USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 505 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 47 CYS SG : rot -60:sc= -4.68! USER MOD Set 1.2: A 49 HIS : no HD1:sc= -11! C(o=-17!,f=-20!) USER MOD Set 1.3: A 71 CYS SG : rot 164:sc= -1.26 USER MOD Set 1.4: A 73 SER OG : rot -172:sc= -1.25! USER MOD Set 1.5: A 74 CYS SG : rot -46:sc= 0.0052 USER MOD Set 1.6: A 76 THR OG1 : rot 102:sc= 1.42 USER MOD Set 2.1: A 14 CYS SG : rot 40:sc= 0.62 USER MOD Set 2.2: A 17 CYS SG : rot -52:sc= -2.82! USER MOD Set 2.3: A 25 SER OG : rot 73:sc= -0.0222 USER MOD Set 2.4: A 52 HIS : no HE2:sc= -6.44! C(o=-9.2!,f=-13!) USER MOD Set 2.5: A 55 CYS SG : rot -75:sc= -0.532 USER MOD Single : A 3 THR OG1 : rot -36:sc= 0.683! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00849 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.798! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -170:sc= -0.292 USER MOD Single : A 38 SER OG : rot 52:sc= 0.0485 USER MOD Single : A 43 HIS : no HE2:sc= -3.98! C(o=-4!,f=-3.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 172:sc= -3.34! (180deg=-3.71!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -37:sc= 0.0537 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.707 X(o=-0.71,f=-0.57) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot -31:sc= 0.771 USER MOD Single : A 70 GLN : amide:sc= -2.18 K(o=-2.2,f=-8!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 3.361 -0.165 -4.507 1.00 0.00 N ATOM 37 CA THR A 3 2.547 -1.372 -4.576 1.00 0.00 C ATOM 38 C THR A 3 1.593 -1.325 -5.765 1.00 0.00 C ATOM 39 O THR A 3 0.746 -0.436 -5.856 1.00 0.00 O ATOM 40 CB THR A 3 1.732 -1.575 -3.285 1.00 0.00 C ATOM 41 OG1 THR A 3 0.370 -1.189 -3.501 1.00 0.00 O ATOM 42 CG2 THR A 3 2.320 -0.763 -2.141 1.00 0.00 C ATOM 0 HA THR A 3 3.234 -2.210 -4.698 1.00 0.00 H new ATOM 0 HB THR A 3 1.772 -2.631 -3.017 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.340 -0.419 -4.106 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.728 -0.922 -1.240 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.347 -1.079 -1.961 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.307 0.295 -2.402 1.00 0.00 H new ATOM 50 N GLU A 4 1.736 -2.286 -6.672 1.00 0.00 N ATOM 51 CA GLU A 4 0.885 -2.352 -7.854 1.00 0.00 C ATOM 52 C GLU A 4 -0.420 -3.080 -7.545 1.00 0.00 C ATOM 53 O GLU A 4 -0.437 -4.299 -7.374 1.00 0.00 O ATOM 54 CB GLU A 4 1.617 -3.058 -8.997 1.00 0.00 C ATOM 55 CG GLU A 4 0.690 -3.785 -9.957 1.00 0.00 C ATOM 56 CD GLU A 4 1.326 -4.026 -11.312 1.00 0.00 C ATOM 57 OE1 GLU A 4 0.668 -3.739 -12.334 1.00 0.00 O ATOM 58 OE2 GLU A 4 2.479 -4.501 -11.352 1.00 0.00 O ATOM 0 H GLU A 4 2.432 -3.029 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 4 0.649 -1.332 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.199 -2.323 -9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.325 -3.773 -8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.399 -4.741 -9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.222 -3.203 -10.086 1.00 0.00 H new ATOM 65 N GLU A 5 -1.511 -2.324 -7.475 1.00 0.00 N ATOM 66 CA GLU A 5 -2.820 -2.898 -7.186 1.00 0.00 C ATOM 67 C GLU A 5 -2.957 -4.284 -7.809 1.00 0.00 C ATOM 68 O GLU A 5 -2.618 -4.489 -8.975 1.00 0.00 O ATOM 69 CB GLU A 5 -3.929 -1.981 -7.706 1.00 0.00 C ATOM 70 CG GLU A 5 -5.194 -2.020 -6.866 1.00 0.00 C ATOM 71 CD GLU A 5 -6.286 -1.121 -7.414 1.00 0.00 C ATOM 72 OE1 GLU A 5 -6.276 0.087 -7.095 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.151 -1.625 -8.161 1.00 0.00 O ATOM 0 H GLU A 5 -1.515 -1.314 -7.614 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.915 -2.995 -6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.557 -0.957 -7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.174 -2.265 -8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.562 -3.045 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.958 -1.718 -5.846 1.00 0.00 H new ATOM 80 N LEU A 6 -3.454 -5.232 -7.023 1.00 0.00 N ATOM 81 CA LEU A 6 -3.636 -6.600 -7.496 1.00 0.00 C ATOM 82 C LEU A 6 -4.979 -6.759 -8.201 1.00 0.00 C ATOM 83 O LEU A 6 -6.024 -6.848 -7.557 1.00 0.00 O ATOM 84 CB LEU A 6 -3.541 -7.582 -6.327 1.00 0.00 C ATOM 85 CG LEU A 6 -2.858 -7.057 -5.064 1.00 0.00 C ATOM 86 CD1 LEU A 6 -2.812 -8.137 -3.994 1.00 0.00 C ATOM 87 CD2 LEU A 6 -1.456 -6.560 -5.383 1.00 0.00 C ATOM 0 H LEU A 6 -3.738 -5.079 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.843 -6.819 -8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.549 -7.902 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.003 -8.468 -6.665 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.440 -6.219 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.322 -7.745 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.827 -8.446 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.253 -8.995 -4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.985 -6.190 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.864 -7.379 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.513 -5.754 -6.115 1.00 0.00 H new ATOM 99 N LYS A 7 -4.944 -6.796 -9.528 1.00 0.00 N ATOM 100 CA LYS A 7 -6.157 -6.948 -10.323 1.00 0.00 C ATOM 101 C LYS A 7 -7.137 -7.899 -9.644 1.00 0.00 C ATOM 102 O LYS A 7 -8.350 -7.788 -9.820 1.00 0.00 O ATOM 103 CB LYS A 7 -5.815 -7.464 -11.722 1.00 0.00 C ATOM 104 CG LYS A 7 -5.147 -6.425 -12.607 1.00 0.00 C ATOM 105 CD LYS A 7 -5.968 -6.146 -13.855 1.00 0.00 C ATOM 106 CE LYS A 7 -6.944 -5.000 -13.635 1.00 0.00 C ATOM 107 NZ LYS A 7 -8.336 -5.377 -14.005 1.00 0.00 N ATOM 0 H LYS A 7 -4.087 -6.723 -10.077 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.629 -5.969 -10.410 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.157 -8.328 -11.631 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.729 -7.809 -12.206 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.011 -5.501 -12.046 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.155 -6.773 -12.893 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.302 -5.904 -14.683 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.517 -7.044 -14.139 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.916 -4.696 -12.589 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.632 -4.139 -14.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.970 -4.569 -13.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.368 -5.643 -15.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.644 -6.182 -13.423 1.00 0.00 H new ATOM 121 N VAL A 8 -6.602 -8.835 -8.865 1.00 0.00 N ATOM 122 CA VAL A 8 -7.429 -9.805 -8.158 1.00 0.00 C ATOM 123 C VAL A 8 -6.956 -9.985 -6.720 1.00 0.00 C ATOM 124 O VAL A 8 -5.762 -9.947 -6.423 1.00 0.00 O ATOM 125 CB VAL A 8 -7.419 -11.174 -8.865 1.00 0.00 C ATOM 126 CG1 VAL A 8 -7.273 -12.297 -7.850 1.00 0.00 C ATOM 127 CG2 VAL A 8 -8.680 -11.354 -9.694 1.00 0.00 C ATOM 0 H VAL A 8 -5.600 -8.941 -8.708 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.446 -9.413 -8.157 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.562 -11.211 -9.537 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.268 -13.256 -8.367 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.338 -12.174 -7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.109 -12.266 -7.151 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.656 -12.326 -10.186 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.554 -11.298 -9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.736 -10.568 -10.447 1.00 0.00 H new ATOM 137 N PRO A 9 -7.914 -10.187 -5.803 1.00 0.00 N ATOM 138 CA PRO A 9 -7.619 -10.377 -4.379 1.00 0.00 C ATOM 139 C PRO A 9 -6.937 -11.712 -4.102 1.00 0.00 C ATOM 140 O PRO A 9 -7.291 -12.748 -4.667 1.00 0.00 O ATOM 141 CB PRO A 9 -9.002 -10.337 -3.723 1.00 0.00 C ATOM 142 CG PRO A 9 -9.944 -10.756 -4.798 1.00 0.00 C ATOM 143 CD PRO A 9 -9.358 -10.244 -6.085 1.00 0.00 C ATOM 0 HA PRO A 9 -6.930 -9.622 -4.001 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.054 -11.010 -2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.238 -9.338 -3.357 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.051 -11.840 -4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.938 -10.341 -4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.579 -10.909 -6.920 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.756 -9.263 -6.346 1.00 0.00 H new ATOM 151 N PRO A 10 -5.934 -11.692 -3.213 1.00 0.00 N ATOM 152 CA PRO A 10 -5.181 -12.893 -2.840 1.00 0.00 C ATOM 153 C PRO A 10 -6.018 -13.871 -2.022 1.00 0.00 C ATOM 154 O PRO A 10 -5.860 -15.087 -2.138 1.00 0.00 O ATOM 155 CB PRO A 10 -4.028 -12.342 -1.998 1.00 0.00 C ATOM 156 CG PRO A 10 -4.539 -11.055 -1.451 1.00 0.00 C ATOM 157 CD PRO A 10 -5.457 -10.494 -2.500 1.00 0.00 C ATOM 0 HA PRO A 10 -4.856 -13.458 -3.714 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.757 -13.032 -1.199 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.135 -12.188 -2.603 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.070 -11.213 -0.512 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.720 -10.367 -1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.281 -9.936 -2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.933 -9.811 -3.168 1.00 0.00 H new ATOM 165 N ASP A 11 -6.907 -13.333 -1.195 1.00 0.00 N ATOM 166 CA ASP A 11 -7.770 -14.158 -0.357 1.00 0.00 C ATOM 167 C ASP A 11 -7.047 -14.582 0.917 1.00 0.00 C ATOM 168 O ASP A 11 -7.529 -15.435 1.661 1.00 0.00 O ATOM 169 CB ASP A 11 -8.234 -15.395 -1.130 1.00 0.00 C ATOM 170 CG ASP A 11 -9.692 -15.722 -0.875 1.00 0.00 C ATOM 171 OD1 ASP A 11 -10.004 -16.912 -0.658 1.00 0.00 O ATOM 172 OD2 ASP A 11 -10.522 -14.789 -0.893 1.00 0.00 O ATOM 0 H ASP A 11 -7.049 -12.329 -1.087 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.640 -13.564 -0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.082 -15.231 -2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.618 -16.249 -0.848 1.00 0.00 H new ATOM 177 N GLU A 12 -5.887 -13.979 1.162 1.00 0.00 N ATOM 178 CA GLU A 12 -5.098 -14.296 2.346 1.00 0.00 C ATOM 179 C GLU A 12 -5.807 -13.828 3.614 1.00 0.00 C ATOM 180 O GLU A 12 -6.630 -14.549 4.179 1.00 0.00 O ATOM 181 CB GLU A 12 -3.715 -13.647 2.253 1.00 0.00 C ATOM 182 CG GLU A 12 -2.701 -14.481 1.489 1.00 0.00 C ATOM 183 CD GLU A 12 -1.694 -15.154 2.402 1.00 0.00 C ATOM 184 OE1 GLU A 12 -2.119 -15.932 3.283 1.00 0.00 O ATOM 185 OE2 GLU A 12 -0.482 -14.904 2.236 1.00 0.00 O ATOM 0 H GLU A 12 -5.474 -13.269 0.557 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.981 -15.379 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.811 -12.675 1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.339 -13.467 3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.224 -15.241 0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.173 -13.844 0.779 1.00 0.00 H new ATOM 192 N ASP A 13 -5.481 -12.619 4.055 1.00 0.00 N ATOM 193 CA ASP A 13 -6.085 -12.053 5.256 1.00 0.00 C ATOM 194 C ASP A 13 -5.242 -10.905 5.800 1.00 0.00 C ATOM 195 O ASP A 13 -4.101 -11.102 6.218 1.00 0.00 O ATOM 196 CB ASP A 13 -6.252 -13.134 6.326 1.00 0.00 C ATOM 197 CG ASP A 13 -6.209 -12.567 7.732 1.00 0.00 C ATOM 198 OD1 ASP A 13 -5.698 -13.260 8.636 1.00 0.00 O ATOM 199 OD2 ASP A 13 -6.687 -11.430 7.927 1.00 0.00 O ATOM 0 H ASP A 13 -4.801 -12.011 3.599 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.067 -11.662 4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.201 -13.649 6.174 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.464 -13.878 6.213 1.00 0.00 H new ATOM 204 N CYS A 14 -5.811 -9.704 5.793 1.00 0.00 N ATOM 205 CA CYS A 14 -5.113 -8.523 6.284 1.00 0.00 C ATOM 206 C CYS A 14 -4.301 -8.851 7.534 1.00 0.00 C ATOM 207 O CYS A 14 -4.719 -9.662 8.362 1.00 0.00 O ATOM 208 CB CYS A 14 -6.111 -7.405 6.590 1.00 0.00 C ATOM 209 SG CYS A 14 -5.336 -5.806 6.989 1.00 0.00 S ATOM 0 H CYS A 14 -6.755 -9.524 5.452 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.429 -8.187 5.505 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.768 -7.274 5.730 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.738 -7.712 7.427 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.314 -5.612 6.209 1.00 0.00 H new ATOM 214 N ILE A 15 -3.141 -8.217 7.664 1.00 0.00 N ATOM 215 CA ILE A 15 -2.273 -8.441 8.812 1.00 0.00 C ATOM 216 C ILE A 15 -2.425 -7.327 9.842 1.00 0.00 C ATOM 217 O ILE A 15 -1.979 -7.455 10.982 1.00 0.00 O ATOM 218 CB ILE A 15 -0.795 -8.536 8.391 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.635 -8.145 6.920 1.00 0.00 C ATOM 220 CG2 ILE A 15 -0.265 -9.943 8.630 1.00 0.00 C ATOM 221 CD1 ILE A 15 0.780 -8.290 6.406 1.00 0.00 C ATOM 0 H ILE A 15 -2.781 -7.544 6.988 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.577 -9.388 9.257 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.215 -7.841 8.998 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.298 -8.763 6.314 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.956 -7.111 6.790 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.781 -9.994 8.327 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.349 -10.188 9.689 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.847 -10.655 8.045 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.818 -7.996 5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.445 -7.651 6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.098 -9.328 6.503 1.00 0.00 H new ATOM 233 N ILE A 16 -3.058 -6.233 9.431 1.00 0.00 N ATOM 234 CA ILE A 16 -3.271 -5.096 10.320 1.00 0.00 C ATOM 235 C ILE A 16 -4.524 -5.290 11.168 1.00 0.00 C ATOM 236 O ILE A 16 -4.440 -5.531 12.373 1.00 0.00 O ATOM 237 CB ILE A 16 -3.399 -3.781 9.529 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.050 -3.394 8.919 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.917 -2.669 10.430 1.00 0.00 C ATOM 240 CD1 ILE A 16 -2.155 -2.340 7.839 1.00 0.00 C ATOM 0 H ILE A 16 -3.432 -6.110 8.490 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.399 -5.036 10.972 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.114 -3.929 8.720 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.394 -3.029 9.709 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.580 -4.285 8.502 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.002 -1.746 9.857 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.896 -2.944 10.822 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.224 -2.519 11.258 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.161 -2.115 7.452 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.784 -2.710 7.029 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.596 -1.434 8.256 1.00 0.00 H new ATOM 252 N CYS A 17 -5.685 -5.183 10.532 1.00 0.00 N ATOM 253 CA CYS A 17 -6.957 -5.347 11.226 1.00 0.00 C ATOM 254 C CYS A 17 -7.282 -6.824 11.424 1.00 0.00 C ATOM 255 O CYS A 17 -8.348 -7.173 11.930 1.00 0.00 O ATOM 256 CB CYS A 17 -8.081 -4.665 10.444 1.00 0.00 C ATOM 257 SG CYS A 17 -8.498 -5.487 8.873 1.00 0.00 S ATOM 0 H CYS A 17 -5.772 -4.983 9.536 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.871 -4.878 12.206 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.973 -4.626 11.070 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.792 -3.635 10.237 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.418 -5.648 8.167 1.00 0.00 H new ATOM 262 N MET A 18 -6.357 -7.688 11.019 1.00 0.00 N ATOM 263 CA MET A 18 -6.545 -9.127 11.152 1.00 0.00 C ATOM 264 C MET A 18 -7.827 -9.575 10.458 1.00 0.00 C ATOM 265 O MET A 18 -8.416 -10.592 10.820 1.00 0.00 O ATOM 266 CB MET A 18 -6.585 -9.524 12.628 1.00 0.00 C ATOM 267 CG MET A 18 -5.395 -10.366 13.064 1.00 0.00 C ATOM 268 SD MET A 18 -5.775 -12.128 13.118 1.00 0.00 S ATOM 269 CE MET A 18 -4.351 -12.806 12.268 1.00 0.00 C ATOM 0 H MET A 18 -5.470 -7.416 10.596 1.00 0.00 H new ATOM 0 HA MET A 18 -5.701 -9.623 10.673 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.624 -8.621 13.238 1.00 0.00 H new ATOM 0 HB3 MET A 18 -7.503 -10.079 12.822 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.565 -10.198 12.378 1.00 0.00 H new ATOM 0 HG3 MET A 18 -5.065 -10.039 14.050 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.439 -13.891 12.220 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.304 -12.401 11.257 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.443 -12.539 12.809 1.00 0.00 H new ATOM 279 N GLU A 19 -8.254 -8.807 9.460 1.00 0.00 N ATOM 280 CA GLU A 19 -9.468 -9.126 8.718 1.00 0.00 C ATOM 281 C GLU A 19 -9.131 -9.681 7.337 1.00 0.00 C ATOM 282 O GLU A 19 -8.017 -9.511 6.840 1.00 0.00 O ATOM 283 CB GLU A 19 -10.347 -7.882 8.578 1.00 0.00 C ATOM 284 CG GLU A 19 -11.815 -8.198 8.343 1.00 0.00 C ATOM 285 CD GLU A 19 -12.395 -9.100 9.415 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.234 -8.779 10.611 1.00 0.00 O ATOM 287 OE2 GLU A 19 -13.011 -10.125 9.058 1.00 0.00 O ATOM 0 H GLU A 19 -7.778 -7.961 9.147 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.014 -9.888 9.274 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.254 -7.278 9.481 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.977 -7.277 7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.382 -7.268 8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.929 -8.676 7.370 1.00 0.00 H new ATOM 294 N LYS A 20 -10.101 -10.349 6.722 1.00 0.00 N ATOM 295 CA LYS A 20 -9.911 -10.931 5.398 1.00 0.00 C ATOM 296 C LYS A 20 -9.537 -9.857 4.381 1.00 0.00 C ATOM 297 O LYS A 20 -10.026 -8.728 4.445 1.00 0.00 O ATOM 298 CB LYS A 20 -11.182 -11.654 4.948 1.00 0.00 C ATOM 299 CG LYS A 20 -11.657 -12.714 5.927 1.00 0.00 C ATOM 300 CD LYS A 20 -10.494 -13.502 6.504 1.00 0.00 C ATOM 301 CE LYS A 20 -10.968 -14.770 7.198 1.00 0.00 C ATOM 302 NZ LYS A 20 -10.229 -15.972 6.724 1.00 0.00 N ATOM 0 H LYS A 20 -11.028 -10.501 7.120 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.094 -11.650 5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.976 -10.921 4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.001 -12.120 3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.213 -12.240 6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.344 -13.394 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.798 -13.761 5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.948 -12.880 7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.837 -14.665 8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.035 -14.905 7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.582 -16.815 7.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.374 -16.088 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.214 -15.855 6.919 1.00 0.00 H new ATOM 316 N LEU A 21 -8.669 -10.216 3.442 1.00 0.00 N ATOM 317 CA LEU A 21 -8.231 -9.283 2.408 1.00 0.00 C ATOM 318 C LEU A 21 -9.273 -9.169 1.301 1.00 0.00 C ATOM 319 O LEU A 21 -9.003 -8.614 0.235 1.00 0.00 O ATOM 320 CB LEU A 21 -6.892 -9.734 1.821 1.00 0.00 C ATOM 321 CG LEU A 21 -5.641 -9.135 2.464 1.00 0.00 C ATOM 322 CD1 LEU A 21 -4.386 -9.720 1.836 1.00 0.00 C ATOM 323 CD2 LEU A 21 -5.648 -7.619 2.334 1.00 0.00 C ATOM 0 H LEU A 21 -8.254 -11.145 3.375 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.107 -8.302 2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.831 -10.820 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.883 -9.489 0.759 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.644 -9.388 3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.506 -9.282 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.376 -10.800 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.376 -9.498 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.750 -7.210 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.670 -7.344 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.529 -7.215 2.832 1.00 0.00 H new ATOM 335 N SER A 22 -10.465 -9.697 1.559 1.00 0.00 N ATOM 336 CA SER A 22 -11.548 -9.656 0.584 1.00 0.00 C ATOM 337 C SER A 22 -12.555 -8.565 0.936 1.00 0.00 C ATOM 338 O SER A 22 -12.958 -7.776 0.081 1.00 0.00 O ATOM 339 CB SER A 22 -12.250 -11.012 0.513 1.00 0.00 C ATOM 340 OG SER A 22 -11.662 -11.939 1.408 1.00 0.00 O ATOM 0 H SER A 22 -10.705 -10.159 2.436 1.00 0.00 H new ATOM 0 HA SER A 22 -11.118 -9.427 -0.391 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.306 -10.891 0.752 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.196 -11.400 -0.504 1.00 0.00 H new ATOM 0 HG SER A 22 -12.130 -12.797 1.344 1.00 0.00 H new ATOM 346 N THR A 23 -12.959 -8.528 2.202 1.00 0.00 N ATOM 347 CA THR A 23 -13.920 -7.536 2.669 1.00 0.00 C ATOM 348 C THR A 23 -13.411 -6.120 2.425 1.00 0.00 C ATOM 349 O THR A 23 -13.655 -5.536 1.370 1.00 0.00 O ATOM 350 CB THR A 23 -14.222 -7.710 4.169 1.00 0.00 C ATOM 351 OG1 THR A 23 -14.628 -6.459 4.735 1.00 0.00 O ATOM 352 CG2 THR A 23 -13.002 -8.236 4.909 1.00 0.00 C ATOM 0 H THR A 23 -12.636 -9.174 2.922 1.00 0.00 H new ATOM 0 HA THR A 23 -14.837 -7.692 2.101 1.00 0.00 H new ATOM 0 HB THR A 23 -15.030 -8.434 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.820 -6.578 5.689 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.239 -8.351 5.967 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.714 -9.202 4.495 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.177 -7.533 4.797 1.00 0.00 H new ATOM 360 N ALA A 24 -12.703 -5.574 3.408 1.00 0.00 N ATOM 361 CA ALA A 24 -12.157 -4.227 3.299 1.00 0.00 C ATOM 362 C ALA A 24 -11.358 -3.855 4.543 1.00 0.00 C ATOM 363 O ALA A 24 -11.451 -4.521 5.575 1.00 0.00 O ATOM 364 CB ALA A 24 -13.276 -3.221 3.070 1.00 0.00 C ATOM 0 H ALA A 24 -12.494 -6.044 4.289 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.481 -4.205 2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.854 -2.219 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.803 -3.467 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.973 -3.256 3.907 1.00 0.00 H new ATOM 370 N SER A 25 -10.570 -2.789 4.438 1.00 0.00 N ATOM 371 CA SER A 25 -9.750 -2.333 5.554 1.00 0.00 C ATOM 372 C SER A 25 -10.604 -2.097 6.796 1.00 0.00 C ATOM 373 O SER A 25 -11.425 -1.182 6.835 1.00 0.00 O ATOM 374 CB SER A 25 -9.011 -1.047 5.179 1.00 0.00 C ATOM 375 OG SER A 25 -9.236 -0.030 6.139 1.00 0.00 O ATOM 0 H SER A 25 -10.482 -2.226 3.592 1.00 0.00 H new ATOM 0 HA SER A 25 -9.021 -3.112 5.778 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.942 -1.248 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.343 -0.706 4.199 1.00 0.00 H new ATOM 0 HG SER A 25 -8.736 -0.235 6.956 1.00 0.00 H new ATOM 381 N GLY A 26 -10.405 -2.932 7.811 1.00 0.00 N ATOM 382 CA GLY A 26 -11.164 -2.799 9.042 1.00 0.00 C ATOM 383 C GLY A 26 -10.947 -1.459 9.715 1.00 0.00 C ATOM 384 O GLY A 26 -11.768 -1.020 10.521 1.00 0.00 O ATOM 0 H GLY A 26 -9.732 -3.698 7.803 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.225 -2.926 8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.880 -3.597 9.728 1.00 0.00 H new ATOM 388 N TYR A 27 -9.837 -0.807 9.387 1.00 0.00 N ATOM 389 CA TYR A 27 -9.511 0.489 9.969 1.00 0.00 C ATOM 390 C TYR A 27 -10.415 1.582 9.405 1.00 0.00 C ATOM 391 O TYR A 27 -10.596 2.632 10.022 1.00 0.00 O ATOM 392 CB TYR A 27 -8.046 0.838 9.703 1.00 0.00 C ATOM 393 CG TYR A 27 -7.088 0.228 10.703 1.00 0.00 C ATOM 394 CD1 TYR A 27 -6.008 0.954 11.191 1.00 0.00 C ATOM 395 CD2 TYR A 27 -7.263 -1.074 11.158 1.00 0.00 C ATOM 396 CE1 TYR A 27 -5.131 0.401 12.104 1.00 0.00 C ATOM 397 CE2 TYR A 27 -6.390 -1.633 12.071 1.00 0.00 C ATOM 398 CZ TYR A 27 -5.326 -0.893 12.541 1.00 0.00 C ATOM 399 OH TYR A 27 -4.455 -1.448 13.450 1.00 0.00 O ATOM 0 H TYR A 27 -9.148 -1.155 8.721 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.673 0.426 11.045 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.777 0.501 8.702 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.931 1.922 9.716 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.852 1.967 10.851 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.095 -1.658 10.792 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.297 0.979 12.474 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.540 -2.646 12.415 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.735 -2.365 13.654 1.00 0.00 H new ATOM 409 N SER A 28 -10.980 1.326 8.231 1.00 0.00 N ATOM 410 CA SER A 28 -11.863 2.287 7.581 1.00 0.00 C ATOM 411 C SER A 28 -12.745 2.994 8.606 1.00 0.00 C ATOM 412 O SER A 28 -13.162 4.134 8.402 1.00 0.00 O ATOM 413 CB SER A 28 -12.737 1.587 6.539 1.00 0.00 C ATOM 414 OG SER A 28 -13.926 1.086 7.122 1.00 0.00 O ATOM 0 H SER A 28 -10.842 0.460 7.709 1.00 0.00 H new ATOM 0 HA SER A 28 -11.243 3.032 7.083 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.987 2.286 5.741 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.179 0.769 6.083 1.00 0.00 H new ATOM 0 HG SER A 28 -14.467 0.645 6.434 1.00 0.00 H new ATOM 420 N ASP A 29 -13.025 2.308 9.709 1.00 0.00 N ATOM 421 CA ASP A 29 -13.856 2.869 10.769 1.00 0.00 C ATOM 422 C ASP A 29 -13.447 4.306 11.077 1.00 0.00 C ATOM 423 O ASP A 29 -14.223 5.241 10.879 1.00 0.00 O ATOM 424 CB ASP A 29 -13.755 2.014 12.033 1.00 0.00 C ATOM 425 CG ASP A 29 -15.043 1.276 12.338 1.00 0.00 C ATOM 426 OD1 ASP A 29 -15.883 1.830 13.079 1.00 0.00 O ATOM 427 OD2 ASP A 29 -15.212 0.146 11.835 1.00 0.00 O ATOM 0 H ASP A 29 -12.689 1.363 9.893 1.00 0.00 H new ATOM 0 HA ASP A 29 -14.890 2.871 10.424 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -12.946 1.293 11.917 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -13.496 2.651 12.879 1.00 0.00 H new ATOM 432 N VAL A 30 -12.222 4.475 11.564 1.00 0.00 N ATOM 433 CA VAL A 30 -11.708 5.797 11.900 1.00 0.00 C ATOM 434 C VAL A 30 -10.640 6.242 10.908 1.00 0.00 C ATOM 435 O VAL A 30 -10.166 7.377 10.955 1.00 0.00 O ATOM 436 CB VAL A 30 -11.115 5.825 13.322 1.00 0.00 C ATOM 437 CG1 VAL A 30 -12.132 5.322 14.335 1.00 0.00 C ATOM 438 CG2 VAL A 30 -9.838 5.000 13.381 1.00 0.00 C ATOM 0 H VAL A 30 -11.567 3.712 11.735 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.552 6.485 11.852 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.867 6.856 13.574 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.695 5.349 15.333 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -13.017 5.958 14.309 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.414 4.298 14.090 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.432 5.030 14.392 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.059 3.968 13.109 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.107 5.410 12.684 1.00 0.00 H new ATOM 448 N THR A 31 -10.266 5.339 10.006 1.00 0.00 N ATOM 449 CA THR A 31 -9.254 5.636 9.001 1.00 0.00 C ATOM 450 C THR A 31 -9.843 5.589 7.596 1.00 0.00 C ATOM 451 O THR A 31 -9.470 4.742 6.784 1.00 0.00 O ATOM 452 CB THR A 31 -8.073 4.651 9.084 1.00 0.00 C ATOM 453 OG1 THR A 31 -7.902 4.203 10.432 1.00 0.00 O ATOM 454 CG2 THR A 31 -6.789 5.302 8.593 1.00 0.00 C ATOM 0 H THR A 31 -10.650 4.395 9.952 1.00 0.00 H new ATOM 0 HA THR A 31 -8.892 6.643 9.206 1.00 0.00 H new ATOM 0 HB THR A 31 -8.296 3.797 8.444 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.061 3.706 10.507 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.969 4.587 8.661 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.913 5.614 7.556 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.563 6.172 9.209 1.00 0.00 H new ATOM 517 N LEU A 36 -6.923 6.451 -0.799 1.00 0.00 N ATOM 518 CA LEU A 36 -6.875 5.014 -1.046 1.00 0.00 C ATOM 519 C LEU A 36 -8.280 4.438 -1.186 1.00 0.00 C ATOM 520 O LEU A 36 -8.750 4.185 -2.294 1.00 0.00 O ATOM 521 CB LEU A 36 -6.132 4.307 0.090 1.00 0.00 C ATOM 522 CG LEU A 36 -4.634 4.596 0.194 1.00 0.00 C ATOM 523 CD1 LEU A 36 -4.020 3.819 1.348 1.00 0.00 C ATOM 524 CD2 LEU A 36 -3.933 4.256 -1.113 1.00 0.00 C ATOM 0 HA LEU A 36 -6.340 4.848 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.602 4.586 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.267 3.232 -0.028 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.501 5.660 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.954 4.037 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.502 4.111 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.164 2.751 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.868 4.468 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.074 3.199 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.354 4.857 -1.919 1.00 0.00 H new ATOM 536 N GLY A 37 -8.946 4.236 -0.053 1.00 0.00 N ATOM 537 CA GLY A 37 -10.293 3.693 -0.071 1.00 0.00 C ATOM 538 C GLY A 37 -10.329 2.219 0.278 1.00 0.00 C ATOM 539 O GLY A 37 -10.032 1.367 -0.560 1.00 0.00 O ATOM 0 H GLY A 37 -8.578 4.438 0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.913 4.245 0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.727 3.840 -1.060 1.00 0.00 H new ATOM 543 N SER A 38 -10.690 1.915 1.521 1.00 0.00 N ATOM 544 CA SER A 38 -10.758 0.534 1.982 1.00 0.00 C ATOM 545 C SER A 38 -11.345 -0.370 0.902 1.00 0.00 C ATOM 546 O SER A 38 -12.564 -0.510 0.787 1.00 0.00 O ATOM 547 CB SER A 38 -11.600 0.440 3.255 1.00 0.00 C ATOM 548 OG SER A 38 -12.764 1.242 3.159 1.00 0.00 O ATOM 0 H SER A 38 -10.940 2.608 2.227 1.00 0.00 H new ATOM 0 HA SER A 38 -9.744 0.199 2.201 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.883 -0.598 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.006 0.758 4.112 1.00 0.00 H new ATOM 0 HG SER A 38 -13.245 1.023 2.334 1.00 0.00 H new ATOM 554 N LEU A 39 -10.470 -0.984 0.113 1.00 0.00 N ATOM 555 CA LEU A 39 -10.899 -1.876 -0.958 1.00 0.00 C ATOM 556 C LEU A 39 -9.784 -2.080 -1.977 1.00 0.00 C ATOM 557 O LEU A 39 -9.775 -3.066 -2.713 1.00 0.00 O ATOM 558 CB LEU A 39 -12.142 -1.312 -1.650 1.00 0.00 C ATOM 559 CG LEU A 39 -13.475 -1.959 -1.270 1.00 0.00 C ATOM 560 CD1 LEU A 39 -14.598 -0.935 -1.321 1.00 0.00 C ATOM 561 CD2 LEU A 39 -13.778 -3.134 -2.187 1.00 0.00 C ATOM 0 H LEU A 39 -9.459 -0.880 0.195 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.143 -2.842 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.203 -0.246 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.008 -1.409 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.398 -2.333 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.539 -1.413 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.385 -0.126 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.676 -0.531 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.730 -3.582 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.835 -2.785 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.986 -3.878 -2.099 1.00 0.00 H new ATOM 573 N ALA A 40 -8.842 -1.143 -2.012 1.00 0.00 N ATOM 574 CA ALA A 40 -7.719 -1.222 -2.938 1.00 0.00 C ATOM 575 C ALA A 40 -6.619 -2.125 -2.390 1.00 0.00 C ATOM 576 O ALA A 40 -5.837 -1.716 -1.531 1.00 0.00 O ATOM 577 CB ALA A 40 -7.171 0.169 -3.222 1.00 0.00 C ATOM 0 H ALA A 40 -8.834 -0.320 -1.409 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.078 -1.656 -3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.333 0.095 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.954 0.785 -3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.833 0.624 -2.291 1.00 0.00 H new ATOM 583 N VAL A 41 -6.564 -3.355 -2.892 1.00 0.00 N ATOM 584 CA VAL A 41 -5.560 -4.315 -2.453 1.00 0.00 C ATOM 585 C VAL A 41 -4.218 -4.054 -3.129 1.00 0.00 C ATOM 586 O VAL A 41 -4.095 -4.155 -4.349 1.00 0.00 O ATOM 587 CB VAL A 41 -5.998 -5.761 -2.750 1.00 0.00 C ATOM 588 CG1 VAL A 41 -5.134 -6.750 -1.981 1.00 0.00 C ATOM 589 CG2 VAL A 41 -7.469 -5.951 -2.411 1.00 0.00 C ATOM 0 H VAL A 41 -7.204 -3.709 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.452 -4.190 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.865 -5.951 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.459 -7.766 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.092 -6.629 -2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.232 -6.564 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.762 -6.978 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.628 -5.743 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.072 -5.268 -3.010 1.00 0.00 H new ATOM 599 N GLY A 42 -3.212 -3.719 -2.325 1.00 0.00 N ATOM 600 CA GLY A 42 -1.892 -3.449 -2.864 1.00 0.00 C ATOM 601 C GLY A 42 -0.804 -4.222 -2.144 1.00 0.00 C ATOM 602 O GLY A 42 -0.854 -4.390 -0.926 1.00 0.00 O ATOM 0 H GLY A 42 -3.288 -3.630 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.876 -3.705 -3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.684 -2.381 -2.791 1.00 0.00 H new ATOM 606 N HIS A 43 0.182 -4.695 -2.899 1.00 0.00 N ATOM 607 CA HIS A 43 1.288 -5.455 -2.327 1.00 0.00 C ATOM 608 C HIS A 43 2.621 -4.769 -2.606 1.00 0.00 C ATOM 609 O HIS A 43 2.939 -4.451 -3.752 1.00 0.00 O ATOM 610 CB HIS A 43 1.303 -6.876 -2.890 1.00 0.00 C ATOM 611 CG HIS A 43 2.532 -7.190 -3.689 1.00 0.00 C ATOM 612 ND1 HIS A 43 2.613 -6.997 -5.052 1.00 0.00 N ATOM 613 CD2 HIS A 43 3.733 -7.685 -3.308 1.00 0.00 C ATOM 614 CE1 HIS A 43 3.810 -7.360 -5.475 1.00 0.00 C ATOM 615 NE2 HIS A 43 4.509 -7.782 -4.436 1.00 0.00 N ATOM 0 H HIS A 43 0.238 -4.565 -3.909 1.00 0.00 H new ATOM 0 HA HIS A 43 1.144 -5.502 -1.248 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.224 -7.585 -2.066 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.424 -7.018 -3.519 1.00 0.00 H new ATOM 0 HD1 HIS A 43 1.865 -6.631 -5.641 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.026 -7.954 -2.304 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.158 -7.319 -6.496 1.00 0.00 H new ATOM 623 N LEU A 44 3.397 -4.544 -1.551 1.00 0.00 N ATOM 624 CA LEU A 44 4.697 -3.895 -1.682 1.00 0.00 C ATOM 625 C LEU A 44 5.639 -4.731 -2.541 1.00 0.00 C ATOM 626 O LEU A 44 5.911 -5.893 -2.235 1.00 0.00 O ATOM 627 CB LEU A 44 5.316 -3.666 -0.302 1.00 0.00 C ATOM 628 CG LEU A 44 5.430 -2.209 0.148 1.00 0.00 C ATOM 629 CD1 LEU A 44 5.787 -2.133 1.624 1.00 0.00 C ATOM 630 CD2 LEU A 44 6.462 -1.471 -0.691 1.00 0.00 C ATOM 0 H LEU A 44 3.149 -4.801 -0.596 1.00 0.00 H new ATOM 0 HA LEU A 44 4.547 -2.932 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.723 -4.208 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.313 -4.107 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 44 4.463 -1.727 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.864 -1.089 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.012 -2.625 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.742 -2.631 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.530 -0.436 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.433 -1.953 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.163 -1.495 -1.739 1.00 0.00 H new ATOM 642 N THR A 45 6.137 -4.133 -3.619 1.00 0.00 N ATOM 643 CA THR A 45 7.049 -4.822 -4.523 1.00 0.00 C ATOM 644 C THR A 45 8.472 -4.821 -3.975 1.00 0.00 C ATOM 645 O THR A 45 9.415 -5.205 -4.665 1.00 0.00 O ATOM 646 CB THR A 45 7.051 -4.175 -5.921 1.00 0.00 C ATOM 647 OG1 THR A 45 7.786 -2.947 -5.893 1.00 0.00 O ATOM 648 CG2 THR A 45 5.630 -3.911 -6.396 1.00 0.00 C ATOM 0 H THR A 45 5.924 -3.172 -3.887 1.00 0.00 H new ATOM 0 HA THR A 45 6.694 -5.849 -4.606 1.00 0.00 H new ATOM 0 HB THR A 45 7.528 -4.866 -6.616 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.783 -2.544 -6.786 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.656 -3.454 -7.385 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.082 -4.852 -6.445 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.132 -3.238 -5.698 1.00 0.00 H new ATOM 656 N LYS A 46 8.619 -4.388 -2.726 1.00 0.00 N ATOM 657 CA LYS A 46 9.926 -4.339 -2.084 1.00 0.00 C ATOM 658 C LYS A 46 10.225 -5.647 -1.358 1.00 0.00 C ATOM 659 O LYS A 46 11.367 -6.109 -1.336 1.00 0.00 O ATOM 660 CB LYS A 46 9.988 -3.171 -1.096 1.00 0.00 C ATOM 661 CG LYS A 46 10.028 -1.809 -1.767 1.00 0.00 C ATOM 662 CD LYS A 46 11.224 -0.994 -1.303 1.00 0.00 C ATOM 663 CE LYS A 46 11.238 -0.838 0.210 1.00 0.00 C ATOM 664 NZ LYS A 46 12.559 -1.206 0.793 1.00 0.00 N ATOM 0 H LYS A 46 7.849 -4.066 -2.140 1.00 0.00 H new ATOM 0 HA LYS A 46 10.678 -4.193 -2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.121 -3.217 -0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.872 -3.284 -0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.071 -1.936 -2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.109 -1.266 -1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.144 -1.479 -1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.199 -0.010 -1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.000 0.193 0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.461 -1.465 0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.528 -1.086 1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.775 -2.198 0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.297 -0.591 0.395 1.00 0.00 H new ATOM 678 N CYS A 47 9.194 -6.240 -0.767 1.00 0.00 N ATOM 679 CA CYS A 47 9.345 -7.496 -0.042 1.00 0.00 C ATOM 680 C CYS A 47 8.390 -8.555 -0.584 1.00 0.00 C ATOM 681 O CYS A 47 8.555 -9.747 -0.323 1.00 0.00 O ATOM 682 CB CYS A 47 9.091 -7.280 1.452 1.00 0.00 C ATOM 683 SG CYS A 47 7.550 -6.383 1.822 1.00 0.00 S ATOM 0 H CYS A 47 8.243 -5.871 -0.776 1.00 0.00 H new ATOM 0 HA CYS A 47 10.367 -7.848 -0.183 1.00 0.00 H new ATOM 0 HB2 CYS A 47 9.062 -8.250 1.949 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.930 -6.729 1.876 1.00 0.00 H new ATOM 0 HG CYS A 47 7.589 -5.207 1.269 1.00 0.00 H new ATOM 688 N SER A 48 7.390 -8.112 -1.339 1.00 0.00 N ATOM 689 CA SER A 48 6.406 -9.021 -1.915 1.00 0.00 C ATOM 690 C SER A 48 5.308 -9.343 -0.906 1.00 0.00 C ATOM 691 O SER A 48 4.839 -10.479 -0.823 1.00 0.00 O ATOM 692 CB SER A 48 7.083 -10.312 -2.379 1.00 0.00 C ATOM 693 OG SER A 48 6.340 -10.935 -3.411 1.00 0.00 O ATOM 0 H SER A 48 7.240 -7.129 -1.566 1.00 0.00 H new ATOM 0 HA SER A 48 5.952 -8.528 -2.775 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.090 -10.091 -2.734 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.185 -10.996 -1.536 1.00 0.00 H new ATOM 0 HG SER A 48 6.794 -11.757 -3.691 1.00 0.00 H new ATOM 699 N HIS A 49 4.902 -8.335 -0.141 1.00 0.00 N ATOM 700 CA HIS A 49 3.859 -8.509 0.864 1.00 0.00 C ATOM 701 C HIS A 49 2.577 -7.797 0.444 1.00 0.00 C ATOM 702 O HIS A 49 2.618 -6.779 -0.246 1.00 0.00 O ATOM 703 CB HIS A 49 4.331 -7.978 2.217 1.00 0.00 C ATOM 704 CG HIS A 49 5.586 -8.629 2.711 1.00 0.00 C ATOM 705 ND1 HIS A 49 5.883 -8.773 4.050 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.625 -9.175 2.036 1.00 0.00 C ATOM 707 CE1 HIS A 49 7.050 -9.380 4.177 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.520 -9.635 2.969 1.00 0.00 N ATOM 0 H HIS A 49 5.279 -7.389 -0.198 1.00 0.00 H new ATOM 0 HA HIS A 49 3.650 -9.575 0.954 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.495 -6.903 2.139 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.540 -8.127 2.952 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.730 -9.237 0.963 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.537 -9.626 5.109 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.405 -10.099 2.763 1.00 0.00 H new ATOM 716 N ALA A 50 1.438 -8.340 0.865 1.00 0.00 N ATOM 717 CA ALA A 50 0.145 -7.755 0.533 1.00 0.00 C ATOM 718 C ALA A 50 -0.645 -7.421 1.794 1.00 0.00 C ATOM 719 O ALA A 50 -0.336 -7.909 2.881 1.00 0.00 O ATOM 720 CB ALA A 50 -0.650 -8.702 -0.354 1.00 0.00 C ATOM 0 H ALA A 50 1.385 -9.183 1.436 1.00 0.00 H new ATOM 0 HA ALA A 50 0.322 -6.827 -0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.614 -8.253 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.097 -8.889 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.810 -9.644 0.171 1.00 0.00 H new ATOM 726 N PHE A 51 -1.666 -6.584 1.641 1.00 0.00 N ATOM 727 CA PHE A 51 -2.500 -6.182 2.769 1.00 0.00 C ATOM 728 C PHE A 51 -3.431 -5.038 2.376 1.00 0.00 C ATOM 729 O PHE A 51 -3.340 -4.500 1.272 1.00 0.00 O ATOM 730 CB PHE A 51 -1.626 -5.760 3.952 1.00 0.00 C ATOM 731 CG PHE A 51 -0.237 -5.349 3.554 1.00 0.00 C ATOM 732 CD1 PHE A 51 -0.009 -4.703 2.351 1.00 0.00 C ATOM 733 CD2 PHE A 51 0.841 -5.610 4.385 1.00 0.00 C ATOM 734 CE1 PHE A 51 1.268 -4.323 1.982 1.00 0.00 C ATOM 735 CE2 PHE A 51 2.119 -5.232 4.023 1.00 0.00 C ATOM 736 CZ PHE A 51 2.334 -4.589 2.819 1.00 0.00 C ATOM 0 H PHE A 51 -1.936 -6.171 0.748 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.108 -7.038 3.063 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.107 -4.931 4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.563 -6.586 4.660 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.839 -4.493 1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.680 -6.115 5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.432 -3.819 1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.950 -5.439 4.681 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.333 -4.295 2.533 1.00 0.00 H new ATOM 746 N HIS A 52 -4.327 -4.673 3.287 1.00 0.00 N ATOM 747 CA HIS A 52 -5.275 -3.593 3.037 1.00 0.00 C ATOM 748 C HIS A 52 -4.555 -2.252 2.926 1.00 0.00 C ATOM 749 O HIS A 52 -4.019 -1.740 3.909 1.00 0.00 O ATOM 750 CB HIS A 52 -6.318 -3.534 4.154 1.00 0.00 C ATOM 751 CG HIS A 52 -7.345 -4.621 4.073 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.922 -5.195 5.186 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.898 -5.238 3.003 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.785 -6.120 4.804 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.790 -6.165 3.484 1.00 0.00 N ATOM 0 H HIS A 52 -4.417 -5.109 4.205 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.777 -3.795 2.091 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.811 -3.596 5.117 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.821 -2.567 4.120 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -7.715 -4.945 6.153 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.679 -5.039 1.964 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.384 -6.735 5.460 1.00 0.00 H new ATOM 763 N LEU A 53 -4.545 -1.690 1.722 1.00 0.00 N ATOM 764 CA LEU A 53 -3.891 -0.409 1.481 1.00 0.00 C ATOM 765 C LEU A 53 -4.204 0.581 2.598 1.00 0.00 C ATOM 766 O LEU A 53 -3.303 1.056 3.292 1.00 0.00 O ATOM 767 CB LEU A 53 -4.333 0.167 0.135 1.00 0.00 C ATOM 768 CG LEU A 53 -3.543 -0.302 -1.087 1.00 0.00 C ATOM 769 CD1 LEU A 53 -4.124 0.298 -2.359 1.00 0.00 C ATOM 770 CD2 LEU A 53 -2.074 0.066 -0.946 1.00 0.00 C ATOM 0 H LEU A 53 -4.983 -2.102 0.898 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.814 -0.577 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.383 -0.084 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.269 1.254 0.189 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.620 -1.387 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.550 -0.046 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.163 -0.015 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.077 1.386 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.527 -0.276 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.977 1.148 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.663 -0.410 -0.056 1.00 0.00 H new ATOM 782 N LEU A 54 -5.485 0.886 2.770 1.00 0.00 N ATOM 783 CA LEU A 54 -5.917 1.818 3.805 1.00 0.00 C ATOM 784 C LEU A 54 -5.241 1.507 5.136 1.00 0.00 C ATOM 785 O LEU A 54 -4.452 2.304 5.645 1.00 0.00 O ATOM 786 CB LEU A 54 -7.437 1.761 3.967 1.00 0.00 C ATOM 787 CG LEU A 54 -8.055 2.819 4.883 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.183 4.064 4.924 1.00 0.00 C ATOM 789 CD2 LEU A 54 -9.463 3.168 4.421 1.00 0.00 C ATOM 0 H LEU A 54 -6.243 0.501 2.206 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.627 2.823 3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.891 1.853 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.705 0.776 4.350 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.116 2.409 5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.638 4.806 5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.194 3.803 5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.091 4.477 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.887 3.922 5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.426 3.559 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.086 2.274 4.444 1.00 0.00 H new ATOM 801 N CYS A 55 -5.552 0.342 5.694 1.00 0.00 N ATOM 802 CA CYS A 55 -4.972 -0.077 6.964 1.00 0.00 C ATOM 803 C CYS A 55 -3.498 0.308 7.043 1.00 0.00 C ATOM 804 O CYS A 55 -3.055 0.918 8.018 1.00 0.00 O ATOM 805 CB CYS A 55 -5.126 -1.589 7.145 1.00 0.00 C ATOM 806 SG CYS A 55 -6.834 -2.128 7.477 1.00 0.00 S ATOM 0 H CYS A 55 -6.203 -0.329 5.286 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.506 0.435 7.765 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.766 -2.090 6.246 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.488 -1.913 7.967 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.148 -1.843 8.706 1.00 0.00 H new ATOM 811 N LEU A 56 -2.743 -0.051 6.012 1.00 0.00 N ATOM 812 CA LEU A 56 -1.318 0.258 5.963 1.00 0.00 C ATOM 813 C LEU A 56 -1.083 1.764 6.017 1.00 0.00 C ATOM 814 O LEU A 56 -0.406 2.265 6.916 1.00 0.00 O ATOM 815 CB LEU A 56 -0.693 -0.321 4.691 1.00 0.00 C ATOM 816 CG LEU A 56 -0.956 -1.804 4.430 1.00 0.00 C ATOM 817 CD1 LEU A 56 -0.884 -2.105 2.941 1.00 0.00 C ATOM 818 CD2 LEU A 56 0.037 -2.664 5.198 1.00 0.00 C ATOM 0 H LEU A 56 -3.093 -0.556 5.198 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.845 -0.196 6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.061 0.249 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.385 -0.166 4.737 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.960 -2.043 4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.074 -3.165 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.634 -1.515 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.107 -1.851 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.165 -3.717 5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.051 -2.423 4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.063 -2.469 6.266 1.00 0.00 H new ATOM 830 N LEU A 57 -1.651 2.480 5.053 1.00 0.00 N ATOM 831 CA LEU A 57 -1.507 3.931 4.992 1.00 0.00 C ATOM 832 C LEU A 57 -1.597 4.546 6.385 1.00 0.00 C ATOM 833 O LEU A 57 -0.857 5.473 6.715 1.00 0.00 O ATOM 834 CB LEU A 57 -2.581 4.532 4.086 1.00 0.00 C ATOM 835 CG LEU A 57 -2.725 6.055 4.133 1.00 0.00 C ATOM 836 CD1 LEU A 57 -1.698 6.715 3.225 1.00 0.00 C ATOM 837 CD2 LEU A 57 -4.134 6.469 3.739 1.00 0.00 C ATOM 0 H LEU A 57 -2.215 2.080 4.303 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.524 4.157 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.366 4.239 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.541 4.088 4.350 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.543 6.388 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.815 7.798 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.695 6.444 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.848 6.377 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.218 7.555 3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.345 6.125 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.850 6.024 4.430 1.00 0.00 H new ATOM 849 N ALA A 58 -2.507 4.022 7.200 1.00 0.00 N ATOM 850 CA ALA A 58 -2.692 4.517 8.559 1.00 0.00 C ATOM 851 C ALA A 58 -1.470 4.220 9.422 1.00 0.00 C ATOM 852 O ALA A 58 -0.768 5.133 9.854 1.00 0.00 O ATOM 853 CB ALA A 58 -3.939 3.904 9.179 1.00 0.00 C ATOM 0 H ALA A 58 -3.128 3.255 6.943 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.817 5.599 8.511 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.065 4.282 10.193 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.811 4.171 8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.836 2.819 9.207 1.00 0.00 H new ATOM 859 N MET A 59 -1.223 2.938 9.668 1.00 0.00 N ATOM 860 CA MET A 59 -0.085 2.521 10.479 1.00 0.00 C ATOM 861 C MET A 59 1.231 2.899 9.805 1.00 0.00 C ATOM 862 O MET A 59 2.301 2.779 10.401 1.00 0.00 O ATOM 863 CB MET A 59 -0.131 1.013 10.725 1.00 0.00 C ATOM 864 CG MET A 59 -0.637 0.218 9.531 1.00 0.00 C ATOM 865 SD MET A 59 0.417 -1.192 9.139 1.00 0.00 S ATOM 866 CE MET A 59 1.909 -0.361 8.602 1.00 0.00 C ATOM 0 H MET A 59 -1.795 2.170 9.318 1.00 0.00 H new ATOM 0 HA MET A 59 -0.144 3.039 11.436 1.00 0.00 H new ATOM 0 HB2 MET A 59 0.868 0.665 10.986 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.772 0.812 11.583 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.648 -0.135 9.736 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.698 0.874 8.662 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.703 -1.094 8.461 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.720 0.155 7.660 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.214 0.363 9.357 1.00 0.00 H new ATOM 876 N TYR A 60 1.143 3.354 8.561 1.00 0.00 N ATOM 877 CA TYR A 60 2.326 3.747 7.805 1.00 0.00 C ATOM 878 C TYR A 60 2.968 4.994 8.406 1.00 0.00 C ATOM 879 O TYR A 60 4.126 5.306 8.125 1.00 0.00 O ATOM 880 CB TYR A 60 1.961 4.003 6.342 1.00 0.00 C ATOM 881 CG TYR A 60 2.352 5.379 5.853 1.00 0.00 C ATOM 882 CD1 TYR A 60 3.248 5.536 4.802 1.00 0.00 C ATOM 883 CD2 TYR A 60 1.825 6.523 6.440 1.00 0.00 C ATOM 884 CE1 TYR A 60 3.608 6.791 4.351 1.00 0.00 C ATOM 885 CE2 TYR A 60 2.179 7.781 5.996 1.00 0.00 C ATOM 886 CZ TYR A 60 3.070 7.911 4.952 1.00 0.00 C ATOM 887 OH TYR A 60 3.425 9.164 4.507 1.00 0.00 O ATOM 0 H TYR A 60 0.264 3.460 8.054 1.00 0.00 H new ATOM 0 HA TYR A 60 3.045 2.930 7.855 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.447 3.253 5.718 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.886 3.874 6.216 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.670 4.661 4.330 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.126 6.426 7.258 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.306 6.895 3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.760 8.659 6.464 1.00 0.00 H new ATOM 0 HH TYR A 60 2.957 9.844 5.035 1.00 0.00 H new ATOM 897 N CYS A 61 2.208 5.701 9.235 1.00 0.00 N ATOM 898 CA CYS A 61 2.702 6.913 9.878 1.00 0.00 C ATOM 899 C CYS A 61 3.884 6.604 10.789 1.00 0.00 C ATOM 900 O CYS A 61 4.549 7.510 11.289 1.00 0.00 O ATOM 901 CB CYS A 61 1.584 7.581 10.682 1.00 0.00 C ATOM 902 SG CYS A 61 2.028 9.194 11.365 1.00 0.00 S ATOM 0 H CYS A 61 1.248 5.456 9.477 1.00 0.00 H new ATOM 0 HA CYS A 61 3.038 7.596 9.098 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.710 7.698 10.041 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.294 6.920 11.499 1.00 0.00 H new ATOM 0 HG CYS A 61 3.272 9.178 11.743 1.00 0.00 H new ATOM 908 N ASN A 62 4.140 5.318 11.002 1.00 0.00 N ATOM 909 CA ASN A 62 5.242 4.888 11.855 1.00 0.00 C ATOM 910 C ASN A 62 6.474 4.547 11.022 1.00 0.00 C ATOM 911 O ASN A 62 7.544 5.122 11.215 1.00 0.00 O ATOM 912 CB ASN A 62 4.825 3.676 12.690 1.00 0.00 C ATOM 913 CG ASN A 62 5.181 3.833 14.156 1.00 0.00 C ATOM 914 OD1 ASN A 62 6.173 3.279 14.629 1.00 0.00 O ATOM 915 ND2 ASN A 62 4.369 4.593 14.883 1.00 0.00 N ATOM 0 H ASN A 62 3.599 4.555 10.596 1.00 0.00 H new ATOM 0 HA ASN A 62 5.494 5.711 12.523 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.750 3.525 12.594 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.309 2.783 12.295 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.557 4.736 15.875 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.558 5.033 14.449 1.00 0.00 H new ATOM 922 N GLY A 63 6.314 3.608 10.095 1.00 0.00 N ATOM 923 CA GLY A 63 7.421 3.206 9.247 1.00 0.00 C ATOM 924 C GLY A 63 7.147 3.461 7.777 1.00 0.00 C ATOM 925 O GLY A 63 6.080 3.954 7.415 1.00 0.00 O ATOM 0 H GLY A 63 5.437 3.118 9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.319 3.747 9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.624 2.146 9.397 1.00 0.00 H new ATOM 929 N ASN A 64 8.115 3.127 6.931 1.00 0.00 N ATOM 930 CA ASN A 64 7.973 3.325 5.492 1.00 0.00 C ATOM 931 C ASN A 64 7.161 4.581 5.193 1.00 0.00 C ATOM 932 O ASN A 64 6.260 4.566 4.355 1.00 0.00 O ATOM 933 CB ASN A 64 7.304 2.106 4.852 1.00 0.00 C ATOM 934 CG ASN A 64 7.817 1.835 3.450 1.00 0.00 C ATOM 935 OD1 ASN A 64 8.146 2.760 2.708 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.886 0.561 3.083 1.00 0.00 N ATOM 0 H ASN A 64 9.005 2.719 7.215 1.00 0.00 H new ATOM 0 HA ASN A 64 8.969 3.449 5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.479 1.229 5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.226 2.263 4.818 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.223 0.316 2.152 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.602 -0.173 3.732 1.00 0.00 H new ATOM 943 N LYS A 65 7.486 5.668 5.885 1.00 0.00 N ATOM 944 CA LYS A 65 6.790 6.934 5.693 1.00 0.00 C ATOM 945 C LYS A 65 7.288 7.645 4.438 1.00 0.00 C ATOM 946 O LYS A 65 7.933 8.690 4.521 1.00 0.00 O ATOM 947 CB LYS A 65 6.984 7.837 6.915 1.00 0.00 C ATOM 948 CG LYS A 65 5.746 8.635 7.283 1.00 0.00 C ATOM 949 CD LYS A 65 5.636 8.829 8.786 1.00 0.00 C ATOM 950 CE LYS A 65 5.104 10.213 9.132 1.00 0.00 C ATOM 951 NZ LYS A 65 6.201 11.157 9.479 1.00 0.00 N ATOM 0 H LYS A 65 8.228 5.697 6.584 1.00 0.00 H new ATOM 0 HA LYS A 65 5.728 6.721 5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.277 7.224 7.767 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.806 8.526 6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.779 9.607 6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.858 8.121 6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.976 8.069 9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.615 8.689 9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.539 10.607 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.411 10.137 9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.798 12.088 9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.724 10.794 10.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.848 11.250 8.670 1.00 0.00 H new ATOM 965 N ASP A 66 6.983 7.071 3.279 1.00 0.00 N ATOM 966 CA ASP A 66 7.397 7.652 2.008 1.00 0.00 C ATOM 967 C ASP A 66 6.187 8.092 1.191 1.00 0.00 C ATOM 968 O ASP A 66 6.211 8.065 -0.039 1.00 0.00 O ATOM 969 CB ASP A 66 8.227 6.645 1.209 1.00 0.00 C ATOM 970 CG ASP A 66 9.714 6.934 1.281 1.00 0.00 C ATOM 971 OD1 ASP A 66 10.453 6.107 1.853 1.00 0.00 O ATOM 972 OD2 ASP A 66 10.138 7.988 0.762 1.00 0.00 O ATOM 0 H ASP A 66 6.451 6.205 3.194 1.00 0.00 H new ATOM 0 HA ASP A 66 8.008 8.529 2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.036 5.640 1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.907 6.660 0.167 1.00 0.00 H new ATOM 977 N GLY A 67 5.127 8.498 1.885 1.00 0.00 N ATOM 978 CA GLY A 67 3.921 8.937 1.207 1.00 0.00 C ATOM 979 C GLY A 67 3.268 7.827 0.409 1.00 0.00 C ATOM 980 O GLY A 67 3.049 7.964 -0.795 1.00 0.00 O ATOM 0 H GLY A 67 5.082 8.531 2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.212 9.317 1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.163 9.765 0.541 1.00 0.00 H new ATOM 984 N SER A 68 2.956 6.722 1.080 1.00 0.00 N ATOM 985 CA SER A 68 2.328 5.581 0.424 1.00 0.00 C ATOM 986 C SER A 68 1.731 4.625 1.452 1.00 0.00 C ATOM 987 O SER A 68 0.511 4.549 1.611 1.00 0.00 O ATOM 988 CB SER A 68 3.347 4.842 -0.446 1.00 0.00 C ATOM 989 OG SER A 68 4.006 5.733 -1.329 1.00 0.00 O ATOM 0 H SER A 68 3.128 6.593 2.077 1.00 0.00 H new ATOM 0 HA SER A 68 1.523 5.954 -0.209 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.081 4.346 0.190 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.844 4.063 -1.019 1.00 0.00 H new ATOM 0 HG SER A 68 3.400 6.466 -1.567 1.00 0.00 H new ATOM 995 N LEU A 69 2.597 3.896 2.146 1.00 0.00 N ATOM 996 CA LEU A 69 2.157 2.943 3.159 1.00 0.00 C ATOM 997 C LEU A 69 3.350 2.244 3.804 1.00 0.00 C ATOM 998 O LEU A 69 4.501 2.533 3.477 1.00 0.00 O ATOM 999 CB LEU A 69 1.218 1.907 2.539 1.00 0.00 C ATOM 1000 CG LEU A 69 1.769 1.135 1.340 1.00 0.00 C ATOM 1001 CD1 LEU A 69 2.004 2.071 0.164 1.00 0.00 C ATOM 1002 CD2 LEU A 69 3.056 0.414 1.715 1.00 0.00 C ATOM 0 H LEU A 69 3.609 3.946 2.026 1.00 0.00 H new ATOM 0 HA LEU A 69 1.621 3.494 3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.940 1.190 3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.303 2.413 2.231 1.00 0.00 H new ATOM 0 HG LEU A 69 1.031 0.389 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.396 1.504 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.063 2.541 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.722 2.840 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.434 -0.130 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.800 1.142 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.857 -0.287 2.526 1.00 0.00 H new ATOM 1014 N GLN A 70 3.065 1.325 4.721 1.00 0.00 N ATOM 1015 CA GLN A 70 4.115 0.585 5.411 1.00 0.00 C ATOM 1016 C GLN A 70 3.752 -0.892 5.530 1.00 0.00 C ATOM 1017 O GLN A 70 2.575 -1.255 5.527 1.00 0.00 O ATOM 1018 CB GLN A 70 4.357 1.177 6.801 1.00 0.00 C ATOM 1019 CG GLN A 70 5.558 0.578 7.517 1.00 0.00 C ATOM 1020 CD GLN A 70 5.485 0.749 9.021 1.00 0.00 C ATOM 1021 OE1 GLN A 70 4.741 1.589 9.526 1.00 0.00 O ATOM 1022 NE2 GLN A 70 6.260 -0.049 9.745 1.00 0.00 N ATOM 0 H GLN A 70 2.117 1.075 5.003 1.00 0.00 H new ATOM 0 HA GLN A 70 5.030 0.669 4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.499 2.254 6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.467 1.025 7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.626 -0.483 7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.469 1.047 7.146 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.862 -0.731 9.284 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.254 0.020 10.763 1.00 0.00 H new ATOM 1031 N CYS A 71 4.770 -1.740 5.633 1.00 0.00 N ATOM 1032 CA CYS A 71 4.559 -3.177 5.752 1.00 0.00 C ATOM 1033 C CYS A 71 4.686 -3.627 7.205 1.00 0.00 C ATOM 1034 O CYS A 71 5.784 -3.803 7.732 1.00 0.00 O ATOM 1035 CB CYS A 71 5.564 -3.936 4.882 1.00 0.00 C ATOM 1036 SG CYS A 71 5.500 -5.745 5.078 1.00 0.00 S ATOM 0 H CYS A 71 5.750 -1.456 5.636 1.00 0.00 H new ATOM 0 HA CYS A 71 3.549 -3.400 5.407 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.383 -3.688 3.836 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.570 -3.591 5.122 1.00 0.00 H new ATOM 0 HG CYS A 71 6.112 -6.311 4.081 1.00 0.00 H new ATOM 1041 N PRO A 72 3.535 -3.818 7.867 1.00 0.00 N ATOM 1042 CA PRO A 72 3.490 -4.251 9.268 1.00 0.00 C ATOM 1043 C PRO A 72 3.945 -5.696 9.442 1.00 0.00 C ATOM 1044 O PRO A 72 3.962 -6.221 10.556 1.00 0.00 O ATOM 1045 CB PRO A 72 2.012 -4.107 9.636 1.00 0.00 C ATOM 1046 CG PRO A 72 1.285 -4.228 8.342 1.00 0.00 C ATOM 1047 CD PRO A 72 2.189 -3.627 7.302 1.00 0.00 C ATOM 0 HA PRO A 72 4.159 -3.665 9.898 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.702 -4.881 10.338 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.815 -3.147 10.113 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.066 -5.271 8.113 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.331 -3.703 8.380 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.083 -4.128 6.340 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.968 -2.572 7.139 1.00 0.00 H new ATOM 1055 N SER A 73 4.313 -6.334 8.336 1.00 0.00 N ATOM 1056 CA SER A 73 4.765 -7.720 8.367 1.00 0.00 C ATOM 1057 C SER A 73 6.253 -7.799 8.691 1.00 0.00 C ATOM 1058 O SER A 73 6.649 -8.354 9.716 1.00 0.00 O ATOM 1059 CB SER A 73 4.486 -8.400 7.025 1.00 0.00 C ATOM 1060 OG SER A 73 5.625 -9.102 6.563 1.00 0.00 O ATOM 0 H SER A 73 4.307 -5.913 7.407 1.00 0.00 H new ATOM 0 HA SER A 73 4.213 -8.239 9.150 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.648 -9.089 7.130 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.193 -7.652 6.289 1.00 0.00 H new ATOM 0 HG SER A 73 5.462 -9.427 5.653 1.00 0.00 H new ATOM 1066 N CYS A 74 7.074 -7.240 7.808 1.00 0.00 N ATOM 1067 CA CYS A 74 8.521 -7.246 7.997 1.00 0.00 C ATOM 1068 C CYS A 74 9.062 -5.823 8.093 1.00 0.00 C ATOM 1069 O CYS A 74 10.257 -5.588 7.912 1.00 0.00 O ATOM 1070 CB CYS A 74 9.202 -7.986 6.845 1.00 0.00 C ATOM 1071 SG CYS A 74 9.271 -7.041 5.290 1.00 0.00 S ATOM 0 H CYS A 74 6.762 -6.777 6.954 1.00 0.00 H new ATOM 0 HA CYS A 74 8.739 -7.762 8.932 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.217 -8.246 7.145 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.673 -8.922 6.665 1.00 0.00 H new ATOM 0 HG CYS A 74 8.108 -6.510 5.053 1.00 0.00 H new ATOM 1076 N LYS A 75 8.175 -4.876 8.380 1.00 0.00 N ATOM 1077 CA LYS A 75 8.563 -3.476 8.502 1.00 0.00 C ATOM 1078 C LYS A 75 9.499 -3.069 7.369 1.00 0.00 C ATOM 1079 O LYS A 75 10.565 -2.500 7.604 1.00 0.00 O ATOM 1080 CB LYS A 75 9.241 -3.230 9.852 1.00 0.00 C ATOM 1081 CG LYS A 75 9.109 -1.799 10.346 1.00 0.00 C ATOM 1082 CD LYS A 75 8.277 -1.724 11.616 1.00 0.00 C ATOM 1083 CE LYS A 75 9.143 -1.861 12.858 1.00 0.00 C ATOM 1084 NZ LYS A 75 8.336 -2.201 14.063 1.00 0.00 N ATOM 0 H LYS A 75 7.182 -5.053 8.532 1.00 0.00 H new ATOM 0 HA LYS A 75 7.661 -2.868 8.439 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.810 -3.903 10.594 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.298 -3.481 9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.100 -1.385 10.533 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.649 -1.186 9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.743 -0.774 11.647 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.525 -2.513 11.607 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.894 -2.634 12.694 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.679 -0.928 13.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.963 -2.286 14.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.636 -1.451 14.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.844 -3.104 13.908 1.00 0.00 H new ATOM 1098 N THR A 76 9.093 -3.364 6.137 1.00 0.00 N ATOM 1099 CA THR A 76 9.895 -3.029 4.968 1.00 0.00 C ATOM 1100 C THR A 76 9.504 -1.667 4.405 1.00 0.00 C ATOM 1101 O THR A 76 9.472 -0.692 5.155 1.00 0.00 O ATOM 1102 CB THR A 76 9.748 -4.091 3.862 1.00 0.00 C ATOM 1103 OG1 THR A 76 10.899 -4.942 3.843 1.00 0.00 O ATOM 1104 CG2 THR A 76 9.573 -3.434 2.501 1.00 0.00 C ATOM 0 H THR A 76 8.213 -3.834 5.924 1.00 0.00 H new ATOM 0 HA THR A 76 10.934 -2.999 5.296 1.00 0.00 H new ATOM 0 HB THR A 76 8.861 -4.687 4.077 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.685 -5.792 4.282 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.471 -4.204 1.736 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.679 -2.811 2.510 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.444 -2.816 2.281 1.00 0.00 H new