Browse entries in the PDBbind-CN Database
HEADER 5F6U_COMPLEX COMPND 5F6U_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 396 39 ATOM 1 N SER A 2 2.876 7.196 -42.975 1.00 38.37 N ATOM 2 CA SER A 2 3.744 6.029 -42.844 1.00 40.91 C ATOM 3 C SER A 2 2.942 4.732 -42.773 1.00 26.53 C ATOM 4 O SER A 2 2.254 4.474 -41.777 1.00 19.44 O ATOM 5 CB SER A 2 4.633 6.157 -41.602 1.00 28.72 C ATOM 6 OG SER A 2 5.215 4.906 -41.262 1.00 28.15 O ATOM 7 HG SER A 2 5.783 5.015 -40.459 1.00 0.00 H ATOM 8 HN3 SER A 2 2.241 7.248 -42.153 1.00 0.00 H ATOM 9 HN2 SER A 2 2.312 7.111 -43.845 1.00 0.00 H ATOM 10 HN1 SER A 2 3.458 8.056 -43.020 1.00 0.00 H ATOM 11 N GLY A 3 3.037 3.918 -43.824 1.00 21.34 N ATOM 12 CA GLY A 3 2.314 2.657 -43.887 1.00 23.92 C ATOM 13 C GLY A 3 2.606 1.709 -42.736 1.00 16.61 C ATOM 14 O GLY A 3 1.703 1.047 -42.223 1.00 16.01 O ATOM 15 H GLY A 3 3.645 4.192 -44.622 1.00 0.00 H ATOM 16 N ILE A 4 3.870 1.632 -42.333 1.00 15.33 N ATOM 17 CA ILE A 4 4.256 0.752 -41.238 1.00 10.75 C ATOM 18 C ILE A 4 3.586 1.197 -39.933 1.00 9.69 C ATOM 19 O ILE A 4 2.976 0.381 -39.241 1.00 14.63 O ATOM 20 CB ILE A 4 5.792 0.707 -41.089 1.00 13.58 C ATOM 21 CG1 ILE A 4 6.408 0.054 -42.336 1.00 14.70 C ATOM 22 CG2 ILE A 4 6.194 -0.061 -39.840 1.00 17.85 C ATOM 23 CD1 ILE A 4 7.912 0.145 -42.396 1.00 17.36 C ATOM 24 H ILE A 4 4.595 2.209 -42.806 1.00 0.00 H ATOM 25 N ALA A 5 3.672 2.489 -39.627 1.00 12.90 N ATOM 26 CA ALA A 5 3.064 3.010 -38.404 1.00 10.92 C ATOM 27 C ALA A 5 1.558 2.833 -38.437 1.00 12.85 C ATOM 28 O ALA A 5 0.964 2.363 -37.465 1.00 11.42 O ATOM 29 CB ALA A 5 3.427 4.471 -38.202 1.00 13.46 C ATOM 30 H ALA A 5 4.178 3.136 -40.265 1.00 0.00 H ATOM 31 N LEU A 6 0.942 3.204 -39.555 1.00 13.78 N ATOM 32 CA LEU A 6 -0.516 3.158 -39.649 1.00 13.22 C ATOM 33 C LEU A 6 -1.071 1.740 -39.567 1.00 17.27 C ATOM 34 O LEU A 6 -2.142 1.513 -38.996 1.00 14.43 O ATOM 35 CB LEU A 6 -1.007 3.874 -40.909 1.00 14.06 C ATOM 36 CG LEU A 6 -0.813 5.389 -40.905 1.00 16.70 C ATOM 37 CD1 LEU A 6 -1.147 5.985 -42.269 1.00 21.95 C ATOM 38 CD2 LEU A 6 -1.643 6.052 -39.805 1.00 19.32 C ATOM 39 H LEU A 6 1.502 3.529 -40.369 1.00 0.00 H ATOM 40 N SER A 7 -0.338 0.792 -40.138 1.00 13.73 N ATOM 41 CA SER A 7 -0.739 -0.603 -40.072 1.00 14.85 C ATOM 42 C SER A 7 -0.735 -1.075 -38.627 1.00 13.49 C ATOM 43 O SER A 7 -1.701 -1.674 -38.162 1.00 14.72 O ATOM 44 CB SER A 7 0.189 -1.456 -40.930 1.00 16.06 C ATOM 45 OG SER A 7 0.207 -0.988 -42.267 1.00 18.96 O ATOM 46 HG SER A 7 0.527 -0.051 -42.283 1.00 0.00 H ATOM 47 H SER A 7 0.535 1.051 -40.640 1.00 0.00 H ATOM 48 N ARG A 8 0.346 -0.779 -37.914 1.00 11.41 N ATOM 49 CA ARG A 8 0.483 -1.173 -36.517 1.00 10.30 C ATOM 50 C ARG A 8 -0.565 -0.470 -35.650 1.00 10.94 C ATOM 51 O ARG A 8 -1.150 -1.085 -34.769 1.00 11.62 O ATOM 52 CB ARG A 8 1.895 -0.902 -35.991 1.00 9.72 C ATOM 53 CG ARG A 8 2.027 -1.092 -34.473 1.00 11.55 C ATOM 54 CD ARG A 8 1.814 -2.533 -34.008 1.00 12.23 C ATOM 55 NE ARG A 8 1.993 -2.568 -32.561 1.00 14.70 N ATOM 56 CZ ARG A 8 3.179 -2.675 -31.975 1.00 13.91 C ATOM 57 NH1 ARG A 8 4.272 -2.810 -32.718 1.00 12.49 N ATOM 58 NH2 ARG A 8 3.265 -2.655 -30.646 1.00 16.52 N ATOM 59 HE ARG A 8 1.148 -2.506 -31.958 1.00 0.00 H ATOM 60 HH12 ARG A 8 5.203 -2.894 -32.263 1.00 0.00 H ATOM 61 HH11 ARG A 8 4.196 -2.832 -33.755 1.00 0.00 H ATOM 62 HH22 ARG A 8 4.193 -2.739 -30.184 1.00 0.00 H ATOM 63 HH21 ARG A 8 2.404 -2.556 -30.071 1.00 0.00 H ATOM 64 H ARG A 8 1.119 -0.250 -38.366 1.00 0.00 H ATOM 65 N LEU A 9 -0.820 0.804 -35.920 1.00 11.86 N ATOM 66 CA LEU A 9 -1.797 1.540 -35.108 1.00 8.34 C ATOM 67 C LEU A 9 -3.224 1.038 -35.317 1.00 12.65 C ATOM 68 O LEU A 9 -4.026 1.046 -34.377 1.00 12.63 O ATOM 69 CB LEU A 9 -1.695 3.047 -35.340 1.00 11.25 C ATOM 70 CG LEU A 9 -0.412 3.643 -34.758 1.00 10.20 C ATOM 71 CD1 LEU A 9 -0.041 4.962 -35.398 1.00 13.20 C ATOM 72 CD2 LEU A 9 -0.514 3.790 -33.246 1.00 11.26 C ATOM 73 H LEU A 9 -0.329 1.279 -36.704 1.00 0.00 H ATOM 74 N ALA A 10 -3.535 0.580 -36.530 1.00 11.59 N ATOM 75 CA ALA A 10 -4.831 -0.064 -36.772 1.00 15.50 C ATOM 76 C ALA A 10 -4.946 -1.356 -35.964 1.00 14.16 C ATOM 77 O ALA A 10 -6.012 -1.674 -35.422 1.00 13.46 O ATOM 78 CB ALA A 10 -5.012 -0.353 -38.249 1.00 15.91 C ATOM 79 H ALA A 10 -2.854 0.680 -37.310 1.00 0.00 H ATOM 80 N GLN A 11 -3.845 -2.106 -35.893 1.00 12.42 N ATOM 81 CA GLN A 11 -3.798 -3.329 -35.090 1.00 14.60 C ATOM 82 C GLN A 11 -4.041 -3.004 -33.627 1.00 12.81 C ATOM 83 O GLN A 11 -4.805 -3.689 -32.948 1.00 11.83 O ATOM 84 CB GLN A 11 -2.438 -4.020 -35.217 1.00 15.56 C ATOM 85 CG GLN A 11 -2.052 -4.481 -36.614 1.00 17.92 C ATOM 86 CD GLN A 11 -0.627 -5.007 -36.660 1.00 20.65 C ATOM 87 OE1 GLN A 11 -0.077 -5.437 -35.645 1.00 38.61 O ATOM 88 NE2 GLN A 11 -0.023 -4.976 -37.842 1.00 35.87 N ATOM 89 HE22 GLN A 11 -0.526 -4.604 -38.673 1.00 0.00 H ATOM 90 HE21 GLN A 11 0.953 -5.324 -37.937 1.00 0.00 H ATOM 91 H GLN A 11 -2.998 -1.814 -36.422 1.00 0.00 H ATOM 92 N GLU A 12 -3.380 -1.955 -33.144 1.00 10.93 N ATOM 93 CA GLU A 12 -3.506 -1.548 -31.750 1.00 10.41 C ATOM 94 C GLU A 12 -4.943 -1.153 -31.441 1.00 11.20 C ATOM 95 O GLU A 12 -5.453 -1.478 -30.373 1.00 13.10 O ATOM 96 CB GLU A 12 -2.572 -0.365 -31.459 1.00 11.76 C ATOM 97 CG GLU A 12 -1.079 -0.727 -31.456 1.00 12.05 C ATOM 98 CD GLU A 12 -0.672 -1.480 -30.207 1.00 17.55 C ATOM 99 OE1 GLU A 12 -1.335 -1.313 -29.156 1.00 16.61 O ATOM 100 OE2 GLU A 12 0.307 -2.253 -30.268 1.00 18.51 O ATOM 101 H GLU A 12 -2.758 -1.412 -33.777 1.00 0.00 H ATOM 102 N ARG A 13 -5.587 -0.458 -32.378 1.00 12.85 N ATOM 103 CA ARG A 13 -6.966 0.003 -32.178 1.00 12.64 C ATOM 104 C ARG A 13 -7.926 -1.182 -32.083 1.00 13.43 C ATOM 105 O ARG A 13 -8.821 -1.208 -31.224 1.00 13.88 O ATOM 106 CB ARG A 13 -7.369 0.957 -33.308 1.00 11.66 C ATOM 107 CG ARG A 13 -8.750 1.582 -33.179 1.00 20.73 C ATOM 108 CD ARG A 13 -9.037 2.463 -34.395 1.00 26.41 C ATOM 109 NE ARG A 13 -10.244 3.267 -34.225 1.00 44.51 N ATOM 110 CZ ARG A 13 -11.435 2.922 -34.698 1.00 53.92 C ATOM 111 NH1 ARG A 13 -11.576 1.791 -35.377 1.00 49.26 N ATOM 112 NH2 ARG A 13 -12.483 3.708 -34.494 1.00 56.63 N ATOM 113 HE ARG A 13 -10.166 4.163 -33.702 1.00 0.00 H ATOM 114 HH12 ARG A 13 -12.509 1.520 -35.748 1.00 0.00 H ATOM 115 HH11 ARG A 13 -10.753 1.175 -35.538 1.00 0.00 H ATOM 116 HH22 ARG A 13 -13.416 3.437 -34.865 1.00 0.00 H ATOM 117 HH21 ARG A 13 -12.372 4.595 -33.963 1.00 0.00 H ATOM 118 H ARG A 13 -5.102 -0.237 -33.271 1.00 0.00 H ATOM 119 N LYS A 14 -7.723 -2.175 -32.946 1.00 11.65 N ATOM 120 CA LYS A 14 -8.543 -3.386 -32.921 1.00 11.84 C ATOM 121 C LYS A 14 -8.372 -4.145 -31.604 1.00 15.00 C ATOM 122 O LYS A 14 -9.348 -4.577 -30.990 1.00 15.15 O ATOM 123 CB LYS A 14 -8.186 -4.289 -34.115 1.00 15.41 C ATOM 124 CG LYS A 14 -9.159 -5.447 -34.319 1.00 22.56 C ATOM 125 CD LYS A 14 -8.787 -6.284 -35.535 1.00 32.60 C ATOM 126 CE LYS A 14 -7.625 -7.205 -35.228 1.00 52.62 C ATOM 127 NZ LYS A 14 -6.934 -7.685 -36.460 1.00 69.23 N ATOM 128 HZ1 LYS A 14 -7.609 -8.208 -37.053 1.00 0.00 H ATOM 129 HZ2 LYS A 14 -6.565 -6.869 -36.989 1.00 0.00 H ATOM 130 HZ3 LYS A 14 -6.148 -8.311 -36.193 1.00 0.00 H ATOM 131 H LYS A 14 -6.965 -2.088 -33.653 1.00 0.00 H ATOM 132 N ALA A 15 -7.122 -4.290 -31.167 1.00 13.23 N ATOM 133 CA ALA A 15 -6.799 -5.002 -29.939 1.00 13.80 C ATOM 134 C ALA A 15 -7.383 -4.304 -28.723 1.00 15.98 C ATOM 135 O ALA A 15 -7.892 -4.951 -27.798 1.00 14.81 O ATOM 136 CB ALA A 15 -5.289 -5.125 -29.802 1.00 12.51 C ATOM 137 H ALA A 15 -6.347 -3.879 -31.725 1.00 0.00 H ATOM 138 N TRP A 16 -7.299 -2.980 -28.725 1.00 11.75 N ATOM 139 CA TRP A 16 -7.767 -2.186 -27.599 1.00 11.81 C ATOM 140 C TRP A 16 -9.270 -2.357 -27.424 1.00 14.86 C ATOM 141 O TRP A 16 -9.764 -2.498 -26.303 1.00 16.84 O ATOM 142 CB TRP A 16 -7.416 -0.705 -27.804 1.00 10.17 C ATOM 143 CG TRP A 16 -7.958 0.189 -26.726 1.00 9.96 C ATOM 144 CD1 TRP A 16 -9.095 0.958 -26.780 1.00 13.69 C ATOM 145 CD2 TRP A 16 -7.390 0.407 -25.433 1.00 10.01 C ATOM 146 NE1 TRP A 16 -9.260 1.640 -25.596 1.00 11.38 N ATOM 147 CE2 TRP A 16 -8.229 1.316 -24.754 1.00 9.83 C ATOM 148 CE3 TRP A 16 -6.253 -0.073 -24.785 1.00 9.31 C ATOM 149 CZ2 TRP A 16 -7.961 1.747 -23.446 1.00 10.39 C ATOM 150 CZ3 TRP A 16 -5.986 0.357 -23.497 1.00 11.13 C ATOM 151 CH2 TRP A 16 -6.838 1.255 -22.840 1.00 11.79 C ATOM 152 HE1 TRP A 16 -10.039 2.293 -25.377 1.00 0.00 H ATOM 153 H TRP A 16 -6.889 -2.498 -29.551 1.00 0.00 H ATOM 154 N ARG A 17 -9.997 -2.353 -28.530 1.00 13.93 N ATOM 155 CA ARG A 17 -11.446 -2.470 -28.452 1.00 16.38 C ATOM 156 C ARG A 17 -11.902 -3.853 -27.961 1.00 18.81 C ATOM 157 O ARG A 17 -12.875 -3.966 -27.208 1.00 22.12 O ATOM 158 CB ARG A 17 -12.064 -2.069 -29.793 1.00 17.24 C ATOM 159 CG ARG A 17 -11.819 -0.599 -30.111 1.00 21.39 C ATOM 160 CD ARG A 17 -12.020 -0.267 -31.575 1.00 23.86 C ATOM 161 NE ARG A 17 -12.802 0.955 -31.724 1.00 27.17 N ATOM 162 CZ ARG A 17 -14.004 1.007 -32.288 1.00 38.28 C ATOM 163 NH1 ARG A 17 -14.555 -0.093 -32.784 1.00 32.27 N ATOM 164 NH2 ARG A 17 -14.651 2.160 -32.374 1.00 39.57 N ATOM 165 HE ARG A 17 -12.393 1.842 -31.366 1.00 0.00 H ATOM 166 HH12 ARG A 17 -15.496 -0.050 -33.225 1.00 0.00 H ATOM 167 HH11 ARG A 17 -14.046 -0.998 -32.732 1.00 0.00 H ATOM 168 HH22 ARG A 17 -15.592 2.197 -32.816 1.00 0.00 H ATOM 169 HH21 ARG A 17 -14.218 3.028 -31.999 1.00 0.00 H ATOM 170 H ARG A 17 -9.532 -2.266 -29.456 1.00 0.00 H ATOM 171 N LYS A 18 -11.171 -4.897 -28.346 1.00 19.90 N ATOM 172 CA LYS A 18 -11.468 -6.250 -27.896 1.00 20.24 C ATOM 173 C LYS A 18 -11.140 -6.464 -26.415 1.00 24.29 C ATOM 174 O LYS A 18 -11.835 -7.209 -25.711 1.00 28.77 O ATOM 175 CB LYS A 18 -10.713 -7.266 -28.762 1.00 25.61 C ATOM 176 CG LYS A 18 -10.962 -8.703 -28.342 1.00 47.35 C ATOM 177 CD LYS A 18 -10.130 -9.691 -29.140 1.00 43.76 C ATOM 178 CE LYS A 18 -10.284 -11.098 -28.573 1.00 64.62 C ATOM 179 NZ LYS A 18 -9.603 -12.127 -29.405 1.00 67.75 N ATOM 180 HZ1 LYS A 18 -10.009 -12.121 -30.362 1.00 0.00 H ATOM 181 HZ2 LYS A 18 -8.587 -11.912 -29.457 1.00 0.00 H ATOM 182 HZ3 LYS A 18 -9.739 -13.064 -28.975 1.00 0.00 H ATOM 183 H LYS A 18 -10.366 -4.742 -28.986 1.00 0.00 H ATOM 184 N ASP A 19 -10.091 -5.800 -25.935 1.00 18.32 N ATOM 185 CA ASP A 19 -9.582 -6.086 -24.601 1.00 23.33 C ATOM 186 C ASP A 19 -8.813 -4.900 -24.026 1.00 24.72 C ATOM 187 O ASP A 19 -7.661 -4.670 -24.394 1.00 26.90 O ATOM 188 CB ASP A 19 -8.672 -7.316 -24.663 1.00 35.58 C ATOM 189 CG ASP A 19 -8.001 -7.613 -23.341 1.00 61.46 C ATOM 190 OD1 ASP A 19 -8.723 -7.779 -22.335 1.00 48.27 O ATOM 191 OD2 ASP A 19 -6.755 -7.675 -23.309 1.00 61.94 O ATOM 192 H ASP A 19 -9.631 -5.071 -26.517 1.00 0.00 H ATOM 193 N HIS A 20 -9.450 -4.139 -23.137 1.00 16.85 N ATOM 194 CA HIS A 20 -8.773 -3.013 -22.492 1.00 18.97 C ATOM 195 C HIS A 20 -9.155 -2.978 -21.021 1.00 16.20 C ATOM 196 O HIS A 20 -10.239 -3.449 -20.643 1.00 16.71 O ATOM 197 CB HIS A 20 -9.117 -1.688 -23.185 1.00 18.96 C ATOM 198 CG HIS A 20 -10.571 -1.342 -23.136 1.00 17.40 C ATOM 199 ND1 HIS A 20 -11.449 -1.673 -24.145 1.00 25.03 N ATOM 200 CD2 HIS A 20 -11.304 -0.709 -22.190 1.00 22.19 C ATOM 201 CE1 HIS A 20 -12.662 -1.255 -23.826 1.00 31.24 C ATOM 202 NE2 HIS A 20 -12.601 -0.666 -22.643 1.00 32.33 N ATOM 203 H HIS A 20 -10.441 -4.348 -22.898 1.00 0.00 H ATOM 204 N PRO A 21 -8.257 -2.454 -20.168 1.00 12.55 N ATOM 205 CA PRO A 21 -8.556 -2.380 -18.737 1.00 13.72 C ATOM 206 C PRO A 21 -9.729 -1.439 -18.457 1.00 14.48 C ATOM 207 O PRO A 21 -9.880 -0.383 -19.074 1.00 11.76 O ATOM 208 CB PRO A 21 -7.254 -1.842 -18.123 1.00 16.29 C ATOM 209 CG PRO A 21 -6.560 -1.150 -19.246 1.00 15.63 C ATOM 210 CD PRO A 21 -6.931 -1.898 -20.495 1.00 16.92 C ATOM 211 N PHE A 22 -10.581 -1.850 -17.529 1.00 12.80 N ATOM 212 CA PHE A 22 -11.779 -1.092 -17.209 1.00 13.55 C ATOM 213 C PHE A 22 -11.487 0.347 -16.777 1.00 11.40 C ATOM 214 O PHE A 22 -10.601 0.602 -15.951 1.00 14.23 O ATOM 215 CB PHE A 22 -12.566 -1.812 -16.111 1.00 16.52 C ATOM 216 CG PHE A 22 -13.875 -1.169 -15.801 1.00 16.30 C ATOM 217 CD1 PHE A 22 -14.938 -1.285 -16.682 1.00 17.13 C ATOM 218 CD2 PHE A 22 -14.047 -0.440 -14.629 1.00 15.11 C ATOM 219 CE1 PHE A 22 -16.152 -0.684 -16.404 1.00 17.04 C ATOM 220 CE2 PHE A 22 -15.260 0.171 -14.349 1.00 23.82 C ATOM 221 CZ PHE A 22 -16.314 0.040 -15.238 1.00 24.31 C ATOM 222 H PHE A 22 -10.388 -2.735 -17.018 1.00 0.00 H ATOM 223 N GLY A 23 -12.228 1.285 -17.357 1.00 12.72 N ATOM 224 CA GLY A 23 -12.144 2.676 -16.944 1.00 14.59 C ATOM 225 C GLY A 23 -11.101 3.464 -17.703 1.00 12.80 C ATOM 226 O GLY A 23 -11.007 4.685 -17.547 1.00 14.36 O ATOM 227 H GLY A 23 -12.881 1.019 -18.121 1.00 0.00 H ATOM 228 N PHE A 24 -10.305 2.775 -18.516 1.00 9.59 N ATOM 229 CA PHE A 24 -9.327 3.466 -19.352 1.00 9.63 C ATOM 230 C PHE A 24 -9.980 3.845 -20.676 1.00 11.74 C ATOM 231 O PHE A 24 -10.885 3.153 -21.154 1.00 14.35 O ATOM 232 CB PHE A 24 -8.137 2.564 -19.690 1.00 10.16 C ATOM 233 CG PHE A 24 -7.154 2.354 -18.562 1.00 9.60 C ATOM 234 CD1 PHE A 24 -7.490 1.608 -17.427 1.00 9.07 C ATOM 235 CD2 PHE A 24 -5.856 2.843 -18.673 1.00 9.38 C ATOM 236 CE1 PHE A 24 -6.550 1.378 -16.425 1.00 9.67 C ATOM 237 CE2 PHE A 24 -4.921 2.627 -17.669 1.00 11.67 C ATOM 238 CZ PHE A 24 -5.270 1.889 -16.542 1.00 11.16 C ATOM 239 H PHE A 24 -10.380 1.738 -18.557 1.00 0.00 H ATOM 240 N VAL A 25 -9.490 4.928 -21.271 1.00 11.04 N ATOM 241 CA VAL A 25 -9.951 5.405 -22.570 1.00 9.63 C ATOM 242 C VAL A 25 -8.742 5.577 -23.490 1.00 9.42 C ATOM 243 O VAL A 25 -7.692 6.065 -23.055 1.00 10.42 O ATOM 244 CB VAL A 25 -10.702 6.754 -22.434 1.00 12.61 C ATOM 245 CG1 VAL A 25 -11.133 7.283 -23.796 1.00 14.13 C ATOM 246 CG2 VAL A 25 -11.912 6.585 -21.548 1.00 15.08 C ATOM 247 H VAL A 25 -8.741 5.462 -20.786 1.00 0.00 H ATOM 248 N ALA A 26 -8.869 5.158 -24.747 1.00 9.61 N ATOM 249 CA ALA A 26 -7.838 5.457 -25.748 1.00 8.46 C ATOM 250 C ALA A 26 -8.500 5.521 -27.112 1.00 8.87 C ATOM 251 O ALA A 26 -8.904 4.490 -27.656 1.00 13.52 O ATOM 252 CB ALA A 26 -6.752 4.380 -25.738 1.00 8.77 C ATOM 253 H ALA A 26 -9.710 4.612 -25.023 1.00 0.00 H ATOM 254 N VAL A 27 -8.604 6.731 -27.674 1.00 11.87 N ATOM 255 CA VAL A 27 -9.343 6.972 -28.919 1.00 11.74 C ATOM 256 C VAL A 27 -8.563 7.871 -29.879 1.00 9.33 C ATOM 257 O VAL A 27 -8.102 8.946 -29.497 1.00 13.01 O ATOM 258 CB VAL A 27 -10.703 7.657 -28.635 1.00 11.73 C ATOM 259 CG1 VAL A 27 -11.485 7.861 -29.933 1.00 15.79 C ATOM 260 CG2 VAL A 27 -11.521 6.835 -27.660 1.00 14.98 C ATOM 261 H VAL A 27 -8.140 7.537 -27.208 1.00 0.00 H ATOM 262 N PRO A 28 -8.415 7.445 -31.142 1.00 8.21 N ATOM 263 CA PRO A 28 -7.737 8.313 -32.106 1.00 8.35 C ATOM 264 C PRO A 28 -8.504 9.612 -32.332 1.00 11.45 C ATOM 265 O PRO A 28 -9.723 9.649 -32.143 1.00 16.60 O ATOM 266 CB PRO A 28 -7.758 7.484 -33.397 1.00 12.66 C ATOM 267 CG PRO A 28 -7.929 6.063 -32.951 1.00 20.48 C ATOM 268 CD PRO A 28 -8.763 6.126 -31.701 1.00 14.05 C ATOM 269 N THR A 29 -7.797 10.668 -32.715 1.00 10.76 N ATOM 270 CA THR A 29 -8.438 11.949 -32.986 1.00 13.00 C ATOM 271 C THR A 29 -8.804 12.038 -34.462 1.00 12.34 C ATOM 272 O THR A 29 -8.776 11.038 -35.182 1.00 13.17 O ATOM 273 CB THR A 29 -7.526 13.121 -32.607 1.00 15.71 C ATOM 274 OG1 THR A 29 -6.269 12.994 -33.284 1.00 15.08 O ATOM 275 CG2 THR A 29 -7.264 13.126 -31.097 1.00 13.33 C ATOM 276 HG1 THR A 29 -5.838 12.143 -33.020 1.00 0.00 H ATOM 277 H THR A 29 -6.766 10.580 -32.824 1.00 0.00 H ATOM 278 N LYS A 30 -9.165 13.239 -34.905 1.00 12.45 N ATOM 279 CA LYS A 30 -9.503 13.462 -36.307 1.00 15.88 C ATOM 280 C LYS A 30 -8.613 14.510 -36.954 1.00 15.62 C ATOM 281 O LYS A 30 -8.100 15.412 -36.282 1.00 15.87 O ATOM 282 CB LYS A 30 -10.977 13.866 -36.445 1.00 13.80 C ATOM 283 CG LYS A 30 -11.931 12.754 -36.052 1.00 14.78 C ATOM 284 CD LYS A 30 -13.400 13.125 -36.281 1.00 15.98 C ATOM 285 CE LYS A 30 -14.298 11.956 -35.899 1.00 23.78 C ATOM 286 NZ LYS A 30 -15.745 12.242 -36.132 1.00 24.63 N ATOM 287 HZ1 LYS A 30 -16.031 13.064 -35.562 1.00 0.00 H ATOM 288 HZ2 LYS A 30 -15.899 12.447 -37.140 1.00 0.00 H ATOM 289 HZ3 LYS A 30 -16.310 11.414 -35.855 1.00 0.00 H ATOM 290 H LYS A 30 -9.207 14.036 -34.238 1.00 0.00 H ATOM 291 N ASN A 31 -8.439 14.374 -38.267 1.00 14.54 N ATOM 292 CA ASN A 31 -7.748 15.358 -39.083 1.00 18.75 C ATOM 293 C ASN A 31 -8.695 16.512 -39.397 1.00 25.33 C ATOM 294 O ASN A 31 -9.895 16.398 -39.161 1.00 21.95 O ATOM 295 CB ASN A 31 -7.288 14.683 -40.372 1.00 19.99 C ATOM 296 CG ASN A 31 -6.211 13.646 -40.131 1.00 17.51 C ATOM 297 OD1 ASN A 31 -5.182 13.943 -39.520 1.00 19.88 O ATOM 298 ND2 ASN A 31 -6.451 12.421 -40.585 1.00 22.26 N ATOM 299 HD22 ASN A 31 -7.335 12.219 -41.095 1.00 0.00 H ATOM 300 HD21 ASN A 31 -5.755 11.664 -40.430 1.00 0.00 H ATOM 301 H ASN A 31 -8.816 13.523 -38.731 1.00 0.00 H ATOM 302 N PRO A 32 -8.167 17.634 -39.922 1.00 25.62 N ATOM 303 CA PRO A 32 -9.078 18.751 -40.220 1.00 23.32 C ATOM 304 C PRO A 32 -10.164 18.409 -41.255 1.00 25.89 C ATOM 305 O PRO A 32 -11.207 19.069 -41.269 1.00 25.50 O ATOM 306 CB PRO A 32 -8.136 19.831 -40.764 1.00 29.56 C ATOM 307 CG PRO A 32 -6.819 19.534 -40.131 1.00 35.01 C ATOM 308 CD PRO A 32 -6.752 18.028 -40.050 1.00 24.45 C ATOM 309 N ASP A 33 -9.931 17.402 -42.095 1.00 27.20 N ATOM 310 CA ASP A 33 -10.952 16.959 -43.047 1.00 24.89 C ATOM 311 C ASP A 33 -11.925 15.932 -42.466 1.00 26.69 C ATOM 312 O ASP A 33 -12.791 15.408 -43.172 1.00 28.46 O ATOM 313 CB ASP A 33 -10.315 16.435 -44.344 1.00 30.90 C ATOM 314 CG ASP A 33 -9.430 15.218 -44.121 1.00 49.86 C ATOM 315 OD1 ASP A 33 -9.421 14.665 -43.000 1.00 29.35 O ATOM 316 OD2 ASP A 33 -8.751 14.801 -45.083 1.00 34.92 O ATOM 317 H ASP A 33 -9.009 16.922 -42.075 1.00 0.00 H ATOM 318 N GLY A 34 -11.774 15.640 -41.178 1.00 16.93 N ATOM 319 CA GLY A 34 -12.688 14.740 -40.499 1.00 17.30 C ATOM 320 C GLY A 34 -12.313 13.265 -40.506 1.00 18.95 C ATOM 321 O GLY A 34 -12.982 12.455 -39.858 1.00 19.96 O ATOM 322 H GLY A 34 -10.987 16.064 -40.647 1.00 0.00 H ATOM 323 N THR A 35 -11.260 12.903 -41.232 1.00 21.02 N ATOM 324 CA THR A 35 -10.824 11.512 -41.240 1.00 18.07 C ATOM 325 C THR A 35 -10.095 11.186 -39.947 1.00 18.24 C ATOM 326 O THR A 35 -9.676 12.084 -39.215 1.00 18.12 O ATOM 327 CB THR A 35 -9.900 11.194 -42.435 1.00 17.62 C ATOM 328 OG1 THR A 35 -8.764 12.067 -42.423 1.00 20.62 O ATOM 329 CG2 THR A 35 -10.653 11.371 -43.746 1.00 24.45 C ATOM 330 HG1 THR A 35 -9.070 13.006 -42.489 1.00 0.00 H ATOM 331 H THR A 35 -10.747 13.612 -41.794 1.00 0.00 H ATOM 332 N MET A 36 -9.936 9.898 -39.679 1.00 20.32 N ATOM 333 CA MET A 36 -9.259 9.456 -38.465 1.00 19.09 C ATOM 334 C MET A 36 -7.759 9.734 -38.509 1.00 21.12 C ATOM 335 O MET A 36 -7.094 9.465 -39.517 1.00 20.80 O ATOM 336 CB MET A 36 -9.503 7.968 -38.260 1.00 21.59 C ATOM 337 CG MET A 36 -8.718 7.365 -37.115 1.00 23.64 C ATOM 338 SD MET A 36 -9.297 5.696 -36.766 1.00 26.94 S ATOM 339 CE MET A 36 -10.883 6.047 -36.020 1.00 39.56 C ATOM 340 H MET A 36 -10.301 9.189 -40.347 1.00 0.00 H ATOM 341 N ASN A 37 -7.237 10.285 -37.414 1.00 14.58 N ATOM 342 CA ASN A 37 -5.803 10.484 -37.252 1.00 12.42 C ATOM 343 C ASN A 37 -5.251 9.484 -36.241 1.00 14.35 C ATOM 344 O ASN A 37 -5.347 9.697 -35.022 1.00 13.91 O ATOM 345 CB ASN A 37 -5.507 11.920 -36.801 1.00 11.48 C ATOM 346 CG ASN A 37 -4.018 12.212 -36.703 1.00 13.16 C ATOM 347 OD1 ASN A 37 -3.186 11.385 -37.075 1.00 18.85 O ATOM 348 ND2 ASN A 37 -3.676 13.400 -36.216 1.00 18.48 N ATOM 349 HD22 ASN A 37 -4.412 14.069 -35.913 1.00 0.00 H ATOM 350 HD21 ASN A 37 -2.672 13.661 -36.138 1.00 0.00 H ATOM 351 H ASN A 37 -7.875 10.583 -36.649 1.00 0.00 H ATOM 352 N LEU A 38 -4.676 8.393 -36.743 1.00 11.21 N ATOM 353 CA LEU A 38 -4.126 7.354 -35.872 1.00 10.76 C ATOM 354 C LEU A 38 -2.821 7.784 -35.200 1.00 10.54 C ATOM 355 O LEU A 38 -2.327 7.088 -34.312 1.00 11.65 O ATOM 356 CB LEU A 38 -3.922 6.050 -36.659 1.00 10.90 C ATOM 357 CG LEU A 38 -5.169 5.219 -36.962 1.00 12.13 C ATOM 358 CD1 LEU A 38 -4.842 4.158 -38.015 1.00 14.21 C ATOM 359 CD2 LEU A 38 -5.692 4.555 -35.699 1.00 17.20 C ATOM 360 H LEU A 38 -4.617 8.277 -37.775 1.00 0.00 H ATOM 361 N MET A 39 -2.272 8.932 -35.582 1.00 11.98 N ATOM 362 CA MET A 39 -0.996 9.379 -35.009 1.00 13.32 C ATOM 363 C MET A 39 -1.138 10.155 -33.693 1.00 10.61 C ATOM 364 O MET A 39 -0.142 10.513 -33.058 1.00 11.06 O ATOM 365 CB MET A 39 -0.204 10.213 -36.026 1.00 13.97 C ATOM 366 CG MET A 39 -0.039 9.564 -37.401 1.00 16.28 C ATOM 367 SD MET A 39 0.715 7.926 -37.335 1.00 17.58 S ATOM 368 CE MET A 39 2.411 8.357 -36.974 1.00 15.91 C ATOM 369 H MET A 39 -2.751 9.520 -36.294 1.00 0.00 H ATOM 370 N ASN A 40 -2.380 10.422 -33.289 1.00 10.65 N ATOM 371 CA ASN A 40 -2.643 11.303 -32.158 1.00 9.96 C ATOM 372 C ASN A 40 -3.868 10.778 -31.426 1.00 12.95 C ATOM 373 O ASN A 40 -4.979 10.861 -31.949 1.00 11.04 O ATOM 374 CB ASN A 40 -2.905 12.723 -32.692 1.00 9.37 C ATOM 375 CG ASN A 40 -3.146 13.746 -31.595 1.00 15.84 C ATOM 376 OD1 ASN A 40 -3.635 13.426 -30.502 1.00 14.23 O ATOM 377 ND2 ASN A 40 -2.815 15.002 -31.891 1.00 20.73 N ATOM 378 HD22 ASN A 40 -2.407 15.227 -32.821 1.00 0.00 H ATOM 379 HD21 ASN A 40 -2.965 15.758 -31.192 1.00 0.00 H ATOM 380 H ASN A 40 -3.181 9.991 -33.793 1.00 0.00 H ATOM 381 N TRP A 41 -3.672 10.221 -30.231 1.00 8.47 N ATOM 382 CA TRP A 41 -4.782 9.626 -29.490 1.00 9.68 C ATOM 383 C TRP A 41 -5.063 10.402 -28.210 1.00 8.60 C ATOM 384 O TRP A 41 -4.139 10.889 -27.550 1.00 9.75 O ATOM 385 CB TRP A 41 -4.482 8.178 -29.101 1.00 9.95 C ATOM 386 CG TRP A 41 -4.346 7.178 -30.225 1.00 8.30 C ATOM 387 CD1 TRP A 41 -3.694 7.340 -31.412 1.00 9.38 C ATOM 388 CD2 TRP A 41 -4.865 5.845 -30.232 1.00 8.06 C ATOM 389 NE1 TRP A 41 -3.775 6.185 -32.157 1.00 9.45 N ATOM 390 CE2 TRP A 41 -4.492 5.252 -31.451 1.00 8.32 C ATOM 391 CE3 TRP A 41 -5.614 5.097 -29.318 1.00 10.69 C ATOM 392 CZ2 TRP A 41 -4.844 3.940 -31.782 1.00 11.69 C ATOM 393 CZ3 TRP A 41 -5.971 3.799 -29.647 1.00 13.16 C ATOM 394 CH2 TRP A 41 -5.587 3.234 -30.867 1.00 13.07 C ATOM 395 HE1 TRP A 41 -3.361 6.043 -33.100 1.00 0.00 H ATOM 396 H TRP A 41 -2.716 10.210 -29.821 1.00 0.00 H ATOM 397 N GLU A 42 -6.347 10.501 -27.857 1.00 8.21 N ATOM 398 CA GLU A 42 -6.759 11.102 -26.593 1.00 6.92 C ATOM 399 C GLU A 42 -7.104 9.966 -25.653 1.00 9.98 C ATOM 400 O GLU A 42 -7.917 9.097 -25.980 1.00 11.28 O ATOM 401 CB GLU A 42 -7.939 12.054 -26.812 1.00 10.01 C ATOM 402 CG GLU A 42 -7.479 13.397 -27.369 1.00 11.09 C ATOM 403 CD GLU A 42 -8.558 14.208 -28.085 1.00 22.54 C ATOM 404 OE1 GLU A 42 -9.712 13.742 -28.228 1.00 20.98 O ATOM 405 OE2 GLU A 42 -8.228 15.333 -28.529 1.00 19.24 O ATOM 406 H GLU A 42 -7.076 10.138 -28.504 1.00 0.00 H ATOM 407 N CYS A 43 -6.440 9.953 -24.504 1.00 9.13 N ATOM 408 CA CYS A 43 -6.544 8.845 -23.575 1.00 10.24 C ATOM 409 C CYS A 43 -6.890 9.329 -22.178 1.00 8.67 C ATOM 410 O CYS A 43 -6.775 10.515 -21.857 1.00 9.44 O ATOM 411 CB CYS A 43 -5.216 8.082 -23.518 1.00 8.36 C ATOM 412 SG CYS A 43 -4.587 7.536 -25.114 1.00 12.18 S ATOM 413 H CYS A 43 -5.829 10.759 -24.264 1.00 0.00 H ATOM 414 N ALA A 44 -7.320 8.399 -21.336 1.00 9.04 N ATOM 415 CA ALA A 44 -7.582 8.726 -19.943 1.00 10.01 C ATOM 416 C ALA A 44 -7.221 7.531 -19.095 1.00 10.60 C ATOM 417 O ALA A 44 -7.509 6.380 -19.467 1.00 11.89 O ATOM 418 CB ALA A 44 -9.040 9.106 -19.735 1.00 12.65 C ATOM 419 H ALA A 44 -7.471 7.427 -21.675 1.00 0.00 H ATOM 420 N ILE A 45 -6.565 7.802 -17.973 1.00 8.36 N ATOM 421 CA ILE A 45 -6.164 6.758 -17.039 1.00 9.48 C ATOM 422 C ILE A 45 -6.885 6.971 -15.711 1.00 8.34 C ATOM 423 O ILE A 45 -6.800 8.045 -15.102 1.00 9.43 O ATOM 424 CB ILE A 45 -4.642 6.797 -16.795 1.00 8.51 C ATOM 425 CG1 ILE A 45 -3.887 6.476 -18.087 1.00 10.19 C ATOM 426 CG2 ILE A 45 -4.246 5.838 -15.685 1.00 9.44 C ATOM 427 CD1 ILE A 45 -2.410 6.779 -17.981 1.00 11.02 C ATOM 428 H ILE A 45 -6.330 8.791 -17.754 1.00 0.00 H ATOM 429 N PRO A 46 -7.589 5.937 -15.234 1.00 8.71 N ATOM 430 CA PRO A 46 -8.252 6.076 -13.934 1.00 10.70 C ATOM 431 C PRO A 46 -7.256 5.848 -12.805 1.00 11.14 C ATOM 432 O PRO A 46 -6.354 5.014 -12.932 1.00 11.29 O ATOM 433 CB PRO A 46 -9.279 4.943 -13.962 1.00 9.41 C ATOM 434 CG PRO A 46 -8.610 3.866 -14.807 1.00 9.42 C ATOM 435 CD PRO A 46 -7.884 4.652 -15.891 1.00 8.45 C ATOM 436 N GLY A 47 -7.403 6.583 -11.708 1.00 10.85 N ATOM 437 CA GLY A 47 -6.627 6.278 -10.522 1.00 12.30 C ATOM 438 C GLY A 47 -7.010 4.913 -9.992 1.00 13.15 C ATOM 439 O GLY A 47 -8.178 4.513 -10.048 1.00 17.29 O ATOM 440 H GLY A 47 -8.075 7.377 -11.700 1.00 0.00 H ATOM 441 N ALA A 48 -6.025 4.181 -9.487 1.00 16.60 N ATOM 442 CA ALA A 48 -6.301 2.879 -8.888 1.00 19.87 C ATOM 443 C ALA A 48 -7.071 3.027 -7.576 1.00 23.08 C ATOM 444 O ALA A 48 -6.794 3.928 -6.781 1.00 18.73 O ATOM 445 CB ALA A 48 -5.012 2.120 -8.665 1.00 21.03 C ATOM 446 H ALA A 48 -5.049 4.538 -9.518 1.00 0.00 H ATOM 447 N ALA A 49 -8.039 2.140 -7.347 1.00 23.93 N ATOM 448 CA ALA A 49 -8.816 2.176 -6.112 1.00 26.85 C ATOM 449 C ALA A 49 -7.902 1.913 -4.925 1.00 17.67 C ATOM 450 O ALA A 49 -6.873 1.260 -5.068 1.00 21.86 O ATOM 451 CB ALA A 49 -9.943 1.156 -6.155 1.00 27.92 C ATOM 452 H ALA A 49 -8.244 1.411 -8.060 1.00 0.00 H ATOM 453 N GLY A 50 -8.265 2.442 -3.763 1.00 18.82 N ATOM 454 CA GLY A 50 -7.477 2.219 -2.564 1.00 21.35 C ATOM 455 C GLY A 50 -6.171 2.987 -2.489 1.00 25.98 C ATOM 456 O GLY A 50 -5.378 2.746 -1.579 1.00 18.93 O ATOM 457 H GLY A 50 -9.125 3.024 -3.711 1.00 0.00 H ATOM 458 N THR A 51 -5.945 3.893 -3.446 1.00 20.81 N ATOM 459 CA THR A 51 -4.755 4.746 -3.468 1.00 16.54 C ATOM 460 C THR A 51 -5.177 6.211 -3.419 1.00 12.69 C ATOM 461 O THR A 51 -6.351 6.518 -3.637 1.00 16.05 O ATOM 462 CB THR A 51 -3.904 4.504 -4.757 1.00 21.72 C ATOM 463 OG1 THR A 51 -4.517 5.157 -5.879 1.00 14.56 O ATOM 464 CG2 THR A 51 -3.749 3.028 -5.040 1.00 18.41 C ATOM 465 HG1 THR A 51 -5.427 4.792 -6.015 1.00 0.00 H ATOM 466 H THR A 51 -6.645 3.996 -4.208 1.00 0.00 H ATOM 467 N PRO A 52 -4.224 7.131 -3.145 1.00 15.16 N ATOM 468 CA PRO A 52 -4.527 8.567 -3.189 1.00 19.25 C ATOM 469 C PRO A 52 -5.022 9.031 -4.559 1.00 14.18 C ATOM 470 O PRO A 52 -5.640 10.095 -4.660 1.00 15.48 O ATOM 471 CB PRO A 52 -3.175 9.218 -2.881 1.00 21.52 C ATOM 472 CG PRO A 52 -2.437 8.205 -2.105 1.00 29.53 C ATOM 473 CD PRO A 52 -2.864 6.873 -2.632 1.00 23.72 C ATOM 474 N TRP A 53 -4.776 8.234 -5.602 1.00 14.78 N ATOM 475 CA TRP A 53 -5.229 8.583 -6.951 1.00 13.10 C ATOM 476 C TRP A 53 -6.672 8.190 -7.238 1.00 13.45 C ATOM 477 O TRP A 53 -7.227 8.562 -8.272 1.00 13.19 O ATOM 478 CB TRP A 53 -4.304 7.956 -8.010 1.00 11.40 C ATOM 479 CG TRP A 53 -2.899 8.412 -7.810 1.00 8.91 C ATOM 480 CD1 TRP A 53 -2.000 7.918 -6.923 1.00 12.56 C ATOM 481 CD2 TRP A 53 -2.243 9.488 -8.494 1.00 10.02 C ATOM 482 NE1 TRP A 53 -0.821 8.620 -7.002 1.00 11.99 N ATOM 483 CE2 TRP A 53 -0.946 9.587 -7.960 1.00 11.95 C ATOM 484 CE3 TRP A 53 -2.635 10.380 -9.496 1.00 11.81 C ATOM 485 CZ2 TRP A 53 -0.037 10.552 -8.391 1.00 12.08 C ATOM 486 CZ3 TRP A 53 -1.723 11.326 -9.931 1.00 11.52 C ATOM 487 CH2 TRP A 53 -0.446 11.407 -9.374 1.00 9.70 C ATOM 488 HE1 TRP A 53 0.028 8.444 -6.427 1.00 0.00 H ATOM 489 H TRP A 53 -4.252 7.348 -5.454 1.00 0.00 H ATOM 490 N ALA A 54 -7.286 7.454 -6.313 1.00 13.63 N ATOM 491 CA ALA A 54 -8.629 6.930 -6.534 1.00 12.75 C ATOM 492 C ALA A 54 -9.645 8.018 -6.831 1.00 12.17 C ATOM 493 O ALA A 54 -9.658 9.078 -6.191 1.00 17.11 O ATOM 494 CB ALA A 54 -9.076 6.105 -5.338 1.00 15.98 C ATOM 495 H ALA A 54 -6.799 7.249 -5.417 1.00 0.00 H ATOM 496 N GLY A 55 -10.501 7.747 -7.809 1.00 13.78 N ATOM 497 CA GLY A 55 -11.578 8.657 -8.147 1.00 18.99 C ATOM 498 C GLY A 55 -11.209 9.670 -9.214 1.00 16.45 C ATOM 499 O GLY A 55 -12.081 10.347 -9.762 1.00 19.46 O ATOM 500 H GLY A 55 -10.397 6.862 -8.345 1.00 0.00 H ATOM 501 N GLY A 56 -9.918 9.789 -9.514 1.00 13.40 N ATOM 502 CA GLY A 56 -9.496 10.709 -10.557 1.00 11.97 C ATOM 503 C GLY A 56 -9.490 10.028 -11.914 1.00 9.69 C ATOM 504 O GLY A 56 -9.351 8.806 -11.990 1.00 12.07 O ATOM 505 H GLY A 56 -9.211 9.224 -9.002 1.00 0.00 H ATOM 506 N LEU A 57 -9.689 10.809 -12.972 1.00 11.99 N ATOM 507 CA LEU A 57 -9.556 10.300 -14.331 1.00 11.51 C ATOM 508 C LEU A 57 -8.612 11.257 -15.036 1.00 11.28 C ATOM 509 O LEU A 57 -8.942 12.432 -15.262 1.00 14.30 O ATOM 510 CB LEU A 57 -10.915 10.245 -15.027 1.00 11.67 C ATOM 511 CG LEU A 57 -10.907 9.685 -16.449 1.00 13.00 C ATOM 512 CD1 LEU A 57 -10.386 8.256 -16.436 1.00 14.32 C ATOM 513 CD2 LEU A 57 -12.309 9.754 -17.073 1.00 18.20 C ATOM 514 H LEU A 57 -9.946 11.806 -12.826 1.00 0.00 H ATOM 515 N PHE A 58 -7.424 10.760 -15.361 1.00 10.44 N ATOM 516 CA PHE A 58 -6.325 11.636 -15.739 1.00 9.22 C ATOM 517 C PHE A 58 -6.099 11.576 -17.237 1.00 10.12 C ATOM 518 O PHE A 58 -5.748 10.530 -17.782 1.00 10.68 O ATOM 519 CB PHE A 58 -5.086 11.231 -14.940 1.00 8.91 C ATOM 520 CG PHE A 58 -5.328 11.239 -13.459 1.00 7.81 C ATOM 521 CD1 PHE A 58 -5.359 12.443 -12.765 1.00 11.27 C ATOM 522 CD2 PHE A 58 -5.587 10.065 -12.771 1.00 9.14 C ATOM 523 CE1 PHE A 58 -5.618 12.475 -11.389 1.00 12.16 C ATOM 524 CE2 PHE A 58 -5.857 10.087 -11.393 1.00 11.28 C ATOM 525 CZ PHE A 58 -5.867 11.300 -10.707 1.00 11.99 C ATOM 526 H PHE A 58 -7.277 9.731 -15.345 1.00 0.00 H ATOM 527 N LYS A 59 -6.333 12.705 -17.901 1.00 8.29 N ATOM 528 CA LYS A 59 -6.325 12.748 -19.356 1.00 8.28 C ATOM 529 C LYS A 59 -4.918 12.911 -19.898 1.00 9.04 C ATOM 530 O LYS A 59 -4.116 13.667 -19.349 1.00 9.47 O ATOM 531 CB LYS A 59 -7.205 13.901 -19.828 1.00 11.79 C ATOM 532 CG LYS A 59 -8.646 13.768 -19.311 1.00 14.56 C ATOM 533 CD LYS A 59 -9.509 14.965 -19.683 1.00 27.05 C ATOM 534 CE LYS A 59 -10.936 14.781 -19.154 1.00 44.39 C ATOM 535 NZ LYS A 59 -11.876 15.833 -19.647 1.00 48.91 N ATOM 536 HZ1 LYS A 59 -11.540 16.768 -19.339 1.00 0.00 H ATOM 537 HZ2 LYS A 59 -11.915 15.802 -20.686 1.00 0.00 H ATOM 538 HZ3 LYS A 59 -12.825 15.658 -19.258 1.00 0.00 H ATOM 539 H LYS A 59 -6.526 13.577 -17.368 1.00 0.00 H ATOM 540 N LEU A 60 -4.603 12.169 -20.952 1.00 8.02 N ATOM 541 CA LEU A 60 -3.296 12.302 -21.584 1.00 9.92 C ATOM 542 C LEU A 60 -3.361 12.036 -23.072 1.00 8.12 C ATOM 543 O LEU A 60 -4.173 11.227 -23.549 1.00 11.09 O ATOM 544 CB LEU A 60 -2.196 11.462 -20.891 1.00 17.73 C ATOM 545 CG LEU A 60 -1.864 9.962 -21.015 1.00 17.44 C ATOM 546 CD1 LEU A 60 -1.610 9.465 -22.430 1.00 11.84 C ATOM 547 CD2 LEU A 60 -0.616 9.684 -20.189 1.00 10.78 C ATOM 548 H LEU A 60 -5.293 11.488 -21.330 1.00 0.00 H ATOM 549 N ARG A 61 -2.487 12.712 -23.798 1.00 7.24 N ATOM 550 CA ARG A 61 -2.425 12.559 -25.233 1.00 5.99 C ATOM 551 C ARG A 61 -1.230 11.681 -25.565 1.00 8.16 C ATOM 552 O ARG A 61 -0.165 11.791 -24.937 1.00 9.12 O ATOM 553 CB ARG A 61 -2.269 13.936 -25.890 1.00 9.65 C ATOM 554 CG ARG A 61 -2.488 13.935 -27.407 1.00 10.78 C ATOM 555 CD ARG A 61 -2.411 15.350 -27.978 1.00 11.14 C ATOM 556 NE ARG A 61 -3.460 16.207 -27.433 1.00 11.55 N ATOM 557 CZ ARG A 61 -4.714 16.235 -27.882 1.00 17.88 C ATOM 558 NH1 ARG A 61 -5.087 15.449 -28.884 1.00 17.74 N ATOM 559 NH2 ARG A 61 -5.607 17.047 -27.321 1.00 18.83 N ATOM 560 HE ARG A 61 -3.212 16.836 -26.643 1.00 0.00 H ATOM 561 HH12 ARG A 61 -6.068 15.476 -29.229 1.00 0.00 H ATOM 562 HH11 ARG A 61 -4.399 14.806 -29.324 1.00 0.00 H ATOM 563 HH22 ARG A 61 -6.585 17.067 -27.673 1.00 0.00 H ATOM 564 HH21 ARG A 61 -5.326 17.662 -26.530 1.00 0.00 H ATOM 565 H ARG A 61 -1.831 13.367 -23.327 1.00 0.00 H ATOM 566 N MET A 62 -1.437 10.804 -26.542 1.00 6.87 N ATOM 567 CA MET A 62 -0.395 9.920 -27.033 1.00 7.71 C ATOM 568 C MET A 62 -0.077 10.299 -28.475 1.00 8.50 C ATOM 569 O MET A 62 -0.962 10.263 -29.345 1.00 11.09 O ATOM 570 CB MET A 62 -0.870 8.472 -26.941 1.00 12.82 C ATOM 571 CG MET A 62 0.259 7.476 -26.890 1.00 11.68 C ATOM 572 SD MET A 62 -0.314 5.802 -26.525 1.00 10.33 S ATOM 573 CE MET A 62 -0.953 6.011 -24.878 1.00 17.89 C ATOM 574 H MET A 62 -2.382 10.749 -26.972 1.00 0.00 H ATOM 575 N LEU A 63 1.173 10.684 -28.723 1.00 7.89 N ATOM 576 CA LEU A 63 1.588 11.186 -30.028 1.00 10.57 C ATOM 577 C LEU A 63 2.625 10.267 -30.648 1.00 9.86 C ATOM 578 O LEU A 63 3.703 10.065 -30.078 1.00 12.00 O ATOM 579 CB LEU A 63 2.182 12.592 -29.883 1.00 12.92 C ATOM 580 CG LEU A 63 1.202 13.602 -29.286 1.00 21.86 C ATOM 581 CD1 LEU A 63 1.909 14.870 -28.867 1.00 30.92 C ATOM 582 CD2 LEU A 63 0.131 13.912 -30.295 1.00 17.05 C ATOM 583 H LEU A 63 1.878 10.625 -27.960 1.00 0.00 H ATOM 584 N PHE A 64 2.303 9.742 -31.825 1.00 11.31 N ATOM 585 CA PHE A 64 3.181 8.802 -32.523 1.00 8.43 C ATOM 586 C PHE A 64 3.974 9.471 -33.637 1.00 13.26 C ATOM 587 O PHE A 64 3.418 10.257 -34.415 1.00 15.24 O ATOM 588 CB PHE A 64 2.343 7.653 -33.086 1.00 8.28 C ATOM 589 CG PHE A 64 1.629 6.863 -32.025 1.00 11.36 C ATOM 590 CD1 PHE A 64 0.345 7.222 -31.617 1.00 12.01 C ATOM 591 CD2 PHE A 64 2.241 5.770 -31.417 1.00 9.68 C ATOM 592 CE1 PHE A 64 -0.316 6.506 -30.629 1.00 10.97 C ATOM 593 CE2 PHE A 64 1.577 5.044 -30.429 1.00 9.58 C ATOM 594 CZ PHE A 64 0.301 5.410 -30.040 1.00 10.75 C ATOM 595 H PHE A 64 1.398 10.007 -32.264 1.00 0.00 H ATOM 596 N LYS A 65 5.272 9.167 -33.702 1.00 12.26 N ATOM 597 CA LYS A 65 6.114 9.590 -34.830 1.00 10.79 C ATOM 598 C LYS A 65 5.918 8.675 -36.030 1.00 12.15 C ATOM 599 O LYS A 65 5.432 7.551 -35.893 1.00 15.27 O ATOM 600 CB LYS A 65 7.599 9.617 -34.434 1.00 15.61 C ATOM 601 CG LYS A 65 7.932 10.690 -33.402 1.00 19.13 C ATOM 602 CD LYS A 65 9.431 10.857 -33.200 1.00 24.49 C ATOM 603 CE LYS A 65 9.981 9.772 -32.312 1.00 36.39 C ATOM 604 NZ LYS A 65 11.395 10.031 -31.937 1.00 46.23 N ATOM 605 HZ1 LYS A 65 11.978 10.077 -32.797 1.00 0.00 H ATOM 606 HZ2 LYS A 65 11.457 10.935 -31.426 1.00 0.00 H ATOM 607 HZ3 LYS A 65 11.737 9.262 -31.326 1.00 0.00 H ATOM 608 H LYS A 65 5.700 8.615 -32.932 1.00 0.00 H ATOM 609 N ASP A 66 6.307 9.159 -37.208 1.00 12.15 N ATOM 610 CA ASP A 66 6.139 8.398 -38.442 1.00 12.64 C ATOM 611 C ASP A 66 6.895 7.069 -38.442 1.00 12.52 C ATOM 612 O ASP A 66 6.493 6.129 -39.131 1.00 15.24 O ATOM 613 CB ASP A 66 6.571 9.232 -39.652 1.00 15.22 C ATOM 614 CG ASP A 66 5.583 10.323 -39.996 1.00 40.48 C ATOM 615 OD1 ASP A 66 4.498 10.368 -39.378 1.00 35.68 O ATOM 616 OD2 ASP A 66 5.892 11.127 -40.902 1.00 29.15 O ATOM 617 H ASP A 66 6.741 10.103 -37.250 1.00 0.00 H ATOM 618 N ASP A 67 7.974 6.986 -37.667 1.00 13.25 N ATOM 619 CA ASP A 67 8.735 5.739 -37.594 1.00 15.81 C ATOM 620 C ASP A 67 8.271 4.767 -36.508 1.00 15.92 C ATOM 621 O ASP A 67 8.921 3.753 -36.280 1.00 16.08 O ATOM 622 CB ASP A 67 10.251 6.010 -37.493 1.00 17.16 C ATOM 623 CG ASP A 67 10.664 6.620 -36.163 1.00 22.58 C ATOM 624 OD1 ASP A 67 9.792 6.935 -35.328 1.00 25.27 O ATOM 625 OD2 ASP A 67 11.883 6.799 -35.947 1.00 21.02 O ATOM 626 H ASP A 67 8.277 7.811 -37.111 1.00 0.00 H ATOM 627 N TYR A 68 7.151 5.056 -35.844 1.00 10.81 N ATOM 628 CA TYR A 68 6.580 4.085 -34.903 1.00 10.41 C ATOM 629 C TYR A 68 6.333 2.767 -35.655 1.00 9.59 C ATOM 630 O TYR A 68 5.887 2.783 -36.801 1.00 11.54 O ATOM 631 CB TYR A 68 5.267 4.655 -34.323 1.00 12.91 C ATOM 632 CG TYR A 68 4.428 3.680 -33.516 1.00 7.10 C ATOM 633 CD1 TYR A 68 4.718 3.404 -32.190 1.00 7.68 C ATOM 634 CD2 TYR A 68 3.341 3.042 -34.093 1.00 7.88 C ATOM 635 CE1 TYR A 68 3.947 2.503 -31.466 1.00 7.58 C ATOM 636 CE2 TYR A 68 2.580 2.146 -33.392 1.00 8.38 C ATOM 637 CZ TYR A 68 2.879 1.879 -32.075 1.00 8.67 C ATOM 638 OH TYR A 68 2.101 0.987 -31.382 1.00 12.36 O ATOM 639 HH TYR A 68 2.441 0.904 -30.456 1.00 0.00 H ATOM 640 H TYR A 68 6.681 5.972 -35.993 1.00 0.00 H ATOM 641 N PRO A 69 6.590 1.608 -35.016 1.00 7.91 N ATOM 642 CA PRO A 69 6.968 1.388 -33.613 1.00 7.05 C ATOM 643 C PRO A 69 8.472 1.305 -33.334 1.00 7.05 C ATOM 644 O PRO A 69 8.836 0.781 -32.273 1.00 8.17 O ATOM 645 CB PRO A 69 6.284 0.058 -33.298 1.00 9.62 C ATOM 646 CG PRO A 69 6.434 -0.706 -34.588 1.00 8.19 C ATOM 647 CD PRO A 69 6.246 0.336 -35.678 1.00 9.53 C ATOM 648 N SER A 70 9.313 1.798 -34.237 1.00 8.60 N ATOM 649 CA SER A 70 10.735 1.951 -33.927 1.00 10.02 C ATOM 650 C SER A 70 10.907 2.802 -32.670 1.00 9.17 C ATOM 651 O SER A 70 11.701 2.477 -31.776 1.00 11.37 O ATOM 652 CB SER A 70 11.471 2.600 -35.103 1.00 10.82 C ATOM 653 OG SER A 70 12.871 2.651 -34.882 1.00 9.46 O ATOM 654 HG SER A 70 13.056 3.181 -34.067 1.00 0.00 H ATOM 655 H SER A 70 8.957 2.078 -35.173 1.00 0.00 H ATOM 656 N SER A 71 10.145 3.893 -32.616 1.00 10.62 N ATOM 657 CA SER A 71 10.180 4.831 -31.494 1.00 10.59 C ATOM 658 C SER A 71 8.916 4.712 -30.658 1.00 9.33 C ATOM 659 O SER A 71 7.858 4.338 -31.174 1.00 10.31 O ATOM 660 CB SER A 71 10.261 6.246 -32.047 1.00 12.04 C ATOM 661 OG SER A 71 9.187 6.480 -32.942 1.00 16.45 O ATOM 662 HG SER A 71 8.328 6.366 -32.462 1.00 0.00 H ATOM 663 H SER A 71 9.497 4.087 -33.406 1.00 0.00 H ATOM 664 N PRO A 72 9.012 5.039 -29.361 1.00 9.60 N ATOM 665 CA PRO A 72 7.835 5.067 -28.492 1.00 9.79 C ATOM 666 C PRO A 72 7.009 6.315 -28.775 1.00 9.23 C ATOM 667 O PRO A 72 7.537 7.303 -29.289 1.00 9.64 O ATOM 668 CB PRO A 72 8.445 5.182 -27.088 1.00 9.60 C ATOM 669 CG PRO A 72 9.736 5.933 -27.316 1.00 8.93 C ATOM 670 CD PRO A 72 10.248 5.393 -28.635 1.00 10.47 C ATOM 671 N PRO A 73 5.719 6.288 -28.422 1.00 7.96 N ATOM 672 CA PRO A 73 4.981 7.550 -28.512 1.00 11.27 C ATOM 673 C PRO A 73 5.403 8.511 -27.407 1.00 8.58 C ATOM 674 O PRO A 73 5.935 8.075 -26.373 1.00 9.07 O ATOM 675 CB PRO A 73 3.540 7.112 -28.256 1.00 13.55 C ATOM 676 CG PRO A 73 3.684 5.956 -27.326 1.00 11.13 C ATOM 677 CD PRO A 73 4.884 5.201 -27.883 1.00 11.83 C ATOM 678 N LYS A 74 5.199 9.807 -27.640 1.00 9.28 N ATOM 679 CA LYS A 74 5.290 10.790 -26.575 1.00 8.59 C ATOM 680 C LYS A 74 3.954 10.781 -25.845 1.00 8.30 C ATOM 681 O LYS A 74 2.897 10.837 -26.480 1.00 10.13 O ATOM 682 CB LYS A 74 5.563 12.178 -27.152 1.00 9.45 C ATOM 683 CG LYS A 74 5.725 13.270 -26.108 1.00 13.30 C ATOM 684 CD LYS A 74 5.881 14.617 -26.788 1.00 17.42 C ATOM 685 CE LYS A 74 6.242 15.699 -25.800 1.00 16.54 C ATOM 686 NZ LYS A 74 6.238 17.036 -26.462 1.00 13.75 N ATOM 687 HZ1 LYS A 74 6.932 17.040 -27.236 1.00 0.00 H ATOM 688 HZ2 LYS A 74 5.290 17.230 -26.844 1.00 0.00 H ATOM 689 HZ3 LYS A 74 6.489 17.767 -25.766 1.00 0.00 H ATOM 690 H LYS A 74 4.970 10.121 -28.605 1.00 0.00 H ATOM 691 N CYS A 75 4.009 10.675 -24.520 1.00 7.87 N ATOM 692 CA CYS A 75 2.810 10.638 -23.682 1.00 7.64 C ATOM 693 C CYS A 75 2.799 11.871 -22.806 1.00 9.32 C ATOM 694 O CYS A 75 3.753 12.121 -22.055 1.00 11.22 O ATOM 695 CB CYS A 75 2.779 9.371 -22.834 1.00 6.85 C ATOM 696 SG CYS A 75 2.739 7.874 -23.859 1.00 11.25 S ATOM 697 H CYS A 75 4.941 10.616 -24.062 1.00 0.00 H ATOM 698 N LYS A 76 1.736 12.660 -22.923 1.00 6.33 N ATOM 699 CA LYS A 76 1.684 13.950 -22.244 1.00 7.47 C ATOM 700 C LYS A 76 0.357 14.141 -21.533 1.00 8.66 C ATOM 701 O LYS A 76 -0.708 14.135 -22.160 1.00 8.88 O ATOM 702 CB LYS A 76 1.893 15.079 -23.253 1.00 11.94 C ATOM 703 CG LYS A 76 2.117 16.457 -22.642 1.00 14.94 C ATOM 704 CD LYS A 76 2.222 17.503 -23.738 1.00 19.29 C ATOM 705 CE LYS A 76 3.100 16.998 -24.870 1.00 24.58 C ATOM 706 NZ LYS A 76 3.373 18.020 -25.923 1.00 32.92 N ATOM 707 HZ1 LYS A 76 2.474 18.331 -26.344 1.00 0.00 H ATOM 708 HZ2 LYS A 76 3.858 18.835 -25.496 1.00 0.00 H ATOM 709 HZ3 LYS A 76 3.977 17.604 -26.660 1.00 0.00 H ATOM 710 H LYS A 76 0.931 12.354 -23.506 1.00 0.00 H ATOM 711 N PHE A 77 0.421 14.312 -20.222 1.00 7.77 N ATOM 712 CA PHE A 77 -0.773 14.643 -19.460 1.00 8.20 C ATOM 713 C PHE A 77 -1.255 16.046 -19.837 1.00 9.02 C ATOM 714 O PHE A 77 -0.463 16.988 -19.906 1.00 10.81 O ATOM 715 CB PHE A 77 -0.494 14.534 -17.968 1.00 7.82 C ATOM 716 CG PHE A 77 -0.524 13.121 -17.463 1.00 6.14 C ATOM 717 CD1 PHE A 77 -1.725 12.414 -17.410 1.00 8.10 C ATOM 718 CD2 PHE A 77 0.636 12.490 -17.040 1.00 7.20 C ATOM 719 CE1 PHE A 77 -1.770 11.108 -16.952 1.00 7.36 C ATOM 720 CE2 PHE A 77 0.589 11.162 -16.571 1.00 6.86 C ATOM 721 CZ PHE A 77 -0.613 10.481 -16.523 1.00 7.94 C ATOM 722 H PHE A 77 1.333 14.209 -19.733 1.00 0.00 H ATOM 723 N GLU A 78 -2.552 16.144 -20.112 1.00 8.72 N ATOM 724 CA GLU A 78 -3.175 17.398 -20.514 1.00 11.79 C ATOM 725 C GLU A 78 -4.458 17.560 -19.709 1.00 14.85 C ATOM 726 O GLU A 78 -5.467 16.905 -19.975 1.00 17.22 O ATOM 727 CB GLU A 78 -3.451 17.405 -22.021 1.00 16.04 C ATOM 728 CG GLU A 78 -2.188 17.402 -22.879 1.00 11.61 C ATOM 729 CD GLU A 78 -2.472 17.593 -24.357 1.00 26.17 C ATOM 730 OE1 GLU A 78 -3.648 17.454 -24.760 1.00 29.34 O ATOM 731 OE2 GLU A 78 -1.518 17.879 -25.114 1.00 26.22 O ATOM 732 H GLU A 78 -3.145 15.293 -20.037 1.00 0.00 H ATOM 733 N PRO A 79 -4.419 18.427 -18.683 1.00 11.65 N ATOM 734 CA PRO A 79 -3.335 19.317 -18.253 1.00 13.15 C ATOM 735 C PRO A 79 -2.212 18.596 -17.501 1.00 11.95 C ATOM 736 O PRO A 79 -2.384 17.446 -17.095 1.00 14.85 O ATOM 737 CB PRO A 79 -4.055 20.285 -17.308 1.00 16.07 C ATOM 738 CG PRO A 79 -5.144 19.470 -16.722 1.00 15.87 C ATOM 739 CD PRO A 79 -5.611 18.560 -17.820 1.00 14.50 C ATOM 740 N PRO A 80 -1.059 19.262 -17.328 1.00 13.80 N ATOM 741 CA PRO A 80 0.041 18.642 -16.581 1.00 11.96 C ATOM 742 C PRO A 80 -0.352 18.277 -15.147 1.00 13.11 C ATOM 743 O PRO A 80 -1.209 18.934 -14.547 1.00 17.29 O ATOM 744 CB PRO A 80 1.118 19.730 -16.586 1.00 15.21 C ATOM 745 CG PRO A 80 0.841 20.513 -17.828 1.00 17.74 C ATOM 746 CD PRO A 80 -0.656 20.538 -17.946 1.00 14.47 C ATOM 747 N LEU A 81 0.269 17.230 -14.614 1.00 10.61 N ATOM 748 CA LEU A 81 -0.060 16.719 -13.286 1.00 11.66 C ATOM 749 C LEU A 81 1.080 16.920 -12.302 1.00 11.28 C ATOM 750 O LEU A 81 2.255 16.961 -12.684 1.00 13.16 O ATOM 751 CB LEU A 81 -0.316 15.206 -13.355 1.00 17.54 C ATOM 752 CG LEU A 81 -1.503 14.651 -14.123 1.00 20.86 C ATOM 753 CD1 LEU A 81 -1.533 13.136 -13.957 1.00 16.82 C ATOM 754 CD2 LEU A 81 -2.775 15.279 -13.613 1.00 26.32 C ATOM 755 H LEU A 81 1.016 16.758 -15.162 1.00 0.00 H ATOM 756 N PHE A 82 0.724 17.019 -11.026 1.00 9.37 N ATOM 757 CA PHE A 82 1.668 16.941 -9.933 1.00 9.61 C ATOM 758 C PHE A 82 2.090 15.487 -9.736 1.00 12.23 C ATOM 759 O PHE A 82 1.269 14.650 -9.349 1.00 11.59 O ATOM 760 CB PHE A 82 0.964 17.482 -8.678 1.00 11.86 C ATOM 761 CG PHE A 82 1.771 17.395 -7.407 1.00 13.54 C ATOM 762 CD1 PHE A 82 1.623 16.313 -6.549 1.00 11.11 C ATOM 763 CD2 PHE A 82 2.625 18.424 -7.036 1.00 13.86 C ATOM 764 CE1 PHE A 82 2.336 16.239 -5.355 1.00 13.13 C ATOM 765 CE2 PHE A 82 3.345 18.360 -5.839 1.00 13.67 C ATOM 766 CZ PHE A 82 3.200 17.262 -5.004 1.00 15.80 C ATOM 767 H PHE A 82 -0.282 17.159 -10.802 1.00 0.00 H ATOM 768 N HIS A 83 3.360 15.183 -10.018 1.00 9.08 N ATOM 769 CA HIS A 83 3.938 13.843 -9.858 1.00 7.33 C ATOM 770 C HIS A 83 5.447 13.988 -10.097 1.00 8.10 C ATOM 771 O HIS A 83 5.852 14.730 -11.000 1.00 8.25 O ATOM 772 CB HIS A 83 3.324 12.857 -10.868 1.00 9.15 C ATOM 773 CG HIS A 83 3.797 11.447 -10.704 1.00 9.27 C ATOM 774 ND1 HIS A 83 5.034 11.017 -11.152 1.00 8.30 N ATOM 775 CD2 HIS A 83 3.220 10.371 -10.122 1.00 8.59 C ATOM 776 CE1 HIS A 83 5.185 9.736 -10.863 1.00 10.11 C ATOM 777 NE2 HIS A 83 4.098 9.323 -10.225 1.00 8.88 N ATOM 778 H HIS A 83 3.977 15.942 -10.372 1.00 0.00 H ATOM 779 N PRO A 84 6.280 13.289 -9.307 1.00 8.32 N ATOM 780 CA PRO A 84 7.735 13.472 -9.425 1.00 10.65 C ATOM 781 C PRO A 84 8.299 13.166 -10.814 1.00 10.50 C ATOM 782 O PRO A 84 9.344 13.716 -11.171 1.00 11.07 O ATOM 783 CB PRO A 84 8.300 12.469 -8.414 1.00 10.94 C ATOM 784 CG PRO A 84 7.207 12.296 -7.413 1.00 9.09 C ATOM 785 CD PRO A 84 5.935 12.355 -8.217 1.00 9.98 C ATOM 786 N ASN A 85 7.630 12.305 -11.578 1.00 8.68 N ATOM 787 CA ASN A 85 8.152 11.861 -12.873 1.00 8.74 C ATOM 788 C ASN A 85 7.370 12.387 -14.065 1.00 8.69 C ATOM 789 O ASN A 85 7.463 11.834 -15.168 1.00 10.84 O ATOM 790 CB ASN A 85 8.188 10.332 -12.946 1.00 8.14 C ATOM 791 CG ASN A 85 8.927 9.720 -11.796 1.00 12.19 C ATOM 792 OD1 ASN A 85 8.328 9.050 -10.956 1.00 12.17 O ATOM 793 ND2 ASN A 85 10.233 9.948 -11.740 1.00 12.22 N ATOM 794 HD22 ASN A 85 10.693 10.522 -12.476 1.00 0.00 H ATOM 795 HD21 ASN A 85 10.797 9.553 -10.960 1.00 0.00 H ATOM 796 H ASN A 85 6.714 11.939 -11.247 1.00 0.00 H ATOM 797 N VAL A 86 6.592 13.442 -13.853 1.00 6.08 N ATOM 798 CA VAL A 86 5.933 14.130 -14.956 1.00 7.51 C ATOM 799 C VAL A 86 6.520 15.526 -15.081 1.00 6.93 C ATOM 800 O VAL A 86 6.485 16.304 -14.127 1.00 9.32 O ATOM 801 CB VAL A 86 4.394 14.193 -14.738 1.00 9.23 C ATOM 802 CG1 VAL A 86 3.709 15.008 -15.837 1.00 9.79 C ATOM 803 CG2 VAL A 86 3.816 12.777 -14.677 1.00 8.45 C ATOM 804 H VAL A 86 6.450 13.784 -12.881 1.00 0.00 H ATOM 805 N TYR A 87 7.076 15.842 -16.247 1.00 7.60 N ATOM 806 CA TYR A 87 7.631 17.177 -16.493 1.00 8.50 C ATOM 807 C TYR A 87 6.541 18.247 -16.389 1.00 10.42 C ATOM 808 O TYR A 87 5.360 17.949 -16.572 1.00 10.05 O ATOM 809 CB TYR A 87 8.284 17.227 -17.881 1.00 6.50 C ATOM 810 CG TYR A 87 9.559 16.426 -17.974 1.00 7.86 C ATOM 811 CD1 TYR A 87 10.739 16.907 -17.426 1.00 11.48 C ATOM 812 CD2 TYR A 87 9.585 15.204 -18.626 1.00 9.50 C ATOM 813 CE1 TYR A 87 11.909 16.176 -17.509 1.00 10.06 C ATOM 814 CE2 TYR A 87 10.748 14.459 -18.713 1.00 9.89 C ATOM 815 CZ TYR A 87 11.907 14.959 -18.159 1.00 10.03 C ATOM 816 OH TYR A 87 13.076 14.242 -18.233 1.00 16.92 O ATOM 817 HH TYR A 87 13.801 14.748 -17.787 1.00 0.00 H ATOM 818 H TYR A 87 7.118 15.127 -17.001 1.00 0.00 H ATOM 819 N PRO A 88 6.934 19.494 -16.078 1.00 9.60 N ATOM 820 CA PRO A 88 5.985 20.610 -16.052 1.00 11.26 C ATOM 821 C PRO A 88 5.181 20.744 -17.345 1.00 10.51 C ATOM 822 O PRO A 88 4.066 21.260 -17.309 1.00 14.60 O ATOM 823 CB PRO A 88 6.892 21.830 -15.864 1.00 13.31 C ATOM 824 CG PRO A 88 8.051 21.303 -15.092 1.00 14.93 C ATOM 825 CD PRO A 88 8.270 19.891 -15.600 1.00 11.47 C ATOM 826 N SER A 89 5.732 20.284 -18.467 1.00 8.43 N ATOM 827 CA SER A 89 5.014 20.302 -19.740 1.00 9.22 C ATOM 828 C SER A 89 3.860 19.298 -19.800 1.00 10.57 C ATOM 829 O SER A 89 2.978 19.404 -20.663 1.00 12.84 O ATOM 830 CB SER A 89 5.971 19.964 -20.862 1.00 11.01 C ATOM 831 OG SER A 89 6.389 18.610 -20.724 1.00 9.95 O ATOM 832 HG SER A 89 7.016 18.383 -21.456 1.00 0.00 H ATOM 833 H SER A 89 6.699 19.902 -18.436 1.00 0.00 H ATOM 834 N GLY A 90 3.883 18.321 -18.898 1.00 8.45 N ATOM 835 CA GLY A 90 2.948 17.207 -18.945 1.00 7.94 C ATOM 836 C GLY A 90 3.557 15.912 -19.450 1.00 10.38 C ATOM 837 O GLY A 90 2.977 14.846 -19.287 1.00 8.41 O ATOM 838 H GLY A 90 4.590 18.354 -18.136 1.00 0.00 H ATOM 839 N THR A 91 4.729 15.996 -20.068 1.00 8.73 N ATOM 840 CA THR A 91 5.350 14.814 -20.646 1.00 5.12 C ATOM 841 C THR A 91 5.756 13.833 -19.556 1.00 7.93 C ATOM 842 O THR A 91 6.300 14.222 -18.515 1.00 10.12 O ATOM 843 CB THR A 91 6.563 15.209 -21.489 1.00 8.42 C ATOM 844 OG1 THR A 91 6.111 16.057 -22.549 1.00 10.55 O ATOM 845 CG2 THR A 91 7.241 13.990 -22.088 1.00 7.65 C ATOM 846 HG1 THR A 91 5.684 16.864 -22.165 1.00 0.00 H ATOM 847 H THR A 91 5.208 16.916 -20.140 1.00 0.00 H ATOM 848 N VAL A 92 5.470 12.558 -19.794 1.00 7.56 N ATOM 849 CA VAL A 92 5.782 11.503 -18.841 1.00 8.29 C ATOM 850 C VAL A 92 7.197 10.975 -19.027 1.00 10.00 C ATOM 851 O VAL A 92 7.605 10.683 -20.154 1.00 11.06 O ATOM 852 CB VAL A 92 4.789 10.351 -19.028 1.00 10.17 C ATOM 853 CG1 VAL A 92 5.142 9.173 -18.125 1.00 12.26 C ATOM 854 CG2 VAL A 92 3.371 10.843 -18.749 1.00 9.38 C ATOM 855 H VAL A 92 5.008 12.305 -20.691 1.00 0.00 H ATOM 856 N CYS A 93 7.942 10.867 -17.923 1.00 7.97 N ATOM 857 CA CYS A 93 9.300 10.322 -17.920 1.00 10.03 C ATOM 858 C CYS A 93 9.237 8.876 -17.412 1.00 14.44 C ATOM 859 O CYS A 93 8.959 8.639 -16.233 1.00 12.82 O ATOM 860 CB CYS A 93 10.183 11.176 -16.998 1.00 13.44 C ATOM 861 SG CYS A 93 11.931 10.709 -16.931 1.00 22.55 S ATOM 862 H CYS A 93 7.536 11.186 -17.020 1.00 0.00 H ATOM 863 N LEU A 94 9.471 7.911 -18.302 1.00 11.31 N ATOM 864 CA LEU A 94 9.321 6.489 -17.961 1.00 9.11 C ATOM 865 C LEU A 94 10.218 5.730 -18.924 1.00 10.41 C ATOM 866 O LEU A 94 10.229 6.044 -20.108 1.00 10.96 O ATOM 867 CB LEU A 94 7.864 6.060 -18.138 1.00 11.51 C ATOM 868 CG LEU A 94 7.436 4.637 -17.783 1.00 14.70 C ATOM 869 CD1 LEU A 94 7.700 4.392 -16.310 1.00 15.35 C ATOM 870 CD2 LEU A 94 5.964 4.419 -18.101 1.00 11.71 C ATOM 871 H LEU A 94 9.768 8.172 -19.264 1.00 0.00 H ATOM 872 N SER A 95 10.957 4.736 -18.423 1.00 17.35 N ATOM 873 CA SER A 95 11.985 4.081 -19.231 1.00 12.75 C ATOM 874 C SER A 95 11.432 3.366 -20.464 1.00 9.77 C ATOM 875 O SER A 95 12.066 3.386 -21.520 1.00 13.80 O ATOM 876 CB SER A 95 12.830 3.124 -18.386 1.00 18.52 C ATOM 877 OG SER A 95 12.049 2.064 -17.876 1.00 24.52 O ATOM 878 HG SER A 95 11.326 2.432 -17.308 1.00 0.00 H ATOM 879 H SER A 95 10.799 4.423 -17.444 1.00 0.00 H ATOM 880 N ILE A 96 10.253 2.755 -20.346 1.00 13.36 N ATOM 881 CA ILE A 96 9.666 2.116 -21.535 1.00 10.86 C ATOM 882 C ILE A 96 9.274 3.136 -22.610 1.00 13.41 C ATOM 883 O ILE A 96 9.011 2.749 -23.752 1.00 14.74 O ATOM 884 CB ILE A 96 8.457 1.202 -21.229 1.00 14.37 C ATOM 885 CG1 ILE A 96 7.318 1.981 -20.569 1.00 12.71 C ATOM 886 CG2 ILE A 96 8.870 0.025 -20.373 1.00 20.98 C ATOM 887 CD1 ILE A 96 5.988 1.229 -20.567 1.00 18.98 C ATOM 888 H ILE A 96 9.758 2.730 -19.432 1.00 0.00 H ATOM 889 N LEU A 97 9.249 4.428 -22.267 1.00 12.45 N ATOM 890 CA LEU A 97 8.909 5.470 -23.246 1.00 9.09 C ATOM 891 C LEU A 97 10.130 6.168 -23.841 1.00 9.15 C ATOM 892 O LEU A 97 10.023 7.233 -24.455 1.00 13.00 O ATOM 893 CB LEU A 97 7.949 6.501 -22.650 1.00 9.77 C ATOM 894 CG LEU A 97 6.628 5.914 -22.177 1.00 12.81 C ATOM 895 CD1 LEU A 97 5.779 6.995 -21.512 1.00 17.21 C ATOM 896 CD2 LEU A 97 5.883 5.300 -23.347 1.00 16.90 C ATOM 897 H LEU A 97 9.474 4.701 -21.289 1.00 0.00 H ATOM 898 N GLU A 98 11.299 5.559 -23.684 1.00 11.13 N ATOM 899 CA GLU A 98 12.502 6.084 -24.316 1.00 13.78 C ATOM 900 C GLU A 98 13.148 5.007 -25.174 1.00 12.50 C ATOM 901 O GLU A 98 13.421 3.904 -24.694 1.00 14.77 O ATOM 902 CB GLU A 98 13.476 6.634 -23.268 1.00 21.80 C ATOM 903 CG GLU A 98 13.108 8.030 -22.774 1.00 20.17 C ATOM 904 CD GLU A 98 14.150 8.634 -21.845 1.00 38.78 C ATOM 905 OE1 GLU A 98 15.340 8.696 -22.229 1.00 41.68 O ATOM 906 OE2 GLU A 98 13.776 9.059 -20.730 1.00 35.94 O ATOM 907 H GLU A 98 11.357 4.698 -23.104 1.00 0.00 H ATOM 908 N GLU A 99 13.359 5.346 -26.442 1.00 14.35 N ATOM 909 CA GLU A 99 13.896 4.446 -27.453 1.00 16.53 C ATOM 910 C GLU A 99 15.239 3.876 -27.015 1.00 23.45 C ATOM 911 O GLU A 99 15.533 2.699 -27.255 1.00 25.46 O ATOM 912 CB GLU A 99 14.038 5.214 -28.768 1.00 19.94 C ATOM 913 CG GLU A 99 14.498 4.392 -29.967 1.00 19.50 C ATOM 914 CD GLU A 99 14.529 5.216 -31.245 1.00 31.63 C ATOM 915 OE1 GLU A 99 13.489 5.820 -31.591 1.00 27.99 O ATOM 916 OE2 GLU A 99 15.597 5.269 -31.895 1.00 30.82 O ATOM 917 H GLU A 99 13.125 6.317 -26.731 1.00 0.00 H ATOM 918 N ASP A 100 16.036 4.703 -26.343 1.00 18.23 N ATOM 919 CA ASP A 100 17.377 4.289 -25.927 1.00 25.72 C ATOM 920 C ASP A 100 17.395 3.521 -24.610 1.00 27.01 C ATOM 921 O ASP A 100 18.444 3.013 -24.204 1.00 28.48 O ATOM 922 CB ASP A 100 18.304 5.502 -25.828 1.00 31.63 C ATOM 923 CG ASP A 100 18.470 6.219 -27.156 1.00 56.59 C ATOM 924 OD1 ASP A 100 18.709 5.541 -28.178 1.00 53.86 O ATOM 925 OD2 ASP A 100 18.350 7.463 -27.175 1.00 61.85 O ATOM 926 H ASP A 100 15.701 5.659 -26.109 1.00 0.00 H ATOM 927 N LYS A 101 16.247 3.430 -23.940 1.00 20.09 N ATOM 928 CA LYS A 101 16.170 2.702 -22.682 1.00 13.71 C ATOM 929 C LYS A 101 15.383 1.397 -22.791 1.00 17.37 C ATOM 930 O LYS A 101 15.906 0.401 -23.310 1.00 23.60 O ATOM 931 CB LYS A 101 15.626 3.589 -21.555 1.00 16.83 C ATOM 932 CG LYS A 101 16.566 4.736 -21.218 1.00 26.85 C ATOM 933 CD LYS A 101 16.060 5.552 -20.042 1.00 33.08 C ATOM 934 CE LYS A 101 17.086 6.592 -19.605 1.00 41.52 C ATOM 935 NZ LYS A 101 16.631 7.343 -18.395 1.00 53.66 N ATOM 936 HZ1 LYS A 101 15.738 7.832 -18.608 1.00 0.00 H ATOM 937 HZ2 LYS A 101 16.484 6.677 -17.610 1.00 0.00 H ATOM 938 HZ3 LYS A 101 17.355 8.040 -18.129 1.00 0.00 H ATOM 939 H LYS A 101 15.394 3.886 -24.321 1.00 0.00 H ATOM 940 N ASP A 102 14.140 1.389 -22.322 1.00 14.81 N ATOM 941 CA ASP A 102 13.382 0.140 -22.252 1.00 15.15 C ATOM 942 C ASP A 102 12.251 -0.007 -23.282 1.00 9.50 C ATOM 943 O ASP A 102 11.495 -0.974 -23.233 1.00 15.26 O ATOM 944 CB ASP A 102 12.844 -0.089 -20.839 1.00 16.48 C ATOM 945 CG ASP A 102 13.947 -0.338 -19.827 1.00 28.35 C ATOM 946 OD1 ASP A 102 15.056 -0.734 -20.238 1.00 26.15 O ATOM 947 OD2 ASP A 102 13.699 -0.151 -18.619 1.00 26.46 O ATOM 948 H ASP A 102 13.703 2.277 -22.002 1.00 0.00 H ATOM 949 N TRP A 103 12.136 0.932 -24.214 1.00 9.64 N ATOM 950 CA TRP A 103 11.159 0.757 -25.291 1.00 9.02 C ATOM 951 C TRP A 103 11.499 -0.475 -26.126 1.00 11.43 C ATOM 952 O TRP A 103 12.668 -0.724 -26.442 1.00 13.86 O ATOM 953 CB TRP A 103 11.103 1.989 -26.205 1.00 10.40 C ATOM 954 CG TRP A 103 10.237 1.772 -27.433 1.00 9.68 C ATOM 955 CD1 TRP A 103 10.665 1.630 -28.727 1.00 8.51 C ATOM 956 CD2 TRP A 103 8.804 1.648 -27.472 1.00 6.36 C ATOM 957 NE1 TRP A 103 9.589 1.424 -29.568 1.00 9.70 N ATOM 958 CE2 TRP A 103 8.438 1.445 -28.826 1.00 5.87 C ATOM 959 CE3 TRP A 103 7.801 1.691 -26.496 1.00 7.77 C ATOM 960 CZ2 TRP A 103 7.102 1.279 -29.224 1.00 8.10 C ATOM 961 CZ3 TRP A 103 6.479 1.544 -26.893 1.00 10.67 C ATOM 962 CH2 TRP A 103 6.141 1.333 -28.240 1.00 9.33 C ATOM 963 HE1 TRP A 103 9.644 1.277 -30.596 1.00 0.00 H ATOM 964 H TRP A 103 12.733 1.783 -24.179 1.00 0.00 H ATOM 965 N ARG A 104 10.462 -1.251 -26.439 1.00 9.35 N ATOM 966 CA ARG A 104 10.560 -2.349 -27.393 1.00 8.71 C ATOM 967 C ARG A 104 9.399 -2.174 -28.355 1.00 7.98 C ATOM 968 O ARG A 104 8.293 -1.871 -27.927 1.00 9.71 O ATOM 969 CB ARG A 104 10.418 -3.695 -26.678 1.00 11.20 C ATOM 970 CG ARG A 104 11.633 -4.152 -25.877 1.00 17.79 C ATOM 971 CD ARG A 104 11.399 -5.567 -25.340 1.00 22.67 C ATOM 972 NE ARG A 104 12.577 -6.165 -24.711 1.00 21.17 N ATOM 973 CZ ARG A 104 12.839 -7.471 -24.708 1.00 9.93 C ATOM 974 NH1 ARG A 104 12.019 -8.319 -25.312 1.00 16.85 N ATOM 975 NH2 ARG A 104 13.924 -7.931 -24.115 1.00 15.29 N ATOM 976 HE ARG A 104 13.252 -5.531 -24.237 1.00 0.00 H ATOM 977 HH12 ARG A 104 12.228 -9.338 -25.307 1.00 0.00 H ATOM 978 HH11 ARG A 104 11.166 -7.966 -25.791 1.00 0.00 H ATOM 979 HH22 ARG A 104 14.124 -8.952 -24.116 1.00 0.00 H ATOM 980 HH21 ARG A 104 14.579 -7.273 -23.647 1.00 0.00 H ATOM 981 H ARG A 104 9.545 -1.066 -25.984 1.00 0.00 H ATOM 982 N PRO A 105 9.635 -2.372 -29.659 1.00 7.35 N ATOM 983 CA PRO A 105 8.546 -2.198 -30.630 1.00 7.92 C ATOM 984 C PRO A 105 7.286 -3.006 -30.321 1.00 9.79 C ATOM 985 O PRO A 105 6.197 -2.546 -30.659 1.00 11.07 O ATOM 986 CB PRO A 105 9.192 -2.632 -31.947 1.00 8.88 C ATOM 987 CG PRO A 105 10.614 -2.201 -31.777 1.00 11.30 C ATOM 988 CD PRO A 105 10.942 -2.496 -30.313 1.00 9.20 C ATOM 989 N ALA A 106 7.414 -4.156 -29.664 1.00 10.87 N ATOM 990 CA ALA A 106 6.257 -4.998 -29.371 1.00 12.58 C ATOM 991 C ALA A 106 5.321 -4.442 -28.308 1.00 9.67 C ATOM 992 O ALA A 106 4.197 -4.932 -28.165 1.00 12.24 O ATOM 993 CB ALA A 106 6.719 -6.394 -28.967 1.00 13.02 C ATOM 994 H ALA A 106 8.358 -4.462 -29.352 1.00 0.00 H ATOM 995 N ILE A 107 5.773 -3.442 -27.549 1.00 9.09 N ATOM 996 CA ILE A 107 4.971 -2.907 -26.451 1.00 9.18 C ATOM 997 C ILE A 107 3.679 -2.291 -27.005 1.00 8.23 C ATOM 998 O ILE A 107 3.704 -1.548 -27.997 1.00 11.95 O ATOM 999 CB ILE A 107 5.783 -1.870 -25.638 1.00 6.78 C ATOM 1000 CG1 ILE A 107 6.961 -2.537 -24.932 1.00 8.98 C ATOM 1001 CG2 ILE A 107 4.915 -1.144 -24.628 1.00 8.05 C ATOM 1002 CD1 ILE A 107 7.846 -1.554 -24.140 1.00 11.81 C ATOM 1003 H ILE A 107 6.711 -3.037 -27.742 1.00 0.00 H ATOM 1004 N THR A 108 2.556 -2.623 -26.370 1.00 10.43 N ATOM 1005 CA THR A 108 1.233 -2.213 -26.835 1.00 10.20 C ATOM 1006 C THR A 108 0.734 -0.980 -26.111 1.00 10.89 C ATOM 1007 O THR A 108 1.273 -0.598 -25.066 1.00 9.56 O ATOM 1008 CB THR A 108 0.206 -3.310 -26.590 1.00 8.65 C ATOM 1009 OG1 THR A 108 0.063 -3.527 -25.183 1.00 10.49 O ATOM 1010 CG2 THR A 108 0.654 -4.611 -27.261 1.00 14.27 C ATOM 1011 HG1 THR A 108 -0.605 -4.241 -25.027 1.00 0.00 H ATOM 1012 H THR A 108 2.624 -3.199 -25.506 1.00 0.00 H ATOM 1013 N ILE A 109 -0.293 -0.358 -26.684 1.00 10.46 N ATOM 1014 CA ILE A 109 -0.909 0.804 -26.046 1.00 9.26 C ATOM 1015 C ILE A 109 -1.432 0.449 -24.653 1.00 12.04 C ATOM 1016 O ILE A 109 -1.245 1.220 -23.708 1.00 10.29 O ATOM 1017 CB ILE A 109 -2.020 1.417 -26.924 1.00 9.91 C ATOM 1018 CG1 ILE A 109 -1.394 2.083 -28.148 1.00 14.61 C ATOM 1019 CG2 ILE A 109 -2.848 2.427 -26.129 1.00 15.79 C ATOM 1020 CD1 ILE A 109 -2.399 2.733 -29.103 1.00 17.61 C ATOM 1021 H ILE A 109 -0.661 -0.702 -27.594 1.00 0.00 H ATOM 1022 N LYS A 110 -2.060 -0.723 -24.512 1.00 11.01 N ATOM 1023 CA LYS A 110 -2.503 -1.175 -23.201 1.00 10.46 C ATOM 1024 C LYS A 110 -1.343 -1.261 -22.212 1.00 8.32 C ATOM 1025 O LYS A 110 -1.463 -0.809 -21.077 1.00 9.94 O ATOM 1026 CB LYS A 110 -3.227 -2.524 -23.295 1.00 16.80 C ATOM 1027 CG LYS A 110 -3.608 -3.101 -21.946 1.00 17.20 C ATOM 1028 CD LYS A 110 -4.655 -4.206 -22.064 1.00 22.40 C ATOM 1029 CE LYS A 110 -4.138 -5.401 -22.816 1.00 30.46 C ATOM 1030 NZ LYS A 110 -4.914 -6.619 -22.434 1.00 49.00 N ATOM 1031 HZ1 LYS A 110 -4.813 -6.787 -21.413 1.00 0.00 H ATOM 1032 HZ2 LYS A 110 -5.918 -6.476 -22.666 1.00 0.00 H ATOM 1033 HZ3 LYS A 110 -4.549 -7.440 -22.959 1.00 0.00 H ATOM 1034 H LYS A 110 -2.234 -1.318 -25.347 1.00 0.00 H ATOM 1035 N GLN A 111 -0.218 -1.829 -22.637 1.00 8.77 N ATOM 1036 CA GLN A 111 0.945 -1.904 -21.757 1.00 8.57 C ATOM 1037 C GLN A 111 1.492 -0.523 -21.371 1.00 8.32 C ATOM 1038 O GLN A 111 1.921 -0.324 -20.232 1.00 10.03 O ATOM 1039 CB GLN A 111 2.035 -2.790 -22.377 1.00 9.28 C ATOM 1040 CG GLN A 111 1.673 -4.272 -22.321 1.00 10.29 C ATOM 1041 CD GLN A 111 2.623 -5.130 -23.119 1.00 17.77 C ATOM 1042 OE1 GLN A 111 3.159 -4.699 -24.135 1.00 13.73 O ATOM 1043 NE2 GLN A 111 2.851 -6.357 -22.650 1.00 32.67 N ATOM 1044 HE22 GLN A 111 2.374 -6.680 -21.784 1.00 0.00 H ATOM 1045 HE21 GLN A 111 3.506 -6.991 -23.150 1.00 0.00 H ATOM 1046 H GLN A 111 -0.166 -2.221 -23.599 1.00 0.00 H ATOM 1047 N ILE A 112 1.472 0.421 -22.309 1.00 8.06 N ATOM 1048 CA ILE A 112 1.906 1.784 -22.019 1.00 7.29 C ATOM 1049 C ILE A 112 0.999 2.425 -20.983 1.00 8.00 C ATOM 1050 O ILE A 112 1.471 2.978 -19.997 1.00 9.32 O ATOM 1051 CB ILE A 112 1.915 2.646 -23.296 1.00 6.84 C ATOM 1052 CG1 ILE A 112 3.009 2.162 -24.241 1.00 11.54 C ATOM 1053 CG2 ILE A 112 2.116 4.127 -22.939 1.00 10.44 C ATOM 1054 CD1 ILE A 112 2.953 2.802 -25.602 1.00 10.00 C ATOM 1055 H ILE A 112 1.141 0.183 -23.266 1.00 0.00 H ATOM 1056 N LEU A 113 -0.309 2.337 -21.198 1.00 7.52 N ATOM 1057 CA LEU A 113 -1.228 2.987 -20.272 1.00 8.56 C ATOM 1058 C LEU A 113 -1.235 2.337 -18.889 1.00 8.78 C ATOM 1059 O LEU A 113 -1.338 3.040 -17.878 1.00 8.40 O ATOM 1060 CB LEU A 113 -2.629 3.070 -20.871 1.00 8.10 C ATOM 1061 CG LEU A 113 -2.736 3.966 -22.101 1.00 7.70 C ATOM 1062 CD1 LEU A 113 -4.109 3.834 -22.731 1.00 11.53 C ATOM 1063 CD2 LEU A 113 -2.470 5.427 -21.700 1.00 9.34 C ATOM 1064 H LEU A 113 -0.673 1.810 -22.018 1.00 0.00 H ATOM 1065 N LEU A 114 -1.094 1.012 -18.827 1.00 10.16 N ATOM 1066 CA LEU A 114 -0.964 0.354 -17.532 1.00 9.17 C ATOM 1067 C LEU A 114 0.368 0.705 -16.879 1.00 10.06 C ATOM 1068 O LEU A 114 0.446 0.839 -15.645 1.00 11.75 O ATOM 1069 CB LEU A 114 -1.101 -1.161 -17.678 1.00 9.10 C ATOM 1070 CG LEU A 114 -2.535 -1.628 -17.923 1.00 13.41 C ATOM 1071 CD1 LEU A 114 -2.550 -3.087 -18.322 1.00 18.40 C ATOM 1072 CD2 LEU A 114 -3.392 -1.406 -16.686 1.00 16.54 C ATOM 1073 H LEU A 114 -1.077 0.449 -19.701 1.00 0.00 H ATOM 1074 N GLY A 115 1.406 0.872 -17.697 1.00 8.57 N ATOM 1075 CA GLY A 115 2.702 1.281 -17.193 1.00 10.06 C ATOM 1076 C GLY A 115 2.660 2.662 -16.581 1.00 11.43 C ATOM 1077 O GLY A 115 3.256 2.894 -15.516 1.00 10.30 O ATOM 1078 H GLY A 115 1.284 0.706 -18.716 1.00 0.00 H ATOM 1079 N ILE A 116 1.947 3.580 -17.234 1.00 8.48 N ATOM 1080 CA ILE A 116 1.806 4.929 -16.695 1.00 6.35 C ATOM 1081 C ILE A 116 0.938 4.917 -15.443 1.00 10.23 C ATOM 1082 O ILE A 116 1.239 5.611 -14.469 1.00 8.78 O ATOM 1083 CB ILE A 116 1.244 5.903 -17.761 1.00 6.90 C ATOM 1084 CG1 ILE A 116 2.245 6.043 -18.905 1.00 9.00 C ATOM 1085 CG2 ILE A 116 1.016 7.286 -17.158 1.00 9.68 C ATOM 1086 CD1 ILE A 116 1.719 6.803 -20.117 1.00 8.02 C ATOM 1087 H ILE A 116 1.488 3.333 -18.134 1.00 0.00 H ATOM 1088 N GLN A 117 -0.126 4.117 -15.431 1.00 7.85 N ATOM 1089 CA GLN A 117 -0.929 4.036 -14.207 1.00 9.74 C ATOM 1090 C GLN A 117 -0.086 3.549 -13.031 1.00 10.14 C ATOM 1091 O GLN A 117 -0.209 4.055 -11.911 1.00 9.81 O ATOM 1092 CB GLN A 117 -2.137 3.125 -14.392 1.00 8.59 C ATOM 1093 CG GLN A 117 -3.086 3.168 -13.191 1.00 8.89 C ATOM 1094 CD GLN A 117 -4.100 2.043 -13.200 1.00 10.93 C ATOM 1095 OE1 GLN A 117 -3.752 0.888 -13.466 1.00 13.58 O ATOM 1096 NE2 GLN A 117 -5.363 2.373 -12.916 1.00 11.68 N ATOM 1097 HE22 GLN A 117 -5.606 3.360 -12.698 1.00 0.00 H ATOM 1098 HE21 GLN A 117 -6.103 1.642 -12.913 1.00 0.00 H ATOM 1099 H GLN A 117 -0.382 3.561 -16.272 1.00 0.00 H ATOM 1100 N GLU A 118 0.765 2.563 -13.279 1.00 10.46 N ATOM 1101 CA GLU A 118 1.638 2.051 -12.231 1.00 9.81 C ATOM 1102 C GLU A 118 2.592 3.129 -11.748 1.00 13.04 C ATOM 1103 O GLU A 118 2.843 3.256 -10.544 1.00 14.11 O ATOM 1104 CB GLU A 118 2.404 0.825 -12.734 1.00 14.11 C ATOM 1105 CG GLU A 118 3.390 0.240 -11.732 1.00 21.63 C ATOM 1106 CD GLU A 118 4.197 -0.909 -12.318 1.00 42.60 C ATOM 1107 OE1 GLU A 118 4.716 -0.764 -13.450 1.00 44.28 O ATOM 1108 OE2 GLU A 118 4.308 -1.959 -11.649 1.00 61.96 O ATOM 1109 H GLU A 118 0.810 2.150 -14.233 1.00 0.00 H ATOM 1110 N LEU A 119 3.109 3.921 -12.680 1.00 9.68 N ATOM 1111 CA LEU A 119 4.028 4.996 -12.339 1.00 10.07 C ATOM 1112 C LEU A 119 3.334 6.021 -11.440 1.00 12.79 C ATOM 1113 O LEU A 119 3.952 6.525 -10.502 1.00 11.14 O ATOM 1114 CB LEU A 119 4.557 5.661 -13.616 1.00 9.68 C ATOM 1115 CG LEU A 119 5.440 6.900 -13.455 1.00 10.25 C ATOM 1116 CD1 LEU A 119 6.752 6.553 -12.763 1.00 14.14 C ATOM 1117 CD2 LEU A 119 5.694 7.553 -14.816 1.00 11.63 C ATOM 1118 H LEU A 119 2.851 3.769 -13.676 1.00 0.00 H ATOM 1119 N LEU A 120 2.062 6.321 -11.720 1.00 11.65 N ATOM 1120 CA LEU A 120 1.338 7.333 -10.950 1.00 9.41 C ATOM 1121 C LEU A 120 1.393 6.981 -9.470 1.00 10.75 C ATOM 1122 O LEU A 120 1.706 7.829 -8.630 1.00 12.38 O ATOM 1123 CB LEU A 120 -0.114 7.476 -11.415 1.00 11.52 C ATOM 1124 CG LEU A 120 -0.351 8.148 -12.767 1.00 14.20 C ATOM 1125 CD1 LEU A 120 -1.842 8.196 -13.085 1.00 19.97 C ATOM 1126 CD2 LEU A 120 0.259 9.545 -12.804 1.00 13.47 C ATOM 1127 H LEU A 120 1.579 5.827 -12.498 1.00 0.00 H ATOM 1128 N ASN A 121 1.137 5.721 -9.148 1.00 13.67 N ATOM 1129 CA ASN A 121 1.104 5.343 -7.744 1.00 19.52 C ATOM 1130 C ASN A 121 2.462 4.948 -7.161 1.00 14.15 C ATOM 1131 O ASN A 121 2.585 4.748 -5.947 1.00 19.68 O ATOM 1132 CB ASN A 121 0.073 4.239 -7.504 1.00 30.73 C ATOM 1133 CG ASN A 121 -0.217 4.030 -6.033 1.00 28.56 C ATOM 1134 OD1 ASN A 121 -0.371 4.994 -5.270 1.00 26.24 O ATOM 1135 ND2 ASN A 121 -0.248 2.770 -5.613 1.00 37.34 N ATOM 1136 HD22 ASN A 121 -0.114 1.993 -6.291 1.00 0.00 H ATOM 1137 HD21 ASN A 121 -0.407 2.561 -4.607 1.00 0.00 H ATOM 1138 H ASN A 121 0.962 5.013 -9.889 1.00 0.00 H ATOM 1139 N GLU A 122 3.488 4.850 -8.004 1.00 12.73 N ATOM 1140 CA GLU A 122 4.816 4.512 -7.511 1.00 13.61 C ATOM 1141 C GLU A 122 5.913 5.274 -8.238 1.00 12.07 C ATOM 1142 O GLU A 122 6.480 4.797 -9.226 1.00 13.67 O ATOM 1143 CB GLU A 122 5.063 3.004 -7.570 1.00 17.93 C ATOM 1144 CG GLU A 122 6.392 2.559 -6.945 1.00 25.09 C ATOM 1145 CD GLU A 122 6.559 2.956 -5.473 1.00 39.84 C ATOM 1146 OE1 GLU A 122 5.569 3.335 -4.802 1.00 30.69 O ATOM 1147 OE2 GLU A 122 7.707 2.882 -4.983 1.00 43.73 O ATOM 1148 H GLU A 122 3.340 5.016 -9.020 1.00 0.00 H ATOM 1149 N PRO A 123 6.219 6.470 -7.741 1.00 12.75 N ATOM 1150 CA PRO A 123 7.219 7.314 -8.399 1.00 13.51 C ATOM 1151 C PRO A 123 8.611 6.686 -8.400 1.00 16.53 C ATOM 1152 O PRO A 123 8.937 5.872 -7.524 1.00 18.78 O ATOM 1153 CB PRO A 123 7.206 8.589 -7.549 1.00 13.00 C ATOM 1154 CG PRO A 123 5.835 8.638 -6.971 1.00 14.16 C ATOM 1155 CD PRO A 123 5.526 7.183 -6.655 1.00 12.74 C ATOM 1156 N ASN A 124 9.401 7.037 -9.411 1.00 14.50 N ATOM 1157 CA ASN A 124 10.785 6.600 -9.516 1.00 14.29 C ATOM 1158 C ASN A 124 11.706 7.716 -9.038 1.00 16.04 C ATOM 1159 O ASN A 124 11.930 8.684 -9.761 1.00 17.31 O ATOM 1160 CB ASN A 124 11.110 6.231 -10.967 1.00 13.23 C ATOM 1161 CG ASN A 124 10.432 4.945 -11.414 1.00 19.27 C ATOM 1162 OD1 ASN A 124 10.444 3.942 -10.698 1.00 25.84 O ATOM 1163 ND2 ASN A 124 9.841 4.966 -12.606 1.00 14.68 N ATOM 1164 HD22 ASN A 124 9.855 5.834 -13.178 1.00 0.00 H ATOM 1165 HD21 ASN A 124 9.365 4.114 -12.966 1.00 0.00 H ATOM 1166 H ASN A 124 9.013 7.649 -10.157 1.00 0.00 H ATOM 1167 N ILE A 125 12.224 7.587 -7.816 1.00 16.04 N ATOM 1168 CA ILE A 125 13.053 8.639 -7.219 1.00 20.32 C ATOM 1169 C ILE A 125 14.350 8.900 -7.970 1.00 27.29 C ATOM 1170 O ILE A 125 15.003 9.916 -7.734 1.00 30.05 O ATOM 1171 CB ILE A 125 13.419 8.330 -5.745 1.00 31.08 C ATOM 1172 CG1 ILE A 125 14.320 7.090 -5.663 1.00 37.36 C ATOM 1173 CG2 ILE A 125 12.164 8.181 -4.906 1.00 34.79 C ATOM 1174 CD1 ILE A 125 15.071 6.960 -4.348 1.00 52.27 C ATOM 1175 H ILE A 125 12.036 6.720 -7.274 1.00 0.00 H ATOM 1176 N GLN A 126 14.717 7.989 -8.869 1.00 21.97 N ATOM 1177 CA GLN A 126 15.952 8.121 -9.641 1.00 25.59 C ATOM 1178 C GLN A 126 15.847 9.028 -10.874 1.00 32.69 C ATOM 1179 O GLN A 126 16.852 9.599 -11.298 1.00 43.95 O ATOM 1180 CB GLN A 126 16.465 6.744 -10.065 1.00 35.80 C ATOM 1181 CG GLN A 126 16.805 5.812 -8.911 1.00 55.12 C ATOM 1182 CD GLN A 126 16.554 4.355 -9.260 1.00 71.25 C ATOM 1183 OE1 GLN A 126 17.331 3.731 -9.987 1.00 65.53 O ATOM 1184 NE2 GLN A 126 15.456 3.806 -8.747 1.00 69.51 N ATOM 1185 HE22 GLN A 126 14.828 4.369 -8.138 1.00 0.00 H ATOM 1186 HE21 GLN A 126 15.225 2.813 -8.955 1.00 0.00 H ATOM 1187 H GLN A 126 14.108 7.160 -9.027 1.00 0.00 H ATOM 1188 N ASP A 127 14.661 9.153 -11.468 1.00 27.09 N ATOM 1189 CA ASP A 127 14.505 10.111 -12.572 1.00 30.54 C ATOM 1190 C ASP A 127 13.468 11.192 -12.292 1.00 16.36 C ATOM 1191 O ASP A 127 12.377 11.187 -12.868 1.00 23.41 O ATOM 1192 CB ASP A 127 14.287 9.445 -13.952 1.00 51.38 C ATOM 1193 CG ASP A 127 13.151 8.438 -13.962 1.00 43.55 C ATOM 1194 OD1 ASP A 127 13.024 7.674 -12.990 1.00 60.85 O ATOM 1195 OD2 ASP A 127 12.397 8.388 -14.959 1.00 51.58 O ATOM 1196 H ASP A 127 13.853 8.578 -11.154 1.00 0.00 H ATOM 1197 N PRO A 128 13.816 12.142 -11.402 1.00 14.48 N ATOM 1198 CA PRO A 128 12.936 13.275 -11.127 1.00 13.46 C ATOM 1199 C PRO A 128 12.752 14.120 -12.370 1.00 17.70 C ATOM 1200 O PRO A 128 13.726 14.454 -13.061 1.00 16.95 O ATOM 1201 CB PRO A 128 13.696 14.062 -10.047 1.00 23.33 C ATOM 1202 CG PRO A 128 15.115 13.654 -10.209 1.00 27.27 C ATOM 1203 CD PRO A 128 15.066 12.220 -10.626 1.00 27.32 C ATOM 1204 N ALA A 129 11.497 14.433 -12.668 1.00 10.47 N ATOM 1205 CA ALA A 129 11.169 15.256 -13.834 1.00 8.88 C ATOM 1206 C ALA A 129 10.628 16.624 -13.445 1.00 10.03 C ATOM 1207 O ALA A 129 10.667 17.566 -14.251 1.00 16.76 O ATOM 1208 CB ALA A 129 10.172 14.533 -14.725 1.00 11.42 C ATOM 1209 H ALA A 129 10.729 14.086 -12.059 1.00 0.00 H ATOM 1210 N GLN A 130 10.085 16.745 -12.239 1.00 11.29 N ATOM 1211 CA GLN A 130 9.661 18.061 -11.787 1.00 12.13 C ATOM 1212 C GLN A 130 10.079 18.309 -10.347 1.00 15.72 C ATOM 1213 O GLN A 130 9.931 17.452 -9.477 1.00 20.29 O ATOM 1214 CB GLN A 130 8.164 18.264 -11.976 1.00 20.29 C ATOM 1215 CG GLN A 130 7.311 17.416 -11.091 1.00 14.51 C ATOM 1216 CD GLN A 130 5.898 17.960 -10.992 1.00 20.09 C ATOM 1217 OE1 GLN A 130 5.552 18.643 -10.027 1.00 27.98 O ATOM 1218 NE2 GLN A 130 5.077 17.665 -11.992 1.00 12.84 N ATOM 1219 HE22 GLN A 130 5.413 17.085 -12.787 1.00 0.00 H ATOM 1220 HE21 GLN A 130 4.097 18.014 -11.981 1.00 0.00 H ATOM 1221 H GLN A 130 9.965 15.912 -11.628 1.00 0.00 H ATOM 1222 N ALA A 131 10.607 19.501 -10.110 1.00 14.82 N ATOM 1223 CA ALA A 131 11.195 19.836 -8.824 1.00 14.03 C ATOM 1224 C ALA A 131 10.229 19.759 -7.643 1.00 14.09 C ATOM 1225 O ALA A 131 10.548 19.137 -6.625 1.00 16.13 O ATOM 1226 CB ALA A 131 11.828 21.212 -8.900 1.00 17.33 C ATOM 1227 H ALA A 131 10.600 20.216 -10.865 1.00 0.00 H ATOM 1228 N GLU A 132 9.061 20.383 -7.771 1.00 17.02 N ATOM 1229 CA GLU A 132 8.150 20.497 -6.628 1.00 22.22 C ATOM 1230 C GLU A 132 7.663 19.147 -6.115 1.00 14.17 C ATOM 1231 O GLU A 132 7.842 18.825 -4.940 1.00 14.17 O ATOM 1232 CB GLU A 132 6.954 21.394 -6.956 1.00 25.21 C ATOM 1233 CG GLU A 132 6.343 22.034 -5.703 1.00 28.29 C ATOM 1234 CD GLU A 132 4.851 22.303 -5.818 1.00 49.20 C ATOM 1235 OE1 GLU A 132 4.269 22.074 -6.901 1.00 37.79 O ATOM 1236 OE2 GLU A 132 4.257 22.739 -4.808 1.00 48.91 O ATOM 1237 H GLU A 132 8.792 20.793 -8.688 1.00 0.00 H ATOM 1238 N ALA A 133 7.052 18.349 -6.988 1.00 15.06 N ATOM 1239 CA ALA A 133 6.518 17.064 -6.558 1.00 13.36 C ATOM 1240 C ALA A 133 7.607 16.139 -6.030 1.00 14.76 C ATOM 1241 O ALA A 133 7.389 15.407 -5.065 1.00 13.64 O ATOM 1242 CB ALA A 133 5.747 16.392 -7.691 1.00 11.36 C ATOM 1243 H ALA A 133 6.956 18.644 -7.981 1.00 0.00 H ATOM 1244 N TYR A 134 8.768 16.151 -6.675 1.00 12.19 N ATOM 1245 CA TYR A 134 9.883 15.337 -6.221 1.00 13.77 C ATOM 1246 C TYR A 134 10.336 15.756 -4.819 1.00 14.68 C ATOM 1247 O TYR A 134 10.519 14.913 -3.945 1.00 14.67 O ATOM 1248 CB TYR A 134 11.043 15.412 -7.211 1.00 16.89 C ATOM 1249 CG TYR A 134 12.296 14.730 -6.715 1.00 21.33 C ATOM 1250 CD1 TYR A 134 12.445 13.353 -6.815 1.00 35.80 C ATOM 1251 CD2 TYR A 134 13.335 15.465 -6.158 1.00 29.78 C ATOM 1252 CE1 TYR A 134 13.589 12.726 -6.366 1.00 28.83 C ATOM 1253 CE2 TYR A 134 14.480 14.845 -5.708 1.00 41.19 C ATOM 1254 CZ TYR A 134 14.597 13.476 -5.813 1.00 25.13 C ATOM 1255 OH TYR A 134 15.735 12.847 -5.369 1.00 68.27 O ATOM 1256 HH TYR A 134 15.853 13.024 -4.402 1.00 0.00 H ATOM 1257 H TYR A 134 8.881 16.751 -7.517 1.00 0.00 H ATOM 1258 N THR A 135 10.498 17.058 -4.608 1.00 15.24 N ATOM 1259 CA THR A 135 10.936 17.557 -3.306 1.00 16.16 C ATOM 1260 C THR A 135 9.939 17.221 -2.199 1.00 17.66 C ATOM 1261 O THR A 135 10.329 16.805 -1.103 1.00 17.06 O ATOM 1262 CB THR A 135 11.183 19.070 -3.359 1.00 17.72 C ATOM 1263 OG1 THR A 135 12.231 19.340 -4.304 1.00 22.88 O ATOM 1264 CG2 THR A 135 11.579 19.594 -1.988 1.00 24.92 C ATOM 1265 HG1 THR A 135 11.959 19.014 -5.198 1.00 0.00 H ATOM 1266 H THR A 135 10.311 17.730 -5.379 1.00 0.00 H ATOM 1267 N ILE A 136 8.649 17.381 -2.479 1.00 11.81 N ATOM 1268 CA ILE A 136 7.643 17.059 -1.467 1.00 11.37 C ATOM 1269 C ILE A 136 7.603 15.554 -1.188 1.00 14.54 C ATOM 1270 O ILE A 136 7.498 15.127 -0.038 1.00 14.03 O ATOM 1271 CB ILE A 136 6.251 17.596 -1.857 1.00 12.38 C ATOM 1272 CG1 ILE A 136 6.288 19.125 -1.954 1.00 14.40 C ATOM 1273 CG2 ILE A 136 5.189 17.169 -0.826 1.00 15.10 C ATOM 1274 CD1 ILE A 136 5.037 19.740 -2.532 1.00 17.16 C ATOM 1275 H ILE A 136 8.357 17.733 -3.413 1.00 0.00 H ATOM 1276 N TYR A 137 7.719 14.745 -2.237 1.00 12.49 N ATOM 1277 CA TYR A 137 7.748 13.298 -2.078 1.00 14.75 C ATOM 1278 C TYR A 137 8.871 12.889 -1.135 1.00 16.35 C ATOM 1279 O TYR A 137 8.679 12.028 -0.274 1.00 19.87 O ATOM 1280 CB TYR A 137 7.947 12.628 -3.442 1.00 12.43 C ATOM 1281 CG TYR A 137 7.745 11.134 -3.432 1.00 11.36 C ATOM 1282 CD1 TYR A 137 6.471 10.590 -3.375 1.00 13.32 C ATOM 1283 CD2 TYR A 137 8.824 10.269 -3.483 1.00 21.37 C ATOM 1284 CE1 TYR A 137 6.276 9.227 -3.375 1.00 17.45 C ATOM 1285 CE2 TYR A 137 8.641 8.902 -3.479 1.00 21.30 C ATOM 1286 CZ TYR A 137 7.366 8.389 -3.421 1.00 17.94 C ATOM 1287 OH TYR A 137 7.168 7.021 -3.413 1.00 24.81 O ATOM 1288 HH TYR A 137 6.198 6.829 -3.369 1.00 0.00 H ATOM 1289 H TYR A 137 7.790 15.154 -3.190 1.00 0.00 H ATOM 1290 N CYS A 138 10.036 13.511 -1.300 1.00 16.61 N ATOM 1291 CA CYS A 138 11.202 13.194 -0.478 1.00 19.84 C ATOM 1292 C CYS A 138 11.105 13.733 0.943 1.00 19.34 C ATOM 1293 O CYS A 138 11.580 13.091 1.888 1.00 25.68 O ATOM 1294 CB CYS A 138 12.470 13.737 -1.125 1.00 22.02 C ATOM 1295 SG CYS A 138 12.895 12.925 -2.679 1.00 26.17 S ATOM 1296 H CYS A 138 10.119 14.243 -2.034 1.00 0.00 H ATOM 1297 N GLN A 139 10.498 14.908 1.099 1.00 17.38 N ATOM 1298 CA GLN A 139 10.515 15.600 2.393 1.00 18.18 C ATOM 1299 C GLN A 139 9.333 15.290 3.308 1.00 20.65 C ATOM 1300 O GLN A 139 9.467 15.323 4.538 1.00 21.27 O ATOM 1301 CB GLN A 139 10.607 17.115 2.191 1.00 22.89 C ATOM 1302 CG GLN A 139 11.952 17.597 1.661 1.00 21.39 C ATOM 1303 CD GLN A 139 11.985 19.099 1.448 1.00 30.00 C ATOM 1304 OE1 GLN A 139 10.954 19.765 1.511 1.00 29.75 O ATOM 1305 NE2 GLN A 139 13.170 19.637 1.188 1.00 32.64 N ATOM 1306 HE22 GLN A 139 14.016 19.034 1.144 1.00 0.00 H ATOM 1307 HE21 GLN A 139 13.252 20.661 1.028 1.00 0.00 H ATOM 1308 H GLN A 139 10.005 15.341 0.292 1.00 0.00 H ATOM 1309 N ASN A 140 8.172 15.018 2.723 1.00 14.36 N ATOM 1310 CA ASN A 140 6.960 14.810 3.513 1.00 14.24 C ATOM 1311 C ASN A 140 5.950 13.973 2.736 1.00 16.87 C ATOM 1312 O ASN A 140 5.135 14.514 1.976 1.00 16.81 O ATOM 1313 CB ASN A 140 6.344 16.167 3.893 1.00 15.24 C ATOM 1314 CG ASN A 140 5.258 16.056 4.952 1.00 20.17 C ATOM 1315 OD1 ASN A 140 4.563 15.043 5.058 1.00 18.00 O ATOM 1316 ND2 ASN A 140 5.096 17.119 5.735 1.00 17.23 N ATOM 1317 HD22 ASN A 140 5.704 17.953 5.612 1.00 0.00 H ATOM 1318 HD21 ASN A 140 4.361 17.116 6.471 1.00 0.00 H ATOM 1319 H ASN A 140 8.125 14.952 1.686 1.00 0.00 H ATOM 1320 N ARG A 141 5.998 12.656 2.926 1.00 16.94 N ATOM 1321 CA ARG A 141 5.093 11.756 2.221 1.00 18.45 C ATOM 1322 C ARG A 141 3.618 12.017 2.533 1.00 16.98 C ATOM 1323 O ARG A 141 2.755 11.824 1.675 1.00 20.61 O ATOM 1324 CB ARG A 141 5.465 10.296 2.501 1.00 21.03 C ATOM 1325 CG ARG A 141 4.896 9.297 1.496 1.00 30.67 C ATOM 1326 CD ARG A 141 5.469 9.536 0.094 1.00 28.91 C ATOM 1327 NE ARG A 141 6.927 9.648 0.100 1.00 21.41 N ATOM 1328 CZ ARG A 141 7.757 8.607 0.076 1.00 28.20 C ATOM 1329 NH1 ARG A 141 7.273 7.370 0.048 1.00 30.42 N ATOM 1330 NH2 ARG A 141 9.071 8.799 0.088 1.00 32.69 N ATOM 1331 HE ARG A 141 7.342 10.601 0.125 1.00 0.00 H ATOM 1332 HH12 ARG A 141 7.922 6.558 0.029 1.00 0.00 H ATOM 1333 HH11 ARG A 141 6.245 7.214 0.045 1.00 0.00 H ATOM 1334 HH22 ARG A 141 9.716 7.983 0.069 1.00 0.00 H ATOM 1335 HH21 ARG A 141 9.455 9.765 0.116 1.00 0.00 H ATOM 1336 H ARG A 141 6.694 12.262 3.590 1.00 0.00 H ATOM 1337 N VAL A 142 3.321 12.475 3.751 1.00 19.25 N ATOM 1338 CA VAL A 142 1.945 12.796 4.118 1.00 17.69 C ATOM 1339 C VAL A 142 1.419 13.996 3.327 1.00 13.19 C ATOM 1340 O VAL A 142 0.283 13.987 2.827 1.00 17.41 O ATOM 1341 CB VAL A 142 1.810 13.076 5.635 1.00 23.18 C ATOM 1342 CG1 VAL A 142 0.392 13.505 5.968 1.00 24.84 C ATOM 1343 CG2 VAL A 142 2.206 11.844 6.444 1.00 32.50 C ATOM 1344 H VAL A 142 4.081 12.605 4.449 1.00 0.00 H ATOM 1345 N GLU A 143 2.253 15.025 3.200 1.00 14.62 N ATOM 1346 CA GLU A 143 1.879 16.196 2.421 1.00 12.27 C ATOM 1347 C GLU A 143 1.757 15.831 0.946 1.00 11.32 C ATOM 1348 O GLU A 143 0.856 16.305 0.249 1.00 13.49 O ATOM 1349 CB GLU A 143 2.904 17.312 2.609 1.00 13.85 C ATOM 1350 CG GLU A 143 2.641 18.564 1.770 1.00 19.33 C ATOM 1351 CD GLU A 143 1.403 19.343 2.194 1.00 25.29 C ATOM 1352 OE1 GLU A 143 0.850 19.064 3.283 1.00 22.22 O ATOM 1353 OE2 GLU A 143 0.985 20.247 1.433 1.00 25.17 O ATOM 1354 H GLU A 143 3.184 14.992 3.663 1.00 0.00 H ATOM 1355 N TYR A 144 2.661 14.975 0.484 1.00 13.68 N ATOM 1356 CA TYR A 144 2.605 14.522 -0.897 1.00 13.20 C ATOM 1357 C TYR A 144 1.249 13.881 -1.199 1.00 12.47 C ATOM 1358 O TYR A 144 0.597 14.241 -2.185 1.00 13.43 O ATOM 1359 CB TYR A 144 3.742 13.542 -1.179 1.00 14.19 C ATOM 1360 CG TYR A 144 3.675 12.958 -2.563 1.00 12.54 C ATOM 1361 CD1 TYR A 144 4.136 13.672 -3.655 1.00 15.48 C ATOM 1362 CD2 TYR A 144 3.132 11.703 -2.774 1.00 11.93 C ATOM 1363 CE1 TYR A 144 4.068 13.139 -4.926 1.00 12.98 C ATOM 1364 CE2 TYR A 144 3.053 11.167 -4.043 1.00 13.53 C ATOM 1365 CZ TYR A 144 3.522 11.893 -5.106 1.00 14.16 C ATOM 1366 OH TYR A 144 3.430 11.352 -6.359 1.00 12.86 O ATOM 1367 HH TYR A 144 3.938 10.503 -6.389 1.00 0.00 H ATOM 1368 H TYR A 144 3.413 14.627 1.113 1.00 0.00 H ATOM 1369 N GLU A 145 0.820 12.950 -0.352 1.00 15.41 N ATOM 1370 CA GLU A 145 -0.439 12.257 -0.601 1.00 16.57 C ATOM 1371 C GLU A 145 -1.632 13.185 -0.472 1.00 14.47 C ATOM 1372 O GLU A 145 -2.640 13.022 -1.158 1.00 16.35 O ATOM 1373 CB GLU A 145 -0.580 11.042 0.311 1.00 17.15 C ATOM 1374 CG GLU A 145 0.472 9.990 0.051 1.00 24.40 C ATOM 1375 CD GLU A 145 0.145 8.666 0.699 1.00 52.81 C ATOM 1376 OE1 GLU A 145 -0.676 8.650 1.642 1.00 46.67 O ATOM 1377 OE2 GLU A 145 0.713 7.643 0.258 1.00 47.32 O ATOM 1378 H GLU A 145 1.384 12.715 0.490 1.00 0.00 H ATOM 1379 N LYS A 146 -1.519 14.173 0.411 1.00 13.69 N ATOM 1380 CA LYS A 146 -2.548 15.194 0.519 1.00 17.97 C ATOM 1381 C LYS A 146 -2.724 15.933 -0.807 1.00 13.41 C ATOM 1382 O LYS A 146 -3.849 16.153 -1.272 1.00 15.16 O ATOM 1383 CB LYS A 146 -2.179 16.168 1.633 1.00 18.05 C ATOM 1384 CG LYS A 146 -3.196 17.267 1.858 1.00 24.03 C ATOM 1385 CD LYS A 146 -2.802 18.104 3.062 1.00 23.58 C ATOM 1386 CE LYS A 146 -3.615 19.367 3.143 1.00 28.63 C ATOM 1387 NZ LYS A 146 -3.176 20.193 4.308 1.00 26.02 N ATOM 1388 HZ1 LYS A 146 -3.305 19.649 5.185 1.00 0.00 H ATOM 1389 HZ2 LYS A 146 -2.172 20.441 4.197 1.00 0.00 H ATOM 1390 HZ3 LYS A 146 -3.747 21.061 4.350 1.00 0.00 H ATOM 1391 H LYS A 146 -0.685 14.216 1.031 1.00 0.00 H ATOM 1392 N ARG A 147 -1.601 16.300 -1.423 1.00 13.87 N ATOM 1393 CA ARG A 147 -1.623 16.970 -2.716 1.00 15.70 C ATOM 1394 C ARG A 147 -2.181 16.052 -3.801 1.00 8.89 C ATOM 1395 O ARG A 147 -2.923 16.504 -4.672 1.00 12.19 O ATOM 1396 CB ARG A 147 -0.215 17.450 -3.100 1.00 17.39 C ATOM 1397 CG ARG A 147 0.322 18.599 -2.244 1.00 19.12 C ATOM 1398 CD ARG A 147 -0.327 19.927 -2.628 1.00 22.74 C ATOM 1399 NE ARG A 147 -0.043 20.324 -4.010 1.00 21.97 N ATOM 1400 CZ ARG A 147 1.066 20.958 -4.398 1.00 25.27 C ATOM 1401 NH1 ARG A 147 2.011 21.263 -3.518 1.00 23.56 N ATOM 1402 NH2 ARG A 147 1.237 21.287 -5.668 1.00 21.66 N ATOM 1403 HE ARG A 147 -0.752 20.097 -4.736 1.00 0.00 H ATOM 1404 HH12 ARG A 147 2.872 21.757 -3.829 1.00 0.00 H ATOM 1405 HH11 ARG A 147 1.891 21.008 -2.517 1.00 0.00 H ATOM 1406 HH22 ARG A 147 2.103 21.781 -5.965 1.00 0.00 H ATOM 1407 HH21 ARG A 147 0.506 21.052 -6.369 1.00 0.00 H ATOM 1408 H ARG A 147 -0.686 16.103 -0.969 1.00 0.00 H ATOM 1409 N VAL A 148 -1.818 14.774 -3.749 1.00 12.75 N ATOM 1410 CA VAL A 148 -2.339 13.817 -4.723 1.00 15.46 C ATOM 1411 C VAL A 148 -3.864 13.653 -4.615 1.00 14.90 C ATOM 1412 O VAL A 148 -4.558 13.636 -5.630 1.00 13.32 O ATOM 1413 CB VAL A 148 -1.627 12.468 -4.630 1.00 12.32 C ATOM 1414 CG1 VAL A 148 -2.293 11.458 -5.551 1.00 12.56 C ATOM 1415 CG2 VAL A 148 -0.153 12.621 -5.032 1.00 16.78 C ATOM 1416 H VAL A 148 -1.159 14.453 -3.011 1.00 0.00 H ATOM 1417 N ARG A 149 -4.377 13.552 -3.391 1.00 14.76 N ATOM 1418 CA ARG A 149 -5.819 13.395 -3.201 1.00 14.41 C ATOM 1419 C ARG A 149 -6.608 14.619 -3.659 1.00 13.14 C ATOM 1420 O ARG A 149 -7.692 14.478 -4.222 1.00 14.62 O ATOM 1421 CB ARG A 149 -6.156 13.048 -1.743 1.00 12.27 C ATOM 1422 CG ARG A 149 -5.607 11.704 -1.269 1.00 16.77 C ATOM 1423 CD ARG A 149 -6.182 11.319 0.094 1.00 20.99 C ATOM 1424 NE ARG A 149 -5.994 12.381 1.075 1.00 21.68 N ATOM 1425 CZ ARG A 149 -4.945 12.474 1.887 1.00 14.73 C ATOM 1426 NH1 ARG A 149 -3.985 11.557 1.853 1.00 30.21 N ATOM 1427 NH2 ARG A 149 -4.860 13.479 2.745 1.00 29.39 N ATOM 1428 HE ARG A 149 -6.729 13.114 1.144 1.00 0.00 H ATOM 1429 HH12 ARG A 149 -3.167 11.636 2.491 1.00 0.00 H ATOM 1430 HH11 ARG A 149 -4.051 10.760 1.188 1.00 0.00 H ATOM 1431 HH22 ARG A 149 -4.040 13.552 3.380 1.00 0.00 H ATOM 1432 HH21 ARG A 149 -5.613 14.195 2.784 1.00 0.00 H ATOM 1433 H ARG A 149 -3.748 13.585 -2.563 1.00 0.00 H ATOM 1434 N ALA A 150 -6.066 15.817 -3.427 1.00 12.15 N ATOM 1435 CA ALA A 150 -6.697 17.046 -3.896 1.00 17.15 C ATOM 1436 C ALA A 150 -6.755 17.053 -5.423 1.00 13.52 C ATOM 1437 O ALA A 150 -7.758 17.436 -6.030 1.00 15.66 O ATOM 1438 CB ALA A 150 -5.931 18.259 -3.397 1.00 16.30 C ATOM 1439 H ALA A 150 -5.172 15.875 -2.899 1.00 0.00 H ATOM 1440 N GLN A 151 -5.662 16.618 -6.039 1.00 15.59 N ATOM 1441 CA GLN A 151 -5.597 16.537 -7.484 1.00 16.04 C ATOM 1442 C GLN A 151 -6.569 15.507 -8.039 1.00 12.38 C ATOM 1443 O GLN A 151 -7.173 15.734 -9.085 1.00 13.44 O ATOM 1444 CB GLN A 151 -4.173 16.203 -7.907 1.00 13.21 C ATOM 1445 CG GLN A 151 -3.983 16.066 -9.405 1.00 13.66 C ATOM 1446 CD GLN A 151 -2.526 15.982 -9.750 1.00 11.47 C ATOM 1447 OE1 GLN A 151 -1.968 16.918 -10.329 1.00 14.14 O ATOM 1448 NE2 GLN A 151 -1.884 14.882 -9.366 1.00 12.43 N ATOM 1449 HE22 GLN A 151 -2.401 14.121 -8.881 1.00 0.00 H ATOM 1450 HE21 GLN A 151 -0.865 14.783 -9.551 1.00 0.00 H ATOM 1451 H GLN A 151 -4.838 16.330 -5.474 1.00 0.00 H ATOM 1452 N ALA A 152 -6.724 14.386 -7.339 1.00 12.36 N ATOM 1453 CA ALA A 152 -7.638 13.344 -7.798 1.00 11.81 C ATOM 1454 C ALA A 152 -9.070 13.861 -7.743 1.00 16.49 C ATOM 1455 O ALA A 152 -9.879 13.594 -8.634 1.00 16.46 O ATOM 1456 CB ALA A 152 -7.484 12.088 -6.961 1.00 12.45 C ATOM 1457 H ALA A 152 -6.189 14.251 -6.457 1.00 0.00 H ATOM 1458 N LYS A 153 -9.388 14.586 -6.676 1.00 15.39 N ATOM 1459 CA LYS A 153 -10.706 15.200 -6.566 1.00 17.84 C ATOM 1460 C LYS A 153 -10.950 16.205 -7.687 1.00 16.44 C ATOM 1461 O LYS A 153 -12.034 16.249 -8.273 1.00 20.52 O ATOM 1462 CB LYS A 153 -10.869 15.866 -5.200 1.00 19.40 C ATOM 1463 CG LYS A 153 -12.201 16.566 -5.026 1.00 28.99 C ATOM 1464 CD LYS A 153 -12.585 16.628 -3.559 1.00 39.83 C ATOM 1465 CE LYS A 153 -14.092 16.763 -3.397 1.00 45.78 C ATOM 1466 NZ LYS A 153 -14.519 16.451 -2.006 1.00 60.30 N ATOM 1467 HZ1 LYS A 153 -14.248 15.475 -1.772 1.00 0.00 H ATOM 1468 HZ2 LYS A 153 -14.056 17.108 -1.347 1.00 0.00 H ATOM 1469 HZ3 LYS A 153 -15.551 16.553 -1.930 1.00 0.00 H ATOM 1470 H LYS A 153 -8.692 14.716 -5.914 1.00 0.00 H ATOM 1471 N LYS A 154 -9.931 17.003 -7.996 1.00 15.24 N ATOM 1472 CA LYS A 154 -10.027 17.982 -9.062 1.00 16.24 C ATOM 1473 C LYS A 154 -10.346 17.333 -10.407 1.00 17.54 C ATOM 1474 O LYS A 154 -11.047 17.913 -11.240 1.00 22.73 O ATOM 1475 CB LYS A 154 -8.720 18.770 -9.157 1.00 22.84 C ATOM 1476 CG LYS A 154 -8.718 19.818 -10.252 1.00 24.77 C ATOM 1477 CD LYS A 154 -7.425 20.627 -10.250 1.00 24.19 C ATOM 1478 CE LYS A 154 -7.424 21.656 -11.373 1.00 35.95 C ATOM 1479 NZ LYS A 154 -6.301 22.625 -11.249 1.00 38.55 N ATOM 1480 HZ1 LYS A 154 -6.381 23.133 -10.345 1.00 0.00 H ATOM 1481 HZ2 LYS A 154 -5.397 22.112 -11.280 1.00 0.00 H ATOM 1482 HZ3 LYS A 154 -6.343 23.305 -12.035 1.00 0.00 H ATOM 1483 H LYS A 154 -9.044 16.923 -7.460 1.00 0.00 H ATOM 1484 N PHE A 155 -9.841 16.118 -10.613 1.00 18.25 N ATOM 1485 CA PHE A 155 -10.039 15.432 -11.884 1.00 19.02 C ATOM 1486 C PHE A 155 -11.047 14.278 -11.813 1.00 19.38 C ATOM 1487 O PHE A 155 -11.000 13.346 -12.607 1.00 19.44 O ATOM 1488 CB PHE A 155 -8.686 14.980 -12.460 1.00 12.52 C ATOM 1489 CG PHE A 155 -7.785 16.128 -12.829 1.00 14.21 C ATOM 1490 CD1 PHE A 155 -8.190 17.054 -13.781 1.00 23.61 C ATOM 1491 CD2 PHE A 155 -6.553 16.294 -12.214 1.00 21.30 C ATOM 1492 CE1 PHE A 155 -7.378 18.126 -14.120 1.00 22.64 C ATOM 1493 CE2 PHE A 155 -5.731 17.363 -12.550 1.00 21.86 C ATOM 1494 CZ PHE A 155 -6.146 18.278 -13.507 1.00 24.57 C ATOM 1495 H PHE A 155 -9.298 15.653 -9.858 1.00 0.00 H ATOM 1496 N ALA A 156 -11.979 14.353 -10.873 1.00 16.74 N ATOM 1497 CA ALA A 156 -13.086 13.402 -10.838 1.00 20.11 C ATOM 1498 C ALA A 156 -13.990 13.614 -12.044 1.00 31.26 C ATOM 1499 O ALA A 156 -14.305 14.751 -12.392 1.00 35.10 O ATOM 1500 CB ALA A 156 -13.880 13.575 -9.564 1.00 22.12 C ATOM 1501 H ALA A 156 -11.921 15.099 -10.151 1.00 0.00 H ATOM 1502 N PRO A 157 -14.411 12.517 -12.689 1.00 24.89 N ATOM 1503 CA PRO A 157 -15.330 12.615 -13.829 1.00 32.64 C ATOM 1504 C PRO A 157 -16.795 12.629 -13.404 1.00 40.97 C ATOM 1505 O PRO A 157 -17.110 13.127 -12.323 1.00 34.87 O ATOM 1506 CB PRO A 157 -15.030 11.340 -14.616 1.00 37.37 C ATOM 1507 CG PRO A 157 -14.623 10.364 -13.588 1.00 25.57 C ATOM 1508 CD PRO A 157 -13.909 11.144 -12.502 1.00 20.94 C TER 1509 PRO A 157 HETATM 1510 O HOH 1 -4.050 15.777 -38.877 1.00 38.24 O HETATM 1511 O HOH 2 7.358 18.598 -25.278 1.00 20.10 O HETATM 1512 O HOH 3 16.457 11.398 -3.759 1.00 49.28 O HETATM 1513 O HOH 4 -6.409 15.137 2.247 1.00 40.08 O HETATM 1514 O HOH 5 -4.695 -6.776 -36.328 1.00 38.26 O HETATM 1515 O HOH 6 11.314 -3.169 -22.140 1.00 26.73 O HETATM 1516 O HOH 7 15.955 7.693 -26.605 1.00 28.88 O HETATM 1517 O HOH 8 12.618 -7.420 -27.586 1.00 32.76 O HETATM 1518 O HOH 9 9.573 1.762 -17.474 1.00 19.76 O HETATM 1519 O HOH 10 -10.464 5.397 -9.413 1.00 22.42 O HETATM 1520 O HOH 11 -1.416 20.725 0.731 1.00 34.43 O HETATM 1521 O HOH 12 10.268 7.143 -14.297 1.00 16.93 O HETATM 1522 O HOH 13 1.907 18.434 -28.000 1.00 37.89 O HETATM 1523 O HOH 14 0.789 4.146 -3.118 1.00 43.21 O HETATM 1524 O HOH 15 -14.119 -8.430 -25.691 1.00 32.70 O HETATM 1525 O HOH 16 13.379 8.387 -32.206 1.00 41.49 O HETATM 1526 O HOH 17 14.935 3.637 -12.869 1.00 51.95 O HETATM 1527 O HOH 18 7.343 3.015 -38.976 1.00 19.61 O HETATM 1528 O HOH 19 8.174 9.031 -24.958 1.00 15.25 O HETATM 1529 O HOH 20 2.446 8.802 -6.300 1.00 14.61 O HETATM 1530 O HOH 21 8.935 5.431 -4.929 1.00 34.53 O HETATM 1531 O HOH 22 4.771 5.937 -3.218 1.00 43.21 O HETATM 1532 O HOH 23 -7.554 8.296 -41.837 1.00 31.09 O HETATM 1533 O HOH 24 -1.855 12.614 3.540 1.00 27.38 O HETATM 1534 O HOH 25 -9.376 12.529 -3.624 1.00 24.59 O HETATM 1535 O HOH 26 -5.830 15.072 -34.865 1.00 21.59 O HETATM 1536 O HOH 27 13.371 5.211 -34.422 1.00 16.58 O HETATM 1537 O HOH 28 19.946 9.502 -27.747 1.00 43.80 O HETATM 1538 O HOH 29 -8.243 9.945 -4.109 1.00 19.08 O HETATM 1539 O HOH 30 2.402 0.680 -28.668 1.00 13.38 O HETATM 1540 O HOH 31 -0.916 0.844 -43.848 1.00 33.07 O HETATM 1541 O HOH 32 0.116 19.320 -21.071 1.00 25.78 O HETATM 1542 O HOH 33 13.243 0.341 -31.301 1.00 12.71 O HETATM 1543 O HOH 34 -9.330 19.399 -5.095 1.00 21.27 O HETATM 1544 O HOH 35 2.716 -6.257 -29.980 1.00 22.82 O HETATM 1545 O HOH 36 -11.706 -5.349 -32.051 1.00 25.78 O HETATM 1546 O HOH 37 -1.824 3.344 -9.865 1.00 27.68 O HETATM 1547 O HOH 38 -9.084 16.381 -30.871 1.00 36.55 O HETATM 1548 O HOH 39 13.589 7.385 -37.966 1.00 25.64 O HETATM 1549 O HOH 40 2.302 8.305 -1.839 1.00 33.20 O HETATM 1550 O HOH 41 5.849 -6.552 -24.837 1.00 34.86 O HETATM 1551 O HOH 42 11.066 9.152 -20.564 1.00 32.78 O HETATM 1552 O HOH 43 -3.879 12.958 -8.174 1.00 13.23 O HETATM 1553 O HOH 44 14.685 14.934 -16.147 1.00 26.47 O HETATM 1554 O HOH 45 0.602 17.383 5.413 1.00 23.40 O HETATM 1555 O HOH 46 -13.533 3.276 -20.520 1.00 36.22 O HETATM 1556 O HOH 47 -10.234 3.230 -29.679 1.00 20.38 O HETATM 1557 O HOH 48 -2.951 19.137 -5.392 1.00 20.44 O HETATM 1558 O HOH 49 16.350 13.734 -13.294 1.00 40.88 O HETATM 1559 O HOH 50 -1.090 -5.921 -24.549 1.00 24.99 O HETATM 1560 O HOH 51 5.994 3.770 -2.133 1.00 45.95 O HETATM 1561 O HOH 52 -5.185 -6.455 -33.293 1.00 24.47 O HETATM 1562 O HOH 53 -1.354 -0.406 -13.739 1.00 18.45 O HETATM 1563 O HOH 54 -6.207 16.575 0.059 1.00 22.81 O HETATM 1564 O HOH 55 3.476 18.472 -14.651 1.00 21.33 O HETATM 1565 O HOH 56 -8.476 -1.103 -36.483 1.00 22.80 O HETATM 1566 O HOH 57 10.938 21.808 3.342 1.00 34.40 O HETATM 1567 O HOH 58 3.950 -6.710 -26.085 1.00 24.10 O HETATM 1568 O HOH 59 8.018 0.910 -3.094 1.00 37.98 O HETATM 1569 O HOH 60 5.518 1.531 -14.750 1.00 14.87 O HETATM 1570 O HOH 61 11.175 -0.599 -17.623 1.00 25.15 O HETATM 1571 O HOH 62 7.493 2.635 -10.600 1.00 25.63 O HETATM 1572 O HOH 63 -3.372 -3.287 -39.717 1.00 26.77 O HETATM 1573 O HOH 64 -2.427 21.408 -14.496 1.00 40.10 O HETATM 1574 O HOH 65 12.340 11.125 -21.865 1.00 44.03 O HETATM 1575 O HOH 66 -15.601 12.735 -39.017 1.00 23.01 O HETATM 1576 O HOH 67 1.775 1.512 -8.682 1.00 34.47 O HETATM 1577 O HOH 68 3.637 -2.299 -38.976 1.00 27.64 O HETATM 1578 O HOH 69 -11.708 3.991 -31.846 1.00 24.87 O HETATM 1579 O HOH 70 -16.399 14.426 -34.546 1.00 19.70 O HETATM 1580 O HOH 71 -3.009 19.489 -10.521 1.00 30.91 O HETATM 1581 O HOH 72 13.371 11.886 -19.680 1.00 47.89 O HETATM 1582 O HOH 73 -4.862 -1.648 -13.158 1.00 26.25 O HETATM 1583 O HOH 74 2.771 -2.347 -18.514 1.00 21.28 O HETATM 1584 O HOH 75 -4.185 15.317 -17.024 1.00 12.96 O HETATM 1585 O HOH 76 11.467 20.173 -14.886 1.00 15.23 O HETATM 1586 O HOH 77 -12.121 10.987 -32.745 1.00 29.81 O HETATM 1587 O HOH 78 -4.653 8.065 -39.629 1.00 22.29 O HETATM 1588 O HOH 79 -7.909 -0.172 -8.951 1.00 42.37 O HETATM 1589 O HOH 80 -14.604 9.898 -8.580 1.00 41.86 O HETATM 1590 O HOH 81 3.589 11.872 -36.725 1.00 26.54 O HETATM 1591 O HOH 82 6.529 7.283 -32.012 1.00 12.92 O HETATM 1592 O HOH 83 -10.698 11.574 -29.750 1.00 24.27 O HETATM 1593 O HOH 84 12.029 15.681 5.682 1.00 29.70 O HETATM 1594 O HOH 85 -11.169 14.113 -15.751 1.00 39.50 O HETATM 1595 O HOH 86 -11.557 21.451 -39.775 1.00 35.09 O HETATM 1596 O HOH 87 -14.277 1.057 -19.301 1.00 27.40 O HETATM 1597 O HOH 88 -1.664 10.367 3.746 1.00 41.44 O HETATM 1598 O HOH 89 9.687 1.467 -6.464 1.00 40.24 O HETATM 1599 O HOH 90 -1.703 11.984 -39.437 1.00 35.35 O HETATM 1600 O HOH 91 7.872 4.106 -41.926 1.00 28.97 O HETATM 1601 O HOH 92 -8.855 -0.984 -14.345 1.00 20.17 O HETATM 1602 O HOH 93 -9.233 2.247 -11.431 1.00 23.07 O HETATM 1603 O HOH 94 8.112 15.092 7.046 1.00 33.36 O HETATM 1604 O HOH 95 -10.013 15.260 -33.054 1.00 20.90 O HETATM 1605 O HOH 96 -7.008 -7.667 -27.528 1.00 30.95 O HETATM 1606 O HOH 97 12.651 8.083 -30.038 1.00 34.89 O HETATM 1607 O HOH 98 2.817 22.635 -15.113 1.00 31.87 O HETATM 1608 O HOH 99 11.784 5.141 -6.356 1.00 34.62 O HETATM 1609 O HOH 100 -8.113 6.022 -1.405 1.00 40.31 O HETATM 1610 O HOH 101 11.153 21.154 -12.420 1.00 21.80 O HETATM 1611 O HOH 102 -14.170 -4.586 -24.561 1.00 34.76 O HETATM 1612 O HOH 103 -8.105 17.735 -20.827 1.00 39.89 O HETATM 1613 O HOH 104 6.067 2.948 -43.685 1.00 26.14 O HETATM 1614 O HOH 105 -4.178 1.935 -41.016 1.00 33.75 O HETATM 1615 O HOH 106 -10.341 -4.495 -16.367 1.00 25.47 O HETATM 1616 O HOH 107 11.257 4.279 -15.568 1.00 26.24 O HETATM 1617 O HOH 108 12.995 8.077 -27.380 1.00 22.11 O HETATM 1618 O HOH 109 -3.265 5.104 -9.627 1.00 29.09 O HETATM 1619 O HOH 110 -7.590 0.526 -12.550 1.00 20.82 O HETATM 1620 O HOH 111 -16.787 11.191 -10.165 1.00 32.73 O HETATM 1621 O HOH 112 2.592 17.127 7.281 1.00 28.97 O HETATM 1622 O HOH 113 -12.105 14.809 -29.579 1.00 36.78 O HETATM 1623 O HOH 114 -9.816 17.467 -26.990 1.00 39.48 O HETATM 1624 O HOH 115 -6.618 15.134 -16.238 1.00 22.86 O HETATM 1625 O HOH 116 1.535 12.848 -33.753 1.00 30.73 O HETATM 1626 O HOH 117 4.492 -4.188 -35.332 1.00 18.61 O HETATM 1627 O HOH 118 9.880 -5.802 -29.658 1.00 18.59 O HETATM 1628 O HOH 119 8.228 21.934 -10.157 1.00 29.17 O HETATM 1629 O HOH 120 -5.604 22.328 -14.129 1.00 41.17 O HETATM 1630 O HOH 121 8.715 4.933 -0.894 1.00 46.44 O HETATM 1631 O HOH 122 3.122 -6.723 -19.697 1.00 38.34 O HETATM 1632 O HOH 123 6.578 10.548 -22.986 1.00 17.28 O HETATM 1633 O HOH 124 -1.619 15.834 -34.511 1.00 36.66 O HETATM 1634 O HOH 125 -10.837 7.743 -41.579 1.00 34.82 O HETATM 1635 O HOH 126 -15.535 8.041 -21.654 1.00 45.00 O HETATM 1636 O HOH 127 -0.768 14.229 -36.218 1.00 34.84 O HETATM 1637 O HOH 128 0.695 7.773 -4.505 1.00 26.17 O HETATM 1638 O HOH 129 -15.065 -0.471 -20.859 1.00 45.03 O HETATM 1639 O HOH 130 10.142 11.757 -21.464 1.00 33.33 O HETATM 1640 O HOH 131 -11.271 11.679 -6.245 1.00 41.01 O HETATM 1641 O HOH 132 -3.230 -2.233 -26.934 1.00 27.29 O HETATM 1642 O HOH 133 -0.972 20.905 -7.757 1.00 46.80 O HETATM 1643 O HOH 134 -2.926 17.955 6.387 1.00 38.53 O HETATM 1644 O HOH 135 -11.415 1.856 -13.272 1.00 25.42 O HETATM 1645 O HOH 136 4.222 4.886 -46.497 1.00 38.45 O HETATM 1646 O HOH 137 13.793 2.264 -14.678 1.00 40.00 O HETATM 1647 O HOH 138 9.690 9.550 -37.675 1.00 28.46 O HETATM 1648 O HOH 139 -10.777 -1.185 -34.954 1.00 32.14 O HETATM 1649 O HOH 140 2.992 7.208 -4.058 1.00 29.55 O HETATM 1650 O HOH 141 -3.316 17.790 -30.556 1.00 29.31 O HETATM 1651 O HOH 142 7.637 2.765 -13.178 1.00 21.55 O HETATM 1652 O HOH 143 -3.161 13.790 5.429 1.00 36.10 O HETATM 1653 O HOH 144 -11.302 9.093 -35.001 1.00 38.19 O HETATM 1654 O HOH 145 9.953 -7.681 -27.669 1.00 22.55 O HETATM 1655 O HOH 146 16.017 1.378 -17.014 1.00 42.07 O HETATM 1656 O HOH 147 13.511 13.822 4.350 1.00 46.72 O HETATM 1657 O HOH 148 7.416 12.185 -37.216 1.00 34.01 O HETATM 1658 O HOH 149 -12.567 -4.822 -22.543 1.00 32.14 O HETATM 1659 O HOH 150 15.774 6.185 -35.038 1.00 39.70 O HETATM 1660 O HOH 151 10.041 -4.145 -20.521 1.00 47.16 O HETATM 1661 O HOH 152 9.705 2.314 -14.571 1.00 33.87 O HETATM 1662 O HOH 153 -8.200 19.096 -27.175 1.00 41.73 O HETATM 1663 O HOH 154 5.925 11.732 6.180 1.00 39.42 O HETATM 1664 O HOH 155 -4.524 19.452 -29.464 1.00 46.23 O HETATM 1665 O HOH 156 19.557 6.868 -22.502 1.00 50.94 O HETATM 1666 O HOH 157 -6.410 16.998 -31.647 1.00 44.93 O HETATM 1667 O HOH 158 -5.029 19.844 -7.142 1.00 32.03 O HETATM 1668 O HOH 159 -8.778 16.496 -1.319 1.00 26.16 O HETATM 1669 O HOH 160 6.575 0.213 -10.052 1.00 32.29 O HETATM 1670 O HOH 161 2.339 -2.167 -15.811 1.00 34.08 O HETATM 1671 O HOH 162 -12.434 10.393 -4.386 1.00 48.36 O HETATM 1672 O HOH 163 -5.726 -4.259 -38.069 1.00 27.10 O HETATM 1673 O HOH 164 -3.541 20.894 -3.204 1.00 25.41 O HETATM 1674 O HOH 165 -10.071 17.956 -34.551 1.00 43.22 O HETATM 1675 O HOH 166 -7.193 -7.831 -32.124 1.00 25.59 O HETATM 1676 O HOH 167 -0.792 0.015 -11.088 1.00 35.35 O HETATM 1677 O HOH 168 -14.555 10.886 -42.858 1.00 46.03 O HETATM 1678 O HOH 169 -0.711 -7.308 -22.008 1.00 33.76 O HETATM 1679 O HOH 170 -11.751 19.868 -6.409 1.00 27.32 O HETATM 1680 O HOH 171 9.345 7.126 -41.377 1.00 35.51 O HETATM 1681 O HOH 172 -4.848 -1.066 -10.422 1.00 37.31 O HETATM 1682 O HOH 173 -3.358 0.262 -42.411 1.00 42.26 O HETATM 1683 O HOH 174 -12.450 3.174 -27.707 1.00 24.53 O HETATM 1684 O HOH 175 -14.753 -2.912 -20.480 1.00 38.45 O HETATM 1685 O HOH 176 -13.575 13.447 -17.218 1.00 51.94 O HETATM 1686 O HOH 177 6.001 -8.496 -22.614 1.00 41.99 O HETATM 1687 O HOH 178 -8.411 1.291 -37.445 1.00 34.52 O HETATM 1688 O HOH 179 -3.448 19.912 -0.604 1.00 35.36 O HETATM 1689 O HOH 180 10.493 8.591 -40.111 1.00 45.67 O HETATM 1690 O HOH 181 -7.345 21.268 -5.827 1.00 35.17 O HETATM 1691 O HOH 182 3.120 14.986 8.702 1.00 43.33 O HETATM 1692 O HOH 183 6.143 7.033 3.792 1.00 36.86 O HETATM 1693 O HOH 184 -8.713 8.867 -1.560 1.00 34.68 O HETATM 1694 O HOH 185 -12.464 8.662 -36.939 1.00 36.50 O HETATM 1695 O HOH 186 5.829 21.969 -12.140 1.00 41.76 O HETATM 1696 O HOH 187 -12.281 13.542 -32.445 1.00 35.82 O HETATM 1697 O HOH 188 6.465 4.953 -45.593 1.00 47.93 O HETATM 1698 O HOH 189 -16.347 0.745 -22.621 1.00 48.70 O HETATM 1699 O HOH 190 -1.197 1.031 -9.095 1.00 40.86 O HETATM 1700 O HOH 191 -3.426 -5.028 -26.493 1.00 35.32 O HETATM 1701 O HOH 192 3.199 21.089 -13.212 1.00 44.59 O HETATM 1702 O HOH 193 -15.712 -6.907 -24.430 1.00 33.95 O HETATM 1703 O HOH 194 12.613 7.113 -39.982 1.00 46.53 O HETATM 1704 O HOH 195 -12.665 -3.623 -33.813 1.00 39.54 O HETATM 1705 O HOH 196 -5.565 6.097 -41.366 1.00 35.78 O HETATM 1706 O HOH 197 18.650 -2.755 -20.702 1.00 39.65 O HETATM 1707 O HOH 198 3.080 3.204 -47.955 1.00 43.72 O HETATM 1708 O HOH 199 11.076 5.503 -3.440 1.00 42.05 O HETATM 1709 O HOH 200 -5.838 19.588 0.229 1.00 23.12 O HETATM 1710 O HOH 201 -16.127 2.966 -17.561 1.00 38.17 O HETATM 1711 O HOH 202 8.697 22.481 -0.897 1.00 46.96 O HETATM 1712 O HOH 203 -12.122 3.315 -8.145 1.00 39.08 O HETATM 1713 O HOH 204 -0.769 -5.609 -20.406 1.00 38.70 O HETATM 1714 O HOH 205 -14.081 8.384 -34.979 1.00 43.22 O HETATM 1715 O HOH 206 6.750 0.813 -17.119 1.00 22.66 O HETATM 1716 O HOH 207 -4.499 -1.802 -41.650 1.00 35.64 O HETATM 1717 O HOH 208 -11.972 20.019 -1.592 1.00 43.90 O HETATM 1718 O HOH 209 9.538 23.142 -12.381 1.00 41.42 O HETATM 1719 O HOH 210 12.732 -5.544 -29.093 1.00 21.09 O HETATM 1720 O HOH 211 7.680 3.129 1.297 1.00 27.60 O HETATM 1721 O HOH 212 -13.740 21.832 -38.845 1.00 36.07 O HETATM 1722 O HOH 213 -1.732 15.821 6.384 1.00 29.57 O HETATM 1723 O HOH 214 0.202 21.546 -10.023 1.00 43.51 O HETATM 1724 O HOH 215 -10.595 -2.230 -12.457 1.00 35.38 O HETATM 1725 O HOH 216 -14.461 8.037 -19.568 1.00 32.21 O HETATM 1726 O HOH 217 -17.152 13.626 -41.111 1.00 41.81 O HETATM 1727 O HOH 218 4.365 25.138 -15.018 1.00 53.05 O HETATM 1728 O HOH 219 -9.593 19.165 -2.285 1.00 27.78 O HETATM 1729 O HOH 220 -9.411 -9.081 -32.820 1.00 46.11 O HETATM 1730 O HOH 221 -13.250 3.263 -13.315 1.00 32.92 O HETATM 1731 O HOH 222 -11.770 -7.756 -33.277 1.00 35.33 O HETATM 1732 O HOH 223 -6.312 -8.898 -29.786 1.00 31.03 O HETATM 1733 O HOH 224 6.083 -1.496 -17.844 1.00 36.60 O HETATM 1734 O HOH 225 0.955 -4.690 -18.708 1.00 27.71 O HETATM 1735 O HOH 226 6.063 4.162 3.427 1.00 33.15 O HETATM 1736 O HOH 227 -6.690 -2.742 -14.706 1.00 35.05 O HETATM 1737 O HOH 228 -11.274 22.109 -8.799 1.00 46.86 O HETATM 1738 O HOH 229 -5.926 -4.787 -16.559 1.00 39.74 O HETATM 1739 O HOH 230 0.325 23.759 -15.378 1.00 42.83 O HETATM 1740 O HOH 231 -14.007 11.839 -5.497 1.00 52.17 O HETATM 1741 O HOH 232 -2.213 -6.499 -28.836 1.00 30.90 O HETATM 1742 O HOH 233 -15.174 12.114 -18.236 1.00 46.25 O HETATM 1743 O HOH 234 -7.242 2.056 -40.075 1.00 39.08 O HETATM 1744 O HOH 235 -13.516 10.808 -45.839 1.00 48.42 O HETATM 1745 O HOH 236 3.946 9.668 8.549 1.00 47.51 O HETATM 1746 O HOH 237 -15.830 9.932 -18.448 1.00 31.19 O HETATM 1747 O HOH 238 -8.001 -3.672 -11.221 1.00 34.97 O HETATM 1748 O HOH 239 0.619 8.749 8.644 1.00 53.39 O HETATM 1749 CAA UNN A 240 -12.095 11.000 -25.889 1.00 -0.04 C HETATM 1750 CAL UNN A 240 -13.596 11.007 -25.871 1.00 0.07 C HETATM 1751 OAO UNN A 240 -14.039 11.467 -24.580 1.00 -0.28 O HETATM 1752 CAP UNN A 240 -14.173 10.468 -23.599 1.00 0.24 C HETATM 1753 OAB UNN A 240 -13.923 9.312 -23.859 1.00 -0.37 O HETATM 1754 CAM UNN A 240 -14.293 10.912 -22.095 1.00 0.06 C HETATM 1755 CAN UNN A 240 -12.957 10.740 -21.373 1.00 -0.00 C HETATM 1756 CAQ UNN A 240 -11.810 11.666 -21.968 1.00 -0.05 C HETATM 1757 CAK UNN A 240 -11.977 13.033 -22.026 1.00 -0.03 C HETATM 1758 CAS UNN A 240 -10.953 13.857 -22.548 1.00 0.09 C HETATM 1759 OAD UNN A 240 -11.154 15.256 -22.596 1.00 -0.33 O HETATM 1760 H11 UNN A 240 -10.386 15.673 -22.968 1.00 0.25 H HETATM 1761 CAU UNN A 240 -9.774 13.286 -23.034 1.00 0.00 C HETATM 1762 CAJ UNN A 240 -9.620 11.889 -22.960 1.00 -0.07 C HETATM 1763 CAI UNN A 240 -10.610 11.093 -22.446 1.00 -0.07 C HETATM 1764 H12 UNN A 240 -10.472 10.019 -22.406 1.00 0.05 H HETATM 1765 H13 UNN A 240 -8.702 11.435 -23.316 1.00 0.06 H HETATM 1766 CAT UNN A 240 -8.615 14.072 -23.577 1.00 0.01 C HETATM 1767 CAH UNN A 240 -7.393 13.507 -23.388 1.00 -0.07 C HETATM 1768 CAF UNN A 240 -6.226 14.162 -23.842 1.00 -0.07 C HETATM 1769 CAE UNN A 240 -6.300 15.393 -24.475 1.00 -0.07 C HETATM 1770 CAG UNN A 240 -7.509 15.967 -24.667 1.00 -0.03 C HETATM 1771 CAR UNN A 240 -8.686 15.318 -24.217 1.00 0.09 C HETATM 1772 OAC UNN A 240 -9.905 15.973 -24.443 1.00 -0.33 O HETATM 1773 H18 UNN A 240 -10.616 15.444 -24.100 1.00 0.25 H HETATM 1774 H17 UNN A 240 -7.578 16.927 -25.167 1.00 0.05 H HETATM 1775 H16 UNN A 240 -5.398 15.890 -24.813 1.00 0.06 H HETATM 1776 H15 UNN A 240 -5.259 13.695 -23.693 1.00 0.05 H HETATM 1777 H14 UNN A 240 -7.313 12.549 -22.887 1.00 0.06 H HETATM 1778 H10 UNN A 240 -12.898 13.479 -21.669 1.00 0.05 H HETATM 1779 H8 UNN A 240 -12.642 9.690 -21.462 1.00 0.05 H HETATM 1780 H9 UNN A 240 -13.097 10.992 -20.311 1.00 0.05 H HETATM 1781 H6 UNN A 240 -15.055 10.295 -21.596 1.00 0.05 H HETATM 1782 H7 UNN A 240 -14.592 11.970 -22.053 1.00 0.05 H HETATM 1783 H4 UNN A 240 -13.973 9.990 -26.051 1.00 0.06 H HETATM 1784 H5 UNN A 240 -13.973 11.682 -26.654 1.00 0.06 H HETATM 1785 H1 UNN A 240 -11.742 10.650 -26.870 1.00 0.03 H HETATM 1786 H2 UNN A 240 -11.722 10.326 -25.104 1.00 0.03 H HETATM 1787 H3 UNN A 240 -11.721 12.018 -25.706 1.00 0.03 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1749 1750 1785 1786 1787 CONECT 1750 1749 1751 1783 1784 CONECT 1751 1750 1752 CONECT 1752 1751 1753 1754 CONECT 1753 1752 CONECT 1754 1752 1755 1781 1782 CONECT 1755 1754 1756 1779 1780 CONECT 1756 1755 1757 1763 CONECT 1757 1756 1758 1778 CONECT 1758 1757 1759 1761 CONECT 1759 1758 1760 CONECT 1760 1759 CONECT 1761 1758 1762 1766 CONECT 1762 1761 1763 1765 CONECT 1763 1756 1762 1764 CONECT 1764 1763 CONECT 1765 1762 CONECT 1766 1761 1767 1771 CONECT 1767 1766 1768 1777 CONECT 1768 1767 1769 1776 CONECT 1769 1768 1770 1775 CONECT 1770 1769 1771 1774 CONECT 1771 1766 1770 1772 CONECT 1772 1771 1773 CONECT 1773 1772 CONECT 1774 1770 CONECT 1775 1769 CONECT 1776 1768 CONECT 1777 1767 CONECT 1778 1757 CONECT 1779 1755 CONECT 1780 1755 CONECT 1781 1754 CONECT 1782 1754 CONECT 1783 1750 CONECT 1784 1750 CONECT 1785 1749 CONECT 1786 1749 CONECT 1787 1749 MASTER 0 0 0 0 0 0 0 0 1786 1 43 12 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5f6u
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%
5f6v
RCSB PDB
PDBbind
157aa, >5F6V_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
5f6u
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SUMO-conjugating enzyme UBC9 (K48A/K49A/E54A)
Ligand Name
5VK
EC.Number
E.C.6.3.2
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
IC50=3mM
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
7
H
1
8
O
4
Molecular Weight
286.322
Exact Mass
286.121
No. of atoms
39
No. of bonds
40
Polar Surface Area
66.76
LOGP Value
3.29 (
Computed with XLOGP3
)
3.26 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
CCOC(=O)CCc1ccc(c(c1)O)c1ccccc1O
InChI String
InChI=1S/C17H18O4/c1-2-21-17(20)10-8-12-7-9-14(16(19)11-12)13-5-3-4-6-15(13)18/h3-7,9,11,18-19H,2,8,10H2,1H3
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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