USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 264 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 NoAdj-H: A 28 HIS HE2 : A 28 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00813 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS :FLIP no HE2:sc= -0.522 F(o=-1.7,f=-0.52) USER MOD Single : A 14 MET CE :methyl 178:sc= 0 (180deg=-0.0025) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= -0.81 (180deg=-1.4) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.759 -13.562 -11.896 1.00 0.00 N ATOM 2 CA GLY A 1 -5.792 -14.330 -12.565 1.00 0.00 C ATOM 3 C GLY A 1 -6.171 -15.582 -11.799 1.00 0.00 C ATOM 4 O GLY A 1 -7.341 -15.789 -11.476 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.535 -12.717 -12.459 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.096 -13.273 -10.956 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.904 -14.146 -11.793 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.676 -13.707 -12.697 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.447 -14.608 -13.561 1.00 0.00 H new ATOM 8 N SER A 2 -5.181 -16.420 -11.510 1.00 0.00 N ATOM 9 CA SER A 2 -5.418 -17.661 -10.782 1.00 0.00 C ATOM 10 C SER A 2 -5.937 -17.376 -9.376 1.00 0.00 C ATOM 11 O SER A 2 -5.785 -16.269 -8.859 1.00 0.00 O ATOM 12 CB SER A 2 -4.132 -18.486 -10.705 1.00 0.00 C ATOM 13 OG SER A 2 -4.416 -19.852 -10.462 1.00 0.00 O ATOM 0 H SER A 2 -4.207 -16.262 -11.769 1.00 0.00 H new ATOM 0 HA SER A 2 -6.175 -18.230 -11.322 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.577 -18.387 -11.638 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.494 -18.097 -9.911 1.00 0.00 H new ATOM 0 HG SER A 2 -3.578 -20.358 -10.419 1.00 0.00 H new ATOM 19 N SER A 3 -6.552 -18.382 -8.763 1.00 0.00 N ATOM 20 CA SER A 3 -7.099 -18.240 -7.419 1.00 0.00 C ATOM 21 C SER A 3 -7.681 -16.845 -7.214 1.00 0.00 C ATOM 22 O SER A 3 -7.492 -16.229 -6.166 1.00 0.00 O ATOM 23 CB SER A 3 -6.015 -18.511 -6.374 1.00 0.00 C ATOM 24 OG SER A 3 -4.969 -17.558 -6.465 1.00 0.00 O ATOM 0 H SER A 3 -6.684 -19.305 -9.176 1.00 0.00 H new ATOM 0 HA SER A 3 -7.900 -18.970 -7.300 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.452 -18.482 -5.376 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.611 -19.513 -6.516 1.00 0.00 H new ATOM 0 HG SER A 3 -4.290 -17.752 -5.786 1.00 0.00 H new ATOM 30 N GLY A 4 -8.391 -16.352 -8.225 1.00 0.00 N ATOM 31 CA GLY A 4 -8.990 -15.034 -8.137 1.00 0.00 C ATOM 32 C GLY A 4 -10.070 -14.817 -9.179 1.00 0.00 C ATOM 33 O GLY A 4 -10.095 -13.787 -9.852 1.00 0.00 O ATOM 0 H GLY A 4 -8.562 -16.842 -9.103 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.416 -14.897 -7.143 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.215 -14.277 -8.258 1.00 0.00 H new ATOM 37 N SER A 5 -10.964 -15.792 -9.314 1.00 0.00 N ATOM 38 CA SER A 5 -12.048 -15.705 -10.286 1.00 0.00 C ATOM 39 C SER A 5 -13.295 -15.092 -9.656 1.00 0.00 C ATOM 40 O SER A 5 -13.893 -14.170 -10.209 1.00 0.00 O ATOM 41 CB SER A 5 -12.374 -17.093 -10.843 1.00 0.00 C ATOM 42 OG SER A 5 -11.224 -17.698 -11.409 1.00 0.00 O ATOM 0 H SER A 5 -10.959 -16.650 -8.763 1.00 0.00 H new ATOM 0 HA SER A 5 -11.720 -15.061 -11.102 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.767 -17.725 -10.046 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.155 -17.011 -11.599 1.00 0.00 H new ATOM 0 HG SER A 5 -11.458 -18.584 -11.756 1.00 0.00 H new ATOM 48 N SER A 6 -13.679 -15.612 -8.494 1.00 0.00 N ATOM 49 CA SER A 6 -14.857 -15.119 -7.789 1.00 0.00 C ATOM 50 C SER A 6 -14.457 -14.188 -6.649 1.00 0.00 C ATOM 51 O SER A 6 -14.051 -14.638 -5.578 1.00 0.00 O ATOM 52 CB SER A 6 -15.678 -16.289 -7.244 1.00 0.00 C ATOM 53 OG SER A 6 -16.352 -16.970 -8.288 1.00 0.00 O ATOM 0 H SER A 6 -13.192 -16.374 -8.021 1.00 0.00 H new ATOM 0 HA SER A 6 -15.466 -14.557 -8.497 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.023 -16.983 -6.717 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.403 -15.921 -6.518 1.00 0.00 H new ATOM 0 HG SER A 6 -16.868 -17.714 -7.913 1.00 0.00 H new ATOM 59 N GLY A 7 -14.575 -12.885 -6.887 1.00 0.00 N ATOM 60 CA GLY A 7 -14.223 -11.910 -5.872 1.00 0.00 C ATOM 61 C GLY A 7 -13.252 -10.865 -6.385 1.00 0.00 C ATOM 62 O GLY A 7 -12.273 -11.191 -7.057 1.00 0.00 O ATOM 0 H GLY A 7 -14.908 -12.488 -7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.128 -11.417 -5.516 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.782 -12.423 -5.017 1.00 0.00 H new ATOM 66 N LYS A 8 -13.522 -9.603 -6.068 1.00 0.00 N ATOM 67 CA LYS A 8 -12.666 -8.505 -6.501 1.00 0.00 C ATOM 68 C LYS A 8 -11.951 -7.871 -5.312 1.00 0.00 C ATOM 69 O LYS A 8 -12.412 -6.872 -4.758 1.00 0.00 O ATOM 70 CB LYS A 8 -13.491 -7.447 -7.237 1.00 0.00 C ATOM 71 CG LYS A 8 -12.695 -6.209 -7.615 1.00 0.00 C ATOM 72 CD LYS A 8 -13.574 -4.970 -7.646 1.00 0.00 C ATOM 73 CE LYS A 8 -13.016 -3.915 -8.589 1.00 0.00 C ATOM 74 NZ LYS A 8 -11.996 -3.059 -7.923 1.00 0.00 N ATOM 0 H LYS A 8 -14.328 -9.315 -5.512 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.916 -8.909 -7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.910 -7.889 -8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.331 -7.151 -6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.885 -6.064 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.235 -6.355 -8.593 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.581 -5.245 -7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.656 -4.555 -6.641 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.571 -4.402 -9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.830 -3.290 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.640 -2.353 -8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.427 -2.574 -7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.207 -3.651 -7.594 1.00 0.00 H new ATOM 88 N THR A 9 -10.823 -8.457 -4.924 1.00 0.00 N ATOM 89 CA THR A 9 -10.045 -7.949 -3.801 1.00 0.00 C ATOM 90 C THR A 9 -8.866 -7.110 -4.283 1.00 0.00 C ATOM 91 O THR A 9 -8.188 -7.470 -5.246 1.00 0.00 O ATOM 92 CB THR A 9 -9.517 -9.096 -2.919 1.00 0.00 C ATOM 93 OG1 THR A 9 -10.608 -9.900 -2.456 1.00 0.00 O ATOM 94 CG2 THR A 9 -8.742 -8.551 -1.729 1.00 0.00 C ATOM 0 H THR A 9 -10.428 -9.284 -5.371 1.00 0.00 H new ATOM 0 HA THR A 9 -10.715 -7.324 -3.210 1.00 0.00 H new ATOM 0 HB THR A 9 -8.845 -9.708 -3.521 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.264 -10.628 -1.897 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.379 -9.380 -1.121 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.895 -7.964 -2.084 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.395 -7.919 -1.128 1.00 0.00 H new ATOM 102 N HIS A 10 -8.628 -5.990 -3.608 1.00 0.00 N ATOM 103 CA HIS A 10 -7.529 -5.101 -3.967 1.00 0.00 C ATOM 104 C HIS A 10 -6.204 -5.626 -3.423 1.00 0.00 C ATOM 105 O HIS A 10 -5.877 -5.422 -2.253 1.00 0.00 O ATOM 106 CB HIS A 10 -7.790 -3.692 -3.433 1.00 0.00 C ATOM 107 CG HIS A 10 -9.131 -3.145 -3.818 1.00 0.00 C ATOM 108 ND1 HIS A 10 -10.378 -3.618 -3.592 1.00 0.00 N flip ATOM 109 CD2 HIS A 10 -9.290 -1.971 -4.525 1.00 0.00 C flip ATOM 110 CE1 HIS A 10 -11.260 -2.731 -4.159 1.00 0.00 C flip ATOM 111 NE2 HIS A 10 -10.578 -1.746 -4.715 1.00 0.00 N flip ATOM 0 H HIS A 10 -9.181 -5.677 -2.810 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.465 -5.064 -5.055 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.710 -3.703 -2.346 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.014 -3.022 -3.803 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.619 -4.474 -3.093 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.487 -1.336 -4.869 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.336 -2.824 -4.151 1.00 0.00 H new ATOM 119 N LEU A 11 -5.446 -6.304 -4.278 1.00 0.00 N ATOM 120 CA LEU A 11 -4.157 -6.860 -3.883 1.00 0.00 C ATOM 121 C LEU A 11 -3.022 -5.898 -4.223 1.00 0.00 C ATOM 122 O LEU A 11 -3.051 -5.228 -5.256 1.00 0.00 O ATOM 123 CB LEU A 11 -3.925 -8.205 -4.574 1.00 0.00 C ATOM 124 CG LEU A 11 -2.495 -8.742 -4.535 1.00 0.00 C ATOM 125 CD1 LEU A 11 -2.078 -9.047 -3.104 1.00 0.00 C ATOM 126 CD2 LEU A 11 -2.367 -9.984 -5.405 1.00 0.00 C ATOM 0 H LEU A 11 -5.702 -6.482 -5.249 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.170 -7.011 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.582 -8.944 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.228 -8.112 -5.617 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.829 -7.975 -4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.057 -9.428 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.130 -8.136 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.748 -9.796 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.342 -10.352 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.044 -10.756 -5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.623 -9.735 -6.435 1.00 0.00 H new ATOM 138 N CYS A 12 -2.022 -5.838 -3.350 1.00 0.00 N ATOM 139 CA CYS A 12 -0.876 -4.961 -3.558 1.00 0.00 C ATOM 140 C CYS A 12 0.266 -5.711 -4.239 1.00 0.00 C ATOM 141 O CYS A 12 0.871 -6.607 -3.651 1.00 0.00 O ATOM 142 CB CYS A 12 -0.399 -4.386 -2.223 1.00 0.00 C ATOM 143 SG CYS A 12 0.688 -2.933 -2.386 1.00 0.00 S ATOM 0 H CYS A 12 -1.982 -6.387 -2.491 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.188 -4.143 -4.207 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.269 -4.111 -1.626 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.131 -5.164 -1.673 1.00 0.00 H new ATOM 148 N ASP A 13 0.554 -5.336 -5.480 1.00 0.00 N ATOM 149 CA ASP A 13 1.624 -5.972 -6.241 1.00 0.00 C ATOM 150 C ASP A 13 2.975 -5.350 -5.901 1.00 0.00 C ATOM 151 O ASP A 13 3.837 -5.204 -6.767 1.00 0.00 O ATOM 152 CB ASP A 13 1.355 -5.848 -7.741 1.00 0.00 C ATOM 153 CG ASP A 13 -0.103 -6.080 -8.089 1.00 0.00 C ATOM 154 OD1 ASP A 13 -0.948 -5.254 -7.683 1.00 0.00 O ATOM 155 OD2 ASP A 13 -0.399 -7.086 -8.766 1.00 0.00 O ATOM 0 H ASP A 13 0.062 -4.596 -5.981 1.00 0.00 H new ATOM 0 HA ASP A 13 1.651 -7.028 -5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.653 -4.856 -8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.973 -6.567 -8.279 1.00 0.00 H new ATOM 160 N MET A 14 3.151 -4.985 -4.635 1.00 0.00 N ATOM 161 CA MET A 14 4.398 -4.379 -4.182 1.00 0.00 C ATOM 162 C MET A 14 4.951 -5.118 -2.967 1.00 0.00 C ATOM 163 O MET A 14 6.165 -5.251 -2.809 1.00 0.00 O ATOM 164 CB MET A 14 4.178 -2.904 -3.840 1.00 0.00 C ATOM 165 CG MET A 14 3.931 -2.028 -5.057 1.00 0.00 C ATOM 166 SD MET A 14 4.321 -0.294 -4.755 1.00 0.00 S ATOM 167 CE MET A 14 2.741 0.474 -5.105 1.00 0.00 C ATOM 0 H MET A 14 2.447 -5.098 -3.906 1.00 0.00 H new ATOM 0 HA MET A 14 5.124 -4.452 -4.991 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.328 -2.819 -3.163 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.050 -2.530 -3.304 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.533 -2.392 -5.890 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.886 -2.115 -5.356 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.811 1.547 -4.928 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.472 0.295 -6.146 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.977 0.048 -4.454 1.00 0.00 H new ATOM 177 N CYS A 15 4.053 -5.596 -2.112 1.00 0.00 N ATOM 178 CA CYS A 15 4.451 -6.321 -0.911 1.00 0.00 C ATOM 179 C CYS A 15 3.668 -7.624 -0.778 1.00 0.00 C ATOM 180 O CYS A 15 4.174 -8.614 -0.252 1.00 0.00 O ATOM 181 CB CYS A 15 4.233 -5.453 0.330 1.00 0.00 C ATOM 182 SG CYS A 15 2.518 -4.873 0.540 1.00 0.00 S ATOM 0 H CYS A 15 3.045 -5.494 -2.229 1.00 0.00 H new ATOM 0 HA CYS A 15 5.511 -6.561 -0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.524 -6.021 1.213 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.894 -4.588 0.276 1.00 0.00 H new ATOM 187 N GLY A 16 2.428 -7.615 -1.259 1.00 0.00 N ATOM 188 CA GLY A 16 1.595 -8.801 -1.184 1.00 0.00 C ATOM 189 C GLY A 16 0.516 -8.685 -0.125 1.00 0.00 C ATOM 190 O GLY A 16 0.254 -9.637 0.611 1.00 0.00 O ATOM 0 H GLY A 16 1.986 -6.808 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.130 -8.977 -2.154 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.220 -9.667 -0.968 1.00 0.00 H new ATOM 194 N LYS A 17 -0.111 -7.516 -0.046 1.00 0.00 N ATOM 195 CA LYS A 17 -1.167 -7.279 0.930 1.00 0.00 C ATOM 196 C LYS A 17 -2.530 -7.204 0.250 1.00 0.00 C ATOM 197 O LYS A 17 -2.684 -6.558 -0.787 1.00 0.00 O ATOM 198 CB LYS A 17 -0.897 -5.983 1.698 1.00 0.00 C ATOM 199 CG LYS A 17 0.113 -6.140 2.822 1.00 0.00 C ATOM 200 CD LYS A 17 -0.083 -5.087 3.899 1.00 0.00 C ATOM 201 CE LYS A 17 0.729 -5.407 5.145 1.00 0.00 C ATOM 202 NZ LYS A 17 0.142 -4.785 6.364 1.00 0.00 N ATOM 0 H LYS A 17 0.094 -6.718 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.175 -8.115 1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.537 -5.226 1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.835 -5.614 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.018 -7.133 3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.123 -6.065 2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.210 -4.111 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.140 -5.023 4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.780 -6.488 5.277 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.751 -5.053 5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.724 -5.026 7.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.116 -3.752 6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.825 -5.142 6.505 1.00 0.00 H new ATOM 216 N LYS A 18 -3.518 -7.869 0.840 1.00 0.00 N ATOM 217 CA LYS A 18 -4.869 -7.877 0.293 1.00 0.00 C ATOM 218 C LYS A 18 -5.757 -6.872 1.022 1.00 0.00 C ATOM 219 O LYS A 18 -5.752 -6.802 2.251 1.00 0.00 O ATOM 220 CB LYS A 18 -5.476 -9.278 0.397 1.00 0.00 C ATOM 221 CG LYS A 18 -5.240 -10.135 -0.834 1.00 0.00 C ATOM 222 CD LYS A 18 -5.477 -11.608 -0.543 1.00 0.00 C ATOM 223 CE LYS A 18 -5.925 -12.357 -1.788 1.00 0.00 C ATOM 224 NZ LYS A 18 -6.650 -13.613 -1.449 1.00 0.00 N ATOM 0 H LYS A 18 -3.408 -8.410 1.698 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.810 -7.590 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.056 -9.783 1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.549 -9.188 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.903 -9.811 -1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.219 -9.993 -1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.561 -12.056 -0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.233 -11.709 0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.572 -11.714 -2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.056 -12.594 -2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.939 -14.094 -2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.025 -14.237 -0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.493 -13.385 -0.885 1.00 0.00 H new ATOM 238 N PHE A 19 -6.518 -6.098 0.256 1.00 0.00 N ATOM 239 CA PHE A 19 -7.411 -5.097 0.829 1.00 0.00 C ATOM 240 C PHE A 19 -8.829 -5.261 0.289 1.00 0.00 C ATOM 241 O PHE A 19 -9.035 -5.826 -0.785 1.00 0.00 O ATOM 242 CB PHE A 19 -6.897 -3.689 0.524 1.00 0.00 C ATOM 243 CG PHE A 19 -5.500 -3.441 1.017 1.00 0.00 C ATOM 244 CD1 PHE A 19 -4.408 -3.952 0.332 1.00 0.00 C ATOM 245 CD2 PHE A 19 -5.278 -2.698 2.165 1.00 0.00 C ATOM 246 CE1 PHE A 19 -3.122 -3.726 0.783 1.00 0.00 C ATOM 247 CE2 PHE A 19 -3.993 -2.468 2.620 1.00 0.00 C ATOM 248 CZ PHE A 19 -2.914 -2.984 1.929 1.00 0.00 C ATOM 0 H PHE A 19 -6.535 -6.144 -0.763 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.433 -5.242 1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.928 -3.525 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.568 -2.960 0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.565 -4.533 -0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.118 -2.294 2.710 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.280 -4.129 0.240 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.833 -1.885 3.515 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.910 -2.807 2.284 1.00 0.00 H new ATOM 258 N LYS A 20 -9.803 -4.763 1.042 1.00 0.00 N ATOM 259 CA LYS A 20 -11.203 -4.852 0.641 1.00 0.00 C ATOM 260 C LYS A 20 -11.743 -3.482 0.245 1.00 0.00 C ATOM 261 O LYS A 20 -12.955 -3.286 0.149 1.00 0.00 O ATOM 262 CB LYS A 20 -12.044 -5.435 1.778 1.00 0.00 C ATOM 263 CG LYS A 20 -11.975 -4.627 3.062 1.00 0.00 C ATOM 264 CD LYS A 20 -13.055 -3.558 3.107 1.00 0.00 C ATOM 265 CE LYS A 20 -13.089 -2.856 4.456 1.00 0.00 C ATOM 266 NZ LYS A 20 -12.124 -1.724 4.516 1.00 0.00 N ATOM 0 H LYS A 20 -9.649 -4.293 1.934 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.266 -5.512 -0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.083 -5.499 1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.710 -6.453 1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.085 -5.293 3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.994 -4.159 3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.877 -2.826 2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.026 -4.012 2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.096 -2.485 4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.858 -3.572 5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.177 -1.271 5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.160 -2.081 4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.360 -1.028 3.780 1.00 0.00 H new ATOM 280 N SER A 21 -10.837 -2.537 0.015 1.00 0.00 N ATOM 281 CA SER A 21 -11.224 -1.184 -0.368 1.00 0.00 C ATOM 282 C SER A 21 -10.049 -0.440 -0.994 1.00 0.00 C ATOM 283 O SER A 21 -8.942 -0.435 -0.453 1.00 0.00 O ATOM 284 CB SER A 21 -11.740 -0.414 0.849 1.00 0.00 C ATOM 285 OG SER A 21 -12.488 0.723 0.454 1.00 0.00 O ATOM 0 H SER A 21 -9.830 -2.683 0.087 1.00 0.00 H new ATOM 0 HA SER A 21 -12.021 -1.256 -1.108 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.362 -1.068 1.460 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.900 -0.103 1.469 1.00 0.00 H new ATOM 0 HG SER A 21 -12.808 1.197 1.250 1.00 0.00 H new ATOM 291 N LYS A 22 -10.296 0.190 -2.137 1.00 0.00 N ATOM 292 CA LYS A 22 -9.261 0.939 -2.839 1.00 0.00 C ATOM 293 C LYS A 22 -8.653 2.005 -1.933 1.00 0.00 C ATOM 294 O LYS A 22 -7.433 2.145 -1.854 1.00 0.00 O ATOM 295 CB LYS A 22 -9.838 1.592 -4.096 1.00 0.00 C ATOM 296 CG LYS A 22 -11.097 2.402 -3.838 1.00 0.00 C ATOM 297 CD LYS A 22 -11.791 2.783 -5.135 1.00 0.00 C ATOM 298 CE LYS A 22 -10.957 3.763 -5.946 1.00 0.00 C ATOM 299 NZ LYS A 22 -11.570 4.047 -7.273 1.00 0.00 N ATOM 0 H LYS A 22 -11.206 0.197 -2.598 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.475 0.241 -3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.082 2.242 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.059 0.816 -4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.780 1.825 -3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.843 3.304 -3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.978 1.886 -5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.762 3.226 -4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.848 4.694 -5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.955 3.357 -6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.972 4.719 -7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.651 3.163 -7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.516 4.458 -7.138 1.00 0.00 H new ATOM 313 N GLY A 23 -9.513 2.755 -1.249 1.00 0.00 N ATOM 314 CA GLY A 23 -9.041 3.798 -0.356 1.00 0.00 C ATOM 315 C GLY A 23 -8.072 3.275 0.686 1.00 0.00 C ATOM 316 O GLY A 23 -7.039 3.891 0.949 1.00 0.00 O ATOM 0 H GLY A 23 -10.527 2.659 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.555 4.579 -0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.894 4.258 0.144 1.00 0.00 H new ATOM 320 N THR A 24 -8.406 2.135 1.283 1.00 0.00 N ATOM 321 CA THR A 24 -7.560 1.531 2.304 1.00 0.00 C ATOM 322 C THR A 24 -6.210 1.122 1.728 1.00 0.00 C ATOM 323 O THR A 24 -5.165 1.370 2.331 1.00 0.00 O ATOM 324 CB THR A 24 -8.233 0.295 2.932 1.00 0.00 C ATOM 325 OG1 THR A 24 -9.508 0.655 3.476 1.00 0.00 O ATOM 326 CG2 THR A 24 -7.359 -0.300 4.026 1.00 0.00 C ATOM 0 H THR A 24 -9.257 1.612 1.077 1.00 0.00 H new ATOM 0 HA THR A 24 -7.409 2.285 3.076 1.00 0.00 H new ATOM 0 HB THR A 24 -8.370 -0.453 2.151 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.930 -0.136 3.872 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.855 -1.171 4.454 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.400 -0.600 3.603 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.195 0.444 4.806 1.00 0.00 H new ATOM 334 N LEU A 25 -6.236 0.495 0.557 1.00 0.00 N ATOM 335 CA LEU A 25 -5.013 0.052 -0.102 1.00 0.00 C ATOM 336 C LEU A 25 -4.164 1.245 -0.532 1.00 0.00 C ATOM 337 O LEU A 25 -2.939 1.224 -0.414 1.00 0.00 O ATOM 338 CB LEU A 25 -5.349 -0.813 -1.317 1.00 0.00 C ATOM 339 CG LEU A 25 -4.266 -0.910 -2.393 1.00 0.00 C ATOM 340 CD1 LEU A 25 -3.113 -1.778 -1.913 1.00 0.00 C ATOM 341 CD2 LEU A 25 -4.848 -1.460 -3.687 1.00 0.00 C ATOM 0 H LEU A 25 -7.092 0.282 0.044 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.440 -0.541 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.578 -1.820 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.256 -0.421 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.883 0.092 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.352 -1.836 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.679 -1.342 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.480 -2.780 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.064 -1.522 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.259 -2.454 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.639 -0.799 -4.040 1.00 0.00 H new ATOM 353 N LYS A 26 -4.824 2.285 -1.030 1.00 0.00 N ATOM 354 CA LYS A 26 -4.132 3.489 -1.475 1.00 0.00 C ATOM 355 C LYS A 26 -3.265 4.062 -0.359 1.00 0.00 C ATOM 356 O LYS A 26 -2.054 4.219 -0.518 1.00 0.00 O ATOM 357 CB LYS A 26 -5.142 4.540 -1.942 1.00 0.00 C ATOM 358 CG LYS A 26 -4.521 5.898 -2.220 1.00 0.00 C ATOM 359 CD LYS A 26 -5.556 6.891 -2.723 1.00 0.00 C ATOM 360 CE LYS A 26 -6.258 7.596 -1.573 1.00 0.00 C ATOM 361 NZ LYS A 26 -5.550 8.843 -1.172 1.00 0.00 N ATOM 0 H LYS A 26 -5.838 2.318 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.486 3.219 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.634 4.183 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.915 4.652 -1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.059 6.281 -1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.727 5.792 -2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.072 7.629 -3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.292 6.371 -3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.280 7.837 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.320 6.923 -0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.060 9.294 -0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.582 8.611 -0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.513 9.496 -1.980 1.00 0.00 H new ATOM 375 N SER A 27 -3.892 4.371 0.772 1.00 0.00 N ATOM 376 CA SER A 27 -3.177 4.929 1.914 1.00 0.00 C ATOM 377 C SER A 27 -1.988 4.052 2.292 1.00 0.00 C ATOM 378 O SER A 27 -0.950 4.549 2.732 1.00 0.00 O ATOM 379 CB SER A 27 -4.119 5.073 3.111 1.00 0.00 C ATOM 380 OG SER A 27 -3.568 5.932 4.093 1.00 0.00 O ATOM 0 H SER A 27 -4.893 4.244 0.922 1.00 0.00 H new ATOM 0 HA SER A 27 -2.805 5.914 1.632 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.079 5.466 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.310 4.093 3.547 1.00 0.00 H new ATOM 0 HG SER A 27 -4.190 6.009 4.847 1.00 0.00 H new ATOM 386 N HIS A 28 -2.146 2.744 2.117 1.00 0.00 N ATOM 387 CA HIS A 28 -1.085 1.796 2.439 1.00 0.00 C ATOM 388 C HIS A 28 0.051 1.887 1.424 1.00 0.00 C ATOM 389 O HIS A 28 1.226 1.899 1.792 1.00 0.00 O ATOM 390 CB HIS A 28 -1.639 0.371 2.475 1.00 0.00 C ATOM 391 CG HIS A 28 -0.617 -0.677 2.159 1.00 0.00 C ATOM 392 ND1 HIS A 28 0.294 -1.144 3.082 1.00 0.00 N ATOM 393 CD2 HIS A 28 -0.366 -1.351 1.012 1.00 0.00 C ATOM 394 CE1 HIS A 28 1.062 -2.058 2.517 1.00 0.00 C ATOM 395 NE2 HIS A 28 0.681 -2.203 1.261 1.00 0.00 N ATOM 0 H HIS A 28 -2.998 2.316 1.754 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.691 2.050 3.423 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -2.053 0.176 3.464 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.461 0.291 1.764 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.364 -0.832 4.051 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.892 -1.239 0.075 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.865 -2.595 3.000 1.00 0.00 H new ATOM 403 N LYS A 29 -0.307 1.949 0.146 1.00 0.00 N ATOM 404 CA LYS A 29 0.681 2.039 -0.922 1.00 0.00 C ATOM 405 C LYS A 29 1.616 3.224 -0.700 1.00 0.00 C ATOM 406 O LYS A 29 2.833 3.104 -0.850 1.00 0.00 O ATOM 407 CB LYS A 29 -0.015 2.173 -2.278 1.00 0.00 C ATOM 408 CG LYS A 29 -0.437 0.843 -2.879 1.00 0.00 C ATOM 409 CD LYS A 29 -0.794 0.984 -4.350 1.00 0.00 C ATOM 410 CE LYS A 29 -2.132 1.684 -4.533 1.00 0.00 C ATOM 411 NZ LYS A 29 -1.985 3.166 -4.550 1.00 0.00 N ATOM 0 H LYS A 29 -1.275 1.939 -0.175 1.00 0.00 H new ATOM 0 HA LYS A 29 1.274 1.124 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.895 2.806 -2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.655 2.680 -2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.371 0.120 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.294 0.451 -2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.014 1.547 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.832 -0.002 -4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.590 1.354 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.806 1.395 -3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.739 3.583 -5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.055 3.533 -3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.059 3.418 -4.950 1.00 0.00 H new ATOM 425 N LEU A 30 1.041 4.366 -0.340 1.00 0.00 N ATOM 426 CA LEU A 30 1.824 5.572 -0.095 1.00 0.00 C ATOM 427 C LEU A 30 3.090 5.250 0.691 1.00 0.00 C ATOM 428 O LEU A 30 4.167 5.770 0.396 1.00 0.00 O ATOM 429 CB LEU A 30 0.986 6.602 0.665 1.00 0.00 C ATOM 430 CG LEU A 30 -0.355 6.975 0.032 1.00 0.00 C ATOM 431 CD1 LEU A 30 -1.177 7.826 0.987 1.00 0.00 C ATOM 432 CD2 LEU A 30 -0.138 7.706 -1.285 1.00 0.00 C ATOM 0 H LEU A 30 0.036 4.482 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 30 2.114 5.989 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.798 6.219 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.577 7.511 0.777 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.907 6.057 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.128 8.082 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.362 7.267 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.631 8.739 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.103 7.964 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.434 8.616 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.411 7.062 -1.972 1.00 0.00 H new ATOM 444 N LEU A 31 2.955 4.387 1.692 1.00 0.00 N ATOM 445 CA LEU A 31 4.089 3.992 2.521 1.00 0.00 C ATOM 446 C LEU A 31 5.250 3.505 1.659 1.00 0.00 C ATOM 447 O LEU A 31 6.404 3.863 1.894 1.00 0.00 O ATOM 448 CB LEU A 31 3.672 2.895 3.502 1.00 0.00 C ATOM 449 CG LEU A 31 2.572 3.267 4.497 1.00 0.00 C ATOM 450 CD1 LEU A 31 1.948 2.016 5.095 1.00 0.00 C ATOM 451 CD2 LEU A 31 3.127 4.165 5.593 1.00 0.00 C ATOM 0 H LEU A 31 2.071 3.947 1.949 1.00 0.00 H new ATOM 0 HA LEU A 31 4.419 4.866 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.338 2.030 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.553 2.584 4.064 1.00 0.00 H new ATOM 0 HG LEU A 31 1.796 3.815 3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.167 2.300 5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.515 1.410 4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.714 1.440 5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.331 4.420 6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.922 3.642 6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.526 5.077 5.149 1.00 0.00 H new ATOM 463 N HIS A 32 4.935 2.688 0.658 1.00 0.00 N ATOM 464 CA HIS A 32 5.952 2.155 -0.241 1.00 0.00 C ATOM 465 C HIS A 32 6.772 3.280 -0.863 1.00 0.00 C ATOM 466 O HIS A 32 8.003 3.246 -0.851 1.00 0.00 O ATOM 467 CB HIS A 32 5.300 1.315 -1.341 1.00 0.00 C ATOM 468 CG HIS A 32 4.750 0.011 -0.852 1.00 0.00 C ATOM 469 ND1 HIS A 32 5.426 -0.809 0.027 1.00 0.00 N ATOM 470 CD2 HIS A 32 3.580 -0.614 -1.123 1.00 0.00 C ATOM 471 CE1 HIS A 32 4.697 -1.882 0.274 1.00 0.00 C ATOM 472 NE2 HIS A 32 3.571 -1.788 -0.411 1.00 0.00 N ATOM 0 H HIS A 32 3.985 2.381 0.450 1.00 0.00 H new ATOM 0 HA HIS A 32 6.621 1.522 0.342 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.495 1.891 -1.798 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.035 1.120 -2.122 1.00 0.00 H new ATOM 0 HD1 HIS A 32 6.346 -0.617 0.424 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.799 -0.256 -1.777 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.974 -2.698 0.925 1.00 0.00 H new ATOM 480 N THR A 33 6.083 4.279 -1.407 1.00 0.00 N ATOM 481 CA THR A 33 6.747 5.413 -2.035 1.00 0.00 C ATOM 482 C THR A 33 6.010 6.715 -1.739 1.00 0.00 C ATOM 483 O THR A 33 4.781 6.768 -1.787 1.00 0.00 O ATOM 484 CB THR A 33 6.849 5.230 -3.561 1.00 0.00 C ATOM 485 OG1 THR A 33 7.442 6.391 -4.155 1.00 0.00 O ATOM 486 CG2 THR A 33 5.477 4.987 -4.170 1.00 0.00 C ATOM 0 H THR A 33 5.064 4.325 -1.425 1.00 0.00 H new ATOM 0 HA THR A 33 7.751 5.463 -1.615 1.00 0.00 H new ATOM 0 HB THR A 33 7.476 4.361 -3.759 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.505 6.266 -5.125 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.575 4.861 -5.248 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.041 4.087 -3.737 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.830 5.839 -3.962 1.00 0.00 H new ATOM 494 N ALA A 34 6.768 7.763 -1.434 1.00 0.00 N ATOM 495 CA ALA A 34 6.186 9.065 -1.133 1.00 0.00 C ATOM 496 C ALA A 34 5.447 9.628 -2.342 1.00 0.00 C ATOM 497 O ALA A 34 6.067 10.097 -3.297 1.00 0.00 O ATOM 498 CB ALA A 34 7.267 10.033 -0.674 1.00 0.00 C ATOM 0 H ALA A 34 7.787 7.736 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 34 5.464 8.936 -0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.818 11.001 -0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.748 9.643 0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.010 10.149 -1.463 1.00 0.00 H new ATOM 504 N ASP A 35 4.121 9.579 -2.295 1.00 0.00 N ATOM 505 CA ASP A 35 3.297 10.086 -3.386 1.00 0.00 C ATOM 506 C ASP A 35 3.257 11.610 -3.375 1.00 0.00 C ATOM 507 O ASP A 35 3.025 12.227 -2.336 1.00 0.00 O ATOM 508 CB ASP A 35 1.878 9.524 -3.286 1.00 0.00 C ATOM 509 CG ASP A 35 1.128 9.606 -4.601 1.00 0.00 C ATOM 510 OD1 ASP A 35 1.629 9.057 -5.604 1.00 0.00 O ATOM 511 OD2 ASP A 35 0.041 10.220 -4.627 1.00 0.00 O ATOM 0 H ASP A 35 3.593 9.193 -1.512 1.00 0.00 H new ATOM 0 HA ASP A 35 3.742 9.760 -4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.924 8.484 -2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.327 10.072 -2.522 1.00 0.00 H new ATOM 516 N GLY A 36 3.485 12.213 -4.538 1.00 0.00 N ATOM 517 CA GLY A 36 3.471 13.660 -4.639 1.00 0.00 C ATOM 518 C GLY A 36 4.138 14.331 -3.454 1.00 0.00 C ATOM 519 O GLY A 36 3.751 15.443 -3.099 1.00 0.00 O ATOM 0 H GLY A 36 3.679 11.725 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.977 13.962 -5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.440 14.006 -4.715 1.00 0.00 H new TER 523 GLY A 36 HETATM 524 ZN ZN A 181 1.845 -2.959 -0.296 1.00 0.00 ZN