Browse entries in the PDBbind-CN Database
HEADER 3BVA_COMPLEX COMPND 3BVA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASN THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL ILE GLU GLU MET SER LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE ILE ILE GLU SEQRES 6 A 99 ILE ALA GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY ALA THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASN THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL ILE GLU GLU MET SER LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE ILE ILE GLU SEQRES 6 B 99 ILE ALA GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY ALA THR LEU ASN PHE HET UNN A 433 123 ATOM 1 N PRO A 1 0.807 40.046 17.563 1.00 29.13 N ATOM 2 CA PRO A 1 -0.091 38.992 18.056 1.00 21.27 C ATOM 3 C PRO A 1 0.463 38.381 19.347 1.00 19.43 C ATOM 4 O PRO A 1 1.621 38.575 19.699 1.00 20.92 O ATOM 5 CB PRO A 1 -0.157 37.977 16.903 1.00 29.66 C ATOM 6 CG PRO A 1 0.963 38.312 15.990 1.00 42.22 C ATOM 7 CD PRO A 1 1.211 39.799 16.158 1.00 42.66 C ATOM 8 HA PRO A 1 -1.085 39.357 18.315 1.00 0.00 H ATOM 9 HD3 PRO A 1 2.262 40.041 16.004 1.00 0.00 H ATOM 10 HD2 PRO A 1 0.600 40.379 15.466 1.00 0.00 H ATOM 11 HG3 PRO A 1 0.691 38.087 14.959 1.00 0.00 H ATOM 12 HG2 PRO A 1 1.855 37.746 16.261 1.00 0.00 H ATOM 13 HB2 PRO A 1 -0.042 36.963 17.285 1.00 0.00 H ATOM 14 HB3 PRO A 1 -1.109 38.061 16.380 1.00 0.00 H ATOM 15 N GLN A 2 -0.426 37.662 20.015 1.00 15.76 N ATOM 16 CA GLN A 2 -0.058 36.791 21.122 1.00 13.45 C ATOM 17 C GLN A 2 -0.199 35.370 20.560 1.00 15.78 C ATOM 18 O GLN A 2 -1.280 35.003 20.053 1.00 21.63 O ATOM 19 CB GLN A 2 -0.938 36.969 22.319 1.00 16.51 C ATOM 20 CG GLN A 2 -0.640 35.868 23.415 1.00 21.05 C ATOM 21 CD GLN A 2 -1.262 36.251 24.747 1.00 31.97 C ATOM 22 OE1 GLN A 2 -2.290 35.683 25.135 1.00 33.67 O ATOM 23 NE2 GLN A 2 -0.605 37.198 25.400 1.00 26.97 N ATOM 24 HA GLN A 2 0.949 37.016 21.474 1.00 0.00 H ATOM 25 HB2 GLN A 2 -0.761 37.955 22.748 1.00 0.00 H ATOM 26 HB3 GLN A 2 -1.980 36.891 22.010 1.00 0.00 H ATOM 27 HG2 GLN A 2 -1.055 34.915 23.087 1.00 0.00 H ATOM 28 HG3 GLN A 2 0.438 35.769 23.539 1.00 0.00 H ATOM 29 HE22 GLN A 2 0.254 37.615 24.987 1.00 0.00 H ATOM 30 HE21 GLN A 2 -0.948 37.525 26.326 1.00 0.00 H ATOM 31 H GLN A 2 -1.427 37.722 19.738 1.00 0.00 H ATOM 32 N ILE A 3 0.868 34.632 20.631 1.00 11.53 N ATOM 33 CA ILE A 3 0.905 33.263 20.088 1.00 11.89 C ATOM 34 C ILE A 3 1.034 32.307 21.272 1.00 10.46 C ATOM 35 O ILE A 3 2.008 32.326 21.990 1.00 10.40 O ATOM 36 CB ILE A 3 2.041 33.070 19.065 1.00 14.48 C ATOM 37 CG1 ILE A 3 1.846 34.040 17.867 1.00 20.61 C ATOM 38 CG2 ILE A 3 2.191 31.635 18.578 1.00 16.60 C ATOM 39 CD1 ILE A 3 3.090 34.083 16.992 1.00 27.18 C ATOM 40 HA ILE A 3 -0.012 33.058 19.536 1.00 0.00 H ATOM 41 HB ILE A 3 2.970 33.304 19.584 1.00 0.00 H ATOM 42 HG12 ILE A 3 1.000 33.702 17.268 1.00 0.00 H ATOM 43 HG13 ILE A 3 1.643 35.041 18.248 1.00 0.00 H ATOM 44 HD11 ILE A 3 3.938 34.425 17.585 1.00 0.00 H ATOM 45 HD12 ILE A 3 3.295 33.085 16.605 1.00 0.00 H ATOM 46 HD13 ILE A 3 2.925 34.770 16.162 1.00 0.00 H ATOM 47 HG21 ILE A 3 2.405 30.985 19.427 1.00 0.00 H ATOM 48 HG22 ILE A 3 1.265 31.317 18.099 1.00 0.00 H ATOM 49 HG23 ILE A 3 3.010 31.580 17.861 1.00 0.00 H ATOM 50 H ILE A 3 1.720 35.019 21.084 1.00 0.00 H ATOM 51 N THR A 4 -0.004 31.487 21.488 1.00 11.79 N ATOM 52 CA THR A 4 0.043 30.443 22.468 1.00 10.79 C ATOM 53 C THR A 4 0.864 29.266 21.918 1.00 9.20 C ATOM 54 O THR A 4 1.213 29.208 20.737 1.00 11.60 O ATOM 55 CB THR A 4 -1.339 29.985 22.937 1.00 12.43 C ATOM 56 OG1 THR A 4 -2.065 29.486 21.799 1.00 15.48 O ATOM 57 CG2 THR A 4 -2.088 31.170 23.529 1.00 16.01 C ATOM 58 HA THR A 4 0.528 30.849 23.355 1.00 0.00 H ATOM 59 HB THR A 4 -1.240 29.205 23.692 1.00 0.00 H ATOM 60 HG1 THR A 4 -1.572 28.724 21.403 1.00 0.00 H ATOM 61 HG23 THR A 4 -1.540 31.550 24.391 1.00 0.00 H ATOM 62 HG21 THR A 4 -2.176 31.955 22.778 1.00 0.00 H ATOM 63 HG22 THR A 4 -3.083 30.851 23.840 1.00 0.00 H ATOM 64 H THR A 4 -0.871 31.613 20.927 1.00 0.00 H ATOM 65 N LEU A 5 1.184 28.344 22.809 1.00 8.86 N ATOM 66 CA LEU A 5 2.172 27.291 22.491 1.00 7.75 C ATOM 67 C LEU A 5 1.611 25.903 22.563 1.00 7.45 C ATOM 68 O LEU A 5 2.310 24.917 22.609 1.00 7.53 O ATOM 69 CB LEU A 5 3.423 27.471 23.349 1.00 8.03 C ATOM 70 CG LEU A 5 4.185 28.792 23.086 1.00 8.56 C ATOM 71 CD1 LEU A 5 5.223 28.993 24.172 1.00 11.05 C ATOM 72 CD2 LEU A 5 4.795 28.823 21.690 1.00 9.79 C ATOM 73 HA LEU A 5 2.455 27.413 21.446 1.00 0.00 H ATOM 74 HB2 LEU A 5 3.125 27.450 24.397 1.00 0.00 H ATOM 75 HB3 LEU A 5 4.099 26.640 23.148 1.00 0.00 H ATOM 76 HG LEU A 5 3.481 29.624 23.121 1.00 0.00 H ATOM 77 HD21 LEU A 5 5.496 27.995 21.583 1.00 0.00 H ATOM 78 HD22 LEU A 5 4.003 28.729 20.947 1.00 0.00 H ATOM 79 HD23 LEU A 5 5.321 29.767 21.546 1.00 0.00 H ATOM 80 HD11 LEU A 5 4.728 29.042 25.142 1.00 0.00 H ATOM 81 HD12 LEU A 5 5.923 28.158 24.163 1.00 0.00 H ATOM 82 HD13 LEU A 5 5.762 29.923 23.990 1.00 0.00 H ATOM 83 H LEU A 5 0.735 28.359 23.747 1.00 0.00 H ATOM 84 N TRP A 6 0.274 25.815 22.469 1.00 8.39 N ATOM 85 CA TRP A 6 -0.411 24.543 22.405 1.00 8.97 C ATOM 86 C TRP A 6 -0.044 23.778 21.158 1.00 9.44 C ATOM 87 O TRP A 6 -0.020 22.561 21.190 1.00 13.33 O ATOM 88 CB TRP A 6 -1.932 24.742 22.439 1.00 10.36 C ATOM 89 CG TRP A 6 -2.440 25.443 23.655 1.00 9.54 C ATOM 90 CD1 TRP A 6 -3.006 26.700 23.689 1.00 12.15 C ATOM 91 CD2 TRP A 6 -2.444 24.940 24.992 1.00 10.34 C ATOM 92 NE1 TRP A 6 -3.369 27.011 24.981 1.00 13.80 N ATOM 93 CE2 TRP A 6 -3.049 25.953 25.781 1.00 13.22 C ATOM 94 CE3 TRP A 6 -2.058 23.745 25.581 1.00 11.77 C ATOM 95 CZ2 TRP A 6 -3.232 25.812 27.168 1.00 18.43 C ATOM 96 CZ3 TRP A 6 -2.248 23.595 26.948 1.00 15.00 C ATOM 97 CH2 TRP A 6 -2.829 24.622 27.681 1.00 18.45 C ATOM 98 HA TRP A 6 -0.097 23.968 23.276 1.00 0.00 H ATOM 99 HB2 TRP A 6 -2.218 25.327 21.565 1.00 0.00 H ATOM 100 HB3 TRP A 6 -2.405 23.761 22.389 1.00 0.00 H ATOM 101 HE1 TRP A 6 -3.811 27.899 25.293 1.00 0.00 H ATOM 102 HD1 TRP A 6 -3.145 27.349 22.825 1.00 0.00 H ATOM 103 HZ2 TRP A 6 -3.665 26.599 27.785 1.00 0.00 H ATOM 104 HH2 TRP A 6 -2.972 24.460 28.749 1.00 0.00 H ATOM 105 HZ3 TRP A 6 -1.942 22.674 27.445 1.00 0.00 H ATOM 106 HE3 TRP A 6 -1.617 22.945 24.986 1.00 0.00 H ATOM 107 H TRP A 6 -0.287 26.690 22.441 1.00 0.00 H ATOM 108 N LYS A 7 0.273 24.467 20.058 1.00 9.39 N ATOM 109 CA LYS A 7 0.686 23.908 18.798 1.00 10.87 C ATOM 110 C LYS A 7 2.032 24.550 18.418 1.00 8.96 C ATOM 111 O LYS A 7 2.424 25.568 18.960 1.00 9.02 O ATOM 112 CB LYS A 7 -0.353 24.200 17.684 1.00 17.54 C ATOM 113 CG LYS A 7 -1.807 24.066 18.074 1.00 18.47 C ATOM 114 CD LYS A 7 -2.295 22.650 18.250 1.00 31.69 C ATOM 115 CE LYS A 7 -3.782 22.496 17.998 1.00 35.30 C ATOM 116 NZ LYS A 7 -4.554 23.374 18.927 1.00 43.83 N ATOM 117 HA LYS A 7 0.776 22.826 18.895 1.00 0.00 H ATOM 118 HB2 LYS A 7 -0.194 25.222 17.340 1.00 0.00 H ATOM 119 HB3 LYS A 7 -0.164 23.508 16.863 1.00 0.00 H ATOM 120 HG2 LYS A 7 -1.954 24.594 19.016 1.00 0.00 H ATOM 121 HG3 LYS A 7 -2.410 24.537 17.298 1.00 0.00 H ATOM 122 HD2 LYS A 7 -1.757 22.008 17.552 1.00 0.00 H ATOM 123 HD3 LYS A 7 -2.082 22.334 19.271 1.00 0.00 H ATOM 124 HE2 LYS A 7 -4.070 21.457 18.161 1.00 0.00 H ATOM 125 HE3 LYS A 7 -4.004 22.776 16.968 1.00 0.00 H ATOM 126 HZ1 LYS A 7 -4.344 23.106 19.910 1.00 0.00 H ATOM 127 HZ2 LYS A 7 -4.282 24.366 18.771 1.00 0.00 H ATOM 128 HZ3 LYS A 7 -5.572 23.260 18.745 1.00 0.00 H ATOM 129 H LYS A 7 0.216 25.504 20.118 1.00 0.00 H ATOM 130 N ARG A 8 2.709 23.970 17.419 1.00 9.09 N ATOM 131 CA ARG A 8 3.948 24.609 16.927 1.00 8.97 C ATOM 132 C ARG A 8 3.674 26.015 16.441 1.00 8.99 C ATOM 133 O ARG A 8 2.677 26.221 15.703 1.00 10.18 O ATOM 134 CB ARG A 8 4.514 23.770 15.787 1.00 9.89 C ATOM 135 CG ARG A 8 5.040 22.440 16.212 1.00 11.29 C ATOM 136 CD ARG A 8 5.430 21.537 15.082 1.00 14.83 C ATOM 137 NE ARG A 8 5.923 20.220 15.588 1.00 14.04 N ATOM 138 CZ ARG A 8 5.936 19.104 14.886 1.00 15.98 C ATOM 139 NH1 ARG A 8 5.485 19.044 13.634 1.00 25.54 N ATOM 140 NH2 ARG A 8 6.403 17.997 15.415 1.00 22.90 N ATOM 141 HA ARG A 8 4.667 24.668 17.744 1.00 0.00 H ATOM 142 HB2 ARG A 8 3.722 23.607 15.056 1.00 0.00 H ATOM 143 HB3 ARG A 8 5.327 24.327 15.322 1.00 0.00 H ATOM 144 HG2 ARG A 8 5.919 22.604 16.836 1.00 0.00 H ATOM 145 HG3 ARG A 8 4.269 21.940 16.798 1.00 0.00 H ATOM 146 HD2 ARG A 8 6.220 22.014 14.502 1.00 0.00 H ATOM 147 HD3 ARG A 8 4.562 21.371 14.444 1.00 0.00 H ATOM 148 HE ARG A 8 6.281 20.181 16.564 1.00 0.00 H ATOM 149 HH12 ARG A 8 5.513 18.144 13.114 1.00 0.00 H ATOM 150 HH11 ARG A 8 5.105 19.897 13.177 1.00 0.00 H ATOM 151 HH22 ARG A 8 6.412 17.118 14.859 1.00 0.00 H ATOM 152 HH21 ARG A 8 6.764 17.999 16.390 1.00 0.00 H ATOM 153 H ARG A 8 2.368 23.083 16.996 1.00 0.00 H ATOM 154 N PRO A 9 4.494 26.997 16.787 1.00 8.71 N ATOM 155 CA PRO A 9 4.251 28.398 16.357 1.00 9.29 C ATOM 156 C PRO A 9 4.795 28.676 14.950 1.00 9.18 C ATOM 157 O PRO A 9 5.883 29.160 14.715 1.00 9.67 O ATOM 158 CB PRO A 9 5.014 29.213 17.426 1.00 10.28 C ATOM 159 CG PRO A 9 6.141 28.294 17.788 1.00 10.51 C ATOM 160 CD PRO A 9 5.588 26.880 17.799 1.00 9.01 C ATOM 161 HA PRO A 9 3.191 28.644 16.290 1.00 0.00 H ATOM 162 HD3 PRO A 9 6.340 26.153 17.494 1.00 0.00 H ATOM 163 HD2 PRO A 9 5.199 26.609 18.781 1.00 0.00 H ATOM 164 HG3 PRO A 9 6.529 28.550 18.774 1.00 0.00 H ATOM 165 HG2 PRO A 9 6.940 28.376 17.052 1.00 0.00 H ATOM 166 HB2 PRO A 9 5.386 30.151 17.015 1.00 0.00 H ATOM 167 HB3 PRO A 9 4.382 29.421 18.289 1.00 0.00 H ATOM 168 N LEU A 10 3.954 28.325 14.000 1.00 10.50 N ATOM 169 CA LEU A 10 4.224 28.474 12.579 1.00 10.69 C ATOM 170 C LEU A 10 3.594 29.706 12.061 1.00 10.91 C ATOM 171 O LEU A 10 2.455 30.028 12.365 1.00 15.61 O ATOM 172 CB LEU A 10 3.635 27.280 11.813 1.00 13.23 C ATOM 173 CG LEU A 10 4.263 25.931 12.211 1.00 16.86 C ATOM 174 CD1 LEU A 10 3.479 24.816 11.536 1.00 24.49 C ATOM 175 CD2 LEU A 10 5.735 25.870 11.925 1.00 23.05 C ATOM 176 HA LEU A 10 5.304 28.524 12.440 1.00 0.00 H ATOM 177 HB2 LEU A 10 2.564 27.235 12.012 1.00 0.00 H ATOM 178 HB3 LEU A 10 3.799 27.437 10.747 1.00 0.00 H ATOM 179 HG LEU A 10 4.193 25.807 13.292 1.00 0.00 H ATOM 180 HD21 LEU A 10 5.903 26.015 10.858 1.00 0.00 H ATOM 181 HD22 LEU A 10 6.245 26.654 12.484 1.00 0.00 H ATOM 182 HD23 LEU A 10 6.122 24.897 12.226 1.00 0.00 H ATOM 183 HD11 LEU A 10 2.440 24.854 11.863 1.00 0.00 H ATOM 184 HD12 LEU A 10 3.525 24.944 10.455 1.00 0.00 H ATOM 185 HD13 LEU A 10 3.912 23.853 11.808 1.00 0.00 H ATOM 186 H LEU A 10 3.041 27.916 14.283 1.00 0.00 H ATOM 187 N VAL A 11 4.387 30.422 11.251 1.00 9.64 N ATOM 188 CA VAL A 11 3.898 31.637 10.613 1.00 10.82 C ATOM 189 C VAL A 11 4.272 31.626 9.132 1.00 9.60 C ATOM 190 O VAL A 11 5.190 30.914 8.716 1.00 10.91 O ATOM 191 CB VAL A 11 4.432 32.894 11.273 1.00 13.52 C ATOM 192 CG1 VAL A 11 3.998 32.989 12.741 1.00 15.41 C ATOM 193 CG2 VAL A 11 5.935 32.960 11.139 1.00 14.90 C ATOM 194 HA VAL A 11 2.814 31.652 10.725 1.00 0.00 H ATOM 195 HB VAL A 11 4.004 33.754 10.758 1.00 0.00 H ATOM 196 HG11 VAL A 11 2.910 33.006 12.796 1.00 0.00 H ATOM 197 HG12 VAL A 11 4.377 32.125 13.287 1.00 0.00 H ATOM 198 HG13 VAL A 11 4.400 33.903 13.179 1.00 0.00 H ATOM 199 HG21 VAL A 11 6.380 32.089 11.620 1.00 0.00 H ATOM 200 HG22 VAL A 11 6.204 32.971 10.083 1.00 0.00 H ATOM 201 HG23 VAL A 11 6.302 33.868 11.618 1.00 0.00 H ATOM 202 H VAL A 11 5.362 30.106 11.076 1.00 0.00 H ATOM 203 N THR A 12 3.607 32.483 8.382 1.00 10.85 N ATOM 204 CA THR A 12 3.989 32.683 6.984 1.00 11.67 C ATOM 205 C THR A 12 5.072 33.739 6.916 1.00 10.48 C ATOM 206 O THR A 12 4.980 34.797 7.549 1.00 12.63 O ATOM 207 CB THR A 12 2.764 33.127 6.132 1.00 14.94 C ATOM 208 OG1 THR A 12 1.743 32.147 6.289 1.00 19.76 O ATOM 209 CG2 THR A 12 3.158 33.306 4.671 1.00 17.56 C ATOM 210 HA THR A 12 4.359 31.741 6.579 1.00 0.00 H ATOM 211 HB THR A 12 2.393 34.094 6.472 1.00 0.00 H ATOM 212 HG1 THR A 12 0.951 32.408 5.755 1.00 0.00 H ATOM 213 HG23 THR A 12 3.939 34.062 4.597 1.00 0.00 H ATOM 214 HG21 THR A 12 3.528 32.359 4.277 1.00 0.00 H ATOM 215 HG22 THR A 12 2.287 33.624 4.097 1.00 0.00 H ATOM 216 H THR A 12 2.811 33.017 8.785 1.00 0.00 H ATOM 217 N ILE A 13 6.057 33.490 6.103 1.00 9.73 N ATOM 218 CA ILE A 13 7.121 34.426 5.825 1.00 10.07 C ATOM 219 C ILE A 13 7.210 34.660 4.300 1.00 9.74 C ATOM 220 O ILE A 13 6.719 33.887 3.515 1.00 11.27 O ATOM 221 CB ILE A 13 8.486 33.927 6.356 1.00 10.41 C ATOM 222 CG1 ILE A 13 9.038 32.742 5.576 1.00 11.38 C ATOM 223 CG2 ILE A 13 8.346 33.603 7.848 1.00 10.83 C ATOM 224 CD1 ILE A 13 10.450 32.365 5.877 1.00 11.53 C ATOM 225 HA ILE A 13 6.890 35.359 6.339 1.00 0.00 H ATOM 226 HB ILE A 13 9.216 34.724 6.216 1.00 0.00 H ATOM 227 HG12 ILE A 13 8.408 31.878 5.790 1.00 0.00 H ATOM 228 HG13 ILE A 13 8.975 32.982 4.515 1.00 0.00 H ATOM 229 HD11 ILE A 13 11.105 33.207 5.655 1.00 0.00 H ATOM 230 HD12 ILE A 13 10.538 32.103 6.931 1.00 0.00 H ATOM 231 HD13 ILE A 13 10.735 31.510 5.264 1.00 0.00 H ATOM 232 HG21 ILE A 13 8.045 34.501 8.387 1.00 0.00 H ATOM 233 HG22 ILE A 13 7.591 32.828 7.981 1.00 0.00 H ATOM 234 HG23 ILE A 13 9.303 33.250 8.233 1.00 0.00 H ATOM 235 H ILE A 13 6.079 32.566 5.627 1.00 0.00 H ATOM 236 N LYS A 14 7.841 35.790 3.979 1.00 10.39 N ATOM 237 CA LYS A 14 8.134 36.094 2.597 1.00 10.35 C ATOM 238 C LYS A 14 9.636 36.375 2.518 1.00 9.88 C ATOM 239 O LYS A 14 10.103 37.252 3.242 1.00 10.41 O ATOM 240 CB LYS A 14 7.318 37.256 2.073 1.00 13.82 C ATOM 241 CG LYS A 14 7.480 37.581 0.602 1.00 20.32 C ATOM 242 CD LYS A 14 6.757 38.875 0.236 1.00 28.91 C ATOM 243 CE LYS A 14 7.632 40.110 0.425 1.00 36.10 C ATOM 244 NZ LYS A 14 7.108 41.265 -0.388 1.00 40.54 N ATOM 245 HA LYS A 14 7.861 35.251 1.962 1.00 0.00 H ATOM 246 HB2 LYS A 14 6.266 37.030 2.250 1.00 0.00 H ATOM 247 HB3 LYS A 14 7.598 38.142 2.642 1.00 0.00 H ATOM 248 HG2 LYS A 14 8.541 37.691 0.377 1.00 0.00 H ATOM 249 HG3 LYS A 14 7.067 36.764 0.010 1.00 0.00 H ATOM 250 HD2 LYS A 14 6.451 38.821 -0.809 1.00 0.00 H ATOM 251 HD3 LYS A 14 5.874 38.972 0.868 1.00 0.00 H ATOM 252 HE2 LYS A 14 8.649 39.880 0.106 1.00 0.00 H ATOM 253 HE3 LYS A 14 7.637 40.387 1.479 1.00 0.00 H ATOM 254 HZ1 LYS A 14 7.106 41.006 -1.395 1.00 0.00 H ATOM 255 HZ2 LYS A 14 6.139 41.490 -0.084 1.00 0.00 H ATOM 256 HZ3 LYS A 14 7.719 42.094 -0.244 1.00 0.00 H ATOM 257 H LYS A 14 8.124 36.455 4.727 1.00 0.00 H ATOM 258 N ILE A 15 10.325 35.652 1.679 1.00 10.07 N ATOM 259 CA ILE A 15 11.776 35.768 1.546 1.00 10.15 C ATOM 260 C ILE A 15 12.129 35.536 0.112 1.00 11.76 C ATOM 261 O ILE A 15 11.653 34.584 -0.473 1.00 11.54 O ATOM 262 CB ILE A 15 12.539 34.772 2.471 1.00 10.71 C ATOM 263 CG1 ILE A 15 14.037 34.946 2.317 1.00 12.05 C ATOM 264 CG2 ILE A 15 12.032 33.350 2.281 1.00 12.35 C ATOM 265 CD1 ILE A 15 14.880 34.113 3.267 1.00 14.75 C ATOM 266 HA ILE A 15 12.081 36.766 1.860 1.00 0.00 H ATOM 267 HB ILE A 15 12.328 35.002 3.515 1.00 0.00 H ATOM 268 HG12 ILE A 15 14.307 34.673 1.297 1.00 0.00 H ATOM 269 HG13 ILE A 15 14.275 35.996 2.485 1.00 0.00 H ATOM 270 HD11 ILE A 15 14.638 34.381 4.295 1.00 0.00 H ATOM 271 HD12 ILE A 15 14.669 33.056 3.106 1.00 0.00 H ATOM 272 HD13 ILE A 15 15.936 34.307 3.079 1.00 0.00 H ATOM 273 HG21 ILE A 15 10.970 33.309 2.524 1.00 0.00 H ATOM 274 HG22 ILE A 15 12.181 33.048 1.244 1.00 0.00 H ATOM 275 HG23 ILE A 15 12.583 32.678 2.939 1.00 0.00 H ATOM 276 H ILE A 15 9.822 34.966 1.081 1.00 0.00 H ATOM 277 N GLY A 16 12.997 36.413 -0.449 1.00 13.98 N ATOM 278 CA GLY A 16 13.382 36.171 -1.831 1.00 17.17 C ATOM 279 C GLY A 16 12.212 36.130 -2.780 1.00 18.08 C ATOM 280 O GLY A 16 12.284 35.413 -3.789 1.00 25.20 O ATOM 281 HA3 GLY A 16 13.903 35.215 -1.883 1.00 0.00 H ATOM 282 HA2 GLY A 16 14.056 36.968 -2.147 1.00 0.00 H ATOM 283 H GLY A 16 13.371 37.223 0.085 1.00 0.00 H ATOM 284 N GLY A 17 11.112 36.825 -2.533 1.00 18.81 N ATOM 285 CA GLY A 17 9.933 36.828 -3.368 1.00 22.85 C ATOM 286 C GLY A 17 9.095 35.582 -3.202 1.00 22.19 C ATOM 287 O GLY A 17 8.107 35.459 -3.933 1.00 27.88 O ATOM 288 HA3 GLY A 17 10.244 36.903 -4.410 1.00 0.00 H ATOM 289 HA2 GLY A 17 9.325 37.694 -3.109 1.00 0.00 H ATOM 290 H GLY A 17 11.096 37.412 -1.675 1.00 0.00 H ATOM 291 N GLN A 18 9.401 34.701 -2.265 1.00 15.22 N ATOM 292 CA GLN A 18 8.663 33.459 -2.083 1.00 14.04 C ATOM 293 C GLN A 18 7.938 33.432 -0.758 1.00 13.04 C ATOM 294 O GLN A 18 8.562 33.853 0.251 1.00 15.67 O ATOM 295 CB GLN A 18 9.690 32.291 -2.068 1.00 13.99 C ATOM 296 CG GLN A 18 10.374 32.122 -3.420 1.00 17.93 C ATOM 297 CD GLN A 18 11.351 30.953 -3.455 1.00 15.67 C ATOM 298 OE1 GLN A 18 11.073 29.858 -2.926 1.00 22.70 O ATOM 299 NE2 GLN A 18 12.448 31.228 -4.097 1.00 26.65 N ATOM 300 HA GLN A 18 7.935 33.370 -2.890 1.00 0.00 H ATOM 301 HB2 GLN A 18 10.448 32.497 -1.312 1.00 0.00 H ATOM 302 HB3 GLN A 18 9.170 31.366 -1.817 1.00 0.00 H ATOM 303 HG2 GLN A 18 9.608 31.957 -4.178 1.00 0.00 H ATOM 304 HG3 GLN A 18 10.920 33.037 -3.650 1.00 0.00 H ATOM 305 HE22 GLN A 18 12.589 32.174 -4.505 1.00 0.00 H ATOM 306 HE21 GLN A 18 13.185 30.502 -4.203 1.00 0.00 H ATOM 307 H GLN A 18 10.201 34.903 -1.632 1.00 0.00 H ATOM 308 N LEU A 19 6.762 32.905 -0.691 1.00 13.52 N ATOM 309 CA LEU A 19 6.078 32.632 0.572 1.00 13.09 C ATOM 310 C LEU A 19 6.431 31.258 1.074 1.00 13.37 C ATOM 311 O LEU A 19 6.415 30.272 0.340 1.00 17.61 O ATOM 312 CB LEU A 19 4.573 32.676 0.391 1.00 15.49 C ATOM 313 CG LEU A 19 4.012 34.045 0.036 1.00 21.32 C ATOM 314 CD1 LEU A 19 2.529 33.954 -0.376 1.00 29.98 C ATOM 315 CD2 LEU A 19 4.131 35.026 1.189 1.00 28.66 C ATOM 316 HA LEU A 19 6.395 33.395 1.283 1.00 0.00 H ATOM 317 HB2 LEU A 19 4.307 31.983 -0.407 1.00 0.00 H ATOM 318 HB3 LEU A 19 4.110 32.351 1.322 1.00 0.00 H ATOM 319 HG LEU A 19 4.607 34.407 -0.803 1.00 0.00 H ATOM 320 HD21 LEU A 19 3.579 34.644 2.048 1.00 0.00 H ATOM 321 HD22 LEU A 19 5.181 35.147 1.455 1.00 0.00 H ATOM 322 HD23 LEU A 19 3.718 35.989 0.889 1.00 0.00 H ATOM 323 HD11 LEU A 19 2.434 33.304 -1.246 1.00 0.00 H ATOM 324 HD12 LEU A 19 1.948 33.545 0.450 1.00 0.00 H ATOM 325 HD13 LEU A 19 2.160 34.949 -0.623 1.00 0.00 H ATOM 326 H LEU A 19 6.277 32.663 -1.579 1.00 0.00 H ATOM 327 N LYS A 20 6.725 31.171 2.364 1.00 11.65 N ATOM 328 CA LYS A 20 7.086 29.925 3.021 1.00 11.19 C ATOM 329 C LYS A 20 6.428 29.911 4.414 1.00 10.49 C ATOM 330 O LYS A 20 6.026 30.923 4.927 1.00 13.00 O ATOM 331 CB LYS A 20 8.605 29.815 3.170 1.00 12.37 C ATOM 332 CG LYS A 20 9.380 29.688 1.886 1.00 14.58 C ATOM 333 CD LYS A 20 10.821 29.337 2.069 1.00 15.28 C ATOM 334 CE LYS A 20 11.507 29.091 0.717 1.00 20.82 C ATOM 335 NZ LYS A 20 11.038 27.793 0.120 1.00 20.85 N ATOM 336 HA LYS A 20 6.741 29.081 2.423 1.00 0.00 H ATOM 337 HB2 LYS A 20 8.957 30.708 3.687 1.00 0.00 H ATOM 338 HB3 LYS A 20 8.819 28.937 3.779 1.00 0.00 H ATOM 339 HG2 LYS A 20 8.913 28.911 1.281 1.00 0.00 H ATOM 340 HG3 LYS A 20 9.325 30.640 1.358 1.00 0.00 H ATOM 341 HD2 LYS A 20 11.325 30.157 2.580 1.00 0.00 H ATOM 342 HD3 LYS A 20 10.893 28.434 2.675 1.00 0.00 H ATOM 343 HE2 LYS A 20 12.586 29.050 0.864 1.00 0.00 H ATOM 344 HE3 LYS A 20 11.265 29.908 0.037 1.00 0.00 H ATOM 345 HZ1 LYS A 20 11.271 27.012 0.766 1.00 0.00 H ATOM 346 HZ2 LYS A 20 10.009 27.831 -0.024 1.00 0.00 H ATOM 347 HZ3 LYS A 20 11.511 27.642 -0.794 1.00 0.00 H ATOM 348 H LYS A 20 6.696 32.039 2.936 1.00 0.00 H ATOM 349 N GLU A 21 6.357 28.743 4.996 1.00 10.39 N ATOM 350 CA GLU A 21 5.947 28.593 6.396 1.00 10.55 C ATOM 351 C GLU A 21 7.202 28.369 7.224 1.00 8.87 C ATOM 352 O GLU A 21 8.105 27.644 6.812 1.00 10.42 O ATOM 353 CB GLU A 21 5.095 27.345 6.536 1.00 14.16 C ATOM 354 CG GLU A 21 4.317 27.258 7.826 1.00 19.85 C ATOM 355 CD GLU A 21 3.337 26.108 7.913 1.00 31.39 C ATOM 356 OE1 GLU A 21 3.634 24.974 7.467 1.00 45.45 O ATOM 357 OE2 GLU A 21 2.249 26.338 8.504 1.00 47.11 O ATOM 358 HA GLU A 21 5.394 29.475 6.719 1.00 0.00 H ATOM 359 HB2 GLU A 21 4.386 27.322 5.709 1.00 0.00 H ATOM 360 HB3 GLU A 21 5.751 26.476 6.475 1.00 0.00 H ATOM 361 HG2 GLU A 21 5.030 27.156 8.644 1.00 0.00 H ATOM 362 HG3 GLU A 21 3.759 28.186 7.946 1.00 0.00 H ATOM 363 H GLU A 21 6.599 27.892 4.449 1.00 0.00 H ATOM 364 N ALA A 22 7.280 28.948 8.422 1.00 8.16 N ATOM 365 CA ALA A 22 8.467 28.816 9.259 1.00 7.53 C ATOM 366 C ALA A 22 8.041 28.772 10.731 1.00 7.53 C ATOM 367 O ALA A 22 7.034 29.325 11.150 1.00 9.63 O ATOM 368 CB ALA A 22 9.422 29.976 9.005 1.00 8.65 C ATOM 369 HA ALA A 22 8.989 27.892 9.012 1.00 0.00 H ATOM 370 HB1 ALA A 22 9.722 29.975 7.957 1.00 0.00 H ATOM 371 HB2 ALA A 22 8.921 30.915 9.240 1.00 0.00 H ATOM 372 HB3 ALA A 22 10.303 29.864 9.637 1.00 0.00 H ATOM 373 H ALA A 22 6.475 29.508 8.768 1.00 0.00 H ATOM 374 N LEU A 23 8.916 28.148 11.512 1.00 7.06 N ATOM 375 CA LEU A 23 8.795 27.945 12.945 1.00 6.92 C ATOM 376 C LEU A 23 9.491 29.054 13.711 1.00 7.12 C ATOM 377 O LEU A 23 10.681 29.278 13.559 1.00 7.98 O ATOM 378 CB LEU A 23 9.441 26.592 13.265 1.00 8.00 C ATOM 379 CG LEU A 23 9.416 26.128 14.731 1.00 8.75 C ATOM 380 CD1 LEU A 23 8.027 25.775 15.152 1.00 11.84 C ATOM 381 CD2 LEU A 23 10.377 24.984 14.896 1.00 10.78 C ATOM 382 HA LEU A 23 7.746 27.958 13.242 1.00 0.00 H ATOM 383 HB2 LEU A 23 8.927 25.835 12.673 1.00 0.00 H ATOM 384 HB3 LEU A 23 10.485 26.646 12.956 1.00 0.00 H ATOM 385 HG LEU A 23 9.736 26.939 15.386 1.00 0.00 H ATOM 386 HD21 LEU A 23 10.078 24.163 14.244 1.00 0.00 H ATOM 387 HD22 LEU A 23 11.381 25.314 14.630 1.00 0.00 H ATOM 388 HD23 LEU A 23 10.366 24.648 15.933 1.00 0.00 H ATOM 389 HD11 LEU A 23 7.384 26.649 15.048 1.00 0.00 H ATOM 390 HD12 LEU A 23 7.651 24.969 14.521 1.00 0.00 H ATOM 391 HD13 LEU A 23 8.036 25.450 16.192 1.00 0.00 H ATOM 392 H LEU A 23 9.769 27.769 11.054 1.00 0.00 H ATOM 393 N LEU A 24 8.757 29.753 14.589 1.00 7.40 N ATOM 394 CA LEU A 24 9.338 30.761 15.479 1.00 7.40 C ATOM 395 C LEU A 24 10.077 30.018 16.596 1.00 7.48 C ATOM 396 O LEU A 24 9.420 29.338 17.400 1.00 9.01 O ATOM 397 CB LEU A 24 8.272 31.665 16.033 1.00 8.60 C ATOM 398 CG LEU A 24 7.436 32.402 14.993 1.00 9.75 C ATOM 399 CD1 LEU A 24 6.396 33.238 15.712 1.00 14.32 C ATOM 400 CD2 LEU A 24 8.317 33.179 13.994 1.00 14.23 C ATOM 401 HA LEU A 24 10.033 31.399 14.932 1.00 0.00 H ATOM 402 HB2 LEU A 24 7.598 31.059 16.639 1.00 0.00 H ATOM 403 HB3 LEU A 24 8.757 32.409 16.665 1.00 0.00 H ATOM 404 HG LEU A 24 6.899 31.693 14.363 1.00 0.00 H ATOM 405 HD21 LEU A 24 8.916 33.912 14.534 1.00 0.00 H ATOM 406 HD22 LEU A 24 8.975 32.483 13.474 1.00 0.00 H ATOM 407 HD23 LEU A 24 7.681 33.689 13.271 1.00 0.00 H ATOM 408 HD11 LEU A 24 5.757 32.587 16.309 1.00 0.00 H ATOM 409 HD12 LEU A 24 6.895 33.955 16.363 1.00 0.00 H ATOM 410 HD13 LEU A 24 5.790 33.771 14.979 1.00 0.00 H ATOM 411 H LEU A 24 7.734 29.572 14.640 1.00 0.00 H ATOM 412 N ASN A 25 11.397 30.087 16.622 1.00 6.21 N ATOM 413 CA ASN A 25 12.220 29.222 17.439 1.00 6.00 C ATOM 414 C ASN A 25 13.136 30.021 18.353 1.00 5.92 C ATOM 415 O ASN A 25 14.232 30.412 17.980 1.00 6.24 O ATOM 416 CB ASN A 25 13.038 28.310 16.510 1.00 7.05 C ATOM 417 CG ASN A 25 13.795 27.211 17.143 1.00 7.11 C ATOM 418 OD1 ASN A 25 14.372 26.317 16.386 1.00 10.33 O ATOM 419 ND2 ASN A 25 13.829 27.144 18.392 1.00 6.18 N ATOM 420 HA ASN A 25 11.579 28.621 18.083 1.00 0.00 H ATOM 421 HB2 ASN A 25 12.347 27.864 15.795 1.00 0.00 H ATOM 422 HB3 ASN A 25 13.753 28.938 15.979 1.00 0.00 H ATOM 423 HD22 ASN A 25 13.359 27.873 18.965 1.00 0.00 H ATOM 424 HD21 ASN A 25 14.328 26.359 18.857 1.00 0.00 H ATOM 425 H ASN A 25 11.867 30.798 16.026 1.00 0.00 H ATOM 426 N THR A 26 12.689 30.235 19.603 1.00 5.93 N ATOM 427 CA THR A 26 13.510 30.934 20.605 1.00 6.06 C ATOM 428 C THR A 26 14.751 30.140 20.966 1.00 5.83 C ATOM 429 O THR A 26 15.676 30.726 21.556 1.00 6.75 O ATOM 430 CB THR A 26 12.703 31.306 21.869 1.00 6.22 C ATOM 431 OG1 THR A 26 12.222 30.094 22.485 1.00 6.46 O ATOM 432 CG2 THR A 26 11.536 32.192 21.561 1.00 7.38 C ATOM 433 HA THR A 26 13.833 31.867 20.143 1.00 0.00 H ATOM 434 HB THR A 26 13.366 31.855 22.538 1.00 0.00 H ATOM 435 HG1 THR A 26 12.992 29.523 22.733 1.00 0.00 H ATOM 436 HG23 THR A 26 11.892 33.111 21.095 1.00 0.00 H ATOM 437 HG21 THR A 26 10.859 31.676 20.880 1.00 0.00 H ATOM 438 HG22 THR A 26 11.010 32.432 22.485 1.00 0.00 H ATOM 439 H THR A 26 11.741 29.899 19.868 1.00 0.00 H ATOM 440 N GLY A 27 14.801 28.870 20.678 1.00 6.12 N ATOM 441 CA GLY A 27 15.955 28.025 20.844 1.00 6.40 C ATOM 442 C GLY A 27 16.956 28.038 19.757 1.00 6.00 C ATOM 443 O GLY A 27 17.957 27.289 19.825 1.00 6.54 O ATOM 444 HA3 GLY A 27 15.600 27.000 20.953 1.00 0.00 H ATOM 445 HA2 GLY A 27 16.459 28.332 21.760 1.00 0.00 H ATOM 446 H GLY A 27 13.938 28.432 20.298 1.00 0.00 H ATOM 447 N ALA A 28 16.789 28.881 18.742 1.00 6.07 N ATOM 448 CA ALA A 28 17.738 28.995 17.626 1.00 5.67 C ATOM 449 C ALA A 28 18.407 30.359 17.649 1.00 5.47 C ATOM 450 O ALA A 28 17.726 31.370 17.632 1.00 6.35 O ATOM 451 CB ALA A 28 17.015 28.803 16.306 1.00 6.95 C ATOM 452 HA ALA A 28 18.499 28.222 17.732 1.00 0.00 H ATOM 453 HB1 ALA A 28 16.555 27.815 16.286 1.00 0.00 H ATOM 454 HB2 ALA A 28 16.244 29.567 16.201 1.00 0.00 H ATOM 455 HB3 ALA A 28 17.728 28.890 15.486 1.00 0.00 H ATOM 456 H ALA A 28 15.945 29.489 18.738 1.00 0.00 H ATOM 457 N ASP A 29 19.726 30.364 17.586 1.00 5.83 N ATOM 458 CA ASP A 29 20.448 31.597 17.490 1.00 6.62 C ATOM 459 C ASP A 29 20.208 32.297 16.140 1.00 7.33 C ATOM 460 O ASP A 29 20.196 33.530 16.065 1.00 9.12 O ATOM 461 CB ASP A 29 21.947 31.391 17.671 1.00 8.11 C ATOM 462 CG ASP A 29 22.403 30.935 19.034 1.00 9.75 C ATOM 463 OD1 ASP A 29 21.608 30.807 19.988 1.00 9.23 O ATOM 464 OD2 ASP A 29 23.622 30.681 19.141 1.00 19.20 O ATOM 465 HA ASP A 29 20.071 32.228 18.295 1.00 0.00 H ATOM 466 HB2 ASP A 29 22.269 30.643 16.946 1.00 0.00 H ATOM 467 HB3 ASP A 29 22.440 32.339 17.456 1.00 0.00 H ATOM 468 H ASP A 29 20.246 29.463 17.606 1.00 0.00 H ATOM 469 N ASP A 30 20.085 31.485 15.107 1.00 7.57 N ATOM 470 CA ASP A 30 20.121 31.897 13.692 1.00 7.70 C ATOM 471 C ASP A 30 18.849 31.428 13.008 1.00 6.67 C ATOM 472 O ASP A 30 18.161 30.547 13.470 1.00 7.78 O ATOM 473 CB ASP A 30 21.319 31.244 12.980 1.00 9.41 C ATOM 474 CG ASP A 30 22.681 31.444 13.587 1.00 12.03 C ATOM 475 OD1 ASP A 30 22.918 32.513 14.187 1.00 16.61 O ATOM 476 OD2 ASP A 30 23.554 30.572 13.561 1.00 19.13 O ATOM 477 HA ASP A 30 20.211 32.982 13.642 1.00 0.00 H ATOM 478 HB2 ASP A 30 21.132 30.171 12.943 1.00 0.00 H ATOM 479 HB3 ASP A 30 21.352 31.641 11.965 1.00 0.00 H ATOM 480 H ASP A 30 19.952 30.473 15.307 1.00 0.00 H ATOM 481 N THR A 31 18.590 32.006 11.868 1.00 7.66 N ATOM 482 CA THR A 31 17.505 31.716 10.982 1.00 6.51 C ATOM 483 C THR A 31 17.977 30.786 9.879 1.00 6.36 C ATOM 484 O THR A 31 19.043 31.066 9.268 1.00 7.20 O ATOM 485 CB THR A 31 16.961 33.051 10.410 1.00 6.72 C ATOM 486 OG1 THR A 31 16.360 33.762 11.517 1.00 7.61 O ATOM 487 CG2 THR A 31 15.925 32.846 9.333 1.00 8.25 C ATOM 488 HA THR A 31 16.700 31.211 11.515 1.00 0.00 H ATOM 489 HB THR A 31 17.782 33.603 9.951 1.00 0.00 H ATOM 490 HG1 THR A 31 17.045 33.929 12.212 1.00 0.00 H ATOM 491 HG23 THR A 31 16.374 32.310 8.496 1.00 0.00 H ATOM 492 HG21 THR A 31 15.095 32.265 9.735 1.00 0.00 H ATOM 493 HG22 THR A 31 15.560 33.815 8.992 1.00 0.00 H ATOM 494 H THR A 31 19.243 32.759 11.571 1.00 0.00 H ATOM 495 N VAL A 32 17.266 29.700 9.656 1.00 5.91 N ATOM 496 CA VAL A 32 17.706 28.655 8.751 1.00 6.53 C ATOM 497 C VAL A 32 16.530 28.288 7.836 1.00 6.36 C ATOM 498 O VAL A 32 15.481 27.888 8.321 1.00 7.64 O ATOM 499 CB VAL A 32 18.388 27.391 9.284 1.00 9.51 C ATOM 500 CG1 VAL A 32 17.545 26.481 10.131 1.00 10.51 C ATOM 501 CG2 VAL A 32 18.901 26.599 8.064 1.00 10.86 C ATOM 502 HA VAL A 32 18.551 29.120 8.243 1.00 0.00 H ATOM 503 HB VAL A 32 19.175 27.735 9.955 1.00 0.00 H ATOM 504 HG11 VAL A 32 17.195 27.024 11.009 1.00 0.00 H ATOM 505 HG12 VAL A 32 16.689 26.136 9.551 1.00 0.00 H ATOM 506 HG13 VAL A 32 18.141 25.624 10.446 1.00 0.00 H ATOM 507 HG21 VAL A 32 18.060 26.339 7.421 1.00 0.00 H ATOM 508 HG22 VAL A 32 19.610 27.211 7.507 1.00 0.00 H ATOM 509 HG23 VAL A 32 19.394 25.689 8.405 1.00 0.00 H ATOM 510 H VAL A 32 16.356 29.587 10.147 1.00 0.00 H ATOM 511 N ILE A 33 16.759 28.394 6.535 1.00 6.47 N ATOM 512 CA ILE A 33 15.711 28.138 5.534 1.00 7.52 C ATOM 513 C ILE A 33 16.179 27.009 4.620 1.00 6.96 C ATOM 514 O ILE A 33 17.357 26.846 4.323 1.00 7.40 O ATOM 515 CB ILE A 33 15.466 29.456 4.751 1.00 8.57 C ATOM 516 CG1 ILE A 33 15.087 30.608 5.695 1.00 10.14 C ATOM 517 CG2 ILE A 33 14.385 29.289 3.672 1.00 11.22 C ATOM 518 CD1 ILE A 33 13.819 30.480 6.496 1.00 11.92 C ATOM 519 HA ILE A 33 14.773 27.829 5.995 1.00 0.00 H ATOM 520 HB ILE A 33 16.406 29.703 4.257 1.00 0.00 H ATOM 521 HG12 ILE A 33 15.907 30.730 6.403 1.00 0.00 H ATOM 522 HG13 ILE A 33 14.997 31.508 5.087 1.00 0.00 H ATOM 523 HD11 ILE A 33 12.971 30.379 5.818 1.00 0.00 H ATOM 524 HD12 ILE A 33 13.882 29.599 7.135 1.00 0.00 H ATOM 525 HD13 ILE A 33 13.689 31.369 7.112 1.00 0.00 H ATOM 526 HG21 ILE A 33 14.697 28.523 2.962 1.00 0.00 H ATOM 527 HG22 ILE A 33 13.448 28.991 4.142 1.00 0.00 H ATOM 528 HG23 ILE A 33 14.246 30.235 3.149 1.00 0.00 H ATOM 529 H ILE A 33 17.709 28.667 6.211 1.00 0.00 H ATOM 530 N GLU A 34 15.219 26.227 4.173 1.00 7.60 N ATOM 531 CA GLU A 34 15.451 25.170 3.195 1.00 8.19 C ATOM 532 C GLU A 34 15.990 25.753 1.903 1.00 8.48 C ATOM 533 O GLU A 34 15.908 26.948 1.598 1.00 9.24 O ATOM 534 CB GLU A 34 14.092 24.486 2.892 1.00 9.80 C ATOM 535 CG GLU A 34 13.057 25.382 2.209 1.00 11.68 C ATOM 536 CD GLU A 34 11.597 24.948 2.322 1.00 13.08 C ATOM 537 OE1 GLU A 34 11.281 23.777 2.588 1.00 25.34 O ATOM 538 OE2 GLU A 34 10.640 25.779 2.156 1.00 9.48 O ATOM 539 HA GLU A 34 16.174 24.459 3.596 1.00 0.00 H ATOM 540 HB2 GLU A 34 14.281 23.631 2.243 1.00 0.00 H ATOM 541 HB3 GLU A 34 13.670 24.139 3.835 1.00 0.00 H ATOM 542 HG2 GLU A 34 13.141 26.377 2.645 1.00 0.00 H ATOM 543 HG3 GLU A 34 13.307 25.429 1.149 1.00 0.00 H ATOM 544 H GLU A 34 14.254 26.369 4.533 1.00 0.00 H ATOM 545 N GLU A 35 16.588 24.856 1.085 1.00 9.80 N ATOM 546 CA GLU A 35 17.282 25.313 -0.088 1.00 10.32 C ATOM 547 C GLU A 35 16.446 26.220 -0.983 1.00 9.09 C ATOM 548 O GLU A 35 15.344 25.929 -1.344 1.00 10.53 O ATOM 549 CB GLU A 35 17.718 24.100 -0.939 1.00 11.81 C ATOM 550 CG GLU A 35 18.900 23.382 -0.411 1.00 14.00 C ATOM 551 CD GLU A 35 20.164 24.220 -0.446 1.00 15.89 C ATOM 552 OE1 GLU A 35 20.109 25.256 -1.168 1.00 24.71 O ATOM 553 OE2 GLU A 35 21.155 23.828 0.256 1.00 26.55 O ATOM 554 HA GLU A 35 18.132 25.889 0.278 1.00 0.00 H ATOM 555 HB2 GLU A 35 16.885 23.399 -0.987 1.00 0.00 H ATOM 556 HB3 GLU A 35 17.953 24.453 -1.943 1.00 0.00 H ATOM 557 HG2 GLU A 35 18.701 23.096 0.622 1.00 0.00 H ATOM 558 HG3 GLU A 35 19.060 22.486 -1.011 1.00 0.00 H ATOM 559 H GLU A 35 16.546 23.840 1.304 1.00 0.00 H ATOM 560 N MET A 36 17.103 27.353 -1.322 1.00 9.15 N ATOM 561 CA MET A 36 16.540 28.375 -2.183 1.00 9.92 C ATOM 562 C MET A 36 17.678 29.260 -2.620 1.00 10.68 C ATOM 563 O MET A 36 18.791 29.262 -2.017 1.00 11.24 O ATOM 564 CB MET A 36 15.494 29.197 -1.431 1.00 10.64 C ATOM 565 CG MET A 36 16.026 30.066 -0.321 1.00 11.92 C ATOM 566 SD MET A 36 14.759 31.140 0.386 1.00 14.42 S ATOM 567 CE MET A 36 14.325 32.165 -1.005 1.00 14.58 C ATOM 568 HA MET A 36 16.045 27.921 -3.041 1.00 0.00 H ATOM 569 HB2 MET A 36 14.992 29.842 -2.152 1.00 0.00 H ATOM 570 HB3 MET A 36 14.770 28.506 -0.999 1.00 0.00 H ATOM 571 HG2 MET A 36 16.829 30.687 -0.718 1.00 0.00 H ATOM 572 HG3 MET A 36 16.420 29.424 0.467 1.00 0.00 H ATOM 573 HE1 MET A 36 15.207 32.709 -1.343 1.00 0.00 H ATOM 574 HE2 MET A 36 13.951 31.538 -1.814 1.00 0.00 H ATOM 575 HE3 MET A 36 13.552 32.873 -0.706 1.00 0.00 H ATOM 576 H MET A 36 18.062 27.499 -0.946 1.00 0.00 H ATOM 577 N SER A 37 17.447 30.031 -3.692 1.00 12.15 N ATOM 578 CA SER A 37 18.413 30.989 -4.118 1.00 12.43 C ATOM 579 C SER A 37 18.259 32.301 -3.346 1.00 10.93 C ATOM 580 O SER A 37 17.125 32.715 -3.103 1.00 14.34 O ATOM 581 CB SER A 37 18.224 31.207 -5.622 1.00 18.32 C ATOM 582 OG SER A 37 19.256 32.030 -6.116 1.00 19.68 O ATOM 583 HA SER A 37 19.420 30.623 -3.918 1.00 0.00 H ATOM 584 HB2 SER A 37 17.261 31.686 -5.801 1.00 0.00 H ATOM 585 HB3 SER A 37 18.251 30.245 -6.134 1.00 0.00 H ATOM 586 HG SER A 37 20.130 31.594 -5.954 1.00 0.00 H ATOM 587 H SER A 37 16.555 29.929 -4.217 1.00 0.00 H ATOM 588 N LEU A 38 19.382 32.940 -3.002 1.00 11.18 N ATOM 589 CA LEU A 38 19.379 34.272 -2.423 1.00 10.85 C ATOM 590 C LEU A 38 20.472 35.090 -3.084 1.00 13.16 C ATOM 591 O LEU A 38 21.456 34.525 -3.551 1.00 13.08 O ATOM 592 CB LEU A 38 19.609 34.211 -0.917 1.00 10.18 C ATOM 593 CG LEU A 38 18.477 33.692 -0.060 1.00 10.49 C ATOM 594 CD1 LEU A 38 18.861 33.625 1.403 1.00 10.85 C ATOM 595 CD2 LEU A 38 17.195 34.547 -0.193 1.00 13.93 C ATOM 596 HA LEU A 38 18.408 34.737 -2.593 1.00 0.00 H ATOM 597 HB2 LEU A 38 20.472 33.568 -0.744 1.00 0.00 H ATOM 598 HB3 LEU A 38 19.837 35.222 -0.580 1.00 0.00 H ATOM 599 HG LEU A 38 18.272 32.687 -0.430 1.00 0.00 H ATOM 600 HD21 LEU A 38 17.409 35.570 0.115 1.00 0.00 H ATOM 601 HD22 LEU A 38 16.862 34.541 -1.231 1.00 0.00 H ATOM 602 HD23 LEU A 38 16.414 34.130 0.443 1.00 0.00 H ATOM 603 HD11 LEU A 38 19.714 32.958 1.523 1.00 0.00 H ATOM 604 HD12 LEU A 38 19.126 34.622 1.754 1.00 0.00 H ATOM 605 HD13 LEU A 38 18.018 33.247 1.982 1.00 0.00 H ATOM 606 H LEU A 38 20.294 32.464 -3.155 1.00 0.00 H ATOM 607 N PRO A 39 20.304 36.412 -3.085 1.00 15.76 N ATOM 608 CA PRO A 39 21.362 37.264 -3.681 1.00 16.88 C ATOM 609 C PRO A 39 22.570 37.450 -2.767 1.00 15.48 C ATOM 610 O PRO A 39 22.472 37.341 -1.550 1.00 16.83 O ATOM 611 CB PRO A 39 20.588 38.567 -3.877 1.00 22.39 C ATOM 612 CG PRO A 39 19.524 38.608 -2.837 1.00 21.63 C ATOM 613 CD PRO A 39 19.119 37.172 -2.607 1.00 18.07 C ATOM 614 HA PRO A 39 21.806 36.849 -4.586 1.00 0.00 H ATOM 615 HD3 PRO A 39 18.931 36.982 -1.550 1.00 0.00 H ATOM 616 HD2 PRO A 39 18.230 36.917 -3.185 1.00 0.00 H ATOM 617 HG3 PRO A 39 18.673 39.192 -3.187 1.00 0.00 H ATOM 618 HG2 PRO A 39 19.909 39.046 -1.916 1.00 0.00 H ATOM 619 HB2 PRO A 39 21.257 39.420 -3.761 1.00 0.00 H ATOM 620 HB3 PRO A 39 20.140 38.590 -4.871 1.00 0.00 H ATOM 621 N GLY A 40 23.711 37.798 -3.373 1.00 16.10 N ATOM 622 CA GLY A 40 24.938 38.218 -2.802 1.00 17.78 C ATOM 623 C GLY A 40 25.885 37.065 -2.539 1.00 15.56 C ATOM 624 O GLY A 40 25.662 35.911 -2.875 1.00 17.23 O ATOM 625 HA3 GLY A 40 24.730 38.721 -1.858 1.00 0.00 H ATOM 626 HA2 GLY A 40 25.420 38.917 -3.486 1.00 0.00 H ATOM 627 H GLY A 40 23.695 37.754 -4.412 1.00 0.00 H ATOM 628 N ARG A 41 26.981 37.442 -1.922 1.00 16.51 N ATOM 629 CA ARG A 41 28.010 36.519 -1.544 1.00 15.26 C ATOM 630 C ARG A 41 27.555 35.685 -0.371 1.00 13.38 C ATOM 631 O ARG A 41 26.672 36.049 0.403 1.00 16.14 O ATOM 632 CB ARG A 41 29.315 37.288 -1.172 1.00 23.71 C ATOM 633 CG ARG A 41 29.854 38.006 -2.401 1.00 36.56 C ATOM 634 CD ARG A 41 31.036 38.887 -1.988 1.00 51.38 C ATOM 635 NE ARG A 41 30.996 39.344 -0.604 1.00 70.16 N ATOM 636 CZ ARG A 41 30.886 40.583 -0.134 1.00 82.64 C ATOM 637 NH1 ARG A 41 30.775 41.682 -0.878 1.00 87.09 N ATOM 638 NH2 ARG A 41 30.884 40.728 1.194 1.00 83.59 N ATOM 639 HA ARG A 41 28.215 35.862 -2.389 1.00 0.00 H ATOM 640 HB2 ARG A 41 29.096 38.018 -0.392 1.00 0.00 H ATOM 641 HB3 ARG A 41 30.061 36.582 -0.808 1.00 0.00 H ATOM 642 HG2 ARG A 41 30.184 37.273 -3.137 1.00 0.00 H ATOM 643 HG3 ARG A 41 29.070 38.627 -2.835 1.00 0.00 H ATOM 644 HD2 ARG A 41 31.050 39.763 -2.636 1.00 0.00 H ATOM 645 HD3 ARG A 41 31.953 38.316 -2.132 1.00 0.00 H ATOM 646 HE ARG A 41 31.063 38.597 0.116 1.00 0.00 H ATOM 647 HH12 ARG A 41 30.694 42.613 -0.422 1.00 0.00 H ATOM 648 HH11 ARG A 41 30.770 41.609 -1.915 1.00 0.00 H ATOM 649 HH22 ARG A 41 30.800 41.676 1.613 1.00 0.00 H ATOM 650 HH21 ARG A 41 30.966 39.893 1.808 1.00 0.00 H ATOM 651 H ARG A 41 27.107 38.450 -1.699 1.00 0.00 H ATOM 652 N TRP A 42 28.181 34.536 -0.228 1.00 12.61 N ATOM 653 CA TRP A 42 27.874 33.647 0.920 1.00 10.74 C ATOM 654 C TRP A 42 29.182 33.033 1.378 1.00 10.41 C ATOM 655 O TRP A 42 30.186 32.979 0.711 1.00 13.17 O ATOM 656 CB TRP A 42 26.814 32.606 0.541 1.00 11.05 C ATOM 657 CG TRP A 42 27.248 31.708 -0.566 1.00 12.64 C ATOM 658 CD1 TRP A 42 27.010 31.940 -1.888 1.00 15.03 C ATOM 659 CD2 TRP A 42 27.978 30.490 -0.484 1.00 14.45 C ATOM 660 NE1 TRP A 42 27.568 30.921 -2.583 1.00 18.95 N ATOM 661 CE2 TRP A 42 28.158 30.009 -1.789 1.00 16.65 C ATOM 662 CE3 TRP A 42 28.500 29.725 0.539 1.00 14.30 C ATOM 663 CZ2 TRP A 42 28.811 28.837 -2.182 1.00 22.41 C ATOM 664 CZ3 TRP A 42 29.168 28.549 0.190 1.00 19.29 C ATOM 665 CH2 TRP A 42 29.331 28.107 -1.130 1.00 20.76 C ATOM 666 HA TRP A 42 27.438 34.206 1.748 1.00 0.00 H ATOM 667 HB2 TRP A 42 26.597 31.996 1.418 1.00 0.00 H ATOM 668 HB3 TRP A 42 25.909 33.129 0.230 1.00 0.00 H ATOM 669 HE1 TRP A 42 27.543 30.851 -3.620 1.00 0.00 H ATOM 670 HD1 TRP A 42 26.470 32.789 -2.308 1.00 0.00 H ATOM 671 HZ2 TRP A 42 28.902 28.527 -3.223 1.00 0.00 H ATOM 672 HH2 TRP A 42 29.871 27.181 -1.328 1.00 0.00 H ATOM 673 HZ3 TRP A 42 29.587 27.940 0.991 1.00 0.00 H ATOM 674 HE3 TRP A 42 28.395 30.027 1.581 1.00 0.00 H ATOM 675 H TRP A 42 28.897 34.249 -0.926 1.00 0.00 H ATOM 676 N LYS A 43 29.095 32.482 2.592 1.00 10.67 N ATOM 677 CA LYS A 43 30.214 31.716 3.152 1.00 11.90 C ATOM 678 C LYS A 43 29.660 30.509 3.866 1.00 9.75 C ATOM 679 O LYS A 43 28.537 30.516 4.378 1.00 8.90 O ATOM 680 CB LYS A 43 31.010 32.578 4.108 1.00 16.86 C ATOM 681 CG LYS A 43 30.300 33.028 5.353 1.00 21.08 C ATOM 682 CD LYS A 43 31.240 33.885 6.223 1.00 22.32 C ATOM 683 CE LYS A 43 32.278 33.015 6.919 1.00 26.68 C ATOM 684 NZ LYS A 43 33.390 33.818 7.502 1.00 31.17 N ATOM 685 HA LYS A 43 30.882 31.394 2.353 1.00 0.00 H ATOM 686 HB2 LYS A 43 31.888 32.010 4.414 1.00 0.00 H ATOM 687 HB3 LYS A 43 31.326 33.469 3.566 1.00 0.00 H ATOM 688 HG2 LYS A 43 29.427 33.619 5.076 1.00 0.00 H ATOM 689 HG3 LYS A 43 29.980 32.154 5.921 1.00 0.00 H ATOM 690 HD2 LYS A 43 31.749 34.612 5.590 1.00 0.00 H ATOM 691 HD3 LYS A 43 30.651 34.410 6.975 1.00 0.00 H ATOM 692 HE2 LYS A 43 32.693 32.316 6.193 1.00 0.00 H ATOM 693 HE3 LYS A 43 31.790 32.459 7.719 1.00 0.00 H ATOM 694 HZ1 LYS A 43 33.868 34.347 6.745 1.00 0.00 H ATOM 695 HZ2 LYS A 43 33.005 34.484 8.202 1.00 0.00 H ATOM 696 HZ3 LYS A 43 34.070 33.182 7.964 1.00 0.00 H ATOM 697 H LYS A 43 28.223 32.598 3.147 1.00 0.00 H ATOM 698 N PRO A 44 30.405 29.438 3.895 1.00 9.86 N ATOM 699 CA PRO A 44 29.900 28.211 4.552 1.00 9.86 C ATOM 700 C PRO A 44 29.937 28.283 6.074 1.00 9.22 C ATOM 701 O PRO A 44 30.758 28.994 6.666 1.00 10.22 O ATOM 702 CB PRO A 44 30.805 27.104 4.005 1.00 14.47 C ATOM 703 CG PRO A 44 32.016 27.816 3.560 1.00 18.10 C ATOM 704 CD PRO A 44 31.738 29.246 3.225 1.00 13.32 C ATOM 705 HA PRO A 44 28.845 28.042 4.334 1.00 0.00 H ATOM 706 HD3 PRO A 44 32.496 29.910 3.640 1.00 0.00 H ATOM 707 HD2 PRO A 44 31.672 29.401 2.148 1.00 0.00 H ATOM 708 HG3 PRO A 44 32.411 27.318 2.675 1.00 0.00 H ATOM 709 HG2 PRO A 44 32.758 27.780 4.357 1.00 0.00 H ATOM 710 HB2 PRO A 44 31.046 26.380 4.784 1.00 0.00 H ATOM 711 HB3 PRO A 44 30.328 26.592 3.169 1.00 0.00 H ATOM 712 N LYS A 45 29.001 27.571 6.687 1.00 8.40 N ATOM 713 CA LYS A 45 28.895 27.499 8.139 1.00 7.94 C ATOM 714 C LYS A 45 28.436 26.117 8.516 1.00 7.13 C ATOM 715 O LYS A 45 27.704 25.504 7.734 1.00 8.61 O ATOM 716 CB LYS A 45 27.884 28.597 8.648 1.00 8.77 C ATOM 717 CG LYS A 45 27.868 28.807 10.154 1.00 9.77 C ATOM 718 CD LYS A 45 26.910 29.881 10.611 1.00 11.57 C ATOM 719 CE LYS A 45 26.835 30.083 12.109 1.00 11.78 C ATOM 720 NZ LYS A 45 27.797 31.137 12.490 1.00 23.47 N ATOM 721 HA LYS A 45 29.861 27.690 8.606 1.00 0.00 H ATOM 722 HB2 LYS A 45 28.147 29.544 8.177 1.00 0.00 H ATOM 723 HB3 LYS A 45 26.881 28.304 8.336 1.00 0.00 H ATOM 724 HG2 LYS A 45 27.584 27.868 10.629 1.00 0.00 H ATOM 725 HG3 LYS A 45 28.873 29.084 10.473 1.00 0.00 H ATOM 726 HD2 LYS A 45 27.219 30.823 10.158 1.00 0.00 H ATOM 727 HD3 LYS A 45 25.914 29.618 10.256 1.00 0.00 H ATOM 728 HE2 LYS A 45 27.087 29.153 12.619 1.00 0.00 H ATOM 729 HE3 LYS A 45 25.826 30.387 12.389 1.00 0.00 H ATOM 730 HZ1 LYS A 45 28.757 30.843 12.219 1.00 0.00 H ATOM 731 HZ2 LYS A 45 27.553 32.021 12.000 1.00 0.00 H ATOM 732 HZ3 LYS A 45 27.756 31.287 13.518 1.00 0.00 H ATOM 733 H LYS A 45 28.316 27.043 6.109 1.00 0.00 H ATOM 734 N MET A 46 28.800 25.656 9.690 1.00 6.94 N ATOM 735 CA MET A 46 28.222 24.453 10.265 1.00 7.21 C ATOM 736 C MET A 46 27.390 24.859 11.473 1.00 7.33 C ATOM 737 O MET A 46 27.858 25.642 12.291 1.00 9.62 O ATOM 738 CB MET A 46 29.272 23.468 10.766 1.00 7.60 C ATOM 739 CG MET A 46 30.021 22.730 9.652 1.00 8.05 C ATOM 740 SD MET A 46 29.089 21.348 9.005 1.00 12.25 S ATOM 741 CE MET A 46 29.714 20.001 10.045 1.00 18.14 C ATOM 742 HA MET A 46 27.640 23.969 9.481 1.00 0.00 H ATOM 743 HB2 MET A 46 30.000 24.018 11.362 1.00 0.00 H ATOM 744 HB3 MET A 46 28.775 22.728 11.393 1.00 0.00 H ATOM 745 HG2 MET A 46 30.966 22.360 10.050 1.00 0.00 H ATOM 746 HG3 MET A 46 30.220 23.430 8.840 1.00 0.00 H ATOM 747 HE1 MET A 46 30.791 19.906 9.906 1.00 0.00 H ATOM 748 HE2 MET A 46 29.500 20.222 11.091 1.00 0.00 H ATOM 749 HE3 MET A 46 29.226 19.068 9.762 1.00 0.00 H ATOM 750 H MET A 46 29.527 26.170 10.227 1.00 0.00 H ATOM 751 N ILE A 47 26.182 24.325 11.545 1.00 6.57 N ATOM 752 CA ILE A 47 25.282 24.616 12.669 1.00 6.56 C ATOM 753 C ILE A 47 24.792 23.299 13.277 1.00 6.87 C ATOM 754 O ILE A 47 24.568 22.330 12.564 1.00 7.79 O ATOM 755 CB ILE A 47 24.085 25.472 12.235 1.00 7.57 C ATOM 756 CG1 ILE A 47 23.289 24.852 11.079 1.00 9.01 C ATOM 757 CG2 ILE A 47 24.569 26.877 11.975 1.00 10.19 C ATOM 758 CD1 ILE A 47 21.998 25.532 10.734 1.00 11.22 C ATOM 759 HA ILE A 47 25.839 25.187 13.412 1.00 0.00 H ATOM 760 HB ILE A 47 23.354 25.511 13.042 1.00 0.00 H ATOM 761 HG12 ILE A 47 23.922 24.867 10.192 1.00 0.00 H ATOM 762 HG13 ILE A 47 23.062 23.820 11.345 1.00 0.00 H ATOM 763 HD11 ILE A 47 21.338 25.516 11.601 1.00 0.00 H ATOM 764 HD12 ILE A 47 22.198 26.564 10.447 1.00 0.00 H ATOM 765 HD13 ILE A 47 21.523 25.008 9.905 1.00 0.00 H ATOM 766 HG21 ILE A 47 25.006 27.284 12.887 1.00 0.00 H ATOM 767 HG22 ILE A 47 25.321 26.861 11.186 1.00 0.00 H ATOM 768 HG23 ILE A 47 23.728 27.498 11.665 1.00 0.00 H ATOM 769 H ILE A 47 25.863 23.685 10.790 1.00 0.00 H ATOM 770 N GLY A 48 24.659 23.267 14.581 1.00 7.95 N ATOM 771 CA GLY A 48 24.374 22.050 15.308 1.00 8.67 C ATOM 772 C GLY A 48 23.204 22.187 16.249 1.00 7.41 C ATOM 773 O GLY A 48 22.752 23.251 16.644 1.00 8.35 O ATOM 774 HA3 GLY A 48 25.256 21.776 15.887 1.00 0.00 H ATOM 775 HA2 GLY A 48 24.153 21.260 14.590 1.00 0.00 H ATOM 776 H GLY A 48 24.763 24.154 15.115 1.00 0.00 H ATOM 777 N GLY A 49 22.752 21.025 16.648 1.00 8.77 N ATOM 778 CA GLY A 49 21.658 20.873 17.606 1.00 8.46 C ATOM 779 C GLY A 49 21.414 19.418 17.856 1.00 8.18 C ATOM 780 O GLY A 49 22.326 18.618 17.771 1.00 8.75 O ATOM 781 HA3 GLY A 49 20.754 21.329 17.202 1.00 0.00 H ATOM 782 HA2 GLY A 49 21.924 21.364 18.542 1.00 0.00 H ATOM 783 H GLY A 49 23.194 20.166 16.264 1.00 0.00 H ATOM 784 N ILE A 50 20.166 19.084 18.152 1.00 9.49 N ATOM 785 CA ILE A 50 19.834 17.652 18.310 1.00 9.04 C ATOM 786 C ILE A 50 20.107 16.938 17.004 1.00 9.01 C ATOM 787 O ILE A 50 19.701 17.354 15.935 1.00 10.16 O ATOM 788 CB ILE A 50 18.426 17.528 18.856 1.00 9.72 C ATOM 789 CG1 ILE A 50 18.370 17.937 20.372 1.00 11.87 C ATOM 790 CG2 ILE A 50 17.873 16.119 18.617 1.00 10.71 C ATOM 791 CD1 ILE A 50 17.034 18.131 20.942 1.00 15.34 C ATOM 792 HA ILE A 50 20.466 17.152 19.044 1.00 0.00 H ATOM 793 HB ILE A 50 17.784 18.224 18.316 1.00 0.00 H ATOM 794 HG12 ILE A 50 18.866 17.155 20.946 1.00 0.00 H ATOM 795 HG13 ILE A 50 18.919 18.872 20.485 1.00 0.00 H ATOM 796 HD11 ILE A 50 16.520 18.923 20.397 1.00 0.00 H ATOM 797 HD12 ILE A 50 16.467 17.204 20.859 1.00 0.00 H ATOM 798 HD13 ILE A 50 17.125 18.410 21.992 1.00 0.00 H ATOM 799 HG21 ILE A 50 17.855 15.914 17.547 1.00 0.00 H ATOM 800 HG22 ILE A 50 18.510 15.390 19.117 1.00 0.00 H ATOM 801 HG23 ILE A 50 16.861 16.054 19.017 1.00 0.00 H ATOM 802 H ILE A 50 19.435 19.814 18.271 1.00 0.00 H ATOM 803 N GLY A 51 20.819 15.815 17.095 1.00 10.15 N ATOM 804 CA GLY A 51 21.203 15.052 15.957 1.00 10.63 C ATOM 805 C GLY A 51 22.528 15.479 15.355 1.00 10.05 C ATOM 806 O GLY A 51 22.921 14.826 14.376 1.00 14.58 O ATOM 807 HA3 GLY A 51 20.430 15.156 15.196 1.00 0.00 H ATOM 808 HA2 GLY A 51 21.281 14.006 16.254 1.00 0.00 H ATOM 809 H GLY A 51 21.106 15.482 18.038 1.00 0.00 H ATOM 810 N GLY A 52 23.184 16.498 15.811 1.00 9.39 N ATOM 811 CA GLY A 52 24.484 16.890 15.283 1.00 9.76 C ATOM 812 C GLY A 52 24.364 18.097 14.371 1.00 8.21 C ATOM 813 O GLY A 52 23.555 18.979 14.610 1.00 8.91 O ATOM 814 HA3 GLY A 52 24.905 16.058 14.719 1.00 0.00 H ATOM 815 HA2 GLY A 52 25.146 17.136 16.113 1.00 0.00 H ATOM 816 H GLY A 52 22.768 17.057 16.583 1.00 0.00 H ATOM 817 N PHE A 53 25.244 18.165 13.383 1.00 8.44 N ATOM 818 CA PHE A 53 25.497 19.360 12.577 1.00 7.78 C ATOM 819 C PHE A 53 25.076 19.177 11.123 1.00 8.32 C ATOM 820 O PHE A 53 25.121 18.062 10.577 1.00 10.12 O ATOM 821 CB PHE A 53 26.960 19.770 12.606 1.00 8.53 C ATOM 822 CG PHE A 53 27.440 20.313 13.946 1.00 7.84 C ATOM 823 CD1 PHE A 53 27.693 19.439 15.013 1.00 9.91 C ATOM 824 CD2 PHE A 53 27.624 21.674 14.103 1.00 8.32 C ATOM 825 CE1 PHE A 53 28.127 19.997 16.212 1.00 11.77 C ATOM 826 CE2 PHE A 53 28.042 22.200 15.316 1.00 10.16 C ATOM 827 CZ PHE A 53 28.296 21.344 16.352 1.00 11.94 C ATOM 828 HA PHE A 53 24.892 20.146 13.029 1.00 0.00 H ATOM 829 HB2 PHE A 53 27.563 18.897 12.357 1.00 0.00 H ATOM 830 HB3 PHE A 53 27.112 20.542 11.852 1.00 0.00 H ATOM 831 HD2 PHE A 53 27.438 22.342 13.262 1.00 0.00 H ATOM 832 HE2 PHE A 53 28.166 23.276 15.442 1.00 0.00 H ATOM 833 HZ PHE A 53 28.639 21.744 17.306 1.00 0.00 H ATOM 834 HE1 PHE A 53 28.337 19.343 17.059 1.00 0.00 H ATOM 835 HD1 PHE A 53 27.555 18.363 14.907 1.00 0.00 H ATOM 836 H PHE A 53 25.793 17.309 13.165 1.00 0.00 H ATOM 837 N ILE A 54 24.726 20.280 10.493 1.00 7.85 N ATOM 838 CA ILE A 54 24.533 20.361 9.044 1.00 7.92 C ATOM 839 C ILE A 54 25.353 21.574 8.532 1.00 7.52 C ATOM 840 O ILE A 54 25.611 22.537 9.229 1.00 7.40 O ATOM 841 CB ILE A 54 23.065 20.492 8.601 1.00 9.40 C ATOM 842 CG1 ILE A 54 22.387 21.733 9.132 1.00 9.74 C ATOM 843 CG2 ILE A 54 22.274 19.251 8.991 1.00 13.01 C ATOM 844 CD1 ILE A 54 20.998 22.058 8.545 1.00 12.54 C ATOM 845 HA ILE A 54 24.873 19.420 8.613 1.00 0.00 H ATOM 846 HB ILE A 54 23.083 20.587 7.515 1.00 0.00 H ATOM 847 HG12 ILE A 54 22.273 21.614 10.209 1.00 0.00 H ATOM 848 HG13 ILE A 54 23.040 22.581 8.929 1.00 0.00 H ATOM 849 HD11 ILE A 54 21.085 22.201 7.468 1.00 0.00 H ATOM 850 HD12 ILE A 54 20.316 21.233 8.750 1.00 0.00 H ATOM 851 HD13 ILE A 54 20.615 22.970 9.004 1.00 0.00 H ATOM 852 HG21 ILE A 54 22.712 18.377 8.510 1.00 0.00 H ATOM 853 HG22 ILE A 54 22.307 19.126 10.073 1.00 0.00 H ATOM 854 HG23 ILE A 54 21.239 19.365 8.668 1.00 0.00 H ATOM 855 H ILE A 54 24.579 21.141 11.057 1.00 0.00 H ATOM 856 N LYS A 55 25.746 21.451 7.254 1.00 7.74 N ATOM 857 CA LYS A 55 26.428 22.521 6.536 1.00 7.55 C ATOM 858 C LYS A 55 25.434 23.382 5.806 1.00 7.21 C ATOM 859 O LYS A 55 24.513 22.880 5.144 1.00 8.72 O ATOM 860 CB LYS A 55 27.437 21.928 5.565 1.00 8.53 C ATOM 861 CG LYS A 55 28.384 23.013 5.024 1.00 9.85 C ATOM 862 CD LYS A 55 29.483 22.458 4.136 1.00 17.10 C ATOM 863 CE LYS A 55 28.898 21.764 2.909 1.00 20.17 C ATOM 864 NZ LYS A 55 30.020 21.022 2.215 1.00 37.02 N ATOM 865 HA LYS A 55 26.957 23.148 7.254 1.00 0.00 H ATOM 866 HB2 LYS A 55 28.023 21.167 6.080 1.00 0.00 H ATOM 867 HB3 LYS A 55 26.904 21.471 4.731 1.00 0.00 H ATOM 868 HG2 LYS A 55 27.798 23.728 4.446 1.00 0.00 H ATOM 869 HG3 LYS A 55 28.846 23.523 5.869 1.00 0.00 H ATOM 870 HD2 LYS A 55 30.126 23.276 3.810 1.00 0.00 H ATOM 871 HD3 LYS A 55 30.072 21.739 4.705 1.00 0.00 H ATOM 872 HE2 LYS A 55 28.470 22.504 2.233 1.00 0.00 H ATOM 873 HE3 LYS A 55 28.123 21.062 3.215 1.00 0.00 H ATOM 874 HZ1 LYS A 55 30.757 21.698 1.930 1.00 0.00 H ATOM 875 HZ2 LYS A 55 30.425 20.320 2.867 1.00 0.00 H ATOM 876 HZ3 LYS A 55 29.646 20.539 1.373 1.00 0.00 H ATOM 877 H LYS A 55 25.556 20.557 6.757 1.00 0.00 H ATOM 878 N VAL A 56 25.604 24.689 5.927 1.00 6.67 N ATOM 879 CA VAL A 56 24.715 25.672 5.341 1.00 6.77 C ATOM 880 C VAL A 56 25.542 26.765 4.658 1.00 7.05 C ATOM 881 O VAL A 56 26.737 26.880 4.847 1.00 8.24 O ATOM 882 CB VAL A 56 23.787 26.293 6.415 1.00 7.49 C ATOM 883 CG1 VAL A 56 22.908 25.199 7.026 1.00 9.75 C ATOM 884 CG2 VAL A 56 24.550 27.028 7.459 1.00 8.85 C ATOM 885 HA VAL A 56 24.086 25.177 4.601 1.00 0.00 H ATOM 886 HB VAL A 56 23.148 27.031 5.930 1.00 0.00 H ATOM 887 HG11 VAL A 56 22.303 24.742 6.243 1.00 0.00 H ATOM 888 HG12 VAL A 56 23.541 24.441 7.487 1.00 0.00 H ATOM 889 HG13 VAL A 56 22.256 25.638 7.781 1.00 0.00 H ATOM 890 HG21 VAL A 56 25.235 26.342 7.958 1.00 0.00 H ATOM 891 HG22 VAL A 56 25.117 27.834 6.993 1.00 0.00 H ATOM 892 HG23 VAL A 56 23.856 27.445 8.189 1.00 0.00 H ATOM 893 H VAL A 56 26.421 25.029 6.473 1.00 0.00 H ATOM 894 N ARG A 57 24.852 27.550 3.854 1.00 6.72 N ATOM 895 CA ARG A 57 25.379 28.788 3.285 1.00 7.52 C ATOM 896 C ARG A 57 24.865 29.995 4.082 1.00 6.75 C ATOM 897 O ARG A 57 23.669 30.092 4.309 1.00 8.47 O ATOM 898 CB ARG A 57 24.965 28.937 1.844 1.00 7.86 C ATOM 899 CG ARG A 57 25.331 27.791 0.933 1.00 10.10 C ATOM 900 CD ARG A 57 25.047 28.065 -0.510 1.00 14.38 C ATOM 901 NE ARG A 57 23.701 28.402 -1.007 1.00 17.04 N ATOM 902 CZ ARG A 57 22.500 28.000 -1.389 1.00 20.91 C ATOM 903 NH1 ARG A 57 22.212 26.692 -1.334 1.00 13.11 N ATOM 904 NH2 ARG A 57 21.585 28.889 -1.827 1.00 12.65 N ATOM 905 HA ARG A 57 26.467 28.746 3.338 1.00 0.00 H ATOM 906 HB2 ARG A 57 23.881 29.053 1.817 1.00 0.00 H ATOM 907 HB3 ARG A 57 25.435 29.839 1.452 1.00 0.00 H ATOM 908 HG2 ARG A 57 26.396 27.588 1.043 1.00 0.00 H ATOM 909 HG3 ARG A 57 24.762 26.912 1.237 1.00 0.00 H ATOM 910 HD2 ARG A 57 25.354 27.171 -1.053 1.00 0.00 H ATOM 911 HD3 ARG A 57 25.690 28.899 -0.791 1.00 0.00 H ATOM 912 HE ARG A 57 23.691 29.438 -1.101 1.00 0.00 H ATOM 913 HH12 ARG A 57 21.274 26.353 -1.629 1.00 0.00 H ATOM 914 HH11 ARG A 57 22.926 26.016 -0.996 1.00 0.00 H ATOM 915 HH22 ARG A 57 20.644 28.562 -2.125 1.00 0.00 H ATOM 916 HH21 ARG A 57 21.821 29.901 -1.867 1.00 0.00 H ATOM 917 H ARG A 57 23.879 27.273 3.612 1.00 0.00 H ATOM 918 N GLN A 58 25.751 30.879 4.450 1.00 6.98 N ATOM 919 CA GLN A 58 25.405 32.095 5.165 1.00 7.35 C ATOM 920 C GLN A 58 25.315 33.278 4.215 1.00 7.28 C ATOM 921 O GLN A 58 26.343 33.637 3.618 1.00 9.11 O ATOM 922 CB GLN A 58 26.453 32.357 6.243 1.00 7.83 C ATOM 923 CG GLN A 58 26.176 33.621 7.013 1.00 8.87 C ATOM 924 CD GLN A 58 27.228 33.991 7.983 1.00 12.48 C ATOM 925 OE1 GLN A 58 27.836 33.106 8.537 1.00 17.99 O ATOM 926 NE2 GLN A 58 27.450 35.279 8.215 1.00 15.98 N ATOM 927 HA GLN A 58 24.427 31.968 5.629 1.00 0.00 H ATOM 928 HB2 GLN A 58 26.459 31.517 6.938 1.00 0.00 H ATOM 929 HB3 GLN A 58 27.431 32.442 5.769 1.00 0.00 H ATOM 930 HG2 GLN A 58 26.068 34.438 6.299 1.00 0.00 H ATOM 931 HG3 GLN A 58 25.241 33.490 7.558 1.00 0.00 H ATOM 932 HE22 GLN A 58 26.898 36.001 7.710 1.00 0.00 H ATOM 933 HE21 GLN A 58 28.176 35.566 8.902 1.00 0.00 H ATOM 934 H GLN A 58 26.750 30.705 4.221 1.00 0.00 H ATOM 935 N TYR A 59 24.151 33.878 4.117 1.00 7.23 N ATOM 936 CA TYR A 59 23.901 35.093 3.334 1.00 7.60 C ATOM 937 C TYR A 59 23.608 36.230 4.296 1.00 7.80 C ATOM 938 O TYR A 59 22.815 36.090 5.223 1.00 9.61 O ATOM 939 CB TYR A 59 22.716 34.885 2.419 1.00 8.36 C ATOM 940 CG TYR A 59 22.898 33.890 1.309 1.00 8.06 C ATOM 941 CD1 TYR A 59 22.634 32.533 1.453 1.00 8.37 C ATOM 942 CD2 TYR A 59 23.365 34.316 0.059 1.00 10.26 C ATOM 943 CE1 TYR A 59 22.794 31.635 0.412 1.00 9.82 C ATOM 944 CE2 TYR A 59 23.524 33.421 -0.998 1.00 10.44 C ATOM 945 CZ TYR A 59 23.250 32.104 -0.802 1.00 11.32 C ATOM 946 OH TYR A 59 23.397 31.188 -1.835 1.00 15.25 O ATOM 947 HA TYR A 59 24.774 35.328 2.725 1.00 0.00 H ATOM 948 HB3 TYR A 59 22.473 35.846 1.967 1.00 0.00 H ATOM 949 HB2 TYR A 59 21.878 34.550 3.031 1.00 0.00 H ATOM 950 HD2 TYR A 59 23.609 35.368 -0.090 1.00 0.00 H ATOM 951 HE2 TYR A 59 23.865 33.774 -1.972 1.00 0.00 H ATOM 952 HE1 TYR A 59 22.564 30.578 0.549 1.00 0.00 H ATOM 953 HD1 TYR A 59 22.289 32.163 2.419 1.00 0.00 H ATOM 954 HH TYR A 59 22.803 31.441 -2.586 1.00 0.00 H ATOM 955 H TYR A 59 23.349 33.462 4.632 1.00 0.00 H ATOM 956 N ASP A 60 24.174 37.373 4.081 1.00 9.66 N ATOM 957 CA ASP A 60 23.974 38.548 4.936 1.00 10.82 C ATOM 958 C ASP A 60 22.979 39.523 4.367 1.00 10.69 C ATOM 959 O ASP A 60 22.734 39.578 3.141 1.00 11.91 O ATOM 960 CB ASP A 60 25.363 39.197 5.228 1.00 15.08 C ATOM 961 CG ASP A 60 26.257 38.360 6.149 1.00 19.97 C ATOM 962 OD1 ASP A 60 25.891 37.388 6.825 1.00 21.36 O ATOM 963 OD2 ASP A 60 27.465 38.700 6.203 1.00 34.24 O ATOM 964 HA ASP A 60 23.529 38.228 5.878 1.00 0.00 H ATOM 965 HB2 ASP A 60 25.882 39.338 4.280 1.00 0.00 H ATOM 966 HB3 ASP A 60 25.197 40.166 5.698 1.00 0.00 H ATOM 967 H ASP A 60 24.804 37.464 3.259 1.00 0.00 H ATOM 968 N GLN A 61 22.401 40.346 5.221 1.00 10.68 N ATOM 969 CA GLN A 61 21.578 41.464 4.795 1.00 12.44 C ATOM 970 C GLN A 61 20.409 41.066 3.933 1.00 11.22 C ATOM 971 O GLN A 61 20.092 41.701 2.916 1.00 15.14 O ATOM 972 CB GLN A 61 22.415 42.547 4.120 1.00 18.62 C ATOM 973 CG GLN A 61 23.430 43.120 5.106 1.00 30.73 C ATOM 974 CD GLN A 61 22.806 44.168 6.017 1.00 39.88 C ATOM 975 OE1 GLN A 61 22.134 43.846 6.991 1.00 56.47 O ATOM 976 NE2 GLN A 61 23.052 45.423 5.685 1.00 54.31 N ATOM 977 HA GLN A 61 21.149 41.875 5.709 1.00 0.00 H ATOM 978 HB2 GLN A 61 22.943 42.117 3.269 1.00 0.00 H ATOM 979 HB3 GLN A 61 21.759 43.346 3.773 1.00 0.00 H ATOM 980 HG2 GLN A 61 23.823 42.309 5.719 1.00 0.00 H ATOM 981 HG3 GLN A 61 24.245 43.579 4.547 1.00 0.00 H ATOM 982 HE22 GLN A 61 23.630 45.635 4.847 1.00 0.00 H ATOM 983 HE21 GLN A 61 22.668 46.198 6.262 1.00 0.00 H ATOM 984 H GLN A 61 22.540 40.188 6.239 1.00 0.00 H ATOM 985 N ILE A 62 19.721 40.016 4.368 1.00 8.82 N ATOM 986 CA ILE A 62 18.547 39.512 3.678 1.00 8.99 C ATOM 987 C ILE A 62 17.287 40.048 4.355 1.00 10.74 C ATOM 988 O ILE A 62 17.146 39.966 5.573 1.00 11.87 O ATOM 989 CB ILE A 62 18.552 37.996 3.683 1.00 8.94 C ATOM 990 CG1 ILE A 62 19.805 37.422 3.028 1.00 9.57 C ATOM 991 CG2 ILE A 62 17.272 37.419 3.078 1.00 11.65 C ATOM 992 CD1 ILE A 62 19.938 37.759 1.561 1.00 10.32 C ATOM 993 HA ILE A 62 18.562 39.851 2.642 1.00 0.00 H ATOM 994 HB ILE A 62 18.576 37.685 4.727 1.00 0.00 H ATOM 995 HG12 ILE A 62 20.677 37.815 3.551 1.00 0.00 H ATOM 996 HG13 ILE A 62 19.780 36.337 3.130 1.00 0.00 H ATOM 997 HD11 ILE A 62 19.079 37.362 1.019 1.00 0.00 H ATOM 998 HD12 ILE A 62 19.977 38.842 1.440 1.00 0.00 H ATOM 999 HD13 ILE A 62 20.853 37.315 1.169 1.00 0.00 H ATOM 1000 HG21 ILE A 62 16.413 37.760 3.656 1.00 0.00 H ATOM 1001 HG22 ILE A 62 17.175 37.757 2.046 1.00 0.00 H ATOM 1002 HG23 ILE A 62 17.319 36.330 3.102 1.00 0.00 H ATOM 1003 H ILE A 62 20.035 39.537 5.236 1.00 0.00 H ATOM 1004 N ILE A 63 16.378 40.585 3.567 1.00 13.40 N ATOM 1005 CA ILE A 63 15.105 41.029 4.082 1.00 15.21 C ATOM 1006 C ILE A 63 14.112 39.937 4.093 1.00 15.51 C ATOM 1007 O ILE A 63 13.923 39.155 3.170 1.00 16.01 O ATOM 1008 CB ILE A 63 14.599 42.209 3.225 1.00 20.49 C ATOM 1009 CG1 ILE A 63 15.612 43.364 3.190 1.00 25.78 C ATOM 1010 CG2 ILE A 63 13.214 42.627 3.711 1.00 28.11 C ATOM 1011 CD1 ILE A 63 15.507 44.311 1.990 1.00 46.96 C ATOM 1012 HA ILE A 63 15.240 41.352 5.114 1.00 0.00 H ATOM 1013 HB ILE A 63 14.502 41.891 2.187 1.00 0.00 H ATOM 1014 HG12 ILE A 63 15.476 43.955 4.095 1.00 0.00 H ATOM 1015 HG13 ILE A 63 16.612 42.931 3.187 1.00 0.00 H ATOM 1016 HD11 ILE A 63 15.657 43.747 1.069 1.00 0.00 H ATOM 1017 HD12 ILE A 63 14.519 44.772 1.978 1.00 0.00 H ATOM 1018 HD13 ILE A 63 16.270 45.085 2.072 1.00 0.00 H ATOM 1019 HG21 ILE A 63 12.528 41.785 3.616 1.00 0.00 H ATOM 1020 HG22 ILE A 63 13.274 42.933 4.756 1.00 0.00 H ATOM 1021 HG23 ILE A 63 12.855 43.460 3.107 1.00 0.00 H ATOM 1022 H ILE A 63 16.582 40.691 2.553 1.00 0.00 H ATOM 1023 N ILE A 64 13.333 39.931 5.146 1.00 19.47 N ATOM 1024 CA ILE A 64 12.378 38.865 5.379 1.00 17.60 C ATOM 1025 C ILE A 64 11.140 39.558 5.918 1.00 16.03 C ATOM 1026 O ILE A 64 11.266 40.434 6.772 1.00 27.13 O ATOM 1027 CB ILE A 64 13.042 38.010 6.473 1.00 23.16 C ATOM 1028 CG1 ILE A 64 12.173 36.850 6.888 1.00 22.46 C ATOM 1029 CG2 ILE A 64 13.434 38.938 7.635 1.00 20.37 C ATOM 1030 CD1 ILE A 64 12.712 35.462 6.857 1.00 24.93 C ATOM 1031 HA ILE A 64 12.116 38.257 4.513 1.00 0.00 H ATOM 1032 HB ILE A 64 13.948 37.541 6.088 1.00 0.00 H ATOM 1033 HG12 ILE A 64 11.861 37.043 7.914 1.00 0.00 H ATOM 1034 HG13 ILE A 64 11.300 36.862 6.236 1.00 0.00 H ATOM 1035 HD11 ILE A 64 13.013 35.213 5.839 1.00 0.00 H ATOM 1036 HD12 ILE A 64 13.575 35.394 7.520 1.00 0.00 H ATOM 1037 HD13 ILE A 64 11.941 34.767 7.189 1.00 0.00 H ATOM 1038 HG21 ILE A 64 14.131 39.695 7.275 1.00 0.00 H ATOM 1039 HG22 ILE A 64 12.541 39.423 8.028 1.00 0.00 H ATOM 1040 HG23 ILE A 64 13.907 38.352 8.423 1.00 0.00 H ATOM 1041 H ILE A 64 13.401 40.710 5.832 1.00 0.00 H ATOM 1042 N GLU A 65 9.957 39.171 5.508 1.00 10.53 N ATOM 1043 CA GLU A 65 8.724 39.602 6.125 1.00 11.19 C ATOM 1044 C GLU A 65 8.195 38.446 6.939 1.00 11.28 C ATOM 1045 O GLU A 65 8.008 37.350 6.411 1.00 14.60 O ATOM 1046 CB GLU A 65 7.720 40.012 5.041 1.00 16.56 C ATOM 1047 CG GLU A 65 6.544 40.732 5.747 1.00 28.34 C ATOM 1048 CD GLU A 65 5.720 41.478 4.750 1.00 46.62 C ATOM 1049 OE1 GLU A 65 6.234 42.372 4.043 1.00 83.16 O ATOM 1050 OE2 GLU A 65 4.512 41.139 4.714 1.00 65.49 O ATOM 1051 HA GLU A 65 8.888 40.465 6.770 1.00 0.00 H ATOM 1052 HB2 GLU A 65 8.195 40.686 4.328 1.00 0.00 H ATOM 1053 HB3 GLU A 65 7.356 39.128 4.517 1.00 0.00 H ATOM 1054 HG2 GLU A 65 5.919 39.993 6.250 1.00 0.00 H ATOM 1055 HG3 GLU A 65 6.940 41.432 6.483 1.00 0.00 H ATOM 1056 H GLU A 65 9.903 38.521 4.698 1.00 0.00 H ATOM 1057 N ILE A 66 7.994 38.619 8.246 1.00 11.25 N ATOM 1058 CA ILE A 66 7.572 37.543 9.164 1.00 10.61 C ATOM 1059 C ILE A 66 6.201 37.878 9.716 1.00 11.84 C ATOM 1060 O ILE A 66 6.112 38.867 10.494 1.00 13.13 O ATOM 1061 CB ILE A 66 8.589 37.340 10.285 1.00 10.84 C ATOM 1062 CG1 ILE A 66 10.000 37.071 9.729 1.00 11.94 C ATOM 1063 CG2 ILE A 66 8.129 36.257 11.267 1.00 13.02 C ATOM 1064 CD1 ILE A 66 11.086 37.302 10.747 1.00 15.74 C ATOM 1065 HA ILE A 66 7.518 36.602 8.616 1.00 0.00 H ATOM 1066 HB ILE A 66 8.651 38.270 10.850 1.00 0.00 H ATOM 1067 HG12 ILE A 66 10.051 36.035 9.395 1.00 0.00 H ATOM 1068 HG13 ILE A 66 10.172 37.733 8.881 1.00 0.00 H ATOM 1069 HD11 ILE A 66 11.053 38.339 11.083 1.00 0.00 H ATOM 1070 HD12 ILE A 66 10.932 36.638 11.598 1.00 0.00 H ATOM 1071 HD13 ILE A 66 12.056 37.096 10.295 1.00 0.00 H ATOM 1072 HG21 ILE A 66 7.178 36.551 11.711 1.00 0.00 H ATOM 1073 HG22 ILE A 66 8.007 35.314 10.735 1.00 0.00 H ATOM 1074 HG23 ILE A 66 8.876 36.139 12.052 1.00 0.00 H ATOM 1075 H ILE A 66 8.144 39.569 8.642 1.00 0.00 H ATOM 1076 N ALA A 67 5.182 37.151 9.345 1.00 13.35 N ATOM 1077 CA ALA A 67 3.817 37.437 9.772 1.00 15.72 C ATOM 1078 C ALA A 67 3.497 38.932 9.619 1.00 16.69 C ATOM 1079 O ALA A 67 2.894 39.560 10.503 1.00 20.68 O ATOM 1080 CB ALA A 67 3.561 36.943 11.189 1.00 19.93 C ATOM 1081 HA ALA A 67 3.138 36.888 9.119 1.00 0.00 H ATOM 1082 HB1 ALA A 67 3.718 35.865 11.230 1.00 0.00 H ATOM 1083 HB2 ALA A 67 4.249 37.438 11.875 1.00 0.00 H ATOM 1084 HB3 ALA A 67 2.534 37.173 11.473 1.00 0.00 H ATOM 1085 H ALA A 67 5.350 36.336 8.721 1.00 0.00 H ATOM 1086 N GLY A 68 3.947 39.497 8.482 1.00 17.43 N ATOM 1087 CA GLY A 68 3.663 40.915 8.201 1.00 17.53 C ATOM 1088 C GLY A 68 4.629 41.931 8.758 1.00 16.53 C ATOM 1089 O GLY A 68 4.457 43.147 8.540 1.00 22.47 O ATOM 1090 HA3 GLY A 68 2.677 41.140 8.609 1.00 0.00 H ATOM 1091 HA2 GLY A 68 3.644 41.038 7.118 1.00 0.00 H ATOM 1092 H GLY A 68 4.495 38.932 7.802 1.00 0.00 H ATOM 1093 N HIS A 69 5.651 41.531 9.468 1.00 14.33 N ATOM 1094 CA HIS A 69 6.629 42.406 10.089 1.00 14.11 C ATOM 1095 C HIS A 69 7.984 42.254 9.358 1.00 14.85 C ATOM 1096 O HIS A 69 8.527 41.148 9.282 1.00 13.62 O ATOM 1097 CB HIS A 69 6.856 42.032 11.560 1.00 16.49 C ATOM 1098 CG HIS A 69 5.701 42.267 12.447 1.00 18.31 C ATOM 1099 ND1 HIS A 69 4.513 41.583 12.519 1.00 26.20 N ATOM 1100 CD2 HIS A 69 5.645 43.253 13.365 1.00 24.67 C ATOM 1101 CE1 HIS A 69 3.734 42.125 13.450 1.00 26.84 C ATOM 1102 NE2 HIS A 69 4.406 43.129 13.956 1.00 28.90 N ATOM 1103 HA HIS A 69 6.251 43.426 10.026 1.00 0.00 H ATOM 1104 HB2 HIS A 69 7.108 40.972 11.605 1.00 0.00 H ATOM 1105 HB3 HIS A 69 7.695 42.620 11.933 1.00 0.00 H ATOM 1106 HD2 HIS A 69 6.415 43.991 13.591 1.00 0.00 H ATOM 1107 HE1 HIS A 69 2.734 41.799 13.736 1.00 0.00 H ATOM 1108 H HIS A 69 5.773 40.506 9.598 1.00 0.00 H ATOM 1109 N LYS A 70 8.519 43.344 8.829 1.00 15.59 N ATOM 1110 CA LYS A 70 9.764 43.258 8.066 1.00 16.18 C ATOM 1111 C LYS A 70 10.980 43.309 8.995 1.00 16.57 C ATOM 1112 O LYS A 70 11.035 43.983 9.997 1.00 20.16 O ATOM 1113 CB LYS A 70 9.804 44.354 6.983 1.00 24.49 C ATOM 1114 CG LYS A 70 8.893 44.045 5.790 1.00 36.72 C ATOM 1115 CD LYS A 70 8.805 45.183 4.773 1.00 45.02 C ATOM 1116 CE LYS A 70 7.524 45.074 3.953 1.00 51.82 C ATOM 1117 NZ LYS A 70 7.412 46.038 2.821 1.00 62.98 N ATOM 1118 HA LYS A 70 9.801 42.295 7.556 1.00 0.00 H ATOM 1119 HB2 LYS A 70 9.486 45.296 7.429 1.00 0.00 H ATOM 1120 HB3 LYS A 70 10.828 44.451 6.623 1.00 0.00 H ATOM 1121 HG2 LYS A 70 9.277 43.159 5.284 1.00 0.00 H ATOM 1122 HG3 LYS A 70 7.890 43.841 6.166 1.00 0.00 H ATOM 1123 HD2 LYS A 70 8.812 46.137 5.301 1.00 0.00 H ATOM 1124 HD3 LYS A 70 9.664 45.133 4.104 1.00 0.00 H ATOM 1125 HE2 LYS A 70 6.680 45.239 4.622 1.00 0.00 H ATOM 1126 HE3 LYS A 70 7.470 44.065 3.544 1.00 0.00 H ATOM 1127 HZ1 LYS A 70 7.447 47.010 3.190 1.00 0.00 H ATOM 1128 HZ2 LYS A 70 8.201 45.888 2.160 1.00 0.00 H ATOM 1129 HZ3 LYS A 70 6.510 45.886 2.326 1.00 0.00 H ATOM 1130 H LYS A 70 8.052 44.265 8.957 1.00 0.00 H ATOM 1131 N ALA A 71 11.993 42.542 8.595 1.00 16.40 N ATOM 1132 CA ALA A 71 13.234 42.475 9.352 1.00 17.16 C ATOM 1133 C ALA A 71 14.366 42.218 8.352 1.00 14.13 C ATOM 1134 O ALA A 71 14.151 41.708 7.259 1.00 23.31 O ATOM 1135 CB ALA A 71 13.202 41.374 10.394 1.00 22.21 C ATOM 1136 HA ALA A 71 13.383 43.412 9.889 1.00 0.00 H ATOM 1137 HB1 ALA A 71 12.385 41.559 11.092 1.00 0.00 H ATOM 1138 HB2 ALA A 71 13.050 40.414 9.901 1.00 0.00 H ATOM 1139 HB3 ALA A 71 14.148 41.360 10.935 1.00 0.00 H ATOM 1140 H ALA A 71 11.895 41.980 7.725 1.00 0.00 H ATOM 1141 N ILE A 72 15.558 42.579 8.728 1.00 10.58 N ATOM 1142 CA ILE A 72 16.746 42.308 7.894 1.00 10.02 C ATOM 1143 C ILE A 72 17.786 41.618 8.772 1.00 8.65 C ATOM 1144 O ILE A 72 17.952 41.948 9.936 1.00 9.55 O ATOM 1145 CB ILE A 72 17.327 43.564 7.191 1.00 11.99 C ATOM 1146 CG1 ILE A 72 18.422 43.257 6.178 1.00 13.39 C ATOM 1147 CG2 ILE A 72 17.795 44.560 8.210 1.00 14.83 C ATOM 1148 CD1 ILE A 72 18.685 44.380 5.201 1.00 17.00 C ATOM 1149 HA ILE A 72 16.445 41.660 7.071 1.00 0.00 H ATOM 1150 HB ILE A 72 16.511 43.995 6.611 1.00 0.00 H ATOM 1151 HG12 ILE A 72 19.344 43.051 6.721 1.00 0.00 H ATOM 1152 HG13 ILE A 72 18.129 42.372 5.613 1.00 0.00 H ATOM 1153 HD11 ILE A 72 17.775 44.592 4.639 1.00 0.00 H ATOM 1154 HD12 ILE A 72 18.992 45.272 5.748 1.00 0.00 H ATOM 1155 HD13 ILE A 72 19.477 44.084 4.514 1.00 0.00 H ATOM 1156 HG21 ILE A 72 16.955 44.859 8.837 1.00 0.00 H ATOM 1157 HG22 ILE A 72 18.569 44.108 8.829 1.00 0.00 H ATOM 1158 HG23 ILE A 72 18.200 45.435 7.702 1.00 0.00 H ATOM 1159 H ILE A 72 15.677 43.070 9.637 1.00 0.00 H ATOM 1160 N GLY A 73 18.489 40.657 8.161 1.00 8.29 N ATOM 1161 CA GLY A 73 19.558 40.024 8.894 1.00 8.95 C ATOM 1162 C GLY A 73 20.151 38.883 8.076 1.00 8.40 C ATOM 1163 O GLY A 73 19.926 38.691 6.921 1.00 9.07 O ATOM 1164 HA3 GLY A 73 19.168 39.630 9.833 1.00 0.00 H ATOM 1165 HA2 GLY A 73 20.335 40.759 9.105 1.00 0.00 H ATOM 1166 H GLY A 73 18.271 40.374 7.184 1.00 0.00 H ATOM 1167 N THR A 74 20.971 38.132 8.788 1.00 7.99 N ATOM 1168 CA THR A 74 21.645 36.975 8.183 1.00 8.02 C ATOM 1169 C THR A 74 20.676 35.828 8.082 1.00 7.55 C ATOM 1170 O THR A 74 19.902 35.533 9.020 1.00 8.66 O ATOM 1171 CB THR A 74 22.836 36.574 9.072 1.00 9.60 C ATOM 1172 OG1 THR A 74 23.727 37.709 9.056 1.00 11.62 O ATOM 1173 CG2 THR A 74 23.548 35.332 8.601 1.00 10.62 C ATOM 1174 HA THR A 74 22.001 37.230 7.185 1.00 0.00 H ATOM 1175 HB THR A 74 22.485 36.326 10.074 1.00 0.00 H ATOM 1176 HG1 THR A 74 24.520 37.512 9.615 1.00 0.00 H ATOM 1177 HG23 THR A 74 22.857 34.489 8.621 1.00 0.00 H ATOM 1178 HG21 THR A 74 23.907 35.485 7.583 1.00 0.00 H ATOM 1179 HG22 THR A 74 24.393 35.127 9.259 1.00 0.00 H ATOM 1180 H THR A 74 21.142 38.362 9.788 1.00 0.00 H ATOM 1181 N VAL A 75 20.704 35.117 6.966 1.00 6.92 N ATOM 1182 CA VAL A 75 19.903 33.936 6.728 1.00 6.84 C ATOM 1183 C VAL A 75 20.833 32.823 6.288 1.00 6.51 C ATOM 1184 O VAL A 75 21.649 32.988 5.391 1.00 7.22 O ATOM 1185 CB VAL A 75 18.788 34.212 5.713 1.00 7.92 C ATOM 1186 CG1 VAL A 75 17.992 32.956 5.349 1.00 9.06 C ATOM 1187 CG2 VAL A 75 17.833 35.299 6.239 1.00 9.49 C ATOM 1188 HA VAL A 75 19.393 33.632 7.642 1.00 0.00 H ATOM 1189 HB VAL A 75 19.278 34.561 4.804 1.00 0.00 H ATOM 1190 HG11 VAL A 75 18.663 32.215 4.914 1.00 0.00 H ATOM 1191 HG12 VAL A 75 17.531 32.547 6.248 1.00 0.00 H ATOM 1192 HG13 VAL A 75 17.217 33.215 4.627 1.00 0.00 H ATOM 1193 HG21 VAL A 75 17.385 34.965 7.175 1.00 0.00 H ATOM 1194 HG22 VAL A 75 18.391 36.219 6.410 1.00 0.00 H ATOM 1195 HG23 VAL A 75 17.049 35.479 5.503 1.00 0.00 H ATOM 1196 H VAL A 75 21.345 35.428 6.209 1.00 0.00 H ATOM 1197 N LEU A 76 20.663 31.672 6.929 1.00 5.74 N ATOM 1198 CA LEU A 76 21.388 30.471 6.567 1.00 6.18 C ATOM 1199 C LEU A 76 20.486 29.593 5.696 1.00 5.96 C ATOM 1200 O LEU A 76 19.280 29.483 5.970 1.00 8.27 O ATOM 1201 CB LEU A 76 21.773 29.696 7.827 1.00 6.04 C ATOM 1202 CG LEU A 76 22.488 30.514 8.911 1.00 6.45 C ATOM 1203 CD1 LEU A 76 22.823 29.642 10.102 1.00 7.79 C ATOM 1204 CD2 LEU A 76 23.704 31.231 8.340 1.00 7.67 C ATOM 1205 HA LEU A 76 22.292 30.743 6.022 1.00 0.00 H ATOM 1206 HB2 LEU A 76 20.861 29.286 8.261 1.00 0.00 H ATOM 1207 HB3 LEU A 76 22.432 28.880 7.532 1.00 0.00 H ATOM 1208 HG LEU A 76 21.813 31.291 9.270 1.00 0.00 H ATOM 1209 HD21 LEU A 76 24.402 30.496 7.938 1.00 0.00 H ATOM 1210 HD22 LEU A 76 23.386 31.905 7.545 1.00 0.00 H ATOM 1211 HD23 LEU A 76 24.191 31.803 9.130 1.00 0.00 H ATOM 1212 HD11 LEU A 76 21.904 29.229 10.519 1.00 0.00 H ATOM 1213 HD12 LEU A 76 23.476 28.829 9.784 1.00 0.00 H ATOM 1214 HD13 LEU A 76 23.329 30.241 10.859 1.00 0.00 H ATOM 1215 H LEU A 76 19.986 31.632 7.718 1.00 0.00 H ATOM 1216 N VAL A 77 21.051 28.983 4.674 1.00 6.18 N ATOM 1217 CA VAL A 77 20.296 28.168 3.737 1.00 6.38 C ATOM 1218 C VAL A 77 20.921 26.792 3.676 1.00 6.65 C ATOM 1219 O VAL A 77 22.147 26.659 3.446 1.00 7.06 O ATOM 1220 CB VAL A 77 20.284 28.823 2.316 1.00 7.92 C ATOM 1221 CG1 VAL A 77 19.554 27.934 1.361 1.00 9.98 C ATOM 1222 CG2 VAL A 77 19.613 30.194 2.407 1.00 9.48 C ATOM 1223 HA VAL A 77 19.263 28.090 4.076 1.00 0.00 H ATOM 1224 HB VAL A 77 21.303 28.952 1.951 1.00 0.00 H ATOM 1225 HG11 VAL A 77 20.055 26.967 1.311 1.00 0.00 H ATOM 1226 HG12 VAL A 77 18.529 27.796 1.706 1.00 0.00 H ATOM 1227 HG13 VAL A 77 19.547 28.393 0.372 1.00 0.00 H ATOM 1228 HG21 VAL A 77 18.591 30.074 2.766 1.00 0.00 H ATOM 1229 HG22 VAL A 77 20.171 30.825 3.099 1.00 0.00 H ATOM 1230 HG23 VAL A 77 19.601 30.657 1.420 1.00 0.00 H ATOM 1231 H VAL A 77 22.076 29.089 4.532 1.00 0.00 H ATOM 1232 N GLY A 78 20.133 25.741 3.826 1.00 7.11 N ATOM 1233 CA GLY A 78 20.663 24.402 3.738 1.00 7.92 C ATOM 1234 C GLY A 78 19.603 23.379 4.092 1.00 8.22 C ATOM 1235 O GLY A 78 18.416 23.676 4.108 1.00 9.07 O ATOM 1236 HA3 GLY A 78 21.500 24.303 4.429 1.00 0.00 H ATOM 1237 HA2 GLY A 78 21.009 24.221 2.721 1.00 0.00 H ATOM 1238 H GLY A 78 19.119 25.881 4.010 1.00 0.00 H ATOM 1239 N PRO A 79 20.064 22.137 4.359 1.00 8.60 N ATOM 1240 CA PRO A 79 19.103 21.017 4.459 1.00 9.77 C ATOM 1241 C PRO A 79 18.495 20.875 5.827 1.00 9.81 C ATOM 1242 O PRO A 79 18.556 19.834 6.494 1.00 12.31 O ATOM 1243 CB PRO A 79 20.009 19.819 4.045 1.00 11.59 C ATOM 1244 CG PRO A 79 21.367 20.217 4.624 1.00 10.88 C ATOM 1245 CD PRO A 79 21.448 21.693 4.316 1.00 9.70 C ATOM 1246 HA PRO A 79 18.214 21.131 3.839 1.00 0.00 H ATOM 1247 HD3 PRO A 79 22.046 22.213 5.064 1.00 0.00 H ATOM 1248 HD2 PRO A 79 21.879 21.860 3.329 1.00 0.00 H ATOM 1249 HG3 PRO A 79 22.176 19.670 4.139 1.00 0.00 H ATOM 1250 HG2 PRO A 79 21.403 20.038 5.699 1.00 0.00 H ATOM 1251 HB2 PRO A 79 19.653 18.886 4.481 1.00 0.00 H ATOM 1252 HB3 PRO A 79 20.057 19.717 2.961 1.00 0.00 H ATOM 1253 N THR A 80 17.860 21.925 6.296 1.00 9.52 N ATOM 1254 CA THR A 80 17.139 21.900 7.534 1.00 9.50 C ATOM 1255 C THR A 80 15.835 21.139 7.343 1.00 10.44 C ATOM 1256 O THR A 80 15.149 21.315 6.309 1.00 11.81 O ATOM 1257 CB THR A 80 16.853 23.331 8.031 1.00 9.30 C ATOM 1258 OG1 THR A 80 16.088 23.187 9.245 1.00 10.37 O ATOM 1259 CG2 THR A 80 16.133 24.222 7.049 1.00 9.68 C ATOM 1260 HA THR A 80 17.747 21.397 8.286 1.00 0.00 H ATOM 1261 HB THR A 80 17.806 23.838 8.183 1.00 0.00 H ATOM 1262 HG1 THR A 80 15.876 24.083 9.608 1.00 0.00 H ATOM 1263 HG23 THR A 80 16.729 24.316 6.141 1.00 0.00 H ATOM 1264 HG21 THR A 80 15.165 23.785 6.806 1.00 0.00 H ATOM 1265 HG22 THR A 80 15.987 25.207 7.493 1.00 0.00 H ATOM 1266 H THR A 80 17.881 22.808 5.748 1.00 0.00 H ATOM 1267 N PRO A 81 15.363 20.356 8.320 1.00 11.59 N ATOM 1268 CA PRO A 81 14.076 19.688 8.215 1.00 13.50 C ATOM 1269 C PRO A 81 12.868 20.626 8.178 1.00 11.46 C ATOM 1270 O PRO A 81 11.784 20.283 7.702 1.00 14.97 O ATOM 1271 CB PRO A 81 14.050 18.829 9.491 1.00 17.68 C ATOM 1272 CG PRO A 81 15.411 18.816 10.057 1.00 20.23 C ATOM 1273 CD PRO A 81 16.121 19.980 9.551 1.00 13.55 C ATOM 1274 HA PRO A 81 13.992 19.139 7.277 1.00 0.00 H ATOM 1275 HD3 PRO A 81 16.106 20.791 10.279 1.00 0.00 H ATOM 1276 HD2 PRO A 81 17.154 19.730 9.309 1.00 0.00 H ATOM 1277 HG3 PRO A 81 15.929 17.906 9.754 1.00 0.00 H ATOM 1278 HG2 PRO A 81 15.360 18.858 11.145 1.00 0.00 H ATOM 1279 HB2 PRO A 81 13.353 19.257 10.212 1.00 0.00 H ATOM 1280 HB3 PRO A 81 13.740 17.813 9.247 1.00 0.00 H ATOM 1281 N VAL A 82 12.967 21.800 8.734 1.00 10.94 N ATOM 1282 CA VAL A 82 11.918 22.787 8.897 1.00 11.28 C ATOM 1283 C VAL A 82 12.534 24.183 8.745 1.00 8.68 C ATOM 1284 O VAL A 82 13.657 24.410 9.231 1.00 9.59 O ATOM 1285 CB VAL A 82 11.034 22.643 10.143 1.00 15.12 C ATOM 1286 CG1 VAL A 82 10.327 21.301 10.147 1.00 19.12 C ATOM 1287 CG2 VAL A 82 11.866 22.841 11.380 1.00 18.34 C ATOM 1288 HA VAL A 82 11.192 22.608 8.104 1.00 0.00 H ATOM 1289 HB VAL A 82 10.261 23.411 10.128 1.00 0.00 H ATOM 1290 HG11 VAL A 82 9.701 21.219 9.259 1.00 0.00 H ATOM 1291 HG12 VAL A 82 11.068 20.501 10.146 1.00 0.00 H ATOM 1292 HG13 VAL A 82 9.706 21.221 11.039 1.00 0.00 H ATOM 1293 HG21 VAL A 82 12.657 22.091 11.408 1.00 0.00 H ATOM 1294 HG22 VAL A 82 12.308 23.837 11.363 1.00 0.00 H ATOM 1295 HG23 VAL A 82 11.234 22.738 12.262 1.00 0.00 H ATOM 1296 H VAL A 82 13.905 22.058 9.103 1.00 0.00 H ATOM 1297 N ASN A 83 11.821 25.105 8.145 1.00 8.06 N ATOM 1298 CA ASN A 83 12.257 26.512 8.097 1.00 7.31 C ATOM 1299 C ASN A 83 12.146 27.085 9.527 1.00 6.85 C ATOM 1300 O ASN A 83 11.131 26.889 10.171 1.00 7.69 O ATOM 1301 CB ASN A 83 11.431 27.337 7.151 1.00 8.11 C ATOM 1302 CG ASN A 83 11.507 26.898 5.706 1.00 9.01 C ATOM 1303 OD1 ASN A 83 12.572 26.615 5.230 1.00 12.18 O ATOM 1304 ND2 ASN A 83 10.342 26.834 5.043 1.00 10.61 N ATOM 1305 HA ASN A 83 13.282 26.551 7.729 1.00 0.00 H ATOM 1306 HB2 ASN A 83 10.390 27.281 7.470 1.00 0.00 H ATOM 1307 HB3 ASN A 83 11.773 28.370 7.212 1.00 0.00 H ATOM 1308 HD22 ASN A 83 9.456 27.095 5.521 1.00 0.00 H ATOM 1309 HD21 ASN A 83 10.325 26.523 4.051 1.00 0.00 H ATOM 1310 H ASN A 83 10.925 24.837 7.691 1.00 0.00 H ATOM 1311 N ILE A 84 13.210 27.745 9.951 1.00 6.39 N ATOM 1312 CA ILE A 84 13.353 28.236 11.312 1.00 6.40 C ATOM 1313 C ILE A 84 13.647 29.719 11.316 1.00 6.24 C ATOM 1314 O ILE A 84 14.589 30.164 10.688 1.00 6.96 O ATOM 1315 CB ILE A 84 14.513 27.481 12.000 1.00 7.19 C ATOM 1316 CG1 ILE A 84 14.176 26.011 12.197 1.00 8.06 C ATOM 1317 CG2 ILE A 84 14.945 28.150 13.297 1.00 9.64 C ATOM 1318 CD1 ILE A 84 15.363 25.142 12.456 1.00 9.59 C ATOM 1319 HA ILE A 84 12.420 28.066 11.850 1.00 0.00 H ATOM 1320 HB ILE A 84 15.372 27.529 11.330 1.00 0.00 H ATOM 1321 HG12 ILE A 84 13.498 25.926 13.046 1.00 0.00 H ATOM 1322 HG13 ILE A 84 13.677 25.650 11.297 1.00 0.00 H ATOM 1323 HD11 ILE A 84 16.048 25.204 11.611 1.00 0.00 H ATOM 1324 HD12 ILE A 84 15.868 25.480 13.361 1.00 0.00 H ATOM 1325 HD13 ILE A 84 15.035 24.110 12.585 1.00 0.00 H ATOM 1326 HG21 ILE A 84 15.279 29.166 13.087 1.00 0.00 H ATOM 1327 HG22 ILE A 84 14.102 28.179 13.988 1.00 0.00 H ATOM 1328 HG23 ILE A 84 15.762 27.582 13.742 1.00 0.00 H ATOM 1329 H ILE A 84 13.983 27.922 9.278 1.00 0.00 H ATOM 1330 N ILE A 85 12.837 30.478 12.074 1.00 6.61 N ATOM 1331 CA ILE A 85 13.124 31.882 12.392 1.00 6.39 C ATOM 1332 C ILE A 85 13.781 31.915 13.749 1.00 6.20 C ATOM 1333 O ILE A 85 13.145 31.519 14.753 1.00 7.42 O ATOM 1334 CB ILE A 85 11.788 32.647 12.495 1.00 8.23 C ATOM 1335 CG1 ILE A 85 10.856 32.366 11.316 1.00 10.23 C ATOM 1336 CG2 ILE A 85 12.008 34.135 12.719 1.00 8.70 C ATOM 1337 CD1 ILE A 85 9.832 33.443 11.038 1.00 18.20 C ATOM 1338 HA ILE A 85 13.761 32.329 11.629 1.00 0.00 H ATOM 1339 HB ILE A 85 11.275 32.265 13.378 1.00 0.00 H ATOM 1340 HG12 ILE A 85 11.468 32.243 10.423 1.00 0.00 H ATOM 1341 HG13 ILE A 85 10.323 31.437 11.520 1.00 0.00 H ATOM 1342 HD11 ILE A 85 9.197 33.573 11.914 1.00 0.00 H ATOM 1343 HD12 ILE A 85 10.343 34.380 10.816 1.00 0.00 H ATOM 1344 HD13 ILE A 85 9.221 33.150 10.185 1.00 0.00 H ATOM 1345 HG21 ILE A 85 12.562 34.284 13.646 1.00 0.00 H ATOM 1346 HG22 ILE A 85 12.576 34.547 11.885 1.00 0.00 H ATOM 1347 HG23 ILE A 85 11.043 34.638 12.786 1.00 0.00 H ATOM 1348 H ILE A 85 11.967 30.051 12.452 1.00 0.00 H ATOM 1349 N GLY A 86 15.025 32.294 13.821 1.00 5.60 N ATOM 1350 CA GLY A 86 15.768 32.336 15.052 1.00 5.84 C ATOM 1351 C GLY A 86 15.852 33.731 15.630 1.00 5.93 C ATOM 1352 O GLY A 86 15.272 34.711 15.141 1.00 5.98 O ATOM 1353 HA3 GLY A 86 16.779 31.974 14.863 1.00 0.00 H ATOM 1354 HA2 GLY A 86 15.280 31.685 15.778 1.00 0.00 H ATOM 1355 H GLY A 86 15.505 32.581 12.944 1.00 0.00 H ATOM 1356 N ARG A 87 16.586 33.811 16.744 1.00 5.82 N ATOM 1357 CA ARG A 87 16.611 35.050 17.553 1.00 6.13 C ATOM 1358 C ARG A 87 17.112 36.229 16.790 1.00 5.86 C ATOM 1359 O ARG A 87 16.666 37.348 17.087 1.00 6.85 O ATOM 1360 CB ARG A 87 17.402 34.844 18.830 1.00 6.10 C ATOM 1361 CG ARG A 87 16.762 33.855 19.795 1.00 6.55 C ATOM 1362 CD ARG A 87 17.483 33.775 21.154 1.00 7.05 C ATOM 1363 NE ARG A 87 18.862 33.333 21.026 1.00 7.18 N ATOM 1364 CZ ARG A 87 19.948 34.073 20.988 1.00 7.53 C ATOM 1365 NH1 ARG A 87 19.916 35.397 21.124 1.00 7.91 N ATOM 1366 NH2 ARG A 87 21.116 33.476 20.829 1.00 8.91 N ATOM 1367 HA ARG A 87 15.578 35.274 17.819 1.00 0.00 H ATOM 1368 HB2 ARG A 87 18.393 34.475 18.565 1.00 0.00 H ATOM 1369 HB3 ARG A 87 17.497 35.805 19.335 1.00 0.00 H ATOM 1370 HG2 ARG A 87 15.730 34.159 19.968 1.00 0.00 H ATOM 1371 HG3 ARG A 87 16.776 32.866 19.337 1.00 0.00 H ATOM 1372 HD2 ARG A 87 16.948 33.073 21.793 1.00 0.00 H ATOM 1373 HD3 ARG A 87 17.473 34.763 21.614 1.00 0.00 H ATOM 1374 HE ARG A 87 19.007 32.306 20.956 1.00 0.00 H ATOM 1375 HH12 ARG A 87 20.799 35.945 21.088 1.00 0.00 H ATOM 1376 HH11 ARG A 87 19.008 35.883 21.267 1.00 0.00 H ATOM 1377 HH22 ARG A 87 21.989 34.041 20.796 1.00 0.00 H ATOM 1378 HH21 ARG A 87 21.163 32.441 20.737 1.00 0.00 H ATOM 1379 H ARG A 87 17.148 32.990 17.047 1.00 0.00 H ATOM 1380 N ASN A 88 18.015 36.036 15.843 1.00 5.79 N ATOM 1381 CA ASN A 88 18.537 37.177 15.098 1.00 6.67 C ATOM 1382 C ASN A 88 17.483 37.976 14.389 1.00 6.52 C ATOM 1383 O ASN A 88 17.645 39.188 14.186 1.00 7.79 O ATOM 1384 CB ASN A 88 19.655 36.741 14.124 1.00 7.31 C ATOM 1385 CG ASN A 88 19.096 36.021 12.908 1.00 7.66 C ATOM 1386 OD1 ASN A 88 18.379 35.054 13.036 1.00 8.32 O ATOM 1387 ND2 ASN A 88 19.459 36.499 11.753 1.00 9.06 N ATOM 1388 HA ASN A 88 18.962 37.848 15.845 1.00 0.00 H ATOM 1389 HB2 ASN A 88 20.198 37.626 13.792 1.00 0.00 H ATOM 1390 HB3 ASN A 88 20.338 36.072 14.647 1.00 0.00 H ATOM 1391 HD22 ASN A 88 20.077 37.334 11.707 1.00 0.00 H ATOM 1392 HD21 ASN A 88 19.131 36.046 10.876 1.00 0.00 H ATOM 1393 H ASN A 88 18.352 35.075 15.630 1.00 0.00 H ATOM 1394 N LEU A 89 16.373 37.340 13.993 1.00 6.40 N ATOM 1395 CA LEU A 89 15.256 38.041 13.407 1.00 6.83 C ATOM 1396 C LEU A 89 14.084 38.219 14.342 1.00 6.88 C ATOM 1397 O LEU A 89 13.363 39.212 14.224 1.00 7.31 O ATOM 1398 CB LEU A 89 14.786 37.334 12.112 1.00 7.57 C ATOM 1399 CG LEU A 89 15.835 37.349 10.984 1.00 9.64 C ATOM 1400 CD1 LEU A 89 15.255 36.515 9.818 1.00 12.13 C ATOM 1401 CD2 LEU A 89 16.242 38.743 10.594 1.00 18.08 C ATOM 1402 HA LEU A 89 15.627 39.040 13.178 1.00 0.00 H ATOM 1403 HB2 LEU A 89 14.552 36.297 12.351 1.00 0.00 H ATOM 1404 HB3 LEU A 89 13.887 37.835 11.753 1.00 0.00 H ATOM 1405 HG LEU A 89 16.770 36.899 11.319 1.00 0.00 H ATOM 1406 HD21 LEU A 89 15.367 39.292 10.246 1.00 0.00 H ATOM 1407 HD22 LEU A 89 16.671 39.250 11.458 1.00 0.00 H ATOM 1408 HD23 LEU A 89 16.983 38.694 9.796 1.00 0.00 H ATOM 1409 HD11 LEU A 89 15.069 35.497 10.159 1.00 0.00 H ATOM 1410 HD12 LEU A 89 14.320 36.964 9.482 1.00 0.00 H ATOM 1411 HD13 LEU A 89 15.969 36.499 8.994 1.00 0.00 H ATOM 1412 H LEU A 89 16.314 36.308 14.112 1.00 0.00 H ATOM 1413 N LEU A 90 13.890 37.328 15.320 1.00 6.40 N ATOM 1414 CA LEU A 90 12.835 37.507 16.306 1.00 6.46 C ATOM 1415 C LEU A 90 13.021 38.844 17.067 1.00 6.28 C ATOM 1416 O LEU A 90 12.045 39.501 17.372 1.00 7.31 O ATOM 1417 CB LEU A 90 12.791 36.355 17.291 1.00 7.20 C ATOM 1418 CG LEU A 90 12.346 35.006 16.695 1.00 7.79 C ATOM 1419 CD1 LEU A 90 12.582 33.854 17.698 1.00 9.75 C ATOM 1420 CD2 LEU A 90 10.924 35.015 16.213 1.00 10.72 C ATOM 1421 HA LEU A 90 11.887 37.530 15.768 1.00 0.00 H ATOM 1422 HB2 LEU A 90 13.790 36.228 17.708 1.00 0.00 H ATOM 1423 HB3 LEU A 90 12.097 36.618 18.089 1.00 0.00 H ATOM 1424 HG LEU A 90 12.968 34.838 15.816 1.00 0.00 H ATOM 1425 HD21 LEU A 90 10.260 35.243 17.047 1.00 0.00 H ATOM 1426 HD22 LEU A 90 10.809 35.773 15.438 1.00 0.00 H ATOM 1427 HD23 LEU A 90 10.674 34.036 15.805 1.00 0.00 H ATOM 1428 HD11 LEU A 90 13.643 33.797 17.941 1.00 0.00 H ATOM 1429 HD12 LEU A 90 12.010 34.042 18.606 1.00 0.00 H ATOM 1430 HD13 LEU A 90 12.259 32.913 17.252 1.00 0.00 H ATOM 1431 H LEU A 90 14.505 36.491 15.377 1.00 0.00 H ATOM 1432 N THR A 91 14.270 39.183 17.378 1.00 6.23 N ATOM 1433 CA THR A 91 14.469 40.457 18.083 1.00 6.88 C ATOM 1434 C THR A 91 13.952 41.622 17.267 1.00 6.87 C ATOM 1435 O THR A 91 13.418 42.595 17.822 1.00 7.91 O ATOM 1436 CB THR A 91 15.928 40.673 18.402 1.00 7.09 C ATOM 1437 OG1 THR A 91 16.691 40.680 17.156 1.00 7.40 O ATOM 1438 CG2 THR A 91 16.511 39.657 19.382 1.00 7.38 C ATOM 1439 HA THR A 91 13.904 40.404 19.014 1.00 0.00 H ATOM 1440 HB THR A 91 16.003 41.635 18.908 1.00 0.00 H ATOM 1441 HG1 THR A 91 17.650 40.821 17.358 1.00 0.00 H ATOM 1442 HG23 THR A 91 15.929 39.667 20.303 1.00 0.00 H ATOM 1443 HG21 THR A 91 16.473 38.662 18.938 1.00 0.00 H ATOM 1444 HG22 THR A 91 17.546 39.919 19.602 1.00 0.00 H ATOM 1445 H THR A 91 15.074 38.570 17.132 1.00 0.00 H ATOM 1446 N GLN A 92 14.142 41.574 15.961 1.00 6.53 N ATOM 1447 CA GLN A 92 13.862 42.704 15.064 1.00 6.69 C ATOM 1448 C GLN A 92 12.403 42.973 14.942 1.00 7.47 C ATOM 1449 O GLN A 92 11.993 44.108 14.673 1.00 9.34 O ATOM 1450 CB GLN A 92 14.512 42.466 13.733 1.00 7.36 C ATOM 1451 CG GLN A 92 16.024 42.313 13.713 1.00 7.29 C ATOM 1452 CD GLN A 92 16.712 43.552 14.260 1.00 7.21 C ATOM 1453 OE1 GLN A 92 16.802 44.562 13.571 1.00 7.45 O ATOM 1454 NE2 GLN A 92 17.144 43.506 15.502 1.00 7.88 N ATOM 1455 HA GLN A 92 14.293 43.607 15.498 1.00 0.00 H ATOM 1456 HB2 GLN A 92 14.085 41.553 13.318 1.00 0.00 H ATOM 1457 HB3 GLN A 92 14.259 43.309 13.090 1.00 0.00 H ATOM 1458 HG2 GLN A 92 16.302 41.454 14.323 1.00 0.00 H ATOM 1459 HG3 GLN A 92 16.351 42.149 12.686 1.00 0.00 H ATOM 1460 HE22 GLN A 92 17.049 42.629 16.053 1.00 0.00 H ATOM 1461 HE21 GLN A 92 17.580 44.346 15.932 1.00 0.00 H ATOM 1462 H GLN A 92 14.508 40.693 15.547 1.00 0.00 H ATOM 1463 N ILE A 93 11.578 41.919 15.089 1.00 7.76 N ATOM 1464 CA ILE A 93 10.134 42.082 15.017 1.00 9.08 C ATOM 1465 C ILE A 93 9.552 42.324 16.407 1.00 9.25 C ATOM 1466 O ILE A 93 8.342 42.405 16.548 1.00 12.88 O ATOM 1467 CB ILE A 93 9.452 40.921 14.291 1.00 9.40 C ATOM 1468 CG1 ILE A 93 9.525 39.615 15.080 1.00 9.97 C ATOM 1469 CG2 ILE A 93 10.057 40.791 12.901 1.00 12.22 C ATOM 1470 CD1 ILE A 93 8.756 38.488 14.410 1.00 15.55 C ATOM 1471 HA ILE A 93 9.929 42.967 14.414 1.00 0.00 H ATOM 1472 HB ILE A 93 8.388 41.138 14.198 1.00 0.00 H ATOM 1473 HG12 ILE A 93 10.570 39.319 15.172 1.00 0.00 H ATOM 1474 HG13 ILE A 93 9.107 39.782 16.073 1.00 0.00 H ATOM 1475 HD11 ILE A 93 7.707 38.769 14.320 1.00 0.00 H ATOM 1476 HD12 ILE A 93 9.171 38.306 13.419 1.00 0.00 H ATOM 1477 HD13 ILE A 93 8.841 37.584 15.012 1.00 0.00 H ATOM 1478 HG21 ILE A 93 9.899 41.717 12.349 1.00 0.00 H ATOM 1479 HG22 ILE A 93 11.126 40.597 12.988 1.00 0.00 H ATOM 1480 HG23 ILE A 93 9.578 39.966 12.374 1.00 0.00 H ATOM 1481 H ILE A 93 11.979 40.974 15.257 1.00 0.00 H ATOM 1482 N GLY A 94 10.383 42.425 17.412 1.00 9.91 N ATOM 1483 CA GLY A 94 9.912 42.726 18.775 1.00 11.49 C ATOM 1484 C GLY A 94 9.385 41.584 19.534 1.00 10.03 C ATOM 1485 O GLY A 94 8.561 41.791 20.426 1.00 12.67 O ATOM 1486 HA3 GLY A 94 9.121 43.472 18.699 1.00 0.00 H ATOM 1487 HA2 GLY A 94 10.750 43.143 19.335 1.00 0.00 H ATOM 1488 H GLY A 94 11.401 42.290 17.245 1.00 0.00 H ATOM 1489 N ALA A 95 9.781 40.366 19.203 1.00 9.10 N ATOM 1490 CA ALA A 95 9.194 39.193 19.856 1.00 9.14 C ATOM 1491 C ALA A 95 9.770 38.997 21.233 1.00 8.80 C ATOM 1492 O ALA A 95 10.955 39.050 21.425 1.00 11.44 O ATOM 1493 CB ALA A 95 9.391 37.962 18.987 1.00 10.87 C ATOM 1494 HA ALA A 95 8.123 39.357 19.977 1.00 0.00 H ATOM 1495 HB1 ALA A 95 8.906 38.118 18.024 1.00 0.00 H ATOM 1496 HB2 ALA A 95 10.457 37.793 18.835 1.00 0.00 H ATOM 1497 HB3 ALA A 95 8.951 37.096 19.481 1.00 0.00 H ATOM 1498 H ALA A 95 10.513 40.240 18.475 1.00 0.00 H ATOM 1499 N THR A 96 8.893 38.699 22.195 1.00 9.00 N ATOM 1500 CA THR A 96 9.296 38.370 23.577 1.00 8.98 C ATOM 1501 C THR A 96 8.527 37.147 24.014 1.00 8.14 C ATOM 1502 O THR A 96 7.427 36.855 23.524 1.00 9.70 O ATOM 1503 CB THR A 96 9.031 39.550 24.543 1.00 12.07 C ATOM 1504 OG1 THR A 96 7.612 39.853 24.549 1.00 13.76 O ATOM 1505 CG2 THR A 96 9.746 40.809 24.134 1.00 14.92 C ATOM 1506 HA THR A 96 10.368 38.173 23.602 1.00 0.00 H ATOM 1507 HB THR A 96 9.395 39.239 25.522 1.00 0.00 H ATOM 1508 HG1 THR A 96 7.325 40.101 23.635 1.00 0.00 H ATOM 1509 HG23 THR A 96 10.820 40.626 24.116 1.00 0.00 H ATOM 1510 HG21 THR A 96 9.411 41.109 23.141 1.00 0.00 H ATOM 1511 HG22 THR A 96 9.523 41.601 24.849 1.00 0.00 H ATOM 1512 H THR A 96 7.880 38.699 21.960 1.00 0.00 H ATOM 1513 N LEU A 97 9.104 36.434 24.986 1.00 8.38 N ATOM 1514 CA LEU A 97 8.428 35.374 25.715 1.00 9.15 C ATOM 1515 C LEU A 97 7.884 35.952 27.012 1.00 9.43 C ATOM 1516 O LEU A 97 8.577 36.643 27.737 1.00 15.68 O ATOM 1517 CB LEU A 97 9.376 34.187 25.818 1.00 9.41 C ATOM 1518 CG LEU A 97 8.807 32.828 26.143 1.00 10.61 C ATOM 1519 CD1 LEU A 97 7.774 32.307 25.128 1.00 11.73 C ATOM 1520 CD2 LEU A 97 9.943 31.792 26.285 1.00 17.69 C ATOM 1521 HA LEU A 97 7.548 34.976 25.210 1.00 0.00 H ATOM 1522 HB2 LEU A 97 9.886 34.100 24.859 1.00 0.00 H ATOM 1523 HB3 LEU A 97 10.103 34.424 26.594 1.00 0.00 H ATOM 1524 HG LEU A 97 8.275 32.959 27.085 1.00 0.00 H ATOM 1525 HD21 LEU A 97 10.497 31.732 25.348 1.00 0.00 H ATOM 1526 HD22 LEU A 97 10.614 32.099 27.087 1.00 0.00 H ATOM 1527 HD23 LEU A 97 9.516 30.817 26.519 1.00 0.00 H ATOM 1528 HD11 LEU A 97 6.933 32.999 25.079 1.00 0.00 H ATOM 1529 HD12 LEU A 97 8.239 32.229 24.145 1.00 0.00 H ATOM 1530 HD13 LEU A 97 7.420 31.325 25.443 1.00 0.00 H ATOM 1531 H LEU A 97 10.091 36.649 25.234 1.00 0.00 H ATOM 1532 N ASN A 98 6.630 35.673 27.308 1.00 9.78 N ATOM 1533 CA ASN A 98 5.988 36.249 28.456 1.00 10.73 C ATOM 1534 C ASN A 98 5.336 35.172 29.278 1.00 11.31 C ATOM 1535 O ASN A 98 4.616 34.322 28.724 1.00 11.60 O ATOM 1536 CB ASN A 98 4.899 37.225 27.962 1.00 12.25 C ATOM 1537 CG ASN A 98 5.583 38.464 27.345 1.00 13.76 C ATOM 1538 OD1 ASN A 98 5.799 39.394 28.093 1.00 23.26 O ATOM 1539 ND2 ASN A 98 6.008 38.344 26.161 1.00 16.59 N ATOM 1540 HA ASN A 98 6.727 36.767 29.068 1.00 0.00 H ATOM 1541 HB2 ASN A 98 4.281 36.735 27.210 1.00 0.00 H ATOM 1542 HB3 ASN A 98 4.274 37.531 28.801 1.00 0.00 H ATOM 1543 HD22 ASN A 98 5.762 37.501 25.603 1.00 0.00 H ATOM 1544 HD21 ASN A 98 6.603 39.088 25.744 1.00 0.00 H ATOM 1545 H ASN A 98 6.095 35.023 26.698 1.00 0.00 H ATOM 1546 N PHE A 99 5.563 35.151 30.596 1.00 13.28 N ATOM 1547 CA PHE A 99 4.839 34.256 31.491 1.00 15.74 C ATOM 1548 C PHE A 99 4.778 34.898 32.884 1.00 22.29 C ATOM 1549 O PHE A 99 4.195 34.263 33.803 1.00 28.17 O ATOM 1550 CB PHE A 99 5.443 32.867 31.482 1.00 15.09 C ATOM 1551 CG PHE A 99 6.878 32.782 31.868 1.00 17.76 C ATOM 1552 CD1 PHE A 99 7.836 33.103 30.931 1.00 24.05 C ATOM 1553 CD2 PHE A 99 7.261 32.420 33.168 1.00 20.99 C ATOM 1554 CE1 PHE A 99 9.176 33.092 31.326 1.00 29.46 C ATOM 1555 CE2 PHE A 99 8.568 32.387 33.570 1.00 27.59 C ATOM 1556 CZ PHE A 99 9.537 32.728 32.607 1.00 32.32 C ATOM 1557 HA PHE A 99 3.814 34.118 31.146 1.00 0.00 H ATOM 1558 OXT PHE A 99 5.228 36.042 33.083 1.00 24.37 O ATOM 1559 HB2 PHE A 99 4.873 32.250 32.176 1.00 0.00 H ATOM 1560 HB3 PHE A 99 5.343 32.465 30.474 1.00 0.00 H ATOM 1561 HD2 PHE A 99 6.486 32.154 33.887 1.00 0.00 H ATOM 1562 HE2 PHE A 99 8.846 32.110 34.587 1.00 0.00 H ATOM 1563 HZ PHE A 99 10.592 32.704 32.879 1.00 0.00 H ATOM 1564 HE1 PHE A 99 9.948 33.375 30.611 1.00 0.00 H ATOM 1565 HD1 PHE A 99 7.556 33.359 29.909 1.00 0.00 H ATOM 1566 H PHE A 99 6.278 35.793 30.995 1.00 0.00 H TER 1567 PHE A 99 ATOM 1568 N PRO B 1 7.402 37.071 33.862 1.00 30.98 N ATOM 1569 CA PRO B 1 8.337 38.056 33.286 1.00 27.07 C ATOM 1570 C PRO B 1 8.198 38.203 31.790 1.00 18.32 C ATOM 1571 O PRO B 1 7.437 37.473 31.183 1.00 20.79 O ATOM 1572 CB PRO B 1 9.702 37.429 33.625 1.00 38.44 C ATOM 1573 CG PRO B 1 9.423 35.951 33.581 1.00 43.27 C ATOM 1574 CD PRO B 1 8.126 35.871 34.372 1.00 44.81 C ATOM 1575 HA PRO B 1 8.172 39.060 33.677 1.00 0.00 H ATOM 1576 HD3 PRO B 1 7.581 34.953 34.154 1.00 0.00 H ATOM 1577 HD2 PRO B 1 8.307 35.939 35.445 1.00 0.00 H ATOM 1578 HG3 PRO B 1 10.219 35.380 34.059 1.00 0.00 H ATOM 1579 HG2 PRO B 1 9.290 35.600 32.558 1.00 0.00 H ATOM 1580 HB2 PRO B 1 10.454 37.707 32.887 1.00 0.00 H ATOM 1581 HB3 PRO B 1 10.037 37.734 34.616 1.00 0.00 H ATOM 1582 N GLN B 2 8.891 39.147 31.246 1.00 17.77 N ATOM 1583 CA GLN B 2 8.984 39.350 29.790 1.00 16.79 C ATOM 1584 C GLN B 2 10.438 39.133 29.431 1.00 19.23 C ATOM 1585 O GLN B 2 11.321 39.842 29.930 1.00 29.49 O ATOM 1586 CB GLN B 2 8.581 40.799 29.419 1.00 19.35 C ATOM 1587 CG GLN B 2 8.899 40.961 27.953 1.00 25.64 C ATOM 1588 CD GLN B 2 8.173 42.156 27.388 1.00 35.66 C ATOM 1589 OE1 GLN B 2 8.719 43.253 27.527 1.00 61.13 O ATOM 1590 NE2 GLN B 2 7.019 41.935 26.785 1.00 53.38 N ATOM 1591 HA GLN B 2 8.320 38.669 29.257 1.00 0.00 H ATOM 1592 HB2 GLN B 2 7.516 40.952 29.594 1.00 0.00 H ATOM 1593 HB3 GLN B 2 9.152 41.514 30.011 1.00 0.00 H ATOM 1594 HG2 GLN B 2 9.973 41.102 27.831 1.00 0.00 H ATOM 1595 HG3 GLN B 2 8.588 40.065 27.416 1.00 0.00 H ATOM 1596 HE22 GLN B 2 6.643 40.968 26.720 1.00 0.00 H ATOM 1597 HE21 GLN B 2 6.486 42.728 26.375 1.00 0.00 H ATOM 1598 H GLN B 2 9.411 39.798 31.868 1.00 0.00 H ATOM 1599 N ILE B 3 10.688 38.140 28.630 1.00 13.48 N ATOM 1600 CA ILE B 3 12.065 37.794 28.238 1.00 12.37 C ATOM 1601 C ILE B 3 12.306 38.169 26.807 1.00 10.93 C ATOM 1602 O ILE B 3 11.609 37.712 25.880 1.00 10.95 O ATOM 1603 CB ILE B 3 12.283 36.272 28.450 1.00 15.08 C ATOM 1604 CG1 ILE B 3 11.961 35.878 29.898 1.00 20.86 C ATOM 1605 CG2 ILE B 3 13.667 35.889 27.997 1.00 17.33 C ATOM 1606 CD1 ILE B 3 12.206 34.464 30.321 1.00 31.70 C ATOM 1607 HA ILE B 3 12.773 38.348 28.855 1.00 0.00 H ATOM 1608 HB ILE B 3 11.590 35.700 27.833 1.00 0.00 H ATOM 1609 HG12 ILE B 3 12.559 36.517 30.547 1.00 0.00 H ATOM 1610 HG13 ILE B 3 10.903 36.085 30.061 1.00 0.00 H ATOM 1611 HD11 ILE B 3 11.605 33.793 29.708 1.00 0.00 H ATOM 1612 HD12 ILE B 3 13.262 34.226 30.194 1.00 0.00 H ATOM 1613 HD13 ILE B 3 11.929 34.346 31.369 1.00 0.00 H ATOM 1614 HG21 ILE B 3 13.781 36.127 26.939 1.00 0.00 H ATOM 1615 HG22 ILE B 3 14.404 36.444 28.577 1.00 0.00 H ATOM 1616 HG23 ILE B 3 13.814 34.820 28.148 1.00 0.00 H ATOM 1617 H ILE B 3 9.897 37.577 28.257 1.00 0.00 H ATOM 1618 N THR B 4 13.254 39.052 26.558 1.00 11.13 N ATOM 1619 CA THR B 4 13.677 39.418 25.220 1.00 10.28 C ATOM 1620 C THR B 4 14.657 38.406 24.685 1.00 9.02 C ATOM 1621 O THR B 4 15.079 37.507 25.418 1.00 11.44 O ATOM 1622 CB THR B 4 14.255 40.848 25.232 1.00 11.03 C ATOM 1623 OG1 THR B 4 15.445 40.849 26.018 1.00 12.49 O ATOM 1624 CG2 THR B 4 13.251 41.866 25.715 1.00 18.21 C ATOM 1625 HA THR B 4 12.819 39.414 24.547 1.00 0.00 H ATOM 1626 HB THR B 4 14.498 41.146 24.212 1.00 0.00 H ATOM 1627 HG1 THR B 4 16.101 40.222 25.622 1.00 0.00 H ATOM 1628 HG23 THR B 4 12.363 41.826 25.084 1.00 0.00 H ATOM 1629 HG21 THR B 4 12.976 41.643 26.746 1.00 0.00 H ATOM 1630 HG22 THR B 4 13.691 42.862 25.662 1.00 0.00 H ATOM 1631 H THR B 4 13.723 39.510 27.365 1.00 0.00 H ATOM 1632 N LEU B 5 15.004 38.558 23.437 1.00 7.87 N ATOM 1633 CA LEU B 5 15.731 37.474 22.742 1.00 7.16 C ATOM 1634 C LEU B 5 17.071 37.885 22.183 1.00 6.51 C ATOM 1635 O LEU B 5 17.677 37.223 21.339 1.00 6.88 O ATOM 1636 CB LEU B 5 14.819 36.885 21.652 1.00 7.44 C ATOM 1637 CG LEU B 5 13.550 36.245 22.223 1.00 8.08 C ATOM 1638 CD1 LEU B 5 12.606 35.926 21.079 1.00 9.44 C ATOM 1639 CD2 LEU B 5 13.876 35.004 23.035 1.00 10.60 C ATOM 1640 HA LEU B 5 15.971 36.714 23.486 1.00 0.00 H ATOM 1641 HB2 LEU B 5 14.530 37.684 20.970 1.00 0.00 H ATOM 1642 HB3 LEU B 5 15.376 36.125 21.104 1.00 0.00 H ATOM 1643 HG LEU B 5 13.066 36.946 22.903 1.00 0.00 H ATOM 1644 HD21 LEU B 5 14.376 34.275 22.397 1.00 0.00 H ATOM 1645 HD22 LEU B 5 14.531 35.275 23.863 1.00 0.00 H ATOM 1646 HD23 LEU B 5 12.954 34.574 23.426 1.00 0.00 H ATOM 1647 HD11 LEU B 5 12.352 36.846 20.552 1.00 0.00 H ATOM 1648 HD12 LEU B 5 13.092 35.234 20.391 1.00 0.00 H ATOM 1649 HD13 LEU B 5 11.699 35.470 21.475 1.00 0.00 H ATOM 1650 H LEU B 5 14.771 39.437 22.933 1.00 0.00 H ATOM 1651 N TRP B 6 17.620 39.002 22.703 1.00 7.05 N ATOM 1652 CA TRP B 6 18.926 39.441 22.310 1.00 7.16 C ATOM 1653 C TRP B 6 20.031 38.504 22.754 1.00 7.95 C ATOM 1654 O TRP B 6 21.064 38.398 22.109 1.00 11.96 O ATOM 1655 CB TRP B 6 19.200 40.874 22.889 1.00 8.29 C ATOM 1656 CG TRP B 6 18.138 41.819 22.452 1.00 7.94 C ATOM 1657 CD1 TRP B 6 17.068 42.188 23.196 1.00 8.98 C ATOM 1658 CD2 TRP B 6 18.007 42.471 21.169 1.00 7.70 C ATOM 1659 NE1 TRP B 6 16.256 43.036 22.499 1.00 9.48 N ATOM 1660 CE2 TRP B 6 16.823 43.231 21.255 1.00 8.04 C ATOM 1661 CE3 TRP B 6 18.766 42.502 20.000 1.00 7.63 C ATOM 1662 CZ2 TRP B 6 16.384 44.018 20.176 1.00 8.94 C ATOM 1663 CZ3 TRP B 6 18.320 43.296 18.935 1.00 8.37 C ATOM 1664 CH2 TRP B 6 17.152 44.026 19.065 1.00 8.68 C ATOM 1665 HA TRP B 6 18.935 39.455 21.220 1.00 0.00 H ATOM 1666 HB2 TRP B 6 19.213 40.826 23.978 1.00 0.00 H ATOM 1667 HB3 TRP B 6 20.167 41.228 22.531 1.00 0.00 H ATOM 1668 HE1 TRP B 6 15.370 43.459 22.843 1.00 0.00 H ATOM 1669 HD1 TRP B 6 16.880 41.852 24.216 1.00 0.00 H ATOM 1670 HZ2 TRP B 6 15.463 44.597 20.234 1.00 0.00 H ATOM 1671 HH2 TRP B 6 16.834 44.642 18.224 1.00 0.00 H ATOM 1672 HZ3 TRP B 6 18.891 43.338 18.008 1.00 0.00 H ATOM 1673 HE3 TRP B 6 19.685 41.922 19.916 1.00 0.00 H ATOM 1674 H TRP B 6 17.085 39.555 23.403 1.00 0.00 H ATOM 1675 N LYS B 7 19.784 37.812 23.859 1.00 8.15 N ATOM 1676 CA LYS B 7 20.634 36.730 24.385 1.00 9.26 C ATOM 1677 C LYS B 7 19.788 35.455 24.412 1.00 7.78 C ATOM 1678 O LYS B 7 18.559 35.482 24.329 1.00 7.82 O ATOM 1679 CB LYS B 7 21.160 37.062 25.779 1.00 16.56 C ATOM 1680 CG LYS B 7 21.771 38.428 25.925 1.00 23.21 C ATOM 1681 CD LYS B 7 23.053 38.599 25.121 1.00 30.30 C ATOM 1682 CE LYS B 7 23.840 39.787 25.682 1.00 36.03 C ATOM 1683 NZ LYS B 7 24.547 40.528 24.610 1.00 53.80 N ATOM 1684 HA LYS B 7 21.508 36.598 23.747 1.00 0.00 H ATOM 1685 HB2 LYS B 7 20.328 36.988 26.480 1.00 0.00 H ATOM 1686 HB3 LYS B 7 21.919 36.324 26.038 1.00 0.00 H ATOM 1687 HG2 LYS B 7 21.048 39.170 25.587 1.00 0.00 H ATOM 1688 HG3 LYS B 7 21.997 38.597 26.978 1.00 0.00 H ATOM 1689 HD2 LYS B 7 23.655 37.693 25.196 1.00 0.00 H ATOM 1690 HD3 LYS B 7 22.807 38.785 24.075 1.00 0.00 H ATOM 1691 HE2 LYS B 7 24.572 39.419 26.400 1.00 0.00 H ATOM 1692 HE3 LYS B 7 23.149 40.464 26.184 1.00 0.00 H ATOM 1693 HZ1 LYS B 7 25.213 39.889 24.130 1.00 0.00 H ATOM 1694 HZ2 LYS B 7 23.854 40.888 23.923 1.00 0.00 H ATOM 1695 HZ3 LYS B 7 25.069 41.325 25.027 1.00 0.00 H ATOM 1696 H LYS B 7 18.925 38.052 24.394 1.00 0.00 H ATOM 1697 N ARG B 8 20.433 34.299 24.557 1.00 8.40 N ATOM 1698 CA ARG B 8 19.696 33.060 24.716 1.00 7.90 C ATOM 1699 C ARG B 8 18.769 33.109 25.921 1.00 7.78 C ATOM 1700 O ARG B 8 19.222 33.605 26.992 1.00 8.41 O ATOM 1701 CB ARG B 8 20.638 31.861 24.823 1.00 7.74 C ATOM 1702 CG ARG B 8 21.474 31.516 23.615 1.00 10.86 C ATOM 1703 CD ARG B 8 22.026 30.107 23.727 1.00 10.91 C ATOM 1704 NE ARG B 8 23.038 30.020 24.745 1.00 16.09 N ATOM 1705 CZ ARG B 8 23.499 28.890 25.324 1.00 20.54 C ATOM 1706 NH1 ARG B 8 23.081 27.665 25.077 1.00 27.80 N ATOM 1707 NH2 ARG B 8 24.437 29.096 26.230 1.00 21.39 N ATOM 1708 HA ARG B 8 19.084 32.939 23.822 1.00 0.00 H ATOM 1709 HB2 ARG B 8 21.323 32.057 25.648 1.00 0.00 H ATOM 1710 HB3 ARG B 8 20.029 30.988 25.058 1.00 0.00 H ATOM 1711 HG2 ARG B 8 20.856 31.588 22.720 1.00 0.00 H ATOM 1712 HG3 ARG B 8 22.303 32.220 23.541 1.00 0.00 H ATOM 1713 HD2 ARG B 8 22.460 29.818 22.770 1.00 0.00 H ATOM 1714 HD3 ARG B 8 21.212 29.426 23.976 1.00 0.00 H ATOM 1715 HE ARG B 8 23.456 30.916 25.067 1.00 0.00 H ATOM 1716 HH12 ARG B 8 23.505 26.860 25.580 1.00 0.00 H ATOM 1717 HH11 ARG B 8 22.327 27.504 24.379 1.00 0.00 H ATOM 1718 HH22 ARG B 8 24.858 28.290 26.735 1.00 0.00 H ATOM 1719 HH21 ARG B 8 24.754 30.064 26.439 1.00 0.00 H ATOM 1720 H ARG B 8 21.473 34.285 24.556 1.00 0.00 H ATOM 1721 N PRO B 9 17.535 32.644 25.835 1.00 7.54 N ATOM 1722 CA PRO B 9 16.582 32.713 26.974 1.00 7.71 C ATOM 1723 C PRO B 9 16.788 31.581 27.962 1.00 7.49 C ATOM 1724 O PRO B 9 16.016 30.609 28.031 1.00 8.39 O ATOM 1725 CB PRO B 9 15.225 32.656 26.296 1.00 9.61 C ATOM 1726 CG PRO B 9 15.482 31.870 25.056 1.00 9.46 C ATOM 1727 CD PRO B 9 16.832 32.301 24.578 1.00 9.04 C ATOM 1728 HA PRO B 9 16.708 33.610 27.580 1.00 0.00 H ATOM 1729 HD3 PRO B 9 17.339 31.491 24.053 1.00 0.00 H ATOM 1730 HD2 PRO B 9 16.757 33.168 23.921 1.00 0.00 H ATOM 1731 HG3 PRO B 9 14.724 32.088 24.303 1.00 0.00 H ATOM 1732 HG2 PRO B 9 15.479 30.802 25.275 1.00 0.00 H ATOM 1733 HB2 PRO B 9 14.494 32.154 26.930 1.00 0.00 H ATOM 1734 HB3 PRO B 9 14.868 33.657 26.055 1.00 0.00 H ATOM 1735 N LEU B 10 17.877 31.690 28.685 1.00 8.99 N ATOM 1736 CA LEU B 10 18.274 30.697 29.665 1.00 8.63 C ATOM 1737 C LEU B 10 17.652 31.035 31.003 1.00 8.88 C ATOM 1738 O LEU B 10 17.671 32.195 31.429 1.00 12.01 O ATOM 1739 CB LEU B 10 19.786 30.651 29.812 1.00 10.64 C ATOM 1740 CG LEU B 10 20.554 30.127 28.602 1.00 14.40 C ATOM 1741 CD1 LEU B 10 22.027 30.519 28.733 1.00 21.35 C ATOM 1742 CD2 LEU B 10 20.344 28.621 28.399 1.00 19.07 C ATOM 1743 HA LEU B 10 17.929 29.720 29.326 1.00 0.00 H ATOM 1744 HB2 LEU B 10 20.134 31.664 30.017 1.00 0.00 H ATOM 1745 HB3 LEU B 10 20.021 30.009 30.661 1.00 0.00 H ATOM 1746 HG LEU B 10 20.163 30.591 27.697 1.00 0.00 H ATOM 1747 HD21 LEU B 10 20.691 28.085 29.282 1.00 0.00 H ATOM 1748 HD22 LEU B 10 19.284 28.421 28.244 1.00 0.00 H ATOM 1749 HD23 LEU B 10 20.909 28.291 27.527 1.00 0.00 H ATOM 1750 HD11 LEU B 10 22.110 31.605 28.778 1.00 0.00 H ATOM 1751 HD12 LEU B 10 22.438 30.084 29.644 1.00 0.00 H ATOM 1752 HD13 LEU B 10 22.579 30.146 27.870 1.00 0.00 H ATOM 1753 H LEU B 10 18.482 32.525 28.550 1.00 0.00 H ATOM 1754 N VAL B 11 17.128 30.019 31.677 1.00 7.88 N ATOM 1755 CA VAL B 11 16.564 30.146 33.001 1.00 8.77 C ATOM 1756 C VAL B 11 17.107 29.030 33.882 1.00 7.56 C ATOM 1757 O VAL B 11 17.569 28.015 33.402 1.00 9.01 O ATOM 1758 CB VAL B 11 15.051 30.110 33.004 1.00 10.46 C ATOM 1759 CG1 VAL B 11 14.484 31.267 32.153 1.00 13.88 C ATOM 1760 CG2 VAL B 11 14.458 28.821 32.521 1.00 11.79 C ATOM 1761 HA VAL B 11 16.856 31.122 33.389 1.00 0.00 H ATOM 1762 HB VAL B 11 14.768 30.214 34.051 1.00 0.00 H ATOM 1763 HG11 VAL B 11 14.818 32.218 32.567 1.00 0.00 H ATOM 1764 HG12 VAL B 11 14.840 31.170 31.127 1.00 0.00 H ATOM 1765 HG13 VAL B 11 13.395 31.226 32.166 1.00 0.00 H ATOM 1766 HG21 VAL B 11 14.778 28.637 31.495 1.00 0.00 H ATOM 1767 HG22 VAL B 11 14.796 28.005 33.160 1.00 0.00 H ATOM 1768 HG23 VAL B 11 13.371 28.886 32.558 1.00 0.00 H ATOM 1769 H VAL B 11 17.123 29.081 31.228 1.00 0.00 H ATOM 1770 N THR B 12 16.953 29.187 35.176 1.00 8.49 N ATOM 1771 CA THR B 12 17.247 28.143 36.127 1.00 7.81 C ATOM 1772 C THR B 12 16.014 27.265 36.295 1.00 7.48 C ATOM 1773 O THR B 12 14.878 27.767 36.457 1.00 9.34 O ATOM 1774 CB THR B 12 17.672 28.741 37.492 1.00 11.45 C ATOM 1775 OG1 THR B 12 18.810 29.593 37.256 1.00 18.25 O ATOM 1776 CG2 THR B 12 18.083 27.628 38.425 1.00 15.21 C ATOM 1777 HA THR B 12 18.078 27.544 35.754 1.00 0.00 H ATOM 1778 HB THR B 12 16.848 29.298 37.938 1.00 0.00 H ATOM 1779 HG1 THR B 12 19.106 29.991 38.113 1.00 0.00 H ATOM 1780 HG23 THR B 12 17.229 26.977 38.610 1.00 0.00 H ATOM 1781 HG21 THR B 12 18.888 27.052 37.969 1.00 0.00 H ATOM 1782 HG22 THR B 12 18.428 28.054 39.367 1.00 0.00 H ATOM 1783 H THR B 12 16.605 30.101 35.530 1.00 0.00 H ATOM 1784 N ILE B 13 16.235 25.974 36.290 1.00 7.18 N ATOM 1785 CA ILE B 13 15.203 24.987 36.580 1.00 7.23 C ATOM 1786 C ILE B 13 15.651 24.169 37.815 1.00 6.73 C ATOM 1787 O ILE B 13 16.823 24.172 38.164 1.00 8.28 O ATOM 1788 CB ILE B 13 14.953 24.061 35.368 1.00 7.71 C ATOM 1789 CG1 ILE B 13 16.114 23.166 35.060 1.00 8.32 C ATOM 1790 CG2 ILE B 13 14.561 24.923 34.156 1.00 9.03 C ATOM 1791 CD1 ILE B 13 15.850 22.019 34.084 1.00 9.85 C ATOM 1792 HA ILE B 13 14.261 25.494 36.789 1.00 0.00 H ATOM 1793 HB ILE B 13 14.135 23.386 35.619 1.00 0.00 H ATOM 1794 HG12 ILE B 13 16.907 23.784 34.639 1.00 0.00 H ATOM 1795 HG13 ILE B 13 16.455 22.730 35.999 1.00 0.00 H ATOM 1796 HD11 ILE B 13 15.072 21.371 34.488 1.00 0.00 H ATOM 1797 HD12 ILE B 13 15.524 22.426 33.127 1.00 0.00 H ATOM 1798 HD13 ILE B 13 16.766 21.445 33.943 1.00 0.00 H ATOM 1799 HG21 ILE B 13 13.654 25.482 34.387 1.00 0.00 H ATOM 1800 HG22 ILE B 13 15.370 25.618 33.929 1.00 0.00 H ATOM 1801 HG23 ILE B 13 14.383 24.278 33.296 1.00 0.00 H ATOM 1802 H ILE B 13 17.194 25.637 36.068 1.00 0.00 H ATOM 1803 N LYS B 14 14.702 23.508 38.407 1.00 7.07 N ATOM 1804 CA LYS B 14 15.005 22.598 39.523 1.00 7.44 C ATOM 1805 C LYS B 14 14.313 21.272 39.231 1.00 7.19 C ATOM 1806 O LYS B 14 13.110 21.222 38.999 1.00 7.77 O ATOM 1807 CB LYS B 14 14.563 23.159 40.855 1.00 8.06 C ATOM 1808 CG LYS B 14 14.923 22.289 42.024 1.00 9.20 C ATOM 1809 CD LYS B 14 14.781 22.971 43.372 1.00 11.96 C ATOM 1810 CE LYS B 14 13.386 23.347 43.697 1.00 15.61 C ATOM 1811 NZ LYS B 14 13.419 23.804 45.169 1.00 16.87 N ATOM 1812 HA LYS B 14 16.084 22.463 39.601 1.00 0.00 H ATOM 1813 HB2 LYS B 14 15.033 24.133 40.992 1.00 0.00 H ATOM 1814 HB3 LYS B 14 13.480 23.280 40.836 1.00 0.00 H ATOM 1815 HG2 LYS B 14 14.273 21.414 42.013 1.00 0.00 H ATOM 1816 HG3 LYS B 14 15.959 21.972 41.908 1.00 0.00 H ATOM 1817 HD2 LYS B 14 15.145 22.292 44.143 1.00 0.00 H ATOM 1818 HD3 LYS B 14 15.391 23.874 43.368 1.00 0.00 H ATOM 1819 HE2 LYS B 14 12.722 22.491 43.578 1.00 0.00 H ATOM 1820 HE3 LYS B 14 13.049 24.159 43.052 1.00 0.00 H ATOM 1821 HZ1 LYS B 14 13.752 23.021 45.767 1.00 0.00 H ATOM 1822 HZ2 LYS B 14 14.065 24.614 45.265 1.00 0.00 H ATOM 1823 HZ3 LYS B 14 12.462 24.085 45.465 1.00 0.00 H ATOM 1824 H LYS B 14 13.719 23.623 38.089 1.00 0.00 H ATOM 1825 N ILE B 15 15.087 20.202 39.262 1.00 7.78 N ATOM 1826 CA ILE B 15 14.594 18.856 39.014 1.00 9.51 C ATOM 1827 C ILE B 15 15.364 17.945 39.932 1.00 12.91 C ATOM 1828 O ILE B 15 16.597 18.081 40.039 1.00 14.24 O ATOM 1829 CB ILE B 15 14.693 18.608 37.486 1.00 11.50 C ATOM 1830 CG1 ILE B 15 14.094 17.265 37.040 1.00 10.51 C ATOM 1831 CG2 ILE B 15 16.103 18.760 36.921 1.00 12.06 C ATOM 1832 CD1 ILE B 15 14.055 17.065 35.530 1.00 13.86 C ATOM 1833 HA ILE B 15 13.546 18.672 39.249 1.00 0.00 H ATOM 1834 HB ILE B 15 14.082 19.406 37.064 1.00 0.00 H ATOM 1835 HG12 ILE B 15 14.691 16.464 37.475 1.00 0.00 H ATOM 1836 HG13 ILE B 15 13.074 17.203 37.419 1.00 0.00 H ATOM 1837 HD11 ILE B 15 13.450 17.850 35.076 1.00 0.00 H ATOM 1838 HD12 ILE B 15 15.069 17.110 35.133 1.00 0.00 H ATOM 1839 HD13 ILE B 15 13.618 16.092 35.305 1.00 0.00 H ATOM 1840 HG21 ILE B 15 16.460 19.773 37.106 1.00 0.00 H ATOM 1841 HG22 ILE B 15 16.767 18.045 37.407 1.00 0.00 H ATOM 1842 HG23 ILE B 15 16.085 18.570 35.848 1.00 0.00 H ATOM 1843 H ILE B 15 16.097 20.328 39.474 1.00 0.00 H ATOM 1844 N GLY B 16 14.662 17.090 40.627 1.00 19.46 N ATOM 1845 CA GLY B 16 15.393 16.176 41.563 1.00 21.95 C ATOM 1846 C GLY B 16 16.131 16.958 42.649 1.00 19.98 C ATOM 1847 O GLY B 16 17.134 16.451 43.162 1.00 24.53 O ATOM 1848 HA3 GLY B 16 16.116 15.591 40.994 1.00 0.00 H ATOM 1849 HA2 GLY B 16 14.676 15.505 42.035 1.00 0.00 H ATOM 1850 H GLY B 16 13.627 17.045 40.534 1.00 0.00 H ATOM 1851 N GLY B 17 15.672 18.144 43.069 1.00 18.27 N ATOM 1852 CA GLY B 17 16.268 18.947 44.095 1.00 17.00 C ATOM 1853 C GLY B 17 17.536 19.665 43.656 1.00 14.42 C ATOM 1854 O GLY B 17 18.200 20.342 44.469 1.00 17.53 O ATOM 1855 HA3 GLY B 17 16.513 18.301 44.938 1.00 0.00 H ATOM 1856 HA2 GLY B 17 15.541 19.695 44.411 1.00 0.00 H ATOM 1857 H GLY B 17 14.813 18.512 42.613 1.00 0.00 H ATOM 1858 N GLN B 18 17.877 19.574 42.363 1.00 12.07 N ATOM 1859 CA GLN B 18 19.080 20.151 41.830 1.00 12.87 C ATOM 1860 C GLN B 18 18.756 21.274 40.859 1.00 10.03 C ATOM 1861 O GLN B 18 17.822 21.149 40.025 1.00 10.25 O ATOM 1862 CB GLN B 18 19.904 19.132 41.040 1.00 19.13 C ATOM 1863 CG GLN B 18 20.481 18.064 41.942 1.00 35.61 C ATOM 1864 CD GLN B 18 21.055 16.905 41.136 1.00 49.76 C ATOM 1865 OE1 GLN B 18 20.932 16.827 39.907 1.00 69.44 O ATOM 1866 NE2 GLN B 18 21.684 15.959 41.826 1.00 67.57 N ATOM 1867 HA GLN B 18 19.642 20.512 42.691 1.00 0.00 H ATOM 1868 HB2 GLN B 18 19.263 18.659 40.296 1.00 0.00 H ATOM 1869 HB3 GLN B 18 20.721 19.650 40.537 1.00 0.00 H ATOM 1870 HG2 GLN B 18 21.274 18.502 42.548 1.00 0.00 H ATOM 1871 HG3 GLN B 18 19.693 17.687 42.594 1.00 0.00 H ATOM 1872 HE22 GLN B 18 21.777 16.043 42.858 1.00 0.00 H ATOM 1873 HE21 GLN B 18 22.083 15.135 41.333 1.00 0.00 H ATOM 1874 H GLN B 18 17.242 19.063 41.717 1.00 0.00 H ATOM 1875 N LEU B 19 19.512 22.326 40.927 1.00 8.96 N ATOM 1876 CA LEU B 19 19.407 23.425 39.997 1.00 8.68 C ATOM 1877 C LEU B 19 20.201 23.127 38.745 1.00 9.30 C ATOM 1878 O LEU B 19 21.319 22.641 38.791 1.00 12.27 O ATOM 1879 CB LEU B 19 19.907 24.733 40.597 1.00 9.37 C ATOM 1880 CG LEU B 19 19.179 25.174 41.861 1.00 9.74 C ATOM 1881 CD1 LEU B 19 19.725 26.542 42.327 1.00 12.53 C ATOM 1882 CD2 LEU B 19 17.693 25.250 41.698 1.00 11.14 C ATOM 1883 HA LEU B 19 18.350 23.539 39.757 1.00 0.00 H ATOM 1884 HB2 LEU B 19 20.964 24.614 40.837 1.00 0.00 H ATOM 1885 HB3 LEU B 19 19.792 25.516 39.848 1.00 0.00 H ATOM 1886 HG LEU B 19 19.370 24.409 42.614 1.00 0.00 H ATOM 1887 HD21 LEU B 19 17.451 25.967 40.914 1.00 0.00 H ATOM 1888 HD22 LEU B 19 17.308 24.268 41.425 1.00 0.00 H ATOM 1889 HD23 LEU B 19 17.242 25.570 42.637 1.00 0.00 H ATOM 1890 HD11 LEU B 19 20.791 26.454 42.536 1.00 0.00 H ATOM 1891 HD12 LEU B 19 19.567 27.281 41.542 1.00 0.00 H ATOM 1892 HD13 LEU B 19 19.201 26.852 43.231 1.00 0.00 H ATOM 1893 H LEU B 19 20.224 22.380 41.683 1.00 0.00 H ATOM 1894 N LYS B 20 19.600 23.477 37.586 1.00 8.23 N ATOM 1895 CA LYS B 20 20.232 23.348 36.278 1.00 8.47 C ATOM 1896 C LYS B 20 19.865 24.549 35.464 1.00 8.11 C ATOM 1897 O LYS B 20 18.885 25.237 35.777 1.00 10.05 O ATOM 1898 CB LYS B 20 19.746 22.069 35.569 1.00 9.85 C ATOM 1899 CG LYS B 20 20.023 20.776 36.313 1.00 13.91 C ATOM 1900 CD LYS B 20 19.399 19.575 35.570 1.00 19.82 C ATOM 1901 CE LYS B 20 19.558 18.272 36.317 1.00 30.04 C ATOM 1902 NZ LYS B 20 20.945 17.862 36.003 1.00 37.82 N ATOM 1903 HA LYS B 20 21.314 23.282 36.395 1.00 0.00 H ATOM 1904 HB2 LYS B 20 18.669 22.151 35.424 1.00 0.00 H ATOM 1905 HB3 LYS B 20 20.239 22.013 34.598 1.00 0.00 H ATOM 1906 HG2 LYS B 20 21.101 20.630 36.389 1.00 0.00 H ATOM 1907 HG3 LYS B 20 19.595 20.840 37.314 1.00 0.00 H ATOM 1908 HD2 LYS B 20 18.335 19.768 35.429 1.00 0.00 H ATOM 1909 HD3 LYS B 20 19.881 19.479 34.597 1.00 0.00 H ATOM 1910 HE2 LYS B 20 18.842 17.530 35.963 1.00 0.00 H ATOM 1911 HE3 LYS B 20 19.428 18.419 37.389 1.00 0.00 H ATOM 1912 HZ1 LYS B 20 21.046 17.744 34.975 1.00 0.00 H ATOM 1913 HZ2 LYS B 20 21.605 18.593 36.336 1.00 0.00 H ATOM 1914 HZ3 LYS B 20 21.155 16.961 36.478 1.00 0.00 H ATOM 1915 H LYS B 20 18.634 23.859 37.629 1.00 0.00 H ATOM 1916 N GLU B 21 20.581 24.839 34.384 1.00 9.04 N ATOM 1917 CA GLU B 21 20.205 25.879 33.454 1.00 9.25 C ATOM 1918 C GLU B 21 19.539 25.263 32.228 1.00 8.14 C ATOM 1919 O GLU B 21 19.978 24.169 31.777 1.00 9.49 O ATOM 1920 CB GLU B 21 21.421 26.694 33.042 1.00 13.01 C ATOM 1921 CG GLU B 21 21.107 28.156 32.750 1.00 15.30 C ATOM 1922 CD GLU B 21 22.064 28.993 33.615 1.00 20.64 C ATOM 1923 OE1 GLU B 21 23.242 28.629 33.785 1.00 33.58 O ATOM 1924 OE2 GLU B 21 21.605 30.016 34.138 1.00 31.87 O ATOM 1925 HA GLU B 21 19.497 26.547 33.944 1.00 0.00 H ATOM 1926 HB2 GLU B 21 22.153 26.653 33.849 1.00 0.00 H ATOM 1927 HB3 GLU B 21 21.847 26.247 32.144 1.00 0.00 H ATOM 1928 HG2 GLU B 21 21.268 28.372 31.694 1.00 0.00 H ATOM 1929 HG3 GLU B 21 20.072 28.378 33.011 1.00 0.00 H ATOM 1930 H GLU B 21 21.448 24.295 34.200 1.00 0.00 H ATOM 1931 N ALA B 22 18.528 25.884 31.691 1.00 7.67 N ATOM 1932 CA ALA B 22 17.849 25.364 30.506 1.00 6.95 C ATOM 1933 C ALA B 22 17.355 26.504 29.650 1.00 6.81 C ATOM 1934 O ALA B 22 17.141 27.624 30.091 1.00 8.61 O ATOM 1935 CB ALA B 22 16.673 24.489 30.882 1.00 7.57 C ATOM 1936 HA ALA B 22 18.570 24.763 29.952 1.00 0.00 H ATOM 1937 HB1 ALA B 22 17.024 23.646 31.477 1.00 0.00 H ATOM 1938 HB2 ALA B 22 15.958 25.073 31.462 1.00 0.00 H ATOM 1939 HB3 ALA B 22 16.192 24.120 29.976 1.00 0.00 H ATOM 1940 H ALA B 22 18.195 26.773 32.116 1.00 0.00 H ATOM 1941 N LEU B 23 17.189 26.206 28.368 1.00 6.57 N ATOM 1942 CA LEU B 23 16.776 27.100 27.328 1.00 6.93 C ATOM 1943 C LEU B 23 15.293 27.052 27.108 1.00 7.00 C ATOM 1944 O LEU B 23 14.781 25.987 26.744 1.00 8.46 O ATOM 1945 CB LEU B 23 17.554 26.698 26.066 1.00 8.78 C ATOM 1946 CG LEU B 23 17.478 27.540 24.840 1.00 10.03 C ATOM 1947 CD1 LEU B 23 18.122 28.892 25.059 1.00 13.23 C ATOM 1948 CD2 LEU B 23 18.227 26.842 23.695 1.00 12.45 C ATOM 1949 HA LEU B 23 16.994 28.133 27.600 1.00 0.00 H ATOM 1950 HB2 LEU B 23 18.606 26.648 26.348 1.00 0.00 H ATOM 1951 HB3 LEU B 23 17.206 25.704 25.786 1.00 0.00 H ATOM 1952 HG LEU B 23 16.424 27.678 24.597 1.00 0.00 H ATOM 1953 HD21 LEU B 23 19.270 26.702 23.977 1.00 0.00 H ATOM 1954 HD22 LEU B 23 17.769 25.872 23.501 1.00 0.00 H ATOM 1955 HD23 LEU B 23 18.172 27.458 22.797 1.00 0.00 H ATOM 1956 HD11 LEU B 23 17.608 29.411 25.868 1.00 0.00 H ATOM 1957 HD12 LEU B 23 19.171 28.755 25.321 1.00 0.00 H ATOM 1958 HD13 LEU B 23 18.049 29.480 24.144 1.00 0.00 H ATOM 1959 H LEU B 23 17.378 25.222 28.089 1.00 0.00 H ATOM 1960 N LEU B 24 14.599 28.180 27.231 1.00 7.49 N ATOM 1961 CA LEU B 24 13.179 28.249 26.919 1.00 8.40 C ATOM 1962 C LEU B 24 13.026 28.183 25.415 1.00 7.70 C ATOM 1963 O LEU B 24 13.523 29.065 24.670 1.00 11.08 O ATOM 1964 CB LEU B 24 12.552 29.503 27.479 1.00 9.29 C ATOM 1965 CG LEU B 24 12.626 29.670 29.014 1.00 10.64 C ATOM 1966 CD1 LEU B 24 11.919 31.015 29.344 1.00 17.16 C ATOM 1967 CD2 LEU B 24 12.039 28.495 29.734 1.00 15.58 C ATOM 1968 HA LEU B 24 12.659 27.411 27.382 1.00 0.00 H ATOM 1969 HB2 LEU B 24 13.053 30.358 27.026 1.00 0.00 H ATOM 1970 HB3 LEU B 24 11.500 29.507 27.193 1.00 0.00 H ATOM 1971 HG LEU B 24 13.659 29.702 29.361 1.00 0.00 H ATOM 1972 HD21 LEU B 24 10.992 28.384 29.453 1.00 0.00 H ATOM 1973 HD22 LEU B 24 12.587 27.593 29.462 1.00 0.00 H ATOM 1974 HD23 LEU B 24 12.113 28.656 30.810 1.00 0.00 H ATOM 1975 HD11 LEU B 24 12.436 31.830 28.837 1.00 0.00 H ATOM 1976 HD12 LEU B 24 10.884 30.973 29.005 1.00 0.00 H ATOM 1977 HD13 LEU B 24 11.943 31.182 30.421 1.00 0.00 H ATOM 1978 H LEU B 24 15.086 29.038 27.560 1.00 0.00 H ATOM 1979 N ASN B 25 12.371 27.156 24.914 1.00 7.54 N ATOM 1980 CA ASN B 25 12.456 26.809 23.494 1.00 7.17 C ATOM 1981 C ASN B 25 11.111 26.602 22.820 1.00 6.34 C ATOM 1982 O ASN B 25 10.543 25.491 22.831 1.00 6.88 O ATOM 1983 CB ASN B 25 13.292 25.532 23.439 1.00 8.05 C ATOM 1984 CG ASN B 25 13.740 25.255 22.061 1.00 8.68 C ATOM 1985 OD1 ASN B 25 13.268 25.834 21.059 1.00 9.82 O ATOM 1986 ND2 ASN B 25 14.636 24.272 21.904 1.00 13.10 N ATOM 1987 HA ASN B 25 12.902 27.637 22.943 1.00 0.00 H ATOM 1988 HB2 ASN B 25 14.165 25.648 24.082 1.00 0.00 H ATOM 1989 HB3 ASN B 25 12.690 24.695 23.794 1.00 0.00 H ATOM 1990 HD22 ASN B 25 15.030 23.789 22.737 1.00 0.00 H ATOM 1991 HD21 ASN B 25 14.938 23.991 20.949 1.00 0.00 H ATOM 1992 H ASN B 25 11.779 26.577 25.543 1.00 0.00 H ATOM 1993 N THR B 26 10.598 27.634 22.165 1.00 6.02 N ATOM 1994 CA THR B 26 9.349 27.540 21.444 1.00 6.17 C ATOM 1995 C THR B 26 9.442 26.607 20.226 1.00 5.92 C ATOM 1996 O THR B 26 8.402 26.189 19.694 1.00 7.46 O ATOM 1997 CB THR B 26 8.859 28.908 20.991 1.00 6.62 C ATOM 1998 OG1 THR B 26 9.825 29.503 20.104 1.00 6.53 O ATOM 1999 CG2 THR B 26 8.652 29.815 22.186 1.00 7.91 C ATOM 2000 HA THR B 26 8.632 27.116 22.147 1.00 0.00 H ATOM 2001 HB THR B 26 7.910 28.782 20.469 1.00 0.00 H ATOM 2002 HG1 THR B 26 9.948 28.920 19.313 1.00 0.00 H ATOM 2003 HG23 THR B 26 7.921 29.366 22.859 1.00 0.00 H ATOM 2004 HG21 THR B 26 9.599 29.945 22.710 1.00 0.00 H ATOM 2005 HG22 THR B 26 8.288 30.784 21.846 1.00 0.00 H ATOM 2006 H THR B 26 11.110 28.539 22.170 1.00 0.00 H ATOM 2007 N GLY B 27 10.632 26.337 19.759 1.00 6.49 N ATOM 2008 CA GLY B 27 10.838 25.444 18.648 1.00 7.22 C ATOM 2009 C GLY B 27 10.932 23.986 19.027 1.00 6.55 C ATOM 2010 O GLY B 27 11.228 23.162 18.150 1.00 7.11 O ATOM 2011 HA3 GLY B 27 11.765 25.727 18.150 1.00 0.00 H ATOM 2012 HA2 GLY B 27 10.005 25.563 17.956 1.00 0.00 H ATOM 2013 H GLY B 27 11.459 26.782 20.205 1.00 0.00 H ATOM 2014 N ALA B 28 10.703 23.643 20.310 1.00 6.20 N ATOM 2015 CA ALA B 28 10.753 22.277 20.786 1.00 6.07 C ATOM 2016 C ALA B 28 9.370 21.844 21.206 1.00 5.66 C ATOM 2017 O ALA B 28 8.711 22.493 22.011 1.00 6.57 O ATOM 2018 CB ALA B 28 11.673 22.166 21.994 1.00 6.87 C ATOM 2019 HA ALA B 28 11.129 21.645 19.981 1.00 0.00 H ATOM 2020 HB1 ALA B 28 12.678 22.481 21.714 1.00 0.00 H ATOM 2021 HB2 ALA B 28 11.300 22.806 22.793 1.00 0.00 H ATOM 2022 HB3 ALA B 28 11.697 21.132 22.337 1.00 0.00 H ATOM 2023 H ALA B 28 10.479 24.396 20.991 1.00 0.00 H ATOM 2024 N ASP B 29 8.930 20.689 20.678 1.00 6.37 N ATOM 2025 CA ASP B 29 7.654 20.126 21.168 1.00 6.90 C ATOM 2026 C ASP B 29 7.749 19.693 22.621 1.00 6.85 C ATOM 2027 O ASP B 29 6.766 19.814 23.366 1.00 7.85 O ATOM 2028 CB ASP B 29 7.302 18.905 20.297 1.00 8.03 C ATOM 2029 CG ASP B 29 7.124 19.123 18.808 1.00 8.89 C ATOM 2030 OD1 ASP B 29 6.906 20.250 18.365 1.00 9.52 O ATOM 2031 OD2 ASP B 29 7.158 18.067 18.085 1.00 11.19 O ATOM 2032 HA ASP B 29 6.884 20.895 21.102 1.00 0.00 H ATOM 2033 HB2 ASP B 29 8.100 18.174 20.425 1.00 0.00 H ATOM 2034 HB3 ASP B 29 6.368 18.492 20.679 1.00 0.00 H ATOM 2035 H ASP B 29 9.476 20.201 19.940 1.00 0.00 H ATOM 2036 N ASP B 30 8.911 19.171 22.988 1.00 6.31 N ATOM 2037 CA ASP B 30 9.129 18.467 24.249 1.00 6.90 C ATOM 2038 C ASP B 30 10.301 19.043 25.014 1.00 6.43 C ATOM 2039 O ASP B 30 11.115 19.763 24.489 1.00 11.12 O ATOM 2040 CB ASP B 30 9.481 17.010 23.914 1.00 8.41 C ATOM 2041 CG ASP B 30 8.467 16.345 22.995 1.00 10.23 C ATOM 2042 OD1 ASP B 30 7.285 16.309 23.369 1.00 15.34 O ATOM 2043 OD2 ASP B 30 8.826 15.838 21.920 1.00 14.28 O ATOM 2044 HA ASP B 30 8.228 18.558 24.856 1.00 0.00 H ATOM 2045 HB2 ASP B 30 10.455 16.992 23.426 1.00 0.00 H ATOM 2046 HB3 ASP B 30 9.531 16.443 24.843 1.00 0.00 H ATOM 2047 H ASP B 30 9.717 19.269 22.338 1.00 0.00 H ATOM 2048 N THR B 31 10.392 18.681 26.259 1.00 7.70 N ATOM 2049 CA THR B 31 11.479 19.078 27.171 1.00 6.43 C ATOM 2050 C THR B 31 12.515 17.975 27.193 1.00 6.33 C ATOM 2051 O THR B 31 12.184 16.792 27.400 1.00 7.49 O ATOM 2052 CB THR B 31 10.856 19.297 28.559 1.00 7.10 C ATOM 2053 OG1 THR B 31 9.997 20.478 28.444 1.00 7.88 O ATOM 2054 CG2 THR B 31 11.889 19.540 29.615 1.00 7.74 C ATOM 2055 HA THR B 31 11.971 19.996 26.851 1.00 0.00 H ATOM 2056 HB THR B 31 10.306 18.404 28.857 1.00 0.00 H ATOM 2057 HG1 THR B 31 9.298 20.311 27.763 1.00 0.00 H ATOM 2058 HG23 THR B 31 12.530 18.663 29.703 1.00 0.00 H ATOM 2059 HG21 THR B 31 12.491 20.406 29.340 1.00 0.00 H ATOM 2060 HG22 THR B 31 11.395 19.728 30.568 1.00 0.00 H ATOM 2061 H THR B 31 9.644 18.067 26.639 1.00 0.00 H ATOM 2062 N VAL B 32 13.756 18.343 26.964 1.00 6.38 N ATOM 2063 CA VAL B 32 14.871 17.377 26.818 1.00 7.00 C ATOM 2064 C VAL B 32 16.030 17.848 27.675 1.00 6.86 C ATOM 2065 O VAL B 32 16.492 18.984 27.520 1.00 7.84 O ATOM 2066 CB VAL B 32 15.291 17.099 25.371 1.00 8.08 C ATOM 2067 CG1 VAL B 32 14.045 16.892 24.514 1.00 9.68 C ATOM 2068 CG2 VAL B 32 16.168 18.199 24.812 1.00 14.21 C ATOM 2069 HA VAL B 32 14.515 16.407 27.167 1.00 0.00 H ATOM 2070 HB VAL B 32 15.892 16.190 25.355 1.00 0.00 H ATOM 2071 HG11 VAL B 32 13.478 16.045 24.899 1.00 0.00 H ATOM 2072 HG12 VAL B 32 13.428 17.790 24.549 1.00 0.00 H ATOM 2073 HG13 VAL B 32 14.343 16.694 23.484 1.00 0.00 H ATOM 2074 HG21 VAL B 32 15.623 19.143 24.833 1.00 0.00 H ATOM 2075 HG22 VAL B 32 17.070 18.286 25.418 1.00 0.00 H ATOM 2076 HG23 VAL B 32 16.440 17.958 23.784 1.00 0.00 H ATOM 2077 H VAL B 32 13.965 19.358 26.881 1.00 0.00 H ATOM 2078 N ILE B 33 16.469 16.985 28.578 1.00 7.20 N ATOM 2079 CA ILE B 33 17.540 17.276 29.518 1.00 8.31 C ATOM 2080 C ILE B 33 18.683 16.321 29.318 1.00 9.00 C ATOM 2081 O ILE B 33 18.514 15.159 28.927 1.00 9.84 O ATOM 2082 CB ILE B 33 16.979 17.136 30.964 1.00 10.55 C ATOM 2083 CG1 ILE B 33 15.743 18.009 31.246 1.00 9.94 C ATOM 2084 CG2 ILE B 33 17.993 17.435 32.071 1.00 10.27 C ATOM 2085 CD1 ILE B 33 15.917 19.508 31.143 1.00 10.31 C ATOM 2086 HA ILE B 33 17.908 18.289 29.355 1.00 0.00 H ATOM 2087 HB ILE B 33 16.707 16.081 30.991 1.00 0.00 H ATOM 2088 HG12 ILE B 33 14.968 17.719 30.537 1.00 0.00 H ATOM 2089 HG13 ILE B 33 15.408 17.786 32.259 1.00 0.00 H ATOM 2090 HD11 ILE B 33 16.674 19.835 31.856 1.00 0.00 H ATOM 2091 HD12 ILE B 33 16.233 19.767 30.132 1.00 0.00 H ATOM 2092 HD13 ILE B 33 14.970 19.999 31.366 1.00 0.00 H ATOM 2093 HG21 ILE B 33 18.833 16.745 31.988 1.00 0.00 H ATOM 2094 HG22 ILE B 33 18.351 18.459 31.967 1.00 0.00 H ATOM 2095 HG23 ILE B 33 17.515 17.312 33.043 1.00 0.00 H ATOM 2096 H ILE B 33 16.023 16.046 28.617 1.00 0.00 H ATOM 2097 N GLU B 34 19.882 16.823 29.514 1.00 9.79 N ATOM 2098 CA GLU B 34 21.112 16.066 29.499 1.00 12.02 C ATOM 2099 C GLU B 34 21.091 14.919 30.513 1.00 12.79 C ATOM 2100 O GLU B 34 20.356 14.974 31.481 1.00 14.44 O ATOM 2101 CB GLU B 34 22.235 17.028 29.988 1.00 12.39 C ATOM 2102 CG GLU B 34 22.071 17.859 31.226 1.00 18.63 C ATOM 2103 CD GLU B 34 22.910 18.788 32.026 1.00 17.83 C ATOM 2104 OE1 GLU B 34 22.415 19.510 32.949 1.00 9.22 O ATOM 2105 OE2 GLU B 34 24.134 18.838 31.768 1.00 29.80 O ATOM 2106 HA GLU B 34 21.259 15.667 28.495 1.00 0.00 H ATOM 2107 HB2 GLU B 34 23.121 16.412 30.146 1.00 0.00 H ATOM 2108 HB3 GLU B 34 22.420 17.726 29.171 1.00 0.00 H ATOM 2109 HG2 GLU B 34 21.211 18.480 30.976 1.00 0.00 H ATOM 2110 HG3 GLU B 34 21.777 17.116 31.967 1.00 0.00 H ATOM 2111 H GLU B 34 19.950 17.845 29.694 1.00 0.00 H ATOM 2112 N GLU B 35 21.891 13.886 30.364 1.00 16.00 N ATOM 2113 CA GLU B 35 21.907 12.723 31.252 1.00 16.65 C ATOM 2114 C GLU B 35 21.849 13.079 32.741 1.00 16.10 C ATOM 2115 O GLU B 35 22.619 13.885 33.229 1.00 18.52 O ATOM 2116 CB GLU B 35 23.117 11.841 30.962 1.00 18.65 C ATOM 2117 CG GLU B 35 23.066 11.257 29.551 1.00 25.15 C ATOM 2118 CD GLU B 35 21.812 10.437 29.307 1.00 25.24 C ATOM 2119 OE1 GLU B 35 20.978 10.310 30.217 1.00 42.91 O ATOM 2120 OE2 GLU B 35 21.580 9.849 28.228 1.00 27.45 O ATOM 2121 HA GLU B 35 20.992 12.171 31.037 1.00 0.00 H ATOM 2122 HB2 GLU B 35 24.023 12.439 31.065 1.00 0.00 H ATOM 2123 HB3 GLU B 35 23.139 11.023 31.682 1.00 0.00 H ATOM 2124 HG2 GLU B 35 23.094 12.076 28.832 1.00 0.00 H ATOM 2125 HG3 GLU B 35 23.936 10.617 29.405 1.00 0.00 H ATOM 2126 H GLU B 35 22.555 13.896 29.564 1.00 0.00 H ATOM 2127 N MET B 36 20.905 12.456 33.415 1.00 18.05 N ATOM 2128 CA MET B 36 20.711 12.555 34.841 1.00 18.27 C ATOM 2129 C MET B 36 19.859 11.354 35.260 1.00 17.82 C ATOM 2130 O MET B 36 19.322 10.679 34.369 1.00 22.27 O ATOM 2131 CB MET B 36 20.043 13.852 35.226 1.00 18.94 C ATOM 2132 CG MET B 36 18.601 13.946 34.727 1.00 22.01 C ATOM 2133 SD MET B 36 17.802 15.417 35.401 1.00 27.35 S ATOM 2134 CE MET B 36 17.868 15.234 37.182 1.00 30.71 C ATOM 2135 HA MET B 36 21.673 12.548 35.353 1.00 0.00 H ATOM 2136 HB2 MET B 36 20.042 13.934 36.313 1.00 0.00 H ATOM 2137 HB3 MET B 36 20.614 14.678 34.801 1.00 0.00 H ATOM 2138 HG2 MET B 36 18.051 13.060 35.045 1.00 0.00 H ATOM 2139 HG3 MET B 36 18.599 14.002 33.638 1.00 0.00 H ATOM 2140 HE1 MET B 36 17.338 14.327 37.473 1.00 0.00 H ATOM 2141 HE2 MET B 36 18.908 15.167 37.501 1.00 0.00 H ATOM 2142 HE3 MET B 36 17.398 16.097 37.652 1.00 0.00 H ATOM 2143 H MET B 36 20.252 11.848 32.880 1.00 0.00 H ATOM 2144 N SER B 37 19.757 11.177 36.554 1.00 21.57 N ATOM 2145 CA SER B 37 18.905 10.149 37.121 1.00 22.29 C ATOM 2146 C SER B 37 17.530 10.680 37.430 1.00 17.86 C ATOM 2147 O SER B 37 17.390 11.732 38.039 1.00 20.72 O ATOM 2148 CB SER B 37 19.629 9.612 38.378 1.00 27.74 C ATOM 2149 OG SER B 37 20.991 9.351 38.025 1.00 35.69 O ATOM 2150 HA SER B 37 18.743 9.339 36.410 1.00 0.00 H ATOM 2151 HB2 SER B 37 19.151 8.692 38.716 1.00 0.00 H ATOM 2152 HB3 SER B 37 19.589 10.355 39.174 1.00 0.00 H ATOM 2153 HG SER B 37 21.475 9.005 38.816 1.00 0.00 H ATOM 2154 H SER B 37 20.302 11.791 37.193 1.00 0.00 H ATOM 2155 N LEU B 38 16.483 9.967 37.047 1.00 14.31 N ATOM 2156 CA LEU B 38 15.129 10.257 37.356 1.00 13.92 C ATOM 2157 C LEU B 38 14.487 8.967 37.856 1.00 14.70 C ATOM 2158 O LEU B 38 14.902 7.885 37.409 1.00 15.99 O ATOM 2159 CB LEU B 38 14.356 10.799 36.151 1.00 12.32 C ATOM 2160 CG LEU B 38 14.762 12.218 35.747 1.00 12.19 C ATOM 2161 CD1 LEU B 38 14.011 12.600 34.463 1.00 12.40 C ATOM 2162 CD2 LEU B 38 14.556 13.236 36.859 1.00 15.70 C ATOM 2163 HA LEU B 38 15.097 11.038 38.116 1.00 0.00 H ATOM 2164 HB2 LEU B 38 14.531 10.136 35.303 1.00 0.00 H ATOM 2165 HB3 LEU B 38 13.294 10.801 36.396 1.00 0.00 H ATOM 2166 HG LEU B 38 15.835 12.230 35.556 1.00 0.00 H ATOM 2167 HD21 LEU B 38 13.502 13.260 37.138 1.00 0.00 H ATOM 2168 HD22 LEU B 38 15.156 12.953 37.724 1.00 0.00 H ATOM 2169 HD23 LEU B 38 14.863 14.222 36.509 1.00 0.00 H ATOM 2170 HD11 LEU B 38 14.272 11.900 33.669 1.00 0.00 H ATOM 2171 HD12 LEU B 38 12.937 12.560 34.646 1.00 0.00 H ATOM 2172 HD13 LEU B 38 14.293 13.610 34.166 1.00 0.00 H ATOM 2173 H LEU B 38 16.669 9.122 36.470 1.00 0.00 H ATOM 2174 N PRO B 39 13.493 9.123 38.703 1.00 16.26 N ATOM 2175 CA PRO B 39 12.825 7.943 39.252 1.00 19.03 C ATOM 2176 C PRO B 39 11.829 7.335 38.304 1.00 15.66 C ATOM 2177 O PRO B 39 11.321 8.008 37.415 1.00 17.01 O ATOM 2178 CB PRO B 39 12.047 8.539 40.441 1.00 24.64 C ATOM 2179 CG PRO B 39 11.791 9.956 40.078 1.00 25.94 C ATOM 2180 CD PRO B 39 12.989 10.403 39.242 1.00 20.14 C ATOM 2181 HA PRO B 39 13.537 7.152 39.487 1.00 0.00 H ATOM 2182 HD3 PRO B 39 12.683 11.076 38.441 1.00 0.00 H ATOM 2183 HD2 PRO B 39 13.740 10.895 39.860 1.00 0.00 H ATOM 2184 HG3 PRO B 39 11.707 10.568 40.976 1.00 0.00 H ATOM 2185 HG2 PRO B 39 10.872 10.038 39.497 1.00 0.00 H ATOM 2186 HB2 PRO B 39 11.107 8.007 40.587 1.00 0.00 H ATOM 2187 HB3 PRO B 39 12.641 8.480 41.353 1.00 0.00 H ATOM 2188 N GLY B 40 11.563 6.057 38.569 1.00 16.07 N ATOM 2189 CA GLY B 40 10.503 5.371 37.853 1.00 14.44 C ATOM 2190 C GLY B 40 10.943 4.728 36.553 1.00 12.09 C ATOM 2191 O GLY B 40 12.132 4.674 36.182 1.00 15.82 O ATOM 2192 HA3 GLY B 40 9.719 6.094 37.628 1.00 0.00 H ATOM 2193 HA2 GLY B 40 10.102 4.592 38.501 1.00 0.00 H ATOM 2194 H GLY B 40 12.115 5.550 39.290 1.00 0.00 H ATOM 2195 N ARG B 41 9.973 4.197 35.881 1.00 10.05 N ATOM 2196 CA ARG B 41 10.183 3.548 34.599 1.00 9.37 C ATOM 2197 C ARG B 41 10.228 4.591 33.512 1.00 8.90 C ATOM 2198 O ARG B 41 9.647 5.653 33.590 1.00 11.50 O ATOM 2199 CB ARG B 41 9.094 2.514 34.320 1.00 11.51 C ATOM 2200 CG ARG B 41 9.290 1.282 35.232 1.00 12.31 C ATOM 2201 CD ARG B 41 8.335 0.239 34.915 1.00 13.05 C ATOM 2202 NE ARG B 41 8.487 -0.301 33.598 1.00 12.27 N ATOM 2203 CZ ARG B 41 9.321 -1.292 33.232 1.00 9.39 C ATOM 2204 NH1 ARG B 41 10.125 -1.838 34.098 1.00 8.32 N ATOM 2205 NH2 ARG B 41 9.309 -1.720 31.985 1.00 11.31 N ATOM 2206 HA ARG B 41 11.135 3.017 34.623 1.00 0.00 H ATOM 2207 HB2 ARG B 41 8.117 2.956 34.515 1.00 0.00 H ATOM 2208 HB3 ARG B 41 9.149 2.204 33.277 1.00 0.00 H ATOM 2209 HG2 ARG B 41 10.299 0.894 35.094 1.00 0.00 H ATOM 2210 HG3 ARG B 41 9.156 1.583 36.271 1.00 0.00 H ATOM 2211 HD2 ARG B 41 7.331 0.653 35.003 1.00 0.00 H ATOM 2212 HD3 ARG B 41 8.457 -0.570 35.635 1.00 0.00 H ATOM 2213 HE ARG B 41 7.895 0.113 32.850 1.00 0.00 H ATOM 2214 HH12 ARG B 41 10.765 -2.603 33.803 1.00 0.00 H ATOM 2215 HH11 ARG B 41 10.127 -1.509 35.085 1.00 0.00 H ATOM 2216 HH22 ARG B 41 9.949 -2.485 31.692 1.00 0.00 H ATOM 2217 HH21 ARG B 41 8.659 -1.292 31.295 1.00 0.00 H ATOM 2218 H ARG B 41 9.010 4.236 36.272 1.00 0.00 H ATOM 2219 N TRP B 42 10.918 4.262 32.425 1.00 7.74 N ATOM 2220 CA TRP B 42 10.953 5.055 31.242 1.00 7.33 C ATOM 2221 C TRP B 42 10.500 4.263 30.033 1.00 7.06 C ATOM 2222 O TRP B 42 10.485 3.017 30.026 1.00 7.76 O ATOM 2223 CB TRP B 42 12.322 5.660 31.046 1.00 8.09 C ATOM 2224 CG TRP B 42 13.455 4.720 30.820 1.00 8.28 C ATOM 2225 CD1 TRP B 42 14.167 4.112 31.816 1.00 9.17 C ATOM 2226 CD2 TRP B 42 13.982 4.273 29.583 1.00 8.33 C ATOM 2227 NE1 TRP B 42 15.146 3.314 31.227 1.00 9.78 N ATOM 2228 CE2 TRP B 42 15.056 3.418 29.879 1.00 9.62 C ATOM 2229 CE3 TRP B 42 13.692 4.559 28.253 1.00 9.16 C ATOM 2230 CZ2 TRP B 42 15.803 2.842 28.841 1.00 10.09 C ATOM 2231 CZ3 TRP B 42 14.442 3.997 27.245 1.00 9.84 C ATOM 2232 CH2 TRP B 42 15.492 3.146 27.553 1.00 10.70 C ATOM 2233 HA TRP B 42 10.247 5.877 31.360 1.00 0.00 H ATOM 2234 HB2 TRP B 42 12.268 6.322 30.182 1.00 0.00 H ATOM 2235 HB3 TRP B 42 12.553 6.245 31.936 1.00 0.00 H ATOM 2236 HE1 TRP B 42 15.837 2.731 31.741 1.00 0.00 H ATOM 2237 HD1 TRP B 42 13.998 4.231 32.886 1.00 0.00 H ATOM 2238 HZ2 TRP B 42 16.623 2.159 29.064 1.00 0.00 H ATOM 2239 HH2 TRP B 42 16.081 2.711 26.745 1.00 0.00 H ATOM 2240 HZ3 TRP B 42 14.210 4.221 26.204 1.00 0.00 H ATOM 2241 HE3 TRP B 42 12.869 5.230 28.008 1.00 0.00 H ATOM 2242 H TRP B 42 11.463 3.376 32.439 1.00 0.00 H ATOM 2243 N LYS B 43 10.099 5.004 28.999 1.00 7.69 N ATOM 2244 CA LYS B 43 9.659 4.475 27.728 1.00 8.67 C ATOM 2245 C LYS B 43 10.529 5.055 26.623 1.00 7.89 C ATOM 2246 O LYS B 43 11.082 6.161 26.774 1.00 8.06 O ATOM 2247 CB LYS B 43 8.173 4.711 27.453 1.00 14.03 C ATOM 2248 CG LYS B 43 7.552 6.010 27.858 1.00 20.28 C ATOM 2249 CD LYS B 43 6.044 5.935 27.973 1.00 26.97 C ATOM 2250 CE LYS B 43 5.427 5.414 26.670 1.00 30.95 C ATOM 2251 NZ LYS B 43 5.601 6.361 25.524 1.00 35.35 N ATOM 2252 HA LYS B 43 9.773 3.391 27.760 1.00 0.00 H ATOM 2253 HB2 LYS B 43 8.028 4.611 26.377 1.00 0.00 H ATOM 2254 HB3 LYS B 43 7.625 3.922 27.967 1.00 0.00 H ATOM 2255 HG2 LYS B 43 7.960 6.304 28.825 1.00 0.00 H ATOM 2256 HG3 LYS B 43 7.807 6.764 27.113 1.00 0.00 H ATOM 2257 HD2 LYS B 43 5.780 5.262 28.789 1.00 0.00 H ATOM 2258 HD3 LYS B 43 5.651 6.930 28.183 1.00 0.00 H ATOM 2259 HE2 LYS B 43 4.361 5.253 26.830 1.00 0.00 H ATOM 2260 HE3 LYS B 43 5.902 4.467 26.414 1.00 0.00 H ATOM 2261 HZ1 LYS B 43 5.144 7.267 25.752 1.00 0.00 H ATOM 2262 HZ2 LYS B 43 6.615 6.516 25.355 1.00 0.00 H ATOM 2263 HZ3 LYS B 43 5.164 5.956 24.672 1.00 0.00 H ATOM 2264 H LYS B 43 10.103 6.037 29.116 1.00 0.00 H ATOM 2265 N PRO B 44 10.663 4.379 25.509 1.00 7.86 N ATOM 2266 CA PRO B 44 11.546 4.863 24.460 1.00 9.17 C ATOM 2267 C PRO B 44 10.885 5.932 23.632 1.00 8.80 C ATOM 2268 O PRO B 44 9.693 5.914 23.417 1.00 10.43 O ATOM 2269 CB PRO B 44 11.812 3.611 23.620 1.00 10.73 C ATOM 2270 CG PRO B 44 10.515 2.870 23.751 1.00 11.24 C ATOM 2271 CD PRO B 44 10.037 3.077 25.140 1.00 9.86 C ATOM 2272 HA PRO B 44 12.454 5.321 24.853 1.00 0.00 H ATOM 2273 HD3 PRO B 44 8.949 3.138 25.177 1.00 0.00 H ATOM 2274 HD2 PRO B 44 10.377 2.276 25.797 1.00 0.00 H ATOM 2275 HG3 PRO B 44 10.669 1.808 23.562 1.00 0.00 H ATOM 2276 HG2 PRO B 44 9.786 3.262 23.041 1.00 0.00 H ATOM 2277 HB2 PRO B 44 12.020 3.867 22.581 1.00 0.00 H ATOM 2278 HB3 PRO B 44 12.643 3.032 24.023 1.00 0.00 H ATOM 2279 N LYS B 45 11.723 6.866 23.128 1.00 10.07 N ATOM 2280 CA LYS B 45 11.225 7.869 22.210 1.00 10.41 C ATOM 2281 C LYS B 45 12.327 8.265 21.251 1.00 10.64 C ATOM 2282 O LYS B 45 13.480 8.357 21.662 1.00 12.19 O ATOM 2283 CB LYS B 45 10.677 9.091 22.950 1.00 12.48 C ATOM 2284 CG LYS B 45 9.860 10.061 22.069 1.00 14.84 C ATOM 2285 CD LYS B 45 9.217 11.134 22.844 1.00 17.78 C ATOM 2286 CE LYS B 45 8.533 12.067 21.846 1.00 21.35 C ATOM 2287 NZ LYS B 45 7.299 11.472 21.333 1.00 28.07 N ATOM 2288 HA LYS B 45 10.395 7.442 21.647 1.00 0.00 H ATOM 2289 HB2 LYS B 45 10.034 8.740 23.757 1.00 0.00 H ATOM 2290 HB3 LYS B 45 11.519 9.640 23.371 1.00 0.00 H ATOM 2291 HG2 LYS B 45 10.529 10.513 21.336 1.00 0.00 H ATOM 2292 HG3 LYS B 45 9.086 9.494 21.551 1.00 0.00 H ATOM 2293 HD2 LYS B 45 8.479 10.711 23.526 1.00 0.00 H ATOM 2294 HD3 LYS B 45 9.966 11.682 23.415 1.00 0.00 H ATOM 2295 HE2 LYS B 45 9.210 12.257 21.013 1.00 0.00 H ATOM 2296 HE3 LYS B 45 8.296 13.008 22.342 1.00 0.00 H ATOM 2297 HZ1 LYS B 45 7.521 10.576 20.855 1.00 0.00 H ATOM 2298 HZ2 LYS B 45 6.647 11.293 22.123 1.00 0.00 H ATOM 2299 HZ3 LYS B 45 6.855 12.126 20.658 1.00 0.00 H ATOM 2300 H LYS B 45 12.727 6.864 23.400 1.00 0.00 H ATOM 2301 N MET B 46 12.011 8.474 20.007 1.00 10.74 N ATOM 2302 CA MET B 46 12.913 9.049 19.005 1.00 12.88 C ATOM 2303 C MET B 46 12.550 10.494 18.781 1.00 12.11 C ATOM 2304 O MET B 46 11.370 10.763 18.597 1.00 13.96 O ATOM 2305 CB MET B 46 12.942 8.187 17.748 1.00 17.13 C ATOM 2306 CG MET B 46 13.699 8.799 16.595 1.00 21.07 C ATOM 2307 SD MET B 46 13.937 7.648 15.214 1.00 41.89 S ATOM 2308 CE MET B 46 15.360 6.753 15.831 1.00 58.86 C ATOM 2309 HA MET B 46 13.943 9.047 19.361 1.00 0.00 H ATOM 2310 HB2 MET B 46 13.410 7.235 17.997 1.00 0.00 H ATOM 2311 HB3 MET B 46 11.914 8.013 17.429 1.00 0.00 H ATOM 2312 HG2 MET B 46 14.677 9.120 16.953 1.00 0.00 H ATOM 2313 HG3 MET B 46 13.143 9.665 16.234 1.00 0.00 H ATOM 2314 HE1 MET B 46 16.186 7.448 15.985 1.00 0.00 H ATOM 2315 HE2 MET B 46 15.105 6.275 16.777 1.00 0.00 H ATOM 2316 HE3 MET B 46 15.653 5.994 15.106 1.00 0.00 H ATOM 2317 H MET B 46 11.051 8.215 19.702 1.00 0.00 H ATOM 2318 N ILE B 47 13.523 11.384 18.811 1.00 10.20 N ATOM 2319 CA ILE B 47 13.224 12.799 18.546 1.00 9.19 C ATOM 2320 C ILE B 47 14.180 13.293 17.455 1.00 9.31 C ATOM 2321 O ILE B 47 15.251 12.738 17.246 1.00 12.28 O ATOM 2322 CB ILE B 47 13.353 13.648 19.797 1.00 10.01 C ATOM 2323 CG1 ILE B 47 14.705 13.603 20.432 1.00 10.22 C ATOM 2324 CG2 ILE B 47 12.263 13.286 20.790 1.00 11.12 C ATOM 2325 CD1 ILE B 47 14.928 14.594 21.563 1.00 12.08 C ATOM 2326 HA ILE B 47 12.190 12.890 18.214 1.00 0.00 H ATOM 2327 HB ILE B 47 13.226 14.683 19.479 1.00 0.00 H ATOM 2328 HG12 ILE B 47 14.857 12.599 20.829 1.00 0.00 H ATOM 2329 HG13 ILE B 47 15.447 13.803 19.659 1.00 0.00 H ATOM 2330 HD11 ILE B 47 14.797 15.609 21.187 1.00 0.00 H ATOM 2331 HD12 ILE B 47 14.207 14.404 22.358 1.00 0.00 H ATOM 2332 HD13 ILE B 47 15.939 14.477 21.953 1.00 0.00 H ATOM 2333 HG21 ILE B 47 11.287 13.462 20.337 1.00 0.00 H ATOM 2334 HG22 ILE B 47 12.355 12.234 21.061 1.00 0.00 H ATOM 2335 HG23 ILE B 47 12.367 13.903 21.683 1.00 0.00 H ATOM 2336 H ILE B 47 14.497 11.086 19.021 1.00 0.00 H ATOM 2337 N GLY B 48 13.761 14.336 16.807 1.00 9.15 N ATOM 2338 CA GLY B 48 14.534 14.918 15.707 1.00 9.62 C ATOM 2339 C GLY B 48 14.882 16.367 16.010 1.00 7.99 C ATOM 2340 O GLY B 48 14.179 17.079 16.699 1.00 9.37 O ATOM 2341 HA3 GLY B 48 13.945 14.874 14.791 1.00 0.00 H ATOM 2342 HA2 GLY B 48 15.454 14.348 15.573 1.00 0.00 H ATOM 2343 H GLY B 48 12.854 14.769 17.075 1.00 0.00 H ATOM 2344 N GLY B 49 16.021 16.758 15.478 1.00 8.54 N ATOM 2345 CA GLY B 49 16.467 18.112 15.532 1.00 9.67 C ATOM 2346 C GLY B 49 17.103 18.512 14.221 1.00 10.27 C ATOM 2347 O GLY B 49 16.899 17.883 13.172 1.00 10.10 O ATOM 2348 HA3 GLY B 49 17.199 18.217 16.333 1.00 0.00 H ATOM 2349 HA2 GLY B 49 15.616 18.763 15.731 1.00 0.00 H ATOM 2350 H GLY B 49 16.618 16.053 15.000 1.00 0.00 H ATOM 2351 N ILE B 50 17.865 19.605 14.265 1.00 9.09 N ATOM 2352 CA ILE B 50 18.484 20.135 13.068 1.00 9.48 C ATOM 2353 C ILE B 50 19.333 19.126 12.360 1.00 9.09 C ATOM 2354 O ILE B 50 19.471 19.144 11.119 1.00 11.75 O ATOM 2355 CB ILE B 50 19.419 21.325 13.419 1.00 11.99 C ATOM 2356 CG1 ILE B 50 18.502 22.492 13.385 1.00 14.73 C ATOM 2357 CG2 ILE B 50 20.633 21.378 12.539 1.00 16.45 C ATOM 2358 CD1 ILE B 50 17.892 23.042 12.139 1.00 25.41 C ATOM 2359 HA ILE B 50 17.659 20.440 12.424 1.00 0.00 H ATOM 2360 HB ILE B 50 19.899 21.260 14.396 1.00 0.00 H ATOM 2361 HG12 ILE B 50 17.665 22.228 14.032 1.00 0.00 H ATOM 2362 HG13 ILE B 50 19.058 23.317 13.830 1.00 0.00 H ATOM 2363 HD11 ILE B 50 18.682 23.360 11.459 1.00 0.00 H ATOM 2364 HD12 ILE B 50 17.288 22.271 11.661 1.00 0.00 H ATOM 2365 HD13 ILE B 50 17.262 23.895 12.390 1.00 0.00 H ATOM 2366 HG21 ILE B 50 21.203 20.456 12.653 1.00 0.00 H ATOM 2367 HG22 ILE B 50 20.322 21.488 11.500 1.00 0.00 H ATOM 2368 HG23 ILE B 50 21.252 22.228 12.827 1.00 0.00 H ATOM 2369 H ILE B 50 18.018 20.085 15.175 1.00 0.00 H ATOM 2370 N GLY B 51 20.048 18.267 13.104 1.00 8.83 N ATOM 2371 CA GLY B 51 21.036 17.397 12.520 1.00 10.03 C ATOM 2372 C GLY B 51 20.622 15.997 12.256 1.00 10.13 C ATOM 2373 O GLY B 51 21.379 15.219 11.650 1.00 14.43 O ATOM 2374 HA3 GLY B 51 21.890 17.367 13.196 1.00 0.00 H ATOM 2375 HA2 GLY B 51 21.342 17.835 11.570 1.00 0.00 H ATOM 2376 H GLY B 51 19.884 18.229 14.130 1.00 0.00 H ATOM 2377 N GLY B 52 19.445 15.586 12.697 1.00 10.15 N ATOM 2378 CA GLY B 52 19.015 14.190 12.613 1.00 13.69 C ATOM 2379 C GLY B 52 18.257 13.781 13.865 1.00 10.45 C ATOM 2380 O GLY B 52 17.714 14.584 14.565 1.00 11.67 O ATOM 2381 HA3 GLY B 52 19.892 13.552 12.502 1.00 0.00 H ATOM 2382 HA2 GLY B 52 18.366 14.068 11.746 1.00 0.00 H ATOM 2383 H GLY B 52 18.799 16.283 13.120 1.00 0.00 H ATOM 2384 N PHE B 53 18.232 12.500 14.107 1.00 13.75 N ATOM 2385 CA PHE B 53 17.442 11.882 15.144 1.00 14.89 C ATOM 2386 C PHE B 53 18.309 11.301 16.241 1.00 17.27 C ATOM 2387 O PHE B 53 19.371 10.770 15.973 1.00 22.08 O ATOM 2388 CB PHE B 53 16.596 10.716 14.566 1.00 22.02 C ATOM 2389 CG PHE B 53 15.625 11.282 13.556 1.00 24.14 C ATOM 2390 CD1 PHE B 53 16.025 11.385 12.219 1.00 32.57 C ATOM 2391 CD2 PHE B 53 14.390 11.710 13.973 1.00 27.43 C ATOM 2392 CE1 PHE B 53 15.141 11.946 11.287 1.00 40.27 C ATOM 2393 CE2 PHE B 53 13.502 12.270 13.057 1.00 34.06 C ATOM 2394 CZ PHE B 53 13.907 12.409 11.735 1.00 40.61 C ATOM 2395 HA PHE B 53 16.804 12.666 15.551 1.00 0.00 H ATOM 2396 HB2 PHE B 53 17.251 9.992 14.081 1.00 0.00 H ATOM 2397 HB3 PHE B 53 16.047 10.226 15.370 1.00 0.00 H ATOM 2398 HD2 PHE B 53 14.104 11.612 15.020 1.00 0.00 H ATOM 2399 HE2 PHE B 53 12.509 12.593 13.371 1.00 0.00 H ATOM 2400 HZ PHE B 53 13.237 12.896 11.026 1.00 0.00 H ATOM 2401 HE1 PHE B 53 15.414 12.018 10.234 1.00 0.00 H ATOM 2402 HD1 PHE B 53 17.009 11.034 11.907 1.00 0.00 H ATOM 2403 H PHE B 53 18.821 11.882 13.513 1.00 0.00 H ATOM 2404 N ILE B 54 17.800 11.337 17.465 1.00 15.30 N ATOM 2405 CA ILE B 54 18.391 10.674 18.568 1.00 14.92 C ATOM 2406 C ILE B 54 17.322 9.920 19.381 1.00 13.07 C ATOM 2407 O ILE B 54 16.151 10.265 19.382 1.00 12.55 O ATOM 2408 CB ILE B 54 19.153 11.648 19.501 1.00 16.13 C ATOM 2409 CG1 ILE B 54 18.263 12.619 20.234 1.00 14.41 C ATOM 2410 CG2 ILE B 54 20.290 12.362 18.710 1.00 22.78 C ATOM 2411 CD1 ILE B 54 18.921 13.458 21.323 1.00 16.95 C ATOM 2412 HA ILE B 54 19.112 9.967 18.159 1.00 0.00 H ATOM 2413 HB ILE B 54 19.601 11.047 20.292 1.00 0.00 H ATOM 2414 HG12 ILE B 54 17.842 13.303 19.497 1.00 0.00 H ATOM 2415 HG13 ILE B 54 17.459 12.047 20.697 1.00 0.00 H ATOM 2416 HD11 ILE B 54 19.336 12.800 22.086 1.00 0.00 H ATOM 2417 HD12 ILE B 54 19.719 14.058 20.885 1.00 0.00 H ATOM 2418 HD13 ILE B 54 18.177 14.115 21.773 1.00 0.00 H ATOM 2419 HG21 ILE B 54 20.985 11.617 18.323 1.00 0.00 H ATOM 2420 HG22 ILE B 54 19.858 12.922 17.881 1.00 0.00 H ATOM 2421 HG23 ILE B 54 20.820 13.045 19.374 1.00 0.00 H ATOM 2422 H ILE B 54 16.926 11.878 17.622 1.00 0.00 H ATOM 2423 N LYS B 55 17.809 8.899 20.091 1.00 13.80 N ATOM 2424 CA LYS B 55 17.014 8.180 21.098 1.00 13.16 C ATOM 2425 C LYS B 55 17.135 8.833 22.474 1.00 11.79 C ATOM 2426 O LYS B 55 18.242 9.201 22.878 1.00 14.19 O ATOM 2427 CB LYS B 55 17.421 6.721 21.221 1.00 17.95 C ATOM 2428 CG LYS B 55 17.832 5.888 20.148 1.00 31.42 C ATOM 2429 CD LYS B 55 18.084 4.429 20.278 1.00 40.45 C ATOM 2430 CE LYS B 55 17.212 3.574 19.372 1.00 48.79 C ATOM 2431 NZ LYS B 55 17.396 3.935 17.932 1.00 65.37 N ATOM 2432 HA LYS B 55 15.981 8.231 20.753 1.00 0.00 H ATOM 2433 HB2 LYS B 55 18.250 6.711 21.928 1.00 0.00 H ATOM 2434 HB3 LYS B 55 16.562 6.218 21.664 1.00 0.00 H ATOM 2435 HG2 LYS B 55 17.061 5.988 19.384 1.00 0.00 H ATOM 2436 HG3 LYS B 55 18.764 6.317 19.780 1.00 0.00 H ATOM 2437 HD2 LYS B 55 19.128 4.237 20.032 1.00 0.00 H ATOM 2438 HD3 LYS B 55 17.896 4.138 21.311 1.00 0.00 H ATOM 2439 HE2 LYS B 55 16.167 3.722 19.644 1.00 0.00 H ATOM 2440 HE3 LYS B 55 17.477 2.526 19.511 1.00 0.00 H ATOM 2441 HZ1 LYS B 55 17.139 4.933 17.790 1.00 0.00 H ATOM 2442 HZ2 LYS B 55 18.390 3.790 17.664 1.00 0.00 H ATOM 2443 HZ3 LYS B 55 16.786 3.332 17.344 1.00 0.00 H ATOM 2444 H LYS B 55 18.791 8.600 19.925 1.00 0.00 H ATOM 2445 N VAL B 56 15.971 8.895 23.128 1.00 9.36 N ATOM 2446 CA VAL B 56 15.937 9.454 24.460 1.00 9.27 C ATOM 2447 C VAL B 56 15.089 8.547 25.360 1.00 8.44 C ATOM 2448 O VAL B 56 14.314 7.688 24.855 1.00 9.98 O ATOM 2449 CB VAL B 56 15.429 10.906 24.476 1.00 10.04 C ATOM 2450 CG1 VAL B 56 16.367 11.811 23.689 1.00 12.75 C ATOM 2451 CG2 VAL B 56 14.025 10.988 23.877 1.00 11.98 C ATOM 2452 HA VAL B 56 16.956 9.495 24.845 1.00 0.00 H ATOM 2453 HB VAL B 56 15.398 11.240 25.513 1.00 0.00 H ATOM 2454 HG11 VAL B 56 17.361 11.779 24.136 1.00 0.00 H ATOM 2455 HG12 VAL B 56 16.421 11.466 22.656 1.00 0.00 H ATOM 2456 HG13 VAL B 56 15.989 12.833 23.713 1.00 0.00 H ATOM 2457 HG21 VAL B 56 14.049 10.632 22.847 1.00 0.00 H ATOM 2458 HG22 VAL B 56 13.345 10.368 24.461 1.00 0.00 H ATOM 2459 HG23 VAL B 56 13.683 12.023 23.897 1.00 0.00 H ATOM 2460 H VAL B 56 15.099 8.545 22.683 1.00 0.00 H ATOM 2461 N ARG B 57 15.186 8.780 26.645 1.00 7.96 N ATOM 2462 CA ARG B 57 14.351 8.100 27.646 1.00 7.45 C ATOM 2463 C ARG B 57 13.215 9.028 28.043 1.00 7.05 C ATOM 2464 O ARG B 57 13.471 10.161 28.469 1.00 8.59 O ATOM 2465 CB ARG B 57 15.145 7.733 28.869 1.00 7.93 C ATOM 2466 CG ARG B 57 16.382 6.906 28.579 1.00 9.61 C ATOM 2467 CD ARG B 57 16.979 6.274 29.789 1.00 11.49 C ATOM 2468 NE ARG B 57 17.288 7.128 30.925 1.00 13.27 N ATOM 2469 CZ ARG B 57 18.349 7.876 31.060 1.00 17.69 C ATOM 2470 NH1 ARG B 57 19.258 7.961 30.090 1.00 24.41 N ATOM 2471 NH2 ARG B 57 18.525 8.559 32.168 1.00 25.36 N ATOM 2472 HA ARG B 57 13.964 7.180 27.209 1.00 0.00 H ATOM 2473 HB2 ARG B 57 15.456 8.653 29.364 1.00 0.00 H ATOM 2474 HB3 ARG B 57 14.500 7.162 29.537 1.00 0.00 H ATOM 2475 HG2 ARG B 57 16.112 6.117 27.877 1.00 0.00 H ATOM 2476 HG3 ARG B 57 17.131 7.555 28.125 1.00 0.00 H ATOM 2477 HD2 ARG B 57 17.909 5.797 29.480 1.00 0.00 H ATOM 2478 HD3 ARG B 57 16.279 5.513 30.136 1.00 0.00 H ATOM 2479 HE ARG B 57 16.598 7.144 31.703 1.00 0.00 H ATOM 2480 HH12 ARG B 57 20.097 8.562 30.215 1.00 0.00 H ATOM 2481 HH11 ARG B 57 19.128 7.426 29.208 1.00 0.00 H ATOM 2482 HH22 ARG B 57 19.368 9.157 32.282 1.00 0.00 H ATOM 2483 HH21 ARG B 57 17.821 8.502 32.931 1.00 0.00 H ATOM 2484 H ARG B 57 15.885 9.477 26.972 1.00 0.00 H ATOM 2485 N GLN B 58 11.992 8.566 27.964 1.00 6.37 N ATOM 2486 CA GLN B 58 10.824 9.345 28.364 1.00 6.93 C ATOM 2487 C GLN B 58 10.359 8.999 29.756 1.00 6.54 C ATOM 2488 O GLN B 58 9.963 7.839 30.000 1.00 7.51 O ATOM 2489 CB GLN B 58 9.700 9.142 27.364 1.00 7.48 C ATOM 2490 CG GLN B 58 8.445 9.897 27.748 1.00 7.91 C ATOM 2491 CD GLN B 58 7.303 9.797 26.748 1.00 11.29 C ATOM 2492 OE1 GLN B 58 7.557 9.704 25.531 1.00 16.18 O ATOM 2493 NE2 GLN B 58 6.082 9.863 27.208 1.00 15.32 N ATOM 2494 HA GLN B 58 11.115 10.395 28.375 1.00 0.00 H ATOM 2495 HB2 GLN B 58 10.033 9.490 26.386 1.00 0.00 H ATOM 2496 HB3 GLN B 58 9.467 8.079 27.310 1.00 0.00 H ATOM 2497 HG2 GLN B 58 8.094 9.506 28.703 1.00 0.00 H ATOM 2498 HG3 GLN B 58 8.705 10.950 27.861 1.00 0.00 H ATOM 2499 HE22 GLN B 58 5.915 9.940 28.232 1.00 0.00 H ATOM 2500 HE21 GLN B 58 5.277 9.839 26.551 1.00 0.00 H ATOM 2501 H GLN B 58 11.847 7.602 27.601 1.00 0.00 H ATOM 2502 N TYR B 59 10.343 9.957 30.644 1.00 6.58 N ATOM 2503 CA TYR B 59 9.847 9.856 32.011 1.00 7.17 C ATOM 2504 C TYR B 59 8.613 10.714 32.118 1.00 7.50 C ATOM 2505 O TYR B 59 8.612 11.888 31.731 1.00 9.10 O ATOM 2506 CB TYR B 59 10.892 10.315 33.011 1.00 8.36 C ATOM 2507 CG TYR B 59 12.118 9.460 33.078 1.00 8.10 C ATOM 2508 CD1 TYR B 59 13.186 9.708 32.237 1.00 8.82 C ATOM 2509 CD2 TYR B 59 12.217 8.412 34.011 1.00 9.00 C ATOM 2510 CE1 TYR B 59 14.330 8.947 32.290 1.00 9.41 C ATOM 2511 CE2 TYR B 59 13.382 7.653 34.020 1.00 10.86 C ATOM 2512 CZ TYR B 59 14.432 7.917 33.168 1.00 10.23 C ATOM 2513 OH TYR B 59 15.592 7.166 33.171 1.00 12.68 O ATOM 2514 HA TYR B 59 9.615 8.816 32.241 1.00 0.00 H ATOM 2515 HB3 TYR B 59 10.433 10.327 34.000 1.00 0.00 H ATOM 2516 HB2 TYR B 59 11.198 11.326 32.741 1.00 0.00 H ATOM 2517 HD2 TYR B 59 11.405 8.201 34.706 1.00 0.00 H ATOM 2518 HE2 TYR B 59 13.467 6.824 34.722 1.00 0.00 H ATOM 2519 HE1 TYR B 59 15.161 9.173 31.622 1.00 0.00 H ATOM 2520 HD1 TYR B 59 13.120 10.524 31.517 1.00 0.00 H ATOM 2521 HH TYR B 59 16.016 7.219 34.064 1.00 0.00 H ATOM 2522 H TYR B 59 10.720 10.880 30.347 1.00 0.00 H ATOM 2523 N ASP B 60 7.547 10.183 32.683 1.00 9.09 N ATOM 2524 CA ASP B 60 6.293 10.890 32.814 1.00 9.30 C ATOM 2525 C ASP B 60 6.086 11.462 34.216 1.00 8.66 C ATOM 2526 O ASP B 60 6.558 10.936 35.206 1.00 9.65 O ATOM 2527 CB ASP B 60 5.144 9.984 32.407 1.00 12.16 C ATOM 2528 CG ASP B 60 5.080 9.679 30.917 1.00 15.86 C ATOM 2529 OD1 ASP B 60 5.708 10.290 30.090 1.00 21.93 O ATOM 2530 OD2 ASP B 60 4.282 8.752 30.574 1.00 27.24 O ATOM 2531 HA ASP B 60 6.322 11.747 32.141 1.00 0.00 H ATOM 2532 HB2 ASP B 60 5.246 9.041 32.944 1.00 0.00 H ATOM 2533 HB3 ASP B 60 4.210 10.466 32.697 1.00 0.00 H ATOM 2534 H ASP B 60 7.611 9.212 33.051 1.00 0.00 H ATOM 2535 N GLN B 61 5.325 12.548 34.288 1.00 8.74 N ATOM 2536 CA GLN B 61 4.859 13.081 35.584 1.00 8.54 C ATOM 2537 C GLN B 61 5.982 13.426 36.502 1.00 7.75 C ATOM 2538 O GLN B 61 5.946 13.215 37.710 1.00 9.91 O ATOM 2539 CB GLN B 61 3.812 12.176 36.262 1.00 12.23 C ATOM 2540 CG GLN B 61 2.446 12.339 35.620 1.00 11.76 C ATOM 2541 CD GLN B 61 1.408 11.486 36.316 1.00 11.74 C ATOM 2542 OE1 GLN B 61 0.890 10.604 35.642 1.00 18.40 O ATOM 2543 NE2 GLN B 61 1.114 11.675 37.591 1.00 10.72 N ATOM 2544 HA GLN B 61 4.351 14.017 35.352 1.00 0.00 H ATOM 2545 HB2 GLN B 61 4.127 11.137 36.169 1.00 0.00 H ATOM 2546 HB3 GLN B 61 3.743 12.441 37.317 1.00 0.00 H ATOM 2547 HG2 GLN B 61 2.146 13.385 35.682 1.00 0.00 H ATOM 2548 HG3 GLN B 61 2.507 12.041 34.573 1.00 0.00 H ATOM 2549 HE22 GLN B 61 1.579 12.437 38.124 1.00 0.00 H ATOM 2550 HE21 GLN B 61 0.418 11.062 38.061 1.00 0.00 H ATOM 2551 H GLN B 61 5.051 13.035 33.411 1.00 0.00 H ATOM 2552 N ILE B 62 7.032 14.062 35.954 1.00 7.14 N ATOM 2553 CA ILE B 62 8.182 14.542 36.700 1.00 7.12 C ATOM 2554 C ILE B 62 7.935 15.952 37.197 1.00 6.98 C ATOM 2555 O ILE B 62 7.503 16.823 36.458 1.00 7.70 O ATOM 2556 CB ILE B 62 9.427 14.481 35.815 1.00 8.13 C ATOM 2557 CG1 ILE B 62 9.727 13.081 35.340 1.00 9.73 C ATOM 2558 CG2 ILE B 62 10.633 15.115 36.500 1.00 9.90 C ATOM 2559 CD1 ILE B 62 10.014 12.067 36.438 1.00 11.74 C ATOM 2560 HA ILE B 62 8.342 13.905 37.570 1.00 0.00 H ATOM 2561 HB ILE B 62 9.208 15.071 34.925 1.00 0.00 H ATOM 2562 HG12 ILE B 62 8.867 12.727 34.771 1.00 0.00 H ATOM 2563 HG13 ILE B 62 10.599 13.126 34.687 1.00 0.00 H ATOM 2564 HD11 ILE B 62 10.882 12.391 37.012 1.00 0.00 H ATOM 2565 HD12 ILE B 62 9.148 11.991 37.096 1.00 0.00 H ATOM 2566 HD13 ILE B 62 10.217 11.095 35.989 1.00 0.00 H ATOM 2567 HG21 ILE B 62 10.417 16.160 36.719 1.00 0.00 H ATOM 2568 HG22 ILE B 62 10.843 14.584 37.428 1.00 0.00 H ATOM 2569 HG23 ILE B 62 11.498 15.053 35.840 1.00 0.00 H ATOM 2570 H ILE B 62 7.020 14.221 34.926 1.00 0.00 H ATOM 2571 N ILE B 63 8.218 16.190 38.480 1.00 8.16 N ATOM 2572 CA ILE B 63 8.087 17.497 39.096 1.00 8.28 C ATOM 2573 C ILE B 63 9.303 18.319 38.685 1.00 8.53 C ATOM 2574 O ILE B 63 10.461 17.932 38.864 1.00 10.28 O ATOM 2575 CB ILE B 63 7.898 17.393 40.598 1.00 11.92 C ATOM 2576 CG1 ILE B 63 6.702 16.514 40.993 1.00 13.14 C ATOM 2577 CG2 ILE B 63 7.806 18.784 41.246 1.00 21.13 C ATOM 2578 CD1 ILE B 63 6.695 16.088 42.457 1.00 21.10 C ATOM 2579 HA ILE B 63 7.187 18.004 38.748 1.00 0.00 H ATOM 2580 HB ILE B 63 8.786 16.894 40.985 1.00 0.00 H ATOM 2581 HG12 ILE B 63 5.787 17.072 40.795 1.00 0.00 H ATOM 2582 HG13 ILE B 63 6.719 15.616 40.376 1.00 0.00 H ATOM 2583 HD11 ILE B 63 7.598 15.516 42.672 1.00 0.00 H ATOM 2584 HD12 ILE B 63 6.665 16.974 43.092 1.00 0.00 H ATOM 2585 HD13 ILE B 63 5.818 15.471 42.650 1.00 0.00 H ATOM 2586 HG21 ILE B 63 8.724 19.337 41.049 1.00 0.00 H ATOM 2587 HG22 ILE B 63 6.958 19.324 40.825 1.00 0.00 H ATOM 2588 HG23 ILE B 63 7.671 18.674 42.322 1.00 0.00 H ATOM 2589 H ILE B 63 8.549 15.398 39.068 1.00 0.00 H ATOM 2590 N ILE B 64 9.055 19.502 38.148 1.00 8.98 N ATOM 2591 CA ILE B 64 10.113 20.393 37.669 1.00 8.80 C ATOM 2592 C ILE B 64 9.686 21.823 37.881 1.00 10.38 C ATOM 2593 O ILE B 64 8.602 22.205 37.522 1.00 17.01 O ATOM 2594 CB ILE B 64 10.428 20.092 36.193 1.00 11.63 C ATOM 2595 CG1 ILE B 64 11.510 21.025 35.638 1.00 11.00 C ATOM 2596 CG2 ILE B 64 9.151 20.048 35.335 1.00 18.25 C ATOM 2597 CD1 ILE B 64 11.996 20.572 34.243 1.00 13.65 C ATOM 2598 HA ILE B 64 11.032 20.227 38.232 1.00 0.00 H ATOM 2599 HB ILE B 64 10.853 19.089 36.142 1.00 0.00 H ATOM 2600 HG12 ILE B 64 11.102 22.033 35.560 1.00 0.00 H ATOM 2601 HG13 ILE B 64 12.358 21.030 36.323 1.00 0.00 H ATOM 2602 HD11 ILE B 64 12.412 19.567 34.313 1.00 0.00 H ATOM 2603 HD12 ILE B 64 11.155 20.571 33.549 1.00 0.00 H ATOM 2604 HD13 ILE B 64 12.762 21.260 33.886 1.00 0.00 H ATOM 2605 HG21 ILE B 64 8.489 19.268 35.711 1.00 0.00 H ATOM 2606 HG22 ILE B 64 8.645 21.012 35.389 1.00 0.00 H ATOM 2607 HG23 ILE B 64 9.417 19.833 34.300 1.00 0.00 H ATOM 2608 H ILE B 64 8.066 19.812 38.062 1.00 0.00 H ATOM 2609 N GLU B 65 10.562 22.645 38.425 1.00 8.01 N ATOM 2610 CA GLU B 65 10.320 24.062 38.553 1.00 8.56 C ATOM 2611 C GLU B 65 11.113 24.802 37.475 1.00 8.00 C ATOM 2612 O GLU B 65 12.264 24.499 37.218 1.00 9.16 O ATOM 2613 CB GLU B 65 10.763 24.521 39.947 1.00 11.73 C ATOM 2614 CG GLU B 65 10.147 25.825 40.412 1.00 14.09 C ATOM 2615 CD GLU B 65 10.561 26.270 41.780 1.00 20.00 C ATOM 2616 OE1 GLU B 65 9.693 26.385 42.689 1.00 34.53 O ATOM 2617 OE2 GLU B 65 11.761 26.533 42.048 1.00 23.72 O ATOM 2618 HA GLU B 65 9.259 24.278 38.427 1.00 0.00 H ATOM 2619 HB2 GLU B 65 10.493 23.744 40.662 1.00 0.00 H ATOM 2620 HB3 GLU B 65 11.846 24.642 39.936 1.00 0.00 H ATOM 2621 HG2 GLU B 65 10.429 26.604 39.703 1.00 0.00 H ATOM 2622 HG3 GLU B 65 9.063 25.707 40.408 1.00 0.00 H ATOM 2623 H GLU B 65 11.461 22.257 38.775 1.00 0.00 H ATOM 2624 N ILE B 66 10.445 25.756 36.825 1.00 8.25 N ATOM 2625 CA ILE B 66 11.051 26.483 35.703 1.00 8.37 C ATOM 2626 C ILE B 66 10.950 27.954 36.025 1.00 8.45 C ATOM 2627 O ILE B 66 9.852 28.504 36.059 1.00 8.98 O ATOM 2628 CB ILE B 66 10.357 26.194 34.365 1.00 9.51 C ATOM 2629 CG1 ILE B 66 10.079 24.727 34.053 1.00 9.97 C ATOM 2630 CG2 ILE B 66 11.161 26.838 33.229 1.00 8.76 C ATOM 2631 CD1 ILE B 66 11.311 23.918 33.693 1.00 9.04 C ATOM 2632 HA ILE B 66 12.085 26.160 35.585 1.00 0.00 H ATOM 2633 HB ILE B 66 9.365 26.636 34.457 1.00 0.00 H ATOM 2634 HG12 ILE B 66 9.617 24.273 34.930 1.00 0.00 H ATOM 2635 HG13 ILE B 66 9.384 24.682 33.214 1.00 0.00 H ATOM 2636 HD11 ILE B 66 11.781 24.348 32.809 1.00 0.00 H ATOM 2637 HD12 ILE B 66 12.014 23.939 34.526 1.00 0.00 H ATOM 2638 HD13 ILE B 66 11.020 22.888 33.487 1.00 0.00 H ATOM 2639 HG21 ILE B 66 11.214 27.915 33.389 1.00 0.00 H ATOM 2640 HG22 ILE B 66 12.168 26.421 33.217 1.00 0.00 H ATOM 2641 HG23 ILE B 66 10.670 26.634 32.277 1.00 0.00 H ATOM 2642 H ILE B 66 9.475 25.990 37.119 1.00 0.00 H ATOM 2643 N ALA B 67 12.095 28.588 36.281 1.00 9.62 N ATOM 2644 CA ALA B 67 12.072 30.019 36.589 1.00 11.01 C ATOM 2645 C ALA B 67 11.105 30.323 37.718 1.00 11.54 C ATOM 2646 O ALA B 67 10.397 31.335 37.706 1.00 15.05 O ATOM 2647 CB ALA B 67 11.788 30.871 35.387 1.00 14.71 C ATOM 2648 HA ALA B 67 13.077 30.279 36.921 1.00 0.00 H ATOM 2649 HB1 ALA B 67 12.560 30.705 34.635 1.00 0.00 H ATOM 2650 HB2 ALA B 67 10.815 30.604 34.976 1.00 0.00 H ATOM 2651 HB3 ALA B 67 11.784 31.921 35.680 1.00 0.00 H ATOM 2652 H ALA B 67 12.997 28.070 36.262 1.00 0.00 H ATOM 2653 N GLY B 68 11.027 29.435 38.712 1.00 12.45 N ATOM 2654 CA GLY B 68 10.170 29.657 39.844 1.00 15.19 C ATOM 2655 C GLY B 68 8.742 29.159 39.675 1.00 14.71 C ATOM 2656 O GLY B 68 7.947 29.169 40.634 1.00 22.02 O ATOM 2657 HA3 GLY B 68 10.134 30.729 40.037 1.00 0.00 H ATOM 2658 HA2 GLY B 68 10.606 29.149 40.704 1.00 0.00 H ATOM 2659 H GLY B 68 11.597 28.566 38.666 1.00 0.00 H ATOM 2660 N HIS B 69 8.345 28.676 38.498 1.00 10.38 N ATOM 2661 CA HIS B 69 6.989 28.217 38.225 1.00 10.57 C ATOM 2662 C HIS B 69 6.943 26.700 38.264 1.00 10.07 C ATOM 2663 O HIS B 69 7.742 26.030 37.635 1.00 10.65 O ATOM 2664 CB HIS B 69 6.565 28.715 36.829 1.00 12.13 C ATOM 2665 CG HIS B 69 6.349 30.179 36.783 1.00 13.44 C ATOM 2666 ND1 HIS B 69 7.307 31.142 36.800 1.00 21.64 N ATOM 2667 CD2 HIS B 69 5.157 30.778 36.691 1.00 18.37 C ATOM 2668 CE1 HIS B 69 6.726 32.339 36.741 1.00 25.95 C ATOM 2669 NE2 HIS B 69 5.405 32.149 36.675 1.00 25.08 N ATOM 2670 HA HIS B 69 6.308 28.611 38.980 1.00 0.00 H ATOM 2671 HB2 HIS B 69 7.346 28.455 36.114 1.00 0.00 H ATOM 2672 HB3 HIS B 69 5.637 28.217 36.548 1.00 0.00 H ATOM 2673 HD2 HIS B 69 4.184 30.290 36.639 1.00 0.00 H ATOM 2674 HE1 HIS B 69 7.237 33.302 36.746 1.00 0.00 H ATOM 2675 H HIS B 69 9.044 28.624 37.729 1.00 0.00 H ATOM 2676 N LYS B 70 6.000 26.116 38.983 1.00 11.95 N ATOM 2677 CA LYS B 70 5.952 24.653 39.170 1.00 12.36 C ATOM 2678 C LYS B 70 5.223 24.017 38.012 1.00 12.32 C ATOM 2679 O LYS B 70 4.171 24.454 37.568 1.00 18.89 O ATOM 2680 CB LYS B 70 5.341 24.260 40.513 1.00 20.51 C ATOM 2681 CG LYS B 70 6.125 24.830 41.678 1.00 32.66 C ATOM 2682 CD LYS B 70 5.938 24.165 43.031 1.00 51.11 C ATOM 2683 CE LYS B 70 6.347 25.123 44.143 1.00 62.49 C ATOM 2684 NZ LYS B 70 7.495 26.025 43.793 1.00 70.23 N ATOM 2685 HA LYS B 70 6.975 24.277 39.188 1.00 0.00 H ATOM 2686 HB2 LYS B 70 4.319 24.635 40.559 1.00 0.00 H ATOM 2687 HB3 LYS B 70 5.332 23.173 40.592 1.00 0.00 H ATOM 2688 HG2 LYS B 70 7.183 24.766 41.424 1.00 0.00 H ATOM 2689 HG3 LYS B 70 5.841 25.877 41.784 1.00 0.00 H ATOM 2690 HD2 LYS B 70 4.891 23.891 43.157 1.00 0.00 H ATOM 2691 HD3 LYS B 70 6.556 23.268 43.081 1.00 0.00 H ATOM 2692 HE2 LYS B 70 6.630 24.533 45.015 1.00 0.00 H ATOM 2693 HE3 LYS B 70 5.487 25.745 44.391 1.00 0.00 H ATOM 2694 HZ1 LYS B 70 8.330 25.449 43.566 1.00 0.00 H ATOM 2695 HZ2 LYS B 70 7.239 26.606 42.970 1.00 0.00 H ATOM 2696 HZ3 LYS B 70 7.708 26.643 44.602 1.00 0.00 H ATOM 2697 H LYS B 70 5.270 26.706 39.431 1.00 0.00 H ATOM 2698 N ALA B 71 5.801 22.949 37.484 1.00 9.09 N ATOM 2699 CA ALA B 71 5.248 22.141 36.426 1.00 8.68 C ATOM 2700 C ALA B 71 5.405 20.669 36.832 1.00 7.83 C ATOM 2701 O ALA B 71 6.249 20.320 37.661 1.00 9.02 O ATOM 2702 CB ALA B 71 5.900 22.406 35.087 1.00 9.05 C ATOM 2703 HA ALA B 71 4.196 22.397 36.296 1.00 0.00 H ATOM 2704 HB1 ALA B 71 5.760 23.453 34.817 1.00 0.00 H ATOM 2705 HB2 ALA B 71 6.966 22.186 35.153 1.00 0.00 H ATOM 2706 HB3 ALA B 71 5.443 21.769 34.329 1.00 0.00 H ATOM 2707 H ALA B 71 6.729 22.671 37.863 1.00 0.00 H ATOM 2708 N ILE B 72 4.575 19.822 36.251 1.00 6.59 N ATOM 2709 CA ILE B 72 4.674 18.392 36.462 1.00 6.54 C ATOM 2710 C ILE B 72 4.349 17.764 35.103 1.00 6.26 C ATOM 2711 O ILE B 72 3.233 17.883 34.629 1.00 6.83 O ATOM 2712 CB ILE B 72 3.734 17.823 37.530 1.00 6.85 C ATOM 2713 CG1 ILE B 72 3.830 18.595 38.845 1.00 8.41 C ATOM 2714 CG2 ILE B 72 4.001 16.341 37.703 1.00 8.36 C ATOM 2715 CD1 ILE B 72 2.808 18.106 39.885 1.00 10.22 C ATOM 2716 HA ILE B 72 5.672 18.162 36.837 1.00 0.00 H ATOM 2717 HB ILE B 72 2.704 17.945 37.194 1.00 0.00 H ATOM 2718 HG12 ILE B 72 4.833 18.470 39.253 1.00 0.00 H ATOM 2719 HG13 ILE B 72 3.650 19.651 38.646 1.00 0.00 H ATOM 2720 HD11 ILE B 72 1.800 18.234 39.490 1.00 0.00 H ATOM 2721 HD12 ILE B 72 2.985 17.052 40.098 1.00 0.00 H ATOM 2722 HD13 ILE B 72 2.918 18.687 40.801 1.00 0.00 H ATOM 2723 HG21 ILE B 72 3.828 15.829 36.756 1.00 0.00 H ATOM 2724 HG22 ILE B 72 5.035 16.193 38.013 1.00 0.00 H ATOM 2725 HG23 ILE B 72 3.331 15.939 38.463 1.00 0.00 H ATOM 2726 H ILE B 72 3.831 20.191 35.625 1.00 0.00 H ATOM 2727 N GLY B 73 5.336 17.086 34.477 1.00 6.72 N ATOM 2728 CA GLY B 73 5.047 16.579 33.176 1.00 7.19 C ATOM 2729 C GLY B 73 6.153 15.738 32.607 1.00 6.94 C ATOM 2730 O GLY B 73 7.040 15.300 33.334 1.00 7.71 O ATOM 2731 HA3 GLY B 73 4.873 17.422 32.507 1.00 0.00 H ATOM 2732 HA2 GLY B 73 4.144 15.971 33.234 1.00 0.00 H ATOM 2733 H GLY B 73 6.264 16.941 34.924 1.00 0.00 H ATOM 2734 N THR B 74 6.122 15.559 31.300 1.00 6.79 N ATOM 2735 CA THR B 74 7.049 14.633 30.666 1.00 6.74 C ATOM 2736 C THR B 74 8.407 15.257 30.437 1.00 6.53 C ATOM 2737 O THR B 74 8.515 16.413 29.940 1.00 6.96 O ATOM 2738 CB THR B 74 6.475 14.184 29.344 1.00 8.00 C ATOM 2739 OG1 THR B 74 5.236 13.502 29.661 1.00 10.43 O ATOM 2740 CG2 THR B 74 7.384 13.194 28.620 1.00 9.50 C ATOM 2741 HA THR B 74 7.183 13.783 31.335 1.00 0.00 H ATOM 2742 HB THR B 74 6.348 15.048 28.692 1.00 0.00 H ATOM 2743 HG1 THR B 74 4.813 13.183 28.825 1.00 0.00 H ATOM 2744 HG23 THR B 74 8.325 13.683 28.370 1.00 0.00 H ATOM 2745 HG21 THR B 74 7.578 12.340 29.269 1.00 0.00 H ATOM 2746 HG22 THR B 74 6.895 12.855 27.707 1.00 0.00 H ATOM 2747 H THR B 74 5.433 16.081 30.721 1.00 0.00 H ATOM 2748 N VAL B 75 9.453 14.511 30.800 1.00 6.39 N ATOM 2749 CA VAL B 75 10.828 14.945 30.622 1.00 6.71 C ATOM 2750 C VAL B 75 11.540 13.831 29.860 1.00 6.26 C ATOM 2751 O VAL B 75 11.482 12.668 30.241 1.00 7.48 O ATOM 2752 CB VAL B 75 11.537 15.229 31.956 1.00 8.23 C ATOM 2753 CG1 VAL B 75 13.001 15.539 31.761 1.00 8.94 C ATOM 2754 CG2 VAL B 75 10.812 16.365 32.689 1.00 9.22 C ATOM 2755 HA VAL B 75 10.849 15.887 30.074 1.00 0.00 H ATOM 2756 HB VAL B 75 11.494 14.329 32.570 1.00 0.00 H ATOM 2757 HG11 VAL B 75 13.491 14.688 31.288 1.00 0.00 H ATOM 2758 HG12 VAL B 75 13.103 16.419 31.126 1.00 0.00 H ATOM 2759 HG13 VAL B 75 13.462 15.733 32.729 1.00 0.00 H ATOM 2760 HG21 VAL B 75 10.827 17.263 32.071 1.00 0.00 H ATOM 2761 HG22 VAL B 75 9.780 16.072 32.881 1.00 0.00 H ATOM 2762 HG23 VAL B 75 11.316 16.565 33.635 1.00 0.00 H ATOM 2763 H VAL B 75 9.276 13.580 31.228 1.00 0.00 H ATOM 2764 N LEU B 76 12.215 14.223 28.784 1.00 6.15 N ATOM 2765 CA LEU B 76 13.034 13.337 28.000 1.00 6.28 C ATOM 2766 C LEU B 76 14.490 13.500 28.411 1.00 6.93 C ATOM 2767 O LEU B 76 14.897 14.646 28.602 1.00 8.20 O ATOM 2768 CB LEU B 76 12.860 13.624 26.494 1.00 6.70 C ATOM 2769 CG LEU B 76 11.442 13.697 25.968 1.00 6.80 C ATOM 2770 CD1 LEU B 76 11.407 13.979 24.471 1.00 8.09 C ATOM 2771 CD2 LEU B 76 10.641 12.441 26.290 1.00 8.10 C ATOM 2772 HA LEU B 76 12.723 12.308 28.182 1.00 0.00 H ATOM 2773 HB2 LEU B 76 13.339 14.580 26.284 1.00 0.00 H ATOM 2774 HB3 LEU B 76 13.374 12.834 25.947 1.00 0.00 H ATOM 2775 HG LEU B 76 10.970 14.533 26.484 1.00 0.00 H ATOM 2776 HD21 LEU B 76 11.126 11.576 25.837 1.00 0.00 H ATOM 2777 HD22 LEU B 76 10.595 12.308 27.371 1.00 0.00 H ATOM 2778 HD23 LEU B 76 9.632 12.543 25.892 1.00 0.00 H ATOM 2779 HD11 LEU B 76 11.896 14.932 24.271 1.00 0.00 H ATOM 2780 HD12 LEU B 76 11.929 13.183 23.940 1.00 0.00 H ATOM 2781 HD13 LEU B 76 10.371 14.023 24.135 1.00 0.00 H ATOM 2782 H LEU B 76 12.148 15.220 28.494 1.00 0.00 H ATOM 2783 N VAL B 77 15.238 12.417 28.519 1.00 7.38 N ATOM 2784 CA VAL B 77 16.635 12.461 28.930 1.00 7.72 C ATOM 2785 C VAL B 77 17.443 11.806 27.826 1.00 8.91 C ATOM 2786 O VAL B 77 17.196 10.685 27.411 1.00 9.31 O ATOM 2787 CB VAL B 77 16.849 11.739 30.269 1.00 9.14 C ATOM 2788 CG1 VAL B 77 18.314 11.777 30.671 1.00 11.20 C ATOM 2789 CG2 VAL B 77 15.985 12.383 31.335 1.00 10.79 C ATOM 2790 HA VAL B 77 16.953 13.492 29.083 1.00 0.00 H ATOM 2791 HB VAL B 77 16.560 10.694 30.160 1.00 0.00 H ATOM 2792 HG11 VAL B 77 18.913 11.285 29.905 1.00 0.00 H ATOM 2793 HG12 VAL B 77 18.634 12.814 30.774 1.00 0.00 H ATOM 2794 HG13 VAL B 77 18.442 11.260 31.622 1.00 0.00 H ATOM 2795 HG21 VAL B 77 16.261 13.432 31.439 1.00 0.00 H ATOM 2796 HG22 VAL B 77 14.937 12.309 31.045 1.00 0.00 H ATOM 2797 HG23 VAL B 77 16.138 11.869 32.284 1.00 0.00 H ATOM 2798 H VAL B 77 14.812 11.494 28.301 1.00 0.00 H ATOM 2799 N GLY B 78 18.496 12.505 27.363 1.00 10.31 N ATOM 2800 CA GLY B 78 19.346 11.894 26.371 1.00 11.67 C ATOM 2801 C GLY B 78 20.396 12.915 25.891 1.00 12.08 C ATOM 2802 O GLY B 78 20.576 13.945 26.553 1.00 11.99 O ATOM 2803 HA3 GLY B 78 18.741 11.570 25.524 1.00 0.00 H ATOM 2804 HA2 GLY B 78 19.851 11.032 26.807 1.00 0.00 H ATOM 2805 H GLY B 78 18.692 13.464 27.713 1.00 0.00 H ATOM 2806 N PRO B 79 21.109 12.558 24.807 1.00 13.16 N ATOM 2807 CA PRO B 79 22.276 13.329 24.362 1.00 15.17 C ATOM 2808 C PRO B 79 21.958 14.592 23.616 1.00 15.24 C ATOM 2809 O PRO B 79 22.431 14.808 22.515 1.00 16.69 O ATOM 2810 CB PRO B 79 23.020 12.300 23.504 1.00 16.32 C ATOM 2811 CG PRO B 79 21.967 11.426 22.959 1.00 17.71 C ATOM 2812 CD PRO B 79 20.941 11.282 24.065 1.00 14.86 C ATOM 2813 HA PRO B 79 22.854 13.723 25.198 1.00 0.00 H ATOM 2814 HD3 PRO B 79 19.933 11.188 23.661 1.00 0.00 H ATOM 2815 HD2 PRO B 79 21.159 10.423 24.699 1.00 0.00 H ATOM 2816 HG3 PRO B 79 22.380 10.453 22.694 1.00 0.00 H ATOM 2817 HG2 PRO B 79 21.515 11.880 22.077 1.00 0.00 H ATOM 2818 HB2 PRO B 79 23.564 12.794 22.698 1.00 0.00 H ATOM 2819 HB3 PRO B 79 23.718 11.726 24.113 1.00 0.00 H ATOM 2820 N THR B 80 21.196 15.465 24.274 1.00 13.29 N ATOM 2821 CA THR B 80 20.947 16.804 23.772 1.00 10.62 C ATOM 2822 C THR B 80 22.157 17.654 24.081 1.00 9.82 C ATOM 2823 O THR B 80 22.778 17.555 25.154 1.00 12.31 O ATOM 2824 CB THR B 80 19.662 17.417 24.354 1.00 10.56 C ATOM 2825 OG1 THR B 80 19.527 18.715 23.813 1.00 9.94 O ATOM 2826 CG2 THR B 80 19.694 17.498 25.890 1.00 11.49 C ATOM 2827 HA THR B 80 20.788 16.759 22.695 1.00 0.00 H ATOM 2828 HB THR B 80 18.817 16.781 24.091 1.00 0.00 H ATOM 2829 HG1 THR B 80 20.315 19.259 24.064 1.00 0.00 H ATOM 2830 HG23 THR B 80 19.798 16.495 26.303 1.00 0.00 H ATOM 2831 HG21 THR B 80 20.539 18.111 26.203 1.00 0.00 H ATOM 2832 HG22 THR B 80 18.767 17.946 26.248 1.00 0.00 H ATOM 2833 H THR B 80 20.766 15.178 25.176 1.00 0.00 H ATOM 2834 N PRO B 81 22.563 18.535 23.160 1.00 10.49 N ATOM 2835 CA PRO B 81 23.613 19.508 23.417 1.00 9.38 C ATOM 2836 C PRO B 81 23.361 20.476 24.543 1.00 9.50 C ATOM 2837 O PRO B 81 24.313 21.039 25.093 1.00 12.89 O ATOM 2838 CB PRO B 81 23.670 20.321 22.105 1.00 10.81 C ATOM 2839 CG PRO B 81 23.240 19.341 21.085 1.00 11.71 C ATOM 2840 CD PRO B 81 22.124 18.581 21.740 1.00 9.52 C ATOM 2841 HA PRO B 81 24.518 18.977 23.713 1.00 0.00 H ATOM 2842 HD3 PRO B 81 21.174 19.106 21.637 1.00 0.00 H ATOM 2843 HD2 PRO B 81 22.030 17.578 21.323 1.00 0.00 H ATOM 2844 HG3 PRO B 81 24.060 18.672 20.823 1.00 0.00 H ATOM 2845 HG2 PRO B 81 22.886 19.849 20.188 1.00 0.00 H ATOM 2846 HB2 PRO B 81 22.990 21.172 22.142 1.00 0.00 H ATOM 2847 HB3 PRO B 81 24.682 20.674 21.907 1.00 0.00 H ATOM 2848 N VAL B 82 22.092 20.763 24.801 1.00 8.86 N ATOM 2849 CA VAL B 82 21.674 21.798 25.720 1.00 9.91 C ATOM 2850 C VAL B 82 20.343 21.352 26.357 1.00 8.15 C ATOM 2851 O VAL B 82 19.509 20.759 25.692 1.00 8.83 O ATOM 2852 CB VAL B 82 21.305 23.076 24.890 1.00 16.89 C ATOM 2853 CG1 VAL B 82 20.926 24.241 25.807 1.00 21.46 C ATOM 2854 CG2 VAL B 82 22.389 23.553 23.911 1.00 14.55 C ATOM 2855 HA VAL B 82 22.461 21.983 26.451 1.00 0.00 H ATOM 2856 HB VAL B 82 20.454 22.761 24.286 1.00 0.00 H ATOM 2857 HG11 VAL B 82 20.065 23.959 26.414 1.00 0.00 H ATOM 2858 HG12 VAL B 82 21.768 24.479 26.457 1.00 0.00 H ATOM 2859 HG13 VAL B 82 20.676 25.112 25.201 1.00 0.00 H ATOM 2860 HG21 VAL B 82 23.297 23.792 24.465 1.00 0.00 H ATOM 2861 HG22 VAL B 82 22.599 22.763 23.190 1.00 0.00 H ATOM 2862 HG23 VAL B 82 22.037 24.441 23.386 1.00 0.00 H ATOM 2863 H VAL B 82 21.356 20.212 24.315 1.00 0.00 H ATOM 2864 N ASN B 83 20.164 21.667 27.641 1.00 7.26 N ATOM 2865 CA ASN B 83 18.857 21.424 28.264 1.00 6.41 C ATOM 2866 C ASN B 83 17.819 22.355 27.641 1.00 5.92 C ATOM 2867 O ASN B 83 18.058 23.561 27.584 1.00 6.66 O ATOM 2868 CB ASN B 83 18.924 21.673 29.757 1.00 7.38 C ATOM 2869 CG ASN B 83 19.848 20.757 30.523 1.00 7.89 C ATOM 2870 OD1 ASN B 83 20.001 19.591 30.195 1.00 9.92 O ATOM 2871 ND2 ASN B 83 20.467 21.297 31.548 1.00 10.15 N ATOM 2872 HA ASN B 83 18.575 20.385 28.095 1.00 0.00 H ATOM 2873 HB2 ASN B 83 19.260 22.698 29.913 1.00 0.00 H ATOM 2874 HB3 ASN B 83 17.920 21.555 30.164 1.00 0.00 H ATOM 2875 HD22 ASN B 83 20.303 22.296 31.787 1.00 0.00 H ATOM 2876 HD21 ASN B 83 21.121 20.726 32.120 1.00 0.00 H ATOM 2877 H ASN B 83 20.942 22.080 28.194 1.00 0.00 H ATOM 2878 N ILE B 84 16.687 21.810 27.231 1.00 5.69 N ATOM 2879 CA ILE B 84 15.639 22.621 26.568 1.00 6.02 C ATOM 2880 C ILE B 84 14.314 22.370 27.250 1.00 5.95 C ATOM 2881 O ILE B 84 13.911 21.235 27.531 1.00 6.87 O ATOM 2882 CB ILE B 84 15.568 22.504 25.024 1.00 9.13 C ATOM 2883 CG1 ILE B 84 14.277 21.919 24.431 1.00 9.17 C ATOM 2884 CG2 ILE B 84 16.832 21.828 24.466 1.00 6.31 C ATOM 2885 CD1 ILE B 84 14.568 21.175 23.139 1.00 16.50 C ATOM 2886 HA ILE B 84 15.924 23.665 26.697 1.00 0.00 H ATOM 2887 HB ILE B 84 15.530 23.538 24.681 1.00 0.00 H ATOM 2888 HG12 ILE B 84 13.834 21.229 25.149 1.00 0.00 H ATOM 2889 HG13 ILE B 84 13.577 22.729 24.228 1.00 0.00 H ATOM 2890 HD11 ILE B 84 15.008 21.862 22.417 1.00 0.00 H ATOM 2891 HD12 ILE B 84 15.265 20.361 23.339 1.00 0.00 H ATOM 2892 HD13 ILE B 84 13.639 20.770 22.738 1.00 0.00 H ATOM 2893 HG21 ILE B 84 17.707 22.420 24.733 1.00 0.00 H ATOM 2894 HG22 ILE B 84 16.925 20.828 24.890 1.00 0.00 H ATOM 2895 HG23 ILE B 84 16.756 21.758 23.381 1.00 0.00 H ATOM 2896 H ILE B 84 16.529 20.792 27.376 1.00 0.00 H ATOM 2897 N ILE B 85 13.603 23.464 27.497 1.00 5.58 N ATOM 2898 CA ILE B 85 12.234 23.453 27.980 1.00 6.04 C ATOM 2899 C ILE B 85 11.346 23.700 26.783 1.00 6.08 C ATOM 2900 O ILE B 85 11.380 24.780 26.193 1.00 7.84 O ATOM 2901 CB ILE B 85 11.976 24.517 29.064 1.00 7.00 C ATOM 2902 CG1 ILE B 85 12.994 24.438 30.222 1.00 8.53 C ATOM 2903 CG2 ILE B 85 10.529 24.431 29.558 1.00 8.92 C ATOM 2904 CD1 ILE B 85 13.062 23.085 30.862 1.00 12.06 C ATOM 2905 HA ILE B 85 12.025 22.492 28.450 1.00 0.00 H ATOM 2906 HB ILE B 85 12.121 25.498 28.610 1.00 0.00 H ATOM 2907 HG12 ILE B 85 13.981 24.686 29.832 1.00 0.00 H ATOM 2908 HG13 ILE B 85 12.711 25.166 30.982 1.00 0.00 H ATOM 2909 HD11 ILE B 85 12.084 22.826 31.267 1.00 0.00 H ATOM 2910 HD12 ILE B 85 13.355 22.346 30.116 1.00 0.00 H ATOM 2911 HD13 ILE B 85 13.797 23.102 31.667 1.00 0.00 H ATOM 2912 HG21 ILE B 85 9.850 24.601 28.722 1.00 0.00 H ATOM 2913 HG22 ILE B 85 10.348 23.442 29.979 1.00 0.00 H ATOM 2914 HG23 ILE B 85 10.362 25.189 30.323 1.00 0.00 H ATOM 2915 H ILE B 85 14.055 24.386 27.334 1.00 0.00 H ATOM 2916 N GLY B 86 10.569 22.692 26.406 1.00 5.77 N ATOM 2917 CA GLY B 86 9.726 22.761 25.247 1.00 5.98 C ATOM 2918 C GLY B 86 8.291 23.052 25.569 1.00 5.64 C ATOM 2919 O GLY B 86 7.909 23.329 26.720 1.00 6.13 O ATOM 2920 HA3 GLY B 86 9.776 21.805 24.726 1.00 0.00 H ATOM 2921 HA2 GLY B 86 10.100 23.549 24.594 1.00 0.00 H ATOM 2922 H GLY B 86 10.571 21.819 26.972 1.00 0.00 H ATOM 2923 N ARG B 87 7.469 22.999 24.537 1.00 5.64 N ATOM 2924 CA ARG B 87 6.116 23.497 24.645 1.00 5.90 C ATOM 2925 C ARG B 87 5.272 22.715 25.634 1.00 6.00 C ATOM 2926 O ARG B 87 4.354 23.290 26.226 1.00 7.01 O ATOM 2927 CB ARG B 87 5.411 23.520 23.264 1.00 6.47 C ATOM 2928 CG ARG B 87 6.078 24.557 22.326 1.00 6.61 C ATOM 2929 CD ARG B 87 5.349 24.677 20.966 1.00 7.39 C ATOM 2930 NE ARG B 87 5.327 23.426 20.231 1.00 7.57 N ATOM 2931 CZ ARG B 87 4.386 22.540 20.243 1.00 7.81 C ATOM 2932 NH1 ARG B 87 3.231 22.705 20.864 1.00 8.41 N ATOM 2933 NH2 ARG B 87 4.574 21.403 19.550 1.00 9.54 N ATOM 2934 HA ARG B 87 6.206 24.515 25.023 1.00 0.00 H ATOM 2935 HB2 ARG B 87 5.479 22.531 22.811 1.00 0.00 H ATOM 2936 HB3 ARG B 87 4.362 23.784 23.402 1.00 0.00 H ATOM 2937 HG2 ARG B 87 6.068 25.531 22.816 1.00 0.00 H ATOM 2938 HG3 ARG B 87 7.109 24.254 22.145 1.00 0.00 H ATOM 2939 HD2 ARG B 87 5.858 25.428 20.362 1.00 0.00 H ATOM 2940 HD3 ARG B 87 4.322 24.994 21.147 1.00 0.00 H ATOM 2941 HE ARG B 87 6.153 23.221 19.633 1.00 0.00 H ATOM 2942 HH12 ARG B 87 2.513 21.953 20.836 1.00 0.00 H ATOM 2943 HH11 ARG B 87 3.040 23.587 21.381 1.00 0.00 H ATOM 2944 HH22 ARG B 87 3.835 20.671 19.541 1.00 0.00 H ATOM 2945 HH21 ARG B 87 5.459 21.255 19.023 1.00 0.00 H ATOM 2946 H ARG B 87 7.798 22.595 23.637 1.00 0.00 H ATOM 2947 N ASN B 88 5.549 21.451 25.823 1.00 6.17 N ATOM 2948 CA ASN B 88 4.768 20.667 26.814 1.00 6.71 C ATOM 2949 C ASN B 88 4.802 21.325 28.183 1.00 7.39 C ATOM 2950 O ASN B 88 3.808 21.266 28.912 1.00 10.07 O ATOM 2951 CB ASN B 88 5.190 19.219 26.869 1.00 7.25 C ATOM 2952 CG ASN B 88 6.541 19.013 27.540 1.00 7.14 C ATOM 2953 OD1 ASN B 88 7.545 19.607 27.181 1.00 7.84 O ATOM 2954 ND2 ASN B 88 6.519 18.130 28.535 1.00 8.03 N ATOM 2955 HA ASN B 88 3.732 20.665 26.476 1.00 0.00 H ATOM 2956 HB2 ASN B 88 4.438 18.660 27.425 1.00 0.00 H ATOM 2957 HB3 ASN B 88 5.247 18.835 25.850 1.00 0.00 H ATOM 2958 HD22 ASN B 88 5.629 17.658 28.792 1.00 0.00 H ATOM 2959 HD21 ASN B 88 7.392 17.912 29.056 1.00 0.00 H ATOM 2960 H ASN B 88 6.312 20.997 25.282 1.00 0.00 H ATOM 2961 N LEU B 89 5.926 21.905 28.589 1.00 6.22 N ATOM 2962 CA LEU B 89 6.021 22.564 29.885 1.00 6.93 C ATOM 2963 C LEU B 89 5.871 24.069 29.776 1.00 6.61 C ATOM 2964 O LEU B 89 5.382 24.689 30.720 1.00 8.09 O ATOM 2965 CB LEU B 89 7.310 22.201 30.601 1.00 7.73 C ATOM 2966 CG LEU B 89 7.479 20.708 30.882 1.00 8.35 C ATOM 2967 CD1 LEU B 89 8.777 20.446 31.629 1.00 11.64 C ATOM 2968 CD2 LEU B 89 6.311 20.095 31.576 1.00 11.88 C ATOM 2969 HA LEU B 89 5.186 22.197 30.482 1.00 0.00 H ATOM 2970 HB2 LEU B 89 8.147 22.529 29.984 1.00 0.00 H ATOM 2971 HB3 LEU B 89 7.332 22.732 31.553 1.00 0.00 H ATOM 2972 HG LEU B 89 7.530 20.214 29.911 1.00 0.00 H ATOM 2973 HD21 LEU B 89 6.158 20.592 32.534 1.00 0.00 H ATOM 2974 HD22 LEU B 89 5.421 20.212 30.958 1.00 0.00 H ATOM 2975 HD23 LEU B 89 6.504 19.035 31.742 1.00 0.00 H ATOM 2976 HD11 LEU B 89 9.618 20.789 31.026 1.00 0.00 H ATOM 2977 HD12 LEU B 89 8.764 20.984 32.577 1.00 0.00 H ATOM 2978 HD13 LEU B 89 8.876 19.377 31.818 1.00 0.00 H ATOM 2979 H LEU B 89 6.759 21.888 27.966 1.00 0.00 H ATOM 2980 N LEU B 90 6.209 24.707 28.639 1.00 6.47 N ATOM 2981 CA LEU B 90 5.934 26.114 28.481 1.00 6.37 C ATOM 2982 C LEU B 90 4.449 26.408 28.620 1.00 6.68 C ATOM 2983 O LEU B 90 4.053 27.439 29.205 1.00 7.79 O ATOM 2984 CB LEU B 90 6.460 26.660 27.143 1.00 6.84 C ATOM 2985 CG LEU B 90 7.973 26.645 26.961 1.00 7.69 C ATOM 2986 CD1 LEU B 90 8.359 26.936 25.502 1.00 9.45 C ATOM 2987 CD2 LEU B 90 8.686 27.548 27.934 1.00 9.93 C ATOM 2988 HA LEU B 90 6.466 26.626 29.283 1.00 0.00 H ATOM 2989 HB2 LEU B 90 6.022 26.062 26.344 1.00 0.00 H ATOM 2990 HB3 LEU B 90 6.123 27.692 27.049 1.00 0.00 H ATOM 2991 HG LEU B 90 8.312 25.636 27.194 1.00 0.00 H ATOM 2992 HD21 LEU B 90 8.343 28.573 27.795 1.00 0.00 H ATOM 2993 HD22 LEU B 90 8.469 27.226 28.953 1.00 0.00 H ATOM 2994 HD23 LEU B 90 9.760 27.496 27.756 1.00 0.00 H ATOM 2995 HD11 LEU B 90 7.922 26.177 24.854 1.00 0.00 H ATOM 2996 HD12 LEU B 90 7.983 27.919 25.217 1.00 0.00 H ATOM 2997 HD13 LEU B 90 9.444 26.918 25.404 1.00 0.00 H ATOM 2998 H LEU B 90 6.671 24.182 27.870 1.00 0.00 H ATOM 2999 N THR B 91 3.584 25.540 28.122 1.00 6.61 N ATOM 3000 CA THR B 91 2.160 25.732 28.289 1.00 7.40 C ATOM 3001 C THR B 91 1.732 25.619 29.759 1.00 8.07 C ATOM 3002 O THR B 91 0.839 26.316 30.184 1.00 11.88 O ATOM 3003 CB THR B 91 1.340 24.785 27.418 1.00 8.50 C ATOM 3004 OG1 THR B 91 1.682 23.441 27.724 1.00 10.04 O ATOM 3005 CG2 THR B 91 1.516 25.103 25.940 1.00 9.59 C ATOM 3006 HA THR B 91 1.953 26.749 27.956 1.00 0.00 H ATOM 3007 HB THR B 91 0.281 24.923 27.637 1.00 0.00 H ATOM 3008 HG1 THR B 91 1.149 22.829 27.158 1.00 0.00 H ATOM 3009 HG23 THR B 91 1.242 26.142 25.758 1.00 0.00 H ATOM 3010 HG21 THR B 91 2.557 24.946 25.657 1.00 0.00 H ATOM 3011 HG22 THR B 91 0.875 24.448 25.350 1.00 0.00 H ATOM 3012 H THR B 91 3.932 24.708 27.604 1.00 0.00 H ATOM 3013 N GLN B 92 2.387 24.783 30.551 1.00 7.98 N ATOM 3014 CA GLN B 92 2.053 24.678 31.958 1.00 9.18 C ATOM 3015 C GLN B 92 2.405 25.909 32.731 1.00 10.10 C ATOM 3016 O GLN B 92 1.726 26.160 33.735 1.00 15.15 O ATOM 3017 CB GLN B 92 2.762 23.468 32.604 1.00 8.78 C ATOM 3018 CG GLN B 92 2.280 22.152 32.166 1.00 8.06 C ATOM 3019 CD GLN B 92 2.616 21.006 33.088 1.00 7.54 C ATOM 3020 OE1 GLN B 92 2.913 21.240 34.269 1.00 8.57 O ATOM 3021 NE2 GLN B 92 2.533 19.798 32.587 1.00 8.12 N ATOM 3022 HA GLN B 92 0.972 24.547 31.999 1.00 0.00 H ATOM 3023 HB2 GLN B 92 3.824 23.534 32.368 1.00 0.00 H ATOM 3024 HB3 GLN B 92 2.626 23.535 33.683 1.00 0.00 H ATOM 3025 HG2 GLN B 92 1.195 22.204 32.073 1.00 0.00 H ATOM 3026 HG3 GLN B 92 2.717 21.940 31.190 1.00 0.00 H ATOM 3027 HE22 GLN B 92 2.279 19.666 31.587 1.00 0.00 H ATOM 3028 HE21 GLN B 92 2.721 18.971 33.189 1.00 0.00 H ATOM 3029 H GLN B 92 3.150 24.195 30.159 1.00 0.00 H ATOM 3030 N ILE B 93 3.396 26.672 32.314 1.00 9.85 N ATOM 3031 CA ILE B 93 3.800 27.868 33.064 1.00 11.48 C ATOM 3032 C ILE B 93 3.153 29.109 32.441 1.00 11.34 C ATOM 3033 O ILE B 93 3.400 30.220 32.873 1.00 14.65 O ATOM 3034 CB ILE B 93 5.325 27.998 33.195 1.00 11.59 C ATOM 3035 CG1 ILE B 93 6.010 28.316 31.894 1.00 13.07 C ATOM 3036 CG2 ILE B 93 5.862 26.733 33.920 1.00 15.54 C ATOM 3037 CD1 ILE B 93 7.543 28.504 32.025 1.00 16.59 C ATOM 3038 HA ILE B 93 3.437 27.769 34.087 1.00 0.00 H ATOM 3039 HB ILE B 93 5.568 28.867 33.806 1.00 0.00 H ATOM 3040 HG12 ILE B 93 5.822 27.499 31.197 1.00 0.00 H ATOM 3041 HG13 ILE B 93 5.583 29.237 31.496 1.00 0.00 H ATOM 3042 HD11 ILE B 93 7.750 29.326 32.710 1.00 0.00 H ATOM 3043 HD12 ILE B 93 7.989 27.587 32.411 1.00 0.00 H ATOM 3044 HD13 ILE B 93 7.965 28.730 31.046 1.00 0.00 H ATOM 3045 HG21 ILE B 93 5.406 26.661 34.907 1.00 0.00 H ATOM 3046 HG22 ILE B 93 5.611 25.847 33.337 1.00 0.00 H ATOM 3047 HG23 ILE B 93 6.945 26.807 34.023 1.00 0.00 H ATOM 3048 H ILE B 93 3.900 26.423 31.439 1.00 0.00 H ATOM 3049 N GLY B 94 2.302 28.932 31.419 1.00 11.16 N ATOM 3050 CA GLY B 94 1.490 29.991 30.822 1.00 12.65 C ATOM 3051 C GLY B 94 2.315 30.856 29.885 1.00 11.54 C ATOM 3052 O GLY B 94 1.970 32.015 29.670 1.00 15.74 O ATOM 3053 HA3 GLY B 94 1.082 30.616 31.616 1.00 0.00 H ATOM 3054 HA2 GLY B 94 0.672 29.539 30.261 1.00 0.00 H ATOM 3055 H GLY B 94 2.214 27.974 31.024 1.00 0.00 H ATOM 3056 N ALA B 95 3.368 30.334 29.259 1.00 9.89 N ATOM 3057 CA ALA B 95 4.177 31.170 28.371 1.00 9.14 C ATOM 3058 C ALA B 95 3.535 31.377 27.011 1.00 8.83 C ATOM 3059 O ALA B 95 2.987 30.455 26.437 1.00 11.06 O ATOM 3060 CB ALA B 95 5.542 30.562 28.186 1.00 11.58 C ATOM 3061 HA ALA B 95 4.257 32.146 28.850 1.00 0.00 H ATOM 3062 HB1 ALA B 95 6.038 30.484 29.154 1.00 0.00 H ATOM 3063 HB2 ALA B 95 5.440 29.569 27.748 1.00 0.00 H ATOM 3064 HB3 ALA B 95 6.133 31.194 27.523 1.00 0.00 H ATOM 3065 H ALA B 95 3.615 29.334 29.401 1.00 0.00 H ATOM 3066 N THR B 96 3.701 32.570 26.484 1.00 9.09 N ATOM 3067 CA THR B 96 3.295 32.929 25.140 1.00 9.45 C ATOM 3068 C THR B 96 4.406 33.696 24.463 1.00 8.99 C ATOM 3069 O THR B 96 5.286 34.292 25.125 1.00 10.22 O ATOM 3070 CB THR B 96 1.999 33.812 25.126 1.00 11.16 C ATOM 3071 OG1 THR B 96 2.185 34.976 25.892 1.00 13.17 O ATOM 3072 CG2 THR B 96 0.823 33.031 25.691 1.00 15.21 C ATOM 3073 HA THR B 96 3.081 32.001 24.610 1.00 0.00 H ATOM 3074 HB THR B 96 1.792 34.090 24.092 1.00 0.00 H ATOM 3075 HG1 THR B 96 2.393 34.725 26.827 1.00 0.00 H ATOM 3076 HG23 THR B 96 0.673 32.126 25.102 1.00 0.00 H ATOM 3077 HG21 THR B 96 1.031 32.761 26.726 1.00 0.00 H ATOM 3078 HG22 THR B 96 -0.075 33.647 25.648 1.00 0.00 H ATOM 3079 H THR B 96 4.152 33.302 27.069 1.00 0.00 H ATOM 3080 N LEU B 97 4.375 33.701 23.136 1.00 8.98 N ATOM 3081 CA LEU B 97 5.224 34.560 22.318 1.00 9.35 C ATOM 3082 C LEU B 97 4.403 35.761 21.927 1.00 10.20 C ATOM 3083 O LEU B 97 3.236 35.634 21.545 1.00 15.09 O ATOM 3084 CB LEU B 97 5.833 33.735 21.197 1.00 12.28 C ATOM 3085 CG LEU B 97 7.008 34.237 20.369 1.00 11.03 C ATOM 3086 CD1 LEU B 97 8.257 34.444 21.197 1.00 11.63 C ATOM 3087 CD2 LEU B 97 7.273 33.253 19.230 1.00 18.01 C ATOM 3088 HA LEU B 97 6.093 34.960 22.840 1.00 0.00 H ATOM 3089 HB2 LEU B 97 6.157 32.798 21.650 1.00 0.00 H ATOM 3090 HB3 LEU B 97 5.026 33.536 20.492 1.00 0.00 H ATOM 3091 HG LEU B 97 6.743 35.214 19.965 1.00 0.00 H ATOM 3092 HD21 LEU B 97 7.508 32.273 19.645 1.00 0.00 H ATOM 3093 HD22 LEU B 97 6.385 33.179 18.602 1.00 0.00 H ATOM 3094 HD23 LEU B 97 8.114 33.607 18.634 1.00 0.00 H ATOM 3095 HD11 LEU B 97 8.057 35.180 21.976 1.00 0.00 H ATOM 3096 HD12 LEU B 97 8.549 33.499 21.655 1.00 0.00 H ATOM 3097 HD13 LEU B 97 9.062 34.802 20.555 1.00 0.00 H ATOM 3098 H LEU B 97 3.712 33.060 22.655 1.00 0.00 H ATOM 3099 N ASN B 98 4.974 36.934 22.002 1.00 9.76 N ATOM 3100 CA ASN B 98 4.232 38.153 21.715 1.00 10.29 C ATOM 3101 C ASN B 98 5.050 39.072 20.820 1.00 11.77 C ATOM 3102 O ASN B 98 6.251 39.263 21.097 1.00 12.61 O ATOM 3103 CB ASN B 98 3.945 38.907 23.037 1.00 11.37 C ATOM 3104 CG ASN B 98 3.028 38.112 23.942 1.00 12.55 C ATOM 3105 OD1 ASN B 98 1.811 38.346 23.972 1.00 18.17 O ATOM 3106 ND2 ASN B 98 3.494 37.136 24.638 1.00 13.54 N ATOM 3107 HA ASN B 98 3.302 37.880 21.216 1.00 0.00 H ATOM 3108 HB2 ASN B 98 4.887 39.085 23.555 1.00 0.00 H ATOM 3109 HB3 ASN B 98 3.473 39.862 22.805 1.00 0.00 H ATOM 3110 HD22 ASN B 98 4.513 36.927 24.624 1.00 0.00 H ATOM 3111 HD21 ASN B 98 2.852 36.556 25.215 1.00 0.00 H ATOM 3112 H ASN B 98 5.976 36.998 22.272 1.00 0.00 H ATOM 3113 N PHE B 99 4.440 39.597 19.796 1.00 15.39 N ATOM 3114 CA PHE B 99 5.096 40.713 19.079 1.00 17.55 C ATOM 3115 C PHE B 99 4.069 41.659 18.521 1.00 25.44 C ATOM 3116 O PHE B 99 4.416 42.663 17.814 1.00 27.63 O ATOM 3117 CB PHE B 99 6.054 40.242 17.982 1.00 17.16 C ATOM 3118 CG PHE B 99 5.582 39.192 17.020 1.00 21.52 C ATOM 3119 CD1 PHE B 99 5.547 37.861 17.380 1.00 24.11 C ATOM 3120 CD2 PHE B 99 5.146 39.541 15.743 1.00 24.21 C ATOM 3121 CE1 PHE B 99 5.073 36.945 16.461 1.00 30.15 C ATOM 3122 CE2 PHE B 99 4.662 38.607 14.858 1.00 27.86 C ATOM 3123 CZ PHE B 99 4.617 37.278 15.198 1.00 30.12 C ATOM 3124 HA PHE B 99 5.705 41.240 19.813 1.00 0.00 H ATOM 3125 OXT PHE B 99 2.865 41.397 18.806 1.00 39.63 O ATOM 3126 HB2 PHE B 99 6.326 41.119 17.394 1.00 0.00 H ATOM 3127 HB3 PHE B 99 6.942 39.849 18.477 1.00 0.00 H ATOM 3128 HD2 PHE B 99 5.190 40.586 15.437 1.00 0.00 H ATOM 3129 HE2 PHE B 99 4.310 38.925 13.876 1.00 0.00 H ATOM 3130 HZ PHE B 99 4.241 36.523 14.508 1.00 0.00 H ATOM 3131 HE1 PHE B 99 5.057 35.894 16.749 1.00 0.00 H ATOM 3132 HD1 PHE B 99 5.885 37.540 18.365 1.00 0.00 H ATOM 3133 H PHE B 99 3.513 39.240 19.489 1.00 0.00 H TER 3134 PHE B 99 HETATM 3135 O HOH 1 20.272 28.566 21.045 1.00 8.71 O HETATM 3136 O HOH 2 30.634 27.197 11.311 1.00 9.36 O HETATM 3137 O HOH 3 18.475 30.668 21.724 1.00 7.98 O HETATM 3138 O HOH 4 13.162 42.720 20.632 1.00 11.15 O HETATM 3139 O HOH 5 19.297 39.924 17.292 1.00 10.54 O HETATM 3140 O HOH 6 13.422 40.196 21.756 1.00 10.44 O HETATM 3141 O HOH 7 15.536 44.588 11.064 1.00 11.34 O HETATM 3142 O HOH 8 16.431 21.948 1.566 1.00 13.25 O HETATM 3143 O HOH 9 20.810 33.516 10.697 1.00 11.41 O HETATM 3144 O HOH 10 21.385 38.702 11.613 1.00 12.01 O HETATM 3145 O HOH 11 33.450 29.799 6.499 1.00 17.07 O HETATM 3146 O HOH 12 23.364 40.262 7.930 1.00 16.08 O HETATM 3147 O HOH 13 -1.438 27.307 20.176 1.00 16.22 O HETATM 3148 O HOH 14 22.250 15.299 19.608 1.00 18.17 O HETATM 3149 O HOH 15 25.036 18.945 5.866 1.00 18.69 O HETATM 3150 O HOH 16 14.315 38.604 0.591 1.00 17.58 O HETATM 3151 O HOH 17 6.934 41.818 22.693 1.00 22.97 O HETATM 3152 O HOH 18 25.423 31.061 17.259 1.00 25.82 O HETATM 3153 O HOH 19 15.604 20.630 3.734 1.00 13.86 O HETATM 3154 O HOH 20 1.587 28.132 18.400 1.00 18.29 O HETATM 3155 O HOH 21 12.966 45.493 11.874 1.00 18.41 O HETATM 3156 O HOH 22 19.967 17.467 6.803 1.00 23.04 O HETATM 3157 O HOH 23 24.188 32.212 -4.243 1.00 22.13 O HETATM 3158 O HOH 24 23.994 34.672 -4.538 1.00 19.12 O HETATM 3159 O HOH 25 -4.448 32.286 25.813 1.00 24.72 O HETATM 3160 O HOH 26 21.112 35.562 17.703 1.00 23.72 O HETATM 3161 O HOH 27 17.000 40.656 0.631 1.00 25.66 O HETATM 3162 O HOH 28 31.418 20.566 6.471 1.00 33.67 O HETATM 3163 O HOH 29 0.785 27.969 13.575 1.00 31.73 O HETATM 3164 O HOH 30 23.895 13.715 17.912 1.00 30.68 O HETATM 3165 O HOH 31 25.076 33.386 11.350 1.00 35.71 O HETATM 3166 O HOH 32 2.345 32.431 33.855 1.00 34.23 O HETATM 3167 O HOH 33 -3.664 34.168 21.435 1.00 34.06 O HETATM 3168 O HOH 34 27.302 16.095 13.079 1.00 29.00 O HETATM 3169 O HOH 35 28.042 35.956 4.062 1.00 19.51 O HETATM 3170 O HOH 36 28.059 25.668 2.445 1.00 24.02 O HETATM 3171 O HOH 37 23.284 36.958 12.930 1.00 30.77 O HETATM 3172 O HOH 38 5.394 32.153 -3.109 1.00 31.11 O HETATM 3173 O HOH 39 9.054 24.560 7.458 1.00 22.28 O HETATM 3174 O HOH 40 21.071 21.158 0.890 1.00 40.74 O HETATM 3175 O HOH 41 1.737 21.393 16.465 1.00 27.17 O HETATM 3176 O HOH 42 7.433 26.486 3.479 1.00 20.89 O HETATM 3177 O HOH 43 10.562 39.008 -0.691 1.00 24.20 O HETATM 3178 O HOH 44 0.509 29.036 16.176 1.00 23.82 O HETATM 3179 O HOH 45 22.735 34.473 12.321 1.00 36.44 O HETATM 3180 O HOH 46 30.177 33.930 -2.463 1.00 32.66 O HETATM 3181 O HOH 47 8.762 29.062 -1.260 1.00 18.86 O HETATM 3182 O HOH 48 24.843 33.189 15.499 1.00 38.01 O HETATM 3183 O HOH 49 4.643 37.649 5.917 1.00 32.48 O HETATM 3184 O HOH 50 16.592 38.505 -0.698 1.00 24.67 O HETATM 3185 O HOH 51 1.378 33.958 9.510 1.00 27.44 O HETATM 3186 O HOH 52 22.563 12.560 13.065 1.00 32.48 O HETATM 3187 O HOH 53 25.868 37.920 1.796 1.00 31.91 O HETATM 3188 O HOH 54 1.023 24.687 14.165 1.00 25.57 O HETATM 3189 O HOH 55 -4.047 34.120 23.843 1.00 33.66 O HETATM 3190 O HOH 56 -4.467 29.442 25.930 1.00 38.33 O HETATM 3191 O HOH 57 4.867 21.283 11.706 1.00 36.23 O HETATM 3192 O HOH 58 22.767 17.194 5.870 1.00 25.45 O HETATM 3193 O HOH 59 29.523 35.705 10.300 1.00 36.12 O HETATM 3194 O HOH 60 10.621 39.886 1.942 1.00 29.59 O HETATM 3195 O HOH 61 23.905 38.044 0.631 1.00 35.64 O HETATM 3196 O HOH 62 30.721 31.038 14.644 1.00 32.90 O HETATM 3197 O HOH 63 -1.964 31.521 19.145 1.00 39.27 O HETATM 3198 O HOH 64 23.088 25.322 1.201 1.00 22.42 O HETATM 3199 O HOH 65 7.206 23.016 8.568 1.00 47.35 O HETATM 3200 O HOH 66 1.777 31.018 14.966 1.00 31.56 O HETATM 3201 O HOH 67 15.697 38.293 -3.419 1.00 36.71 O HETATM 3202 O HOH 68 1.986 21.835 24.049 1.00 33.88 O HETATM 3203 O HOH 69 25.891 13.758 15.587 1.00 25.23 O HETATM 3204 O HOH 70 22.836 11.264 16.584 1.00 32.68 O HETATM 3205 O HOH 71 0.000 42.946 14.346 1.00 54.49 O HETATM 3206 O HOH 72 22.147 36.491 19.633 1.00 25.25 O HETATM 3207 O HOH 73 0.999 36.319 7.982 1.00 25.91 O HETATM 3208 O HOH 74 23.102 35.378 21.544 1.00 33.68 O HETATM 3209 O HOH 75 9.590 45.854 15.980 1.00 34.30 O HETATM 3210 O HOH 76 24.618 21.356 3.027 1.00 37.13 O HETATM 3211 O HOH 77 6.936 45.780 8.665 1.00 27.54 O HETATM 3212 O HOH 78 35.940 32.934 8.253 1.00 40.94 O HETATM 3213 O HOH 79 -4.147 30.772 20.267 1.00 24.71 O HETATM 3214 O HOH 80 29.734 24.363 18.829 1.00 27.93 O HETATM 3215 O HOH 81 32.087 31.188 -0.200 1.00 30.96 O HETATM 3216 O HOH 82 23.264 38.193 -6.398 1.00 28.26 O HETATM 3217 O HOH 83 5.129 39.816 30.687 1.00 26.14 O HETATM 3218 O HOH 84 27.055 30.462 -6.110 1.00 30.63 O HETATM 3219 O HOH 85 21.549 31.515 -4.625 1.00 40.21 O HETATM 3220 O HOH 86 25.874 37.619 10.609 1.00 27.79 O HETATM 3221 O HOH 87 9.449 44.706 11.844 1.00 29.37 O HETATM 3222 O HOH 88 27.524 17.202 9.099 1.00 29.76 O HETATM 3223 O HOH 89 0.144 32.950 14.146 1.00 38.95 O HETATM 3224 O HOH 90 2.634 29.953 2.879 1.00 39.34 O HETATM 3225 O HOH 91 23.222 24.698 -3.434 1.00 19.88 O HETATM 3226 O HOH 92 17.519 47.658 3.726 1.00 31.23 O HETATM 3227 O HOH 93 25.007 23.200 -1.834 1.00 32.72 O HETATM 3228 O HOH 94 -0.848 28.580 17.961 1.00 26.02 O HETATM 3229 O HOH 95 29.715 36.668 2.997 1.00 25.29 O HETATM 3230 O HOH 96 19.815 44.238 1.378 1.00 40.23 O HETATM 3231 O HOH 97 27.185 40.370 -0.948 1.00 36.18 O HETATM 3232 O HOH 98 18.497 35.301 -5.769 1.00 30.29 O HETATM 3233 O HOH 99 1.395 39.244 12.722 1.00 22.99 O HETATM 3234 O HOH 100 0.000 42.946 17.172 1.00 67.65 O HETATM 3235 O HOH 101 -0.138 21.109 23.604 1.00 25.80 O HETATM 3236 O HOH 102 22.099 42.274 8.703 1.00 21.62 O HETATM 3237 O HOH 103 8.869 20.954 7.716 1.00 26.71 O HETATM 3238 O HOH 104 15.116 34.241 -4.356 1.00 25.48 O HETATM 3239 O HOH 105 27.701 34.364 -4.764 1.00 30.79 O HETATM 3240 O HOH 106 11.045 34.378 -6.619 1.00 30.14 O HETATM 3241 O HOH 107 23.338 39.611 12.324 1.00 36.40 O HETATM 3242 O HOH 108 25.915 24.277 1.589 1.00 24.04 O HETATM 3243 O HOH 109 13.351 27.005 0.596 1.00 25.92 O HETATM 3244 O HOH 110 7.465 23.864 18.439 1.00 7.89 O HETATM 3245 O HOH 111 8.820 21.877 16.973 1.00 9.28 O HETATM 3246 O HOH 112 4.080 16.914 29.660 1.00 9.29 O HETATM 3247 O HOH 113 18.089 20.772 16.980 1.00 8.87 O HETATM 3248 O HOH 114 9.037 16.209 27.185 1.00 10.38 O HETATM 3249 O HOH 115 3.811 13.478 32.087 1.00 11.68 O HETATM 3250 O HOH 116 2.339 19.112 29.677 1.00 11.94 O HETATM 3251 O HOH 117 12.806 27.041 44.381 1.00 18.91 O HETATM 3252 O HOH 118 8.989 21.582 14.052 1.00 14.58 O HETATM 3253 O HOH 119 11.976 16.367 40.395 1.00 16.15 O HETATM 3254 O HOH 120 18.447 20.219 47.190 1.00 19.12 O HETATM 3255 O HOH 121 25.908 25.186 16.307 1.00 17.03 O HETATM 3256 O HOH 122 0.872 28.875 25.566 1.00 15.15 O HETATM 3257 O HOH 123 17.828 39.340 25.878 1.00 14.28 O HETATM 3258 O HOH 124 16.885 35.991 26.490 1.00 18.49 O HETATM 3259 O HOH 125 19.688 37.769 18.906 1.00 18.16 O HETATM 3260 O HOH 126 15.744 31.630 36.194 1.00 21.23 O HETATM 3261 O HOH 127 24.918 29.132 15.296 1.00 23.41 O HETATM 3262 O HOH 128 9.313 13.885 40.036 1.00 17.40 O HETATM 3263 O HOH 129 15.170 15.827 12.306 1.00 20.40 O HETATM 3264 O HOH 130 -1.269 29.745 27.092 1.00 23.20 O HETATM 3265 O HOH 131 15.917 5.211 34.924 1.00 17.98 O HETATM 3266 O HOH 132 11.459 20.668 41.402 1.00 21.69 O HETATM 3267 O HOH 133 14.484 5.301 37.090 1.00 20.48 O HETATM 3268 O HOH 134 19.098 16.967 9.498 1.00 24.54 O HETATM 3269 O HOH 135 21.717 34.177 28.017 1.00 21.46 O HETATM 3270 O HOH 136 6.661 15.792 25.848 1.00 26.18 O HETATM 3271 O HOH 137 6.781 14.782 20.434 1.00 35.99 O HETATM 3272 O HOH 138 24.011 15.592 11.002 1.00 25.75 O HETATM 3273 O HOH 139 10.674 25.075 45.427 1.00 16.33 O HETATM 3274 O HOH 140 -1.131 28.043 29.346 1.00 26.12 O HETATM 3275 O HOH 141 22.944 23.171 33.934 1.00 22.16 O HETATM 3276 O HOH 142 12.143 13.763 40.010 1.00 24.10 O HETATM 3277 O HOH 143 9.317 7.752 19.194 1.00 22.28 O HETATM 3278 O HOH 144 16.736 15.478 9.863 1.00 19.42 O HETATM 3279 O HOH 145 24.653 16.164 26.635 1.00 27.72 O HETATM 3280 O HOH 146 6.622 21.557 40.522 1.00 31.57 O HETATM 3281 O HOH 147 2.699 15.101 28.232 1.00 19.56 O HETATM 3282 O HOH 148 7.737 -1.086 29.392 1.00 26.42 O HETATM 3283 O HOH 149 9.301 12.495 18.557 1.00 32.59 O HETATM 3284 O HOH 150 0.578 21.200 26.478 1.00 27.83 O HETATM 3285 O HOH 151 4.171 19.226 22.952 1.00 27.07 O HETATM 3286 O HOH 152 22.900 9.498 19.025 1.00 37.41 O HETATM 3287 O HOH 153 20.714 8.353 19.715 1.00 29.54 O HETATM 3288 O HOH 154 23.745 13.828 28.181 1.00 30.63 O HETATM 3289 O HOH 155 7.237 4.321 36.816 1.00 31.33 O HETATM 3290 O HOH 156 19.691 41.308 26.604 1.00 30.27 O HETATM 3291 O HOH 157 22.015 23.318 29.063 1.00 25.50 O HETATM 3292 O HOH 158 13.756 44.739 23.034 1.00 27.18 O HETATM 3293 O HOH 159 6.370 43.925 17.777 1.00 45.21 O HETATM 3294 O HOH 160 7.793 11.602 39.647 1.00 41.42 O HETATM 3295 O HOH 161 2.119 20.100 21.367 1.00 34.10 O HETATM 3296 O HOH 162 15.835 34.195 30.284 1.00 33.99 O HETATM 3297 O HOH 163 21.356 12.891 38.294 1.00 32.86 O HETATM 3298 O HOH 164 21.863 26.933 22.633 1.00 15.81 O HETATM 3299 O HOH 165 23.292 34.389 24.459 1.00 14.64 O HETATM 3300 O HOH 166 17.457 36.062 29.103 1.00 23.32 O HETATM 3301 O HOH 167 12.934 19.252 42.975 1.00 25.18 O HETATM 3302 O HOH 168 14.987 39.592 29.014 1.00 28.39 O HETATM 3303 O HOH 169 8.257 1.391 30.633 1.00 26.11 O HETATM 3304 O HOH 170 21.524 22.382 43.013 1.00 24.43 O HETATM 3305 O HOH 171 14.940 5.412 23.417 1.00 24.25 O HETATM 3306 O HOH 172 1.576 34.707 28.659 1.00 20.90 O HETATM 3307 O HOH 173 5.979 12.423 41.947 1.00 25.57 O HETATM 3308 O HOH 174 4.377 27.757 40.626 1.00 36.20 O HETATM 3309 O HOH 175 7.906 7.613 33.950 1.00 28.26 O HETATM 3310 O HOH 176 19.500 10.895 12.009 1.00 23.06 O HETATM 3311 O HOH 177 8.626 9.014 36.578 1.00 38.66 O HETATM 3312 O HOH 178 12.838 4.647 40.617 1.00 29.91 O HETATM 3313 O HOH 179 13.892 4.973 20.683 1.00 28.04 O HETATM 3314 O HOH 180 0.935 40.746 22.470 1.00 39.33 O HETATM 3315 O HOH 181 26.815 21.998 24.126 1.00 29.94 O HETATM 3316 O HOH 182 4.408 20.782 41.813 1.00 33.77 O HETATM 3317 O HOH 183 10.634 14.430 12.912 1.00 23.48 O HETATM 3318 O HOH 184 7.032 13.080 24.674 1.00 44.91 O HETATM 3319 O HOH 185 17.305 1.585 24.704 1.00 23.83 O HETATM 3320 O HOH 186 16.120 9.473 40.746 1.00 32.02 O HETATM 3321 O HOH 187 17.580 7.488 35.839 1.00 36.29 O HETATM 3322 O HOH 188 6.798 4.900 32.184 1.00 47.19 O HETATM 3323 O HOH 189 14.205 21.459 46.562 1.00 24.45 O HETATM 3324 O HOH 190 7.399 7.000 31.003 1.00 30.99 O HETATM 3325 O HOH 191 3.058 28.943 36.391 1.00 37.40 O HETATM 3326 O HOH 192 21.175 16.968 33.695 1.00 40.06 O HETATM 3327 O HOH 193 3.274 8.265 28.424 1.00 33.15 O HETATM 3328 O HOH 194 6.827 32.277 40.814 1.00 29.41 O HETATM 3329 O HOH 195 -1.488 31.960 28.107 1.00 33.11 O HETATM 3330 O HOH 196 7.290 22.427 12.160 1.00 31.87 O HETATM 3331 O HOH 197 14.500 33.645 34.829 1.00 36.67 O HETATM 3332 O HOH 198 22.008 26.412 37.715 1.00 35.58 O HETATM 3333 O HOH 199 20.983 14.236 8.993 1.00 41.74 O HETATM 3334 O HOH 200 19.693 31.039 34.168 1.00 32.81 O HETATM 3335 O HOH 201 -1.142 9.580 35.282 1.00 23.65 O HETATM 3336 O HOH 202 3.654 12.837 27.516 1.00 22.32 O HETATM 3337 O HOH 203 9.885 0.973 20.774 1.00 28.54 O HETATM 3338 O HOH 204 12.887 16.027 11.872 1.00 36.76 O HETATM 3339 O HOH 205 14.140 2.233 20.530 1.00 41.41 O HETATM 3340 O HOH 206 22.025 40.278 20.305 1.00 40.02 O HETATM 3341 O HOH 207 4.962 15.938 21.944 1.00 31.53 O HETATM 3342 O HOH 208 9.338 5.210 41.288 1.00 32.44 O HETATM 3343 O HOH 209 21.556 12.320 10.531 1.00 32.79 O HETATM 3344 O HOH 210 20.816 8.361 22.463 1.00 36.51 O HETATM 3345 O HOH 211 18.520 4.626 32.932 1.00 37.22 O HETATM 3346 O HOH 212 7.316 4.369 23.660 1.00 25.81 O HETATM 3347 O HOH 213 2.625 44.353 16.458 1.00 28.79 O HETATM 3348 O HOH 214 7.183 7.617 23.858 1.00 35.77 O HETATM 3349 O HOH 215 12.306 15.505 9.206 1.00 28.66 O HETATM 3350 O HOH 216 19.493 3.797 27.928 1.00 32.75 O HETATM 3351 O HOH 217 25.544 25.244 22.795 1.00 33.82 O HETATM 3352 O HOH 218 18.913 16.473 45.397 1.00 25.33 O HETATM 3353 O HOH 219 24.214 33.990 25.531 1.00 22.49 O HETATM 3354 O HOH 220 11.512 4.795 19.825 1.00 24.63 O HETATM 3355 O HOH 221 5.762 -2.183 34.822 1.00 25.01 O HETATM 3356 O HOH 222 11.809 43.003 29.075 1.00 32.14 O HETATM 3357 O HOH 223 2.745 26.643 36.503 1.00 23.27 O HETATM 3358 O HOH 224 9.211 21.778 42.038 1.00 24.80 O HETATM 3359 O HOH 225 2.610 17.468 25.140 1.00 27.46 O HETATM 3360 O HOH 226 19.130 34.421 30.417 1.00 19.17 O HETATM 3361 O HOH 227 5.954 2.879 31.479 1.00 32.09 O HETATM 3362 O HOH 228 9.599 7.328 35.448 1.00 28.36 O HETATM 3363 O HOH 229 18.001 34.625 30.803 1.00 32.25 O HETATM 3364 O HOH 230 4.298 15.922 26.864 1.00 24.65 O HETATM 3365 O HOH 231 22.238 44.009 20.167 1.00 32.55 O HETATM 3366 O HOH 232 10.672 13.563 15.141 1.00 33.30 O HETATM 3367 O HOH 233 17.461 38.543 28.590 1.00 23.46 O HETATM 3368 O HOH 234 18.512 16.133 39.740 1.00 28.72 O HETATM 3369 N4 UNN A 235 23.513 25.263 18.701 1.00 -0.26 N HETATM 3370 C5 UNN A 235 22.957 26.581 18.672 1.00 0.16 C HETATM 3371 C6 UNN A 235 21.560 26.653 18.006 1.00 0.21 C HETATM 3372 O7 UNN A 235 20.908 27.695 18.104 1.00 -0.39 O HETATM 3373 N11 UNN A 235 21.108 25.594 17.357 1.00 -0.26 N HETATM 3374 C12 UNN A 235 19.823 25.580 16.652 1.00 0.13 C HETATM 3375 C13 UNN A 235 18.978 24.468 17.195 1.00 0.20 C HETATM 3376 O14 UNN A 235 19.037 23.332 16.801 1.00 -0.39 O HETATM 3377 N19 UNN A 235 18.191 24.803 18.278 1.00 -0.28 N HETATM 3378 C20 UNN A 235 17.430 23.835 19.062 1.00 0.08 C HETATM 3379 C21 UNN A 235 15.973 23.817 18.757 1.00 -0.01 C HETATM 3380 N26 UNN A 235 15.678 23.643 17.363 1.00 0.25 N HETATM 3381 C27 UNN A 235 14.468 22.935 17.058 1.00 0.07 C HETATM 3382 C28 UNN A 235 14.468 21.530 17.648 1.00 0.23 C HETATM 3383 N36 UNN A 235 13.295 21.054 18.054 1.00 -0.26 N HETATM 3384 C37 UNN A 235 13.125 19.653 18.451 1.00 0.13 C HETATM 3385 C38 UNN A 235 11.704 19.239 18.073 1.00 0.20 C HETATM 3386 O39 UNN A 235 10.721 19.921 18.356 1.00 -0.39 O HETATM 3387 N45 UNN A 235 11.620 18.040 17.535 1.00 -0.26 N HETATM 3388 C46 UNN A 235 10.354 17.477 17.134 1.00 0.13 C HETATM 3389 C47 UNN A 235 10.245 16.081 17.745 1.00 0.20 C HETATM 3390 O48 UNN A 235 11.195 15.303 17.768 1.00 -0.39 O HETATM 3391 N56 UNN A 235 8.985 15.722 18.285 1.00 -0.30 N HETATM 3392 H29 UNN A 235 8.857 14.820 18.698 1.00 0.18 H HETATM 3393 H30 UNN A 235 8.224 16.370 18.253 1.00 0.18 H HETATM 3394 C49 UNN A 235 10.214 17.419 15.626 1.00 -0.01 C HETATM 3395 C50 UNN A 235 10.652 18.675 14.890 1.00 -0.02 C HETATM 3396 C51 UNN A 235 10.678 18.463 13.371 1.00 0.06 C HETATM 3397 N52 UNN A 235 9.355 18.053 12.863 1.00 -0.27 N HETATM 3398 C53 UNN A 235 9.081 17.876 11.592 1.00 0.29 C HETATM 3399 N54 UNN A 235 10.098 18.077 10.749 1.00 -0.28 N HETATM 3400 H38 UNN A 235 9.958 17.957 9.736 1.00 0.26 H HETATM 3401 H39 UNN A 235 11.022 18.352 11.113 1.00 0.26 H HETATM 3402 N55 UNN A 235 7.884 17.506 11.151 1.00 -0.28 N HETATM 3403 H40 UNN A 235 7.113 17.356 11.818 1.00 0.26 H HETATM 3404 H41 UNN A 235 7.726 17.369 10.142 1.00 0.26 H HETATM 3405 H37 UNN A 235 8.601 17.896 13.547 1.00 0.26 H HETATM 3406 H35 UNN A 235 11.412 17.680 13.131 1.00 0.07 H HETATM 3407 H36 UNN A 235 10.973 19.404 12.883 1.00 0.07 H HETATM 3408 H33 UNN A 235 11.661 18.953 15.228 1.00 0.03 H HETATM 3409 H34 UNN A 235 9.950 19.489 15.124 1.00 0.03 H HETATM 3410 H31 UNN A 235 9.156 17.236 15.389 1.00 0.03 H HETATM 3411 H32 UNN A 235 10.822 16.579 15.259 1.00 0.03 H HETATM 3412 H28 UNN A 235 9.544 18.106 17.531 1.00 0.08 H HETATM 3413 H27 UNN A 235 12.455 17.506 17.401 1.00 0.19 H HETATM 3414 C40 UNN A 235 13.457 19.451 19.907 1.00 0.00 C HETATM 3415 C41 UNN A 235 13.225 18.070 20.426 1.00 0.04 C HETATM 3416 C42 UNN A 235 11.832 17.765 20.878 1.00 0.17 C HETATM 3417 O43 UNN A 235 11.101 18.671 21.259 1.00 -0.40 O HETATM 3418 N44 UNN A 235 11.379 16.542 20.819 1.00 -0.30 N HETATM 3419 H25 UNN A 235 10.448 16.339 21.121 1.00 0.18 H HETATM 3420 H26 UNN A 235 11.963 15.809 20.471 1.00 0.18 H HETATM 3421 H23 UNN A 235 13.898 17.915 21.282 1.00 0.05 H HETATM 3422 H24 UNN A 235 13.481 17.362 19.624 1.00 0.05 H HETATM 3423 H21 UNN A 235 12.839 20.144 20.496 1.00 0.03 H HETATM 3424 H22 UNN A 235 14.520 19.695 20.051 1.00 0.03 H HETATM 3425 H20 UNN A 235 13.825 19.037 17.868 1.00 0.08 H HETATM 3426 H19 UNN A 235 12.507 21.669 18.090 1.00 0.19 H HETATM 3427 O29 UNN A 235 15.476 20.812 17.667 1.00 -0.39 O HETATM 3428 C30 UNN A 235 14.102 22.911 15.561 1.00 0.01 C HETATM 3429 C31 UNN A 235 15.053 22.101 14.765 1.00 -0.05 C HETATM 3430 C34 UNN A 235 14.535 21.587 13.444 1.00 -0.06 C HETATM 3431 C35 UNN A 235 14.064 20.150 13.634 1.00 -0.07 C HETATM 3432 H67 UNN A 235 13.683 19.760 12.679 1.00 0.02 H HETATM 3433 H68 UNN A 235 13.263 20.123 14.387 1.00 0.02 H HETATM 3434 H69 UNN A 235 14.907 19.530 13.973 1.00 0.02 H HETATM 3435 H65 UNN A 235 15.338 21.618 12.693 1.00 0.03 H HETATM 3436 H66 UNN A 235 13.694 22.211 13.107 1.00 0.03 H HETATM 3437 H63 UNN A 235 15.347 21.233 15.373 1.00 0.03 H HETATM 3438 H64 UNN A 235 15.937 22.723 14.562 1.00 0.03 H HETATM 3439 H61 UNN A 235 14.108 23.942 15.178 1.00 0.03 H HETATM 3440 H62 UNN A 235 13.094 22.485 15.450 1.00 0.03 H HETATM 3441 H60 UNN A 235 13.660 23.487 17.560 1.00 0.11 H HETATM 3442 H58 UNN A 235 16.444 23.137 16.947 1.00 0.20 H HETATM 3443 H59 UNN A 235 15.613 24.558 16.945 1.00 0.20 H HETATM 3444 H47 UNN A 235 15.537 24.771 19.088 1.00 0.08 H HETATM 3445 H48 UNN A 235 15.511 22.989 19.316 1.00 0.08 H HETATM 3446 C22 UNN A 235 17.736 24.047 20.558 1.00 -0.02 C HETATM 3447 C23 UNN A 235 19.191 24.078 20.940 1.00 -0.05 C HETATM 3448 C24 UNN A 235 19.977 22.893 20.527 1.00 -0.06 C HETATM 3449 C25 UNN A 235 19.416 21.572 21.066 1.00 -0.07 C HETATM 3450 H55 UNN A 235 20.046 20.738 20.722 1.00 0.02 H HETATM 3451 H56 UNN A 235 18.389 21.432 20.697 1.00 0.02 H HETATM 3452 H57 UNN A 235 19.410 21.598 22.166 1.00 0.02 H HETATM 3453 H53 UNN A 235 21.006 23.011 20.897 1.00 0.03 H HETATM 3454 H54 UNN A 235 19.985 22.846 19.428 1.00 0.03 H HETATM 3455 H51 UNN A 235 19.254 24.163 22.035 1.00 0.03 H HETATM 3456 H52 UNN A 235 19.646 24.966 20.477 1.00 0.03 H HETATM 3457 H49 UNN A 235 17.259 23.229 21.117 1.00 0.03 H HETATM 3458 H50 UNN A 235 17.289 25.006 20.859 1.00 0.03 H HETATM 3459 H46 UNN A 235 17.809 22.838 18.794 1.00 0.06 H HETATM 3460 H45 UNN A 235 18.139 25.766 18.541 1.00 0.19 H HETATM 3461 C15 UNN A 235 20.009 25.423 15.121 1.00 -0.00 C HETATM 3462 C16 UNN A 235 21.047 26.366 14.532 1.00 -0.05 C HETATM 3463 C18 UNN A 235 20.700 27.818 14.618 1.00 -0.06 C HETATM 3464 H16 UNN A 235 21.507 28.415 14.168 1.00 0.02 H HETATM 3465 H17 UNN A 235 20.576 28.104 15.673 1.00 0.02 H HETATM 3466 H18 UNN A 235 19.761 28.003 14.076 1.00 0.02 H HETATM 3467 H11 UNN A 235 21.179 26.109 13.471 1.00 0.03 H HETATM 3468 H12 UNN A 235 21.994 26.209 15.068 1.00 0.03 H HETATM 3469 C17 UNN A 235 18.681 25.544 14.435 1.00 -0.06 C HETATM 3470 H13 UNN A 235 17.966 24.845 14.894 1.00 0.02 H HETATM 3471 H14 UNN A 235 18.796 25.302 13.368 1.00 0.02 H HETATM 3472 H15 UNN A 235 18.307 26.573 14.540 1.00 0.02 H HETATM 3473 H10 UNN A 235 20.377 24.402 14.944 1.00 0.03 H HETATM 3474 H9 UNN A 235 19.312 26.536 16.840 1.00 0.08 H HETATM 3475 H8 UNN A 235 21.668 24.765 17.346 1.00 0.19 H HETATM 3476 C8 UNN A 235 23.868 27.606 17.980 1.00 0.09 C HETATM 3477 O9 UNN A 235 24.035 27.131 16.651 1.00 -0.39 O HETATM 3478 H4 UNN A 235 24.594 27.730 16.170 1.00 0.21 H HETATM 3479 C10 UNN A 235 25.255 27.675 18.678 1.00 -0.03 C HETATM 3480 H5 UNN A 235 25.887 28.415 18.165 1.00 0.03 H HETATM 3481 H6 UNN A 235 25.737 26.687 18.634 1.00 0.03 H HETATM 3482 H7 UNN A 235 25.122 27.972 19.729 1.00 0.03 H HETATM 3483 H3 UNN A 235 23.400 28.602 17.984 1.00 0.06 H HETATM 3484 H2 UNN A 235 22.840 26.894 19.720 1.00 0.08 H HETATM 3485 C1 UNN A 235 23.650 24.506 19.910 1.00 0.18 C HETATM 3486 O2 UNN A 235 23.250 25.039 20.946 1.00 -0.40 O HETATM 3487 C3 UNN A 235 24.267 23.176 19.750 1.00 0.03 C HETATM 3488 H42 UNN A 235 24.326 22.679 20.730 1.00 0.05 H HETATM 3489 H43 UNN A 235 25.279 23.289 19.334 1.00 0.05 H HETATM 3490 H44 UNN A 235 23.656 22.568 19.067 1.00 0.05 H HETATM 3491 H1 UNN A 235 23.819 24.853 17.842 1.00 0.19 H CONECT 3369 3370 3485 3491 CONECT 3370 3369 3371 3476 3484 CONECT 3371 3370 3372 3373 CONECT 3372 3371 CONECT 3373 3371 3374 3475 CONECT 3374 3373 3375 3461 3474 CONECT 3375 3374 3376 3377 CONECT 3376 3375 CONECT 3377 3375 3378 3460 CONECT 3378 3377 3379 3446 3459 CONECT 3379 3378 3380 3444 3445 CONECT 3380 3379 3381 3442 3443 CONECT 3381 3380 3382 3428 3441 CONECT 3382 3381 3383 3427 CONECT 3383 3382 3384 3426 CONECT 3384 3383 3385 3414 3425 CONECT 3385 3384 3386 3387 CONECT 3386 3385 CONECT 3387 3385 3388 3413 CONECT 3388 3387 3389 3394 3412 CONECT 3389 3388 3390 3391 CONECT 3390 3389 CONECT 3391 3389 3392 3393 CONECT 3392 3391 CONECT 3393 3391 CONECT 3394 3388 3395 3410 3411 CONECT 3395 3394 3396 3408 3409 CONECT 3396 3395 3397 3406 3407 CONECT 3397 3396 3398 3405 CONECT 3398 3397 3399 3402 CONECT 3399 3398 3400 3401 CONECT 3400 3399 CONECT 3401 3399 CONECT 3402 3398 3403 3404 CONECT 3403 3402 CONECT 3404 3402 CONECT 3405 3397 CONECT 3406 3396 CONECT 3407 3396 CONECT 3408 3395 CONECT 3409 3395 CONECT 3410 3394 CONECT 3411 3394 CONECT 3412 3388 CONECT 3413 3387 CONECT 3414 3384 3415 3423 3424 CONECT 3415 3414 3416 3421 3422 CONECT 3416 3415 3417 3418 CONECT 3417 3416 CONECT 3418 3416 3419 3420 CONECT 3419 3418 CONECT 3420 3418 CONECT 3421 3415 CONECT 3422 3415 CONECT 3423 3414 CONECT 3424 3414 CONECT 3425 3384 CONECT 3426 3383 CONECT 3427 3382 CONECT 3428 3381 3429 3439 3440 CONECT 3429 3428 3430 3437 3438 CONECT 3430 3429 3431 3435 3436 CONECT 3431 3430 3432 3433 3434 CONECT 3432 3431 CONECT 3433 3431 CONECT 3434 3431 CONECT 3435 3430 CONECT 3436 3430 CONECT 3437 3429 CONECT 3438 3429 CONECT 3439 3428 CONECT 3440 3428 CONECT 3441 3381 CONECT 3442 3380 CONECT 3443 3380 CONECT 3444 3379 CONECT 3445 3379 CONECT 3446 3378 3447 3457 3458 CONECT 3447 3446 3448 3455 3456 CONECT 3448 3447 3449 3453 3454 CONECT 3449 3448 3450 3451 3452 CONECT 3450 3449 CONECT 3451 3449 CONECT 3452 3449 CONECT 3453 3448 CONECT 3454 3448 CONECT 3455 3447 CONECT 3456 3447 CONECT 3457 3446 CONECT 3458 3446 CONECT 3459 3378 CONECT 3460 3377 CONECT 3461 3374 3462 3469 3473 CONECT 3462 3461 3463 3467 3468 CONECT 3463 3462 3464 3465 3466 CONECT 3464 3463 CONECT 3465 3463 CONECT 3466 3463 CONECT 3467 3462 CONECT 3468 3462 CONECT 3469 3461 3470 3471 3472 CONECT 3470 3469 CONECT 3471 3469 CONECT 3472 3469 CONECT 3473 3461 CONECT 3474 3374 CONECT 3475 3373 CONECT 3476 3370 3477 3479 3483 CONECT 3477 3476 3478 CONECT 3478 3477 CONECT 3479 3476 3480 3481 3482 CONECT 3480 3479 CONECT 3481 3479 CONECT 3482 3479 CONECT 3483 3476 CONECT 3484 3370 CONECT 3485 3369 3486 3487 CONECT 3486 3485 CONECT 3487 3485 3488 3489 3490 CONECT 3488 3487 CONECT 3489 3487 CONECT 3490 3487 CONECT 3491 3369 MASTER 0 0 0 0 0 0 0 0 3489 2 123 16 END
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Related entries of code: 3bva
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a94
RCSB PDB
PDBbind
99aa, >1A94_1|Chains... at 90%
1aid
RCSB PDB
PDBbind
99aa, >1AID_1|Chains... at 91%
1b6j
RCSB PDB
PDBbind
99aa, >1B6J_1|Chains... at 93%
1b6k
RCSB PDB
PDBbind
99aa, >1B6K_1|Chains... at 95%
1b6l
RCSB PDB
PDBbind
99aa, >1B6L_1|Chains... at 95%
1b6m
RCSB PDB
PDBbind
99aa, >1B6M_1|Chains... at 95%
1b6p
RCSB PDB
PDBbind
99aa, >1B6P_1|Chains... at 95%
1cpi
RCSB PDB
PDBbind
99aa, >1CPI_1|Chains... at 93%
1d4k
RCSB PDB
PDBbind
99aa, >1D4K_1|Chains... at 95%
1d4l
RCSB PDB
PDBbind
99aa, >1D4L_1|Chains... at 95%
1kzk
RCSB PDB
PDBbind
99aa, >1KZK_1|Chains... at 92%
1mtr
RCSB PDB
PDBbind
99aa, >1MTR_1|Chains... at 95%
1sdt
RCSB PDB
PDBbind
99aa, >1SDT_1|Chains... at 91%
1sdu
RCSB PDB
PDBbind
99aa, >1SDU_1|Chains... at 90%
1sdv
RCSB PDB
PDBbind
99aa, >1SDV_1|Chains... at 90%
1z1h
RCSB PDB
PDBbind
99aa, >1Z1H_1|Chains... at 95%
1z1r
RCSB PDB
PDBbind
99aa, >1Z1R_1|Chains... at 95%
2aoc
RCSB PDB
PDBbind
99aa, >2AOC_1|Chains... at 90%
2aod
RCSB PDB
PDBbind
99aa, >2AOD_1|Chains... at 91%
2aoe
RCSB PDB
PDBbind
99aa, >2AOE_1|Chains... at 90%
2aog
RCSB PDB
PDBbind
99aa, >2AOG_1|Chains... at 90%
2aoh
RCSB PDB
PDBbind
99aa, >2AOH_1|Chains... at 90%
2avm
RCSB PDB
PDBbind
99aa, >2AVM_1|Chains... at 90%
2avo
RCSB PDB
PDBbind
99aa, >2AVO_1|Chains... at 90%
2avq
RCSB PDB
PDBbind
99aa, >2AVQ_1|Chains... at 90%
2avs
RCSB PDB
PDBbind
99aa, >2AVS_1|Chains... at 90%
2avv
RCSB PDB
PDBbind
99aa, >2AVV_1|Chains... at 90%
2f3k
RCSB PDB
PDBbind
99aa, >2F3K_1|Chains... at 91%
2f80
RCSB PDB
PDBbind
99aa, >2F80_1|Chains... at 90%
2f81
RCSB PDB
PDBbind
99aa, >2F81_1|Chains... at 90%
2f8g
RCSB PDB
PDBbind
99aa, >2F8G_1|Chains... at 90%
2fgu
RCSB PDB
PDBbind
99aa, >2FGU_1|Chains... at 91%
2fgv
RCSB PDB
PDBbind
99aa, >2FGV_1|Chains... at 91%
2hb3
RCSB PDB
PDBbind
99aa, >2HB3_1|Chains... at 91%
2hs1
RCSB PDB
PDBbind
99aa, >2HS1_1|Chains... at 90%
2hs2
RCSB PDB
PDBbind
99aa, >2HS2_1|Chains... at 92%
2i0a
RCSB PDB
PDBbind
99aa, >2I0A_1|Chains... at 91%
2i0d
RCSB PDB
PDBbind
99aa, >2I0D_1|Chains... at 91%
2idw
RCSB PDB
PDBbind
99aa, >2IDW_1|Chains... at 90%
2ien
RCSB PDB
PDBbind
99aa, >2IEN_1|Chains... at 91%
2ieo
RCSB PDB
PDBbind
99aa, >2IEO_1|Chains... at 90%
2nmy
RCSB PDB
PDBbind
99aa, >2NMY_1|Chains... at 90%
2nmz
RCSB PDB
PDBbind
99aa, >2NMZ_1|Chains... at 90%
2nnk
RCSB PDB
PDBbind
99aa, >2NNK_1|Chains... at 90%
2nnp
RCSB PDB
PDBbind
99aa, >2NNP_1|Chains... at 90%
2nxd
RCSB PDB
PDBbind
99aa, >2NXD_1|Chains... at 90%
2nxl
RCSB PDB
PDBbind
99aa, >2NXL_1|Chains... at 90%
2nxm
RCSB PDB
PDBbind
99aa, >2NXM_1|Chains... at 90%
2psu
RCSB PDB
PDBbind
99aa, >2PSU_1|Chains... at 91%
2psv
RCSB PDB
PDBbind
99aa, >2PSV_1|Chains... at 91%
2q54
RCSB PDB
PDBbind
99aa, >2Q54_1|Chains... at 91%
2q55
RCSB PDB
PDBbind
99aa, >2Q55_1|Chains... at 91%
2q5k
RCSB PDB
PDBbind
99aa, >2Q5K_1|Chains... at 91%
2qci
RCSB PDB
PDBbind
99aa, >2QCI_1|Chains... at 90%
2qd6
RCSB PDB
PDBbind
99aa, >2QD6_1|Chains... at 90%
2qd7
RCSB PDB
PDBbind
99aa, >2QD7_1|Chains... at 90%
2qd8
RCSB PDB
PDBbind
99aa, >2QD8_1|Chains... at 90%
2qhy
RCSB PDB
PDBbind
99aa, >2QHY_1|Chains... at 91%
2qhz
RCSB PDB
PDBbind
99aa, >2QHZ_1|Chains... at 91%
2qi0
RCSB PDB
PDBbind
99aa, >2QI0_1|Chains... at 91%
2qi1
RCSB PDB
PDBbind
99aa, >2QI1_1|Chains... at 91%
2qi3
RCSB PDB
PDBbind
99aa, >2QI3_1|Chains... at 91%
2qi4
RCSB PDB
PDBbind
99aa, >2QI4_1|Chains... at 91%
2qi5
RCSB PDB
PDBbind
99aa, >2QI5_1|Chains... at 91%
2qi6
RCSB PDB
PDBbind
99aa, >2QI6_1|Chains... at 91%
2qi7
RCSB PDB
PDBbind
99aa, >2QI7_1|Chains... at 91%
2z4o
RCSB PDB
PDBbind
99aa, >2Z4O_1|Chains... at 91%
3a2o
RCSB PDB
PDBbind
99aa, >3A2O_1|Chains... at 91%
3aid
RCSB PDB
PDBbind
99aa, >3AID_1|Chains... at 92%
3bvb
RCSB PDB
PDBbind
99aa, >3BVB_1|Chains... at 90%
3bxs
RCSB PDB
PDBbind
99aa, >3BXS_1|Chains... at 95%
3cyw
RCSB PDB
PDBbind
99aa, >3CYW_1|Chains... at 90%
3cyx
RCSB PDB
PDBbind
99aa, >3CYX_1|Chains... at 90%
3d1x
RCSB PDB
PDBbind
99aa, >3D1X_1|Chains... at 90%
3d1y
RCSB PDB
PDBbind
99aa, >3D1Y_1|Chains... at 90%
3d1z
RCSB PDB
PDBbind
99aa, >3D1Z_1|Chains... at 90%
3d20
RCSB PDB
PDBbind
99aa, >3D20_1|Chains... at 90%
3dcr
RCSB PDB
PDBbind
99aa, >3DCR_1|Chains... at 98%
3djk
RCSB PDB
PDBbind
99aa, >3DJK_1|Chains... at 91%
3dk1
RCSB PDB
PDBbind
99aa, >3DK1_1|Chains... at 91%
3ekv
RCSB PDB
PDBbind
99aa, >3EKV_1|Chains... at 91%
3ekx
RCSB PDB
PDBbind
99aa, >3EKX_1|Chains... at 91%
3eky
RCSB PDB
PDBbind
99aa, >3EKY_1|Chains... at 91%
3el1
RCSB PDB
PDBbind
99aa, >3EL1_1|Chains... at 92%
3el9
RCSB PDB
PDBbind
99aa, >3EL9_1|Chains... at 90%
3fsm
RCSB PDB
PDBbind
203aa, >3FSM_1|Chain... *
3gi4
RCSB PDB
PDBbind
99aa, >3GI4_1|Chains... at 91%
3gi5
RCSB PDB
PDBbind
99aa, >3GI5_1|Chains... at 91%
3gi6
RCSB PDB
PDBbind
99aa, >3GI6_1|Chains... at 91%
3h5b
RCSB PDB
PDBbind
99aa, >3H5B_1|Chains... at 91%
3hau
RCSB PDB
PDBbind
99aa, >3HAU_1|Chains... at 98%
3haw
RCSB PDB
PDBbind
99aa, >3HAW_1|Chains... at 100%
3hbo
RCSB PDB
PDBbind
99aa, >3HBO_1|Chains... at 100%
3hdk
RCSB PDB
PDBbind
99aa, >3HDK_1|Chains... at 100%
3hlo
RCSB PDB
PDBbind
203aa, >3HLO_1|Chain... at 99%
3i6o
RCSB PDB
PDBbind
99aa, >3I6O_1|Chains... at 91%
3i7e
RCSB PDB
PDBbind
99aa, >3I7E_1|Chains... at 92%
3iaw
RCSB PDB
PDBbind
203aa, >3IAW_1|Chain... at 99%
3ka2
RCSB PDB
PDBbind
203aa, >3KA2_1|Chain... at 99%
3lzv
RCSB PDB
PDBbind
99aa, >3LZV_1|Chains... at 90%
3mxd
RCSB PDB
PDBbind
99aa, >3MXD_1|Chains... at 91%
3mxe
RCSB PDB
PDBbind
99aa, >3MXE_1|Chains... at 91%
3nu3
RCSB PDB
PDBbind
99aa, >3NU3_1|Chains... at 91%
3nu4
RCSB PDB
PDBbind
99aa, >3NU4_1|Chains... at 90%
3nu5
RCSB PDB
PDBbind
99aa, >3NU5_1|Chains... at 90%
3nu6
RCSB PDB
PDBbind
99aa, >3NU6_1|Chains... at 90%
3nu9
RCSB PDB
PDBbind
99aa, >3NU9_1|Chains... at 90%
3nuj
RCSB PDB
PDBbind
99aa, >3NUJ_1|Chains... at 90%
3nuo
RCSB PDB
PDBbind
99aa, >3NUO_1|Chains... at 90%
3o99
RCSB PDB
PDBbind
99aa, >3O99_1|Chains... at 91%
3o9a
RCSB PDB
PDBbind
99aa, >3O9A_1|Chains... at 91%
3o9b
RCSB PDB
PDBbind
99aa, >3O9B_1|Chains... at 91%
3o9c
RCSB PDB
PDBbind
99aa, >3O9C_1|Chains... at 91%
3o9d
RCSB PDB
PDBbind
99aa, >3O9D_1|Chains... at 91%
3o9e
RCSB PDB
PDBbind
99aa, >3O9E_1|Chains... at 91%
3o9f
RCSB PDB
PDBbind
99aa, >3O9F_1|Chains... at 91%
3o9g
RCSB PDB
PDBbind
99aa, >3O9G_1|Chains... at 91%
3o9h
RCSB PDB
PDBbind
99aa, >3O9H_1|Chains... at 91%
3o9i
RCSB PDB
PDBbind
99aa, >3O9I_1|Chains... at 91%
3ok9
RCSB PDB
PDBbind
99aa, >3OK9_1|Chains... at 91%
3oxc
RCSB PDB
PDBbind
99aa, >3OXC_1|Chains... at 91%
3pwm
RCSB PDB
PDBbind
99aa, >3PWM_1|Chains... at 90%
3qaa
RCSB PDB
PDBbind
99aa, >3QAA_1|Chains... at 91%
3st5
RCSB PDB
PDBbind
99aa, >3ST5_1|Chains... at 91%
3vf5
RCSB PDB
PDBbind
99aa, >3VF5_1|Chains... at 90%
3vf7
RCSB PDB
PDBbind
99aa, >3VF7_1|Chains... at 90%
3vfa
RCSB PDB
PDBbind
99aa, >3VFA_1|Chains... at 90%
3vfb
RCSB PDB
PDBbind
99aa, >3VFB_1|Chains... at 90%
4dfg
RCSB PDB
PDBbind
99aa, >4DFG_1|Chains... at 91%
4djo
RCSB PDB
PDBbind
99aa, >4DJO_1|Chains... at 91%
4djp
RCSB PDB
PDBbind
99aa, >4DJP_1|Chains... at 91%
4djq
RCSB PDB
PDBbind
99aa, >4DJQ_1|Chains... at 91%
4djr
RCSB PDB
PDBbind
99aa, >4DJR_1|Chains... at 91%
4ej8
RCSB PDB
PDBbind
99aa, >4EJ8_1|Chains... at 92%
4ejl
RCSB PDB
PDBbind
99aa, >4EJL_1|Chains... at 92%
4ep2
RCSB PDB
PDBbind
203aa, >4EP2_1|Chain... at 90%
4hdb
RCSB PDB
PDBbind
99aa, >4HDB_1|Chains... at 90%
4hdf
RCSB PDB
PDBbind
99aa, >4HDF_1|Chains... at 90%
4hdp
RCSB PDB
PDBbind
99aa, >4HDP_1|Chains... at 90%
4he9
RCSB PDB
PDBbind
99aa, >4HE9_1|Chains... at 90%
4heg
RCSB PDB
PDBbind
99aa, >4HEG_1|Chains... at 90%
4kb9
RCSB PDB
PDBbind
99aa, >4KB9_1|Chains... at 91%
4q1w
RCSB PDB
PDBbind
99aa, >4Q1W_1|Chains... at 90%
4q1x
RCSB PDB
PDBbind
99aa, >4Q1X_1|Chains... at 90%
4q1y
RCSB PDB
PDBbind
99aa, >4Q1Y_1|Chains... at 90%
4u8w
RCSB PDB
PDBbind
99aa, >4U8W_1|Chains... at 91%
4zip
RCSB PDB
PDBbind
99aa, >4ZIP_1|Chains... at 91%
4zls
RCSB PDB
PDBbind
99aa, >4ZLS_1|Chains... at 91%
5bry
RCSB PDB
PDBbind
99aa, >5BRY_1|Chains... at 91%
5bs4
RCSB PDB
PDBbind
99aa, >5BS4_1|Chains... at 91%
5dgu
RCSB PDB
PDBbind
99aa, >5DGU_1|Chains... at 91%
5dgw
RCSB PDB
PDBbind
99aa, >5DGW_1|Chains... at 91%
5jfp
RCSB PDB
PDBbind
99aa, >5JFP_1|Chains... at 91%
5jfu
RCSB PDB
PDBbind
99aa, >5JFU_1|Chains... at 91%
5jg1
RCSB PDB
PDBbind
99aa, >5JG1_1|Chains... at 91%
5ult
RCSB PDB
PDBbind
99aa, >5ULT_1|Chains... at 91%
5uov
RCSB PDB
PDBbind
99aa, >5UOV_1|Chains... at 91%
5upz
RCSB PDB
PDBbind
99aa, >5UPZ_1|Chains... at 91%
5wlo
RCSB PDB
PDBbind
99aa, >5WLO_1|Chains... at 91%
6b4n
RCSB PDB
PDBbind
99aa, >6B4N_1|Chains... at 91%
6c8x
RCSB PDB
PDBbind
99aa, >6C8X_1|Chains... at 91%
6cdj
RCSB PDB
PDBbind
99aa, >6CDJ_1|Chains... at 91%
6cdl
RCSB PDB
PDBbind
99aa, >6CDL_1|Chains... at 91%
6dif
RCSB PDB
PDBbind
99aa, >6DIF_1|Chains... at 91%
6dil
RCSB PDB
PDBbind
99aa, >6DIL_1|Chains... at 90%
6dj1
RCSB PDB
PDBbind
99aa, >6DJ1_1|Chains... at 91%
6dj2
RCSB PDB
PDBbind
99aa, >6DJ2_1|Chains... at 90%
6dj5
RCSB PDB
PDBbind
99aa, >6DJ5_1|Chains... at 90%
6dj7
RCSB PDB
PDBbind
99aa, >6DJ7_1|Chains... at 90%
6e7j
RCSB PDB
PDBbind
99aa, >6E7J_1|Chains... at 91%
6e9a
RCSB PDB
PDBbind
99aa, >6E9A_1|Chains... at 91%
7hvp
RCSB PDB
PDBbind
99aa, >7HVP_1|Chains... at 93%
8hvp
RCSB PDB
PDBbind
99aa, >8HVP_1|Chains... at 93%
6o48
RCSB PDB
PDBbind
99aa, >6O48_1|Chains... at 91%
6ixd
RCSB PDB
PDBbind
99aa, >6IXD_1|Chains... at 91%
6u7o
RCSB PDB
PDBbind
99aa, >6U7O_1|Chains... at 91%
6u7p
RCSB PDB
PDBbind
99aa, >6U7P_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2aoc
RCSB PDB
PDBbind
2NC
2aod
RCSB PDB
PDBbind
2NC
2aog
RCSB PDB
PDBbind
2NC
2avm
RCSB PDB
PDBbind
2NC
2avq
RCSB PDB
PDBbind
2NC
3fsm
RCSB PDB
PDBbind
2NC
3hau
RCSB PDB
PDBbind
2NC
3haw
RCSB PDB
PDBbind
2NC
3hbo
RCSB PDB
PDBbind
2NC
3hdk
RCSB PDB
PDBbind
2NC
3hlo
RCSB PDB
PDBbind
2NC
3iaw
RCSB PDB
PDBbind
2NC
3ka2
RCSB PDB
PDBbind
2NC
6o5a
RCSB PDB
PDBbind
2NC
6o57
RCSB PDB
PDBbind
2NC
Entry Information
PDB ID
3bva
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Protease (D25N )
Ligand Name
2NC
EC.Number
E.C.3.4.23.16
Resolution
1.05(Å)
Affinity (Kd/Ki/IC50)
Kd=0.30uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Biol.Chem. Vol. 283: pp. 13459-13470
Ligand Properties
Formula
C
3
5
H
6
9
N
1
1
O
8
Molecular Weight
771.991
Exact Mass
771.533
No. of atoms
123
No. of bonds
122
Polar Surface Area
334.53
LOGP Value
1.18 (
Computed with XLOGP3
)
-0.19 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 35
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 0
Canonical SMILES
CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCC[NH+]=C(N)N)CCC(=O)N)[NH2+]C[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)C)CCCC
InChI String
InChI=1S/C35H67N11O8/c1-7-10-13-23(43-33(53)28(20(4)9-3)46-34(54)29(21(5)47)42-22(6)48)19-41-25(14-11-8-2)31(51)45-26(16-17-27(36)49)32(52)44-24(30(37)50)15-12-18-40-35(38)39/h20-21,23-26,28-29,41,47H,7-19H2,1-6H3,(H2,36,49)(H2,37,50)(H,42,48)(H,43,53)(H,44,52)(H,45,51)(H,46,54)(H4,38,39,40)/p+2/t20-,21+,23-,24-,25-,26-,28-,29-/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):
P03367
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
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