USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 382 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc=-0.00982 X(o=-0.0098,f=-0.4) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.56) USER MOD Single : B 33 ASN : amide:sc= -0.0946 X(o=-0.095,f=-0.29) USER MOD Single : B 34 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : B 35 HIS : no HE2:sc= 0.206 K(o=0.21,f=-1.8!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= -0.0056 X(o=-0.0056,f=0) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0.118 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.069 -0.411 0.008 1.00 25.00 N ATOM 2 CA GLY A 1 2.317 -0.790 -1.441 1.00 25.00 C ATOM 3 C GLY A 1 3.204 -2.032 -1.631 1.00 25.00 C ATOM 4 O GLY A 1 2.836 -3.036 -2.187 1.00 25.00 O ATOM 0 H1 GLY A 1 1.464 0.434 0.047 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.596 -1.198 0.497 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.976 -0.209 0.474 1.00 25.00 H new ATOM 0 HA2 GLY A 1 1.357 -0.966 -1.927 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.782 0.054 -1.950 1.00 25.00 H new ATOM 9 N ILE A 2 4.443 -1.897 -1.114 1.00 25.00 N ATOM 10 CA ILE A 2 5.478 -2.905 -1.345 1.00 25.00 C ATOM 11 C ILE A 2 5.065 -4.280 -0.869 1.00 25.00 C ATOM 12 O ILE A 2 5.347 -5.273 -1.562 1.00 25.00 O ATOM 13 CB ILE A 2 6.900 -2.464 -0.729 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.036 -3.328 -1.318 1.00 25.00 C ATOM 15 CG2 ILE A 2 6.936 -2.477 0.826 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.393 -3.186 -0.649 1.00 25.00 C ATOM 0 H ILE A 2 4.741 -1.107 -0.542 1.00 25.00 H new ATOM 0 HA ILE A 2 5.602 -2.973 -2.426 1.00 25.00 H new ATOM 0 HB ILE A 2 7.053 -1.425 -1.020 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.735 -4.374 -1.266 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.145 -3.080 -2.374 1.00 25.00 H new ATOM 0 HG21 ILE A 2 7.924 -2.169 1.170 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.186 -1.787 1.213 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.724 -3.484 1.186 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.113 -3.838 -1.144 1.00 25.00 H new ATOM 0 HD12 ILE A 2 9.729 -2.152 -0.723 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.312 -3.466 0.401 1.00 25.00 H new ATOM 28 N VAL A 3 4.378 -4.384 0.263 1.00 25.00 N ATOM 29 CA VAL A 3 4.067 -5.731 0.805 1.00 25.00 C ATOM 30 C VAL A 3 3.064 -6.464 -0.080 1.00 25.00 C ATOM 31 O VAL A 3 3.336 -7.559 -0.523 1.00 25.00 O ATOM 32 CB VAL A 3 3.556 -5.646 2.267 1.00 25.00 C ATOM 33 CG1 VAL A 3 3.204 -7.031 2.775 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.627 -4.992 3.151 1.00 25.00 C ATOM 0 H VAL A 3 4.032 -3.598 0.814 1.00 25.00 H new ATOM 0 HA VAL A 3 4.994 -6.305 0.808 1.00 25.00 H new ATOM 0 HB VAL A 3 2.656 -5.032 2.303 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.846 -6.962 3.802 1.00 25.00 H new ATOM 0 HG12 VAL A 3 2.424 -7.461 2.147 1.00 25.00 H new ATOM 0 HG13 VAL A 3 4.089 -7.667 2.741 1.00 25.00 H new ATOM 0 HG21 VAL A 3 4.265 -4.933 4.178 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.538 -5.589 3.121 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.839 -3.988 2.783 1.00 25.00 H new ATOM 44 N GLU A 4 1.915 -5.864 -0.389 1.00 25.00 N ATOM 45 CA GLU A 4 0.894 -6.495 -1.278 1.00 25.00 C ATOM 46 C GLU A 4 1.477 -6.723 -2.658 1.00 25.00 C ATOM 47 O GLU A 4 1.191 -7.714 -3.218 1.00 25.00 O ATOM 48 CB GLU A 4 -0.423 -5.649 -1.347 1.00 25.00 C ATOM 49 CG GLU A 4 -0.298 -4.251 -1.927 1.00 25.00 C ATOM 50 CD GLU A 4 -1.611 -3.502 -1.882 1.00 25.00 C ATOM 51 OE1 GLU A 4 -2.221 -3.295 -0.886 1.00 25.00 O ATOM 52 OE2 GLU A 4 -2.029 -3.071 -3.023 1.00 25.00 O ATOM 0 H GLU A 4 1.652 -4.941 -0.045 1.00 25.00 H new ATOM 0 HA GLU A 4 0.623 -7.460 -0.851 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.153 -6.201 -1.940 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.829 -5.566 -0.339 1.00 25.00 H new ATOM 0 HG2 GLU A 4 0.457 -3.694 -1.372 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.048 -4.316 -2.959 1.00 25.00 H new ATOM 60 N GLN A 5 2.411 -5.875 -3.143 1.00 25.00 N ATOM 61 CA GLN A 5 3.094 -6.167 -4.438 1.00 25.00 C ATOM 62 C GLN A 5 4.022 -7.376 -4.371 1.00 25.00 C ATOM 63 O GLN A 5 3.981 -8.245 -5.238 1.00 25.00 O ATOM 64 CB GLN A 5 3.894 -4.958 -4.985 1.00 25.00 C ATOM 65 CG GLN A 5 3.188 -4.087 -6.067 1.00 25.00 C ATOM 66 CD GLN A 5 2.359 -2.959 -5.495 1.00 25.00 C ATOM 67 OE1 GLN A 5 2.848 -1.900 -5.180 1.00 25.00 O ATOM 68 NE2 GLN A 5 1.069 -3.194 -5.354 1.00 25.00 N ATOM 0 H GLN A 5 2.706 -5.013 -2.684 1.00 25.00 H new ATOM 0 HA GLN A 5 2.276 -6.392 -5.123 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.154 -4.314 -4.145 1.00 25.00 H new ATOM 0 HB3 GLN A 5 4.829 -5.330 -5.404 1.00 25.00 H new ATOM 0 HG2 GLN A 5 3.943 -3.669 -6.733 1.00 25.00 H new ATOM 0 HG3 GLN A 5 2.546 -4.726 -6.673 1.00 25.00 H new ATOM 0 HE21 GLN A 5 0.682 -4.097 -5.628 1.00 25.00 H new ATOM 0 HE22 GLN A 5 0.458 -2.473 -4.971 1.00 25.00 H new ATOM 77 N CYS A 6 4.886 -7.443 -3.355 1.00 25.00 N ATOM 78 CA CYS A 6 5.835 -8.559 -3.289 1.00 25.00 C ATOM 79 C CYS A 6 5.155 -9.907 -2.942 1.00 25.00 C ATOM 80 O CYS A 6 5.526 -10.986 -3.437 1.00 25.00 O ATOM 81 CB CYS A 6 6.907 -8.235 -2.261 1.00 25.00 C ATOM 82 SG CYS A 6 8.577 -8.541 -2.873 1.00 25.00 S ATOM 0 H CYS A 6 4.950 -6.767 -2.594 1.00 25.00 H new ATOM 0 HA CYS A 6 6.276 -8.679 -4.279 1.00 25.00 H new ATOM 0 HB2 CYS A 6 6.818 -7.189 -1.968 1.00 25.00 H new ATOM 0 HB3 CYS A 6 6.738 -8.833 -1.365 1.00 25.00 H new ATOM 87 N CYS A 7 4.028 -9.830 -2.235 1.00 25.00 N ATOM 88 CA CYS A 7 3.243 -11.010 -1.866 1.00 25.00 C ATOM 89 C CYS A 7 2.599 -11.702 -3.060 1.00 25.00 C ATOM 90 O CYS A 7 2.480 -12.912 -3.057 1.00 25.00 O ATOM 91 CB CYS A 7 2.225 -10.588 -0.816 1.00 25.00 C ATOM 92 SG CYS A 7 1.421 -11.978 0.028 1.00 25.00 S ATOM 0 H CYS A 7 3.633 -8.950 -1.902 1.00 25.00 H new ATOM 0 HA CYS A 7 3.910 -11.765 -1.450 1.00 25.00 H new ATOM 0 HB2 CYS A 7 2.721 -9.963 -0.074 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.461 -9.973 -1.291 1.00 25.00 H new ATOM 97 N THR A 8 2.268 -10.945 -4.090 1.00 25.00 N ATOM 98 CA THR A 8 1.726 -11.505 -5.344 1.00 25.00 C ATOM 99 C THR A 8 2.755 -11.735 -6.477 1.00 25.00 C ATOM 100 O THR A 8 2.583 -12.612 -7.302 1.00 25.00 O ATOM 101 CB THR A 8 0.619 -10.597 -5.917 1.00 25.00 C ATOM 102 OG1 THR A 8 -0.046 -11.239 -7.016 1.00 25.00 O ATOM 103 CG2 THR A 8 1.176 -9.231 -6.438 1.00 25.00 C ATOM 0 H THR A 8 2.361 -9.929 -4.095 1.00 25.00 H new ATOM 0 HA THR A 8 1.351 -12.483 -5.041 1.00 25.00 H new ATOM 0 HB THR A 8 -0.072 -10.413 -5.095 1.00 25.00 H new ATOM 0 HG1 THR A 8 -0.746 -10.648 -7.365 1.00 25.00 H new ATOM 0 HG21 THR A 8 0.356 -8.630 -6.831 1.00 25.00 H new ATOM 0 HG22 THR A 8 1.657 -8.698 -5.618 1.00 25.00 H new ATOM 0 HG23 THR A 8 1.904 -9.413 -7.229 1.00 25.00 H new ATOM 111 N SER A 9 3.885 -11.056 -6.429 1.00 25.00 N ATOM 112 CA SER A 9 4.964 -11.290 -7.385 1.00 25.00 C ATOM 113 C SER A 9 6.302 -11.086 -6.702 1.00 25.00 C ATOM 114 O SER A 9 6.469 -10.121 -6.012 1.00 25.00 O ATOM 115 CB SER A 9 4.846 -10.307 -8.569 1.00 25.00 C ATOM 116 OG SER A 9 3.643 -10.595 -9.287 1.00 25.00 O ATOM 0 H SER A 9 4.085 -10.334 -5.737 1.00 25.00 H new ATOM 0 HA SER A 9 4.890 -12.312 -7.756 1.00 25.00 H new ATOM 0 HB2 SER A 9 4.833 -9.279 -8.207 1.00 25.00 H new ATOM 0 HB3 SER A 9 5.710 -10.402 -9.226 1.00 25.00 H new ATOM 0 HG SER A 9 3.556 -9.975 -10.041 1.00 25.00 H new ATOM 122 N ILE A 10 7.246 -11.988 -6.844 1.00 25.00 N ATOM 123 CA ILE A 10 8.539 -11.784 -6.191 1.00 25.00 C ATOM 124 C ILE A 10 9.222 -10.571 -6.748 1.00 25.00 C ATOM 125 O ILE A 10 9.518 -10.524 -7.945 1.00 25.00 O ATOM 126 CB ILE A 10 9.452 -13.029 -6.410 1.00 25.00 C ATOM 127 CG1 ILE A 10 8.803 -14.286 -5.787 1.00 25.00 C ATOM 128 CG2 ILE A 10 10.852 -12.793 -5.799 1.00 25.00 C ATOM 129 CD1 ILE A 10 9.642 -15.510 -5.956 1.00 25.00 C ATOM 0 H ILE A 10 7.159 -12.848 -7.386 1.00 25.00 H new ATOM 0 HA ILE A 10 8.364 -11.641 -5.125 1.00 25.00 H new ATOM 0 HB ILE A 10 9.566 -13.187 -7.483 1.00 25.00 H new ATOM 0 HG12 ILE A 10 8.630 -14.112 -4.725 1.00 25.00 H new ATOM 0 HG13 ILE A 10 7.828 -14.452 -6.246 1.00 25.00 H new ATOM 0 HG21 ILE A 10 11.473 -13.673 -5.963 1.00 25.00 H new ATOM 0 HG22 ILE A 10 11.315 -11.928 -6.274 1.00 25.00 H new ATOM 0 HG23 ILE A 10 10.756 -12.611 -4.729 1.00 25.00 H new ATOM 0 HD11 ILE A 10 9.138 -16.362 -5.500 1.00 25.00 H new ATOM 0 HD12 ILE A 10 9.793 -15.704 -7.018 1.00 25.00 H new ATOM 0 HD13 ILE A 10 10.608 -15.359 -5.474 1.00 25.00 H new ATOM 141 N CYS A 11 9.506 -9.607 -5.890 1.00 25.00 N ATOM 142 CA CYS A 11 10.217 -8.394 -6.325 1.00 25.00 C ATOM 143 C CYS A 11 11.685 -8.668 -6.793 1.00 25.00 C ATOM 144 O CYS A 11 12.376 -9.475 -6.197 1.00 25.00 O ATOM 145 CB CYS A 11 10.280 -7.404 -5.172 1.00 25.00 C ATOM 146 SG CYS A 11 8.710 -7.097 -4.312 1.00 25.00 S ATOM 0 H CYS A 11 9.264 -9.629 -4.899 1.00 25.00 H new ATOM 0 HA CYS A 11 9.658 -8.002 -7.175 1.00 25.00 H new ATOM 0 HB2 CYS A 11 11.007 -7.767 -4.445 1.00 25.00 H new ATOM 0 HB3 CYS A 11 10.657 -6.455 -5.553 1.00 25.00 H new ATOM 151 N SER A 12 12.150 -7.929 -7.806 1.00 25.00 N ATOM 152 CA SER A 12 13.535 -8.037 -8.260 1.00 25.00 C ATOM 153 C SER A 12 14.424 -7.438 -7.164 1.00 25.00 C ATOM 154 O SER A 12 14.098 -6.365 -6.613 1.00 25.00 O ATOM 155 CB SER A 12 13.736 -7.270 -9.560 1.00 25.00 C ATOM 156 OG SER A 12 12.684 -7.488 -10.486 1.00 25.00 O ATOM 0 H SER A 12 11.588 -7.253 -8.323 1.00 25.00 H new ATOM 0 HA SER A 12 13.789 -9.081 -8.445 1.00 25.00 H new ATOM 0 HB2 SER A 12 13.809 -6.205 -9.342 1.00 25.00 H new ATOM 0 HB3 SER A 12 14.682 -7.569 -10.012 1.00 25.00 H new ATOM 0 HG SER A 12 12.856 -6.975 -11.303 1.00 25.00 H new ATOM 162 N LEU A 13 15.527 -8.074 -6.835 1.00 25.00 N ATOM 163 CA LEU A 13 16.446 -7.550 -5.804 1.00 25.00 C ATOM 164 C LEU A 13 17.016 -6.225 -6.267 1.00 25.00 C ATOM 165 O LEU A 13 17.283 -5.344 -5.436 1.00 25.00 O ATOM 166 CB LEU A 13 17.542 -8.589 -5.498 1.00 25.00 C ATOM 167 CG LEU A 13 19.051 -8.378 -5.795 1.00 25.00 C ATOM 168 CD1 LEU A 13 19.747 -7.298 -4.948 1.00 25.00 C ATOM 169 CD2 LEU A 13 19.722 -9.700 -5.527 1.00 25.00 C ATOM 0 H LEU A 13 15.824 -8.954 -7.256 1.00 25.00 H new ATOM 0 HA LEU A 13 15.908 -7.371 -4.873 1.00 25.00 H new ATOM 0 HB2 LEU A 13 17.469 -8.801 -4.431 1.00 25.00 H new ATOM 0 HB3 LEU A 13 17.253 -9.499 -6.025 1.00 25.00 H new ATOM 0 HG LEU A 13 19.134 -8.029 -6.824 1.00 25.00 H new ATOM 0 HD11 LEU A 13 20.797 -7.231 -5.235 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.263 -6.336 -5.116 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.675 -7.561 -3.893 1.00 25.00 H new ATOM 0 HD21 LEU A 13 20.791 -9.611 -5.720 1.00 25.00 H new ATOM 0 HD22 LEU A 13 19.564 -9.984 -4.487 1.00 25.00 H new ATOM 0 HD23 LEU A 13 19.297 -10.463 -6.180 1.00 25.00 H new ATOM 181 N TYR A 14 17.153 -6.061 -7.563 1.00 25.00 N ATOM 182 CA TYR A 14 17.652 -4.801 -8.112 1.00 25.00 C ATOM 183 C TYR A 14 16.757 -3.659 -7.772 1.00 25.00 C ATOM 184 O TYR A 14 17.254 -2.583 -7.483 1.00 25.00 O ATOM 185 CB TYR A 14 17.761 -4.937 -9.647 1.00 25.00 C ATOM 186 CG TYR A 14 18.364 -3.713 -10.356 1.00 25.00 C ATOM 187 CD1 TYR A 14 19.771 -3.618 -10.562 1.00 25.00 C ATOM 188 CD2 TYR A 14 17.572 -2.669 -10.855 1.00 25.00 C ATOM 189 CE1 TYR A 14 20.354 -2.544 -11.292 1.00 25.00 C ATOM 190 CE2 TYR A 14 18.172 -1.571 -11.600 1.00 25.00 C ATOM 191 CZ TYR A 14 19.563 -1.541 -11.805 1.00 25.00 C ATOM 192 OH TYR A 14 20.194 -0.566 -12.515 1.00 25.00 O ATOM 0 H TYR A 14 16.931 -6.772 -8.260 1.00 25.00 H new ATOM 0 HA TYR A 14 18.629 -4.595 -7.675 1.00 25.00 H new ATOM 0 HB2 TYR A 14 18.369 -5.811 -9.879 1.00 25.00 H new ATOM 0 HB3 TYR A 14 16.767 -5.123 -10.054 1.00 25.00 H new ATOM 0 HD1 TYR A 14 20.414 -4.383 -10.152 1.00 25.00 H new ATOM 0 HD2 TYR A 14 16.506 -2.679 -10.685 1.00 25.00 H new ATOM 0 HE1 TYR A 14 21.423 -2.516 -11.444 1.00 25.00 H new ATOM 0 HE2 TYR A 14 17.550 -0.781 -11.994 1.00 25.00 H new ATOM 0 HH TYR A 14 19.535 0.088 -12.829 1.00 25.00 H new ATOM 202 N GLN A 15 15.450 -3.871 -7.770 1.00 25.00 N ATOM 203 CA GLN A 15 14.565 -2.795 -7.428 1.00 25.00 C ATOM 204 C GLN A 15 14.399 -2.683 -5.905 1.00 25.00 C ATOM 205 O GLN A 15 14.344 -1.581 -5.378 1.00 25.00 O ATOM 206 CB GLN A 15 13.170 -3.005 -8.066 1.00 25.00 C ATOM 207 CG GLN A 15 12.320 -1.731 -8.084 1.00 25.00 C ATOM 208 CD GLN A 15 10.935 -2.012 -8.631 1.00 25.00 C ATOM 209 OE1 GLN A 15 10.106 -2.637 -7.980 1.00 25.00 O ATOM 210 NE2 GLN A 15 10.683 -1.591 -9.867 1.00 25.00 N ATOM 0 H GLN A 15 14.998 -4.757 -7.996 1.00 25.00 H new ATOM 0 HA GLN A 15 15.008 -1.877 -7.813 1.00 25.00 H new ATOM 0 HB2 GLN A 15 13.295 -3.366 -9.087 1.00 25.00 H new ATOM 0 HB3 GLN A 15 12.639 -3.782 -7.516 1.00 25.00 H new ATOM 0 HG2 GLN A 15 12.242 -1.327 -7.075 1.00 25.00 H new ATOM 0 HG3 GLN A 15 12.809 -0.971 -8.694 1.00 25.00 H new ATOM 0 HE21 GLN A 15 11.393 -1.073 -10.384 1.00 25.00 H new ATOM 0 HE22 GLN A 15 9.779 -1.786 -10.298 1.00 25.00 H new ATOM 219 N LEU A 16 14.361 -3.815 -5.233 1.00 25.00 N ATOM 220 CA LEU A 16 14.226 -3.870 -3.767 1.00 25.00 C ATOM 221 C LEU A 16 15.333 -3.128 -3.035 1.00 25.00 C ATOM 222 O LEU A 16 15.071 -2.423 -2.064 1.00 25.00 O ATOM 223 CB LEU A 16 14.188 -5.336 -3.352 1.00 25.00 C ATOM 224 CG LEU A 16 13.657 -5.628 -1.966 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.137 -5.706 -1.882 1.00 25.00 C ATOM 226 CD2 LEU A 16 14.300 -6.938 -1.470 1.00 25.00 C ATOM 0 H LEU A 16 14.422 -4.732 -5.676 1.00 25.00 H new ATOM 0 HA LEU A 16 13.303 -3.363 -3.487 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.578 -5.880 -4.073 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.199 -5.738 -3.422 1.00 25.00 H new ATOM 0 HG LEU A 16 13.929 -4.788 -1.326 1.00 25.00 H new ATOM 0 HD11 LEU A 16 11.840 -5.918 -0.855 1.00 25.00 H new ATOM 0 HD12 LEU A 16 11.706 -4.755 -2.195 1.00 25.00 H new ATOM 0 HD13 LEU A 16 11.777 -6.500 -2.536 1.00 25.00 H new ATOM 0 HD21 LEU A 16 13.931 -7.169 -0.471 1.00 25.00 H new ATOM 0 HD22 LEU A 16 14.041 -7.750 -2.149 1.00 25.00 H new ATOM 0 HD23 LEU A 16 15.383 -6.823 -1.439 1.00 25.00 H new ATOM 238 N GLU A 17 16.543 -3.188 -3.610 1.00 25.00 N ATOM 239 CA GLU A 17 17.682 -2.452 -3.063 1.00 25.00 C ATOM 240 C GLU A 17 17.463 -0.920 -2.994 1.00 25.00 C ATOM 241 O GLU A 17 18.021 -0.239 -2.162 1.00 25.00 O ATOM 242 CB GLU A 17 18.926 -2.733 -3.931 1.00 25.00 C ATOM 243 CG GLU A 17 19.736 -3.891 -3.422 1.00 25.00 C ATOM 244 CD GLU A 17 20.162 -3.736 -1.983 1.00 25.00 C ATOM 245 OE1 GLU A 17 19.866 -4.485 -1.121 1.00 25.00 O ATOM 246 OE2 GLU A 17 20.890 -2.656 -1.781 1.00 25.00 O ATOM 0 H GLU A 17 16.753 -3.734 -4.445 1.00 25.00 H new ATOM 0 HA GLU A 17 17.813 -2.800 -2.039 1.00 25.00 H new ATOM 0 HB2 GLU A 17 18.612 -2.936 -4.955 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.552 -1.842 -3.961 1.00 25.00 H new ATOM 0 HG2 GLU A 17 19.153 -4.806 -3.524 1.00 25.00 H new ATOM 0 HG3 GLU A 17 20.623 -4.007 -4.045 1.00 25.00 H new ATOM 254 N ASN A 18 16.623 -0.410 -3.916 1.00 25.00 N ATOM 255 CA ASN A 18 16.366 1.027 -3.999 1.00 25.00 C ATOM 256 C ASN A 18 15.441 1.504 -2.903 1.00 25.00 C ATOM 257 O ASN A 18 15.276 2.680 -2.693 1.00 25.00 O ATOM 258 CB ASN A 18 15.734 1.336 -5.348 1.00 25.00 C ATOM 259 CG ASN A 18 15.828 2.793 -5.675 1.00 25.00 C ATOM 260 OD1 ASN A 18 16.852 3.409 -5.560 1.00 25.00 O ATOM 261 ND2 ASN A 18 14.758 3.332 -6.191 1.00 25.00 N ATOM 0 H ASN A 18 16.120 -0.971 -4.603 1.00 25.00 H new ATOM 0 HA ASN A 18 17.318 1.546 -3.882 1.00 25.00 H new ATOM 0 HB2 ASN A 18 16.230 0.755 -6.125 1.00 25.00 H new ATOM 0 HB3 ASN A 18 14.688 1.030 -5.340 1.00 25.00 H new ATOM 0 HD21 ASN A 18 14.778 4.301 -6.509 1.00 25.00 H new ATOM 0 HD22 ASN A 18 13.902 2.785 -6.276 1.00 25.00 H new ATOM 268 N TYR A 19 14.827 0.571 -2.194 1.00 25.00 N ATOM 269 CA TYR A 19 13.994 0.918 -1.029 1.00 25.00 C ATOM 270 C TYR A 19 14.951 1.076 0.146 1.00 25.00 C ATOM 271 O TYR A 19 14.598 1.692 1.168 1.00 25.00 O ATOM 272 CB TYR A 19 13.013 -0.236 -0.718 1.00 25.00 C ATOM 273 CG TYR A 19 11.916 -0.418 -1.774 1.00 25.00 C ATOM 274 CD1 TYR A 19 12.196 -1.052 -3.001 1.00 25.00 C ATOM 275 CD2 TYR A 19 10.588 -0.001 -1.530 1.00 25.00 C ATOM 276 CE1 TYR A 19 11.156 -1.275 -3.971 1.00 25.00 C ATOM 277 CE2 TYR A 19 9.559 -0.187 -2.498 1.00 25.00 C ATOM 278 CZ TYR A 19 9.835 -0.860 -3.666 1.00 25.00 C ATOM 279 OH TYR A 19 8.788 -0.996 -4.551 1.00 25.00 O ATOM 0 H TYR A 19 14.882 -0.428 -2.394 1.00 25.00 H new ATOM 0 HA TYR A 19 13.417 1.824 -1.216 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.576 -1.165 -0.629 1.00 25.00 H new ATOM 0 HB3 TYR A 19 12.546 -0.052 0.250 1.00 25.00 H new ATOM 0 HD1 TYR A 19 13.204 -1.375 -3.216 1.00 25.00 H new ATOM 0 HD2 TYR A 19 10.347 0.470 -0.588 1.00 25.00 H new ATOM 0 HE1 TYR A 19 11.378 -1.750 -4.915 1.00 25.00 H new ATOM 0 HE2 TYR A 19 8.567 0.199 -2.316 1.00 25.00 H new ATOM 0 HH TYR A 19 7.967 -0.649 -4.143 1.00 25.00 H new ATOM 289 N CYS A 20 16.149 0.521 0.037 1.00 25.00 N ATOM 290 CA CYS A 20 17.141 0.618 1.112 1.00 25.00 C ATOM 291 C CYS A 20 17.899 1.956 1.035 1.00 25.00 C ATOM 292 O CYS A 20 18.414 2.334 -0.035 1.00 25.00 O ATOM 293 CB CYS A 20 18.121 -0.542 1.016 1.00 25.00 C ATOM 294 SG CYS A 20 19.011 -0.767 2.603 1.00 25.00 S ATOM 0 H CYS A 20 16.463 -0.001 -0.781 1.00 25.00 H new ATOM 0 HA CYS A 20 16.621 0.572 2.069 1.00 25.00 H new ATOM 0 HB2 CYS A 20 17.586 -1.457 0.760 1.00 25.00 H new ATOM 0 HB3 CYS A 20 18.836 -0.356 0.215 1.00 25.00 H new ATOM 299 N ASN A 21 17.891 2.742 2.094 1.00 25.00 N ATOM 300 CA ASN A 21 18.452 4.110 2.071 1.00 25.00 C ATOM 301 C ASN A 21 19.981 4.104 2.133 1.00 25.00 C ATOM 302 O ASN A 21 20.596 4.624 3.017 1.00 25.00 O ATOM 303 CB ASN A 21 17.851 4.982 3.204 1.00 25.00 C ATOM 304 CG ASN A 21 18.307 6.426 3.089 1.00 25.00 C ATOM 305 OD1 ASN A 21 18.481 6.992 2.051 1.00 25.00 O ATOM 306 ND2 ASN A 21 18.427 7.116 4.217 1.00 25.00 N ATOM 307 OXT ASN A 21 20.562 3.420 1.155 1.00 25.00 O ATOM 0 H ASN A 21 17.502 2.468 2.996 1.00 25.00 H new ATOM 0 HA ASN A 21 18.170 4.555 1.117 1.00 25.00 H new ATOM 0 HB2 ASN A 21 16.763 4.937 3.162 1.00 25.00 H new ATOM 0 HB3 ASN A 21 18.149 4.580 4.172 1.00 25.00 H new ATOM 0 HD21 ASN A 21 18.663 8.108 4.185 1.00 25.00 H new ATOM 0 HD22 ASN A 21 18.283 6.654 5.115 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 16.285 -13.198 -9.978 1.00 25.00 N ATOM 317 CA PHE B 31 16.413 -13.442 -8.499 1.00 25.00 C ATOM 318 C PHE B 31 15.160 -13.860 -7.668 1.00 25.00 C ATOM 319 O PHE B 31 14.108 -13.291 -7.809 1.00 25.00 O ATOM 320 CB PHE B 31 17.010 -12.197 -7.851 1.00 25.00 C ATOM 321 CG PHE B 31 17.518 -12.446 -6.439 1.00 25.00 C ATOM 322 CD1 PHE B 31 18.758 -13.089 -6.259 1.00 25.00 C ATOM 323 CD2 PHE B 31 16.746 -12.111 -5.326 1.00 25.00 C ATOM 324 CE1 PHE B 31 19.204 -13.322 -4.963 1.00 25.00 C ATOM 325 CE2 PHE B 31 17.174 -12.368 -4.038 1.00 25.00 C ATOM 326 CZ PHE B 31 18.437 -12.963 -3.851 1.00 25.00 C ATOM 0 HA PHE B 31 17.037 -14.335 -8.467 1.00 25.00 H new ATOM 0 HB2 PHE B 31 17.832 -11.832 -8.467 1.00 25.00 H new ATOM 0 HB3 PHE B 31 16.256 -11.410 -7.826 1.00 25.00 H new ATOM 0 HD1 PHE B 31 19.350 -13.394 -7.109 1.00 25.00 H new ATOM 0 HD2 PHE B 31 15.787 -11.637 -5.476 1.00 25.00 H new ATOM 0 HE1 PHE B 31 20.165 -13.791 -4.812 1.00 25.00 H new ATOM 0 HE2 PHE B 31 16.552 -12.118 -3.191 1.00 25.00 H new ATOM 0 HZ PHE B 31 18.811 -13.141 -2.853 1.00 25.00 H new ATOM 337 N VAL B 32 15.313 -14.898 -6.779 1.00 25.00 N ATOM 338 CA VAL B 32 14.216 -15.358 -5.903 1.00 25.00 C ATOM 339 C VAL B 32 14.513 -14.873 -4.487 1.00 25.00 C ATOM 340 O VAL B 32 15.537 -15.158 -3.918 1.00 25.00 O ATOM 341 CB VAL B 32 13.949 -16.928 -5.994 1.00 25.00 C ATOM 342 CG1 VAL B 32 15.279 -17.726 -5.993 1.00 25.00 C ATOM 343 CG2 VAL B 32 13.037 -17.441 -4.853 1.00 25.00 C ATOM 0 H VAL B 32 16.183 -15.417 -6.663 1.00 25.00 H new ATOM 0 HA VAL B 32 13.275 -14.924 -6.243 1.00 25.00 H new ATOM 0 HB VAL B 32 13.431 -17.093 -6.939 1.00 25.00 H new ATOM 0 HG11 VAL B 32 15.063 -18.793 -6.056 1.00 25.00 H new ATOM 0 HG12 VAL B 32 15.883 -17.427 -6.849 1.00 25.00 H new ATOM 0 HG13 VAL B 32 15.826 -17.520 -5.073 1.00 25.00 H new ATOM 0 HG21 VAL B 32 12.887 -18.515 -4.962 1.00 25.00 H new ATOM 0 HG22 VAL B 32 13.507 -17.236 -3.891 1.00 25.00 H new ATOM 0 HG23 VAL B 32 12.074 -16.934 -4.901 1.00 25.00 H new ATOM 353 N ASN B 33 13.608 -14.083 -3.981 1.00 25.00 N ATOM 354 CA ASN B 33 13.750 -13.476 -2.657 1.00 25.00 C ATOM 355 C ASN B 33 12.577 -13.957 -1.772 1.00 25.00 C ATOM 356 O ASN B 33 12.253 -13.339 -0.766 1.00 25.00 O ATOM 357 CB ASN B 33 13.730 -11.945 -2.820 1.00 25.00 C ATOM 358 CG ASN B 33 14.188 -11.224 -1.583 1.00 25.00 C ATOM 359 OD1 ASN B 33 15.248 -11.478 -1.056 1.00 25.00 O ATOM 360 ND2 ASN B 33 13.384 -10.297 -1.122 1.00 25.00 N ATOM 0 H ASN B 33 12.745 -13.832 -4.463 1.00 25.00 H new ATOM 0 HA ASN B 33 14.688 -13.766 -2.184 1.00 25.00 H new ATOM 0 HB2 ASN B 33 14.370 -11.664 -3.657 1.00 25.00 H new ATOM 0 HB3 ASN B 33 12.719 -11.623 -3.070 1.00 25.00 H new ATOM 0 HD21 ASN B 33 13.644 -9.762 -0.293 1.00 25.00 H new ATOM 0 HD22 ASN B 33 12.498 -10.110 -1.592 1.00 25.00 H new ATOM 367 N GLN B 34 11.859 -14.959 -2.312 1.00 25.00 N ATOM 368 CA GLN B 34 10.557 -15.411 -1.813 1.00 25.00 C ATOM 369 C GLN B 34 9.564 -14.230 -1.921 1.00 25.00 C ATOM 370 O GLN B 34 9.918 -13.177 -2.503 1.00 25.00 O ATOM 371 CB GLN B 34 10.668 -15.923 -0.368 1.00 25.00 C ATOM 372 CG GLN B 34 11.787 -17.000 -0.098 1.00 25.00 C ATOM 373 CD GLN B 34 11.737 -17.502 1.371 1.00 25.00 C ATOM 374 OE1 GLN B 34 10.856 -17.163 2.122 1.00 25.00 O ATOM 375 NE2 GLN B 34 12.696 -18.282 1.746 1.00 25.00 N ATOM 0 H GLN B 34 12.179 -15.485 -3.125 1.00 25.00 H new ATOM 0 HA GLN B 34 10.197 -16.247 -2.413 1.00 25.00 H new ATOM 0 HB2 GLN B 34 10.848 -15.069 0.285 1.00 25.00 H new ATOM 0 HB3 GLN B 34 9.706 -16.348 -0.080 1.00 25.00 H new ATOM 0 HG2 GLN B 34 11.657 -17.842 -0.778 1.00 25.00 H new ATOM 0 HG3 GLN B 34 12.767 -16.571 -0.306 1.00 25.00 H new ATOM 0 HE21 GLN B 34 13.425 -18.549 1.084 1.00 25.00 H new ATOM 0 HE22 GLN B 34 12.724 -18.631 2.704 1.00 25.00 H new ATOM 384 N HIS B 35 8.325 -14.415 -1.509 1.00 25.00 N ATOM 385 CA HIS B 35 7.349 -13.336 -1.632 1.00 25.00 C ATOM 386 C HIS B 35 7.283 -12.459 -0.365 1.00 25.00 C ATOM 387 O HIS B 35 7.450 -11.259 -0.418 1.00 25.00 O ATOM 388 CB HIS B 35 5.957 -13.920 -1.862 1.00 25.00 C ATOM 389 CG HIS B 35 5.733 -14.538 -3.222 1.00 25.00 C ATOM 390 ND1 HIS B 35 5.464 -13.758 -4.358 1.00 25.00 N ATOM 391 CD2 HIS B 35 5.689 -15.827 -3.670 1.00 25.00 C ATOM 392 CE1 HIS B 35 5.280 -14.575 -5.400 1.00 25.00 C ATOM 393 NE2 HIS B 35 5.394 -15.818 -4.990 1.00 25.00 N ATOM 0 H HIS B 35 7.971 -15.277 -1.095 1.00 25.00 H new ATOM 0 HA HIS B 35 7.668 -12.720 -2.473 1.00 25.00 H new ATOM 0 HB2 HIS B 35 5.769 -14.678 -1.101 1.00 25.00 H new ATOM 0 HB3 HIS B 35 5.221 -13.130 -1.714 1.00 25.00 H new ATOM 0 HD1 HIS B 35 5.417 -12.739 -4.384 1.00 25.00 H new ATOM 0 HD2 HIS B 35 5.861 -16.708 -3.070 1.00 25.00 H new ATOM 0 HE1 HIS B 35 5.072 -14.264 -6.413 1.00 25.00 H new ATOM 402 N LEU B 36 7.016 -13.113 0.776 1.00 25.00 N ATOM 403 CA LEU B 36 6.763 -12.451 2.113 1.00 25.00 C ATOM 404 C LEU B 36 5.459 -11.661 2.085 1.00 25.00 C ATOM 405 O LEU B 36 5.023 -11.247 1.064 1.00 25.00 O ATOM 406 CB LEU B 36 7.935 -11.558 2.617 1.00 25.00 C ATOM 407 CG LEU B 36 9.348 -12.188 2.757 1.00 25.00 C ATOM 408 CD1 LEU B 36 9.354 -13.686 3.172 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.144 -11.972 1.452 1.00 25.00 C ATOM 0 H LEU B 36 6.964 -14.131 0.821 1.00 25.00 H new ATOM 0 HA LEU B 36 6.682 -13.265 2.833 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.018 -10.708 1.939 1.00 25.00 H new ATOM 0 HB3 LEU B 36 7.652 -11.161 3.592 1.00 25.00 H new ATOM 0 HG LEU B 36 9.831 -11.670 3.585 1.00 25.00 H new ATOM 0 HD11 LEU B 36 10.383 -14.039 3.245 1.00 25.00 H new ATOM 0 HD12 LEU B 36 8.863 -13.798 4.139 1.00 25.00 H new ATOM 0 HD13 LEU B 36 8.821 -14.273 2.424 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.135 -12.415 1.553 1.00 25.00 H new ATOM 0 HD22 LEU B 36 9.618 -12.445 0.622 1.00 25.00 H new ATOM 0 HD23 LEU B 36 10.242 -10.904 1.258 1.00 25.00 H new ATOM 421 N CYS B 37 4.789 -11.560 3.237 1.00 25.00 N ATOM 422 CA CYS B 37 3.490 -10.897 3.284 1.00 25.00 C ATOM 423 C CYS B 37 3.306 -10.409 4.717 1.00 25.00 C ATOM 424 O CYS B 37 2.248 -10.538 5.296 1.00 25.00 O ATOM 425 CB CYS B 37 2.395 -11.904 2.895 1.00 25.00 C ATOM 426 SG CYS B 37 1.062 -11.189 1.903 1.00 25.00 S ATOM 0 H CYS B 37 5.119 -11.922 4.131 1.00 25.00 H new ATOM 0 HA CYS B 37 3.429 -10.059 2.589 1.00 25.00 H new ATOM 0 HB2 CYS B 37 2.850 -12.723 2.338 1.00 25.00 H new ATOM 0 HB3 CYS B 37 1.970 -12.332 3.803 1.00 25.00 H new ATOM 431 N GLY B 38 4.339 -9.848 5.303 1.00 25.00 N ATOM 432 CA GLY B 38 4.267 -9.424 6.708 1.00 25.00 C ATOM 433 C GLY B 38 5.512 -8.620 6.995 1.00 25.00 C ATOM 434 O GLY B 38 6.235 -8.312 6.057 1.00 25.00 O ATOM 0 H GLY B 38 5.234 -9.671 4.847 1.00 25.00 H new ATOM 0 HA2 GLY B 38 3.373 -8.825 6.884 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.207 -10.289 7.368 1.00 25.00 H new ATOM 438 N SER B 39 5.848 -8.453 8.251 1.00 25.00 N ATOM 439 CA SER B 39 7.165 -7.862 8.648 1.00 25.00 C ATOM 440 C SER B 39 8.387 -8.620 8.067 1.00 25.00 C ATOM 441 O SER B 39 9.463 -8.050 7.935 1.00 25.00 O ATOM 442 CB SER B 39 7.306 -7.810 10.140 1.00 25.00 C ATOM 443 OG SER B 39 6.221 -7.118 10.721 1.00 25.00 O ATOM 0 H SER B 39 5.250 -8.708 9.037 1.00 25.00 H new ATOM 0 HA SER B 39 7.162 -6.856 8.227 1.00 25.00 H new ATOM 0 HB2 SER B 39 7.354 -8.822 10.541 1.00 25.00 H new ATOM 0 HB3 SER B 39 8.242 -7.317 10.405 1.00 25.00 H new ATOM 0 HG SER B 39 6.330 -7.096 11.695 1.00 25.00 H new ATOM 449 N HIS B 40 8.174 -9.879 7.648 1.00 25.00 N ATOM 450 CA HIS B 40 9.196 -10.702 7.011 1.00 25.00 C ATOM 451 C HIS B 40 9.816 -9.966 5.746 1.00 25.00 C ATOM 452 O HIS B 40 11.002 -10.227 5.403 1.00 25.00 O ATOM 453 CB HIS B 40 8.618 -12.065 6.610 1.00 25.00 C ATOM 454 CG HIS B 40 8.455 -13.054 7.735 1.00 25.00 C ATOM 455 ND1 HIS B 40 7.996 -14.376 7.546 1.00 25.00 N ATOM 456 CD2 HIS B 40 8.678 -12.971 9.084 1.00 25.00 C ATOM 457 CE1 HIS B 40 7.988 -15.009 8.706 1.00 25.00 C ATOM 458 NE2 HIS B 40 8.373 -14.183 9.642 1.00 25.00 N ATOM 0 H HIS B 40 7.275 -10.352 7.747 1.00 25.00 H new ATOM 0 HA HIS B 40 9.996 -10.863 7.733 1.00 25.00 H new ATOM 0 HB2 HIS B 40 7.645 -11.906 6.145 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.265 -12.506 5.852 1.00 25.00 H new ATOM 0 HD2 HIS B 40 9.033 -12.100 9.615 1.00 25.00 H new ATOM 0 HE1 HIS B 40 7.709 -16.041 8.856 1.00 25.00 H new ATOM 0 HE2 HIS B 40 8.436 -14.407 10.635 1.00 25.00 H new ATOM 467 N LEU B 41 9.056 -9.084 5.088 1.00 25.00 N ATOM 468 CA LEU B 41 9.586 -8.393 3.915 1.00 25.00 C ATOM 469 C LEU B 41 10.685 -7.403 4.261 1.00 25.00 C ATOM 470 O LEU B 41 11.758 -7.459 3.676 1.00 25.00 O ATOM 471 CB LEU B 41 8.485 -7.657 3.121 1.00 25.00 C ATOM 472 CG LEU B 41 8.930 -7.066 1.765 1.00 25.00 C ATOM 473 CD1 LEU B 41 9.498 -8.208 0.809 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.775 -6.451 1.023 1.00 25.00 C ATOM 0 H LEU B 41 8.099 -8.838 5.340 1.00 25.00 H new ATOM 0 HA LEU B 41 10.010 -9.182 3.293 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.663 -8.351 2.944 1.00 25.00 H new ATOM 0 HB3 LEU B 41 8.093 -6.849 3.739 1.00 25.00 H new ATOM 0 HG LEU B 41 9.688 -6.318 1.998 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.805 -7.769 -0.140 1.00 25.00 H new ATOM 0 HD12 LEU B 41 10.356 -8.685 1.282 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.722 -8.952 0.630 1.00 25.00 H new ATOM 0 HD21 LEU B 41 8.126 -6.046 0.074 1.00 25.00 H new ATOM 0 HD22 LEU B 41 7.017 -7.212 0.834 1.00 25.00 H new ATOM 0 HD23 LEU B 41 7.343 -5.649 1.622 1.00 25.00 H new ATOM 486 N VAL B 42 10.475 -6.533 5.210 1.00 25.00 N ATOM 487 CA VAL B 42 11.556 -5.616 5.586 1.00 25.00 C ATOM 488 C VAL B 42 12.667 -6.431 6.233 1.00 25.00 C ATOM 489 O VAL B 42 13.828 -6.097 6.132 1.00 25.00 O ATOM 490 CB VAL B 42 11.047 -4.472 6.513 1.00 25.00 C ATOM 491 CG1 VAL B 42 10.005 -3.645 5.730 1.00 25.00 C ATOM 492 CG2 VAL B 42 10.474 -4.998 7.815 1.00 25.00 C ATOM 0 H VAL B 42 9.604 -6.427 5.731 1.00 25.00 H new ATOM 0 HA VAL B 42 11.945 -5.120 4.697 1.00 25.00 H new ATOM 0 HB VAL B 42 11.889 -3.840 6.796 1.00 25.00 H new ATOM 0 HG11 VAL B 42 9.634 -2.837 6.360 1.00 25.00 H new ATOM 0 HG12 VAL B 42 10.470 -3.225 4.838 1.00 25.00 H new ATOM 0 HG13 VAL B 42 9.175 -4.288 5.438 1.00 25.00 H new ATOM 0 HG21 VAL B 42 10.133 -4.162 8.426 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.634 -5.659 7.602 1.00 25.00 H new ATOM 0 HG23 VAL B 42 11.243 -5.551 8.354 1.00 25.00 H new ATOM 502 N GLU B 43 12.342 -7.535 6.914 1.00 25.00 N ATOM 503 CA GLU B 43 13.430 -8.362 7.529 1.00 25.00 C ATOM 504 C GLU B 43 14.355 -8.907 6.402 1.00 25.00 C ATOM 505 O GLU B 43 15.602 -8.878 6.489 1.00 25.00 O ATOM 506 CB GLU B 43 12.757 -9.510 8.310 1.00 25.00 C ATOM 507 CG GLU B 43 13.746 -10.309 9.221 1.00 25.00 C ATOM 508 CD GLU B 43 13.030 -11.351 10.034 1.00 25.00 C ATOM 509 OE1 GLU B 43 11.826 -11.539 9.969 1.00 25.00 O ATOM 510 OE2 GLU B 43 13.822 -12.033 10.814 1.00 25.00 O ATOM 0 H GLU B 43 11.393 -7.878 7.059 1.00 25.00 H new ATOM 0 HA GLU B 43 14.046 -7.774 8.210 1.00 25.00 H new ATOM 0 HB2 GLU B 43 11.958 -9.099 8.927 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.292 -10.197 7.602 1.00 25.00 H new ATOM 0 HG2 GLU B 43 14.505 -10.788 8.603 1.00 25.00 H new ATOM 0 HG3 GLU B 43 14.265 -9.620 9.887 1.00 25.00 H new ATOM 518 N ALA B 44 13.743 -9.324 5.307 1.00 25.00 N ATOM 519 CA ALA B 44 14.472 -9.791 4.133 1.00 25.00 C ATOM 520 C ALA B 44 15.239 -8.642 3.469 1.00 25.00 C ATOM 521 O ALA B 44 16.379 -8.760 3.019 1.00 25.00 O ATOM 522 CB ALA B 44 13.474 -10.375 3.127 1.00 25.00 C ATOM 0 H ALA B 44 12.729 -9.350 5.203 1.00 25.00 H new ATOM 0 HA ALA B 44 15.189 -10.550 4.447 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.010 -10.727 2.245 1.00 25.00 H new ATOM 0 HB2 ALA B 44 12.942 -11.209 3.585 1.00 25.00 H new ATOM 0 HB3 ALA B 44 12.760 -9.605 2.834 1.00 25.00 H new ATOM 528 N LEU B 45 14.558 -7.491 3.413 1.00 25.00 N ATOM 529 CA LEU B 45 15.146 -6.292 2.852 1.00 25.00 C ATOM 530 C LEU B 45 16.379 -5.845 3.597 1.00 25.00 C ATOM 531 O LEU B 45 17.398 -5.479 2.976 1.00 25.00 O ATOM 532 CB LEU B 45 14.124 -5.160 2.871 1.00 25.00 C ATOM 533 CG LEU B 45 14.159 -4.314 1.591 1.00 25.00 C ATOM 534 CD1 LEU B 45 12.837 -3.557 1.483 1.00 25.00 C ATOM 535 CD2 LEU B 45 15.309 -3.335 1.552 1.00 25.00 C ATOM 0 H LEU B 45 13.603 -7.376 3.751 1.00 25.00 H new ATOM 0 HA LEU B 45 15.441 -6.533 1.831 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.126 -5.578 2.999 1.00 25.00 H new ATOM 0 HB3 LEU B 45 14.313 -4.519 3.732 1.00 25.00 H new ATOM 0 HG LEU B 45 14.304 -4.991 0.749 1.00 25.00 H new ATOM 0 HD11 LEU B 45 12.839 -2.948 0.579 1.00 25.00 H new ATOM 0 HD12 LEU B 45 12.013 -4.269 1.439 1.00 25.00 H new ATOM 0 HD13 LEU B 45 12.714 -2.913 2.354 1.00 25.00 H new ATOM 0 HD21 LEU B 45 15.274 -2.770 0.621 1.00 25.00 H new ATOM 0 HD22 LEU B 45 15.232 -2.649 2.396 1.00 25.00 H new ATOM 0 HD23 LEU B 45 16.252 -3.879 1.611 1.00 25.00 H new ATOM 547 N TYR B 46 16.357 -6.001 4.915 1.00 25.00 N ATOM 548 CA TYR B 46 17.537 -5.733 5.722 1.00 25.00 C ATOM 549 C TYR B 46 18.659 -6.716 5.443 1.00 25.00 C ATOM 550 O TYR B 46 19.797 -6.340 5.302 1.00 25.00 O ATOM 551 CB TYR B 46 17.193 -5.849 7.230 1.00 25.00 C ATOM 552 CG TYR B 46 18.403 -5.704 8.126 1.00 25.00 C ATOM 553 CD1 TYR B 46 19.008 -4.438 8.310 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.947 -6.823 8.808 1.00 25.00 C ATOM 555 CE1 TYR B 46 20.141 -4.325 9.168 1.00 25.00 C ATOM 556 CE2 TYR B 46 20.077 -6.715 9.654 1.00 25.00 C ATOM 557 CZ TYR B 46 20.685 -5.439 9.843 1.00 25.00 C ATOM 558 OH TYR B 46 21.805 -5.359 10.633 1.00 25.00 O ATOM 0 H TYR B 46 15.541 -6.309 5.443 1.00 25.00 H new ATOM 0 HA TYR B 46 17.863 -4.726 5.463 1.00 25.00 H new ATOM 0 HB2 TYR B 46 16.462 -5.084 7.490 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.724 -6.815 7.416 1.00 25.00 H new ATOM 0 HD1 TYR B 46 18.616 -3.567 7.806 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.483 -7.790 8.677 1.00 25.00 H new ATOM 0 HE1 TYR B 46 20.598 -3.356 9.306 1.00 25.00 H new ATOM 0 HE2 TYR B 46 20.474 -7.588 10.150 1.00 25.00 H new ATOM 0 HH TYR B 46 22.007 -6.243 11.004 1.00 25.00 H new ATOM 568 N LEU B 47 18.319 -8.009 5.409 1.00 25.00 N ATOM 569 CA LEU B 47 19.323 -9.049 5.255 1.00 25.00 C ATOM 570 C LEU B 47 20.038 -8.958 3.905 1.00 25.00 C ATOM 571 O LEU B 47 21.240 -9.213 3.845 1.00 25.00 O ATOM 572 CB LEU B 47 18.715 -10.446 5.357 1.00 25.00 C ATOM 573 CG LEU B 47 18.293 -10.849 6.768 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.291 -11.973 6.703 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.476 -11.303 7.641 1.00 25.00 C ATOM 0 H LEU B 47 17.361 -8.351 5.486 1.00 25.00 H new ATOM 0 HA LEU B 47 20.034 -8.889 6.066 1.00 25.00 H new ATOM 0 HB2 LEU B 47 17.846 -10.499 4.702 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.439 -11.172 4.986 1.00 25.00 H new ATOM 0 HG LEU B 47 17.858 -9.960 7.225 1.00 25.00 H new ATOM 0 HD11 LEU B 47 16.995 -12.255 7.713 1.00 25.00 H new ATOM 0 HD12 LEU B 47 16.413 -11.646 6.145 1.00 25.00 H new ATOM 0 HD13 LEU B 47 17.739 -12.832 6.203 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.113 -11.577 8.632 1.00 25.00 H new ATOM 0 HD22 LEU B 47 19.958 -12.165 7.180 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.196 -10.489 7.730 1.00 25.00 H new ATOM 587 N VAL B 48 19.341 -8.530 2.852 1.00 25.00 N ATOM 588 CA VAL B 48 20.009 -8.403 1.515 1.00 25.00 C ATOM 589 C VAL B 48 20.757 -7.126 1.414 1.00 25.00 C ATOM 590 O VAL B 48 21.834 -7.078 0.829 1.00 25.00 O ATOM 591 CB VAL B 48 18.986 -8.550 0.332 1.00 25.00 C ATOM 592 CG1 VAL B 48 17.924 -7.444 0.354 1.00 25.00 C ATOM 593 CG2 VAL B 48 19.698 -8.525 -1.002 1.00 25.00 C ATOM 0 H VAL B 48 18.355 -8.270 2.872 1.00 25.00 H new ATOM 0 HA VAL B 48 20.721 -9.224 1.431 1.00 25.00 H new ATOM 0 HB VAL B 48 18.489 -9.511 0.465 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.237 -7.583 -0.481 1.00 25.00 H new ATOM 0 HG12 VAL B 48 17.370 -7.490 1.292 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.409 -6.472 0.267 1.00 25.00 H new ATOM 0 HG21 VAL B 48 18.969 -8.628 -1.806 1.00 25.00 H new ATOM 0 HG22 VAL B 48 20.229 -7.580 -1.113 1.00 25.00 H new ATOM 0 HG23 VAL B 48 20.410 -9.349 -1.050 1.00 25.00 H new ATOM 603 N CYS B 49 20.262 -6.082 2.093 1.00 25.00 N ATOM 604 CA CYS B 49 20.951 -4.784 2.040 1.00 25.00 C ATOM 605 C CYS B 49 22.215 -4.793 2.929 1.00 25.00 C ATOM 606 O CYS B 49 23.117 -4.043 2.718 1.00 25.00 O ATOM 607 CB CYS B 49 19.970 -3.683 2.449 1.00 25.00 C ATOM 608 SG CYS B 49 20.597 -1.980 2.221 1.00 25.00 S ATOM 0 H CYS B 49 19.418 -6.105 2.666 1.00 25.00 H new ATOM 0 HA CYS B 49 21.289 -4.588 1.022 1.00 25.00 H new ATOM 0 HB2 CYS B 49 19.053 -3.799 1.871 1.00 25.00 H new ATOM 0 HB3 CYS B 49 19.706 -3.821 3.497 1.00 25.00 H new ATOM 613 N GLY B 50 22.237 -5.662 3.928 1.00 25.00 N ATOM 614 CA GLY B 50 23.379 -5.744 4.841 1.00 25.00 C ATOM 615 C GLY B 50 23.327 -4.748 5.982 1.00 25.00 C ATOM 616 O GLY B 50 23.239 -5.150 7.130 1.00 25.00 O ATOM 0 H GLY B 50 21.484 -6.319 4.131 1.00 25.00 H new ATOM 0 HA2 GLY B 50 23.430 -6.752 5.254 1.00 25.00 H new ATOM 0 HA3 GLY B 50 24.296 -5.585 4.274 1.00 25.00 H new ATOM 620 N GLU B 51 23.522 -3.449 5.700 1.00 25.00 N ATOM 621 CA GLU B 51 23.589 -2.446 6.764 1.00 25.00 C ATOM 622 C GLU B 51 23.250 -0.982 6.381 1.00 25.00 C ATOM 623 O GLU B 51 23.362 -0.099 7.207 1.00 25.00 O ATOM 624 CB GLU B 51 25.002 -2.432 7.351 1.00 25.00 C ATOM 625 CG GLU B 51 25.099 -2.680 8.863 1.00 25.00 C ATOM 626 CD GLU B 51 25.966 -1.655 9.566 1.00 25.00 C ATOM 627 OE1 GLU B 51 27.038 -1.911 10.074 1.00 25.00 O ATOM 628 OE2 GLU B 51 25.473 -0.480 9.561 1.00 25.00 O ATOM 0 H GLU B 51 23.634 -3.077 4.757 1.00 25.00 H new ATOM 0 HA GLU B 51 22.812 -2.762 7.460 1.00 25.00 H new ATOM 0 HB2 GLU B 51 25.596 -3.189 6.839 1.00 25.00 H new ATOM 0 HB3 GLU B 51 25.457 -1.467 7.130 1.00 25.00 H new ATOM 0 HG2 GLU B 51 24.099 -2.662 9.295 1.00 25.00 H new ATOM 0 HG3 GLU B 51 25.505 -3.676 9.039 1.00 25.00 H new ATOM 636 N GLN B 52 22.825 -0.723 5.152 1.00 25.00 N ATOM 637 CA GLN B 52 22.569 0.658 4.693 1.00 25.00 C ATOM 638 C GLN B 52 21.138 1.121 5.017 1.00 25.00 C ATOM 639 O GLN B 52 20.708 2.189 4.620 1.00 25.00 O ATOM 640 CB GLN B 52 22.842 0.786 3.187 1.00 25.00 C ATOM 641 CG GLN B 52 24.348 0.910 2.811 1.00 25.00 C ATOM 642 CD GLN B 52 24.799 2.349 2.758 1.00 25.00 C ATOM 643 OE1 GLN B 52 24.650 3.089 3.708 1.00 25.00 O ATOM 644 NE2 GLN B 52 25.369 2.753 1.652 1.00 25.00 N ATOM 0 H GLN B 52 22.647 -1.440 4.449 1.00 25.00 H new ATOM 0 HA GLN B 52 23.254 1.309 5.236 1.00 25.00 H new ATOM 0 HB2 GLN B 52 22.425 -0.084 2.680 1.00 25.00 H new ATOM 0 HB3 GLN B 52 22.313 1.660 2.808 1.00 25.00 H new ATOM 0 HG2 GLN B 52 24.950 0.368 3.540 1.00 25.00 H new ATOM 0 HG3 GLN B 52 24.520 0.440 1.843 1.00 25.00 H new ATOM 0 HE21 GLN B 52 25.480 2.107 0.870 1.00 25.00 H new ATOM 0 HE22 GLN B 52 25.702 3.714 1.571 1.00 25.00 H new ATOM 653 N GLY B 53 20.419 0.314 5.779 1.00 25.00 N ATOM 654 CA GLY B 53 19.079 0.682 6.179 1.00 25.00 C ATOM 655 C GLY B 53 18.594 -0.120 7.355 1.00 25.00 C ATOM 656 O GLY B 53 19.088 -1.193 7.556 1.00 25.00 O ATOM 0 H GLY B 53 20.739 -0.589 6.128 1.00 25.00 H new ATOM 0 HA2 GLY B 53 19.056 1.742 6.431 1.00 25.00 H new ATOM 0 HA3 GLY B 53 18.399 0.539 5.339 1.00 25.00 H new ATOM 660 N PHE B 54 17.579 0.400 8.021 1.00 25.00 N ATOM 661 CA PHE B 54 16.868 -0.184 9.191 1.00 25.00 C ATOM 662 C PHE B 54 17.744 -0.236 10.419 1.00 25.00 C ATOM 663 O PHE B 54 18.936 -0.504 10.334 1.00 25.00 O ATOM 664 CB PHE B 54 16.273 -1.578 8.930 1.00 25.00 C ATOM 665 CG PHE B 54 15.433 -1.655 7.716 1.00 25.00 C ATOM 666 CD1 PHE B 54 14.087 -1.221 7.705 1.00 25.00 C ATOM 667 CD2 PHE B 54 16.004 -2.147 6.507 1.00 25.00 C ATOM 668 CE1 PHE B 54 13.310 -1.290 6.496 1.00 25.00 C ATOM 669 CE2 PHE B 54 15.254 -2.239 5.333 1.00 25.00 C ATOM 670 CZ PHE B 54 13.911 -1.821 5.287 1.00 25.00 C ATOM 0 H PHE B 54 17.187 1.304 7.757 1.00 25.00 H new ATOM 0 HA PHE B 54 16.035 0.497 9.367 1.00 25.00 H new ATOM 0 HB2 PHE B 54 17.086 -2.299 8.843 1.00 25.00 H new ATOM 0 HB3 PHE B 54 15.676 -1.874 9.792 1.00 25.00 H new ATOM 0 HD1 PHE B 54 13.640 -0.836 8.609 1.00 25.00 H new ATOM 0 HD2 PHE B 54 17.039 -2.455 6.498 1.00 25.00 H new ATOM 0 HE1 PHE B 54 12.285 -0.949 6.489 1.00 25.00 H new ATOM 0 HE2 PHE B 54 15.714 -2.639 4.442 1.00 25.00 H new ATOM 0 HZ PHE B 54 13.341 -1.894 4.373 1.00 25.00 H new ATOM 680 N PHE B 55 17.181 0.061 11.568 1.00 25.00 N ATOM 681 CA PHE B 55 18.012 0.101 12.760 1.00 25.00 C ATOM 682 C PHE B 55 17.214 -0.394 13.914 1.00 25.00 C ATOM 683 O PHE B 55 16.032 0.008 14.060 1.00 25.00 O ATOM 684 CB PHE B 55 18.437 1.541 12.981 1.00 25.00 C ATOM 685 CG PHE B 55 19.374 1.728 14.163 1.00 25.00 C ATOM 686 CD1 PHE B 55 20.721 1.298 14.074 1.00 25.00 C ATOM 687 CD2 PHE B 55 18.928 2.320 15.359 1.00 25.00 C ATOM 688 CE1 PHE B 55 21.591 1.452 15.204 1.00 25.00 C ATOM 689 CE2 PHE B 55 19.798 2.458 16.466 1.00 25.00 C ATOM 690 CZ PHE B 55 21.122 2.030 16.360 1.00 25.00 C ATOM 0 H PHE B 55 16.193 0.271 11.707 1.00 25.00 H new ATOM 0 HA PHE B 55 18.896 -0.527 12.652 1.00 25.00 H new ATOM 0 HB2 PHE B 55 18.927 1.908 12.079 1.00 25.00 H new ATOM 0 HB3 PHE B 55 17.548 2.153 13.133 1.00 25.00 H new ATOM 0 HD1 PHE B 55 21.091 0.857 13.160 1.00 25.00 H new ATOM 0 HD2 PHE B 55 17.910 2.673 15.433 1.00 25.00 H new ATOM 0 HE1 PHE B 55 22.615 1.114 15.147 1.00 25.00 H new ATOM 0 HE2 PHE B 55 19.440 2.892 17.388 1.00 25.00 H new ATOM 0 HZ PHE B 55 21.789 2.155 17.200 1.00 25.00 H new ATOM 700 N TYR B 56 17.792 -1.298 14.693 1.00 25.00 N ATOM 701 CA TYR B 56 17.095 -1.811 15.900 1.00 25.00 C ATOM 702 C TYR B 56 18.020 -1.980 17.079 1.00 25.00 C ATOM 703 O TYR B 56 19.121 -2.463 16.935 1.00 25.00 O ATOM 704 CB TYR B 56 16.480 -3.168 15.589 1.00 25.00 C ATOM 705 CG TYR B 56 15.974 -3.837 16.881 1.00 25.00 C ATOM 706 CD1 TYR B 56 14.743 -3.482 17.433 1.00 25.00 C ATOM 707 CD2 TYR B 56 16.751 -4.847 17.519 1.00 25.00 C ATOM 708 CE1 TYR B 56 14.254 -4.111 18.632 1.00 25.00 C ATOM 709 CE2 TYR B 56 16.267 -5.486 18.671 1.00 25.00 C ATOM 710 CZ TYR B 56 15.020 -5.111 19.211 1.00 25.00 C ATOM 711 OH TYR B 56 14.546 -5.752 20.345 1.00 25.00 O ATOM 0 H TYR B 56 18.718 -1.693 14.531 1.00 25.00 H new ATOM 0 HA TYR B 56 16.336 -1.075 16.163 1.00 25.00 H new ATOM 0 HB2 TYR B 56 15.655 -3.048 14.887 1.00 25.00 H new ATOM 0 HB3 TYR B 56 17.219 -3.807 15.106 1.00 25.00 H new ATOM 0 HD1 TYR B 56 14.146 -2.721 16.952 1.00 25.00 H new ATOM 0 HD2 TYR B 56 17.714 -5.121 17.115 1.00 25.00 H new ATOM 0 HE1 TYR B 56 13.313 -3.811 19.070 1.00 25.00 H new ATOM 0 HE2 TYR B 56 16.849 -6.264 19.143 1.00 25.00 H new ATOM 0 HH TYR B 56 15.194 -6.429 20.633 1.00 25.00 H new ATOM 721 N THR B 57 17.525 -1.586 18.253 1.00 25.00 N ATOM 722 CA THR B 57 18.276 -1.770 19.519 1.00 25.00 C ATOM 723 C THR B 57 17.446 -2.591 20.541 1.00 25.00 C ATOM 724 O THR B 57 16.241 -2.331 20.758 1.00 25.00 O ATOM 725 CB THR B 57 18.670 -0.425 20.197 1.00 25.00 C ATOM 726 OG1 THR B 57 17.505 0.391 20.357 1.00 25.00 O ATOM 727 CG2 THR B 57 19.678 0.302 19.358 1.00 25.00 C ATOM 0 H THR B 57 16.615 -1.139 18.365 1.00 25.00 H new ATOM 0 HA THR B 57 19.187 -2.300 19.241 1.00 25.00 H new ATOM 0 HB THR B 57 19.106 -0.636 21.173 1.00 25.00 H new ATOM 0 HG1 THR B 57 17.754 1.236 20.785 1.00 25.00 H new ATOM 0 HG21 THR B 57 19.946 1.241 19.843 1.00 25.00 H new ATOM 0 HG22 THR B 57 20.570 -0.315 19.245 1.00 25.00 H new ATOM 0 HG23 THR B 57 19.253 0.509 18.376 1.00 25.00 H new ATOM 735 N PRO B 58 18.123 -3.570 21.160 1.00 25.00 N ATOM 736 CA PRO B 58 17.277 -4.299 22.114 1.00 25.00 C ATOM 737 C PRO B 58 17.083 -3.505 23.424 1.00 25.00 C ATOM 738 O PRO B 58 17.736 -2.504 23.672 1.00 25.00 O ATOM 739 CB PRO B 58 18.073 -5.559 22.350 1.00 25.00 C ATOM 740 CG PRO B 58 19.499 -5.134 22.232 1.00 25.00 C ATOM 741 CD PRO B 58 19.484 -4.124 21.128 1.00 25.00 C ATOM 0 HA PRO B 58 16.267 -4.480 21.747 1.00 25.00 H new ATOM 0 HB2 PRO B 58 17.865 -5.980 23.334 1.00 25.00 H new ATOM 0 HB3 PRO B 58 17.826 -6.326 21.616 1.00 25.00 H new ATOM 0 HG2 PRO B 58 19.865 -4.702 23.163 1.00 25.00 H new ATOM 0 HG3 PRO B 58 20.148 -5.976 21.994 1.00 25.00 H new ATOM 0 HD2 PRO B 58 20.233 -3.348 21.288 1.00 25.00 H new ATOM 0 HD3 PRO B 58 19.703 -4.585 20.165 1.00 25.00 H new ATOM 749 N LYS B 59 16.233 -4.017 24.308 1.00 25.00 N ATOM 750 CA LYS B 59 16.000 -3.393 25.637 1.00 25.00 C ATOM 751 C LYS B 59 16.440 -4.379 26.761 1.00 25.00 C ATOM 752 O LYS B 59 15.952 -4.333 27.881 1.00 25.00 O ATOM 753 CB LYS B 59 14.535 -2.951 25.823 1.00 25.00 C ATOM 754 CG LYS B 59 13.499 -4.032 25.526 1.00 25.00 C ATOM 755 CD LYS B 59 12.068 -3.578 25.937 1.00 25.00 C ATOM 756 CE LYS B 59 11.524 -2.496 25.015 1.00 25.00 C ATOM 757 NZ LYS B 59 10.211 -1.945 25.442 1.00 25.00 N ATOM 0 H LYS B 59 15.687 -4.862 24.143 1.00 25.00 H new ATOM 0 HA LYS B 59 16.604 -2.488 25.699 1.00 25.00 H new ATOM 0 HB2 LYS B 59 14.400 -2.610 26.850 1.00 25.00 H new ATOM 0 HB3 LYS B 59 14.343 -2.095 25.175 1.00 25.00 H new ATOM 0 HG2 LYS B 59 13.515 -4.270 24.463 1.00 25.00 H new ATOM 0 HG3 LYS B 59 13.760 -4.945 26.061 1.00 25.00 H new ATOM 0 HD2 LYS B 59 11.397 -4.437 25.922 1.00 25.00 H new ATOM 0 HD3 LYS B 59 12.086 -3.205 26.961 1.00 25.00 H new ATOM 0 HE2 LYS B 59 12.247 -1.683 24.959 1.00 25.00 H new ATOM 0 HE3 LYS B 59 11.426 -2.905 24.009 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 9.905 -1.215 24.767 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 9.506 -2.709 25.469 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 10.302 -1.525 26.389 1.00 25.00 H new ATOM 771 N THR B 60 17.388 -5.252 26.411 1.00 25.00 N ATOM 772 CA THR B 60 17.989 -6.198 27.344 1.00 25.00 C ATOM 773 C THR B 60 18.775 -5.570 28.467 1.00 25.00 C ATOM 774 O THR B 60 19.373 -4.538 28.372 1.00 25.00 O ATOM 775 CB THR B 60 18.867 -7.113 26.524 1.00 25.00 C ATOM 776 OG1 THR B 60 19.516 -6.306 25.511 1.00 25.00 O ATOM 777 CG2 THR B 60 18.021 -8.146 25.731 1.00 25.00 C ATOM 778 OXT THR B 60 18.705 -6.218 29.547 1.00 25.00 O ATOM 0 H THR B 60 17.760 -5.320 25.464 1.00 25.00 H new ATOM 0 HA THR B 60 17.186 -6.732 27.853 1.00 25.00 H new ATOM 0 HB THR B 60 19.556 -7.618 27.201 1.00 25.00 H new ATOM 0 HG1 THR B 60 20.096 -6.874 24.962 1.00 25.00 H new ATOM 0 HG21 THR B 60 18.683 -8.790 25.151 1.00 25.00 H new ATOM 0 HG22 THR B 60 17.442 -8.753 26.427 1.00 25.00 H new ATOM 0 HG23 THR B 60 17.343 -7.621 25.058 1.00 25.00 H new TER 787 THR B 60