USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 565 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 SER OG : rot 180:sc=-0.00666 USER MOD Set 1.2: A 67 MET CE :methyl -174:sc= -1.72 (180deg=-1.85) USER MOD Single : A 4 SER OG : rot 31:sc= 0.115 USER MOD Single : A 8 GLN : amide:sc= -1.53! K(o=-1.5!,f=-0.13) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 27 GLN : amide:sc= -1.3! K(o=-1.3!,f=-0.023) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 0.441 (180deg=0.237) USER MOD Single : A 32 ASN : amide:sc=-0.00407 K(o=-0.0041,f=-0.85) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 30:sc= 0.76 USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= 1.25 (180deg=1.12) USER MOD Single : A 57 LYS NZ :NH3+ 148:sc= 1.25 (180deg=-0.178) USER MOD Single : A 61 ASN : amide:sc= -0.69 X(o=-0.69,f=-0.8) USER MOD Single : A 65 THR OG1 : rot 160:sc= 0.259 USER MOD Single : A 69 THR OG1 : rot -150:sc= 0.633 USER MOD Single : A 71 SER OG : rot 170:sc= 0.0634 USER MOD ----------------------------------------------------------------- ATOM 38 N SER A 4 8.521 -5.823 1.217 1.00 71.02 N ATOM 39 CA SER A 4 8.114 -6.830 2.178 1.00 42.34 C ATOM 40 C SER A 4 9.042 -6.794 3.385 1.00 25.41 C ATOM 41 O SER A 4 10.159 -7.310 3.334 1.00 72.11 O ATOM 42 CB SER A 4 8.123 -8.218 1.525 1.00 74.12 C ATOM 43 OG SER A 4 7.295 -8.240 0.370 1.00 34.13 O ATOM 0 HA SER A 4 7.099 -6.618 2.513 1.00 42.34 H new ATOM 0 HB2 SER A 4 9.143 -8.489 1.252 1.00 74.12 H new ATOM 0 HB3 SER A 4 7.776 -8.963 2.241 1.00 74.12 H new ATOM 0 HG SER A 4 7.288 -7.352 -0.044 1.00 34.13 H new ATOM 49 N GLU A 5 8.592 -6.146 4.451 1.00 73.11 N ATOM 50 CA GLU A 5 9.388 -6.009 5.664 1.00 2.22 C ATOM 51 C GLU A 5 9.408 -7.316 6.442 1.00 63.11 C ATOM 52 O GLU A 5 8.457 -7.643 7.159 1.00 33.12 O ATOM 53 CB GLU A 5 8.826 -4.887 6.536 1.00 74.03 C ATOM 54 CG GLU A 5 8.833 -3.529 5.857 1.00 3.23 C ATOM 55 CD GLU A 5 7.909 -2.542 6.531 1.00 61.35 C ATOM 56 OE1 GLU A 5 8.398 -1.654 7.260 1.00 21.51 O ATOM 57 OE2 GLU A 5 6.681 -2.652 6.332 1.00 22.25 O1- ATOM 0 H GLU A 5 7.674 -5.704 4.500 1.00 73.11 H new ATOM 0 HA GLU A 5 10.411 -5.760 5.380 1.00 2.22 H new ATOM 0 HB2 GLU A 5 7.804 -5.136 6.821 1.00 74.03 H new ATOM 0 HB3 GLU A 5 9.407 -4.827 7.456 1.00 74.03 H new ATOM 0 HG2 GLU A 5 9.848 -3.131 5.858 1.00 3.23 H new ATOM 0 HG3 GLU A 5 8.537 -3.646 4.814 1.00 3.23 H new ATOM 64 N GLY A 6 10.482 -8.067 6.286 1.00 13.15 N ATOM 65 CA GLY A 6 10.595 -9.334 6.963 1.00 42.42 C ATOM 66 C GLY A 6 12.024 -9.814 7.067 1.00 52.24 C ATOM 67 O GLY A 6 12.871 -9.471 6.237 1.00 3.43 O ATOM 0 H GLY A 6 11.280 -7.820 5.700 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.172 -9.246 7.964 1.00 42.42 H new ATOM 0 HA3 GLY A 6 10.003 -10.079 6.431 1.00 42.42 H new ATOM 71 N CYS A 7 12.287 -10.600 8.093 1.00 10.20 N ATOM 72 CA CYS A 7 13.601 -11.176 8.311 1.00 70.11 C ATOM 73 C CYS A 7 13.735 -12.486 7.539 1.00 4.44 C ATOM 74 O CYS A 7 12.734 -13.114 7.188 1.00 72.14 O ATOM 75 CB CYS A 7 13.814 -11.427 9.804 1.00 4.33 C ATOM 76 SG CYS A 7 13.577 -9.955 10.852 1.00 21.12 S ATOM 0 H CYS A 7 11.597 -10.857 8.799 1.00 10.20 H new ATOM 0 HA CYS A 7 14.358 -10.478 7.953 1.00 70.11 H new ATOM 0 HB2 CYS A 7 13.126 -12.207 10.131 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.824 -11.808 9.956 1.00 4.33 H new ATOM 81 N GLN A 8 14.967 -12.896 7.283 1.00 15.12 N ATOM 82 CA GLN A 8 15.229 -14.121 6.537 1.00 64.14 C ATOM 83 C GLN A 8 15.307 -15.328 7.468 1.00 64.22 C ATOM 84 O GLN A 8 15.117 -15.209 8.683 1.00 1.10 O ATOM 85 CB GLN A 8 16.526 -14.009 5.739 1.00 50.41 C ATOM 86 CG GLN A 8 17.762 -13.834 6.603 1.00 43.35 C ATOM 87 CD GLN A 8 19.043 -14.206 5.882 1.00 51.10 C ATOM 88 OE1 GLN A 8 20.086 -13.594 6.099 1.00 41.23 O ATOM 89 NE2 GLN A 8 18.991 -15.245 5.057 1.00 23.50 N ATOM 0 H GLN A 8 15.806 -12.398 7.581 1.00 15.12 H new ATOM 0 HA GLN A 8 14.398 -14.263 5.846 1.00 64.14 H new ATOM 0 HB2 GLN A 8 16.645 -14.904 5.128 1.00 50.41 H new ATOM 0 HB3 GLN A 8 16.449 -13.164 5.055 1.00 50.41 H new ATOM 0 HG2 GLN A 8 17.825 -12.797 6.933 1.00 43.35 H new ATOM 0 HG3 GLN A 8 17.663 -14.448 7.498 1.00 43.35 H new ATOM 0 HE21 GLN A 8 18.107 -15.729 4.901 1.00 23.50 H new ATOM 0 HE22 GLN A 8 19.835 -15.559 4.579 1.00 23.50 H new ATOM 98 N ILE A 9 15.601 -16.485 6.885 1.00 54.54 N ATOM 99 CA ILE A 9 15.666 -17.739 7.622 1.00 64.42 C ATOM 100 C ILE A 9 17.064 -17.946 8.203 1.00 73.43 C ATOM 101 O ILE A 9 18.070 -17.670 7.550 1.00 71.43 O ATOM 102 CB ILE A 9 15.323 -18.938 6.701 1.00 54.42 C ATOM 103 CG1 ILE A 9 13.920 -18.792 6.115 1.00 1.03 C ATOM 104 CG2 ILE A 9 15.444 -20.256 7.450 1.00 60.45 C ATOM 105 CD1 ILE A 9 13.525 -19.940 5.208 1.00 23.41 C ATOM 0 H ILE A 9 15.801 -16.579 5.889 1.00 54.54 H new ATOM 0 HA ILE A 9 14.937 -17.686 8.431 1.00 64.42 H new ATOM 0 HB ILE A 9 16.043 -18.941 5.882 1.00 54.42 H new ATOM 0 HG12 ILE A 9 13.200 -18.718 6.930 1.00 1.03 H new ATOM 0 HG13 ILE A 9 13.864 -17.859 5.554 1.00 1.03 H new ATOM 0 HG21 ILE A 9 15.198 -21.079 6.780 1.00 60.45 H new ATOM 0 HG22 ILE A 9 16.465 -20.376 7.812 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.756 -20.258 8.296 1.00 60.45 H new ATOM 0 HD11 ILE A 9 12.518 -19.772 4.827 1.00 23.41 H new ATOM 0 HD12 ILE A 9 14.224 -20.001 4.374 1.00 23.41 H new ATOM 0 HD13 ILE A 9 13.549 -20.873 5.771 1.00 23.41 H new ATOM 117 N ILE A 10 17.119 -18.417 9.440 1.00 1.44 N ATOM 118 CA ILE A 10 18.385 -18.694 10.092 1.00 53.14 C ATOM 119 C ILE A 10 18.688 -20.181 10.024 1.00 15.30 C ATOM 120 O ILE A 10 17.836 -21.013 10.331 1.00 44.43 O ATOM 121 CB ILE A 10 18.380 -18.236 11.566 1.00 44.30 C ATOM 122 CG1 ILE A 10 18.034 -16.748 11.663 1.00 13.24 C ATOM 123 CG2 ILE A 10 19.731 -18.512 12.218 1.00 25.05 C ATOM 124 CD1 ILE A 10 17.919 -16.242 13.085 1.00 42.33 C ATOM 0 H ILE A 10 16.298 -18.615 10.012 1.00 1.44 H new ATOM 0 HA ILE A 10 19.157 -18.133 9.566 1.00 53.14 H new ATOM 0 HB ILE A 10 17.618 -18.804 12.099 1.00 44.30 H new ATOM 0 HG12 ILE A 10 18.799 -16.171 11.142 1.00 13.24 H new ATOM 0 HG13 ILE A 10 17.092 -16.569 11.145 1.00 13.24 H new ATOM 0 HG21 ILE A 10 19.708 -18.182 13.257 1.00 25.05 H new ATOM 0 HG22 ILE A 10 19.941 -19.581 12.181 1.00 25.05 H new ATOM 0 HG23 ILE A 10 20.511 -17.970 11.683 1.00 25.05 H new ATOM 0 HD11 ILE A 10 17.672 -15.180 13.075 1.00 42.33 H new ATOM 0 HD12 ILE A 10 17.134 -16.792 13.605 1.00 42.33 H new ATOM 0 HD13 ILE A 10 18.868 -16.389 13.601 1.00 42.33 H new ATOM 136 N HIS A 11 19.899 -20.504 9.606 1.00 11.24 N ATOM 137 CA HIS A 11 20.316 -21.889 9.478 1.00 24.14 C ATOM 138 C HIS A 11 20.626 -22.475 10.854 1.00 73.03 C ATOM 139 O HIS A 11 21.411 -21.899 11.606 1.00 11.43 O ATOM 140 CB HIS A 11 21.554 -21.973 8.583 1.00 24.23 C ATOM 141 CG HIS A 11 21.664 -23.258 7.831 1.00 51.10 C ATOM 142 ND1 HIS A 11 22.521 -24.275 8.184 1.00 34.40 N ATOM 143 CD2 HIS A 11 21.020 -23.678 6.721 1.00 73.31 C ATOM 144 CE1 HIS A 11 22.399 -25.267 7.323 1.00 41.44 C ATOM 145 NE2 HIS A 11 21.494 -24.932 6.426 1.00 32.35 N ATOM 0 H HIS A 11 20.613 -19.823 9.349 1.00 11.24 H new ATOM 0 HA HIS A 11 19.507 -22.464 9.027 1.00 24.14 H new ATOM 0 HB2 HIS A 11 21.535 -21.147 7.872 1.00 24.23 H new ATOM 0 HB3 HIS A 11 22.445 -21.844 9.197 1.00 24.23 H new ATOM 0 HD2 HIS A 11 20.272 -23.130 6.168 1.00 73.31 H new ATOM 0 HE1 HIS A 11 22.948 -26.197 7.349 1.00 41.44 H new ATOM 0 HE2 HIS A 11 21.195 -25.510 5.641 1.00 32.35 H new ATOM 154 N PRO A 12 19.999 -23.614 11.206 1.00 62.10 N ATOM 155 CA PRO A 12 20.227 -24.280 12.495 1.00 31.33 C ATOM 156 C PRO A 12 21.693 -24.655 12.691 1.00 62.52 C ATOM 157 O PRO A 12 22.228 -25.504 11.970 1.00 11.24 O ATOM 158 CB PRO A 12 19.345 -25.536 12.429 1.00 52.40 C ATOM 159 CG PRO A 12 19.011 -25.712 10.986 1.00 51.45 C ATOM 160 CD PRO A 12 19.023 -24.337 10.380 1.00 4.22 C ATOM 0 HA PRO A 12 19.981 -23.632 13.336 1.00 31.33 H new ATOM 0 HB2 PRO A 12 19.872 -26.407 12.819 1.00 52.40 H new ATOM 0 HB3 PRO A 12 18.443 -25.414 13.029 1.00 52.40 H new ATOM 0 HG2 PRO A 12 19.737 -26.360 10.495 1.00 51.45 H new ATOM 0 HG3 PRO A 12 18.034 -26.181 10.867 1.00 51.45 H new ATOM 0 HD2 PRO A 12 19.322 -24.362 9.332 1.00 4.22 H new ATOM 0 HD3 PRO A 12 18.038 -23.871 10.420 1.00 4.22 H new ATOM 168 N PRO A 13 22.367 -24.008 13.653 1.00 72.42 N ATOM 169 CA PRO A 13 23.795 -24.214 13.885 1.00 11.03 C ATOM 170 C PRO A 13 24.105 -25.543 14.579 1.00 21.12 C ATOM 171 O PRO A 13 24.362 -26.550 13.921 1.00 10.42 O ATOM 172 CB PRO A 13 24.181 -23.027 14.766 1.00 63.12 C ATOM 173 CG PRO A 13 22.933 -22.664 15.496 1.00 12.24 C ATOM 174 CD PRO A 13 21.788 -23.013 14.580 1.00 11.22 C ATOM 0 HA PRO A 13 24.355 -24.267 12.951 1.00 11.03 H new ATOM 0 HB2 PRO A 13 24.980 -23.293 15.458 1.00 63.12 H new ATOM 0 HB3 PRO A 13 24.544 -22.192 14.166 1.00 63.12 H new ATOM 0 HG2 PRO A 13 22.859 -23.211 16.436 1.00 12.24 H new ATOM 0 HG3 PRO A 13 22.923 -21.603 15.744 1.00 12.24 H new ATOM 0 HD2 PRO A 13 20.945 -23.426 15.134 1.00 11.22 H new ATOM 0 HD3 PRO A 13 21.421 -22.136 14.047 1.00 11.22 H new ATOM 182 N TRP A 14 24.081 -25.538 15.905 1.00 13.53 N ATOM 183 CA TRP A 14 24.379 -26.727 16.686 1.00 55.11 C ATOM 184 C TRP A 14 23.080 -27.366 17.183 1.00 13.40 C ATOM 185 O TRP A 14 21.996 -26.898 16.839 1.00 31.14 O ATOM 186 CB TRP A 14 25.302 -26.366 17.857 1.00 53.25 C ATOM 187 CG TRP A 14 26.087 -27.532 18.377 1.00 30.52 C ATOM 188 CD1 TRP A 14 25.903 -28.183 19.562 1.00 34.14 C ATOM 189 CD2 TRP A 14 27.174 -28.192 17.717 1.00 32.13 C ATOM 190 NE1 TRP A 14 26.809 -29.207 19.679 1.00 11.25 N ATOM 191 CE2 TRP A 14 27.602 -29.232 18.563 1.00 72.24 C ATOM 192 CE3 TRP A 14 27.828 -28.003 16.493 1.00 52.43 C ATOM 193 CZ2 TRP A 14 28.652 -30.081 18.221 1.00 61.11 C ATOM 194 CZ3 TRP A 14 28.870 -28.846 16.158 1.00 24.33 C ATOM 195 CH2 TRP A 14 29.272 -29.874 17.020 1.00 71.42 C ATOM 0 H TRP A 14 23.856 -24.715 16.464 1.00 13.53 H new ATOM 0 HA TRP A 14 24.895 -27.453 16.057 1.00 55.11 H new ATOM 0 HB2 TRP A 14 25.993 -25.585 17.538 1.00 53.25 H new ATOM 0 HB3 TRP A 14 24.703 -25.950 18.667 1.00 53.25 H new ATOM 0 HD1 TRP A 14 25.155 -27.930 20.299 1.00 34.14 H new ATOM 0 HE1 TRP A 14 26.880 -29.847 20.470 1.00 11.25 H new ATOM 0 HE3 TRP A 14 27.523 -27.213 15.823 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 28.966 -30.876 18.882 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 29.382 -28.710 15.217 1.00 24.33 H new ATOM 0 HH2 TRP A 14 30.090 -30.517 16.730 1.00 71.42 H new ATOM 206 N GLU A 15 23.212 -28.450 17.957 1.00 44.34 N ATOM 207 CA GLU A 15 22.081 -29.162 18.562 1.00 22.34 C ATOM 208 C GLU A 15 21.009 -28.202 19.074 1.00 24.33 C ATOM 209 O GLU A 15 21.179 -27.580 20.126 1.00 3.10 O ATOM 210 CB GLU A 15 22.566 -30.020 19.732 1.00 35.12 C ATOM 211 CG GLU A 15 23.653 -31.015 19.371 1.00 53.31 C ATOM 212 CD GLU A 15 23.192 -32.039 18.361 1.00 41.30 C ATOM 213 OE1 GLU A 15 22.222 -32.767 18.648 1.00 63.35 O ATOM 214 OE2 GLU A 15 23.815 -32.141 17.287 1.00 74.13 O1- ATOM 0 H GLU A 15 24.117 -28.862 18.183 1.00 44.34 H new ATOM 0 HA GLU A 15 21.644 -29.788 17.784 1.00 22.34 H new ATOM 0 HB2 GLU A 15 22.938 -29.363 20.519 1.00 35.12 H new ATOM 0 HB3 GLU A 15 21.716 -30.563 20.145 1.00 35.12 H new ATOM 0 HG2 GLU A 15 24.513 -30.478 18.972 1.00 53.31 H new ATOM 0 HG3 GLU A 15 23.987 -31.526 20.274 1.00 53.31 H new ATOM 221 N GLY A 16 19.931 -28.059 18.316 1.00 71.54 N ATOM 222 CA GLY A 16 18.845 -27.207 18.743 1.00 11.25 C ATOM 223 C GLY A 16 17.806 -27.005 17.665 1.00 0.41 C ATOM 224 O GLY A 16 17.795 -27.715 16.657 1.00 33.22 O ATOM 0 H GLY A 16 19.791 -28.517 17.416 1.00 71.54 H new ATOM 0 HA2 GLY A 16 18.371 -27.643 19.622 1.00 11.25 H new ATOM 0 HA3 GLY A 16 19.245 -26.238 19.043 1.00 11.25 H new ATOM 228 N GLY A 17 16.925 -26.044 17.891 1.00 23.54 N ATOM 229 CA GLY A 17 15.888 -25.719 16.937 1.00 23.21 C ATOM 230 C GLY A 17 15.359 -24.320 17.167 1.00 4.21 C ATOM 231 O GLY A 17 15.920 -23.571 17.970 1.00 73.45 O ATOM 0 H GLY A 17 16.912 -25.473 18.736 1.00 23.54 H new ATOM 0 HA2 GLY A 17 16.282 -25.801 15.924 1.00 23.21 H new ATOM 0 HA3 GLY A 17 15.073 -26.438 17.021 1.00 23.21 H new ATOM 235 N ILE A 18 14.277 -23.963 16.492 1.00 13.11 N ATOM 236 CA ILE A 18 13.737 -22.620 16.602 1.00 4.12 C ATOM 237 C ILE A 18 12.227 -22.630 16.768 1.00 21.53 C ATOM 238 O ILE A 18 11.511 -23.374 16.095 1.00 64.33 O ATOM 239 CB ILE A 18 14.149 -21.742 15.397 1.00 60.43 C ATOM 240 CG1 ILE A 18 15.606 -21.320 15.567 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.243 -20.522 15.256 1.00 50.32 C ATOM 242 CD1 ILE A 18 16.109 -20.379 14.490 1.00 70.34 C ATOM 0 H ILE A 18 13.760 -24.581 15.867 1.00 13.11 H new ATOM 0 HA ILE A 18 14.166 -22.180 17.502 1.00 4.12 H new ATOM 0 HB ILE A 18 14.041 -22.325 14.482 1.00 60.43 H new ATOM 0 HG12 ILE A 18 15.722 -20.839 16.538 1.00 33.34 H new ATOM 0 HG13 ILE A 18 16.232 -22.212 15.576 1.00 33.34 H new ATOM 0 HG21 ILE A 18 13.562 -19.929 14.399 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.214 -20.848 15.108 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.305 -19.916 16.160 1.00 50.32 H new ATOM 0 HD11 ILE A 18 17.152 -20.128 14.684 1.00 70.34 H new ATOM 0 HD12 ILE A 18 16.028 -20.863 13.517 1.00 70.34 H new ATOM 0 HD13 ILE A 18 15.510 -19.468 14.493 1.00 70.34 H new ATOM 254 N ARG A 19 11.760 -21.811 17.693 1.00 44.43 N ATOM 255 CA ARG A 19 10.344 -21.681 17.965 1.00 12.34 C ATOM 256 C ARG A 19 9.778 -20.446 17.277 1.00 54.31 C ATOM 257 O ARG A 19 10.407 -19.392 17.274 1.00 14.40 O ATOM 258 CB ARG A 19 10.123 -21.574 19.467 1.00 21.13 C ATOM 259 CG ARG A 19 8.667 -21.763 19.864 1.00 74.22 C ATOM 260 CD ARG A 19 8.421 -21.471 21.337 1.00 2.13 C ATOM 261 NE ARG A 19 9.198 -22.340 22.217 1.00 34.34 N ATOM 262 CZ ARG A 19 8.872 -23.597 22.511 1.00 15.24 C ATOM 263 NH1 ARG A 19 7.801 -24.165 21.968 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 9.625 -24.286 23.351 1.00 45.00 N ATOM 0 H ARG A 19 12.353 -21.219 18.275 1.00 44.43 H new ATOM 0 HA ARG A 19 9.831 -22.562 17.579 1.00 12.34 H new ATOM 0 HB2 ARG A 19 10.733 -22.322 19.973 1.00 21.13 H new ATOM 0 HB3 ARG A 19 10.465 -20.598 19.811 1.00 21.13 H new ATOM 0 HG2 ARG A 19 8.041 -21.108 19.258 1.00 74.22 H new ATOM 0 HG3 ARG A 19 8.364 -22.787 19.645 1.00 74.22 H new ATOM 0 HD2 ARG A 19 8.672 -20.431 21.545 1.00 2.13 H new ATOM 0 HD3 ARG A 19 7.360 -21.593 21.556 1.00 2.13 H new ATOM 0 HE ARG A 19 10.047 -21.958 22.634 1.00 34.34 H new ATOM 0 HH11 ARG A 19 7.218 -23.637 21.318 1.00 45.21 H new ATOM 0 HH12 ARG A 19 7.561 -25.129 22.201 1.00 45.21 H new ATOM 0 HH21 ARG A 19 10.449 -23.854 23.769 1.00 45.00 H new ATOM 0 HH22 ARG A 19 9.382 -25.249 23.581 1.00 45.00 H new ATOM 278 N TYR A 20 8.594 -20.580 16.703 1.00 74.35 N ATOM 279 CA TYR A 20 7.926 -19.456 16.059 1.00 40.55 C ATOM 280 C TYR A 20 6.698 -19.043 16.865 1.00 34.25 C ATOM 281 O TYR A 20 6.532 -19.478 18.004 1.00 72.21 O ATOM 282 CB TYR A 20 7.534 -19.822 14.626 1.00 12.44 C ATOM 283 CG TYR A 20 8.720 -19.971 13.700 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.349 -21.198 13.525 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.213 -18.877 13.003 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.434 -21.329 12.680 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.297 -18.999 12.156 1.00 52.11 C ATOM 288 CZ TYR A 20 10.904 -20.228 11.998 1.00 34.52 C ATOM 289 OH TYR A 20 11.984 -20.353 11.156 1.00 22.43 O ATOM 0 H TYR A 20 8.073 -21.456 16.669 1.00 74.35 H new ATOM 0 HA TYR A 20 8.614 -18.611 16.021 1.00 40.55 H new ATOM 0 HB2 TYR A 20 6.972 -20.756 14.638 1.00 12.44 H new ATOM 0 HB3 TYR A 20 6.868 -19.054 14.232 1.00 12.44 H new ATOM 0 HD1 TYR A 20 8.984 -22.063 14.058 1.00 24.23 H new ATOM 0 HD2 TYR A 20 8.741 -17.913 13.125 1.00 1.23 H new ATOM 0 HE1 TYR A 20 10.911 -22.290 12.555 1.00 54.01 H new ATOM 0 HE2 TYR A 20 10.667 -18.137 11.620 1.00 52.11 H new ATOM 0 HH TYR A 20 12.187 -19.483 10.753 1.00 22.43 H new ATOM 299 N ARG A 21 5.848 -18.197 16.283 1.00 4.04 N ATOM 300 CA ARG A 21 4.626 -17.759 16.956 1.00 43.13 C ATOM 301 C ARG A 21 3.713 -18.948 17.231 1.00 4.10 C ATOM 302 O ARG A 21 3.363 -19.223 18.377 1.00 52.41 O ATOM 303 CB ARG A 21 3.880 -16.717 16.114 1.00 74.30 C ATOM 304 CG ARG A 21 4.476 -15.318 16.170 1.00 52.33 C ATOM 305 CD ARG A 21 4.388 -14.732 17.570 1.00 1.31 C ATOM 306 NE ARG A 21 4.630 -13.286 17.580 1.00 72.30 N ATOM 307 CZ ARG A 21 5.190 -12.629 18.597 1.00 63.53 C ATOM 308 NH1 ARG A 21 5.658 -13.291 19.649 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 5.292 -11.309 18.565 1.00 24.04 N ATOM 0 H ARG A 21 5.982 -17.803 15.352 1.00 4.04 H new ATOM 0 HA ARG A 21 4.912 -17.302 17.903 1.00 43.13 H new ATOM 0 HB2 ARG A 21 3.864 -17.050 15.076 1.00 74.30 H new ATOM 0 HB3 ARG A 21 2.844 -16.671 16.450 1.00 74.30 H new ATOM 0 HG2 ARG A 21 5.518 -15.352 15.853 1.00 52.33 H new ATOM 0 HG3 ARG A 21 3.951 -14.669 15.469 1.00 52.33 H new ATOM 0 HD2 ARG A 21 3.402 -14.937 17.987 1.00 1.31 H new ATOM 0 HD3 ARG A 21 5.115 -15.225 18.215 1.00 1.31 H new ATOM 0 HE ARG A 21 4.353 -12.749 16.758 1.00 72.30 H new ATOM 0 HH11 ARG A 21 5.590 -14.308 19.683 1.00 42.32 H new ATOM 0 HH12 ARG A 21 6.085 -12.782 20.423 1.00 42.32 H new ATOM 0 HH21 ARG A 21 4.941 -10.790 17.760 1.00 24.04 H new ATOM 0 HH22 ARG A 21 5.721 -10.812 19.345 1.00 24.04 H new ATOM 323 N GLY A 22 3.344 -19.655 16.173 1.00 11.55 N ATOM 324 CA GLY A 22 2.505 -20.825 16.313 1.00 50.05 C ATOM 325 C GLY A 22 2.572 -21.716 15.092 1.00 71.12 C ATOM 326 O GLY A 22 1.599 -21.836 14.343 1.00 54.54 O ATOM 0 H GLY A 22 3.614 -19.436 15.214 1.00 11.55 H new ATOM 0 HA2 GLY A 22 2.814 -21.390 17.192 1.00 50.05 H new ATOM 0 HA3 GLY A 22 1.474 -20.514 16.480 1.00 50.05 H new ATOM 330 N LEU A 23 3.728 -22.327 14.871 1.00 51.01 N ATOM 331 CA LEU A 23 3.918 -23.196 13.717 1.00 52.44 C ATOM 332 C LEU A 23 4.230 -24.621 14.154 1.00 5.12 C ATOM 333 O LEU A 23 5.135 -24.854 14.956 1.00 0.51 O ATOM 334 CB LEU A 23 5.038 -22.669 12.817 1.00 44.13 C ATOM 335 CG LEU A 23 4.756 -21.328 12.129 1.00 45.22 C ATOM 336 CD1 LEU A 23 5.959 -20.883 11.313 1.00 34.31 C ATOM 337 CD2 LEU A 23 3.521 -21.425 11.243 1.00 3.33 C ATOM 0 H LEU A 23 4.546 -22.238 15.473 1.00 51.01 H new ATOM 0 HA LEU A 23 2.987 -23.202 13.150 1.00 52.44 H new ATOM 0 HB2 LEU A 23 5.944 -22.567 13.415 1.00 44.13 H new ATOM 0 HB3 LEU A 23 5.245 -23.415 12.050 1.00 44.13 H new ATOM 0 HG LEU A 23 4.566 -20.583 12.902 1.00 45.22 H new ATOM 0 HD11 LEU A 23 5.740 -19.930 10.832 1.00 34.31 H new ATOM 0 HD12 LEU A 23 6.822 -20.769 11.969 1.00 34.31 H new ATOM 0 HD13 LEU A 23 6.179 -21.631 10.552 1.00 34.31 H new ATOM 0 HD21 LEU A 23 3.340 -20.462 10.765 1.00 3.33 H new ATOM 0 HD22 LEU A 23 3.680 -22.186 10.479 1.00 3.33 H new ATOM 0 HD23 LEU A 23 2.658 -21.697 11.851 1.00 3.33 H new ATOM 349 N THR A 24 3.454 -25.558 13.631 1.00 45.31 N ATOM 350 CA THR A 24 3.660 -26.973 13.880 1.00 75.32 C ATOM 351 C THR A 24 4.694 -27.544 12.903 1.00 64.12 C ATOM 352 O THR A 24 5.281 -26.803 12.106 1.00 23.12 O ATOM 353 CB THR A 24 2.329 -27.753 13.772 1.00 73.21 C ATOM 354 OG1 THR A 24 2.514 -29.123 14.151 1.00 0.00 O ATOM 355 CG2 THR A 24 1.764 -27.683 12.360 1.00 12.52 C ATOM 0 H THR A 24 2.662 -25.356 13.021 1.00 45.31 H new ATOM 0 HA THR A 24 4.039 -27.086 14.896 1.00 75.32 H new ATOM 0 HB THR A 24 1.618 -27.287 14.454 1.00 73.21 H new ATOM 0 HG1 THR A 24 1.661 -29.601 14.078 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.828 -28.240 12.314 1.00 12.52 H new ATOM 0 HG22 THR A 24 1.580 -26.642 12.093 1.00 12.52 H new ATOM 0 HG23 THR A 24 2.479 -28.116 11.660 1.00 12.52 H new ATOM 363 N ARG A 25 4.917 -28.856 12.991 1.00 3.14 N ATOM 364 CA ARG A 25 5.913 -29.553 12.179 1.00 73.32 C ATOM 365 C ARG A 25 5.598 -29.453 10.679 1.00 50.00 C ATOM 366 O ARG A 25 4.642 -28.786 10.279 1.00 5.42 O ATOM 367 CB ARG A 25 5.937 -31.031 12.573 1.00 33.05 C ATOM 368 CG ARG A 25 4.674 -31.769 12.151 1.00 24.32 C ATOM 369 CD ARG A 25 4.781 -33.267 12.359 1.00 10.33 C ATOM 370 NE ARG A 25 3.726 -33.981 11.642 1.00 33.14 N ATOM 371 CZ ARG A 25 3.491 -35.286 11.757 1.00 2.41 C ATOM 372 NH1 ARG A 25 4.180 -36.015 12.624 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 2.549 -35.851 11.011 1.00 62.54 N ATOM 0 H ARG A 25 4.409 -29.467 13.631 1.00 3.14 H new ATOM 0 HA ARG A 25 6.879 -29.082 12.361 1.00 73.32 H new ATOM 0 HB2 ARG A 25 6.803 -31.511 12.118 1.00 33.05 H new ATOM 0 HB3 ARG A 25 6.058 -31.114 13.653 1.00 33.05 H new ATOM 0 HG2 ARG A 25 3.826 -31.386 12.719 1.00 24.32 H new ATOM 0 HG3 ARG A 25 4.472 -31.565 11.100 1.00 24.32 H new ATOM 0 HD2 ARG A 25 5.756 -33.615 12.017 1.00 10.33 H new ATOM 0 HD3 ARG A 25 4.718 -33.494 13.423 1.00 10.33 H new ATOM 0 HE ARG A 25 3.131 -33.444 11.012 1.00 33.14 H new ATOM 0 HH11 ARG A 25 4.893 -35.576 13.206 1.00 13.30 H new ATOM 0 HH12 ARG A 25 3.997 -37.015 12.709 1.00 13.30 H new ATOM 0 HH21 ARG A 25 2.011 -35.285 10.355 1.00 62.54 H new ATOM 0 HH22 ARG A 25 2.364 -36.851 11.094 1.00 62.54 H new ATOM 387 N ASP A 26 6.388 -30.180 9.874 1.00 11.55 N ATOM 388 CA ASP A 26 6.263 -30.207 8.405 1.00 13.41 C ATOM 389 C ASP A 26 6.574 -28.850 7.772 1.00 2.54 C ATOM 390 O ASP A 26 7.310 -28.771 6.793 1.00 54.04 O ATOM 391 CB ASP A 26 4.877 -30.683 7.961 1.00 51.21 C ATOM 392 CG ASP A 26 4.723 -30.666 6.451 1.00 14.41 C ATOM 393 OD1 ASP A 26 5.388 -31.477 5.768 1.00 15.50 O ATOM 394 OD2 ASP A 26 3.937 -29.849 5.937 1.00 15.44 O1- ATOM 0 H ASP A 26 7.140 -30.772 10.226 1.00 11.55 H new ATOM 0 HA ASP A 26 7.006 -30.923 8.053 1.00 13.41 H new ATOM 0 HB2 ASP A 26 4.706 -31.694 8.331 1.00 51.21 H new ATOM 0 HB3 ASP A 26 4.115 -30.046 8.410 1.00 51.21 H new ATOM 399 N GLN A 27 6.014 -27.797 8.340 1.00 2.23 N ATOM 400 CA GLN A 27 6.197 -26.441 7.851 1.00 4.51 C ATOM 401 C GLN A 27 7.630 -25.959 8.077 1.00 2.23 C ATOM 402 O GLN A 27 8.506 -26.753 8.416 1.00 21.25 O ATOM 403 CB GLN A 27 5.205 -25.517 8.555 1.00 41.02 C ATOM 404 CG GLN A 27 3.755 -25.887 8.288 1.00 12.33 C ATOM 405 CD GLN A 27 2.775 -25.147 9.177 1.00 33.35 C ATOM 406 OE1 GLN A 27 1.656 -24.845 8.764 1.00 70.15 O ATOM 407 NE2 GLN A 27 3.164 -24.884 10.417 1.00 42.30 N ATOM 0 H GLN A 27 5.413 -27.859 9.162 1.00 2.23 H new ATOM 0 HA GLN A 27 6.013 -26.426 6.777 1.00 4.51 H new ATOM 0 HB2 GLN A 27 5.390 -25.546 9.629 1.00 41.02 H new ATOM 0 HB3 GLN A 27 5.378 -24.491 8.229 1.00 41.02 H new ATOM 0 HG2 GLN A 27 3.519 -25.676 7.245 1.00 12.33 H new ATOM 0 HG3 GLN A 27 3.628 -26.960 8.433 1.00 12.33 H new ATOM 0 HE21 GLN A 27 4.100 -25.149 10.725 1.00 42.30 H new ATOM 0 HE22 GLN A 27 2.528 -24.417 11.063 1.00 42.30 H new ATOM 416 N VAL A 28 7.850 -24.656 7.859 1.00 40.51 N ATOM 417 CA VAL A 28 9.169 -24.003 7.984 1.00 21.23 C ATOM 418 C VAL A 28 10.226 -24.681 7.106 1.00 20.45 C ATOM 419 O VAL A 28 11.429 -24.448 7.253 1.00 35.23 O ATOM 420 CB VAL A 28 9.669 -23.878 9.460 1.00 75.00 C ATOM 421 CG1 VAL A 28 8.552 -23.380 10.363 1.00 3.34 C ATOM 422 CG2 VAL A 28 10.265 -25.173 10.005 1.00 12.44 C ATOM 0 H VAL A 28 7.108 -24.012 7.586 1.00 40.51 H new ATOM 0 HA VAL A 28 9.021 -22.986 7.622 1.00 21.23 H new ATOM 0 HB VAL A 28 10.477 -23.147 9.451 1.00 75.00 H new ATOM 0 HG11 VAL A 28 8.920 -23.300 11.386 1.00 3.34 H new ATOM 0 HG12 VAL A 28 8.216 -22.401 10.020 1.00 3.34 H new ATOM 0 HG13 VAL A 28 7.718 -24.081 10.331 1.00 3.34 H new ATOM 0 HG21 VAL A 28 10.593 -25.018 11.033 1.00 12.44 H new ATOM 0 HG22 VAL A 28 9.511 -25.960 9.979 1.00 12.44 H new ATOM 0 HG23 VAL A 28 11.118 -25.467 9.393 1.00 12.44 H new ATOM 432 N LYS A 29 9.761 -25.491 6.162 1.00 1.44 N ATOM 433 CA LYS A 29 10.638 -26.136 5.194 1.00 53.22 C ATOM 434 C LYS A 29 10.970 -25.170 4.065 1.00 71.12 C ATOM 435 O LYS A 29 11.899 -25.395 3.289 1.00 33.02 O ATOM 436 CB LYS A 29 9.987 -27.415 4.654 1.00 54.41 C ATOM 437 CG LYS A 29 8.568 -27.214 4.144 1.00 70.52 C ATOM 438 CD LYS A 29 7.889 -28.541 3.840 1.00 33.02 C ATOM 439 CE LYS A 29 6.392 -28.361 3.643 1.00 11.13 C ATOM 440 NZ LYS A 29 5.683 -29.660 3.507 1.00 21.55 N1+ ATOM 0 H LYS A 29 8.773 -25.718 6.047 1.00 1.44 H new ATOM 0 HA LYS A 29 11.568 -26.416 5.688 1.00 53.22 H new ATOM 0 HB2 LYS A 29 10.601 -27.810 3.845 1.00 54.41 H new ATOM 0 HB3 LYS A 29 9.976 -28.167 5.443 1.00 54.41 H new ATOM 0 HG2 LYS A 29 7.987 -26.669 4.888 1.00 70.52 H new ATOM 0 HG3 LYS A 29 8.588 -26.600 3.244 1.00 70.52 H new ATOM 0 HD2 LYS A 29 8.326 -28.979 2.943 1.00 33.02 H new ATOM 0 HD3 LYS A 29 8.069 -29.240 4.657 1.00 33.02 H new ATOM 0 HE2 LYS A 29 5.980 -27.811 4.489 1.00 11.13 H new ATOM 0 HE3 LYS A 29 6.214 -27.757 2.753 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 4.657 -29.505 3.579 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 5.906 -30.082 2.583 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 5.989 -30.304 4.264 1.00 21.55 H new ATOM 454 N ALA A 30 10.207 -24.085 3.995 1.00 52.32 N ATOM 455 CA ALA A 30 10.432 -23.037 3.014 1.00 14.13 C ATOM 456 C ALA A 30 9.742 -21.749 3.444 1.00 61.32 C ATOM 457 O ALA A 30 8.518 -21.712 3.595 1.00 75.11 O ATOM 458 CB ALA A 30 9.933 -23.468 1.647 1.00 4.23 C ATOM 0 H ALA A 30 9.417 -23.910 4.617 1.00 52.32 H new ATOM 0 HA ALA A 30 11.505 -22.854 2.949 1.00 14.13 H new ATOM 0 HB1 ALA A 30 10.111 -22.670 0.927 1.00 4.23 H new ATOM 0 HB2 ALA A 30 10.465 -24.366 1.332 1.00 4.23 H new ATOM 0 HB3 ALA A 30 8.865 -23.679 1.699 1.00 4.23 H new ATOM 464 N ILE A 31 10.532 -20.711 3.671 1.00 25.12 N ATOM 465 CA ILE A 31 10.013 -19.409 4.071 1.00 40.14 C ATOM 466 C ILE A 31 10.773 -18.317 3.323 1.00 74.23 C ATOM 467 O ILE A 31 11.923 -18.517 2.928 1.00 4.24 O ATOM 468 CB ILE A 31 10.157 -19.172 5.600 1.00 34.44 C ATOM 469 CG1 ILE A 31 9.592 -20.352 6.392 1.00 11.21 C ATOM 470 CG2 ILE A 31 9.450 -17.887 6.009 1.00 41.23 C ATOM 471 CD1 ILE A 31 9.791 -20.236 7.889 1.00 3.32 C ATOM 0 H ILE A 31 11.548 -20.745 3.584 1.00 25.12 H new ATOM 0 HA ILE A 31 8.952 -19.381 3.825 1.00 40.14 H new ATOM 0 HB ILE A 31 11.219 -19.080 5.826 1.00 34.44 H new ATOM 0 HG12 ILE A 31 8.526 -20.441 6.183 1.00 11.21 H new ATOM 0 HG13 ILE A 31 10.063 -21.271 6.043 1.00 11.21 H new ATOM 0 HG21 ILE A 31 9.561 -17.737 7.083 1.00 41.23 H new ATOM 0 HG22 ILE A 31 9.891 -17.044 5.477 1.00 41.23 H new ATOM 0 HG23 ILE A 31 8.391 -17.959 5.760 1.00 41.23 H new ATOM 0 HD11 ILE A 31 9.364 -21.110 8.382 1.00 3.32 H new ATOM 0 HD12 ILE A 31 10.857 -20.179 8.111 1.00 3.32 H new ATOM 0 HD13 ILE A 31 9.296 -19.336 8.253 1.00 3.32 H new ATOM 483 N ASN A 32 10.137 -17.177 3.109 1.00 72.34 N ATOM 484 CA ASN A 32 10.784 -16.067 2.423 1.00 15.12 C ATOM 485 C ASN A 32 11.169 -14.976 3.412 1.00 73.04 C ATOM 486 O ASN A 32 12.353 -14.711 3.626 1.00 13.03 O ATOM 487 CB ASN A 32 9.868 -15.505 1.335 1.00 71.30 C ATOM 488 CG ASN A 32 9.654 -16.487 0.204 1.00 3.15 C ATOM 489 OD1 ASN A 32 10.543 -17.267 -0.140 1.00 51.12 O ATOM 490 ND2 ASN A 32 8.464 -16.475 -0.370 1.00 22.03 N ATOM 0 H ASN A 32 9.176 -16.995 3.399 1.00 72.34 H new ATOM 0 HA ASN A 32 11.694 -16.438 1.952 1.00 15.12 H new ATOM 0 HB2 ASN A 32 8.905 -15.243 1.773 1.00 71.30 H new ATOM 0 HB3 ASN A 32 10.299 -14.586 0.939 1.00 71.30 H new ATOM 0 HD21 ASN A 32 8.256 -17.127 -1.126 1.00 22.03 H new ATOM 0 HD22 ASN A 32 7.753 -15.814 -0.057 1.00 22.03 H new ATOM 497 N PHE A 33 10.168 -14.355 4.026 1.00 4.32 N ATOM 498 CA PHE A 33 10.406 -13.281 4.982 1.00 60.13 C ATOM 499 C PHE A 33 9.443 -13.383 6.157 1.00 71.25 C ATOM 500 O PHE A 33 8.229 -13.498 5.965 1.00 43.02 O ATOM 501 CB PHE A 33 10.248 -11.909 4.315 1.00 25.12 C ATOM 502 CG PHE A 33 11.234 -11.638 3.211 1.00 51.52 C ATOM 503 CD1 PHE A 33 10.860 -11.754 1.882 1.00 50.10 C ATOM 504 CD2 PHE A 33 12.536 -11.266 3.507 1.00 1.10 C ATOM 505 CE1 PHE A 33 11.766 -11.503 0.868 1.00 3.21 C ATOM 506 CE2 PHE A 33 13.446 -11.014 2.498 1.00 62.54 C ATOM 507 CZ PHE A 33 13.061 -11.133 1.176 1.00 65.33 C ATOM 0 H PHE A 33 9.184 -14.577 3.878 1.00 4.32 H new ATOM 0 HA PHE A 33 11.429 -13.384 5.345 1.00 60.13 H new ATOM 0 HB2 PHE A 33 9.238 -11.828 3.912 1.00 25.12 H new ATOM 0 HB3 PHE A 33 10.350 -11.135 5.075 1.00 25.12 H new ATOM 0 HD1 PHE A 33 9.849 -12.044 1.635 1.00 50.10 H new ATOM 0 HD2 PHE A 33 12.843 -11.172 4.538 1.00 1.10 H new ATOM 0 HE1 PHE A 33 11.462 -11.596 -0.164 1.00 3.21 H new ATOM 0 HE2 PHE A 33 14.457 -10.724 2.742 1.00 62.54 H new ATOM 0 HZ PHE A 33 13.771 -10.937 0.386 1.00 65.33 H new ATOM 517 N LEU A 34 9.990 -13.356 7.364 1.00 45.21 N ATOM 518 CA LEU A 34 9.181 -13.343 8.576 1.00 44.33 C ATOM 519 C LEU A 34 8.848 -11.900 8.940 1.00 61.32 C ATOM 520 O LEU A 34 9.750 -11.105 9.173 1.00 5.11 O ATOM 521 CB LEU A 34 9.916 -14.013 9.754 1.00 2.10 C ATOM 522 CG LEU A 34 10.124 -15.533 9.662 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.817 -16.237 9.339 1.00 10.42 C ATOM 524 CD2 LEU A 34 11.195 -15.887 8.640 1.00 73.11 C ATOM 0 H LEU A 34 10.996 -13.343 7.531 1.00 45.21 H new ATOM 0 HA LEU A 34 8.268 -13.907 8.384 1.00 44.33 H new ATOM 0 HB2 LEU A 34 10.893 -13.541 9.858 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.360 -13.800 10.667 1.00 2.10 H new ATOM 0 HG LEU A 34 10.469 -15.879 10.636 1.00 42.44 H new ATOM 0 HD11 LEU A 34 8.988 -17.312 9.279 1.00 10.42 H new ATOM 0 HD12 LEU A 34 8.088 -16.029 10.122 1.00 10.42 H new ATOM 0 HD13 LEU A 34 8.436 -15.876 8.384 1.00 10.42 H new ATOM 0 HD21 LEU A 34 11.317 -16.969 8.600 1.00 73.11 H new ATOM 0 HD22 LEU A 34 10.897 -15.519 7.658 1.00 73.11 H new ATOM 0 HD23 LEU A 34 12.140 -15.426 8.928 1.00 73.11 H new ATOM 536 N PRO A 35 7.556 -11.545 8.986 1.00 32.22 N ATOM 537 CA PRO A 35 7.115 -10.168 9.255 1.00 5.03 C ATOM 538 C PRO A 35 7.640 -9.613 10.579 1.00 10.23 C ATOM 539 O PRO A 35 7.911 -10.366 11.521 1.00 63.24 O ATOM 540 CB PRO A 35 5.586 -10.271 9.299 1.00 22.10 C ATOM 541 CG PRO A 35 5.294 -11.726 9.461 1.00 24.21 C ATOM 542 CD PRO A 35 6.417 -12.449 8.778 1.00 34.40 C ATOM 0 HA PRO A 35 7.493 -9.484 8.495 1.00 5.03 H new ATOM 0 HB2 PRO A 35 5.176 -9.693 10.127 1.00 22.10 H new ATOM 0 HB3 PRO A 35 5.139 -9.879 8.385 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.238 -11.998 10.515 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.334 -11.984 9.014 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.593 -13.431 9.218 1.00 34.40 H new ATOM 0 HD3 PRO A 35 6.213 -12.606 7.719 1.00 34.40 H new ATOM 550 N VAL A 36 7.783 -8.290 10.634 1.00 60.55 N ATOM 551 CA VAL A 36 8.237 -7.606 11.839 1.00 53.33 C ATOM 552 C VAL A 36 7.250 -7.812 12.993 1.00 1.10 C ATOM 553 O VAL A 36 6.246 -7.107 13.121 1.00 72.31 O ATOM 554 CB VAL A 36 8.488 -6.096 11.579 1.00 4.21 C ATOM 555 CG1 VAL A 36 7.285 -5.431 10.927 1.00 64.12 C ATOM 556 CG2 VAL A 36 8.867 -5.374 12.866 1.00 25.11 C ATOM 0 H VAL A 36 7.589 -7.668 9.850 1.00 60.55 H new ATOM 0 HA VAL A 36 9.190 -8.049 12.128 1.00 53.33 H new ATOM 0 HB VAL A 36 9.325 -6.023 10.885 1.00 4.21 H new ATOM 0 HG11 VAL A 36 7.499 -4.375 10.761 1.00 64.12 H new ATOM 0 HG12 VAL A 36 7.076 -5.914 9.972 1.00 64.12 H new ATOM 0 HG13 VAL A 36 6.418 -5.527 11.580 1.00 64.12 H new ATOM 0 HG21 VAL A 36 9.037 -4.318 12.654 1.00 25.11 H new ATOM 0 HG22 VAL A 36 8.059 -5.473 13.590 1.00 25.11 H new ATOM 0 HG23 VAL A 36 9.777 -5.813 13.275 1.00 25.11 H new ATOM 566 N ASP A 37 7.552 -8.813 13.803 1.00 75.53 N ATOM 567 CA ASP A 37 6.721 -9.220 14.934 1.00 0.24 C ATOM 568 C ASP A 37 7.287 -10.483 15.543 1.00 61.43 C ATOM 569 O ASP A 37 7.385 -10.610 16.762 1.00 74.15 O ATOM 570 CB ASP A 37 5.272 -9.491 14.508 1.00 1.03 C ATOM 571 CG ASP A 37 4.520 -10.322 15.535 1.00 73.54 C ATOM 572 OD1 ASP A 37 4.131 -9.774 16.588 1.00 11.24 O ATOM 573 OD2 ASP A 37 4.310 -11.531 15.296 1.00 24.30 O1- ATOM 0 H ASP A 37 8.395 -9.378 13.695 1.00 75.53 H new ATOM 0 HA ASP A 37 6.722 -8.404 15.656 1.00 0.24 H new ATOM 0 HB2 ASP A 37 4.755 -8.543 14.360 1.00 1.03 H new ATOM 0 HB3 ASP A 37 5.267 -10.009 13.549 1.00 1.03 H new ATOM 578 N TYR A 38 7.671 -11.406 14.668 1.00 64.13 N ATOM 579 CA TYR A 38 8.154 -12.717 15.075 1.00 64.04 C ATOM 580 C TYR A 38 9.240 -12.636 16.134 1.00 13.41 C ATOM 581 O TYR A 38 10.266 -11.976 15.952 1.00 72.14 O ATOM 582 CB TYR A 38 8.666 -13.501 13.867 1.00 31.23 C ATOM 583 CG TYR A 38 7.633 -14.430 13.273 1.00 53.15 C ATOM 584 CD1 TYR A 38 7.473 -15.714 13.774 1.00 63.21 C ATOM 585 CD2 TYR A 38 6.822 -14.030 12.219 1.00 42.20 C ATOM 586 CE1 TYR A 38 6.537 -16.576 13.243 1.00 51.34 C ATOM 587 CE2 TYR A 38 5.879 -14.887 11.681 1.00 74.11 C ATOM 588 CZ TYR A 38 5.742 -16.160 12.198 1.00 52.12 C ATOM 589 OH TYR A 38 4.812 -17.022 11.665 1.00 52.04 O ATOM 0 H TYR A 38 7.656 -11.265 13.658 1.00 64.13 H new ATOM 0 HA TYR A 38 7.305 -13.239 15.516 1.00 64.04 H new ATOM 0 HB2 TYR A 38 8.996 -12.799 13.101 1.00 31.23 H new ATOM 0 HB3 TYR A 38 9.539 -14.082 14.164 1.00 31.23 H new ATOM 0 HD1 TYR A 38 8.093 -16.044 14.595 1.00 63.21 H new ATOM 0 HD2 TYR A 38 6.929 -13.035 11.813 1.00 42.20 H new ATOM 0 HE1 TYR A 38 6.428 -17.573 13.645 1.00 51.34 H new ATOM 0 HE2 TYR A 38 5.254 -14.563 10.862 1.00 74.11 H new ATOM 0 HH TYR A 38 4.332 -16.576 10.936 1.00 52.04 H new ATOM 599 N GLU A 39 8.977 -13.293 17.251 1.00 24.42 N ATOM 600 CA GLU A 39 9.959 -13.463 18.304 1.00 12.31 C ATOM 601 C GLU A 39 10.301 -14.939 18.413 1.00 14.54 C ATOM 602 O GLU A 39 9.537 -15.718 18.983 1.00 3.41 O ATOM 603 CB GLU A 39 9.412 -12.948 19.636 1.00 45.13 C ATOM 604 CG GLU A 39 8.931 -11.511 19.574 1.00 72.52 C ATOM 605 CD GLU A 39 8.237 -11.071 20.845 1.00 31.14 C ATOM 606 OE1 GLU A 39 8.888 -10.417 21.685 1.00 5.53 O ATOM 607 OE2 GLU A 39 7.034 -11.373 21.006 1.00 51.15 O1- ATOM 0 H GLU A 39 8.074 -13.724 17.452 1.00 24.42 H new ATOM 0 HA GLU A 39 10.855 -12.890 18.065 1.00 12.31 H new ATOM 0 HB2 GLU A 39 8.587 -13.586 19.953 1.00 45.13 H new ATOM 0 HB3 GLU A 39 10.189 -13.031 20.396 1.00 45.13 H new ATOM 0 HG2 GLU A 39 9.781 -10.856 19.384 1.00 72.52 H new ATOM 0 HG3 GLU A 39 8.247 -11.397 18.733 1.00 72.52 H new ATOM 614 N ILE A 40 11.423 -15.329 17.831 1.00 4.54 N ATOM 615 CA ILE A 40 11.801 -16.733 17.795 1.00 42.33 C ATOM 616 C ILE A 40 12.650 -17.108 19.001 1.00 75.11 C ATOM 617 O ILE A 40 13.467 -16.314 19.479 1.00 0.45 O ATOM 618 CB ILE A 40 12.558 -17.101 16.500 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.804 -16.232 16.328 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.638 -16.966 15.296 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.640 -16.595 15.118 1.00 11.34 C ATOM 0 H ILE A 40 12.085 -14.698 17.379 1.00 4.54 H new ATOM 0 HA ILE A 40 10.871 -17.300 17.820 1.00 42.33 H new ATOM 0 HB ILE A 40 12.882 -18.139 16.576 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.500 -15.188 16.248 1.00 63.20 H new ATOM 0 HG13 ILE A 40 14.421 -16.316 17.223 1.00 63.20 H new ATOM 0 HG21 ILE A 40 12.184 -17.228 14.390 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.786 -17.635 15.413 1.00 63.11 H new ATOM 0 HG23 ILE A 40 11.284 -15.938 15.222 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.506 -15.935 15.063 1.00 11.34 H new ATOM 0 HD12 ILE A 40 14.976 -17.628 15.205 1.00 11.34 H new ATOM 0 HD13 ILE A 40 14.040 -16.483 14.215 1.00 11.34 H new ATOM 633 N GLU A 41 12.441 -18.317 19.489 1.00 61.12 N ATOM 634 CA GLU A 41 13.170 -18.820 20.637 1.00 13.03 C ATOM 635 C GLU A 41 14.138 -19.914 20.209 1.00 60.15 C ATOM 636 O GLU A 41 13.791 -20.777 19.398 1.00 54.15 O ATOM 637 CB GLU A 41 12.191 -19.359 21.684 1.00 74.33 C ATOM 638 CG GLU A 41 12.865 -20.005 22.884 1.00 15.40 C ATOM 639 CD GLU A 41 11.881 -20.535 23.904 1.00 2.52 C ATOM 640 OE1 GLU A 41 11.703 -19.886 24.951 1.00 21.53 O ATOM 641 OE2 GLU A 41 11.295 -21.611 23.675 1.00 65.45 O1- ATOM 0 H GLU A 41 11.764 -18.975 19.102 1.00 61.12 H new ATOM 0 HA GLU A 41 13.742 -18.003 21.077 1.00 13.03 H new ATOM 0 HB2 GLU A 41 11.559 -18.541 22.031 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.535 -20.090 21.211 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.499 -20.823 22.541 1.00 15.40 H new ATOM 0 HG3 GLU A 41 13.518 -19.275 23.363 1.00 15.40 H new ATOM 648 N TYR A 42 15.354 -19.862 20.740 1.00 75.13 N ATOM 649 CA TYR A 42 16.342 -20.899 20.491 1.00 70.02 C ATOM 650 C TYR A 42 16.156 -22.040 21.471 1.00 70.13 C ATOM 651 O TYR A 42 16.557 -21.948 22.631 1.00 31.24 O ATOM 652 CB TYR A 42 17.765 -20.354 20.614 1.00 71.13 C ATOM 653 CG TYR A 42 18.142 -19.367 19.535 1.00 14.45 C ATOM 654 CD1 TYR A 42 18.574 -19.805 18.291 1.00 42.45 C ATOM 655 CD2 TYR A 42 18.080 -18.003 19.765 1.00 74.53 C ATOM 656 CE1 TYR A 42 18.928 -18.906 17.302 1.00 52.40 C ATOM 657 CE2 TYR A 42 18.430 -17.100 18.781 1.00 60.14 C ATOM 658 CZ TYR A 42 18.855 -17.555 17.554 1.00 71.20 C ATOM 659 OH TYR A 42 19.206 -16.654 16.572 1.00 33.12 O ATOM 0 H TYR A 42 15.678 -19.109 21.347 1.00 75.13 H new ATOM 0 HA TYR A 42 16.196 -21.258 19.472 1.00 70.02 H new ATOM 0 HB2 TYR A 42 17.876 -19.873 21.586 1.00 71.13 H new ATOM 0 HB3 TYR A 42 18.466 -21.189 20.589 1.00 71.13 H new ATOM 0 HD1 TYR A 42 18.635 -20.865 18.092 1.00 42.45 H new ATOM 0 HD2 TYR A 42 17.753 -17.640 20.728 1.00 74.53 H new ATOM 0 HE1 TYR A 42 19.260 -19.262 16.338 1.00 52.40 H new ATOM 0 HE2 TYR A 42 18.370 -16.039 18.974 1.00 60.14 H new ATOM 0 HH TYR A 42 19.020 -17.041 15.691 1.00 33.12 H new ATOM 669 N VAL A 43 15.521 -23.099 21.012 1.00 14.33 N ATOM 670 CA VAL A 43 15.292 -24.261 21.848 1.00 13.01 C ATOM 671 C VAL A 43 16.298 -25.349 21.520 1.00 43.53 C ATOM 672 O VAL A 43 16.947 -25.307 20.478 1.00 23.35 O ATOM 673 CB VAL A 43 13.866 -24.822 21.665 1.00 2.42 C ATOM 674 CG1 VAL A 43 12.826 -23.781 22.035 1.00 12.10 C ATOM 675 CG2 VAL A 43 13.647 -25.311 20.238 1.00 10.23 C ATOM 0 H VAL A 43 15.154 -23.180 20.064 1.00 14.33 H new ATOM 0 HA VAL A 43 15.409 -23.944 22.884 1.00 13.01 H new ATOM 0 HB VAL A 43 13.755 -25.674 22.336 1.00 2.42 H new ATOM 0 HG11 VAL A 43 11.829 -24.199 21.898 1.00 12.10 H new ATOM 0 HG12 VAL A 43 12.958 -23.490 23.077 1.00 12.10 H new ATOM 0 HG13 VAL A 43 12.944 -22.906 21.396 1.00 12.10 H new ATOM 0 HG21 VAL A 43 12.634 -25.701 20.138 1.00 10.23 H new ATOM 0 HG22 VAL A 43 13.787 -24.482 19.544 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.363 -26.100 20.010 1.00 10.23 H new ATOM 685 N CYS A 44 16.437 -26.316 22.406 1.00 44.41 N ATOM 686 CA CYS A 44 17.260 -27.472 22.116 1.00 33.42 C ATOM 687 C CYS A 44 16.374 -28.528 21.471 1.00 23.24 C ATOM 688 O CYS A 44 15.188 -28.610 21.791 1.00 51.42 O ATOM 689 CB CYS A 44 17.915 -27.999 23.392 1.00 2.24 C ATOM 690 SG CYS A 44 19.473 -28.902 23.113 1.00 3.51 S ATOM 0 H CYS A 44 15.994 -26.324 23.325 1.00 44.41 H new ATOM 0 HA CYS A 44 18.066 -27.203 21.433 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.109 -27.160 24.061 1.00 2.24 H new ATOM 0 HB3 CYS A 44 17.212 -28.658 23.902 1.00 2.24 H new ATOM 695 N ARG A 45 16.933 -29.318 20.561 1.00 62.05 N ATOM 696 CA ARG A 45 16.131 -30.229 19.743 1.00 5.01 C ATOM 697 C ARG A 45 15.371 -31.224 20.619 1.00 54.03 C ATOM 698 O ARG A 45 15.960 -32.122 21.222 1.00 24.32 O ATOM 699 CB ARG A 45 17.024 -30.969 18.736 1.00 71.44 C ATOM 700 CG ARG A 45 16.294 -31.449 17.484 1.00 42.32 C ATOM 701 CD ARG A 45 15.376 -32.633 17.760 1.00 12.32 C ATOM 702 NE ARG A 45 14.591 -32.999 16.581 1.00 32.41 N ATOM 703 CZ ARG A 45 14.257 -34.250 16.260 1.00 70.05 C ATOM 704 NH1 ARG A 45 14.643 -35.267 17.022 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 13.532 -34.480 15.176 1.00 35.41 N ATOM 0 H ARG A 45 17.934 -29.348 20.369 1.00 62.05 H new ATOM 0 HA ARG A 45 15.400 -29.638 19.192 1.00 5.01 H new ATOM 0 HB2 ARG A 45 17.839 -30.309 18.437 1.00 71.44 H new ATOM 0 HB3 ARG A 45 17.475 -31.829 19.231 1.00 71.44 H new ATOM 0 HG2 ARG A 45 15.708 -30.628 17.072 1.00 42.32 H new ATOM 0 HG3 ARG A 45 17.026 -31.730 16.726 1.00 42.32 H new ATOM 0 HD2 ARG A 45 15.972 -33.488 18.080 1.00 12.32 H new ATOM 0 HD3 ARG A 45 14.704 -32.388 18.582 1.00 12.32 H new ATOM 0 HE ARG A 45 14.279 -32.249 15.964 1.00 32.41 H new ATOM 0 HH11 ARG A 45 15.199 -35.094 17.860 1.00 54.35 H new ATOM 0 HH12 ARG A 45 14.383 -36.221 16.770 1.00 54.35 H new ATOM 0 HH21 ARG A 45 13.231 -33.702 14.589 1.00 35.41 H new ATOM 0 HH22 ARG A 45 13.275 -35.435 14.928 1.00 35.41 H new ATOM 719 N GLY A 46 14.062 -31.040 20.694 1.00 62.21 N ATOM 720 CA GLY A 46 13.224 -31.932 21.467 1.00 35.13 C ATOM 721 C GLY A 46 12.870 -31.351 22.820 1.00 50.42 C ATOM 722 O GLY A 46 12.565 -30.161 22.935 1.00 24.32 O ATOM 0 H GLY A 46 13.562 -30.282 20.229 1.00 62.21 H new ATOM 0 HA2 GLY A 46 12.309 -32.141 20.912 1.00 35.13 H new ATOM 0 HA3 GLY A 46 13.738 -32.883 21.605 1.00 35.13 H new ATOM 726 N GLU A 47 12.931 -32.187 23.841 1.00 62.41 N ATOM 727 CA GLU A 47 12.605 -31.782 25.201 1.00 21.42 C ATOM 728 C GLU A 47 13.883 -31.533 26.000 1.00 12.53 C ATOM 729 O GLU A 47 13.937 -31.763 27.207 1.00 4.41 O ATOM 730 CB GLU A 47 11.730 -32.848 25.892 1.00 22.13 C ATOM 731 CG GLU A 47 12.327 -34.256 25.909 1.00 11.01 C ATOM 732 CD GLU A 47 12.332 -34.922 24.547 1.00 54.23 C ATOM 733 OE1 GLU A 47 13.363 -34.835 23.842 1.00 31.03 O ATOM 734 OE2 GLU A 47 11.309 -35.526 24.169 1.00 71.43 O1- ATOM 0 H GLU A 47 13.207 -33.165 23.753 1.00 62.41 H new ATOM 0 HA GLU A 47 12.037 -30.853 25.158 1.00 21.42 H new ATOM 0 HB2 GLU A 47 11.544 -32.535 26.919 1.00 22.13 H new ATOM 0 HB3 GLU A 47 10.763 -32.885 25.390 1.00 22.13 H new ATOM 0 HG2 GLU A 47 13.349 -34.205 26.285 1.00 11.01 H new ATOM 0 HG3 GLU A 47 11.762 -34.874 26.606 1.00 11.01 H new ATOM 741 N ARG A 48 14.907 -31.042 25.313 1.00 3.22 N ATOM 742 CA ARG A 48 16.185 -30.750 25.950 1.00 11.31 C ATOM 743 C ARG A 48 16.188 -29.319 26.481 1.00 51.34 C ATOM 744 O ARG A 48 15.599 -28.423 25.874 1.00 74.21 O ATOM 745 CB ARG A 48 17.336 -30.942 24.957 1.00 14.32 C ATOM 746 CG ARG A 48 17.331 -32.295 24.261 1.00 42.31 C ATOM 747 CD ARG A 48 17.447 -33.442 25.252 1.00 42.54 C ATOM 748 NE ARG A 48 18.682 -33.373 26.037 1.00 62.44 N ATOM 749 CZ ARG A 48 18.911 -34.106 27.127 1.00 10.24 C ATOM 750 NH1 ARG A 48 17.994 -34.964 27.555 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 20.064 -33.987 27.778 1.00 20.12 N ATOM 0 H ARG A 48 14.877 -30.838 24.314 1.00 3.22 H new ATOM 0 HA ARG A 48 16.325 -31.440 26.782 1.00 11.31 H new ATOM 0 HB2 ARG A 48 17.287 -30.156 24.203 1.00 14.32 H new ATOM 0 HB3 ARG A 48 18.282 -30.819 25.484 1.00 14.32 H new ATOM 0 HG2 ARG A 48 16.412 -32.404 23.685 1.00 42.31 H new ATOM 0 HG3 ARG A 48 18.158 -32.342 23.553 1.00 42.31 H new ATOM 0 HD2 ARG A 48 16.590 -33.427 25.925 1.00 42.54 H new ATOM 0 HD3 ARG A 48 17.413 -34.389 24.714 1.00 42.54 H new ATOM 0 HE ARG A 48 19.409 -32.726 25.732 1.00 62.44 H new ATOM 0 HH11 ARG A 48 17.113 -35.063 27.050 1.00 25.54 H new ATOM 0 HH12 ARG A 48 18.170 -35.524 28.389 1.00 25.54 H new ATOM 0 HH21 ARG A 48 20.774 -33.335 27.444 1.00 20.12 H new ATOM 0 HH22 ARG A 48 20.239 -34.548 28.612 1.00 20.12 H new ATOM 765 N GLU A 49 16.858 -29.108 27.606 1.00 44.11 N ATOM 766 CA GLU A 49 16.835 -27.815 28.279 1.00 30.02 C ATOM 767 C GLU A 49 17.976 -26.908 27.825 1.00 63.13 C ATOM 768 O GLU A 49 19.065 -27.373 27.485 1.00 72.31 O ATOM 769 CB GLU A 49 16.907 -28.007 29.790 1.00 5.24 C ATOM 770 CG GLU A 49 15.720 -28.760 30.367 1.00 21.11 C ATOM 771 CD GLU A 49 15.779 -28.862 31.876 1.00 74.41 C ATOM 772 OE1 GLU A 49 15.437 -27.872 32.554 1.00 50.41 O ATOM 773 OE2 GLU A 49 16.171 -29.928 32.393 1.00 41.04 O1- ATOM 0 H GLU A 49 17.425 -29.816 28.073 1.00 44.11 H new ATOM 0 HA GLU A 49 15.896 -27.330 28.010 1.00 30.02 H new ATOM 0 HB2 GLU A 49 17.822 -28.546 30.036 1.00 5.24 H new ATOM 0 HB3 GLU A 49 16.974 -27.030 30.269 1.00 5.24 H new ATOM 0 HG2 GLU A 49 14.798 -28.257 30.075 1.00 21.11 H new ATOM 0 HG3 GLU A 49 15.686 -29.762 29.939 1.00 21.11 H new ATOM 780 N VAL A 50 17.711 -25.609 27.844 1.00 34.14 N ATOM 781 CA VAL A 50 18.698 -24.600 27.482 1.00 54.31 C ATOM 782 C VAL A 50 18.617 -23.422 28.439 1.00 4.42 C ATOM 783 O VAL A 50 17.553 -23.135 28.991 1.00 41.03 O ATOM 784 CB VAL A 50 18.496 -24.064 26.044 1.00 15.41 C ATOM 785 CG1 VAL A 50 18.891 -25.102 25.011 1.00 14.02 C ATOM 786 CG2 VAL A 50 17.057 -23.615 25.830 1.00 31.42 C ATOM 0 H VAL A 50 16.805 -25.224 28.111 1.00 34.14 H new ATOM 0 HA VAL A 50 19.672 -25.085 27.540 1.00 54.31 H new ATOM 0 HB VAL A 50 19.147 -23.199 25.918 1.00 15.41 H new ATOM 0 HG11 VAL A 50 18.738 -24.697 24.011 1.00 14.02 H new ATOM 0 HG12 VAL A 50 19.941 -25.363 25.140 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.278 -25.994 25.139 1.00 14.02 H new ATOM 0 HG21 VAL A 50 16.940 -23.242 24.812 1.00 31.42 H new ATOM 0 HG22 VAL A 50 16.385 -24.459 25.987 1.00 31.42 H new ATOM 0 HG23 VAL A 50 16.814 -22.822 26.537 1.00 31.42 H new ATOM 796 N VAL A 51 19.739 -22.753 28.651 1.00 23.20 N ATOM 797 CA VAL A 51 19.741 -21.500 29.386 1.00 2.24 C ATOM 798 C VAL A 51 20.622 -20.485 28.663 1.00 12.52 C ATOM 799 O VAL A 51 21.849 -20.495 28.766 1.00 73.23 O ATOM 800 CB VAL A 51 20.183 -21.683 30.862 1.00 35.20 C ATOM 801 CG1 VAL A 51 21.472 -22.478 30.961 1.00 24.00 C ATOM 802 CG2 VAL A 51 20.326 -20.337 31.563 1.00 4.13 C ATOM 0 H VAL A 51 20.657 -23.056 28.325 1.00 23.20 H new ATOM 0 HA VAL A 51 18.718 -21.125 29.420 1.00 2.24 H new ATOM 0 HB VAL A 51 19.401 -22.250 31.368 1.00 35.20 H new ATOM 0 HG11 VAL A 51 21.753 -22.587 32.009 1.00 24.00 H new ATOM 0 HG12 VAL A 51 21.326 -23.464 30.520 1.00 24.00 H new ATOM 0 HG13 VAL A 51 22.264 -21.955 30.426 1.00 24.00 H new ATOM 0 HG21 VAL A 51 20.637 -20.496 32.596 1.00 4.13 H new ATOM 0 HG22 VAL A 51 21.075 -19.736 31.047 1.00 4.13 H new ATOM 0 HG23 VAL A 51 19.369 -19.816 31.548 1.00 4.13 H new ATOM 812 N GLY A 52 19.964 -19.647 27.884 1.00 43.00 N ATOM 813 CA GLY A 52 20.641 -18.653 27.086 1.00 12.21 C ATOM 814 C GLY A 52 19.735 -17.472 26.827 1.00 21.54 C ATOM 815 O GLY A 52 18.556 -17.526 27.174 1.00 21.14 O ATOM 0 H GLY A 52 18.948 -19.639 27.790 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.544 -18.320 27.599 1.00 12.21 H new ATOM 0 HA3 GLY A 52 20.956 -19.092 26.139 1.00 12.21 H new ATOM 819 N PRO A 53 20.242 -16.391 26.221 1.00 41.45 N ATOM 820 CA PRO A 53 19.415 -15.236 25.874 1.00 13.20 C ATOM 821 C PRO A 53 18.581 -15.523 24.624 1.00 34.33 C ATOM 822 O PRO A 53 18.659 -14.805 23.622 1.00 53.40 O ATOM 823 CB PRO A 53 20.446 -14.139 25.612 1.00 30.31 C ATOM 824 CG PRO A 53 21.670 -14.859 25.149 1.00 70.42 C ATOM 825 CD PRO A 53 21.644 -16.225 25.789 1.00 22.42 C ATOM 0 HA PRO A 53 18.697 -14.968 26.650 1.00 13.20 H new ATOM 0 HB2 PRO A 53 20.092 -13.437 24.857 1.00 30.31 H new ATOM 0 HB3 PRO A 53 20.646 -13.562 26.515 1.00 30.31 H new ATOM 0 HG2 PRO A 53 21.681 -14.942 24.062 1.00 70.42 H new ATOM 0 HG3 PRO A 53 22.570 -14.315 25.436 1.00 70.42 H new ATOM 0 HD2 PRO A 53 21.939 -17.002 25.084 1.00 22.42 H new ATOM 0 HD3 PRO A 53 22.331 -16.283 26.633 1.00 22.42 H new ATOM 833 N LYS A 54 17.781 -16.584 24.703 1.00 53.33 N ATOM 834 CA LYS A 54 17.036 -17.079 23.559 1.00 53.43 C ATOM 835 C LYS A 54 15.821 -16.207 23.260 1.00 54.24 C ATOM 836 O LYS A 54 14.717 -16.450 23.750 1.00 72.35 O ATOM 837 CB LYS A 54 16.614 -18.538 23.789 1.00 14.34 C ATOM 838 CG LYS A 54 15.930 -18.794 25.131 1.00 2.25 C ATOM 839 CD LYS A 54 15.465 -20.238 25.250 1.00 62.01 C ATOM 840 CE LYS A 54 14.821 -20.525 26.598 1.00 22.54 C ATOM 841 NZ LYS A 54 13.578 -19.735 26.813 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.635 -17.119 25.559 1.00 53.33 H new ATOM 0 HA LYS A 54 17.691 -17.035 22.689 1.00 53.43 H new ATOM 0 HB2 LYS A 54 15.939 -18.839 22.988 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.496 -19.174 23.718 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.620 -18.564 25.943 1.00 2.25 H new ATOM 0 HG3 LYS A 54 15.076 -18.125 25.240 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.752 -20.455 24.455 1.00 62.01 H new ATOM 0 HD3 LYS A 54 16.315 -20.905 25.106 1.00 62.01 H new ATOM 0 HE2 LYS A 54 14.589 -21.588 26.668 1.00 22.54 H new ATOM 0 HE3 LYS A 54 15.533 -20.301 27.393 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 12.964 -20.231 27.491 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 13.823 -18.797 27.190 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 13.076 -19.624 25.909 1.00 20.32 H new ATOM 855 N VAL A 55 16.047 -15.172 22.473 1.00 2.14 N ATOM 856 CA VAL A 55 14.974 -14.339 21.969 1.00 11.43 C ATOM 857 C VAL A 55 15.466 -13.522 20.780 1.00 43.22 C ATOM 858 O VAL A 55 16.513 -12.873 20.847 1.00 65.24 O ATOM 859 CB VAL A 55 14.401 -13.403 23.068 1.00 34.24 C ATOM 860 CG1 VAL A 55 15.484 -12.513 23.664 1.00 71.14 C ATOM 861 CG2 VAL A 55 13.253 -12.564 22.517 1.00 74.12 C ATOM 0 H VAL A 55 16.977 -14.886 22.166 1.00 2.14 H new ATOM 0 HA VAL A 55 14.165 -14.996 21.648 1.00 11.43 H new ATOM 0 HB VAL A 55 14.014 -14.032 23.870 1.00 34.24 H new ATOM 0 HG11 VAL A 55 15.047 -11.871 24.429 1.00 71.14 H new ATOM 0 HG12 VAL A 55 16.260 -13.134 24.111 1.00 71.14 H new ATOM 0 HG13 VAL A 55 15.920 -11.896 22.879 1.00 71.14 H new ATOM 0 HG21 VAL A 55 12.866 -11.916 23.303 1.00 74.12 H new ATOM 0 HG22 VAL A 55 13.613 -11.954 21.688 1.00 74.12 H new ATOM 0 HG23 VAL A 55 12.458 -13.222 22.165 1.00 74.12 H new ATOM 871 N ARG A 56 14.734 -13.577 19.685 1.00 3.44 N ATOM 872 CA ARG A 56 15.046 -12.764 18.524 1.00 30.34 C ATOM 873 C ARG A 56 13.800 -12.043 18.059 1.00 34.22 C ATOM 874 O ARG A 56 12.785 -12.675 17.779 1.00 45.24 O ATOM 875 CB ARG A 56 15.585 -13.609 17.372 1.00 31.13 C ATOM 876 CG ARG A 56 16.858 -14.369 17.682 1.00 60.22 C ATOM 877 CD ARG A 56 18.012 -13.437 18.001 1.00 12.52 C ATOM 878 NE ARG A 56 19.292 -14.132 17.924 1.00 73.32 N ATOM 879 CZ ARG A 56 20.359 -13.828 18.654 1.00 41.54 C ATOM 880 NH1 ARG A 56 20.287 -12.909 19.611 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 21.500 -14.462 18.439 1.00 53.04 N ATOM 0 H ARG A 56 13.917 -14.177 19.574 1.00 3.44 H new ATOM 0 HA ARG A 56 15.815 -12.050 18.818 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.817 -14.322 17.073 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.766 -12.958 16.517 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.686 -15.036 18.527 1.00 60.22 H new ATOM 0 HG3 ARG A 56 17.123 -14.996 16.830 1.00 60.22 H new ATOM 0 HD2 ARG A 56 18.008 -12.599 17.304 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.881 -13.021 19.000 1.00 12.52 H new ATOM 0 HE ARG A 56 19.373 -14.905 17.264 1.00 73.32 H new ATOM 0 HH11 ARG A 56 19.405 -12.429 19.791 1.00 41.24 H new ATOM 0 HH12 ARG A 56 21.113 -12.684 20.165 1.00 41.24 H new ATOM 0 HH21 ARG A 56 21.556 -15.179 17.716 1.00 53.04 H new ATOM 0 HH22 ARG A 56 22.323 -14.233 18.996 1.00 53.04 H new ATOM 895 N LYS A 57 13.875 -10.732 17.982 1.00 33.31 N ATOM 896 CA LYS A 57 12.753 -9.940 17.525 1.00 4.11 C ATOM 897 C LYS A 57 13.017 -9.454 16.110 1.00 15.33 C ATOM 898 O LYS A 57 14.033 -8.813 15.849 1.00 3.22 O ATOM 899 CB LYS A 57 12.521 -8.758 18.467 1.00 43.11 C ATOM 900 CG LYS A 57 11.286 -7.931 18.138 1.00 71.30 C ATOM 901 CD LYS A 57 11.062 -6.848 19.180 1.00 14.43 C ATOM 902 CE LYS A 57 10.784 -7.445 20.551 1.00 11.33 C ATOM 903 NZ LYS A 57 9.414 -8.014 20.648 1.00 52.31 N1+ ATOM 0 H LYS A 57 14.703 -10.191 18.230 1.00 33.31 H new ATOM 0 HA LYS A 57 11.854 -10.556 17.525 1.00 4.11 H new ATOM 0 HB2 LYS A 57 12.433 -9.133 19.487 1.00 43.11 H new ATOM 0 HB3 LYS A 57 13.397 -8.109 18.440 1.00 43.11 H new ATOM 0 HG2 LYS A 57 11.400 -7.476 17.154 1.00 71.30 H new ATOM 0 HG3 LYS A 57 10.412 -8.580 18.089 1.00 71.30 H new ATOM 0 HD2 LYS A 57 11.940 -6.205 19.233 1.00 14.43 H new ATOM 0 HD3 LYS A 57 10.224 -6.219 18.879 1.00 14.43 H new ATOM 0 HE2 LYS A 57 11.515 -8.225 20.761 1.00 11.33 H new ATOM 0 HE3 LYS A 57 10.911 -6.676 21.313 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 9.421 -8.829 21.294 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 8.762 -7.290 21.012 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 9.099 -8.322 19.706 1.00 52.31 H new ATOM 917 N CYS A 58 12.122 -9.789 15.200 1.00 72.13 N ATOM 918 CA CYS A 58 12.271 -9.390 13.811 1.00 62.31 C ATOM 919 C CYS A 58 11.956 -7.909 13.641 1.00 74.10 C ATOM 920 O CYS A 58 11.051 -7.379 14.288 1.00 14.35 O ATOM 921 CB CYS A 58 11.363 -10.227 12.912 1.00 65.03 C ATOM 922 SG CYS A 58 11.568 -9.883 11.137 1.00 34.12 S ATOM 0 H CYS A 58 11.284 -10.336 15.396 1.00 72.13 H new ATOM 0 HA CYS A 58 13.307 -9.561 13.518 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.562 -11.283 13.093 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.325 -10.046 13.190 1.00 65.03 H new ATOM 927 N LEU A 59 12.711 -7.254 12.771 1.00 20.31 N ATOM 928 CA LEU A 59 12.536 -5.835 12.495 1.00 35.20 C ATOM 929 C LEU A 59 12.423 -5.619 10.990 1.00 35.41 C ATOM 930 O LEU A 59 12.472 -6.581 10.222 1.00 75.32 O ATOM 931 CB LEU A 59 13.706 -5.029 13.073 1.00 75.13 C ATOM 932 CG LEU A 59 13.863 -5.113 14.594 1.00 73.02 C ATOM 933 CD1 LEU A 59 15.109 -4.370 15.042 1.00 24.20 C ATOM 934 CD2 LEU A 59 12.629 -4.554 15.291 1.00 11.24 C ATOM 0 H LEU A 59 13.462 -7.691 12.237 1.00 20.31 H new ATOM 0 HA LEU A 59 11.620 -5.487 12.972 1.00 35.20 H new ATOM 0 HB2 LEU A 59 14.630 -5.374 12.608 1.00 75.13 H new ATOM 0 HB3 LEU A 59 13.580 -3.983 12.793 1.00 75.13 H new ATOM 0 HG LEU A 59 13.969 -6.162 14.871 1.00 73.02 H new ATOM 0 HD11 LEU A 59 15.205 -4.440 16.126 1.00 24.20 H new ATOM 0 HD12 LEU A 59 15.986 -4.813 14.571 1.00 24.20 H new ATOM 0 HD13 LEU A 59 15.032 -3.322 14.752 1.00 24.20 H new ATOM 0 HD21 LEU A 59 12.759 -4.622 16.371 1.00 11.24 H new ATOM 0 HD22 LEU A 59 12.492 -3.511 15.007 1.00 11.24 H new ATOM 0 HD23 LEU A 59 11.752 -5.129 14.994 1.00 11.24 H new ATOM 946 N ALA A 60 12.274 -4.371 10.564 1.00 33.55 N ATOM 947 CA ALA A 60 12.106 -4.059 9.147 1.00 14.42 C ATOM 948 C ALA A 60 13.437 -4.108 8.397 1.00 34.01 C ATOM 949 O ALA A 60 13.885 -3.114 7.817 1.00 3.23 O ATOM 950 CB ALA A 60 11.437 -2.702 8.977 1.00 21.55 C ATOM 0 H ALA A 60 12.266 -3.557 11.178 1.00 33.55 H new ATOM 0 HA ALA A 60 11.460 -4.822 8.712 1.00 14.42 H new ATOM 0 HB1 ALA A 60 11.319 -2.485 7.915 1.00 21.55 H new ATOM 0 HB2 ALA A 60 10.458 -2.717 9.455 1.00 21.55 H new ATOM 0 HB3 ALA A 60 12.055 -1.932 9.439 1.00 21.55 H new ATOM 956 N ASN A 61 14.070 -5.270 8.434 1.00 62.21 N ATOM 957 CA ASN A 61 15.298 -5.526 7.695 1.00 25.33 C ATOM 958 C ASN A 61 15.486 -7.031 7.562 1.00 24.31 C ATOM 959 O ASN A 61 14.834 -7.800 8.263 1.00 33.40 O ATOM 960 CB ASN A 61 16.513 -4.869 8.379 1.00 32.31 C ATOM 961 CG ASN A 61 16.747 -5.357 9.798 1.00 74.35 C ATOM 962 OD1 ASN A 61 16.165 -4.838 10.751 1.00 1.31 O ATOM 963 ND2 ASN A 61 17.643 -6.315 9.958 1.00 4.55 N ATOM 0 H ASN A 61 13.745 -6.067 8.981 1.00 62.21 H new ATOM 0 HA ASN A 61 15.220 -5.082 6.703 1.00 25.33 H new ATOM 0 HB2 ASN A 61 17.405 -5.065 7.784 1.00 32.31 H new ATOM 0 HB3 ASN A 61 16.371 -3.788 8.394 1.00 32.31 H new ATOM 0 HD21 ASN A 61 17.872 -6.648 10.895 1.00 4.55 H new ATOM 0 HD22 ASN A 61 18.105 -6.722 9.145 1.00 4.55 H new ATOM 970 N GLY A 62 16.372 -7.456 6.671 1.00 21.23 N ATOM 971 CA GLY A 62 16.544 -8.877 6.416 1.00 43.34 C ATOM 972 C GLY A 62 17.417 -9.565 7.449 1.00 30.15 C ATOM 973 O GLY A 62 18.226 -10.427 7.110 1.00 74.22 O ATOM 0 H GLY A 62 16.975 -6.845 6.120 1.00 21.23 H new ATOM 0 HA2 GLY A 62 15.566 -9.358 6.397 1.00 43.34 H new ATOM 0 HA3 GLY A 62 16.985 -9.012 5.428 1.00 43.34 H new ATOM 977 N SER A 63 17.242 -9.198 8.709 1.00 32.44 N ATOM 978 CA SER A 63 18.026 -9.759 9.795 1.00 55.04 C ATOM 979 C SER A 63 17.314 -9.497 11.115 1.00 64.31 C ATOM 980 O SER A 63 16.431 -8.645 11.190 1.00 34.44 O ATOM 981 CB SER A 63 19.433 -9.151 9.813 1.00 2.41 C ATOM 982 OG SER A 63 20.252 -9.774 10.787 1.00 62.04 O ATOM 0 H SER A 63 16.555 -8.505 9.006 1.00 32.44 H new ATOM 0 HA SER A 63 18.127 -10.834 9.648 1.00 55.04 H new ATOM 0 HB2 SER A 63 19.890 -9.257 8.829 1.00 2.41 H new ATOM 0 HB3 SER A 63 19.367 -8.083 10.020 1.00 2.41 H new ATOM 0 HG SER A 63 21.143 -9.367 10.774 1.00 62.04 H new ATOM 988 N TRP A 64 17.701 -10.218 12.149 1.00 43.33 N ATOM 989 CA TRP A 64 17.042 -10.107 13.438 1.00 43.33 C ATOM 990 C TRP A 64 17.825 -9.162 14.346 1.00 14.23 C ATOM 991 O TRP A 64 18.854 -8.619 13.937 1.00 63.32 O ATOM 992 CB TRP A 64 16.897 -11.497 14.071 1.00 65.43 C ATOM 993 CG TRP A 64 16.100 -12.452 13.221 1.00 63.21 C ATOM 994 CD1 TRP A 64 16.514 -13.072 12.076 1.00 40.32 C ATOM 995 CD2 TRP A 64 14.756 -12.897 13.448 1.00 51.21 C ATOM 996 NE1 TRP A 64 15.511 -13.862 11.572 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.423 -13.776 12.398 1.00 3.21 C ATOM 998 CE3 TRP A 64 13.802 -12.641 14.434 1.00 55.00 C ATOM 999 CZ2 TRP A 64 13.179 -14.395 12.309 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.568 -13.256 14.346 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.266 -14.123 13.289 1.00 30.45 C ATOM 0 H TRP A 64 18.469 -10.888 12.123 1.00 43.33 H new ATOM 0 HA TRP A 64 16.044 -9.691 13.301 1.00 43.33 H new ATOM 0 HB2 TRP A 64 17.888 -11.916 14.246 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.417 -11.398 15.044 1.00 65.43 H new ATOM 0 HD1 TRP A 64 17.491 -12.957 11.631 1.00 40.32 H new ATOM 0 HE1 TRP A 64 15.567 -14.422 10.721 1.00 61.14 H new ATOM 0 HE3 TRP A 64 14.025 -11.973 15.253 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 12.944 -15.065 11.495 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 11.824 -13.065 15.105 1.00 13.34 H new ATOM 0 HH2 TRP A 64 11.291 -14.586 13.247 1.00 30.45 H new ATOM 1012 N THR A 65 17.335 -8.969 15.567 1.00 64.24 N ATOM 1013 CA THR A 65 17.941 -8.040 16.518 1.00 62.45 C ATOM 1014 C THR A 65 19.418 -8.346 16.787 1.00 71.12 C ATOM 1015 O THR A 65 20.181 -7.459 17.177 1.00 30.41 O ATOM 1016 CB THR A 65 17.164 -8.059 17.847 1.00 0.54 C ATOM 1017 OG1 THR A 65 16.672 -9.385 18.104 1.00 14.20 O ATOM 1018 CG2 THR A 65 16.001 -7.079 17.815 1.00 4.51 C ATOM 0 H THR A 65 16.510 -9.450 15.925 1.00 64.24 H new ATOM 0 HA THR A 65 17.889 -7.050 16.065 1.00 62.45 H new ATOM 0 HB THR A 65 17.844 -7.759 18.644 1.00 0.54 H new ATOM 0 HG1 THR A 65 16.470 -9.480 19.058 1.00 14.20 H new ATOM 0 HG21 THR A 65 15.470 -7.113 18.766 1.00 4.51 H new ATOM 0 HG22 THR A 65 16.379 -6.071 17.647 1.00 4.51 H new ATOM 0 HG23 THR A 65 15.319 -7.350 17.009 1.00 4.51 H new ATOM 1026 N ASP A 66 19.813 -9.596 16.585 1.00 71.12 N ATOM 1027 CA ASP A 66 21.198 -10.010 16.769 1.00 34.33 C ATOM 1028 C ASP A 66 21.437 -11.317 16.028 1.00 13.42 C ATOM 1029 O ASP A 66 20.580 -12.198 16.055 1.00 3.12 O ATOM 1030 CB ASP A 66 21.500 -10.218 18.265 1.00 63.41 C ATOM 1031 CG ASP A 66 22.967 -10.491 18.557 1.00 40.15 C ATOM 1032 OD1 ASP A 66 23.636 -9.605 19.128 1.00 25.14 O ATOM 1033 OD2 ASP A 66 23.456 -11.594 18.245 1.00 24.04 O1- ATOM 0 H ASP A 66 19.188 -10.347 16.291 1.00 71.12 H new ATOM 0 HA ASP A 66 21.853 -9.232 16.377 1.00 34.33 H new ATOM 0 HB2 ASP A 66 21.187 -9.332 18.817 1.00 63.41 H new ATOM 0 HB3 ASP A 66 20.903 -11.052 18.635 1.00 63.41 H new ATOM 1038 N MET A 67 22.559 -11.443 15.333 1.00 22.12 N ATOM 1039 CA MET A 67 22.984 -12.762 14.896 1.00 54.13 C ATOM 1040 C MET A 67 24.440 -13.002 15.258 1.00 53.22 C ATOM 1041 O MET A 67 25.328 -12.892 14.408 1.00 32.02 O ATOM 1042 CB MET A 67 22.845 -12.930 13.377 1.00 11.22 C ATOM 1043 CG MET A 67 21.426 -12.948 12.842 1.00 72.34 C ATOM 1044 SD MET A 67 21.395 -13.278 11.066 1.00 2.02 S ATOM 1045 CE MET A 67 19.644 -13.204 10.720 1.00 10.45 C ATOM 0 H MET A 67 23.174 -10.674 15.067 1.00 22.12 H new ATOM 0 HA MET A 67 22.339 -13.480 15.402 1.00 54.13 H new ATOM 0 HB2 MET A 67 23.387 -12.119 12.890 1.00 11.22 H new ATOM 0 HB3 MET A 67 23.334 -13.860 13.087 1.00 11.22 H new ATOM 0 HG2 MET A 67 20.848 -13.710 13.365 1.00 72.34 H new ATOM 0 HG3 MET A 67 20.947 -11.990 13.044 1.00 72.34 H new ATOM 0 HE1 MET A 67 19.465 -13.493 9.684 1.00 10.45 H new ATOM 0 HE2 MET A 67 19.113 -13.886 11.384 1.00 10.45 H new ATOM 0 HE3 MET A 67 19.284 -12.188 10.880 1.00 10.45 H new ATOM 1055 N ASP A 68 24.683 -13.293 16.525 1.00 24.31 N ATOM 1056 CA ASP A 68 25.881 -14.000 16.956 1.00 2.01 C ATOM 1057 C ASP A 68 25.734 -14.366 18.423 1.00 63.14 C ATOM 1058 O ASP A 68 26.113 -13.584 19.299 1.00 55.15 O ATOM 1059 CB ASP A 68 27.154 -13.178 16.724 1.00 13.54 C ATOM 1060 CG ASP A 68 28.409 -14.022 16.818 1.00 11.43 C ATOM 1061 OD1 ASP A 68 29.150 -13.887 17.813 1.00 34.44 O ATOM 1062 OD2 ASP A 68 28.667 -14.819 15.888 1.00 51.53 O1- ATOM 0 H ASP A 68 24.053 -13.045 17.288 1.00 24.31 H new ATOM 0 HA ASP A 68 25.984 -14.904 16.356 1.00 2.01 H new ATOM 0 HB2 ASP A 68 27.107 -12.709 15.741 1.00 13.54 H new ATOM 0 HB3 ASP A 68 27.204 -12.374 17.458 1.00 13.54 H new ATOM 1067 N THR A 69 25.159 -15.517 18.706 1.00 35.52 N ATOM 1068 CA THR A 69 24.919 -15.911 20.086 1.00 74.33 C ATOM 1069 C THR A 69 24.878 -17.430 20.213 1.00 61.54 C ATOM 1070 O THR A 69 23.924 -18.073 19.772 1.00 13.04 O ATOM 1071 CB THR A 69 23.588 -15.328 20.609 1.00 11.41 C ATOM 1072 OG1 THR A 69 23.441 -13.961 20.194 1.00 32.14 O ATOM 1073 CG2 THR A 69 23.522 -15.389 22.124 1.00 22.51 C ATOM 0 H THR A 69 24.850 -16.194 18.008 1.00 35.52 H new ATOM 0 HA THR A 69 25.741 -15.516 20.684 1.00 74.33 H new ATOM 0 HB THR A 69 22.781 -15.930 20.191 1.00 11.41 H new ATOM 0 HG1 THR A 69 22.914 -13.472 20.860 1.00 32.14 H new ATOM 0 HG21 THR A 69 22.574 -14.972 22.464 1.00 22.51 H new ATOM 0 HG22 THR A 69 23.600 -16.426 22.450 1.00 22.51 H new ATOM 0 HG23 THR A 69 24.345 -14.813 22.548 1.00 22.51 H new ATOM 1081 N PRO A 70 25.923 -18.025 20.803 1.00 34.41 N ATOM 1082 CA PRO A 70 25.988 -19.469 21.025 1.00 42.43 C ATOM 1083 C PRO A 70 25.001 -19.929 22.096 1.00 23.34 C ATOM 1084 O PRO A 70 25.278 -19.841 23.294 1.00 64.14 O ATOM 1085 CB PRO A 70 27.437 -19.713 21.482 1.00 61.51 C ATOM 1086 CG PRO A 70 28.164 -18.437 21.205 1.00 11.35 C ATOM 1087 CD PRO A 70 27.133 -17.350 21.290 1.00 41.03 C ATOM 0 HA PRO A 70 25.722 -20.028 20.128 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.477 -19.965 22.542 1.00 61.51 H new ATOM 0 HB3 PRO A 70 27.885 -20.545 20.939 1.00 61.51 H new ATOM 0 HG2 PRO A 70 28.962 -18.276 21.930 1.00 11.35 H new ATOM 0 HG3 PRO A 70 28.629 -18.458 20.219 1.00 11.35 H new ATOM 0 HD2 PRO A 70 27.012 -16.984 22.309 1.00 41.03 H new ATOM 0 HD3 PRO A 70 27.396 -16.491 20.672 1.00 41.03 H new ATOM 1095 N SER A 71 23.831 -20.379 21.663 1.00 21.45 N ATOM 1096 CA SER A 71 22.834 -20.903 22.581 1.00 53.41 C ATOM 1097 C SER A 71 23.205 -22.325 22.989 1.00 14.12 C ATOM 1098 O SER A 71 23.149 -23.257 22.181 1.00 73.30 O ATOM 1099 CB SER A 71 21.447 -20.850 21.941 1.00 41.55 C ATOM 1100 OG SER A 71 21.149 -19.534 21.501 1.00 70.34 O ATOM 0 H SER A 71 23.551 -20.391 20.682 1.00 21.45 H new ATOM 0 HA SER A 71 22.809 -20.287 23.480 1.00 53.41 H new ATOM 0 HB2 SER A 71 21.403 -21.540 21.098 1.00 41.55 H new ATOM 0 HB3 SER A 71 20.696 -21.177 22.660 1.00 41.55 H new ATOM 0 HG SER A 71 20.334 -19.548 20.957 1.00 70.34 H new ATOM 1106 N ARG A 72 23.608 -22.473 24.238 1.00 45.03 N ATOM 1107 CA ARG A 72 24.153 -23.726 24.735 1.00 4.44 C ATOM 1108 C ARG A 72 23.102 -24.560 25.465 1.00 75.30 C ATOM 1109 O ARG A 72 22.380 -24.057 26.330 1.00 23.40 O ATOM 1110 CB ARG A 72 25.346 -23.431 25.650 1.00 34.44 C ATOM 1111 CG ARG A 72 25.068 -22.364 26.698 1.00 12.31 C ATOM 1112 CD ARG A 72 26.351 -21.857 27.337 1.00 24.33 C ATOM 1113 NE ARG A 72 26.103 -20.763 28.278 1.00 52.22 N ATOM 1114 CZ ARG A 72 26.890 -19.693 28.410 1.00 64.42 C ATOM 1115 NH1 ARG A 72 28.015 -19.603 27.713 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 26.563 -18.725 29.260 1.00 31.31 N ATOM 0 H ARG A 72 23.567 -21.730 24.936 1.00 45.03 H new ATOM 0 HA ARG A 72 24.484 -24.318 23.881 1.00 4.44 H new ATOM 0 HB2 ARG A 72 25.643 -24.352 26.152 1.00 34.44 H new ATOM 0 HB3 ARG A 72 26.191 -23.115 25.039 1.00 34.44 H new ATOM 0 HG2 ARG A 72 24.537 -21.531 26.237 1.00 12.31 H new ATOM 0 HG3 ARG A 72 24.414 -22.772 27.469 1.00 12.31 H new ATOM 0 HD2 ARG A 72 26.845 -22.677 27.858 1.00 24.33 H new ATOM 0 HD3 ARG A 72 27.034 -21.517 26.558 1.00 24.33 H new ATOM 0 HE ARG A 72 25.275 -20.822 28.871 1.00 52.22 H new ATOM 0 HH11 ARG A 72 28.281 -20.353 27.074 1.00 45.44 H new ATOM 0 HH12 ARG A 72 28.615 -18.784 27.816 1.00 45.44 H new ATOM 0 HH21 ARG A 72 25.709 -18.799 29.813 1.00 31.31 H new ATOM 0 HH22 ARG A 72 27.166 -17.908 29.359 1.00 31.31 H new ATOM 1130 N CYS A 73 23.018 -25.832 25.094 1.00 4.41 N ATOM 1131 CA CYS A 73 22.139 -26.774 25.772 1.00 74.22 C ATOM 1132 C CYS A 73 22.820 -27.306 27.023 1.00 15.32 C ATOM 1133 O CYS A 73 23.878 -27.932 26.945 1.00 21.44 O ATOM 1134 CB CYS A 73 21.774 -27.945 24.854 1.00 72.10 C ATOM 1135 SG CYS A 73 20.902 -27.473 23.323 1.00 53.24 S ATOM 0 H CYS A 73 23.551 -26.235 24.324 1.00 4.41 H new ATOM 0 HA CYS A 73 21.224 -26.248 26.044 1.00 74.22 H new ATOM 0 HB2 CYS A 73 22.687 -28.477 24.586 1.00 72.10 H new ATOM 0 HB3 CYS A 73 21.150 -28.644 25.411 1.00 72.10 H new ATOM 1140 N VAL A 74 22.226 -27.046 28.175 1.00 70.53 N ATOM 1141 CA VAL A 74 22.788 -27.495 29.435 1.00 64.52 C ATOM 1142 C VAL A 74 21.695 -27.598 30.496 1.00 43.42 C ATOM 1143 O VAL A 74 20.822 -26.731 30.598 1.00 34.31 O ATOM 1144 CB VAL A 74 23.931 -26.562 29.916 1.00 54.13 C ATOM 1145 CG1 VAL A 74 23.442 -25.134 30.090 1.00 11.41 C ATOM 1146 CG2 VAL A 74 24.554 -27.079 31.205 1.00 43.31 C ATOM 0 H VAL A 74 21.353 -26.525 28.263 1.00 70.53 H new ATOM 0 HA VAL A 74 23.218 -28.484 29.275 1.00 64.52 H new ATOM 0 HB VAL A 74 24.700 -26.561 29.144 1.00 54.13 H new ATOM 0 HG11 VAL A 74 24.266 -24.506 30.428 1.00 11.41 H new ATOM 0 HG12 VAL A 74 23.067 -24.759 29.138 1.00 11.41 H new ATOM 0 HG13 VAL A 74 22.642 -25.111 30.830 1.00 11.41 H new ATOM 0 HG21 VAL A 74 25.352 -26.406 31.519 1.00 43.31 H new ATOM 0 HG22 VAL A 74 23.793 -27.127 31.983 1.00 43.31 H new ATOM 0 HG23 VAL A 74 24.964 -28.075 31.037 1.00 43.31 H new ATOM 1156 N ARG A 75 21.733 -28.680 31.255 1.00 64.45 N ATOM 1157 CA ARG A 75 20.740 -28.939 32.280 1.00 54.13 C ATOM 1158 C ARG A 75 21.405 -29.595 33.482 1.00 45.21 C ATOM 1159 O ARG A 75 21.266 -29.075 34.603 1.00 37.22 O ATOM 1160 CB ARG A 75 19.614 -29.824 31.728 1.00 55.34 C ATOM 1161 CG ARG A 75 20.101 -31.124 31.104 1.00 43.51 C ATOM 1162 CD ARG A 75 18.949 -31.959 30.571 1.00 51.22 C ATOM 1163 NE ARG A 75 18.006 -32.343 31.619 1.00 74.41 N ATOM 1164 CZ ARG A 75 16.945 -33.120 31.414 1.00 23.14 C ATOM 1165 NH1 ARG A 75 16.711 -33.625 30.207 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 16.119 -33.393 32.413 1.00 4.05 N ATOM 1167 OXT ARG A 75 22.109 -30.609 33.289 1.00 37.22 O ATOM 0 H ARG A 75 22.451 -29.400 31.178 1.00 64.45 H new ATOM 0 HA ARG A 75 20.298 -27.994 32.595 1.00 54.13 H new ATOM 0 HB2 ARG A 75 18.920 -30.058 32.535 1.00 55.34 H new ATOM 0 HB3 ARG A 75 19.056 -29.260 30.981 1.00 55.34 H new ATOM 0 HG2 ARG A 75 20.794 -30.901 30.293 1.00 43.51 H new ATOM 0 HG3 ARG A 75 20.654 -31.699 31.847 1.00 43.51 H new ATOM 0 HD2 ARG A 75 18.422 -31.396 29.801 1.00 51.22 H new ATOM 0 HD3 ARG A 75 19.344 -32.857 30.095 1.00 51.22 H new ATOM 0 HE ARG A 75 18.171 -31.995 32.564 1.00 74.41 H new ATOM 0 HH11 ARG A 75 17.345 -33.417 29.436 1.00 33.54 H new ATOM 0 HH12 ARG A 75 15.897 -34.220 30.052 1.00 33.54 H new ATOM 0 HH21 ARG A 75 16.296 -33.008 33.341 1.00 4.05 H new ATOM 0 HH22 ARG A 75 15.306 -33.989 32.255 1.00 4.05 H new