USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 676 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 27 GLN : amide:sc= 0.0372 K(o=-1.2,f=-3.5!) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.25! K(o=-1.2!,f=-3.4) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -172:sc= 0.784 (180deg=0) USER MOD Set 2.2: A 11 THR OG1 : rot 111:sc= 0.687 USER MOD Set 3.1: A 8 LYS NZ :NH3+ 153:sc= 1.63 (180deg=0.18) USER MOD Set 3.2: A 78 GLN : amide:sc= 0.952 K(o=2.6,f=-4.9) USER MOD Single : A 1 TRP N :NH3+ 143:sc= -0.121 (180deg=-0.664!) USER MOD Single : A 5 CYS SG : rot 172:sc= -1.9! USER MOD Single : A 12 HIS : no HE2:sc= 0.148 K(o=0.15,f=-0.56) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -47:sc= 0.217 USER MOD Single : A 21 THR OG1 : rot -111:sc= 0.712 USER MOD Single : A 29 GLN : amide:sc= -2.45! C(o=-2.5!,f=-3.9!) USER MOD Single : A 34 THR OG1 : rot -10:sc= 0.328 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -29:sc= 0.35 USER MOD Single : A 67 GLN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -155:sc= -1.73 (180deg=-2.44!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.218 -0.464 -0.880 1.00 0.00 N ATOM 2 CA TRP A 1 2.189 -0.093 -1.922 1.00 0.00 C ATOM 3 C TRP A 1 3.595 -0.502 -1.458 1.00 0.00 C ATOM 4 O TRP A 1 4.248 0.227 -0.697 1.00 0.00 O ATOM 5 CB TRP A 1 2.112 1.426 -2.242 1.00 0.00 C ATOM 6 CG TRP A 1 0.816 1.888 -2.882 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.452 1.450 -2.621 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.678 2.910 -3.880 1.00 0.00 C ATOM 9 NE1 TRP A 1 -1.355 2.112 -3.410 1.00 0.00 N ATOM 10 CE2 TRP A 1 -0.685 3.015 -4.189 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.584 3.738 -4.544 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -1.169 3.911 -5.134 1.00 0.00 C ATOM 13 CZ3 TRP A 1 1.106 4.629 -5.477 1.00 0.00 C ATOM 14 CH2 TRP A 1 -0.256 4.712 -5.768 1.00 0.00 C ATOM 0 H1 TRP A 1 0.478 0.264 -0.820 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.785 -1.379 -1.119 1.00 0.00 H new ATOM 0 H3 TRP A 1 1.704 -0.540 0.036 1.00 0.00 H new ATOM 0 HA TRP A 1 1.952 -0.620 -2.846 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.260 1.984 -1.317 1.00 0.00 H new ATOM 0 HB3 TRP A 1 2.938 1.683 -2.905 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.706 0.691 -1.896 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -2.363 1.957 -3.416 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.641 3.680 -4.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -2.223 3.974 -5.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 1.798 5.277 -5.994 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -0.597 5.421 -6.507 1.00 0.00 H new ATOM 27 N ARG A 2 4.031 -1.703 -1.890 1.00 0.00 N ATOM 28 CA ARG A 2 5.361 -2.260 -1.564 1.00 0.00 C ATOM 29 C ARG A 2 6.395 -1.786 -2.618 1.00 0.00 C ATOM 30 O ARG A 2 6.970 -2.569 -3.394 1.00 0.00 O ATOM 31 CB ARG A 2 5.285 -3.817 -1.465 1.00 0.00 C ATOM 32 CG ARG A 2 4.771 -4.542 -2.739 1.00 0.00 C ATOM 33 CD ARG A 2 4.941 -6.066 -2.660 1.00 0.00 C ATOM 34 NE ARG A 2 4.616 -6.720 -3.941 1.00 0.00 N ATOM 35 CZ ARG A 2 5.100 -7.906 -4.350 1.00 0.00 C ATOM 36 NH1 ARG A 2 5.930 -8.611 -3.590 1.00 0.00 N ATOM 37 NH2 ARG A 2 4.758 -8.370 -5.541 1.00 0.00 N ATOM 0 H ARG A 2 3.468 -2.317 -2.478 1.00 0.00 H new ATOM 0 HA ARG A 2 5.688 -1.894 -0.591 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.278 -4.198 -1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.634 -4.080 -0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.718 -4.305 -2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.308 -4.165 -3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.968 -6.303 -2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.297 -6.463 -1.875 1.00 0.00 H new ATOM 0 HE ARG A 2 3.973 -6.234 -4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.212 -8.255 -2.677 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.285 -9.508 -3.920 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.133 -7.829 -6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.119 -9.268 -5.861 1.00 0.00 H new ATOM 51 N VAL A 3 6.626 -0.474 -2.623 1.00 0.00 N ATOM 52 CA VAL A 3 7.391 0.203 -3.685 1.00 0.00 C ATOM 53 C VAL A 3 8.908 0.019 -3.493 1.00 0.00 C ATOM 54 O VAL A 3 9.405 0.010 -2.368 1.00 0.00 O ATOM 55 CB VAL A 3 7.032 1.723 -3.714 1.00 0.00 C ATOM 56 CG1 VAL A 3 7.731 2.459 -4.876 1.00 0.00 C ATOM 57 CG2 VAL A 3 5.499 1.924 -3.768 1.00 0.00 C ATOM 0 H VAL A 3 6.291 0.155 -1.894 1.00 0.00 H new ATOM 0 HA VAL A 3 7.119 -0.251 -4.638 1.00 0.00 H new ATOM 0 HB VAL A 3 7.403 2.163 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.453 3.513 -4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.812 2.366 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.422 2.018 -5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.272 2.990 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.102 1.452 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.042 1.472 -2.888 1.00 0.00 H new ATOM 67 N ARG A 4 9.617 -0.122 -4.617 1.00 0.00 N ATOM 68 CA ARG A 4 11.080 -0.283 -4.662 1.00 0.00 C ATOM 69 C ARG A 4 11.749 1.071 -4.978 1.00 0.00 C ATOM 70 O ARG A 4 11.230 1.851 -5.789 1.00 0.00 O ATOM 71 CB ARG A 4 11.429 -1.337 -5.736 1.00 0.00 C ATOM 72 CG ARG A 4 10.872 -2.749 -5.441 1.00 0.00 C ATOM 73 CD ARG A 4 10.891 -3.668 -6.666 1.00 0.00 C ATOM 74 NE ARG A 4 9.903 -3.233 -7.673 1.00 0.00 N ATOM 75 CZ ARG A 4 9.993 -3.448 -8.988 1.00 0.00 C ATOM 76 NH1 ARG A 4 11.077 -3.982 -9.520 1.00 0.00 N ATOM 77 NH2 ARG A 4 8.987 -3.095 -9.762 1.00 0.00 N ATOM 0 H ARG A 4 9.185 -0.128 -5.541 1.00 0.00 H new ATOM 0 HA ARG A 4 11.452 -0.622 -3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.044 -1.000 -6.698 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.513 -1.398 -5.830 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.457 -3.205 -4.643 1.00 0.00 H new ATOM 0 HG3 ARG A 4 9.849 -2.661 -5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.888 -3.670 -7.107 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.676 -4.692 -6.360 1.00 0.00 H new ATOM 0 HE ARG A 4 9.084 -2.726 -7.337 1.00 0.00 H new ATOM 0 HH11 ARG A 4 11.864 -4.238 -8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.127 -4.139 -10.527 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.157 -2.665 -9.355 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.039 -3.252 -10.769 1.00 0.00 H new ATOM 91 N CYS A 5 12.909 1.324 -4.349 1.00 0.00 N ATOM 92 CA CYS A 5 13.680 2.566 -4.504 1.00 0.00 C ATOM 93 C CYS A 5 15.183 2.242 -4.653 1.00 0.00 C ATOM 94 O CYS A 5 15.868 1.945 -3.670 1.00 0.00 O ATOM 95 CB CYS A 5 13.417 3.519 -3.310 1.00 0.00 C ATOM 96 SG CYS A 5 11.689 4.048 -3.169 1.00 0.00 S ATOM 0 H CYS A 5 13.343 0.659 -3.708 1.00 0.00 H new ATOM 0 HA CYS A 5 13.356 3.078 -5.410 1.00 0.00 H new ATOM 0 HB2 CYS A 5 13.712 3.021 -2.387 1.00 0.00 H new ATOM 0 HB3 CYS A 5 14.050 4.400 -3.413 1.00 0.00 H new ATOM 0 HG CYS A 5 11.524 4.698 -2.055 1.00 0.00 H new ATOM 102 N LYS A 6 15.661 2.259 -5.910 1.00 0.00 N ATOM 103 CA LYS A 6 17.071 2.016 -6.266 1.00 0.00 C ATOM 104 C LYS A 6 17.911 3.246 -5.894 1.00 0.00 C ATOM 105 O LYS A 6 17.726 4.303 -6.494 1.00 0.00 O ATOM 106 CB LYS A 6 17.177 1.752 -7.798 1.00 0.00 C ATOM 107 CG LYS A 6 18.613 1.516 -8.341 1.00 0.00 C ATOM 108 CD LYS A 6 19.171 0.107 -8.024 1.00 0.00 C ATOM 109 CE LYS A 6 18.440 -1.010 -8.804 1.00 0.00 C ATOM 110 NZ LYS A 6 19.050 -2.344 -8.573 1.00 0.00 N ATOM 0 H LYS A 6 15.069 2.445 -6.720 1.00 0.00 H new ATOM 0 HA LYS A 6 17.443 1.148 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.568 0.881 -8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.743 2.602 -8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.613 1.663 -9.421 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.281 2.266 -7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.234 0.078 -8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.082 -0.083 -6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.392 -1.034 -8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.462 -0.781 -9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.619 -3.039 -9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.073 -2.294 -8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.886 -2.635 -7.588 1.00 0.00 H new ATOM 124 N ALA A 7 18.815 3.120 -4.913 1.00 0.00 N ATOM 125 CA ALA A 7 19.677 4.232 -4.475 1.00 0.00 C ATOM 126 C ALA A 7 21.144 3.784 -4.440 1.00 0.00 C ATOM 127 O ALA A 7 21.563 3.080 -3.514 1.00 0.00 O ATOM 128 CB ALA A 7 19.211 4.758 -3.117 1.00 0.00 C ATOM 0 H ALA A 7 18.971 2.251 -4.402 1.00 0.00 H new ATOM 0 HA ALA A 7 19.600 5.051 -5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.856 5.579 -2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.184 5.114 -3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 7 19.261 3.957 -2.380 1.00 0.00 H new ATOM 134 N LYS A 8 21.894 4.170 -5.499 1.00 0.00 N ATOM 135 CA LYS A 8 23.328 3.845 -5.691 1.00 0.00 C ATOM 136 C LYS A 8 23.591 2.322 -5.740 1.00 0.00 C ATOM 137 O LYS A 8 24.718 1.874 -5.522 1.00 0.00 O ATOM 138 CB LYS A 8 24.216 4.557 -4.612 1.00 0.00 C ATOM 139 CG LYS A 8 24.268 6.104 -4.735 1.00 0.00 C ATOM 140 CD LYS A 8 24.747 6.559 -6.135 1.00 0.00 C ATOM 141 CE LYS A 8 24.975 8.072 -6.254 1.00 0.00 C ATOM 142 NZ LYS A 8 26.040 8.557 -5.347 1.00 0.00 N ATOM 0 H LYS A 8 21.510 4.729 -6.261 1.00 0.00 H new ATOM 0 HA LYS A 8 23.615 4.233 -6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.840 4.297 -3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.231 4.166 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 8 23.278 6.517 -4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 8 24.938 6.506 -3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 8 25.676 6.042 -6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 8 24.010 6.253 -6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 8 25.239 8.317 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.045 8.595 -6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 26.473 9.414 -5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 25.630 8.778 -4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 26.766 7.820 -5.239 1.00 0.00 H new ATOM 156 N GLY A 9 22.548 1.546 -6.097 1.00 0.00 N ATOM 157 CA GLY A 9 22.612 0.081 -6.109 1.00 0.00 C ATOM 158 C GLY A 9 21.795 -0.531 -4.978 1.00 0.00 C ATOM 159 O GLY A 9 21.267 -1.641 -5.118 1.00 0.00 O ATOM 0 H GLY A 9 21.644 1.921 -6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 9 22.244 -0.291 -7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 9 23.651 -0.238 -6.021 1.00 0.00 H new ATOM 163 N GLY A 10 21.716 0.201 -3.842 1.00 0.00 N ATOM 164 CA GLY A 10 20.933 -0.211 -2.674 1.00 0.00 C ATOM 165 C GLY A 10 19.434 -0.086 -2.919 1.00 0.00 C ATOM 166 O GLY A 10 18.830 0.965 -2.642 1.00 0.00 O ATOM 0 H GLY A 10 22.197 1.092 -3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.174 -1.244 -2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.212 0.401 -1.816 1.00 0.00 H new ATOM 170 N THR A 11 18.851 -1.151 -3.487 1.00 0.00 N ATOM 171 CA THR A 11 17.419 -1.231 -3.789 1.00 0.00 C ATOM 172 C THR A 11 16.639 -1.515 -2.489 1.00 0.00 C ATOM 173 O THR A 11 16.758 -2.601 -1.911 1.00 0.00 O ATOM 174 CB THR A 11 17.136 -2.348 -4.853 1.00 0.00 C ATOM 175 OG1 THR A 11 18.172 -2.336 -5.839 1.00 0.00 O ATOM 176 CG2 THR A 11 15.775 -2.152 -5.547 1.00 0.00 C ATOM 0 H THR A 11 19.368 -1.989 -3.752 1.00 0.00 H new ATOM 0 HA THR A 11 17.090 -0.280 -4.208 1.00 0.00 H new ATOM 0 HB THR A 11 17.112 -3.305 -4.332 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.717 -3.146 -5.751 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.620 -2.948 -6.276 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.979 -2.182 -4.803 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.761 -1.187 -6.055 1.00 0.00 H new ATOM 184 N HIS A 12 15.868 -0.523 -2.031 1.00 0.00 N ATOM 185 CA HIS A 12 15.160 -0.559 -0.736 1.00 0.00 C ATOM 186 C HIS A 12 13.642 -0.615 -0.945 1.00 0.00 C ATOM 187 O HIS A 12 13.129 -0.136 -1.954 1.00 0.00 O ATOM 188 CB HIS A 12 15.560 0.674 0.106 1.00 0.00 C ATOM 189 CG HIS A 12 16.896 0.537 0.785 1.00 0.00 C ATOM 190 ND1 HIS A 12 18.075 1.024 0.262 1.00 0.00 N ATOM 191 CD2 HIS A 12 17.226 -0.057 1.956 1.00 0.00 C ATOM 192 CE1 HIS A 12 19.062 0.750 1.094 1.00 0.00 C ATOM 193 NE2 HIS A 12 18.576 0.094 2.123 1.00 0.00 N ATOM 0 H HIS A 12 15.713 0.340 -2.552 1.00 0.00 H new ATOM 0 HA HIS A 12 15.449 -1.461 -0.197 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.579 1.552 -0.539 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.795 0.850 0.862 1.00 0.00 H new ATOM 0 HD1 HIS A 12 18.169 1.517 -0.626 1.00 0.00 H new ATOM 0 HD2 HIS A 12 16.549 -0.557 2.633 1.00 0.00 H new ATOM 0 HE1 HIS A 12 20.098 1.020 0.952 1.00 0.00 H new ATOM 202 N LEU A 13 12.939 -1.210 0.021 1.00 0.00 N ATOM 203 CA LEU A 13 11.499 -1.489 -0.080 1.00 0.00 C ATOM 204 C LEU A 13 10.747 -0.622 0.955 1.00 0.00 C ATOM 205 O LEU A 13 10.931 -0.793 2.165 1.00 0.00 O ATOM 206 CB LEU A 13 11.262 -3.025 0.137 1.00 0.00 C ATOM 207 CG LEU A 13 9.985 -3.668 -0.511 1.00 0.00 C ATOM 208 CD1 LEU A 13 8.687 -3.117 0.085 1.00 0.00 C ATOM 209 CD2 LEU A 13 10.001 -3.518 -2.045 1.00 0.00 C ATOM 0 H LEU A 13 13.353 -1.515 0.902 1.00 0.00 H new ATOM 0 HA LEU A 13 11.114 -1.232 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.134 -3.556 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.221 -3.209 1.211 1.00 0.00 H new ATOM 0 HG LEU A 13 10.014 -4.732 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.834 -3.594 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.661 -3.324 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.640 -2.040 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.104 -3.973 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.028 -2.460 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.883 -4.014 -2.450 1.00 0.00 H new ATOM 221 N LEU A 14 9.944 0.338 0.461 1.00 0.00 N ATOM 222 CA LEU A 14 9.104 1.207 1.294 1.00 0.00 C ATOM 223 C LEU A 14 7.642 0.714 1.222 1.00 0.00 C ATOM 224 O LEU A 14 6.927 1.008 0.252 1.00 0.00 O ATOM 225 CB LEU A 14 9.189 2.712 0.847 1.00 0.00 C ATOM 226 CG LEU A 14 10.562 3.452 1.017 1.00 0.00 C ATOM 227 CD1 LEU A 14 11.678 2.867 0.118 1.00 0.00 C ATOM 228 CD2 LEU A 14 10.398 4.975 0.775 1.00 0.00 C ATOM 0 H LEU A 14 9.862 0.531 -0.537 1.00 0.00 H new ATOM 0 HA LEU A 14 9.470 1.154 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.909 2.765 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.437 3.270 1.405 1.00 0.00 H new ATOM 0 HG LEU A 14 10.879 3.290 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.603 3.420 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.834 1.818 0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.384 2.951 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.362 5.469 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.030 5.145 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.687 5.383 1.493 1.00 0.00 H new ATOM 240 N GLN A 15 7.221 -0.081 2.232 1.00 0.00 N ATOM 241 CA GLN A 15 5.798 -0.464 2.433 1.00 0.00 C ATOM 242 C GLN A 15 5.006 0.683 3.101 1.00 0.00 C ATOM 243 O GLN A 15 3.776 0.622 3.171 1.00 0.00 O ATOM 244 CB GLN A 15 5.685 -1.755 3.298 1.00 0.00 C ATOM 245 CG GLN A 15 6.170 -3.041 2.599 1.00 0.00 C ATOM 246 CD GLN A 15 6.114 -4.299 3.476 1.00 0.00 C ATOM 247 OE1 GLN A 15 5.268 -4.430 4.346 1.00 0.00 O ATOM 248 NE2 GLN A 15 7.016 -5.241 3.259 1.00 0.00 N ATOM 0 H GLN A 15 7.852 -0.475 2.930 1.00 0.00 H new ATOM 0 HA GLN A 15 5.369 -0.661 1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.261 -1.615 4.213 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.644 -1.888 3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.564 -3.207 1.708 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.196 -2.892 2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.717 -5.117 2.528 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.011 -6.091 3.822 1.00 0.00 H new ATOM 257 N GLY A 16 5.729 1.706 3.602 1.00 0.00 N ATOM 258 CA GLY A 16 5.112 2.863 4.262 1.00 0.00 C ATOM 259 C GLY A 16 4.394 3.816 3.306 1.00 0.00 C ATOM 260 O GLY A 16 3.698 4.739 3.752 1.00 0.00 O ATOM 0 H GLY A 16 6.747 1.749 3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.400 2.506 5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.883 3.416 4.798 1.00 0.00 H new ATOM 264 N LEU A 17 4.572 3.611 1.988 1.00 0.00 N ATOM 265 CA LEU A 17 3.936 4.442 0.957 1.00 0.00 C ATOM 266 C LEU A 17 2.462 4.034 0.773 1.00 0.00 C ATOM 267 O LEU A 17 2.149 2.857 0.596 1.00 0.00 O ATOM 268 CB LEU A 17 4.717 4.342 -0.382 1.00 0.00 C ATOM 269 CG LEU A 17 6.221 4.777 -0.320 1.00 0.00 C ATOM 270 CD1 LEU A 17 6.883 4.727 -1.709 1.00 0.00 C ATOM 271 CD2 LEU A 17 6.377 6.181 0.300 1.00 0.00 C ATOM 0 H LEU A 17 5.159 2.867 1.612 1.00 0.00 H new ATOM 0 HA LEU A 17 3.961 5.482 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.669 3.312 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.209 4.957 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 17 6.732 4.061 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.925 5.035 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.835 3.710 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.358 5.400 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.433 6.451 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.832 6.908 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.977 6.178 1.314 1.00 0.00 H new ATOM 283 N SER A 18 1.580 5.021 0.909 1.00 0.00 N ATOM 284 CA SER A 18 0.144 4.927 0.602 1.00 0.00 C ATOM 285 C SER A 18 -0.145 5.630 -0.744 1.00 0.00 C ATOM 286 O SER A 18 0.773 6.135 -1.388 1.00 0.00 O ATOM 287 CB SER A 18 -0.663 5.573 1.756 1.00 0.00 C ATOM 288 OG SER A 18 -0.373 4.953 3.003 1.00 0.00 O ATOM 0 H SER A 18 1.849 5.944 1.248 1.00 0.00 H new ATOM 0 HA SER A 18 -0.155 3.883 0.510 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.430 6.636 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.730 5.491 1.547 1.00 0.00 H new ATOM 0 HG SER A 18 -0.896 5.383 3.712 1.00 0.00 H new ATOM 294 N SER A 19 -1.423 5.668 -1.152 1.00 0.00 N ATOM 295 CA SER A 19 -1.840 6.275 -2.437 1.00 0.00 C ATOM 296 C SER A 19 -1.596 7.800 -2.465 1.00 0.00 C ATOM 297 O SER A 19 -1.163 8.345 -3.486 1.00 0.00 O ATOM 298 CB SER A 19 -3.328 5.964 -2.709 1.00 0.00 C ATOM 299 OG SER A 19 -3.563 4.565 -2.731 1.00 0.00 O ATOM 0 H SER A 19 -2.196 5.283 -0.609 1.00 0.00 H new ATOM 0 HA SER A 19 -1.227 5.835 -3.224 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.946 6.427 -1.940 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.625 6.401 -3.662 1.00 0.00 H new ATOM 0 HG SER A 19 -2.881 4.127 -3.282 1.00 0.00 H new ATOM 305 N ARG A 20 -1.867 8.478 -1.333 1.00 0.00 N ATOM 306 CA ARG A 20 -1.792 9.958 -1.244 1.00 0.00 C ATOM 307 C ARG A 20 -0.530 10.433 -0.493 1.00 0.00 C ATOM 308 O ARG A 20 -0.526 11.523 0.102 1.00 0.00 O ATOM 309 CB ARG A 20 -3.074 10.531 -0.573 1.00 0.00 C ATOM 310 CG ARG A 20 -3.298 10.073 0.888 1.00 0.00 C ATOM 311 CD ARG A 20 -4.520 10.742 1.537 1.00 0.00 C ATOM 312 NE ARG A 20 -5.754 10.500 0.774 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.831 11.299 0.761 1.00 0.00 C ATOM 314 NH1 ARG A 20 -6.859 12.434 1.453 1.00 0.00 N ATOM 315 NH2 ARG A 20 -7.878 10.949 0.042 1.00 0.00 N ATOM 0 H ARG A 20 -2.142 8.026 -0.461 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.725 10.339 -2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.024 11.620 -0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.940 10.240 -1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.427 8.991 0.910 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.409 10.300 1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.642 10.365 2.552 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.347 11.815 1.614 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.794 9.653 0.207 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.050 12.713 2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.689 13.026 1.428 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.862 10.081 -0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.705 11.546 0.021 1.00 0.00 H new ATOM 329 N THR A 21 0.543 9.640 -0.565 1.00 0.00 N ATOM 330 CA THR A 21 1.845 10.008 0.006 1.00 0.00 C ATOM 331 C THR A 21 2.438 11.253 -0.700 1.00 0.00 C ATOM 332 O THR A 21 2.890 11.174 -1.851 1.00 0.00 O ATOM 333 CB THR A 21 2.808 8.793 -0.067 1.00 0.00 C ATOM 334 OG1 THR A 21 2.246 7.720 0.676 1.00 0.00 O ATOM 335 CG2 THR A 21 4.202 9.088 0.476 1.00 0.00 C ATOM 0 H THR A 21 0.535 8.727 -1.019 1.00 0.00 H new ATOM 0 HA THR A 21 1.708 10.278 1.053 1.00 0.00 H new ATOM 0 HB THR A 21 2.924 8.541 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.784 7.561 1.480 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.821 8.195 0.394 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.653 9.896 -0.099 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.130 9.384 1.523 1.00 0.00 H new ATOM 343 N ARG A 22 2.367 12.398 0.009 1.00 0.00 N ATOM 344 CA ARG A 22 2.868 13.718 -0.455 1.00 0.00 C ATOM 345 C ARG A 22 4.410 13.713 -0.575 1.00 0.00 C ATOM 346 O ARG A 22 5.031 12.743 -0.170 1.00 0.00 O ATOM 347 CB ARG A 22 2.399 14.800 0.555 1.00 0.00 C ATOM 348 CG ARG A 22 0.855 14.889 0.700 1.00 0.00 C ATOM 349 CD ARG A 22 0.386 15.514 2.031 1.00 0.00 C ATOM 350 NE ARG A 22 0.666 14.631 3.191 1.00 0.00 N ATOM 351 CZ ARG A 22 0.107 14.741 4.412 1.00 0.00 C ATOM 352 NH1 ARG A 22 -0.775 15.690 4.669 1.00 0.00 N ATOM 353 NH2 ARG A 22 0.429 13.872 5.361 1.00 0.00 N ATOM 0 H ARG A 22 1.952 12.437 0.940 1.00 0.00 H new ATOM 0 HA ARG A 22 2.468 13.936 -1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.835 14.587 1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.782 15.770 0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.456 15.477 -0.127 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.433 13.888 0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.884 16.472 2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.684 15.716 1.979 1.00 0.00 H new ATOM 0 HE ARG A 22 1.339 13.877 3.052 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.041 16.351 3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.191 15.762 5.598 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.096 13.126 5.164 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.009 13.950 6.287 1.00 0.00 H new ATOM 367 N LEU A 23 5.016 14.807 -1.115 1.00 0.00 N ATOM 368 CA LEU A 23 6.504 14.954 -1.233 1.00 0.00 C ATOM 369 C LEU A 23 7.162 14.767 0.153 1.00 0.00 C ATOM 370 O LEU A 23 8.099 13.972 0.305 1.00 0.00 O ATOM 371 CB LEU A 23 6.862 16.357 -1.847 1.00 0.00 C ATOM 372 CG LEU A 23 8.373 16.683 -2.229 1.00 0.00 C ATOM 373 CD1 LEU A 23 8.463 17.966 -3.084 1.00 0.00 C ATOM 374 CD2 LEU A 23 9.319 16.831 -1.006 1.00 0.00 C ATOM 0 H LEU A 23 4.498 15.607 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 23 6.891 14.185 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.263 16.481 -2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.533 17.117 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 23 8.711 15.817 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.506 18.166 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.892 17.832 -4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.055 18.807 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.329 17.052 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.967 17.643 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.326 15.901 -0.437 1.00 0.00 H new ATOM 386 N ARG A 24 6.638 15.510 1.148 1.00 0.00 N ATOM 387 CA ARG A 24 7.128 15.483 2.552 1.00 0.00 C ATOM 388 C ARG A 24 7.097 14.065 3.168 1.00 0.00 C ATOM 389 O ARG A 24 7.872 13.755 4.082 1.00 0.00 O ATOM 390 CB ARG A 24 6.294 16.451 3.434 1.00 0.00 C ATOM 391 CG ARG A 24 4.755 16.230 3.381 1.00 0.00 C ATOM 392 CD ARG A 24 4.016 16.777 4.619 1.00 0.00 C ATOM 393 NE ARG A 24 4.404 18.159 4.945 1.00 0.00 N ATOM 394 CZ ARG A 24 4.169 18.776 6.112 1.00 0.00 C ATOM 395 NH1 ARG A 24 3.541 18.163 7.102 1.00 0.00 N ATOM 396 NH2 ARG A 24 4.579 20.017 6.281 1.00 0.00 N ATOM 0 H ARG A 24 5.858 16.152 1.005 1.00 0.00 H new ATOM 0 HA ARG A 24 8.169 15.806 2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.624 16.352 4.468 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.509 17.474 3.127 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.357 16.710 2.487 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.551 15.163 3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.941 16.737 4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.223 16.134 5.475 1.00 0.00 H new ATOM 0 HE ARG A 24 4.892 18.691 4.224 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.224 17.200 6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.374 18.653 7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.070 20.499 5.528 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.405 20.496 7.165 1.00 0.00 H new ATOM 410 N GLU A 25 6.196 13.220 2.653 1.00 0.00 N ATOM 411 CA GLU A 25 5.999 11.849 3.126 1.00 0.00 C ATOM 412 C GLU A 25 6.856 10.868 2.292 1.00 0.00 C ATOM 413 O GLU A 25 7.365 9.885 2.811 1.00 0.00 O ATOM 414 CB GLU A 25 4.494 11.490 2.999 1.00 0.00 C ATOM 415 CG GLU A 25 3.513 12.545 3.546 1.00 0.00 C ATOM 416 CD GLU A 25 3.550 12.713 5.070 1.00 0.00 C ATOM 417 OE1 GLU A 25 4.382 13.491 5.584 1.00 0.00 O ATOM 418 OE2 GLU A 25 2.735 12.067 5.762 1.00 0.00 O ATOM 0 H GLU A 25 5.575 13.475 1.885 1.00 0.00 H new ATOM 0 HA GLU A 25 6.309 11.770 4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.267 11.318 1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.317 10.549 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.735 13.506 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.501 12.272 3.247 1.00 0.00 H new ATOM 425 N LEU A 26 6.996 11.165 0.987 1.00 0.00 N ATOM 426 CA LEU A 26 7.651 10.280 0.004 1.00 0.00 C ATOM 427 C LEU A 26 9.169 10.429 0.125 1.00 0.00 C ATOM 428 O LEU A 26 9.844 9.531 0.649 1.00 0.00 O ATOM 429 CB LEU A 26 7.094 10.629 -1.428 1.00 0.00 C ATOM 430 CG LEU A 26 7.607 9.816 -2.679 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.872 10.430 -3.301 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.819 8.321 -2.351 1.00 0.00 C ATOM 0 H LEU A 26 6.654 12.036 0.580 1.00 0.00 H new ATOM 0 HA LEU A 26 7.428 9.230 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.010 10.523 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.306 11.682 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 26 6.817 9.882 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.183 9.832 -4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.660 11.448 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.671 10.445 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.172 7.800 -3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.559 8.224 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.876 7.883 -2.024 1.00 0.00 H new ATOM 444 N GLN A 27 9.679 11.612 -0.268 1.00 0.00 N ATOM 445 CA GLN A 27 11.112 11.940 -0.168 1.00 0.00 C ATOM 446 C GLN A 27 11.542 12.061 1.304 1.00 0.00 C ATOM 447 O GLN A 27 12.737 11.976 1.619 1.00 0.00 O ATOM 448 CB GLN A 27 11.452 13.238 -0.943 1.00 0.00 C ATOM 449 CG GLN A 27 11.156 13.188 -2.454 1.00 0.00 C ATOM 450 CD GLN A 27 11.843 14.314 -3.236 1.00 0.00 C ATOM 451 OE1 GLN A 27 11.302 15.408 -3.397 1.00 0.00 O ATOM 452 NE2 GLN A 27 13.045 14.056 -3.726 1.00 0.00 N ATOM 0 H GLN A 27 9.112 12.363 -0.662 1.00 0.00 H new ATOM 0 HA GLN A 27 11.670 11.123 -0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.891 14.063 -0.505 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.509 13.462 -0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.481 12.226 -2.851 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.079 13.249 -2.610 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.470 13.141 -3.578 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.546 14.772 -4.252 1.00 0.00 H new ATOM 461 N GLY A 28 10.545 12.253 2.186 1.00 0.00 N ATOM 462 CA GLY A 28 10.752 12.261 3.629 1.00 0.00 C ATOM 463 C GLY A 28 11.128 10.886 4.164 1.00 0.00 C ATOM 464 O GLY A 28 12.051 10.765 4.980 1.00 0.00 O ATOM 0 H GLY A 28 9.575 12.406 1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.539 12.973 3.877 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.843 12.605 4.123 1.00 0.00 H new ATOM 468 N GLN A 29 10.423 9.828 3.690 1.00 0.00 N ATOM 469 CA GLN A 29 10.728 8.439 4.101 1.00 0.00 C ATOM 470 C GLN A 29 12.015 7.976 3.436 1.00 0.00 C ATOM 471 O GLN A 29 12.796 7.298 4.065 1.00 0.00 O ATOM 472 CB GLN A 29 9.579 7.444 3.789 1.00 0.00 C ATOM 473 CG GLN A 29 8.339 7.622 4.684 1.00 0.00 C ATOM 474 CD GLN A 29 7.241 6.597 4.397 1.00 0.00 C ATOM 475 OE1 GLN A 29 7.145 5.557 5.052 1.00 0.00 O ATOM 476 NE2 GLN A 29 6.464 6.840 3.361 1.00 0.00 N ATOM 0 H GLN A 29 9.649 9.911 3.031 1.00 0.00 H new ATOM 0 HA GLN A 29 10.847 8.448 5.184 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.283 7.562 2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.953 6.426 3.901 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.638 7.542 5.729 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.937 8.625 4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.568 7.710 2.839 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.759 6.158 3.081 1.00 0.00 H new ATOM 485 N ILE A 30 12.223 8.353 2.164 1.00 0.00 N ATOM 486 CA ILE A 30 13.474 8.050 1.421 1.00 0.00 C ATOM 487 C ILE A 30 14.725 8.615 2.165 1.00 0.00 C ATOM 488 O ILE A 30 15.769 7.952 2.241 1.00 0.00 O ATOM 489 CB ILE A 30 13.400 8.613 -0.048 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.234 7.934 -0.847 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.751 8.455 -0.793 1.00 0.00 C ATOM 492 CD1 ILE A 30 11.969 8.522 -2.227 1.00 0.00 C ATOM 0 H ILE A 30 11.538 8.874 1.617 1.00 0.00 H new ATOM 0 HA ILE A 30 13.577 6.966 1.370 1.00 0.00 H new ATOM 0 HB ILE A 30 13.191 9.681 0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.460 6.873 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.320 8.005 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.659 8.855 -1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.528 8.999 -0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.017 7.399 -0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.146 7.986 -2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.707 9.576 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.864 8.426 -2.841 1.00 0.00 H new ATOM 504 N ALA A 31 14.582 9.823 2.743 1.00 0.00 N ATOM 505 CA ALA A 31 15.623 10.457 3.590 1.00 0.00 C ATOM 506 C ALA A 31 15.890 9.639 4.877 1.00 0.00 C ATOM 507 O ALA A 31 16.979 9.700 5.440 1.00 0.00 O ATOM 508 CB ALA A 31 15.218 11.902 3.934 1.00 0.00 C ATOM 0 H ALA A 31 13.742 10.392 2.639 1.00 0.00 H new ATOM 0 HA ALA A 31 16.553 10.477 3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.989 12.358 4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.106 12.477 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.272 11.896 4.475 1.00 0.00 H new ATOM 514 N ALA A 32 14.872 8.881 5.313 1.00 0.00 N ATOM 515 CA ALA A 32 14.936 8.019 6.511 1.00 0.00 C ATOM 516 C ALA A 32 15.365 6.579 6.156 1.00 0.00 C ATOM 517 O ALA A 32 15.892 5.854 7.010 1.00 0.00 O ATOM 518 CB ALA A 32 13.572 8.018 7.225 1.00 0.00 C ATOM 0 H ALA A 32 13.969 8.847 4.840 1.00 0.00 H new ATOM 0 HA ALA A 32 15.693 8.426 7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.624 7.381 8.108 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.318 9.034 7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.807 7.638 6.548 1.00 0.00 H new ATOM 524 N ILE A 33 15.147 6.178 4.891 1.00 0.00 N ATOM 525 CA ILE A 33 15.423 4.819 4.402 1.00 0.00 C ATOM 526 C ILE A 33 16.889 4.716 3.940 1.00 0.00 C ATOM 527 O ILE A 33 17.707 4.082 4.597 1.00 0.00 O ATOM 528 CB ILE A 33 14.435 4.440 3.220 1.00 0.00 C ATOM 529 CG1 ILE A 33 12.958 4.288 3.727 1.00 0.00 C ATOM 530 CG2 ILE A 33 14.885 3.172 2.468 1.00 0.00 C ATOM 531 CD1 ILE A 33 12.682 3.071 4.593 1.00 0.00 C ATOM 0 H ILE A 33 14.770 6.797 4.173 1.00 0.00 H new ATOM 0 HA ILE A 33 15.262 4.112 5.216 1.00 0.00 H new ATOM 0 HB ILE A 33 14.467 5.269 2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.694 5.181 4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.298 4.252 2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.177 2.953 1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 33 15.875 3.334 2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 33 14.921 2.331 3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.633 3.064 4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.907 2.165 4.030 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.309 3.109 5.484 1.00 0.00 H new ATOM 543 N THR A 34 17.215 5.391 2.830 1.00 0.00 N ATOM 544 CA THR A 34 18.549 5.312 2.194 1.00 0.00 C ATOM 545 C THR A 34 19.454 6.480 2.632 1.00 0.00 C ATOM 546 O THR A 34 20.668 6.459 2.392 1.00 0.00 O ATOM 547 CB THR A 34 18.417 5.247 0.635 1.00 0.00 C ATOM 548 OG1 THR A 34 19.706 5.344 0.010 1.00 0.00 O ATOM 549 CG2 THR A 34 17.490 6.333 0.075 1.00 0.00 C ATOM 0 H THR A 34 16.566 6.009 2.343 1.00 0.00 H new ATOM 0 HA THR A 34 19.026 4.391 2.531 1.00 0.00 H new ATOM 0 HB THR A 34 17.970 4.280 0.404 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.378 5.586 0.681 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.435 6.241 -1.010 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.493 6.215 0.500 1.00 0.00 H new ATOM 0 HG23 THR A 34 17.882 7.316 0.336 1.00 0.00 H new ATOM 557 N GLY A 35 18.862 7.487 3.289 1.00 0.00 N ATOM 558 CA GLY A 35 19.625 8.601 3.852 1.00 0.00 C ATOM 559 C GLY A 35 19.940 9.699 2.852 1.00 0.00 C ATOM 560 O GLY A 35 20.775 10.568 3.134 1.00 0.00 O ATOM 0 H GLY A 35 17.855 7.550 3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.064 9.030 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.559 8.218 4.262 1.00 0.00 H new ATOM 564 N ILE A 36 19.287 9.663 1.676 1.00 0.00 N ATOM 565 CA ILE A 36 19.435 10.722 0.668 1.00 0.00 C ATOM 566 C ILE A 36 18.434 11.839 1.005 1.00 0.00 C ATOM 567 O ILE A 36 17.218 11.604 0.954 1.00 0.00 O ATOM 568 CB ILE A 36 19.180 10.218 -0.810 1.00 0.00 C ATOM 569 CG1 ILE A 36 19.860 8.832 -1.101 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.645 11.289 -1.833 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.353 8.736 -0.825 1.00 0.00 C ATOM 0 H ILE A 36 18.653 8.912 1.403 1.00 0.00 H new ATOM 0 HA ILE A 36 20.466 11.075 0.701 1.00 0.00 H new ATOM 0 HB ILE A 36 18.106 10.066 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.354 8.072 -0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 36 19.690 8.582 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.463 10.928 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 36 19.089 12.212 -1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.710 11.480 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 36 21.704 7.732 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 36 21.884 9.462 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.543 8.945 0.228 1.00 0.00 H new ATOM 583 N ALA A 37 18.954 13.028 1.382 1.00 0.00 N ATOM 584 CA ALA A 37 18.136 14.223 1.706 1.00 0.00 C ATOM 585 C ALA A 37 17.164 14.564 0.555 1.00 0.00 C ATOM 586 O ALA A 37 17.560 14.432 -0.598 1.00 0.00 O ATOM 587 CB ALA A 37 19.060 15.422 1.996 1.00 0.00 C ATOM 0 H ALA A 37 19.957 13.189 1.471 1.00 0.00 H new ATOM 0 HA ALA A 37 17.540 14.002 2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 37 18.456 16.298 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.707 15.187 2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.672 15.630 1.118 1.00 0.00 H new ATOM 593 N PRO A 38 15.892 15.022 0.850 1.00 0.00 N ATOM 594 CA PRO A 38 14.854 15.291 -0.195 1.00 0.00 C ATOM 595 C PRO A 38 15.306 16.324 -1.258 1.00 0.00 C ATOM 596 O PRO A 38 14.814 16.307 -2.394 1.00 0.00 O ATOM 597 CB PRO A 38 13.628 15.786 0.624 1.00 0.00 C ATOM 598 CG PRO A 38 14.190 16.220 1.943 1.00 0.00 C ATOM 599 CD PRO A 38 15.364 15.311 2.213 1.00 0.00 C ATOM 0 HA PRO A 38 14.637 14.403 -0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.124 16.610 0.120 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.892 14.992 0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.504 17.263 1.909 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.443 16.137 2.732 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.112 15.795 2.840 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.058 14.400 2.728 1.00 0.00 H new ATOM 607 N GLY A 39 16.262 17.192 -0.879 1.00 0.00 N ATOM 608 CA GLY A 39 16.856 18.177 -1.793 1.00 0.00 C ATOM 609 C GLY A 39 18.133 17.680 -2.469 1.00 0.00 C ATOM 610 O GLY A 39 18.919 18.482 -2.976 1.00 0.00 O ATOM 0 H GLY A 39 16.641 17.228 0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.126 18.439 -2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 39 17.078 19.089 -1.239 1.00 0.00 H new ATOM 614 N SER A 40 18.332 16.353 -2.484 1.00 0.00 N ATOM 615 CA SER A 40 19.500 15.686 -3.091 1.00 0.00 C ATOM 616 C SER A 40 19.047 14.478 -3.930 1.00 0.00 C ATOM 617 O SER A 40 19.854 13.829 -4.585 1.00 0.00 O ATOM 618 CB SER A 40 20.487 15.236 -1.979 1.00 0.00 C ATOM 619 OG SER A 40 20.934 16.335 -1.203 1.00 0.00 O ATOM 0 H SER A 40 17.672 15.697 -2.066 1.00 0.00 H new ATOM 0 HA SER A 40 20.009 16.390 -3.749 1.00 0.00 H new ATOM 0 HB2 SER A 40 19.999 14.507 -1.332 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.344 14.737 -2.432 1.00 0.00 H new ATOM 0 HG SER A 40 21.552 16.018 -0.512 1.00 0.00 H new ATOM 625 N GLN A 41 17.747 14.188 -3.918 1.00 0.00 N ATOM 626 CA GLN A 41 17.154 13.075 -4.675 1.00 0.00 C ATOM 627 C GLN A 41 16.058 13.607 -5.582 1.00 0.00 C ATOM 628 O GLN A 41 15.367 14.576 -5.248 1.00 0.00 O ATOM 629 CB GLN A 41 16.568 11.989 -3.722 1.00 0.00 C ATOM 630 CG GLN A 41 15.962 12.551 -2.418 1.00 0.00 C ATOM 631 CD GLN A 41 14.793 11.778 -1.844 1.00 0.00 C ATOM 632 OE1 GLN A 41 14.013 11.173 -2.574 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.659 11.793 -0.524 1.00 0.00 N ATOM 0 H GLN A 41 17.065 14.721 -3.379 1.00 0.00 H new ATOM 0 HA GLN A 41 17.939 12.611 -5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 41 15.799 11.430 -4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.357 11.281 -3.467 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.748 12.595 -1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 41 15.639 13.576 -2.602 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.327 12.307 0.051 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.888 11.291 -0.084 1.00 0.00 H new ATOM 642 N ARG A 42 15.941 12.974 -6.742 1.00 0.00 N ATOM 643 CA ARG A 42 14.813 13.122 -7.665 1.00 0.00 C ATOM 644 C ARG A 42 14.207 11.729 -7.856 1.00 0.00 C ATOM 645 O ARG A 42 14.809 10.712 -7.461 1.00 0.00 O ATOM 646 CB ARG A 42 15.246 13.732 -9.041 1.00 0.00 C ATOM 647 CG ARG A 42 15.364 15.278 -9.087 1.00 0.00 C ATOM 648 CD ARG A 42 16.469 15.880 -8.191 1.00 0.00 C ATOM 649 NE ARG A 42 17.840 15.523 -8.615 1.00 0.00 N ATOM 650 CZ ARG A 42 18.976 16.079 -8.130 1.00 0.00 C ATOM 651 NH1 ARG A 42 18.943 17.000 -7.182 1.00 0.00 N ATOM 652 NH2 ARG A 42 20.149 15.708 -8.611 1.00 0.00 N ATOM 0 H ARG A 42 16.648 12.322 -7.081 1.00 0.00 H new ATOM 0 HA ARG A 42 14.085 13.817 -7.247 1.00 0.00 H new ATOM 0 HB2 ARG A 42 16.209 13.305 -9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.527 13.419 -9.798 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.548 15.582 -10.117 1.00 0.00 H new ATOM 0 HG3 ARG A 42 14.406 15.708 -8.794 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.370 16.966 -8.188 1.00 0.00 H new ATOM 0 HD3 ARG A 42 16.316 15.543 -7.166 1.00 0.00 H new ATOM 0 HE ARG A 42 17.938 14.801 -9.329 1.00 0.00 H new ATOM 0 HH11 ARG A 42 18.048 17.307 -6.800 1.00 0.00 H new ATOM 0 HH12 ARG A 42 19.812 17.404 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 42 20.199 15.003 -9.347 1.00 0.00 H new ATOM 0 HH22 ARG A 42 21.005 16.126 -8.247 1.00 0.00 H new ATOM 666 N ILE A 43 13.021 11.681 -8.464 1.00 0.00 N ATOM 667 CA ILE A 43 12.306 10.428 -8.700 1.00 0.00 C ATOM 668 C ILE A 43 12.471 10.074 -10.171 1.00 0.00 C ATOM 669 O ILE A 43 12.014 10.804 -11.051 1.00 0.00 O ATOM 670 CB ILE A 43 10.783 10.526 -8.304 1.00 0.00 C ATOM 671 CG1 ILE A 43 10.630 10.929 -6.800 1.00 0.00 C ATOM 672 CG2 ILE A 43 10.031 9.204 -8.603 1.00 0.00 C ATOM 673 CD1 ILE A 43 11.342 10.028 -5.806 1.00 0.00 C ATOM 0 H ILE A 43 12.531 12.508 -8.806 1.00 0.00 H new ATOM 0 HA ILE A 43 12.726 9.645 -8.069 1.00 0.00 H new ATOM 0 HB ILE A 43 10.329 11.305 -8.917 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.003 11.945 -6.675 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.569 10.946 -6.553 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.984 9.308 -8.317 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.096 8.981 -9.668 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.483 8.392 -8.034 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.172 10.396 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.955 9.013 -5.893 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.411 10.028 -6.017 1.00 0.00 H new ATOM 685 N LEU A 44 13.207 9.001 -10.433 1.00 0.00 N ATOM 686 CA LEU A 44 13.424 8.480 -11.787 1.00 0.00 C ATOM 687 C LEU A 44 12.741 7.108 -11.881 1.00 0.00 C ATOM 688 O LEU A 44 12.160 6.643 -10.896 1.00 0.00 O ATOM 689 CB LEU A 44 14.943 8.411 -12.123 1.00 0.00 C ATOM 690 CG LEU A 44 15.781 9.744 -11.961 1.00 0.00 C ATOM 691 CD1 LEU A 44 15.072 10.978 -12.574 1.00 0.00 C ATOM 692 CD2 LEU A 44 16.204 9.997 -10.497 1.00 0.00 C ATOM 0 H LEU A 44 13.677 8.459 -9.708 1.00 0.00 H new ATOM 0 HA LEU A 44 12.985 9.148 -12.528 1.00 0.00 H new ATOM 0 HB2 LEU A 44 15.395 7.649 -11.489 1.00 0.00 H new ATOM 0 HB3 LEU A 44 15.046 8.070 -13.153 1.00 0.00 H new ATOM 0 HG LEU A 44 16.694 9.593 -12.537 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.694 11.862 -12.433 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.912 10.814 -13.640 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.111 11.128 -12.081 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.776 10.923 -10.438 1.00 0.00 H new ATOM 0 HD22 LEU A 44 15.316 10.079 -9.871 1.00 0.00 H new ATOM 0 HD23 LEU A 44 16.819 9.168 -10.147 1.00 0.00 H new ATOM 704 N VAL A 45 12.798 6.468 -13.053 1.00 0.00 N ATOM 705 CA VAL A 45 12.023 5.236 -13.334 1.00 0.00 C ATOM 706 C VAL A 45 12.877 4.196 -14.074 1.00 0.00 C ATOM 707 O VAL A 45 13.948 4.518 -14.602 1.00 0.00 O ATOM 708 CB VAL A 45 10.733 5.563 -14.176 1.00 0.00 C ATOM 709 CG1 VAL A 45 9.607 6.159 -13.296 1.00 0.00 C ATOM 710 CG2 VAL A 45 11.076 6.509 -15.356 1.00 0.00 C ATOM 0 H VAL A 45 13.375 6.779 -13.834 1.00 0.00 H new ATOM 0 HA VAL A 45 11.722 4.816 -12.374 1.00 0.00 H new ATOM 0 HB VAL A 45 10.359 4.624 -14.584 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.735 6.371 -13.915 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.336 5.444 -12.519 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.957 7.082 -12.834 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.172 6.723 -15.926 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.489 7.440 -14.968 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.809 6.030 -16.005 1.00 0.00 H new ATOM 720 N GLY A 46 12.376 2.943 -14.088 1.00 0.00 N ATOM 721 CA GLY A 46 13.058 1.811 -14.724 1.00 0.00 C ATOM 722 C GLY A 46 12.997 1.811 -16.257 1.00 0.00 C ATOM 723 O GLY A 46 13.491 0.879 -16.896 1.00 0.00 O ATOM 0 H GLY A 46 11.486 2.694 -13.656 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.103 1.813 -14.415 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.618 0.884 -14.356 1.00 0.00 H new ATOM 727 N TYR A 47 12.373 2.844 -16.842 1.00 0.00 N ATOM 728 CA TYR A 47 12.394 3.110 -18.294 1.00 0.00 C ATOM 729 C TYR A 47 13.026 4.518 -18.507 1.00 0.00 C ATOM 730 O TYR A 47 13.324 5.172 -17.496 1.00 0.00 O ATOM 731 CB TYR A 47 10.941 2.982 -18.870 1.00 0.00 C ATOM 732 CG TYR A 47 9.958 4.125 -18.520 1.00 0.00 C ATOM 733 CD1 TYR A 47 9.182 4.089 -17.360 1.00 0.00 C ATOM 734 CD2 TYR A 47 9.802 5.232 -19.368 1.00 0.00 C ATOM 735 CE1 TYR A 47 8.298 5.110 -17.055 1.00 0.00 C ATOM 736 CE2 TYR A 47 8.926 6.254 -19.061 1.00 0.00 C ATOM 737 CZ TYR A 47 8.175 6.187 -17.909 1.00 0.00 C ATOM 738 OH TYR A 47 7.294 7.206 -17.611 1.00 0.00 O ATOM 0 H TYR A 47 11.831 3.529 -16.316 1.00 0.00 H new ATOM 0 HA TYR A 47 12.999 2.384 -18.836 1.00 0.00 H new ATOM 0 HB2 TYR A 47 11.009 2.911 -19.956 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.514 2.044 -18.515 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.273 3.249 -16.688 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.379 5.286 -20.279 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.707 5.064 -16.152 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.830 7.103 -19.722 1.00 0.00 H new ATOM 0 HH TYR A 47 7.331 7.887 -18.315 1.00 0.00 H new ATOM 748 N PRO A 48 13.316 4.977 -19.791 1.00 0.00 N ATOM 749 CA PRO A 48 13.776 6.367 -20.099 1.00 0.00 C ATOM 750 C PRO A 48 13.092 7.463 -19.220 1.00 0.00 C ATOM 751 O PRO A 48 11.907 7.776 -19.422 1.00 0.00 O ATOM 752 CB PRO A 48 13.398 6.504 -21.587 1.00 0.00 C ATOM 753 CG PRO A 48 13.653 5.137 -22.151 1.00 0.00 C ATOM 754 CD PRO A 48 13.298 4.155 -21.042 1.00 0.00 C ATOM 0 HA PRO A 48 14.835 6.515 -19.888 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.356 6.799 -21.709 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.004 7.261 -22.085 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.045 4.961 -23.038 1.00 0.00 H new ATOM 0 HG3 PRO A 48 14.695 5.027 -22.452 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.318 3.707 -21.208 1.00 0.00 H new ATOM 0 HD3 PRO A 48 14.018 3.338 -20.990 1.00 0.00 H new ATOM 762 N PRO A 49 13.822 8.010 -18.184 1.00 0.00 N ATOM 763 CA PRO A 49 13.220 8.903 -17.167 1.00 0.00 C ATOM 764 C PRO A 49 12.837 10.282 -17.741 1.00 0.00 C ATOM 765 O PRO A 49 13.507 10.806 -18.635 1.00 0.00 O ATOM 766 CB PRO A 49 14.318 9.008 -16.076 1.00 0.00 C ATOM 767 CG PRO A 49 15.603 8.783 -16.813 1.00 0.00 C ATOM 768 CD PRO A 49 15.279 7.795 -17.918 1.00 0.00 C ATOM 0 HA PRO A 49 12.279 8.513 -16.780 1.00 0.00 H new ATOM 0 HB2 PRO A 49 14.304 9.984 -15.592 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.173 8.262 -15.294 1.00 0.00 H new ATOM 0 HG2 PRO A 49 15.987 9.717 -17.224 1.00 0.00 H new ATOM 0 HG3 PRO A 49 16.371 8.388 -16.148 1.00 0.00 H new ATOM 0 HD2 PRO A 49 15.879 7.982 -18.809 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.481 6.770 -17.608 1.00 0.00 H new ATOM 776 N GLU A 50 11.745 10.846 -17.211 1.00 0.00 N ATOM 777 CA GLU A 50 11.225 12.164 -17.618 1.00 0.00 C ATOM 778 C GLU A 50 11.842 13.288 -16.756 1.00 0.00 C ATOM 779 O GLU A 50 11.505 14.462 -16.945 1.00 0.00 O ATOM 780 CB GLU A 50 9.677 12.150 -17.502 1.00 0.00 C ATOM 781 CG GLU A 50 8.992 11.014 -18.306 1.00 0.00 C ATOM 782 CD GLU A 50 7.467 10.964 -18.106 1.00 0.00 C ATOM 783 OE1 GLU A 50 7.014 10.465 -17.053 1.00 0.00 O ATOM 784 OE2 GLU A 50 6.715 11.422 -18.996 1.00 0.00 O ATOM 0 H GLU A 50 11.190 10.399 -16.481 1.00 0.00 H new ATOM 0 HA GLU A 50 11.504 12.364 -18.653 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.403 12.053 -16.451 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.289 13.109 -17.846 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.209 11.146 -19.366 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.422 10.057 -18.010 1.00 0.00 H new ATOM 791 N CYS A 51 12.768 12.896 -15.833 1.00 0.00 N ATOM 792 CA CYS A 51 13.413 13.793 -14.856 1.00 0.00 C ATOM 793 C CYS A 51 12.350 14.518 -14.005 1.00 0.00 C ATOM 794 O CYS A 51 12.042 15.700 -14.223 1.00 0.00 O ATOM 795 CB CYS A 51 14.374 14.779 -15.557 1.00 0.00 C ATOM 796 SG CYS A 51 15.611 13.987 -16.619 1.00 0.00 S ATOM 0 H CYS A 51 13.085 11.930 -15.755 1.00 0.00 H new ATOM 0 HA CYS A 51 14.019 13.192 -14.178 1.00 0.00 H new ATOM 0 HB2 CYS A 51 13.788 15.474 -16.158 1.00 0.00 H new ATOM 0 HB3 CYS A 51 14.888 15.369 -14.798 1.00 0.00 H new ATOM 0 HG CYS A 51 16.364 14.897 -17.161 1.00 0.00 H new ATOM 802 N LEU A 52 11.752 13.757 -13.076 1.00 0.00 N ATOM 803 CA LEU A 52 10.608 14.216 -12.274 1.00 0.00 C ATOM 804 C LEU A 52 11.099 15.149 -11.150 1.00 0.00 C ATOM 805 O LEU A 52 11.663 14.694 -10.143 1.00 0.00 O ATOM 806 CB LEU A 52 9.839 12.994 -11.698 1.00 0.00 C ATOM 807 CG LEU A 52 9.487 11.864 -12.728 1.00 0.00 C ATOM 808 CD1 LEU A 52 8.914 10.621 -12.013 1.00 0.00 C ATOM 809 CD2 LEU A 52 8.540 12.371 -13.838 1.00 0.00 C ATOM 0 H LEU A 52 12.048 12.805 -12.860 1.00 0.00 H new ATOM 0 HA LEU A 52 9.921 14.778 -12.907 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.436 12.557 -10.897 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.913 13.351 -11.247 1.00 0.00 H new ATOM 0 HG LEU A 52 10.415 11.567 -13.217 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.679 9.853 -12.750 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.651 10.234 -11.309 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.007 10.897 -11.474 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.322 11.557 -14.530 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.612 12.726 -13.390 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.018 13.188 -14.378 1.00 0.00 H new ATOM 821 N ASP A 53 10.928 16.460 -11.386 1.00 0.00 N ATOM 822 CA ASP A 53 11.233 17.512 -10.411 1.00 0.00 C ATOM 823 C ASP A 53 9.979 17.758 -9.559 1.00 0.00 C ATOM 824 O ASP A 53 8.997 18.340 -10.039 1.00 0.00 O ATOM 825 CB ASP A 53 11.673 18.820 -11.133 1.00 0.00 C ATOM 826 CG ASP A 53 11.958 19.975 -10.152 1.00 0.00 C ATOM 827 OD1 ASP A 53 13.012 19.947 -9.489 1.00 0.00 O ATOM 828 OD2 ASP A 53 11.122 20.899 -10.016 1.00 0.00 O ATOM 0 H ASP A 53 10.570 16.820 -12.271 1.00 0.00 H new ATOM 0 HA ASP A 53 12.059 17.198 -9.773 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.568 18.621 -11.723 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.893 19.125 -11.830 1.00 0.00 H new ATOM 833 N LEU A 54 10.003 17.265 -8.312 1.00 0.00 N ATOM 834 CA LEU A 54 8.908 17.455 -7.352 1.00 0.00 C ATOM 835 C LEU A 54 8.952 18.917 -6.862 1.00 0.00 C ATOM 836 O LEU A 54 9.614 19.241 -5.871 1.00 0.00 O ATOM 837 CB LEU A 54 9.002 16.427 -6.181 1.00 0.00 C ATOM 838 CG LEU A 54 8.830 14.898 -6.533 1.00 0.00 C ATOM 839 CD1 LEU A 54 10.029 14.352 -7.335 1.00 0.00 C ATOM 840 CD2 LEU A 54 8.583 14.059 -5.254 1.00 0.00 C ATOM 0 H LEU A 54 10.783 16.723 -7.941 1.00 0.00 H new ATOM 0 HA LEU A 54 7.946 17.271 -7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.972 16.554 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.244 16.689 -5.443 1.00 0.00 H new ATOM 0 HG LEU A 54 7.951 14.809 -7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.869 13.297 -7.556 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.126 14.907 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.941 14.466 -6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.468 13.009 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.431 14.169 -4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.677 14.408 -4.759 1.00 0.00 H new ATOM 852 N SER A 55 8.309 19.803 -7.649 1.00 0.00 N ATOM 853 CA SER A 55 8.317 21.260 -7.437 1.00 0.00 C ATOM 854 C SER A 55 7.270 21.670 -6.384 1.00 0.00 C ATOM 855 O SER A 55 7.369 22.742 -5.781 1.00 0.00 O ATOM 856 CB SER A 55 8.061 21.973 -8.791 1.00 0.00 C ATOM 857 OG SER A 55 8.261 23.373 -8.699 1.00 0.00 O ATOM 0 H SER A 55 7.762 19.519 -8.462 1.00 0.00 H new ATOM 0 HA SER A 55 9.292 21.563 -7.055 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.726 21.561 -9.550 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.041 21.773 -9.119 1.00 0.00 H new ATOM 0 HG SER A 55 8.092 23.786 -9.572 1.00 0.00 H new ATOM 863 N ASP A 56 6.270 20.800 -6.175 1.00 0.00 N ATOM 864 CA ASP A 56 5.187 21.013 -5.201 1.00 0.00 C ATOM 865 C ASP A 56 5.382 20.072 -4.009 1.00 0.00 C ATOM 866 O ASP A 56 5.697 18.908 -4.194 1.00 0.00 O ATOM 867 CB ASP A 56 3.812 20.756 -5.871 1.00 0.00 C ATOM 868 CG ASP A 56 2.617 20.950 -4.919 1.00 0.00 C ATOM 869 OD1 ASP A 56 2.551 22.006 -4.253 1.00 0.00 O ATOM 870 OD2 ASP A 56 1.750 20.058 -4.829 1.00 0.00 O ATOM 0 H ASP A 56 6.189 19.919 -6.683 1.00 0.00 H new ATOM 0 HA ASP A 56 5.213 22.044 -4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.701 21.428 -6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.792 19.739 -6.263 1.00 0.00 H new ATOM 875 N ARG A 57 5.188 20.590 -2.799 1.00 0.00 N ATOM 876 CA ARG A 57 5.362 19.823 -1.540 1.00 0.00 C ATOM 877 C ARG A 57 4.155 18.905 -1.252 1.00 0.00 C ATOM 878 O ARG A 57 4.274 17.917 -0.512 1.00 0.00 O ATOM 879 CB ARG A 57 5.594 20.809 -0.371 1.00 0.00 C ATOM 880 CG ARG A 57 4.474 21.869 -0.184 1.00 0.00 C ATOM 881 CD ARG A 57 4.854 22.960 0.828 1.00 0.00 C ATOM 882 NE ARG A 57 6.107 23.644 0.439 1.00 0.00 N ATOM 883 CZ ARG A 57 6.205 24.898 -0.022 1.00 0.00 C ATOM 884 NH1 ARG A 57 5.147 25.684 -0.098 1.00 0.00 N ATOM 885 NH2 ARG A 57 7.382 25.361 -0.395 1.00 0.00 N ATOM 0 H ARG A 57 4.904 21.558 -2.649 1.00 0.00 H new ATOM 0 HA ARG A 57 6.231 19.174 -1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.694 20.239 0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.541 21.325 -0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.253 22.332 -1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.562 21.373 0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.047 23.689 0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.972 22.516 1.817 1.00 0.00 H new ATOM 0 HE ARG A 57 6.973 23.113 0.530 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.233 25.340 0.197 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.243 26.636 -0.452 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.208 24.766 -0.331 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.467 26.314 -0.747 1.00 0.00 H new ATOM 899 N ASP A 58 2.998 19.246 -1.841 1.00 0.00 N ATOM 900 CA ASP A 58 1.729 18.518 -1.627 1.00 0.00 C ATOM 901 C ASP A 58 1.516 17.431 -2.706 1.00 0.00 C ATOM 902 O ASP A 58 0.536 16.677 -2.640 1.00 0.00 O ATOM 903 CB ASP A 58 0.557 19.546 -1.593 1.00 0.00 C ATOM 904 CG ASP A 58 -0.772 18.965 -1.063 1.00 0.00 C ATOM 905 OD1 ASP A 58 -0.760 18.338 0.021 1.00 0.00 O ATOM 906 OD2 ASP A 58 -1.825 19.122 -1.723 1.00 0.00 O ATOM 0 H ASP A 58 2.912 20.035 -2.481 1.00 0.00 H new ATOM 0 HA ASP A 58 1.765 17.995 -0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.847 20.391 -0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.397 19.933 -2.599 1.00 0.00 H new ATOM 911 N ILE A 59 2.454 17.342 -3.683 1.00 0.00 N ATOM 912 CA ILE A 59 2.357 16.384 -4.808 1.00 0.00 C ATOM 913 C ILE A 59 2.387 14.930 -4.286 1.00 0.00 C ATOM 914 O ILE A 59 3.297 14.537 -3.541 1.00 0.00 O ATOM 915 CB ILE A 59 3.483 16.630 -5.901 1.00 0.00 C ATOM 916 CG1 ILE A 59 3.138 15.889 -7.232 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.907 16.228 -5.407 1.00 0.00 C ATOM 918 CD1 ILE A 59 4.091 16.162 -8.384 1.00 0.00 C ATOM 0 H ILE A 59 3.289 17.927 -3.712 1.00 0.00 H new ATOM 0 HA ILE A 59 1.400 16.552 -5.302 1.00 0.00 H new ATOM 0 HB ILE A 59 3.503 17.704 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.122 14.816 -7.040 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.131 16.173 -7.538 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.633 16.419 -6.197 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.166 16.816 -4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.918 15.168 -5.152 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.769 15.604 -9.263 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.091 17.228 -8.611 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.098 15.850 -8.105 1.00 0.00 H new ATOM 930 N THR A 60 1.355 14.155 -4.629 1.00 0.00 N ATOM 931 CA THR A 60 1.186 12.785 -4.129 1.00 0.00 C ATOM 932 C THR A 60 1.540 11.758 -5.207 1.00 0.00 C ATOM 933 O THR A 60 1.829 12.118 -6.352 1.00 0.00 O ATOM 934 CB THR A 60 -0.275 12.548 -3.636 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.210 12.646 -4.725 1.00 0.00 O ATOM 936 CG2 THR A 60 -0.667 13.540 -2.525 1.00 0.00 C ATOM 0 H THR A 60 0.613 14.457 -5.260 1.00 0.00 H new ATOM 0 HA THR A 60 1.867 12.658 -3.288 1.00 0.00 H new ATOM 0 HB THR A 60 -0.312 11.539 -3.225 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.859 13.260 -5.403 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.691 13.344 -2.207 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.006 13.420 -1.676 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.594 14.559 -2.905 1.00 0.00 H new ATOM 944 N LEU A 61 1.470 10.471 -4.827 1.00 0.00 N ATOM 945 CA LEU A 61 1.745 9.335 -5.736 1.00 0.00 C ATOM 946 C LEU A 61 0.588 9.110 -6.730 1.00 0.00 C ATOM 947 O LEU A 61 0.678 8.248 -7.605 1.00 0.00 O ATOM 948 CB LEU A 61 2.015 8.058 -4.913 1.00 0.00 C ATOM 949 CG LEU A 61 3.044 8.204 -3.749 1.00 0.00 C ATOM 950 CD1 LEU A 61 3.314 6.846 -3.070 1.00 0.00 C ATOM 951 CD2 LEU A 61 4.354 8.878 -4.214 1.00 0.00 C ATOM 0 H LEU A 61 1.221 10.184 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 61 2.632 9.575 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.070 7.711 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.369 7.280 -5.590 1.00 0.00 H new ATOM 0 HG LEU A 61 2.598 8.864 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.035 6.980 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.383 6.451 -2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.715 6.146 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.041 8.959 -3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.813 8.278 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.134 9.874 -4.600 1.00 0.00 H new ATOM 963 N GLY A 62 -0.509 9.875 -6.548 1.00 0.00 N ATOM 964 CA GLY A 62 -1.608 9.945 -7.521 1.00 0.00 C ATOM 965 C GLY A 62 -1.243 10.803 -8.733 1.00 0.00 C ATOM 966 O GLY A 62 -1.767 10.594 -9.833 1.00 0.00 O ATOM 0 H GLY A 62 -0.653 10.458 -5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.864 8.939 -7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.494 10.357 -7.038 1.00 0.00 H new ATOM 970 N ASP A 63 -0.333 11.775 -8.519 1.00 0.00 N ATOM 971 CA ASP A 63 0.202 12.644 -9.591 1.00 0.00 C ATOM 972 C ASP A 63 1.465 12.005 -10.177 1.00 0.00 C ATOM 973 O ASP A 63 1.678 11.997 -11.389 1.00 0.00 O ATOM 974 CB ASP A 63 0.545 14.050 -9.029 1.00 0.00 C ATOM 975 CG ASP A 63 -0.608 14.690 -8.247 1.00 0.00 C ATOM 976 OD1 ASP A 63 -1.461 15.368 -8.858 1.00 0.00 O ATOM 977 OD2 ASP A 63 -0.679 14.502 -7.013 1.00 0.00 O ATOM 0 H ASP A 63 0.053 11.981 -7.598 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.554 12.753 -10.369 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.416 13.971 -8.378 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.823 14.705 -9.854 1.00 0.00 H new ATOM 982 N LEU A 64 2.294 11.478 -9.270 1.00 0.00 N ATOM 983 CA LEU A 64 3.589 10.859 -9.588 1.00 0.00 C ATOM 984 C LEU A 64 3.402 9.410 -10.132 1.00 0.00 C ATOM 985 O LEU A 64 2.413 8.752 -9.794 1.00 0.00 O ATOM 986 CB LEU A 64 4.470 10.874 -8.308 1.00 0.00 C ATOM 987 CG LEU A 64 4.935 12.277 -7.797 1.00 0.00 C ATOM 988 CD1 LEU A 64 5.555 12.186 -6.379 1.00 0.00 C ATOM 989 CD2 LEU A 64 5.925 12.934 -8.803 1.00 0.00 C ATOM 0 H LEU A 64 2.081 11.469 -8.273 1.00 0.00 H new ATOM 0 HA LEU A 64 4.084 11.427 -10.376 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.916 10.386 -7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.357 10.269 -8.497 1.00 0.00 H new ATOM 0 HG LEU A 64 4.053 12.914 -7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.868 13.178 -6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.814 11.793 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.420 11.523 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.234 13.909 -8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.801 12.296 -8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.434 13.058 -9.768 1.00 0.00 H new ATOM 1001 N PRO A 65 4.350 8.891 -10.995 1.00 0.00 N ATOM 1002 CA PRO A 65 4.281 7.523 -11.592 1.00 0.00 C ATOM 1003 C PRO A 65 4.715 6.387 -10.629 1.00 0.00 C ATOM 1004 O PRO A 65 5.139 5.316 -11.085 1.00 0.00 O ATOM 1005 CB PRO A 65 5.234 7.618 -12.835 1.00 0.00 C ATOM 1006 CG PRO A 65 5.647 9.064 -12.913 1.00 0.00 C ATOM 1007 CD PRO A 65 5.537 9.601 -11.507 1.00 0.00 C ATOM 0 HA PRO A 65 3.255 7.255 -11.843 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.101 6.968 -12.716 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.724 7.306 -13.746 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.666 9.160 -13.289 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.002 9.618 -13.595 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.427 9.384 -10.917 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.402 10.683 -11.494 1.00 0.00 H new ATOM 1015 N ILE A 66 4.592 6.617 -9.308 1.00 0.00 N ATOM 1016 CA ILE A 66 4.803 5.569 -8.298 1.00 0.00 C ATOM 1017 C ILE A 66 3.549 4.686 -8.294 1.00 0.00 C ATOM 1018 O ILE A 66 2.429 5.201 -8.238 1.00 0.00 O ATOM 1019 CB ILE A 66 5.067 6.126 -6.831 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.438 6.883 -6.698 1.00 0.00 C ATOM 1021 CG2 ILE A 66 5.004 4.989 -5.776 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.539 8.196 -7.434 1.00 0.00 C ATOM 0 H ILE A 66 4.346 7.526 -8.916 1.00 0.00 H new ATOM 0 HA ILE A 66 5.704 5.017 -8.567 1.00 0.00 H new ATOM 0 HB ILE A 66 4.270 6.845 -6.642 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.629 7.066 -5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.230 6.226 -7.056 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.189 5.402 -4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.017 4.526 -5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.762 4.239 -6.003 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.526 8.629 -7.272 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.387 8.028 -8.500 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.777 8.881 -7.062 1.00 0.00 H new ATOM 1034 N GLN A 67 3.752 3.369 -8.406 1.00 0.00 N ATOM 1035 CA GLN A 67 2.668 2.371 -8.423 1.00 0.00 C ATOM 1036 C GLN A 67 2.834 1.429 -7.206 1.00 0.00 C ATOM 1037 O GLN A 67 3.785 1.585 -6.434 1.00 0.00 O ATOM 1038 CB GLN A 67 2.695 1.606 -9.779 1.00 0.00 C ATOM 1039 CG GLN A 67 2.851 2.526 -11.020 1.00 0.00 C ATOM 1040 CD GLN A 67 2.809 1.797 -12.374 1.00 0.00 C ATOM 1041 OE1 GLN A 67 2.348 2.351 -13.374 1.00 0.00 O ATOM 1042 NE2 GLN A 67 3.327 0.573 -12.434 1.00 0.00 N ATOM 0 H GLN A 67 4.682 2.958 -8.488 1.00 0.00 H new ATOM 0 HA GLN A 67 1.693 2.850 -8.340 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.517 0.890 -9.764 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.774 1.032 -9.879 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.059 3.274 -11.002 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.797 3.061 -10.941 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.702 0.136 -11.592 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.349 0.071 -13.322 1.00 0.00 H new ATOM 1051 N SER A 68 1.934 0.434 -7.063 1.00 0.00 N ATOM 1052 CA SER A 68 1.809 -0.404 -5.836 1.00 0.00 C ATOM 1053 C SER A 68 3.012 -1.362 -5.573 1.00 0.00 C ATOM 1054 O SER A 68 3.021 -2.080 -4.566 1.00 0.00 O ATOM 1055 CB SER A 68 0.485 -1.198 -5.909 1.00 0.00 C ATOM 1056 OG SER A 68 0.379 -1.910 -7.130 1.00 0.00 O ATOM 0 H SER A 68 1.268 0.183 -7.794 1.00 0.00 H new ATOM 0 HA SER A 68 1.811 0.280 -4.988 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.430 -1.895 -5.073 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.358 -0.514 -5.810 1.00 0.00 H new ATOM 0 HG SER A 68 -0.467 -2.404 -7.148 1.00 0.00 H new ATOM 1062 N GLY A 69 4.002 -1.358 -6.473 1.00 0.00 N ATOM 1063 CA GLY A 69 5.233 -2.136 -6.315 1.00 0.00 C ATOM 1064 C GLY A 69 6.210 -1.822 -7.431 1.00 0.00 C ATOM 1065 O GLY A 69 6.881 -2.717 -7.948 1.00 0.00 O ATOM 0 H GLY A 69 3.970 -0.812 -7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.690 -1.912 -5.351 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.000 -3.201 -6.318 1.00 0.00 H new ATOM 1069 N ASP A 70 6.288 -0.529 -7.786 1.00 0.00 N ATOM 1070 CA ASP A 70 7.037 -0.050 -8.968 1.00 0.00 C ATOM 1071 C ASP A 70 8.525 0.170 -8.644 1.00 0.00 C ATOM 1072 O ASP A 70 8.912 0.246 -7.471 1.00 0.00 O ATOM 1073 CB ASP A 70 6.379 1.257 -9.487 1.00 0.00 C ATOM 1074 CG ASP A 70 6.871 1.680 -10.881 1.00 0.00 C ATOM 1075 OD1 ASP A 70 6.419 1.078 -11.875 1.00 0.00 O ATOM 1076 OD2 ASP A 70 7.742 2.570 -10.988 1.00 0.00 O ATOM 0 H ASP A 70 5.833 0.219 -7.262 1.00 0.00 H new ATOM 0 HA ASP A 70 6.995 -0.812 -9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.298 1.123 -9.517 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.581 2.062 -8.780 1.00 0.00 H new ATOM 1081 N MET A 71 9.350 0.270 -9.705 1.00 0.00 N ATOM 1082 CA MET A 71 10.794 0.499 -9.603 1.00 0.00 C ATOM 1083 C MET A 71 11.098 1.987 -9.858 1.00 0.00 C ATOM 1084 O MET A 71 11.064 2.453 -11.011 1.00 0.00 O ATOM 1085 CB MET A 71 11.560 -0.380 -10.627 1.00 0.00 C ATOM 1086 CG MET A 71 13.101 -0.243 -10.612 1.00 0.00 C ATOM 1087 SD MET A 71 13.909 -1.052 -9.204 1.00 0.00 S ATOM 1088 CE MET A 71 13.860 0.204 -7.928 1.00 0.00 C ATOM 0 H MET A 71 9.022 0.192 -10.668 1.00 0.00 H new ATOM 0 HA MET A 71 11.124 0.226 -8.600 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.305 -1.424 -10.444 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.202 -0.135 -11.627 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.500 -0.663 -11.535 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.360 0.816 -10.605 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.667 0.031 -7.216 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.981 1.188 -8.381 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.902 0.159 -7.410 1.00 0.00 H new ATOM 1098 N LEU A 72 11.362 2.720 -8.773 1.00 0.00 N ATOM 1099 CA LEU A 72 11.746 4.143 -8.820 1.00 0.00 C ATOM 1100 C LEU A 72 13.220 4.265 -8.435 1.00 0.00 C ATOM 1101 O LEU A 72 13.651 3.681 -7.450 1.00 0.00 O ATOM 1102 CB LEU A 72 10.865 5.025 -7.873 1.00 0.00 C ATOM 1103 CG LEU A 72 9.350 5.199 -8.248 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.159 5.711 -9.689 1.00 0.00 C ATOM 1105 CD2 LEU A 72 8.535 3.921 -8.005 1.00 0.00 C ATOM 0 H LEU A 72 11.316 2.344 -7.826 1.00 0.00 H new ATOM 0 HA LEU A 72 11.585 4.510 -9.834 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.917 4.599 -6.871 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.315 6.016 -7.821 1.00 0.00 H new ATOM 0 HG LEU A 72 8.962 5.964 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.095 5.815 -9.900 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.647 6.680 -9.799 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.600 5.001 -10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.495 4.095 -8.280 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.940 3.111 -8.611 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.591 3.649 -6.951 1.00 0.00 H new ATOM 1117 N ILE A 73 13.994 5.001 -9.237 1.00 0.00 N ATOM 1118 CA ILE A 73 15.418 5.241 -8.988 1.00 0.00 C ATOM 1119 C ILE A 73 15.565 6.554 -8.198 1.00 0.00 C ATOM 1120 O ILE A 73 15.186 7.624 -8.674 1.00 0.00 O ATOM 1121 CB ILE A 73 16.265 5.290 -10.332 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.371 3.874 -11.020 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.684 5.874 -10.087 1.00 0.00 C ATOM 1124 CD1 ILE A 73 15.067 3.263 -11.505 1.00 0.00 C ATOM 0 H ILE A 73 13.647 5.451 -10.084 1.00 0.00 H new ATOM 0 HA ILE A 73 15.815 4.408 -8.407 1.00 0.00 H new ATOM 0 HB ILE A 73 15.729 5.952 -11.012 1.00 0.00 H new ATOM 0 HG12 ILE A 73 17.048 3.956 -11.871 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.831 3.183 -10.313 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.237 5.893 -11.026 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.598 6.888 -9.696 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.214 5.251 -9.367 1.00 0.00 H new ATOM 0 HD11 ILE A 73 15.267 2.292 -11.959 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.389 3.136 -10.661 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.609 3.921 -12.243 1.00 0.00 H new ATOM 1136 N VAL A 74 16.038 6.422 -6.958 1.00 0.00 N ATOM 1137 CA VAL A 74 16.506 7.535 -6.134 1.00 0.00 C ATOM 1138 C VAL A 74 17.988 7.804 -6.447 1.00 0.00 C ATOM 1139 O VAL A 74 18.846 6.941 -6.216 1.00 0.00 O ATOM 1140 CB VAL A 74 16.320 7.212 -4.600 1.00 0.00 C ATOM 1141 CG1 VAL A 74 17.001 8.266 -3.686 1.00 0.00 C ATOM 1142 CG2 VAL A 74 14.816 7.073 -4.258 1.00 0.00 C ATOM 0 H VAL A 74 16.108 5.519 -6.489 1.00 0.00 H new ATOM 0 HA VAL A 74 15.917 8.423 -6.364 1.00 0.00 H new ATOM 0 HB VAL A 74 16.817 6.261 -4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.844 7.998 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 74 18.070 8.294 -3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.568 9.248 -3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.703 6.850 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.302 8.006 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.382 6.265 -4.847 1.00 0.00 H new ATOM 1152 N GLU A 75 18.275 8.984 -6.994 1.00 0.00 N ATOM 1153 CA GLU A 75 19.658 9.426 -7.212 1.00 0.00 C ATOM 1154 C GLU A 75 20.179 10.132 -5.951 1.00 0.00 C ATOM 1155 O GLU A 75 19.392 10.580 -5.103 1.00 0.00 O ATOM 1156 CB GLU A 75 19.739 10.370 -8.433 1.00 0.00 C ATOM 1157 CG GLU A 75 19.050 11.743 -8.254 1.00 0.00 C ATOM 1158 CD GLU A 75 19.161 12.604 -9.514 1.00 0.00 C ATOM 1159 OE1 GLU A 75 20.261 13.118 -9.794 1.00 0.00 O ATOM 1160 OE2 GLU A 75 18.165 12.757 -10.245 1.00 0.00 O ATOM 0 H GLU A 75 17.569 9.655 -7.296 1.00 0.00 H new ATOM 0 HA GLU A 75 20.281 8.555 -7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.789 10.537 -8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.292 9.867 -9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.999 11.593 -8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.502 12.269 -7.413 1.00 0.00 H new ATOM 1167 N GLU A 76 21.504 10.209 -5.829 1.00 0.00 N ATOM 1168 CA GLU A 76 22.166 10.985 -4.777 1.00 0.00 C ATOM 1169 C GLU A 76 22.990 12.097 -5.431 1.00 0.00 C ATOM 1170 O GLU A 76 23.975 11.823 -6.133 1.00 0.00 O ATOM 1171 CB GLU A 76 23.063 10.081 -3.897 1.00 0.00 C ATOM 1172 CG GLU A 76 23.790 10.827 -2.753 1.00 0.00 C ATOM 1173 CD GLU A 76 24.840 9.975 -2.014 1.00 0.00 C ATOM 1174 OE1 GLU A 76 25.805 9.522 -2.665 1.00 0.00 O ATOM 1175 OE2 GLU A 76 24.739 9.800 -0.783 1.00 0.00 O ATOM 0 H GLU A 76 22.152 9.734 -6.458 1.00 0.00 H new ATOM 0 HA GLU A 76 21.412 11.424 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.450 9.289 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.807 9.599 -4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.278 11.711 -3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.050 11.177 -2.033 1.00 0.00 H new ATOM 1182 N ASP A 77 22.570 13.346 -5.191 1.00 0.00 N ATOM 1183 CA ASP A 77 23.228 14.551 -5.716 1.00 0.00 C ATOM 1184 C ASP A 77 24.596 14.737 -5.031 1.00 0.00 C ATOM 1185 O ASP A 77 25.498 15.343 -5.609 1.00 0.00 O ATOM 1186 CB ASP A 77 22.308 15.778 -5.493 1.00 0.00 C ATOM 1187 CG ASP A 77 22.778 17.064 -6.194 1.00 0.00 C ATOM 1188 OD1 ASP A 77 23.590 17.821 -5.608 1.00 0.00 O ATOM 1189 OD2 ASP A 77 22.327 17.331 -7.328 1.00 0.00 O ATOM 0 H ASP A 77 21.751 13.551 -4.618 1.00 0.00 H new ATOM 0 HA ASP A 77 23.402 14.446 -6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.306 15.533 -5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 77 22.232 15.970 -4.423 1.00 0.00 H new ATOM 1194 N GLN A 78 24.714 14.179 -3.793 1.00 0.00 N ATOM 1195 CA GLN A 78 25.960 14.109 -2.978 1.00 0.00 C ATOM 1196 C GLN A 78 26.737 15.444 -2.938 1.00 0.00 C ATOM 1197 O GLN A 78 27.972 15.468 -2.965 1.00 0.00 O ATOM 1198 CB GLN A 78 26.863 12.899 -3.406 1.00 0.00 C ATOM 1199 CG GLN A 78 27.430 12.929 -4.840 1.00 0.00 C ATOM 1200 CD GLN A 78 28.262 11.698 -5.178 1.00 0.00 C ATOM 1201 OE1 GLN A 78 27.747 10.708 -5.688 1.00 0.00 O ATOM 1202 NE2 GLN A 78 29.551 11.738 -4.877 1.00 0.00 N ATOM 0 H GLN A 78 23.918 13.752 -3.320 1.00 0.00 H new ATOM 0 HA GLN A 78 25.646 13.928 -1.950 1.00 0.00 H new ATOM 0 HB2 GLN A 78 27.700 12.837 -2.711 1.00 0.00 H new ATOM 0 HB3 GLN A 78 26.283 11.984 -3.289 1.00 0.00 H new ATOM 0 HG2 GLN A 78 26.606 13.009 -5.549 1.00 0.00 H new ATOM 0 HG3 GLN A 78 28.044 13.821 -4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 78 29.950 12.576 -4.454 1.00 0.00 H new ATOM 0 HE22 GLN A 78 30.145 10.931 -5.069 1.00 0.00 H new ATOM 1211 N THR A 79 25.975 16.541 -2.822 1.00 0.00 N ATOM 1212 CA THR A 79 26.511 17.912 -2.774 1.00 0.00 C ATOM 1213 C THR A 79 27.526 18.088 -1.615 1.00 0.00 C ATOM 1214 O THR A 79 28.602 18.663 -1.816 1.00 0.00 O ATOM 1215 CB THR A 79 25.348 18.968 -2.666 1.00 0.00 C ATOM 1216 OG1 THR A 79 25.881 20.304 -2.634 1.00 0.00 O ATOM 1217 CG2 THR A 79 24.452 18.739 -1.428 1.00 0.00 C ATOM 0 H THR A 79 24.958 16.503 -2.758 1.00 0.00 H new ATOM 0 HA THR A 79 27.045 18.087 -3.708 1.00 0.00 H new ATOM 0 HB THR A 79 24.727 18.839 -3.552 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.145 20.948 -2.568 1.00 0.00 H new ATOM 0 HG21 THR A 79 23.667 19.495 -1.402 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.001 17.748 -1.484 1.00 0.00 H new ATOM 0 HG23 THR A 79 25.056 18.812 -0.523 1.00 0.00 H new ATOM 1225 N ARG A 80 27.192 17.527 -0.434 1.00 0.00 N ATOM 1226 CA ARG A 80 28.018 17.611 0.783 1.00 0.00 C ATOM 1227 C ARG A 80 27.401 16.739 1.901 1.00 0.00 C ATOM 1228 O ARG A 80 26.172 16.548 1.918 1.00 0.00 O ATOM 1229 CB ARG A 80 28.165 19.086 1.271 1.00 0.00 C ATOM 1230 CG ARG A 80 26.831 19.833 1.496 1.00 0.00 C ATOM 1231 CD ARG A 80 27.043 21.256 2.027 1.00 0.00 C ATOM 1232 NE ARG A 80 25.774 22.000 2.156 1.00 0.00 N ATOM 1233 CZ ARG A 80 25.585 23.072 2.941 1.00 0.00 C ATOM 1234 NH1 ARG A 80 26.558 23.517 3.726 1.00 0.00 N ATOM 1235 NH2 ARG A 80 24.420 23.699 2.938 1.00 0.00 N ATOM 0 H ARG A 80 26.331 16.997 -0.300 1.00 0.00 H new ATOM 0 HA ARG A 80 29.013 17.238 0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 80 28.729 19.090 2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 80 28.755 19.638 0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 80 26.279 19.876 0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 80 26.218 19.272 2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 80 27.535 21.209 2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 80 27.712 21.796 1.357 1.00 0.00 H new ATOM 0 HE ARG A 80 24.979 21.674 1.606 1.00 0.00 H new ATOM 0 HH11 ARG A 80 27.461 23.043 3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 80 26.403 24.333 4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 80 23.664 23.368 2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 80 24.278 24.514 3.535 1.00 0.00 H new ATOM 1249 N PRO A 81 28.243 16.171 2.837 1.00 0.00 N ATOM 1250 CA PRO A 81 27.748 15.476 4.048 1.00 0.00 C ATOM 1251 C PRO A 81 27.075 16.477 5.013 1.00 0.00 C ATOM 1252 O PRO A 81 27.728 17.419 5.488 1.00 0.00 O ATOM 1253 CB PRO A 81 29.032 14.839 4.672 1.00 0.00 C ATOM 1254 CG PRO A 81 30.075 14.919 3.597 1.00 0.00 C ATOM 1255 CD PRO A 81 29.729 16.143 2.782 1.00 0.00 C ATOM 0 HA PRO A 81 26.987 14.726 3.830 1.00 0.00 H new ATOM 0 HB2 PRO A 81 29.345 15.380 5.565 1.00 0.00 H new ATOM 0 HB3 PRO A 81 28.853 13.806 4.971 1.00 0.00 H new ATOM 0 HG2 PRO A 81 31.074 15.004 4.026 1.00 0.00 H new ATOM 0 HG3 PRO A 81 30.069 14.022 2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 81 30.166 17.047 3.206 1.00 0.00 H new ATOM 0 HD3 PRO A 81 30.094 16.063 1.758 1.00 0.00 H new ATOM 1263 N LYS A 82 25.764 16.290 5.262 1.00 0.00 N ATOM 1264 CA LYS A 82 24.975 17.201 6.109 1.00 0.00 C ATOM 1265 C LYS A 82 25.369 17.073 7.593 1.00 0.00 C ATOM 1266 O LYS A 82 25.260 15.992 8.186 1.00 0.00 O ATOM 1267 CB LYS A 82 23.452 16.947 5.935 1.00 0.00 C ATOM 1268 CG LYS A 82 22.907 17.231 4.514 1.00 0.00 C ATOM 1269 CD LYS A 82 21.366 17.108 4.434 1.00 0.00 C ATOM 1270 CE LYS A 82 20.643 18.097 5.371 1.00 0.00 C ATOM 1271 NZ LYS A 82 19.169 17.984 5.283 1.00 0.00 N ATOM 0 H LYS A 82 25.227 15.509 4.884 1.00 0.00 H new ATOM 0 HA LYS A 82 25.197 18.218 5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 82 23.239 15.909 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 82 22.910 17.568 6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 82 23.204 18.234 4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 82 23.361 16.535 3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 82 21.044 17.284 3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.073 16.090 4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.958 17.916 6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.942 19.115 5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.729 18.668 5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 18.863 18.183 4.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.878 17.021 5.547 1.00 0.00 H new ATOM 1285 N ALA A 83 25.822 18.195 8.172 1.00 0.00 N ATOM 1286 CA ALA A 83 26.160 18.303 9.606 1.00 0.00 C ATOM 1287 C ALA A 83 24.907 18.605 10.463 1.00 0.00 C ATOM 1288 O ALA A 83 24.999 18.700 11.692 1.00 0.00 O ATOM 1289 CB ALA A 83 27.229 19.395 9.795 1.00 0.00 C ATOM 0 H ALA A 83 25.967 19.063 7.656 1.00 0.00 H new ATOM 0 HA ALA A 83 26.556 17.346 9.945 1.00 0.00 H new ATOM 0 HB1 ALA A 83 27.481 19.478 10.852 1.00 0.00 H new ATOM 0 HB2 ALA A 83 28.122 19.132 9.228 1.00 0.00 H new ATOM 0 HB3 ALA A 83 26.841 20.349 9.439 1.00 0.00 H new ATOM 1295 N SER A 84 23.752 18.774 9.792 1.00 0.00 N ATOM 1296 CA SER A 84 22.464 19.103 10.426 1.00 0.00 C ATOM 1297 C SER A 84 21.804 17.845 11.055 1.00 0.00 C ATOM 1298 O SER A 84 22.060 16.726 10.586 1.00 0.00 O ATOM 1299 CB SER A 84 21.555 19.749 9.352 1.00 0.00 C ATOM 1300 OG SER A 84 22.186 20.888 8.777 1.00 0.00 O ATOM 0 H SER A 84 23.688 18.684 8.778 1.00 0.00 H new ATOM 0 HA SER A 84 22.621 19.805 11.245 1.00 0.00 H new ATOM 0 HB2 SER A 84 21.329 19.020 8.573 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.605 20.041 9.800 1.00 0.00 H new ATOM 0 HG SER A 84 21.597 21.281 8.100 1.00 0.00 H new ATOM 1306 N PRO A 85 20.960 18.010 12.140 1.00 0.00 N ATOM 1307 CA PRO A 85 20.295 16.872 12.841 1.00 0.00 C ATOM 1308 C PRO A 85 19.412 16.022 11.900 1.00 0.00 C ATOM 1309 O PRO A 85 18.610 16.565 11.127 1.00 0.00 O ATOM 1310 CB PRO A 85 19.444 17.563 13.945 1.00 0.00 C ATOM 1311 CG PRO A 85 20.106 18.893 14.149 1.00 0.00 C ATOM 1312 CD PRO A 85 20.613 19.304 12.786 1.00 0.00 C ATOM 0 HA PRO A 85 21.021 16.164 13.239 1.00 0.00 H new ATOM 0 HB2 PRO A 85 18.406 17.680 13.632 1.00 0.00 H new ATOM 0 HB3 PRO A 85 19.436 16.978 14.865 1.00 0.00 H new ATOM 0 HG2 PRO A 85 19.402 19.626 14.543 1.00 0.00 H new ATOM 0 HG3 PRO A 85 20.924 18.819 14.866 1.00 0.00 H new ATOM 0 HD2 PRO A 85 19.853 19.844 12.221 1.00 0.00 H new ATOM 0 HD3 PRO A 85 21.480 19.960 12.861 1.00 0.00 H new ATOM 1320 N SER A 86 19.576 14.694 11.981 1.00 0.00 N ATOM 1321 CA SER A 86 18.864 13.726 11.133 1.00 0.00 C ATOM 1322 C SER A 86 17.528 13.327 11.815 1.00 0.00 C ATOM 1323 O SER A 86 16.463 13.841 11.417 1.00 0.00 O ATOM 1324 CB SER A 86 19.780 12.497 10.873 1.00 0.00 C ATOM 1325 OG SER A 86 19.205 11.593 9.936 1.00 0.00 O ATOM 1326 OXT SER A 86 17.558 12.533 12.781 1.00 0.00 O ATOM 0 H SER A 86 20.214 14.256 12.645 1.00 0.00 H new ATOM 0 HA SER A 86 18.622 14.169 10.167 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.747 12.837 10.502 1.00 0.00 H new ATOM 0 HB3 SER A 86 19.964 11.977 11.813 1.00 0.00 H new ATOM 0 HG SER A 86 19.811 10.835 9.798 1.00 0.00 H new TER 1332 SER A 86