USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 680 hydrogens (1 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 33 LYS NZ :NH3+ -118:sc= 0.906 (180deg=-1.86!) USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0.934 USER MOD Set 2.1: A 12 GLN : amide:sc= 0.0262 X(o=0.12,f=0.068) USER MOD Set 2.2: A 14 TYR OH : rot -74:sc= 0.0226 USER MOD Set 2.3: A 36 THR OG1 : rot -171:sc= 0.0685 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0537 (180deg=-0.147) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 18:sc= 0.0974 USER MOD Single : A 17 THR OG1 : rot 53:sc= 0.00174 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 54:sc= 0.772 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= -0.617 (180deg=-1.39) USER MOD Single : A 30 GLN : amide:sc= -0.748 X(o=-0.75,f=-0.54) USER MOD Single : A 43 GLN :FLIP amide:sc= -8.17! C(o=-9.4!,f=-8.2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -3.12! C(o=-3.1!,f=-3.3!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0366) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.542 K(o=-0.54,f=-2.6!) USER MOD Single : A 70 THR OG1 : rot 116:sc= -1.6! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -147:sc= -2.42 (180deg=-9.59!) USER MOD Single : A 75 MET CE :methyl -143:sc= -0.576 (180deg=-2.37!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.291 -0.557 -0.080 1.00 22.25 N ATOM 2 CA MET A 1 2.496 -0.218 -1.483 1.00 4.11 C ATOM 3 C MET A 1 3.283 1.082 -1.619 1.00 20.05 C ATOM 4 O MET A 1 3.253 1.932 -0.729 1.00 64.11 O ATOM 5 CB MET A 1 1.151 -0.091 -2.201 1.00 5.00 C ATOM 6 CG MET A 1 0.456 -1.423 -2.428 1.00 72.31 C ATOM 7 SD MET A 1 1.167 -2.353 -3.799 1.00 61.43 S ATOM 8 CE MET A 1 1.924 -3.721 -2.924 1.00 52.24 C ATOM 0 H1 MET A 1 2.850 -1.401 0.159 1.00 22.25 H new ATOM 0 H2 MET A 1 2.593 0.239 0.517 1.00 22.25 H new ATOM 0 H3 MET A 1 1.283 -0.751 0.087 1.00 22.25 H new ATOM 0 HA MET A 1 3.072 -1.020 -1.944 1.00 4.11 H new ATOM 0 HB2 MET A 1 0.496 0.556 -1.617 1.00 5.00 H new ATOM 0 HB3 MET A 1 1.307 0.397 -3.163 1.00 5.00 H new ATOM 0 HG2 MET A 1 0.518 -2.020 -1.518 1.00 72.31 H new ATOM 0 HG3 MET A 1 -0.602 -1.248 -2.623 1.00 72.31 H new ATOM 0 HE1 MET A 1 2.407 -4.388 -3.639 1.00 52.24 H new ATOM 0 HE2 MET A 1 2.668 -3.339 -2.225 1.00 52.24 H new ATOM 0 HE3 MET A 1 1.159 -4.270 -2.376 1.00 52.24 H new ATOM 18 N ALA A 2 3.986 1.229 -2.737 1.00 11.12 N ATOM 19 CA ALA A 2 4.779 2.426 -2.989 1.00 32.02 C ATOM 20 C ALA A 2 3.907 3.561 -3.515 1.00 2.21 C ATOM 21 O ALA A 2 2.915 3.327 -4.207 1.00 23.23 O ATOM 22 CB ALA A 2 5.899 2.119 -3.971 1.00 44.53 C ATOM 0 H ALA A 2 4.023 0.534 -3.483 1.00 11.12 H new ATOM 0 HA ALA A 2 5.217 2.748 -2.044 1.00 32.02 H new ATOM 0 HB1 ALA A 2 6.483 3.022 -4.150 1.00 44.53 H new ATOM 0 HB2 ALA A 2 6.545 1.345 -3.556 1.00 44.53 H new ATOM 0 HB3 ALA A 2 5.473 1.770 -4.912 1.00 44.53 H new ATOM 28 N LEU A 3 4.282 4.791 -3.183 1.00 3.53 N ATOM 29 CA LEU A 3 3.534 5.964 -3.622 1.00 11.35 C ATOM 30 C LEU A 3 4.296 6.723 -4.703 1.00 40.30 C ATOM 31 O LEU A 3 5.316 7.363 -4.445 1.00 53.43 O ATOM 32 CB LEU A 3 3.254 6.888 -2.435 1.00 51.31 C ATOM 33 CG LEU A 3 1.795 6.984 -1.988 1.00 74.44 C ATOM 34 CD1 LEU A 3 1.703 7.549 -0.580 1.00 4.14 C ATOM 35 CD2 LEU A 3 0.994 7.838 -2.961 1.00 31.53 C ATOM 0 H LEU A 3 5.100 5.002 -2.611 1.00 3.53 H new ATOM 0 HA LEU A 3 2.587 5.624 -4.042 1.00 11.35 H new ATOM 0 HB2 LEU A 3 3.851 6.549 -1.588 1.00 51.31 H new ATOM 0 HB3 LEU A 3 3.602 7.889 -2.690 1.00 51.31 H new ATOM 0 HG LEU A 3 1.371 5.980 -1.982 1.00 74.44 H new ATOM 0 HD11 LEU A 3 0.657 7.610 -0.280 1.00 4.14 H new ATOM 0 HD12 LEU A 3 2.241 6.898 0.109 1.00 4.14 H new ATOM 0 HD13 LEU A 3 2.145 8.545 -0.558 1.00 4.14 H new ATOM 0 HD21 LEU A 3 -0.042 7.895 -2.627 1.00 31.53 H new ATOM 0 HD22 LEU A 3 1.419 8.841 -3.000 1.00 31.53 H new ATOM 0 HD23 LEU A 3 1.031 7.390 -3.954 1.00 31.53 H new ATOM 47 N PRO A 4 3.790 6.654 -5.943 1.00 63.44 N ATOM 48 CA PRO A 4 4.406 7.330 -7.089 1.00 1.54 C ATOM 49 C PRO A 4 4.264 8.847 -7.011 1.00 24.25 C ATOM 50 O PRO A 4 3.361 9.362 -6.351 1.00 24.15 O ATOM 51 CB PRO A 4 3.627 6.782 -8.286 1.00 74.42 C ATOM 52 CG PRO A 4 2.307 6.378 -7.726 1.00 74.51 C ATOM 53 CD PRO A 4 2.578 5.909 -6.323 1.00 51.02 C ATOM 0 HA PRO A 4 5.479 7.146 -7.142 1.00 1.54 H new ATOM 0 HB2 PRO A 4 3.513 7.537 -9.063 1.00 74.42 H new ATOM 0 HB3 PRO A 4 4.141 5.934 -8.739 1.00 74.42 H new ATOM 0 HG2 PRO A 4 1.609 7.215 -7.730 1.00 74.51 H new ATOM 0 HG3 PRO A 4 1.856 5.585 -8.322 1.00 74.51 H new ATOM 0 HD2 PRO A 4 1.744 6.131 -5.657 1.00 51.02 H new ATOM 0 HD3 PRO A 4 2.739 4.832 -6.283 1.00 51.02 H new ATOM 61 N ILE A 5 5.161 9.556 -7.688 1.00 70.31 N ATOM 62 CA ILE A 5 5.134 11.013 -7.696 1.00 50.00 C ATOM 63 C ILE A 5 5.700 11.566 -8.999 1.00 51.25 C ATOM 64 O ILE A 5 6.727 11.096 -9.491 1.00 14.52 O ATOM 65 CB ILE A 5 5.931 11.597 -6.515 1.00 13.34 C ATOM 66 CG1 ILE A 5 5.369 11.083 -5.188 1.00 32.41 C ATOM 67 CG2 ILE A 5 5.899 13.118 -6.555 1.00 64.21 C ATOM 68 CD1 ILE A 5 6.023 11.703 -3.973 1.00 64.42 C ATOM 0 H ILE A 5 5.915 9.145 -8.238 1.00 70.31 H new ATOM 0 HA ILE A 5 4.089 11.310 -7.601 1.00 50.00 H new ATOM 0 HB ILE A 5 6.968 11.272 -6.600 1.00 13.34 H new ATOM 0 HG12 ILE A 5 4.298 11.282 -5.155 1.00 32.41 H new ATOM 0 HG13 ILE A 5 5.494 10.001 -5.145 1.00 32.41 H new ATOM 0 HG21 ILE A 5 6.467 13.516 -5.714 1.00 64.21 H new ATOM 0 HG22 ILE A 5 6.341 13.467 -7.488 1.00 64.21 H new ATOM 0 HG23 ILE A 5 4.867 13.462 -6.491 1.00 64.21 H new ATOM 0 HD11 ILE A 5 5.575 11.292 -3.069 1.00 64.42 H new ATOM 0 HD12 ILE A 5 7.090 11.482 -3.982 1.00 64.42 H new ATOM 0 HD13 ILE A 5 5.876 12.783 -3.992 1.00 64.42 H new ATOM 80 N ILE A 6 5.025 12.568 -9.553 1.00 73.43 N ATOM 81 CA ILE A 6 5.462 13.187 -10.798 1.00 60.12 C ATOM 82 C ILE A 6 6.308 14.426 -10.528 1.00 42.40 C ATOM 83 O ILE A 6 6.012 15.209 -9.625 1.00 21.33 O ATOM 84 CB ILE A 6 4.264 13.580 -11.683 1.00 21.22 C ATOM 85 CG1 ILE A 6 3.667 12.340 -12.351 1.00 62.51 C ATOM 86 CG2 ILE A 6 4.690 14.599 -12.729 1.00 70.22 C ATOM 87 CD1 ILE A 6 2.162 12.251 -12.226 1.00 24.44 C ATOM 0 H ILE A 6 4.173 12.968 -9.159 1.00 73.43 H new ATOM 0 HA ILE A 6 6.064 12.446 -11.324 1.00 60.12 H new ATOM 0 HB ILE A 6 3.499 14.034 -11.053 1.00 21.22 H new ATOM 0 HG12 ILE A 6 3.936 12.341 -13.407 1.00 62.51 H new ATOM 0 HG13 ILE A 6 4.113 11.449 -11.909 1.00 62.51 H new ATOM 0 HG21 ILE A 6 3.833 14.867 -13.347 1.00 70.22 H new ATOM 0 HG22 ILE A 6 5.073 15.491 -12.233 1.00 70.22 H new ATOM 0 HG23 ILE A 6 5.470 14.170 -13.358 1.00 70.22 H new ATOM 0 HD11 ILE A 6 1.808 11.347 -12.722 1.00 24.44 H new ATOM 0 HD12 ILE A 6 1.886 12.218 -11.172 1.00 24.44 H new ATOM 0 HD13 ILE A 6 1.706 13.124 -12.693 1.00 24.44 H new ATOM 99 N VAL A 7 7.363 14.600 -11.319 1.00 14.44 N ATOM 100 CA VAL A 7 8.251 15.747 -11.167 1.00 72.42 C ATOM 101 C VAL A 7 8.433 16.479 -12.492 1.00 4.24 C ATOM 102 O VAL A 7 8.857 15.891 -13.486 1.00 63.45 O ATOM 103 CB VAL A 7 9.632 15.320 -10.634 1.00 54.15 C ATOM 104 CG1 VAL A 7 10.290 14.334 -11.587 1.00 44.11 C ATOM 105 CG2 VAL A 7 10.518 16.537 -10.417 1.00 53.42 C ATOM 0 H VAL A 7 7.623 13.962 -12.071 1.00 14.44 H new ATOM 0 HA VAL A 7 7.783 16.418 -10.446 1.00 72.42 H new ATOM 0 HB VAL A 7 9.495 14.823 -9.673 1.00 54.15 H new ATOM 0 HG11 VAL A 7 11.264 14.043 -11.194 1.00 44.11 H new ATOM 0 HG12 VAL A 7 9.661 13.450 -11.687 1.00 44.11 H new ATOM 0 HG13 VAL A 7 10.417 14.801 -12.564 1.00 44.11 H new ATOM 0 HG21 VAL A 7 11.490 16.217 -10.040 1.00 53.42 H new ATOM 0 HG22 VAL A 7 10.651 17.064 -11.362 1.00 53.42 H new ATOM 0 HG23 VAL A 7 10.050 17.204 -9.693 1.00 53.42 H new ATOM 115 N LYS A 8 8.111 17.768 -12.498 1.00 11.12 N ATOM 116 CA LYS A 8 8.240 18.584 -13.699 1.00 44.02 C ATOM 117 C LYS A 8 9.394 19.572 -13.564 1.00 44.30 C ATOM 118 O LYS A 8 9.405 20.408 -12.660 1.00 64.21 O ATOM 119 CB LYS A 8 6.937 19.339 -13.971 1.00 4.34 C ATOM 120 CG LYS A 8 6.567 20.326 -12.877 1.00 31.33 C ATOM 121 CD LYS A 8 5.064 20.532 -12.798 1.00 14.23 C ATOM 122 CE LYS A 8 4.507 21.078 -14.104 1.00 35.43 C ATOM 123 NZ LYS A 8 3.842 22.397 -13.915 1.00 73.33 N ATOM 0 H LYS A 8 7.758 18.270 -11.683 1.00 11.12 H new ATOM 0 HA LYS A 8 8.449 17.920 -14.538 1.00 44.02 H new ATOM 0 HB2 LYS A 8 7.027 19.874 -14.916 1.00 4.34 H new ATOM 0 HB3 LYS A 8 6.127 18.619 -14.088 1.00 4.34 H new ATOM 0 HG2 LYS A 8 6.936 19.963 -11.918 1.00 31.33 H new ATOM 0 HG3 LYS A 8 7.057 21.281 -13.066 1.00 31.33 H new ATOM 0 HD2 LYS A 8 4.578 19.586 -12.561 1.00 14.23 H new ATOM 0 HD3 LYS A 8 4.832 21.221 -11.986 1.00 14.23 H new ATOM 0 HE2 LYS A 8 5.315 21.179 -14.829 1.00 35.43 H new ATOM 0 HE3 LYS A 8 3.793 20.367 -14.519 1.00 35.43 H new ATOM 0 HZ1 LYS A 8 3.476 22.735 -14.828 1.00 73.33 H new ATOM 0 HZ2 LYS A 8 3.055 22.296 -13.242 1.00 73.33 H new ATOM 0 HZ3 LYS A 8 4.530 23.082 -13.543 1.00 73.33 H new ATOM 137 N TRP A 9 10.362 19.472 -14.468 1.00 70.11 N ATOM 138 CA TRP A 9 11.520 20.359 -14.450 1.00 31.42 C ATOM 139 C TRP A 9 11.654 21.106 -15.772 1.00 62.21 C ATOM 140 O TRP A 9 12.110 20.546 -16.769 1.00 14.34 O ATOM 141 CB TRP A 9 12.794 19.561 -14.169 1.00 4.13 C ATOM 142 CG TRP A 9 14.039 20.238 -14.658 1.00 52.11 C ATOM 143 CD1 TRP A 9 14.940 19.746 -15.559 1.00 35.21 C ATOM 144 CD2 TRP A 9 14.520 21.530 -14.271 1.00 61.15 C ATOM 145 NE1 TRP A 9 15.952 20.654 -15.756 1.00 31.24 N ATOM 146 CE2 TRP A 9 15.717 21.757 -14.978 1.00 64.11 C ATOM 147 CE3 TRP A 9 14.055 22.518 -13.399 1.00 64.41 C ATOM 148 CZ2 TRP A 9 16.454 22.930 -14.836 1.00 70.15 C ATOM 149 CZ3 TRP A 9 14.788 23.681 -13.259 1.00 53.15 C ATOM 150 CH2 TRP A 9 15.976 23.880 -13.975 1.00 73.15 C ATOM 0 H TRP A 9 10.368 18.786 -15.223 1.00 70.11 H new ATOM 0 HA TRP A 9 11.375 21.090 -13.655 1.00 31.42 H new ATOM 0 HB2 TRP A 9 12.879 19.392 -13.096 1.00 4.13 H new ATOM 0 HB3 TRP A 9 12.712 18.582 -14.641 1.00 4.13 H new ATOM 0 HD1 TRP A 9 14.868 18.784 -16.045 1.00 35.21 H new ATOM 0 HE1 TRP A 9 16.749 20.528 -16.380 1.00 31.24 H new ATOM 0 HE3 TRP A 9 13.139 22.375 -12.845 1.00 64.41 H new ATOM 0 HZ2 TRP A 9 17.371 23.084 -15.386 1.00 70.15 H new ATOM 0 HZ3 TRP A 9 14.439 24.450 -12.586 1.00 53.15 H new ATOM 0 HH2 TRP A 9 16.525 24.801 -13.845 1.00 73.15 H new ATOM 161 N GLY A 10 11.255 22.374 -15.774 1.00 12.13 N ATOM 162 CA GLY A 10 11.339 23.177 -16.980 1.00 22.22 C ATOM 163 C GLY A 10 10.092 23.072 -17.834 1.00 54.42 C ATOM 164 O GLY A 10 9.250 23.970 -17.829 1.00 43.12 O ATOM 0 H GLY A 10 10.875 22.860 -14.962 1.00 12.13 H new ATOM 0 HA2 GLY A 10 11.503 24.220 -16.708 1.00 22.22 H new ATOM 0 HA3 GLY A 10 12.203 22.861 -17.564 1.00 22.22 H new ATOM 168 N GLY A 11 9.972 21.973 -18.573 1.00 12.05 N ATOM 169 CA GLY A 11 8.816 21.776 -19.427 1.00 73.23 C ATOM 170 C GLY A 11 8.548 20.311 -19.712 1.00 43.20 C ATOM 171 O GLY A 11 7.844 19.977 -20.664 1.00 33.30 O ATOM 0 H GLY A 11 10.655 21.216 -18.595 1.00 12.05 H new ATOM 0 HA2 GLY A 11 7.939 22.217 -18.953 1.00 73.23 H new ATOM 0 HA3 GLY A 11 8.969 22.304 -20.368 1.00 73.23 H new ATOM 175 N GLN A 12 9.113 19.437 -18.886 1.00 22.40 N ATOM 176 CA GLN A 12 8.933 18.000 -19.056 1.00 64.31 C ATOM 177 C GLN A 12 8.530 17.342 -17.740 1.00 42.04 C ATOM 178 O GLN A 12 9.055 17.682 -16.680 1.00 74.53 O ATOM 179 CB GLN A 12 10.219 17.363 -19.585 1.00 64.54 C ATOM 180 CG GLN A 12 10.485 17.656 -21.053 1.00 55.41 C ATOM 181 CD GLN A 12 10.572 16.398 -21.894 1.00 33.12 C ATOM 182 OE1 GLN A 12 11.659 15.871 -22.132 1.00 33.42 O ATOM 183 NE2 GLN A 12 9.424 15.909 -22.349 1.00 21.12 N ATOM 0 H GLN A 12 9.699 19.698 -18.093 1.00 22.40 H new ATOM 0 HA GLN A 12 8.133 17.843 -19.780 1.00 64.31 H new ATOM 0 HB2 GLN A 12 11.062 17.721 -18.993 1.00 64.54 H new ATOM 0 HB3 GLN A 12 10.165 16.284 -19.443 1.00 64.54 H new ATOM 0 HG2 GLN A 12 9.691 18.294 -21.442 1.00 55.41 H new ATOM 0 HG3 GLN A 12 11.416 18.215 -21.145 1.00 55.41 H new ATOM 0 HE21 GLN A 12 8.546 16.378 -22.127 1.00 21.12 H new ATOM 0 HE22 GLN A 12 9.420 15.064 -22.920 1.00 21.12 H new ATOM 192 N GLU A 13 7.595 16.400 -17.817 1.00 65.14 N ATOM 193 CA GLU A 13 7.122 15.696 -16.631 1.00 52.14 C ATOM 194 C GLU A 13 7.737 14.302 -16.544 1.00 2.43 C ATOM 195 O GLU A 13 7.914 13.625 -17.557 1.00 11.24 O ATOM 196 CB GLU A 13 5.595 15.591 -16.649 1.00 4.30 C ATOM 197 CG GLU A 13 4.892 16.935 -16.557 1.00 31.00 C ATOM 198 CD GLU A 13 3.395 16.825 -16.770 1.00 54.41 C ATOM 199 OE1 GLU A 13 2.981 16.389 -17.864 1.00 52.34 O ATOM 200 OE2 GLU A 13 2.637 17.176 -15.841 1.00 73.13 O ATOM 0 H GLU A 13 7.151 16.107 -18.687 1.00 65.14 H new ATOM 0 HA GLU A 13 7.430 16.266 -15.754 1.00 52.14 H new ATOM 0 HB2 GLU A 13 5.284 15.090 -17.566 1.00 4.30 H new ATOM 0 HB3 GLU A 13 5.272 14.964 -15.818 1.00 4.30 H new ATOM 0 HG2 GLU A 13 5.085 17.376 -15.579 1.00 31.00 H new ATOM 0 HG3 GLU A 13 5.312 17.613 -17.300 1.00 31.00 H new ATOM 207 N TYR A 14 8.062 13.881 -15.326 1.00 51.35 N ATOM 208 CA TYR A 14 8.660 12.570 -15.106 1.00 4.23 C ATOM 209 C TYR A 14 8.021 11.874 -13.908 1.00 3.32 C ATOM 210 O TYR A 14 8.031 12.398 -12.794 1.00 32.22 O ATOM 211 CB TYR A 14 10.168 12.705 -14.887 1.00 22.03 C ATOM 212 CG TYR A 14 10.909 13.247 -16.088 1.00 55.42 C ATOM 213 CD1 TYR A 14 10.953 14.613 -16.343 1.00 70.30 C ATOM 214 CD2 TYR A 14 11.563 12.395 -16.969 1.00 54.22 C ATOM 215 CE1 TYR A 14 11.628 15.113 -17.440 1.00 15.00 C ATOM 216 CE2 TYR A 14 12.241 12.887 -18.068 1.00 32.33 C ATOM 217 CZ TYR A 14 12.270 14.246 -18.299 1.00 2.11 C ATOM 218 OH TYR A 14 12.944 14.740 -19.393 1.00 35.41 O ATOM 0 H TYR A 14 7.921 14.429 -14.477 1.00 51.35 H new ATOM 0 HA TYR A 14 8.481 11.963 -15.994 1.00 4.23 H new ATOM 0 HB2 TYR A 14 10.345 13.361 -14.035 1.00 22.03 H new ATOM 0 HB3 TYR A 14 10.578 11.729 -14.628 1.00 22.03 H new ATOM 0 HD1 TYR A 14 10.451 15.295 -15.672 1.00 70.30 H new ATOM 0 HD2 TYR A 14 11.541 11.330 -16.792 1.00 54.22 H new ATOM 0 HE1 TYR A 14 11.653 16.177 -17.624 1.00 15.00 H new ATOM 0 HE2 TYR A 14 12.745 12.211 -18.742 1.00 32.33 H new ATOM 0 HH TYR A 14 12.299 15.026 -20.073 1.00 35.41 H new ATOM 228 N SER A 15 7.467 10.690 -14.146 1.00 51.02 N ATOM 229 CA SER A 15 6.820 9.922 -13.089 1.00 11.11 C ATOM 230 C SER A 15 7.841 9.090 -12.320 1.00 21.45 C ATOM 231 O SER A 15 8.687 8.420 -12.913 1.00 2.44 O ATOM 232 CB SER A 15 5.742 9.010 -13.678 1.00 51.52 C ATOM 233 OG SER A 15 6.314 8.011 -14.504 1.00 4.21 O ATOM 0 H SER A 15 7.453 10.241 -15.062 1.00 51.02 H new ATOM 0 HA SER A 15 6.354 10.624 -12.398 1.00 11.11 H new ATOM 0 HB2 SER A 15 5.178 8.541 -12.872 1.00 51.52 H new ATOM 0 HB3 SER A 15 5.035 9.604 -14.257 1.00 51.52 H new ATOM 0 HG SER A 15 7.271 7.933 -14.308 1.00 4.21 H new ATOM 239 N VAL A 16 7.755 9.136 -10.994 1.00 3.42 N ATOM 240 CA VAL A 16 8.670 8.386 -10.142 1.00 1.44 C ATOM 241 C VAL A 16 8.057 7.058 -9.712 1.00 42.22 C ATOM 242 O VAL A 16 7.099 7.024 -8.940 1.00 15.22 O ATOM 243 CB VAL A 16 9.055 9.191 -8.886 1.00 51.41 C ATOM 244 CG1 VAL A 16 9.962 8.370 -7.982 1.00 50.43 C ATOM 245 CG2 VAL A 16 9.722 10.501 -9.277 1.00 45.13 C ATOM 0 H VAL A 16 7.061 9.685 -10.487 1.00 3.42 H new ATOM 0 HA VAL A 16 9.567 8.195 -10.732 1.00 1.44 H new ATOM 0 HB VAL A 16 8.146 9.424 -8.332 1.00 51.41 H new ATOM 0 HG11 VAL A 16 10.223 8.955 -7.100 1.00 50.43 H new ATOM 0 HG12 VAL A 16 9.444 7.462 -7.674 1.00 50.43 H new ATOM 0 HG13 VAL A 16 10.870 8.104 -8.523 1.00 50.43 H new ATOM 0 HG21 VAL A 16 9.987 11.057 -8.378 1.00 45.13 H new ATOM 0 HG22 VAL A 16 10.623 10.293 -9.854 1.00 45.13 H new ATOM 0 HG23 VAL A 16 9.034 11.094 -9.880 1.00 45.13 H new ATOM 255 N THR A 17 8.617 5.963 -10.218 1.00 10.34 N ATOM 256 CA THR A 17 8.126 4.632 -9.887 1.00 74.44 C ATOM 257 C THR A 17 9.238 3.762 -9.313 1.00 10.02 C ATOM 258 O THR A 17 9.959 3.089 -10.051 1.00 33.15 O ATOM 259 CB THR A 17 7.528 3.931 -11.122 1.00 51.12 C ATOM 260 OG1 THR A 17 8.303 4.243 -12.285 1.00 52.13 O ATOM 261 CG2 THR A 17 6.084 4.357 -11.340 1.00 33.24 C ATOM 0 H THR A 17 9.411 5.973 -10.858 1.00 10.34 H new ATOM 0 HA THR A 17 7.346 4.761 -9.137 1.00 74.44 H new ATOM 0 HB THR A 17 7.550 2.855 -10.948 1.00 51.12 H new ATOM 0 HG1 THR A 17 9.247 4.046 -12.111 1.00 52.13 H new ATOM 0 HG21 THR A 17 5.683 3.849 -12.217 1.00 33.24 H new ATOM 0 HG22 THR A 17 5.491 4.092 -10.465 1.00 33.24 H new ATOM 0 HG23 THR A 17 6.042 5.435 -11.494 1.00 33.24 H new ATOM 269 N THR A 18 9.373 3.779 -7.990 1.00 42.33 N ATOM 270 CA THR A 18 10.398 2.993 -7.316 1.00 64.55 C ATOM 271 C THR A 18 10.422 3.286 -5.821 1.00 30.22 C ATOM 272 O THR A 18 10.772 2.423 -5.014 1.00 15.21 O ATOM 273 CB THR A 18 11.795 3.269 -7.904 1.00 62.43 C ATOM 274 OG1 THR A 18 12.805 2.755 -7.029 1.00 3.33 O ATOM 275 CG2 THR A 18 12.009 4.760 -8.114 1.00 71.03 C ATOM 0 H THR A 18 8.784 4.329 -7.364 1.00 42.33 H new ATOM 0 HA THR A 18 10.146 1.944 -7.474 1.00 64.55 H new ATOM 0 HB THR A 18 11.864 2.769 -8.870 1.00 62.43 H new ATOM 0 HG1 THR A 18 13.690 2.933 -7.411 1.00 3.33 H new ATOM 0 HG21 THR A 18 13.002 4.930 -8.530 1.00 71.03 H new ATOM 0 HG22 THR A 18 11.256 5.142 -8.804 1.00 71.03 H new ATOM 0 HG23 THR A 18 11.922 5.278 -7.159 1.00 71.03 H new ATOM 283 N LEU A 19 10.048 4.507 -5.456 1.00 53.22 N ATOM 284 CA LEU A 19 10.025 4.914 -4.056 1.00 0.44 C ATOM 285 C LEU A 19 8.731 4.470 -3.380 1.00 45.32 C ATOM 286 O LEU A 19 7.686 4.374 -4.022 1.00 54.32 O ATOM 287 CB LEU A 19 10.178 6.432 -3.943 1.00 14.22 C ATOM 288 CG LEU A 19 11.551 6.938 -3.501 1.00 24.33 C ATOM 289 CD1 LEU A 19 11.833 6.530 -2.063 1.00 13.22 C ATOM 290 CD2 LEU A 19 12.637 6.412 -4.428 1.00 60.42 C ATOM 0 H LEU A 19 9.756 5.233 -6.111 1.00 53.22 H new ATOM 0 HA LEU A 19 10.861 4.432 -3.550 1.00 0.44 H new ATOM 0 HB2 LEU A 19 9.945 6.873 -4.912 1.00 14.22 H new ATOM 0 HB3 LEU A 19 9.433 6.800 -3.238 1.00 14.22 H new ATOM 0 HG LEU A 19 11.550 8.027 -3.555 1.00 24.33 H new ATOM 0 HD11 LEU A 19 12.815 6.899 -1.766 1.00 13.22 H new ATOM 0 HD12 LEU A 19 11.072 6.955 -1.408 1.00 13.22 H new ATOM 0 HD13 LEU A 19 11.814 5.443 -1.983 1.00 13.22 H new ATOM 0 HD21 LEU A 19 13.608 6.782 -4.098 1.00 60.42 H new ATOM 0 HD22 LEU A 19 12.638 5.322 -4.406 1.00 60.42 H new ATOM 0 HD23 LEU A 19 12.445 6.754 -5.445 1.00 60.42 H new ATOM 302 N SER A 20 8.810 4.203 -2.081 1.00 21.44 N ATOM 303 CA SER A 20 7.646 3.767 -1.318 1.00 51.31 C ATOM 304 C SER A 20 7.507 4.574 -0.031 1.00 11.23 C ATOM 305 O SER A 20 8.419 5.303 0.359 1.00 70.34 O ATOM 306 CB SER A 20 7.753 2.277 -0.990 1.00 71.20 C ATOM 307 OG SER A 20 9.060 1.791 -1.243 1.00 50.52 O ATOM 0 H SER A 20 9.668 4.281 -1.534 1.00 21.44 H new ATOM 0 HA SER A 20 6.759 3.934 -1.929 1.00 51.31 H new ATOM 0 HB2 SER A 20 7.497 2.113 0.057 1.00 71.20 H new ATOM 0 HB3 SER A 20 7.032 1.718 -1.586 1.00 71.20 H new ATOM 0 HG SER A 20 9.713 2.342 -0.762 1.00 50.52 H new ATOM 313 N GLU A 21 6.358 4.438 0.625 1.00 64.03 N ATOM 314 CA GLU A 21 6.099 5.155 1.868 1.00 62.13 C ATOM 315 C GLU A 21 7.128 4.787 2.933 1.00 62.22 C ATOM 316 O GLU A 21 7.350 5.538 3.883 1.00 74.30 O ATOM 317 CB GLU A 21 4.690 4.846 2.376 1.00 34.13 C ATOM 318 CG GLU A 21 3.607 5.051 1.331 1.00 55.53 C ATOM 319 CD GLU A 21 2.230 4.663 1.833 1.00 74.42 C ATOM 320 OE1 GLU A 21 2.031 4.646 3.066 1.00 43.12 O ATOM 321 OE2 GLU A 21 1.351 4.375 0.994 1.00 71.23 O ATOM 0 H GLU A 21 5.593 3.838 0.316 1.00 64.03 H new ATOM 0 HA GLU A 21 6.178 6.223 1.665 1.00 62.13 H new ATOM 0 HB2 GLU A 21 4.657 3.813 2.724 1.00 34.13 H new ATOM 0 HB3 GLU A 21 4.477 5.479 3.237 1.00 34.13 H new ATOM 0 HG2 GLU A 21 3.596 6.097 1.025 1.00 55.53 H new ATOM 0 HG3 GLU A 21 3.846 4.462 0.445 1.00 55.53 H new ATOM 328 N ASP A 22 7.753 3.626 2.767 1.00 42.41 N ATOM 329 CA ASP A 22 8.759 3.158 3.713 1.00 62.31 C ATOM 330 C ASP A 22 10.019 4.014 3.634 1.00 25.44 C ATOM 331 O ASP A 22 10.903 3.915 4.487 1.00 54.44 O ATOM 332 CB ASP A 22 9.104 1.693 3.439 1.00 45.10 C ATOM 333 CG ASP A 22 9.542 0.958 4.690 1.00 33.54 C ATOM 334 OD1 ASP A 22 9.750 1.622 5.726 1.00 5.44 O ATOM 335 OD2 ASP A 22 9.676 -0.283 4.634 1.00 70.04 O ATOM 0 H ASP A 22 7.581 2.992 1.987 1.00 42.41 H new ATOM 0 HA ASP A 22 8.346 3.244 4.718 1.00 62.31 H new ATOM 0 HB2 ASP A 22 8.235 1.192 3.012 1.00 45.10 H new ATOM 0 HB3 ASP A 22 9.899 1.643 2.695 1.00 45.10 H new ATOM 340 N ASP A 23 10.096 4.851 2.606 1.00 2.43 N ATOM 341 CA ASP A 23 11.248 5.725 2.416 1.00 25.22 C ATOM 342 C ASP A 23 10.949 7.135 2.914 1.00 2.42 C ATOM 343 O ASP A 23 10.169 7.324 3.848 1.00 33.20 O ATOM 344 CB ASP A 23 11.646 5.765 0.940 1.00 44.51 C ATOM 345 CG ASP A 23 11.645 4.390 0.302 1.00 54.33 C ATOM 346 OD1 ASP A 23 10.546 3.836 0.091 1.00 52.24 O ATOM 347 OD2 ASP A 23 12.742 3.868 0.014 1.00 21.22 O ATOM 0 H ASP A 23 9.374 4.943 1.891 1.00 2.43 H new ATOM 0 HA ASP A 23 12.078 5.323 2.997 1.00 25.22 H new ATOM 0 HB2 ASP A 23 10.957 6.414 0.399 1.00 44.51 H new ATOM 0 HB3 ASP A 23 12.639 6.205 0.846 1.00 44.51 H new ATOM 352 N THR A 24 11.576 8.125 2.285 1.00 11.04 N ATOM 353 CA THR A 24 11.379 9.518 2.666 1.00 51.14 C ATOM 354 C THR A 24 11.257 10.412 1.437 1.00 64.45 C ATOM 355 O THR A 24 11.553 9.990 0.318 1.00 32.23 O ATOM 356 CB THR A 24 12.535 10.029 3.545 1.00 3.25 C ATOM 357 OG1 THR A 24 13.678 9.180 3.394 1.00 44.21 O ATOM 358 CG2 THR A 24 12.122 10.076 5.009 1.00 62.42 C ATOM 0 H THR A 24 12.224 7.987 1.510 1.00 11.04 H new ATOM 0 HA THR A 24 10.452 9.561 3.237 1.00 51.14 H new ATOM 0 HB THR A 24 12.788 11.039 3.222 1.00 3.25 H new ATOM 0 HG1 THR A 24 14.409 9.513 3.955 1.00 44.21 H new ATOM 0 HG21 THR A 24 12.955 10.440 5.611 1.00 62.42 H new ATOM 0 HG22 THR A 24 11.270 10.746 5.125 1.00 62.42 H new ATOM 0 HG23 THR A 24 11.845 9.076 5.341 1.00 62.42 H new ATOM 366 N VAL A 25 10.821 11.649 1.651 1.00 62.22 N ATOM 367 CA VAL A 25 10.662 12.603 0.560 1.00 43.11 C ATOM 368 C VAL A 25 11.997 12.888 -0.120 1.00 31.30 C ATOM 369 O VAL A 25 12.091 12.899 -1.348 1.00 73.41 O ATOM 370 CB VAL A 25 10.059 13.930 1.058 1.00 23.12 C ATOM 371 CG1 VAL A 25 9.798 14.870 -0.109 1.00 61.40 C ATOM 372 CG2 VAL A 25 8.782 13.673 1.842 1.00 35.45 C ATOM 0 H VAL A 25 10.572 12.014 2.570 1.00 62.22 H new ATOM 0 HA VAL A 25 9.980 12.150 -0.160 1.00 43.11 H new ATOM 0 HB VAL A 25 10.777 14.408 1.724 1.00 23.12 H new ATOM 0 HG11 VAL A 25 9.372 15.802 0.263 1.00 61.40 H new ATOM 0 HG12 VAL A 25 10.735 15.079 -0.624 1.00 61.40 H new ATOM 0 HG13 VAL A 25 9.099 14.403 -0.803 1.00 61.40 H new ATOM 0 HG21 VAL A 25 8.369 14.621 2.186 1.00 35.45 H new ATOM 0 HG22 VAL A 25 8.056 13.173 1.201 1.00 35.45 H new ATOM 0 HG23 VAL A 25 9.004 13.040 2.701 1.00 35.45 H new ATOM 382 N LEU A 26 13.028 13.117 0.686 1.00 52.12 N ATOM 383 CA LEU A 26 14.359 13.402 0.162 1.00 25.53 C ATOM 384 C LEU A 26 14.863 12.249 -0.701 1.00 30.14 C ATOM 385 O LEU A 26 15.645 12.452 -1.630 1.00 34.50 O ATOM 386 CB LEU A 26 15.336 13.658 1.311 1.00 4.21 C ATOM 387 CG LEU A 26 16.207 12.473 1.730 1.00 73.34 C ATOM 388 CD1 LEU A 26 17.481 12.428 0.901 1.00 24.43 C ATOM 389 CD2 LEU A 26 16.535 12.550 3.213 1.00 22.25 C ATOM 0 H LEU A 26 12.968 13.111 1.704 1.00 52.12 H new ATOM 0 HA LEU A 26 14.295 14.295 -0.459 1.00 25.53 H new ATOM 0 HB2 LEU A 26 15.991 14.482 1.027 1.00 4.21 H new ATOM 0 HB3 LEU A 26 14.766 13.989 2.179 1.00 4.21 H new ATOM 0 HG LEU A 26 15.649 11.554 1.550 1.00 73.34 H new ATOM 0 HD11 LEU A 26 18.088 11.578 1.213 1.00 24.43 H new ATOM 0 HD12 LEU A 26 17.225 12.324 -0.153 1.00 24.43 H new ATOM 0 HD13 LEU A 26 18.044 13.350 1.048 1.00 24.43 H new ATOM 0 HD21 LEU A 26 17.155 11.699 3.493 1.00 22.25 H new ATOM 0 HD22 LEU A 26 17.074 13.475 3.419 1.00 22.25 H new ATOM 0 HD23 LEU A 26 15.611 12.532 3.791 1.00 22.25 H new ATOM 401 N ASP A 27 14.408 11.040 -0.388 1.00 44.50 N ATOM 402 CA ASP A 27 14.810 9.855 -1.137 1.00 0.32 C ATOM 403 C ASP A 27 14.189 9.857 -2.530 1.00 70.52 C ATOM 404 O ASP A 27 14.798 9.390 -3.494 1.00 23.24 O ATOM 405 CB ASP A 27 14.402 8.588 -0.384 1.00 70.22 C ATOM 406 CG ASP A 27 15.453 7.499 -0.471 1.00 63.04 C ATOM 407 OD1 ASP A 27 15.904 7.199 -1.596 1.00 44.24 O ATOM 408 OD2 ASP A 27 15.824 6.946 0.585 1.00 22.13 O ATOM 0 H ASP A 27 13.761 10.855 0.379 1.00 44.50 H new ATOM 0 HA ASP A 27 15.895 9.872 -1.243 1.00 0.32 H new ATOM 0 HB2 ASP A 27 14.223 8.833 0.663 1.00 70.22 H new ATOM 0 HB3 ASP A 27 13.462 8.215 -0.790 1.00 70.22 H new ATOM 413 N LEU A 28 12.973 10.383 -2.630 1.00 23.41 N ATOM 414 CA LEU A 28 12.268 10.444 -3.906 1.00 24.14 C ATOM 415 C LEU A 28 12.750 11.628 -4.738 1.00 1.14 C ATOM 416 O LEU A 28 13.059 11.485 -5.921 1.00 24.13 O ATOM 417 CB LEU A 28 10.760 10.549 -3.673 1.00 2.42 C ATOM 418 CG LEU A 28 9.869 10.017 -4.795 1.00 71.42 C ATOM 419 CD1 LEU A 28 8.699 9.233 -4.221 1.00 53.12 C ATOM 420 CD2 LEU A 28 9.371 11.159 -5.669 1.00 21.13 C ATOM 0 H LEU A 28 12.455 10.773 -1.843 1.00 23.41 H new ATOM 0 HA LEU A 28 12.481 9.527 -4.456 1.00 24.14 H new ATOM 0 HB2 LEU A 28 10.516 10.012 -2.757 1.00 2.42 H new ATOM 0 HB3 LEU A 28 10.511 11.597 -3.504 1.00 2.42 H new ATOM 0 HG LEU A 28 10.462 9.344 -5.415 1.00 71.42 H new ATOM 0 HD11 LEU A 28 8.076 8.862 -5.034 1.00 53.12 H new ATOM 0 HD12 LEU A 28 9.075 8.391 -3.639 1.00 53.12 H new ATOM 0 HD13 LEU A 28 8.106 9.883 -3.577 1.00 53.12 H new ATOM 0 HD21 LEU A 28 8.738 10.761 -6.462 1.00 21.13 H new ATOM 0 HD22 LEU A 28 8.795 11.858 -5.062 1.00 21.13 H new ATOM 0 HD23 LEU A 28 10.222 11.678 -6.110 1.00 21.13 H new ATOM 432 N LYS A 29 12.813 12.798 -4.111 1.00 4.01 N ATOM 433 CA LYS A 29 13.261 14.008 -4.791 1.00 71.41 C ATOM 434 C LYS A 29 14.700 13.859 -5.275 1.00 73.13 C ATOM 435 O LYS A 29 14.982 14.008 -6.464 1.00 31.22 O ATOM 436 CB LYS A 29 13.148 15.214 -3.857 1.00 3.25 C ATOM 437 CG LYS A 29 11.856 15.995 -4.025 1.00 4.24 C ATOM 438 CD LYS A 29 10.755 15.449 -3.132 1.00 54.11 C ATOM 439 CE LYS A 29 9.857 14.479 -3.885 1.00 53.41 C ATOM 440 NZ LYS A 29 8.469 15.002 -4.024 1.00 43.34 N ATOM 0 H LYS A 29 12.559 12.934 -3.132 1.00 4.01 H new ATOM 0 HA LYS A 29 12.619 14.166 -5.658 1.00 71.41 H new ATOM 0 HB2 LYS A 29 13.224 14.872 -2.825 1.00 3.25 H new ATOM 0 HB3 LYS A 29 13.992 15.881 -4.035 1.00 3.25 H new ATOM 0 HG2 LYS A 29 12.031 17.045 -3.788 1.00 4.24 H new ATOM 0 HG3 LYS A 29 11.536 15.952 -5.066 1.00 4.24 H new ATOM 0 HD2 LYS A 29 11.198 14.945 -2.273 1.00 54.11 H new ATOM 0 HD3 LYS A 29 10.157 16.274 -2.744 1.00 54.11 H new ATOM 0 HE2 LYS A 29 10.275 14.290 -4.874 1.00 53.41 H new ATOM 0 HE3 LYS A 29 9.834 13.524 -3.361 1.00 53.41 H new ATOM 0 HZ1 LYS A 29 7.994 14.520 -4.814 1.00 43.34 H new ATOM 0 HZ2 LYS A 29 7.942 14.827 -3.144 1.00 43.34 H new ATOM 0 HZ3 LYS A 29 8.500 16.025 -4.211 1.00 43.34 H new ATOM 454 N GLN A 30 15.604 13.563 -4.347 1.00 41.32 N ATOM 455 CA GLN A 30 17.013 13.394 -4.681 1.00 63.32 C ATOM 456 C GLN A 30 17.197 12.296 -5.723 1.00 65.44 C ATOM 457 O GLN A 30 18.200 12.265 -6.437 1.00 62.22 O ATOM 458 CB GLN A 30 17.820 13.062 -3.425 1.00 25.40 C ATOM 459 CG GLN A 30 17.884 11.574 -3.118 1.00 41.13 C ATOM 460 CD GLN A 30 19.107 10.907 -3.717 1.00 35.42 C ATOM 461 OE1 GLN A 30 18.994 9.933 -4.463 1.00 10.51 O ATOM 462 NE2 GLN A 30 20.284 11.427 -3.392 1.00 42.34 N ATOM 0 H GLN A 30 15.386 13.435 -3.359 1.00 41.32 H new ATOM 0 HA GLN A 30 17.376 14.332 -5.100 1.00 63.32 H new ATOM 0 HB2 GLN A 30 18.834 13.444 -3.543 1.00 25.40 H new ATOM 0 HB3 GLN A 30 17.381 13.582 -2.573 1.00 25.40 H new ATOM 0 HG2 GLN A 30 17.888 11.430 -2.038 1.00 41.13 H new ATOM 0 HG3 GLN A 30 16.986 11.089 -3.501 1.00 41.13 H new ATOM 0 HE21 GLN A 30 20.331 12.234 -2.771 1.00 42.34 H new ATOM 0 HE22 GLN A 30 21.142 11.019 -3.764 1.00 42.34 H new ATOM 471 N PHE A 31 16.224 11.395 -5.805 1.00 54.24 N ATOM 472 CA PHE A 31 16.279 10.294 -6.760 1.00 31.13 C ATOM 473 C PHE A 31 15.936 10.775 -8.166 1.00 53.44 C ATOM 474 O PHE A 31 16.708 10.583 -9.107 1.00 32.24 O ATOM 475 CB PHE A 31 15.318 9.180 -6.341 1.00 74.42 C ATOM 476 CG PHE A 31 15.107 8.139 -7.404 1.00 11.23 C ATOM 477 CD1 PHE A 31 16.017 7.108 -7.572 1.00 40.14 C ATOM 478 CD2 PHE A 31 13.999 8.192 -8.233 1.00 75.25 C ATOM 479 CE1 PHE A 31 15.826 6.150 -8.550 1.00 12.00 C ATOM 480 CE2 PHE A 31 13.802 7.236 -9.213 1.00 12.24 C ATOM 481 CZ PHE A 31 14.716 6.213 -9.370 1.00 43.42 C ATOM 0 H PHE A 31 15.387 11.405 -5.221 1.00 54.24 H new ATOM 0 HA PHE A 31 17.297 9.903 -6.768 1.00 31.13 H new ATOM 0 HB2 PHE A 31 15.703 8.698 -5.443 1.00 74.42 H new ATOM 0 HB3 PHE A 31 14.356 9.620 -6.079 1.00 74.42 H new ATOM 0 HD1 PHE A 31 16.885 7.052 -6.932 1.00 40.14 H new ATOM 0 HD2 PHE A 31 13.280 8.989 -8.113 1.00 75.25 H new ATOM 0 HE1 PHE A 31 16.544 5.353 -8.673 1.00 12.00 H new ATOM 0 HE2 PHE A 31 12.935 7.290 -9.854 1.00 12.24 H new ATOM 0 HZ PHE A 31 14.563 5.463 -10.132 1.00 43.42 H new ATOM 491 N LEU A 32 14.772 11.402 -8.303 1.00 44.01 N ATOM 492 CA LEU A 32 14.325 11.911 -9.595 1.00 10.52 C ATOM 493 C LEU A 32 15.205 13.068 -10.059 1.00 21.33 C ATOM 494 O LEU A 32 15.581 13.146 -11.228 1.00 62.35 O ATOM 495 CB LEU A 32 12.868 12.368 -9.508 1.00 74.11 C ATOM 496 CG LEU A 32 12.529 13.316 -8.358 1.00 14.43 C ATOM 497 CD1 LEU A 32 12.621 14.764 -8.814 1.00 42.05 C ATOM 498 CD2 LEU A 32 11.141 13.016 -7.810 1.00 21.22 C ATOM 0 H LEU A 32 14.121 11.570 -7.536 1.00 44.01 H new ATOM 0 HA LEU A 32 14.404 11.104 -10.323 1.00 10.52 H new ATOM 0 HB2 LEU A 32 12.605 12.858 -10.446 1.00 74.11 H new ATOM 0 HB3 LEU A 32 12.236 11.484 -9.422 1.00 74.11 H new ATOM 0 HG LEU A 32 13.255 13.161 -7.560 1.00 14.43 H new ATOM 0 HD11 LEU A 32 12.376 15.424 -7.982 1.00 42.05 H new ATOM 0 HD12 LEU A 32 13.634 14.974 -9.157 1.00 42.05 H new ATOM 0 HD13 LEU A 32 11.919 14.934 -9.630 1.00 42.05 H new ATOM 0 HD21 LEU A 32 10.917 13.701 -6.992 1.00 21.22 H new ATOM 0 HD22 LEU A 32 10.402 13.142 -8.601 1.00 21.22 H new ATOM 0 HD23 LEU A 32 11.108 11.990 -7.443 1.00 21.22 H new ATOM 510 N LYS A 33 15.532 13.963 -9.133 1.00 44.45 N ATOM 511 CA LYS A 33 16.371 15.114 -9.445 1.00 45.41 C ATOM 512 C LYS A 33 17.689 14.673 -10.074 1.00 22.32 C ATOM 513 O LYS A 33 18.304 15.415 -10.841 1.00 15.35 O ATOM 514 CB LYS A 33 16.646 15.929 -8.179 1.00 50.11 C ATOM 515 CG LYS A 33 18.112 16.274 -7.984 1.00 2.03 C ATOM 516 CD LYS A 33 18.870 15.135 -7.323 1.00 33.25 C ATOM 517 CE LYS A 33 20.316 15.081 -7.791 1.00 74.34 C ATOM 518 NZ LYS A 33 21.023 13.878 -7.272 1.00 33.44 N ATOM 0 H LYS A 33 15.229 13.913 -8.160 1.00 44.45 H new ATOM 0 HA LYS A 33 15.837 15.737 -10.162 1.00 45.41 H new ATOM 0 HB2 LYS A 33 16.066 16.851 -8.218 1.00 50.11 H new ATOM 0 HB3 LYS A 33 16.295 15.368 -7.313 1.00 50.11 H new ATOM 0 HG2 LYS A 33 18.565 16.502 -8.949 1.00 2.03 H new ATOM 0 HG3 LYS A 33 18.197 17.172 -7.372 1.00 2.03 H new ATOM 0 HD2 LYS A 33 18.841 15.258 -6.240 1.00 33.25 H new ATOM 0 HD3 LYS A 33 18.378 14.189 -7.550 1.00 33.25 H new ATOM 0 HE2 LYS A 33 20.345 15.077 -8.881 1.00 74.34 H new ATOM 0 HE3 LYS A 33 20.838 15.979 -7.461 1.00 74.34 H new ATOM 0 HZ1 LYS A 33 21.815 14.175 -6.667 1.00 33.44 H new ATOM 0 HZ2 LYS A 33 20.361 13.299 -6.717 1.00 33.44 H new ATOM 0 HZ3 LYS A 33 21.387 13.318 -8.069 1.00 33.44 H new ATOM 532 N THR A 34 18.119 13.458 -9.746 1.00 14.03 N ATOM 533 CA THR A 34 19.363 12.917 -10.278 1.00 51.53 C ATOM 534 C THR A 34 19.169 12.381 -11.692 1.00 32.02 C ATOM 535 O THR A 34 20.121 12.287 -12.467 1.00 60.05 O ATOM 536 CB THR A 34 19.914 11.790 -9.385 1.00 13.24 C ATOM 537 OG1 THR A 34 21.332 11.926 -9.243 1.00 10.45 O ATOM 538 CG2 THR A 34 19.586 10.426 -9.972 1.00 25.52 C ATOM 0 H THR A 34 17.623 12.830 -9.114 1.00 14.03 H new ATOM 0 HA THR A 34 20.081 13.737 -10.298 1.00 51.53 H new ATOM 0 HB THR A 34 19.443 11.869 -8.405 1.00 13.24 H new ATOM 0 HG1 THR A 34 21.674 11.206 -8.672 1.00 10.45 H new ATOM 0 HG21 THR A 34 19.985 9.646 -9.324 1.00 25.52 H new ATOM 0 HG22 THR A 34 18.505 10.314 -10.051 1.00 25.52 H new ATOM 0 HG23 THR A 34 20.033 10.339 -10.962 1.00 25.52 H new ATOM 546 N LEU A 35 17.931 12.031 -12.022 1.00 35.23 N ATOM 547 CA LEU A 35 17.611 11.504 -13.344 1.00 60.20 C ATOM 548 C LEU A 35 17.557 12.624 -14.378 1.00 61.21 C ATOM 549 O LEU A 35 18.311 12.622 -15.352 1.00 3.23 O ATOM 550 CB LEU A 35 16.274 10.761 -13.309 1.00 40.44 C ATOM 551 CG LEU A 35 16.029 9.877 -12.086 1.00 52.22 C ATOM 552 CD1 LEU A 35 14.656 9.228 -12.164 1.00 33.04 C ATOM 553 CD2 LEU A 35 17.115 8.819 -11.967 1.00 24.51 C ATOM 0 H LEU A 35 17.132 12.103 -11.392 1.00 35.23 H new ATOM 0 HA LEU A 35 18.399 10.807 -13.631 1.00 60.20 H new ATOM 0 HB2 LEU A 35 15.471 11.496 -13.368 1.00 40.44 H new ATOM 0 HB3 LEU A 35 16.203 10.139 -14.202 1.00 40.44 H new ATOM 0 HG LEU A 35 16.062 10.504 -11.195 1.00 52.22 H new ATOM 0 HD11 LEU A 35 14.499 8.602 -11.285 1.00 33.04 H new ATOM 0 HD12 LEU A 35 13.889 10.002 -12.200 1.00 33.04 H new ATOM 0 HD13 LEU A 35 14.594 8.614 -13.062 1.00 33.04 H new ATOM 0 HD21 LEU A 35 16.925 8.199 -11.091 1.00 24.51 H new ATOM 0 HD22 LEU A 35 17.114 8.195 -12.861 1.00 24.51 H new ATOM 0 HD23 LEU A 35 18.086 9.304 -11.864 1.00 24.51 H new ATOM 565 N THR A 36 16.661 13.582 -14.160 1.00 24.35 N ATOM 566 CA THR A 36 16.510 14.709 -15.071 1.00 75.52 C ATOM 567 C THR A 36 16.392 16.022 -14.307 1.00 1.22 C ATOM 568 O THR A 36 16.751 17.083 -14.817 1.00 35.31 O ATOM 569 CB THR A 36 15.272 14.539 -15.972 1.00 54.50 C ATOM 570 OG1 THR A 36 15.099 15.702 -16.791 1.00 20.43 O ATOM 571 CG2 THR A 36 14.021 14.312 -15.136 1.00 61.52 C ATOM 0 H THR A 36 16.029 13.599 -13.360 1.00 24.35 H new ATOM 0 HA THR A 36 17.404 14.734 -15.694 1.00 75.52 H new ATOM 0 HB THR A 36 15.429 13.667 -16.607 1.00 54.50 H new ATOM 0 HG1 THR A 36 14.236 15.652 -17.253 1.00 20.43 H new ATOM 0 HG21 THR A 36 13.160 14.195 -15.794 1.00 61.52 H new ATOM 0 HG22 THR A 36 14.144 13.411 -14.535 1.00 61.52 H new ATOM 0 HG23 THR A 36 13.862 15.167 -14.479 1.00 61.52 H new ATOM 579 N GLY A 37 15.888 15.944 -13.079 1.00 12.21 N ATOM 580 CA GLY A 37 15.733 17.135 -12.264 1.00 32.23 C ATOM 581 C GLY A 37 17.060 17.792 -11.939 1.00 54.24 C ATOM 582 O GLY A 37 18.113 17.329 -12.376 1.00 25.24 O ATOM 0 H GLY A 37 15.584 15.078 -12.634 1.00 12.21 H new ATOM 0 HA2 GLY A 37 15.096 17.849 -12.787 1.00 32.23 H new ATOM 0 HA3 GLY A 37 15.224 16.873 -11.336 1.00 32.23 H new ATOM 586 N VAL A 38 17.009 18.877 -11.173 1.00 22.02 N ATOM 587 CA VAL A 38 18.216 19.600 -10.791 1.00 3.01 C ATOM 588 C VAL A 38 18.470 19.492 -9.292 1.00 3.35 C ATOM 589 O VAL A 38 17.545 19.594 -8.485 1.00 12.00 O ATOM 590 CB VAL A 38 18.126 21.088 -11.180 1.00 21.34 C ATOM 591 CG1 VAL A 38 16.745 21.640 -10.861 1.00 2.22 C ATOM 592 CG2 VAL A 38 19.207 21.890 -10.471 1.00 30.44 C ATOM 0 H VAL A 38 16.145 19.275 -10.805 1.00 22.02 H new ATOM 0 HA VAL A 38 19.044 19.141 -11.331 1.00 3.01 H new ATOM 0 HB VAL A 38 18.287 21.176 -12.254 1.00 21.34 H new ATOM 0 HG11 VAL A 38 16.700 22.692 -11.142 1.00 2.22 H new ATOM 0 HG12 VAL A 38 15.993 21.083 -11.419 1.00 2.22 H new ATOM 0 HG13 VAL A 38 16.552 21.541 -9.793 1.00 2.22 H new ATOM 0 HG21 VAL A 38 19.129 22.939 -10.757 1.00 30.44 H new ATOM 0 HG22 VAL A 38 19.080 21.798 -9.392 1.00 30.44 H new ATOM 0 HG23 VAL A 38 20.188 21.509 -10.755 1.00 30.44 H new ATOM 602 N LEU A 39 19.730 19.286 -8.924 1.00 0.31 N ATOM 603 CA LEU A 39 20.107 19.165 -7.520 1.00 3.11 C ATOM 604 C LEU A 39 19.618 20.368 -6.719 1.00 23.40 C ATOM 605 O LEU A 39 19.509 21.482 -7.230 1.00 53.24 O ATOM 606 CB LEU A 39 21.626 19.034 -7.389 1.00 33.01 C ATOM 607 CG LEU A 39 22.457 19.831 -8.395 1.00 25.14 C ATOM 608 CD1 LEU A 39 22.527 19.101 -9.727 1.00 25.12 C ATOM 609 CD2 LEU A 39 21.879 21.226 -8.579 1.00 14.14 C ATOM 0 H LEU A 39 20.508 19.199 -9.578 1.00 0.31 H new ATOM 0 HA LEU A 39 19.635 18.268 -7.118 1.00 3.11 H new ATOM 0 HB2 LEU A 39 21.912 19.345 -6.384 1.00 33.01 H new ATOM 0 HB3 LEU A 39 21.889 17.981 -7.484 1.00 33.01 H new ATOM 0 HG LEU A 39 23.470 19.928 -8.004 1.00 25.14 H new ATOM 0 HD11 LEU A 39 23.122 19.683 -10.430 1.00 25.12 H new ATOM 0 HD12 LEU A 39 22.989 18.124 -9.583 1.00 25.12 H new ATOM 0 HD13 LEU A 39 21.520 18.972 -10.124 1.00 25.12 H new ATOM 0 HD21 LEU A 39 22.484 21.778 -9.298 1.00 14.14 H new ATOM 0 HD22 LEU A 39 20.856 21.150 -8.947 1.00 14.14 H new ATOM 0 HD23 LEU A 39 21.883 21.750 -7.623 1.00 14.14 H new ATOM 621 N PRO A 40 19.319 20.139 -5.432 1.00 11.34 N ATOM 622 CA PRO A 40 18.840 21.192 -4.532 1.00 15.44 C ATOM 623 C PRO A 40 19.925 22.210 -4.200 1.00 44.42 C ATOM 624 O PRO A 40 19.631 23.338 -3.806 1.00 42.44 O ATOM 625 CB PRO A 40 18.426 20.423 -3.274 1.00 52.44 C ATOM 626 CG PRO A 40 19.247 19.181 -3.303 1.00 25.02 C ATOM 627 CD PRO A 40 19.426 18.836 -4.755 1.00 72.44 C ATOM 0 HA PRO A 40 18.033 21.773 -4.979 1.00 15.44 H new ATOM 0 HB2 PRO A 40 18.619 21.005 -2.373 1.00 52.44 H new ATOM 0 HB3 PRO A 40 17.360 20.194 -3.283 1.00 52.44 H new ATOM 0 HG2 PRO A 40 20.210 19.339 -2.818 1.00 25.02 H new ATOM 0 HG3 PRO A 40 18.749 18.372 -2.768 1.00 25.02 H new ATOM 0 HD2 PRO A 40 20.392 18.365 -4.940 1.00 72.44 H new ATOM 0 HD3 PRO A 40 18.661 18.140 -5.100 1.00 72.44 H new ATOM 635 N GLU A 41 21.181 21.804 -4.363 1.00 13.12 N ATOM 636 CA GLU A 41 22.310 22.682 -4.080 1.00 52.30 C ATOM 637 C GLU A 41 22.184 23.995 -4.848 1.00 71.10 C ATOM 638 O GLU A 41 22.516 25.062 -4.332 1.00 51.43 O ATOM 639 CB GLU A 41 23.626 21.991 -4.443 1.00 33.24 C ATOM 640 CG GLU A 41 24.838 22.901 -4.346 1.00 25.04 C ATOM 641 CD GLU A 41 24.829 23.754 -3.092 1.00 52.21 C ATOM 642 OE1 GLU A 41 24.687 23.185 -1.989 1.00 44.42 O ATOM 643 OE2 GLU A 41 24.962 24.990 -3.214 1.00 22.34 O ATOM 0 H GLU A 41 21.442 20.873 -4.689 1.00 13.12 H new ATOM 0 HA GLU A 41 22.306 22.903 -3.013 1.00 52.30 H new ATOM 0 HB2 GLU A 41 23.771 21.135 -3.784 1.00 33.24 H new ATOM 0 HB3 GLU A 41 23.554 21.602 -5.459 1.00 33.24 H new ATOM 0 HG2 GLU A 41 25.744 22.296 -4.362 1.00 25.04 H new ATOM 0 HG3 GLU A 41 24.872 23.549 -5.222 1.00 25.04 H new ATOM 650 N ARG A 42 21.703 23.907 -6.084 1.00 34.23 N ATOM 651 CA ARG A 42 21.534 25.086 -6.924 1.00 3.20 C ATOM 652 C ARG A 42 20.063 25.476 -7.025 1.00 55.13 C ATOM 653 O ARG A 42 19.721 26.658 -7.002 1.00 43.21 O ATOM 654 CB ARG A 42 22.102 24.829 -8.321 1.00 20.40 C ATOM 655 CG ARG A 42 23.571 25.195 -8.459 1.00 32.45 C ATOM 656 CD ARG A 42 24.447 23.955 -8.550 1.00 45.51 C ATOM 657 NE ARG A 42 25.868 24.292 -8.586 1.00 63.41 N ATOM 658 CZ ARG A 42 26.836 23.421 -8.324 1.00 64.45 C ATOM 659 NH1 ARG A 42 26.538 22.168 -8.010 1.00 21.42 N ATOM 660 NH2 ARG A 42 28.106 23.802 -8.378 1.00 1.22 N ATOM 0 H ARG A 42 21.424 23.031 -6.526 1.00 34.23 H new ATOM 0 HA ARG A 42 22.079 25.910 -6.464 1.00 3.20 H new ATOM 0 HB2 ARG A 42 21.974 23.775 -8.567 1.00 20.40 H new ATOM 0 HB3 ARG A 42 21.525 25.399 -9.049 1.00 20.40 H new ATOM 0 HG2 ARG A 42 23.712 25.808 -9.349 1.00 32.45 H new ATOM 0 HG3 ARG A 42 23.879 25.798 -7.605 1.00 32.45 H new ATOM 0 HD2 ARG A 42 24.249 23.308 -7.696 1.00 45.51 H new ATOM 0 HD3 ARG A 42 24.185 23.391 -9.445 1.00 45.51 H new ATOM 0 HE ARG A 42 26.131 25.248 -8.825 1.00 63.41 H new ATOM 0 HH11 ARG A 42 25.563 21.871 -7.969 1.00 21.42 H new ATOM 0 HH12 ARG A 42 27.284 21.501 -7.809 1.00 21.42 H new ATOM 0 HH21 ARG A 42 28.340 24.765 -8.621 1.00 1.22 H new ATOM 0 HH22 ARG A 42 28.848 23.132 -8.177 1.00 1.22 H new ATOM 674 N GLN A 43 19.197 24.474 -7.138 1.00 53.02 N ATOM 675 CA GLN A 43 17.762 24.713 -7.244 1.00 62.14 C ATOM 676 C GLN A 43 17.090 24.603 -5.880 1.00 75.51 C ATOM 677 O GLN A 43 17.630 23.993 -4.957 1.00 32.11 O ATOM 678 CB GLN A 43 17.129 23.719 -8.220 1.00 42.42 C ATOM 679 CG GLN A 43 16.718 22.408 -7.571 1.00 71.44 C ATOM 680 CD GLN A 43 15.429 22.526 -6.782 1.00 61.20 C ATOM 681 OE1 GLN A 43 14.425 23.158 -7.378 1.00 63.25 O flip ATOM 682 NE2 GLN A 43 15.336 22.054 -5.648 1.00 43.52 N flip ATOM 0 H GLN A 43 19.464 23.490 -7.159 1.00 53.02 H new ATOM 0 HA GLN A 43 17.614 25.725 -7.621 1.00 62.14 H new ATOM 0 HB2 GLN A 43 16.253 24.179 -8.677 1.00 42.42 H new ATOM 0 HB3 GLN A 43 17.836 23.511 -9.024 1.00 42.42 H new ATOM 0 HG2 GLN A 43 16.599 21.647 -8.342 1.00 71.44 H new ATOM 0 HG3 GLN A 43 17.515 22.069 -6.909 1.00 71.44 H new ATOM 0 HE21 GLN A 43 16.133 21.576 -5.228 1.00 43.52 H new ATOM 0 HE22 GLN A 43 14.462 22.141 -5.129 1.00 43.52 H new ATOM 691 N LYS A 44 15.907 25.197 -5.759 1.00 62.42 N ATOM 692 CA LYS A 44 15.159 25.165 -4.508 1.00 51.02 C ATOM 693 C LYS A 44 13.733 24.675 -4.739 1.00 60.13 C ATOM 694 O LYS A 44 13.082 25.064 -5.710 1.00 34.22 O ATOM 695 CB LYS A 44 15.134 26.556 -3.869 1.00 63.55 C ATOM 696 CG LYS A 44 14.491 27.616 -4.746 1.00 43.21 C ATOM 697 CD LYS A 44 12.991 27.695 -4.517 1.00 62.41 C ATOM 698 CE LYS A 44 12.533 29.130 -4.312 1.00 51.41 C ATOM 699 NZ LYS A 44 11.064 29.276 -4.505 1.00 15.51 N ATOM 0 H LYS A 44 15.446 25.706 -6.513 1.00 62.42 H new ATOM 0 HA LYS A 44 15.659 24.470 -3.833 1.00 51.02 H new ATOM 0 HB2 LYS A 44 14.595 26.503 -2.923 1.00 63.55 H new ATOM 0 HB3 LYS A 44 16.155 26.859 -3.637 1.00 63.55 H new ATOM 0 HG2 LYS A 44 14.943 28.586 -4.537 1.00 43.21 H new ATOM 0 HG3 LYS A 44 14.689 27.391 -5.794 1.00 43.21 H new ATOM 0 HD2 LYS A 44 12.468 27.264 -5.371 1.00 62.41 H new ATOM 0 HD3 LYS A 44 12.723 27.098 -3.645 1.00 62.41 H new ATOM 0 HE2 LYS A 44 12.802 29.457 -3.307 1.00 51.41 H new ATOM 0 HE3 LYS A 44 13.058 29.782 -5.010 1.00 51.41 H new ATOM 0 HZ1 LYS A 44 10.791 30.269 -4.357 1.00 15.51 H new ATOM 0 HZ2 LYS A 44 10.811 28.988 -5.472 1.00 15.51 H new ATOM 0 HZ3 LYS A 44 10.562 28.673 -3.822 1.00 15.51 H new ATOM 713 N LEU A 45 13.253 23.821 -3.842 1.00 2.00 N ATOM 714 CA LEU A 45 11.903 23.279 -3.947 1.00 71.13 C ATOM 715 C LEU A 45 10.860 24.373 -3.746 1.00 15.13 C ATOM 716 O LEU A 45 10.947 25.164 -2.805 1.00 60.32 O ATOM 717 CB LEU A 45 11.697 22.166 -2.918 1.00 1.31 C ATOM 718 CG LEU A 45 12.398 20.840 -3.214 1.00 31.10 C ATOM 719 CD1 LEU A 45 12.098 20.383 -4.633 1.00 43.02 C ATOM 720 CD2 LEU A 45 13.899 20.970 -2.999 1.00 52.13 C ATOM 0 H LEU A 45 13.779 23.489 -3.034 1.00 2.00 H new ATOM 0 HA LEU A 45 11.781 22.866 -4.948 1.00 71.13 H new ATOM 0 HB2 LEU A 45 12.040 22.527 -1.948 1.00 1.31 H new ATOM 0 HB3 LEU A 45 10.628 21.976 -2.827 1.00 1.31 H new ATOM 0 HG LEU A 45 12.017 20.087 -2.524 1.00 31.10 H new ATOM 0 HD11 LEU A 45 12.605 19.438 -4.826 1.00 43.02 H new ATOM 0 HD12 LEU A 45 11.023 20.249 -4.752 1.00 43.02 H new ATOM 0 HD13 LEU A 45 12.450 21.135 -5.339 1.00 43.02 H new ATOM 0 HD21 LEU A 45 14.381 20.017 -3.214 1.00 52.13 H new ATOM 0 HD22 LEU A 45 14.297 21.736 -3.664 1.00 52.13 H new ATOM 0 HD23 LEU A 45 14.095 21.250 -1.964 1.00 52.13 H new ATOM 732 N LEU A 46 9.872 24.412 -4.633 1.00 73.11 N ATOM 733 CA LEU A 46 8.809 25.408 -4.552 1.00 31.12 C ATOM 734 C LEU A 46 7.725 24.969 -3.572 1.00 43.31 C ATOM 735 O LEU A 46 7.255 25.760 -2.755 1.00 44.34 O ATOM 736 CB LEU A 46 8.198 25.644 -5.934 1.00 15.10 C ATOM 737 CG LEU A 46 9.091 26.355 -6.951 1.00 2.34 C ATOM 738 CD1 LEU A 46 9.960 25.351 -7.692 1.00 53.14 C ATOM 739 CD2 LEU A 46 8.249 27.161 -7.929 1.00 63.35 C ATOM 0 H LEU A 46 9.785 23.765 -5.417 1.00 73.11 H new ATOM 0 HA LEU A 46 9.244 26.340 -4.190 1.00 31.12 H new ATOM 0 HB2 LEU A 46 7.906 24.680 -6.349 1.00 15.10 H new ATOM 0 HB3 LEU A 46 7.286 26.228 -5.811 1.00 15.10 H new ATOM 0 HG LEU A 46 9.745 27.043 -6.414 1.00 2.34 H new ATOM 0 HD11 LEU A 46 10.589 25.875 -8.412 1.00 53.14 H new ATOM 0 HD12 LEU A 46 10.590 24.819 -6.979 1.00 53.14 H new ATOM 0 HD13 LEU A 46 9.325 24.638 -8.217 1.00 53.14 H new ATOM 0 HD21 LEU A 46 8.901 27.660 -8.645 1.00 63.35 H new ATOM 0 HD22 LEU A 46 7.570 26.494 -8.460 1.00 63.35 H new ATOM 0 HD23 LEU A 46 7.672 27.907 -7.383 1.00 63.35 H new ATOM 751 N GLY A 47 7.334 23.701 -3.658 1.00 44.35 N ATOM 752 CA GLY A 47 6.311 23.179 -2.773 1.00 33.44 C ATOM 753 C GLY A 47 6.875 22.239 -1.726 1.00 33.34 C ATOM 754 O GLY A 47 6.262 21.221 -1.400 1.00 22.23 O ATOM 0 H GLY A 47 7.708 23.026 -4.325 1.00 44.35 H new ATOM 0 HA2 GLY A 47 5.806 24.008 -2.278 1.00 33.44 H new ATOM 0 HA3 GLY A 47 5.559 22.653 -3.362 1.00 33.44 H new ATOM 758 N LEU A 48 8.046 22.578 -1.198 1.00 34.20 N ATOM 759 CA LEU A 48 8.694 21.755 -0.182 1.00 40.43 C ATOM 760 C LEU A 48 7.693 21.311 0.879 1.00 11.55 C ATOM 761 O LEU A 48 7.783 20.204 1.409 1.00 70.41 O ATOM 762 CB LEU A 48 9.840 22.528 0.473 1.00 41.44 C ATOM 763 CG LEU A 48 11.063 21.703 0.875 1.00 33.11 C ATOM 764 CD1 LEU A 48 12.027 22.543 1.698 1.00 51.21 C ATOM 765 CD2 LEU A 48 10.638 20.464 1.649 1.00 30.44 C ATOM 0 H LEU A 48 8.566 23.417 -1.456 1.00 34.20 H new ATOM 0 HA LEU A 48 9.095 20.867 -0.670 1.00 40.43 H new ATOM 0 HB2 LEU A 48 10.164 23.310 -0.214 1.00 41.44 H new ATOM 0 HB3 LEU A 48 9.454 23.026 1.363 1.00 41.44 H new ATOM 0 HG LEU A 48 11.576 21.383 -0.032 1.00 33.11 H new ATOM 0 HD11 LEU A 48 12.891 21.939 1.975 1.00 51.21 H new ATOM 0 HD12 LEU A 48 12.357 23.400 1.110 1.00 51.21 H new ATOM 0 HD13 LEU A 48 11.525 22.894 2.600 1.00 51.21 H new ATOM 0 HD21 LEU A 48 11.521 19.888 1.927 1.00 30.44 H new ATOM 0 HD22 LEU A 48 10.101 20.764 2.549 1.00 30.44 H new ATOM 0 HD23 LEU A 48 9.987 19.851 1.026 1.00 30.44 H new ATOM 777 N LYS A 49 6.737 22.183 1.185 1.00 22.51 N ATOM 778 CA LYS A 49 5.716 21.880 2.181 1.00 52.42 C ATOM 779 C LYS A 49 4.360 21.658 1.519 1.00 14.30 C ATOM 780 O LYS A 49 4.042 22.283 0.507 1.00 14.21 O ATOM 781 CB LYS A 49 5.617 23.017 3.201 1.00 23.33 C ATOM 782 CG LYS A 49 6.201 24.329 2.708 1.00 55.50 C ATOM 783 CD LYS A 49 6.106 25.415 3.767 1.00 33.22 C ATOM 784 CE LYS A 49 5.977 26.795 3.141 1.00 24.02 C ATOM 785 NZ LYS A 49 7.301 27.459 2.987 1.00 2.42 N ATOM 0 H LYS A 49 6.648 23.105 0.757 1.00 22.51 H new ATOM 0 HA LYS A 49 6.005 20.963 2.694 1.00 52.42 H new ATOM 0 HB2 LYS A 49 4.570 23.170 3.461 1.00 23.33 H new ATOM 0 HB3 LYS A 49 6.132 22.720 4.115 1.00 23.33 H new ATOM 0 HG2 LYS A 49 7.244 24.182 2.429 1.00 55.50 H new ATOM 0 HG3 LYS A 49 5.673 24.649 1.810 1.00 55.50 H new ATOM 0 HD2 LYS A 49 5.246 25.224 4.409 1.00 33.22 H new ATOM 0 HD3 LYS A 49 6.991 25.384 4.402 1.00 33.22 H new ATOM 0 HE2 LYS A 49 5.498 26.708 2.166 1.00 24.02 H new ATOM 0 HE3 LYS A 49 5.329 27.416 3.760 1.00 24.02 H new ATOM 0 HZ1 LYS A 49 7.171 28.397 2.557 1.00 2.42 H new ATOM 0 HZ2 LYS A 49 7.747 27.565 3.921 1.00 2.42 H new ATOM 0 HZ3 LYS A 49 7.911 26.879 2.376 1.00 2.42 H new ATOM 799 N VAL A 50 3.563 20.765 2.098 1.00 51.33 N ATOM 800 CA VAL A 50 2.240 20.463 1.565 1.00 33.23 C ATOM 801 C VAL A 50 1.243 20.197 2.688 1.00 23.31 C ATOM 802 O VAL A 50 1.597 19.642 3.729 1.00 71.12 O ATOM 803 CB VAL A 50 2.278 19.242 0.627 1.00 33.34 C ATOM 804 CG1 VAL A 50 2.665 17.988 1.398 1.00 50.55 C ATOM 805 CG2 VAL A 50 0.935 19.059 -0.064 1.00 12.25 C ATOM 0 H VAL A 50 3.811 20.238 2.936 1.00 51.33 H new ATOM 0 HA VAL A 50 1.920 21.337 0.998 1.00 33.23 H new ATOM 0 HB VAL A 50 3.034 19.417 -0.138 1.00 33.34 H new ATOM 0 HG11 VAL A 50 2.687 17.136 0.719 1.00 50.55 H new ATOM 0 HG12 VAL A 50 3.651 18.124 1.842 1.00 50.55 H new ATOM 0 HG13 VAL A 50 1.935 17.806 2.186 1.00 50.55 H new ATOM 0 HG21 VAL A 50 0.980 18.192 -0.723 1.00 12.25 H new ATOM 0 HG22 VAL A 50 0.158 18.906 0.685 1.00 12.25 H new ATOM 0 HG23 VAL A 50 0.703 19.948 -0.650 1.00 12.25 H new ATOM 815 N LYS A 51 -0.005 20.596 2.470 1.00 32.45 N ATOM 816 CA LYS A 51 -1.056 20.399 3.463 1.00 44.35 C ATOM 817 C LYS A 51 -0.657 21.006 4.804 1.00 30.32 C ATOM 818 O LYS A 51 -1.052 20.514 5.860 1.00 30.04 O ATOM 819 CB LYS A 51 -1.352 18.908 3.633 1.00 74.31 C ATOM 820 CG LYS A 51 -1.814 18.230 2.355 1.00 74.42 C ATOM 821 CD LYS A 51 -3.092 17.437 2.575 1.00 62.34 C ATOM 822 CE LYS A 51 -3.718 17.012 1.255 1.00 14.23 C ATOM 823 NZ LYS A 51 -5.151 17.409 1.168 1.00 0.44 N ATOM 0 H LYS A 51 -0.314 21.058 1.615 1.00 32.45 H new ATOM 0 HA LYS A 51 -1.955 20.903 3.109 1.00 44.35 H new ATOM 0 HB2 LYS A 51 -0.455 18.407 3.996 1.00 74.31 H new ATOM 0 HB3 LYS A 51 -2.118 18.783 4.398 1.00 74.31 H new ATOM 0 HG2 LYS A 51 -1.979 18.981 1.583 1.00 74.42 H new ATOM 0 HG3 LYS A 51 -1.030 17.565 1.991 1.00 74.42 H new ATOM 0 HD2 LYS A 51 -2.875 16.555 3.177 1.00 62.34 H new ATOM 0 HD3 LYS A 51 -3.803 18.040 3.139 1.00 62.34 H new ATOM 0 HE2 LYS A 51 -3.166 17.461 0.430 1.00 14.23 H new ATOM 0 HE3 LYS A 51 -3.633 15.931 1.144 1.00 14.23 H new ATOM 0 HZ1 LYS A 51 -5.541 17.102 0.254 1.00 0.44 H new ATOM 0 HZ2 LYS A 51 -5.683 16.960 1.941 1.00 0.44 H new ATOM 0 HZ3 LYS A 51 -5.230 18.443 1.248 1.00 0.44 H new ATOM 837 N GLY A 52 0.127 22.078 4.754 1.00 4.24 N ATOM 838 CA GLY A 52 0.565 22.734 5.973 1.00 52.54 C ATOM 839 C GLY A 52 1.770 22.058 6.595 1.00 31.32 C ATOM 840 O GLY A 52 2.386 22.594 7.516 1.00 2.31 O ATOM 0 H GLY A 52 0.467 22.504 3.892 1.00 4.24 H new ATOM 0 HA2 GLY A 52 0.808 23.774 5.755 1.00 52.54 H new ATOM 0 HA3 GLY A 52 -0.254 22.742 6.692 1.00 52.54 H new ATOM 844 N LYS A 53 2.107 20.875 6.093 1.00 32.54 N ATOM 845 CA LYS A 53 3.246 20.122 6.606 1.00 72.14 C ATOM 846 C LYS A 53 4.551 20.632 6.003 1.00 13.51 C ATOM 847 O LYS A 53 4.593 21.115 4.871 1.00 12.33 O ATOM 848 CB LYS A 53 3.078 18.632 6.299 1.00 44.03 C ATOM 849 CG LYS A 53 1.977 17.965 7.104 1.00 21.03 C ATOM 850 CD LYS A 53 2.258 18.033 8.596 1.00 12.30 C ATOM 851 CE LYS A 53 2.029 16.688 9.268 1.00 14.45 C ATOM 852 NZ LYS A 53 2.695 16.612 10.598 1.00 13.42 N ATOM 0 H LYS A 53 1.607 20.417 5.331 1.00 32.54 H new ATOM 0 HA LYS A 53 3.286 20.262 7.686 1.00 72.14 H new ATOM 0 HB2 LYS A 53 2.864 18.510 5.237 1.00 44.03 H new ATOM 0 HB3 LYS A 53 4.020 18.121 6.495 1.00 44.03 H new ATOM 0 HG2 LYS A 53 1.024 18.449 6.890 1.00 21.03 H new ATOM 0 HG3 LYS A 53 1.881 16.923 6.798 1.00 21.03 H new ATOM 0 HD2 LYS A 53 3.287 18.352 8.759 1.00 12.30 H new ATOM 0 HD3 LYS A 53 1.615 18.784 9.055 1.00 12.30 H new ATOM 0 HE2 LYS A 53 0.959 16.519 9.388 1.00 14.45 H new ATOM 0 HE3 LYS A 53 2.407 15.892 8.626 1.00 14.45 H new ATOM 0 HZ1 LYS A 53 2.515 15.680 11.023 1.00 13.42 H new ATOM 0 HZ2 LYS A 53 3.720 16.748 10.481 1.00 13.42 H new ATOM 0 HZ3 LYS A 53 2.316 17.355 11.219 1.00 13.42 H new ATOM 866 N PRO A 54 5.642 20.523 6.775 1.00 45.15 N ATOM 867 CA PRO A 54 6.969 20.967 6.336 1.00 22.42 C ATOM 868 C PRO A 54 7.541 20.083 5.233 1.00 75.23 C ATOM 869 O PRO A 54 8.281 20.552 4.370 1.00 43.44 O ATOM 870 CB PRO A 54 7.818 20.854 7.605 1.00 20.30 C ATOM 871 CG PRO A 54 7.134 19.817 8.427 1.00 30.24 C ATOM 872 CD PRO A 54 5.666 19.958 8.134 1.00 71.40 C ATOM 0 HA PRO A 54 6.943 21.970 5.911 1.00 22.42 H new ATOM 0 HB2 PRO A 54 8.842 20.562 7.372 1.00 20.30 H new ATOM 0 HB3 PRO A 54 7.870 21.806 8.133 1.00 20.30 H new ATOM 0 HG2 PRO A 54 7.489 18.819 8.170 1.00 30.24 H new ATOM 0 HG3 PRO A 54 7.336 19.964 9.488 1.00 30.24 H new ATOM 0 HD2 PRO A 54 5.153 18.997 8.179 1.00 71.40 H new ATOM 0 HD3 PRO A 54 5.174 20.615 8.851 1.00 71.40 H new ATOM 880 N ALA A 55 7.191 18.801 5.267 1.00 51.11 N ATOM 881 CA ALA A 55 7.667 17.852 4.268 1.00 42.41 C ATOM 882 C ALA A 55 9.110 18.148 3.874 1.00 5.04 C ATOM 883 O ALA A 55 9.466 18.090 2.698 1.00 43.01 O ATOM 884 CB ALA A 55 6.767 17.881 3.041 1.00 2.15 C ATOM 0 H ALA A 55 6.579 18.396 5.976 1.00 51.11 H new ATOM 0 HA ALA A 55 7.634 16.854 4.706 1.00 42.41 H new ATOM 0 HB1 ALA A 55 7.134 17.168 2.303 1.00 2.15 H new ATOM 0 HB2 ALA A 55 5.750 17.614 3.329 1.00 2.15 H new ATOM 0 HB3 ALA A 55 6.771 18.882 2.610 1.00 2.15 H new ATOM 890 N GLU A 56 9.936 18.466 4.866 1.00 25.44 N ATOM 891 CA GLU A 56 11.341 18.772 4.622 1.00 60.33 C ATOM 892 C GLU A 56 12.041 17.603 3.934 1.00 52.12 C ATOM 893 O GLU A 56 12.275 17.630 2.726 1.00 4.35 O ATOM 894 CB GLU A 56 12.050 19.103 5.936 1.00 24.35 C ATOM 895 CG GLU A 56 13.489 19.557 5.754 1.00 31.14 C ATOM 896 CD GLU A 56 13.674 21.035 6.036 1.00 51.32 C ATOM 897 OE1 GLU A 56 13.141 21.857 5.261 1.00 11.30 O ATOM 898 OE2 GLU A 56 14.351 21.371 7.030 1.00 64.53 O ATOM 0 H GLU A 56 9.657 18.518 5.846 1.00 25.44 H new ATOM 0 HA GLU A 56 11.388 19.640 3.964 1.00 60.33 H new ATOM 0 HB2 GLU A 56 11.494 19.885 6.452 1.00 24.35 H new ATOM 0 HB3 GLU A 56 12.034 18.223 6.579 1.00 24.35 H new ATOM 0 HG2 GLU A 56 14.134 18.981 6.417 1.00 31.14 H new ATOM 0 HG3 GLU A 56 13.807 19.343 4.734 1.00 31.14 H new ATOM 905 N ASN A 57 12.372 16.578 4.712 1.00 32.03 N ATOM 906 CA ASN A 57 13.046 15.400 4.179 1.00 32.30 C ATOM 907 C ASN A 57 12.833 14.193 5.088 1.00 12.11 C ATOM 908 O ASN A 57 12.695 13.064 4.616 1.00 0.34 O ATOM 909 CB ASN A 57 14.543 15.672 4.017 1.00 14.41 C ATOM 910 CG ASN A 57 15.073 16.628 5.068 1.00 2.21 C ATOM 911 OD1 ASN A 57 15.452 17.759 4.761 1.00 74.43 O ATOM 912 ND2 ASN A 57 15.103 16.177 6.317 1.00 64.13 N ATOM 0 H ASN A 57 12.184 16.539 5.714 1.00 32.03 H new ATOM 0 HA ASN A 57 12.616 15.178 3.202 1.00 32.30 H new ATOM 0 HB2 ASN A 57 15.089 14.731 4.077 1.00 14.41 H new ATOM 0 HB3 ASN A 57 14.729 16.086 3.026 1.00 14.41 H new ATOM 0 HD21 ASN A 57 15.450 16.775 7.067 1.00 64.13 H new ATOM 0 HD22 ASN A 57 14.779 15.233 6.526 1.00 64.13 H new ATOM 919 N ASP A 58 12.806 14.440 6.393 1.00 3.01 N ATOM 920 CA ASP A 58 12.608 13.375 7.369 1.00 63.41 C ATOM 921 C ASP A 58 11.195 12.808 7.276 1.00 70.05 C ATOM 922 O ASP A 58 10.867 11.818 7.930 1.00 42.01 O ATOM 923 CB ASP A 58 12.870 13.894 8.783 1.00 3.34 C ATOM 924 CG ASP A 58 13.948 13.104 9.500 1.00 52.50 C ATOM 925 OD1 ASP A 58 14.980 12.798 8.866 1.00 34.35 O ATOM 926 OD2 ASP A 58 13.760 12.794 10.695 1.00 73.24 O ATOM 0 H ASP A 58 12.919 15.369 6.799 1.00 3.01 H new ATOM 0 HA ASP A 58 13.316 12.577 7.147 1.00 63.41 H new ATOM 0 HB2 ASP A 58 13.164 14.942 8.733 1.00 3.34 H new ATOM 0 HB3 ASP A 58 11.946 13.849 9.360 1.00 3.34 H new ATOM 931 N VAL A 59 10.361 13.443 6.458 1.00 11.23 N ATOM 932 CA VAL A 59 8.983 13.003 6.279 1.00 33.21 C ATOM 933 C VAL A 59 8.898 11.857 5.277 1.00 52.01 C ATOM 934 O VAL A 59 9.668 11.797 4.318 1.00 10.32 O ATOM 935 CB VAL A 59 8.082 14.157 5.800 1.00 44.01 C ATOM 936 CG1 VAL A 59 6.619 13.746 5.844 1.00 55.15 C ATOM 937 CG2 VAL A 59 8.320 15.402 6.641 1.00 44.11 C ATOM 0 H VAL A 59 10.616 14.264 5.909 1.00 11.23 H new ATOM 0 HA VAL A 59 8.632 12.658 7.252 1.00 33.21 H new ATOM 0 HB VAL A 59 8.338 14.390 4.766 1.00 44.01 H new ATOM 0 HG11 VAL A 59 5.998 14.574 5.502 1.00 55.15 H new ATOM 0 HG12 VAL A 59 6.464 12.884 5.195 1.00 55.15 H new ATOM 0 HG13 VAL A 59 6.345 13.485 6.866 1.00 55.15 H new ATOM 0 HG21 VAL A 59 7.675 16.207 6.289 1.00 44.11 H new ATOM 0 HG22 VAL A 59 8.093 15.185 7.685 1.00 44.11 H new ATOM 0 HG23 VAL A 59 9.363 15.707 6.553 1.00 44.11 H new ATOM 947 N LYS A 60 7.956 10.948 5.504 1.00 31.14 N ATOM 948 CA LYS A 60 7.767 9.803 4.621 1.00 3.32 C ATOM 949 C LYS A 60 6.697 10.095 3.574 1.00 62.50 C ATOM 950 O LYS A 60 5.781 10.883 3.810 1.00 11.15 O ATOM 951 CB LYS A 60 7.378 8.565 5.433 1.00 43.43 C ATOM 952 CG LYS A 60 8.487 8.060 6.340 1.00 74.11 C ATOM 953 CD LYS A 60 8.285 6.599 6.706 1.00 13.23 C ATOM 954 CE LYS A 60 8.790 6.302 8.110 1.00 73.52 C ATOM 955 NZ LYS A 60 7.788 6.668 9.149 1.00 21.00 N ATOM 0 H LYS A 60 7.311 10.982 6.293 1.00 31.14 H new ATOM 0 HA LYS A 60 8.710 9.611 4.108 1.00 3.32 H new ATOM 0 HB2 LYS A 60 6.502 8.798 6.039 1.00 43.43 H new ATOM 0 HB3 LYS A 60 7.089 7.768 4.748 1.00 43.43 H new ATOM 0 HG2 LYS A 60 9.449 8.182 5.843 1.00 74.11 H new ATOM 0 HG3 LYS A 60 8.519 8.663 7.248 1.00 74.11 H new ATOM 0 HD2 LYS A 60 7.226 6.349 6.638 1.00 13.23 H new ATOM 0 HD3 LYS A 60 8.808 5.967 5.988 1.00 13.23 H new ATOM 0 HE2 LYS A 60 9.029 5.242 8.193 1.00 73.52 H new ATOM 0 HE3 LYS A 60 9.714 6.852 8.287 1.00 73.52 H new ATOM 0 HZ1 LYS A 60 8.170 6.450 10.092 1.00 21.00 H new ATOM 0 HZ2 LYS A 60 7.579 7.685 9.087 1.00 21.00 H new ATOM 0 HZ3 LYS A 60 6.915 6.125 8.996 1.00 21.00 H new ATOM 969 N LEU A 61 6.818 9.453 2.417 1.00 21.11 N ATOM 970 CA LEU A 61 5.860 9.642 1.334 1.00 52.05 C ATOM 971 C LEU A 61 4.430 9.465 1.834 1.00 12.33 C ATOM 972 O LEU A 61 3.545 10.256 1.509 1.00 61.45 O ATOM 973 CB LEU A 61 6.141 8.655 0.200 1.00 71.45 C ATOM 974 CG LEU A 61 7.606 8.501 -0.209 1.00 24.45 C ATOM 975 CD1 LEU A 61 7.738 7.526 -1.369 1.00 11.23 C ATOM 976 CD2 LEU A 61 8.203 9.852 -0.574 1.00 70.13 C ATOM 0 H LEU A 61 7.570 8.797 2.205 1.00 21.11 H new ATOM 0 HA LEU A 61 5.971 10.659 0.958 1.00 52.05 H new ATOM 0 HB2 LEU A 61 5.762 7.676 0.495 1.00 71.45 H new ATOM 0 HB3 LEU A 61 5.571 8.967 -0.675 1.00 71.45 H new ATOM 0 HG LEU A 61 8.159 8.099 0.640 1.00 24.45 H new ATOM 0 HD11 LEU A 61 8.788 7.430 -1.646 1.00 11.23 H new ATOM 0 HD12 LEU A 61 7.350 6.552 -1.071 1.00 11.23 H new ATOM 0 HD13 LEU A 61 7.170 7.897 -2.222 1.00 11.23 H new ATOM 0 HD21 LEU A 61 9.246 9.723 -0.862 1.00 70.13 H new ATOM 0 HD22 LEU A 61 7.647 10.283 -1.407 1.00 70.13 H new ATOM 0 HD23 LEU A 61 8.144 10.520 0.285 1.00 70.13 H new ATOM 988 N GLY A 62 4.211 8.423 2.631 1.00 45.14 N ATOM 989 CA GLY A 62 2.888 8.163 3.165 1.00 32.34 C ATOM 990 C GLY A 62 2.531 9.092 4.309 1.00 62.04 C ATOM 991 O GLY A 62 1.375 9.159 4.725 1.00 3.13 O ATOM 0 H GLY A 62 4.927 7.755 2.916 1.00 45.14 H new ATOM 0 HA2 GLY A 62 2.151 8.271 2.369 1.00 32.34 H new ATOM 0 HA3 GLY A 62 2.835 7.130 3.510 1.00 32.34 H new ATOM 995 N ALA A 63 3.527 9.810 4.818 1.00 31.32 N ATOM 996 CA ALA A 63 3.312 10.740 5.920 1.00 63.41 C ATOM 997 C ALA A 63 2.786 12.078 5.414 1.00 44.53 C ATOM 998 O ALA A 63 1.987 12.736 6.082 1.00 61.13 O ATOM 999 CB ALA A 63 4.602 10.939 6.702 1.00 65.44 C ATOM 0 H ALA A 63 4.490 9.766 4.485 1.00 31.32 H new ATOM 0 HA ALA A 63 2.561 10.312 6.583 1.00 63.41 H new ATOM 0 HB1 ALA A 63 4.427 11.636 7.522 1.00 65.44 H new ATOM 0 HB2 ALA A 63 4.935 9.982 7.104 1.00 65.44 H new ATOM 0 HB3 ALA A 63 5.370 11.342 6.041 1.00 65.44 H new ATOM 1005 N LEU A 64 3.240 12.478 4.231 1.00 72.44 N ATOM 1006 CA LEU A 64 2.815 13.740 3.635 1.00 62.44 C ATOM 1007 C LEU A 64 1.359 13.667 3.186 1.00 43.24 C ATOM 1008 O LEU A 64 0.674 14.686 3.095 1.00 45.41 O ATOM 1009 CB LEU A 64 3.711 14.091 2.445 1.00 14.53 C ATOM 1010 CG LEU A 64 5.186 13.713 2.581 1.00 50.21 C ATOM 1011 CD1 LEU A 64 5.709 13.130 1.278 1.00 64.42 C ATOM 1012 CD2 LEU A 64 6.011 14.923 2.995 1.00 51.10 C ATOM 0 H LEU A 64 3.902 11.947 3.666 1.00 72.44 H new ATOM 0 HA LEU A 64 2.904 14.520 4.392 1.00 62.44 H new ATOM 0 HB2 LEU A 64 3.311 13.600 1.558 1.00 14.53 H new ATOM 0 HB3 LEU A 64 3.646 15.165 2.272 1.00 14.53 H new ATOM 0 HG LEU A 64 5.277 12.954 3.358 1.00 50.21 H new ATOM 0 HD11 LEU A 64 6.760 12.867 1.393 1.00 64.42 H new ATOM 0 HD12 LEU A 64 5.137 12.238 1.023 1.00 64.42 H new ATOM 0 HD13 LEU A 64 5.605 13.867 0.482 1.00 64.42 H new ATOM 0 HD21 LEU A 64 7.058 14.635 3.087 1.00 51.10 H new ATOM 0 HD22 LEU A 64 5.914 15.704 2.241 1.00 51.10 H new ATOM 0 HD23 LEU A 64 5.652 15.297 3.954 1.00 51.10 H new ATOM 1024 N LYS A 65 0.891 12.455 2.907 1.00 10.34 N ATOM 1025 CA LYS A 65 -0.485 12.248 2.471 1.00 23.43 C ATOM 1026 C LYS A 65 -0.749 12.958 1.148 1.00 51.23 C ATOM 1027 O LYS A 65 -1.836 13.493 0.925 1.00 50.22 O ATOM 1028 CB LYS A 65 -1.461 12.752 3.537 1.00 61.53 C ATOM 1029 CG LYS A 65 -1.159 12.233 4.932 1.00 32.11 C ATOM 1030 CD LYS A 65 -1.322 10.724 5.014 1.00 41.35 C ATOM 1031 CE LYS A 65 -1.015 10.205 6.410 1.00 43.22 C ATOM 1032 NZ LYS A 65 -2.058 10.608 7.393 1.00 2.13 N ATOM 0 H LYS A 65 1.445 11.601 2.975 1.00 10.34 H new ATOM 0 HA LYS A 65 -0.637 11.178 2.325 1.00 23.43 H new ATOM 0 HB2 LYS A 65 -1.439 13.842 3.551 1.00 61.53 H new ATOM 0 HB3 LYS A 65 -2.473 12.457 3.260 1.00 61.53 H new ATOM 0 HG2 LYS A 65 -0.141 12.505 5.210 1.00 32.11 H new ATOM 0 HG3 LYS A 65 -1.824 12.711 5.651 1.00 32.11 H new ATOM 0 HD2 LYS A 65 -2.341 10.452 4.739 1.00 41.35 H new ATOM 0 HD3 LYS A 65 -0.659 10.246 4.293 1.00 41.35 H new ATOM 0 HE2 LYS A 65 -0.940 9.118 6.385 1.00 43.22 H new ATOM 0 HE3 LYS A 65 -0.045 10.584 6.733 1.00 43.22 H new ATOM 0 HZ1 LYS A 65 -1.867 10.152 8.308 1.00 2.13 H new ATOM 0 HZ2 LYS A 65 -2.043 11.641 7.511 1.00 2.13 H new ATOM 0 HZ3 LYS A 65 -2.993 10.313 7.047 1.00 2.13 H new ATOM 1046 N LEU A 66 0.250 12.959 0.272 1.00 30.02 N ATOM 1047 CA LEU A 66 0.125 13.603 -1.031 1.00 32.30 C ATOM 1048 C LEU A 66 -0.360 12.611 -2.084 1.00 14.33 C ATOM 1049 O LEU A 66 -0.131 11.407 -1.971 1.00 20.12 O ATOM 1050 CB LEU A 66 1.467 14.201 -1.457 1.00 75.13 C ATOM 1051 CG LEU A 66 1.590 15.721 -1.345 1.00 33.11 C ATOM 1052 CD1 LEU A 66 3.011 16.166 -1.655 1.00 33.44 C ATOM 1053 CD2 LEU A 66 0.600 16.406 -2.275 1.00 53.52 C ATOM 0 H LEU A 66 1.156 12.521 0.440 1.00 30.02 H new ATOM 0 HA LEU A 66 -0.611 14.402 -0.945 1.00 32.30 H new ATOM 0 HB2 LEU A 66 2.252 13.747 -0.853 1.00 75.13 H new ATOM 0 HB3 LEU A 66 1.657 13.916 -2.492 1.00 75.13 H new ATOM 0 HG LEU A 66 1.356 16.011 -0.321 1.00 33.11 H new ATOM 0 HD11 LEU A 66 3.079 17.251 -1.570 1.00 33.44 H new ATOM 0 HD12 LEU A 66 3.700 15.703 -0.948 1.00 33.44 H new ATOM 0 HD13 LEU A 66 3.274 15.864 -2.669 1.00 33.44 H new ATOM 0 HD21 LEU A 66 0.702 17.487 -2.182 1.00 53.52 H new ATOM 0 HD22 LEU A 66 0.803 16.110 -3.304 1.00 53.52 H new ATOM 0 HD23 LEU A 66 -0.415 16.113 -2.006 1.00 53.52 H new ATOM 1065 N LYS A 67 -1.031 13.126 -3.109 1.00 63.21 N ATOM 1066 CA LYS A 67 -1.546 12.287 -4.185 1.00 42.51 C ATOM 1067 C LYS A 67 -0.406 11.707 -5.016 1.00 23.34 C ATOM 1068 O LYS A 67 0.722 12.200 -4.997 1.00 0.32 O ATOM 1069 CB LYS A 67 -2.485 13.095 -5.083 1.00 53.15 C ATOM 1070 CG LYS A 67 -3.954 12.926 -4.735 1.00 51.32 C ATOM 1071 CD LYS A 67 -4.738 14.203 -4.989 1.00 5.45 C ATOM 1072 CE LYS A 67 -5.870 14.371 -3.987 1.00 23.43 C ATOM 1073 NZ LYS A 67 -6.549 15.688 -4.133 1.00 34.44 N ATOM 0 H LYS A 67 -1.231 14.120 -3.217 1.00 63.21 H new ATOM 0 HA LYS A 67 -2.101 11.463 -3.736 1.00 42.51 H new ATOM 0 HB2 LYS A 67 -2.223 14.151 -5.012 1.00 53.15 H new ATOM 0 HB3 LYS A 67 -2.329 12.796 -6.120 1.00 53.15 H new ATOM 0 HG2 LYS A 67 -4.378 12.114 -5.326 1.00 51.32 H new ATOM 0 HG3 LYS A 67 -4.050 12.641 -3.687 1.00 51.32 H new ATOM 0 HD2 LYS A 67 -4.068 15.061 -4.929 1.00 5.45 H new ATOM 0 HD3 LYS A 67 -5.145 14.186 -6.000 1.00 5.45 H new ATOM 0 HE2 LYS A 67 -6.597 13.570 -4.123 1.00 23.43 H new ATOM 0 HE3 LYS A 67 -5.476 14.276 -2.975 1.00 23.43 H new ATOM 0 HZ1 LYS A 67 -7.314 15.764 -3.433 1.00 34.44 H new ATOM 0 HZ2 LYS A 67 -5.861 16.452 -3.978 1.00 34.44 H new ATOM 0 HZ3 LYS A 67 -6.947 15.769 -5.090 1.00 34.44 H new ATOM 1087 N PRO A 68 -0.704 10.634 -5.764 1.00 11.22 N ATOM 1088 CA PRO A 68 0.282 9.965 -6.617 1.00 23.22 C ATOM 1089 C PRO A 68 0.681 10.814 -7.819 1.00 10.33 C ATOM 1090 O PRO A 68 1.833 10.794 -8.250 1.00 10.53 O ATOM 1091 CB PRO A 68 -0.446 8.699 -7.075 1.00 22.42 C ATOM 1092 CG PRO A 68 -1.893 9.043 -6.993 1.00 42.32 C ATOM 1093 CD PRO A 68 -2.028 9.993 -5.835 1.00 23.30 C ATOM 0 HA PRO A 68 1.214 9.769 -6.086 1.00 23.22 H new ATOM 0 HB2 PRO A 68 -0.161 8.424 -8.091 1.00 22.42 H new ATOM 0 HB3 PRO A 68 -0.204 7.850 -6.436 1.00 22.42 H new ATOM 0 HG2 PRO A 68 -2.237 9.504 -7.918 1.00 42.32 H new ATOM 0 HG3 PRO A 68 -2.498 8.150 -6.838 1.00 42.32 H new ATOM 0 HD2 PRO A 68 -2.819 10.723 -6.004 1.00 23.30 H new ATOM 0 HD3 PRO A 68 -2.271 9.468 -4.911 1.00 23.30 H new ATOM 1101 N ASN A 69 -0.280 11.560 -8.355 1.00 44.11 N ATOM 1102 CA ASN A 69 -0.028 12.417 -9.508 1.00 61.00 C ATOM 1103 C ASN A 69 0.670 13.706 -9.086 1.00 13.44 C ATOM 1104 O ASN A 69 1.224 14.427 -9.916 1.00 64.11 O ATOM 1105 CB ASN A 69 -1.341 12.745 -10.222 1.00 63.44 C ATOM 1106 CG ASN A 69 -2.326 13.463 -9.321 1.00 31.45 C ATOM 1107 OD1 ASN A 69 -2.044 14.550 -8.816 1.00 35.53 O ATOM 1108 ND2 ASN A 69 -3.489 12.856 -9.114 1.00 31.12 N ATOM 0 H ASN A 69 -1.239 11.588 -8.010 1.00 44.11 H new ATOM 0 HA ASN A 69 0.626 11.878 -10.193 1.00 61.00 H new ATOM 0 HB2 ASN A 69 -1.132 13.365 -11.094 1.00 63.44 H new ATOM 0 HB3 ASN A 69 -1.793 11.823 -10.587 1.00 63.44 H new ATOM 0 HD21 ASN A 69 -4.192 13.290 -8.516 1.00 31.12 H new ATOM 0 HD22 ASN A 69 -3.680 11.955 -9.553 1.00 31.12 H new ATOM 1115 N THR A 70 0.639 13.992 -7.787 1.00 74.24 N ATOM 1116 CA THR A 70 1.267 15.194 -7.254 1.00 32.31 C ATOM 1117 C THR A 70 2.507 15.568 -8.057 1.00 4.35 C ATOM 1118 O THR A 70 3.448 14.782 -8.169 1.00 30.21 O ATOM 1119 CB THR A 70 1.661 15.013 -5.776 1.00 32.12 C ATOM 1120 OG1 THR A 70 0.486 14.863 -4.970 1.00 43.44 O ATOM 1121 CG2 THR A 70 2.472 16.201 -5.283 1.00 1.43 C ATOM 0 H THR A 70 0.185 13.407 -7.085 1.00 74.24 H new ATOM 0 HA THR A 70 0.533 15.996 -7.331 1.00 32.31 H new ATOM 0 HB THR A 70 2.274 14.116 -5.694 1.00 32.12 H new ATOM 0 HG1 THR A 70 0.482 13.973 -4.561 1.00 43.44 H new ATOM 0 HG21 THR A 70 2.739 16.051 -4.237 1.00 1.43 H new ATOM 0 HG22 THR A 70 3.380 16.294 -5.879 1.00 1.43 H new ATOM 0 HG23 THR A 70 1.880 17.111 -5.379 1.00 1.43 H new ATOM 1129 N LYS A 71 2.504 16.775 -8.613 1.00 62.22 N ATOM 1130 CA LYS A 71 3.630 17.256 -9.405 1.00 24.24 C ATOM 1131 C LYS A 71 4.610 18.039 -8.537 1.00 10.43 C ATOM 1132 O LYS A 71 4.208 18.728 -7.598 1.00 23.30 O ATOM 1133 CB LYS A 71 3.134 18.136 -10.554 1.00 12.03 C ATOM 1134 CG LYS A 71 1.928 17.565 -11.280 1.00 12.44 C ATOM 1135 CD LYS A 71 0.655 18.314 -10.920 1.00 61.51 C ATOM 1136 CE LYS A 71 -0.466 18.010 -11.902 1.00 33.32 C ATOM 1137 NZ LYS A 71 -1.738 18.683 -11.517 1.00 44.24 N ATOM 0 H LYS A 71 1.734 17.438 -8.530 1.00 62.22 H new ATOM 0 HA LYS A 71 4.148 16.390 -9.817 1.00 24.24 H new ATOM 0 HB2 LYS A 71 2.879 19.121 -10.163 1.00 12.03 H new ATOM 0 HB3 LYS A 71 3.945 18.277 -11.269 1.00 12.03 H new ATOM 0 HG2 LYS A 71 2.091 17.619 -12.356 1.00 12.44 H new ATOM 0 HG3 LYS A 71 1.815 16.511 -11.027 1.00 12.44 H new ATOM 0 HD2 LYS A 71 0.342 18.039 -9.913 1.00 61.51 H new ATOM 0 HD3 LYS A 71 0.852 19.386 -10.911 1.00 61.51 H new ATOM 0 HE2 LYS A 71 -0.172 18.333 -12.901 1.00 33.32 H new ATOM 0 HE3 LYS A 71 -0.625 16.933 -11.950 1.00 33.32 H new ATOM 0 HZ1 LYS A 71 -2.477 18.451 -12.211 1.00 44.24 H new ATOM 0 HZ2 LYS A 71 -2.033 18.356 -10.575 1.00 44.24 H new ATOM 0 HZ3 LYS A 71 -1.593 19.713 -11.496 1.00 44.24 H new ATOM 1151 N ILE A 72 5.895 17.931 -8.857 1.00 52.03 N ATOM 1152 CA ILE A 72 6.930 18.632 -8.108 1.00 63.21 C ATOM 1153 C ILE A 72 7.641 19.660 -8.982 1.00 71.30 C ATOM 1154 O ILE A 72 8.094 19.346 -10.082 1.00 44.43 O ATOM 1155 CB ILE A 72 7.972 17.652 -7.537 1.00 4.21 C ATOM 1156 CG1 ILE A 72 7.283 16.563 -6.713 1.00 74.32 C ATOM 1157 CG2 ILE A 72 8.992 18.398 -6.690 1.00 3.42 C ATOM 1158 CD1 ILE A 72 6.485 17.101 -5.546 1.00 43.40 C ATOM 0 H ILE A 72 6.244 17.365 -9.630 1.00 52.03 H new ATOM 0 HA ILE A 72 6.432 19.142 -7.283 1.00 63.21 H new ATOM 0 HB ILE A 72 8.495 17.177 -8.367 1.00 4.21 H new ATOM 0 HG12 ILE A 72 6.620 15.992 -7.363 1.00 74.32 H new ATOM 0 HG13 ILE A 72 8.037 15.871 -6.339 1.00 74.32 H new ATOM 0 HG21 ILE A 72 9.722 17.692 -6.293 1.00 3.42 H new ATOM 0 HG22 ILE A 72 9.502 19.140 -7.304 1.00 3.42 H new ATOM 0 HG23 ILE A 72 8.484 18.897 -5.865 1.00 3.42 H new ATOM 0 HD11 ILE A 72 6.025 16.273 -5.007 1.00 43.40 H new ATOM 0 HD12 ILE A 72 7.147 17.648 -4.874 1.00 43.40 H new ATOM 0 HD13 ILE A 72 5.708 17.771 -5.914 1.00 43.40 H new ATOM 1170 N MET A 73 7.735 20.888 -8.483 1.00 44.04 N ATOM 1171 CA MET A 73 8.394 21.962 -9.218 1.00 20.01 C ATOM 1172 C MET A 73 9.802 22.203 -8.683 1.00 21.52 C ATOM 1173 O MET A 73 10.038 22.130 -7.477 1.00 45.53 O ATOM 1174 CB MET A 73 7.574 23.250 -9.125 1.00 73.01 C ATOM 1175 CG MET A 73 6.156 23.107 -9.655 1.00 30.14 C ATOM 1176 SD MET A 73 5.021 24.308 -8.933 1.00 73.33 S ATOM 1177 CE MET A 73 4.526 25.224 -10.391 1.00 31.23 C ATOM 0 H MET A 73 7.364 21.164 -7.574 1.00 44.04 H new ATOM 0 HA MET A 73 8.468 21.661 -10.263 1.00 20.01 H new ATOM 0 HB2 MET A 73 7.534 23.571 -8.084 1.00 73.01 H new ATOM 0 HB3 MET A 73 8.084 24.037 -9.682 1.00 73.01 H new ATOM 0 HG2 MET A 73 6.163 23.226 -10.739 1.00 30.14 H new ATOM 0 HG3 MET A 73 5.794 22.100 -9.447 1.00 30.14 H new ATOM 0 HE1 MET A 73 3.821 26.006 -10.108 1.00 31.23 H new ATOM 0 HE2 MET A 73 5.404 25.676 -10.852 1.00 31.23 H new ATOM 0 HE3 MET A 73 4.051 24.548 -11.102 1.00 31.23 H new ATOM 1187 N MET A 74 10.733 22.488 -9.587 1.00 42.02 N ATOM 1188 CA MET A 74 12.118 22.740 -9.205 1.00 33.14 C ATOM 1189 C MET A 74 12.670 23.959 -9.936 1.00 5.33 C ATOM 1190 O MET A 74 12.728 23.984 -11.165 1.00 12.13 O ATOM 1191 CB MET A 74 12.983 21.515 -9.505 1.00 63.21 C ATOM 1192 CG MET A 74 12.619 20.295 -8.675 1.00 75.31 C ATOM 1193 SD MET A 74 13.667 18.872 -9.034 1.00 11.15 S ATOM 1194 CE MET A 74 13.156 18.488 -10.707 1.00 3.31 C ATOM 0 H MET A 74 10.554 22.550 -10.589 1.00 42.02 H new ATOM 0 HA MET A 74 12.143 22.939 -8.134 1.00 33.14 H new ATOM 0 HB2 MET A 74 12.891 21.266 -10.562 1.00 63.21 H new ATOM 0 HB3 MET A 74 14.029 21.766 -9.327 1.00 63.21 H new ATOM 0 HG2 MET A 74 12.700 20.543 -7.617 1.00 75.31 H new ATOM 0 HG3 MET A 74 11.578 20.031 -8.862 1.00 75.31 H new ATOM 0 HE1 MET A 74 13.214 17.411 -10.867 1.00 3.31 H new ATOM 0 HE2 MET A 74 12.130 18.823 -10.860 1.00 3.31 H new ATOM 0 HE3 MET A 74 13.813 18.996 -11.414 1.00 3.31 H new ATOM 1204 N MET A 75 13.076 24.968 -9.172 1.00 13.43 N ATOM 1205 CA MET A 75 13.625 26.190 -9.748 1.00 53.32 C ATOM 1206 C MET A 75 15.117 26.308 -9.453 1.00 14.22 C ATOM 1207 O MET A 75 15.534 26.280 -8.296 1.00 2.10 O ATOM 1208 CB MET A 75 12.886 27.414 -9.202 1.00 25.22 C ATOM 1209 CG MET A 75 11.413 27.450 -9.573 1.00 51.53 C ATOM 1210 SD MET A 75 11.039 28.711 -10.807 1.00 12.22 S ATOM 1211 CE MET A 75 9.317 28.353 -11.145 1.00 53.22 C ATOM 0 H MET A 75 13.035 24.963 -8.153 1.00 13.43 H new ATOM 0 HA MET A 75 13.489 26.145 -10.829 1.00 53.32 H new ATOM 0 HB2 MET A 75 12.979 27.430 -8.116 1.00 25.22 H new ATOM 0 HB3 MET A 75 13.369 28.317 -9.577 1.00 25.22 H new ATOM 0 HG2 MET A 75 11.114 26.474 -9.955 1.00 51.53 H new ATOM 0 HG3 MET A 75 10.821 27.637 -8.677 1.00 51.53 H new ATOM 0 HE1 MET A 75 9.115 28.506 -12.205 1.00 53.22 H new ATOM 0 HE2 MET A 75 9.102 27.318 -10.881 1.00 53.22 H new ATOM 0 HE3 MET A 75 8.685 29.017 -10.555 1.00 53.22 H new ATOM 1221 N GLY A 76 15.916 26.440 -10.507 1.00 52.03 N ATOM 1222 CA GLY A 76 17.352 26.560 -10.339 1.00 62.41 C ATOM 1223 C GLY A 76 18.111 26.290 -11.623 1.00 71.53 C ATOM 1224 O GLY A 76 17.580 26.475 -12.719 1.00 15.03 O ATOM 0 H GLY A 76 15.594 26.466 -11.475 1.00 52.03 H new ATOM 0 HA2 GLY A 76 17.591 27.562 -9.984 1.00 62.41 H new ATOM 0 HA3 GLY A 76 17.684 25.862 -9.571 1.00 62.41 H new ATOM 1228 N THR A 77 19.359 25.851 -11.491 1.00 11.04 N ATOM 1229 CA THR A 77 20.193 25.558 -12.649 1.00 62.21 C ATOM 1230 C THR A 77 20.912 24.224 -12.485 1.00 61.43 C ATOM 1231 O THR A 77 21.349 23.874 -11.389 1.00 30.42 O ATOM 1232 CB THR A 77 21.238 26.665 -12.884 1.00 54.30 C ATOM 1233 OG1 THR A 77 22.113 26.294 -13.955 1.00 10.03 O ATOM 1234 CG2 THR A 77 22.050 26.919 -11.623 1.00 51.51 C ATOM 0 H THR A 77 19.814 25.691 -10.592 1.00 11.04 H new ATOM 0 HA THR A 77 19.529 25.507 -13.512 1.00 62.21 H new ATOM 0 HB THR A 77 20.711 27.582 -13.148 1.00 54.30 H new ATOM 0 HG1 THR A 77 22.773 27.004 -14.099 1.00 10.03 H new ATOM 0 HG21 THR A 77 22.781 27.705 -11.813 1.00 51.51 H new ATOM 0 HG22 THR A 77 21.384 27.230 -10.818 1.00 51.51 H new ATOM 0 HG23 THR A 77 22.567 26.004 -11.333 1.00 51.51 H new ATOM 1242 N ARG A 78 21.032 23.483 -13.582 1.00 61.22 N ATOM 1243 CA ARG A 78 21.698 22.186 -13.559 1.00 42.23 C ATOM 1244 C ARG A 78 23.159 22.333 -13.143 1.00 71.41 C ATOM 1245 O ARG A 78 23.731 23.419 -13.226 1.00 23.34 O ATOM 1246 CB ARG A 78 21.613 21.521 -14.934 1.00 73.32 C ATOM 1247 CG ARG A 78 20.308 20.779 -15.172 1.00 33.45 C ATOM 1248 CD ARG A 78 19.357 21.587 -16.040 1.00 41.34 C ATOM 1249 NE ARG A 78 19.488 21.251 -17.455 1.00 65.34 N ATOM 1250 CZ ARG A 78 18.965 21.979 -18.436 1.00 22.34 C ATOM 1251 NH1 ARG A 78 18.279 23.078 -18.156 1.00 3.33 N ATOM 1252 NH2 ARG A 78 19.128 21.607 -19.699 1.00 51.21 N ATOM 0 H ARG A 78 20.677 23.759 -14.498 1.00 61.22 H new ATOM 0 HA ARG A 78 21.191 21.558 -12.827 1.00 42.23 H new ATOM 0 HB2 ARG A 78 21.734 22.282 -15.705 1.00 73.32 H new ATOM 0 HB3 ARG A 78 22.443 20.823 -15.043 1.00 73.32 H new ATOM 0 HG2 ARG A 78 20.515 19.822 -15.651 1.00 33.45 H new ATOM 0 HG3 ARG A 78 19.833 20.561 -14.216 1.00 33.45 H new ATOM 0 HD2 ARG A 78 18.331 21.407 -15.718 1.00 41.34 H new ATOM 0 HD3 ARG A 78 19.553 22.650 -15.900 1.00 41.34 H new ATOM 0 HE ARG A 78 20.010 20.411 -17.704 1.00 65.34 H new ATOM 0 HH11 ARG A 78 18.152 23.366 -17.186 1.00 3.33 H new ATOM 0 HH12 ARG A 78 17.878 23.635 -18.911 1.00 3.33 H new ATOM 0 HH21 ARG A 78 19.655 20.762 -19.918 1.00 51.21 H new ATOM 0 HH22 ARG A 78 18.726 22.166 -20.451 1.00 51.21 H new ATOM 1266 N GLU A 79 23.755 21.232 -12.696 1.00 33.42 N ATOM 1267 CA GLU A 79 25.148 21.239 -12.266 1.00 30.14 C ATOM 1268 C GLU A 79 26.046 21.847 -13.339 1.00 53.41 C ATOM 1269 O GLU A 79 25.871 21.587 -14.529 1.00 22.31 O ATOM 1270 CB GLU A 79 25.613 19.817 -11.943 1.00 14.25 C ATOM 1271 CG GLU A 79 25.217 18.794 -12.994 1.00 33.14 C ATOM 1272 CD GLU A 79 26.356 17.863 -13.360 1.00 22.23 C ATOM 1273 OE1 GLU A 79 26.825 17.121 -12.470 1.00 53.54 O ATOM 1274 OE2 GLU A 79 26.779 17.875 -14.534 1.00 44.53 O ATOM 0 H GLU A 79 23.295 20.325 -12.622 1.00 33.42 H new ATOM 0 HA GLU A 79 25.220 21.851 -11.367 1.00 30.14 H new ATOM 0 HB2 GLU A 79 26.698 19.814 -11.836 1.00 14.25 H new ATOM 0 HB3 GLU A 79 25.197 19.517 -10.981 1.00 14.25 H new ATOM 0 HG2 GLU A 79 24.377 18.206 -12.625 1.00 33.14 H new ATOM 0 HG3 GLU A 79 24.874 19.313 -13.889 1.00 33.14 H new ATOM 1281 N GLU A 80 27.006 22.660 -12.909 1.00 32.14 N ATOM 1282 CA GLU A 80 27.930 23.307 -13.833 1.00 33.40 C ATOM 1283 C GLU A 80 27.175 24.159 -14.849 1.00 1.52 C ATOM 1284 O GLU A 80 25.965 24.353 -14.735 1.00 51.53 O ATOM 1285 CB GLU A 80 28.777 22.259 -14.559 1.00 15.11 C ATOM 1286 CG GLU A 80 30.269 22.539 -14.504 1.00 61.50 C ATOM 1287 CD GLU A 80 30.780 22.701 -13.086 1.00 24.33 C ATOM 1288 OE1 GLU A 80 31.011 21.672 -12.416 1.00 40.23 O ATOM 1289 OE2 GLU A 80 30.950 23.857 -12.646 1.00 2.14 O ATOM 0 H GLU A 80 27.164 22.886 -11.927 1.00 32.14 H new ATOM 0 HA GLU A 80 28.586 23.958 -13.255 1.00 33.40 H new ATOM 0 HB2 GLU A 80 28.583 21.280 -14.121 1.00 15.11 H new ATOM 0 HB3 GLU A 80 28.463 22.209 -15.602 1.00 15.11 H new ATOM 0 HG2 GLU A 80 30.806 21.724 -14.989 1.00 61.50 H new ATOM 0 HG3 GLU A 80 30.486 23.445 -15.070 1.00 61.50 H new ATOM 1296 N SER A 81 27.900 24.667 -15.841 1.00 75.21 N ATOM 1297 CA SER A 81 27.300 25.503 -16.875 1.00 25.30 C ATOM 1298 C SER A 81 27.232 24.757 -18.204 1.00 52.02 C ATOM 1299 O SER A 81 26.336 25.028 -19.002 1.00 41.24 O ATOM 1300 CB SER A 81 28.101 26.795 -17.043 1.00 44.30 C ATOM 1301 OG SER A 81 27.387 27.908 -16.534 1.00 74.00 O ATOM 0 H SER A 81 28.903 24.515 -15.951 1.00 75.21 H new ATOM 0 HA SER A 81 26.285 25.751 -16.565 1.00 25.30 H new ATOM 0 HB2 SER A 81 29.056 26.704 -16.526 1.00 44.30 H new ATOM 0 HB3 SER A 81 28.324 26.954 -18.098 1.00 44.30 H new ATOM 0 HG SER A 81 27.921 28.721 -16.652 1.00 74.00 H new HETATM 1307 N NH2 A 90 28.169 23.844 -18.410 1.00 65.12 N TER 1309 NH2 A 90