USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -4.75! C(o=-4.8!,f=-4.9!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 39:sc= 0.0411 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -70:sc= -0.189 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 149:sc= -0.132 (180deg=-0.846) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 169:sc= 0.126 (180deg=0.0998) USER MOD Single : A 102 MET CE :methyl -124:sc= -3.67! (180deg=-5.92!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 29 -6.952 16.775 9.496 1.00 0.00 N ATOM 2 CA LYS A 29 -8.222 16.709 8.718 1.00 0.00 C ATOM 3 C LYS A 29 -8.099 17.580 7.467 1.00 0.00 C ATOM 4 O LYS A 29 -8.596 18.688 7.419 1.00 0.00 O ATOM 5 CB LYS A 29 -9.377 17.218 9.583 1.00 0.00 C ATOM 6 CG LYS A 29 -10.700 16.676 9.037 1.00 0.00 C ATOM 7 CD LYS A 29 -11.865 17.435 9.677 1.00 0.00 C ATOM 8 CE LYS A 29 -13.189 16.846 9.186 1.00 0.00 C ATOM 9 NZ LYS A 29 -14.304 17.355 10.034 1.00 0.00 N ATOM 0 HA LYS A 29 -8.415 15.677 8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.240 16.899 10.616 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.391 18.308 9.585 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.731 16.787 7.953 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.785 15.611 9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.805 17.366 10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.808 18.493 9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.357 17.119 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.153 15.757 9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.204 16.955 9.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.145 17.073 11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.342 18.392 9.971 1.00 0.00 H new ATOM 22 N GLY A 30 -7.440 17.090 6.453 1.00 0.00 N ATOM 23 CA GLY A 30 -7.286 17.891 5.206 1.00 0.00 C ATOM 24 C GLY A 30 -6.427 17.117 4.204 1.00 0.00 C ATOM 25 O GLY A 30 -6.913 16.622 3.207 1.00 0.00 O ATOM 0 H GLY A 30 -7.001 16.169 6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.264 18.103 4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.823 18.851 5.433 1.00 0.00 H new ATOM 29 N ASP A 31 -5.152 17.010 4.460 1.00 0.00 N ATOM 30 CA ASP A 31 -4.263 16.268 3.522 1.00 0.00 C ATOM 31 C ASP A 31 -4.151 14.810 3.972 1.00 0.00 C ATOM 32 O ASP A 31 -4.227 14.505 5.145 1.00 0.00 O ATOM 33 CB ASP A 31 -2.874 16.910 3.521 1.00 0.00 C ATOM 34 CG ASP A 31 -2.379 17.052 2.080 1.00 0.00 C ATOM 35 OD1 ASP A 31 -2.079 16.036 1.475 1.00 0.00 O ATOM 36 OD2 ASP A 31 -2.307 18.175 1.608 1.00 0.00 O ATOM 0 H ASP A 31 -4.688 17.404 5.278 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.682 16.307 2.516 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.913 17.888 4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.179 16.299 4.097 1.00 0.00 H new ATOM 41 N GLY A 32 -3.970 13.907 3.047 1.00 0.00 N ATOM 42 CA GLY A 32 -3.854 12.469 3.423 1.00 0.00 C ATOM 43 C GLY A 32 -2.525 11.912 2.908 1.00 0.00 C ATOM 44 O GLY A 32 -2.045 12.295 1.860 1.00 0.00 O ATOM 0 H GLY A 32 -3.898 14.102 2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.911 12.360 4.506 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.685 11.904 3.001 1.00 0.00 H new ATOM 48 N VAL A 33 -1.927 11.011 3.638 1.00 0.00 N ATOM 49 CA VAL A 33 -0.630 10.430 3.190 1.00 0.00 C ATOM 50 C VAL A 33 -0.686 8.906 3.310 1.00 0.00 C ATOM 51 O VAL A 33 -1.183 8.367 4.279 1.00 0.00 O ATOM 52 CB VAL A 33 0.501 10.970 4.067 1.00 0.00 C ATOM 53 CG1 VAL A 33 0.471 12.499 4.055 1.00 0.00 C ATOM 54 CG2 VAL A 33 0.315 10.469 5.501 1.00 0.00 C ATOM 0 H VAL A 33 -2.280 10.652 4.525 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.447 10.706 2.152 1.00 0.00 H new ATOM 0 HB VAL A 33 1.459 10.623 3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.277 12.884 4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.601 12.857 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.486 12.847 4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.120 10.853 6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.643 10.818 5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.335 9.379 5.511 1.00 0.00 H new ATOM 64 N VAL A 34 -0.179 8.205 2.332 1.00 0.00 N ATOM 65 CA VAL A 34 -0.204 6.717 2.391 1.00 0.00 C ATOM 66 C VAL A 34 1.205 6.194 2.679 1.00 0.00 C ATOM 67 O VAL A 34 2.184 6.895 2.513 1.00 0.00 O ATOM 68 CB VAL A 34 -0.690 6.161 1.051 1.00 0.00 C ATOM 69 CG1 VAL A 34 -0.721 4.633 1.113 1.00 0.00 C ATOM 70 CG2 VAL A 34 -2.097 6.688 0.762 1.00 0.00 C ATOM 0 H VAL A 34 0.251 8.599 1.495 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.880 6.397 3.184 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.012 6.478 0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.067 4.237 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.281 4.257 1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.399 4.315 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.445 6.293 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.774 6.370 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.076 7.777 0.718 1.00 0.00 H new ATOM 80 N ARG A 35 1.316 4.968 3.111 1.00 0.00 N ATOM 81 CA ARG A 35 2.662 4.402 3.409 1.00 0.00 C ATOM 82 C ARG A 35 2.759 2.987 2.835 1.00 0.00 C ATOM 83 O ARG A 35 2.154 2.060 3.337 1.00 0.00 O ATOM 84 CB ARG A 35 2.870 4.353 4.924 1.00 0.00 C ATOM 85 CG ARG A 35 4.164 5.085 5.286 1.00 0.00 C ATOM 86 CD ARG A 35 4.516 4.807 6.749 1.00 0.00 C ATOM 87 NE ARG A 35 5.610 5.722 7.179 1.00 0.00 N ATOM 88 CZ ARG A 35 5.899 5.844 8.445 1.00 0.00 C ATOM 89 NH1 ARG A 35 5.796 4.815 9.241 1.00 0.00 N ATOM 90 NH2 ARG A 35 6.291 6.996 8.917 1.00 0.00 N ATOM 0 H ARG A 35 0.533 4.334 3.270 1.00 0.00 H new ATOM 0 HA ARG A 35 3.429 5.031 2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.024 4.815 5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.919 3.318 5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.975 4.755 4.637 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.045 6.157 5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.638 4.951 7.379 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.827 3.769 6.868 1.00 0.00 H new ATOM 0 HE ARG A 35 6.133 6.253 6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.489 3.914 8.873 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.022 4.911 10.231 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.371 7.801 8.296 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.517 7.091 9.907 1.00 0.00 H new ATOM 104 N ILE A 36 3.515 2.812 1.786 1.00 0.00 N ATOM 105 CA ILE A 36 3.649 1.457 1.181 1.00 0.00 C ATOM 106 C ILE A 36 5.102 0.990 1.295 1.00 0.00 C ATOM 107 O ILE A 36 6.020 1.686 0.911 1.00 0.00 O ATOM 108 CB ILE A 36 3.246 1.515 -0.293 1.00 0.00 C ATOM 109 CG1 ILE A 36 1.733 1.719 -0.399 1.00 0.00 C ATOM 110 CG2 ILE A 36 3.632 0.203 -0.980 1.00 0.00 C ATOM 111 CD1 ILE A 36 1.442 2.934 -1.282 1.00 0.00 C ATOM 0 H ILE A 36 4.046 3.549 1.322 1.00 0.00 H new ATOM 0 HA ILE A 36 3.000 0.757 1.708 1.00 0.00 H new ATOM 0 HB ILE A 36 3.761 2.344 -0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.264 0.830 -0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.305 1.866 0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.345 0.244 -2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.709 0.056 -0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.117 -0.627 -0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.364 3.079 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.898 3.821 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.856 2.769 -2.277 1.00 0.00 H new ATOM 123 N GLN A 37 5.317 -0.185 1.821 1.00 0.00 N ATOM 124 CA GLN A 37 6.710 -0.696 1.959 1.00 0.00 C ATOM 125 C GLN A 37 6.689 -2.225 2.019 1.00 0.00 C ATOM 126 O GLN A 37 5.713 -2.827 2.421 1.00 0.00 O ATOM 127 CB GLN A 37 7.331 -0.143 3.243 1.00 0.00 C ATOM 128 CG GLN A 37 6.348 -0.319 4.403 1.00 0.00 C ATOM 129 CD GLN A 37 6.507 0.841 5.387 1.00 0.00 C ATOM 130 OE1 GLN A 37 5.891 1.876 5.230 1.00 0.00 O ATOM 131 NE2 GLN A 37 7.315 0.711 6.404 1.00 0.00 N ATOM 0 H GLN A 37 4.588 -0.813 2.161 1.00 0.00 H new ATOM 0 HA GLN A 37 7.302 -0.375 1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.264 -0.662 3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.575 0.912 3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.326 -0.352 4.026 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.532 -1.267 4.909 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.833 -0.158 6.536 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.429 1.478 7.066 1.00 0.00 H new ATOM 140 N ARG A 38 7.759 -2.858 1.623 1.00 0.00 N ATOM 141 CA ARG A 38 7.800 -4.347 1.659 1.00 0.00 C ATOM 142 C ARG A 38 8.690 -4.805 2.815 1.00 0.00 C ATOM 143 O ARG A 38 9.699 -4.197 3.114 1.00 0.00 O ATOM 144 CB ARG A 38 8.367 -4.873 0.339 1.00 0.00 C ATOM 145 CG ARG A 38 9.748 -4.260 0.095 1.00 0.00 C ATOM 146 CD ARG A 38 10.792 -5.373 0.001 1.00 0.00 C ATOM 147 NE ARG A 38 11.641 -5.158 -1.205 1.00 0.00 N ATOM 148 CZ ARG A 38 12.930 -5.345 -1.137 1.00 0.00 C ATOM 149 NH1 ARG A 38 13.418 -6.555 -1.185 1.00 0.00 N ATOM 150 NH2 ARG A 38 13.733 -4.323 -1.021 1.00 0.00 N ATOM 0 H ARG A 38 8.606 -2.409 1.276 1.00 0.00 H new ATOM 0 HA ARG A 38 6.791 -4.735 1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.441 -5.960 0.370 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.696 -4.622 -0.483 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.741 -3.676 -0.825 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.002 -3.576 0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.411 -5.382 0.898 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.300 -6.344 -0.056 1.00 0.00 H new ATOM 0 HE ARG A 38 11.214 -4.865 -2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.791 -7.355 -1.276 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.426 -6.701 -1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.353 -3.377 -0.983 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.741 -4.470 -0.968 1.00 0.00 H new ATOM 164 N GLN A 39 8.326 -5.874 3.469 1.00 0.00 N ATOM 165 CA GLN A 39 9.152 -6.370 4.606 1.00 0.00 C ATOM 166 C GLN A 39 9.844 -7.674 4.203 1.00 0.00 C ATOM 167 O GLN A 39 9.503 -8.740 4.675 1.00 0.00 O ATOM 168 CB GLN A 39 8.253 -6.624 5.818 1.00 0.00 C ATOM 169 CG GLN A 39 9.050 -6.395 7.103 1.00 0.00 C ATOM 170 CD GLN A 39 8.177 -6.732 8.313 1.00 0.00 C ATOM 171 OE1 GLN A 39 6.998 -6.989 8.173 1.00 0.00 O ATOM 172 NE2 GLN A 39 8.709 -6.741 9.504 1.00 0.00 N ATOM 0 H GLN A 39 7.492 -6.425 3.265 1.00 0.00 H new ATOM 0 HA GLN A 39 9.904 -5.623 4.861 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.390 -5.959 5.790 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.870 -7.644 5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.946 -7.016 7.103 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.381 -5.358 7.158 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.699 -6.525 9.622 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.135 -6.964 10.317 1.00 0.00 H new ATOM 181 N THR A 40 10.814 -7.597 3.334 1.00 0.00 N ATOM 182 CA THR A 40 11.527 -8.833 2.903 1.00 0.00 C ATOM 183 C THR A 40 12.098 -9.547 4.130 1.00 0.00 C ATOM 184 O THR A 40 12.404 -8.930 5.131 1.00 0.00 O ATOM 185 CB THR A 40 12.667 -8.460 1.953 1.00 0.00 C ATOM 186 OG1 THR A 40 13.444 -9.615 1.672 1.00 0.00 O ATOM 187 CG2 THR A 40 13.549 -7.394 2.605 1.00 0.00 C ATOM 0 H THR A 40 11.144 -6.733 2.904 1.00 0.00 H new ATOM 0 HA THR A 40 10.829 -9.495 2.390 1.00 0.00 H new ATOM 0 HB THR A 40 12.253 -8.066 1.025 1.00 0.00 H new ATOM 0 HG1 THR A 40 14.174 -9.378 1.062 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.361 -7.129 1.927 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.951 -6.508 2.819 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.965 -7.784 3.534 1.00 0.00 H new ATOM 195 N SER A 41 12.243 -10.841 4.061 1.00 0.00 N ATOM 196 CA SER A 41 12.794 -11.592 5.224 1.00 0.00 C ATOM 197 C SER A 41 13.490 -12.862 4.729 1.00 0.00 C ATOM 198 O SER A 41 13.166 -13.959 5.139 1.00 0.00 O ATOM 199 CB SER A 41 11.656 -11.971 6.171 1.00 0.00 C ATOM 200 OG SER A 41 11.654 -11.084 7.282 1.00 0.00 O ATOM 0 H SER A 41 12.004 -11.411 3.250 1.00 0.00 H new ATOM 0 HA SER A 41 13.513 -10.966 5.752 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.701 -11.920 5.649 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.778 -12.999 6.512 1.00 0.00 H new ATOM 0 HG SER A 41 11.862 -10.176 6.976 1.00 0.00 H new ATOM 206 N GLY A 42 14.444 -12.723 3.849 1.00 0.00 N ATOM 207 CA GLY A 42 15.158 -13.923 3.329 1.00 0.00 C ATOM 208 C GLY A 42 15.703 -13.628 1.930 1.00 0.00 C ATOM 209 O GLY A 42 15.296 -12.685 1.281 1.00 0.00 O ATOM 0 H GLY A 42 14.759 -11.831 3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.974 -14.192 3.999 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.480 -14.776 3.294 1.00 0.00 H new ATOM 213 N ARG A 43 16.622 -14.426 1.460 1.00 0.00 N ATOM 214 CA ARG A 43 17.191 -14.190 0.104 1.00 0.00 C ATOM 215 C ARG A 43 16.282 -14.828 -0.948 1.00 0.00 C ATOM 216 O ARG A 43 16.143 -16.033 -1.015 1.00 0.00 O ATOM 217 CB ARG A 43 18.586 -14.815 0.020 1.00 0.00 C ATOM 218 CG ARG A 43 19.433 -14.333 1.199 1.00 0.00 C ATOM 219 CD ARG A 43 20.620 -15.277 1.396 1.00 0.00 C ATOM 220 NE ARG A 43 21.191 -15.642 0.068 1.00 0.00 N ATOM 221 CZ ARG A 43 22.045 -14.847 -0.516 1.00 0.00 C ATOM 222 NH1 ARG A 43 22.994 -14.283 0.182 1.00 0.00 N ATOM 223 NH2 ARG A 43 21.952 -14.615 -1.796 1.00 0.00 N ATOM 0 H ARG A 43 17.003 -15.231 1.957 1.00 0.00 H new ATOM 0 HA ARG A 43 17.262 -13.118 -0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 43 18.510 -15.902 0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 43 19.063 -14.540 -0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 43 19.788 -13.319 1.015 1.00 0.00 H new ATOM 0 HG3 ARG A 43 18.828 -14.299 2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 43 21.381 -14.798 2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 43 20.300 -16.175 1.925 1.00 0.00 H new ATOM 0 HE ARG A 43 20.914 -16.513 -0.384 1.00 0.00 H new ATOM 0 HH11 ARG A 43 23.067 -14.464 1.183 1.00 0.00 H new ATOM 0 HH12 ARG A 43 23.662 -13.661 -0.274 1.00 0.00 H new ATOM 0 HH21 ARG A 43 21.211 -15.055 -2.342 1.00 0.00 H new ATOM 0 HH22 ARG A 43 22.620 -13.993 -2.251 1.00 0.00 H new ATOM 237 N LYS A 44 15.660 -14.029 -1.771 1.00 0.00 N ATOM 238 CA LYS A 44 14.759 -14.590 -2.818 1.00 0.00 C ATOM 239 C LYS A 44 13.820 -15.618 -2.184 1.00 0.00 C ATOM 240 O LYS A 44 13.858 -16.789 -2.506 1.00 0.00 O ATOM 241 CB LYS A 44 15.599 -15.266 -3.904 1.00 0.00 C ATOM 242 CG LYS A 44 14.704 -15.625 -5.092 1.00 0.00 C ATOM 243 CD LYS A 44 15.531 -16.349 -6.156 1.00 0.00 C ATOM 244 CE LYS A 44 14.663 -16.610 -7.388 1.00 0.00 C ATOM 245 NZ LYS A 44 15.401 -17.489 -8.339 1.00 0.00 N ATOM 0 H LYS A 44 15.737 -13.012 -1.764 1.00 0.00 H new ATOM 0 HA LYS A 44 14.171 -13.786 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.400 -14.600 -4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.072 -16.164 -3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.881 -16.260 -4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.261 -14.722 -5.513 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.398 -15.747 -6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.910 -17.291 -5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.726 -17.082 -7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.407 -15.667 -7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.811 -17.667 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.284 -17.022 -8.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.624 -18.393 -7.875 1.00 0.00 H new ATOM 259 N GLY A 45 12.977 -15.191 -1.285 1.00 0.00 N ATOM 260 CA GLY A 45 12.036 -16.145 -0.631 1.00 0.00 C ATOM 261 C GLY A 45 10.596 -15.761 -0.973 1.00 0.00 C ATOM 262 O GLY A 45 9.835 -16.558 -1.484 1.00 0.00 O ATOM 0 H GLY A 45 12.899 -14.223 -0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.241 -17.162 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.180 -16.131 0.449 1.00 0.00 H new ATOM 266 N LYS A 46 10.214 -14.544 -0.695 1.00 0.00 N ATOM 267 CA LYS A 46 8.823 -14.110 -1.003 1.00 0.00 C ATOM 268 C LYS A 46 8.682 -12.614 -0.716 1.00 0.00 C ATOM 269 O LYS A 46 9.073 -12.133 0.329 1.00 0.00 O ATOM 270 CB LYS A 46 7.839 -14.893 -0.132 1.00 0.00 C ATOM 271 CG LYS A 46 6.761 -15.523 -1.016 1.00 0.00 C ATOM 272 CD LYS A 46 5.849 -16.406 -0.162 1.00 0.00 C ATOM 273 CE LYS A 46 4.617 -16.806 -0.974 1.00 0.00 C ATOM 274 NZ LYS A 46 3.650 -17.519 -0.092 1.00 0.00 N ATOM 0 H LYS A 46 10.806 -13.832 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 46 8.606 -14.300 -2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.367 -15.668 0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.380 -14.230 0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.176 -14.744 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.224 -16.116 -1.805 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.388 -17.296 0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.546 -15.871 0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.149 -15.921 -1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.909 -17.448 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.812 -17.791 -0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.100 -18.372 0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.363 -16.892 0.687 1.00 0.00 H new ATOM 288 N GLY A 47 8.128 -11.872 -1.636 1.00 0.00 N ATOM 289 CA GLY A 47 7.966 -10.407 -1.415 1.00 0.00 C ATOM 290 C GLY A 47 6.559 -10.119 -0.890 1.00 0.00 C ATOM 291 O GLY A 47 5.571 -10.463 -1.509 1.00 0.00 O ATOM 0 H GLY A 47 7.781 -12.217 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.711 -10.052 -0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.135 -9.868 -2.347 1.00 0.00 H new ATOM 295 N VAL A 48 6.459 -9.487 0.248 1.00 0.00 N ATOM 296 CA VAL A 48 5.115 -9.175 0.812 1.00 0.00 C ATOM 297 C VAL A 48 4.983 -7.662 0.999 1.00 0.00 C ATOM 298 O VAL A 48 5.929 -6.985 1.350 1.00 0.00 O ATOM 299 CB VAL A 48 4.954 -9.872 2.164 1.00 0.00 C ATOM 300 CG1 VAL A 48 4.836 -11.382 1.949 1.00 0.00 C ATOM 301 CG2 VAL A 48 6.174 -9.576 3.039 1.00 0.00 C ATOM 0 H VAL A 48 7.250 -9.173 0.811 1.00 0.00 H new ATOM 0 HA VAL A 48 4.342 -9.527 0.129 1.00 0.00 H new ATOM 0 HB VAL A 48 4.054 -9.504 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.721 -11.879 2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.967 -11.594 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.735 -11.751 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.060 -10.072 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.074 -9.944 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.259 -8.500 3.193 1.00 0.00 H new ATOM 311 N CYS A 49 3.817 -7.125 0.765 1.00 0.00 N ATOM 312 CA CYS A 49 3.627 -5.656 0.928 1.00 0.00 C ATOM 313 C CYS A 49 2.461 -5.394 1.883 1.00 0.00 C ATOM 314 O CYS A 49 1.409 -5.992 1.772 1.00 0.00 O ATOM 315 CB CYS A 49 3.323 -5.027 -0.433 1.00 0.00 C ATOM 316 SG CYS A 49 4.497 -3.688 -0.755 1.00 0.00 S ATOM 0 H CYS A 49 2.988 -7.640 0.468 1.00 0.00 H new ATOM 0 HA CYS A 49 4.536 -5.216 1.337 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.391 -5.781 -1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.303 -4.642 -0.448 1.00 0.00 H new ATOM 0 HG CYS A 49 4.240 -3.155 -1.912 1.00 0.00 H new ATOM 322 N LEU A 50 2.638 -4.503 2.820 1.00 0.00 N ATOM 323 CA LEU A 50 1.539 -4.203 3.780 1.00 0.00 C ATOM 324 C LEU A 50 1.214 -2.709 3.730 1.00 0.00 C ATOM 325 O LEU A 50 2.056 -1.871 3.985 1.00 0.00 O ATOM 326 CB LEU A 50 1.979 -4.583 5.195 1.00 0.00 C ATOM 327 CG LEU A 50 3.368 -4.004 5.471 1.00 0.00 C ATOM 328 CD1 LEU A 50 3.437 -3.510 6.917 1.00 0.00 C ATOM 329 CD2 LEU A 50 4.424 -5.090 5.253 1.00 0.00 C ATOM 0 H LEU A 50 3.496 -3.970 2.962 1.00 0.00 H new ATOM 0 HA LEU A 50 0.653 -4.777 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.264 -4.203 5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.998 -5.668 5.302 1.00 0.00 H new ATOM 0 HG LEU A 50 3.556 -3.171 4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.427 -3.097 7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.684 -2.738 7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.250 -4.342 7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.414 -4.679 5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.235 -5.922 5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.375 -5.443 4.223 1.00 0.00 H new ATOM 341 N ILE A 51 -0.003 -2.368 3.402 1.00 0.00 N ATOM 342 CA ILE A 51 -0.381 -0.928 3.334 1.00 0.00 C ATOM 343 C ILE A 51 -0.916 -0.477 4.695 1.00 0.00 C ATOM 344 O ILE A 51 -1.898 -0.994 5.189 1.00 0.00 O ATOM 345 CB ILE A 51 -1.464 -0.735 2.270 1.00 0.00 C ATOM 346 CG1 ILE A 51 -1.237 -1.725 1.126 1.00 0.00 C ATOM 347 CG2 ILE A 51 -1.397 0.693 1.727 1.00 0.00 C ATOM 348 CD1 ILE A 51 0.195 -1.586 0.606 1.00 0.00 C ATOM 0 H ILE A 51 -0.751 -3.024 3.178 1.00 0.00 H new ATOM 0 HA ILE A 51 0.495 -0.334 3.073 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.444 -0.910 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.412 -2.744 1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.947 -1.536 0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.168 0.831 0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.558 1.400 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.417 0.868 1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.356 -2.292 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.353 -0.570 0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.897 -1.797 1.413 1.00 0.00 H new ATOM 360 N THR A 52 -0.278 0.485 5.304 1.00 0.00 N ATOM 361 CA THR A 52 -0.751 0.969 6.632 1.00 0.00 C ATOM 362 C THR A 52 -0.379 2.444 6.799 1.00 0.00 C ATOM 363 O THR A 52 0.504 2.950 6.136 1.00 0.00 O ATOM 364 CB THR A 52 -0.087 0.147 7.740 1.00 0.00 C ATOM 365 OG1 THR A 52 0.268 -1.131 7.231 1.00 0.00 O ATOM 366 CG2 THR A 52 -1.060 -0.018 8.908 1.00 0.00 C ATOM 0 H THR A 52 0.550 0.956 4.940 1.00 0.00 H new ATOM 0 HA THR A 52 -1.833 0.858 6.695 1.00 0.00 H new ATOM 0 HB THR A 52 0.809 0.661 8.088 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.544 -1.655 7.069 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.586 -0.603 9.696 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.331 0.963 9.298 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.958 -0.532 8.564 1.00 0.00 H new ATOM 374 N GLY A 53 -1.046 3.138 7.681 1.00 0.00 N ATOM 375 CA GLY A 53 -0.730 4.579 7.889 1.00 0.00 C ATOM 376 C GLY A 53 -1.855 5.440 7.313 1.00 0.00 C ATOM 377 O GLY A 53 -2.140 6.515 7.802 1.00 0.00 O ATOM 0 H GLY A 53 -1.796 2.769 8.266 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.609 4.785 8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.215 4.828 7.406 1.00 0.00 H new ATOM 381 N VAL A 54 -2.499 4.976 6.277 1.00 0.00 N ATOM 382 CA VAL A 54 -3.605 5.769 5.671 1.00 0.00 C ATOM 383 C VAL A 54 -4.507 6.314 6.780 1.00 0.00 C ATOM 384 O VAL A 54 -5.181 5.571 7.466 1.00 0.00 O ATOM 385 CB VAL A 54 -4.425 4.874 4.741 1.00 0.00 C ATOM 386 CG1 VAL A 54 -5.687 5.617 4.299 1.00 0.00 C ATOM 387 CG2 VAL A 54 -3.589 4.516 3.511 1.00 0.00 C ATOM 0 H VAL A 54 -2.307 4.082 5.824 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.187 6.599 5.101 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.706 3.963 5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.271 4.979 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.283 5.874 5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.407 6.528 3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.173 3.878 2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.309 5.428 2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.689 3.987 3.824 1.00 0.00 H new ATOM 397 N ASP A 55 -4.526 7.606 6.962 1.00 0.00 N ATOM 398 CA ASP A 55 -5.385 8.196 8.028 1.00 0.00 C ATOM 399 C ASP A 55 -6.482 9.048 7.386 1.00 0.00 C ATOM 400 O ASP A 55 -6.414 10.261 7.378 1.00 0.00 O ATOM 401 CB ASP A 55 -4.529 9.072 8.946 1.00 0.00 C ATOM 402 CG ASP A 55 -5.368 9.531 10.140 1.00 0.00 C ATOM 403 OD1 ASP A 55 -5.977 8.684 10.772 1.00 0.00 O ATOM 404 OD2 ASP A 55 -5.387 10.723 10.401 1.00 0.00 O ATOM 0 H ASP A 55 -3.984 8.278 6.419 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.841 7.396 8.611 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.659 8.514 9.292 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.155 9.936 8.397 1.00 0.00 H new ATOM 409 N LEU A 56 -7.494 8.423 6.849 1.00 0.00 N ATOM 410 CA LEU A 56 -8.595 9.197 6.210 1.00 0.00 C ATOM 411 C LEU A 56 -9.941 8.705 6.746 1.00 0.00 C ATOM 412 O LEU A 56 -10.025 8.151 7.824 1.00 0.00 O ATOM 413 CB LEU A 56 -8.546 8.997 4.693 1.00 0.00 C ATOM 414 CG LEU A 56 -7.146 9.335 4.178 1.00 0.00 C ATOM 415 CD1 LEU A 56 -7.007 8.863 2.729 1.00 0.00 C ATOM 416 CD2 LEU A 56 -6.932 10.849 4.242 1.00 0.00 C ATOM 0 H LEU A 56 -7.606 7.409 6.825 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.477 10.256 6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.798 7.966 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.287 9.633 4.208 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.401 8.835 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.009 9.104 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.161 7.785 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.752 9.364 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.935 11.091 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.677 11.348 3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.031 11.187 5.273 1.00 0.00 H new ATOM 428 N ASP A 57 -10.994 8.902 6.002 1.00 0.00 N ATOM 429 CA ASP A 57 -12.332 8.443 6.470 1.00 0.00 C ATOM 430 C ASP A 57 -12.362 6.914 6.506 1.00 0.00 C ATOM 431 O ASP A 57 -11.786 6.253 5.665 1.00 0.00 O ATOM 432 CB ASP A 57 -13.412 8.954 5.513 1.00 0.00 C ATOM 433 CG ASP A 57 -14.071 10.201 6.106 1.00 0.00 C ATOM 434 OD1 ASP A 57 -13.560 10.704 7.093 1.00 0.00 O ATOM 435 OD2 ASP A 57 -15.075 10.632 5.563 1.00 0.00 O ATOM 0 H ASP A 57 -10.986 9.361 5.091 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.521 8.834 7.470 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.972 9.188 4.543 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.160 8.179 5.345 1.00 0.00 H new ATOM 440 N ASP A 58 -13.026 6.346 7.476 1.00 0.00 N ATOM 441 CA ASP A 58 -13.090 4.860 7.566 1.00 0.00 C ATOM 442 C ASP A 58 -13.693 4.292 6.280 1.00 0.00 C ATOM 443 O ASP A 58 -13.304 3.241 5.812 1.00 0.00 O ATOM 444 CB ASP A 58 -13.961 4.459 8.758 1.00 0.00 C ATOM 445 CG ASP A 58 -13.080 3.860 9.856 1.00 0.00 C ATOM 446 OD1 ASP A 58 -11.925 4.243 9.936 1.00 0.00 O ATOM 447 OD2 ASP A 58 -13.577 3.028 10.598 1.00 0.00 O ATOM 0 H ASP A 58 -13.527 6.847 8.210 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.084 4.462 7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.496 5.329 9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.713 3.735 8.445 1.00 0.00 H new ATOM 452 N ALA A 59 -14.642 4.978 5.704 1.00 0.00 N ATOM 453 CA ALA A 59 -15.268 4.474 4.449 1.00 0.00 C ATOM 454 C ALA A 59 -14.311 4.694 3.276 1.00 0.00 C ATOM 455 O ALA A 59 -14.277 3.922 2.338 1.00 0.00 O ATOM 456 CB ALA A 59 -16.573 5.230 4.192 1.00 0.00 C ATOM 0 H ALA A 59 -15.011 5.865 6.048 1.00 0.00 H new ATOM 0 HA ALA A 59 -15.478 3.409 4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -17.032 4.862 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -17.255 5.072 5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -16.363 6.295 4.091 1.00 0.00 H new ATOM 462 N GLU A 60 -13.534 5.741 3.320 1.00 0.00 N ATOM 463 CA GLU A 60 -12.581 6.008 2.206 1.00 0.00 C ATOM 464 C GLU A 60 -11.437 4.993 2.257 1.00 0.00 C ATOM 465 O GLU A 60 -10.818 4.691 1.256 1.00 0.00 O ATOM 466 CB GLU A 60 -12.014 7.422 2.348 1.00 0.00 C ATOM 467 CG GLU A 60 -11.715 7.995 0.961 1.00 0.00 C ATOM 468 CD GLU A 60 -11.233 9.440 1.099 1.00 0.00 C ATOM 469 OE1 GLU A 60 -10.382 9.683 1.938 1.00 0.00 O ATOM 470 OE2 GLU A 60 -11.724 10.280 0.362 1.00 0.00 O ATOM 0 H GLU A 60 -13.518 6.423 4.079 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.103 5.919 1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.727 8.060 2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.104 7.402 2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.955 7.393 0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.610 7.957 0.339 1.00 0.00 H new ATOM 477 N LEU A 61 -11.148 4.467 3.415 1.00 0.00 N ATOM 478 CA LEU A 61 -10.043 3.473 3.527 1.00 0.00 C ATOM 479 C LEU A 61 -10.475 2.153 2.886 1.00 0.00 C ATOM 480 O LEU A 61 -9.832 1.649 1.988 1.00 0.00 O ATOM 481 CB LEU A 61 -9.714 3.240 5.003 1.00 0.00 C ATOM 482 CG LEU A 61 -8.595 4.189 5.432 1.00 0.00 C ATOM 483 CD1 LEU A 61 -9.116 5.134 6.516 1.00 0.00 C ATOM 484 CD2 LEU A 61 -7.422 3.376 5.986 1.00 0.00 C ATOM 0 H LEU A 61 -11.629 4.682 4.288 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.160 3.853 3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.601 3.406 5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.408 2.206 5.159 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.261 4.770 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.319 5.811 6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.952 5.712 6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.449 4.553 7.376 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.623 4.052 6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.756 2.795 6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.051 2.701 5.215 1.00 0.00 H new ATOM 496 N THR A 62 -11.561 1.589 3.341 1.00 0.00 N ATOM 497 CA THR A 62 -12.031 0.301 2.757 1.00 0.00 C ATOM 498 C THR A 62 -12.224 0.466 1.248 1.00 0.00 C ATOM 499 O THR A 62 -12.171 -0.489 0.498 1.00 0.00 O ATOM 500 CB THR A 62 -13.362 -0.097 3.401 1.00 0.00 C ATOM 501 OG1 THR A 62 -13.866 -1.261 2.762 1.00 0.00 O ATOM 502 CG2 THR A 62 -14.367 1.046 3.250 1.00 0.00 C ATOM 0 H THR A 62 -12.142 1.964 4.091 1.00 0.00 H new ATOM 0 HA THR A 62 -11.290 -0.475 2.946 1.00 0.00 H new ATOM 0 HB THR A 62 -13.206 -0.302 4.460 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.717 -1.518 3.174 1.00 0.00 H new ATOM 0 HG21 THR A 62 -15.314 0.761 3.709 1.00 0.00 H new ATOM 0 HG22 THR A 62 -13.980 1.938 3.742 1.00 0.00 H new ATOM 0 HG23 THR A 62 -14.525 1.254 2.192 1.00 0.00 H new ATOM 510 N LYS A 63 -12.447 1.669 0.797 1.00 0.00 N ATOM 511 CA LYS A 63 -12.644 1.893 -0.663 1.00 0.00 C ATOM 512 C LYS A 63 -11.294 1.814 -1.379 1.00 0.00 C ATOM 513 O LYS A 63 -11.160 1.172 -2.401 1.00 0.00 O ATOM 514 CB LYS A 63 -13.266 3.272 -0.889 1.00 0.00 C ATOM 515 CG LYS A 63 -14.771 3.199 -0.626 1.00 0.00 C ATOM 516 CD LYS A 63 -15.431 4.514 -1.045 1.00 0.00 C ATOM 517 CE LYS A 63 -16.887 4.525 -0.577 1.00 0.00 C ATOM 518 NZ LYS A 63 -17.443 5.901 -0.712 1.00 0.00 N ATOM 0 H LYS A 63 -12.501 2.507 1.376 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.309 1.127 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.805 4.004 -0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.080 3.604 -1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.207 2.369 -1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.957 3.008 0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.893 5.357 -0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.385 4.628 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.475 3.824 -1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.949 4.197 0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.433 5.908 -0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.887 6.559 -0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.397 6.198 -1.708 1.00 0.00 H new ATOM 532 N LEU A 64 -10.290 2.461 -0.850 1.00 0.00 N ATOM 533 CA LEU A 64 -8.952 2.418 -1.504 1.00 0.00 C ATOM 534 C LEU A 64 -8.459 0.970 -1.556 1.00 0.00 C ATOM 535 O LEU A 64 -7.981 0.504 -2.571 1.00 0.00 O ATOM 536 CB LEU A 64 -7.964 3.267 -0.701 1.00 0.00 C ATOM 537 CG LEU A 64 -7.452 4.415 -1.573 1.00 0.00 C ATOM 538 CD1 LEU A 64 -6.648 3.847 -2.744 1.00 0.00 C ATOM 539 CD2 LEU A 64 -8.641 5.213 -2.111 1.00 0.00 C ATOM 0 H LEU A 64 -10.339 3.016 0.005 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.028 2.813 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.449 3.662 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.130 2.652 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.814 5.068 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.283 4.665 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.802 3.276 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.286 3.195 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.278 6.032 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.278 4.559 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.215 5.617 -1.277 1.00 0.00 H new ATOM 551 N ALA A 65 -8.573 0.255 -0.471 1.00 0.00 N ATOM 552 CA ALA A 65 -8.112 -1.162 -0.461 1.00 0.00 C ATOM 553 C ALA A 65 -8.986 -1.987 -1.408 1.00 0.00 C ATOM 554 O ALA A 65 -8.512 -2.868 -2.098 1.00 0.00 O ATOM 555 CB ALA A 65 -8.223 -1.727 0.957 1.00 0.00 C ATOM 0 H ALA A 65 -8.965 0.590 0.409 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.074 -1.208 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.886 -2.763 0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.602 -1.139 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.261 -1.681 1.287 1.00 0.00 H new ATOM 561 N ALA A 66 -10.260 -1.708 -1.448 1.00 0.00 N ATOM 562 CA ALA A 66 -11.163 -2.476 -2.351 1.00 0.00 C ATOM 563 C ALA A 66 -10.683 -2.328 -3.796 1.00 0.00 C ATOM 564 O ALA A 66 -10.747 -3.254 -4.580 1.00 0.00 O ATOM 565 CB ALA A 66 -12.589 -1.935 -2.227 1.00 0.00 C ATOM 0 H ALA A 66 -10.715 -0.982 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.150 -3.529 -2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.250 -2.496 -2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.930 -2.041 -1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.604 -0.882 -2.508 1.00 0.00 H new ATOM 571 N GLU A 67 -10.200 -1.169 -4.155 1.00 0.00 N ATOM 572 CA GLU A 67 -9.715 -0.963 -5.548 1.00 0.00 C ATOM 573 C GLU A 67 -8.356 -1.647 -5.721 1.00 0.00 C ATOM 574 O GLU A 67 -8.049 -2.186 -6.765 1.00 0.00 O ATOM 575 CB GLU A 67 -9.568 0.536 -5.821 1.00 0.00 C ATOM 576 CG GLU A 67 -10.916 1.111 -6.260 1.00 0.00 C ATOM 577 CD GLU A 67 -10.685 2.371 -7.097 1.00 0.00 C ATOM 578 OE1 GLU A 67 -9.943 2.290 -8.062 1.00 0.00 O ATOM 579 OE2 GLU A 67 -11.256 3.395 -6.759 1.00 0.00 O ATOM 0 H GLU A 67 -10.121 -0.357 -3.543 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.431 -1.392 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.218 1.047 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.820 0.703 -6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.467 0.371 -6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.524 1.348 -5.387 1.00 0.00 H new ATOM 586 N LEU A 68 -7.541 -1.627 -4.702 1.00 0.00 N ATOM 587 CA LEU A 68 -6.201 -2.273 -4.803 1.00 0.00 C ATOM 588 C LEU A 68 -6.368 -3.744 -5.191 1.00 0.00 C ATOM 589 O LEU A 68 -5.779 -4.215 -6.143 1.00 0.00 O ATOM 590 CB LEU A 68 -5.492 -2.180 -3.450 1.00 0.00 C ATOM 591 CG LEU A 68 -4.084 -1.618 -3.648 1.00 0.00 C ATOM 592 CD1 LEU A 68 -3.373 -2.397 -4.756 1.00 0.00 C ATOM 593 CD2 LEU A 68 -4.176 -0.142 -4.042 1.00 0.00 C ATOM 0 H LEU A 68 -7.745 -1.191 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.608 -1.764 -5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.059 -1.540 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.440 -3.165 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.521 -1.713 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.369 -1.996 -4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.308 -3.449 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.935 -2.303 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.173 0.260 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.739 -0.048 -4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.682 0.414 -3.253 1.00 0.00 H new ATOM 605 N LYS A 69 -7.167 -4.473 -4.460 1.00 0.00 N ATOM 606 CA LYS A 69 -7.371 -5.912 -4.786 1.00 0.00 C ATOM 607 C LYS A 69 -8.086 -6.034 -6.134 1.00 0.00 C ATOM 608 O LYS A 69 -7.851 -6.954 -6.892 1.00 0.00 O ATOM 609 CB LYS A 69 -8.225 -6.563 -3.696 1.00 0.00 C ATOM 610 CG LYS A 69 -9.573 -5.845 -3.613 1.00 0.00 C ATOM 611 CD LYS A 69 -10.418 -6.468 -2.501 1.00 0.00 C ATOM 612 CE LYS A 69 -11.895 -6.154 -2.748 1.00 0.00 C ATOM 613 NZ LYS A 69 -12.350 -6.852 -3.983 1.00 0.00 N ATOM 0 H LYS A 69 -7.687 -4.133 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.405 -6.413 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.376 -7.619 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.712 -6.510 -2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.420 -4.784 -3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.096 -5.920 -4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.264 -7.547 -2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.109 -6.077 -1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.494 -6.474 -1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.037 -5.078 -2.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.357 -7.095 -3.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.216 -6.228 -4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.795 -7.721 -4.115 1.00 0.00 H new ATOM 627 N LYS A 70 -8.958 -5.113 -6.436 1.00 0.00 N ATOM 628 CA LYS A 70 -9.691 -5.175 -7.732 1.00 0.00 C ATOM 629 C LYS A 70 -8.693 -5.135 -8.892 1.00 0.00 C ATOM 630 O LYS A 70 -8.991 -5.550 -9.994 1.00 0.00 O ATOM 631 CB LYS A 70 -10.638 -3.977 -7.837 1.00 0.00 C ATOM 632 CG LYS A 70 -12.022 -4.454 -8.279 1.00 0.00 C ATOM 633 CD LYS A 70 -12.667 -3.394 -9.173 1.00 0.00 C ATOM 634 CE LYS A 70 -13.709 -4.053 -10.079 1.00 0.00 C ATOM 635 NZ LYS A 70 -14.821 -3.095 -10.337 1.00 0.00 N ATOM 0 H LYS A 70 -9.195 -4.319 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.263 -6.102 -7.779 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.707 -3.470 -6.875 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.247 -3.253 -8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.938 -5.397 -8.819 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.649 -4.640 -7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.137 -2.624 -8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.905 -2.900 -9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.249 -4.355 -11.020 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.096 -4.957 -9.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.529 -3.543 -10.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.265 -2.828 -9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.445 -2.245 -10.803 1.00 0.00 H new ATOM 649 N LYS A 71 -7.512 -4.632 -8.655 1.00 0.00 N ATOM 650 CA LYS A 71 -6.500 -4.559 -9.747 1.00 0.00 C ATOM 651 C LYS A 71 -5.747 -5.888 -9.844 1.00 0.00 C ATOM 652 O LYS A 71 -5.403 -6.339 -10.918 1.00 0.00 O ATOM 653 CB LYS A 71 -5.510 -3.431 -9.446 1.00 0.00 C ATOM 654 CG LYS A 71 -5.556 -2.396 -10.573 1.00 0.00 C ATOM 655 CD LYS A 71 -6.628 -1.348 -10.263 1.00 0.00 C ATOM 656 CE LYS A 71 -6.763 -0.391 -11.450 1.00 0.00 C ATOM 657 NZ LYS A 71 -5.913 0.811 -11.219 1.00 0.00 N ATOM 0 H LYS A 71 -7.204 -4.269 -7.753 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.003 -4.362 -10.694 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.758 -2.960 -8.495 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.502 -3.834 -9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.583 -1.916 -10.679 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.775 -2.886 -11.522 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.582 -1.836 -10.065 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.361 -0.794 -9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.461 -0.891 -12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.804 -0.094 -11.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.005 1.461 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.221 1.292 -10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.919 0.520 -11.120 1.00 0.00 H new ATOM 671 N CYS A 72 -5.485 -6.517 -8.731 1.00 0.00 N ATOM 672 CA CYS A 72 -4.751 -7.814 -8.762 1.00 0.00 C ATOM 673 C CYS A 72 -5.753 -8.970 -8.766 1.00 0.00 C ATOM 674 O CYS A 72 -5.842 -9.724 -9.715 1.00 0.00 O ATOM 675 CB CYS A 72 -3.857 -7.922 -7.525 1.00 0.00 C ATOM 676 SG CYS A 72 -2.163 -7.459 -7.962 1.00 0.00 S ATOM 0 H CYS A 72 -5.747 -6.189 -7.802 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.138 -7.862 -9.662 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.231 -7.271 -6.735 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -3.878 -8.940 -7.136 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.404 -7.548 -6.911 1.00 0.00 H new ATOM 682 N GLY A 73 -6.502 -9.120 -7.709 1.00 0.00 N ATOM 683 CA GLY A 73 -7.494 -10.231 -7.648 1.00 0.00 C ATOM 684 C GLY A 73 -7.140 -11.163 -6.487 1.00 0.00 C ATOM 685 O GLY A 73 -7.752 -12.195 -6.298 1.00 0.00 O ATOM 0 H GLY A 73 -6.470 -8.521 -6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.499 -9.830 -7.514 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.495 -10.785 -8.587 1.00 0.00 H new ATOM 689 N CYS A 74 -6.153 -10.807 -5.709 1.00 0.00 N ATOM 690 CA CYS A 74 -5.757 -11.670 -4.562 1.00 0.00 C ATOM 691 C CYS A 74 -4.960 -10.837 -3.555 1.00 0.00 C ATOM 692 O CYS A 74 -3.942 -10.260 -3.882 1.00 0.00 O ATOM 693 CB CYS A 74 -4.891 -12.825 -5.069 1.00 0.00 C ATOM 694 SG CYS A 74 -4.384 -13.858 -3.672 1.00 0.00 S ATOM 0 H CYS A 74 -5.604 -9.954 -5.820 1.00 0.00 H new ATOM 0 HA CYS A 74 -6.649 -12.071 -4.080 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.448 -13.421 -5.792 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.013 -12.436 -5.585 1.00 0.00 H new ATOM 0 HG CYS A 74 -3.650 -14.841 -4.103 1.00 0.00 H new ATOM 700 N GLY A 75 -5.416 -10.763 -2.335 1.00 0.00 N ATOM 701 CA GLY A 75 -4.684 -9.961 -1.314 1.00 0.00 C ATOM 702 C GLY A 75 -4.461 -10.805 -0.059 1.00 0.00 C ATOM 703 O GLY A 75 -3.644 -11.703 -0.039 1.00 0.00 O ATOM 0 H GLY A 75 -6.263 -11.223 -2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.727 -9.629 -1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.253 -9.065 -1.065 1.00 0.00 H new ATOM 707 N GLY A 76 -5.182 -10.522 0.992 1.00 0.00 N ATOM 708 CA GLY A 76 -5.010 -11.308 2.247 1.00 0.00 C ATOM 709 C GLY A 76 -6.085 -10.898 3.254 1.00 0.00 C ATOM 710 O GLY A 76 -6.728 -11.729 3.864 1.00 0.00 O ATOM 0 H GLY A 76 -5.882 -9.781 1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.083 -12.375 2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.019 -11.134 2.665 1.00 0.00 H new ATOM 714 N ALA A 77 -6.284 -9.621 3.434 1.00 0.00 N ATOM 715 CA ALA A 77 -7.317 -9.157 4.403 1.00 0.00 C ATOM 716 C ALA A 77 -7.374 -7.628 4.398 1.00 0.00 C ATOM 717 O ALA A 77 -6.404 -6.959 4.699 1.00 0.00 O ATOM 718 CB ALA A 77 -6.957 -9.650 5.805 1.00 0.00 C ATOM 0 H ALA A 77 -5.776 -8.879 2.952 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.290 -9.556 4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.712 -9.311 6.515 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.918 -10.739 5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.984 -9.251 6.092 1.00 0.00 H new ATOM 724 N VAL A 78 -8.505 -7.070 4.062 1.00 0.00 N ATOM 725 CA VAL A 78 -8.630 -5.585 4.040 1.00 0.00 C ATOM 726 C VAL A 78 -9.345 -5.119 5.310 1.00 0.00 C ATOM 727 O VAL A 78 -10.556 -5.150 5.399 1.00 0.00 O ATOM 728 CB VAL A 78 -9.439 -5.161 2.813 1.00 0.00 C ATOM 729 CG1 VAL A 78 -9.725 -3.660 2.883 1.00 0.00 C ATOM 730 CG2 VAL A 78 -8.638 -5.468 1.545 1.00 0.00 C ATOM 0 H VAL A 78 -9.349 -7.580 3.801 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.639 -5.134 3.994 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.381 -5.709 2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.301 -3.358 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.294 -3.440 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.784 -3.111 2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.213 -5.167 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.697 -4.919 1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.433 -6.537 1.494 1.00 0.00 H new ATOM 740 N LYS A 79 -8.605 -4.693 6.297 1.00 0.00 N ATOM 741 CA LYS A 79 -9.245 -4.233 7.561 1.00 0.00 C ATOM 742 C LYS A 79 -9.172 -2.708 7.654 1.00 0.00 C ATOM 743 O LYS A 79 -8.186 -2.099 7.287 1.00 0.00 O ATOM 744 CB LYS A 79 -8.515 -4.850 8.755 1.00 0.00 C ATOM 745 CG LYS A 79 -8.090 -6.278 8.408 1.00 0.00 C ATOM 746 CD LYS A 79 -7.870 -7.071 9.697 1.00 0.00 C ATOM 747 CE LYS A 79 -8.566 -8.428 9.588 1.00 0.00 C ATOM 748 NZ LYS A 79 -7.559 -9.516 9.733 1.00 0.00 N ATOM 0 H LYS A 79 -7.586 -4.644 6.282 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.289 -4.545 7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.641 -4.251 9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.165 -4.855 9.630 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.855 -6.759 7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.174 -6.263 7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.803 -7.211 9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.263 -6.516 10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.330 -8.520 10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.073 -8.513 8.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.032 -10.439 9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.846 -9.431 8.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.095 -9.438 10.661 1.00 0.00 H new ATOM 762 N ASP A 80 -10.209 -2.087 8.146 1.00 0.00 N ATOM 763 CA ASP A 80 -10.203 -0.603 8.268 1.00 0.00 C ATOM 764 C ASP A 80 -9.018 -0.168 9.132 1.00 0.00 C ATOM 765 O ASP A 80 -9.093 -0.162 10.345 1.00 0.00 O ATOM 766 CB ASP A 80 -11.506 -0.141 8.924 1.00 0.00 C ATOM 767 CG ASP A 80 -11.901 -1.128 10.024 1.00 0.00 C ATOM 768 OD1 ASP A 80 -11.213 -1.169 11.031 1.00 0.00 O ATOM 769 OD2 ASP A 80 -12.885 -1.826 9.841 1.00 0.00 O ATOM 0 H ASP A 80 -11.061 -2.545 8.469 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.115 -0.157 7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.380 0.857 9.344 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.298 -0.075 8.178 1.00 0.00 H new ATOM 774 N GLY A 81 -7.926 0.197 8.520 1.00 0.00 N ATOM 775 CA GLY A 81 -6.741 0.632 9.312 1.00 0.00 C ATOM 776 C GLY A 81 -5.509 -0.160 8.874 1.00 0.00 C ATOM 777 O GLY A 81 -4.426 0.377 8.752 1.00 0.00 O ATOM 0 H GLY A 81 -7.803 0.213 7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.569 1.699 9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.925 0.477 10.375 1.00 0.00 H new ATOM 781 N VAL A 82 -5.662 -1.433 8.636 1.00 0.00 N ATOM 782 CA VAL A 82 -4.494 -2.254 8.208 1.00 0.00 C ATOM 783 C VAL A 82 -4.886 -3.116 7.006 1.00 0.00 C ATOM 784 O VAL A 82 -5.813 -3.900 7.067 1.00 0.00 O ATOM 785 CB VAL A 82 -4.055 -3.157 9.362 1.00 0.00 C ATOM 786 CG1 VAL A 82 -2.753 -3.867 8.988 1.00 0.00 C ATOM 787 CG2 VAL A 82 -3.829 -2.307 10.614 1.00 0.00 C ATOM 0 H VAL A 82 -6.543 -1.940 8.719 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.672 -1.596 7.928 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.829 -3.898 9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.440 -4.510 9.810 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.912 -4.471 8.095 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.978 -3.126 8.792 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.516 -2.949 11.438 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.054 -1.567 10.416 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.756 -1.799 10.881 1.00 0.00 H new ATOM 797 N ILE A 83 -4.184 -2.979 5.914 1.00 0.00 N ATOM 798 CA ILE A 83 -4.512 -3.792 4.709 1.00 0.00 C ATOM 799 C ILE A 83 -3.295 -4.635 4.323 1.00 0.00 C ATOM 800 O ILE A 83 -2.186 -4.144 4.251 1.00 0.00 O ATOM 801 CB ILE A 83 -4.878 -2.863 3.550 1.00 0.00 C ATOM 802 CG1 ILE A 83 -5.904 -1.832 4.028 1.00 0.00 C ATOM 803 CG2 ILE A 83 -5.479 -3.685 2.408 1.00 0.00 C ATOM 804 CD1 ILE A 83 -5.216 -0.480 4.222 1.00 0.00 C ATOM 0 H ILE A 83 -3.397 -2.339 5.805 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.356 -4.446 4.928 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.982 -2.351 3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.710 -1.741 3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.356 -2.160 4.964 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.740 -3.024 1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.751 -4.421 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.375 -4.197 2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.946 0.254 4.562 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.426 -0.577 4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.785 -0.152 3.276 1.00 0.00 H new ATOM 816 N GLU A 84 -3.492 -5.901 4.075 1.00 0.00 N ATOM 817 CA GLU A 84 -2.344 -6.772 3.696 1.00 0.00 C ATOM 818 C GLU A 84 -2.469 -7.174 2.225 1.00 0.00 C ATOM 819 O GLU A 84 -3.538 -7.509 1.752 1.00 0.00 O ATOM 820 CB GLU A 84 -2.348 -8.028 4.572 1.00 0.00 C ATOM 821 CG GLU A 84 -2.587 -7.631 6.030 1.00 0.00 C ATOM 822 CD GLU A 84 -2.485 -8.871 6.921 1.00 0.00 C ATOM 823 OE1 GLU A 84 -2.140 -9.920 6.404 1.00 0.00 O ATOM 824 OE2 GLU A 84 -2.754 -8.749 8.105 1.00 0.00 O ATOM 0 H GLU A 84 -4.397 -6.369 4.118 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.411 -6.228 3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.126 -8.715 4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.398 -8.553 4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.854 -6.886 6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.571 -7.174 6.137 1.00 0.00 H new ATOM 831 N ILE A 85 -1.386 -7.143 1.498 1.00 0.00 N ATOM 832 CA ILE A 85 -1.445 -7.523 0.058 1.00 0.00 C ATOM 833 C ILE A 85 -0.306 -8.493 -0.263 1.00 0.00 C ATOM 834 O ILE A 85 0.854 -8.196 -0.053 1.00 0.00 O ATOM 835 CB ILE A 85 -1.304 -6.269 -0.807 1.00 0.00 C ATOM 836 CG1 ILE A 85 -2.539 -5.384 -0.625 1.00 0.00 C ATOM 837 CG2 ILE A 85 -1.179 -6.672 -2.277 1.00 0.00 C ATOM 838 CD1 ILE A 85 -3.777 -6.122 -1.139 1.00 0.00 C ATOM 0 H ILE A 85 -0.464 -6.871 1.838 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.401 -8.004 -0.150 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.413 -5.719 -0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.665 -5.130 0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.411 -4.447 -1.166 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.079 -5.778 -2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.300 -7.303 -2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.069 -7.223 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.657 -5.491 -1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.650 -6.354 -2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.908 -7.047 -0.578 1.00 0.00 H new ATOM 850 N GLN A 86 -0.626 -9.652 -0.771 1.00 0.00 N ATOM 851 CA GLN A 86 0.438 -10.641 -1.105 1.00 0.00 C ATOM 852 C GLN A 86 0.869 -10.453 -2.561 1.00 0.00 C ATOM 853 O GLN A 86 0.170 -10.832 -3.479 1.00 0.00 O ATOM 854 CB GLN A 86 -0.106 -12.058 -0.914 1.00 0.00 C ATOM 855 CG GLN A 86 0.774 -12.814 0.083 1.00 0.00 C ATOM 856 CD GLN A 86 0.243 -14.239 0.254 1.00 0.00 C ATOM 857 OE1 GLN A 86 -0.831 -14.559 -0.216 1.00 0.00 O ATOM 858 NE2 GLN A 86 0.955 -15.114 0.910 1.00 0.00 N ATOM 0 H GLN A 86 -1.579 -9.957 -0.969 1.00 0.00 H new ATOM 0 HA GLN A 86 1.295 -10.489 -0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.133 -12.019 -0.551 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -0.125 -12.583 -1.869 1.00 0.00 H new ATOM 0 HG2 GLN A 86 1.805 -12.839 -0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.779 -12.299 1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 86 1.856 -14.845 1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 86 0.610 -16.067 1.028 1.00 0.00 H new ATOM 867 N GLY A 87 2.017 -9.871 -2.778 1.00 0.00 N ATOM 868 CA GLY A 87 2.493 -9.660 -4.175 1.00 0.00 C ATOM 869 C GLY A 87 3.838 -8.932 -4.151 1.00 0.00 C ATOM 870 O GLY A 87 4.510 -8.883 -3.140 1.00 0.00 O ATOM 0 H GLY A 87 2.645 -9.533 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.595 -10.618 -4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.762 -9.077 -4.736 1.00 0.00 H new ATOM 874 N ASP A 88 4.237 -8.366 -5.257 1.00 0.00 N ATOM 875 CA ASP A 88 5.539 -7.643 -5.296 1.00 0.00 C ATOM 876 C ASP A 88 5.492 -6.566 -6.382 1.00 0.00 C ATOM 877 O ASP A 88 6.132 -6.678 -7.409 1.00 0.00 O ATOM 878 CB ASP A 88 6.664 -8.632 -5.607 1.00 0.00 C ATOM 879 CG ASP A 88 7.965 -8.144 -4.967 1.00 0.00 C ATOM 880 OD1 ASP A 88 7.888 -7.495 -3.937 1.00 0.00 O ATOM 881 OD2 ASP A 88 9.016 -8.426 -5.519 1.00 0.00 O ATOM 0 H ASP A 88 3.718 -8.373 -6.135 1.00 0.00 H new ATOM 0 HA ASP A 88 5.724 -7.176 -4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.408 -9.621 -5.227 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.790 -8.728 -6.685 1.00 0.00 H new ATOM 886 N LYS A 89 4.738 -5.523 -6.164 1.00 0.00 N ATOM 887 CA LYS A 89 4.650 -4.441 -7.184 1.00 0.00 C ATOM 888 C LYS A 89 4.722 -3.078 -6.493 1.00 0.00 C ATOM 889 O LYS A 89 3.906 -2.209 -6.728 1.00 0.00 O ATOM 890 CB LYS A 89 3.325 -4.560 -7.939 1.00 0.00 C ATOM 891 CG LYS A 89 3.494 -5.517 -9.120 1.00 0.00 C ATOM 892 CD LYS A 89 2.190 -5.578 -9.918 1.00 0.00 C ATOM 893 CE LYS A 89 2.422 -6.351 -11.218 1.00 0.00 C ATOM 894 NZ LYS A 89 1.160 -6.381 -12.010 1.00 0.00 N ATOM 0 H LYS A 89 4.179 -5.374 -5.324 1.00 0.00 H new ATOM 0 HA LYS A 89 5.479 -4.536 -7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.545 -4.925 -7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 89 3.008 -3.580 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.309 -5.181 -9.760 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.760 -6.511 -8.761 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.413 -6.063 -9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.839 -4.570 -10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.216 -5.880 -11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.749 -7.367 -10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.317 -6.906 -12.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.414 -6.849 -11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.867 -5.408 -12.233 1.00 0.00 H new ATOM 908 N ARG A 90 5.692 -2.883 -5.642 1.00 0.00 N ATOM 909 CA ARG A 90 5.813 -1.576 -4.938 1.00 0.00 C ATOM 910 C ARG A 90 5.998 -0.458 -5.966 1.00 0.00 C ATOM 911 O ARG A 90 5.535 0.650 -5.782 1.00 0.00 O ATOM 912 CB ARG A 90 7.021 -1.611 -4.000 1.00 0.00 C ATOM 913 CG ARG A 90 8.284 -1.923 -4.806 1.00 0.00 C ATOM 914 CD ARG A 90 9.491 -1.965 -3.868 1.00 0.00 C ATOM 915 NE ARG A 90 10.745 -1.909 -4.671 1.00 0.00 N ATOM 916 CZ ARG A 90 11.861 -2.365 -4.172 1.00 0.00 C ATOM 917 NH1 ARG A 90 11.934 -3.600 -3.757 1.00 0.00 N ATOM 918 NH2 ARG A 90 12.904 -1.586 -4.087 1.00 0.00 N ATOM 0 H ARG A 90 6.405 -3.572 -5.404 1.00 0.00 H new ATOM 0 HA ARG A 90 4.909 -1.391 -4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.128 -0.653 -3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.874 -2.366 -3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.175 -2.879 -5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.434 -1.165 -5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.454 -1.127 -3.172 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.469 -2.876 -3.270 1.00 0.00 H new ATOM 0 HE ARG A 90 10.731 -1.514 -5.611 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.119 -4.209 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.807 -3.956 -3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.847 -0.620 -4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.776 -1.943 -3.697 1.00 0.00 H new ATOM 932 N ASP A 91 6.672 -0.739 -7.048 1.00 0.00 N ATOM 933 CA ASP A 91 6.885 0.310 -8.086 1.00 0.00 C ATOM 934 C ASP A 91 5.532 0.867 -8.531 1.00 0.00 C ATOM 935 O ASP A 91 5.287 2.056 -8.465 1.00 0.00 O ATOM 936 CB ASP A 91 7.606 -0.302 -9.290 1.00 0.00 C ATOM 937 CG ASP A 91 7.643 0.715 -10.432 1.00 0.00 C ATOM 938 OD1 ASP A 91 7.294 1.859 -10.193 1.00 0.00 O ATOM 939 OD2 ASP A 91 8.021 0.332 -11.528 1.00 0.00 O ATOM 0 H ASP A 91 7.084 -1.648 -7.258 1.00 0.00 H new ATOM 0 HA ASP A 91 7.491 1.115 -7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 91 8.620 -0.590 -9.012 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.094 -1.208 -9.612 1.00 0.00 H new ATOM 944 N LEU A 92 4.650 0.018 -8.984 1.00 0.00 N ATOM 945 CA LEU A 92 3.314 0.501 -9.432 1.00 0.00 C ATOM 946 C LEU A 92 2.579 1.134 -8.248 1.00 0.00 C ATOM 947 O LEU A 92 1.795 2.048 -8.408 1.00 0.00 O ATOM 948 CB LEU A 92 2.498 -0.678 -9.967 1.00 0.00 C ATOM 949 CG LEU A 92 1.641 -0.213 -11.145 1.00 0.00 C ATOM 950 CD1 LEU A 92 1.494 -1.354 -12.153 1.00 0.00 C ATOM 951 CD2 LEU A 92 0.257 0.198 -10.637 1.00 0.00 C ATOM 0 H LEU A 92 4.797 -0.988 -9.063 1.00 0.00 H new ATOM 0 HA LEU A 92 3.441 1.242 -10.221 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.164 -1.481 -10.283 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.863 -1.082 -9.179 1.00 0.00 H new ATOM 0 HG LEU A 92 2.120 0.639 -11.628 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.883 -1.022 -12.992 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.479 -1.648 -12.515 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.015 -2.206 -11.671 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.355 0.530 -11.476 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.221 -0.654 -10.154 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.360 1.012 -9.919 1.00 0.00 H new ATOM 963 N LEU A 93 2.829 0.655 -7.060 1.00 0.00 N ATOM 964 CA LEU A 93 2.146 1.229 -5.866 1.00 0.00 C ATOM 965 C LEU A 93 2.470 2.720 -5.762 1.00 0.00 C ATOM 966 O LEU A 93 1.603 3.538 -5.527 1.00 0.00 O ATOM 967 CB LEU A 93 2.636 0.512 -4.606 1.00 0.00 C ATOM 968 CG LEU A 93 1.663 -0.612 -4.247 1.00 0.00 C ATOM 969 CD1 LEU A 93 2.447 -1.821 -3.735 1.00 0.00 C ATOM 970 CD2 LEU A 93 0.706 -0.127 -3.156 1.00 0.00 C ATOM 0 H LEU A 93 3.476 -0.109 -6.865 1.00 0.00 H new ATOM 0 HA LEU A 93 1.068 1.097 -5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.633 0.105 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.713 1.218 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 93 1.093 -0.896 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.754 -2.622 -3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.131 -2.166 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.016 -1.537 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.012 -0.927 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.276 0.157 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.147 0.735 -3.519 1.00 0.00 H new ATOM 982 N LYS A 94 3.712 3.080 -5.935 1.00 0.00 N ATOM 983 CA LYS A 94 4.090 4.519 -5.845 1.00 0.00 C ATOM 984 C LYS A 94 3.361 5.309 -6.933 1.00 0.00 C ATOM 985 O LYS A 94 3.031 6.465 -6.759 1.00 0.00 O ATOM 986 CB LYS A 94 5.602 4.663 -6.037 1.00 0.00 C ATOM 987 CG LYS A 94 5.993 6.136 -5.908 1.00 0.00 C ATOM 988 CD LYS A 94 7.501 6.285 -6.118 1.00 0.00 C ATOM 989 CE LYS A 94 7.908 7.741 -5.884 1.00 0.00 C ATOM 990 NZ LYS A 94 9.379 7.882 -6.069 1.00 0.00 N ATOM 0 H LYS A 94 4.481 2.441 -6.135 1.00 0.00 H new ATOM 0 HA LYS A 94 3.809 4.906 -4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.132 4.068 -5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.893 4.283 -7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.452 6.732 -6.643 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.713 6.512 -4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.041 5.631 -5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.770 5.979 -7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.379 8.394 -6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.626 8.051 -4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.656 8.872 -5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.875 7.270 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.636 7.602 -7.037 1.00 0.00 H new ATOM 1004 N SER A 95 3.108 4.695 -8.057 1.00 0.00 N ATOM 1005 CA SER A 95 2.401 5.414 -9.155 1.00 0.00 C ATOM 1006 C SER A 95 0.950 5.674 -8.744 1.00 0.00 C ATOM 1007 O SER A 95 0.556 6.798 -8.502 1.00 0.00 O ATOM 1008 CB SER A 95 2.426 4.559 -10.422 1.00 0.00 C ATOM 1009 OG SER A 95 2.363 5.406 -11.561 1.00 0.00 O ATOM 0 H SER A 95 3.360 3.728 -8.262 1.00 0.00 H new ATOM 0 HA SER A 95 2.900 6.364 -9.347 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.335 3.958 -10.451 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.585 3.865 -10.423 1.00 0.00 H new ATOM 0 HG SER A 95 2.381 4.861 -12.375 1.00 0.00 H new ATOM 1015 N LEU A 96 0.152 4.645 -8.665 1.00 0.00 N ATOM 1016 CA LEU A 96 -1.273 4.834 -8.271 1.00 0.00 C ATOM 1017 C LEU A 96 -1.353 5.804 -7.091 1.00 0.00 C ATOM 1018 O LEU A 96 -2.253 6.615 -7.002 1.00 0.00 O ATOM 1019 CB LEU A 96 -1.872 3.486 -7.865 1.00 0.00 C ATOM 1020 CG LEU A 96 -1.012 2.854 -6.770 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -1.451 3.385 -5.405 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -1.183 1.333 -6.804 1.00 0.00 C ATOM 0 H LEU A 96 0.425 3.681 -8.856 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.832 5.242 -9.114 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.892 3.623 -7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.923 2.824 -8.729 1.00 0.00 H new ATOM 0 HG LEU A 96 0.035 3.108 -6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.838 2.934 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.331 4.468 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.498 3.132 -5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.571 0.880 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.230 1.081 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.870 0.953 -7.777 1.00 0.00 H new ATOM 1034 N LEU A 97 -0.419 5.728 -6.183 1.00 0.00 N ATOM 1035 CA LEU A 97 -0.444 6.646 -5.009 1.00 0.00 C ATOM 1036 C LEU A 97 -0.295 8.092 -5.489 1.00 0.00 C ATOM 1037 O LEU A 97 -1.028 8.970 -5.079 1.00 0.00 O ATOM 1038 CB LEU A 97 0.710 6.300 -4.066 1.00 0.00 C ATOM 1039 CG LEU A 97 0.324 6.665 -2.632 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -0.878 5.825 -2.196 1.00 0.00 C ATOM 1041 CD2 LEU A 97 1.505 6.385 -1.699 1.00 0.00 C ATOM 0 H LEU A 97 0.360 5.070 -6.203 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.391 6.534 -4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.941 5.237 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.609 6.841 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 97 0.064 7.723 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.153 6.086 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.720 6.023 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.619 4.767 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.231 6.645 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.764 5.327 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.362 6.983 -2.008 1.00 0.00 H new ATOM 1053 N GLU A 98 0.649 8.346 -6.353 1.00 0.00 N ATOM 1054 CA GLU A 98 0.843 9.735 -6.857 1.00 0.00 C ATOM 1055 C GLU A 98 -0.338 10.124 -7.748 1.00 0.00 C ATOM 1056 O GLU A 98 -0.548 11.283 -8.045 1.00 0.00 O ATOM 1057 CB GLU A 98 2.139 9.806 -7.668 1.00 0.00 C ATOM 1058 CG GLU A 98 2.635 11.253 -7.712 1.00 0.00 C ATOM 1059 CD GLU A 98 4.144 11.269 -7.959 1.00 0.00 C ATOM 1060 OE1 GLU A 98 4.679 10.229 -8.307 1.00 0.00 O ATOM 1061 OE2 GLU A 98 4.740 12.321 -7.797 1.00 0.00 O ATOM 0 H GLU A 98 1.294 7.652 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 98 0.903 10.423 -6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.897 9.164 -7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.968 9.438 -8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.121 11.801 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.404 11.756 -6.773 1.00 0.00 H new ATOM 1068 N ALA A 99 -1.111 9.165 -8.178 1.00 0.00 N ATOM 1069 CA ALA A 99 -2.277 9.481 -9.050 1.00 0.00 C ATOM 1070 C ALA A 99 -3.345 10.208 -8.230 1.00 0.00 C ATOM 1071 O ALA A 99 -4.113 10.993 -8.750 1.00 0.00 O ATOM 1072 CB ALA A 99 -2.861 8.183 -9.611 1.00 0.00 C ATOM 0 H ALA A 99 -0.985 8.176 -7.963 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.953 10.119 -9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.714 8.414 -10.249 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.101 7.665 -10.195 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.185 7.545 -8.789 1.00 0.00 H new ATOM 1078 N LYS A 100 -3.400 9.954 -6.951 1.00 0.00 N ATOM 1079 CA LYS A 100 -4.419 10.630 -6.100 1.00 0.00 C ATOM 1080 C LYS A 100 -3.881 11.987 -5.641 1.00 0.00 C ATOM 1081 O LYS A 100 -4.620 12.838 -5.187 1.00 0.00 O ATOM 1082 CB LYS A 100 -4.722 9.761 -4.878 1.00 0.00 C ATOM 1083 CG LYS A 100 -5.903 8.839 -5.187 1.00 0.00 C ATOM 1084 CD LYS A 100 -5.544 7.924 -6.360 1.00 0.00 C ATOM 1085 CE LYS A 100 -5.918 6.481 -6.015 1.00 0.00 C ATOM 1086 NZ LYS A 100 -5.304 5.558 -7.011 1.00 0.00 N ATOM 0 H LYS A 100 -2.783 9.308 -6.459 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.333 10.777 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.845 9.170 -4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.954 10.391 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.151 8.242 -4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.786 9.430 -5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.072 8.243 -7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.478 7.993 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.571 6.234 -5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.002 6.365 -6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.398 4.577 -6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.789 5.662 -7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.297 5.790 -7.125 1.00 0.00 H new ATOM 1100 N GLY A 101 -2.597 12.195 -5.753 1.00 0.00 N ATOM 1101 CA GLY A 101 -2.014 13.497 -5.322 1.00 0.00 C ATOM 1102 C GLY A 101 -1.729 13.458 -3.820 1.00 0.00 C ATOM 1103 O GLY A 101 -1.499 14.474 -3.195 1.00 0.00 O ATOM 0 H GLY A 101 -1.928 11.520 -6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.094 13.695 -5.872 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.704 14.310 -5.551 1.00 0.00 H new ATOM 1107 N MET A 102 -1.744 12.291 -3.234 1.00 0.00 N ATOM 1108 CA MET A 102 -1.475 12.188 -1.772 1.00 0.00 C ATOM 1109 C MET A 102 0.033 12.067 -1.539 1.00 0.00 C ATOM 1110 O MET A 102 0.804 11.917 -2.465 1.00 0.00 O ATOM 1111 CB MET A 102 -2.179 10.952 -1.210 1.00 0.00 C ATOM 1112 CG MET A 102 -3.569 10.826 -1.836 1.00 0.00 C ATOM 1113 SD MET A 102 -4.761 10.336 -0.566 1.00 0.00 S ATOM 1114 CE MET A 102 -4.111 8.673 -0.274 1.00 0.00 C ATOM 0 H MET A 102 -1.931 11.406 -3.705 1.00 0.00 H new ATOM 0 HA MET A 102 -1.850 13.079 -1.269 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.591 10.059 -1.421 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.263 11.030 -0.126 1.00 0.00 H new ATOM 0 HG2 MET A 102 -3.866 11.775 -2.282 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.553 10.088 -2.638 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.904 7.941 -0.424 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.296 8.473 -0.970 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.740 8.602 0.748 1.00 0.00 H new ATOM 1124 N LYS A 103 0.459 12.130 -0.307 1.00 0.00 N ATOM 1125 CA LYS A 103 1.916 12.018 -0.016 1.00 0.00 C ATOM 1126 C LYS A 103 2.327 10.545 -0.033 1.00 0.00 C ATOM 1127 O LYS A 103 1.498 9.658 0.011 1.00 0.00 O ATOM 1128 CB LYS A 103 2.207 12.613 1.364 1.00 0.00 C ATOM 1129 CG LYS A 103 3.528 13.384 1.319 1.00 0.00 C ATOM 1130 CD LYS A 103 3.378 14.700 2.085 1.00 0.00 C ATOM 1131 CE LYS A 103 3.055 15.828 1.103 1.00 0.00 C ATOM 1132 NZ LYS A 103 2.585 17.024 1.858 1.00 0.00 N ATOM 0 H LYS A 103 -0.139 12.254 0.510 1.00 0.00 H new ATOM 0 HA LYS A 103 2.481 12.562 -0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.396 13.277 1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.262 11.820 2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 103 4.326 12.785 1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.810 13.583 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.585 14.612 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 103 4.298 14.926 2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 103 3.939 16.079 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.288 15.504 0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.365 17.791 1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.731 16.780 2.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.331 17.337 2.512 1.00 0.00 H new ATOM 1146 N VAL A 104 3.603 10.276 -0.098 1.00 0.00 N ATOM 1147 CA VAL A 104 4.065 8.860 -0.118 1.00 0.00 C ATOM 1148 C VAL A 104 5.312 8.718 0.756 1.00 0.00 C ATOM 1149 O VAL A 104 6.288 9.421 0.583 1.00 0.00 O ATOM 1150 CB VAL A 104 4.401 8.454 -1.554 1.00 0.00 C ATOM 1151 CG1 VAL A 104 4.514 6.931 -1.642 1.00 0.00 C ATOM 1152 CG2 VAL A 104 3.292 8.936 -2.492 1.00 0.00 C ATOM 0 H VAL A 104 4.344 10.975 -0.138 1.00 0.00 H new ATOM 0 HA VAL A 104 3.275 8.215 0.267 1.00 0.00 H new ATOM 0 HB VAL A 104 5.349 8.906 -1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.753 6.642 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.303 6.585 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.567 6.478 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.530 8.647 -3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 104 2.345 8.483 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.210 10.021 -2.431 1.00 0.00 H new ATOM 1162 N LYS A 105 5.289 7.813 1.696 1.00 0.00 N ATOM 1163 CA LYS A 105 6.474 7.626 2.580 1.00 0.00 C ATOM 1164 C LYS A 105 7.196 6.332 2.199 1.00 0.00 C ATOM 1165 O LYS A 105 7.265 5.398 2.973 1.00 0.00 O ATOM 1166 CB LYS A 105 6.015 7.544 4.038 1.00 0.00 C ATOM 1167 CG LYS A 105 6.565 8.741 4.815 1.00 0.00 C ATOM 1168 CD LYS A 105 5.415 9.468 5.515 1.00 0.00 C ATOM 1169 CE LYS A 105 5.931 10.773 6.124 1.00 0.00 C ATOM 1170 NZ LYS A 105 4.783 11.567 6.644 1.00 0.00 N ATOM 0 H LYS A 105 4.501 7.195 1.890 1.00 0.00 H new ATOM 0 HA LYS A 105 7.153 8.470 2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.926 7.534 4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.363 6.614 4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.298 8.406 5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.081 9.422 4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.616 9.677 4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.990 8.834 6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.633 10.558 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.474 11.347 5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.134 12.454 7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.129 11.783 5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.283 11.019 7.373 1.00 0.00 H new ATOM 1184 N LEU A 106 7.733 6.269 1.012 1.00 0.00 N ATOM 1185 CA LEU A 106 8.450 5.035 0.582 1.00 0.00 C ATOM 1186 C LEU A 106 9.345 4.542 1.720 1.00 0.00 C ATOM 1187 O LEU A 106 10.408 5.078 1.964 1.00 0.00 O ATOM 1188 CB LEU A 106 9.309 5.346 -0.645 1.00 0.00 C ATOM 1189 CG LEU A 106 9.154 4.226 -1.674 1.00 0.00 C ATOM 1190 CD1 LEU A 106 7.708 4.185 -2.172 1.00 0.00 C ATOM 1191 CD2 LEU A 106 10.092 4.486 -2.855 1.00 0.00 C ATOM 0 H LEU A 106 7.706 7.019 0.321 1.00 0.00 H new ATOM 0 HA LEU A 106 7.724 4.262 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.008 6.299 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.355 5.445 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 106 9.406 3.272 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.598 3.386 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.039 4.000 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.455 5.139 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.982 3.688 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.840 5.441 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.123 4.515 -2.502 1.00 0.00 H new ATOM 1203 N ALA A 107 8.924 3.524 2.420 1.00 0.00 N ATOM 1204 CA ALA A 107 9.752 2.998 3.542 1.00 0.00 C ATOM 1205 C ALA A 107 10.590 1.817 3.047 1.00 0.00 C ATOM 1206 O ALA A 107 11.493 1.359 3.718 1.00 0.00 O ATOM 1207 CB ALA A 107 8.837 2.534 4.677 1.00 0.00 C ATOM 0 H ALA A 107 8.043 3.034 2.264 1.00 0.00 H new ATOM 0 HA ALA A 107 10.412 3.785 3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.442 2.149 5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.240 3.375 5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.176 1.747 4.313 1.00 0.00 H new ATOM 1213 N GLY A 108 10.298 1.321 1.875 1.00 0.00 N ATOM 1214 CA GLY A 108 11.079 0.170 1.339 1.00 0.00 C ATOM 1215 C GLY A 108 12.072 0.671 0.289 1.00 0.00 C ATOM 1216 O GLY A 108 11.749 1.497 -0.541 1.00 0.00 O ATOM 0 H GLY A 108 9.554 1.662 1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.611 -0.330 2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 108 10.406 -0.565 0.897 1.00 0.00 H new ATOM 1220 N GLY A 109 13.280 0.178 0.319 1.00 0.00 N ATOM 1221 CA GLY A 109 14.293 0.626 -0.677 1.00 0.00 C ATOM 1222 C GLY A 109 15.680 0.624 -0.033 1.00 0.00 C ATOM 1223 O GLY A 109 15.825 0.851 1.152 1.00 0.00 O ATOM 0 H GLY A 109 13.609 -0.516 0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 109 14.282 -0.034 -1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 109 14.048 1.626 -1.035 1.00 0.00 H new ATOM 1227 N LEU A 110 16.702 0.369 -0.804 1.00 0.00 N ATOM 1228 CA LEU A 110 18.079 0.352 -0.234 1.00 0.00 C ATOM 1229 C LEU A 110 18.797 1.653 -0.598 1.00 0.00 C ATOM 1230 O LEU A 110 18.449 2.319 -1.553 1.00 0.00 O ATOM 1231 CB LEU A 110 18.854 -0.836 -0.807 1.00 0.00 C ATOM 1232 CG LEU A 110 19.051 -1.891 0.283 1.00 0.00 C ATOM 1233 CD1 LEU A 110 19.313 -3.252 -0.364 1.00 0.00 C ATOM 1234 CD2 LEU A 110 20.248 -1.504 1.155 1.00 0.00 C ATOM 0 H LEU A 110 16.643 0.172 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 110 18.022 0.259 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 110 18.312 -1.265 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 110 19.821 -0.504 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 110 18.154 -1.948 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.453 -4.003 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 110 18.462 -3.529 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 110 20.210 -3.195 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 110 20.390 -2.255 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 110 21.145 -1.447 0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 110 20.063 -0.534 1.617 1.00 0.00 H new ATOM 1246 N GLU A 111 19.798 2.020 0.155 1.00 0.00 N ATOM 1247 CA GLU A 111 20.537 3.277 -0.150 1.00 0.00 C ATOM 1248 C GLU A 111 22.041 3.031 -0.012 1.00 0.00 C ATOM 1249 O GLU A 111 22.802 3.883 -0.439 1.00 0.00 O ATOM 1250 CB GLU A 111 20.108 4.371 0.831 1.00 0.00 C ATOM 1251 CG GLU A 111 20.898 5.650 0.547 1.00 0.00 C ATOM 1252 CD GLU A 111 20.322 6.801 1.375 1.00 0.00 C ATOM 1253 OE1 GLU A 111 19.456 6.540 2.193 1.00 0.00 O ATOM 1254 OE2 GLU A 111 20.757 7.923 1.176 1.00 0.00 O ATOM 0 H GLU A 111 20.135 1.504 0.967 1.00 0.00 H new ATOM 0 HA GLU A 111 20.312 3.593 -1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 111 19.039 4.562 0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 111 20.282 4.044 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 111 21.950 5.502 0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 111 20.849 5.892 -0.515 1.00 0.00 H new TER 1261 GLU A 111