Browse entries in the PDBbind-CN Database
HEADER 1UEF_COMPLEX COMPND 1UEF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 105 MET GLY SER GLN PHE TRP VAL THR SER GLN LYS THR GLU SEQRES 2 A 105 ALA SER GLU ARG CYS GLY LEU GLN GLY SER TYR ILE LEU SEQRES 3 A 105 ARG VAL GLU ALA GLU LYS LEU THR LEU LEU THR LEU GLY SEQRES 4 A 105 ALA GLN SER GLN ILE LEU GLU PRO LEU LEU PHE TRP PRO SEQRES 5 A 105 TYR THR LEU LEU ARG ARG TYR GLY ARG ASP LYS VAL MET SEQRES 6 A 105 PHE SER PHE GLU ALA GLY ARG ARG CYS PRO SER GLY PRO SEQRES 7 A 105 GLY THR PHE THR PHE GLN THR SER GLN GLY ASN ASP ILE SEQRES 8 A 105 PHE GLN ALA VAL GLU ALA ALA ILE GLN GLN GLN LYS ALA SEQRES 9 A 105 GLN SEQRES 1 B 103 GLY SER GLN PHE TRP VAL THR SER GLN LYS THR GLU ALA SEQRES 2 B 103 SER GLU ARG CYS GLY LEU GLN GLY SER TYR ILE LEU ARG SEQRES 3 B 103 VAL GLU ALA GLU LYS LEU THR LEU LEU THR LEU GLY ALA SEQRES 4 B 103 GLN SER GLN ILE LEU GLU PRO LEU LEU PHE TRP PRO TYR SEQRES 5 B 103 THR LEU LEU ARG ARG TYR GLY ARG ASP LYS VAL MET PHE SEQRES 6 B 103 SER PHE GLU ALA GLY ARG ARG CYS PRO SER GLY PRO GLY SEQRES 7 B 103 THR PHE THR PHE GLN THR SER GLN GLY ASN ASP ILE PHE SEQRES 8 B 103 GLN ALA VAL GLU ALA ALA ILE GLN GLN GLN LYS ALA HET THR A 226 176 ATOM 1 N MET A 4 16.689 11.331 17.367 1.00 51.45 N ATOM 2 CA MET A 4 15.915 10.097 17.728 1.00 51.12 C ATOM 3 C MET A 4 16.735 8.860 17.343 1.00 50.68 C ATOM 4 O MET A 4 17.528 8.323 18.144 1.00 51.75 O ATOM 5 CB MET A 4 14.571 10.046 16.973 1.00 50.08 C ATOM 6 CG MET A 4 13.718 11.300 17.068 1.00 50.66 C ATOM 7 SD MET A 4 13.384 11.824 18.777 1.00 52.63 S ATOM 8 CE MET A 4 14.823 13.001 19.073 1.00 51.63 C ATOM 9 HA MET A 4 15.719 10.116 18.800 1.00 0.00 H ATOM 10 HB2 MET A 4 14.784 9.864 15.920 1.00 0.00 H ATOM 11 HB3 MET A 4 13.992 9.214 17.374 1.00 0.00 H ATOM 12 HG2 MET A 4 12.766 11.108 16.574 1.00 0.00 H ATOM 13 HG3 MET A 4 14.236 12.110 16.554 1.00 0.00 H ATOM 14 HE1 MET A 4 15.762 12.461 18.957 1.00 0.00 H ATOM 15 HE2 MET A 4 14.779 13.815 18.350 1.00 0.00 H ATOM 16 HE3 MET A 4 14.757 13.406 20.083 1.00 0.00 H ATOM 17 HN3 MET A 4 16.872 11.337 16.343 1.00 0.00 H ATOM 18 HN2 MET A 4 17.592 11.335 17.882 1.00 0.00 H ATOM 19 HN1 MET A 4 16.137 12.173 17.626 1.00 0.00 H ATOM 20 N GLY A 5 16.517 8.410 16.109 1.00 48.52 N ATOM 21 CA GLY A 5 17.226 7.253 15.596 1.00 46.29 C ATOM 22 C GLY A 5 18.262 7.641 14.546 1.00 44.27 C ATOM 23 O GLY A 5 18.441 8.840 14.250 1.00 45.27 O ATOM 24 HA3 GLY A 5 16.506 6.569 15.146 1.00 0.00 H ATOM 25 HA2 GLY A 5 17.731 6.754 16.423 1.00 0.00 H ATOM 26 H GLY A 5 15.826 8.896 15.502 1.00 0.00 H ATOM 27 N SER A 6 18.935 6.633 13.991 1.00 39.89 N ATOM 28 CA SER A 6 19.976 6.821 12.982 1.00 36.24 C ATOM 29 C SER A 6 19.551 7.747 11.834 1.00 32.98 C ATOM 30 O SER A 6 18.403 7.748 11.393 1.00 34.65 O ATOM 31 CB SER A 6 20.407 5.456 12.412 1.00 36.92 C ATOM 32 OG SER A 6 20.660 4.504 13.440 1.00 38.95 O ATOM 33 HA SER A 6 20.812 7.306 13.486 1.00 0.00 H ATOM 34 HB2 SER A 6 21.316 5.590 11.825 1.00 0.00 H ATOM 35 HB3 SER A 6 19.613 5.077 11.768 1.00 0.00 H ATOM 36 HG SER A 6 20.933 3.644 13.032 1.00 0.00 H ATOM 37 H SER A 6 18.708 5.663 14.291 1.00 0.00 H ATOM 38 N GLN A 7 20.496 8.516 11.334 1.00 28.23 N ATOM 39 CA GLN A 7 20.223 9.448 10.261 1.00 25.90 C ATOM 40 C GLN A 7 21.157 9.255 9.070 1.00 24.50 C ATOM 41 O GLN A 7 22.343 8.952 9.241 1.00 25.15 O ATOM 42 CB GLN A 7 20.391 10.859 10.762 1.00 23.93 C ATOM 43 CG GLN A 7 19.241 11.400 11.516 1.00 23.15 C ATOM 44 CD GLN A 7 19.374 12.886 11.642 1.00 21.64 C ATOM 45 OE1 GLN A 7 18.466 13.566 12.074 1.00 21.65 O ATOM 46 NE2 GLN A 7 20.527 13.401 11.247 1.00 20.88 N ATOM 47 HA GLN A 7 19.201 9.262 9.932 1.00 0.00 H ATOM 48 HB2 GLN A 7 21.264 10.884 11.414 1.00 0.00 H ATOM 49 HB3 GLN A 7 20.564 11.505 9.901 1.00 0.00 H ATOM 50 HG2 GLN A 7 18.317 11.162 10.989 1.00 0.00 H ATOM 51 HG3 GLN A 7 19.216 10.953 12.510 1.00 0.00 H ATOM 52 HE22 GLN A 7 21.277 12.779 10.883 1.00 0.00 H ATOM 53 HE21 GLN A 7 20.683 14.428 11.300 1.00 0.00 H ATOM 54 H GLN A 7 21.460 8.452 11.719 1.00 0.00 H ATOM 55 N PHE A 8 20.635 9.457 7.871 1.00 20.82 N ATOM 56 CA PHE A 8 21.446 9.294 6.683 1.00 18.63 C ATOM 57 C PHE A 8 21.237 10.373 5.611 1.00 18.61 C ATOM 58 O PHE A 8 20.121 10.845 5.410 1.00 17.88 O ATOM 59 CB PHE A 8 21.183 7.935 6.075 1.00 17.65 C ATOM 60 CG PHE A 8 21.426 6.798 7.003 1.00 17.77 C ATOM 61 CD1 PHE A 8 20.400 6.335 7.849 1.00 18.38 C ATOM 62 CD2 PHE A 8 22.669 6.167 7.039 1.00 16.73 C ATOM 63 CE1 PHE A 8 20.601 5.252 8.726 1.00 15.88 C ATOM 64 CE2 PHE A 8 22.896 5.081 7.909 1.00 17.59 C ATOM 65 CZ PHE A 8 21.854 4.619 8.763 1.00 15.90 C ATOM 66 HA PHE A 8 22.479 9.393 7.015 1.00 0.00 H ATOM 67 HB2 PHE A 8 20.142 7.899 5.754 1.00 0.00 H ATOM 68 HB3 PHE A 8 21.834 7.815 5.209 1.00 0.00 H ATOM 69 HD2 PHE A 8 23.472 6.516 6.389 1.00 0.00 H ATOM 70 HE2 PHE A 8 23.871 4.594 7.928 1.00 0.00 H ATOM 71 HZ PHE A 8 22.028 3.782 9.439 1.00 0.00 H ATOM 72 HE1 PHE A 8 19.792 4.908 9.370 1.00 0.00 H ATOM 73 HD1 PHE A 8 19.427 6.827 7.824 1.00 0.00 H ATOM 74 H PHE A 8 19.637 9.734 7.782 1.00 0.00 H ATOM 75 N TRP A 9 22.319 10.756 4.924 1.00 17.92 N ATOM 76 CA TRP A 9 22.244 11.756 3.867 1.00 16.35 C ATOM 77 C TRP A 9 22.081 10.989 2.574 1.00 16.33 C ATOM 78 O TRP A 9 23.030 10.342 2.107 1.00 15.69 O ATOM 79 CB TRP A 9 23.512 12.587 3.794 1.00 15.35 C ATOM 80 CG TRP A 9 23.369 13.707 2.791 1.00 16.87 C ATOM 81 CD1 TRP A 9 24.115 13.918 1.651 1.00 14.89 C ATOM 82 CD2 TRP A 9 22.469 14.818 2.893 1.00 15.92 C ATOM 83 NE1 TRP A 9 23.740 15.101 1.055 1.00 15.75 N ATOM 84 CE2 TRP A 9 22.731 15.672 1.792 1.00 15.87 C ATOM 85 CE3 TRP A 9 21.470 15.176 3.812 1.00 13.60 C ATOM 86 CZ2 TRP A 9 22.028 16.867 1.590 1.00 15.83 C ATOM 87 CZ3 TRP A 9 20.773 16.367 3.612 1.00 15.13 C ATOM 88 CH2 TRP A 9 21.059 17.203 2.505 1.00 14.98 C ATOM 89 HA TRP A 9 21.418 12.441 4.055 1.00 0.00 H ATOM 90 HB2 TRP A 9 23.717 13.012 4.777 1.00 0.00 H ATOM 91 HB3 TRP A 9 24.342 11.946 3.497 1.00 0.00 H ATOM 92 HE1 TRP A 9 24.154 15.498 0.187 1.00 0.00 H ATOM 93 HD1 TRP A 9 24.888 13.247 1.277 1.00 0.00 H ATOM 94 HZ2 TRP A 9 22.242 17.509 0.736 1.00 0.00 H ATOM 95 HH2 TRP A 9 20.500 18.130 2.376 1.00 0.00 H ATOM 96 HZ3 TRP A 9 19.996 16.659 4.318 1.00 0.00 H ATOM 97 HE3 TRP A 9 21.244 14.536 4.665 1.00 0.00 H ATOM 98 H TRP A 9 23.239 10.328 5.151 1.00 0.00 H ATOM 99 N VAL A 10 20.873 11.063 2.006 1.00 15.77 N ATOM 100 CA VAL A 10 20.523 10.316 0.800 1.00 14.99 C ATOM 101 C VAL A 10 20.009 11.215 -0.298 1.00 16.18 C ATOM 102 O VAL A 10 19.628 12.330 -0.037 1.00 17.25 O ATOM 103 CB VAL A 10 19.437 9.253 1.120 1.00 15.33 C ATOM 104 CG1 VAL A 10 19.964 8.263 2.181 1.00 13.82 C ATOM 105 CG2 VAL A 10 18.153 9.962 1.623 1.00 12.50 C ATOM 106 HA VAL A 10 21.437 9.834 0.453 1.00 0.00 H ATOM 107 HB VAL A 10 19.199 8.692 0.217 1.00 0.00 H ATOM 108 HG11 VAL A 10 20.854 7.763 1.799 1.00 0.00 H ATOM 109 HG12 VAL A 10 20.213 8.807 3.092 1.00 0.00 H ATOM 110 HG13 VAL A 10 19.195 7.522 2.398 1.00 0.00 H ATOM 111 HG21 VAL A 10 18.383 10.531 2.524 1.00 0.00 H ATOM 112 HG22 VAL A 10 17.785 10.637 0.850 1.00 0.00 H ATOM 113 HG23 VAL A 10 17.391 9.215 1.847 1.00 0.00 H ATOM 114 H VAL A 10 20.154 11.677 2.440 1.00 0.00 H ATOM 115 N THR A 11 19.976 10.716 -1.530 1.00 17.21 N ATOM 116 CA THR A 11 19.514 11.496 -2.655 1.00 15.79 C ATOM 117 C THR A 11 18.338 10.788 -3.284 1.00 16.23 C ATOM 118 O THR A 11 18.379 9.568 -3.451 1.00 15.19 O ATOM 119 CB THR A 11 20.620 11.628 -3.677 1.00 17.84 C ATOM 120 OG1 THR A 11 21.812 12.085 -3.016 1.00 23.27 O ATOM 121 CG2 THR A 11 20.213 12.613 -4.779 1.00 14.75 C ATOM 122 HA THR A 11 19.220 12.490 -2.316 1.00 0.00 H ATOM 123 HB THR A 11 20.806 10.659 -4.140 1.00 0.00 H ATOM 124 HG1 THR A 11 21.638 12.964 -2.595 1.00 0.00 H ATOM 125 HG23 THR A 11 19.309 12.253 -5.270 1.00 0.00 H ATOM 126 HG21 THR A 11 20.024 13.592 -4.338 1.00 0.00 H ATOM 127 HG22 THR A 11 21.018 12.692 -5.509 1.00 0.00 H ATOM 128 H THR A 11 20.291 9.738 -1.688 1.00 0.00 H ATOM 129 N SER A 12 17.301 11.544 -3.663 1.00 15.57 N ATOM 130 CA SER A 12 16.118 10.936 -4.275 1.00 15.87 C ATOM 131 C SER A 12 16.317 10.502 -5.726 1.00 16.17 C ATOM 132 O SER A 12 16.838 11.250 -6.549 1.00 17.27 O ATOM 133 CB SER A 12 14.925 11.892 -4.205 1.00 15.96 C ATOM 134 OG SER A 12 13.759 11.250 -4.683 1.00 13.07 O ATOM 135 HA SER A 12 15.928 10.033 -3.694 1.00 0.00 H ATOM 136 HB2 SER A 12 15.130 12.770 -4.817 1.00 0.00 H ATOM 137 HB3 SER A 12 14.769 12.200 -3.171 1.00 0.00 H ATOM 138 HG SER A 12 13.571 10.453 -4.126 1.00 0.00 H ATOM 139 H SER A 12 17.336 12.574 -3.521 1.00 0.00 H ATOM 140 N GLN A 13 15.875 9.298 -6.034 1.00 15.42 N ATOM 141 CA GLN A 13 16.008 8.758 -7.359 1.00 16.44 C ATOM 142 C GLN A 13 14.575 8.569 -7.836 1.00 18.39 C ATOM 143 O GLN A 13 13.793 7.840 -7.240 1.00 19.70 O ATOM 144 CB GLN A 13 16.781 7.447 -7.292 1.00 17.54 C ATOM 145 CG GLN A 13 17.403 7.058 -8.619 1.00 20.75 C ATOM 146 CD GLN A 13 18.238 5.812 -8.517 1.00 21.50 C ATOM 147 OE1 GLN A 13 17.725 4.698 -8.576 1.00 22.25 O ATOM 148 NE2 GLN A 13 19.537 5.992 -8.347 1.00 24.06 N ATOM 149 HA GLN A 13 16.562 9.398 -8.045 1.00 0.00 H ATOM 150 HB2 GLN A 13 17.575 7.549 -6.552 1.00 0.00 H ATOM 151 HB3 GLN A 13 16.098 6.656 -6.983 1.00 0.00 H ATOM 152 HG2 GLN A 13 16.606 6.887 -9.343 1.00 0.00 H ATOM 153 HG3 GLN A 13 18.035 7.876 -8.963 1.00 0.00 H ATOM 154 HE22 GLN A 13 19.927 6.955 -8.303 1.00 0.00 H ATOM 155 HE21 GLN A 13 20.168 5.171 -8.257 1.00 0.00 H ATOM 156 H GLN A 13 15.418 8.724 -5.297 1.00 0.00 H ATOM 157 N LYS A 14 14.239 9.244 -8.924 1.00 18.98 N ATOM 158 CA LYS A 14 12.890 9.269 -9.442 1.00 18.63 C ATOM 159 C LYS A 14 12.064 8.007 -9.631 1.00 18.14 C ATOM 160 O LYS A 14 12.488 7.047 -10.259 1.00 19.22 O ATOM 161 CB LYS A 14 12.897 10.096 -10.737 1.00 19.79 C ATOM 162 CG LYS A 14 11.597 10.211 -11.514 1.00 21.69 C ATOM 163 CD LYS A 14 11.965 10.684 -12.941 1.00 27.27 C ATOM 164 CE LYS A 14 10.806 10.892 -13.915 1.00 28.56 C ATOM 165 NZ LYS A 14 11.348 11.453 -15.222 1.00 31.47 N ATOM 166 HA LYS A 14 12.345 9.697 -8.601 1.00 0.00 H ATOM 167 HB2 LYS A 14 13.209 11.107 -10.475 1.00 0.00 H ATOM 168 HB3 LYS A 14 13.635 9.650 -11.403 1.00 0.00 H ATOM 169 HG2 LYS A 14 11.099 9.242 -11.557 1.00 0.00 H ATOM 170 HG3 LYS A 14 10.938 10.936 -11.037 1.00 0.00 H ATOM 171 HD2 LYS A 14 12.494 11.633 -12.849 1.00 0.00 H ATOM 172 HD3 LYS A 14 12.632 9.939 -13.375 1.00 0.00 H ATOM 173 HE2 LYS A 14 10.090 11.593 -13.486 1.00 0.00 H ATOM 174 HE3 LYS A 14 10.312 9.939 -14.104 1.00 0.00 H ATOM 175 HZ1 LYS A 14 11.819 12.362 -15.039 1.00 0.00 H ATOM 176 HZ2 LYS A 14 12.031 10.783 -15.629 1.00 0.00 H ATOM 177 HZ3 LYS A 14 10.563 11.596 -15.888 1.00 0.00 H ATOM 178 H LYS A 14 14.976 9.778 -9.427 1.00 0.00 H ATOM 179 N THR A 15 10.867 8.044 -9.060 1.00 17.61 N ATOM 180 CA THR A 15 9.868 6.994 -9.168 1.00 17.93 C ATOM 181 C THR A 15 8.564 7.767 -9.256 1.00 19.06 C ATOM 182 O THR A 15 8.562 8.995 -9.112 1.00 20.55 O ATOM 183 CB THR A 15 9.792 6.120 -7.929 1.00 18.33 C ATOM 184 OG1 THR A 15 9.765 6.958 -6.769 1.00 16.77 O ATOM 185 CG2 THR A 15 10.977 5.147 -7.877 1.00 18.07 C ATOM 186 HA THR A 15 10.091 6.334 -10.006 1.00 0.00 H ATOM 187 HB THR A 15 8.881 5.523 -7.961 1.00 0.00 H ATOM 188 HG1 THR A 15 9.715 6.394 -5.957 1.00 0.00 H ATOM 189 HG23 THR A 15 10.973 4.523 -8.771 1.00 0.00 H ATOM 190 HG21 THR A 15 11.908 5.712 -7.832 1.00 0.00 H ATOM 191 HG22 THR A 15 10.890 4.517 -6.992 1.00 0.00 H ATOM 192 H THR A 15 10.627 8.884 -8.495 1.00 0.00 H ATOM 193 N GLU A 16 7.454 7.071 -9.475 1.00 18.52 N ATOM 194 CA GLU A 16 6.179 7.749 -9.569 1.00 17.56 C ATOM 195 C GLU A 16 5.798 8.377 -8.226 1.00 17.96 C ATOM 196 O GLU A 16 5.308 9.498 -8.161 1.00 17.38 O ATOM 197 CB GLU A 16 5.095 6.781 -10.003 1.00 17.48 C ATOM 198 CG GLU A 16 3.800 7.481 -10.284 1.00 20.52 C ATOM 199 CD GLU A 16 2.636 6.527 -10.394 1.00 25.14 C ATOM 200 OE1 GLU A 16 2.693 5.586 -11.230 1.00 25.35 O ATOM 201 OE2 GLU A 16 1.662 6.724 -9.632 1.00 24.59 O ATOM 202 HA GLU A 16 6.273 8.539 -10.314 1.00 0.00 H ATOM 203 HB2 GLU A 16 5.422 6.268 -10.907 1.00 0.00 H ATOM 204 HB3 GLU A 16 4.936 6.051 -9.210 1.00 0.00 H ATOM 205 HG2 GLU A 16 3.600 8.184 -9.475 1.00 0.00 H ATOM 206 HG3 GLU A 16 3.894 8.027 -11.223 1.00 0.00 H ATOM 207 H GLU A 16 7.501 6.037 -9.579 1.00 0.00 H ATOM 208 N ALA A 17 6.055 7.642 -7.153 1.00 17.51 N ATOM 209 CA ALA A 17 5.722 8.094 -5.825 1.00 16.84 C ATOM 210 C ALA A 17 6.474 9.341 -5.451 1.00 17.00 C ATOM 211 O ALA A 17 5.866 10.280 -4.928 1.00 17.11 O ATOM 212 CB ALA A 17 6.002 7.008 -4.828 1.00 16.76 C ATOM 213 HA ALA A 17 4.659 8.335 -5.816 1.00 0.00 H ATOM 214 HB1 ALA A 17 5.402 6.131 -5.070 1.00 0.00 H ATOM 215 HB2 ALA A 17 7.060 6.747 -4.864 1.00 0.00 H ATOM 216 HB3 ALA A 17 5.747 7.360 -3.828 1.00 0.00 H ATOM 217 H ALA A 17 6.509 6.714 -7.272 1.00 0.00 H ATOM 218 N SER A 18 7.782 9.370 -5.700 1.00 15.48 N ATOM 219 CA SER A 18 8.549 10.569 -5.347 1.00 16.53 C ATOM 220 C SER A 18 8.169 11.787 -6.238 1.00 16.71 C ATOM 221 O SER A 18 8.218 12.958 -5.796 1.00 14.62 O ATOM 222 CB SER A 18 10.058 10.298 -5.389 1.00 15.20 C ATOM 223 OG SER A 18 10.543 10.090 -6.711 1.00 18.12 O ATOM 224 HA SER A 18 8.285 10.827 -4.322 1.00 0.00 H ATOM 225 HB2 SER A 18 10.269 9.408 -4.796 1.00 0.00 H ATOM 226 HB3 SER A 18 10.578 11.153 -4.957 1.00 0.00 H ATOM 227 HG SER A 18 10.083 9.310 -7.111 1.00 0.00 H ATOM 228 H SER A 18 8.253 8.553 -6.139 1.00 0.00 H ATOM 229 N GLU A 19 7.774 11.538 -7.481 1.00 17.25 N ATOM 230 CA GLU A 19 7.373 12.670 -8.286 1.00 21.03 C ATOM 231 C GLU A 19 6.075 13.283 -7.711 1.00 21.19 C ATOM 232 O GLU A 19 5.959 14.502 -7.559 1.00 19.72 O ATOM 233 CB GLU A 19 7.165 12.256 -9.718 1.00 25.04 C ATOM 234 CG GLU A 19 8.437 11.884 -10.392 1.00 33.54 C ATOM 235 CD GLU A 19 8.521 12.460 -11.786 1.00 38.96 C ATOM 236 OE1 GLU A 19 7.607 12.161 -12.608 1.00 40.64 O ATOM 237 OE2 GLU A 19 9.500 13.212 -12.046 1.00 42.62 O ATOM 238 HA GLU A 19 8.165 13.418 -8.260 1.00 0.00 H ATOM 239 HB2 GLU A 19 6.493 11.398 -9.740 1.00 0.00 H ATOM 240 HB3 GLU A 19 6.711 13.086 -10.260 1.00 0.00 H ATOM 241 HG2 GLU A 19 9.273 12.261 -9.803 1.00 0.00 H ATOM 242 HG3 GLU A 19 8.499 10.798 -10.454 1.00 0.00 H ATOM 243 H GLU A 19 7.754 10.570 -7.860 1.00 0.00 H ATOM 244 N ARG A 20 5.118 12.421 -7.373 1.00 19.27 N ATOM 245 CA ARG A 20 3.863 12.857 -6.800 1.00 17.90 C ATOM 246 C ARG A 20 4.099 13.760 -5.560 1.00 19.31 C ATOM 247 O ARG A 20 3.440 14.797 -5.387 1.00 21.19 O ATOM 248 CB ARG A 20 3.055 11.606 -6.445 1.00 16.08 C ATOM 249 CG ARG A 20 1.819 11.811 -5.598 1.00 14.76 C ATOM 250 CD ARG A 20 1.049 10.527 -5.494 1.00 14.17 C ATOM 251 NE ARG A 20 1.706 9.570 -4.619 1.00 16.70 N ATOM 252 CZ ARG A 20 1.841 8.269 -4.871 1.00 16.41 C ATOM 253 NH1 ARG A 20 1.382 7.726 -5.989 1.00 14.30 N ATOM 254 NH2 ARG A 20 2.394 7.493 -3.963 1.00 17.72 N ATOM 255 HA ARG A 20 3.308 13.463 -7.516 1.00 0.00 H ATOM 256 HB2 ARG A 20 2.742 11.139 -7.379 1.00 0.00 H ATOM 257 HB3 ARG A 20 3.716 10.928 -5.905 1.00 0.00 H ATOM 258 HG2 ARG A 20 2.114 12.137 -4.601 1.00 0.00 H ATOM 259 HG3 ARG A 20 1.189 12.574 -6.056 1.00 0.00 H ATOM 260 HD2 ARG A 20 0.956 10.090 -6.488 1.00 0.00 H ATOM 261 HD3 ARG A 20 0.056 10.742 -5.099 1.00 0.00 H ATOM 262 HE ARG A 20 2.101 9.929 -3.727 1.00 0.00 H ATOM 263 HH12 ARG A 20 1.501 6.707 -6.159 1.00 0.00 H ATOM 264 HH11 ARG A 20 0.902 8.319 -6.696 1.00 0.00 H ATOM 265 HH22 ARG A 20 2.506 6.475 -4.147 1.00 0.00 H ATOM 266 HH21 ARG A 20 2.719 7.897 -3.062 1.00 0.00 H ATOM 267 H ARG A 20 5.277 11.405 -7.525 1.00 0.00 H ATOM 268 N CYS A 21 5.053 13.365 -4.715 1.00 18.08 N ATOM 269 CA CYS A 21 5.392 14.096 -3.503 1.00 16.79 C ATOM 270 C CYS A 21 6.426 15.198 -3.734 1.00 18.08 C ATOM 271 O CYS A 21 6.884 15.830 -2.792 1.00 15.17 O ATOM 272 CB CYS A 21 5.905 13.131 -2.442 1.00 15.93 C ATOM 273 SG CYS A 21 4.614 11.987 -1.908 1.00 15.91 S ATOM 274 HA CYS A 21 4.477 14.583 -3.166 1.00 0.00 H ATOM 275 HB2 CYS A 21 6.251 13.702 -1.581 1.00 0.00 H ATOM 276 HB3 CYS A 21 6.736 12.560 -2.855 1.00 0.00 H ATOM 277 HG CYS A 21 5.124 11.135 -0.950 1.00 0.00 H ATOM 278 H CYS A 21 5.579 12.494 -4.932 1.00 0.00 H ATOM 279 N GLY A 22 6.800 15.418 -4.993 1.00 19.60 N ATOM 280 CA GLY A 22 7.762 16.463 -5.297 1.00 20.80 C ATOM 281 C GLY A 22 9.201 16.326 -4.802 1.00 22.46 C ATOM 282 O GLY A 22 9.884 17.352 -4.664 1.00 23.26 O ATOM 283 HA3 GLY A 22 7.369 17.389 -4.877 1.00 0.00 H ATOM 284 HA2 GLY A 22 7.806 16.548 -6.383 1.00 0.00 H ATOM 285 H GLY A 22 6.402 14.840 -5.761 1.00 0.00 H ATOM 286 N LEU A 23 9.691 15.106 -4.576 1.00 21.49 N ATOM 287 CA LEU A 23 11.066 14.951 -4.106 1.00 23.39 C ATOM 288 C LEU A 23 12.086 15.281 -5.195 1.00 24.48 C ATOM 289 O LEU A 23 11.936 14.857 -6.343 1.00 24.84 O ATOM 290 CB LEU A 23 11.284 13.531 -3.569 1.00 21.74 C ATOM 291 CG LEU A 23 10.271 13.132 -2.486 1.00 21.89 C ATOM 292 CD1 LEU A 23 10.803 11.920 -1.726 1.00 19.28 C ATOM 293 CD2 LEU A 23 10.007 14.311 -1.547 1.00 17.76 C ATOM 294 HA LEU A 23 11.221 15.665 -3.297 1.00 0.00 H ATOM 295 HB2 LEU A 23 11.199 12.830 -4.399 1.00 0.00 H ATOM 296 HB3 LEU A 23 12.286 13.471 -3.145 1.00 0.00 H ATOM 297 HG LEU A 23 9.321 12.863 -2.948 1.00 0.00 H ATOM 298 HD21 LEU A 23 10.940 14.610 -1.070 1.00 0.00 H ATOM 299 HD22 LEU A 23 9.606 15.147 -2.120 1.00 0.00 H ATOM 300 HD23 LEU A 23 9.287 14.013 -0.785 1.00 0.00 H ATOM 301 HD11 LEU A 23 10.944 11.091 -2.420 1.00 0.00 H ATOM 302 HD12 LEU A 23 11.756 12.174 -1.262 1.00 0.00 H ATOM 303 HD13 LEU A 23 10.087 11.633 -0.956 1.00 0.00 H ATOM 304 H LEU A 23 9.096 14.268 -4.734 1.00 0.00 H ATOM 305 N GLN A 24 13.130 16.025 -4.854 1.00 25.30 N ATOM 306 CA GLN A 24 14.088 16.377 -5.891 1.00 28.04 C ATOM 307 C GLN A 24 15.547 15.924 -5.652 1.00 27.43 C ATOM 308 O GLN A 24 16.029 14.978 -6.303 1.00 30.10 O ATOM 309 CB GLN A 24 14.025 17.895 -6.170 1.00 31.77 C ATOM 310 CG GLN A 24 12.608 18.456 -6.560 1.00 37.25 C ATOM 311 CD GLN A 24 11.927 19.361 -5.472 1.00 40.82 C ATOM 312 OE1 GLN A 24 12.492 19.621 -4.391 1.00 41.30 O ATOM 313 NE2 GLN A 24 10.711 19.839 -5.776 1.00 41.64 N ATOM 314 HA GLN A 24 13.777 15.806 -6.766 1.00 0.00 H ATOM 315 HB2 GLN A 24 14.356 18.415 -5.271 1.00 0.00 H ATOM 316 HB3 GLN A 24 14.710 18.114 -6.989 1.00 0.00 H ATOM 317 HG2 GLN A 24 12.717 19.046 -7.470 1.00 0.00 H ATOM 318 HG3 GLN A 24 11.951 17.608 -6.754 1.00 0.00 H ATOM 319 HE22 GLN A 24 10.271 19.600 -6.688 1.00 0.00 H ATOM 320 HE21 GLN A 24 10.208 20.448 -5.100 1.00 0.00 H ATOM 321 H GLN A 24 13.260 16.347 -3.874 1.00 0.00 H ATOM 322 N GLY A 25 16.264 16.547 -4.732 1.00 24.02 N ATOM 323 CA GLY A 25 17.643 16.136 -4.545 1.00 21.91 C ATOM 324 C GLY A 25 17.992 15.295 -3.335 1.00 22.84 C ATOM 325 O GLY A 25 17.511 14.176 -3.170 1.00 24.95 O ATOM 326 HA3 GLY A 25 18.244 17.044 -4.490 1.00 0.00 H ATOM 327 HA2 GLY A 25 17.930 15.564 -5.427 1.00 0.00 H ATOM 328 H GLY A 25 15.851 17.310 -4.159 1.00 0.00 H ATOM 329 N SER A 26 18.842 15.844 -2.476 1.00 22.05 N ATOM 330 CA SER A 26 19.302 15.158 -1.285 1.00 20.16 C ATOM 331 C SER A 26 18.450 15.511 -0.086 1.00 19.49 C ATOM 332 O SER A 26 17.931 16.603 -0.013 1.00 19.71 O ATOM 333 CB SER A 26 20.748 15.528 -1.007 1.00 19.85 C ATOM 334 OG SER A 26 21.522 15.263 -2.142 1.00 21.50 O ATOM 335 HA SER A 26 19.221 14.085 -1.459 1.00 0.00 H ATOM 336 HB2 SER A 26 21.119 14.940 -0.168 1.00 0.00 H ATOM 337 HB3 SER A 26 20.812 16.588 -0.762 1.00 0.00 H ATOM 338 HG SER A 26 21.463 14.300 -2.363 1.00 0.00 H ATOM 339 H SER A 26 19.192 16.805 -2.665 1.00 0.00 H ATOM 340 N TYR A 27 18.360 14.576 0.863 1.00 18.79 N ATOM 341 CA TYR A 27 17.526 14.694 2.053 1.00 17.38 C ATOM 342 C TYR A 27 18.129 13.914 3.197 1.00 17.35 C ATOM 343 O TYR A 27 19.067 13.151 3.030 1.00 18.07 O ATOM 344 CB TYR A 27 16.151 14.030 1.824 1.00 16.16 C ATOM 345 CG TYR A 27 15.225 14.712 0.886 1.00 16.24 C ATOM 346 CD1 TYR A 27 15.282 14.459 -0.468 1.00 17.88 C ATOM 347 CD2 TYR A 27 14.276 15.619 1.350 1.00 18.32 C ATOM 348 CE1 TYR A 27 14.422 15.082 -1.354 1.00 20.16 C ATOM 349 CE2 TYR A 27 13.401 16.257 0.467 1.00 19.63 C ATOM 350 CZ TYR A 27 13.482 15.984 -0.891 1.00 20.28 C ATOM 351 OH TYR A 27 12.647 16.629 -1.803 1.00 23.21 O ATOM 352 HA TYR A 27 17.442 15.759 2.268 1.00 0.00 H ATOM 353 HB3 TYR A 27 15.652 13.964 2.791 1.00 0.00 H ATOM 354 HB2 TYR A 27 16.330 13.026 1.439 1.00 0.00 H ATOM 355 HD2 TYR A 27 14.215 15.834 2.417 1.00 0.00 H ATOM 356 HE2 TYR A 27 12.661 16.964 0.842 1.00 0.00 H ATOM 357 HE1 TYR A 27 14.485 14.861 -2.420 1.00 0.00 H ATOM 358 HD1 TYR A 27 16.020 13.753 -0.848 1.00 0.00 H ATOM 359 HH TYR A 27 12.849 16.308 -2.718 1.00 0.00 H ATOM 360 H TYR A 27 18.921 13.708 0.746 1.00 0.00 H ATOM 361 N ILE A 28 17.542 14.079 4.365 1.00 16.37 N ATOM 362 CA ILE A 28 17.971 13.289 5.484 1.00 17.34 C ATOM 363 C ILE A 28 16.890 12.213 5.586 1.00 17.29 C ATOM 364 O ILE A 28 15.702 12.523 5.433 1.00 20.11 O ATOM 365 CB ILE A 28 18.012 14.120 6.797 1.00 18.47 C ATOM 366 CG1 ILE A 28 19.376 14.766 6.932 1.00 18.97 C ATOM 367 CG2 ILE A 28 17.750 13.239 8.011 1.00 17.79 C ATOM 368 CD1 ILE A 28 19.467 15.696 8.082 1.00 22.84 C ATOM 369 HA ILE A 28 18.979 12.897 5.348 1.00 0.00 H ATOM 370 HB ILE A 28 17.234 14.882 6.751 1.00 0.00 H ATOM 371 HG12 ILE A 28 20.121 13.981 7.061 1.00 0.00 H ATOM 372 HG13 ILE A 28 19.589 15.321 6.019 1.00 0.00 H ATOM 373 HD11 ILE A 28 18.734 16.493 7.962 1.00 0.00 H ATOM 374 HD12 ILE A 28 19.266 15.152 9.005 1.00 0.00 H ATOM 375 HD13 ILE A 28 20.468 16.125 8.123 1.00 0.00 H ATOM 376 HG21 ILE A 28 16.766 12.779 7.919 1.00 0.00 H ATOM 377 HG22 ILE A 28 18.512 12.462 8.065 1.00 0.00 H ATOM 378 HG23 ILE A 28 17.785 13.848 8.914 1.00 0.00 H ATOM 379 H ILE A 28 16.776 14.774 4.475 1.00 0.00 H ATOM 380 N LEU A 29 17.285 10.957 5.767 1.00 14.71 N ATOM 381 CA LEU A 29 16.308 9.886 5.961 1.00 13.88 C ATOM 382 C LEU A 29 16.602 9.348 7.364 1.00 13.90 C ATOM 383 O LEU A 29 17.691 8.855 7.626 1.00 13.29 O ATOM 384 CB LEU A 29 16.471 8.756 4.923 1.00 10.82 C ATOM 385 CG LEU A 29 15.541 7.531 5.097 1.00 8.55 C ATOM 386 CD1 LEU A 29 14.066 7.918 4.925 1.00 8.50 C ATOM 387 CD2 LEU A 29 15.902 6.469 4.106 1.00 7.31 C ATOM 388 HA LEU A 29 15.290 10.257 5.844 1.00 0.00 H ATOM 389 HB2 LEU A 29 16.283 9.180 3.937 1.00 0.00 H ATOM 390 HB3 LEU A 29 17.501 8.402 4.974 1.00 0.00 H ATOM 391 HG LEU A 29 15.677 7.150 6.109 1.00 0.00 H ATOM 392 HD21 LEU A 29 15.791 6.864 3.096 1.00 0.00 H ATOM 393 HD22 LEU A 29 16.935 6.161 4.266 1.00 0.00 H ATOM 394 HD23 LEU A 29 15.242 5.612 4.237 1.00 0.00 H ATOM 395 HD11 LEU A 29 13.798 8.665 5.672 1.00 0.00 H ATOM 396 HD12 LEU A 29 13.914 8.329 3.927 1.00 0.00 H ATOM 397 HD13 LEU A 29 13.442 7.033 5.054 1.00 0.00 H ATOM 398 H LEU A 29 18.301 10.733 5.771 1.00 0.00 H ATOM 399 N ARG A 30 15.684 9.454 8.300 1.00 15.72 N ATOM 400 CA ARG A 30 16.080 8.893 9.584 1.00 19.97 C ATOM 401 C ARG A 30 15.184 7.753 10.035 1.00 20.76 C ATOM 402 O ARG A 30 13.963 7.799 9.822 1.00 22.95 O ATOM 403 CB ARG A 30 16.180 9.978 10.663 1.00 20.37 C ATOM 404 CG ARG A 30 14.888 10.424 11.245 1.00 23.36 C ATOM 405 CD ARG A 30 15.138 10.923 12.651 1.00 24.40 C ATOM 406 NE ARG A 30 15.958 12.128 12.672 1.00 24.87 N ATOM 407 CZ ARG A 30 15.486 13.338 12.985 1.00 26.36 C ATOM 408 NH1 ARG A 30 14.198 13.499 13.301 1.00 25.97 N ATOM 409 NH2 ARG A 30 16.295 14.393 12.995 1.00 25.53 N ATOM 410 HA ARG A 30 17.072 8.467 9.436 1.00 0.00 H ATOM 411 HB2 ARG A 30 16.797 9.590 11.473 1.00 0.00 H ATOM 412 HB3 ARG A 30 16.667 10.847 10.221 1.00 0.00 H ATOM 413 HG2 ARG A 30 14.470 11.228 10.639 1.00 0.00 H ATOM 414 HG3 ARG A 30 14.189 9.588 11.271 1.00 0.00 H ATOM 415 HD2 ARG A 30 15.648 10.142 13.215 1.00 0.00 H ATOM 416 HD3 ARG A 30 14.179 11.143 13.121 1.00 0.00 H ATOM 417 HE ARG A 30 16.966 12.041 12.430 1.00 0.00 H ATOM 418 HH12 ARG A 30 13.836 14.443 13.544 1.00 0.00 H ATOM 419 HH11 ARG A 30 13.557 12.680 13.304 1.00 0.00 H ATOM 420 HH22 ARG A 30 15.922 15.332 13.239 1.00 0.00 H ATOM 421 HH21 ARG A 30 17.301 14.279 12.758 1.00 0.00 H ATOM 422 H ARG A 30 14.758 9.899 8.138 1.00 0.00 H ATOM 423 N VAL A 31 15.791 6.721 10.629 1.00 19.74 N ATOM 424 CA VAL A 31 15.011 5.579 11.093 1.00 18.80 C ATOM 425 C VAL A 31 14.787 5.783 12.568 1.00 17.92 C ATOM 426 O VAL A 31 15.725 6.029 13.291 1.00 18.87 O ATOM 427 CB VAL A 31 15.724 4.197 10.756 1.00 19.31 C ATOM 428 CG1 VAL A 31 17.048 4.432 10.029 1.00 18.10 C ATOM 429 CG2 VAL A 31 15.901 3.360 11.993 1.00 15.61 C ATOM 430 HA VAL A 31 14.053 5.522 10.576 1.00 0.00 H ATOM 431 HB VAL A 31 15.078 3.635 10.082 1.00 0.00 H ATOM 432 HG11 VAL A 31 16.860 4.967 9.098 1.00 0.00 H ATOM 433 HG12 VAL A 31 17.709 5.024 10.663 1.00 0.00 H ATOM 434 HG13 VAL A 31 17.516 3.472 9.810 1.00 0.00 H ATOM 435 HG21 VAL A 31 16.515 3.902 12.712 1.00 0.00 H ATOM 436 HG22 VAL A 31 14.925 3.151 12.431 1.00 0.00 H ATOM 437 HG23 VAL A 31 16.391 2.423 11.729 1.00 0.00 H ATOM 438 H VAL A 31 16.823 6.732 10.761 1.00 0.00 H ATOM 439 N GLU A 32 13.516 5.733 12.977 1.00 18.01 N ATOM 440 CA GLU A 32 13.056 5.941 14.355 1.00 14.69 C ATOM 441 C GLU A 32 12.389 4.691 14.903 1.00 15.51 C ATOM 442 O GLU A 32 12.369 3.637 14.262 1.00 14.40 O ATOM 443 CB GLU A 32 12.056 7.086 14.418 1.00 12.78 C ATOM 444 CG GLU A 32 12.600 8.385 13.886 1.00 15.23 C ATOM 445 CD GLU A 32 11.563 9.488 13.811 1.00 14.51 C ATOM 446 OE1 GLU A 32 11.649 10.272 12.851 1.00 15.31 O ATOM 447 OE2 GLU A 32 10.684 9.574 14.705 1.00 14.04 O ATOM 448 HA GLU A 32 13.933 6.179 14.957 1.00 0.00 H ATOM 449 HB2 GLU A 32 11.179 6.812 13.831 1.00 0.00 H ATOM 450 HB3 GLU A 32 11.764 7.233 15.458 1.00 0.00 H ATOM 451 HG2 GLU A 32 13.408 8.714 14.539 1.00 0.00 H ATOM 452 HG3 GLU A 32 12.992 8.211 12.884 1.00 0.00 H ATOM 453 H GLU A 32 12.792 5.530 12.259 1.00 0.00 H ATOM 454 N ALA A 33 11.821 4.812 16.093 1.00 16.66 N ATOM 455 CA ALA A 33 11.196 3.652 16.722 1.00 18.92 C ATOM 456 C ALA A 33 9.995 3.091 15.973 1.00 18.67 C ATOM 457 O ALA A 33 9.875 1.867 15.879 1.00 21.26 O ATOM 458 CB ALA A 33 10.840 3.944 18.215 1.00 15.15 C ATOM 459 HA ALA A 33 11.950 2.866 16.680 1.00 0.00 H ATOM 460 HB1 ALA A 33 11.750 4.190 18.763 1.00 0.00 H ATOM 461 HB2 ALA A 33 10.147 4.783 18.264 1.00 0.00 H ATOM 462 HB3 ALA A 33 10.376 3.062 18.656 1.00 0.00 H ATOM 463 H ALA A 33 11.820 5.732 16.579 1.00 0.00 H ATOM 464 N GLU A 34 9.119 3.946 15.451 1.00 18.52 N ATOM 465 CA GLU A 34 7.933 3.458 14.711 1.00 18.27 C ATOM 466 C GLU A 34 7.802 3.916 13.270 1.00 17.70 C ATOM 467 O GLU A 34 6.796 3.613 12.644 1.00 17.86 O ATOM 468 CB GLU A 34 6.581 3.807 15.398 1.00 17.34 C ATOM 469 CG GLU A 34 6.479 5.043 16.300 1.00 17.52 C ATOM 470 CD GLU A 34 7.047 6.353 15.727 1.00 18.52 C ATOM 471 OE1 GLU A 34 6.286 7.321 15.503 1.00 17.48 O ATOM 472 OE2 GLU A 34 8.272 6.434 15.538 1.00 18.92 O ATOM 473 HA GLU A 34 8.126 2.385 14.721 1.00 0.00 H ATOM 474 HB2 GLU A 34 5.847 3.935 14.603 1.00 0.00 H ATOM 475 HB3 GLU A 34 6.306 2.947 16.009 1.00 0.00 H ATOM 476 HG2 GLU A 34 5.424 5.207 16.522 1.00 0.00 H ATOM 477 HG3 GLU A 34 7.014 4.825 17.224 1.00 0.00 H ATOM 478 H GLU A 34 9.269 4.969 15.564 1.00 0.00 H ATOM 479 N LYS A 35 8.788 4.619 12.723 1.00 15.85 N ATOM 480 CA LYS A 35 8.616 5.085 11.352 1.00 15.57 C ATOM 481 C LYS A 35 9.897 5.508 10.687 1.00 15.05 C ATOM 482 O LYS A 35 10.937 5.518 11.317 1.00 15.79 O ATOM 483 CB LYS A 35 7.637 6.289 11.350 1.00 15.13 C ATOM 484 CG LYS A 35 8.123 7.479 12.177 1.00 12.56 C ATOM 485 CD LYS A 35 7.069 8.586 12.248 1.00 15.87 C ATOM 486 CE LYS A 35 7.597 9.865 12.965 1.00 15.38 C ATOM 487 NZ LYS A 35 7.966 9.678 14.402 1.00 14.25 N ATOM 488 HA LYS A 35 8.228 4.240 10.783 1.00 0.00 H ATOM 489 HB2 LYS A 35 7.499 6.619 10.320 1.00 0.00 H ATOM 490 HB3 LYS A 35 6.681 5.956 11.755 1.00 0.00 H ATOM 491 HG2 LYS A 35 8.348 7.139 13.188 1.00 0.00 H ATOM 492 HG3 LYS A 35 9.028 7.881 11.721 1.00 0.00 H ATOM 493 HD2 LYS A 35 6.771 8.851 11.234 1.00 0.00 H ATOM 494 HD3 LYS A 35 6.203 8.211 12.794 1.00 0.00 H ATOM 495 HE2 LYS A 35 6.820 10.628 12.912 1.00 0.00 H ATOM 496 HE3 LYS A 35 8.482 10.211 12.431 1.00 0.00 H ATOM 497 HZ1 LYS A 35 7.131 9.361 14.935 1.00 0.00 H ATOM 498 HZ2 LYS A 35 8.718 8.963 14.475 1.00 0.00 H ATOM 499 HZ3 LYS A 35 8.305 10.581 14.792 1.00 0.00 H ATOM 500 H LYS A 35 9.656 4.830 13.256 1.00 0.00 H ATOM 501 N LEU A 36 9.808 5.843 9.401 1.00 15.18 N ATOM 502 CA LEU A 36 10.937 6.398 8.660 1.00 14.39 C ATOM 503 C LEU A 36 10.473 7.824 8.458 1.00 14.20 C ATOM 504 O LEU A 36 9.281 8.052 8.245 1.00 15.04 O ATOM 505 CB LEU A 36 11.129 5.754 7.276 1.00 15.53 C ATOM 506 CG LEU A 36 12.032 4.527 7.051 1.00 17.51 C ATOM 507 CD1 LEU A 36 12.242 4.295 5.526 1.00 17.41 C ATOM 508 CD2 LEU A 36 13.369 4.726 7.748 1.00 17.16 C ATOM 509 HA LEU A 36 11.884 6.256 9.181 1.00 0.00 H ATOM 510 HB2 LEU A 36 10.135 5.464 6.936 1.00 0.00 H ATOM 511 HB3 LEU A 36 11.518 6.539 6.628 1.00 0.00 H ATOM 512 HG LEU A 36 11.549 3.647 7.475 1.00 0.00 H ATOM 513 HD21 LEU A 36 13.860 5.611 7.343 1.00 0.00 H ATOM 514 HD22 LEU A 36 13.204 4.858 8.817 1.00 0.00 H ATOM 515 HD23 LEU A 36 13.998 3.852 7.581 1.00 0.00 H ATOM 516 HD11 LEU A 36 11.277 4.124 5.050 1.00 0.00 H ATOM 517 HD12 LEU A 36 12.714 5.174 5.088 1.00 0.00 H ATOM 518 HD13 LEU A 36 12.882 3.425 5.377 1.00 0.00 H ATOM 519 H LEU A 36 8.903 5.704 8.908 1.00 0.00 H ATOM 520 N THR A 37 11.382 8.786 8.550 1.00 14.02 N ATOM 521 CA THR A 37 11.008 10.180 8.332 1.00 15.63 C ATOM 522 C THR A 37 11.953 10.846 7.312 1.00 17.04 C ATOM 523 O THR A 37 13.170 10.610 7.319 1.00 18.29 O ATOM 524 CB THR A 37 11.059 10.971 9.643 1.00 16.37 C ATOM 525 OG1 THR A 37 10.075 10.457 10.529 1.00 20.26 O ATOM 526 CG2 THR A 37 10.779 12.451 9.397 1.00 14.59 C ATOM 527 HA THR A 37 9.989 10.188 7.944 1.00 0.00 H ATOM 528 HB THR A 37 12.055 10.871 10.074 1.00 0.00 H ATOM 529 HG1 THR A 37 10.102 10.963 11.379 1.00 0.00 H ATOM 530 HG23 THR A 37 11.530 12.854 8.717 1.00 0.00 H ATOM 531 HG21 THR A 37 9.789 12.564 8.954 1.00 0.00 H ATOM 532 HG22 THR A 37 10.818 12.989 10.344 1.00 0.00 H ATOM 533 H THR A 37 12.368 8.545 8.779 1.00 0.00 H ATOM 534 N LEU A 38 11.401 11.664 6.428 1.00 17.08 N ATOM 535 CA LEU A 38 12.234 12.350 5.438 1.00 17.96 C ATOM 536 C LEU A 38 12.341 13.801 5.879 1.00 19.42 C ATOM 537 O LEU A 38 11.326 14.463 6.100 1.00 20.56 O ATOM 538 CB LEU A 38 11.617 12.306 4.034 1.00 17.18 C ATOM 539 CG LEU A 38 12.597 12.587 2.881 1.00 16.39 C ATOM 540 CD1 LEU A 38 13.402 11.312 2.607 1.00 17.01 C ATOM 541 CD2 LEU A 38 11.860 13.029 1.616 1.00 12.93 C ATOM 542 HA LEU A 38 13.205 11.857 5.383 1.00 0.00 H ATOM 543 HB2 LEU A 38 11.192 11.314 3.882 1.00 0.00 H ATOM 544 HB3 LEU A 38 10.822 13.050 3.991 1.00 0.00 H ATOM 545 HG LEU A 38 13.263 13.401 3.169 1.00 0.00 H ATOM 546 HD21 LEU A 38 11.174 12.242 1.303 1.00 0.00 H ATOM 547 HD22 LEU A 38 11.299 13.940 1.823 1.00 0.00 H ATOM 548 HD23 LEU A 38 12.583 13.219 0.823 1.00 0.00 H ATOM 549 HD11 LEU A 38 13.953 11.032 3.505 1.00 0.00 H ATOM 550 HD12 LEU A 38 12.722 10.507 2.330 1.00 0.00 H ATOM 551 HD13 LEU A 38 14.102 11.494 1.792 1.00 0.00 H ATOM 552 H LEU A 38 10.373 11.819 6.437 1.00 0.00 H ATOM 553 N LEU A 39 13.566 14.292 6.024 1.00 18.31 N ATOM 554 CA LEU A 39 13.757 15.666 6.445 1.00 17.73 C ATOM 555 C LEU A 39 14.596 16.387 5.423 1.00 17.74 C ATOM 556 O LEU A 39 15.421 15.785 4.732 1.00 17.81 O ATOM 557 CB LEU A 39 14.433 15.732 7.831 1.00 14.94 C ATOM 558 CG LEU A 39 13.584 14.974 8.848 1.00 15.80 C ATOM 559 CD1 LEU A 39 14.380 13.815 9.369 1.00 14.73 C ATOM 560 CD2 LEU A 39 13.140 15.862 9.970 1.00 13.32 C ATOM 561 HA LEU A 39 12.782 16.147 6.525 1.00 0.00 H ATOM 562 HB2 LEU A 39 15.423 15.280 7.775 1.00 0.00 H ATOM 563 HB3 LEU A 39 14.528 16.773 8.140 1.00 0.00 H ATOM 564 HG LEU A 39 12.681 14.613 8.357 1.00 0.00 H ATOM 565 HD21 LEU A 39 14.015 16.263 10.483 1.00 0.00 H ATOM 566 HD22 LEU A 39 12.545 16.682 9.569 1.00 0.00 H ATOM 567 HD23 LEU A 39 12.538 15.285 10.672 1.00 0.00 H ATOM 568 HD11 LEU A 39 14.644 13.156 8.542 1.00 0.00 H ATOM 569 HD12 LEU A 39 15.288 14.184 9.845 1.00 0.00 H ATOM 570 HD13 LEU A 39 13.784 13.265 10.097 1.00 0.00 H ATOM 571 H LEU A 39 14.392 13.689 5.835 1.00 0.00 H ATOM 572 N THR A 40 14.365 17.681 5.336 1.00 18.17 N ATOM 573 CA THR A 40 15.101 18.516 4.438 1.00 20.88 C ATOM 574 C THR A 40 15.715 19.662 5.255 1.00 23.33 C ATOM 575 O THR A 40 15.430 19.837 6.454 1.00 23.14 O ATOM 576 CB THR A 40 14.176 19.030 3.295 1.00 22.07 C ATOM 577 OG1 THR A 40 14.939 19.854 2.402 1.00 24.59 O ATOM 578 CG2 THR A 40 12.987 19.786 3.857 1.00 19.10 C ATOM 579 HA THR A 40 15.904 17.958 3.955 1.00 0.00 H ATOM 580 HB THR A 40 13.783 18.177 2.742 1.00 0.00 H ATOM 581 HG1 THR A 40 14.353 20.182 1.675 1.00 0.00 H ATOM 582 HG23 THR A 40 12.429 19.135 4.530 1.00 0.00 H ATOM 583 HG21 THR A 40 13.340 20.660 4.405 1.00 0.00 H ATOM 584 HG22 THR A 40 12.341 20.105 3.039 1.00 0.00 H ATOM 585 H THR A 40 13.629 18.106 5.935 1.00 0.00 H ATOM 586 N LEU A 41 16.584 20.424 4.609 1.00 26.33 N ATOM 587 CA LEU A 41 17.277 21.522 5.253 1.00 28.94 C ATOM 588 C LEU A 41 16.870 22.897 4.724 1.00 33.23 C ATOM 589 O LEU A 41 17.056 23.218 3.527 1.00 33.31 O ATOM 590 CB LEU A 41 18.779 21.338 5.079 1.00 27.09 C ATOM 591 CG LEU A 41 19.414 20.083 5.671 1.00 28.17 C ATOM 592 CD1 LEU A 41 20.867 20.064 5.286 1.00 26.97 C ATOM 593 CD2 LEU A 41 19.258 20.048 7.211 1.00 27.13 C ATOM 594 HA LEU A 41 16.996 21.497 6.306 1.00 0.00 H ATOM 595 HB2 LEU A 41 18.985 21.333 4.009 1.00 0.00 H ATOM 596 HB3 LEU A 41 19.268 22.198 5.538 1.00 0.00 H ATOM 597 HG LEU A 41 18.910 19.200 5.278 1.00 0.00 H ATOM 598 HD21 LEU A 41 19.745 20.922 7.644 1.00 0.00 H ATOM 599 HD22 LEU A 41 18.199 20.056 7.468 1.00 0.00 H ATOM 600 HD23 LEU A 41 19.721 19.142 7.601 1.00 0.00 H ATOM 601 HD11 LEU A 41 20.954 20.051 4.200 1.00 0.00 H ATOM 602 HD12 LEU A 41 21.358 20.954 5.680 1.00 0.00 H ATOM 603 HD13 LEU A 41 21.340 19.173 5.700 1.00 0.00 H ATOM 604 H LEU A 41 16.776 20.228 3.606 1.00 0.00 H ATOM 605 N GLY A 42 16.324 23.703 5.638 1.00 37.71 N ATOM 606 CA GLY A 42 15.875 25.057 5.338 1.00 41.60 C ATOM 607 C GLY A 42 17.042 25.906 4.898 1.00 45.90 C ATOM 608 O GLY A 42 18.198 25.570 5.211 1.00 45.65 O ATOM 609 HA3 GLY A 42 15.427 25.494 6.230 1.00 0.00 H ATOM 610 HA2 GLY A 42 15.133 25.022 4.540 1.00 0.00 H ATOM 611 H GLY A 42 16.214 23.348 6.609 1.00 0.00 H ATOM 612 N ALA A 43 16.741 26.990 4.170 1.00 49.70 N ATOM 613 CA ALA A 43 17.766 27.901 3.657 1.00 52.82 C ATOM 614 C ALA A 43 19.134 27.446 4.142 1.00 55.13 C ATOM 615 O ALA A 43 19.618 26.355 3.781 1.00 56.82 O ATOM 616 CB ALA A 43 17.494 29.336 4.121 1.00 52.95 C ATOM 617 HA ALA A 43 17.742 27.884 2.567 1.00 0.00 H ATOM 618 HB1 ALA A 43 16.520 29.657 3.753 1.00 0.00 H ATOM 619 HB2 ALA A 43 17.502 29.372 5.210 1.00 0.00 H ATOM 620 HB3 ALA A 43 18.267 29.996 3.729 1.00 0.00 H ATOM 621 H ALA A 43 15.742 27.192 3.962 1.00 0.00 H ATOM 622 N GLN A 44 19.743 28.236 5.009 1.00 56.69 N ATOM 623 CA GLN A 44 21.040 27.842 5.465 1.00 57.85 C ATOM 624 C GLN A 44 21.549 28.344 6.821 1.00 57.61 C ATOM 625 O GLN A 44 21.811 29.524 7.081 1.00 58.15 O ATOM 626 CB GLN A 44 22.017 28.093 4.305 1.00 59.78 C ATOM 627 CG GLN A 44 23.238 28.919 4.591 1.00 65.56 C ATOM 628 CD GLN A 44 24.424 28.077 5.012 1.00 68.19 C ATOM 629 OE1 GLN A 44 25.580 28.478 4.813 1.00 71.04 O ATOM 630 NE2 GLN A 44 24.155 26.917 5.614 1.00 67.80 N ATOM 631 HA GLN A 44 20.956 26.787 5.725 1.00 0.00 H ATOM 632 HB2 GLN A 44 22.357 27.121 3.948 1.00 0.00 H ATOM 633 HB3 GLN A 44 21.461 28.595 3.513 1.00 0.00 H ATOM 634 HG2 GLN A 44 23.504 29.473 3.691 1.00 0.00 H ATOM 635 HG3 GLN A 44 23.006 29.621 5.392 1.00 0.00 H ATOM 636 HE22 GLN A 44 23.168 26.623 5.759 1.00 0.00 H ATOM 637 HE21 GLN A 44 24.932 26.307 5.938 1.00 0.00 H ATOM 638 H GLN A 44 19.296 29.112 5.347 1.00 0.00 H ATOM 639 N SER A 45 21.621 27.350 7.682 1.00 56.60 N ATOM 640 CA SER A 45 22.119 27.361 9.045 1.00 55.80 C ATOM 641 C SER A 45 22.198 25.855 8.978 1.00 55.82 C ATOM 642 O SER A 45 22.665 25.166 9.919 1.00 57.60 O ATOM 643 CB SER A 45 21.052 27.750 10.079 1.00 55.33 C ATOM 644 OG SER A 45 21.402 27.290 11.393 1.00 53.20 O ATOM 645 HA SER A 45 22.960 28.002 9.310 1.00 0.00 H ATOM 646 HB2 SER A 45 20.099 27.306 9.790 1.00 0.00 H ATOM 647 HB3 SER A 45 20.955 28.836 10.097 1.00 0.00 H ATOM 648 HG SER A 45 21.487 26.304 11.384 1.00 0.00 H ATOM 649 H SER A 45 21.274 26.432 7.338 1.00 0.00 H ATOM 650 N GLN A 46 21.720 25.378 7.815 1.00 52.95 N ATOM 651 CA GLN A 46 21.631 23.979 7.494 1.00 49.97 C ATOM 652 C GLN A 46 20.676 23.493 8.598 1.00 49.40 C ATOM 653 O GLN A 46 20.940 22.533 9.344 1.00 49.72 O ATOM 654 CB GLN A 46 23.035 23.375 7.539 1.00 49.67 C ATOM 655 CG GLN A 46 24.039 24.167 6.679 1.00 47.87 C ATOM 656 CD GLN A 46 25.428 24.351 7.340 1.00 48.74 C ATOM 657 OE1 GLN A 46 26.316 23.503 7.196 1.00 46.17 O ATOM 658 NE2 GLN A 46 25.608 25.476 8.074 1.00 47.86 N ATOM 659 HA GLN A 46 21.264 23.712 6.503 1.00 0.00 H ATOM 660 HB2 GLN A 46 23.383 23.372 8.572 1.00 0.00 H ATOM 661 HB3 GLN A 46 22.988 22.350 7.170 1.00 0.00 H ATOM 662 HG2 GLN A 46 24.175 23.638 5.736 1.00 0.00 H ATOM 663 HG3 GLN A 46 23.619 25.154 6.483 1.00 0.00 H ATOM 664 HE22 GLN A 46 24.834 26.164 8.169 1.00 0.00 H ATOM 665 HE21 GLN A 46 26.520 25.651 8.542 1.00 0.00 H ATOM 666 H GLN A 46 21.395 26.063 7.104 1.00 0.00 H ATOM 667 N ILE A 47 19.563 24.239 8.668 1.00 48.48 N ATOM 668 CA ILE A 47 18.416 24.093 9.594 1.00 46.72 C ATOM 669 C ILE A 47 17.410 23.055 9.066 1.00 45.96 C ATOM 670 O ILE A 47 17.159 23.025 7.871 1.00 44.20 O ATOM 671 CB ILE A 47 17.675 25.463 9.736 1.00 45.96 C ATOM 672 CG1 ILE A 47 17.779 26.284 8.414 1.00 43.26 C ATOM 673 CG2 ILE A 47 18.262 26.222 10.901 1.00 46.95 C ATOM 674 CD1 ILE A 47 16.737 27.351 8.233 1.00 38.32 C ATOM 675 HA ILE A 47 18.804 23.763 10.558 1.00 0.00 H ATOM 676 HB ILE A 47 16.616 25.288 9.926 1.00 0.00 H ATOM 677 HG12 ILE A 47 18.758 26.763 8.392 1.00 0.00 H ATOM 678 HG13 ILE A 47 17.697 25.588 7.579 1.00 0.00 H ATOM 679 HD11 ILE A 47 15.747 26.895 8.236 1.00 0.00 H ATOM 680 HD12 ILE A 47 16.809 28.070 9.049 1.00 0.00 H ATOM 681 HD13 ILE A 47 16.901 27.860 7.283 1.00 0.00 H ATOM 682 HG21 ILE A 47 18.136 25.639 11.813 1.00 0.00 H ATOM 683 HG22 ILE A 47 19.323 26.395 10.723 1.00 0.00 H ATOM 684 HG23 ILE A 47 17.749 27.178 11.005 1.00 0.00 H ATOM 685 H ILE A 47 19.497 25.020 7.984 1.00 0.00 H ATOM 686 N LEU A 48 16.808 22.245 9.942 1.00 45.70 N ATOM 687 CA LEU A 48 15.874 21.205 9.480 1.00 46.77 C ATOM 688 C LEU A 48 14.432 21.134 10.049 1.00 45.45 C ATOM 689 O LEU A 48 14.156 21.774 11.064 1.00 46.17 O ATOM 690 CB LEU A 48 16.539 19.838 9.688 1.00 48.25 C ATOM 691 CG LEU A 48 16.239 19.066 10.984 1.00 50.10 C ATOM 692 CD1 LEU A 48 16.151 20.018 12.194 1.00 50.65 C ATOM 693 CD2 LEU A 48 14.923 18.312 10.823 1.00 50.52 C ATOM 694 HA LEU A 48 15.698 21.497 8.445 1.00 0.00 H ATOM 695 HB2 LEU A 48 16.235 19.202 8.857 1.00 0.00 H ATOM 696 HB3 LEU A 48 17.617 19.995 9.649 1.00 0.00 H ATOM 697 HG LEU A 48 17.053 18.364 11.168 1.00 0.00 H ATOM 698 HD21 LEU A 48 14.121 19.023 10.625 1.00 0.00 H ATOM 699 HD22 LEU A 48 15.005 17.614 9.990 1.00 0.00 H ATOM 700 HD23 LEU A 48 14.706 17.763 11.739 1.00 0.00 H ATOM 701 HD11 LEU A 48 17.100 20.541 12.313 1.00 0.00 H ATOM 702 HD12 LEU A 48 15.353 20.742 12.028 1.00 0.00 H ATOM 703 HD13 LEU A 48 15.938 19.441 13.094 1.00 0.00 H ATOM 704 H LEU A 48 17.001 22.350 10.959 1.00 0.00 H ATOM 705 N GLU A 49 13.557 20.351 9.368 1.00 43.23 N ATOM 706 CA GLU A 49 12.135 20.033 9.719 1.00 41.27 C ATOM 707 C GLU A 49 11.621 18.832 8.874 1.00 39.95 C ATOM 708 O GLU A 49 12.145 18.565 7.772 1.00 39.00 O ATOM 709 CB GLU A 49 11.151 21.206 9.522 1.00 41.47 C ATOM 710 CG GLU A 49 11.763 22.544 9.176 1.00 44.66 C ATOM 711 CD GLU A 49 12.370 22.540 7.794 1.00 45.85 C ATOM 712 OE1 GLU A 49 13.173 23.456 7.489 1.00 46.81 O ATOM 713 OE2 GLU A 49 12.034 21.615 7.018 1.00 45.64 O ATOM 714 HA GLU A 49 12.157 19.798 10.783 1.00 0.00 H ATOM 715 HB2 GLU A 49 10.468 20.935 8.717 1.00 0.00 H ATOM 716 HB3 GLU A 49 10.589 21.327 10.448 1.00 0.00 H ATOM 717 HG2 GLU A 49 10.988 23.309 9.219 1.00 0.00 H ATOM 718 HG3 GLU A 49 12.541 22.775 9.903 1.00 0.00 H ATOM 719 H GLU A 49 13.918 19.918 8.494 1.00 0.00 H ATOM 720 N PRO A 50 10.582 18.104 9.377 1.00 37.82 N ATOM 721 CA PRO A 50 9.939 16.928 8.768 1.00 35.72 C ATOM 722 C PRO A 50 9.055 17.138 7.530 1.00 34.31 C ATOM 723 O PRO A 50 8.148 17.968 7.512 1.00 34.37 O ATOM 724 CB PRO A 50 9.139 16.338 9.917 1.00 34.94 C ATOM 725 CG PRO A 50 9.841 16.814 11.110 1.00 35.58 C ATOM 726 CD PRO A 50 10.093 18.240 10.754 1.00 36.86 C ATOM 727 HA PRO A 50 10.715 16.290 8.344 1.00 0.00 H ATOM 728 HD3 PRO A 50 9.178 18.831 10.798 1.00 0.00 H ATOM 729 HD2 PRO A 50 10.845 18.688 11.404 1.00 0.00 H ATOM 730 HG3 PRO A 50 10.773 16.271 11.268 1.00 0.00 H ATOM 731 HG2 PRO A 50 9.218 16.729 12.000 1.00 0.00 H ATOM 732 HB2 PRO A 50 8.111 16.699 9.901 1.00 0.00 H ATOM 733 HB3 PRO A 50 9.141 15.249 9.873 1.00 0.00 H ATOM 734 N LEU A 51 9.324 16.334 6.510 1.00 30.97 N ATOM 735 CA LEU A 51 8.609 16.391 5.258 1.00 28.35 C ATOM 736 C LEU A 51 7.579 15.260 5.094 1.00 27.19 C ATOM 737 O LEU A 51 6.413 15.526 4.792 1.00 26.56 O ATOM 738 CB LEU A 51 9.630 16.332 4.120 1.00 28.97 C ATOM 739 CG LEU A 51 9.644 17.449 3.081 1.00 30.81 C ATOM 740 CD1 LEU A 51 9.780 18.806 3.771 1.00 28.98 C ATOM 741 CD2 LEU A 51 10.795 17.209 2.107 1.00 29.91 C ATOM 742 HA LEU A 51 8.044 17.323 5.238 1.00 0.00 H ATOM 743 HB2 LEU A 51 10.619 16.309 4.578 1.00 0.00 H ATOM 744 HB3 LEU A 51 9.458 15.399 3.584 1.00 0.00 H ATOM 745 HG LEU A 51 8.707 17.451 2.525 1.00 0.00 H ATOM 746 HD21 LEU A 51 11.738 17.204 2.654 1.00 0.00 H ATOM 747 HD22 LEU A 51 10.656 16.248 1.612 1.00 0.00 H ATOM 748 HD23 LEU A 51 10.810 18.004 1.362 1.00 0.00 H ATOM 749 HD11 LEU A 51 8.937 18.955 4.446 1.00 0.00 H ATOM 750 HD12 LEU A 51 10.711 18.832 4.338 1.00 0.00 H ATOM 751 HD13 LEU A 51 9.789 19.595 3.019 1.00 0.00 H ATOM 752 H LEU A 51 10.084 15.632 6.617 1.00 0.00 H ATOM 753 N LEU A 52 8.017 14.013 5.312 1.00 24.23 N ATOM 754 CA LEU A 52 7.178 12.833 5.129 1.00 22.43 C ATOM 755 C LEU A 52 7.405 11.798 6.217 1.00 23.49 C ATOM 756 O LEU A 52 8.520 11.668 6.728 1.00 25.62 O ATOM 757 CB LEU A 52 7.484 12.185 3.776 1.00 19.45 C ATOM 758 CG LEU A 52 6.952 12.961 2.584 1.00 20.09 C ATOM 759 CD1 LEU A 52 7.508 12.387 1.264 1.00 20.10 C ATOM 760 CD2 LEU A 52 5.418 12.928 2.651 1.00 15.86 C ATOM 761 HA LEU A 52 6.141 13.165 5.176 1.00 0.00 H ATOM 762 HB2 LEU A 52 8.566 12.099 3.674 1.00 0.00 H ATOM 763 HB3 LEU A 52 7.039 11.190 3.764 1.00 0.00 H ATOM 764 HG LEU A 52 7.283 13.999 2.615 1.00 0.00 H ATOM 765 HD21 LEU A 52 5.076 11.894 2.613 1.00 0.00 H ATOM 766 HD22 LEU A 52 5.086 13.388 3.582 1.00 0.00 H ATOM 767 HD23 LEU A 52 5.007 13.479 1.805 1.00 0.00 H ATOM 768 HD11 LEU A 52 8.596 12.453 1.270 1.00 0.00 H ATOM 769 HD12 LEU A 52 7.207 11.344 1.168 1.00 0.00 H ATOM 770 HD13 LEU A 52 7.112 12.960 0.425 1.00 0.00 H ATOM 771 H LEU A 52 8.999 13.880 5.626 1.00 0.00 H ATOM 772 N PHE A 53 6.354 11.042 6.540 1.00 21.71 N ATOM 773 CA PHE A 53 6.416 10.007 7.568 1.00 20.27 C ATOM 774 C PHE A 53 5.988 8.687 6.990 1.00 19.14 C ATOM 775 O PHE A 53 4.926 8.576 6.379 1.00 20.07 O ATOM 776 CB PHE A 53 5.446 10.289 8.720 1.00 19.49 C ATOM 777 CG PHE A 53 5.821 11.440 9.564 1.00 21.78 C ATOM 778 CD1 PHE A 53 4.827 12.210 10.171 1.00 21.66 C ATOM 779 CD2 PHE A 53 7.164 11.756 9.801 1.00 21.95 C ATOM 780 CE1 PHE A 53 5.157 13.300 11.018 1.00 21.49 C ATOM 781 CE2 PHE A 53 7.512 12.840 10.645 1.00 21.93 C ATOM 782 CZ PHE A 53 6.502 13.617 11.256 1.00 21.62 C ATOM 783 HA PHE A 53 7.444 9.991 7.929 1.00 0.00 H ATOM 784 HB2 PHE A 53 4.460 10.483 8.297 1.00 0.00 H ATOM 785 HB3 PHE A 53 5.400 9.402 9.353 1.00 0.00 H ATOM 786 HD2 PHE A 53 7.949 11.163 9.332 1.00 0.00 H ATOM 787 HE2 PHE A 53 8.561 13.075 10.823 1.00 0.00 H ATOM 788 HZ PHE A 53 6.765 14.453 11.904 1.00 0.00 H ATOM 789 HE1 PHE A 53 4.367 13.889 11.483 1.00 0.00 H ATOM 790 HD1 PHE A 53 3.779 11.970 9.991 1.00 0.00 H ATOM 791 H PHE A 53 5.455 11.196 6.040 1.00 0.00 H ATOM 792 N TRP A 54 6.786 7.671 7.204 1.00 16.55 N ATOM 793 CA TRP A 54 6.367 6.380 6.744 1.00 16.09 C ATOM 794 C TRP A 54 6.291 5.466 7.952 1.00 16.45 C ATOM 795 O TRP A 54 7.275 4.841 8.307 1.00 15.57 O ATOM 796 CB TRP A 54 7.353 5.816 5.729 1.00 16.21 C ATOM 797 CG TRP A 54 7.305 6.507 4.393 1.00 16.96 C ATOM 798 CD1 TRP A 54 6.381 6.317 3.400 1.00 16.19 C ATOM 799 CD2 TRP A 54 8.252 7.466 3.896 1.00 15.94 C ATOM 800 NE1 TRP A 54 6.706 7.092 2.301 1.00 18.32 N ATOM 801 CE2 TRP A 54 7.843 7.809 2.576 1.00 16.78 C ATOM 802 CE3 TRP A 54 9.403 8.057 4.431 1.00 15.98 C ATOM 803 CZ2 TRP A 54 8.548 8.722 1.780 1.00 15.61 C ATOM 804 CZ3 TRP A 54 10.116 8.975 3.634 1.00 17.68 C ATOM 805 CH2 TRP A 54 9.675 9.295 2.314 1.00 17.22 C ATOM 806 HA TRP A 54 5.397 6.459 6.252 1.00 0.00 H ATOM 807 HB2 TRP A 54 8.360 5.917 6.134 1.00 0.00 H ATOM 808 HB3 TRP A 54 7.128 4.760 5.579 1.00 0.00 H ATOM 809 HE1 TRP A 54 6.173 7.126 1.408 1.00 0.00 H ATOM 810 HD1 TRP A 54 5.518 5.654 3.466 1.00 0.00 H ATOM 811 HZ2 TRP A 54 8.213 8.968 0.772 1.00 0.00 H ATOM 812 HH2 TRP A 54 10.245 10.009 1.719 1.00 0.00 H ATOM 813 HZ3 TRP A 54 11.015 9.447 4.030 1.00 0.00 H ATOM 814 HE3 TRP A 54 9.739 7.813 5.439 1.00 0.00 H ATOM 815 H TRP A 54 7.695 7.797 7.693 1.00 0.00 H ATOM 816 N PRO A 55 5.131 5.424 8.633 1.00 16.27 N ATOM 817 CA PRO A 55 4.977 4.549 9.802 1.00 16.96 C ATOM 818 C PRO A 55 5.343 3.127 9.349 1.00 18.16 C ATOM 819 O PRO A 55 5.006 2.740 8.231 1.00 21.03 O ATOM 820 CB PRO A 55 3.492 4.682 10.141 1.00 16.40 C ATOM 821 CG PRO A 55 3.176 6.069 9.744 1.00 16.62 C ATOM 822 CD PRO A 55 3.961 6.299 8.465 1.00 15.33 C ATOM 823 HA PRO A 55 5.600 4.789 10.664 1.00 0.00 H ATOM 824 HD3 PRO A 55 3.378 6.011 7.590 1.00 0.00 H ATOM 825 HD2 PRO A 55 4.262 7.342 8.372 1.00 0.00 H ATOM 826 HG3 PRO A 55 3.489 6.770 10.518 1.00 0.00 H ATOM 827 HG2 PRO A 55 2.107 6.182 9.564 1.00 0.00 H ATOM 828 HB2 PRO A 55 2.896 3.968 9.573 1.00 0.00 H ATOM 829 HB3 PRO A 55 3.319 4.532 11.207 1.00 0.00 H ATOM 830 N TYR A 56 6.028 2.348 10.191 1.00 18.13 N ATOM 831 CA TYR A 56 6.425 0.975 9.815 1.00 16.50 C ATOM 832 C TYR A 56 5.277 0.028 9.530 1.00 16.66 C ATOM 833 O TYR A 56 5.408 -0.841 8.666 1.00 18.47 O ATOM 834 CB TYR A 56 7.327 0.344 10.876 1.00 14.27 C ATOM 835 CG TYR A 56 8.657 1.034 11.051 1.00 12.94 C ATOM 836 CD1 TYR A 56 9.293 1.064 12.291 1.00 11.87 C ATOM 837 CD2 TYR A 56 9.296 1.642 9.979 1.00 12.32 C ATOM 838 CE1 TYR A 56 10.527 1.682 12.452 1.00 9.48 C ATOM 839 CE2 TYR A 56 10.535 2.253 10.141 1.00 11.05 C ATOM 840 CZ TYR A 56 11.143 2.266 11.373 1.00 9.07 C ATOM 841 OH TYR A 56 12.386 2.836 11.516 1.00 10.27 O ATOM 842 HA TYR A 56 6.963 1.109 8.877 1.00 0.00 H ATOM 843 HB3 TYR A 56 7.514 -0.692 10.593 1.00 0.00 H ATOM 844 HB2 TYR A 56 6.801 0.369 11.830 1.00 0.00 H ATOM 845 HD2 TYR A 56 8.821 1.641 8.998 1.00 0.00 H ATOM 846 HE2 TYR A 56 11.025 2.723 9.288 1.00 0.00 H ATOM 847 HE1 TYR A 56 11.004 1.703 13.432 1.00 0.00 H ATOM 848 HD1 TYR A 56 8.814 0.594 13.150 1.00 0.00 H ATOM 849 HH TYR A 56 12.676 2.761 12.460 1.00 0.00 H ATOM 850 H TYR A 56 6.287 2.715 11.129 1.00 0.00 H ATOM 851 N THR A 57 4.168 0.164 10.253 1.00 15.85 N ATOM 852 CA THR A 57 3.018 -0.699 10.010 1.00 16.22 C ATOM 853 C THR A 57 2.380 -0.357 8.669 1.00 16.58 C ATOM 854 O THR A 57 1.394 -0.964 8.281 1.00 16.10 O ATOM 855 CB THR A 57 1.925 -0.544 11.075 1.00 16.78 C ATOM 856 OG1 THR A 57 1.619 0.848 11.241 1.00 18.38 O ATOM 857 CG2 THR A 57 2.361 -1.158 12.378 1.00 14.82 C ATOM 858 HA THR A 57 3.399 -1.720 10.031 1.00 0.00 H ATOM 859 HB THR A 57 1.027 -1.069 10.748 1.00 0.00 H ATOM 860 HG1 THR A 57 0.914 0.950 11.928 1.00 0.00 H ATOM 861 HG23 THR A 57 2.587 -2.213 12.223 1.00 0.00 H ATOM 862 HG21 THR A 57 3.251 -0.644 12.740 1.00 0.00 H ATOM 863 HG22 THR A 57 1.560 -1.060 13.110 1.00 0.00 H ATOM 864 H THR A 57 4.121 0.890 10.996 1.00 0.00 H ATOM 865 N LEU A 58 2.946 0.623 7.970 1.00 16.59 N ATOM 866 CA LEU A 58 2.417 1.035 6.679 1.00 17.56 C ATOM 867 C LEU A 58 3.421 0.848 5.536 1.00 17.74 C ATOM 868 O LEU A 58 3.185 1.314 4.419 1.00 15.81 O ATOM 869 CB LEU A 58 1.964 2.489 6.750 1.00 19.40 C ATOM 870 CG LEU A 58 0.510 2.795 7.104 1.00 19.89 C ATOM 871 CD1 LEU A 58 0.036 1.946 8.256 1.00 21.13 C ATOM 872 CD2 LEU A 58 0.401 4.272 7.433 1.00 21.19 C ATOM 873 HA LEU A 58 1.567 0.389 6.457 1.00 0.00 H ATOM 874 HB2 LEU A 58 2.586 2.981 7.498 1.00 0.00 H ATOM 875 HB3 LEU A 58 2.155 2.931 5.772 1.00 0.00 H ATOM 876 HG LEU A 58 -0.131 2.557 6.255 1.00 0.00 H ATOM 877 HD21 LEU A 58 1.049 4.503 8.278 1.00 0.00 H ATOM 878 HD22 LEU A 58 0.707 4.859 6.567 1.00 0.00 H ATOM 879 HD23 LEU A 58 -0.631 4.511 7.689 1.00 0.00 H ATOM 880 HD11 LEU A 58 0.113 0.893 7.986 1.00 0.00 H ATOM 881 HD12 LEU A 58 0.655 2.144 9.131 1.00 0.00 H ATOM 882 HD13 LEU A 58 -1.002 2.189 8.482 1.00 0.00 H ATOM 883 H LEU A 58 3.784 1.105 8.354 1.00 0.00 H ATOM 884 N LEU A 59 4.540 0.174 5.843 1.00 17.47 N ATOM 885 CA LEU A 59 5.583 -0.134 4.863 1.00 16.74 C ATOM 886 C LEU A 59 5.388 -1.566 4.420 1.00 16.56 C ATOM 887 O LEU A 59 5.477 -2.492 5.223 1.00 17.44 O ATOM 888 CB LEU A 59 6.977 -0.029 5.474 1.00 17.63 C ATOM 889 CG LEU A 59 7.863 1.193 5.236 1.00 19.40 C ATOM 890 CD1 LEU A 59 7.010 2.381 4.901 1.00 19.66 C ATOM 891 CD2 LEU A 59 8.726 1.447 6.476 1.00 18.18 C ATOM 892 HA LEU A 59 5.506 0.575 4.039 1.00 0.00 H ATOM 893 HB2 LEU A 59 6.847 -0.109 6.553 1.00 0.00 H ATOM 894 HB3 LEU A 59 7.538 -0.891 5.112 1.00 0.00 H ATOM 895 HG LEU A 59 8.529 1.013 4.392 1.00 0.00 H ATOM 896 HD21 LEU A 59 8.081 1.627 7.336 1.00 0.00 H ATOM 897 HD22 LEU A 59 9.352 0.575 6.666 1.00 0.00 H ATOM 898 HD23 LEU A 59 9.358 2.319 6.305 1.00 0.00 H ATOM 899 HD11 LEU A 59 6.435 2.171 3.999 1.00 0.00 H ATOM 900 HD12 LEU A 59 6.330 2.583 5.729 1.00 0.00 H ATOM 901 HD13 LEU A 59 7.648 3.249 4.733 1.00 0.00 H ATOM 902 H LEU A 59 4.673 -0.145 6.824 1.00 0.00 H ATOM 903 N ARG A 60 5.130 -1.753 3.139 1.00 15.61 N ATOM 904 CA ARG A 60 4.946 -3.078 2.603 1.00 16.25 C ATOM 905 C ARG A 60 6.212 -3.906 2.629 1.00 16.44 C ATOM 906 O ARG A 60 6.204 -5.026 3.079 1.00 17.77 O ATOM 907 CB ARG A 60 4.455 -2.996 1.157 1.00 15.65 C ATOM 908 CG ARG A 60 3.029 -2.549 1.015 1.00 15.68 C ATOM 909 CD ARG A 60 2.681 -2.336 -0.469 1.00 16.12 C ATOM 910 NE ARG A 60 1.311 -1.871 -0.615 1.00 13.34 N ATOM 911 CZ ARG A 60 0.927 -0.927 -1.455 1.00 14.49 C ATOM 912 NH1 ARG A 60 1.798 -0.344 -2.256 1.00 13.56 N ATOM 913 NH2 ARG A 60 -0.329 -0.518 -1.439 1.00 16.25 N ATOM 914 HA ARG A 60 4.209 -3.566 3.241 1.00 0.00 H ATOM 915 HB2 ARG A 60 5.089 -2.291 0.620 1.00 0.00 H ATOM 916 HB3 ARG A 60 4.550 -3.984 0.707 1.00 0.00 H ATOM 917 HG2 ARG A 60 2.370 -3.310 1.434 1.00 0.00 H ATOM 918 HG3 ARG A 60 2.890 -1.613 1.555 1.00 0.00 H ATOM 919 HD2 ARG A 60 2.798 -3.279 -1.003 1.00 0.00 H ATOM 920 HD3 ARG A 60 3.358 -1.594 -0.892 1.00 0.00 H ATOM 921 HE ARG A 60 0.584 -2.312 -0.017 1.00 0.00 H ATOM 922 HH12 ARG A 60 1.484 0.398 -2.913 1.00 0.00 H ATOM 923 HH11 ARG A 60 2.799 -0.627 -2.230 1.00 0.00 H ATOM 924 HH22 ARG A 60 -0.642 0.225 -2.096 1.00 0.00 H ATOM 925 HH21 ARG A 60 -1.004 -0.939 -0.769 1.00 0.00 H ATOM 926 H ARG A 60 5.058 -0.931 2.506 1.00 0.00 H ATOM 927 N ARG A 61 7.306 -3.344 2.143 1.00 18.11 N ATOM 928 CA ARG A 61 8.558 -4.082 2.026 1.00 18.17 C ATOM 929 C ARG A 61 9.666 -3.087 1.750 1.00 18.92 C ATOM 930 O ARG A 61 9.396 -1.945 1.377 1.00 17.21 O ATOM 931 CB ARG A 61 8.479 -5.067 0.850 1.00 17.72 C ATOM 932 CG ARG A 61 8.125 -4.391 -0.476 1.00 17.23 C ATOM 933 CD ARG A 61 8.153 -5.396 -1.660 1.00 19.45 C ATOM 934 NE ARG A 61 7.080 -6.401 -1.651 1.00 19.59 N ATOM 935 CZ ARG A 61 5.798 -6.166 -1.973 1.00 20.78 C ATOM 936 NH1 ARG A 61 5.416 -4.954 -2.338 1.00 19.69 N ATOM 937 NH2 ARG A 61 4.889 -7.145 -1.918 1.00 19.89 N ATOM 938 HA ARG A 61 8.747 -4.635 2.946 1.00 0.00 H ATOM 939 HB2 ARG A 61 9.446 -5.558 0.742 1.00 0.00 H ATOM 940 HB3 ARG A 61 7.717 -5.814 1.073 1.00 0.00 H ATOM 941 HG2 ARG A 61 7.125 -3.964 -0.399 1.00 0.00 H ATOM 942 HG3 ARG A 61 8.845 -3.596 -0.670 1.00 0.00 H ATOM 943 HD2 ARG A 61 9.108 -5.921 -1.635 1.00 0.00 H ATOM 944 HD3 ARG A 61 8.076 -4.828 -2.587 1.00 0.00 H ATOM 945 HE ARG A 61 7.334 -7.370 -1.373 1.00 0.00 H ATOM 946 HH12 ARG A 61 4.422 -4.775 -2.587 1.00 0.00 H ATOM 947 HH11 ARG A 61 6.109 -4.180 -2.376 1.00 0.00 H ATOM 948 HH22 ARG A 61 3.899 -6.950 -2.170 1.00 0.00 H ATOM 949 HH21 ARG A 61 5.172 -8.101 -1.623 1.00 0.00 H ATOM 950 H ARG A 61 7.272 -2.351 1.837 1.00 0.00 H ATOM 951 N TYR A 62 10.908 -3.537 1.917 1.00 18.60 N ATOM 952 CA TYR A 62 12.052 -2.674 1.700 1.00 18.59 C ATOM 953 C TYR A 62 13.278 -3.503 1.359 1.00 18.57 C ATOM 954 O TYR A 62 13.371 -4.648 1.748 1.00 18.73 O ATOM 955 CB TYR A 62 12.288 -1.822 2.953 1.00 20.52 C ATOM 956 CG TYR A 62 12.326 -2.605 4.261 1.00 22.59 C ATOM 957 CD1 TYR A 62 13.532 -2.825 4.929 1.00 22.42 C ATOM 958 CD2 TYR A 62 11.156 -3.105 4.836 1.00 21.79 C ATOM 959 CE1 TYR A 62 13.569 -3.517 6.143 1.00 23.97 C ATOM 960 CE2 TYR A 62 11.184 -3.802 6.035 1.00 22.05 C ATOM 961 CZ TYR A 62 12.392 -4.004 6.687 1.00 23.46 C ATOM 962 OH TYR A 62 12.429 -4.691 7.876 1.00 24.66 O ATOM 963 HA TYR A 62 11.857 -2.010 0.858 1.00 0.00 H ATOM 964 HB3 TYR A 62 11.485 -1.088 3.020 1.00 0.00 H ATOM 965 HB2 TYR A 62 13.242 -1.307 2.838 1.00 0.00 H ATOM 966 HD2 TYR A 62 10.202 -2.945 4.333 1.00 0.00 H ATOM 967 HE2 TYR A 62 10.260 -4.190 6.464 1.00 0.00 H ATOM 968 HE1 TYR A 62 14.517 -3.672 6.658 1.00 0.00 H ATOM 969 HD1 TYR A 62 14.460 -2.451 4.497 1.00 0.00 H ATOM 970 HH TYR A 62 13.364 -4.741 8.198 1.00 0.00 H ATOM 971 H TYR A 62 11.060 -4.524 2.208 1.00 0.00 H ATOM 972 N GLY A 63 14.202 -2.926 0.602 1.00 18.82 N ATOM 973 CA GLY A 63 15.408 -3.639 0.222 1.00 18.58 C ATOM 974 C GLY A 63 16.569 -2.684 0.042 1.00 19.22 C ATOM 975 O GLY A 63 16.385 -1.472 0.196 1.00 20.18 O ATOM 976 HA3 GLY A 63 15.231 -4.166 -0.716 1.00 0.00 H ATOM 977 HA2 GLY A 63 15.657 -4.360 1.001 1.00 0.00 H ATOM 978 H GLY A 63 14.060 -1.949 0.276 1.00 0.00 H ATOM 979 N ARG A 64 17.760 -3.206 -0.260 1.00 18.87 N ATOM 980 CA ARG A 64 18.942 -2.354 -0.471 1.00 18.86 C ATOM 981 C ARG A 64 20.093 -3.067 -1.166 1.00 18.93 C ATOM 982 O ARG A 64 20.058 -4.273 -1.375 1.00 18.98 O ATOM 983 CB ARG A 64 19.472 -1.808 0.853 1.00 20.57 C ATOM 984 CG ARG A 64 20.281 -2.827 1.710 1.00 23.18 C ATOM 985 CD ARG A 64 19.628 -4.179 1.749 1.00 24.46 C ATOM 986 NE ARG A 64 20.315 -5.095 2.648 1.00 27.53 N ATOM 987 CZ ARG A 64 19.936 -6.354 2.858 1.00 28.35 C ATOM 988 NH1 ARG A 64 18.878 -6.847 2.227 1.00 28.50 N ATOM 989 NH2 ARG A 64 20.608 -7.124 3.703 1.00 29.04 N ATOM 990 HA ARG A 64 18.591 -1.549 -1.117 1.00 0.00 H ATOM 991 HB2 ARG A 64 20.121 -0.960 0.634 1.00 0.00 H ATOM 992 HB3 ARG A 64 18.621 -1.469 1.444 1.00 0.00 H ATOM 993 HG2 ARG A 64 21.279 -2.931 1.284 1.00 0.00 H ATOM 994 HG3 ARG A 64 20.360 -2.445 2.728 1.00 0.00 H ATOM 995 HD2 ARG A 64 19.635 -4.602 0.744 1.00 0.00 H ATOM 996 HD3 ARG A 64 18.598 -4.062 2.086 1.00 0.00 H ATOM 997 HE ARG A 64 21.152 -4.745 3.157 1.00 0.00 H ATOM 998 HH12 ARG A 64 18.585 -7.831 2.394 1.00 0.00 H ATOM 999 HH11 ARG A 64 18.342 -6.250 1.566 1.00 0.00 H ATOM 1000 HH22 ARG A 64 20.307 -8.107 3.863 1.00 0.00 H ATOM 1001 HH21 ARG A 64 21.436 -6.745 4.206 1.00 0.00 H ATOM 1002 H ARG A 64 17.855 -4.238 -0.348 1.00 0.00 H ATOM 1003 N ASP A 65 21.102 -2.287 -1.532 1.00 18.44 N ATOM 1004 CA ASP A 65 22.299 -2.790 -2.142 1.00 18.23 C ATOM 1005 C ASP A 65 23.331 -1.707 -1.955 1.00 18.94 C ATOM 1006 O ASP A 65 23.063 -0.717 -1.269 1.00 19.95 O ATOM 1007 CB ASP A 65 22.090 -3.149 -3.620 1.00 20.80 C ATOM 1008 CG ASP A 65 21.643 -1.976 -4.467 1.00 23.13 C ATOM 1009 OD1 ASP A 65 22.160 -0.859 -4.274 1.00 24.51 O ATOM 1010 OD2 ASP A 65 20.789 -2.182 -5.353 1.00 25.23 O ATOM 1011 HA ASP A 65 22.619 -3.724 -1.680 1.00 0.00 H ATOM 1012 HB2 ASP A 65 23.031 -3.526 -4.021 1.00 0.00 H ATOM 1013 HB3 ASP A 65 21.332 -3.929 -3.682 1.00 0.00 H ATOM 1014 H ASP A 65 21.021 -1.263 -1.369 1.00 0.00 H ATOM 1015 N LYS A 66 24.507 -1.880 -2.554 1.00 19.68 N ATOM 1016 CA LYS A 66 25.585 -0.915 -2.407 1.00 20.92 C ATOM 1017 C LYS A 66 25.321 0.386 -3.097 1.00 20.99 C ATOM 1018 O LYS A 66 26.090 1.329 -2.970 1.00 22.83 O ATOM 1019 CB LYS A 66 26.893 -1.511 -2.908 1.00 24.87 C ATOM 1020 CG LYS A 66 27.299 -2.785 -2.127 1.00 31.04 C ATOM 1021 CD LYS A 66 28.812 -2.918 -1.884 1.00 35.07 C ATOM 1022 CE LYS A 66 29.176 -4.247 -1.196 1.00 36.33 C ATOM 1023 NZ LYS A 66 30.665 -4.349 -0.935 1.00 37.81 N ATOM 1024 HA LYS A 66 25.655 -0.693 -1.342 1.00 0.00 H ATOM 1025 HB2 LYS A 66 26.780 -1.767 -3.962 1.00 0.00 H ATOM 1026 HB3 LYS A 66 27.682 -0.767 -2.798 1.00 0.00 H ATOM 1027 HG2 LYS A 66 26.797 -2.768 -1.160 1.00 0.00 H ATOM 1028 HG3 LYS A 66 26.965 -3.655 -2.693 1.00 0.00 H ATOM 1029 HD2 LYS A 66 29.328 -2.866 -2.843 1.00 0.00 H ATOM 1030 HD3 LYS A 66 29.140 -2.093 -1.251 1.00 0.00 H ATOM 1031 HE2 LYS A 66 28.871 -5.073 -1.838 1.00 0.00 H ATOM 1032 HE3 LYS A 66 28.645 -4.312 -0.246 1.00 0.00 H ATOM 1033 HZ1 LYS A 66 31.179 -4.294 -1.838 1.00 0.00 H ATOM 1034 HZ2 LYS A 66 30.962 -3.566 -0.318 1.00 0.00 H ATOM 1035 HZ3 LYS A 66 30.873 -5.256 -0.471 1.00 0.00 H ATOM 1036 H LYS A 66 24.658 -2.725 -3.141 1.00 0.00 H ATOM 1037 N VAL A 67 24.206 0.465 -3.801 1.00 19.35 N ATOM 1038 CA VAL A 67 23.869 1.674 -4.529 1.00 18.05 C ATOM 1039 C VAL A 67 22.703 2.465 -3.923 1.00 16.93 C ATOM 1040 O VAL A 67 22.649 3.698 -3.986 1.00 14.27 O ATOM 1041 CB VAL A 67 23.567 1.272 -6.005 1.00 19.04 C ATOM 1042 CG1 VAL A 67 22.869 2.399 -6.772 1.00 15.93 C ATOM 1043 CG2 VAL A 67 24.863 0.877 -6.657 1.00 19.13 C ATOM 1044 HA VAL A 67 24.720 2.353 -4.470 1.00 0.00 H ATOM 1045 HB VAL A 67 22.876 0.429 -6.019 1.00 0.00 H ATOM 1046 HG11 VAL A 67 21.925 2.639 -6.283 1.00 0.00 H ATOM 1047 HG12 VAL A 67 23.509 3.281 -6.782 1.00 0.00 H ATOM 1048 HG13 VAL A 67 22.678 2.076 -7.795 1.00 0.00 H ATOM 1049 HG21 VAL A 67 25.553 1.720 -6.631 1.00 0.00 H ATOM 1050 HG22 VAL A 67 25.297 0.034 -6.119 1.00 0.00 H ATOM 1051 HG23 VAL A 67 24.675 0.591 -7.692 1.00 0.00 H ATOM 1052 H VAL A 67 23.561 -0.350 -3.834 1.00 0.00 H ATOM 1053 N MET A 68 21.771 1.744 -3.317 1.00 17.62 N ATOM 1054 CA MET A 68 20.604 2.398 -2.745 1.00 18.57 C ATOM 1055 C MET A 68 19.858 1.617 -1.658 1.00 17.22 C ATOM 1056 O MET A 68 20.225 0.497 -1.268 1.00 17.70 O ATOM 1057 CB MET A 68 19.629 2.739 -3.883 1.00 19.23 C ATOM 1058 CG MET A 68 19.346 1.557 -4.830 1.00 22.85 C ATOM 1059 SD MET A 68 18.115 0.348 -4.194 1.00 28.95 S ATOM 1060 CE MET A 68 17.757 -0.624 -5.672 1.00 25.90 C ATOM 1061 HA MET A 68 20.987 3.283 -2.236 1.00 0.00 H ATOM 1062 HB2 MET A 68 18.685 3.062 -3.443 1.00 0.00 H ATOM 1063 HB3 MET A 68 20.054 3.555 -4.468 1.00 0.00 H ATOM 1064 HG2 MET A 68 20.283 1.029 -5.005 1.00 0.00 H ATOM 1065 HG3 MET A 68 18.974 1.957 -5.773 1.00 0.00 H ATOM 1066 HE1 MET A 68 17.356 0.030 -6.447 1.00 0.00 H ATOM 1067 HE2 MET A 68 18.674 -1.092 -6.028 1.00 0.00 H ATOM 1068 HE3 MET A 68 17.025 -1.394 -5.430 1.00 0.00 H ATOM 1069 H MET A 68 21.874 0.711 -3.250 1.00 0.00 H ATOM 1070 N PHE A 69 18.806 2.264 -1.177 1.00 15.38 N ATOM 1071 CA PHE A 69 17.900 1.718 -0.207 1.00 13.18 C ATOM 1072 C PHE A 69 16.523 2.060 -0.764 1.00 12.63 C ATOM 1073 O PHE A 69 16.296 3.148 -1.259 1.00 12.59 O ATOM 1074 CB PHE A 69 18.093 2.378 1.141 1.00 13.55 C ATOM 1075 CG PHE A 69 17.109 1.912 2.160 1.00 16.33 C ATOM 1076 CD1 PHE A 69 17.254 0.653 2.763 1.00 15.51 C ATOM 1077 CD2 PHE A 69 16.013 2.716 2.504 1.00 16.41 C ATOM 1078 CE1 PHE A 69 16.328 0.202 3.707 1.00 17.39 C ATOM 1079 CE2 PHE A 69 15.078 2.286 3.438 1.00 16.79 C ATOM 1080 CZ PHE A 69 15.232 1.022 4.052 1.00 18.44 C ATOM 1081 HA PHE A 69 18.048 0.649 -0.052 1.00 0.00 H ATOM 1082 HB2 PHE A 69 19.098 2.153 1.498 1.00 0.00 H ATOM 1083 HB3 PHE A 69 17.985 3.456 1.020 1.00 0.00 H ATOM 1084 HD2 PHE A 69 15.893 3.691 2.033 1.00 0.00 H ATOM 1085 HE2 PHE A 69 14.230 2.920 3.696 1.00 0.00 H ATOM 1086 HZ PHE A 69 14.506 0.681 4.790 1.00 0.00 H ATOM 1087 HE1 PHE A 69 16.451 -0.775 4.173 1.00 0.00 H ATOM 1088 HD1 PHE A 69 18.099 0.020 2.492 1.00 0.00 H ATOM 1089 H PHE A 69 18.626 3.228 -1.524 1.00 0.00 H ATOM 1090 N SER A 70 15.587 1.142 -0.699 1.00 13.32 N ATOM 1091 CA SER A 70 14.271 1.433 -1.250 1.00 14.46 C ATOM 1092 C SER A 70 13.235 0.882 -0.354 1.00 13.85 C ATOM 1093 O SER A 70 13.534 0.074 0.501 1.00 16.72 O ATOM 1094 CB SER A 70 14.071 0.749 -2.593 1.00 14.12 C ATOM 1095 OG SER A 70 14.909 1.303 -3.551 1.00 17.81 O ATOM 1096 HA SER A 70 14.196 2.515 -1.358 1.00 0.00 H ATOM 1097 HB2 SER A 70 13.035 0.873 -2.908 1.00 0.00 H ATOM 1098 HB3 SER A 70 14.294 -0.313 -2.492 1.00 0.00 H ATOM 1099 HG SER A 70 14.706 2.267 -3.647 1.00 0.00 H ATOM 1100 H SER A 70 15.783 0.220 -0.260 1.00 0.00 H ATOM 1101 N PHE A 71 12.009 1.304 -0.585 1.00 13.06 N ATOM 1102 CA PHE A 71 10.894 0.815 0.164 1.00 13.03 C ATOM 1103 C PHE A 71 9.601 1.107 -0.581 1.00 14.48 C ATOM 1104 O PHE A 71 9.537 1.944 -1.478 1.00 14.28 O ATOM 1105 CB PHE A 71 10.909 1.394 1.584 1.00 13.28 C ATOM 1106 CG PHE A 71 10.699 2.885 1.676 1.00 14.84 C ATOM 1107 CD1 PHE A 71 9.429 3.411 1.905 1.00 14.22 C ATOM 1108 CD2 PHE A 71 11.770 3.750 1.658 1.00 15.90 C ATOM 1109 CE1 PHE A 71 9.229 4.768 2.129 1.00 14.30 C ATOM 1110 CE2 PHE A 71 11.572 5.132 1.886 1.00 18.76 C ATOM 1111 CZ PHE A 71 10.288 5.631 2.123 1.00 15.09 C ATOM 1112 HA PHE A 71 10.966 -0.268 0.268 1.00 0.00 H ATOM 1113 HB2 PHE A 71 10.118 0.907 2.155 1.00 0.00 H ATOM 1114 HB3 PHE A 71 11.875 1.162 2.032 1.00 0.00 H ATOM 1115 HD2 PHE A 71 12.773 3.369 1.468 1.00 0.00 H ATOM 1116 HE2 PHE A 71 12.425 5.811 1.877 1.00 0.00 H ATOM 1117 HZ PHE A 71 10.134 6.695 2.301 1.00 0.00 H ATOM 1118 HE1 PHE A 71 8.223 5.145 2.310 1.00 0.00 H ATOM 1119 HD1 PHE A 71 8.570 2.740 1.909 1.00 0.00 H ATOM 1120 H PHE A 71 11.848 2.011 -1.331 1.00 0.00 H ATOM 1121 N GLU A 72 8.567 0.356 -0.250 1.00 16.55 N ATOM 1122 CA GLU A 72 7.278 0.531 -0.896 1.00 16.18 C ATOM 1123 C GLU A 72 6.304 0.890 0.216 1.00 14.90 C ATOM 1124 O GLU A 72 6.126 0.133 1.155 1.00 14.80 O ATOM 1125 CB GLU A 72 6.852 -0.770 -1.603 1.00 13.86 C ATOM 1126 CG GLU A 72 5.652 -0.615 -2.503 1.00 15.52 C ATOM 1127 CD GLU A 72 5.161 -1.946 -3.082 1.00 17.81 C ATOM 1128 OE1 GLU A 72 5.990 -2.862 -3.241 1.00 17.05 O ATOM 1129 OE2 GLU A 72 3.953 -2.070 -3.397 1.00 18.57 O ATOM 1130 HA GLU A 72 7.309 1.308 -1.660 1.00 0.00 H ATOM 1131 HB2 GLU A 72 7.689 -1.123 -2.205 1.00 0.00 H ATOM 1132 HB3 GLU A 72 6.616 -1.513 -0.841 1.00 0.00 H ATOM 1133 HG2 GLU A 72 4.842 -0.166 -1.928 1.00 0.00 H ATOM 1134 HG3 GLU A 72 5.919 0.045 -3.328 1.00 0.00 H ATOM 1135 H GLU A 72 8.677 -0.372 0.484 1.00 0.00 H ATOM 1136 N ALA A 73 5.723 2.069 0.106 1.00 14.66 N ATOM 1137 CA ALA A 73 4.757 2.565 1.067 1.00 14.78 C ATOM 1138 C ALA A 73 3.371 1.983 0.779 1.00 15.67 C ATOM 1139 O ALA A 73 3.001 1.700 -0.394 1.00 15.38 O ATOM 1140 CB ALA A 73 4.709 4.102 1.004 1.00 12.88 C ATOM 1141 HA ALA A 73 5.060 2.255 2.067 1.00 0.00 H ATOM 1142 HB1 ALA A 73 5.694 4.505 1.239 1.00 0.00 H ATOM 1143 HB2 ALA A 73 4.417 4.414 0.001 1.00 0.00 H ATOM 1144 HB3 ALA A 73 3.982 4.471 1.727 1.00 0.00 H ATOM 1145 H ALA A 73 5.969 2.670 -0.706 1.00 0.00 H ATOM 1146 N GLY A 74 2.618 1.798 1.857 1.00 14.74 N ATOM 1147 CA GLY A 74 1.269 1.305 1.739 1.00 17.34 C ATOM 1148 C GLY A 74 0.430 2.510 1.362 1.00 20.74 C ATOM 1149 O GLY A 74 0.923 3.646 1.385 1.00 20.71 O ATOM 1150 HA3 GLY A 74 0.931 0.887 2.687 1.00 0.00 H ATOM 1151 HA2 GLY A 74 1.209 0.541 0.964 1.00 0.00 H ATOM 1152 H GLY A 74 3.006 2.011 2.798 1.00 0.00 H ATOM 1153 N ARG A 75 -0.838 2.293 1.040 1.00 23.84 N ATOM 1154 CA ARG A 75 -1.653 3.408 0.614 1.00 28.94 C ATOM 1155 C ARG A 75 -2.184 4.322 1.718 1.00 30.62 C ATOM 1156 O ARG A 75 -2.780 5.366 1.428 1.00 31.81 O ATOM 1157 CB ARG A 75 -2.788 2.904 -0.281 1.00 30.04 C ATOM 1158 CG ARG A 75 -3.989 2.418 0.450 1.00 31.07 C ATOM 1159 CD ARG A 75 -4.766 1.424 -0.406 1.00 29.63 C ATOM 1160 NE ARG A 75 -4.541 0.087 0.110 1.00 29.41 N ATOM 1161 CZ ARG A 75 -5.342 -0.932 -0.113 1.00 29.76 C ATOM 1162 NH1 ARG A 75 -6.430 -0.756 -0.860 1.00 30.22 N ATOM 1163 NH2 ARG A 75 -5.060 -2.111 0.420 1.00 27.83 N ATOM 1164 HA ARG A 75 -0.976 4.056 0.057 1.00 0.00 H ATOM 1165 HB2 ARG A 75 -3.095 3.722 -0.933 1.00 0.00 H ATOM 1166 HB3 ARG A 75 -2.404 2.083 -0.887 1.00 0.00 H ATOM 1167 HG2 ARG A 75 -3.675 1.930 1.373 1.00 0.00 H ATOM 1168 HG3 ARG A 75 -4.631 3.265 0.689 1.00 0.00 H ATOM 1169 HD2 ARG A 75 -4.421 1.481 -1.439 1.00 0.00 H ATOM 1170 HD3 ARG A 75 -5.830 1.658 -0.366 1.00 0.00 H ATOM 1171 HE ARG A 75 -3.694 -0.076 0.692 1.00 0.00 H ATOM 1172 HH12 ARG A 75 -7.070 -1.555 -1.043 1.00 0.00 H ATOM 1173 HH11 ARG A 75 -6.640 0.180 -1.261 1.00 0.00 H ATOM 1174 HH22 ARG A 75 -5.688 -2.922 0.249 1.00 0.00 H ATOM 1175 HH21 ARG A 75 -4.211 -2.225 1.009 1.00 0.00 H ATOM 1176 H ARG A 75 -1.240 1.335 1.093 1.00 0.00 H ATOM 1177 N ARG A 76 -1.926 3.963 2.971 1.00 31.24 N ATOM 1178 CA ARG A 76 -2.370 4.781 4.100 1.00 31.78 C ATOM 1179 C ARG A 76 -1.304 5.854 4.454 1.00 30.27 C ATOM 1180 O ARG A 76 -1.510 6.720 5.296 1.00 30.50 O ATOM 1181 CB ARG A 76 -2.644 3.876 5.308 1.00 34.64 C ATOM 1182 CG ARG A 76 -3.677 4.409 6.266 1.00 38.88 C ATOM 1183 CD ARG A 76 -3.668 3.611 7.588 1.00 43.91 C ATOM 1184 NE ARG A 76 -4.598 4.163 8.576 1.00 46.90 N ATOM 1185 CZ ARG A 76 -4.600 5.429 8.998 1.00 49.10 C ATOM 1186 NH1 ARG A 76 -3.715 6.319 8.534 1.00 50.91 N ATOM 1187 NH2 ARG A 76 -5.507 5.813 9.881 1.00 50.68 N ATOM 1188 HA ARG A 76 -3.288 5.300 3.824 1.00 0.00 H ATOM 1189 HB2 ARG A 76 -2.988 2.910 4.939 1.00 0.00 H ATOM 1190 HB3 ARG A 76 -1.710 3.743 5.853 1.00 0.00 H ATOM 1191 HG2 ARG A 76 -3.460 5.456 6.479 1.00 0.00 H ATOM 1192 HG3 ARG A 76 -4.663 4.330 5.808 1.00 0.00 H ATOM 1193 HD2 ARG A 76 -2.661 3.632 8.004 1.00 0.00 H ATOM 1194 HD3 ARG A 76 -3.951 2.580 7.377 1.00 0.00 H ATOM 1195 HE ARG A 76 -5.310 3.520 8.979 1.00 0.00 H ATOM 1196 HH12 ARG A 76 -3.736 7.300 8.877 1.00 0.00 H ATOM 1197 HH11 ARG A 76 -3.007 6.029 7.830 1.00 0.00 H ATOM 1198 HH22 ARG A 76 -5.520 6.797 10.219 1.00 0.00 H ATOM 1199 HH21 ARG A 76 -6.207 5.131 10.238 1.00 0.00 H ATOM 1200 H ARG A 76 -1.399 3.085 3.153 1.00 0.00 H ATOM 1201 N CYS A 77 -0.164 5.789 3.799 1.00 27.99 N ATOM 1202 CA CYS A 77 0.894 6.740 4.039 1.00 26.01 C ATOM 1203 C CYS A 77 0.570 8.124 3.496 1.00 24.77 C ATOM 1204 O CYS A 77 -0.156 8.268 2.504 1.00 25.65 O ATOM 1205 CB CYS A 77 2.179 6.231 3.378 1.00 25.43 C ATOM 1206 SG CYS A 77 2.926 4.871 4.230 1.00 26.39 S ATOM 1207 HA CYS A 77 1.016 6.833 5.118 1.00 0.00 H ATOM 1208 HB2 CYS A 77 2.896 7.051 3.342 1.00 0.00 H ATOM 1209 HB3 CYS A 77 1.942 5.913 2.363 1.00 0.00 H ATOM 1210 HG CYS A 77 4.071 4.485 3.563 1.00 0.00 H ATOM 1211 H CYS A 77 -0.023 5.037 3.094 1.00 0.00 H ATOM 1212 N PRO A 78 1.104 9.173 4.144 1.00 23.45 N ATOM 1213 CA PRO A 78 0.871 10.550 3.693 1.00 20.99 C ATOM 1214 C PRO A 78 1.443 10.683 2.278 1.00 20.12 C ATOM 1215 O PRO A 78 0.991 11.496 1.460 1.00 18.74 O ATOM 1216 CB PRO A 78 1.673 11.373 4.692 1.00 21.02 C ATOM 1217 CG PRO A 78 1.548 10.581 5.948 1.00 22.01 C ATOM 1218 CD PRO A 78 1.765 9.162 5.466 1.00 23.53 C ATOM 1219 HA PRO A 78 -0.174 10.857 3.654 1.00 0.00 H ATOM 1220 HD3 PRO A 78 2.827 8.934 5.375 1.00 0.00 H ATOM 1221 HD2 PRO A 78 1.296 8.441 6.136 1.00 0.00 H ATOM 1222 HG3 PRO A 78 0.559 10.699 6.392 1.00 0.00 H ATOM 1223 HG2 PRO A 78 2.308 10.871 6.674 1.00 0.00 H ATOM 1224 HB2 PRO A 78 2.715 11.459 4.384 1.00 0.00 H ATOM 1225 HB3 PRO A 78 1.248 12.369 4.812 1.00 0.00 H ATOM 1226 N SER A 79 2.465 9.867 2.014 1.00 18.72 N ATOM 1227 CA SER A 79 3.168 9.849 0.728 1.00 15.32 C ATOM 1228 C SER A 79 2.303 9.269 -0.359 1.00 13.44 C ATOM 1229 O SER A 79 2.400 9.666 -1.509 1.00 13.61 O ATOM 1230 CB SER A 79 4.440 9.003 0.814 1.00 13.51 C ATOM 1231 OG SER A 79 4.108 7.616 0.832 1.00 11.71 O ATOM 1232 HA SER A 79 3.417 10.884 0.492 1.00 0.00 H ATOM 1233 HB2 SER A 79 4.980 9.256 1.726 1.00 0.00 H ATOM 1234 HB3 SER A 79 5.071 9.212 -0.050 1.00 0.00 H ATOM 1235 HG SER A 79 3.619 7.384 0.003 1.00 0.00 H ATOM 1236 H SER A 79 2.778 9.211 2.758 1.00 0.00 H ATOM 1237 N GLY A 80 1.417 8.368 0.022 1.00 11.65 N ATOM 1238 CA GLY A 80 0.617 7.692 -0.968 1.00 11.31 C ATOM 1239 C GLY A 80 1.426 6.424 -1.206 1.00 11.70 C ATOM 1240 O GLY A 80 2.618 6.388 -0.867 1.00 8.62 O ATOM 1241 HA3 GLY A 80 0.528 8.284 -1.879 1.00 0.00 H ATOM 1242 HA2 GLY A 80 -0.378 7.463 -0.586 1.00 0.00 H ATOM 1243 H GLY A 80 1.297 8.147 1.031 1.00 0.00 H ATOM 1244 N PRO A 81 0.815 5.375 -1.794 1.00 13.90 N ATOM 1245 CA PRO A 81 1.467 4.098 -2.068 1.00 12.41 C ATOM 1246 C PRO A 81 2.510 4.143 -3.185 1.00 12.82 C ATOM 1247 O PRO A 81 2.455 4.980 -4.084 1.00 11.26 O ATOM 1248 CB PRO A 81 0.291 3.201 -2.401 1.00 12.51 C ATOM 1249 CG PRO A 81 -0.564 4.095 -3.186 1.00 12.85 C ATOM 1250 CD PRO A 81 -0.535 5.390 -2.393 1.00 12.93 C ATOM 1251 HA PRO A 81 2.065 3.752 -1.224 1.00 0.00 H ATOM 1252 HD3 PRO A 81 -0.666 6.253 -3.045 1.00 0.00 H ATOM 1253 HD2 PRO A 81 -1.307 5.397 -1.623 1.00 0.00 H ATOM 1254 HG3 PRO A 81 -1.579 3.703 -3.257 1.00 0.00 H ATOM 1255 HG2 PRO A 81 -0.161 4.241 -4.188 1.00 0.00 H ATOM 1256 HB2 PRO A 81 0.605 2.338 -2.987 1.00 0.00 H ATOM 1257 HB3 PRO A 81 -0.216 2.861 -1.498 1.00 0.00 H ATOM 1258 N GLY A 82 3.481 3.244 -3.125 1.00 12.66 N ATOM 1259 CA GLY A 82 4.456 3.255 -4.180 1.00 15.20 C ATOM 1260 C GLY A 82 5.862 3.095 -3.666 1.00 18.05 C ATOM 1261 O GLY A 82 6.079 2.924 -2.460 1.00 19.87 O ATOM 1262 HA3 GLY A 82 4.384 4.203 -4.713 1.00 0.00 H ATOM 1263 HA2 GLY A 82 4.239 2.436 -4.866 1.00 0.00 H ATOM 1264 H GLY A 82 3.535 2.558 -2.345 1.00 0.00 H ATOM 1265 N THR A 83 6.822 3.137 -4.588 1.00 17.67 N ATOM 1266 CA THR A 83 8.207 2.975 -4.225 1.00 17.97 C ATOM 1267 C THR A 83 9.012 4.283 -4.131 1.00 18.12 C ATOM 1268 O THR A 83 8.792 5.218 -4.882 1.00 19.21 O ATOM 1269 CB THR A 83 8.868 2.011 -5.195 1.00 17.07 C ATOM 1270 OG1 THR A 83 8.278 0.726 -5.015 1.00 17.43 O ATOM 1271 CG2 THR A 83 10.367 1.934 -4.968 1.00 18.39 C ATOM 1272 HA THR A 83 8.210 2.574 -3.211 1.00 0.00 H ATOM 1273 HB THR A 83 8.714 2.365 -6.214 1.00 0.00 H ATOM 1274 HG1 THR A 83 8.696 0.082 -5.640 1.00 0.00 H ATOM 1275 HG23 THR A 83 10.806 2.922 -5.108 1.00 0.00 H ATOM 1276 HG21 THR A 83 10.562 1.589 -3.952 1.00 0.00 H ATOM 1277 HG22 THR A 83 10.806 1.236 -5.681 1.00 0.00 H ATOM 1278 H THR A 83 6.568 3.289 -5.585 1.00 0.00 H ATOM 1279 N PHE A 84 9.904 4.328 -3.150 1.00 17.04 N ATOM 1280 CA PHE A 84 10.802 5.439 -2.924 1.00 17.45 C ATOM 1281 C PHE A 84 12.186 4.794 -2.926 1.00 18.28 C ATOM 1282 O PHE A 84 12.455 3.825 -2.198 1.00 20.47 O ATOM 1283 CB PHE A 84 10.535 6.134 -1.576 1.00 15.13 C ATOM 1284 CG PHE A 84 9.181 6.808 -1.491 1.00 14.52 C ATOM 1285 CD1 PHE A 84 8.030 6.081 -1.144 1.00 14.81 C ATOM 1286 CD2 PHE A 84 9.037 8.142 -1.831 1.00 11.02 C ATOM 1287 CE1 PHE A 84 6.764 6.702 -1.157 1.00 13.58 C ATOM 1288 CE2 PHE A 84 7.783 8.755 -1.844 1.00 9.63 C ATOM 1289 CZ PHE A 84 6.658 8.042 -1.514 1.00 8.99 C ATOM 1290 HA PHE A 84 10.684 6.216 -3.679 1.00 0.00 H ATOM 1291 HB2 PHE A 84 10.597 5.386 -0.786 1.00 0.00 H ATOM 1292 HB3 PHE A 84 11.305 6.889 -1.420 1.00 0.00 H ATOM 1293 HD2 PHE A 84 9.920 8.725 -2.094 1.00 0.00 H ATOM 1294 HE2 PHE A 84 7.697 9.806 -2.118 1.00 0.00 H ATOM 1295 HZ PHE A 84 5.681 8.526 -1.532 1.00 0.00 H ATOM 1296 HE1 PHE A 84 5.873 6.135 -0.889 1.00 0.00 H ATOM 1297 HD1 PHE A 84 8.116 5.031 -0.863 1.00 0.00 H ATOM 1298 H PHE A 84 9.961 3.515 -2.504 1.00 0.00 H ATOM 1299 N THR A 85 13.042 5.311 -3.791 1.00 17.21 N ATOM 1300 CA THR A 85 14.400 4.840 -3.935 1.00 15.73 C ATOM 1301 C THR A 85 15.322 6.003 -3.615 1.00 15.66 C ATOM 1302 O THR A 85 15.093 7.121 -4.064 1.00 15.63 O ATOM 1303 CB THR A 85 14.645 4.393 -5.378 1.00 14.83 C ATOM 1304 OG1 THR A 85 13.822 3.257 -5.648 1.00 18.01 O ATOM 1305 CG2 THR A 85 16.101 4.019 -5.610 1.00 13.02 C ATOM 1306 HA THR A 85 14.582 3.997 -3.269 1.00 0.00 H ATOM 1307 HB THR A 85 14.401 5.221 -6.043 1.00 0.00 H ATOM 1308 HG1 THR A 85 14.056 2.526 -5.023 1.00 0.00 H ATOM 1309 HG23 THR A 85 16.734 4.883 -5.405 1.00 0.00 H ATOM 1310 HG21 THR A 85 16.375 3.200 -4.945 1.00 0.00 H ATOM 1311 HG22 THR A 85 16.234 3.707 -6.646 1.00 0.00 H ATOM 1312 H THR A 85 12.722 6.094 -4.396 1.00 0.00 H ATOM 1313 N PHE A 86 16.364 5.752 -2.835 1.00 15.34 N ATOM 1314 CA PHE A 86 17.315 6.807 -2.491 1.00 13.54 C ATOM 1315 C PHE A 86 18.712 6.303 -2.751 1.00 14.39 C ATOM 1316 O PHE A 86 19.117 5.315 -2.160 1.00 14.05 O ATOM 1317 CB PHE A 86 17.182 7.191 -1.023 1.00 10.78 C ATOM 1318 CG PHE A 86 15.928 7.926 -0.698 1.00 10.51 C ATOM 1319 CD1 PHE A 86 14.851 7.272 -0.110 1.00 12.86 C ATOM 1320 CD2 PHE A 86 15.803 9.264 -0.991 1.00 10.86 C ATOM 1321 CE1 PHE A 86 13.676 7.945 0.169 1.00 10.82 C ATOM 1322 CE2 PHE A 86 14.625 9.953 -0.719 1.00 9.81 C ATOM 1323 CZ PHE A 86 13.568 9.298 -0.145 1.00 11.33 C ATOM 1324 HA PHE A 86 17.109 7.687 -3.100 1.00 0.00 H ATOM 1325 HB2 PHE A 86 17.209 6.279 -0.427 1.00 0.00 H ATOM 1326 HB3 PHE A 86 18.029 7.823 -0.756 1.00 0.00 H ATOM 1327 HD2 PHE A 86 16.641 9.794 -1.444 1.00 0.00 H ATOM 1328 HE2 PHE A 86 14.544 11.012 -0.962 1.00 0.00 H ATOM 1329 HZ PHE A 86 12.643 9.835 0.066 1.00 0.00 H ATOM 1330 HE1 PHE A 86 12.840 7.421 0.631 1.00 0.00 H ATOM 1331 HD1 PHE A 86 14.934 6.213 0.135 1.00 0.00 H ATOM 1332 H PHE A 86 16.507 4.791 -2.463 1.00 0.00 H ATOM 1333 N GLN A 87 19.455 6.958 -3.642 1.00 16.84 N ATOM 1334 CA GLN A 87 20.822 6.484 -3.910 1.00 18.70 C ATOM 1335 C GLN A 87 21.634 6.737 -2.640 1.00 16.13 C ATOM 1336 O GLN A 87 21.520 7.777 -2.025 1.00 14.07 O ATOM 1337 CB GLN A 87 21.444 7.190 -5.135 1.00 21.30 C ATOM 1338 CG GLN A 87 22.023 8.576 -4.852 1.00 31.82 C ATOM 1339 CD GLN A 87 22.517 9.317 -6.114 1.00 37.12 C ATOM 1340 OE1 GLN A 87 23.081 10.437 -6.022 1.00 37.98 O ATOM 1341 NE2 GLN A 87 22.300 8.700 -7.298 1.00 37.83 N ATOM 1342 HA GLN A 87 20.816 5.422 -4.157 1.00 0.00 H ATOM 1343 HB2 GLN A 87 22.246 6.559 -5.519 1.00 0.00 H ATOM 1344 HB3 GLN A 87 20.670 7.295 -5.895 1.00 0.00 H ATOM 1345 HG2 GLN A 87 21.250 9.181 -4.379 1.00 0.00 H ATOM 1346 HG3 GLN A 87 22.864 8.464 -4.168 1.00 0.00 H ATOM 1347 HE22 GLN A 87 21.829 7.773 -7.323 1.00 0.00 H ATOM 1348 HE21 GLN A 87 22.604 9.153 -8.184 1.00 0.00 H ATOM 1349 H GLN A 87 19.076 7.789 -4.139 1.00 0.00 H ATOM 1350 N THR A 88 22.423 5.758 -2.230 1.00 15.71 N ATOM 1351 CA THR A 88 23.227 5.916 -1.024 1.00 15.11 C ATOM 1352 C THR A 88 24.230 4.774 -0.929 1.00 15.96 C ATOM 1353 O THR A 88 23.936 3.655 -1.361 1.00 16.01 O ATOM 1354 CB THR A 88 22.337 5.869 0.264 1.00 14.27 C ATOM 1355 OG1 THR A 88 23.175 6.006 1.410 1.00 14.70 O ATOM 1356 CG2 THR A 88 21.582 4.518 0.355 1.00 12.94 C ATOM 1357 HA THR A 88 23.728 6.882 -1.087 1.00 0.00 H ATOM 1358 HB THR A 88 21.610 6.680 0.221 1.00 0.00 H ATOM 1359 HG1 THR A 88 23.654 6.871 1.365 1.00 0.00 H ATOM 1360 HG23 THR A 88 20.938 4.404 -0.517 1.00 0.00 H ATOM 1361 HG21 THR A 88 22.303 3.701 0.385 1.00 0.00 H ATOM 1362 HG22 THR A 88 20.975 4.502 1.261 1.00 0.00 H ATOM 1363 H THR A 88 22.470 4.871 -2.771 1.00 0.00 H ATOM 1364 N SER A 89 25.403 5.027 -0.361 1.00 16.06 N ATOM 1365 CA SER A 89 26.351 3.915 -0.223 1.00 18.23 C ATOM 1366 C SER A 89 26.191 3.236 1.163 1.00 17.58 C ATOM 1367 O SER A 89 27.010 2.419 1.560 1.00 17.16 O ATOM 1368 CB SER A 89 27.803 4.372 -0.453 1.00 16.74 C ATOM 1369 OG SER A 89 28.160 5.396 0.460 1.00 19.01 O ATOM 1370 HA SER A 89 26.120 3.182 -0.996 1.00 0.00 H ATOM 1371 HB2 SER A 89 27.902 4.750 -1.471 1.00 0.00 H ATOM 1372 HB3 SER A 89 28.471 3.522 -0.316 1.00 0.00 H ATOM 1373 HG SER A 89 29.096 5.673 0.294 1.00 0.00 H ATOM 1374 H SER A 89 25.642 5.982 -0.025 1.00 0.00 H ATOM 1375 N GLN A 90 25.128 3.572 1.889 1.00 16.72 N ATOM 1376 CA GLN A 90 24.916 2.911 3.179 1.00 17.21 C ATOM 1377 C GLN A 90 23.572 2.222 3.210 1.00 17.02 C ATOM 1378 O GLN A 90 22.995 2.083 4.265 1.00 17.84 O ATOM 1379 CB GLN A 90 24.975 3.893 4.349 1.00 15.41 C ATOM 1380 CG GLN A 90 26.218 4.707 4.389 1.00 15.98 C ATOM 1381 CD GLN A 90 26.054 5.960 5.184 1.00 17.42 C ATOM 1382 OE1 GLN A 90 26.402 6.004 6.362 1.00 20.28 O ATOM 1383 NE2 GLN A 90 25.501 6.998 4.558 1.00 18.72 N ATOM 1384 HA GLN A 90 25.721 2.184 3.287 1.00 0.00 H ATOM 1385 HB2 GLN A 90 24.124 4.569 4.273 1.00 0.00 H ATOM 1386 HB3 GLN A 90 24.905 3.326 5.277 1.00 0.00 H ATOM 1387 HG2 GLN A 90 27.013 4.110 4.836 1.00 0.00 H ATOM 1388 HG3 GLN A 90 26.495 4.973 3.369 1.00 0.00 H ATOM 1389 HE22 GLN A 90 25.222 6.915 3.560 1.00 0.00 H ATOM 1390 HE21 GLN A 90 25.348 7.892 5.068 1.00 0.00 H ATOM 1391 H GLN A 90 24.459 4.291 1.547 1.00 0.00 H ATOM 1392 N GLY A 91 23.078 1.806 2.054 1.00 17.60 N ATOM 1393 CA GLY A 91 21.799 1.126 1.999 1.00 19.06 C ATOM 1394 C GLY A 91 21.680 0.025 3.042 1.00 19.62 C ATOM 1395 O GLY A 91 20.659 -0.084 3.715 1.00 19.38 O ATOM 1396 HA3 GLY A 91 21.679 0.685 1.009 1.00 0.00 H ATOM 1397 HA2 GLY A 91 21.007 1.856 2.168 1.00 0.00 H ATOM 1398 H GLY A 91 23.613 1.969 1.177 1.00 0.00 H ATOM 1399 N ASN A 92 22.721 -0.780 3.187 1.00 20.79 N ATOM 1400 CA ASN A 92 22.725 -1.868 4.160 1.00 24.22 C ATOM 1401 C ASN A 92 22.567 -1.436 5.609 1.00 25.25 C ATOM 1402 O ASN A 92 21.823 -2.078 6.360 1.00 25.15 O ATOM 1403 CB ASN A 92 24.005 -2.664 4.024 1.00 26.18 C ATOM 1404 CG ASN A 92 24.303 -2.966 2.602 1.00 30.47 C ATOM 1405 OD1 ASN A 92 24.634 -2.053 1.797 1.00 34.54 O ATOM 1406 ND2 ASN A 92 24.160 -4.226 2.246 1.00 30.13 N ATOM 1407 HA ASN A 92 21.845 -2.467 3.926 1.00 0.00 H ATOM 1408 HB2 ASN A 92 24.829 -2.087 4.445 1.00 0.00 H ATOM 1409 HB3 ASN A 92 23.901 -3.600 4.572 1.00 0.00 H ATOM 1410 HD22 ASN A 92 23.885 -4.938 2.952 1.00 0.00 H ATOM 1411 HD21 ASN A 92 24.322 -4.509 1.258 1.00 0.00 H ATOM 1412 H ASN A 92 23.560 -0.633 2.590 1.00 0.00 H ATOM 1413 N ASP A 93 23.266 -0.364 6.002 1.00 25.14 N ATOM 1414 CA ASP A 93 23.178 0.128 7.368 1.00 25.22 C ATOM 1415 C ASP A 93 21.749 0.579 7.608 1.00 24.22 C ATOM 1416 O ASP A 93 21.172 0.303 8.670 1.00 24.06 O ATOM 1417 CB ASP A 93 24.169 1.276 7.601 1.00 27.41 C ATOM 1418 CG ASP A 93 25.640 0.825 7.505 1.00 32.24 C ATOM 1419 OD1 ASP A 93 26.544 1.679 7.630 1.00 33.95 O ATOM 1420 OD2 ASP A 93 25.914 -0.385 7.298 1.00 35.54 O ATOM 1421 HA ASP A 93 23.441 -0.662 8.071 1.00 0.00 H ATOM 1422 HB2 ASP A 93 23.991 2.047 6.851 1.00 0.00 H ATOM 1423 HB3 ASP A 93 23.996 1.690 8.594 1.00 0.00 H ATOM 1424 H ASP A 93 23.881 0.124 5.320 1.00 0.00 H ATOM 1425 N ILE A 94 21.174 1.244 6.604 1.00 22.62 N ATOM 1426 CA ILE A 94 19.798 1.730 6.665 1.00 20.83 C ATOM 1427 C ILE A 94 18.860 0.539 6.841 1.00 21.31 C ATOM 1428 O ILE A 94 17.920 0.591 7.628 1.00 20.60 O ATOM 1429 CB ILE A 94 19.434 2.512 5.370 1.00 19.58 C ATOM 1430 CG1 ILE A 94 20.314 3.769 5.272 1.00 19.23 C ATOM 1431 CG2 ILE A 94 17.949 2.901 5.356 1.00 16.17 C ATOM 1432 CD1 ILE A 94 20.118 4.584 3.983 1.00 18.80 C ATOM 1433 HA ILE A 94 19.694 2.410 7.510 1.00 0.00 H ATOM 1434 HB ILE A 94 19.616 1.868 4.510 1.00 0.00 H ATOM 1435 HG12 ILE A 94 20.084 4.413 6.121 1.00 0.00 H ATOM 1436 HG13 ILE A 94 21.358 3.459 5.324 1.00 0.00 H ATOM 1437 HD11 ILE A 94 20.356 3.961 3.121 1.00 0.00 H ATOM 1438 HD12 ILE A 94 19.082 4.915 3.918 1.00 0.00 H ATOM 1439 HD13 ILE A 94 20.778 5.451 3.999 1.00 0.00 H ATOM 1440 HG21 ILE A 94 17.338 1.999 5.402 1.00 0.00 H ATOM 1441 HG22 ILE A 94 17.732 3.533 6.217 1.00 0.00 H ATOM 1442 HG23 ILE A 94 17.726 3.446 4.439 1.00 0.00 H ATOM 1443 H ILE A 94 21.728 1.424 5.743 1.00 0.00 H ATOM 1444 N PHE A 95 19.153 -0.539 6.118 1.00 21.55 N ATOM 1445 CA PHE A 95 18.364 -1.773 6.162 1.00 22.21 C ATOM 1446 C PHE A 95 18.473 -2.480 7.519 1.00 22.43 C ATOM 1447 O PHE A 95 17.492 -3.030 7.997 1.00 24.03 O ATOM 1448 CB PHE A 95 18.801 -2.753 5.040 1.00 20.52 C ATOM 1449 CG PHE A 95 17.923 -3.968 4.922 1.00 20.40 C ATOM 1450 CD1 PHE A 95 16.891 -4.007 3.989 1.00 20.17 C ATOM 1451 CD2 PHE A 95 18.106 -5.054 5.769 1.00 21.22 C ATOM 1452 CE1 PHE A 95 16.043 -5.109 3.896 1.00 20.29 C ATOM 1453 CE2 PHE A 95 17.279 -6.153 5.697 1.00 21.24 C ATOM 1454 CZ PHE A 95 16.231 -6.182 4.747 1.00 22.87 C ATOM 1455 HA PHE A 95 17.325 -1.481 6.008 1.00 0.00 H ATOM 1456 HB2 PHE A 95 18.780 -2.220 4.090 1.00 0.00 H ATOM 1457 HB3 PHE A 95 19.819 -3.083 5.248 1.00 0.00 H ATOM 1458 HD2 PHE A 95 18.914 -5.036 6.500 1.00 0.00 H ATOM 1459 HE2 PHE A 95 17.431 -6.997 6.369 1.00 0.00 H ATOM 1460 HZ PHE A 95 15.573 -7.049 4.686 1.00 0.00 H ATOM 1461 HE1 PHE A 95 15.240 -5.125 3.160 1.00 0.00 H ATOM 1462 HD1 PHE A 95 16.743 -3.160 3.319 1.00 0.00 H ATOM 1463 H PHE A 95 19.982 -0.504 5.491 1.00 0.00 H ATOM 1464 N GLN A 96 19.664 -2.506 8.110 1.00 22.01 N ATOM 1465 CA GLN A 96 19.821 -3.134 9.413 1.00 22.83 C ATOM 1466 C GLN A 96 19.173 -2.259 10.474 1.00 20.85 C ATOM 1467 O GLN A 96 18.591 -2.775 11.425 1.00 19.73 O ATOM 1468 CB GLN A 96 21.288 -3.404 9.742 1.00 23.99 C ATOM 1469 CG GLN A 96 21.766 -4.685 9.085 1.00 31.50 C ATOM 1470 CD GLN A 96 23.255 -4.683 8.877 1.00 35.25 C ATOM 1471 OE1 GLN A 96 24.005 -4.275 9.777 1.00 38.24 O ATOM 1472 NE2 GLN A 96 23.704 -5.129 7.696 1.00 35.01 N ATOM 1473 HA GLN A 96 19.323 -4.104 9.392 1.00 0.00 H ATOM 1474 HB2 GLN A 96 21.893 -2.572 9.383 1.00 0.00 H ATOM 1475 HB3 GLN A 96 21.401 -3.494 10.822 1.00 0.00 H ATOM 1476 HG2 GLN A 96 21.499 -5.529 9.721 1.00 0.00 H ATOM 1477 HG3 GLN A 96 21.274 -4.791 8.118 1.00 0.00 H ATOM 1478 HE22 GLN A 96 23.031 -5.460 6.975 1.00 0.00 H ATOM 1479 HE21 GLN A 96 24.725 -5.144 7.500 1.00 0.00 H ATOM 1480 H GLN A 96 20.486 -2.076 7.639 1.00 0.00 H ATOM 1481 N ALA A 97 19.259 -0.944 10.315 1.00 18.08 N ATOM 1482 CA ALA A 97 18.586 -0.089 11.274 1.00 18.15 C ATOM 1483 C ALA A 97 17.060 -0.298 11.133 1.00 19.51 C ATOM 1484 O ALA A 97 16.362 -0.493 12.144 1.00 22.19 O ATOM 1485 CB ALA A 97 18.945 1.402 11.076 1.00 13.48 C ATOM 1486 HA ALA A 97 18.917 -0.362 12.276 1.00 0.00 H ATOM 1487 HB1 ALA A 97 20.020 1.535 11.198 1.00 0.00 H ATOM 1488 HB2 ALA A 97 18.650 1.716 10.075 1.00 0.00 H ATOM 1489 HB3 ALA A 97 18.417 2.003 11.817 1.00 0.00 H ATOM 1490 H ALA A 97 19.796 -0.537 9.523 1.00 0.00 H ATOM 1491 N VAL A 98 16.520 -0.306 9.918 1.00 17.72 N ATOM 1492 CA VAL A 98 15.086 -0.469 9.820 1.00 17.24 C ATOM 1493 C VAL A 98 14.615 -1.815 10.311 1.00 18.08 C ATOM 1494 O VAL A 98 13.670 -1.890 11.082 1.00 19.80 O ATOM 1495 CB VAL A 98 14.568 -0.216 8.385 1.00 16.49 C ATOM 1496 CG1 VAL A 98 13.127 -0.644 8.279 1.00 14.30 C ATOM 1497 CG2 VAL A 98 14.700 1.275 8.035 1.00 13.66 C ATOM 1498 HA VAL A 98 14.662 0.290 10.478 1.00 0.00 H ATOM 1499 HB VAL A 98 15.165 -0.798 7.683 1.00 0.00 H ATOM 1500 HG11 VAL A 98 13.047 -1.706 8.509 1.00 0.00 H ATOM 1501 HG12 VAL A 98 12.526 -0.071 8.986 1.00 0.00 H ATOM 1502 HG13 VAL A 98 12.769 -0.463 7.266 1.00 0.00 H ATOM 1503 HG21 VAL A 98 14.113 1.865 8.739 1.00 0.00 H ATOM 1504 HG22 VAL A 98 15.748 1.570 8.096 1.00 0.00 H ATOM 1505 HG23 VAL A 98 14.333 1.443 7.023 1.00 0.00 H ATOM 1506 H VAL A 98 17.108 -0.199 9.067 1.00 0.00 H ATOM 1507 N GLU A 99 15.278 -2.878 9.890 1.00 19.57 N ATOM 1508 CA GLU A 99 14.919 -4.237 10.316 1.00 20.07 C ATOM 1509 C GLU A 99 14.984 -4.400 11.829 1.00 19.41 C ATOM 1510 O GLU A 99 14.101 -5.027 12.426 1.00 19.78 O ATOM 1511 CB GLU A 99 15.844 -5.256 9.661 1.00 22.29 C ATOM 1512 CG GLU A 99 15.515 -6.683 10.015 1.00 26.33 C ATOM 1513 CD GLU A 99 16.251 -7.672 9.140 1.00 28.40 C ATOM 1514 OE1 GLU A 99 17.468 -7.448 8.957 1.00 31.38 O ATOM 1515 OE2 GLU A 99 15.635 -8.658 8.656 1.00 27.93 O ATOM 1516 HA GLU A 99 13.890 -4.409 10.001 1.00 0.00 H ATOM 1517 HB2 GLU A 99 15.771 -5.143 8.579 1.00 0.00 H ATOM 1518 HB3 GLU A 99 16.866 -5.049 9.978 1.00 0.00 H ATOM 1519 HG2 GLU A 99 15.791 -6.860 11.054 1.00 0.00 H ATOM 1520 HG3 GLU A 99 14.443 -6.837 9.894 1.00 0.00 H ATOM 1521 H GLU A 99 16.078 -2.748 9.238 1.00 0.00 H ATOM 1522 N ALA A 100 16.032 -3.836 12.440 1.00 18.37 N ATOM 1523 CA ALA A 100 16.213 -3.856 13.899 1.00 17.15 C ATOM 1524 C ALA A 100 15.093 -3.124 14.575 1.00 16.57 C ATOM 1525 O ALA A 100 14.543 -3.600 15.534 1.00 18.02 O ATOM 1526 CB ALA A 100 17.537 -3.213 14.310 1.00 15.99 C ATOM 1527 HA ALA A 100 16.217 -4.901 14.208 1.00 0.00 H ATOM 1528 HB1 ALA A 100 18.362 -3.759 13.853 1.00 0.00 H ATOM 1529 HB2 ALA A 100 17.556 -2.176 13.974 1.00 0.00 H ATOM 1530 HB3 ALA A 100 17.634 -3.247 15.395 1.00 0.00 H ATOM 1531 H ALA A 100 16.751 -3.362 11.857 1.00 0.00 H ATOM 1532 N ALA A 101 14.732 -1.961 14.072 1.00 15.98 N ATOM 1533 CA ALA A 101 13.655 -1.232 14.726 1.00 17.24 C ATOM 1534 C ALA A 101 12.253 -1.889 14.605 1.00 17.95 C ATOM 1535 O ALA A 101 11.404 -1.778 15.517 1.00 17.32 O ATOM 1536 CB ALA A 101 13.622 0.208 14.227 1.00 13.28 C ATOM 1537 HA ALA A 101 13.885 -1.258 15.791 1.00 0.00 H ATOM 1538 HB1 ALA A 101 14.572 0.692 14.453 1.00 0.00 H ATOM 1539 HB2 ALA A 101 13.457 0.214 13.150 1.00 0.00 H ATOM 1540 HB3 ALA A 101 12.813 0.744 14.723 1.00 0.00 H ATOM 1541 H ALA A 101 15.204 -1.574 13.230 1.00 0.00 H ATOM 1542 N ILE A 102 12.008 -2.594 13.510 1.00 17.94 N ATOM 1543 CA ILE A 102 10.704 -3.205 13.350 1.00 20.43 C ATOM 1544 C ILE A 102 10.582 -4.463 14.173 1.00 21.82 C ATOM 1545 O ILE A 102 9.493 -4.787 14.638 1.00 22.26 O ATOM 1546 CB ILE A 102 10.414 -3.521 11.888 1.00 19.89 C ATOM 1547 CG1 ILE A 102 10.612 -2.258 11.040 1.00 20.60 C ATOM 1548 CG2 ILE A 102 9.004 -4.008 11.733 1.00 19.13 C ATOM 1549 CD1 ILE A 102 10.402 -2.524 9.487 1.00 20.87 C ATOM 1550 HA ILE A 102 9.970 -2.481 13.704 1.00 0.00 H ATOM 1551 HB ILE A 102 11.099 -4.300 11.553 1.00 0.00 H ATOM 1552 HG12 ILE A 102 9.896 -1.503 11.365 1.00 0.00 H ATOM 1553 HG13 ILE A 102 11.625 -1.887 11.197 1.00 0.00 H ATOM 1554 HD11 ILE A 102 11.119 -3.271 9.147 1.00 0.00 H ATOM 1555 HD12 ILE A 102 9.389 -2.887 9.316 1.00 0.00 H ATOM 1556 HD13 ILE A 102 10.555 -1.596 8.937 1.00 0.00 H ATOM 1557 HG21 ILE A 102 8.865 -4.911 12.328 1.00 0.00 H ATOM 1558 HG22 ILE A 102 8.315 -3.236 12.075 1.00 0.00 H ATOM 1559 HG23 ILE A 102 8.811 -4.230 10.683 1.00 0.00 H ATOM 1560 H ILE A 102 12.739 -2.707 12.779 1.00 0.00 H ATOM 1561 N GLN A 103 11.689 -5.177 14.357 1.00 24.42 N ATOM 1562 CA GLN A 103 11.643 -6.402 15.163 1.00 28.34 C ATOM 1563 C GLN A 103 11.401 -6.028 16.650 1.00 28.28 C ATOM 1564 O GLN A 103 10.806 -6.766 17.427 1.00 27.78 O ATOM 1565 CB GLN A 103 12.932 -7.249 14.949 1.00 32.27 C ATOM 1566 CG GLN A 103 12.957 -7.947 13.554 1.00 39.71 C ATOM 1567 CD GLN A 103 14.312 -8.548 13.131 1.00 43.74 C ATOM 1568 OE1 GLN A 103 15.359 -7.886 13.179 1.00 46.48 O ATOM 1569 NE2 GLN A 103 14.282 -9.807 12.690 1.00 45.14 N ATOM 1570 HA GLN A 103 10.812 -7.031 14.843 1.00 0.00 H ATOM 1571 HB2 GLN A 103 13.800 -6.594 15.029 1.00 0.00 H ATOM 1572 HB3 GLN A 103 12.982 -8.013 15.725 1.00 0.00 H ATOM 1573 HG2 GLN A 103 12.223 -8.753 13.569 1.00 0.00 H ATOM 1574 HG3 GLN A 103 12.669 -7.209 12.805 1.00 0.00 H ATOM 1575 HE22 GLN A 103 13.382 -10.328 12.666 1.00 0.00 H ATOM 1576 HE21 GLN A 103 15.158 -10.267 12.371 1.00 0.00 H ATOM 1577 H GLN A 103 12.586 -4.867 13.930 1.00 0.00 H ATOM 1578 N GLN A 104 11.846 -4.848 17.028 1.00 28.11 N ATOM 1579 CA GLN A 104 11.623 -4.385 18.375 1.00 29.07 C ATOM 1580 C GLN A 104 10.178 -3.892 18.495 1.00 28.24 C ATOM 1581 O GLN A 104 9.501 -4.143 19.495 1.00 28.54 O ATOM 1582 CB GLN A 104 12.665 -3.305 18.696 1.00 28.86 C ATOM 1583 CG GLN A 104 14.055 -3.948 18.652 1.00 29.74 C ATOM 1584 CD GLN A 104 15.213 -3.064 19.067 1.00 29.46 C ATOM 1585 OE1 GLN A 104 15.115 -2.293 20.027 1.00 28.79 O ATOM 1586 NE2 GLN A 104 16.346 -3.205 18.360 1.00 30.42 N ATOM 1587 HA GLN A 104 11.747 -5.183 19.107 1.00 0.00 H ATOM 1588 HB2 GLN A 104 12.606 -2.505 17.959 1.00 0.00 H ATOM 1589 HB3 GLN A 104 12.479 -2.897 19.689 1.00 0.00 H ATOM 1590 HG2 GLN A 104 14.043 -4.814 19.314 1.00 0.00 H ATOM 1591 HG3 GLN A 104 14.237 -4.277 17.629 1.00 0.00 H ATOM 1592 HE22 GLN A 104 16.380 -3.867 17.559 1.00 0.00 H ATOM 1593 HE21 GLN A 104 17.189 -2.652 18.613 1.00 0.00 H ATOM 1594 H GLN A 104 12.360 -4.248 16.352 1.00 0.00 H ATOM 1595 N GLN A 105 9.684 -3.222 17.458 1.00 27.32 N ATOM 1596 CA GLN A 105 8.317 -2.746 17.512 1.00 25.84 C ATOM 1597 C GLN A 105 7.363 -3.943 17.532 1.00 25.73 C ATOM 1598 O GLN A 105 6.339 -3.930 18.216 1.00 22.34 O ATOM 1599 CB GLN A 105 8.002 -1.838 16.326 1.00 23.54 C ATOM 1600 CG GLN A 105 6.695 -1.123 16.528 1.00 23.65 C ATOM 1601 CD GLN A 105 6.243 -0.271 15.353 1.00 25.00 C ATOM 1602 OE1 GLN A 105 7.069 0.267 14.584 1.00 26.00 O ATOM 1603 NE2 GLN A 105 4.924 -0.128 15.213 1.00 20.91 N ATOM 1604 HA GLN A 105 8.187 -2.160 18.422 1.00 0.00 H ATOM 1605 HB2 GLN A 105 8.799 -1.102 16.219 1.00 0.00 H ATOM 1606 HB3 GLN A 105 7.942 -2.442 15.420 1.00 0.00 H ATOM 1607 HG2 GLN A 105 5.926 -1.871 16.720 1.00 0.00 H ATOM 1608 HG3 GLN A 105 6.795 -0.474 17.398 1.00 0.00 H ATOM 1609 HE22 GLN A 105 4.277 -0.596 15.879 1.00 0.00 H ATOM 1610 HE21 GLN A 105 4.543 0.451 14.438 1.00 0.00 H ATOM 1611 H GLN A 105 10.272 -3.042 16.619 1.00 0.00 H ATOM 1612 N LYS A 106 7.728 -4.985 16.788 1.00 27.70 N ATOM 1613 CA LYS A 106 6.895 -6.179 16.703 1.00 31.21 C ATOM 1614 C LYS A 106 6.954 -6.970 18.021 1.00 31.93 C ATOM 1615 O LYS A 106 5.978 -7.590 18.433 1.00 32.62 O ATOM 1616 CB LYS A 106 7.344 -7.063 15.537 1.00 32.41 C ATOM 1617 CG LYS A 106 8.685 -7.756 15.805 1.00 35.52 C ATOM 1618 CD LYS A 106 8.671 -9.204 15.311 1.00 36.40 C ATOM 1619 CE LYS A 106 9.941 -9.939 15.663 1.00 36.41 C ATOM 1620 NZ LYS A 106 9.958 -10.361 17.081 1.00 35.59 N ATOM 1621 HA LYS A 106 5.865 -5.868 16.528 1.00 0.00 H ATOM 1622 HB2 LYS A 106 6.585 -7.826 15.364 1.00 0.00 H ATOM 1623 HB3 LYS A 106 7.443 -6.443 14.646 1.00 0.00 H ATOM 1624 HG2 LYS A 106 9.476 -7.212 15.288 1.00 0.00 H ATOM 1625 HG3 LYS A 106 8.881 -7.748 16.877 1.00 0.00 H ATOM 1626 HD2 LYS A 106 7.827 -9.722 15.767 1.00 0.00 H ATOM 1627 HD3 LYS A 106 8.554 -9.204 14.227 1.00 0.00 H ATOM 1628 HE2 LYS A 106 10.791 -9.282 15.480 1.00 0.00 H ATOM 1629 HE3 LYS A 106 10.024 -10.823 15.031 1.00 0.00 H ATOM 1630 HZ1 LYS A 106 9.886 -9.522 17.692 1.00 0.00 H ATOM 1631 HZ2 LYS A 106 9.153 -10.994 17.263 1.00 0.00 H ATOM 1632 HZ3 LYS A 106 10.847 -10.862 17.282 1.00 0.00 H ATOM 1633 H LYS A 106 8.622 -4.947 16.258 1.00 0.00 H ATOM 1634 N ALA A 107 8.091 -6.938 18.691 1.00 31.89 N ATOM 1635 CA ALA A 107 8.203 -7.655 19.940 1.00 33.52 C ATOM 1636 C ALA A 107 7.325 -7.005 21.041 1.00 35.25 C ATOM 1637 O ALA A 107 7.479 -7.303 22.233 1.00 35.29 O ATOM 1638 CB ALA A 107 9.674 -7.709 20.376 1.00 31.66 C ATOM 1639 HA ALA A 107 7.840 -8.672 19.791 1.00 0.00 H ATOM 1640 HB1 ALA A 107 10.260 -8.220 19.612 1.00 0.00 H ATOM 1641 HB2 ALA A 107 10.051 -6.694 20.506 1.00 0.00 H ATOM 1642 HB3 ALA A 107 9.753 -8.251 21.319 1.00 0.00 H ATOM 1643 H ALA A 107 8.901 -6.400 18.322 1.00 0.00 H ATOM 1644 N GLN A 108 6.388 -6.143 20.641 1.00 35.48 N ATOM 1645 CA GLN A 108 5.520 -5.457 21.611 1.00 35.03 C ATOM 1646 C GLN A 108 4.061 -5.889 21.510 1.00 35.50 C ATOM 1647 O GLN A 108 3.808 -6.795 20.674 1.00 37.62 O ATOM 1648 CB GLN A 108 5.638 -3.947 21.407 1.00 33.19 C ATOM 1649 CG GLN A 108 7.076 -3.502 21.281 1.00 30.53 C ATOM 1650 CD GLN A 108 7.851 -3.775 22.540 1.00 31.87 C ATOM 1651 OE1 GLN A 108 7.511 -3.259 23.601 1.00 32.17 O ATOM 1652 NE2 GLN A 108 8.889 -4.593 22.444 1.00 30.63 N ATOM 1653 HA GLN A 108 5.857 -5.734 22.610 1.00 0.00 H ATOM 1654 HB2 GLN A 108 5.104 -3.672 20.498 1.00 0.00 H ATOM 1655 HB3 GLN A 108 5.186 -3.440 22.260 1.00 0.00 H ATOM 1656 HG2 GLN A 108 7.542 -4.039 20.455 1.00 0.00 H ATOM 1657 HG3 GLN A 108 7.099 -2.432 21.076 1.00 0.00 H ATOM 1658 HE22 GLN A 108 9.141 -5.008 21.524 1.00 0.00 H ATOM 1659 HE21 GLN A 108 9.452 -4.820 23.289 1.00 0.00 H ATOM 1660 H GLN A 108 6.269 -5.953 19.625 1.00 0.00 H TER 1661 GLN A 108 ATOM 1662 N GLY B 5 14.585 13.371 22.034 1.00 34.44 N ATOM 1663 CA GLY B 5 15.520 12.529 22.820 1.00 33.71 C ATOM 1664 C GLY B 5 15.596 11.093 22.334 1.00 33.39 C ATOM 1665 O GLY B 5 15.225 10.789 21.183 1.00 33.93 O ATOM 1666 HA3 GLY B 5 15.191 12.525 23.859 1.00 0.00 H ATOM 1667 HA2 GLY B 5 16.516 12.968 22.757 1.00 0.00 H ATOM 1668 HN3 GLY B 5 13.627 12.971 22.093 1.00 0.00 H ATOM 1669 HN2 GLY B 5 14.892 13.394 21.041 1.00 0.00 H ATOM 1670 HN1 GLY B 5 14.583 14.337 22.420 1.00 0.00 H ATOM 1671 N SER B 6 16.078 10.207 23.209 1.00 31.21 N ATOM 1672 CA SER B 6 16.217 8.801 22.856 1.00 29.21 C ATOM 1673 C SER B 6 15.025 8.012 23.364 1.00 26.44 C ATOM 1674 O SER B 6 14.527 8.261 24.445 1.00 25.82 O ATOM 1675 CB SER B 6 17.512 8.224 23.421 1.00 29.74 C ATOM 1676 OG SER B 6 17.430 8.136 24.822 1.00 33.22 O ATOM 1677 HA SER B 6 16.254 8.724 21.769 1.00 0.00 H ATOM 1678 HB2 SER B 6 18.345 8.872 23.148 1.00 0.00 H ATOM 1679 HB3 SER B 6 17.675 7.230 23.006 1.00 0.00 H ATOM 1680 HG SER B 6 16.675 7.546 25.071 1.00 0.00 H ATOM 1681 H SER B 6 16.359 10.526 24.158 1.00 0.00 H ATOM 1682 N GLN B 7 14.601 7.039 22.569 1.00 24.68 N ATOM 1683 CA GLN B 7 13.433 6.242 22.876 1.00 22.32 C ATOM 1684 C GLN B 7 13.648 4.775 23.254 1.00 21.55 C ATOM 1685 O GLN B 7 14.481 4.069 22.682 1.00 19.34 O ATOM 1686 CB GLN B 7 12.482 6.327 21.702 1.00 20.51 C ATOM 1687 CG GLN B 7 12.140 7.728 21.381 1.00 22.44 C ATOM 1688 CD GLN B 7 11.189 7.822 20.253 1.00 24.27 C ATOM 1689 OE1 GLN B 7 11.452 7.312 19.150 1.00 23.80 O ATOM 1690 NE2 GLN B 7 10.058 8.471 20.501 1.00 24.57 N ATOM 1691 HA GLN B 7 13.038 6.678 23.794 1.00 0.00 H ATOM 1692 HB2 GLN B 7 12.952 5.869 20.832 1.00 0.00 H ATOM 1693 HB3 GLN B 7 11.568 5.786 21.947 1.00 0.00 H ATOM 1694 HG2 GLN B 7 11.691 8.191 22.260 1.00 0.00 H ATOM 1695 HG3 GLN B 7 13.053 8.262 21.117 1.00 0.00 H ATOM 1696 HE22 GLN B 7 9.888 8.879 21.442 1.00 0.00 H ATOM 1697 HE21 GLN B 7 9.342 8.571 19.754 1.00 0.00 H ATOM 1698 H GLN B 7 15.127 6.842 21.694 1.00 0.00 H ATOM 1699 N PHE B 8 12.834 4.329 24.209 1.00 19.99 N ATOM 1700 CA PHE B 8 12.892 2.970 24.711 1.00 17.95 C ATOM 1701 C PHE B 8 11.486 2.378 24.710 1.00 18.40 C ATOM 1702 O PHE B 8 10.526 3.081 25.048 1.00 18.89 O ATOM 1703 CB PHE B 8 13.462 2.984 26.146 1.00 14.66 C ATOM 1704 CG PHE B 8 14.785 3.699 26.271 1.00 13.30 C ATOM 1705 CD1 PHE B 8 14.834 5.052 26.561 1.00 14.42 C ATOM 1706 CD2 PHE B 8 15.985 3.019 26.069 1.00 13.40 C ATOM 1707 CE1 PHE B 8 16.059 5.716 26.648 1.00 14.52 C ATOM 1708 CE2 PHE B 8 17.218 3.664 26.155 1.00 12.00 C ATOM 1709 CZ PHE B 8 17.260 5.005 26.443 1.00 14.71 C ATOM 1710 HA PHE B 8 13.537 2.362 24.077 1.00 0.00 H ATOM 1711 HB2 PHE B 8 12.741 3.479 26.797 1.00 0.00 H ATOM 1712 HB3 PHE B 8 13.597 1.953 26.472 1.00 0.00 H ATOM 1713 HD2 PHE B 8 15.959 1.954 25.838 1.00 0.00 H ATOM 1714 HE2 PHE B 8 18.141 3.107 25.995 1.00 0.00 H ATOM 1715 HZ PHE B 8 18.218 5.519 26.513 1.00 0.00 H ATOM 1716 HE1 PHE B 8 16.087 6.782 26.874 1.00 0.00 H ATOM 1717 HD1 PHE B 8 13.908 5.604 26.723 1.00 0.00 H ATOM 1718 H PHE B 8 12.130 4.981 24.610 1.00 0.00 H ATOM 1719 N TRP B 9 11.343 1.123 24.290 1.00 17.36 N ATOM 1720 CA TRP B 9 10.035 0.484 24.334 1.00 17.79 C ATOM 1721 C TRP B 9 9.992 -0.099 25.754 1.00 18.99 C ATOM 1722 O TRP B 9 10.991 -0.677 26.233 1.00 17.82 O ATOM 1723 CB TRP B 9 9.892 -0.680 23.320 1.00 19.12 C ATOM 1724 CG TRP B 9 9.681 -0.293 21.883 1.00 17.49 C ATOM 1725 CD1 TRP B 9 10.617 -0.332 20.877 1.00 18.77 C ATOM 1726 CD2 TRP B 9 8.480 0.190 21.289 1.00 17.75 C ATOM 1727 NE1 TRP B 9 10.076 0.092 19.683 1.00 17.50 N ATOM 1728 CE2 TRP B 9 8.760 0.425 19.901 1.00 20.93 C ATOM 1729 CE3 TRP B 9 7.189 0.447 21.769 1.00 15.89 C ATOM 1730 CZ2 TRP B 9 7.782 0.924 19.003 1.00 17.81 C ATOM 1731 CZ3 TRP B 9 6.228 0.935 20.885 1.00 14.96 C ATOM 1732 CH2 TRP B 9 6.528 1.165 19.518 1.00 16.82 C ATOM 1733 HA TRP B 9 9.241 1.190 24.089 1.00 0.00 H ATOM 1734 HB2 TRP B 9 10.801 -1.279 23.372 1.00 0.00 H ATOM 1735 HB3 TRP B 9 9.040 -1.286 23.629 1.00 0.00 H ATOM 1736 HE1 TRP B 9 10.577 0.150 18.773 1.00 0.00 H ATOM 1737 HD1 TRP B 9 11.650 -0.655 21.007 1.00 0.00 H ATOM 1738 HZ2 TRP B 9 8.013 1.108 17.954 1.00 0.00 H ATOM 1739 HH2 TRP B 9 5.746 1.542 18.859 1.00 0.00 H ATOM 1740 HZ3 TRP B 9 5.223 1.145 21.253 1.00 0.00 H ATOM 1741 HE3 TRP B 9 6.941 0.268 22.815 1.00 0.00 H ATOM 1742 H TRP B 9 12.166 0.598 23.930 1.00 0.00 H ATOM 1743 N VAL B 10 8.841 0.052 26.416 1.00 17.38 N ATOM 1744 CA VAL B 10 8.680 -0.430 27.766 1.00 15.34 C ATOM 1745 C VAL B 10 7.298 -0.917 27.998 1.00 14.55 C ATOM 1746 O VAL B 10 6.369 -0.615 27.246 1.00 13.87 O ATOM 1747 CB VAL B 10 8.985 0.659 28.805 1.00 17.55 C ATOM 1748 CG1 VAL B 10 10.463 1.003 28.754 1.00 18.21 C ATOM 1749 CG2 VAL B 10 8.117 1.914 28.553 1.00 17.86 C ATOM 1750 HA VAL B 10 9.391 -1.248 27.884 1.00 0.00 H ATOM 1751 HB VAL B 10 8.742 0.284 29.799 1.00 0.00 H ATOM 1752 HG11 VAL B 10 11.050 0.112 28.976 1.00 0.00 H ATOM 1753 HG12 VAL B 10 10.716 1.367 27.758 1.00 0.00 H ATOM 1754 HG13 VAL B 10 10.680 1.776 29.491 1.00 0.00 H ATOM 1755 HG21 VAL B 10 8.328 2.306 27.558 1.00 0.00 H ATOM 1756 HG22 VAL B 10 7.063 1.645 28.623 1.00 0.00 H ATOM 1757 HG23 VAL B 10 8.350 2.672 29.301 1.00 0.00 H ATOM 1758 H VAL B 10 8.044 0.528 25.947 1.00 0.00 H ATOM 1759 N THR B 11 7.174 -1.678 29.069 1.00 13.62 N ATOM 1760 CA THR B 11 5.909 -2.286 29.439 1.00 14.19 C ATOM 1761 C THR B 11 5.497 -1.850 30.833 1.00 14.33 C ATOM 1762 O THR B 11 6.175 -2.131 31.830 1.00 14.15 O ATOM 1763 CB THR B 11 6.008 -3.843 29.384 1.00 14.80 C ATOM 1764 OG1 THR B 11 6.525 -4.240 28.094 1.00 16.01 O ATOM 1765 CG2 THR B 11 4.632 -4.486 29.605 1.00 12.44 C ATOM 1766 HA THR B 11 5.155 -1.955 28.725 1.00 0.00 H ATOM 1767 HB THR B 11 6.677 -4.180 30.176 1.00 0.00 H ATOM 1768 HG1 THR B 11 7.423 -3.844 27.964 1.00 0.00 H ATOM 1769 HG23 THR B 11 4.244 -4.185 30.578 1.00 0.00 H ATOM 1770 HG21 THR B 11 3.949 -4.157 28.822 1.00 0.00 H ATOM 1771 HG22 THR B 11 4.730 -5.571 29.571 1.00 0.00 H ATOM 1772 H THR B 11 8.008 -1.847 29.666 1.00 0.00 H ATOM 1773 N SER B 12 4.360 -1.176 30.885 1.00 14.12 N ATOM 1774 CA SER B 12 3.772 -0.658 32.114 1.00 13.64 C ATOM 1775 C SER B 12 3.580 -1.728 33.181 1.00 14.75 C ATOM 1776 O SER B 12 2.877 -2.705 32.948 1.00 14.91 O ATOM 1777 CB SER B 12 2.415 -0.023 31.777 1.00 11.97 C ATOM 1778 OG SER B 12 1.835 0.598 32.892 1.00 11.00 O ATOM 1779 HA SER B 12 4.463 0.077 32.527 1.00 0.00 H ATOM 1780 HB2 SER B 12 1.742 -0.801 31.417 1.00 0.00 H ATOM 1781 HB3 SER B 12 2.559 0.722 30.994 1.00 0.00 H ATOM 1782 HG SER B 12 0.965 0.993 32.633 1.00 0.00 H ATOM 1783 H SER B 12 3.854 -1.005 29.993 1.00 0.00 H ATOM 1784 N GLN B 13 4.204 -1.543 34.343 1.00 16.05 N ATOM 1785 CA GLN B 13 4.036 -2.493 35.454 1.00 18.33 C ATOM 1786 C GLN B 13 3.125 -1.801 36.484 1.00 17.58 C ATOM 1787 O GLN B 13 3.446 -0.740 37.007 1.00 16.66 O ATOM 1788 CB GLN B 13 5.388 -2.874 36.090 1.00 20.22 C ATOM 1789 CG GLN B 13 5.307 -3.972 37.154 1.00 23.31 C ATOM 1790 CD GLN B 13 6.665 -4.668 37.373 1.00 28.85 C ATOM 1791 OE1 GLN B 13 7.428 -4.352 38.326 1.00 28.52 O ATOM 1792 NE2 GLN B 13 6.984 -5.616 36.476 1.00 27.34 N ATOM 1793 HA GLN B 13 3.598 -3.424 35.095 1.00 0.00 H ATOM 1794 HB2 GLN B 13 6.052 -3.218 35.297 1.00 0.00 H ATOM 1795 HB3 GLN B 13 5.809 -1.982 36.554 1.00 0.00 H ATOM 1796 HG2 GLN B 13 4.984 -3.527 38.095 1.00 0.00 H ATOM 1797 HG3 GLN B 13 4.577 -4.717 36.836 1.00 0.00 H ATOM 1798 HE22 GLN B 13 6.325 -5.845 35.705 1.00 0.00 H ATOM 1799 HE21 GLN B 13 7.890 -6.121 36.553 1.00 0.00 H ATOM 1800 H GLN B 13 4.820 -0.714 34.467 1.00 0.00 H ATOM 1801 N LYS B 14 1.983 -2.421 36.733 1.00 16.88 N ATOM 1802 CA LYS B 14 0.961 -1.928 37.641 1.00 16.68 C ATOM 1803 C LYS B 14 1.403 -1.263 38.981 1.00 16.08 C ATOM 1804 O LYS B 14 2.174 -1.835 39.772 1.00 15.21 O ATOM 1805 CB LYS B 14 -0.001 -3.084 37.906 1.00 17.56 C ATOM 1806 CG LYS B 14 -1.332 -2.713 38.475 1.00 22.41 C ATOM 1807 CD LYS B 14 -1.978 -3.968 39.032 1.00 27.01 C ATOM 1808 CE LYS B 14 -3.439 -3.765 39.403 1.00 29.96 C ATOM 1809 NZ LYS B 14 -3.582 -2.836 40.553 1.00 33.95 N ATOM 1810 HA LYS B 14 0.510 -1.080 37.125 1.00 0.00 H ATOM 1811 HB2 LYS B 14 -0.174 -3.597 36.960 1.00 0.00 H ATOM 1812 HB3 LYS B 14 0.482 -3.766 38.605 1.00 0.00 H ATOM 1813 HG2 LYS B 14 -1.202 -1.980 39.272 1.00 0.00 H ATOM 1814 HG3 LYS B 14 -1.962 -2.289 37.693 1.00 0.00 H ATOM 1815 HD2 LYS B 14 -1.915 -4.755 38.280 1.00 0.00 H ATOM 1816 HD3 LYS B 14 -1.431 -4.275 39.924 1.00 0.00 H ATOM 1817 HE2 LYS B 14 -3.875 -4.728 39.668 1.00 0.00 H ATOM 1818 HE3 LYS B 14 -3.969 -3.352 38.545 1.00 0.00 H ATOM 1819 HZ1 LYS B 14 -3.083 -3.227 41.377 1.00 0.00 H ATOM 1820 HZ2 LYS B 14 -3.173 -1.913 40.304 1.00 0.00 H ATOM 1821 HZ3 LYS B 14 -4.590 -2.720 40.780 1.00 0.00 H ATOM 1822 H LYS B 14 1.805 -3.322 36.246 1.00 0.00 H ATOM 1823 N THR B 15 0.899 -0.047 39.194 1.00 14.17 N ATOM 1824 CA THR B 15 1.118 0.746 40.410 1.00 16.25 C ATOM 1825 C THR B 15 -0.172 1.573 40.564 1.00 17.78 C ATOM 1826 O THR B 15 -0.993 1.605 39.659 1.00 21.12 O ATOM 1827 CB THR B 15 2.297 1.726 40.316 1.00 14.96 C ATOM 1828 OG1 THR B 15 2.097 2.588 39.193 1.00 13.12 O ATOM 1829 CG2 THR B 15 3.615 0.991 40.220 1.00 13.43 C ATOM 1830 HA THR B 15 1.349 0.078 41.240 1.00 0.00 H ATOM 1831 HB THR B 15 2.338 2.327 41.224 1.00 0.00 H ATOM 1832 HG1 THR B 15 2.854 3.223 39.127 1.00 0.00 H ATOM 1833 HG23 THR B 15 3.734 0.345 41.090 1.00 0.00 H ATOM 1834 HG21 THR B 15 3.627 0.387 39.313 1.00 0.00 H ATOM 1835 HG22 THR B 15 4.431 1.713 40.188 1.00 0.00 H ATOM 1836 H THR B 15 0.309 0.369 38.446 1.00 0.00 H ATOM 1837 N GLU B 16 -0.368 2.244 41.681 1.00 17.84 N ATOM 1838 CA GLU B 16 -1.601 2.982 41.834 1.00 18.09 C ATOM 1839 C GLU B 16 -1.695 4.156 40.874 1.00 17.59 C ATOM 1840 O GLU B 16 -2.746 4.429 40.330 1.00 17.31 O ATOM 1841 CB GLU B 16 -1.744 3.482 43.244 1.00 18.70 C ATOM 1842 CG GLU B 16 -2.939 4.337 43.426 1.00 21.64 C ATOM 1843 CD GLU B 16 -2.969 4.935 44.808 1.00 25.39 C ATOM 1844 OE1 GLU B 16 -2.629 4.199 45.761 1.00 26.64 O ATOM 1845 OE2 GLU B 16 -3.319 6.128 44.948 1.00 26.12 O ATOM 1846 HA GLU B 16 -2.411 2.290 41.601 1.00 0.00 H ATOM 1847 HB2 GLU B 16 -1.823 2.625 43.913 1.00 0.00 H ATOM 1848 HB3 GLU B 16 -0.857 4.061 43.501 1.00 0.00 H ATOM 1849 HG2 GLU B 16 -2.918 5.141 42.690 1.00 0.00 H ATOM 1850 HG3 GLU B 16 -3.835 3.734 43.279 1.00 0.00 H ATOM 1851 H GLU B 16 0.348 2.243 42.435 1.00 0.00 H ATOM 1852 N ALA B 17 -0.604 4.868 40.677 1.00 16.90 N ATOM 1853 CA ALA B 17 -0.648 5.983 39.748 1.00 18.87 C ATOM 1854 C ALA B 17 -0.852 5.486 38.307 1.00 20.92 C ATOM 1855 O ALA B 17 -1.548 6.121 37.532 1.00 21.79 O ATOM 1856 CB ALA B 17 0.644 6.798 39.840 1.00 17.84 C ATOM 1857 HA ALA B 17 -1.492 6.618 40.018 1.00 0.00 H ATOM 1858 HB1 ALA B 17 0.759 7.182 40.854 1.00 0.00 H ATOM 1859 HB2 ALA B 17 1.493 6.160 39.593 1.00 0.00 H ATOM 1860 HB3 ALA B 17 0.598 7.631 39.138 1.00 0.00 H ATOM 1861 H ALA B 17 0.276 4.635 41.180 1.00 0.00 H ATOM 1862 N SER B 18 -0.249 4.354 37.944 1.00 22.26 N ATOM 1863 CA SER B 18 -0.390 3.859 36.581 1.00 23.96 C ATOM 1864 C SER B 18 -1.822 3.435 36.304 1.00 24.54 C ATOM 1865 O SER B 18 -2.337 3.648 35.202 1.00 22.79 O ATOM 1866 CB SER B 18 0.519 2.667 36.337 1.00 24.02 C ATOM 1867 OG SER B 18 -0.075 1.499 36.860 1.00 24.67 O ATOM 1868 HA SER B 18 -0.111 4.675 35.914 1.00 0.00 H ATOM 1869 HB2 SER B 18 1.478 2.836 36.827 1.00 0.00 H ATOM 1870 HB3 SER B 18 0.676 2.545 35.265 1.00 0.00 H ATOM 1871 HG SER B 18 -0.217 1.610 37.834 1.00 0.00 H ATOM 1872 H SER B 18 0.322 3.824 38.633 1.00 0.00 H ATOM 1873 N GLU B 19 -2.456 2.831 37.304 1.00 25.25 N ATOM 1874 CA GLU B 19 -3.820 2.385 37.124 1.00 27.17 C ATOM 1875 C GLU B 19 -4.789 3.565 37.009 1.00 26.54 C ATOM 1876 O GLU B 19 -5.740 3.515 36.221 1.00 26.37 O ATOM 1877 CB GLU B 19 -4.235 1.444 38.252 1.00 29.25 C ATOM 1878 CG GLU B 19 -5.753 1.194 38.307 1.00 34.48 C ATOM 1879 CD GLU B 19 -6.145 -0.173 38.900 1.00 37.05 C ATOM 1880 OE1 GLU B 19 -5.888 -1.197 38.200 1.00 37.65 O ATOM 1881 OE2 GLU B 19 -6.700 -0.204 40.047 1.00 35.96 O ATOM 1882 HA GLU B 19 -3.866 1.834 36.185 1.00 0.00 H ATOM 1883 HB2 GLU B 19 -3.731 0.488 38.109 1.00 0.00 H ATOM 1884 HB3 GLU B 19 -3.921 1.880 39.200 1.00 0.00 H ATOM 1885 HG2 GLU B 19 -6.207 1.975 38.917 1.00 0.00 H ATOM 1886 HG3 GLU B 19 -6.147 1.253 37.292 1.00 0.00 H ATOM 1887 H GLU B 19 -1.973 2.680 38.213 1.00 0.00 H ATOM 1888 N ARG B 20 -4.562 4.637 37.756 1.00 24.38 N ATOM 1889 CA ARG B 20 -5.484 5.740 37.610 1.00 25.85 C ATOM 1890 C ARG B 20 -5.300 6.434 36.262 1.00 26.02 C ATOM 1891 O ARG B 20 -6.266 6.988 35.717 1.00 25.74 O ATOM 1892 CB ARG B 20 -5.354 6.773 38.734 1.00 25.81 C ATOM 1893 CG ARG B 20 -4.032 7.521 38.772 1.00 27.93 C ATOM 1894 CD ARG B 20 -4.201 8.962 39.245 1.00 26.84 C ATOM 1895 NE ARG B 20 -2.910 9.570 39.548 1.00 26.10 N ATOM 1896 CZ ARG B 20 -2.207 9.317 40.648 1.00 29.40 C ATOM 1897 NH1 ARG B 20 -2.666 8.464 41.576 1.00 28.99 N ATOM 1898 NH2 ARG B 20 -1.034 9.914 40.824 1.00 29.08 N ATOM 1899 HA ARG B 20 -6.483 5.307 37.667 1.00 0.00 H ATOM 1900 HB2 ARG B 20 -6.153 7.505 38.615 1.00 0.00 H ATOM 1901 HB3 ARG B 20 -5.477 6.255 39.685 1.00 0.00 H ATOM 1902 HG2 ARG B 20 -3.355 7.005 39.453 1.00 0.00 H ATOM 1903 HG3 ARG B 20 -3.603 7.528 37.770 1.00 0.00 H ATOM 1904 HD2 ARG B 20 -4.819 8.972 40.143 1.00 0.00 H ATOM 1905 HD3 ARG B 20 -4.691 9.539 38.461 1.00 0.00 H ATOM 1906 HE ARG B 20 -2.515 10.243 38.861 1.00 0.00 H ATOM 1907 HH12 ARG B 20 -2.106 8.275 42.432 1.00 0.00 H ATOM 1908 HH11 ARG B 20 -3.582 7.991 41.440 1.00 0.00 H ATOM 1909 HH22 ARG B 20 -0.477 9.723 41.681 1.00 0.00 H ATOM 1910 HH21 ARG B 20 -0.673 10.573 40.105 1.00 0.00 H ATOM 1911 H ARG B 20 -3.759 4.682 38.415 1.00 0.00 H ATOM 1912 N CYS B 21 -4.073 6.404 35.733 1.00 25.48 N ATOM 1913 CA CYS B 21 -3.757 7.022 34.434 1.00 25.77 C ATOM 1914 C CYS B 21 -4.086 6.130 33.228 1.00 24.68 C ATOM 1915 O CYS B 21 -3.665 6.407 32.104 1.00 25.02 O ATOM 1916 CB CYS B 21 -2.280 7.432 34.354 1.00 26.17 C ATOM 1917 SG CYS B 21 -1.834 8.952 35.234 1.00 28.58 S ATOM 1918 HA CYS B 21 -4.397 7.902 34.381 1.00 0.00 H ATOM 1919 HB2 CYS B 21 -2.027 7.568 33.303 1.00 0.00 H ATOM 1920 HB3 CYS B 21 -1.684 6.619 34.768 1.00 0.00 H ATOM 1921 HG CYS B 21 -0.485 9.194 35.075 1.00 0.00 H ATOM 1922 H CYS B 21 -3.313 5.926 36.258 1.00 0.00 H ATOM 1923 N GLY B 22 -4.843 5.067 33.466 1.00 23.79 N ATOM 1924 CA GLY B 22 -5.217 4.174 32.397 1.00 22.96 C ATOM 1925 C GLY B 22 -4.106 3.449 31.671 1.00 23.01 C ATOM 1926 O GLY B 22 -4.352 2.851 30.603 1.00 24.51 O ATOM 1927 HA3 GLY B 22 -5.762 4.760 31.657 1.00 0.00 H ATOM 1928 HA2 GLY B 22 -5.879 3.418 32.819 1.00 0.00 H ATOM 1929 H GLY B 22 -5.170 4.875 34.434 1.00 0.00 H ATOM 1930 N LEU B 23 -2.898 3.471 32.219 1.00 22.09 N ATOM 1931 CA LEU B 23 -1.774 2.782 31.577 1.00 23.56 C ATOM 1932 C LEU B 23 -1.788 1.233 31.573 1.00 24.28 C ATOM 1933 O LEU B 23 -2.179 0.595 32.554 1.00 24.12 O ATOM 1934 CB LEU B 23 -0.468 3.218 32.217 1.00 23.44 C ATOM 1935 CG LEU B 23 -0.019 4.658 32.106 1.00 22.19 C ATOM 1936 CD1 LEU B 23 1.444 4.704 32.540 1.00 19.74 C ATOM 1937 CD2 LEU B 23 -0.197 5.131 30.667 1.00 22.16 C ATOM 1938 HA LEU B 23 -1.877 3.078 30.533 1.00 0.00 H ATOM 1939 HB2 LEU B 23 -0.547 2.993 33.281 1.00 0.00 H ATOM 1940 HB3 LEU B 23 0.319 2.607 31.775 1.00 0.00 H ATOM 1941 HG LEU B 23 -0.609 5.320 32.740 1.00 0.00 H ATOM 1942 HD21 LEU B 23 0.404 4.508 30.004 1.00 0.00 H ATOM 1943 HD22 LEU B 23 -1.248 5.053 30.388 1.00 0.00 H ATOM 1944 HD23 LEU B 23 0.126 6.169 30.584 1.00 0.00 H ATOM 1945 HD11 LEU B 23 1.528 4.352 33.568 1.00 0.00 H ATOM 1946 HD12 LEU B 23 2.036 4.064 31.886 1.00 0.00 H ATOM 1947 HD13 LEU B 23 1.809 5.729 32.475 1.00 0.00 H ATOM 1948 H LEU B 23 -2.747 3.982 33.112 1.00 0.00 H ATOM 1949 N GLN B 24 -1.359 0.635 30.463 1.00 24.74 N ATOM 1950 CA GLN B 24 -1.252 -0.825 30.371 1.00 26.51 C ATOM 1951 C GLN B 24 -0.731 -1.270 29.034 1.00 24.42 C ATOM 1952 O GLN B 24 -1.204 -0.818 28.005 1.00 25.01 O ATOM 1953 CB GLN B 24 -2.580 -1.527 30.667 1.00 29.92 C ATOM 1954 CG GLN B 24 -3.628 -1.458 29.589 1.00 35.75 C ATOM 1955 CD GLN B 24 -4.902 -2.170 30.030 1.00 40.54 C ATOM 1956 OE1 GLN B 24 -4.940 -3.399 30.124 1.00 42.90 O ATOM 1957 NE2 GLN B 24 -5.950 -1.396 30.330 1.00 42.90 N ATOM 1958 HA GLN B 24 -0.534 -1.116 31.138 1.00 0.00 H ATOM 1959 HB2 GLN B 24 -2.365 -2.579 30.854 1.00 0.00 H ATOM 1960 HB3 GLN B 24 -3.000 -1.078 31.567 1.00 0.00 H ATOM 1961 HG2 GLN B 24 -3.856 -0.413 29.378 1.00 0.00 H ATOM 1962 HG3 GLN B 24 -3.245 -1.935 28.686 1.00 0.00 H ATOM 1963 HE22 GLN B 24 -5.877 -0.363 30.237 1.00 0.00 H ATOM 1964 HE21 GLN B 24 -6.838 -1.827 30.656 1.00 0.00 H ATOM 1965 H GLN B 24 -1.094 1.217 29.643 1.00 0.00 H ATOM 1966 N GLY B 25 0.238 -2.179 29.062 1.00 22.92 N ATOM 1967 CA GLY B 25 0.851 -2.648 27.832 1.00 19.97 C ATOM 1968 C GLY B 25 2.139 -1.905 27.477 1.00 18.98 C ATOM 1969 O GLY B 25 2.818 -1.311 28.337 1.00 15.96 O ATOM 1970 HA3 GLY B 25 0.139 -2.515 27.018 1.00 0.00 H ATOM 1971 HA2 GLY B 25 1.082 -3.708 27.942 1.00 0.00 H ATOM 1972 H GLY B 25 0.561 -2.559 29.975 1.00 0.00 H ATOM 1973 N SER B 26 2.477 -1.948 26.192 1.00 18.35 N ATOM 1974 CA SER B 26 3.680 -1.297 25.692 1.00 18.80 C ATOM 1975 C SER B 26 3.552 0.189 25.371 1.00 18.20 C ATOM 1976 O SER B 26 2.477 0.679 25.017 1.00 16.93 O ATOM 1977 CB SER B 26 4.190 -2.001 24.428 1.00 20.96 C ATOM 1978 OG SER B 26 5.123 -3.013 24.747 1.00 26.90 O ATOM 1979 HA SER B 26 4.377 -1.379 26.526 1.00 0.00 H ATOM 1980 HB2 SER B 26 4.669 -1.267 23.781 1.00 0.00 H ATOM 1981 HB3 SER B 26 3.345 -2.448 23.905 1.00 0.00 H ATOM 1982 HG SER B 26 5.434 -3.448 23.914 1.00 0.00 H ATOM 1983 H SER B 26 1.865 -2.461 25.525 1.00 0.00 H ATOM 1984 N TYR B 27 4.689 0.876 25.490 1.00 16.99 N ATOM 1985 CA TYR B 27 4.806 2.286 25.203 1.00 16.27 C ATOM 1986 C TYR B 27 6.241 2.589 24.814 1.00 15.74 C ATOM 1987 O TYR B 27 7.079 1.701 24.785 1.00 16.45 O ATOM 1988 CB TYR B 27 4.479 3.141 26.436 1.00 16.89 C ATOM 1989 CG TYR B 27 3.088 2.986 26.970 1.00 18.56 C ATOM 1990 CD1 TYR B 27 2.819 2.084 27.982 1.00 17.72 C ATOM 1991 CD2 TYR B 27 2.027 3.726 26.443 1.00 18.50 C ATOM 1992 CE1 TYR B 27 1.545 1.914 28.453 1.00 18.44 C ATOM 1993 CE2 TYR B 27 0.746 3.564 26.915 1.00 17.11 C ATOM 1994 CZ TYR B 27 0.502 2.649 27.920 1.00 18.27 C ATOM 1995 OH TYR B 27 -0.791 2.436 28.375 1.00 18.25 O ATOM 1996 HA TYR B 27 4.106 2.523 24.402 1.00 0.00 H ATOM 1997 HB3 TYR B 27 4.623 4.188 26.168 1.00 0.00 H ATOM 1998 HB2 TYR B 27 5.177 2.871 27.229 1.00 0.00 H ATOM 1999 HD2 TYR B 27 2.218 4.443 25.645 1.00 0.00 H ATOM 2000 HE2 TYR B 27 -0.071 4.153 26.499 1.00 0.00 H ATOM 2001 HE1 TYR B 27 1.352 1.197 29.251 1.00 0.00 H ATOM 2002 HD1 TYR B 27 3.633 1.500 28.411 1.00 0.00 H ATOM 2003 HH TYR B 27 -0.779 1.752 29.091 1.00 0.00 H ATOM 2004 H TYR B 27 5.539 0.367 25.807 1.00 0.00 H ATOM 2005 N ILE B 28 6.486 3.866 24.503 1.00 15.54 N ATOM 2006 CA ILE B 28 7.804 4.416 24.214 1.00 14.25 C ATOM 2007 C ILE B 28 8.009 5.382 25.377 1.00 15.44 C ATOM 2008 O ILE B 28 7.114 6.174 25.686 1.00 14.75 O ATOM 2009 CB ILE B 28 7.862 5.260 22.925 1.00 12.81 C ATOM 2010 CG1 ILE B 28 8.073 4.351 21.715 1.00 14.33 C ATOM 2011 CG2 ILE B 28 8.989 6.300 23.024 1.00 10.93 C ATOM 2012 CD1 ILE B 28 9.390 3.584 21.737 1.00 15.53 C ATOM 2013 HA ILE B 28 8.534 3.616 24.090 1.00 0.00 H ATOM 2014 HB ILE B 28 6.916 5.788 22.802 1.00 0.00 H ATOM 2015 HG12 ILE B 28 7.257 3.630 21.682 1.00 0.00 H ATOM 2016 HG13 ILE B 28 8.050 4.966 20.816 1.00 0.00 H ATOM 2017 HD11 ILE B 28 10.220 4.290 21.758 1.00 0.00 H ATOM 2018 HD12 ILE B 28 9.426 2.952 22.625 1.00 0.00 H ATOM 2019 HD13 ILE B 28 9.462 2.963 20.844 1.00 0.00 H ATOM 2020 HG21 ILE B 28 8.802 6.957 23.874 1.00 0.00 H ATOM 2021 HG22 ILE B 28 9.942 5.789 23.161 1.00 0.00 H ATOM 2022 HG23 ILE B 28 9.019 6.889 22.108 1.00 0.00 H ATOM 2023 H ILE B 28 5.675 4.516 24.464 1.00 0.00 H ATOM 2024 N LEU B 29 9.148 5.284 26.057 1.00 16.30 N ATOM 2025 CA LEU B 29 9.443 6.209 27.141 1.00 18.44 C ATOM 2026 C LEU B 29 10.551 6.987 26.479 1.00 20.19 C ATOM 2027 O LEU B 29 11.517 6.399 26.012 1.00 22.08 O ATOM 2028 CB LEU B 29 9.951 5.478 28.387 1.00 19.88 C ATOM 2029 CG LEU B 29 10.213 6.345 29.628 1.00 22.04 C ATOM 2030 CD1 LEU B 29 8.953 7.116 30.024 1.00 22.31 C ATOM 2031 CD2 LEU B 29 10.645 5.454 30.777 1.00 23.81 C ATOM 2032 HA LEU B 29 8.597 6.793 27.504 1.00 0.00 H ATOM 2033 HB2 LEU B 29 9.208 4.727 28.657 1.00 0.00 H ATOM 2034 HB3 LEU B 29 10.886 4.984 28.124 1.00 0.00 H ATOM 2035 HG LEU B 29 11.000 7.063 29.397 1.00 0.00 H ATOM 2036 HD21 LEU B 29 9.856 4.734 30.993 1.00 0.00 H ATOM 2037 HD22 LEU B 29 11.557 4.924 30.501 1.00 0.00 H ATOM 2038 HD23 LEU B 29 10.832 6.066 31.659 1.00 0.00 H ATOM 2039 HD11 LEU B 29 8.650 7.762 29.200 1.00 0.00 H ATOM 2040 HD12 LEU B 29 8.153 6.411 30.248 1.00 0.00 H ATOM 2041 HD13 LEU B 29 9.162 7.723 30.905 1.00 0.00 H ATOM 2042 H LEU B 29 9.833 4.541 25.812 1.00 0.00 H ATOM 2043 N ARG B 30 10.393 8.304 26.397 1.00 21.98 N ATOM 2044 CA ARG B 30 11.365 9.167 25.737 1.00 22.49 C ATOM 2045 C ARG B 30 12.069 10.084 26.707 1.00 23.16 C ATOM 2046 O ARG B 30 11.412 10.763 27.478 1.00 23.10 O ATOM 2047 CB ARG B 30 10.640 9.984 24.704 1.00 24.23 C ATOM 2048 CG ARG B 30 11.411 11.138 24.182 1.00 29.28 C ATOM 2049 CD ARG B 30 10.553 11.926 23.219 1.00 31.96 C ATOM 2050 NE ARG B 30 10.206 11.124 22.061 1.00 37.32 N ATOM 2051 CZ ARG B 30 9.242 11.443 21.206 1.00 39.66 C ATOM 2052 NH1 ARG B 30 8.534 12.557 21.399 1.00 40.07 N ATOM 2053 NH2 ARG B 30 8.995 10.657 20.160 1.00 39.12 N ATOM 2054 HA ARG B 30 12.130 8.540 25.279 1.00 0.00 H ATOM 2055 HB2 ARG B 30 10.393 9.332 23.866 1.00 0.00 H ATOM 2056 HB3 ARG B 30 9.721 10.362 25.152 1.00 0.00 H ATOM 2057 HG2 ARG B 30 11.710 11.780 25.011 1.00 0.00 H ATOM 2058 HG3 ARG B 30 12.300 10.777 23.665 1.00 0.00 H ATOM 2059 HD2 ARG B 30 11.102 12.809 22.891 1.00 0.00 H ATOM 2060 HD3 ARG B 30 9.639 12.236 23.726 1.00 0.00 H ATOM 2061 HE ARG B 30 10.743 10.250 21.891 1.00 0.00 H ATOM 2062 HH12 ARG B 30 7.777 12.814 20.734 1.00 0.00 H ATOM 2063 HH11 ARG B 30 8.739 13.169 22.215 1.00 0.00 H ATOM 2064 HH22 ARG B 30 8.240 10.906 19.489 1.00 0.00 H ATOM 2065 HH21 ARG B 30 9.557 9.794 20.014 1.00 0.00 H ATOM 2066 H ARG B 30 9.545 8.734 26.819 1.00 0.00 H ATOM 2067 N VAL B 31 13.401 10.091 26.665 1.00 24.05 N ATOM 2068 CA VAL B 31 14.239 10.921 27.538 1.00 25.89 C ATOM 2069 C VAL B 31 14.668 12.174 26.759 1.00 27.08 C ATOM 2070 O VAL B 31 15.593 12.147 25.940 1.00 29.02 O ATOM 2071 CB VAL B 31 15.540 10.140 28.041 1.00 25.82 C ATOM 2072 CG1 VAL B 31 16.487 11.095 28.795 1.00 24.98 C ATOM 2073 CG2 VAL B 31 15.154 8.982 28.960 1.00 23.54 C ATOM 2074 HA VAL B 31 13.655 11.188 28.419 1.00 0.00 H ATOM 2075 HB VAL B 31 16.051 9.744 27.164 1.00 0.00 H ATOM 2076 HG11 VAL B 31 16.793 11.902 28.129 1.00 0.00 H ATOM 2077 HG12 VAL B 31 15.968 11.512 29.658 1.00 0.00 H ATOM 2078 HG13 VAL B 31 17.366 10.544 29.129 1.00 0.00 H ATOM 2079 HG21 VAL B 31 14.619 9.370 29.827 1.00 0.00 H ATOM 2080 HG22 VAL B 31 14.513 8.287 28.417 1.00 0.00 H ATOM 2081 HG23 VAL B 31 16.055 8.465 29.290 1.00 0.00 H ATOM 2082 H VAL B 31 13.873 9.473 25.974 1.00 0.00 H ATOM 2083 N GLU B 32 13.997 13.280 27.035 1.00 27.99 N ATOM 2084 CA GLU B 32 14.278 14.518 26.342 1.00 27.77 C ATOM 2085 C GLU B 32 15.089 15.503 27.166 1.00 28.04 C ATOM 2086 O GLU B 32 15.397 15.278 28.346 1.00 25.71 O ATOM 2087 CB GLU B 32 12.971 15.186 25.956 1.00 29.09 C ATOM 2088 CG GLU B 32 11.987 14.332 25.212 1.00 29.16 C ATOM 2089 CD GLU B 32 10.730 15.121 24.922 1.00 32.01 C ATOM 2090 OE1 GLU B 32 9.715 14.902 25.608 1.00 33.69 O ATOM 2091 OE2 GLU B 32 10.760 15.991 24.026 1.00 33.09 O ATOM 2092 HA GLU B 32 14.872 14.253 25.468 1.00 0.00 H ATOM 2093 HB2 GLU B 32 12.489 15.529 26.872 1.00 0.00 H ATOM 2094 HB3 GLU B 32 13.208 16.045 25.328 1.00 0.00 H ATOM 2095 HG2 GLU B 32 12.432 14.004 24.273 1.00 0.00 H ATOM 2096 HG3 GLU B 32 11.735 13.461 25.817 1.00 0.00 H ATOM 2097 H GLU B 32 13.255 13.259 27.763 1.00 0.00 H ATOM 2098 N ALA B 33 15.386 16.626 26.525 1.00 28.18 N ATOM 2099 CA ALA B 33 16.150 17.694 27.144 1.00 29.19 C ATOM 2100 C ALA B 33 15.717 18.041 28.561 1.00 28.42 C ATOM 2101 O ALA B 33 16.537 18.069 29.475 1.00 29.28 O ATOM 2102 CB ALA B 33 16.080 18.943 26.279 1.00 28.64 C ATOM 2103 HA ALA B 33 17.171 17.320 27.220 1.00 0.00 H ATOM 2104 HB1 ALA B 33 16.494 18.725 25.295 1.00 0.00 H ATOM 2105 HB2 ALA B 33 15.041 19.254 26.176 1.00 0.00 H ATOM 2106 HB3 ALA B 33 16.655 19.741 26.748 1.00 0.00 H ATOM 2107 H ALA B 33 15.060 16.745 25.545 1.00 0.00 H ATOM 2108 N GLU B 34 14.430 18.287 28.747 1.00 28.68 N ATOM 2109 CA GLU B 34 13.934 18.708 30.050 1.00 28.63 C ATOM 2110 C GLU B 34 12.802 17.873 30.599 1.00 27.19 C ATOM 2111 O GLU B 34 12.151 18.268 31.540 1.00 28.55 O ATOM 2112 CB GLU B 34 13.485 20.176 29.964 1.00 30.46 C ATOM 2113 CG GLU B 34 14.607 21.146 29.506 1.00 35.72 C ATOM 2114 CD GLU B 34 14.136 22.586 29.250 1.00 38.38 C ATOM 2115 OE1 GLU B 34 13.189 22.789 28.445 1.00 40.09 O ATOM 2116 OE2 GLU B 34 14.725 23.515 29.846 1.00 39.19 O ATOM 2117 HA GLU B 34 14.763 18.575 30.744 1.00 0.00 H ATOM 2118 HB2 GLU B 34 12.661 20.243 29.254 1.00 0.00 H ATOM 2119 HB3 GLU B 34 13.140 20.489 30.950 1.00 0.00 H ATOM 2120 HG2 GLU B 34 15.374 21.170 30.280 1.00 0.00 H ATOM 2121 HG3 GLU B 34 15.037 20.758 28.582 1.00 0.00 H ATOM 2122 H GLU B 34 13.766 18.179 27.954 1.00 0.00 H ATOM 2123 N LYS B 35 12.553 16.708 30.034 1.00 26.47 N ATOM 2124 CA LYS B 35 11.450 15.924 30.563 1.00 24.05 C ATOM 2125 C LYS B 35 11.470 14.483 30.103 1.00 21.80 C ATOM 2126 O LYS B 35 12.328 14.047 29.328 1.00 20.75 O ATOM 2127 CB LYS B 35 10.115 16.585 30.156 1.00 24.57 C ATOM 2128 CG LYS B 35 9.945 16.700 28.646 1.00 25.47 C ATOM 2129 CD LYS B 35 8.745 17.540 28.264 1.00 26.76 C ATOM 2130 CE LYS B 35 8.373 17.432 26.749 1.00 26.93 C ATOM 2131 NZ LYS B 35 9.472 17.677 25.758 1.00 27.27 N ATOM 2132 HA LYS B 35 11.557 15.906 31.648 1.00 0.00 H ATOM 2133 HB2 LYS B 35 9.295 15.987 30.554 1.00 0.00 H ATOM 2134 HB3 LYS B 35 10.076 17.585 30.588 1.00 0.00 H ATOM 2135 HG2 LYS B 35 10.841 17.157 28.226 1.00 0.00 H ATOM 2136 HG3 LYS B 35 9.820 15.700 28.230 1.00 0.00 H ATOM 2137 HD2 LYS B 35 7.890 17.212 28.855 1.00 0.00 H ATOM 2138 HD3 LYS B 35 8.965 18.583 28.493 1.00 0.00 H ATOM 2139 HE2 LYS B 35 7.584 18.158 26.551 1.00 0.00 H ATOM 2140 HE3 LYS B 35 7.991 16.426 26.575 1.00 0.00 H ATOM 2141 HZ1 LYS B 35 9.845 18.639 25.887 1.00 0.00 H ATOM 2142 HZ2 LYS B 35 10.234 16.985 25.909 1.00 0.00 H ATOM 2143 HZ3 LYS B 35 9.096 17.576 24.794 1.00 0.00 H ATOM 2144 H LYS B 35 13.126 16.362 29.238 1.00 0.00 H ATOM 2145 N LEU B 36 10.500 13.754 30.617 1.00 19.73 N ATOM 2146 CA LEU B 36 10.284 12.366 30.286 1.00 19.43 C ATOM 2147 C LEU B 36 8.874 12.388 29.729 1.00 20.55 C ATOM 2148 O LEU B 36 7.966 12.960 30.357 1.00 20.01 O ATOM 2149 CB LEU B 36 10.280 11.478 31.531 1.00 19.35 C ATOM 2150 CG LEU B 36 11.497 10.767 32.099 1.00 19.57 C ATOM 2151 CD1 LEU B 36 10.990 9.872 33.211 1.00 18.33 C ATOM 2152 CD2 LEU B 36 12.214 9.919 31.032 1.00 20.89 C ATOM 2153 HA LEU B 36 11.055 11.977 29.621 1.00 0.00 H ATOM 2154 HB2 LEU B 36 9.910 12.110 32.338 1.00 0.00 H ATOM 2155 HB3 LEU B 36 9.554 10.692 31.325 1.00 0.00 H ATOM 2156 HG LEU B 36 12.223 11.496 32.459 1.00 0.00 H ATOM 2157 HD21 LEU B 36 11.527 9.166 30.646 1.00 0.00 H ATOM 2158 HD22 LEU B 36 12.543 10.564 30.218 1.00 0.00 H ATOM 2159 HD23 LEU B 36 13.078 9.428 31.480 1.00 0.00 H ATOM 2160 HD11 LEU B 36 10.503 10.481 33.972 1.00 0.00 H ATOM 2161 HD12 LEU B 36 10.275 9.157 32.803 1.00 0.00 H ATOM 2162 HD13 LEU B 36 11.829 9.336 33.655 1.00 0.00 H ATOM 2163 H LEU B 36 9.855 14.203 31.298 1.00 0.00 H ATOM 2164 N THR B 37 8.680 11.796 28.555 1.00 19.77 N ATOM 2165 CA THR B 37 7.348 11.742 27.982 1.00 20.83 C ATOM 2166 C THR B 37 7.056 10.294 27.630 1.00 20.08 C ATOM 2167 O THR B 37 7.951 9.554 27.246 1.00 21.55 O ATOM 2168 CB THR B 37 7.195 12.699 26.731 1.00 21.70 C ATOM 2169 OG1 THR B 37 6.131 12.244 25.866 1.00 22.91 O ATOM 2170 CG2 THR B 37 8.458 12.754 25.969 1.00 24.69 C ATOM 2171 HA THR B 37 6.620 12.103 28.708 1.00 0.00 H ATOM 2172 HB THR B 37 6.951 13.696 27.098 1.00 0.00 H ATOM 2173 HG1 THR B 37 6.053 12.856 25.091 1.00 0.00 H ATOM 2174 HG23 THR B 37 9.260 13.097 26.622 1.00 0.00 H ATOM 2175 HG21 THR B 37 8.696 11.760 25.591 1.00 0.00 H ATOM 2176 HG22 THR B 37 8.347 13.445 25.134 1.00 0.00 H ATOM 2177 H THR B 37 9.482 11.372 28.047 1.00 0.00 H ATOM 2178 N LEU B 38 5.807 9.892 27.821 1.00 19.67 N ATOM 2179 CA LEU B 38 5.354 8.535 27.541 1.00 19.38 C ATOM 2180 C LEU B 38 4.525 8.588 26.272 1.00 20.14 C ATOM 2181 O LEU B 38 3.574 9.371 26.193 1.00 20.40 O ATOM 2182 CB LEU B 38 4.476 8.024 28.671 1.00 17.60 C ATOM 2183 CG LEU B 38 4.195 6.544 28.569 1.00 18.42 C ATOM 2184 CD1 LEU B 38 5.470 5.808 28.956 1.00 20.14 C ATOM 2185 CD2 LEU B 38 3.046 6.139 29.494 1.00 19.23 C ATOM 2186 HA LEU B 38 6.212 7.871 27.437 1.00 0.00 H ATOM 2187 HB2 LEU B 38 4.978 8.219 29.618 1.00 0.00 H ATOM 2188 HB3 LEU B 38 3.528 8.561 28.646 1.00 0.00 H ATOM 2189 HG LEU B 38 3.896 6.289 27.552 1.00 0.00 H ATOM 2190 HD21 LEU B 38 3.311 6.375 30.525 1.00 0.00 H ATOM 2191 HD22 LEU B 38 2.146 6.686 29.214 1.00 0.00 H ATOM 2192 HD23 LEU B 38 2.866 5.068 29.400 1.00 0.00 H ATOM 2193 HD11 LEU B 38 6.273 6.092 28.275 1.00 0.00 H ATOM 2194 HD12 LEU B 38 5.746 6.074 29.976 1.00 0.00 H ATOM 2195 HD13 LEU B 38 5.301 4.733 28.893 1.00 0.00 H ATOM 2196 H LEU B 38 5.117 10.578 28.188 1.00 0.00 H ATOM 2197 N LEU B 39 4.874 7.765 25.284 1.00 20.13 N ATOM 2198 CA LEU B 39 4.145 7.776 24.028 1.00 19.83 C ATOM 2199 C LEU B 39 3.492 6.464 23.633 1.00 21.42 C ATOM 2200 O LEU B 39 3.856 5.383 24.092 1.00 22.26 O ATOM 2201 CB LEU B 39 5.054 8.240 22.901 1.00 19.35 C ATOM 2202 CG LEU B 39 5.690 9.629 23.088 1.00 18.10 C ATOM 2203 CD1 LEU B 39 7.166 9.473 23.451 1.00 15.02 C ATOM 2204 CD2 LEU B 39 5.521 10.450 21.792 1.00 16.96 C ATOM 2205 HA LEU B 39 3.323 8.472 24.196 1.00 0.00 H ATOM 2206 HB2 LEU B 39 5.860 7.513 22.799 1.00 0.00 H ATOM 2207 HB3 LEU B 39 4.467 8.261 21.983 1.00 0.00 H ATOM 2208 HG LEU B 39 5.193 10.159 23.900 1.00 0.00 H ATOM 2209 HD21 LEU B 39 6.013 9.932 20.969 1.00 0.00 H ATOM 2210 HD22 LEU B 39 4.460 10.562 21.570 1.00 0.00 H ATOM 2211 HD23 LEU B 39 5.972 11.434 21.925 1.00 0.00 H ATOM 2212 HD11 LEU B 39 7.253 8.907 24.378 1.00 0.00 H ATOM 2213 HD12 LEU B 39 7.682 8.943 22.650 1.00 0.00 H ATOM 2214 HD13 LEU B 39 7.613 10.459 23.583 1.00 0.00 H ATOM 2215 H LEU B 39 5.673 7.111 25.413 1.00 0.00 H ATOM 2216 N THR B 40 2.503 6.575 22.760 1.00 21.98 N ATOM 2217 CA THR B 40 1.783 5.424 22.274 1.00 20.78 C ATOM 2218 C THR B 40 1.504 5.628 20.767 1.00 20.44 C ATOM 2219 O THR B 40 1.742 6.691 20.202 1.00 19.29 O ATOM 2220 CB THR B 40 0.477 5.256 23.103 1.00 20.98 C ATOM 2221 OG1 THR B 40 -0.062 3.928 22.920 1.00 21.45 O ATOM 2222 CG2 THR B 40 -0.517 6.339 22.719 1.00 18.55 C ATOM 2223 HA THR B 40 2.363 4.508 22.391 1.00 0.00 H ATOM 2224 HB THR B 40 0.696 5.370 24.165 1.00 0.00 H ATOM 2225 HG1 THR B 40 -0.892 3.834 23.452 1.00 0.00 H ATOM 2226 HG23 THR B 40 -0.064 7.318 22.875 1.00 0.00 H ATOM 2227 HG21 THR B 40 -0.789 6.226 21.669 1.00 0.00 H ATOM 2228 HG22 THR B 40 -1.409 6.248 23.338 1.00 0.00 H ATOM 2229 H THR B 40 2.238 7.519 22.415 1.00 0.00 H ATOM 2230 N LEU B 41 1.017 4.600 20.102 1.00 20.51 N ATOM 2231 CA LEU B 41 0.762 4.744 18.687 1.00 21.01 C ATOM 2232 C LEU B 41 -0.561 5.446 18.396 1.00 21.69 C ATOM 2233 O LEU B 41 -1.554 5.192 19.044 1.00 21.70 O ATOM 2234 CB LEU B 41 0.814 3.367 18.018 1.00 18.59 C ATOM 2235 CG LEU B 41 2.170 2.680 17.716 1.00 19.34 C ATOM 2236 CD1 LEU B 41 1.853 1.458 16.831 1.00 17.08 C ATOM 2237 CD2 LEU B 41 3.167 3.592 16.967 1.00 14.40 C ATOM 2238 HA LEU B 41 1.541 5.383 18.270 1.00 0.00 H ATOM 2239 HB2 LEU B 41 0.258 2.687 18.663 1.00 0.00 H ATOM 2240 HB3 LEU B 41 0.296 3.465 17.064 1.00 0.00 H ATOM 2241 HG LEU B 41 2.646 2.417 18.661 1.00 0.00 H ATOM 2242 HD21 LEU B 41 2.734 3.896 16.014 1.00 0.00 H ATOM 2243 HD22 LEU B 41 3.374 4.475 17.571 1.00 0.00 H ATOM 2244 HD23 LEU B 41 4.094 3.046 16.789 1.00 0.00 H ATOM 2245 HD11 LEU B 41 1.186 0.785 17.369 1.00 0.00 H ATOM 2246 HD12 LEU B 41 1.371 1.792 15.912 1.00 0.00 H ATOM 2247 HD13 LEU B 41 2.779 0.937 16.589 1.00 0.00 H ATOM 2248 H LEU B 41 0.820 3.701 20.587 1.00 0.00 H ATOM 2249 N GLY B 42 -0.572 6.362 17.438 1.00 23.64 N ATOM 2250 CA GLY B 42 -1.828 7.001 17.116 1.00 26.02 C ATOM 2251 C GLY B 42 -2.622 5.938 16.367 1.00 28.67 C ATOM 2252 O GLY B 42 -2.107 5.338 15.423 1.00 28.10 O ATOM 2253 HA3 GLY B 42 -1.665 7.875 16.485 1.00 0.00 H ATOM 2254 HA2 GLY B 42 -2.350 7.303 18.024 1.00 0.00 H ATOM 2255 H GLY B 42 0.300 6.614 16.931 1.00 0.00 H ATOM 2256 N ALA B 43 -3.856 5.676 16.799 1.00 30.70 N ATOM 2257 CA ALA B 43 -4.720 4.672 16.149 1.00 31.69 C ATOM 2258 C ALA B 43 -4.646 4.938 14.670 1.00 31.02 C ATOM 2259 O ALA B 43 -4.304 4.072 13.893 1.00 33.68 O ATOM 2260 CB ALA B 43 -6.176 4.796 16.644 1.00 31.20 C ATOM 2261 HA ALA B 43 -4.387 3.662 16.388 1.00 0.00 H ATOM 2262 HB1 ALA B 43 -6.206 4.640 17.722 1.00 0.00 H ATOM 2263 HB2 ALA B 43 -6.555 5.791 16.409 1.00 0.00 H ATOM 2264 HB3 ALA B 43 -6.792 4.045 16.149 1.00 0.00 H ATOM 2265 H ALA B 43 -4.222 6.197 17.622 1.00 0.00 H ATOM 2266 N GLN B 44 -4.999 6.149 14.291 1.00 31.81 N ATOM 2267 CA GLN B 44 -4.912 6.587 12.912 1.00 32.53 C ATOM 2268 C GLN B 44 -3.657 7.440 13.030 1.00 31.21 C ATOM 2269 O GLN B 44 -3.475 8.118 14.054 1.00 32.66 O ATOM 2270 CB GLN B 44 -6.169 7.387 12.538 1.00 33.95 C ATOM 2271 CG GLN B 44 -7.414 6.511 12.794 1.00 41.27 C ATOM 2272 CD GLN B 44 -8.701 7.016 12.155 1.00 45.74 C ATOM 2273 OE1 GLN B 44 -9.075 6.612 11.033 1.00 46.67 O ATOM 2274 NE2 GLN B 44 -9.395 7.908 12.869 1.00 47.79 N ATOM 2275 HA GLN B 44 -4.859 5.820 12.139 1.00 0.00 H ATOM 2276 HB2 GLN B 44 -6.224 8.289 13.148 1.00 0.00 H ATOM 2277 HB3 GLN B 44 -6.127 7.664 11.485 1.00 0.00 H ATOM 2278 HG2 GLN B 44 -7.212 5.514 12.404 1.00 0.00 H ATOM 2279 HG3 GLN B 44 -7.571 6.453 13.871 1.00 0.00 H ATOM 2280 HE22 GLN B 44 -9.045 8.215 13.799 1.00 0.00 H ATOM 2281 HE21 GLN B 44 -10.285 8.295 12.495 1.00 0.00 H ATOM 2282 H GLN B 44 -5.353 6.815 15.007 1.00 0.00 H ATOM 2283 N SER B 45 -2.784 7.353 12.032 1.00 27.49 N ATOM 2284 CA SER B 45 -1.502 8.068 12.009 1.00 26.79 C ATOM 2285 C SER B 45 -0.427 7.005 12.118 1.00 25.35 C ATOM 2286 O SER B 45 0.551 6.994 11.369 1.00 25.01 O ATOM 2287 CB SER B 45 -1.315 9.043 13.195 1.00 27.03 C ATOM 2288 OG SER B 45 -0.982 8.375 14.421 1.00 25.04 O ATOM 2289 HA SER B 45 -1.456 8.663 11.097 1.00 0.00 H ATOM 2290 HB2 SER B 45 -2.243 9.596 13.341 1.00 0.00 H ATOM 2291 HB3 SER B 45 -0.514 9.740 12.950 1.00 0.00 H ATOM 2292 HG SER B 45 -1.707 7.745 14.660 1.00 0.00 H ATOM 2293 H SER B 45 -3.022 6.745 11.223 1.00 0.00 H ATOM 2294 N GLN B 46 -0.614 6.110 13.076 1.00 23.92 N ATOM 2295 CA GLN B 46 0.345 5.039 13.294 1.00 21.90 C ATOM 2296 C GLN B 46 1.741 5.566 13.663 1.00 19.86 C ATOM 2297 O GLN B 46 2.742 4.916 13.419 1.00 18.31 O ATOM 2298 CB GLN B 46 0.392 4.114 12.062 1.00 21.69 C ATOM 2299 CG GLN B 46 -0.918 3.351 11.817 1.00 21.30 C ATOM 2300 CD GLN B 46 -1.255 2.395 12.973 1.00 22.85 C ATOM 2301 OE1 GLN B 46 -0.617 1.335 13.140 1.00 20.28 O ATOM 2302 NE2 GLN B 46 -2.243 2.774 13.789 1.00 21.73 N ATOM 2303 HA GLN B 46 0.007 4.459 14.153 1.00 0.00 H ATOM 2304 HB2 GLN B 46 0.607 4.721 11.183 1.00 0.00 H ATOM 2305 HB3 GLN B 46 1.192 3.388 12.206 1.00 0.00 H ATOM 2306 HG2 GLN B 46 -1.729 4.071 11.708 1.00 0.00 H ATOM 2307 HG3 GLN B 46 -0.821 2.772 10.898 1.00 0.00 H ATOM 2308 HE22 GLN B 46 -2.749 3.665 13.614 1.00 0.00 H ATOM 2309 HE21 GLN B 46 -2.506 2.178 14.599 1.00 0.00 H ATOM 2310 H GLN B 46 -1.458 6.174 13.680 1.00 0.00 H ATOM 2311 N ILE B 47 1.800 6.773 14.213 1.00 19.97 N ATOM 2312 CA ILE B 47 3.068 7.279 14.706 1.00 20.43 C ATOM 2313 C ILE B 47 2.962 7.613 16.212 1.00 21.60 C ATOM 2314 O ILE B 47 1.878 7.610 16.822 1.00 17.65 O ATOM 2315 CB ILE B 47 3.649 8.526 13.896 1.00 20.19 C ATOM 2316 CG1 ILE B 47 3.180 9.860 14.472 1.00 18.03 C ATOM 2317 CG2 ILE B 47 3.343 8.367 12.420 1.00 19.17 C ATOM 2318 CD1 ILE B 47 1.703 10.120 14.346 1.00 20.74 C ATOM 2319 HA ILE B 47 3.786 6.474 14.548 1.00 0.00 H ATOM 2320 HB ILE B 47 4.733 8.541 14.007 1.00 0.00 H ATOM 2321 HG12 ILE B 47 3.439 9.882 15.531 1.00 0.00 H ATOM 2322 HG13 ILE B 47 3.710 10.658 13.953 1.00 0.00 H ATOM 2323 HD11 ILE B 47 1.423 10.117 13.292 1.00 0.00 H ATOM 2324 HD12 ILE B 47 1.152 9.340 14.871 1.00 0.00 H ATOM 2325 HD13 ILE B 47 1.468 11.090 14.783 1.00 0.00 H ATOM 2326 HG21 ILE B 47 3.804 7.451 12.051 1.00 0.00 H ATOM 2327 HG22 ILE B 47 2.264 8.315 12.278 1.00 0.00 H ATOM 2328 HG23 ILE B 47 3.742 9.221 11.873 1.00 0.00 H ATOM 2329 H ILE B 47 0.941 7.354 14.290 1.00 0.00 H ATOM 2330 N LEU B 48 4.123 7.851 16.805 1.00 23.77 N ATOM 2331 CA LEU B 48 4.219 8.169 18.209 1.00 26.32 C ATOM 2332 C LEU B 48 3.490 9.467 18.561 1.00 27.32 C ATOM 2333 O LEU B 48 3.685 10.504 17.910 1.00 28.33 O ATOM 2334 CB LEU B 48 5.706 8.259 18.584 1.00 27.01 C ATOM 2335 CG LEU B 48 6.315 7.078 19.348 1.00 26.11 C ATOM 2336 CD1 LEU B 48 5.415 5.892 19.247 1.00 25.20 C ATOM 2337 CD2 LEU B 48 7.702 6.779 18.831 1.00 25.27 C ATOM 2338 HA LEU B 48 3.731 7.380 18.782 1.00 0.00 H ATOM 2339 HB2 LEU B 48 6.270 8.376 17.659 1.00 0.00 H ATOM 2340 HB3 LEU B 48 5.834 9.149 19.201 1.00 0.00 H ATOM 2341 HG LEU B 48 6.410 7.336 20.403 1.00 0.00 H ATOM 2342 HD21 LEU B 48 7.647 6.528 17.772 1.00 0.00 H ATOM 2343 HD22 LEU B 48 8.335 7.656 18.966 1.00 0.00 H ATOM 2344 HD23 LEU B 48 8.121 5.938 19.384 1.00 0.00 H ATOM 2345 HD11 LEU B 48 4.444 6.137 19.676 1.00 0.00 H ATOM 2346 HD12 LEU B 48 5.292 5.619 18.199 1.00 0.00 H ATOM 2347 HD13 LEU B 48 5.854 5.057 19.792 1.00 0.00 H ATOM 2348 H LEU B 48 4.994 7.807 16.239 1.00 0.00 H ATOM 2349 N GLU B 49 2.640 9.407 19.585 1.00 27.84 N ATOM 2350 CA GLU B 49 1.900 10.594 20.037 1.00 27.27 C ATOM 2351 C GLU B 49 2.029 10.677 21.560 1.00 26.62 C ATOM 2352 O GLU B 49 1.778 9.705 22.261 1.00 26.57 O ATOM 2353 CB GLU B 49 0.433 10.500 19.592 1.00 27.47 C ATOM 2354 CG GLU B 49 0.320 10.097 18.116 1.00 28.91 C ATOM 2355 CD GLU B 49 -0.916 10.635 17.407 1.00 30.66 C ATOM 2356 OE1 GLU B 49 -2.042 10.389 17.904 1.00 30.53 O ATOM 2357 OE2 GLU B 49 -0.754 11.291 16.342 1.00 31.16 O ATOM 2358 HA GLU B 49 2.310 11.502 19.594 1.00 0.00 H ATOM 2359 HB2 GLU B 49 -0.076 9.755 20.203 1.00 0.00 H ATOM 2360 HB3 GLU B 49 -0.043 11.470 19.732 1.00 0.00 H ATOM 2361 HG2 GLU B 49 1.201 10.468 17.593 1.00 0.00 H ATOM 2362 HG3 GLU B 49 0.298 9.009 18.061 1.00 0.00 H ATOM 2363 H GLU B 49 2.497 8.501 20.075 1.00 0.00 H ATOM 2364 N PRO B 50 2.453 11.842 22.083 1.00 25.93 N ATOM 2365 CA PRO B 50 2.626 12.044 23.522 1.00 24.13 C ATOM 2366 C PRO B 50 1.399 11.659 24.317 1.00 23.94 C ATOM 2367 O PRO B 50 0.271 11.898 23.899 1.00 24.81 O ATOM 2368 CB PRO B 50 2.928 13.541 23.635 1.00 23.17 C ATOM 2369 CG PRO B 50 3.491 13.901 22.306 1.00 24.12 C ATOM 2370 CD PRO B 50 2.618 13.124 21.368 1.00 25.62 C ATOM 2371 HA PRO B 50 3.414 11.415 23.935 1.00 0.00 H ATOM 2372 HD3 PRO B 50 1.659 13.620 21.219 1.00 0.00 H ATOM 2373 HD2 PRO B 50 3.105 12.979 20.404 1.00 0.00 H ATOM 2374 HG3 PRO B 50 4.533 13.593 22.222 1.00 0.00 H ATOM 2375 HG2 PRO B 50 3.414 14.972 22.121 1.00 0.00 H ATOM 2376 HB2 PRO B 50 2.017 14.105 23.835 1.00 0.00 H ATOM 2377 HB3 PRO B 50 3.653 13.731 24.427 1.00 0.00 H ATOM 2378 N LEU B 51 1.626 11.039 25.464 1.00 23.86 N ATOM 2379 CA LEU B 51 0.537 10.648 26.336 1.00 24.13 C ATOM 2380 C LEU B 51 0.729 11.372 27.676 1.00 24.68 C ATOM 2381 O LEU B 51 -0.208 12.002 28.196 1.00 24.39 O ATOM 2382 CB LEU B 51 0.537 9.135 26.538 1.00 24.35 C ATOM 2383 CG LEU B 51 -0.840 8.479 26.643 1.00 24.85 C ATOM 2384 CD1 LEU B 51 -1.705 8.913 25.447 1.00 23.57 C ATOM 2385 CD2 LEU B 51 -0.677 6.959 26.669 1.00 22.48 C ATOM 2386 HA LEU B 51 -0.422 10.921 25.895 1.00 0.00 H ATOM 2387 HB2 LEU B 51 1.059 8.684 25.694 1.00 0.00 H ATOM 2388 HB3 LEU B 51 1.082 8.920 27.457 1.00 0.00 H ATOM 2389 HG LEU B 51 -1.334 8.793 27.563 1.00 0.00 H ATOM 2390 HD21 LEU B 51 -0.186 6.632 25.753 1.00 0.00 H ATOM 2391 HD22 LEU B 51 -0.071 6.675 27.529 1.00 0.00 H ATOM 2392 HD23 LEU B 51 -1.658 6.491 26.744 1.00 0.00 H ATOM 2393 HD11 LEU B 51 -1.816 9.997 25.455 1.00 0.00 H ATOM 2394 HD12 LEU B 51 -1.223 8.603 24.520 1.00 0.00 H ATOM 2395 HD13 LEU B 51 -2.687 8.445 25.522 1.00 0.00 H ATOM 2396 H LEU B 51 2.605 10.828 25.745 1.00 0.00 H ATOM 2397 N LEU B 52 1.945 11.305 28.219 1.00 23.60 N ATOM 2398 CA LEU B 52 2.227 11.953 29.493 1.00 24.52 C ATOM 2399 C LEU B 52 3.606 12.598 29.550 1.00 26.37 C ATOM 2400 O LEU B 52 4.556 12.106 28.944 1.00 25.85 O ATOM 2401 CB LEU B 52 2.101 10.945 30.634 1.00 22.10 C ATOM 2402 CG LEU B 52 0.721 10.444 30.964 1.00 19.51 C ATOM 2403 CD1 LEU B 52 0.903 9.217 31.762 1.00 20.48 C ATOM 2404 CD2 LEU B 52 -0.089 11.498 31.733 1.00 20.13 C ATOM 2405 HA LEU B 52 1.491 12.750 29.598 1.00 0.00 H ATOM 2406 HB2 LEU B 52 2.711 10.079 30.375 1.00 0.00 H ATOM 2407 HB3 LEU B 52 2.502 11.415 31.532 1.00 0.00 H ATOM 2408 HG LEU B 52 0.155 10.237 30.056 1.00 0.00 H ATOM 2409 HD21 LEU B 52 0.423 11.740 32.664 1.00 0.00 H ATOM 2410 HD22 LEU B 52 -0.183 12.397 31.124 1.00 0.00 H ATOM 2411 HD23 LEU B 52 -1.080 11.102 31.955 1.00 0.00 H ATOM 2412 HD11 LEU B 52 1.456 8.483 31.176 1.00 0.00 H ATOM 2413 HD12 LEU B 52 1.460 9.454 32.669 1.00 0.00 H ATOM 2414 HD13 LEU B 52 -0.073 8.811 32.029 1.00 0.00 H ATOM 2415 H LEU B 52 2.700 10.785 27.728 1.00 0.00 H ATOM 2416 N PHE B 53 3.695 13.698 30.298 1.00 28.91 N ATOM 2417 CA PHE B 53 4.941 14.445 30.466 1.00 30.90 C ATOM 2418 C PHE B 53 5.341 14.438 31.939 1.00 29.30 C ATOM 2419 O PHE B 53 4.481 14.380 32.823 1.00 29.99 O ATOM 2420 CB PHE B 53 4.768 15.924 30.017 1.00 34.94 C ATOM 2421 CG PHE B 53 4.493 16.101 28.540 1.00 40.40 C ATOM 2422 CD1 PHE B 53 3.189 16.011 28.031 1.00 42.95 C ATOM 2423 CD2 PHE B 53 5.545 16.348 27.639 1.00 42.49 C ATOM 2424 CE1 PHE B 53 2.936 16.165 26.632 1.00 44.30 C ATOM 2425 CE2 PHE B 53 5.310 16.504 26.242 1.00 43.75 C ATOM 2426 CZ PHE B 53 4.004 16.411 25.741 1.00 44.27 C ATOM 2427 HA PHE B 53 5.707 13.969 29.853 1.00 0.00 H ATOM 2428 HB2 PHE B 53 3.935 16.354 30.573 1.00 0.00 H ATOM 2429 HB3 PHE B 53 5.683 16.464 30.261 1.00 0.00 H ATOM 2430 HD2 PHE B 53 6.564 16.422 28.018 1.00 0.00 H ATOM 2431 HE2 PHE B 53 6.143 16.695 25.565 1.00 0.00 H ATOM 2432 HZ PHE B 53 3.815 16.527 24.674 1.00 0.00 H ATOM 2433 HE1 PHE B 53 1.917 16.092 26.252 1.00 0.00 H ATOM 2434 HD1 PHE B 53 2.358 15.821 28.710 1.00 0.00 H ATOM 2435 H PHE B 53 2.841 14.040 30.783 1.00 0.00 H ATOM 2436 N TRP B 54 6.648 14.480 32.191 1.00 27.28 N ATOM 2437 CA TRP B 54 7.187 14.554 33.545 1.00 23.79 C ATOM 2438 C TRP B 54 8.468 15.339 33.463 1.00 22.80 C ATOM 2439 O TRP B 54 9.507 14.815 33.118 1.00 21.70 O ATOM 2440 CB TRP B 54 7.536 13.196 34.136 1.00 22.49 C ATOM 2441 CG TRP B 54 6.389 12.264 34.374 1.00 21.47 C ATOM 2442 CD1 TRP B 54 5.567 12.232 35.452 1.00 19.67 C ATOM 2443 CD2 TRP B 54 5.945 11.215 33.495 1.00 21.82 C ATOM 2444 NE1 TRP B 54 4.645 11.241 35.311 1.00 18.93 N ATOM 2445 CE2 TRP B 54 4.847 10.599 34.116 1.00 20.29 C ATOM 2446 CE3 TRP B 54 6.370 10.745 32.233 1.00 21.95 C ATOM 2447 CZ2 TRP B 54 4.154 9.531 33.525 1.00 19.12 C ATOM 2448 CZ3 TRP B 54 5.681 9.689 31.647 1.00 21.01 C ATOM 2449 CH2 TRP B 54 4.581 9.095 32.299 1.00 19.85 C ATOM 2450 HA TRP B 54 6.425 15.005 34.181 1.00 0.00 H ATOM 2451 HB2 TRP B 54 8.229 12.704 33.453 1.00 0.00 H ATOM 2452 HB3 TRP B 54 8.030 13.366 35.092 1.00 0.00 H ATOM 2453 HE1 TRP B 54 3.903 11.007 36.001 1.00 0.00 H ATOM 2454 HD1 TRP B 54 5.635 12.903 36.308 1.00 0.00 H ATOM 2455 HZ2 TRP B 54 3.305 9.065 34.025 1.00 0.00 H ATOM 2456 HH2 TRP B 54 4.058 8.269 31.816 1.00 0.00 H ATOM 2457 HZ3 TRP B 54 5.995 9.316 30.672 1.00 0.00 H ATOM 2458 HE3 TRP B 54 7.222 11.201 31.728 1.00 0.00 H ATOM 2459 H TRP B 54 7.311 14.459 31.390 1.00 0.00 H ATOM 2460 N PRO B 55 8.397 16.633 33.749 1.00 24.23 N ATOM 2461 CA PRO B 55 9.590 17.483 33.721 1.00 23.47 C ATOM 2462 C PRO B 55 10.518 16.953 34.814 1.00 23.62 C ATOM 2463 O PRO B 55 10.062 16.427 35.814 1.00 21.68 O ATOM 2464 CB PRO B 55 9.036 18.857 34.064 1.00 21.40 C ATOM 2465 CG PRO B 55 7.687 18.819 33.507 1.00 23.53 C ATOM 2466 CD PRO B 55 7.172 17.446 33.867 1.00 24.00 C ATOM 2467 HA PRO B 55 10.148 17.506 32.785 1.00 0.00 H ATOM 2468 HD3 PRO B 55 6.774 17.423 34.882 1.00 0.00 H ATOM 2469 HD2 PRO B 55 6.404 17.113 33.169 1.00 0.00 H ATOM 2470 HG3 PRO B 55 7.712 18.951 32.425 1.00 0.00 H ATOM 2471 HG2 PRO B 55 7.063 19.594 33.952 1.00 0.00 H ATOM 2472 HB2 PRO B 55 9.010 19.011 35.143 1.00 0.00 H ATOM 2473 HB3 PRO B 55 9.629 19.645 33.600 1.00 0.00 H ATOM 2474 N TYR B 56 11.820 17.078 34.617 1.00 25.03 N ATOM 2475 CA TYR B 56 12.774 16.589 35.593 1.00 25.14 C ATOM 2476 C TYR B 56 12.617 17.258 36.930 1.00 27.10 C ATOM 2477 O TYR B 56 12.887 16.642 37.956 1.00 29.28 O ATOM 2478 CB TYR B 56 14.165 16.803 35.046 1.00 24.23 C ATOM 2479 CG TYR B 56 14.364 15.978 33.820 1.00 23.00 C ATOM 2480 CD1 TYR B 56 15.276 16.337 32.852 1.00 23.07 C ATOM 2481 CD2 TYR B 56 13.664 14.798 33.670 1.00 22.69 C ATOM 2482 CE1 TYR B 56 15.489 15.534 31.766 1.00 25.62 C ATOM 2483 CE2 TYR B 56 13.854 13.996 32.612 1.00 23.78 C ATOM 2484 CZ TYR B 56 14.766 14.348 31.658 1.00 25.43 C ATOM 2485 OH TYR B 56 14.959 13.488 30.603 1.00 27.51 O ATOM 2486 HA TYR B 56 12.592 15.528 35.761 1.00 0.00 H ATOM 2487 HB3 TYR B 56 14.898 16.513 35.799 1.00 0.00 H ATOM 2488 HB2 TYR B 56 14.298 17.856 34.798 1.00 0.00 H ATOM 2489 HD2 TYR B 56 12.938 14.511 34.431 1.00 0.00 H ATOM 2490 HE2 TYR B 56 13.285 13.071 32.514 1.00 0.00 H ATOM 2491 HE1 TYR B 56 16.211 15.816 30.999 1.00 0.00 H ATOM 2492 HD1 TYR B 56 15.832 17.269 32.953 1.00 0.00 H ATOM 2493 HH TYR B 56 14.106 13.370 30.114 1.00 0.00 H ATOM 2494 H TYR B 56 12.165 17.534 33.748 1.00 0.00 H ATOM 2495 N THR B 57 12.148 18.502 36.912 1.00 26.70 N ATOM 2496 CA THR B 57 11.951 19.293 38.126 1.00 26.66 C ATOM 2497 C THR B 57 10.809 18.813 39.018 1.00 27.19 C ATOM 2498 O THR B 57 10.676 19.285 40.162 1.00 28.17 O ATOM 2499 CB THR B 57 11.690 20.792 37.796 1.00 25.94 C ATOM 2500 OG1 THR B 57 10.553 20.891 36.941 1.00 24.12 O ATOM 2501 CG2 THR B 57 12.891 21.424 37.095 1.00 24.92 C ATOM 2502 HA THR B 57 12.885 19.165 38.673 1.00 0.00 H ATOM 2503 HB THR B 57 11.517 21.322 38.732 1.00 0.00 H ATOM 2504 HG1 THR B 57 10.383 21.843 36.728 1.00 0.00 H ATOM 2505 HG23 THR B 57 13.766 21.353 37.741 1.00 0.00 H ATOM 2506 HG21 THR B 57 13.084 20.896 36.161 1.00 0.00 H ATOM 2507 HG22 THR B 57 12.677 22.472 36.884 1.00 0.00 H ATOM 2508 H THR B 57 11.911 18.931 35.995 1.00 0.00 H ATOM 2509 N LEU B 58 9.991 17.891 38.507 1.00 26.10 N ATOM 2510 CA LEU B 58 8.857 17.364 39.275 1.00 26.24 C ATOM 2511 C LEU B 58 8.947 15.883 39.609 1.00 25.18 C ATOM 2512 O LEU B 58 7.994 15.278 40.107 1.00 25.50 O ATOM 2513 CB LEU B 58 7.525 17.660 38.571 1.00 26.70 C ATOM 2514 CG LEU B 58 7.291 19.179 38.379 1.00 29.94 C ATOM 2515 CD1 LEU B 58 5.890 19.424 37.766 1.00 27.21 C ATOM 2516 CD2 LEU B 58 7.454 19.919 39.746 1.00 27.80 C ATOM 2517 HA LEU B 58 8.902 17.891 40.228 1.00 0.00 H ATOM 2518 HB2 LEU B 58 7.530 17.179 37.593 1.00 0.00 H ATOM 2519 HB3 LEU B 58 6.712 17.252 39.171 1.00 0.00 H ATOM 2520 HG LEU B 58 8.034 19.579 37.689 1.00 0.00 H ATOM 2521 HD21 LEU B 58 6.726 19.529 40.458 1.00 0.00 H ATOM 2522 HD22 LEU B 58 8.461 19.755 40.128 1.00 0.00 H ATOM 2523 HD23 LEU B 58 7.288 20.987 39.602 1.00 0.00 H ATOM 2524 HD11 LEU B 58 5.826 18.925 36.799 1.00 0.00 H ATOM 2525 HD12 LEU B 58 5.127 19.024 38.434 1.00 0.00 H ATOM 2526 HD13 LEU B 58 5.734 20.495 37.635 1.00 0.00 H ATOM 2527 H LEU B 58 10.161 17.538 37.544 1.00 0.00 H ATOM 2528 N LEU B 59 10.085 15.283 39.307 1.00 23.40 N ATOM 2529 CA LEU B 59 10.265 13.905 39.686 1.00 22.43 C ATOM 2530 C LEU B 59 11.023 13.993 41.021 1.00 22.04 C ATOM 2531 O LEU B 59 11.980 14.772 41.154 1.00 18.95 O ATOM 2532 CB LEU B 59 11.081 13.138 38.649 1.00 20.29 C ATOM 2533 CG LEU B 59 10.350 12.951 37.320 1.00 19.71 C ATOM 2534 CD1 LEU B 59 11.274 12.294 36.282 1.00 18.22 C ATOM 2535 CD2 LEU B 59 9.099 12.126 37.566 1.00 17.49 C ATOM 2536 HA LEU B 59 9.319 13.369 39.764 1.00 0.00 H ATOM 2537 HB2 LEU B 59 12.005 13.686 38.462 1.00 0.00 H ATOM 2538 HB3 LEU B 59 11.319 12.155 39.054 1.00 0.00 H ATOM 2539 HG LEU B 59 10.058 13.919 36.913 1.00 0.00 H ATOM 2540 HD21 LEU B 59 9.380 11.156 37.975 1.00 0.00 H ATOM 2541 HD22 LEU B 59 8.455 12.647 38.274 1.00 0.00 H ATOM 2542 HD23 LEU B 59 8.567 11.985 36.625 1.00 0.00 H ATOM 2543 HD11 LEU B 59 12.146 12.928 36.120 1.00 0.00 H ATOM 2544 HD12 LEU B 59 11.596 11.319 36.649 1.00 0.00 H ATOM 2545 HD13 LEU B 59 10.734 12.170 35.343 1.00 0.00 H ATOM 2546 H LEU B 59 10.837 15.796 38.805 1.00 0.00 H ATOM 2547 N ARG B 60 10.550 13.220 42.002 1.00 22.67 N ATOM 2548 CA ARG B 60 11.160 13.146 43.334 1.00 23.86 C ATOM 2549 C ARG B 60 12.408 12.283 43.266 1.00 23.63 C ATOM 2550 O ARG B 60 13.471 12.668 43.724 1.00 23.58 O ATOM 2551 CB ARG B 60 10.185 12.533 44.345 1.00 24.46 C ATOM 2552 CG ARG B 60 8.981 13.391 44.640 1.00 25.70 C ATOM 2553 CD ARG B 60 7.885 12.589 45.314 1.00 28.75 C ATOM 2554 NE ARG B 60 6.715 13.427 45.540 1.00 32.97 N ATOM 2555 CZ ARG B 60 5.527 12.991 45.937 1.00 33.76 C ATOM 2556 NH1 ARG B 60 5.314 11.702 46.173 1.00 34.46 N ATOM 2557 NH2 ARG B 60 4.536 13.857 46.067 1.00 36.74 N ATOM 2558 HA ARG B 60 11.414 14.156 43.657 1.00 0.00 H ATOM 2559 HB2 ARG B 60 9.837 11.579 43.949 1.00 0.00 H ATOM 2560 HB3 ARG B 60 10.722 12.364 45.279 1.00 0.00 H ATOM 2561 HG2 ARG B 60 9.279 14.208 45.297 1.00 0.00 H ATOM 2562 HG3 ARG B 60 8.598 13.800 43.705 1.00 0.00 H ATOM 2563 HD2 ARG B 60 8.249 12.213 46.270 1.00 0.00 H ATOM 2564 HD3 ARG B 60 7.609 11.749 44.676 1.00 0.00 H ATOM 2565 HE ARG B 60 6.820 14.449 45.377 1.00 0.00 H ATOM 2566 HH12 ARG B 60 4.376 11.378 46.484 1.00 0.00 H ATOM 2567 HH11 ARG B 60 6.085 11.016 46.047 1.00 0.00 H ATOM 2568 HH22 ARG B 60 3.598 13.531 46.377 1.00 0.00 H ATOM 2569 HH21 ARG B 60 4.694 14.864 45.859 1.00 0.00 H ATOM 2570 H ARG B 60 9.707 12.641 41.812 1.00 0.00 H ATOM 2571 N ARG B 61 12.279 11.109 42.684 1.00 23.57 N ATOM 2572 CA ARG B 61 13.425 10.240 42.591 1.00 24.76 C ATOM 2573 C ARG B 61 13.202 9.252 41.435 1.00 24.79 C ATOM 2574 O ARG B 61 12.083 9.142 40.923 1.00 23.85 O ATOM 2575 CB ARG B 61 13.603 9.516 43.937 1.00 24.19 C ATOM 2576 CG ARG B 61 12.295 9.018 44.544 1.00 26.32 C ATOM 2577 CD ARG B 61 12.487 8.158 45.825 1.00 26.27 C ATOM 2578 NE ARG B 61 12.863 8.884 47.043 1.00 25.46 N ATOM 2579 CZ ARG B 61 12.090 9.776 47.668 1.00 26.10 C ATOM 2580 NH1 ARG B 61 10.887 10.086 47.211 1.00 27.88 N ATOM 2581 NH2 ARG B 61 12.508 10.357 48.774 1.00 26.60 N ATOM 2582 HA ARG B 61 14.335 10.803 42.384 1.00 0.00 H ATOM 2583 HB2 ARG B 61 14.259 8.659 43.783 1.00 0.00 H ATOM 2584 HB3 ARG B 61 14.068 10.207 44.641 1.00 0.00 H ATOM 2585 HG2 ARG B 61 11.682 9.883 44.799 1.00 0.00 H ATOM 2586 HG3 ARG B 61 11.777 8.414 43.799 1.00 0.00 H ATOM 2587 HD2 ARG B 61 13.268 7.425 45.620 1.00 0.00 H ATOM 2588 HD3 ARG B 61 11.548 7.641 46.022 1.00 0.00 H ATOM 2589 HE ARG B 61 13.800 8.690 47.450 1.00 0.00 H ATOM 2590 HH12 ARG B 61 10.303 10.784 47.715 1.00 0.00 H ATOM 2591 HH11 ARG B 61 10.526 9.632 46.348 1.00 0.00 H ATOM 2592 HH22 ARG B 61 11.903 11.051 49.257 1.00 0.00 H ATOM 2593 HH21 ARG B 61 13.443 10.122 49.164 1.00 0.00 H ATOM 2594 H ARG B 61 11.361 10.812 42.296 1.00 0.00 H ATOM 2595 N TYR B 62 14.268 8.586 40.995 1.00 23.04 N ATOM 2596 CA TYR B 62 14.143 7.579 39.954 1.00 23.04 C ATOM 2597 C TYR B 62 15.203 6.498 40.177 1.00 22.99 C ATOM 2598 O TYR B 62 16.233 6.749 40.803 1.00 22.36 O ATOM 2599 CB TYR B 62 14.264 8.210 38.566 1.00 24.06 C ATOM 2600 CG TYR B 62 15.496 9.047 38.353 1.00 22.74 C ATOM 2601 CD1 TYR B 62 16.616 8.512 37.735 1.00 20.72 C ATOM 2602 CD2 TYR B 62 15.527 10.390 38.755 1.00 23.35 C ATOM 2603 CE1 TYR B 62 17.733 9.284 37.511 1.00 22.47 C ATOM 2604 CE2 TYR B 62 16.650 11.183 38.543 1.00 22.69 C ATOM 2605 CZ TYR B 62 17.754 10.619 37.920 1.00 24.27 C ATOM 2606 OH TYR B 62 18.892 11.369 37.739 1.00 25.72 O ATOM 2607 HA TYR B 62 13.156 7.120 40.007 1.00 0.00 H ATOM 2608 HB3 TYR B 62 13.392 8.844 38.405 1.00 0.00 H ATOM 2609 HB2 TYR B 62 14.269 7.407 37.829 1.00 0.00 H ATOM 2610 HD2 TYR B 62 14.653 10.821 39.244 1.00 0.00 H ATOM 2611 HE2 TYR B 62 16.662 12.226 38.860 1.00 0.00 H ATOM 2612 HE1 TYR B 62 18.602 8.853 37.014 1.00 0.00 H ATOM 2613 HD1 TYR B 62 16.612 7.468 37.423 1.00 0.00 H ATOM 2614 HH TYR B 62 19.578 10.820 37.283 1.00 0.00 H ATOM 2615 H TYR B 62 15.203 8.789 41.402 1.00 0.00 H ATOM 2616 N GLY B 63 14.921 5.285 39.711 1.00 22.23 N ATOM 2617 CA GLY B 63 15.864 4.200 39.890 1.00 22.27 C ATOM 2618 C GLY B 63 15.750 3.136 38.823 1.00 22.15 C ATOM 2619 O GLY B 63 14.844 3.182 37.992 1.00 22.47 O ATOM 2620 HA3 GLY B 63 15.683 3.739 40.861 1.00 0.00 H ATOM 2621 HA2 GLY B 63 16.874 4.610 39.866 1.00 0.00 H ATOM 2622 H GLY B 63 14.022 5.115 39.217 1.00 0.00 H ATOM 2623 N ARG B 64 16.651 2.163 38.846 1.00 22.51 N ATOM 2624 CA ARG B 64 16.629 1.109 37.834 1.00 23.93 C ATOM 2625 C ARG B 64 17.476 -0.129 38.134 1.00 24.43 C ATOM 2626 O ARG B 64 18.485 -0.051 38.827 1.00 25.08 O ATOM 2627 CB ARG B 64 17.148 1.672 36.506 1.00 22.94 C ATOM 2628 CG ARG B 64 18.682 1.781 36.437 1.00 21.74 C ATOM 2629 CD ARG B 64 19.280 2.565 37.616 1.00 22.87 C ATOM 2630 NE ARG B 64 20.740 2.644 37.518 1.00 22.76 N ATOM 2631 CZ ARG B 64 21.550 3.159 38.436 1.00 20.33 C ATOM 2632 NH1 ARG B 64 21.075 3.658 39.552 1.00 21.53 N ATOM 2633 NH2 ARG B 64 22.849 3.160 38.234 1.00 21.65 N ATOM 2634 HA ARG B 64 15.588 0.788 37.808 1.00 0.00 H ATOM 2635 HB2 ARG B 64 16.813 1.019 35.700 1.00 0.00 H ATOM 2636 HB3 ARG B 64 16.725 2.667 36.365 1.00 0.00 H ATOM 2637 HG2 ARG B 64 19.103 0.775 36.439 1.00 0.00 H ATOM 2638 HG3 ARG B 64 18.954 2.286 35.510 1.00 0.00 H ATOM 2639 HD2 ARG B 64 19.013 2.065 38.547 1.00 0.00 H ATOM 2640 HD3 ARG B 64 18.869 3.574 37.616 1.00 0.00 H ATOM 2641 HE ARG B 64 21.180 2.264 36.655 1.00 0.00 H ATOM 2642 HH12 ARG B 64 21.723 4.057 40.260 1.00 0.00 H ATOM 2643 HH11 ARG B 64 20.050 3.654 39.729 1.00 0.00 H ATOM 2644 HH22 ARG B 64 23.486 3.562 38.951 1.00 0.00 H ATOM 2645 HH21 ARG B 64 23.239 2.758 37.358 1.00 0.00 H ATOM 2646 H ARG B 64 17.378 2.150 39.589 1.00 0.00 H ATOM 2647 N ASP B 65 17.052 -1.265 37.593 1.00 24.21 N ATOM 2648 CA ASP B 65 17.825 -2.493 37.676 1.00 24.70 C ATOM 2649 C ASP B 65 17.722 -3.224 36.329 1.00 24.12 C ATOM 2650 O ASP B 65 17.164 -2.723 35.365 1.00 24.12 O ATOM 2651 CB ASP B 65 17.405 -3.408 38.851 1.00 26.05 C ATOM 2652 CG ASP B 65 15.914 -3.663 38.932 1.00 26.64 C ATOM 2653 OD1 ASP B 65 15.208 -3.618 37.917 1.00 28.00 O ATOM 2654 OD2 ASP B 65 15.438 -3.941 40.047 1.00 26.54 O ATOM 2655 HA ASP B 65 18.862 -2.228 37.884 1.00 0.00 H ATOM 2656 HB2 ASP B 65 17.911 -4.367 38.737 1.00 0.00 H ATOM 2657 HB3 ASP B 65 17.724 -2.939 39.782 1.00 0.00 H ATOM 2658 H ASP B 65 16.139 -1.276 37.095 1.00 0.00 H ATOM 2659 N LYS B 66 18.256 -4.421 36.256 1.00 24.27 N ATOM 2660 CA LYS B 66 18.245 -5.154 35.011 1.00 23.55 C ATOM 2661 C LYS B 66 16.858 -5.613 34.556 1.00 22.58 C ATOM 2662 O LYS B 66 16.715 -6.249 33.519 1.00 24.03 O ATOM 2663 CB LYS B 66 19.207 -6.334 35.173 1.00 25.42 C ATOM 2664 CG LYS B 66 20.607 -5.872 35.674 1.00 32.52 C ATOM 2665 CD LYS B 66 21.768 -6.909 35.546 1.00 37.16 C ATOM 2666 CE LYS B 66 23.190 -6.287 35.796 1.00 39.05 C ATOM 2667 NZ LYS B 66 23.618 -6.079 37.250 1.00 39.90 N ATOM 2668 HA LYS B 66 18.567 -4.484 34.214 1.00 0.00 H ATOM 2669 HB2 LYS B 66 18.787 -7.036 35.894 1.00 0.00 H ATOM 2670 HB3 LYS B 66 19.323 -6.831 34.210 1.00 0.00 H ATOM 2671 HG2 LYS B 66 20.888 -4.987 35.103 1.00 0.00 H ATOM 2672 HG3 LYS B 66 20.512 -5.608 36.727 1.00 0.00 H ATOM 2673 HD2 LYS B 66 21.605 -7.703 36.275 1.00 0.00 H ATOM 2674 HD3 LYS B 66 21.746 -7.330 34.541 1.00 0.00 H ATOM 2675 HE2 LYS B 66 23.213 -5.314 35.305 1.00 0.00 H ATOM 2676 HE3 LYS B 66 23.923 -6.946 35.330 1.00 0.00 H ATOM 2677 HZ1 LYS B 66 22.948 -5.437 37.719 1.00 0.00 H ATOM 2678 HZ2 LYS B 66 23.625 -6.995 37.742 1.00 0.00 H ATOM 2679 HZ3 LYS B 66 24.571 -5.664 37.273 1.00 0.00 H ATOM 2680 H LYS B 66 18.690 -4.845 37.101 1.00 0.00 H ATOM 2681 N VAL B 67 15.831 -5.274 35.317 1.00 20.81 N ATOM 2682 CA VAL B 67 14.485 -5.706 35.006 1.00 18.89 C ATOM 2683 C VAL B 67 13.510 -4.551 34.808 1.00 18.53 C ATOM 2684 O VAL B 67 12.454 -4.724 34.201 1.00 18.99 O ATOM 2685 CB VAL B 67 13.983 -6.665 36.126 1.00 20.03 C ATOM 2686 CG1 VAL B 67 12.505 -6.492 36.380 1.00 17.53 C ATOM 2687 CG2 VAL B 67 14.291 -8.116 35.731 1.00 19.98 C ATOM 2688 HA VAL B 67 14.523 -6.229 34.051 1.00 0.00 H ATOM 2689 HB VAL B 67 14.505 -6.419 37.051 1.00 0.00 H ATOM 2690 HG11 VAL B 67 12.309 -5.466 36.690 1.00 0.00 H ATOM 2691 HG12 VAL B 67 11.953 -6.709 35.466 1.00 0.00 H ATOM 2692 HG13 VAL B 67 12.190 -7.177 37.167 1.00 0.00 H ATOM 2693 HG21 VAL B 67 13.784 -8.352 34.795 1.00 0.00 H ATOM 2694 HG22 VAL B 67 15.367 -8.236 35.604 1.00 0.00 H ATOM 2695 HG23 VAL B 67 13.940 -8.787 36.515 1.00 0.00 H ATOM 2696 H VAL B 67 15.994 -4.684 36.158 1.00 0.00 H ATOM 2697 N MET B 68 13.858 -3.368 35.300 1.00 17.40 N ATOM 2698 CA MET B 68 12.972 -2.224 35.163 1.00 17.55 C ATOM 2699 C MET B 68 13.562 -0.818 35.353 1.00 17.18 C ATOM 2700 O MET B 68 14.748 -0.615 35.684 1.00 16.76 O ATOM 2701 CB MET B 68 11.771 -2.402 36.103 1.00 19.20 C ATOM 2702 CG MET B 68 12.117 -2.856 37.521 1.00 22.49 C ATOM 2703 SD MET B 68 12.131 -1.518 38.762 1.00 30.12 S ATOM 2704 CE MET B 68 13.652 -0.664 38.384 1.00 26.55 C ATOM 2705 HA MET B 68 12.703 -2.239 34.107 1.00 0.00 H ATOM 2706 HB2 MET B 68 11.252 -1.446 36.172 1.00 0.00 H ATOM 2707 HB3 MET B 68 11.105 -3.145 35.664 1.00 0.00 H ATOM 2708 HG2 MET B 68 13.107 -3.312 37.501 1.00 0.00 H ATOM 2709 HG3 MET B 68 11.382 -3.599 37.830 1.00 0.00 H ATOM 2710 HE1 MET B 68 14.490 -1.352 38.492 1.00 0.00 H ATOM 2711 HE2 MET B 68 13.614 -0.293 37.360 1.00 0.00 H ATOM 2712 HE3 MET B 68 13.777 0.173 39.070 1.00 0.00 H ATOM 2713 H MET B 68 14.771 -3.259 35.787 1.00 0.00 H ATOM 2714 N PHE B 69 12.709 0.158 35.083 1.00 15.77 N ATOM 2715 CA PHE B 69 13.042 1.562 35.272 1.00 15.44 C ATOM 2716 C PHE B 69 11.790 2.130 35.935 1.00 17.40 C ATOM 2717 O PHE B 69 10.670 1.902 35.471 1.00 18.19 O ATOM 2718 CB PHE B 69 13.271 2.303 33.943 1.00 13.58 C ATOM 2719 CG PHE B 69 13.629 3.743 34.125 1.00 12.67 C ATOM 2720 CD1 PHE B 69 14.912 4.111 34.469 1.00 11.79 C ATOM 2721 CD2 PHE B 69 12.641 4.730 34.083 1.00 13.99 C ATOM 2722 CE1 PHE B 69 15.209 5.452 34.785 1.00 14.82 C ATOM 2723 CE2 PHE B 69 12.925 6.078 34.399 1.00 13.96 C ATOM 2724 CZ PHE B 69 14.208 6.437 34.752 1.00 13.15 C ATOM 2725 HA PHE B 69 13.963 1.676 35.844 1.00 0.00 H ATOM 2726 HB2 PHE B 69 14.081 1.810 33.406 1.00 0.00 H ATOM 2727 HB3 PHE B 69 12.357 2.245 33.352 1.00 0.00 H ATOM 2728 HD2 PHE B 69 11.626 4.453 33.799 1.00 0.00 H ATOM 2729 HE2 PHE B 69 12.135 6.828 34.364 1.00 0.00 H ATOM 2730 HZ PHE B 69 14.443 7.472 35.002 1.00 0.00 H ATOM 2731 HE1 PHE B 69 16.227 5.728 35.058 1.00 0.00 H ATOM 2732 HD1 PHE B 69 15.702 3.360 34.497 1.00 0.00 H ATOM 2733 H PHE B 69 11.765 -0.088 34.722 1.00 0.00 H ATOM 2734 N SER B 70 11.962 2.838 37.034 1.00 17.44 N ATOM 2735 CA SER B 70 10.816 3.443 37.662 1.00 19.68 C ATOM 2736 C SER B 70 11.133 4.846 38.165 1.00 19.47 C ATOM 2737 O SER B 70 12.286 5.246 38.282 1.00 21.14 O ATOM 2738 CB SER B 70 10.293 2.566 38.806 1.00 21.11 C ATOM 2739 OG SER B 70 11.209 2.522 39.867 1.00 23.37 O ATOM 2740 HA SER B 70 10.034 3.527 36.907 1.00 0.00 H ATOM 2741 HB2 SER B 70 10.130 1.555 38.434 1.00 0.00 H ATOM 2742 HB3 SER B 70 9.349 2.976 39.166 1.00 0.00 H ATOM 2743 HG SER B 70 10.847 1.951 40.590 1.00 0.00 H ATOM 2744 H SER B 70 12.911 2.958 37.441 1.00 0.00 H ATOM 2745 N PHE B 71 10.096 5.605 38.436 1.00 18.26 N ATOM 2746 CA PHE B 71 10.316 6.921 38.931 1.00 19.07 C ATOM 2747 C PHE B 71 9.115 7.320 39.787 1.00 19.50 C ATOM 2748 O PHE B 71 8.041 6.710 39.715 1.00 20.53 O ATOM 2749 CB PHE B 71 10.603 7.887 37.751 1.00 19.74 C ATOM 2750 CG PHE B 71 9.482 7.997 36.742 1.00 21.17 C ATOM 2751 CD1 PHE B 71 8.420 8.871 36.960 1.00 21.76 C ATOM 2752 CD2 PHE B 71 9.497 7.233 35.574 1.00 21.16 C ATOM 2753 CE1 PHE B 71 7.396 8.987 36.038 1.00 23.77 C ATOM 2754 CE2 PHE B 71 8.481 7.333 34.632 1.00 22.38 C ATOM 2755 CZ PHE B 71 7.420 8.211 34.855 1.00 24.01 C ATOM 2756 HA PHE B 71 11.198 6.969 39.570 1.00 0.00 H ATOM 2757 HB2 PHE B 71 10.790 8.879 38.161 1.00 0.00 H ATOM 2758 HB3 PHE B 71 11.495 7.535 37.232 1.00 0.00 H ATOM 2759 HD2 PHE B 71 10.323 6.544 35.397 1.00 0.00 H ATOM 2760 HE2 PHE B 71 8.513 6.730 33.725 1.00 0.00 H ATOM 2761 HZ PHE B 71 6.616 8.298 34.124 1.00 0.00 H ATOM 2762 HE1 PHE B 71 6.571 9.675 36.222 1.00 0.00 H ATOM 2763 HD1 PHE B 71 8.396 9.472 37.869 1.00 0.00 H ATOM 2764 H PHE B 71 9.129 5.250 38.291 1.00 0.00 H ATOM 2765 N GLU B 72 9.315 8.292 40.658 1.00 19.78 N ATOM 2766 CA GLU B 72 8.232 8.736 41.515 1.00 21.54 C ATOM 2767 C GLU B 72 7.924 10.187 41.146 1.00 22.79 C ATOM 2768 O GLU B 72 8.709 11.104 41.414 1.00 23.36 O ATOM 2769 CB GLU B 72 8.627 8.608 42.991 1.00 19.72 C ATOM 2770 CG GLU B 72 7.544 9.078 43.938 1.00 20.89 C ATOM 2771 CD GLU B 72 8.008 9.165 45.394 1.00 21.25 C ATOM 2772 OE1 GLU B 72 9.226 9.118 45.666 1.00 20.25 O ATOM 2773 OE2 GLU B 72 7.144 9.299 46.271 1.00 20.44 O ATOM 2774 HA GLU B 72 7.346 8.118 41.371 1.00 0.00 H ATOM 2775 HB2 GLU B 72 8.843 7.561 43.203 1.00 0.00 H ATOM 2776 HB3 GLU B 72 9.522 9.205 43.164 1.00 0.00 H ATOM 2777 HG2 GLU B 72 7.212 10.067 43.621 1.00 0.00 H ATOM 2778 HG3 GLU B 72 6.709 8.380 43.882 1.00 0.00 H ATOM 2779 H GLU B 72 10.251 8.740 40.730 1.00 0.00 H ATOM 2780 N ALA B 73 6.782 10.387 40.506 1.00 23.30 N ATOM 2781 CA ALA B 73 6.385 11.718 40.099 1.00 25.14 C ATOM 2782 C ALA B 73 5.832 12.427 41.313 1.00 27.11 C ATOM 2783 O ALA B 73 5.122 11.814 42.118 1.00 26.68 O ATOM 2784 CB ALA B 73 5.314 11.630 38.997 1.00 23.71 C ATOM 2785 HA ALA B 73 7.238 12.267 39.700 1.00 0.00 H ATOM 2786 HB1 ALA B 73 5.721 11.097 38.138 1.00 0.00 H ATOM 2787 HB2 ALA B 73 4.444 11.095 39.379 1.00 0.00 H ATOM 2788 HB3 ALA B 73 5.021 12.636 38.696 1.00 0.00 H ATOM 2789 H ALA B 73 6.163 9.578 40.293 1.00 0.00 H ATOM 2790 N GLY B 74 6.165 13.705 41.456 1.00 28.91 N ATOM 2791 CA GLY B 74 5.638 14.477 42.577 1.00 31.70 C ATOM 2792 C GLY B 74 4.244 15.001 42.240 1.00 33.07 C ATOM 2793 O GLY B 74 3.752 14.743 41.146 1.00 33.92 O ATOM 2794 HA3 GLY B 74 6.301 15.318 42.780 1.00 0.00 H ATOM 2795 HA2 GLY B 74 5.581 13.840 43.460 1.00 0.00 H ATOM 2796 H GLY B 74 6.802 14.156 40.768 1.00 0.00 H ATOM 2797 N ARG B 75 3.618 15.752 43.145 1.00 34.35 N ATOM 2798 CA ARG B 75 2.254 16.277 42.936 1.00 35.30 C ATOM 2799 C ARG B 75 1.938 17.172 41.735 1.00 36.33 C ATOM 2800 O ARG B 75 0.846 17.094 41.166 1.00 35.74 O ATOM 2801 CB ARG B 75 1.786 17.024 44.182 1.00 34.14 C ATOM 2802 CG ARG B 75 1.488 16.150 45.399 1.00 34.84 C ATOM 2803 CD ARG B 75 1.382 17.015 46.661 1.00 33.08 C ATOM 2804 NE ARG B 75 2.558 17.870 46.757 1.00 34.63 N ATOM 2805 CZ ARG B 75 2.953 18.522 47.848 1.00 36.06 C ATOM 2806 NH1 ARG B 75 2.243 18.435 48.985 1.00 34.79 N ATOM 2807 NH2 ARG B 75 4.096 19.218 47.810 1.00 33.67 N ATOM 2808 HA ARG B 75 1.724 15.351 42.713 1.00 0.00 H ATOM 2809 HB2 ARG B 75 2.565 17.734 44.461 1.00 0.00 H ATOM 2810 HB3 ARG B 75 0.876 17.567 43.927 1.00 0.00 H ATOM 2811 HG2 ARG B 75 0.546 15.624 45.243 1.00 0.00 H ATOM 2812 HG3 ARG B 75 2.291 15.424 45.526 1.00 0.00 H ATOM 2813 HD2 ARG B 75 1.325 16.373 47.540 1.00 0.00 H ATOM 2814 HD3 ARG B 75 0.486 17.633 46.606 1.00 0.00 H ATOM 2815 HE ARG B 75 3.138 17.980 45.901 1.00 0.00 H ATOM 2816 HH12 ARG B 75 2.557 18.947 49.834 1.00 0.00 H ATOM 2817 HH11 ARG B 75 1.380 17.856 49.016 1.00 0.00 H ATOM 2818 HH22 ARG B 75 4.419 19.733 48.654 1.00 0.00 H ATOM 2819 HH21 ARG B 75 4.661 19.243 46.937 1.00 0.00 H ATOM 2820 H ARG B 75 4.109 15.977 44.033 1.00 0.00 H ATOM 2821 N ARG B 76 2.863 18.034 41.343 1.00 37.46 N ATOM 2822 CA ARG B 76 2.566 18.960 40.250 1.00 38.28 C ATOM 2823 C ARG B 76 2.596 18.390 38.813 1.00 38.33 C ATOM 2824 O ARG B 76 2.403 19.120 37.828 1.00 38.13 O ATOM 2825 CB ARG B 76 3.468 20.191 40.417 1.00 38.66 C ATOM 2826 CG ARG B 76 3.289 20.809 41.808 1.00 40.14 C ATOM 2827 CD ARG B 76 4.297 21.895 42.125 1.00 43.33 C ATOM 2828 NE ARG B 76 5.676 21.413 42.120 1.00 45.99 N ATOM 2829 CZ ARG B 76 6.744 22.201 42.222 1.00 46.70 C ATOM 2830 NH1 ARG B 76 6.595 23.515 42.347 1.00 47.62 N ATOM 2831 NH2 ARG B 76 7.965 21.678 42.162 1.00 48.32 N ATOM 2832 HA ARG B 76 1.512 19.220 40.346 1.00 0.00 H ATOM 2833 HB2 ARG B 76 4.508 19.893 40.289 1.00 0.00 H ATOM 2834 HB3 ARG B 76 3.208 20.931 39.660 1.00 0.00 H ATOM 2835 HG2 ARG B 76 2.289 21.239 41.868 1.00 0.00 H ATOM 2836 HG3 ARG B 76 3.389 20.018 42.552 1.00 0.00 H ATOM 2837 HD2 ARG B 76 4.074 22.299 43.112 1.00 0.00 H ATOM 2838 HD3 ARG B 76 4.202 22.685 41.380 1.00 0.00 H ATOM 2839 HE ARG B 76 5.833 20.389 42.031 1.00 0.00 H ATOM 2840 HH12 ARG B 76 7.431 24.128 42.426 1.00 0.00 H ATOM 2841 HH11 ARG B 76 5.642 23.931 42.365 1.00 0.00 H ATOM 2842 HH22 ARG B 76 8.799 22.294 42.242 1.00 0.00 H ATOM 2843 HH21 ARG B 76 8.086 20.653 42.035 1.00 0.00 H ATOM 2844 H ARG B 76 3.793 18.053 41.808 1.00 0.00 H ATOM 2845 N CYS B 77 2.805 17.078 38.717 1.00 37.08 N ATOM 2846 CA CYS B 77 2.839 16.379 37.443 1.00 36.18 C ATOM 2847 C CYS B 77 1.388 16.146 37.021 1.00 36.53 C ATOM 2848 O CYS B 77 0.519 15.925 37.874 1.00 34.94 O ATOM 2849 CB CYS B 77 3.543 15.019 37.587 1.00 35.28 C ATOM 2850 SG CYS B 77 5.307 15.051 37.980 1.00 36.36 S ATOM 2851 HA CYS B 77 3.385 16.969 36.707 1.00 0.00 H ATOM 2852 HB2 CYS B 77 3.425 14.485 36.644 1.00 0.00 H ATOM 2853 HB3 CYS B 77 3.038 14.469 38.381 1.00 0.00 H ATOM 2854 HG CYS B 77 5.779 13.758 38.073 1.00 0.00 H ATOM 2855 H CYS B 77 2.950 16.531 39.590 1.00 0.00 H ATOM 2856 N PRO B 78 1.110 16.180 35.698 1.00 36.87 N ATOM 2857 CA PRO B 78 -0.225 15.975 35.110 1.00 36.69 C ATOM 2858 C PRO B 78 -0.837 14.646 35.516 1.00 35.42 C ATOM 2859 O PRO B 78 -2.057 14.520 35.600 1.00 35.82 O ATOM 2860 CB PRO B 78 0.038 16.029 33.603 1.00 36.69 C ATOM 2861 CG PRO B 78 1.171 16.962 33.497 1.00 37.47 C ATOM 2862 CD PRO B 78 2.079 16.535 34.647 1.00 37.56 C ATOM 2863 HA PRO B 78 -0.944 16.721 35.449 1.00 0.00 H ATOM 2864 HD3 PRO B 78 2.692 15.678 34.369 1.00 0.00 H ATOM 2865 HD2 PRO B 78 2.725 17.353 34.965 1.00 0.00 H ATOM 2866 HG3 PRO B 78 0.842 17.994 33.620 1.00 0.00 H ATOM 2867 HG2 PRO B 78 1.678 16.856 32.538 1.00 0.00 H ATOM 2868 HB2 PRO B 78 0.303 15.045 33.216 1.00 0.00 H ATOM 2869 HB3 PRO B 78 -0.832 16.407 33.067 1.00 0.00 H ATOM 2870 N SER B 79 0.022 13.668 35.784 1.00 33.55 N ATOM 2871 CA SER B 79 -0.430 12.333 36.162 1.00 32.95 C ATOM 2872 C SER B 79 -0.770 12.173 37.646 1.00 33.31 C ATOM 2873 O SER B 79 -1.519 11.264 38.004 1.00 33.93 O ATOM 2874 CB SER B 79 0.636 11.302 35.814 1.00 30.74 C ATOM 2875 OG SER B 79 1.768 11.550 36.608 1.00 28.26 O ATOM 2876 HA SER B 79 -1.350 12.177 35.599 1.00 0.00 H ATOM 2877 HB2 SER B 79 0.900 11.386 34.760 1.00 0.00 H ATOM 2878 HB3 SER B 79 0.258 10.299 36.014 1.00 0.00 H ATOM 2879 HG SER B 79 1.522 11.474 37.564 1.00 0.00 H ATOM 2880 H SER B 79 1.042 13.859 35.723 1.00 0.00 H ATOM 2881 N GLY B 80 -0.240 13.050 38.499 1.00 32.24 N ATOM 2882 CA GLY B 80 -0.469 12.906 39.921 1.00 32.29 C ATOM 2883 C GLY B 80 0.788 12.249 40.497 1.00 32.04 C ATOM 2884 O GLY B 80 1.648 11.817 39.719 1.00 33.57 O ATOM 2885 HA3 GLY B 80 -1.340 12.276 40.101 1.00 0.00 H ATOM 2886 HA2 GLY B 80 -0.628 13.883 40.378 1.00 0.00 H ATOM 2887 H GLY B 80 0.338 13.838 38.143 1.00 0.00 H ATOM 2888 N PRO B 81 0.945 12.151 41.830 1.00 30.24 N ATOM 2889 CA PRO B 81 2.172 11.523 42.317 1.00 28.46 C ATOM 2890 C PRO B 81 2.073 10.013 42.395 1.00 26.72 C ATOM 2891 O PRO B 81 0.997 9.418 42.261 1.00 26.99 O ATOM 2892 CB PRO B 81 2.372 12.147 43.710 1.00 28.19 C ATOM 2893 CG PRO B 81 1.418 13.246 43.771 1.00 29.71 C ATOM 2894 CD PRO B 81 0.244 12.792 42.944 1.00 30.03 C ATOM 2895 HA PRO B 81 3.010 11.698 41.643 1.00 0.00 H ATOM 2896 HD3 PRO B 81 -0.384 12.085 43.487 1.00 0.00 H ATOM 2897 HD2 PRO B 81 -0.364 13.633 42.609 1.00 0.00 H ATOM 2898 HG3 PRO B 81 1.853 14.154 43.353 1.00 0.00 H ATOM 2899 HG2 PRO B 81 1.112 13.431 44.801 1.00 0.00 H ATOM 2900 HB2 PRO B 81 2.165 11.416 44.491 1.00 0.00 H ATOM 2901 HB3 PRO B 81 3.391 12.517 43.822 1.00 0.00 H ATOM 2902 N GLY B 82 3.213 9.391 42.642 1.00 25.02 N ATOM 2903 CA GLY B 82 3.227 7.954 42.732 1.00 22.86 C ATOM 2904 C GLY B 82 4.419 7.419 42.012 1.00 21.01 C ATOM 2905 O GLY B 82 5.243 8.168 41.468 1.00 19.68 O ATOM 2906 HA3 GLY B 82 2.320 7.553 42.280 1.00 0.00 H ATOM 2907 HA2 GLY B 82 3.272 7.656 43.780 1.00 0.00 H ATOM 2908 H GLY B 82 4.091 9.934 42.770 1.00 0.00 H ATOM 2909 N THR B 83 4.515 6.101 42.035 1.00 21.35 N ATOM 2910 CA THR B 83 5.609 5.416 41.377 1.00 22.67 C ATOM 2911 C THR B 83 5.143 4.887 40.021 1.00 22.40 C ATOM 2912 O THR B 83 4.071 4.294 39.913 1.00 23.48 O ATOM 2913 CB THR B 83 6.102 4.245 42.254 1.00 23.38 C ATOM 2914 OG1 THR B 83 6.589 4.768 43.499 1.00 25.06 O ATOM 2915 CG2 THR B 83 7.213 3.461 41.556 1.00 23.84 C ATOM 2916 HA THR B 83 6.430 6.117 41.227 1.00 0.00 H ATOM 2917 HB THR B 83 5.269 3.565 42.430 1.00 0.00 H ATOM 2918 HG1 THR B 83 6.907 4.022 44.067 1.00 0.00 H ATOM 2919 HG23 THR B 83 6.839 3.066 40.612 1.00 0.00 H ATOM 2920 HG21 THR B 83 8.058 4.122 41.365 1.00 0.00 H ATOM 2921 HG22 THR B 83 7.532 2.637 42.195 1.00 0.00 H ATOM 2922 H THR B 83 3.792 5.545 42.535 1.00 0.00 H ATOM 2923 N PHE B 84 5.932 5.142 38.985 1.00 21.72 N ATOM 2924 CA PHE B 84 5.628 4.621 37.647 1.00 20.98 C ATOM 2925 C PHE B 84 6.751 3.638 37.299 1.00 21.64 C ATOM 2926 O PHE B 84 7.880 4.051 37.019 1.00 23.43 O ATOM 2927 CB PHE B 84 5.596 5.737 36.601 1.00 18.73 C ATOM 2928 CG PHE B 84 4.321 6.538 36.592 1.00 16.72 C ATOM 2929 CD1 PHE B 84 4.281 7.821 37.168 1.00 15.96 C ATOM 2930 CD2 PHE B 84 3.170 6.031 36.004 1.00 14.99 C ATOM 2931 CE1 PHE B 84 3.132 8.588 37.163 1.00 12.69 C ATOM 2932 CE2 PHE B 84 1.987 6.807 35.989 1.00 17.15 C ATOM 2933 CZ PHE B 84 1.983 8.099 36.579 1.00 14.50 C ATOM 2934 HA PHE B 84 4.646 4.148 37.646 1.00 0.00 H ATOM 2935 HB2 PHE B 84 6.425 6.416 36.800 1.00 0.00 H ATOM 2936 HB3 PHE B 84 5.724 5.287 35.617 1.00 0.00 H ATOM 2937 HD2 PHE B 84 3.178 5.038 35.555 1.00 0.00 H ATOM 2938 HE2 PHE B 84 1.082 6.415 35.526 1.00 0.00 H ATOM 2939 HZ PHE B 84 1.075 8.702 36.570 1.00 0.00 H ATOM 2940 HE1 PHE B 84 3.134 9.578 37.620 1.00 0.00 H ATOM 2941 HD1 PHE B 84 5.183 8.221 37.632 1.00 0.00 H ATOM 2942 H PHE B 84 6.783 5.723 39.124 1.00 0.00 H ATOM 2943 N THR B 85 6.426 2.347 37.322 1.00 20.17 N ATOM 2944 CA THR B 85 7.358 1.268 37.044 1.00 16.66 C ATOM 2945 C THR B 85 7.189 0.716 35.646 1.00 17.02 C ATOM 2946 O THR B 85 6.093 0.327 35.275 1.00 17.96 O ATOM 2947 CB THR B 85 7.135 0.120 38.048 1.00 15.86 C ATOM 2948 OG1 THR B 85 7.589 0.535 39.339 1.00 15.96 O ATOM 2949 CG2 THR B 85 7.868 -1.153 37.620 1.00 12.94 C ATOM 2950 HA THR B 85 8.363 1.679 37.135 1.00 0.00 H ATOM 2951 HB THR B 85 6.070 -0.110 38.080 1.00 0.00 H ATOM 2952 HG1 THR B 85 7.448 -0.199 39.989 1.00 0.00 H ATOM 2953 HG23 THR B 85 7.515 -1.461 36.636 1.00 0.00 H ATOM 2954 HG21 THR B 85 8.939 -0.957 37.578 1.00 0.00 H ATOM 2955 HG22 THR B 85 7.670 -1.945 38.342 1.00 0.00 H ATOM 2956 H THR B 85 5.444 2.095 37.553 1.00 0.00 H ATOM 2957 N PHE B 86 8.280 0.664 34.882 1.00 17.88 N ATOM 2958 CA PHE B 86 8.258 0.127 33.509 1.00 18.72 C ATOM 2959 C PHE B 86 9.211 -1.046 33.232 1.00 18.27 C ATOM 2960 O PHE B 86 10.440 -0.929 33.261 1.00 19.09 O ATOM 2961 CB PHE B 86 8.540 1.222 32.455 1.00 18.97 C ATOM 2962 CG PHE B 86 7.492 2.312 32.391 1.00 18.72 C ATOM 2963 CD1 PHE B 86 7.700 3.536 33.027 1.00 19.81 C ATOM 2964 CD2 PHE B 86 6.303 2.117 31.696 1.00 19.86 C ATOM 2965 CE1 PHE B 86 6.746 4.545 32.974 1.00 19.32 C ATOM 2966 CE2 PHE B 86 5.340 3.114 31.626 1.00 18.38 C ATOM 2967 CZ PHE B 86 5.562 4.335 32.267 1.00 20.51 C ATOM 2968 HA PHE B 86 7.242 -0.257 33.423 1.00 0.00 H ATOM 2969 HB2 PHE B 86 9.499 1.684 32.691 1.00 0.00 H ATOM 2970 HB3 PHE B 86 8.598 0.746 31.476 1.00 0.00 H ATOM 2971 HD2 PHE B 86 6.124 1.164 31.197 1.00 0.00 H ATOM 2972 HE2 PHE B 86 4.416 2.945 31.074 1.00 0.00 H ATOM 2973 HZ PHE B 86 4.811 5.123 32.215 1.00 0.00 H ATOM 2974 HE1 PHE B 86 6.922 5.494 33.481 1.00 0.00 H ATOM 2975 HD1 PHE B 86 8.627 3.704 33.575 1.00 0.00 H ATOM 2976 H PHE B 86 9.180 1.015 35.268 1.00 0.00 H ATOM 2977 N GLN B 87 8.620 -2.191 32.958 1.00 18.26 N ATOM 2978 CA GLN B 87 9.396 -3.365 32.620 1.00 17.83 C ATOM 2979 C GLN B 87 10.233 -3.056 31.363 1.00 17.94 C ATOM 2980 O GLN B 87 9.726 -2.516 30.390 1.00 17.82 O ATOM 2981 CB GLN B 87 8.448 -4.528 32.372 1.00 15.40 C ATOM 2982 CG GLN B 87 7.839 -5.054 33.641 1.00 17.90 C ATOM 2983 CD GLN B 87 6.660 -6.002 33.409 1.00 19.87 C ATOM 2984 OE1 GLN B 87 6.581 -6.714 32.397 1.00 19.53 O ATOM 2985 NE2 GLN B 87 5.734 -6.008 34.357 1.00 19.28 N ATOM 2986 HA GLN B 87 10.069 -3.635 33.434 1.00 0.00 H ATOM 2987 HB2 GLN B 87 7.648 -4.193 31.713 1.00 0.00 H ATOM 2988 HB3 GLN B 87 9.001 -5.334 31.889 1.00 0.00 H ATOM 2989 HG2 GLN B 87 8.609 -5.590 34.196 1.00 0.00 H ATOM 2990 HG3 GLN B 87 7.490 -4.208 34.232 1.00 0.00 H ATOM 2991 HE22 GLN B 87 5.839 -5.395 35.190 1.00 0.00 H ATOM 2992 HE21 GLN B 87 4.902 -6.626 34.268 1.00 0.00 H ATOM 2993 H GLN B 87 7.582 -2.252 32.985 1.00 0.00 H ATOM 2994 N THR B 88 11.519 -3.385 31.413 1.00 18.27 N ATOM 2995 CA THR B 88 12.454 -3.162 30.311 1.00 17.88 C ATOM 2996 C THR B 88 13.798 -3.797 30.700 1.00 19.51 C ATOM 2997 O THR B 88 14.073 -4.017 31.887 1.00 18.61 O ATOM 2998 CB THR B 88 12.720 -1.631 30.069 1.00 17.37 C ATOM 2999 OG1 THR B 88 13.827 -1.486 29.172 1.00 16.84 O ATOM 3000 CG2 THR B 88 13.075 -0.915 31.397 1.00 14.72 C ATOM 3001 HA THR B 88 12.025 -3.594 29.407 1.00 0.00 H ATOM 3002 HB THR B 88 11.817 -1.186 29.652 1.00 0.00 H ATOM 3003 HG1 THR B 88 14.000 -0.524 29.016 1.00 0.00 H ATOM 3004 HG23 THR B 88 12.244 -1.014 32.095 1.00 0.00 H ATOM 3005 HG21 THR B 88 13.968 -1.370 31.826 1.00 0.00 H ATOM 3006 HG22 THR B 88 13.263 0.141 31.200 1.00 0.00 H ATOM 3007 H THR B 88 11.881 -3.825 32.283 1.00 0.00 H ATOM 3008 N SER B 89 14.639 -4.081 29.712 1.00 19.80 N ATOM 3009 CA SER B 89 15.965 -4.631 30.002 1.00 20.82 C ATOM 3010 C SER B 89 17.016 -3.530 29.822 1.00 20.22 C ATOM 3011 O SER B 89 18.218 -3.766 29.927 1.00 19.36 O ATOM 3012 CB SER B 89 16.269 -5.813 29.077 1.00 21.41 C ATOM 3013 OG SER B 89 16.241 -5.415 27.723 1.00 26.48 O ATOM 3014 HA SER B 89 15.989 -4.991 31.030 1.00 0.00 H ATOM 3015 HB2 SER B 89 15.523 -6.592 29.236 1.00 0.00 H ATOM 3016 HB3 SER B 89 17.258 -6.206 29.313 1.00 0.00 H ATOM 3017 HG SER B 89 16.440 -6.195 27.147 1.00 0.00 H ATOM 3018 H SER B 89 14.354 -3.912 28.726 1.00 0.00 H ATOM 3019 N GLN B 90 16.538 -2.313 29.597 1.00 20.00 N ATOM 3020 CA GLN B 90 17.421 -1.192 29.360 1.00 21.50 C ATOM 3021 C GLN B 90 17.404 -0.100 30.433 1.00 21.93 C ATOM 3022 O GLN B 90 17.909 1.009 30.206 1.00 23.11 O ATOM 3023 CB GLN B 90 17.061 -0.562 28.010 1.00 22.56 C ATOM 3024 CG GLN B 90 17.210 -1.486 26.824 1.00 21.38 C ATOM 3025 CD GLN B 90 16.462 -0.960 25.637 1.00 22.69 C ATOM 3026 OE1 GLN B 90 15.231 -0.764 25.686 1.00 23.30 O ATOM 3027 NE2 GLN B 90 17.189 -0.704 24.558 1.00 22.96 N ATOM 3028 HA GLN B 90 18.430 -1.604 29.379 1.00 0.00 H ATOM 3029 HB2 GLN B 90 16.023 -0.231 28.055 1.00 0.00 H ATOM 3030 HB3 GLN B 90 17.710 0.300 27.853 1.00 0.00 H ATOM 3031 HG2 GLN B 90 18.266 -1.573 26.570 1.00 0.00 H ATOM 3032 HG3 GLN B 90 16.818 -2.469 27.086 1.00 0.00 H ATOM 3033 HE22 GLN B 90 18.213 -0.884 24.566 1.00 0.00 H ATOM 3034 HE21 GLN B 90 16.735 -0.323 23.704 1.00 0.00 H ATOM 3035 H GLN B 90 15.509 -2.162 29.591 1.00 0.00 H ATOM 3036 N GLY B 91 16.850 -0.419 31.593 1.00 21.53 N ATOM 3037 CA GLY B 91 16.757 0.537 32.677 1.00 20.61 C ATOM 3038 C GLY B 91 18.005 1.355 32.906 1.00 21.13 C ATOM 3039 O GLY B 91 17.952 2.578 33.089 1.00 20.24 O ATOM 3040 HA3 GLY B 91 16.536 -0.009 33.594 1.00 0.00 H ATOM 3041 HA2 GLY B 91 15.938 1.221 32.457 1.00 0.00 H ATOM 3042 H GLY B 91 16.473 -1.379 31.729 1.00 0.00 H ATOM 3043 N ASN B 92 19.146 0.684 32.906 1.00 21.37 N ATOM 3044 CA ASN B 92 20.375 1.389 33.130 1.00 20.93 C ATOM 3045 C ASN B 92 20.617 2.418 32.024 1.00 20.28 C ATOM 3046 O ASN B 92 21.093 3.515 32.304 1.00 19.63 O ATOM 3047 CB ASN B 92 21.521 0.404 33.247 1.00 21.95 C ATOM 3048 CG ASN B 92 22.711 1.005 33.955 1.00 27.45 C ATOM 3049 OD1 ASN B 92 23.837 0.921 33.456 1.00 30.74 O ATOM 3050 ND2 ASN B 92 22.477 1.638 35.122 1.00 27.26 N ATOM 3051 HA ASN B 92 20.308 1.938 34.069 1.00 0.00 H ATOM 3052 HB2 ASN B 92 21.181 -0.467 33.807 1.00 0.00 H ATOM 3053 HB3 ASN B 92 21.825 0.096 32.246 1.00 0.00 H ATOM 3054 HD22 ASN B 92 21.511 1.684 35.504 1.00 0.00 H ATOM 3055 HD21 ASN B 92 23.263 2.081 35.640 1.00 0.00 H ATOM 3056 H ASN B 92 19.151 -0.343 32.745 1.00 0.00 H ATOM 3057 N ASP B 93 20.280 2.087 30.777 1.00 19.79 N ATOM 3058 CA ASP B 93 20.448 3.050 29.691 1.00 21.12 C ATOM 3059 C ASP B 93 19.467 4.226 29.838 1.00 21.10 C ATOM 3060 O ASP B 93 19.802 5.360 29.484 1.00 23.12 O ATOM 3061 CB ASP B 93 20.237 2.409 28.315 1.00 22.64 C ATOM 3062 CG ASP B 93 21.323 1.407 27.955 1.00 23.92 C ATOM 3063 OD1 ASP B 93 22.526 1.699 28.149 1.00 23.60 O ATOM 3064 OD2 ASP B 93 20.956 0.321 27.464 1.00 26.42 O ATOM 3065 HA ASP B 93 21.474 3.411 29.759 1.00 0.00 H ATOM 3066 HB2 ASP B 93 19.276 1.895 28.314 1.00 0.00 H ATOM 3067 HB3 ASP B 93 20.227 3.197 27.562 1.00 0.00 H ATOM 3068 H ASP B 93 19.897 1.141 30.577 1.00 0.00 H ATOM 3069 N ILE B 94 18.259 3.967 30.322 1.00 18.30 N ATOM 3070 CA ILE B 94 17.311 5.040 30.526 1.00 20.00 C ATOM 3071 C ILE B 94 17.783 5.867 31.730 1.00 22.34 C ATOM 3072 O ILE B 94 17.596 7.075 31.787 1.00 22.98 O ATOM 3073 CB ILE B 94 15.918 4.507 30.892 1.00 20.39 C ATOM 3074 CG1 ILE B 94 15.284 3.781 29.696 1.00 18.76 C ATOM 3075 CG2 ILE B 94 15.031 5.666 31.394 1.00 16.83 C ATOM 3076 CD1 ILE B 94 13.991 3.099 30.064 1.00 14.59 C ATOM 3077 HA ILE B 94 17.252 5.616 29.603 1.00 0.00 H ATOM 3078 HB ILE B 94 16.012 3.779 31.698 1.00 0.00 H ATOM 3079 HG12 ILE B 94 15.086 4.508 28.908 1.00 0.00 H ATOM 3080 HG13 ILE B 94 15.985 3.031 29.329 1.00 0.00 H ATOM 3081 HD11 ILE B 94 14.179 2.364 30.846 1.00 0.00 H ATOM 3082 HD12 ILE B 94 13.280 3.842 30.426 1.00 0.00 H ATOM 3083 HD13 ILE B 94 13.582 2.600 29.185 1.00 0.00 H ATOM 3084 HG21 ILE B 94 15.488 6.117 32.275 1.00 0.00 H ATOM 3085 HG22 ILE B 94 14.936 6.416 30.609 1.00 0.00 H ATOM 3086 HG23 ILE B 94 14.044 5.281 31.652 1.00 0.00 H ATOM 3087 H ILE B 94 17.993 2.989 30.555 1.00 0.00 H ATOM 3088 N PHE B 95 18.374 5.196 32.711 1.00 23.98 N ATOM 3089 CA PHE B 95 18.842 5.870 33.907 1.00 25.48 C ATOM 3090 C PHE B 95 19.957 6.831 33.529 1.00 26.36 C ATOM 3091 O PHE B 95 19.983 7.999 33.949 1.00 24.94 O ATOM 3092 CB PHE B 95 19.388 4.868 34.921 1.00 25.14 C ATOM 3093 CG PHE B 95 20.027 5.522 36.114 1.00 25.94 C ATOM 3094 CD1 PHE B 95 19.254 5.894 37.225 1.00 25.38 C ATOM 3095 CD2 PHE B 95 21.385 5.841 36.096 1.00 25.15 C ATOM 3096 CE1 PHE B 95 19.825 6.578 38.292 1.00 25.06 C ATOM 3097 CE2 PHE B 95 21.966 6.520 37.147 1.00 24.15 C ATOM 3098 CZ PHE B 95 21.187 6.895 38.253 1.00 25.29 C ATOM 3099 HA PHE B 95 18.003 6.404 34.354 1.00 0.00 H ATOM 3100 HB2 PHE B 95 18.566 4.242 35.268 1.00 0.00 H ATOM 3101 HB3 PHE B 95 20.133 4.245 34.426 1.00 0.00 H ATOM 3102 HD2 PHE B 95 21.995 5.550 35.241 1.00 0.00 H ATOM 3103 HE2 PHE B 95 23.028 6.765 37.119 1.00 0.00 H ATOM 3104 HZ PHE B 95 21.644 7.434 39.083 1.00 0.00 H ATOM 3105 HE1 PHE B 95 19.218 6.864 39.151 1.00 0.00 H ATOM 3106 HD1 PHE B 95 18.193 5.644 37.251 1.00 0.00 H ATOM 3107 H PHE B 95 18.504 4.168 32.620 1.00 0.00 H ATOM 3108 N GLN B 96 20.883 6.313 32.736 1.00 27.06 N ATOM 3109 CA GLN B 96 22.001 7.108 32.298 1.00 29.33 C ATOM 3110 C GLN B 96 21.611 8.222 31.343 1.00 28.15 C ATOM 3111 O GLN B 96 22.227 9.279 31.351 1.00 28.07 O ATOM 3112 CB GLN B 96 23.077 6.216 31.719 1.00 31.53 C ATOM 3113 CG GLN B 96 23.907 5.580 32.829 1.00 35.92 C ATOM 3114 CD GLN B 96 25.061 4.777 32.279 1.00 39.07 C ATOM 3115 OE1 GLN B 96 25.967 5.315 31.628 1.00 40.84 O ATOM 3116 NE2 GLN B 96 25.031 3.474 32.521 1.00 40.97 N ATOM 3117 HA GLN B 96 22.401 7.614 33.177 1.00 0.00 H ATOM 3118 HB2 GLN B 96 22.609 5.430 31.126 1.00 0.00 H ATOM 3119 HB3 GLN B 96 23.730 6.811 31.080 1.00 0.00 H ATOM 3120 HG2 GLN B 96 24.300 6.368 33.471 1.00 0.00 H ATOM 3121 HG3 GLN B 96 23.266 4.921 33.415 1.00 0.00 H ATOM 3122 HE22 GLN B 96 24.250 3.065 33.073 1.00 0.00 H ATOM 3123 HE21 GLN B 96 25.789 2.860 32.159 1.00 0.00 H ATOM 3124 H GLN B 96 20.802 5.323 32.427 1.00 0.00 H ATOM 3125 N ALA B 97 20.572 8.012 30.547 1.00 27.04 N ATOM 3126 CA ALA B 97 20.118 9.087 29.660 1.00 27.03 C ATOM 3127 C ALA B 97 19.438 10.217 30.482 1.00 26.63 C ATOM 3128 O ALA B 97 19.644 11.390 30.208 1.00 25.39 O ATOM 3129 CB ALA B 97 19.155 8.538 28.589 1.00 24.06 C ATOM 3130 HA ALA B 97 20.987 9.506 29.153 1.00 0.00 H ATOM 3131 HB1 ALA B 97 19.668 7.782 27.994 1.00 0.00 H ATOM 3132 HB2 ALA B 97 18.288 8.092 29.076 1.00 0.00 H ATOM 3133 HB3 ALA B 97 18.831 9.353 27.942 1.00 0.00 H ATOM 3134 H ALA B 97 20.084 7.094 30.552 1.00 0.00 H ATOM 3135 N VAL B 98 18.638 9.864 31.488 1.00 28.01 N ATOM 3136 CA VAL B 98 17.970 10.888 32.293 1.00 29.58 C ATOM 3137 C VAL B 98 19.030 11.623 33.095 1.00 30.78 C ATOM 3138 O VAL B 98 18.998 12.847 33.207 1.00 31.53 O ATOM 3139 CB VAL B 98 16.911 10.281 33.251 1.00 29.13 C ATOM 3140 CG1 VAL B 98 16.518 11.301 34.330 1.00 26.61 C ATOM 3141 CG2 VAL B 98 15.683 9.845 32.455 1.00 27.01 C ATOM 3142 HA VAL B 98 17.441 11.568 31.625 1.00 0.00 H ATOM 3143 HB VAL B 98 17.339 9.409 33.745 1.00 0.00 H ATOM 3144 HG11 VAL B 98 17.401 11.578 34.906 1.00 0.00 H ATOM 3145 HG12 VAL B 98 16.100 12.188 33.854 1.00 0.00 H ATOM 3146 HG13 VAL B 98 15.775 10.858 34.993 1.00 0.00 H ATOM 3147 HG21 VAL B 98 15.256 10.709 31.946 1.00 0.00 H ATOM 3148 HG22 VAL B 98 15.976 9.096 31.719 1.00 0.00 H ATOM 3149 HG23 VAL B 98 14.944 9.420 33.134 1.00 0.00 H ATOM 3150 H VAL B 98 18.488 8.857 31.702 1.00 0.00 H ATOM 3151 N GLU B 99 19.971 10.850 33.628 1.00 32.07 N ATOM 3152 CA GLU B 99 21.093 11.355 34.412 1.00 32.50 C ATOM 3153 C GLU B 99 21.742 12.540 33.670 1.00 31.09 C ATOM 3154 O GLU B 99 21.844 13.652 34.182 1.00 30.29 O ATOM 3155 CB GLU B 99 22.112 10.207 34.594 1.00 35.27 C ATOM 3156 CG GLU B 99 23.242 10.439 35.600 1.00 39.84 C ATOM 3157 CD GLU B 99 22.766 10.412 37.062 1.00 43.10 C ATOM 3158 OE1 GLU B 99 23.599 10.117 37.958 1.00 43.23 O ATOM 3159 OE2 GLU B 99 21.568 10.698 37.315 1.00 44.27 O ATOM 3160 HA GLU B 99 20.756 11.702 35.389 1.00 0.00 H ATOM 3161 HB2 GLU B 99 21.560 9.324 34.916 1.00 0.00 H ATOM 3162 HB3 GLU B 99 22.569 10.015 33.623 1.00 0.00 H ATOM 3163 HG2 GLU B 99 23.992 9.660 35.465 1.00 0.00 H ATOM 3164 HG3 GLU B 99 23.691 11.412 35.399 1.00 0.00 H ATOM 3165 H GLU B 99 19.903 9.823 33.477 1.00 0.00 H ATOM 3166 N ALA B 100 22.186 12.282 32.449 1.00 29.95 N ATOM 3167 CA ALA B 100 22.816 13.296 31.634 1.00 28.68 C ATOM 3168 C ALA B 100 21.862 14.459 31.334 1.00 29.10 C ATOM 3169 O ALA B 100 22.201 15.619 31.537 1.00 28.64 O ATOM 3170 CB ALA B 100 23.316 12.665 30.351 1.00 25.59 C ATOM 3171 HA ALA B 100 23.658 13.712 32.188 1.00 0.00 H ATOM 3172 HB1 ALA B 100 24.039 11.885 30.589 1.00 0.00 H ATOM 3173 HB2 ALA B 100 22.476 12.230 29.810 1.00 0.00 H ATOM 3174 HB3 ALA B 100 23.792 13.427 29.734 1.00 0.00 H ATOM 3175 H ALA B 100 22.078 11.321 32.065 1.00 0.00 H ATOM 3176 N ALA B 101 20.666 14.149 30.852 1.00 30.10 N ATOM 3177 CA ALA B 101 19.695 15.188 30.532 1.00 31.22 C ATOM 3178 C ALA B 101 19.532 16.169 31.695 1.00 32.34 C ATOM 3179 O ALA B 101 19.538 17.385 31.480 1.00 33.90 O ATOM 3180 CB ALA B 101 18.348 14.563 30.166 1.00 28.54 C ATOM 3181 HA ALA B 101 20.068 15.746 29.673 1.00 0.00 H ATOM 3182 HB1 ALA B 101 18.474 13.914 29.299 1.00 0.00 H ATOM 3183 HB2 ALA B 101 17.979 13.978 31.009 1.00 0.00 H ATOM 3184 HB3 ALA B 101 17.635 15.353 29.930 1.00 0.00 H ATOM 3185 H ALA B 101 20.417 13.151 30.700 1.00 0.00 H ATOM 3186 N ILE B 102 19.377 15.651 32.915 1.00 32.68 N ATOM 3187 CA ILE B 102 19.229 16.507 34.093 1.00 32.74 C ATOM 3188 C ILE B 102 20.550 17.256 34.325 1.00 34.94 C ATOM 3189 O ILE B 102 20.569 18.424 34.721 1.00 34.03 O ATOM 3190 CB ILE B 102 18.853 15.679 35.345 1.00 30.10 C ATOM 3191 CG1 ILE B 102 17.455 15.083 35.150 1.00 30.11 C ATOM 3192 CG2 ILE B 102 18.919 16.546 36.567 1.00 28.97 C ATOM 3193 CD1 ILE B 102 16.812 14.452 36.381 1.00 28.11 C ATOM 3194 HA ILE B 102 18.422 17.218 33.918 1.00 0.00 H ATOM 3195 HB ILE B 102 19.560 14.861 35.482 1.00 0.00 H ATOM 3196 HG12 ILE B 102 16.798 15.881 34.804 1.00 0.00 H ATOM 3197 HG13 ILE B 102 17.526 14.314 34.381 1.00 0.00 H ATOM 3198 HD11 ILE B 102 17.439 13.636 36.739 1.00 0.00 H ATOM 3199 HD12 ILE B 102 16.712 15.205 37.163 1.00 0.00 H ATOM 3200 HD13 ILE B 102 15.827 14.066 36.118 1.00 0.00 H ATOM 3201 HG21 ILE B 102 19.931 16.934 36.682 1.00 0.00 H ATOM 3202 HG22 ILE B 102 18.221 17.376 36.460 1.00 0.00 H ATOM 3203 HG23 ILE B 102 18.653 15.956 37.444 1.00 0.00 H ATOM 3204 H ILE B 102 19.361 14.618 33.031 1.00 0.00 H ATOM 3205 N GLN B 103 21.656 16.569 34.057 1.00 37.78 N ATOM 3206 CA GLN B 103 22.987 17.146 34.195 1.00 40.32 C ATOM 3207 C GLN B 103 23.123 18.397 33.324 1.00 41.74 C ATOM 3208 O GLN B 103 23.607 19.417 33.795 1.00 41.64 O ATOM 3209 CB GLN B 103 24.043 16.108 33.790 1.00 42.79 C ATOM 3210 CG GLN B 103 25.426 16.669 33.404 1.00 46.72 C ATOM 3211 CD GLN B 103 26.489 16.634 34.523 1.00 48.31 C ATOM 3212 OE1 GLN B 103 27.645 17.028 34.296 1.00 48.18 O ATOM 3213 NE2 GLN B 103 26.107 16.162 35.718 1.00 48.21 N ATOM 3214 HA GLN B 103 23.140 17.432 35.236 1.00 0.00 H ATOM 3215 HB2 GLN B 103 24.181 15.427 34.630 1.00 0.00 H ATOM 3216 HB3 GLN B 103 23.656 15.554 32.934 1.00 0.00 H ATOM 3217 HG2 GLN B 103 25.803 16.087 32.563 1.00 0.00 H ATOM 3218 HG3 GLN B 103 25.295 17.706 33.096 1.00 0.00 H ATOM 3219 HE22 GLN B 103 25.128 15.843 35.862 1.00 0.00 H ATOM 3220 HE21 GLN B 103 26.790 16.115 36.501 1.00 0.00 H ATOM 3221 H GLN B 103 21.568 15.583 33.737 1.00 0.00 H ATOM 3222 N GLN B 104 22.699 18.323 32.057 1.00 43.34 N ATOM 3223 CA GLN B 104 22.800 19.465 31.149 1.00 43.78 C ATOM 3224 C GLN B 104 22.059 20.699 31.581 1.00 44.73 C ATOM 3225 O GLN B 104 22.224 21.755 30.994 1.00 44.57 O ATOM 3226 CB GLN B 104 22.390 19.066 29.750 1.00 43.28 C ATOM 3227 CG GLN B 104 23.478 18.254 29.096 1.00 45.25 C ATOM 3228 CD GLN B 104 24.843 18.961 29.139 1.00 47.24 C ATOM 3229 OE1 GLN B 104 25.895 18.306 29.203 1.00 47.52 O ATOM 3230 NE2 GLN B 104 24.829 20.300 29.092 1.00 47.07 N ATOM 3231 HA GLN B 104 23.853 19.748 31.171 1.00 0.00 H ATOM 3232 HB2 GLN B 104 21.478 18.472 29.798 1.00 0.00 H ATOM 3233 HB3 GLN B 104 22.207 19.963 29.159 1.00 0.00 H ATOM 3234 HG2 GLN B 104 23.562 17.299 29.614 1.00 0.00 H ATOM 3235 HG3 GLN B 104 23.207 18.079 28.055 1.00 0.00 H ATOM 3236 HE22 GLN B 104 23.924 20.809 29.039 1.00 0.00 H ATOM 3237 HE21 GLN B 104 25.723 20.830 29.109 1.00 0.00 H ATOM 3238 H GLN B 104 22.288 17.433 31.710 1.00 0.00 H ATOM 3239 N GLN B 105 21.243 20.567 32.618 1.00 46.90 N ATOM 3240 CA GLN B 105 20.543 21.712 33.162 1.00 48.85 C ATOM 3241 C GLN B 105 21.614 22.570 33.859 1.00 49.95 C ATOM 3242 O GLN B 105 21.349 23.205 34.873 1.00 50.85 O ATOM 3243 CB GLN B 105 19.507 21.280 34.183 1.00 49.29 C ATOM 3244 CG GLN B 105 18.558 20.190 33.710 1.00 51.04 C ATOM 3245 CD GLN B 105 17.466 20.677 32.790 1.00 50.05 C ATOM 3246 OE1 GLN B 105 16.904 21.752 32.976 1.00 50.92 O ATOM 3247 NE2 GLN B 105 17.137 19.870 31.807 1.00 51.01 N ATOM 3248 HA GLN B 105 20.022 22.256 32.374 1.00 0.00 H ATOM 3249 HB2 GLN B 105 20.032 20.913 35.065 1.00 0.00 H ATOM 3250 HB3 GLN B 105 18.913 22.153 34.453 1.00 0.00 H ATOM 3251 HG2 GLN B 105 19.140 19.436 33.181 1.00 0.00 H ATOM 3252 HG3 GLN B 105 18.092 19.739 34.586 1.00 0.00 H ATOM 3253 HE22 GLN B 105 17.639 18.967 31.685 1.00 0.00 H ATOM 3254 HE21 GLN B 105 16.374 20.134 31.151 1.00 0.00 H ATOM 3255 H GLN B 105 21.104 19.629 33.046 1.00 0.00 H ATOM 3256 N LYS B 106 22.839 22.534 33.327 1.00 50.85 N ATOM 3257 CA LYS B 106 23.956 23.352 33.813 1.00 50.44 C ATOM 3258 C LYS B 106 23.904 24.508 32.794 1.00 50.35 C ATOM 3259 O LYS B 106 24.774 24.673 31.930 1.00 50.69 O ATOM 3260 CB LYS B 106 25.293 22.575 33.733 1.00 50.17 C ATOM 3261 CG LYS B 106 25.311 21.277 34.581 1.00 51.40 C ATOM 3262 CD LYS B 106 26.699 20.686 34.954 1.00 50.29 C ATOM 3263 CE LYS B 106 27.356 21.394 36.157 1.00 50.26 C ATOM 3264 NZ LYS B 106 26.488 21.636 37.375 1.00 49.65 N ATOM 3265 HA LYS B 106 23.888 23.661 34.856 1.00 0.00 H ATOM 3266 HB2 LYS B 106 25.475 22.309 32.692 1.00 0.00 H ATOM 3267 HB3 LYS B 106 26.092 23.227 34.085 1.00 0.00 H ATOM 3268 HG2 LYS B 106 24.784 21.487 35.512 1.00 0.00 H ATOM 3269 HG3 LYS B 106 24.770 20.514 34.022 1.00 0.00 H ATOM 3270 HD2 LYS B 106 26.573 19.631 35.199 1.00 0.00 H ATOM 3271 HD3 LYS B 106 27.360 20.781 34.092 1.00 0.00 H ATOM 3272 HE2 LYS B 106 27.715 22.364 35.812 1.00 0.00 H ATOM 3273 HE3 LYS B 106 28.204 20.786 36.473 1.00 0.00 H ATOM 3274 HZ1 LYS B 106 25.678 22.232 37.109 1.00 0.00 H ATOM 3275 HZ2 LYS B 106 26.145 20.725 37.741 1.00 0.00 H ATOM 3276 HZ3 LYS B 106 27.048 22.117 38.108 1.00 0.00 H ATOM 3277 H LYS B 106 23.010 21.893 32.526 1.00 0.00 H ATOM 3278 N ALA B 107 22.820 25.270 32.894 1.00 49.45 N ATOM 3279 CA ALA B 107 22.545 26.382 32.009 1.00 48.61 C ATOM 3280 C ALA B 107 21.628 27.381 32.715 1.00 48.75 C ATOM 3281 O ALA B 107 20.708 26.949 33.455 1.00 47.74 O ATOM 3282 CB ALA B 107 21.880 25.861 30.740 1.00 48.68 C ATOM 3283 HA ALA B 107 23.476 26.884 31.744 1.00 0.00 H ATOM 3284 HB1 ALA B 107 22.547 25.155 30.245 1.00 0.00 H ATOM 3285 HB2 ALA B 107 20.947 25.360 30.999 1.00 0.00 H ATOM 3286 HB3 ALA B 107 21.672 26.696 30.071 1.00 0.00 H ATOM 3287 H ALA B 107 22.134 25.057 33.646 1.00 0.00 H TER 3288 ALA B 107 HETATM 3289 O HOH 1 11.581 0.014 17.289 1.00 8.71 O HETATM 3290 O HOH 2 20.825 -4.821 -6.976 1.00 8.93 O HETATM 3291 O HOH 3 11.755 7.450 -5.319 1.00 8.49 O HETATM 3292 O HOH 4 23.478 7.851 3.114 1.00 14.74 O HETATM 3293 O HOH 5 12.939 9.243 -3.288 1.00 15.00 O HETATM 3294 O HOH 6 18.125 2.226 -8.463 1.00 21.73 O HETATM 3295 O HOH 7 18.264 11.431 14.832 1.00 34.01 O HETATM 3296 O HOH 8 29.275 23.158 7.155 1.00 26.82 O HETATM 3297 O HOH 9 4.413 9.033 3.712 1.00 3.24 O HETATM 3298 O HOH 10 16.578 -3.006 32.866 1.00 6.42 O HETATM 3299 O HOH 11 3.678 1.950 37.237 1.00 8.79 O HETATM 3300 O HOH 12 13.557 -0.032 23.175 1.00 11.10 O HETATM 3301 O HOH 13 12.388 18.505 26.222 1.00 30.94 O HETATM 3302 O HOH 14 8.060 -3.440 26.333 1.00 11.82 O HETATM 3303 O HOH 15 -0.567 7.549 43.845 1.00 23.24 O HETATM 3304 O HOH 16 1.615 -5.126 36.236 1.00 12.03 O HETATM 3305 O HOH 17 10.757 -11.474 3.234 1.00 17.85 O HETATM 3306 N THR A 18 18.403 -8.301 -1.822 1.00 0.24 N HETATM 3307 CA THR A 18 17.974 -6.875 -1.793 1.00 0.09 C HETATM 3308 CB THR A 18 17.570 -6.257 -3.222 1.00 0.11 C HETATM 3309 CG2 THR A 18 18.634 -5.295 -3.789 1.00 -0.03 C HETATM 3310 H7 THR A 18 18.298 -4.909 -4.763 1.00 0.03 H HETATM 3311 H8 THR A 18 19.585 -5.833 -3.916 1.00 0.03 H HETATM 3312 H9 THR A 18 18.778 -4.456 -3.092 1.00 0.03 H HETATM 3313 OG1 THR A 18 17.326 -7.301 -4.162 1.00 -0.38 O HETATM 3314 H6 THR A 18 16.671 -7.893 -3.813 1.00 0.21 H HETATM 3315 H5 THR A 18 16.639 -5.687 -3.087 1.00 0.07 H HETATM 3316 C THR A 18 16.772 -6.662 -0.902 1.00 0.23 C HETATM 3317 O THR A 18 16.863 -5.894 0.061 1.00 -0.39 O HETATM 3318 N THR A 18 15.668 -7.353 -1.182 1.00 -0.26 N HETATM 3319 CA THR A 18 14.419 -7.117 -0.445 1.00 0.14 C HETATM 3320 CB THR A 18 13.290 -6.869 -1.456 1.00 0.00 C HETATM 3321 CG THR A 18 13.466 -5.639 -2.371 1.00 -0.04 C HETATM 3322 CD1 THR A 18 14.405 -5.462 -3.357 1.00 0.02 C HETATM 3323 NE1 THR A 18 14.214 -4.263 -3.997 1.00 -0.29 N HETATM 3324 CE2 THR A 18 13.135 -3.628 -3.443 1.00 0.06 C HETATM 3325 CD2 THR A 18 12.637 -4.463 -2.401 1.00 -0.02 C HETATM 3326 CE3 THR A 18 11.526 -4.042 -1.659 1.00 -0.07 C HETATM 3327 CZ3 THR A 18 10.948 -2.817 -1.974 1.00 -0.08 C HETATM 3328 CH2 THR A 18 11.465 -2.011 -3.020 1.00 -0.08 C HETATM 3329 CZ2 THR A 18 12.557 -2.402 -3.760 1.00 -0.04 C HETATM 3330 H17 THR A 18 12.951 -1.781 -4.557 1.00 0.05 H HETATM 3331 H19 THR A 18 10.988 -1.063 -3.242 1.00 0.05 H HETATM 3332 H18 THR A 18 10.088 -2.473 -1.411 1.00 0.05 H HETATM 3333 H16 THR A 18 11.127 -4.656 -0.860 1.00 0.05 H HETATM 3334 H15 THR A 18 14.790 -3.899 -4.770 1.00 0.22 H HETATM 3335 H14 THR A 18 15.193 -6.175 -3.598 1.00 0.08 H HETATM 3336 H12 THR A 18 12.354 -6.739 -0.892 1.00 0.04 H HETATM 3337 H13 THR A 18 13.210 -7.759 -2.098 1.00 0.04 H HETATM 3338 C THR A 18 13.873 -8.101 0.595 1.00 0.21 C HETATM 3339 O THR A 18 14.288 -9.251 0.665 1.00 -0.39 O HETATM 3340 N THR A 18 12.954 -7.619 1.436 1.00 -0.26 N HETATM 3341 CA THR A 18 12.267 -8.492 2.390 1.00 0.13 C HETATM 3342 CB THR A 18 12.970 -8.624 3.824 1.00 -0.00 C HETATM 3343 CG2 THR A 18 14.416 -9.099 3.699 1.00 -0.06 C HETATM 3344 H25 THR A 18 14.442 -10.055 3.155 1.00 0.02 H HETATM 3345 H26 THR A 18 14.845 -9.236 4.703 1.00 0.02 H HETATM 3346 H27 THR A 18 15.002 -8.348 3.149 1.00 0.02 H HETATM 3347 CG1 THR A 18 12.924 -7.309 4.571 1.00 -0.05 C HETATM 3348 CD1 THR A 18 11.733 -7.226 5.393 1.00 -0.06 C HETATM 3349 H28 THR A 18 11.721 -6.263 5.925 1.00 0.02 H HETATM 3350 H29 THR A 18 11.733 -8.049 6.123 1.00 0.02 H HETATM 3351 H30 THR A 18 10.841 -7.303 4.754 1.00 0.02 H HETATM 3352 H23 THR A 18 12.920 -6.482 3.846 1.00 0.03 H HETATM 3353 H24 THR A 18 13.813 -7.228 5.214 1.00 0.03 H HETATM 3354 H22 THR A 18 12.413 -9.372 4.407 1.00 0.03 H HETATM 3355 C THR A 18 10.857 -7.938 2.563 1.00 0.20 C HETATM 3356 O THR A 18 10.640 -6.743 2.444 1.00 -0.39 O HETATM 3357 N THR A 18 9.895 -8.822 2.785 1.00 -0.26 N HETATM 3358 CA THR A 18 8.522 -8.403 3.025 1.00 0.13 C HETATM 3359 CB THR A 18 7.553 -9.559 2.792 1.00 -0.00 C HETATM 3360 CG THR A 18 6.705 -9.446 1.545 1.00 0.00 C HETATM 3361 CD THR A 18 7.526 -9.446 0.278 1.00 0.04 C HETATM 3362 OE2 THR A 18 7.310 -10.346 -0.563 1.00 -0.57 O HETATM 3363 OE1 THR A 18 8.381 -8.553 0.107 1.00 -0.57 O HETATM 3364 H35 THR A 18 6.133 -8.508 1.593 1.00 0.04 H HETATM 3365 H36 THR A 18 6.010 -10.298 1.514 1.00 0.04 H HETATM 3366 H33 THR A 18 6.878 -9.617 3.659 1.00 0.03 H HETATM 3367 H34 THR A 18 8.140 -10.486 2.721 1.00 0.03 H HETATM 3368 C THR A 18 8.493 -7.994 4.486 1.00 0.20 C HETATM 3369 O THR A 18 9.192 -8.584 5.304 1.00 -0.39 O HETATM 3370 N THR A 18 7.689 -6.985 4.807 1.00 -0.26 N HETATM 3371 CA THR A 18 7.581 -6.465 6.178 1.00 0.15 C HETATM 3372 CB THR A 18 7.481 -4.931 6.120 1.00 0.08 C HETATM 3373 CG THR A 18 7.350 -4.297 7.476 1.00 0.18 C HETATM 3374 ND2 THR A 18 6.635 -3.192 7.526 1.00 -0.30 N HETATM 3375 H41 THR A 18 6.507 -2.718 8.397 1.00 0.18 H HETATM 3376 H42 THR A 18 6.220 -2.827 6.693 1.00 0.18 H HETATM 3377 OD1 THR A 18 7.904 -4.775 8.464 1.00 -0.40 O HETATM 3378 H39 THR A 18 6.599 -4.660 5.520 1.00 0.06 H HETATM 3379 H40 THR A 18 8.388 -4.539 5.636 1.00 0.06 H HETATM 3380 C THR A 18 6.390 -7.062 6.952 1.00 0.21 C HETATM 3381 O THR A 18 5.293 -6.538 6.913 1.00 -0.39 O HETATM 3382 N THR A 18 6.619 -8.157 7.667 1.00 -0.26 N HETATM 3383 CA THR A 18 5.545 -8.824 8.421 1.00 0.13 C HETATM 3384 CB THR A 18 6.149 -9.930 9.313 1.00 -0.01 C HETATM 3385 CG THR A 18 6.404 -11.291 8.615 1.00 -0.04 C HETATM 3386 CD THR A 18 7.126 -11.165 7.286 1.00 -0.01 C HETATM 3387 CE THR A 18 6.334 -11.848 6.157 1.00 -0.04 C HETATM 3388 NZ THR A 18 4.944 -11.320 5.994 1.00 0.22 N HETATM 3389 H53 THR A 18 4.485 -11.809 5.242 1.00 0.20 H HETATM 3390 H54 THR A 18 4.981 -10.335 5.781 1.00 0.20 H HETATM 3391 H55 THR A 18 4.429 -11.460 6.849 1.00 0.20 H HETATM 3392 H51 THR A 18 6.273 -12.924 6.377 1.00 0.08 H HETATM 3393 H52 THR A 18 6.876 -11.697 5.212 1.00 0.08 H HETATM 3394 H49 THR A 18 8.115 -11.639 7.368 1.00 0.03 H HETATM 3395 H50 THR A 18 7.249 -10.099 7.044 1.00 0.03 H HETATM 3396 H47 THR A 18 5.434 -11.779 8.439 1.00 0.03 H HETATM 3397 H48 THR A 18 7.013 -11.916 9.284 1.00 0.03 H HETATM 3398 H45 THR A 18 5.458 -10.104 10.151 1.00 0.03 H HETATM 3399 H46 THR A 18 7.111 -9.564 9.701 1.00 0.03 H HETATM 3400 C THR A 18 4.692 -7.860 9.271 1.00 0.20 C HETATM 3401 O THR A 18 3.482 -8.049 9.417 1.00 -0.39 O HETATM 3402 N THR A 18 5.330 -6.820 9.804 1.00 -0.26 N HETATM 3403 CA THR A 18 4.679 -5.825 10.654 1.00 0.13 C HETATM 3404 CB THR A 18 5.765 -4.919 11.255 1.00 -0.01 C HETATM 3405 CG THR A 18 5.525 -4.190 12.568 1.00 -0.04 C HETATM 3406 CD1 THR A 18 5.126 -2.775 12.265 1.00 -0.06 C HETATM 3407 H61 THR A 18 4.949 -2.234 13.207 1.00 0.02 H HETATM 3408 H62 THR A 18 4.205 -2.775 11.663 1.00 0.02 H HETATM 3409 H63 THR A 18 5.931 -2.279 11.704 1.00 0.02 H HETATM 3410 CD2 THR A 18 4.485 -4.915 13.424 1.00 -0.06 C HETATM 3411 H64 THR A 18 4.822 -5.944 13.618 1.00 0.02 H HETATM 3412 H65 THR A 18 3.523 -4.939 12.891 1.00 0.02 H HETATM 3413 H66 THR A 18 4.362 -4.384 14.379 1.00 0.02 H HETATM 3414 H60 THR A 18 6.469 -4.169 13.133 1.00 0.03 H HETATM 3415 H58 THR A 18 5.984 -4.147 10.502 1.00 0.03 H HETATM 3416 H59 THR A 18 6.654 -5.549 11.403 1.00 0.03 H HETATM 3417 C THR A 18 3.640 -4.997 9.897 1.00 0.20 C HETATM 3418 O THR A 18 3.005 -4.116 10.452 1.00 -0.39 O HETATM 3419 N THR A 18 3.467 -5.304 8.622 1.00 -0.26 N HETATM 3420 CA THR A 18 2.538 -4.587 7.775 1.00 0.14 C HETATM 3421 CB THR A 18 2.828 -4.910 6.321 1.00 0.02 C HETATM 3422 CG THR A 18 2.072 -4.005 5.424 1.00 -0.05 C HETATM 3423 CD1 THR A 18 2.494 -2.687 5.262 1.00 -0.07 C HETATM 3424 CE1 THR A 18 1.718 -1.772 4.601 1.00 -0.04 C HETATM 3425 CZ THR A 18 0.502 -2.163 4.090 1.00 0.08 C HETATM 3426 CE2 THR A 18 0.043 -3.480 4.207 1.00 -0.04 C HETATM 3427 CD2 THR A 18 0.838 -4.392 4.875 1.00 -0.07 C HETATM 3428 H72 THR A 18 0.505 -5.419 4.977 1.00 0.05 H HETATM 3429 H74 THR A 18 -0.910 -3.777 3.785 1.00 0.05 H HETATM 3430 OH THR A 18 -0.254 -1.193 3.519 1.00 -0.34 O HETATM 3431 H75 THR A 18 0.224 -0.372 3.531 1.00 0.25 H HETATM 3432 H73 THR A 18 2.059 -0.750 4.482 1.00 0.05 H HETATM 3433 H71 THR A 18 3.452 -2.381 5.666 1.00 0.05 H HETATM 3434 H69 THR A 18 2.534 -5.950 6.116 1.00 0.05 H HETATM 3435 H70 THR A 18 3.905 -4.789 6.132 1.00 0.05 H HETATM 3436 C THR A 18 1.047 -4.819 8.025 1.00 0.21 C HETATM 3437 O THR A 18 0.527 -5.906 7.783 1.00 -0.39 O HETATM 3438 N THR A 18 0.359 -3.776 8.474 1.00 -0.27 N HETATM 3439 CA THR A 18 -1.063 -3.875 8.725 1.00 0.12 C HETATM 3440 C THR A 18 -1.435 -4.340 10.118 1.00 0.20 C HETATM 3441 O THR A 18 -2.582 -4.714 10.345 1.00 -0.39 O HETATM 3442 N THR A 18 -0.489 -4.322 11.058 1.00 -0.26 N HETATM 3443 CA THR A 18 -0.784 -4.751 12.430 1.00 0.14 C HETATM 3444 CB THR A 18 0.325 -5.671 12.951 1.00 -0.00 C HETATM 3445 CG THR A 18 0.757 -6.748 11.988 1.00 -0.00 C HETATM 3446 SD THR A 18 1.331 -8.218 12.835 1.00 -0.16 S HETATM 3447 CE THR A 18 3.129 -7.924 12.965 1.00 -0.02 C HETATM 3448 H85 THR A 18 3.603 -8.774 13.477 1.00 0.03 H HETATM 3449 H86 THR A 18 3.309 -7.003 13.539 1.00 0.03 H HETATM 3450 H87 THR A 18 3.557 -7.818 11.957 1.00 0.03 H HETATM 3451 H83 THR A 18 1.573 -6.358 11.362 1.00 0.04 H HETATM 3452 H84 THR A 18 -0.098 -7.017 11.350 1.00 0.04 H HETATM 3453 H81 THR A 18 -0.037 -6.158 13.869 1.00 0.03 H HETATM 3454 H82 THR A 18 1.202 -5.050 13.186 1.00 0.03 H HETATM 3455 C THR A 18 -0.941 -3.569 13.417 1.00 0.26 C HETATM 3456 O THR A 18 -2.084 -3.090 13.675 1.00 -0.37 O HETATM 3457 O1 THR A 18 0.136 -3.051 14.000 1.00 -0.29 O HETATM 3458 H88 THR A 18 0.056 -3.135 14.943 1.00 0.25 H HETATM 3459 H80 THR A 18 -1.730 -5.312 12.412 1.00 0.08 H HETATM 3460 H79 THR A 18 0.433 -4.012 10.825 1.00 0.19 H HETATM 3461 H77 THR A 18 -1.489 -4.587 8.002 1.00 0.08 H HETATM 3462 H78 THR A 18 -1.508 -2.881 8.566 1.00 0.08 H HETATM 3463 H76 THR A 18 0.830 -2.910 8.641 1.00 0.19 H HETATM 3464 H68 THR A 18 2.726 -3.515 7.937 1.00 0.08 H HETATM 3465 H67 THR A 18 3.996 -6.057 8.230 1.00 0.19 H HETATM 3466 H57 THR A 18 4.163 -6.350 11.472 1.00 0.08 H HETATM 3467 H56 THR A 18 6.306 -6.714 9.613 1.00 0.19 H HETATM 3468 H44 THR A 18 4.874 -9.300 7.691 1.00 0.08 H HETATM 3469 H43 THR A 18 7.543 -8.538 7.694 1.00 0.19 H HETATM 3470 H38 THR A 18 8.500 -6.735 6.719 1.00 0.08 H HETATM 3471 H37 THR A 18 7.136 -6.563 4.088 1.00 0.19 H HETATM 3472 H32 THR A 18 8.254 -7.557 2.375 1.00 0.08 H HETATM 3473 H31 THR A 18 10.117 -9.797 2.788 1.00 0.19 H HETATM 3474 H21 THR A 18 12.210 -9.500 1.953 1.00 0.08 H HETATM 3475 H20 THR A 18 12.731 -6.644 1.414 1.00 0.19 H HETATM 3476 H11 THR A 18 14.592 -6.182 0.107 1.00 0.08 H HETATM 3477 H10 THR A 18 15.690 -8.043 -1.905 1.00 0.19 H HETATM 3478 H4 THR A 18 18.818 -6.294 -1.394 1.00 0.11 H HETATM 3479 H1 THR A 18 19.204 -8.399 -2.426 1.00 0.20 H HETATM 3480 H2 THR A 18 17.649 -8.872 -2.170 1.00 0.20 H HETATM 3481 H3 THR A 18 18.646 -8.598 -0.890 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1662 1663 1668 1669 1670 CONECT 1668 1662 CONECT 1669 1662 CONECT 1670 1662 CONECT 3306 3307 3479 3480 3481 CONECT 3307 3306 3308 3316 3478 CONECT 3308 3307 3309 3313 3315 CONECT 3309 3308 3310 3311 3312 CONECT 3310 3309 CONECT 3311 3309 CONECT 3312 3309 CONECT 3313 3308 3314 CONECT 3314 3313 CONECT 3315 3308 CONECT 3316 3307 3317 3318 CONECT 3317 3316 CONECT 3318 3316 3319 3477 CONECT 3319 3318 3320 3338 3476 CONECT 3320 3319 3321 3336 3337 CONECT 3321 3320 3322 3325 CONECT 3322 3321 3323 3335 CONECT 3323 3322 3324 3334 CONECT 3324 3323 3325 3329 CONECT 3325 3321 3324 3326 CONECT 3326 3325 3327 3333 CONECT 3327 3326 3328 3332 CONECT 3328 3327 3329 3331 CONECT 3329 3324 3328 3330 CONECT 3330 3329 CONECT 3331 3328 CONECT 3332 3327 CONECT 3333 3326 CONECT 3334 3323 CONECT 3335 3322 CONECT 3336 3320 CONECT 3337 3320 CONECT 3338 3319 3339 3340 CONECT 3339 3338 CONECT 3340 3338 3341 3475 CONECT 3341 3340 3342 3355 3474 CONECT 3342 3341 3343 3347 3354 CONECT 3343 3342 3344 3345 3346 CONECT 3344 3343 CONECT 3345 3343 CONECT 3346 3343 CONECT 3347 3342 3348 3352 3353 CONECT 3348 3347 3349 3350 3351 CONECT 3349 3348 CONECT 3350 3348 CONECT 3351 3348 CONECT 3352 3347 CONECT 3353 3347 CONECT 3354 3342 CONECT 3355 3341 3356 3357 CONECT 3356 3355 CONECT 3357 3355 3358 3473 CONECT 3358 3357 3359 3368 3472 CONECT 3359 3358 3360 3366 3367 CONECT 3360 3359 3361 3364 3365 CONECT 3361 3360 3362 3363 CONECT 3362 3361 CONECT 3363 3361 CONECT 3364 3360 CONECT 3365 3360 CONECT 3366 3359 CONECT 3367 3359 CONECT 3368 3358 3369 3370 CONECT 3369 3368 CONECT 3370 3368 3371 3471 CONECT 3371 3370 3372 3380 3470 CONECT 3372 3371 3373 3378 3379 CONECT 3373 3372 3374 3377 CONECT 3374 3373 3375 3376 CONECT 3375 3374 CONECT 3376 3374 CONECT 3377 3373 CONECT 3378 3372 CONECT 3379 3372 CONECT 3380 3371 3381 3382 CONECT 3381 3380 CONECT 3382 3380 3383 3469 CONECT 3383 3382 3384 3400 3468 CONECT 3384 3383 3385 3398 3399 CONECT 3385 3384 3386 3396 3397 CONECT 3386 3385 3387 3394 3395 CONECT 3387 3386 3388 3392 3393 CONECT 3388 3387 3389 3390 3391 CONECT 3389 3388 CONECT 3390 3388 CONECT 3391 3388 CONECT 3392 3387 CONECT 3393 3387 CONECT 3394 3386 CONECT 3395 3386 CONECT 3396 3385 CONECT 3397 3385 CONECT 3398 3384 CONECT 3399 3384 CONECT 3400 3383 3401 3402 CONECT 3401 3400 CONECT 3402 3400 3403 3467 CONECT 3403 3402 3404 3417 3466 CONECT 3404 3403 3405 3415 3416 CONECT 3405 3404 3406 3410 3414 CONECT 3406 3405 3407 3408 3409 CONECT 3407 3406 CONECT 3408 3406 CONECT 3409 3406 CONECT 3410 3405 3411 3412 3413 CONECT 3411 3410 CONECT 3412 3410 CONECT 3413 3410 CONECT 3414 3405 CONECT 3415 3404 CONECT 3416 3404 CONECT 3417 3403 3418 3419 CONECT 3418 3417 CONECT 3419 3417 3420 3465 CONECT 3420 3419 3421 3436 3464 CONECT 3421 3420 3422 3434 3435 CONECT 3422 3421 3423 3427 CONECT 3423 3422 3424 3433 CONECT 3424 3423 3425 3432 CONECT 3425 3424 3426 3430 CONECT 3426 3425 3427 3429 CONECT 3427 3422 3426 3428 CONECT 3428 3427 CONECT 3429 3426 CONECT 3430 3425 3431 CONECT 3431 3430 CONECT 3432 3424 CONECT 3433 3423 CONECT 3434 3421 CONECT 3435 3421 CONECT 3436 3420 3437 3438 CONECT 3437 3436 CONECT 3438 3436 3439 3463 CONECT 3439 3438 3440 3461 3462 CONECT 3440 3439 3441 3442 CONECT 3441 3440 CONECT 3442 3440 3443 3460 CONECT 3443 3442 3444 3455 3459 CONECT 3444 3443 3445 3453 3454 CONECT 3445 3444 3446 3451 3452 CONECT 3446 3445 3447 CONECT 3447 3446 3448 3449 3450 CONECT 3448 3447 CONECT 3449 3447 CONECT 3450 3447 CONECT 3451 3445 CONECT 3452 3445 CONECT 3453 3444 CONECT 3454 3444 CONECT 3455 3443 3456 3457 CONECT 3456 3455 CONECT 3457 3455 3458 CONECT 3458 3457 CONECT 3459 3443 CONECT 3460 3442 CONECT 3461 3439 CONECT 3462 3439 CONECT 3463 3438 CONECT 3464 3420 CONECT 3465 3419 CONECT 3466 3403 CONECT 3467 3402 CONECT 3468 3383 CONECT 3469 3382 CONECT 3470 3371 CONECT 3471 3370 CONECT 3472 3358 CONECT 3473 3357 CONECT 3474 3341 CONECT 3475 3340 CONECT 3476 3319 CONECT 3477 3318 CONECT 3478 3307 CONECT 3479 3306 CONECT 3480 3306 CONECT 3481 3306 MASTER 0 0 0 0 0 0 0 0 3479 2 184 17 END
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Entry Information
PDB ID
1uef
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Dock 1 PTB domain
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
Kd=3.2uM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
(2004) J.Biol.Chem. Vol. 279: pp. 4962-4969
Ligand Properties
Formula
C
5
8
H
8
9
N
1
3
O
1
6
S
Molecular Weight
1256.470
Exact Mass
1255.630
No. of atoms
177
No. of bonds
179
Polar Surface Area
516.42
LOGP Value
-3.17 (
Computed with XLOGP3
)
0.95 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 51
No. of Nitrogen and Oxygen Atoms: 29
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCSC)Cc1ccc(cc1)O)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)[NH3+])Cc1c[nH]c2c1cccc2)CCC(=O)O)CC(=O)N
InChI String
InChI=1S/C58H87N13O16S/c1-7-31(4)49(71-55(83)43(70-56(84)48(61)32(5)72)26-34-28-62-37-13-9-8-12-36(34)37)57(85)66-39(19-20-47(76)77)52(80)69-44(27-45(60)74)54(82)65-38(14-10-11-22-59)51(79)67-41(24-30(2)3)53(81)68-42(25-33-15-17-35(73)18-16-33)50(78)63-29-46(75)64-40(58(86)87)21-23-88-6/h8-9,12-13,15-18,28,30-32,38-44,48-49,62,72-73H,7,10-11,14,19-27,29,59,61H2,1-6H3,(H2,60,74)(H,63,78)(H,64,75)(H,65,82)(H,66,85)(H,67,79)(H,68,81)(H,69,80)(H,70,84)(H,71,83)(H,76,77)(H,86,87)/p+2/t31-,32+,38-,39-,40-,41-,42-,43-,44-,48-,49-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P35546
P97465
Entrez Gene ID
NCBI Entrez Gene ID:
19713
13448
ASD
Information of known allosteric effects of PDB entries
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