59 12.295 10.559 114.244 1.00 33.98 C ATOM 534 CE LYS A 59 10.861 10.293 114.686 1.00 39.18 C ATOM 535 NZ LYS A 59 9.935 11.409 114.343 1.00 42.33 N ATOM 536 HZ1 LYS A 59 10.256 12.280 114.811 1.00 0.00 H ATOM 537 HZ2 LYS A 59 9.930 11.549 113.313 1.00 0.00 H ATOM 538 HZ3 LYS A 59 8.975 11.173 114.667 1.00 0.00 H ATOM 539 H LYS A 59 15.260 9.379 116.875 1.00 0.00 H ATOM 540 N LEU A 60 17.300 7.998 113.325 1.00 13.80 N ATOM 541 CA LEU A 60 18.601 8.191 112.709 1.00 15.33 C ATOM 542 C LEU A 60 18.581 7.895 111.233 1.00 14.94 C ATOM 543 O LEU A 60 17.714 7.181 110.705 1.00 19.24 O ATOM 544 CB LEU A 60 19.721 7.416 113.416 1.00 16.72 C ATOM 545 CG LEU A 60 19.912 5.944 113.073 1.00 17.34 C ATOM 546 CD1 LEU A 60 21.264 5.451 113.582 1.00 19.70 C ATOM 547 CD2 LEU A 60 18.780 5.151 113.687 1.00 19.03 C ATOM 548 H LEU A 60 16.633 7.298 112.943 1.00 0.00 H ATOM 549 N ARG A 61 19.514 8.531 110.546 1.00 13.85 N ATOM 550 CA ARG A 61 19.581 8.420 109.109 1.00 13.45 C ATOM 551 C ARG A 61 20.768 7.541 108.764 1.00 13.39 C ATOM 552 O ARG A 61 21.822 7.620 109.402 1.00 14.50 O ATOM 553 CB ARG A 61 19.746 9.804 108.479 1.00 15.06 C ATOM 554 CG ARG A 61 19.574 9.801 106.969 1.00 16.98 C ATOM 555 CD ARG A 61 19.552 11.202 106.394 1.00 19.96 C ATOM 556 NE ARG A 61 18.458 11.983 106.960 1.00 22.89 N ATOM 557 CZ ARG A 61 17.212 11.990 106.490 1.00 23.84 C ATOM 558 NH1 ARG A 61 16.892 11.267 105.425 1.00 24.06 N ATOM 559 NH2 ARG A 61 16.286 12.731 107.084 1.00 26.39 N ATOM 560 HE ARG A 61 18.666 12.576 107.789 1.00 0.00 H ATOM 561 HH12 ARG A 61 15.917 11.277 105.063 1.00 0.00 H ATOM 562 HH11 ARG A 61 17.616 10.690 104.952 1.00 0.00 H ATOM 563 HH22 ARG A 61 15.312 12.738 106.719 1.00 0.00 H ATOM 564 HH21 ARG A 61 16.534 13.305 107.915 1.00 0.00 H ATOM 565 H ARG A 61 20.209 9.119 111.048 1.00 0.00 H ATOM 566 N MET A 62 20.581 6.672 107.778 1.00 13.64 N ATOM 567 CA MET A 62 21.643 5.800 107.318 1.00 12.67 C ATOM 568 C MET A 62 21.986 6.170 105.882 1.00 14.06 C ATOM 569 O MET A 62 21.126 6.098 104.996 1.00 17.24 O ATOM 570 CB MET A 62 21.174 4.353 107.397 1.00 12.87 C ATOM 571 CG MET A 62 22.289 3.347 107.553 1.00 13.75 C ATOM 572 SD MET A 62 21.687 1.663 107.775 1.00 14.45 S ATOM 573 CE MET A 62 20.872 1.787 109.357 1.00 19.55 C ATOM 574 H MET A 62 19.647 6.616 107.324 1.00 0.00 H ATOM 575 N LEU A 63 23.232 6.581 105.660 1.00 14.36 N ATOM 576 CA LEU A 63 23.656 7.089 104.358 1.00 14.54 C ATOM 577 C LEU A 63 24.703 6.173 103.736 1.00 14.40 C ATOM 578 O LEU A 63 25.761 5.927 104.330 1.00 16.80 O ATOM 579 CB LEU A 63 24.222 8.502 104.515 1.00 17.38 C ATOM 580 CG LEU A 63 23.242 9.513 105.113 1.00 21.98 C ATOM 581 CD1 LEU A 63 23.964 10.765 105.589 1.00 25.28 C ATOM 582 CD2 LEU A 63 22.194 9.879 104.081 1.00 23.96 C ATOM 583 H LEU A 63 23.924 6.539 106.436 1.00 0.00 H ATOM 584 N PHE A 64 24.402 5.660 102.547 1.00 14.77 N ATOM 585 CA PHE A 64 25.288 4.717 101.866 1.00 14.46 C ATOM 586 C PHE A 64 26.079 5.373 100.742 1.00 16.91 C ATOM 587 O PHE A 64 25.531 6.154 99.963 1.00 20.16 O ATOM 588 CB PHE A 64 24.459 3.574 101.287 1.00 14.44 C ATOM 589 CG PHE A 64 23.742 2.770 102.328 1.00 14.74 C ATOM 590 CD1 PHE A 64 22.462 3.124 102.736 1.00 15.62 C ATOM 591 CD2 PHE A 64 24.360 1.677 102.927 1.00 13.89 C ATOM 592 CE1 PHE A 64 21.805 2.393 103.702 1.00 15.67 C ATOM 593 CE2 PHE A 64 23.702 0.936 103.898 1.00 14.89 C ATOM 594 CZ PHE A 64 22.426 1.298 104.286 1.00 15.36 C ATOM 595 H PHE A 64 23.511 5.937 102.088 1.00 0.00 H ATOM 596 N LYS A 65 27.364 5.038 100.663 1.00 17.20 N ATOM 597 CA LYS A 65 28.214 5.490 99.566 1.00 18.18 C ATOM 598 C LYS A 65 28.032 4.603 98.339 1.00 17.94 C ATOM 599 O LYS A 65 27.555 3.461 98.439 1.00 17.71 O ATOM 600 CB LYS A 65 29.691 5.480 99.975 1.00 22.54 C ATOM 601 CG LYS A 65 30.087 6.590 100.938 1.00 27.08 C ATOM 602 CD LYS A 65 31.601 6.639 101.132 1.00 31.73 C ATOM 603 CE LYS A 65 32.053 5.671 102.207 1.00 35.84 C ATOM 604 NZ LYS A 65 33.536 5.673 102.387 1.00 38.99 N ATOM 605 HZ1 LYS A 65 33.993 5.399 101.494 1.00 0.00 H ATOM 606 HZ2 LYS A 65 33.850 6.626 102.660 1.00 0.00 H ATOM 607 HZ3 LYS A 65 33.794 4.995 103.132 1.00 0.00 H ATOM 608 H LYS A 65 27.775 4.436 101.405 1.00 0.00 H ATOM 609 N ASP A 66 28.436 5.120 97.182 1.00 19.87 N ATOM 610 CA ASP A 66 28.308 4.361 95.940 1.00 20.96 C ATOM 611 C ASP A 66 29.058 3.030 95.960 1.00 21.83 C ATOM 612 O ASP A 66 28.677 2.096 95.249 1.00 24.68 O ATOM 613 CB ASP A 66 28.750 5.201 94.745 1.00 25.20 C ATOM 614 CG ASP A 66 27.763 6.299 94.415 1.00 32.07 C ATOM 615 OD1 ASP A 66 26.632 6.272 94.958 1.00 35.18 O ATOM 616 OD2 ASP A 66 28.116 7.184 93.612 1.00 35.35 O ATOM 617 H ASP A 66 28.847 6.075 97.161 1.00 0.00 H ATOM 618 N ASP A 67 30.104 2.925 96.778 1.00 19.56 N ATOM 619 CA ASP A 67 30.861 1.676 96.837 1.00 19.70 C ATOM 620 C ASP A 67 30.372 0.689 97.905 1.00 17.93 C ATOM 621 O ASP A 67 30.999 -0.342 98.118 1.00 19.61 O ATOM 622 CB ASP A 67 32.377 1.928 96.943 1.00 21.27 C ATOM 623 CG ASP A 67 32.791 2.523 98.279 1.00 25.06 C ATOM 624 OD1 ASP A 67 31.903 2.867 99.082 1.00 27.15 O ATOM 625 OD2 ASP A 67 34.015 2.655 98.522 1.00 25.66 O ATOM 626 H ASP A 67 30.382 3.731 97.374 1.00 0.00 H ATOM 627 N TYR A 68 29.256 0.995 98.566 1.00 16.72 N ATOM 628 CA TYR A 68 28.642 0.029 99.474 1.00 14.87 C ATOM 629 C TYR A 68 28.404 -1.289 98.714 1.00 15.42 C ATOM 630 O TYR A 68 27.964 -1.281 97.560 1.00 16.62 O ATOM 631 CB TYR A 68 27.331 0.607 100.035 1.00 15.93 C ATOM 632 CG TYR A 68 26.505 -0.380 100.828 1.00 13.51 C ATOM 633 CD1 TYR A 68 26.796 -0.659 102.163 1.00 13.91 C ATOM 634 CD2 TYR A 68 25.439 -1.042 100.238 1.00 13.90 C ATOM 635 CE1 TYR A 68 26.039 -1.578 102.885 1.00 14.55 C ATOM 636 CE2 TYR A 68 24.686 -1.950 100.942 1.00 14.75 C ATOM 637 CZ TYR A 68 24.986 -2.219 102.259 1.00 14.21 C ATOM 638 OH TYR A 68 24.220 -3.134 102.937 1.00 16.93 O ATOM 639 HH TYR A 68 24.554 -3.220 103.865 1.00 0.00 H ATOM 640 H TYR A 68 28.818 1.929 98.434 1.00 0.00 H ATOM 641 N PRO A 69 28.686 -2.437 99.352 1.00 14.08 N ATOM 642 CA PRO A 69 29.073 -2.666 100.751 1.00 12.89 C ATOM 643 C PRO A 69 30.567 -2.734 101.035 1.00 12.87 C ATOM 644 O PRO A 69 30.945 -3.259 102.086 1.00 13.89 O ATOM 645 CB PRO A 69 28.427 -4.018 101.052 1.00 14.16 C ATOM 646 CG PRO A 69 28.564 -4.751 99.745 1.00 14.73 C ATOM 647 CD PRO A 69 28.356 -3.702 98.668 1.00 13.25 C ATOM 648 N SER A 70 31.404 -2.200 100.149 1.00 13.55 N ATOM 649 CA SER A 70 32.816 -2.055 100.473 1.00 14.23 C ATOM 650 C SER A 70 32.969 -1.214 101.737 1.00 14.35 C ATOM 651 O SER A 70 33.778 -1.528 102.619 1.00 16.16 O ATOM 652 CB SER A 70 33.570 -1.400 99.313 1.00 13.94 C ATOM 653 OG SER A 70 34.960 -1.368 99.558 1.00 15.28 O ATOM 654 HG SER A 70 35.137 -0.849 100.382 1.00 0.00 H ATOM 655 H SER A 70 31.049 -1.886 99.223 1.00 0.00 H ATOM 656 N SER A 71 32.172 -0.150 101.818 1.00 15.54 N ATOM 657 CA SER A 71 32.202 0.775 102.940 1.00 15.85 C ATOM 658 C SER A 71 30.950 0.633 103.788 1.00 14.54 C ATOM 659 O SER A 71 29.887 0.267 103.283 1.00 15.46 O ATOM 660 CB SER A 71 32.249 2.193 102.391 1.00 18.07 C ATOM 661 OG SER A 71 31.190 2.385 101.461 1.00 21.00 O ATOM 662 HG SER A 71 30.323 2.238 101.915 1.00 0.00 H ATOM 663 H SER A 71 31.499 0.027 101.045 1.00 0.00 H ATOM 664 N PRO A 72 31.067 0.938 105.083 1.00 14.27 N ATOM 665 CA PRO A 72 29.884 0.975 105.943 1.00 13.77 C ATOM 666 C PRO A 72 29.051 2.218 105.650 1.00 14.16 C ATOM 667 O PRO A 72 29.569 3.212 105.134 1.00 14.34 O ATOM 668 CB PRO A 72 30.484 1.096 107.349 1.00 15.08 C ATOM 669 CG PRO A 72 31.798 1.804 107.133 1.00 15.80 C ATOM 670 CD PRO A 72 32.302 1.299 105.808 1.00 14.50 C ATOM 671 N PRO A 73 27.759 2.187 106.001 1.00 12.96 N ATOM 672 CA PRO A 73 27.024 3.449 105.918 1.00 14.28 C ATOM 673 C PRO A 73 27.454 4.403 107.026 1.00 13.30 C ATOM 674 O PRO A 73 28.000 3.967 108.048 1.00 15.41 O ATOM 675 CB PRO A 73 25.575 3.021 106.175 1.00 15.69 C ATOM 676 CG PRO A 73 25.698 1.822 107.034 1.00 15.47 C ATOM 677 CD PRO A 73 26.915 1.086 106.496 1.00 14.56 C ATOM 678 N LYS A 74 27.245 5.694 106.798 1.00 13.23 N ATOM 679 CA LYS A 74 27.338 6.684 107.862 1.00 13.01 C ATOM 680 C LYS A 74 25.991 6.682 108.577 1.00 12.80 C ATOM 681 O LYS A 74 24.943 6.774 107.932 1.00 14.48 O ATOM 682 CB LYS A 74 27.631 8.074 107.287 1.00 13.43 C ATOM 683 CG LYS A 74 27.640 9.204 108.324 1.00 15.53 C ATOM 684 CD LYS A 74 27.921 10.561 107.674 1.00 17.18 C ATOM 685 CE LYS A 74 28.074 11.678 108.704 1.00 18.69 C ATOM 686 NZ LYS A 74 28.343 12.998 108.043 1.00 21.24 N ATOM 687 HZ1 LYS A 74 29.222 12.935 107.490 1.00 0.00 H ATOM 688 HZ2 LYS A 74 27.551 13.236 107.412 1.00 0.00 H ATOM 689 HZ3 LYS A 74 28.442 13.735 108.770 1.00 0.00 H ATOM 690 H LYS A 74 27.009 6.006 105.835 1.00 0.00 H ATOM 691 N CYS A 75 26.008 6.551 109.898 1.00 12.10 N ATOM 692 CA CYS A 75 24.768 6.507 110.660 1.00 11.81 C ATOM 693 C CYS A 75 24.727 7.718 111.567 1.00 11.23 C ATOM 694 O CYS A 75 25.657 7.932 112.351 1.00 13.86 O ATOM 695 CB CYS A 75 24.697 5.227 111.493 1.00 14.13 C ATOM 696 SG CYS A 75 24.694 3.729 110.486 1.00 15.85 S ATOM 697 H CYS A 75 26.919 6.479 110.395 1.00 0.00 H ATOM 698 N LYS A 76 23.662 8.511 111.463 1.00 12.08 N ATOM 699 CA LYS A 76 23.615 9.806 112.124 1.00 12.67 C ATOM 700 C LYS A 76 22.287 9.968 112.842 1.00 13.12 C ATOM 701 O LYS A 76 21.230 9.953 112.208 1.00 15.55 O ATOM 702 CB LYS A 76 23.764 10.908 111.062 1.00 16.22 C ATOM 703 CG LYS A 76 24.023 12.322 111.564 1.00 21.05 C ATOM 704 CD LYS A 76 24.355 13.200 110.353 1.00 25.32 C ATOM 705 CE LYS A 76 24.710 14.627 110.708 1.00 31.69 C ATOM 706 NZ LYS A 76 25.078 15.353 109.464 1.00 33.34 N ATOM 707 HZ1 LYS A 76 25.895 14.886 109.020 1.00 0.00 H ATOM 708 HZ2 LYS A 76 24.272 15.343 108.807 1.00 0.00 H ATOM 709 HZ3 LYS A 76 25.324 16.336 109.698 1.00 0.00 H ATOM 710 H LYS A 76 22.847 8.198 110.898 1.00 0.00 H ATOM 711 N PHE A 77 22.330 10.121 114.161 1.00 12.86 N ATOM 712 CA PHE A 77 21.125 10.463 114.906 1.00 12.80 C ATOM 713 C PHE A 77 20.634 11.860 114.542 1.00 14.05 C ATOM 714 O PHE A 77 21.424 12.807 114.471 1.00 14.63 O ATOM 715 CB PHE A 77 21.377 10.343 116.408 1.00 13.79 C ATOM 716 CG PHE A 77 21.351 8.928 116.896 1.00 13.41 C ATOM 717 CD1 PHE A 77 20.154 8.219 116.924 1.00 13.60 C ATOM 718 CD2 PHE A 77 22.508 8.307 117.338 1.00 12.30 C ATOM 719 CE1 PHE A 77 20.115 6.906 117.371 1.00 13.85 C ATOM 720 CE2 PHE A 77 22.479 6.995 117.789 1.00 12.77 C ATOM 721 CZ PHE A 77 21.283 6.292 117.803 1.00 13.40 C ATOM 722 H PHE A 77 23.231 9.996 114.666 1.00 0.00 H ATOM 723 N GLU A 78 19.329 11.971 114.295 1.00 15.17 N ATOM 724 CA GLU A 78 18.693 13.238 113.965 1.00 18.04 C ATOM 725 C GLU A 78 17.427 13.398 114.798 1.00 18.74 C ATOM 726 O GLU A 78 16.427 12.725 114.541 1.00 21.60 O ATOM 727 CB GLU A 78 18.336 13.279 112.482 1.00 22.04 C ATOM 728 CG GLU A 78 19.534 13.263 111.552 1.00 26.18 C ATOM 729 CD GLU A 78 19.137 13.353 110.088 1.00 33.41 C ATOM 730 OE1 GLU A 78 17.946 13.125 109.782 1.00 36.58 O ATOM 731 OE2 GLU A 78 20.011 13.653 109.247 1.00 35.80 O ATOM 732 H GLU A 78 18.740 11.115 114.340 1.00 0.00 H ATOM 733 N PRO A 79 17.453 14.290 115.799 1.00 18.12 N ATOM 734 CA PRO A 79 18.548 15.173 116.211 1.00 17.40 C ATOM 735 C PRO A 79 19.680 14.432 116.920 1.00 16.96 C ATOM 736 O PRO A 79 19.528 13.257 117.268 1.00 17.53 O ATOM 737 CB PRO A 79 17.860 16.126 117.194 1.00 20.51 C ATOM 738 CG PRO A 79 16.770 15.326 117.767 1.00 21.39 C ATOM 739 CD PRO A 79 16.257 14.488 116.634 1.00 19.07 C ATOM 740 N PRO A 80 20.823 15.106 117.115 1.00 17.54 N ATOM 741 CA PRO A 80 21.915 14.485 117.875 1.00 17.19 C ATOM 742 C PRO A 80 21.494 14.064 119.289 1.00 18.52 C ATOM 743 O PRO A 80 20.616 14.691 119.898 1.00 21.23 O ATOM 744 CB PRO A 80 22.959 15.603 117.946 1.00 19.01 C ATOM 745 CG PRO A 80 22.698 16.439 116.726 1.00 21.31 C ATOM 746 CD PRO A 80 21.210 16.414 116.550 1.00 19.80 C ATOM 747 N LEU A 81 22.143 13.021 119.796 1.00 17.82 N ATOM 748 CA LEU A 81 21.822 12.469 121.110 1.00 18.50 C ATOM 749 C LEU A 81 22.956 12.654 122.096 1.00 16.71 C ATOM 750 O LEU A 81 24.127 12.706 121.716 1.00 18.00 O ATOM 751 CB LEU A 81 21.537 10.966 121.014 1.00 21.57 C ATOM 752 CG LEU A 81 20.345 10.503 120.189 1.00 23.90 C ATOM 753 CD1 LEU A 81 20.215 8.992 120.299 1.00 23.22 C ATOM 754 CD2 LEU A 81 19.076 11.190 120.662 1.00 25.72 C ATOM 755 H LEU A 81 22.904 12.583 119.239 1.00 0.00 H ATOM 756 N PHE A 82 22.588 12.736 123.372 1.00 15.37 N ATOM 757 CA PHE A 82 23.537 12.707 124.482 1.00 15.34 C ATOM 758 C PHE A 82 23.951 11.242 124.666 1.00 15.17 C ATOM 759 O PHE A 82 23.120 10.393 125.013 1.00 15.94 O ATOM 760 CB PHE A 82 22.836 13.245 125.737 1.00 16.11 C ATOM 761 CG PHE A 82 23.629 13.118 127.012 1.00 17.44 C ATOM 762 CD1 PHE A 82 23.483 12.000 127.826 1.00 19.10 C ATOM 763 CD2 PHE A 82 24.481 14.136 127.421 1.00 17.61 C ATOM 764 CE1 PHE A 82 24.191 11.884 129.020 1.00 19.02 C ATOM 765 CE2 PHE A 82 25.188 14.043 128.627 1.00 19.37 C ATOM 766 CZ PHE A 82 25.045 12.911 129.424 1.00 19.06 C ATOM 767 H PHE A 82 21.575 12.825 123.590 1.00 0.00 H ATOM 768 N HIS A 83 25.223 10.945 124.393 1.00 13.94 N ATOM 769 CA HIS A 83 25.794 9.601 124.530 1.00 13.03 C ATOM 770 C HIS A 83 27.295 9.731 124.300 1.00 12.86 C ATOM 771 O HIS A 83 27.710 10.480 123.421 1.00 14.25 O ATOM 772 CB HIS A 83 25.202 8.630 123.494 1.00 12.00 C ATOM 773 CG HIS A 83 25.690 7.220 123.647 1.00 13.15 C ATOM 774 ND1 HIS A 83 26.933 6.809 123.209 1.00 13.24 N ATOM 775 CD2 HIS A 83 25.111 6.133 124.213 1.00 14.36 C ATOM 776 CE1 HIS A 83 27.092 5.524 123.483 1.00 13.40 C ATOM 777 NE2 HIS A 83 26.007 5.094 124.102 1.00 14.05 N ATOM 778 H HIS A 83 25.845 11.711 124.064 1.00 0.00 H ATOM 779 N PRO A 84 28.119 9.014 125.088 1.00 12.85 N ATOM 780 CA PRO A 84 29.570 9.222 124.962 1.00 14.00 C ATOM 781 C PRO A 84 30.167 8.918 123.583 1.00 14.24 C ATOM 782 O PRO A 84 31.224 9.467 123.258 1.00 15.28 O ATOM 783 CB PRO A 84 30.153 8.249 125.992 1.00 14.82 C ATOM 784 CG PRO A 84 29.049 8.088 127.017 1.00 13.57 C ATOM 785 CD PRO A 84 27.794 8.068 126.172 1.00 13.36 C ATOM 786 N ASN A 85 29.509 8.074 122.792 1.00 12.84 N ATOM 787 CA ASN A 85 30.049 7.638 121.510 1.00 13.26 C ATOM 788 C ASN A 85 29.250 8.175 120.333 1.00 13.67 C ATOM 789 O ASN A 85 29.315 7.628 119.232 1.00 14.67 O ATOM 790 CB ASN A 85 30.076 6.114 121.445 1.00 15.06 C ATOM 791 CG ASN A 85 30.818 5.508 122.605 1.00 16.20 C ATOM 792 OD1 ASN A 85 30.240 4.800 123.419 1.00 16.67 O ATOM 793 ND2 ASN A 85 32.112 5.786 122.690 1.00 18.20 N ATOM 794 HD22 ASN A 85 32.562 6.393 121.975 1.00 0.00 H ATOM 795 HD21 ASN A 85 32.677 5.397 123.472 1.00 0.00 H ATOM 796 H ASN A 85 28.582 7.715 123.097 1.00 0.00 H ATOM 797 N VAL A 86 28.496 9.247 120.559 1.00 12.98 N ATOM 798 CA VAL A 86 27.803 9.907 119.463 1.00 12.86 C ATOM 799 C VAL A 86 28.398 11.301 119.326 1.00 11.29 C ATOM 800 O VAL A 86 28.376 12.075 120.279 1.00 13.71 O ATOM 801 CB VAL A 86 26.272 9.969 119.708 1.00 12.12 C ATOM 802 CG1 VAL A 86 25.577 10.784 118.604 1.00 14.70 C ATOM 803 CG2 VAL A 86 25.691 8.548 119.776 1.00 13.68 C ATOM 804 H VAL A 86 28.401 9.616 121.527 1.00 0.00 H ATOM 805 N TYR A 87 28.962 11.619 118.157 1.00 13.10 N ATOM 806 CA TYR A 87 29.526 12.954 117.940 1.00 13.00 C ATOM 807 C TYR A 87 28.446 14.023 118.055 1.00 14.33 C ATOM 808 O TYR A 87 27.260 13.729 117.884 1.00 15.37 O ATOM 809 CB TYR A 87 30.190 13.045 116.565 1.00 13.51 C ATOM 810 CG TYR A 87 31.459 12.244 116.482 1.00 13.61 C ATOM 811 CD1 TYR A 87 32.632 12.712 117.065 1.00 15.54 C ATOM 812 CD2 TYR A 87 31.489 11.015 115.831 1.00 15.18 C ATOM 813 CE1 TYR A 87 33.803 11.981 117.005 1.00 16.48 C ATOM 814 CE2 TYR A 87 32.659 10.270 115.764 1.00 17.48 C ATOM 815 CZ TYR A 87 33.810 10.759 116.353 1.00 17.02 C ATOM 816 OH TYR A 87 34.975 10.031 116.288 1.00 20.81 O ATOM 817 HH TYR A 87 35.696 10.522 116.757 1.00 0.00 H ATOM 818 H TYR A 87 29.001 10.913 117.395 1.00 0.00 H ATOM 819 N PRO A 88 28.850 15.266 118.357 1.00 14.54 N ATOM 820 CA PRO A 88 27.887 16.366 118.418 1.00 15.53 C ATOM 821 C PRO A 88 27.087 16.519 117.124 1.00 15.22 C ATOM 822 O PRO A 88 25.973 17.040 117.172 1.00 17.95 O ATOM 823 CB PRO A 88 28.780 17.584 118.641 1.00 17.03 C ATOM 824 CG PRO A 88 29.943 17.043 119.411 1.00 18.00 C ATOM 825 CD PRO A 88 30.180 15.671 118.847 1.00 14.78 C ATOM 826 N SER A 89 27.639 16.074 115.993 1.00 13.70 N ATOM 827 CA SER A 89 26.915 16.116 114.725 1.00 14.41 C ATOM 828 C SER A 89 25.758 15.127 114.686 1.00 15.32 C ATOM 829 O SER A 89 24.856 15.249 113.848 1.00 15.92 O ATOM 830 CB SER A 89 27.862 15.753 113.585 1.00 13.42 C ATOM 831 OG SER A 89 28.286 14.401 113.753 1.00 13.89 O ATOM 832 HG SER A 89 28.902 14.156 113.017 1.00 0.00 H ATOM 833 H SER A 89 28.605 15.689 116.015 1.00 0.00 H ATOM 834 N GLY A 90 25.796 14.134 115.570 1.00 13.67 N ATOM 835 CA GLY A 90 24.844 13.039 115.543 1.00 13.48 C ATOM 836 C GLY A 90 25.457 11.752 115.016 1.00 12.87 C ATOM 837 O GLY A 90 24.880 10.680 115.163 1.00 13.33 O ATOM 838 H GLY A 90 26.532 14.143 116.305 1.00 0.00 H ATOM 839 N THR A 91 26.617 11.846 114.374 1.00 12.27 N ATOM 840 CA THR A 91 27.234 10.650 113.798 1.00 11.96 C ATOM 841 C THR A 91 27.654 9.657 114.868 1.00 11.10 C ATOM 842 O THR A 91 28.236 10.033 115.897 1.00 13.74 O ATOM 843 CB THR A 91 28.431 11.025 112.907 1.00 14.21 C ATOM 844 OG1 THR A 91 27.952 11.869 111.863 1.00 16.36 O ATOM 845 CG2 THR A 91 29.084 9.786 112.294 1.00 16.22 C ATOM 846 HG1 THR A 91 27.549 12.683 112.257 1.00 0.00 H ATOM 847 H THR A 91 27.086 12.769 114.281 1.00 0.00 H ATOM 848 N VAL A 92 27.339 8.385 114.619 1.00 12.15 N ATOM 849 CA VAL A 92 27.647 7.310 115.555 1.00 11.76 C ATOM 850 C VAL A 92 29.075 6.798 115.382 1.00 13.69 C ATOM 851 O VAL A 92 29.507 6.508 114.261 1.00 15.38 O ATOM 852 CB VAL A 92 26.677 6.125 115.375 1.00 13.43 C ATOM 853 CG1 VAL A 92 27.070 4.969 116.286 1.00 15.99 C ATOM 854 CG2 VAL A 92 25.243 6.568 115.649 1.00 14.46 C ATOM 855 H VAL A 92 26.857 8.152 113.727 1.00 0.00 H ATOM 856 N CYS A 93 29.800 6.696 116.498 1.00 13.49 N ATOM 857 CA CYS A 93 31.144 6.132 116.519 1.00 14.16 C ATOM 858 C CYS A 93 31.049 4.692 117.033 1.00 14.96 C ATOM 859 O CYS A 93 30.758 4.458 118.213 1.00 16.06 O ATOM 860 CB CYS A 93 32.066 6.965 117.428 1.00 18.67 C ATOM 861 SG CYS A 93 33.834 6.480 117.395 1.00 25.57 S ATOM 862 H CYS A 93 29.388 7.034 117.391 1.00 0.00 H ATOM 863 N LEU A 94 31.284 3.732 116.145 1.00 15.30 N ATOM 864 CA LEU A 94 31.139 2.324 116.475 1.00 15.73 C ATOM 865 C LEU A 94 32.090 1.560 115.570 1.00 15.84 C ATOM 866 O LEU A 94 32.162 1.858 114.378 1.00 16.32 O ATOM 867 CB LEU A 94 29.692 1.895 116.234 1.00 16.50 C ATOM 868 CG LEU A 94 29.282 0.464 116.564 1.00 17.14 C ATOM 869 CD1 LEU A 94 29.527 0.176 118.034 1.00 19.68 C ATOM 870 CD2 LEU A 94 27.815 0.256 116.201 1.00 18.13 C ATOM 871 H LEU A 94 31.581 3.996 115.184 1.00 0.00 H ATOM 872 N SER A 95 32.809 0.581 116.119 1.00 19.60 N ATOM 873 CA SER A 95 33.859 -0.101 115.367 1.00 21.27 C ATOM 874 C SER A 95 33.348 -0.792 114.096 1.00 19.35 C ATOM 875 O SER A 95 34.029 -0.783 113.065 1.00 19.93 O ATOM 876 CB SER A 95 34.622 -1.088 116.257 1.00 24.07 C ATOM 877 OG SER A 95 33.794 -2.161 116.665 1.00 27.21 O ATOM 878 HG SER A 95 33.024 -1.806 117.176 1.00 0.00 H ATOM 879 H SER A 95 32.619 0.297 117.101 1.00 0.00 H ATOM 880 N ILE A 96 32.153 -1.382 114.146 1.00 17.25 N ATOM 881 CA ILE A 96 31.615 -2.021 112.934 1.00 16.17 C ATOM 882 C ILE A 96 31.256 -1.014 111.838 1.00 16.22 C ATOM 883 O ILE A 96 31.010 -1.403 110.690 1.00 17.86 O ATOM 884 CB ILE A 96 30.389 -2.946 113.189 1.00 17.53 C ATOM 885 CG1 ILE A 96 29.222 -2.190 113.833 1.00 19.61 C ATOM 886 CG2 ILE A 96 30.769 -4.165 114.014 1.00 19.92 C ATOM 887 CD1 ILE A 96 27.907 -2.972 113.759 1.00 20.35 C ATOM 888 H ILE A 96 31.607 -1.391 115.031 1.00 0.00 H ATOM 889 N LEU A 97 31.234 0.274 112.187 1.00 15.19 N ATOM 890 CA LEU A 97 30.892 1.325 111.235 1.00 15.75 C ATOM 891 C LEU A 97 32.120 2.037 110.672 1.00 16.93 C ATOM 892 O LEU A 97 32.005 3.119 110.090 1.00 18.56 O ATOM 893 CB LEU A 97 29.927 2.332 111.859 1.00 16.55 C ATOM 894 CG LEU A 97 28.572 1.744 112.238 1.00 17.58 C ATOM 895 CD1 LEU A 97 27.711 2.814 112.907 1.00 17.92 C ATOM 896 CD2 LEU A 97 27.882 1.177 111.012 1.00 20.55 C ATOM 897 H LEU A 97 31.467 0.536 113.166 1.00 0.00 H ATOM 898 N GLU A 98 33.300 1.448 110.853 1.00 18.86 N ATOM 899 CA GLU A 98 34.514 1.979 110.226 1.00 21.39 C ATOM 900 C GLU A 98 35.189 0.896 109.397 1.00 20.67 C ATOM 901 O GLU A 98 35.452 -0.203 109.896 1.00 20.22 O ATOM 902 CB GLU A 98 35.489 2.552 111.263 1.00 23.85 C ATOM 903 CG GLU A 98 36.849 2.922 110.676 1.00 26.14 C ATOM 904 CD GLU A 98 37.612 3.948 111.500 1.00 27.99 C ATOM 905 OE1 GLU A 98 37.059 4.445 112.507 1.00 28.54 O ATOM 906 OE2 GLU A 98 38.768 4.260 111.133 1.00 27.32 O ATOM 907 H GLU A 98 33.362 0.598 111.449 1.00 0.00 H ATOM 908 N GLU A 99 35.453 1.221 108.131 1.00 22.41 N ATOM 909 CA GLU A 99 35.986 0.291 107.139 1.00 25.29 C ATOM 910 C GLU A 99 37.235 -0.428 107.646 1.00 28.14 C ATOM 911 O GLU A 99 37.368 -1.649 107.518 1.00 30.98 O ATOM 912 CB GLU A 99 36.304 1.063 105.847 1.00 27.46 C ATOM 913 CG GLU A 99 36.309 0.237 104.559 1.00 28.02 C ATOM 914 CD GLU A 99 36.459 1.093 103.297 1.00 26.73 C ATOM 915 OE1 GLU A 99 35.465 1.724 102.873 1.00 27.03 O ATOM 916 OE2 GLU A 99 37.571 1.132 102.725 1.00 26.40 O ATOM 917 H GLU A 99 35.267 2.199 107.831 1.00 0.00 H ATOM 918 N ASP A 100 38.160 0.339 108.219 1.00 30.36 N ATOM 919 CA ASP A 100 39.421 -0.273 108.638 1.00 34.71 C ATOM 920 C ASP A 100 39.449 -0.696 110.102 1.00 33.51 C ATOM 921 O ASP A 100 40.513 -0.977 110.657 1.00 36.17 O ATOM 922 CB ASP A 100 40.634 0.587 108.264 1.00 39.98 C ATOM 923 CG ASP A 100 40.505 2.011 108.732 1.00 45.08 C ATOM 924 OD1 ASP A 100 40.191 2.219 109.925 1.00 46.42 O ATOM 925 OD2 ASP A 100 40.719 2.922 107.899 1.00 48.74 O ATOM 926 H ASP A 100 37.989 1.354 108.366 1.00 0.00 H ATOM 927 N LYS A 101 38.275 -0.750 110.723 1.00 29.97 N ATOM 928 CA LYS A 101 38.151 -1.433 112.002 1.00 27.65 C ATOM 929 C LYS A 101 37.368 -2.731 111.831 1.00 25.80 C ATOM 930 O LYS A 101 37.902 -3.711 111.313 1.00 28.38 O ATOM 931 CB LYS A 101 37.542 -0.522 113.066 1.00 28.35 C ATOM 932 CG LYS A 101 38.482 0.602 113.449 1.00 31.51 C ATOM 933 CD LYS A 101 37.931 1.453 114.568 1.00 33.32 C ATOM 934 CE LYS A 101 38.856 2.618 114.854 1.00 36.73 C ATOM 935 NZ LYS A 101 38.322 3.484 115.939 1.00 38.82 N ATOM 936 HZ1 LYS A 101 37.395 3.861 115.656 1.00 0.00 H ATOM 937 HZ2 LYS A 101 38.219 2.924 116.809 1.00 0.00 H ATOM 938 HZ3 LYS A 101 38.980 4.271 116.108 1.00 0.00 H ATOM 939 H LYS A 101 37.441 -0.302 110.293 1.00 0.00 H ATOM 940 N ASP A 102 36.101 -2.742 112.235 1.00 22.98 N ATOM 941 CA ASP A 102 35.351 -3.998 112.245 1.00 21.26 C ATOM 942 C ASP A 102 34.250 -4.139 111.188 1.00 18.68 C ATOM 943 O ASP A 102 33.541 -5.149 111.166 1.00 19.67 O ATOM 944 CB ASP A 102 34.806 -4.284 113.651 1.00 23.52 C ATOM 945 CG ASP A 102 35.911 -4.479 114.670 1.00 29.32 C ATOM 946 OD1 ASP A 102 37.049 -4.792 114.263 1.00 32.00 O ATOM 947 OD2 ASP A 102 35.643 -4.305 115.876 1.00 31.53 O ATOM 948 H ASP A 102 35.644 -1.860 112.543 1.00 0.00 H ATOM 949 N TRP A 103 34.112 -3.161 110.294 1.00 16.79 N ATOM 950 CA TRP A 103 33.183 -3.347 109.177 1.00 13.43 C ATOM 951 C TRP A 103 33.538 -4.566 108.329 1.00 16.00 C ATOM 952 O TRP A 103 34.718 -4.813 108.033 1.00 17.95 O ATOM 953 CB TRP A 103 33.130 -2.106 108.272 1.00 14.80 C ATOM 954 CG TRP A 103 32.298 -2.316 107.024 1.00 13.53 C ATOM 955 CD1 TRP A 103 32.756 -2.441 105.731 1.00 14.24 C ATOM 956 CD2 TRP A 103 30.870 -2.446 106.956 1.00 12.50 C ATOM 957 NE1 TRP A 103 31.696 -2.641 104.871 1.00 12.42 N ATOM 958 CE2 TRP A 103 30.528 -2.636 105.596 1.00 11.65 C ATOM 959 CE3 TRP A 103 29.845 -2.414 107.914 1.00 13.18 C ATOM 960 CZ2 TRP A 103 29.201 -2.797 105.173 1.00 13.34 C ATOM 961 CZ3 TRP A 103 28.529 -2.571 107.493 1.00 13.38 C ATOM 962 CH2 TRP A 103 28.219 -2.760 106.133 1.00 13.92 C ATOM 963 HE1 TRP A 103 31.769 -2.774 103.842 1.00 0.00 H ATOM 964 H TRP A 103 34.655 -2.279 110.388 1.00 0.00 H ATOM 965 N ARG A 104 32.506 -5.337 107.984 1.00 13.75 N ATOM 966 CA ARG A 104 32.608 -6.395 106.988 1.00 14.14 C ATOM 967 C ARG A 104 31.454 -6.212 106.023 1.00 13.91 C ATOM 968 O ARG A 104 30.337 -5.936 106.450 1.00 14.31 O ATOM 969 CB ARG A 104 32.493 -7.771 107.642 1.00 16.25 C ATOM 970 CG ARG A 104 33.573 -8.080 108.645 1.00 18.98 C ATOM 971 CD ARG A 104 33.507 -9.536 109.071 1.00 21.98 C ATOM 972 NE ARG A 104 34.711 -9.935 109.789 1.00 22.66 N ATOM 973 CZ ARG A 104 35.140 -11.187 109.899 1.00 21.95 C ATOM 974 NH1 ARG A 104 34.465 -12.176 109.332 1.00 22.53 N ATOM 975 NH2 ARG A 104 36.251 -11.444 110.567 1.00 23.55 N ATOM 976 HE ARG A 104 35.272 -9.188 110.246 1.00 0.00 H ATOM 977 HH12 ARG A 104 34.804 -13.155 109.421 1.00 0.00 H ATOM 978 HH11 ARG A 104 33.596 -11.973 108.798 1.00 0.00 H ATOM 979 HH22 ARG A 104 36.590 -12.423 110.655 1.00 0.00 H ATOM 980 HH21 ARG A 104 36.786 -10.667 111.004 1.00 0.00 H ATOM 981 H ARG A 104 31.588 -5.176 108.446 1.00 0.00 H ATOM 982 N PRO A 105 31.717 -6.357 104.714 1.00 14.29 N ATOM 983 CA PRO A 105 30.647 -6.174 103.724 1.00 14.53 C ATOM 984 C PRO A 105 29.394 -7.012 104.001 1.00 14.89 C ATOM 985 O PRO A 105 28.301 -6.569 103.655 1.00 16.50 O ATOM 986 CB PRO A 105 31.314 -6.599 102.419 1.00 16.04 C ATOM 987 CG PRO A 105 32.747 -6.195 102.619 1.00 17.17 C ATOM 988 CD PRO A 105 33.035 -6.522 104.072 1.00 13.82 C ATOM 989 N ALA A 106 29.542 -8.178 104.633 1.00 15.65 N ATOM 990 CA ALA A 106 28.398 -9.043 104.922 1.00 15.78 C ATOM 991 C ALA A 106 27.451 -8.527 106.010 1.00 16.81 C ATOM 992 O ALA A 106 26.347 -9.058 106.168 1.00 18.22 O ATOM 993 CB ALA A 106 28.869 -10.437 105.275 1.00 18.01 C ATOM 994 H ALA A 106 30.493 -8.479 104.927 1.00 0.00 H ATOM 995 N ILE A 107 27.871 -7.519 106.771 1.00 14.60 N ATOM 996 CA ILE A 107 27.050 -7.007 107.866 1.00 14.64 C ATOM 997 C ILE A 107 25.750 -6.414 107.318 1.00 14.62 C ATOM 998 O ILE A 107 25.755 -5.666 106.327 1.00 16.80 O ATOM 999 CB ILE A 107 27.821 -5.961 108.697 1.00 12.67 C ATOM 1000 CG1 ILE A 107 28.979 -6.633 109.433 1.00 14.25 C ATOM 1001 CG2 ILE A 107 26.914 -5.240 109.685 1.00 14.20 C ATOM 1002 CD1 ILE A 107 29.825 -5.656 110.236 1.00 14.88 C ATOM 1003 H ILE A 107 28.799 -7.089 106.583 1.00 0.00 H ATOM 1004 N THR A 108 24.635 -6.764 107.960 1.00 14.18 N ATOM 1005 CA THR A 108 23.312 -6.374 107.477 1.00 14.74 C ATOM 1006 C THR A 108 22.798 -5.130 108.178 1.00 14.34 C ATOM 1007 O THR A 108 23.318 -4.735 109.233 1.00 14.94 O ATOM 1008 CB THR A 108 22.282 -7.486 107.719 1.00 14.93 C ATOM 1009 OG1 THR A 108 22.091 -7.663 109.132 1.00 17.57 O ATOM 1010 CG2 THR A 108 22.734 -8.801 107.092 1.00 16.47 C ATOM 1011 HG1 THR A 108 21.427 -8.380 109.287 1.00 0.00 H ATOM 1012 H THR A 108 24.709 -7.331 108.829 1.00 0.00 H ATOM 1013 N ILE A 109 21.768 -4.520 107.596 1.00 15.74 N ATOM 1014 CA ILE A 109 21.133 -3.350 108.204 1.00 15.87 C ATOM 1015 C ILE A 109 20.585 -3.706 109.589 1.00 15.88 C ATOM 1016 O ILE A 109 20.718 -2.926 110.525 1.00 15.70 O ATOM 1017 CB ILE A 109 20.037 -2.749 107.279 1.00 16.85 C ATOM 1018 CG1 ILE A 109 20.691 -2.077 106.059 1.00 17.91 C ATOM 1019 CG2 ILE A 109 19.162 -1.755 108.037 1.00 20.38 C ATOM 1020 CD1 ILE A 109 19.713 -1.554 105.021 1.00 20.13 C ATOM 1021 H ILE A 109 21.407 -4.882 106.690 1.00 0.00 H ATOM 1022 N LYS A 110 20.022 -4.905 109.729 1.00 15.67 N ATOM 1023 CA LYS A 110 19.539 -5.363 111.033 1.00 17.17 C ATOM 1024 C LYS A 110 20.676 -5.458 112.052 1.00 15.99 C ATOM 1025 O LYS A 110 20.527 -5.035 113.200 1.00 15.80 O ATOM 1026 CB LYS A 110 18.820 -6.711 110.914 1.00 20.63 C ATOM 1027 CG LYS A 110 18.306 -7.260 112.244 1.00 24.60 C ATOM 1028 CD LYS A 110 17.304 -8.388 112.046 1.00 28.74 C ATOM 1029 CE LYS A 110 17.929 -9.596 111.388 1.00 33.96 C ATOM 1030 NZ LYS A 110 16.986 -10.760 111.409 1.00 37.56 N ATOM 1031 HZ1 LYS A 110 16.752 -10.997 112.394 1.00 0.00 H ATOM 1032 HZ2 LYS A 110 16.117 -10.510 110.896 1.00 0.00 H ATOM 1033 HZ3 LYS A 110 17.437 -11.578 110.952 1.00 0.00 H ATOM 1034 H LYS A 110 19.924 -5.525 108.900 1.00 0.00 H ATOM 1035 N GLN A 111 21.817 -6.000 111.631 1.00 14.76 N ATOM 1036 CA GLN A 111 22.964 -6.102 112.529 1.00 13.44 C ATOM 1037 C GLN A 111 23.475 -4.720 112.932 1.00 12.30 C ATOM 1038 O GLN A 111 23.869 -4.501 114.082 1.00 13.96 O ATOM 1039 CB GLN A 111 24.073 -6.944 111.898 1.00 13.57 C ATOM 1040 CG GLN A 111 23.759 -8.438 111.966 1.00 15.30 C ATOM 1041 CD GLN A 111 24.649 -9.280 111.088 1.00 21.31 C ATOM 1042 OE1 GLN A 111 25.280 -8.787 110.156 1.00 19.88 O ATOM 1043 NE2 GLN A 111 24.705 -10.572 111.386 1.00 26.69 N ATOM 1044 HE22 GLN A 111 24.153 -10.946 112.184 1.00 0.00 H ATOM 1045 HE21 GLN A 111 25.300 -11.211 110.821 1.00 0.00 H ATOM 1046 H GLN A 111 21.892 -6.353 110.656 1.00 0.00 H ATOM 1047 N ILE A 112 23.453 -3.778 111.993 1.00 12.54 N ATOM 1048 CA ILE A 112 23.868 -2.421 112.301 1.00 12.54 C ATOM 1049 C ILE A 112 22.941 -1.776 113.333 1.00 13.00 C ATOM 1050 O ILE A 112 23.399 -1.230 114.335 1.00 13.07 O ATOM 1051 CB ILE A 112 23.883 -1.550 111.030 1.00 12.43 C ATOM 1052 CG1 ILE A 112 25.000 -2.001 110.086 1.00 14.97 C ATOM 1053 CG2 ILE A 112 24.063 -0.073 111.393 1.00 14.71 C ATOM 1054 CD1 ILE A 112 24.914 -1.375 108.714 1.00 16.03 C ATOM 1055 H ILE A 112 23.136 -4.015 111.031 1.00 0.00 H ATOM 1056 N LEU A 113 21.633 -1.846 113.100 1.00 12.14 N ATOM 1057 CA LEU A 113 20.688 -1.195 114.003 1.00 13.17 C ATOM 1058 C LEU A 113 20.683 -1.855 115.385 1.00 12.40 C ATOM 1059 O LEU A 113 20.583 -1.160 116.403 1.00 14.60 O ATOM 1060 CB LEU A 113 19.288 -1.161 113.389 1.00 13.69 C ATOM 1061 CG LEU A 113 19.190 -0.224 112.186 1.00 14.05 C ATOM 1062 CD1 LEU A 113 17.822 -0.322 111.521 1.00 17.06 C ATOM 1063 CD2 LEU A 113 19.491 1.217 112.576 1.00 13.87 C ATOM 1064 H LEU A 113 21.282 -2.367 112.271 1.00 0.00 H ATOM 1065 N LEU A 114 20.814 -3.183 115.435 1.00 13.79 N ATOM 1066 CA LEU A 114 20.931 -3.858 116.732 1.00 15.30 C ATOM 1067 C LEU A 114 22.248 -3.516 117.430 1.00 14.86 C ATOM 1068 O LEU A 114 22.294 -3.369 118.658 1.00 15.64 O ATOM 1069 CB LEU A 114 20.780 -5.372 116.597 1.00 16.81 C ATOM 1070 CG LEU A 114 19.368 -5.889 116.328 1.00 18.92 C ATOM 1071 CD1 LEU A 114 19.408 -7.324 115.858 1.00 20.54 C ATOM 1072 CD2 LEU A 114 18.522 -5.789 117.581 1.00 20.17 C ATOM 1073 H LEU A 114 20.833 -3.738 114.556 1.00 0.00 H ATOM 1074 N GLY A 115 23.317 -3.373 116.648 1.00 13.14 N ATOM 1075 CA GLY A 115 24.598 -2.952 117.196 1.00 14.14 C ATOM 1076 C GLY A 115 24.559 -1.557 117.788 1.00 12.02 C ATOM 1077 O GLY A 115 25.140 -1.302 118.849 1.00 14.29 O ATOM 1078 H GLY A 115 23.235 -3.565 115.629 1.00 0.00 H ATOM 1079 N ILE A 116 23.871 -0.641 117.112 1.00 12.05 N ATOM 1080 CA ILE A 116 23.734 0.709 117.642 1.00 11.88 C ATOM 1081 C ILE A 116 22.847 0.711 118.889 1.00 12.57 C ATOM 1082 O ILE A 116 23.143 1.409 119.859 1.00 14.69 O ATOM 1083 CB ILE A 116 23.192 1.683 116.581 1.00 12.60 C ATOM 1084 CG1 ILE A 116 24.192 1.827 115.436 1.00 13.13 C ATOM 1085 CG2 ILE A 116 22.926 3.054 117.196 1.00 13.51 C ATOM 1086 CD1 ILE A 116 23.613 2.572 114.249 1.00 13.02 C ATOM 1087 H ILE A 116 23.430 -0.889 116.203 1.00 0.00 H ATOM 1088 N GLN A 117 21.775 -0.081 118.881 1.00 13.05 N ATOM 1089 CA GLN A 117 20.936 -0.186 120.077 1.00 14.22 C ATOM 1090 C GLN A 117 21.744 -0.671 121.282 1.00 15.04 C ATOM 1091 O GLN A 117 21.607 -0.149 122.392 1.00 16.70 O ATOM 1092 CB GLN A 117 19.747 -1.118 119.851 1.00 14.48 C ATOM 1093 CG GLN A 117 18.740 -1.054 121.005 1.00 15.30 C ATOM 1094 CD GLN A 117 17.764 -2.209 121.010 1.00 17.13 C ATOM 1095 OE1 GLN A 117 18.140 -3.367 120.763 1.00 19.09 O ATOM 1096 NE2 GLN A 117 16.498 -1.907 121.297 1.00 17.56 N ATOM 1097 HE22 GLN A 117 16.231 -0.922 121.497 1.00 0.00 H ATOM 1098 HE21 GLN A 117 15.777 -2.656 121.321 1.00 0.00 H ATOM 1099 H GLN A 117 21.535 -0.624 118.027 1.00 0.00 H ATOM 1100 N GLU A 118 22.578 -1.683 121.062 1.00 14.71 N ATOM 1101 CA GLU A 118 23.456 -2.182 122.110 1.00 16.54 C ATOM 1102 C GLU A 118 24.413 -1.101 122.595 1.00 14.95 C ATOM 1103 O GLU A 118 24.652 -0.967 123.802 1.00 16.75 O ATOM 1104 CB GLU A 118 24.219 -3.403 121.595 1.00 19.09 C ATOM 1105 CG GLU A 118 25.294 -3.961 122.509 1.00 26.31 C ATOM 1106 CD GLU A 118 26.016 -5.141 121.864 1.00 33.23 C ATOM 1107 OE1 GLU A 118 26.686 -4.944 120.820 1.00 36.73 O ATOM 1108 OE2 GLU A 118 25.898 -6.269 122.389 1.00 37.75 O ATOM 1109 H GLU A 118 22.603 -2.127 120.122 1.00 0.00 H ATOM 1110 N LEU A 119 24.949 -0.321 121.661 1.00 14.66 N ATOM 1111 CA LEU A 119 25.871 0.752 122.003 1.00 14.04 C ATOM 1112 C LEU A 119 25.203 1.779 122.916 1.00 14.38 C ATOM 1113 O LEU A 119 25.819 2.286 123.863 1.00 14.24 O ATOM 1114 CB LEU A 119 26.368 1.438 120.730 1.00 14.14 C ATOM 1115 CG LEU A 119 27.244 2.675 120.938 1.00 14.12 C ATOM 1116 CD1 LEU A 119 28.552 2.308 121.642 1.00 15.91 C ATOM 1117 CD2 LEU A 119 27.504 3.383 119.612 1.00 14.38 C ATOM 1118 H LEU A 119 24.704 -0.481 120.663 1.00 0.00 H ATOM 1119 N LEU A 120 23.939 2.084 122.634 1.00 14.98 N ATOM 1120 CA LEU A 120 23.230 3.103 123.400 1.00 17.01 C ATOM 1121 C LEU A 120 23.302 2.817 124.892 1.00 16.47 C ATOM 1122 O LEU A 120 23.581 3.713 125.692 1.00 19.02 O ATOM 1123 CB LEU A 120 21.768 3.212 122.958 1.00 18.52 C ATOM 1124 CG LEU A 120 21.496 3.887 121.614 1.00 20.44 C ATOM 1125 CD1 LEU A 120 19.996 3.916 121.334 1.00 22.09 C ATOM 1126 CD2 LEU A 120 22.078 5.292 121.583 1.00 21.50 C ATOM 1127 H LEU A 120 23.451 1.591 121.859 1.00 0.00 H ATOM 1128 N ASN A 121 23.091 1.562 125.268 1.00 19.17 N ATOM 1129 CA ASN A 121 23.050 1.203 126.675 1.00 21.78 C ATOM 1130 C ASN A 121 24.405 0.768 127.242 1.00 19.00 C ATOM 1131 O ASN A 121 24.556 0.573 128.442 1.00 21.98 O ATOM 1132 CB ASN A 121 21.989 0.131 126.913 1.00 27.53 C ATOM 1133 CG ASN A 121 21.728 -0.102 128.373 1.00 31.74 C ATOM 1134 OD1 ASN A 121 21.627 0.844 129.162 1.00 31.41 O ATOM 1135 ND2 ASN A 121 21.645 -1.365 128.756 1.00 33.43 N ATOM 1136 HD22 ASN A 121 21.736 -2.128 128.055 1.00 0.00 H ATOM 1137 HD21 ASN A 121 21.488 -1.595 129.758 1.00 0.00 H ATOM 1138 H ASN A 121 22.953 0.826 124.546 1.00 0.00 H ATOM 1139 N GLU A 122 25.397 0.629 126.375 1.00 18.52 N ATOM 1140 CA GLU A 122 26.730 0.260 126.831 1.00 20.50 C ATOM 1141 C GLU A 122 27.805 1.032 126.083 1.00 17.63 C ATOM 1142 O GLU A 122 28.342 0.575 125.061 1.00 19.01 O ATOM 1143 CB GLU A 122 26.964 -1.251 126.740 1.00 24.70 C ATOM 1144 CG GLU A 122 28.320 -1.716 127.289 1.00 28.82 C ATOM 1145 CD GLU A 122 28.528 -1.436 128.783 1.00 32.82 C ATOM 1146 OE1 GLU A 122 27.559 -1.081 129.492 1.00 32.93 O ATOM 1147 OE2 GLU A 122 29.681 -1.579 129.252 1.00 35.59 O ATOM 1148 H GLU A 122 25.223 0.784 125.362 1.00 0.00 H ATOM 1149 N PRO A 123 28.108 2.235 126.578 1.00 16.41 N ATOM 1150 CA PRO A 123 29.141 3.046 125.935 1.00 17.57 C ATOM 1151 C PRO A 123 30.525 2.390 125.950 1.00 18.14 C ATOM 1152 O PRO A 123 30.843 1.564 126.821 1.00 21.41 O ATOM 1153 CB PRO A 123 29.155 4.324 126.782 1.00 18.37 C ATOM 1154 CG PRO A 123 27.777 4.400 127.374 1.00 18.76 C ATOM 1155 CD PRO A 123 27.438 2.957 127.677 1.00 18.00 C ATOM 1156 N ASN A 124 31.334 2.771 124.968 1.00 18.75 N ATOM 1157 CA ASN A 124 32.719 2.336 124.892 1.00 18.85 C ATOM 1158 C ASN A 124 33.614 3.482 125.349 1.00 20.64 C ATOM 1159 O ASN A 124 33.854 4.430 124.602 1.00 20.99 O ATOM 1160 CB ASN A 124 33.067 1.901 123.459 1.00 18.25 C ATOM 1161 CG ASN A 124 32.265 0.688 123.004 1.00 18.73 C ATOM 1162 OD1 ASN A 124 32.216 -0.332 123.694 1.00 21.06 O ATOM 1163 ND2 ASN A 124 31.622 0.799 121.847 1.00 19.13 N ATOM 1164 HD22 ASN A 124 31.691 1.678 121.296 1.00 0.00 H ATOM 1165 HD21 ASN A 124 31.050 0.006 121.492 1.00 0.00 H ATOM 1166 H ASN A 124 30.964 3.402 124.228 1.00 0.00 H ATOM 1167 N ILE A 125 34.092 3.402 126.584 1.00 25.50 N ATOM 1168 CA ILE A 125 34.845 4.514 127.155 1.00 32.47 C ATOM 1169 C ILE A 125 36.227 4.729 126.534 1.00 35.26 C ATOM 1170 O ILE A 125 36.872 5.746 126.778 1.00 35.21 O ATOM 1171 CB ILE A 125 34.926 4.441 128.702 1.00 37.88 C ATOM 1172 CG1 ILE A 125 35.088 2.995 129.172 1.00 40.66 C ATOM 1173 CG2 ILE A 125 33.675 5.040 129.322 1.00 38.92 C ATOM 1174 CD1 ILE A 125 36.392 2.348 128.750 1.00 42.59 C ATOM 1175 H ILE A 125 33.929 2.543 127.148 1.00 0.00 H ATOM 1176 N GLN A 126 36.681 3.785 125.721 1.00 36.99 N ATOM 1177 CA GLN A 126 37.973 3.963 125.074 1.00 42.84 C ATOM 1178 C GLN A 126 37.908 4.663 123.708 1.00 42.08 C ATOM 1179 O GLN A 126 38.947 4.954 123.109 1.00 43.47 O ATOM 1180 CB GLN A 126 38.756 2.648 125.020 1.00 49.01 C ATOM 1181 CG GLN A 126 39.678 2.454 126.225 1.00 54.34 C ATOM 1182 CD GLN A 126 40.755 3.529 126.315 1.00 59.13 C ATOM 1183 OE1 GLN A 126 41.783 3.451 125.639 1.00 61.24 O ATOM 1184 NE2 GLN A 126 40.520 4.539 127.150 1.00 60.28 N ATOM 1185 HE22 GLN A 126 39.638 4.564 127.701 1.00 0.00 H ATOM 1186 HE21 GLN A 126 41.218 5.303 127.251 1.00 0.00 H ATOM 1187 H GLN A 126 36.120 2.927 125.547 1.00 0.00 H ATOM 1188 N ASP A 127 36.703 4.946 123.215 1.00 39.54 N ATOM 1189 CA ASP A 127 36.581 5.842 122.058 1.00 39.80 C ATOM 1190 C ASP A 127 35.515 6.941 122.227 1.00 32.55 C ATOM 1191 O ASP A 127 34.458 6.907 121.598 1.00 32.23 O ATOM 1192 CB ASP A 127 36.469 5.078 120.713 1.00 46.44 C ATOM 1193 CG ASP A 127 35.171 4.288 120.564 1.00 51.44 C ATOM 1194 OD1 ASP A 127 34.207 4.820 119.975 1.00 52.94 O ATOM 1195 OD2 ASP A 127 35.122 3.119 121.001 1.00 55.03 O ATOM 1196 H ASP A 127 35.852 4.534 123.648 1.00 0.00 H ATOM 1197 N PRO A 128 35.802 7.935 123.087 1.00 26.52 N ATOM 1198 CA PRO A 128 34.864 9.041 123.302 1.00 21.85 C ATOM 1199 C PRO A 128 34.665 9.867 122.038 1.00 19.26 C ATOM 1200 O PRO A 128 35.637 10.188 121.337 1.00 21.13 O ATOM 1201 CB PRO A 128 35.555 9.885 124.384 1.00 25.12 C ATOM 1202 CG PRO A 128 36.989 9.546 124.280 1.00 28.97 C ATOM 1203 CD PRO A 128 37.040 8.105 123.864 1.00 28.58 C ATOM 1204 N ALA A 129 33.410 10.189 121.748 1.00 16.92 N ATOM 1205 CA ALA A 129 33.069 11.020 120.594 1.00 15.47 C ATOM 1206 C ALA A 129 32.549 12.387 121.015 1.00 17.01 C ATOM 1207 O ALA A 129 32.579 13.347 120.233 1.00 20.65 O ATOM 1208 CB ALA A 129 32.047 10.310 119.715 1.00 15.38 C ATOM 1209 H ALA A 129 32.646 9.839 122.361 1.00 0.00 H ATOM 1210 N GLN A 130 32.041 12.482 122.240 1.00 16.67 N ATOM 1211 CA GLN A 130 31.603 13.780 122.717 1.00 19.33 C ATOM 1212 C GLN A 130 32.010 14.006 124.153 1.00 20.63 C ATOM 1213 O GLN A 130 31.841 13.140 125.007 1.00 24.01 O ATOM 1214 CB GLN A 130 30.102 13.984 122.523 1.00 23.16 C ATOM 1215 CG GLN A 130 29.220 13.129 123.375 1.00 22.57 C ATOM 1216 CD GLN A 130 27.803 13.694 123.478 1.00 23.23 C ATOM 1217 OE1 GLN A 130 27.446 14.338 124.471 1.00 27.04 O ATOM 1218 NE2 GLN A 130 26.990 13.453 122.447 1.00 19.34 N ATOM 1219 HE22 GLN A 130 27.333 12.906 121.631 1.00 0.00 H ATOM 1220 HE21 GLN A 130 26.014 13.812 122.459 1.00 0.00 H ATOM 1221 H GLN A 130 31.959 11.640 122.846 1.00 0.00 H ATOM 1222 N ALA A 131 32.539 15.189 124.411 1.00 19.97 N ATOM 1223 CA ALA A 131 33.145 15.485 125.695 1.00 20.04 C ATOM 1224 C ALA A 131 32.171 15.395 126.866 1.00 20.69 C ATOM 1225 O ALA A 131 32.498 14.808 127.902 1.00 21.28 O ATOM 1226 CB ALA A 131 33.783 16.853 125.650 1.00 21.68 C ATOM 1227 H ALA A 131 32.520 15.925 123.676 1.00 0.00 H ATOM 1228 N GLU A 132 30.986 15.979 126.707 1.00 22.35 N ATOM 1229 CA GLU A 132 30.077 16.131 127.840 1.00 24.19 C ATOM 1230 C GLU A 132 29.529 14.806 128.352 1.00 21.61 C ATOM 1231 O GLU A 132 29.635 14.511 129.544 1.00 22.04 O ATOM 1232 CB GLU A 132 28.928 17.090 127.517 1.00 30.93 C ATOM 1233 CG GLU A 132 28.347 17.748 128.766 1.00 37.44 C ATOM 1234 CD GLU A 132 26.849 17.985 128.683 1.00 43.47 C ATOM 1235 OE1 GLU A 132 26.238 17.607 127.658 1.00 44.78 O ATOM 1236 OE2 GLU A 132 26.284 18.541 129.653 1.00 45.82 O ATOM 1237 H GLU A 132 30.705 16.330 125.769 1.00 0.00 H ATOM 1238 N ALA A 133 28.942 14.002 127.469 1.00 19.31 N ATOM 1239 CA ALA A 133 28.363 12.738 127.914 1.00 16.92 C ATOM 1240 C ALA A 133 29.435 11.803 128.460 1.00 17.74 C ATOM 1241 O ALA A 133 29.216 11.073 129.430 1.00 18.14 O ATOM 1242 CB ALA A 133 27.594 12.065 126.782 1.00 16.82 C ATOM 1243 H ALA A 133 28.896 14.273 126.466 1.00 0.00 H ATOM 1244 N TYR A 134 30.599 11.818 127.830 1.00 16.97 N ATOM 1245 CA TYR A 134 31.709 10.989 128.284 1.00 19.78 C ATOM 1246 C TYR A 134 32.162 11.406 129.681 1.00 19.39 C ATOM 1247 O TYR A 134 32.331 10.565 130.563 1.00 20.68 O ATOM 1248 CB TYR A 134 32.866 11.058 127.282 1.00 22.45 C ATOM 1249 CG TYR A 134 34.213 10.623 127.818 1.00 25.80 C ATOM 1250 CD1 TYR A 134 34.510 9.278 128.017 1.00 26.59 C ATOM 1251 CD2 TYR A 134 35.201 11.561 128.097 1.00 28.07 C ATOM 1252 CE1 TYR A 134 35.748 8.882 128.487 1.00 28.48 C ATOM 1253 CE2 TYR A 134 36.441 11.175 128.569 1.00 29.84 C ATOM 1254 CZ TYR A 134 36.708 9.834 128.763 1.00 30.37 C ATOM 1255 OH TYR A 134 37.939 9.443 129.233 1.00 32.10 O ATOM 1256 HH TYR A 134 37.962 8.457 129.314 1.00 0.00 H ATOM 1257 H TYR A 134 30.724 12.430 126.999 1.00 0.00 H ATOM 1258 N THR A 135 32.351 12.706 129.882 1.00 18.14 N ATOM 1259 CA THR A 135 32.803 13.209 131.176 1.00 20.01 C ATOM 1260 C THR A 135 31.811 12.865 132.289 1.00 20.18 C ATOM 1261 O THR A 135 32.207 12.441 133.378 1.00 21.30 O ATOM 1262 CB THR A 135 33.071 14.727 131.144 1.00 22.68 C ATOM 1263 OG1 THR A 135 34.113 15.006 130.193 1.00 26.16 O ATOM 1264 CG2 THR A 135 33.497 15.224 132.518 1.00 25.10 C ATOM 1265 HG1 THR A 135 33.829 14.700 129.295 1.00 0.00 H ATOM 1266 H THR A 135 32.174 13.375 129.106 1.00 0.00 H ATOM 1267 N ILE A 136 30.520 13.027 132.013 1.00 18.29 N ATOM 1268 CA ILE A 136 29.507 12.696 133.018 1.00 18.51 C ATOM 1269 C ILE A 136 29.467 11.185 133.274 1.00 20.29 C ATOM 1270 O ILE A 136 29.362 10.753 134.415 1.00 21.29 O ATOM 1271 CB ILE A 136 28.116 13.243 132.635 1.00 18.02 C ATOM 1272 CG1 ILE A 136 28.174 14.766 132.514 1.00 18.26 C ATOM 1273 CG2 ILE A 136 27.074 12.860 133.676 1.00 19.05 C ATOM 1274 CD1 ILE A 136 26.912 15.384 131.988 1.00 19.56 C ATOM 1275 H ILE A 136 30.229 13.389 131.082 1.00 0.00 H ATOM 1276 N TYR A 137 29.573 10.383 132.220 1.00 19.44 N ATOM 1277 CA TYR A 137 29.570 8.932 132.375 1.00 19.71 C ATOM 1278 C TYR A 137 30.700 8.487 133.293 1.00 22.77 C ATOM 1279 O TYR A 137 30.519 7.592 134.121 1.00 25.04 O ATOM 1280 CB TYR A 137 29.714 8.250 131.010 1.00 20.03 C ATOM 1281 CG TYR A 137 29.523 6.749 131.029 1.00 21.43 C ATOM 1282 CD1 TYR A 137 28.249 6.192 131.073 1.00 22.18 C ATOM 1283 CD2 TYR A 137 30.611 5.890 130.982 1.00 24.64 C ATOM 1284 CE1 TYR A 137 28.065 4.821 131.074 1.00 23.87 C ATOM 1285 CE2 TYR A 137 30.438 4.512 130.983 1.00 25.54 C ATOM 1286 CZ TYR A 137 29.165 3.983 131.030 1.00 24.85 C ATOM 1287 OH TYR A 137 28.995 2.613 131.034 1.00 27.64 O ATOM 1288 HH TYR A 137 29.387 2.231 130.209 1.00 0.00 H ATOM 1289 H TYR A 137 29.659 10.796 131.269 1.00 0.00 H ATOM 1290 N CYS A 138 31.861 9.125 133.163 1.00 24.26 N ATOM 1291 CA CYS A 138 33.019 8.759 133.977 1.00 27.38 C ATOM 1292 C CYS A 138 32.922 9.263 135.407 1.00 26.77 C ATOM 1293 O CYS A 138 33.403 8.604 136.334 1.00 29.89 O ATOM 1294 CB CYS A 138 34.307 9.293 133.356 1.00 31.65 C ATOM 1295 SG CYS A 138 34.776 8.497 131.814 1.00 37.27 S ATOM 1296 H CYS A 138 31.946 9.897 132.471 1.00 0.00 H ATOM 1297 N GLN A 139 32.310 10.430 135.591 1.00 24.83 N ATOM 1298 CA GLN A 139 32.340 11.100 136.893 1.00 25.02 C ATOM 1299 C GLN A 139 31.151 10.811 137.815 1.00 24.29 C ATOM 1300 O GLN A 139 31.277 10.904 139.041 1.00 26.19 O ATOM 1301 CB GLN A 139 32.445 12.617 136.705 1.00 27.45 C ATOM 1302 CG GLN A 139 33.752 13.106 136.098 1.00 29.97 C ATOM 1303 CD GLN A 139 33.753 14.611 135.901 1.00 33.29 C ATOM 1304 OE1 GLN A 139 32.717 15.262 136.029 1.00 35.92 O ATOM 1305 NE2 GLN A 139 34.913 15.170 135.586 1.00 36.09 N ATOM 1306 HE22 GLN A 139 35.764 14.581 135.488 1.00 0.00 H ATOM 1307 HE21 GLN A 139 34.972 16.198 135.437 1.00 0.00 H ATOM 1308 H GLN A 139 31.803 10.873 134.798 1.00 0.00 H ATOM 1309 N ASN A 140 29.995 10.493 137.235 1.00 22.63 N ATOM 1310 CA ASN A 140 28.774 10.315 138.024 1.00 21.03 C ATOM 1311 C ASN A 140 27.736 9.529 137.228 1.00 22.46 C ATOM 1312 O ASN A 140 26.960 10.104 136.451 1.00 21.84 O ATOM 1313 CB ASN A 140 28.214 11.684 138.444 1.00 22.05 C ATOM 1314 CG ASN A 140 27.061 11.580 139.425 1.00 23.73 C ATOM 1315 OD1 ASN A 140 26.348 10.576 139.479 1.00 25.79 O ATOM 1316 ND2 ASN A 140 26.861 12.637 140.200 1.00 22.80 N ATOM 1317 HD22 ASN A 140 27.486 13.464 140.122 1.00 0.00 H ATOM 1318 HD21 ASN A 140 26.079 12.639 140.885 1.00 0.00 H ATOM 1319 H ASN A 140 29.959 10.369 136.203 1.00 0.00 H ATOM 1320 N ARG A 141 27.725 8.213 137.426 1.00 23.25 N ATOM 1321 CA ARG A 141 26.830 7.341 136.680 1.00 25.45 C ATOM 1322 C ARG A 141 25.351 7.622 136.960 1.00 25.09 C ATOM 1323 O ARG A 141 24.521 7.479 136.063 1.00 25.49 O ATOM 1324 CB ARG A 141 27.170 5.875 136.952 1.00 27.88 C ATOM 1325 CG ARG A 141 26.708 4.913 135.871 1.00 33.61 C ATOM 1326 CD ARG A 141 27.341 5.227 134.513 1.00 37.40 C ATOM 1327 NE ARG A 141 28.798 5.088 134.509 1.00 39.95 N ATOM 1328 CZ ARG A 141 29.437 3.930 134.372 1.00 44.93 C ATOM 1329 NH1 ARG A 141 28.747 2.802 134.228 1.00 45.28 N ATOM 1330 NH2 ARG A 141 30.765 3.893 134.382 1.00 46.76 N ATOM 1331 HE ARG A 141 29.370 5.950 134.620 1.00 0.00 H ATOM 1332 HH12 ARG A 141 29.247 1.897 134.121 1.00 0.00 H ATOM 1333 HH11 ARG A 141 27.707 2.826 134.223 1.00 0.00 H ATOM 1334 HH22 ARG A 141 31.261 2.985 134.275 1.00 0.00 H ATOM 1335 HH21 ARG A 141 31.309 4.772 134.497 1.00 0.00 H ATOM 1336 H ARG A 141 28.370 7.799 138.129 1.00 0.00 H ATOM 1337 N VAL A 142 25.025 8.028 138.188 1.00 26.27 N ATOM 1338 CA VAL A 142 23.643 8.379 138.532 1.00 27.89 C ATOM 1339 C VAL A 142 23.180 9.594 137.728 1.00 25.55 C ATOM 1340 O VAL A 142 22.077 9.600 137.171 1.00 26.30 O ATOM 1341 CB VAL A 142 23.460 8.646 140.048 1.00 32.26 C ATOM 1342 CG1 VAL A 142 22.174 9.428 140.318 1.00 32.81 C ATOM 1343 CG2 VAL A 142 23.452 7.338 140.832 1.00 32.95 C ATOM 1344 H VAL A 142 25.765 8.097 138.916 1.00 0.00 H ATOM 1345 N GLU A 143 24.027 10.619 137.666 1.00 23.76 N ATOM 1346 CA GLU A 143 23.717 11.801 136.867 1.00 21.72 C ATOM 1347 C GLU A 143 23.612 11.442 135.392 1.00 19.85 C ATOM 1348 O GLU A 143 22.719 11.916 134.691 1.00 20.01 O ATOM 1349 CB GLU A 143 24.757 12.907 137.084 1.00 21.56 C ATOM 1350 CG GLU A 143 24.535 14.171 136.237 1.00 22.81 C ATOM 1351 CD GLU A 143 23.323 14.977 136.682 1.00 26.76 C ATOM 1352 OE1 GLU A 143 22.923 15.910 135.946 1.00 28.25 O ATOM 1353 OE2 GLU A 143 22.779 14.682 137.770 1.00 27.61 O ATOM 1354 H GLU A 143 24.922 10.577 138.194 1.00 0.00 H ATOM 1355 N TYR A 144 24.520 10.594 134.924 1.00 19.29 N ATOM 1356 CA TYR A 144 24.475 10.152 133.546 1.00 18.87 C ATOM 1357 C TYR A 144 23.128 9.523 133.205 1.00 20.46 C ATOM 1358 O TYR A 144 22.509 9.877 132.194 1.00 19.71 O ATOM 1359 CB TYR A 144 25.603 9.161 133.271 1.00 18.99 C ATOM 1360 CG TYR A 144 25.538 8.599 131.875 1.00 17.41 C ATOM 1361 CD1 TYR A 144 26.025 9.321 130.794 1.00 17.72 C ATOM 1362 CD2 TYR A 144 24.968 7.354 131.635 1.00 17.98 C ATOM 1363 CE1 TYR A 144 25.956 8.810 129.506 1.00 17.48 C ATOM 1364 CE2 TYR A 144 24.893 6.835 130.352 1.00 17.06 C ATOM 1365 CZ TYR A 144 25.388 7.570 129.294 1.00 16.34 C ATOM 1366 OH TYR A 144 25.309 7.064 128.022 1.00 16.91 O ATOM 1367 HH TYR A 144 25.805 6.208 127.977 1.00 0.00 H ATOM 1368 H TYR A 144 25.271 10.244 135.553 1.00 0.00 H ATOM 1369 N GLU A 145 22.659 8.602 134.040 1.00 22.35 N ATOM 1370 CA GLU A 145 21.417 7.896 133.745 1.00 23.76 C ATOM 1371 C GLU A 145 20.207 8.814 133.872 1.00 23.24 C ATOM 1372 O GLU A 145 19.202 8.639 133.180 1.00 23.30 O ATOM 1373 CB GLU A 145 21.273 6.657 134.630 1.00 27.68 C ATOM 1374 CG GLU A 145 22.368 5.627 134.382 1.00 31.34 C ATOM 1375 CD GLU A 145 21.996 4.252 134.885 1.00 34.43 C ATOM 1376 OE1 GLU A 145 21.093 4.159 135.746 1.00 36.79 O ATOM 1377 OE2 GLU A 145 22.602 3.266 134.413 1.00 35.08 O ATOM 1378 H GLU A 145 23.182 8.382 134.912 1.00 0.00 H ATOM 1379 N LYS A 146 20.311 9.795 134.755 1.00 22.01 N ATOM 1380 CA LYS A 146 19.249 10.779 134.905 1.00 22.25 C ATOM 1381 C LYS A 146 19.090 11.552 133.588 1.00 22.29 C ATOM 1382 O LYS A 146 17.969 11.769 133.116 1.00 23.62 O ATOM 1383 CB LYS A 146 19.571 11.717 136.062 1.00 24.95 C ATOM 1384 CG LYS A 146 18.583 12.841 136.253 1.00 29.57 C ATOM 1385 CD LYS A 146 19.010 13.697 137.433 1.00 32.05 C ATOM 1386 CE LYS A 146 18.393 15.075 137.389 1.00 33.58 C ATOM 1387 NZ LYS A 146 18.945 15.953 138.465 1.00 33.25 N ATOM 1388 HZ1 LYS A 146 18.744 15.530 139.393 1.00 0.00 H ATOM 1389 HZ2 LYS A 146 19.973 16.047 138.341 1.00 0.00 H ATOM 1390 HZ3 LYS A 146 18.501 16.892 138.407 1.00 0.00 H ATOM 1391 H LYS A 146 21.162 9.863 135.349 1.00 0.00 H ATOM 1392 N ARG A 147 20.218 11.936 132.987 1.00 21.13 N ATOM 1393 CA ARG A 147 20.214 12.646 131.713 1.00 20.54 C ATOM 1394 C ARG A 147 19.651 11.754 130.611 1.00 18.51 C ATOM 1395 O ARG A 147 18.887 12.216 129.749 1.00 19.29 O ATOM 1396 CB ARG A 147 21.633 13.097 131.350 1.00 21.12 C ATOM 1397 CG ARG A 147 22.191 14.212 132.238 1.00 25.05 C ATOM 1398 CD ARG A 147 21.615 15.569 131.852 1.00 28.99 C ATOM 1399 NE ARG A 147 21.925 15.940 130.470 1.00 30.62 N ATOM 1400 CZ ARG A 147 23.002 16.632 130.096 1.00 32.09 C ATOM 1401 NH1 ARG A 147 23.891 17.033 130.999 1.00 32.55 N ATOM 1402 NH2 ARG A 147 23.197 16.923 128.816 1.00 31.92 N ATOM 1403 HE ARG A 147 21.259 15.643 129.728 1.00 0.00 H ATOM 1404 HH12 ARG A 147 24.729 17.572 130.700 1.00 0.00 H ATOM 1405 HH11 ARG A 147 23.749 16.808 132.004 1.00 0.00 H ATOM 1406 HH22 ARG A 147 24.038 17.463 128.528 1.00 0.00 H ATOM 1407 HH21 ARG A 147 22.509 16.611 128.101 1.00 0.00 H ATOM 1408 H ARG A 147 21.129 11.722 133.441 1.00 0.00 H ATOM 1409 N VAL A 148 20.044 10.481 130.621 1.00 18.43 N ATOM 1410 CA VAL A 148 19.537 9.542 129.630 1.00 18.50 C ATOM 1411 C VAL A 148 18.017 9.360 129.734 1.00 18.81 C ATOM 1412 O VAL A 148 17.321 9.319 128.714 1.00 19.41 O ATOM 1413 CB VAL A 148 20.268 8.186 129.699 1.00 18.95 C ATOM 1414 CG1 VAL A 148 19.570 7.169 128.833 1.00 19.27 C ATOM 1415 CG2 VAL A 148 21.716 8.347 129.251 1.00 19.70 C ATOM 1416 H VAL A 148 20.718 10.155 131.343 1.00 0.00 H ATOM 1417 N ARG A 149 17.505 9.259 130.960 1.00 19.30 N ATOM 1418 CA ARG A 149 16.064 9.095 131.161 1.00 20.62 C ATOM 1419 C ARG A 149 15.277 10.315 130.689 1.00 20.20 C ATOM 1420 O ARG A 149 14.201 10.179 130.108 1.00 20.45 O ATOM 1421 CB ARG A 149 15.729 8.785 132.625 1.00 22.53 C ATOM 1422 CG ARG A 149 16.135 7.384 133.085 1.00 25.99 C ATOM 1423 CD ARG A 149 15.477 7.006 134.414 1.00 28.36 C ATOM 1424 NE ARG A 149 15.706 8.008 135.450 1.00 29.79 N ATOM 1425 CZ ARG A 149 16.761 8.024 136.259 1.00 30.50 C ATOM 1426 NH1 ARG A 149 17.691 7.083 136.165 1.00 31.56 N ATOM 1427 NH2 ARG A 149 16.879 8.982 137.170 1.00 31.05 N ATOM 1428 HE ARG A 149 14.996 8.760 135.563 1.00 0.00 H ATOM 1429 HH12 ARG A 149 18.514 7.100 136.800 1.00 0.00 H ATOM 1430 HH11 ARG A 149 17.597 6.328 135.456 1.00 0.00 H ATOM 1431 HH22 ARG A 149 17.703 8.998 137.804 1.00 0.00 H ATOM 1432 HH21 ARG A 149 16.148 9.717 137.249 1.00 0.00 H ATOM 1433 H ARG A 149 18.137 9.297 131.785 1.00 0.00 H ATOM 1434 N ALA A 150 15.816 11.504 130.939 1.00 20.42 N ATOM 1435 CA ALA A 150 15.178 12.735 130.492 1.00 22.53 C ATOM 1436 C ALA A 150 15.107 12.742 128.966 1.00 21.32 C ATOM 1437 O ALA A 150 14.077 13.086 128.378 1.00 24.03 O ATOM 1438 CB ALA A 150 15.939 13.940 130.999 1.00 21.43 C ATOM 1439 H ALA A 150 16.712 11.557 131.465 1.00 0.00 H ATOM 1440 N GLN A 151 16.201 12.327 128.330 1.00 19.42 N ATOM 1441 CA GLN A 151 16.263 12.244 126.878 1.00 17.94 C ATOM 1442 C GLN A 151 15.289 11.214 126.314 1.00 18.15 C ATOM 1443 O GLN A 151 14.665 11.456 125.282 1.00 19.20 O ATOM 1444 CB GLN A 151 17.695 11.941 126.445 1.00 17.82 C ATOM 1445 CG GLN A 151 17.883 11.768 124.961 1.00 18.29 C ATOM 1446 CD GLN A 151 19.349 11.711 124.599 1.00 16.69 C ATOM 1447 OE1 GLN A 151 19.896 12.663 124.047 1.00 18.23 O ATOM 1448 NE2 GLN A 151 20.008 10.615 124.958 1.00 17.08 N ATOM 1449 HE22 GLN A 151 19.503 9.834 125.423 1.00 0.00 H ATOM 1450 HE21 GLN A 151 21.029 10.538 124.774 1.00 0.00 H ATOM 1451 H GLN A 151 17.036 12.054 128.887 1.00 0.00 H ATOM 1452 N ALA A 152 15.156 10.069 126.985 1.00 19.01 N ATOM 1453 CA ALA A 152 14.231 9.041 126.512 1.00 19.47 C ATOM 1454 C ALA A 152 12.793 9.548 126.569 1.00 21.31 C ATOM 1455 O ALA A 152 11.996 9.296 125.661 1.00 21.21 O ATOM 1456 CB ALA A 152 14.381 7.764 127.319 1.00 18.68 C ATOM 1457 H ALA A 152 15.713 9.907 127.848 1.00 0.00 H ATOM 1458 N LYS A 153 12.462 10.257 127.643 1.00 22.65 N ATOM 1459 CA LYS A 153 11.133 10.830 127.795 1.00 24.07 C ATOM 1460 C LYS A 153 10.862 11.858 126.696 1.00 24.54 C ATOM 1461 O LYS A 153 9.777 11.902 126.117 1.00 26.02 O ATOM 1462 CB LYS A 153 11.000 11.463 129.180 1.00 27.15 C ATOM 1463 CG LYS A 153 9.700 12.192 129.411 1.00 33.13 C ATOM 1464 CD LYS A 153 9.521 12.488 130.883 1.00 37.75 C ATOM 1465 CE LYS A 153 8.190 13.166 131.136 1.00 42.81 C ATOM 1466 NZ LYS A 153 7.102 12.511 130.356 1.00 44.98 N ATOM 1467 HZ1 LYS A 153 7.320 12.571 129.341 1.00 0.00 H ATOM 1468 HZ2 LYS A 153 7.028 11.513 130.638 1.00 0.00 H ATOM 1469 HZ3 LYS A 153 6.201 12.994 130.547 1.00 0.00 H ATOM 1470 H LYS A 153 13.168 10.406 128.392 1.00 0.00 H ATOM 1471 N LYS A 154 11.865 12.678 126.406 1.00 23.48 N ATOM 1472 CA LYS A 154 11.753 13.680 125.353 1.00 24.70 C ATOM 1473 C LYS A 154 11.492 13.056 123.984 1.00 23.96 C ATOM 1474 O LYS A 154 10.797 13.642 123.141 1.00 26.13 O ATOM 1475 CB LYS A 154 13.008 14.552 125.300 1.00 27.09 C ATOM 1476 CG LYS A 154 13.109 15.372 124.025 1.00 29.49 C ATOM 1477 CD LYS A 154 13.843 16.682 124.218 1.00 31.33 C ATOM 1478 CE LYS A 154 15.319 16.540 123.910 1.00 32.83 C ATOM 1479 NZ LYS A 154 15.927 17.846 123.532 1.00 33.75 N ATOM 1480 HZ1 LYS A 154 15.449 18.218 122.687 1.00 0.00 H ATOM 1481 HZ2 LYS A 154 15.818 18.518 124.318 1.00 0.00 H ATOM 1482 HZ3 LYS A 154 16.938 17.710 123.328 1.00 0.00 H ATOM 1483 H LYS A 154 12.752 12.604 126.943 1.00 0.00 H ATOM 1484 N PHE A 155 12.033 11.863 123.758 1.00 21.89 N ATOM 1485 CA PHE A 155 11.842 11.191 122.475 1.00 21.19 C ATOM 1486 C PHE A 155 10.842 10.037 122.538 1.00 22.92 C ATOM 1487 O PHE A 155 10.862 9.143 121.706 1.00 24.76 O ATOM 1488 CB PHE A 155 13.189 10.756 121.876 1.00 21.55 C ATOM 1489 CG PHE A 155 14.077 11.912 121.512 1.00 22.98 C ATOM 1490 CD1 PHE A 155 13.682 12.822 120.536 1.00 24.42 C ATOM 1491 CD2 PHE A 155 15.296 12.105 122.150 1.00 24.24 C ATOM 1492 CE1 PHE A 155 14.486 13.897 120.195 1.00 26.14 C ATOM 1493 CE2 PHE A 155 16.113 13.189 121.811 1.00 24.44 C ATOM 1494 CZ PHE A 155 15.704 14.080 120.832 1.00 26.80 C ATOM 1495 H PHE A 155 12.597 11.404 124.501 1.00 0.00 H ATOM 1496 N ALA A 156 9.947 10.073 123.517 1.00 23.15 N ATOM 1497 CA ALA A 156 8.852 9.112 123.556 1.00 26.96 C ATOM 1498 C ALA A 156 7.879 9.407 122.424 1.00 31.45 C ATOM 1499 O ALA A 156 7.566 10.569 122.171 1.00 34.86 O ATOM 1500 CB ALA A 156 8.136 9.195 124.885 1.00 27.81 C ATOM 1501 H ALA A 156 10.028 10.793 124.263 1.00 0.00 H ATOM 1502 N PRO A 157 7.399 8.361 121.733 1.00 32.48 N ATOM 1503 CA PRO A 157 6.391 8.553 120.680 1.00 35.25 C ATOM 1504 C PRO A 157 5.102 9.160 121.223 1.00 36.93 C ATOM 1505 O PRO A 157 4.587 8.653 122.222 1.00 38.36 O ATOM 1506 CB PRO A 157 6.118 7.127 120.195 1.00 34.68 C ATOM 1507 CG PRO A 157 7.357 6.378 120.512 1.00 33.15 C ATOM 1508 CD PRO A 157 7.858 6.963 121.807 1.00 31.84 C TER 1509 PRO A 157 HETATM 1510 O HOH 1 34.072 7.432 113.098 1.00 43.98 O HETATM 1511 O HOH 2 31.975 5.035 113.239 1.00 34.73 O HETATM 1512 O HOH 3 21.700 1.243 135.108 1.00 50.20 O HETATM 1513 O HOH 4 11.345 -12.487 96.327 1.00 54.61 O HETATM 1514 O HOH 5 41.356 5.030 107.126 1.00 52.33 O HETATM 1515 O HOH 6 15.223 10.605 136.457 1.00 40.57 O HETATM 1516 O HOH 7 31.397 -2.497 116.978 1.00 23.33 O HETATM 1517 O HOH 8 34.845 -11.413 107.041 1.00 35.85 O HETATM 1518 O HOH 9 13.890 -4.256 125.476 1.00 40.92 O HETATM 1519 O HOH 10 24.405 6.987 94.080 1.00 45.77 O HETATM 1520 O HOH 11 30.491 1.137 129.631 1.00 39.42 O HETATM 1521 O HOH 12 20.173 -0.819 124.379 1.00 37.44 O HETATM 1522 O HOH 13 18.204 11.932 95.380 1.00 51.95 O HETATM 1523 O HOH 14 24.325 4.513 128.022 1.00 18.93 O HETATM 1524 O HOH 15 25.900 -10.833 107.988 1.00 31.09 O HETATM 1525 O HOH 16 11.520 1.064 124.769 1.00 27.92 O HETATM 1526 O HOH 17 21.365 17.460 137.328 1.00 47.78 O HETATM 1527 O HOH 18 11.410 -5.325 99.311 1.00 41.21 O HETATM 1528 O HOH 19 35.509 1.204 100.087 1.00 22.21 O HETATM 1529 O HOH 20 27.989 -10.379 109.958 1.00 64.33 O HETATM 1530 O HOH 21 33.271 -7.437 112.443 1.00 32.00 O HETATM 1531 O HOH 22 22.344 13.019 139.770 1.00 28.12 O HETATM 1532 O HOH 23 24.123 17.061 133.899 1.00 38.46 O HETATM 1533 O HOH 24 34.860 4.803 100.275 1.00 50.07 O HETATM 1534 O HOH 25 22.408 -9.785 100.282 1.00 40.03 O HETATM 1535 O HOH 26 17.264 0.347 134.084 1.00 37.94 O HETATM 1536 O HOH 27 33.026 -4.680 116.915 1.00 33.62 O HETATM 1537 O HOH 28 30.012 4.881 109.507 1.00 20.62 O HETATM 1538 O HOH 29 15.040 -13.919 113.193 1.00 51.40 O HETATM 1539 O HOH 30 33.620 11.336 140.206 1.00 35.18 O HETATM 1540 O HOH 31 8.406 -1.090 113.518 1.00 43.98 O HETATM 1541 O HOH 32 7.368 -5.812 106.416 1.00 46.36 O HETATM 1542 O HOH 33 22.069 15.086 113.270 1.00 29.86 O HETATM 1543 O HOH 34 24.493 -3.428 105.567 1.00 18.00 O HETATM 1544 O HOH 35 29.188 -1.615 123.799 1.00 30.57 O HETATM 1545 O HOH 36 10.648 2.783 122.713 1.00 32.66 O HETATM 1546 O HOH 37 24.772 -6.471 115.638 1.00 25.69 O HETATM 1547 O HOH 38 10.409 -9.067 101.997 1.00 32.69 O HETATM 1548 O HOH 39 33.479 5.735 108.329 1.00 36.03 O HETATM 1549 O HOH 40 27.398 -2.658 119.628 1.00 19.70 O HETATM 1550 O HOH 41 18.870 -7.436 94.689 1.00 33.77 O HETATM 1551 O HOH 42 10.460 -0.258 102.272 1.00 33.79 O HETATM 1552 O HOH 43 41.849 3.337 111.719 1.00 55.76 O HETATM 1553 O HOH 44 19.952 8.138 137.948 1.00 35.36 O HETATM 1554 O HOH 45 32.695 17.364 137.714 1.00 37.26 O HETATM 1555 O HOH 46 10.238 17.175 94.718 1.00 40.42 O HETATM 1556 O HOH 47 14.531 4.063 92.506 1.00 39.44 O HETATM 1557 O HOH 48 17.111 -5.865 120.896 1.00 35.59 O HETATM 1558 O HOH 49 20.889 -10.027 109.678 1.00 33.06 O HETATM 1559 O HOH 50 24.882 -10.232 104.216 1.00 30.36 O HETATM 1560 O HOH 51 18.931 14.838 129.062 1.00 25.60 O HETATM 1561 O HOH 52 25.344 14.274 119.725 1.00 30.65 O HETATM 1562 O HOH 53 31.997 2.941 120.090 1.00 20.03 O HETATM 1563 O HOH 54 29.390 -0.867 95.288 1.00 26.00 O HETATM 1564 O HOH 55 5.086 6.973 124.295 1.00 44.17 O HETATM 1565 O HOH 56 12.546 15.171 129.205 1.00 30.10 O HETATM 1566 O HOH 57 16.237 10.915 99.336 1.00 28.02 O HETATM 1567 O HOH 58 30.169 13.951 111.846 1.00 17.86 O HETATM 1568 O HOH 59 13.532 5.712 130.185 1.00 22.51 O HETATM 1569 O HOH 60 34.756 3.805 104.482 1.00 43.47 O HETATM 1570 O HOH 61 20.566 -4.592 120.542 1.00 22.75 O HETATM 1571 O HOH 62 25.685 7.659 97.689 1.00 31.97 O HETATM 1572 O HOH 63 18.850 15.163 123.705 1.00 38.10 O HETATM 1573 O HOH 64 36.687 10.614 118.338 1.00 29.78 O HETATM 1574 O HOH 65 17.979 8.712 126.130 1.00 18.13 O HETATM 1575 O HOH 66 33.319 15.896 119.573 1.00 19.94 O HETATM 1576 O HOH 67 10.891 10.014 118.712 1.00 37.09 O HETATM 1577 O HOH 68 13.093 -5.152 119.781 1.00 26.82 O HETATM 1578 O HOH 69 35.678 3.414 96.470 1.00 33.21 O HETATM 1579 O HOH 70 19.672 17.262 120.207 1.00 37.59 O HETATM 1580 O HOH 71 13.706 -4.981 97.744 1.00 29.51 O HETATM 1581 O HOH 72 11.682 -1.160 104.704 1.00 29.38 O HETATM 1582 O HOH 73 6.409 8.595 95.443 1.00 30.38 O HETATM 1583 O HOH 74 25.852 -6.326 95.444 1.00 31.60 O HETATM 1584 O HOH 75 15.562 12.286 134.423 1.00 26.38 O HETATM 1585 O HOH 76 24.884 18.437 119.333 1.00 33.42 O HETATM 1586 O HOH 77 39.034 6.515 129.833 1.00 59.29 O HETATM 1587 O HOH 78 13.727 1.673 132.700 1.00 52.24 O HETATM 1588 O HOH 79 17.776 11.066 117.382 1.00 17.22 O HETATM 1589 O HOH 80 21.181 11.350 100.407 1.00 51.69 O HETATM 1590 O HOH 81 26.014 13.604 106.027 1.00 41.20 O HETATM 1591 O HOH 82 38.039 -2.081 117.066 1.00 51.86 O HETATM 1592 O HOH 83 18.711 0.892 124.603 1.00 29.99 O HETATM 1593 O HOH 84 16.267 -10.035 108.315 1.00 39.91 O HETATM 1594 O HOH 85 5.732 10.181 100.157 1.00 28.43 O HETATM 1595 O HOH 86 12.047 11.097 101.314 1.00 28.20 O HETATM 1596 O HOH 87 10.116 7.049 102.737 1.00 42.97 O HETATM 1597 O HOH 88 23.643 -2.860 125.656 1.00 36.13 O HETATM 1598 O HOH 89 23.988 -8.123 95.813 1.00 48.30 O HETATM 1599 O HOH 90 12.354 8.073 130.585 1.00 30.28 O HETATM 1600 O HOH 91 28.609 3.135 102.385 1.00 17.82 O HETATM 1601 O HOH 92 18.002 -2.135 93.292 1.00 38.89 O HETATM 1602 O HOH 93 33.189 0.177 118.915 1.00 29.51 O HETATM 1603 O HOH 94 7.172 5.659 125.464 1.00 46.02 O HETATM 1604 O HOH 95 37.954 3.662 107.894 1.00 39.27 O HETATM 1605 O HOH 96 8.502 2.030 116.193 1.00 37.78 O HETATM 1606 O HOH 97 31.693 -2.814 127.618 1.00 47.57 O HETATM 1607 O HOH 98 14.326 -3.759 121.707 1.00 22.79 O HETATM 1608 O HOH 99 17.087 -10.633 100.726 1.00 29.14 O HETATM 1609 O HOH 100 21.253 -2.891 90.435 1.00 44.97 O HETATM 1610 O HOH 101 12.551 -1.986 122.865 1.00 30.71 O HETATM 1611 O HOH 102 11.307 7.366 104.592 1.00 42.15 O HETATM 1612 O HOH 103 13.594 14.223 97.696 1.00 48.55 O HETATM 1613 O HOH 104 28.268 -0.951 90.716 1.00 33.03 O HETATM 1614 O HOH 105 11.056 3.859 92.721 1.00 44.60 O HETATM 1615 O HOH 106 17.578 4.047 94.647 1.00 26.78 O HETATM 1616 O HOH 107 30.087 0.118 92.530 1.00 37.77 O HETATM 1617 O HOH 108 24.369 12.701 141.748 1.00 31.58 O HETATM 1618 O HOH 109 20.011 14.153 140.525 1.00 38.55 O HETATM 1619 O HOH 110 31.848 7.784 113.012 1.00 37.54 O HETATM 1620 O HOH 111 7.692 -3.044 114.813 1.00 31.02 O HETATM 1621 O HOH 112 11.582 13.219 107.585 1.00 54.93 O HETATM 1622 O HOH 113 11.635 -8.726 117.800 1.00 30.77 O HETATM 1623 O HOH 114 13.110 9.341 135.976 1.00 47.67 O HETATM 1624 O HOH 115 29.562 7.858 97.004 1.00 33.87 O HETATM 1625 O HOH 116 28.517 6.338 111.469 1.00 18.72 O HETATM 1626 O HOH 117 26.582 -8.109 98.856 1.00 25.80 O HETATM 1627 O HOH 118 10.623 -0.633 108.841 1.00 23.54 O HETATM 1628 O HOH 119 31.812 5.361 96.724 1.00 36.33 O HETATM 1629 O HOH 120 15.145 -11.841 106.695 1.00 31.67 O HETATM 1630 O HOH 121 30.194 17.645 124.357 1.00 38.30 O HETATM 1631 O HOH 122 32.936 16.955 122.010 1.00 24.90 O HETATM 1632 O HOH 123 31.998 -9.914 104.778 1.00 20.91 O HETATM 1633 O HOH 124 35.042 4.067 107.182 1.00 25.52 O HETATM 1634 O HOH 125 19.016 13.584 103.851 1.00 36.02 O HETATM 1635 O HOH 126 30.758 0.619 133.532 1.00 44.60 O HETATM 1636 O HOH 127 21.278 10.141 98.195 1.00 38.02 O HETATM 1637 O HOH 128 10.648 -2.381 120.988 1.00 29.26 O HETATM 1638 O HOH 129 42.442 5.153 109.088 1.00 54.12 O HETATM 1639 O HOH 130 15.330 10.939 118.215 1.00 30.44 O HETATM 1640 O HOH 131 20.698 16.095 127.235 1.00 51.58 O HETATM 1641 O HOH 132 19.294 -10.270 94.280 1.00 46.04 O HETATM 1642 O HOH 133 27.287 7.936 140.786 1.00 39.57 O HETATM 1643 O HOH 134 10.834 5.075 99.385 1.00 51.32 O HETATM 1644 O HOH 135 29.535 -1.457 121.170 1.00 23.75 O HETATM 1645 O HOH 136 23.947 8.814 100.767 1.00 34.20 O HETATM 1646 O HOH 137 23.489 4.321 93.725 1.00 36.17 O HETATM 1647 O HOH 138 8.684 15.802 124.104 1.00 53.09 O HETATM 1648 O HOH 139 14.253 -9.991 113.756 1.00 41.08 O HETATM 1649 O HOH 140 20.007 5.916 138.186 1.00 51.71 O HETATM 1650 O HOH 141 14.840 12.903 91.142 1.00 44.63 O HETATM 1651 O HOH 142 23.860 14.333 106.616 1.00 38.64 O HETATM 1652 O HOH 143 39.100 6.921 113.235 1.00 51.85 O HETATM 1653 O HOH 144 26.650 9.345 142.529 1.00 54.04 O HETATM 1654 O HOH 145 23.157 4.572 138.308 1.00 56.16 O HETATM 1655 O HOH 146 10.044 3.441 101.017 1.00 54.22 O HETATM 1656 O HOH 147 31.809 -1.849 119.826 1.00 40.83 O HETATM 1657 O HOH 148 8.749 -15.630 102.522 1.00 54.04 O HETATM 1658 O HOH 149 16.476 -8.281 96.272 1.00 34.19 O HETATM 1659 O HOH 150 27.776 -4.260 124.468 1.00 47.39 O HETATM 1660 O HOH 151 13.911 -2.492 96.613 1.00 45.97 O HETATM 1661 O HOH 152 24.461 -6.293 118.503 1.00 37.11 O HETATM 1662 O HOH 153 41.530 4.039 130.460 1.00 59.74 O HETATM 1663 O HOH 154 12.243 -10.412 115.653 1.00 52.07 O HETATM 1664 O HOH 155 13.117 12.273 133.050 1.00 30.07 O HETATM 1665 O HOH 156 16.701 15.715 127.311 1.00 32.32 O HETATM 1666 O HOH 157 10.891 6.428 108.507 1.00 45.49 O HETATM 1667 O HOH 158 7.185 8.293 91.254 1.00 50.62 O HETATM 1668 O HOH 159 9.324 7.736 107.017 1.00 56.02 O HETATM 1669 O HOH 160 23.709 16.156 123.093 1.00 48.91 O HETATM 1670 O HOH 161 30.763 17.398 133.871 1.00 58.77 O HETATM 1671 O HOH 162 25.053 16.310 121.329 1.00 50.07 O HETATM 1672 O HOH 163 8.605 -1.292 110.329 1.00 49.85 O HETATM 1673 O HOH 164 18.843 -3.591 91.792 1.00 47.06 O HETATM 1674 O HOH 165 14.969 -11.955 102.174 1.00 30.70 O HETATM 1675 O HOH 166 14.175 -14.031 107.872 1.00 46.24 O HETATM 1676 O HOH 167 9.553 -7.255 100.154 1.00 46.92 O HETATM 1677 O HOH 168 7.006 -5.626 114.018 1.00 42.87 O HETATM 1678 O HOH 169 8.061 -9.104 103.236 1.00 43.89 O HETATM 1679 O HOH 170 21.166 -11.393 112.178 1.00 39.88 O HETATM 1680 O HOH 171 17.689 15.459 104.974 1.00 53.51 O HETATM 1681 O HOH 172 21.116 -4.428 123.127 1.00 45.07 O HETATM 1682 O HOH 173 18.302 16.603 131.091 1.00 31.82 O HETATM 1683 O HOH 174 7.911 1.943 118.345 1.00 51.69 O HETATM 1684 O HOH 175 10.089 15.674 127.892 1.00 35.27 O HETATM 1685 O HOH 176 18.395 15.526 133.645 1.00 40.77 O HETATM 1686 O HOH 177 8.900 3.070 129.241 1.00 45.07 O HETATM 1687 O HOH 178 16.543 4.996 139.165 1.00 54.59 O HETATM 1688 O HOH 179 23.260 17.421 124.999 1.00 47.42 O HETATM 1689 O HOH 180 16.829 2.859 92.596 1.00 46.29 O HETATM 1690 O HOH 181 20.911 -3.146 125.355 1.00 41.23 O HETATM 1691 O HOH 182 14.542 16.996 128.431 1.00 38.18 O HETATM 1692 O HOH 183 9.535 -1.251 106.481 1.00 37.18 O HETATM 1693 O HOH 184 20.661 11.429 95.716 1.00 45.86 O HETATM 1694 O HOH 185 37.541 7.270 117.546 1.00 54.45 O HETATM 1695 O HOH 186 18.576 -10.485 115.048 1.00 46.51 O HETATM 1696 O HOH 187 9.775 4.370 97.534 1.00 44.89 O HETATM 1697 O HOH 188 18.553 -8.982 107.636 1.00 44.28 O HETATM 1698 O HOH 189 9.871 -0.351 126.736 1.00 45.97 O HETATM 1699 O HOH 190 17.169 -10.838 98.149 1.00 47.31 O HETATM 1700 O HOH 191 9.022 2.714 121.128 1.00 52.46 O HETATM 1701 O HOH 192 5.918 -1.219 116.462 1.00 39.08 O HETATM 1702 O HOH 193 15.893 15.093 134.577 1.00 26.35 O HETATM 1703 O HOH 194 8.915 12.160 134.127 1.00 57.32 O HETATM 1704 O HOH 195 29.651 -1.109 135.590 1.00 29.99 O HETATM 1705 O HOH 196 16.222 -9.564 115.841 1.00 54.34 O HETATM 1706 O HOH 197 7.056 0.617 114.698 1.00 42.97 O HETATM 1707 O HOH 198 20.602 -6.908 120.970 1.00 52.47 O HETATM 1708 O HOH 199 40.898 -6.750 113.960 1.00 49.34 O HETATM 1709 O HOH 200 28.578 -3.464 117.218 1.00 24.83 O HETATM 1710 O HOH 201 9.432 -13.494 96.842 1.00 57.65 O HETATM 1711 O HOH 202 27.674 -5.865 116.582 1.00 33.33 O HETATM 1712 O HOH 203 6.983 8.952 116.595 1.00 53.17 O HETATM 1713 O HOH 204 10.308 -11.641 100.920 1.00 31.70 O HETATM 1714 O HOH 205 6.652 -0.228 118.871 1.00 35.17 O HETATM 1715 O HOH 206 12.175 14.849 132.055 1.00 30.27 O HETATM 1716 O HOH 207 34.761 -9.660 105.183 1.00 22.34 O HETATM 1717 O HOH 208 17.573 -5.951 92.469 1.00 43.36 O HETATM 1718 O HOH 209 23.586 9.082 96.779 1.00 46.51 O HETATM 1719 O HOH 210 28.135 0.106 137.867 1.00 37.52 O HETATM 1720 O HOH 211 20.986 -9.849 113.990 1.00 41.89 O HETATM 1721 O HOH 212 19.088 -12.037 102.048 1.00 41.60 O HETATM 1722 O HOH 213 8.669 -0.784 120.917 1.00 35.09 O HETATM 1723 O HOH 214 8.878 -11.550 98.738 1.00 47.84 O HETATM 1724 O HOH 215 9.855 15.266 132.938 1.00 44.10 O HETATM 1725 O HOH 216 23.032 -8.881 115.492 1.00 30.93 O HETATM 1726 O HOH 217 15.827 -12.993 104.374 1.00 36.24 O HETATM 1727 O HOH 218 35.831 2.549 94.065 1.00 47.81 O HETATM 1728 O HOH 219 8.171 -13.202 102.198 1.00 43.24 O HETATM 1729 O HOH 220 7.270 -11.805 104.128 1.00 44.80 O HETATM 1730 O HOH 221 10.707 17.723 125.993 1.00 46.25 O HETATM 1731 O HOH 222 7.381 3.817 115.113 1.00 42.03 O HETATM 1732 O HOH 223 11.244 -15.182 98.079 1.00 46.77 O HETATM 1733 O HOH 224 15.916 -9.172 118.041 1.00 46.02 O HETATM 1734 O HOH 225 14.261 -2.250 94.349 1.00 47.23 O HETATM 1735 O HOH 226 7.831 5.797 89.718 1.00 62.30 O HETATM 1736 O HOH 227 22.056 -9.046 118.304 1.00 63.17 O HETATM 1737 O HOH 228 14.345 -4.836 93.047 1.00 51.10 O HETATM 1738 C4 UNN A 229 15.394 11.408 109.917 1.00 -0.07 C HETATM 1739 C5 UNN A 229 15.676 10.148 110.423 1.00 -0.07 C HETATM 1740 C6 UNN A 229 14.642 9.288 110.762 1.00 -0.06 C HETATM 1741 C7 UNN A 229 13.317 9.676 110.595 1.00 0.01 C HETATM 1742 C8 UNN A 229 12.272 8.673 110.992 1.00 0.01 C HETATM 1743 C13 UNN A 229 10.985 9.003 111.418 1.00 0.10 C HETATM 1744 C12 UNN A 229 10.091 8.003 111.779 1.00 -0.03 C HETATM 1745 C11 UNN A 229 10.470 6.672 111.730 1.00 -0.07 C HETATM 1746 C10 UNN A 229 11.753 6.342 111.319 1.00 -0.07 C HETATM 1747 C9 UNN A 229 12.645 7.337 110.953 1.00 -0.06 C HETATM 1748 H7 UNN A 229 13.645 7.069 110.633 1.00 0.06 H HETATM 1749 H4 UNN A 229 12.059 5.303 111.284 1.00 0.05 H HETATM 1750 H8 UNN A 229 9.769 5.894 112.011 1.00 0.06 H HETATM 1751 H9 UNN A 229 9.090 8.266 112.101 1.00 0.05 H HETATM 1752 O14 UNN A 229 10.561 10.313 111.480 1.00 -0.33 O HETATM 1753 H10 UNN A 229 11.268 10.887 111.208 1.00 0.25 H HETATM 1754 C2 UNN A 229 13.042 10.944 110.079 1.00 0.10 C HETATM 1755 O1 UNN A 229 11.753 11.385 109.892 1.00 -0.33 O HETATM 1756 H5 UNN A 229 11.297 11.388 110.725 1.00 0.25 H HETATM 1757 C3 UNN A 229 14.078 11.805 109.745 1.00 -0.03 C HETATM 1758 H6 UNN A 229 13.857 12.790 109.349 1.00 0.05 H HETATM 1759 H3 UNN A 229 14.868 8.306 111.160 1.00 0.06 H HETATM 1760 H2 UNN A 229 16.706 9.835 110.554 1.00 0.05 H HETATM 1761 H1 UNN A 229 16.202 12.082 109.656 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1738 1739 1757 1761 CONECT 1739 1738 1740 1760 CONECT 1740 1739 1741 1759 CONECT 1741 1740 1742 1754 CONECT 1742 1741 1743 1747 CONECT 1743 1742 1744 1752 CONECT 1744 1743 1745 1751 CONECT 1745 1744 1746 1750 CONECT 1746 1745 1747 1749 CONECT 1747 1742 1746 1748 CONECT 1748 1747 CONECT 1749 1746 CONECT 1750 1745 CONECT 1751 1744 CONECT 1752 1743 1753 CONECT 1753 1752 CONECT 1754 1741 1755 1757 CONECT 1755 1754 1756 CONECT 1756 1755 CONECT 1757 1738 1754 1758 CONECT 1758 1757 CONECT 1759 1740 CONECT 1760 1739 CONECT 1761 1738 MASTER 0 0 0 0 0 0 0 0 1760 1 28 12 END
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Structure:
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Protein
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Related entries of code: 5f6v
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2px9
RCSB PDB
PDBbind
158aa, >2PX9_2|Chain... at 100%
5f6d
RCSB PDB
PDBbind
157aa, >5F6D_1|Chain... at 98%
5f6u
RCSB PDB
PDBbind
157aa, >5F6U_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5f6v
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SUMO-conjugating enzyme UBC9 (K48A/K49A/E54A)
Ligand Name
5VL
EC.Number
E.C.6.3.2
Resolution
1.49(Å)
Affinity (Kd/Ki/IC50)
IC50=5.8mM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Angew.Chem.Int.Ed.Engl. Vol. 55: pp. 5703-5707
Ligand Properties
Formula
C
1
2
H
1
0
O
2
Molecular Weight
186.207
Exact Mass
186.068
No. of atoms
24
No. of bonds
25
Polar Surface Area
40.46
LOGP Value
2.84 (
Computed with XLOGP3
)
2.76 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
Canonical SMILES
Oc1ccccc1c1ccccc1O
InChI String
InChI=1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H
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):
P63279
Entrez Gene ID
NCBI Entrez Gene ID:
7329
ASD
Information of known allosteric effects of PDB entries
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