USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 420 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 46 TYR OH : rot -127:sc= 0.164 USER MOD Set 1.2: A 51 LYS NZ :NH3+ 166:sc= 0.613 (180deg=0.403) USER MOD Set 2.1: A 33 GLN : amide:sc= -1.12 K(o=-2,f=0.11) USER MOD Set 2.2: A 36 ASN : amide:sc= -0.898 K(o=-2,f=0.021) USER MOD Set 3.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 5 LYS NZ :NH3+ -129:sc= -0.0152 (180deg=-0.797) USER MOD Set 4.2: A 50 THR OG1 : rot -27:sc= 0.198 USER MOD Set 4.3: A 52 THR OG1 : rot 63:sc= 0.164 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 0.594 (180deg=0.297) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.0643 K(o=-0.064,f=-1.3!) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 1.22 (180deg=1.17) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 28:sc= 0.104 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -130:sc= 0.0289 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0.916 K(o=0.92,f=-0.022) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.527 -0.518 1.045 1.00 0.00 N ATOM 2 CA MET A 1 -15.150 -1.223 -0.192 1.00 0.00 C ATOM 3 C MET A 1 -14.864 -0.226 -1.298 1.00 0.00 C ATOM 4 O MET A 1 -15.390 0.886 -1.266 1.00 0.00 O ATOM 5 CB MET A 1 -16.226 -2.244 -0.615 1.00 0.00 C ATOM 6 CG MET A 1 -15.815 -3.119 -1.810 1.00 0.00 C ATOM 7 SD MET A 1 -16.509 -4.784 -1.788 1.00 0.00 S ATOM 8 CE MET A 1 -15.728 -5.436 -3.287 1.00 0.00 C ATOM 0 H1 MET A 1 -15.424 -1.161 1.856 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.908 0.307 1.177 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.515 -0.202 0.977 1.00 0.00 H new ATOM 0 HA MET A 1 -14.239 -1.788 0.003 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.455 -2.889 0.233 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.142 -1.709 -0.866 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.122 -2.623 -2.731 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.728 -3.192 -1.834 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.041 -6.469 -3.441 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.028 -4.834 -4.145 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.644 -5.398 -3.178 1.00 0.00 H new ATOM 18 N GLY A 2 -14.144 -0.667 -2.328 1.00 0.00 N ATOM 19 CA GLY A 2 -13.754 0.113 -3.485 1.00 0.00 C ATOM 20 C GLY A 2 -12.279 -0.071 -3.789 1.00 0.00 C ATOM 21 O GLY A 2 -11.612 -0.922 -3.196 1.00 0.00 O ATOM 0 H GLY A 2 -13.803 -1.627 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.348 -0.188 -4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.964 1.167 -3.305 1.00 0.00 H new ATOM 25 N THR A 3 -11.795 0.674 -4.771 1.00 0.00 N ATOM 26 CA THR A 3 -10.420 0.632 -5.226 1.00 0.00 C ATOM 27 C THR A 3 -9.501 1.343 -4.238 1.00 0.00 C ATOM 28 O THR A 3 -9.801 2.441 -3.763 1.00 0.00 O ATOM 29 CB THR A 3 -10.341 1.265 -6.622 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.355 0.720 -7.437 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.998 0.995 -7.310 1.00 0.00 C ATOM 0 H THR A 3 -12.367 1.343 -5.286 1.00 0.00 H new ATOM 0 HA THR A 3 -10.084 -0.403 -5.286 1.00 0.00 H new ATOM 0 HB THR A 3 -10.458 2.341 -6.493 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.309 1.123 -8.329 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.993 1.464 -8.294 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.190 1.409 -6.706 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.855 -0.080 -7.419 1.00 0.00 H new ATOM 39 N TYR A 4 -8.355 0.721 -3.988 1.00 0.00 N ATOM 40 CA TYR A 4 -7.289 1.179 -3.119 1.00 0.00 C ATOM 41 C TYR A 4 -6.002 1.208 -3.953 1.00 0.00 C ATOM 42 O TYR A 4 -5.881 0.473 -4.941 1.00 0.00 O ATOM 43 CB TYR A 4 -7.188 0.239 -1.911 1.00 0.00 C ATOM 44 CG TYR A 4 -8.311 0.386 -0.908 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.206 1.322 0.136 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.449 -0.426 -1.005 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.232 1.445 1.089 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.494 -0.288 -0.080 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.391 0.644 0.973 1.00 0.00 C ATOM 50 OH TYR A 4 -11.416 0.762 1.857 1.00 0.00 O ATOM 0 H TYR A 4 -8.136 -0.177 -4.419 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.475 2.179 -2.728 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.169 -0.791 -2.268 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.240 0.419 -1.405 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.331 1.951 0.206 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.521 -1.160 -1.794 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.135 2.147 1.904 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.381 -0.898 -0.175 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.128 0.132 1.619 1.00 0.00 H new ATOM 60 N LYS A 5 -5.010 2.004 -3.545 1.00 0.00 N ATOM 61 CA LYS A 5 -3.718 2.157 -4.220 1.00 0.00 C ATOM 62 C LYS A 5 -2.591 2.134 -3.205 1.00 0.00 C ATOM 63 O LYS A 5 -2.770 2.588 -2.076 1.00 0.00 O ATOM 64 CB LYS A 5 -3.700 3.479 -5.004 1.00 0.00 C ATOM 65 CG LYS A 5 -2.368 3.812 -5.707 1.00 0.00 C ATOM 66 CD LYS A 5 -2.325 5.212 -6.337 1.00 0.00 C ATOM 67 CE LYS A 5 -3.372 5.424 -7.432 1.00 0.00 C ATOM 68 NZ LYS A 5 -4.682 5.880 -6.911 1.00 0.00 N ATOM 0 H LYS A 5 -5.087 2.580 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.576 1.328 -4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.490 3.448 -5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.943 4.291 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.556 3.725 -4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.184 3.070 -6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.473 5.957 -5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.333 5.382 -6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.997 6.158 -8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.511 4.491 -7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.437 5.273 -7.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.681 5.823 -5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.849 6.864 -7.204 1.00 0.00 H new ATOM 82 N LEU A 6 -1.450 1.585 -3.597 1.00 0.00 N ATOM 83 CA LEU A 6 -0.253 1.508 -2.777 1.00 0.00 C ATOM 84 C LEU A 6 0.853 2.212 -3.540 1.00 0.00 C ATOM 85 O LEU A 6 0.974 2.028 -4.752 1.00 0.00 O ATOM 86 CB LEU A 6 0.126 0.048 -2.539 1.00 0.00 C ATOM 87 CG LEU A 6 1.474 -0.174 -1.824 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.453 0.456 -0.427 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.759 -1.679 -1.749 1.00 0.00 C ATOM 0 H LEU A 6 -1.330 1.170 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.416 1.976 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.661 -0.423 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.155 -0.464 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 6 2.271 0.310 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.413 0.289 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.271 1.527 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.660 0.000 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.711 -1.844 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.963 -2.173 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.806 -2.091 -2.757 1.00 0.00 H new ATOM 101 N ILE A 7 1.671 2.967 -2.817 1.00 0.00 N ATOM 102 CA ILE A 7 2.804 3.717 -3.318 1.00 0.00 C ATOM 103 C ILE A 7 3.997 3.244 -2.492 1.00 0.00 C ATOM 104 O ILE A 7 4.109 3.542 -1.300 1.00 0.00 O ATOM 105 CB ILE A 7 2.543 5.237 -3.230 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.283 5.600 -4.051 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.781 6.012 -3.720 1.00 0.00 C ATOM 108 CD1 ILE A 7 0.948 7.091 -4.110 1.00 0.00 C ATOM 0 H ILE A 7 1.550 3.075 -1.810 1.00 0.00 H new ATOM 0 HA ILE A 7 2.994 3.542 -4.377 1.00 0.00 H new ATOM 0 HB ILE A 7 2.362 5.519 -2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.415 5.234 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.429 5.069 -3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.589 7.083 -3.655 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.639 5.759 -3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.992 5.744 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.049 7.239 -4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.778 7.466 -3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.778 7.633 -4.563 1.00 0.00 H new ATOM 120 N LEU A 8 4.828 2.405 -3.098 1.00 0.00 N ATOM 121 CA LEU A 8 6.024 1.866 -2.479 1.00 0.00 C ATOM 122 C LEU A 8 7.111 2.910 -2.660 1.00 0.00 C ATOM 123 O LEU A 8 7.595 3.100 -3.773 1.00 0.00 O ATOM 124 CB LEU A 8 6.490 0.566 -3.152 1.00 0.00 C ATOM 125 CG LEU A 8 5.517 -0.606 -3.056 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.999 -1.750 -3.956 1.00 0.00 C ATOM 127 CD2 LEU A 8 5.307 -1.134 -1.643 1.00 0.00 C ATOM 0 H LEU A 8 4.683 2.076 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 8 5.817 1.639 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.683 0.771 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.439 0.266 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 8 4.552 -0.221 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.303 -2.586 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.049 -1.404 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.989 -2.074 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.602 -1.965 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.259 -1.477 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.910 -0.338 -1.013 1.00 0.00 H new ATOM 139 N ASN A 9 7.448 3.624 -1.597 1.00 0.00 N ATOM 140 CA ASN A 9 8.507 4.626 -1.605 1.00 0.00 C ATOM 141 C ASN A 9 9.674 3.970 -0.865 1.00 0.00 C ATOM 142 O ASN A 9 9.986 4.337 0.269 1.00 0.00 O ATOM 143 CB ASN A 9 8.094 5.938 -0.900 1.00 0.00 C ATOM 144 CG ASN A 9 7.411 6.973 -1.775 1.00 0.00 C ATOM 145 OD1 ASN A 9 7.545 7.007 -2.997 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.712 7.894 -1.144 1.00 0.00 N ATOM 0 H ASN A 9 6.989 3.524 -0.692 1.00 0.00 H new ATOM 0 HA ASN A 9 8.756 4.915 -2.626 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.426 5.690 -0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.985 6.390 -0.464 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.272 8.650 -1.669 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.610 7.852 -0.130 1.00 0.00 H new ATOM 153 N GLY A 10 10.358 3.017 -1.495 1.00 0.00 N ATOM 154 CA GLY A 10 11.484 2.359 -0.862 1.00 0.00 C ATOM 155 C GLY A 10 12.779 3.067 -1.224 1.00 0.00 C ATOM 156 O GLY A 10 12.923 3.670 -2.291 1.00 0.00 O ATOM 0 H GLY A 10 10.149 2.689 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.352 2.358 0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.530 1.317 -1.179 1.00 0.00 H new ATOM 160 N LYS A 11 13.759 2.967 -0.332 1.00 0.00 N ATOM 161 CA LYS A 11 15.090 3.562 -0.465 1.00 0.00 C ATOM 162 C LYS A 11 15.896 2.988 -1.634 1.00 0.00 C ATOM 163 O LYS A 11 16.890 3.598 -2.033 1.00 0.00 O ATOM 164 CB LYS A 11 15.827 3.336 0.863 1.00 0.00 C ATOM 165 CG LYS A 11 15.326 4.291 1.957 1.00 0.00 C ATOM 166 CD LYS A 11 15.302 3.658 3.350 1.00 0.00 C ATOM 167 CE LYS A 11 16.594 3.024 3.860 1.00 0.00 C ATOM 168 NZ LYS A 11 16.306 2.198 5.054 1.00 0.00 N ATOM 0 H LYS A 11 13.646 2.449 0.539 1.00 0.00 H new ATOM 0 HA LYS A 11 14.979 4.624 -0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.686 2.305 1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.897 3.481 0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.964 5.174 1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.322 4.629 1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.000 4.425 4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.526 2.893 3.358 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.041 2.409 3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.318 3.800 4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.194 1.809 5.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.851 2.786 5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.670 1.418 4.791 1.00 0.00 H new ATOM 182 N THR A 12 15.478 1.857 -2.198 1.00 0.00 N ATOM 183 CA THR A 12 16.135 1.172 -3.314 1.00 0.00 C ATOM 184 C THR A 12 15.146 0.549 -4.296 1.00 0.00 C ATOM 185 O THR A 12 15.553 0.237 -5.421 1.00 0.00 O ATOM 186 CB THR A 12 17.051 0.052 -2.789 1.00 0.00 C ATOM 187 OG1 THR A 12 16.332 -0.776 -1.906 1.00 0.00 O ATOM 188 CG2 THR A 12 18.276 0.592 -2.069 1.00 0.00 C ATOM 0 H THR A 12 14.639 1.372 -1.879 1.00 0.00 H new ATOM 0 HA THR A 12 16.708 1.936 -3.839 1.00 0.00 H new ATOM 0 HB THR A 12 17.393 -0.513 -3.656 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.918 -1.489 -1.575 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.888 -0.239 -1.719 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.858 1.208 -2.754 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.961 1.195 -1.217 1.00 0.00 H new ATOM 196 N LEU A 13 13.890 0.328 -3.887 1.00 0.00 N ATOM 197 CA LEU A 13 12.854 -0.255 -4.734 1.00 0.00 C ATOM 198 C LEU A 13 11.568 0.523 -4.571 1.00 0.00 C ATOM 199 O LEU A 13 11.163 0.785 -3.439 1.00 0.00 O ATOM 200 CB LEU A 13 12.621 -1.726 -4.380 1.00 0.00 C ATOM 201 CG LEU A 13 11.531 -2.375 -5.269 1.00 0.00 C ATOM 202 CD1 LEU A 13 11.841 -3.862 -5.455 1.00 0.00 C ATOM 203 CD2 LEU A 13 10.115 -2.296 -4.677 1.00 0.00 C ATOM 0 H LEU A 13 13.566 0.553 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 13 13.185 -0.202 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.555 -2.277 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.328 -1.804 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 13 11.548 -1.815 -6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.074 -4.318 -6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.814 -3.974 -5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.857 -4.355 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.409 -2.772 -5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.094 -2.809 -3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.837 -1.251 -4.537 1.00 0.00 H new ATOM 215 N LYS A 14 10.909 0.878 -5.671 1.00 0.00 N ATOM 216 CA LYS A 14 9.657 1.618 -5.631 1.00 0.00 C ATOM 217 C LYS A 14 8.705 1.069 -6.671 1.00 0.00 C ATOM 218 O LYS A 14 9.115 0.408 -7.624 1.00 0.00 O ATOM 219 CB LYS A 14 9.905 3.104 -5.892 1.00 0.00 C ATOM 220 CG LYS A 14 10.748 3.756 -4.793 1.00 0.00 C ATOM 221 CD LYS A 14 11.437 5.015 -5.269 1.00 0.00 C ATOM 222 CE LYS A 14 12.581 4.611 -6.199 1.00 0.00 C ATOM 223 NZ LYS A 14 13.398 5.793 -6.506 1.00 0.00 N ATOM 0 H LYS A 14 11.230 0.659 -6.614 1.00 0.00 H new ATOM 0 HA LYS A 14 9.217 1.506 -4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.409 3.223 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.949 3.621 -5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.110 3.993 -3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.496 3.045 -4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.731 5.660 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.819 5.583 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.194 3.843 -5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.183 4.181 -7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.177 5.521 -7.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.808 6.511 -6.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.788 6.184 -5.625 1.00 0.00 H new ATOM 237 N GLY A 15 7.425 1.351 -6.490 1.00 0.00 N ATOM 238 CA GLY A 15 6.406 0.906 -7.412 1.00 0.00 C ATOM 239 C GLY A 15 5.023 1.318 -6.958 1.00 0.00 C ATOM 240 O GLY A 15 4.828 1.685 -5.801 1.00 0.00 O ATOM 0 H GLY A 15 7.070 1.893 -5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.603 1.321 -8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.450 -0.179 -7.507 1.00 0.00 H new ATOM 244 N GLU A 16 4.031 1.216 -7.837 1.00 0.00 N ATOM 245 CA GLU A 16 2.654 1.585 -7.538 1.00 0.00 C ATOM 246 C GLU A 16 1.724 0.478 -8.023 1.00 0.00 C ATOM 247 O GLU A 16 1.753 0.141 -9.212 1.00 0.00 O ATOM 248 CB GLU A 16 2.309 2.912 -8.242 1.00 0.00 C ATOM 249 CG GLU A 16 2.741 4.157 -7.451 1.00 0.00 C ATOM 250 CD GLU A 16 3.522 5.178 -8.287 1.00 0.00 C ATOM 251 OE1 GLU A 16 2.945 5.788 -9.224 1.00 0.00 O ATOM 252 OE2 GLU A 16 4.705 5.445 -7.988 1.00 0.00 O ATOM 0 H GLU A 16 4.164 0.871 -8.788 1.00 0.00 H new ATOM 0 HA GLU A 16 2.531 1.715 -6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.787 2.930 -9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.233 2.955 -8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.855 4.640 -7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.356 3.845 -6.607 1.00 0.00 H new ATOM 259 N THR A 17 0.865 -0.028 -7.137 1.00 0.00 N ATOM 260 CA THR A 17 -0.105 -1.083 -7.414 1.00 0.00 C ATOM 261 C THR A 17 -1.492 -0.624 -6.944 1.00 0.00 C ATOM 262 O THR A 17 -1.614 0.345 -6.183 1.00 0.00 O ATOM 263 CB THR A 17 0.373 -2.431 -6.819 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.347 -3.487 -7.410 1.00 0.00 O ATOM 265 CG2 THR A 17 0.252 -2.567 -5.294 1.00 0.00 C ATOM 0 H THR A 17 0.826 0.299 -6.172 1.00 0.00 H new ATOM 0 HA THR A 17 -0.189 -1.268 -8.485 1.00 0.00 H new ATOM 0 HB THR A 17 1.439 -2.469 -7.043 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.044 -4.340 -7.035 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.614 -3.548 -4.986 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.848 -1.792 -4.811 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.792 -2.457 -5.001 1.00 0.00 H new ATOM 273 N THR A 18 -2.550 -1.305 -7.387 1.00 0.00 N ATOM 274 CA THR A 18 -3.928 -0.976 -7.040 1.00 0.00 C ATOM 275 C THR A 18 -4.761 -2.248 -6.941 1.00 0.00 C ATOM 276 O THR A 18 -4.568 -3.146 -7.760 1.00 0.00 O ATOM 277 CB THR A 18 -4.549 -0.102 -8.145 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.332 -0.685 -9.422 1.00 0.00 O ATOM 279 CG2 THR A 18 -3.984 1.316 -8.192 1.00 0.00 C ATOM 0 H THR A 18 -2.469 -2.112 -8.006 1.00 0.00 H new ATOM 0 HA THR A 18 -3.922 -0.448 -6.086 1.00 0.00 H new ATOM 0 HB THR A 18 -5.610 -0.045 -7.902 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.250 -1.657 -9.328 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.467 1.874 -8.994 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.170 1.814 -7.240 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.910 1.274 -8.375 1.00 0.00 H new ATOM 287 N THR A 19 -5.641 -2.360 -5.950 1.00 0.00 N ATOM 288 CA THR A 19 -6.509 -3.518 -5.789 1.00 0.00 C ATOM 289 C THR A 19 -7.837 -3.046 -5.195 1.00 0.00 C ATOM 290 O THR A 19 -7.867 -2.043 -4.476 1.00 0.00 O ATOM 291 CB THR A 19 -5.783 -4.571 -4.925 1.00 0.00 C ATOM 292 OG1 THR A 19 -6.431 -5.829 -4.944 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.634 -4.129 -3.472 1.00 0.00 C ATOM 0 H THR A 19 -5.771 -1.646 -5.234 1.00 0.00 H new ATOM 0 HA THR A 19 -6.734 -3.998 -6.742 1.00 0.00 H new ATOM 0 HB THR A 19 -4.795 -4.670 -5.376 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.934 -6.462 -4.385 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.117 -4.905 -2.907 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.058 -3.205 -3.430 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.620 -3.962 -3.040 1.00 0.00 H new ATOM 301 N GLU A 20 -8.941 -3.730 -5.482 1.00 0.00 N ATOM 302 CA GLU A 20 -10.231 -3.375 -4.898 1.00 0.00 C ATOM 303 C GLU A 20 -10.304 -4.199 -3.616 1.00 0.00 C ATOM 304 O GLU A 20 -10.040 -5.407 -3.655 1.00 0.00 O ATOM 305 CB GLU A 20 -11.407 -3.685 -5.832 1.00 0.00 C ATOM 306 CG GLU A 20 -11.457 -2.715 -7.032 1.00 0.00 C ATOM 307 CD GLU A 20 -11.533 -3.379 -8.411 1.00 0.00 C ATOM 308 OE1 GLU A 20 -11.628 -4.623 -8.535 1.00 0.00 O ATOM 309 OE2 GLU A 20 -11.437 -2.662 -9.432 1.00 0.00 O ATOM 0 H GLU A 20 -8.969 -4.531 -6.113 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.306 -2.303 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.322 -4.709 -6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.341 -3.621 -5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.322 -2.062 -6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.571 -2.080 -7.001 1.00 0.00 H new ATOM 316 N ALA A 21 -10.588 -3.568 -2.479 1.00 0.00 N ATOM 317 CA ALA A 21 -10.688 -4.258 -1.200 1.00 0.00 C ATOM 318 C ALA A 21 -12.046 -3.981 -0.580 1.00 0.00 C ATOM 319 O ALA A 21 -12.638 -2.922 -0.804 1.00 0.00 O ATOM 320 CB ALA A 21 -9.575 -3.802 -0.258 1.00 0.00 C ATOM 0 H ALA A 21 -10.755 -2.563 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.579 -5.330 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.665 -4.328 0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.606 -4.024 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.659 -2.729 -0.089 1.00 0.00 H new ATOM 326 N VAL A 22 -12.506 -4.916 0.243 1.00 0.00 N ATOM 327 CA VAL A 22 -13.783 -4.821 0.934 1.00 0.00 C ATOM 328 C VAL A 22 -13.744 -3.708 1.979 1.00 0.00 C ATOM 329 O VAL A 22 -14.715 -2.973 2.132 1.00 0.00 O ATOM 330 CB VAL A 22 -14.178 -6.178 1.538 1.00 0.00 C ATOM 331 CG1 VAL A 22 -14.365 -7.220 0.427 1.00 0.00 C ATOM 332 CG2 VAL A 22 -13.153 -6.713 2.546 1.00 0.00 C ATOM 0 H VAL A 22 -11.994 -5.773 0.451 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.557 -4.558 0.213 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.113 -6.009 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.645 -8.177 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -15.151 -6.890 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.432 -7.334 -0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.492 -7.673 2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.190 -6.841 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.048 -6.005 3.368 1.00 0.00 H new ATOM 342 N ASP A 23 -12.620 -3.530 2.666 1.00 0.00 N ATOM 343 CA ASP A 23 -12.451 -2.503 3.679 1.00 0.00 C ATOM 344 C ASP A 23 -10.987 -2.107 3.698 1.00 0.00 C ATOM 345 O ASP A 23 -10.119 -2.836 3.202 1.00 0.00 O ATOM 346 CB ASP A 23 -12.896 -3.010 5.066 1.00 0.00 C ATOM 347 CG ASP A 23 -14.335 -2.594 5.360 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.556 -1.367 5.458 1.00 0.00 O ATOM 349 OD2 ASP A 23 -15.239 -3.456 5.469 1.00 0.00 O ATOM 0 H ASP A 23 -11.790 -4.106 2.530 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.074 -1.641 3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.812 -4.096 5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.233 -2.611 5.834 1.00 0.00 H new ATOM 354 N ALA A 24 -10.701 -0.961 4.315 1.00 0.00 N ATOM 355 CA ALA A 24 -9.352 -0.437 4.428 1.00 0.00 C ATOM 356 C ALA A 24 -8.478 -1.394 5.237 1.00 0.00 C ATOM 357 O ALA A 24 -7.271 -1.428 5.022 1.00 0.00 O ATOM 358 CB ALA A 24 -9.376 0.956 5.056 1.00 0.00 C ATOM 0 H ALA A 24 -11.409 -0.370 4.752 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.921 -0.349 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.358 1.337 5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.967 1.626 4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.820 0.899 6.050 1.00 0.00 H new ATOM 364 N ALA A 25 -9.068 -2.176 6.150 1.00 0.00 N ATOM 365 CA ALA A 25 -8.327 -3.134 6.954 1.00 0.00 C ATOM 366 C ALA A 25 -7.765 -4.197 6.003 1.00 0.00 C ATOM 367 O ALA A 25 -6.565 -4.467 6.017 1.00 0.00 O ATOM 368 CB ALA A 25 -9.242 -3.717 8.031 1.00 0.00 C ATOM 0 H ALA A 25 -10.069 -2.157 6.346 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.494 -2.667 7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.684 -4.435 8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.608 -2.914 8.671 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.087 -4.218 7.558 1.00 0.00 H new ATOM 374 N THR A 26 -8.607 -4.759 5.135 1.00 0.00 N ATOM 375 CA THR A 26 -8.241 -5.757 4.141 1.00 0.00 C ATOM 376 C THR A 26 -7.236 -5.153 3.164 1.00 0.00 C ATOM 377 O THR A 26 -6.238 -5.793 2.831 1.00 0.00 O ATOM 378 CB THR A 26 -9.500 -6.220 3.391 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.590 -6.313 4.283 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.268 -7.562 2.691 1.00 0.00 C ATOM 0 H THR A 26 -9.598 -4.520 5.108 1.00 0.00 H new ATOM 0 HA THR A 26 -7.786 -6.617 4.632 1.00 0.00 H new ATOM 0 HB THR A 26 -9.729 -5.479 2.625 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.026 -7.184 4.177 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.177 -7.862 2.170 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.454 -7.462 1.973 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.008 -8.318 3.431 1.00 0.00 H new ATOM 388 N ALA A 27 -7.478 -3.911 2.732 1.00 0.00 N ATOM 389 CA ALA A 27 -6.606 -3.216 1.809 1.00 0.00 C ATOM 390 C ALA A 27 -5.195 -3.155 2.380 1.00 0.00 C ATOM 391 O ALA A 27 -4.222 -3.523 1.721 1.00 0.00 O ATOM 392 CB ALA A 27 -7.130 -1.808 1.512 1.00 0.00 C ATOM 0 H ALA A 27 -8.291 -3.366 3.020 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.585 -3.767 0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.456 -1.308 0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.124 -1.875 1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.184 -1.237 2.439 1.00 0.00 H new ATOM 398 N GLU A 28 -5.095 -2.731 3.631 1.00 0.00 N ATOM 399 CA GLU A 28 -3.840 -2.606 4.331 1.00 0.00 C ATOM 400 C GLU A 28 -3.121 -3.955 4.437 1.00 0.00 C ATOM 401 O GLU A 28 -1.913 -4.016 4.245 1.00 0.00 O ATOM 402 CB GLU A 28 -4.151 -1.992 5.693 1.00 0.00 C ATOM 403 CG GLU A 28 -2.913 -1.518 6.438 1.00 0.00 C ATOM 404 CD GLU A 28 -3.335 -0.949 7.784 1.00 0.00 C ATOM 405 OE1 GLU A 28 -3.769 -1.759 8.643 1.00 0.00 O ATOM 406 OE2 GLU A 28 -3.308 0.288 7.986 1.00 0.00 O ATOM 0 H GLU A 28 -5.903 -2.461 4.192 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.150 -1.961 3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.829 -1.150 5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.674 -2.727 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.219 -2.346 6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.390 -0.760 5.856 1.00 0.00 H new ATOM 413 N LYS A 29 -3.841 -5.048 4.719 1.00 0.00 N ATOM 414 CA LYS A 29 -3.243 -6.381 4.833 1.00 0.00 C ATOM 415 C LYS A 29 -2.664 -6.832 3.499 1.00 0.00 C ATOM 416 O LYS A 29 -1.527 -7.307 3.468 1.00 0.00 O ATOM 417 CB LYS A 29 -4.276 -7.411 5.314 1.00 0.00 C ATOM 418 CG LYS A 29 -4.660 -7.200 6.783 1.00 0.00 C ATOM 419 CD LYS A 29 -5.686 -8.218 7.293 1.00 0.00 C ATOM 420 CE LYS A 29 -6.995 -8.227 6.494 1.00 0.00 C ATOM 421 NZ LYS A 29 -7.970 -9.180 7.054 1.00 0.00 N ATOM 0 H LYS A 29 -4.849 -5.032 4.874 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.440 -6.315 5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.169 -7.345 4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.873 -8.415 5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.762 -7.260 7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.064 -6.195 6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.244 -9.214 7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.910 -8.003 8.338 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.426 -7.226 6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.786 -8.488 5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.842 -9.158 6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.569 -10.139 7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.189 -8.916 8.036 1.00 0.00 H new ATOM 435 N VAL A 30 -3.441 -6.709 2.425 1.00 0.00 N ATOM 436 CA VAL A 30 -3.023 -7.101 1.087 1.00 0.00 C ATOM 437 C VAL A 30 -1.798 -6.288 0.704 1.00 0.00 C ATOM 438 O VAL A 30 -0.759 -6.859 0.396 1.00 0.00 O ATOM 439 CB VAL A 30 -4.204 -6.934 0.123 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.833 -7.032 -1.358 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.247 -8.006 0.447 1.00 0.00 C ATOM 0 H VAL A 30 -4.387 -6.330 2.463 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.734 -8.151 1.043 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.587 -5.924 0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.728 -6.902 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.111 -6.254 -1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.396 -8.010 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.096 -7.904 -0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.803 -8.994 0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.586 -7.885 1.476 1.00 0.00 H new ATOM 451 N PHE A 31 -1.883 -4.960 0.771 1.00 0.00 N ATOM 452 CA PHE A 31 -0.748 -4.123 0.435 1.00 0.00 C ATOM 453 C PHE A 31 0.454 -4.430 1.306 1.00 0.00 C ATOM 454 O PHE A 31 1.555 -4.449 0.770 1.00 0.00 O ATOM 455 CB PHE A 31 -1.135 -2.656 0.499 1.00 0.00 C ATOM 456 CG PHE A 31 -2.030 -2.187 -0.629 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.003 -2.769 -1.916 1.00 0.00 C ATOM 458 CD2 PHE A 31 -2.839 -1.069 -0.396 1.00 0.00 C ATOM 459 CE1 PHE A 31 -2.780 -2.234 -2.950 1.00 0.00 C ATOM 460 CE2 PHE A 31 -3.594 -0.514 -1.440 1.00 0.00 C ATOM 461 CZ PHE A 31 -3.570 -1.101 -2.716 1.00 0.00 C ATOM 0 H PHE A 31 -2.721 -4.451 1.053 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.452 -4.348 -0.590 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.640 -2.469 1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.226 -2.054 0.497 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.380 -3.631 -2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.882 -0.632 0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.771 -2.694 -3.927 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.195 0.366 -1.262 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.160 -0.679 -3.516 1.00 0.00 H new ATOM 471 N LYS A 32 0.284 -4.701 2.602 1.00 0.00 N ATOM 472 CA LYS A 32 1.418 -5.040 3.469 1.00 0.00 C ATOM 473 C LYS A 32 2.110 -6.270 2.909 1.00 0.00 C ATOM 474 O LYS A 32 3.322 -6.273 2.733 1.00 0.00 O ATOM 475 CB LYS A 32 0.994 -5.265 4.930 1.00 0.00 C ATOM 476 CG LYS A 32 1.191 -4.000 5.788 1.00 0.00 C ATOM 477 CD LYS A 32 1.886 -4.334 7.115 1.00 0.00 C ATOM 478 CE LYS A 32 2.467 -3.098 7.823 1.00 0.00 C ATOM 479 NZ LYS A 32 1.467 -2.076 8.187 1.00 0.00 N ATOM 0 H LYS A 32 -0.621 -4.693 3.073 1.00 0.00 H new ATOM 0 HA LYS A 32 2.108 -4.196 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.053 -5.565 4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.574 -6.085 5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.785 -3.272 5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.224 -3.538 5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.172 -4.823 7.778 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.688 -5.048 6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.983 -3.422 8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.215 -2.642 7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.941 -1.279 8.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.990 -1.736 7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.765 -2.492 8.832 1.00 0.00 H new ATOM 493 N GLN A 33 1.337 -7.310 2.614 1.00 0.00 N ATOM 494 CA GLN A 33 1.830 -8.552 2.068 1.00 0.00 C ATOM 495 C GLN A 33 2.557 -8.252 0.762 1.00 0.00 C ATOM 496 O GLN A 33 3.628 -8.812 0.539 1.00 0.00 O ATOM 497 CB GLN A 33 0.645 -9.524 1.879 1.00 0.00 C ATOM 498 CG GLN A 33 1.011 -10.882 1.266 1.00 0.00 C ATOM 499 CD GLN A 33 1.743 -11.777 2.259 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.165 -12.635 2.920 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.037 -11.582 2.403 1.00 0.00 N ATOM 0 H GLN A 33 0.327 -7.304 2.755 1.00 0.00 H new ATOM 0 HA GLN A 33 2.539 -9.032 2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.176 -9.694 2.848 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.101 -9.045 1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.104 -11.383 0.926 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.637 -10.726 0.388 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.510 -10.867 1.850 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.567 -12.146 3.068 1.00 0.00 H new ATOM 510 N TYR A 34 2.005 -7.363 -0.068 1.00 0.00 N ATOM 511 CA TYR A 34 2.598 -7.016 -1.354 1.00 0.00 C ATOM 512 C TYR A 34 3.918 -6.270 -1.176 1.00 0.00 C ATOM 513 O TYR A 34 4.902 -6.565 -1.846 1.00 0.00 O ATOM 514 CB TYR A 34 1.603 -6.186 -2.170 1.00 0.00 C ATOM 515 CG TYR A 34 1.857 -6.211 -3.662 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.406 -7.307 -4.424 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.495 -5.130 -4.298 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.558 -7.314 -5.821 1.00 0.00 C ATOM 519 CE2 TYR A 34 2.627 -5.118 -5.698 1.00 0.00 C ATOM 520 CZ TYR A 34 2.152 -6.206 -6.466 1.00 0.00 C ATOM 521 OH TYR A 34 2.247 -6.173 -7.825 1.00 0.00 O ATOM 0 H TYR A 34 1.137 -6.867 0.135 1.00 0.00 H new ATOM 0 HA TYR A 34 2.821 -7.936 -1.895 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.595 -6.554 -1.977 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.637 -5.153 -1.823 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.940 -8.148 -3.931 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.883 -4.310 -3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.222 -8.162 -6.399 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.092 -4.276 -6.188 1.00 0.00 H new ATOM 0 HH TYR A 34 2.681 -5.339 -8.102 1.00 0.00 H new ATOM 531 N ALA A 35 3.968 -5.289 -0.280 1.00 0.00 N ATOM 532 CA ALA A 35 5.172 -4.518 -0.024 1.00 0.00 C ATOM 533 C ALA A 35 6.267 -5.442 0.489 1.00 0.00 C ATOM 534 O ALA A 35 7.370 -5.422 -0.051 1.00 0.00 O ATOM 535 CB ALA A 35 4.858 -3.418 0.971 1.00 0.00 C ATOM 0 H ALA A 35 3.170 -5.008 0.289 1.00 0.00 H new ATOM 0 HA ALA A 35 5.528 -4.054 -0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.759 -2.836 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.087 -2.766 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.502 -3.860 1.902 1.00 0.00 H new ATOM 541 N ASN A 36 5.951 -6.303 1.459 1.00 0.00 N ATOM 542 CA ASN A 36 6.904 -7.254 2.023 1.00 0.00 C ATOM 543 C ASN A 36 7.392 -8.204 0.928 1.00 0.00 C ATOM 544 O ASN A 36 8.518 -8.680 0.997 1.00 0.00 O ATOM 545 CB ASN A 36 6.288 -8.000 3.231 1.00 0.00 C ATOM 546 CG ASN A 36 6.308 -9.520 3.139 1.00 0.00 C ATOM 547 OD1 ASN A 36 6.931 -10.212 3.941 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.557 -10.089 2.212 1.00 0.00 N ATOM 0 H ASN A 36 5.022 -6.358 1.875 1.00 0.00 H new ATOM 0 HA ASN A 36 7.773 -6.718 2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.822 -7.700 4.132 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.255 -7.674 3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.493 -11.106 2.161 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.041 -9.511 1.548 1.00 0.00 H new ATOM 555 N ASP A 37 6.546 -8.501 -0.068 1.00 0.00 N ATOM 556 CA ASP A 37 6.900 -9.390 -1.171 1.00 0.00 C ATOM 557 C ASP A 37 8.023 -8.760 -1.986 1.00 0.00 C ATOM 558 O ASP A 37 8.873 -9.456 -2.531 1.00 0.00 O ATOM 559 CB ASP A 37 5.685 -9.680 -2.055 1.00 0.00 C ATOM 560 CG ASP A 37 5.923 -10.898 -2.941 1.00 0.00 C ATOM 561 OD1 ASP A 37 5.867 -12.029 -2.407 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.125 -10.713 -4.165 1.00 0.00 O ATOM 0 H ASP A 37 5.598 -8.129 -0.127 1.00 0.00 H new ATOM 0 HA ASP A 37 7.242 -10.341 -0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.809 -9.849 -1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.470 -8.811 -2.677 1.00 0.00 H new ATOM 567 N ASN A 38 8.037 -7.429 -2.078 1.00 0.00 N ATOM 568 CA ASN A 38 9.050 -6.639 -2.777 1.00 0.00 C ATOM 569 C ASN A 38 10.187 -6.242 -1.816 1.00 0.00 C ATOM 570 O ASN A 38 11.186 -5.667 -2.251 1.00 0.00 O ATOM 571 CB ASN A 38 8.432 -5.359 -3.357 1.00 0.00 C ATOM 572 CG ASN A 38 7.441 -5.605 -4.475 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.816 -5.658 -5.640 1.00 0.00 O ATOM 574 ND2 ASN A 38 6.169 -5.745 -4.149 1.00 0.00 N ATOM 0 H ASN A 38 7.314 -6.850 -1.651 1.00 0.00 H new ATOM 0 HA ASN A 38 9.448 -7.254 -3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.933 -4.814 -2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.231 -4.718 -3.729 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.471 -5.902 -4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.885 -5.696 -3.171 1.00 0.00 H new ATOM 581 N GLY A 39 10.063 -6.536 -0.519 1.00 0.00 N ATOM 582 CA GLY A 39 11.030 -6.218 0.525 1.00 0.00 C ATOM 583 C GLY A 39 10.927 -4.776 1.013 1.00 0.00 C ATOM 584 O GLY A 39 11.926 -4.214 1.461 1.00 0.00 O ATOM 0 H GLY A 39 9.245 -7.025 -0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.881 -6.893 1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.037 -6.397 0.147 1.00 0.00 H new ATOM 588 N VAL A 40 9.744 -4.166 0.932 1.00 0.00 N ATOM 589 CA VAL A 40 9.492 -2.799 1.345 1.00 0.00 C ATOM 590 C VAL A 40 8.807 -2.826 2.698 1.00 0.00 C ATOM 591 O VAL A 40 7.737 -3.418 2.867 1.00 0.00 O ATOM 592 CB VAL A 40 8.643 -2.043 0.302 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.455 -0.562 0.663 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.185 -2.149 -1.130 1.00 0.00 C ATOM 0 H VAL A 40 8.914 -4.631 0.565 1.00 0.00 H new ATOM 0 HA VAL A 40 10.437 -2.262 1.424 1.00 0.00 H new ATOM 0 HB VAL A 40 7.676 -2.545 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.851 -0.075 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.952 -0.483 1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.429 -0.075 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.536 -1.593 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.192 -1.734 -1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.212 -3.196 -1.432 1.00 0.00 H new ATOM 604 N ASP A 41 9.440 -2.189 3.675 1.00 0.00 N ATOM 605 CA ASP A 41 8.917 -2.085 5.021 1.00 0.00 C ATOM 606 C ASP A 41 9.417 -0.782 5.608 1.00 0.00 C ATOM 607 O ASP A 41 10.583 -0.658 5.991 1.00 0.00 O ATOM 608 CB ASP A 41 9.305 -3.268 5.892 1.00 0.00 C ATOM 609 CG ASP A 41 8.782 -3.040 7.314 1.00 0.00 C ATOM 610 OD1 ASP A 41 7.583 -2.716 7.475 1.00 0.00 O ATOM 611 OD2 ASP A 41 9.561 -3.179 8.280 1.00 0.00 O ATOM 0 H ASP A 41 10.340 -1.727 3.548 1.00 0.00 H new ATOM 0 HA ASP A 41 7.828 -2.097 4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.889 -4.188 5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.389 -3.386 5.905 1.00 0.00 H new ATOM 616 N GLY A 42 8.531 0.203 5.613 1.00 0.00 N ATOM 617 CA GLY A 42 8.773 1.534 6.114 1.00 0.00 C ATOM 618 C GLY A 42 7.606 2.055 6.919 1.00 0.00 C ATOM 619 O GLY A 42 6.872 1.287 7.540 1.00 0.00 O ATOM 0 H GLY A 42 7.585 0.084 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.669 1.531 6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.966 2.207 5.278 1.00 0.00 H new ATOM 623 N GLU A 43 7.499 3.378 6.969 1.00 0.00 N ATOM 624 CA GLU A 43 6.433 4.071 7.662 1.00 0.00 C ATOM 625 C GLU A 43 5.274 4.159 6.679 1.00 0.00 C ATOM 626 O GLU A 43 5.406 4.795 5.627 1.00 0.00 O ATOM 627 CB GLU A 43 6.838 5.466 8.156 1.00 0.00 C ATOM 628 CG GLU A 43 5.673 5.978 9.020 1.00 0.00 C ATOM 629 CD GLU A 43 5.925 7.318 9.698 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.425 8.249 9.032 1.00 0.00 O ATOM 631 OE2 GLU A 43 5.420 7.474 10.838 1.00 0.00 O ATOM 0 H GLU A 43 8.166 4.005 6.519 1.00 0.00 H new ATOM 0 HA GLU A 43 6.164 3.522 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.760 5.420 8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.022 6.136 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.785 6.064 8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.452 5.234 9.786 1.00 0.00 H new ATOM 638 N TRP A 44 4.163 3.507 7.007 1.00 0.00 N ATOM 639 CA TRP A 44 2.972 3.485 6.187 1.00 0.00 C ATOM 640 C TRP A 44 2.049 4.659 6.530 1.00 0.00 C ATOM 641 O TRP A 44 1.752 4.922 7.702 1.00 0.00 O ATOM 642 CB TRP A 44 2.247 2.157 6.412 1.00 0.00 C ATOM 643 CG TRP A 44 2.972 0.931 5.940 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.033 0.342 6.539 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.692 0.114 4.771 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.410 -0.789 5.843 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.606 -0.978 4.746 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.730 0.174 3.742 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.571 -1.956 3.751 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.664 -0.831 2.764 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.582 -1.885 2.759 1.00 0.00 C ATOM 0 H TRP A 44 4.071 2.970 7.869 1.00 0.00 H new ATOM 0 HA TRP A 44 3.255 3.582 5.139 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.046 2.050 7.478 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.281 2.202 5.909 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.516 0.705 7.434 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.181 -1.401 6.108 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.037 1.001 3.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.296 -2.757 3.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.895 -0.789 2.007 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.530 -2.644 1.992 1.00 0.00 H new ATOM 662 N THR A 45 1.511 5.316 5.510 1.00 0.00 N ATOM 663 CA THR A 45 0.588 6.439 5.611 1.00 0.00 C ATOM 664 C THR A 45 -0.694 6.055 4.854 1.00 0.00 C ATOM 665 O THR A 45 -0.711 5.037 4.152 1.00 0.00 O ATOM 666 CB THR A 45 1.251 7.743 5.123 1.00 0.00 C ATOM 667 OG1 THR A 45 1.296 7.837 3.716 1.00 0.00 O ATOM 668 CG2 THR A 45 2.681 7.943 5.638 1.00 0.00 C ATOM 0 H THR A 45 1.717 5.068 4.542 1.00 0.00 H new ATOM 0 HA THR A 45 0.317 6.645 6.647 1.00 0.00 H new ATOM 0 HB THR A 45 0.609 8.521 5.537 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.723 8.680 3.458 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.079 8.881 5.252 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.674 7.973 6.728 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.308 7.117 5.301 1.00 0.00 H new ATOM 676 N TYR A 46 -1.786 6.806 5.005 1.00 0.00 N ATOM 677 CA TYR A 46 -3.056 6.527 4.344 1.00 0.00 C ATOM 678 C TYR A 46 -3.794 7.830 4.093 1.00 0.00 C ATOM 679 O TYR A 46 -3.972 8.617 5.023 1.00 0.00 O ATOM 680 CB TYR A 46 -3.926 5.618 5.224 1.00 0.00 C ATOM 681 CG TYR A 46 -5.318 5.350 4.677 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.484 4.616 3.488 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.453 5.818 5.367 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.775 4.335 3.006 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.743 5.516 4.900 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.911 4.773 3.712 1.00 0.00 C ATOM 687 OH TYR A 46 -9.145 4.436 3.250 1.00 0.00 O ATOM 0 H TYR A 46 -1.811 7.635 5.598 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.856 6.024 3.398 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.413 4.666 5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.019 6.071 6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.618 4.268 2.944 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.331 6.413 6.260 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.895 3.779 2.088 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.608 5.853 5.451 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.691 5.244 3.157 1.00 0.00 H new ATOM 697 N ASP A 47 -4.248 8.011 2.857 1.00 0.00 N ATOM 698 CA ASP A 47 -4.986 9.155 2.371 1.00 0.00 C ATOM 699 C ASP A 47 -6.344 8.633 1.937 1.00 0.00 C ATOM 700 O ASP A 47 -6.509 8.214 0.789 1.00 0.00 O ATOM 701 CB ASP A 47 -4.279 9.833 1.187 1.00 0.00 C ATOM 702 CG ASP A 47 -2.985 10.566 1.497 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.791 11.036 2.645 1.00 0.00 O ATOM 704 OD2 ASP A 47 -2.201 10.774 0.543 1.00 0.00 O ATOM 0 H ASP A 47 -4.097 7.314 2.128 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.069 9.909 3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.068 9.072 0.435 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.973 10.543 0.737 1.00 0.00 H new ATOM 709 N ASP A 48 -7.320 8.650 2.842 1.00 0.00 N ATOM 710 CA ASP A 48 -8.687 8.190 2.582 1.00 0.00 C ATOM 711 C ASP A 48 -9.314 8.953 1.421 1.00 0.00 C ATOM 712 O ASP A 48 -10.008 8.392 0.578 1.00 0.00 O ATOM 713 CB ASP A 48 -9.549 8.415 3.820 1.00 0.00 C ATOM 714 CG ASP A 48 -10.926 7.758 3.694 1.00 0.00 C ATOM 715 OD1 ASP A 48 -11.127 6.855 2.849 1.00 0.00 O ATOM 716 OD2 ASP A 48 -11.849 8.205 4.409 1.00 0.00 O ATOM 0 H ASP A 48 -7.183 8.989 3.794 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.639 7.130 2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.036 8.015 4.695 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.673 9.485 3.985 1.00 0.00 H new ATOM 721 N ALA A 49 -8.983 10.241 1.332 1.00 0.00 N ATOM 722 CA ALA A 49 -9.459 11.160 0.297 1.00 0.00 C ATOM 723 C ALA A 49 -9.263 10.598 -1.119 1.00 0.00 C ATOM 724 O ALA A 49 -10.101 10.802 -2.004 1.00 0.00 O ATOM 725 CB ALA A 49 -8.664 12.464 0.409 1.00 0.00 C ATOM 0 H ALA A 49 -8.356 10.689 2.000 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.526 11.316 0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.004 13.164 -0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.818 12.901 1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.603 12.257 0.266 1.00 0.00 H new ATOM 731 N THR A 50 -8.180 9.862 -1.332 1.00 0.00 N ATOM 732 CA THR A 50 -7.818 9.259 -2.607 1.00 0.00 C ATOM 733 C THR A 50 -7.689 7.736 -2.499 1.00 0.00 C ATOM 734 O THR A 50 -7.403 7.065 -3.489 1.00 0.00 O ATOM 735 CB THR A 50 -6.549 9.983 -3.096 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.132 9.541 -4.361 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.391 9.837 -2.112 1.00 0.00 C ATOM 0 H THR A 50 -7.505 9.662 -0.594 1.00 0.00 H new ATOM 0 HA THR A 50 -8.601 9.390 -3.354 1.00 0.00 H new ATOM 0 HB THR A 50 -6.826 11.035 -3.168 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.431 8.618 -4.500 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.518 10.363 -2.497 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.675 10.263 -1.150 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.152 8.781 -1.985 1.00 0.00 H new ATOM 745 N LYS A 51 -7.971 7.169 -1.326 1.00 0.00 N ATOM 746 CA LYS A 51 -7.869 5.751 -1.004 1.00 0.00 C ATOM 747 C LYS A 51 -6.520 5.250 -1.505 1.00 0.00 C ATOM 748 O LYS A 51 -6.437 4.392 -2.389 1.00 0.00 O ATOM 749 CB LYS A 51 -9.084 4.945 -1.485 1.00 0.00 C ATOM 750 CG LYS A 51 -10.385 5.578 -0.975 1.00 0.00 C ATOM 751 CD LYS A 51 -11.561 4.601 -1.003 1.00 0.00 C ATOM 752 CE LYS A 51 -11.729 3.834 0.314 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.132 4.722 1.428 1.00 0.00 N ATOM 0 H LYS A 51 -8.295 7.721 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.899 5.602 0.075 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.094 4.906 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.009 3.917 -1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.237 5.934 0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.625 6.449 -1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.478 5.150 -1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.417 3.890 -1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.478 3.052 0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.792 3.339 0.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.462 4.146 2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.318 5.296 1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.900 5.348 1.112 1.00 0.00 H new ATOM 767 N THR A 52 -5.459 5.860 -0.972 1.00 0.00 N ATOM 768 CA THR A 52 -4.092 5.507 -1.323 1.00 0.00 C ATOM 769 C THR A 52 -3.232 5.393 -0.054 1.00 0.00 C ATOM 770 O THR A 52 -3.420 6.174 0.879 1.00 0.00 O ATOM 771 CB THR A 52 -3.553 6.565 -2.301 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.352 6.641 -3.477 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.121 6.266 -2.733 1.00 0.00 C ATOM 0 H THR A 52 -5.529 6.611 -0.286 1.00 0.00 H new ATOM 0 HA THR A 52 -4.058 4.534 -1.813 1.00 0.00 H new ATOM 0 HB THR A 52 -3.584 7.512 -1.761 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.256 6.934 -3.240 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.780 7.038 -3.423 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.472 6.250 -1.857 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.085 5.296 -3.228 1.00 0.00 H new ATOM 781 N PHE A 53 -2.341 4.398 0.020 1.00 0.00 N ATOM 782 CA PHE A 53 -1.405 4.170 1.123 1.00 0.00 C ATOM 783 C PHE A 53 -0.008 4.425 0.561 1.00 0.00 C ATOM 784 O PHE A 53 0.234 4.128 -0.611 1.00 0.00 O ATOM 785 CB PHE A 53 -1.402 2.721 1.639 1.00 0.00 C ATOM 786 CG PHE A 53 -2.614 2.242 2.408 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.696 2.378 3.806 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.616 1.541 1.726 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.795 1.843 4.504 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.725 1.018 2.413 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.816 1.173 3.807 1.00 0.00 C ATOM 0 H PHE A 53 -2.250 3.701 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.696 4.820 1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.267 2.061 0.782 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.529 2.595 2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.915 2.894 4.344 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.536 1.400 0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.854 1.947 5.577 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.503 0.500 1.873 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.668 0.779 4.341 1.00 0.00 H new ATOM 801 N THR A 54 0.922 4.909 1.381 1.00 0.00 N ATOM 802 CA THR A 54 2.295 5.173 0.963 1.00 0.00 C ATOM 803 C THR A 54 3.218 4.581 2.024 1.00 0.00 C ATOM 804 O THR A 54 3.014 4.872 3.197 1.00 0.00 O ATOM 805 CB THR A 54 2.523 6.686 0.789 1.00 0.00 C ATOM 806 OG1 THR A 54 1.480 7.281 0.032 1.00 0.00 O ATOM 807 CG2 THR A 54 3.857 6.999 0.112 1.00 0.00 C ATOM 0 H THR A 54 0.742 5.130 2.360 1.00 0.00 H new ATOM 0 HA THR A 54 2.504 4.713 -0.003 1.00 0.00 H new ATOM 0 HB THR A 54 2.535 7.104 1.796 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.650 8.242 -0.061 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.970 8.079 0.013 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.673 6.603 0.716 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.880 6.539 -0.876 1.00 0.00 H new ATOM 815 N VAL A 55 4.176 3.726 1.659 1.00 0.00 N ATOM 816 CA VAL A 55 5.122 3.126 2.602 1.00 0.00 C ATOM 817 C VAL A 55 6.475 3.737 2.277 1.00 0.00 C ATOM 818 O VAL A 55 6.962 3.570 1.163 1.00 0.00 O ATOM 819 CB VAL A 55 5.085 1.584 2.576 1.00 0.00 C ATOM 820 CG1 VAL A 55 5.269 0.958 1.194 1.00 0.00 C ATOM 821 CG2 VAL A 55 6.125 0.982 3.530 1.00 0.00 C ATOM 0 H VAL A 55 4.318 3.429 0.694 1.00 0.00 H new ATOM 0 HA VAL A 55 4.861 3.348 3.637 1.00 0.00 H new ATOM 0 HB VAL A 55 4.074 1.341 2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.228 -0.128 1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.475 1.301 0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.235 1.254 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.072 -0.106 3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.122 1.308 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.921 1.315 4.548 1.00 0.00 H new ATOM 831 N THR A 56 7.052 4.483 3.215 1.00 0.00 N ATOM 832 CA THR A 56 8.343 5.136 3.032 1.00 0.00 C ATOM 833 C THR A 56 9.363 4.339 3.842 1.00 0.00 C ATOM 834 O THR A 56 9.343 4.425 5.074 1.00 0.00 O ATOM 835 CB THR A 56 8.261 6.593 3.492 1.00 0.00 C ATOM 836 OG1 THR A 56 6.965 7.143 3.271 1.00 0.00 O ATOM 837 CG2 THR A 56 9.306 7.455 2.790 1.00 0.00 C ATOM 0 H THR A 56 6.633 4.652 4.130 1.00 0.00 H new ATOM 0 HA THR A 56 8.640 5.155 1.983 1.00 0.00 H new ATOM 0 HB THR A 56 8.461 6.595 4.564 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.948 8.074 3.578 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.222 8.484 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.302 7.076 3.016 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.141 7.422 1.713 1.00 0.00 H new ATOM 845 N GLU A 57 10.149 3.485 3.186 1.00 0.00 N ATOM 846 CA GLU A 57 11.165 2.630 3.805 1.00 0.00 C ATOM 847 C GLU A 57 12.071 3.460 4.705 1.00 0.00 C ATOM 848 O GLU A 57 12.299 3.046 5.863 1.00 0.00 O ATOM 849 CB GLU A 57 11.918 1.770 2.770 1.00 0.00 C ATOM 850 CG GLU A 57 12.543 0.531 3.432 1.00 0.00 C ATOM 851 CD GLU A 57 13.937 0.153 2.880 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.024 -0.280 1.704 1.00 0.00 O ATOM 853 OE2 GLU A 57 14.963 0.305 3.585 1.00 0.00 O ATOM 0 H GLU A 57 10.095 3.365 2.175 1.00 0.00 H new ATOM 0 HA GLU A 57 10.668 1.902 4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.232 1.459 1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.698 2.366 2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.625 0.708 4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.870 -0.316 3.300 1.00 0.00 H new TER 860 GLU A 57