USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 504 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 HD1 : A 28 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 68 ZNZN :(H bumps) USER MOD Set 1.1: A 1 GLY N :NH3+ 169:sc= -0.0143 (180deg=-0.194) USER MOD Set 1.2: A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -4.34! K(o=-4.3!,f=-0.42) USER MOD Single : A 23 MET CE :methyl -156:sc= -1.3 (180deg=-3.67!) USER MOD Single : A 25 LYS NZ :NH3+ 146:sc= -0.258 (180deg=-1.05) USER MOD Single : A 26 GLN : amide:sc= -7.79! K(o=-7.8!,f=-1.9) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0406) USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.326) USER MOD Single : A 44 HIS : no HD1:sc= -2.37! K(o=-2.4!,f=-1.6) USER MOD Single : A 46 HIS : no HD1:sc= -0.374 K(o=-0.37,f=-1.6) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.472 USER MOD Single : A 50 LYS NZ :NH3+ -134:sc= -3.37! (180deg=-6.11!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.77 K(o=-2.8,f=-6!) USER MOD Single : A 61 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.813 28.723 -1.653 1.00 0.00 N ATOM 2 CA GLY A 1 4.608 29.221 -0.929 1.00 0.00 C ATOM 3 C GLY A 1 4.453 28.460 0.389 1.00 0.00 C ATOM 4 O GLY A 1 3.357 28.242 0.866 1.00 0.00 O ATOM 0 H1 GLY A 1 5.816 29.100 -2.622 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.671 29.037 -1.156 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.793 27.684 -1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.703 30.289 -0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.719 29.087 -1.545 1.00 0.00 H new ATOM 10 N SER A 2 5.542 28.052 0.981 1.00 0.00 N ATOM 11 CA SER A 2 5.456 27.307 2.269 1.00 0.00 C ATOM 12 C SER A 2 4.485 26.133 2.113 1.00 0.00 C ATOM 13 O SER A 2 3.318 26.235 2.434 1.00 0.00 O ATOM 14 CB SER A 2 4.952 28.241 3.368 1.00 0.00 C ATOM 15 OG SER A 2 5.101 27.606 4.630 1.00 0.00 O ATOM 0 H SER A 2 6.487 28.202 0.629 1.00 0.00 H new ATOM 0 HA SER A 2 6.443 26.932 2.538 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.511 29.176 3.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.905 28.492 3.196 1.00 0.00 H new ATOM 0 HG SER A 2 4.780 28.204 5.337 1.00 0.00 H new ATOM 21 N MET A 3 4.961 25.018 1.625 1.00 0.00 N ATOM 22 CA MET A 3 4.067 23.837 1.450 1.00 0.00 C ATOM 23 C MET A 3 4.863 22.556 1.710 1.00 0.00 C ATOM 24 O MET A 3 6.033 22.467 1.394 1.00 0.00 O ATOM 25 CB MET A 3 3.522 23.817 0.020 1.00 0.00 C ATOM 26 CG MET A 3 3.068 25.224 -0.373 1.00 0.00 C ATOM 27 SD MET A 3 2.247 25.165 -1.985 1.00 0.00 S ATOM 28 CE MET A 3 3.730 25.356 -3.004 1.00 0.00 C ATOM 0 H MET A 3 5.930 24.875 1.340 1.00 0.00 H new ATOM 0 HA MET A 3 3.237 23.900 2.154 1.00 0.00 H new ATOM 0 HB2 MET A 3 4.291 23.466 -0.669 1.00 0.00 H new ATOM 0 HB3 MET A 3 2.687 23.120 -0.052 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.387 25.621 0.380 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.925 25.896 -0.414 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.451 25.347 -4.058 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.216 26.302 -2.765 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.418 24.534 -2.804 1.00 0.00 H new ATOM 38 N GLY A 4 4.238 21.564 2.282 1.00 0.00 N ATOM 39 CA GLY A 4 4.961 20.291 2.561 1.00 0.00 C ATOM 40 C GLY A 4 4.002 19.287 3.201 1.00 0.00 C ATOM 41 O GLY A 4 3.986 19.108 4.403 1.00 0.00 O ATOM 0 H GLY A 4 3.259 21.580 2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.368 19.882 1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.805 20.478 3.225 1.00 0.00 H new ATOM 45 N VAL A 5 3.202 18.626 2.408 1.00 0.00 N ATOM 46 CA VAL A 5 2.246 17.632 2.973 1.00 0.00 C ATOM 47 C VAL A 5 1.919 16.575 1.908 1.00 0.00 C ATOM 48 O VAL A 5 1.538 16.915 0.806 1.00 0.00 O ATOM 49 CB VAL A 5 0.946 18.341 3.381 1.00 0.00 C ATOM 50 CG1 VAL A 5 -0.233 17.381 3.238 1.00 0.00 C ATOM 51 CG2 VAL A 5 1.021 18.793 4.839 1.00 0.00 C ATOM 0 H VAL A 5 3.170 18.732 1.394 1.00 0.00 H new ATOM 0 HA VAL A 5 2.697 17.157 3.844 1.00 0.00 H new ATOM 0 HB VAL A 5 0.811 19.207 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.153 17.889 3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.311 17.053 2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.077 16.515 3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.092 19.294 5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.169 17.925 5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.856 19.483 4.964 1.00 0.00 H new ATOM 61 N PRO A 6 2.055 15.324 2.273 1.00 0.00 N ATOM 62 CA PRO A 6 1.753 14.211 1.371 1.00 0.00 C ATOM 63 C PRO A 6 0.253 14.040 1.273 1.00 0.00 C ATOM 64 O PRO A 6 -0.496 14.541 2.086 1.00 0.00 O ATOM 65 CB PRO A 6 2.380 12.982 2.035 1.00 0.00 C ATOM 66 CG PRO A 6 2.826 13.409 3.454 1.00 0.00 C ATOM 67 CD PRO A 6 2.532 14.906 3.602 1.00 0.00 C ATOM 0 HA PRO A 6 2.137 14.370 0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.662 12.164 2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.231 12.623 1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.291 12.837 4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.888 13.212 3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.779 15.088 4.369 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.425 15.458 3.894 1.00 0.00 H new ATOM 75 N ILE A 7 -0.187 13.332 0.285 1.00 0.00 N ATOM 76 CA ILE A 7 -1.641 13.118 0.127 1.00 0.00 C ATOM 77 C ILE A 7 -1.901 11.653 -0.179 1.00 0.00 C ATOM 78 O ILE A 7 -1.425 11.104 -1.152 1.00 0.00 O ATOM 79 CB ILE A 7 -2.164 14.022 -0.980 1.00 0.00 C ATOM 80 CG1 ILE A 7 -2.294 15.427 -0.398 1.00 0.00 C ATOM 81 CG2 ILE A 7 -3.529 13.517 -1.434 1.00 0.00 C ATOM 82 CD1 ILE A 7 -2.669 16.434 -1.477 1.00 0.00 C ATOM 0 H ILE A 7 0.399 12.890 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.166 13.371 1.048 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.491 14.027 -1.837 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.051 15.431 0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.353 15.720 0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.910 14.160 -2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.434 12.498 -1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.221 13.531 -0.592 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.755 17.426 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.898 16.446 -2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.623 16.152 -1.923 1.00 0.00 H new ATOM 94 N CYS A 8 -2.634 11.016 0.682 1.00 0.00 N ATOM 95 CA CYS A 8 -2.918 9.576 0.501 1.00 0.00 C ATOM 96 C CYS A 8 -3.653 9.348 -0.811 1.00 0.00 C ATOM 97 O CYS A 8 -4.744 9.837 -1.027 1.00 0.00 O ATOM 98 CB CYS A 8 -3.757 9.070 1.673 1.00 0.00 C ATOM 99 SG CYS A 8 -4.235 7.349 1.384 1.00 0.00 S ATOM 0 H CYS A 8 -3.052 11.437 1.511 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.978 9.025 0.471 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.189 9.149 2.600 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.646 9.690 1.790 1.00 0.00 H new ATOM 104 N GLY A 9 -3.050 8.603 -1.687 1.00 0.00 N ATOM 105 CA GLY A 9 -3.688 8.325 -2.997 1.00 0.00 C ATOM 106 C GLY A 9 -4.972 7.533 -2.769 1.00 0.00 C ATOM 107 O GLY A 9 -5.706 7.236 -3.691 1.00 0.00 O ATOM 0 H GLY A 9 -2.136 8.171 -1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.909 9.259 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.007 7.762 -3.635 1.00 0.00 H new ATOM 111 N ALA A 10 -5.244 7.184 -1.542 1.00 0.00 N ATOM 112 CA ALA A 10 -6.477 6.405 -1.246 1.00 0.00 C ATOM 113 C ALA A 10 -7.661 7.359 -1.112 1.00 0.00 C ATOM 114 O ALA A 10 -8.718 7.138 -1.670 1.00 0.00 O ATOM 115 CB ALA A 10 -6.282 5.631 0.061 1.00 0.00 C ATOM 0 H ALA A 10 -4.665 7.405 -0.732 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.674 5.703 -2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.183 5.058 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.436 4.951 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.088 6.332 0.873 1.00 0.00 H new ATOM 121 N CYS A 11 -7.488 8.423 -0.377 1.00 0.00 N ATOM 122 CA CYS A 11 -8.594 9.408 -0.201 1.00 0.00 C ATOM 123 C CYS A 11 -8.193 10.732 -0.848 1.00 0.00 C ATOM 124 O CYS A 11 -8.942 11.687 -0.835 1.00 0.00 O ATOM 125 CB CYS A 11 -8.848 9.637 1.297 1.00 0.00 C ATOM 126 SG CYS A 11 -7.360 9.214 2.235 1.00 0.00 S ATOM 0 H CYS A 11 -6.623 8.654 0.112 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.500 9.024 -0.669 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.119 10.677 1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.687 9.027 1.632 1.00 0.00 H new ATOM 131 N ARG A 12 -7.009 10.810 -1.394 1.00 0.00 N ATOM 132 CA ARG A 12 -6.568 12.087 -2.008 1.00 0.00 C ATOM 133 C ARG A 12 -6.653 13.165 -0.931 1.00 0.00 C ATOM 134 O ARG A 12 -6.983 14.305 -1.192 1.00 0.00 O ATOM 135 CB ARG A 12 -7.483 12.455 -3.183 1.00 0.00 C ATOM 136 CG ARG A 12 -7.654 11.247 -4.110 1.00 0.00 C ATOM 137 CD ARG A 12 -6.371 11.027 -4.915 1.00 0.00 C ATOM 138 NE ARG A 12 -6.616 10.005 -5.970 1.00 0.00 N ATOM 139 CZ ARG A 12 -5.773 9.868 -6.956 1.00 0.00 C ATOM 140 NH1 ARG A 12 -4.713 10.626 -7.016 1.00 0.00 N ATOM 141 NH2 ARG A 12 -5.989 8.973 -7.881 1.00 0.00 N ATOM 0 H ARG A 12 -6.334 10.047 -1.439 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.550 11.995 -2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.455 12.779 -2.811 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.059 13.292 -3.737 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.884 10.357 -3.524 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.494 11.411 -4.785 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.049 11.964 -5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.567 10.699 -4.256 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.444 9.411 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.544 11.325 -6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.053 10.520 -7.786 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.818 8.380 -7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.329 8.867 -8.652 1.00 0.00 H new ATOM 155 N ARG A 13 -6.357 12.795 0.288 1.00 0.00 N ATOM 156 CA ARG A 13 -6.413 13.762 1.420 1.00 0.00 C ATOM 157 C ARG A 13 -4.985 13.975 1.941 1.00 0.00 C ATOM 158 O ARG A 13 -4.207 13.042 1.964 1.00 0.00 O ATOM 159 CB ARG A 13 -7.293 13.168 2.536 1.00 0.00 C ATOM 160 CG ARG A 13 -8.630 13.922 2.626 1.00 0.00 C ATOM 161 CD ARG A 13 -9.435 13.742 1.332 1.00 0.00 C ATOM 162 NE ARG A 13 -10.411 12.629 1.507 1.00 0.00 N ATOM 163 CZ ARG A 13 -11.395 12.487 0.662 1.00 0.00 C ATOM 164 NH1 ARG A 13 -11.525 13.319 -0.335 1.00 0.00 N ATOM 165 NH2 ARG A 13 -12.250 11.513 0.815 1.00 0.00 N ATOM 0 H ARG A 13 -6.075 11.850 0.549 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.834 14.714 1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.477 12.112 2.339 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.770 13.228 3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.206 13.553 3.474 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.446 14.982 2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.960 14.665 1.086 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.764 13.525 0.501 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.310 11.979 2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.857 14.081 -0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.294 13.208 -0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.149 10.863 1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.019 11.401 0.155 1.00 0.00 H new ATOM 179 N PRO A 14 -4.668 15.184 2.339 1.00 0.00 N ATOM 180 CA PRO A 14 -3.322 15.493 2.850 1.00 0.00 C ATOM 181 C PRO A 14 -2.966 14.575 4.018 1.00 0.00 C ATOM 182 O PRO A 14 -3.560 14.636 5.076 1.00 0.00 O ATOM 183 CB PRO A 14 -3.396 16.966 3.282 1.00 0.00 C ATOM 184 CG PRO A 14 -4.800 17.495 2.925 1.00 0.00 C ATOM 185 CD PRO A 14 -5.602 16.327 2.324 1.00 0.00 C ATOM 0 HA PRO A 14 -2.543 15.335 2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.214 17.059 4.353 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.628 17.551 2.776 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.299 17.885 3.812 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.729 18.317 2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.495 16.116 2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.934 16.554 1.311 1.00 0.00 H new ATOM 193 N ILE A 15 -1.988 13.723 3.833 1.00 0.00 N ATOM 194 CA ILE A 15 -1.591 12.808 4.943 1.00 0.00 C ATOM 195 C ILE A 15 -0.941 13.646 6.045 1.00 0.00 C ATOM 196 O ILE A 15 -0.510 14.757 5.810 1.00 0.00 O ATOM 197 CB ILE A 15 -0.620 11.736 4.432 1.00 0.00 C ATOM 198 CG1 ILE A 15 -1.349 10.815 3.447 1.00 0.00 C ATOM 199 CG2 ILE A 15 -0.116 10.901 5.614 1.00 0.00 C ATOM 200 CD1 ILE A 15 -0.378 10.356 2.355 1.00 0.00 C ATOM 0 H ILE A 15 -1.453 13.623 2.970 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.468 12.296 5.338 1.00 0.00 H new ATOM 0 HB ILE A 15 0.221 12.218 3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.754 9.951 3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.193 11.340 3.000 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.574 10.139 5.253 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.398 11.549 6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.961 10.421 6.107 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.899 9.701 1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.006 11.225 1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.451 9.814 2.810 1.00 0.00 H new ATOM 212 N GLU A 16 -0.882 13.148 7.251 1.00 0.00 N ATOM 213 CA GLU A 16 -0.275 13.967 8.342 1.00 0.00 C ATOM 214 C GLU A 16 -0.028 13.105 9.580 1.00 0.00 C ATOM 215 O GLU A 16 -0.664 13.265 10.603 1.00 0.00 O ATOM 216 CB GLU A 16 -1.224 15.114 8.701 1.00 0.00 C ATOM 217 CG GLU A 16 -2.665 14.603 8.705 1.00 0.00 C ATOM 218 CD GLU A 16 -3.568 15.621 9.404 1.00 0.00 C ATOM 219 OE1 GLU A 16 -3.630 15.590 10.621 1.00 0.00 O ATOM 220 OE2 GLU A 16 -4.181 16.414 8.709 1.00 0.00 O ATOM 0 H GLU A 16 -1.221 12.226 7.526 1.00 0.00 H new ATOM 0 HA GLU A 16 0.678 14.368 7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.968 15.519 9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.117 15.927 7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.007 14.440 7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.719 13.642 9.216 1.00 0.00 H new ATOM 227 N GLY A 17 0.899 12.202 9.492 1.00 0.00 N ATOM 228 CA GLY A 17 1.215 11.324 10.652 1.00 0.00 C ATOM 229 C GLY A 17 2.147 10.220 10.174 1.00 0.00 C ATOM 230 O GLY A 17 3.290 10.129 10.574 1.00 0.00 O ATOM 0 H GLY A 17 1.460 12.030 8.658 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.686 11.901 11.448 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.301 10.897 11.066 1.00 0.00 H new ATOM 234 N ARG A 18 1.659 9.399 9.299 1.00 0.00 N ATOM 235 CA ARG A 18 2.485 8.299 8.741 1.00 0.00 C ATOM 236 C ARG A 18 2.187 8.210 7.243 1.00 0.00 C ATOM 237 O ARG A 18 1.050 8.310 6.828 1.00 0.00 O ATOM 238 CB ARG A 18 2.126 6.982 9.442 1.00 0.00 C ATOM 239 CG ARG A 18 3.385 6.360 10.061 1.00 0.00 C ATOM 240 CD ARG A 18 2.989 5.231 11.022 1.00 0.00 C ATOM 241 NE ARG A 18 1.590 4.798 10.746 1.00 0.00 N ATOM 242 CZ ARG A 18 1.150 3.670 11.232 1.00 0.00 C ATOM 243 NH1 ARG A 18 1.936 2.919 11.954 1.00 0.00 N ATOM 244 NH2 ARG A 18 -0.078 3.293 10.997 1.00 0.00 N ATOM 0 H ARG A 18 0.706 9.442 8.939 1.00 0.00 H new ATOM 0 HA ARG A 18 3.547 8.488 8.899 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.381 7.164 10.217 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.681 6.289 8.728 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.033 5.971 9.276 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.953 7.122 10.595 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.670 4.388 10.906 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.077 5.572 12.054 1.00 0.00 H new ATOM 0 HE ARG A 18 0.977 5.383 10.178 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.895 3.214 12.139 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.591 2.037 12.334 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.693 3.880 10.434 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.422 2.411 11.377 1.00 0.00 H new ATOM 258 N VAL A 19 3.193 8.052 6.427 1.00 0.00 N ATOM 259 CA VAL A 19 2.951 7.992 4.953 1.00 0.00 C ATOM 260 C VAL A 19 3.571 6.736 4.354 1.00 0.00 C ATOM 261 O VAL A 19 4.488 6.153 4.899 1.00 0.00 O ATOM 262 CB VAL A 19 3.591 9.215 4.281 1.00 0.00 C ATOM 263 CG1 VAL A 19 3.271 9.210 2.777 1.00 0.00 C ATOM 264 CG2 VAL A 19 3.043 10.501 4.904 1.00 0.00 C ATOM 0 H VAL A 19 4.168 7.962 6.713 1.00 0.00 H new ATOM 0 HA VAL A 19 1.874 7.979 4.784 1.00 0.00 H new ATOM 0 HB VAL A 19 4.670 9.171 4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.728 10.080 2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.667 8.301 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.191 9.245 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.502 11.364 4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.963 10.541 4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.273 10.516 5.969 1.00 0.00 H new ATOM 274 N VAL A 20 3.089 6.342 3.209 1.00 0.00 N ATOM 275 CA VAL A 20 3.643 5.154 2.512 1.00 0.00 C ATOM 276 C VAL A 20 3.893 5.551 1.065 1.00 0.00 C ATOM 277 O VAL A 20 2.981 5.900 0.349 1.00 0.00 O ATOM 278 CB VAL A 20 2.647 3.993 2.570 1.00 0.00 C ATOM 279 CG1 VAL A 20 2.939 3.001 1.438 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.789 3.280 3.913 1.00 0.00 C ATOM 0 H VAL A 20 2.321 6.803 2.720 1.00 0.00 H new ATOM 0 HA VAL A 20 4.567 4.828 2.989 1.00 0.00 H new ATOM 0 HB VAL A 20 1.634 4.379 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.227 2.177 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.846 3.508 0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.952 2.613 1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.082 2.452 3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.804 2.897 4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.582 3.982 4.721 1.00 0.00 H new ATOM 290 N ASN A 21 5.115 5.525 0.630 1.00 0.00 N ATOM 291 CA ASN A 21 5.398 5.926 -0.771 1.00 0.00 C ATOM 292 C ASN A 21 5.248 4.716 -1.690 1.00 0.00 C ATOM 293 O ASN A 21 6.084 3.834 -1.717 1.00 0.00 O ATOM 294 CB ASN A 21 6.817 6.477 -0.865 1.00 0.00 C ATOM 295 CG ASN A 21 6.932 7.743 -0.013 1.00 0.00 C ATOM 296 OD1 ASN A 21 7.886 8.485 -0.132 1.00 0.00 O ATOM 297 ND2 ASN A 21 5.991 8.023 0.847 1.00 0.00 N ATOM 0 H ASN A 21 5.928 5.245 1.179 1.00 0.00 H new ATOM 0 HA ASN A 21 4.692 6.697 -1.079 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.532 5.729 -0.522 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.063 6.701 -1.903 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.057 8.865 1.419 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.190 7.400 0.947 1.00 0.00 H new ATOM 304 N ALA A 22 4.186 4.670 -2.443 1.00 0.00 N ATOM 305 CA ALA A 22 3.970 3.522 -3.367 1.00 0.00 C ATOM 306 C ALA A 22 3.281 4.028 -4.631 1.00 0.00 C ATOM 307 O ALA A 22 2.686 5.086 -4.639 1.00 0.00 O ATOM 308 CB ALA A 22 3.079 2.484 -2.686 1.00 0.00 C ATOM 0 H ALA A 22 3.455 5.381 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 22 4.927 3.067 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.919 1.643 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.562 2.132 -1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.119 2.936 -2.437 1.00 0.00 H new ATOM 314 N MET A 23 3.358 3.288 -5.703 1.00 0.00 N ATOM 315 CA MET A 23 2.706 3.745 -6.957 1.00 0.00 C ATOM 316 C MET A 23 3.284 5.101 -7.320 1.00 0.00 C ATOM 317 O MET A 23 2.718 5.857 -8.083 1.00 0.00 O ATOM 318 CB MET A 23 1.200 3.884 -6.737 1.00 0.00 C ATOM 319 CG MET A 23 0.660 2.663 -5.985 1.00 0.00 C ATOM 320 SD MET A 23 0.630 1.241 -7.102 1.00 0.00 S ATOM 321 CE MET A 23 1.032 -0.037 -5.886 1.00 0.00 C ATOM 0 H MET A 23 3.842 2.392 -5.763 1.00 0.00 H new ATOM 0 HA MET A 23 2.883 3.024 -7.755 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.990 4.791 -6.170 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.693 3.983 -7.697 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.287 2.448 -5.120 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.343 2.867 -5.609 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.475 -0.894 -6.392 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.740 0.362 -5.160 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.123 -0.349 -5.372 1.00 0.00 H new ATOM 331 N GLY A 24 4.401 5.411 -6.749 1.00 0.00 N ATOM 332 CA GLY A 24 5.036 6.726 -7.018 1.00 0.00 C ATOM 333 C GLY A 24 4.196 7.804 -6.339 1.00 0.00 C ATOM 334 O GLY A 24 4.270 8.973 -6.661 1.00 0.00 O ATOM 0 H GLY A 24 4.909 4.809 -6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.057 6.741 -6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.095 6.908 -8.091 1.00 0.00 H new ATOM 338 N LYS A 25 3.384 7.396 -5.401 1.00 0.00 N ATOM 339 CA LYS A 25 2.502 8.354 -4.677 1.00 0.00 C ATOM 340 C LYS A 25 2.750 8.247 -3.174 1.00 0.00 C ATOM 341 O LYS A 25 3.794 7.820 -2.729 1.00 0.00 O ATOM 342 CB LYS A 25 1.040 7.991 -4.966 1.00 0.00 C ATOM 343 CG LYS A 25 0.744 8.133 -6.469 1.00 0.00 C ATOM 344 CD LYS A 25 -0.473 9.041 -6.672 1.00 0.00 C ATOM 345 CE LYS A 25 -0.867 9.051 -8.150 1.00 0.00 C ATOM 346 NZ LYS A 25 -1.032 7.651 -8.632 1.00 0.00 N ATOM 0 H LYS A 25 3.294 6.425 -5.102 1.00 0.00 H new ATOM 0 HA LYS A 25 2.715 9.370 -5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.841 6.969 -4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.377 8.640 -4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.610 8.550 -6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.555 7.153 -6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.307 8.688 -6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.243 10.053 -6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.796 9.605 -8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.103 9.561 -8.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.790 7.616 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.142 7.323 -9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.279 7.035 -7.831 1.00 0.00 H new ATOM 360 N GLN A 26 1.778 8.628 -2.400 1.00 0.00 N ATOM 361 CA GLN A 26 1.886 8.561 -0.918 1.00 0.00 C ATOM 362 C GLN A 26 0.583 7.948 -0.408 1.00 0.00 C ATOM 363 O GLN A 26 -0.464 8.166 -0.984 1.00 0.00 O ATOM 364 CB GLN A 26 2.059 9.980 -0.374 1.00 0.00 C ATOM 365 CG GLN A 26 3.528 10.413 -0.555 1.00 0.00 C ATOM 366 CD GLN A 26 3.616 11.894 -0.943 1.00 0.00 C ATOM 367 OE1 GLN A 26 4.695 12.410 -1.158 1.00 0.00 O ATOM 368 NE2 GLN A 26 2.528 12.605 -1.046 1.00 0.00 N ATOM 0 H GLN A 26 0.889 8.993 -2.741 1.00 0.00 H new ATOM 0 HA GLN A 26 2.738 7.962 -0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.397 10.668 -0.900 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.784 10.015 0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.079 10.241 0.370 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.000 9.802 -1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.620 12.177 -0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.585 13.590 -1.306 1.00 0.00 H new ATOM 377 N TRP A 27 0.616 7.156 0.631 1.00 0.00 N ATOM 378 CA TRP A 27 -0.652 6.527 1.101 1.00 0.00 C ATOM 379 C TRP A 27 -0.686 6.466 2.624 1.00 0.00 C ATOM 380 O TRP A 27 0.298 6.142 3.259 1.00 0.00 O ATOM 381 CB TRP A 27 -0.727 5.107 0.536 1.00 0.00 C ATOM 382 CG TRP A 27 -0.570 5.153 -0.948 1.00 0.00 C ATOM 383 CD1 TRP A 27 0.607 5.242 -1.611 1.00 0.00 C ATOM 384 CD2 TRP A 27 -1.606 5.113 -1.963 1.00 0.00 C ATOM 385 NE1 TRP A 27 0.353 5.267 -2.971 1.00 0.00 N ATOM 386 CE2 TRP A 27 -1.000 5.190 -3.236 1.00 0.00 C ATOM 387 CE3 TRP A 27 -3.001 5.022 -1.894 1.00 0.00 C ATOM 388 CZ2 TRP A 27 -1.760 5.177 -4.407 1.00 0.00 C ATOM 389 CZ3 TRP A 27 -3.771 5.007 -3.063 1.00 0.00 C ATOM 390 CH2 TRP A 27 -3.152 5.086 -4.319 1.00 0.00 C ATOM 0 H TRP A 27 1.451 6.920 1.167 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.499 7.121 0.759 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.054 4.487 0.976 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.681 4.650 0.797 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.584 5.286 -1.153 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.075 5.334 -3.688 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.487 4.963 -0.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.277 5.237 -5.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.847 4.934 -2.997 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.751 5.077 -5.218 1.00 0.00 H new ATOM 401 N HIS A 28 -1.818 6.736 3.228 1.00 0.00 N ATOM 402 CA HIS A 28 -1.874 6.637 4.712 1.00 0.00 C ATOM 403 C HIS A 28 -1.406 5.225 5.065 1.00 0.00 C ATOM 404 O HIS A 28 -1.755 4.272 4.398 1.00 0.00 O ATOM 405 CB HIS A 28 -3.309 6.823 5.215 1.00 0.00 C ATOM 406 CG HIS A 28 -3.656 8.285 5.273 1.00 0.00 C ATOM 407 ND1 HIS A 28 -4.617 8.845 4.450 1.00 0.00 N ATOM 408 CD2 HIS A 28 -3.195 9.307 6.063 1.00 0.00 C ATOM 409 CE1 HIS A 28 -4.704 10.151 4.755 1.00 0.00 C ATOM 410 NE2 HIS A 28 -3.858 10.486 5.735 1.00 0.00 N ATOM 0 H HIS A 28 -2.684 7.014 2.767 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.253 7.407 5.170 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.003 6.303 4.555 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.416 6.377 6.204 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.434 9.212 6.823 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.374 10.844 4.269 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.727 11.407 6.152 1.00 0.00 H new ATOM 418 N VAL A 29 -0.623 5.067 6.083 1.00 0.00 N ATOM 419 CA VAL A 29 -0.153 3.701 6.428 1.00 0.00 C ATOM 420 C VAL A 29 -1.363 2.809 6.695 1.00 0.00 C ATOM 421 O VAL A 29 -1.270 1.598 6.683 1.00 0.00 O ATOM 422 CB VAL A 29 0.737 3.768 7.669 1.00 0.00 C ATOM 423 CG1 VAL A 29 0.804 2.391 8.333 1.00 0.00 C ATOM 424 CG2 VAL A 29 2.141 4.200 7.247 1.00 0.00 C ATOM 0 H VAL A 29 -0.288 5.815 6.690 1.00 0.00 H new ATOM 0 HA VAL A 29 0.424 3.286 5.602 1.00 0.00 H new ATOM 0 HB VAL A 29 0.325 4.485 8.379 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.439 2.444 9.217 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.199 2.079 8.625 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.219 1.668 7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.785 4.251 8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.547 3.476 6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.093 5.181 6.774 1.00 0.00 H new ATOM 434 N GLU A 30 -2.497 3.401 6.946 1.00 0.00 N ATOM 435 CA GLU A 30 -3.714 2.588 7.224 1.00 0.00 C ATOM 436 C GLU A 30 -4.517 2.378 5.933 1.00 0.00 C ATOM 437 O GLU A 30 -5.318 1.469 5.839 1.00 0.00 O ATOM 438 CB GLU A 30 -4.597 3.303 8.261 1.00 0.00 C ATOM 439 CG GLU A 30 -3.820 4.449 8.915 1.00 0.00 C ATOM 440 CD GLU A 30 -2.555 3.899 9.574 1.00 0.00 C ATOM 441 OE1 GLU A 30 -2.551 2.729 9.920 1.00 0.00 O ATOM 442 OE2 GLU A 30 -1.612 4.658 9.723 1.00 0.00 O ATOM 0 H GLU A 30 -2.634 4.411 6.971 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.403 1.620 7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.495 3.691 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.924 2.594 9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.557 5.197 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.443 4.947 9.658 1.00 0.00 H new ATOM 449 N HIS A 31 -4.329 3.215 4.946 1.00 0.00 N ATOM 450 CA HIS A 31 -5.106 3.058 3.678 1.00 0.00 C ATOM 451 C HIS A 31 -4.265 2.355 2.617 1.00 0.00 C ATOM 452 O HIS A 31 -4.761 2.003 1.565 1.00 0.00 O ATOM 453 CB HIS A 31 -5.542 4.435 3.169 1.00 0.00 C ATOM 454 CG HIS A 31 -6.341 5.122 4.243 1.00 0.00 C ATOM 455 ND1 HIS A 31 -6.497 6.503 4.306 1.00 0.00 N ATOM 456 CD2 HIS A 31 -7.048 4.620 5.309 1.00 0.00 C ATOM 457 CE1 HIS A 31 -7.273 6.772 5.373 1.00 0.00 C ATOM 458 NE2 HIS A 31 -7.635 5.662 6.017 1.00 0.00 N ATOM 0 H HIS A 31 -3.675 3.997 4.961 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.987 2.449 3.880 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.669 5.034 2.907 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.140 4.330 2.264 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.135 3.573 5.559 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.567 7.767 5.671 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.218 5.592 6.851 1.00 0.00 H new ATOM 466 N PHE A 32 -3.012 2.108 2.878 1.00 0.00 N ATOM 467 CA PHE A 32 -2.201 1.385 1.864 1.00 0.00 C ATOM 468 C PHE A 32 -2.474 -0.095 2.054 1.00 0.00 C ATOM 469 O PHE A 32 -2.000 -0.715 2.985 1.00 0.00 O ATOM 470 CB PHE A 32 -0.707 1.669 2.030 1.00 0.00 C ATOM 471 CG PHE A 32 0.008 1.188 0.787 1.00 0.00 C ATOM 472 CD1 PHE A 32 -0.329 1.723 -0.464 1.00 0.00 C ATOM 473 CD2 PHE A 32 0.982 0.188 0.877 1.00 0.00 C ATOM 474 CE1 PHE A 32 0.311 1.261 -1.618 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.619 -0.276 -0.279 1.00 0.00 C ATOM 476 CZ PHE A 32 1.284 0.260 -1.526 1.00 0.00 C ATOM 0 H PHE A 32 -2.523 2.370 3.734 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.475 1.717 0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.537 2.736 2.177 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.319 1.160 2.912 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.083 2.492 -0.536 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.243 -0.226 1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.054 1.677 -2.581 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.370 -1.049 -0.208 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.776 -0.099 -2.418 1.00 0.00 H new ATOM 486 N VAL A 33 -3.283 -0.651 1.204 1.00 0.00 N ATOM 487 CA VAL A 33 -3.656 -2.079 1.348 1.00 0.00 C ATOM 488 C VAL A 33 -3.408 -2.847 0.058 1.00 0.00 C ATOM 489 O VAL A 33 -3.054 -2.297 -0.966 1.00 0.00 O ATOM 490 CB VAL A 33 -5.152 -2.159 1.651 1.00 0.00 C ATOM 491 CG1 VAL A 33 -5.492 -1.353 2.913 1.00 0.00 C ATOM 492 CG2 VAL A 33 -5.928 -1.591 0.457 1.00 0.00 C ATOM 0 H VAL A 33 -3.706 -0.173 0.408 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.053 -2.513 2.146 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.428 -3.200 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.561 -1.422 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.938 -1.755 3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.218 -0.309 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.998 -1.642 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.639 -0.553 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.700 -2.174 -0.435 1.00 0.00 H new ATOM 502 N CYS A 34 -3.636 -4.122 0.117 1.00 0.00 N ATOM 503 CA CYS A 34 -3.473 -4.986 -1.077 1.00 0.00 C ATOM 504 C CYS A 34 -4.472 -4.566 -2.153 1.00 0.00 C ATOM 505 O CYS A 34 -5.556 -4.100 -1.863 1.00 0.00 O ATOM 506 CB CYS A 34 -3.738 -6.429 -0.660 1.00 0.00 C ATOM 507 SG CYS A 34 -4.207 -7.434 -2.092 1.00 0.00 S ATOM 0 H CYS A 34 -3.935 -4.613 0.960 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.464 -4.891 -1.479 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.847 -6.847 -0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.532 -6.457 0.086 1.00 0.00 H new ATOM 512 N ALA A 35 -4.113 -4.726 -3.394 1.00 0.00 N ATOM 513 CA ALA A 35 -5.032 -4.338 -4.495 1.00 0.00 C ATOM 514 C ALA A 35 -5.895 -5.541 -4.883 1.00 0.00 C ATOM 515 O ALA A 35 -6.339 -5.664 -6.008 1.00 0.00 O ATOM 516 CB ALA A 35 -4.196 -3.892 -5.691 1.00 0.00 C ATOM 0 H ALA A 35 -3.217 -5.111 -3.694 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.682 -3.524 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.856 -3.603 -6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.578 -3.041 -5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.556 -4.713 -6.014 1.00 0.00 H new ATOM 522 N LYS A 36 -6.130 -6.431 -3.955 1.00 0.00 N ATOM 523 CA LYS A 36 -6.960 -7.640 -4.255 1.00 0.00 C ATOM 524 C LYS A 36 -7.979 -7.863 -3.139 1.00 0.00 C ATOM 525 O LYS A 36 -9.117 -8.212 -3.380 1.00 0.00 O ATOM 526 CB LYS A 36 -6.047 -8.879 -4.327 1.00 0.00 C ATOM 527 CG LYS A 36 -6.510 -9.827 -5.447 1.00 0.00 C ATOM 528 CD LYS A 36 -6.473 -11.277 -4.954 1.00 0.00 C ATOM 529 CE LYS A 36 -7.019 -12.204 -6.043 1.00 0.00 C ATOM 530 NZ LYS A 36 -8.507 -12.133 -6.055 1.00 0.00 N ATOM 0 H LYS A 36 -5.782 -6.374 -2.998 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.475 -7.487 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.018 -8.569 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.059 -9.403 -3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.521 -9.566 -5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.866 -9.714 -6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.451 -11.560 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.066 -11.378 -4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.622 -11.913 -7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.695 -13.228 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.884 -12.859 -6.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.870 -12.298 -5.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.807 -11.192 -6.381 1.00 0.00 H new ATOM 544 N CYS A 37 -7.558 -7.699 -1.917 1.00 0.00 N ATOM 545 CA CYS A 37 -8.473 -7.940 -0.762 1.00 0.00 C ATOM 546 C CYS A 37 -8.603 -6.677 0.090 1.00 0.00 C ATOM 547 O CYS A 37 -9.500 -6.561 0.899 1.00 0.00 O ATOM 548 CB CYS A 37 -7.879 -9.059 0.087 1.00 0.00 C ATOM 549 SG CYS A 37 -6.334 -8.478 0.823 1.00 0.00 S ATOM 0 H CYS A 37 -6.614 -7.407 -1.665 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.462 -8.214 -1.129 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.581 -9.353 0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.696 -9.941 -0.527 1.00 0.00 H new ATOM 554 N GLU A 38 -7.717 -5.737 -0.081 1.00 0.00 N ATOM 555 CA GLU A 38 -7.787 -4.489 0.718 1.00 0.00 C ATOM 556 C GLU A 38 -7.369 -4.764 2.160 1.00 0.00 C ATOM 557 O GLU A 38 -8.015 -4.334 3.093 1.00 0.00 O ATOM 558 CB GLU A 38 -9.209 -3.910 0.686 1.00 0.00 C ATOM 559 CG GLU A 38 -9.809 -4.074 -0.717 1.00 0.00 C ATOM 560 CD GLU A 38 -10.803 -2.940 -0.988 1.00 0.00 C ATOM 561 OE1 GLU A 38 -11.842 -2.924 -0.348 1.00 0.00 O ATOM 562 OE2 GLU A 38 -10.508 -2.108 -1.830 1.00 0.00 O ATOM 0 H GLU A 38 -6.944 -5.782 -0.745 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.103 -3.761 0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.834 -4.418 1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.188 -2.855 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.017 -4.063 -1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.311 -5.038 -0.798 1.00 0.00 H new ATOM 569 N LYS A 39 -6.273 -5.451 2.346 1.00 0.00 N ATOM 570 CA LYS A 39 -5.781 -5.723 3.727 1.00 0.00 C ATOM 571 C LYS A 39 -4.648 -4.727 4.017 1.00 0.00 C ATOM 572 O LYS A 39 -3.595 -4.814 3.417 1.00 0.00 O ATOM 573 CB LYS A 39 -5.248 -7.157 3.818 1.00 0.00 C ATOM 574 CG LYS A 39 -6.363 -8.101 4.300 1.00 0.00 C ATOM 575 CD LYS A 39 -5.757 -9.211 5.160 1.00 0.00 C ATOM 576 CE LYS A 39 -6.758 -10.361 5.294 1.00 0.00 C ATOM 577 NZ LYS A 39 -8.035 -9.846 5.861 1.00 0.00 N ATOM 0 H LYS A 39 -5.696 -5.836 1.598 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.588 -5.611 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.882 -7.480 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.403 -7.197 4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.102 -7.544 4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.884 -8.532 3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.833 -9.571 4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.500 -8.822 6.145 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.938 -10.816 4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.349 -11.139 5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.594 -10.640 6.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.829 -9.177 6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.575 -9.362 5.116 1.00 0.00 H new ATOM 591 N PRO A 40 -4.899 -3.783 4.894 1.00 0.00 N ATOM 592 CA PRO A 40 -3.908 -2.744 5.219 1.00 0.00 C ATOM 593 C PRO A 40 -2.704 -3.318 5.948 1.00 0.00 C ATOM 594 O PRO A 40 -2.815 -4.131 6.843 1.00 0.00 O ATOM 595 CB PRO A 40 -4.649 -1.761 6.130 1.00 0.00 C ATOM 596 CG PRO A 40 -6.029 -2.370 6.449 1.00 0.00 C ATOM 597 CD PRO A 40 -6.171 -3.666 5.631 1.00 0.00 C ATOM 0 HA PRO A 40 -3.521 -2.276 4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.085 -1.589 7.047 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.761 -0.794 5.639 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.117 -2.579 7.515 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.824 -1.669 6.195 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.334 -4.527 6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.020 -3.614 4.950 1.00 0.00 H new ATOM 605 N PHE A 41 -1.552 -2.856 5.575 1.00 0.00 N ATOM 606 CA PHE A 41 -0.300 -3.315 6.240 1.00 0.00 C ATOM 607 C PHE A 41 0.065 -2.315 7.334 1.00 0.00 C ATOM 608 O PHE A 41 1.118 -1.708 7.310 1.00 0.00 O ATOM 609 CB PHE A 41 0.832 -3.387 5.223 1.00 0.00 C ATOM 610 CG PHE A 41 0.269 -3.776 3.882 1.00 0.00 C ATOM 611 CD1 PHE A 41 -0.153 -5.088 3.661 1.00 0.00 C ATOM 612 CD2 PHE A 41 0.181 -2.829 2.860 1.00 0.00 C ATOM 613 CE1 PHE A 41 -0.661 -5.458 2.410 1.00 0.00 C ATOM 614 CE2 PHE A 41 -0.328 -3.193 1.610 1.00 0.00 C ATOM 615 CZ PHE A 41 -0.747 -4.509 1.383 1.00 0.00 C ATOM 0 H PHE A 41 -1.417 -2.172 4.830 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.453 -4.305 6.669 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.336 -2.423 5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.578 -4.115 5.542 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.088 -5.817 4.455 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.506 -1.814 3.035 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.986 -6.473 2.237 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.398 -2.460 0.820 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.136 -4.793 0.416 1.00 0.00 H new ATOM 625 N LEU A 42 -0.802 -2.134 8.286 1.00 0.00 N ATOM 626 CA LEU A 42 -0.518 -1.164 9.386 1.00 0.00 C ATOM 627 C LEU A 42 0.953 -1.268 9.786 1.00 0.00 C ATOM 628 O LEU A 42 1.685 -0.298 9.770 1.00 0.00 O ATOM 629 CB LEU A 42 -1.399 -1.503 10.591 1.00 0.00 C ATOM 630 CG LEU A 42 -2.752 -0.796 10.448 1.00 0.00 C ATOM 631 CD1 LEU A 42 -3.381 -1.194 9.126 1.00 0.00 C ATOM 632 CD2 LEU A 42 -3.682 -1.208 11.589 1.00 0.00 C ATOM 0 H LEU A 42 -1.699 -2.615 8.354 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.731 -0.150 9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.545 -2.581 10.657 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.909 -1.191 11.513 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.599 0.283 10.482 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.344 -0.695 9.017 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.725 -0.899 8.307 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.527 -2.274 9.103 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.640 -0.701 11.479 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.837 -2.287 11.561 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.233 -0.931 12.543 1.00 0.00 H new ATOM 644 N GLY A 43 1.386 -2.443 10.135 1.00 0.00 N ATOM 645 CA GLY A 43 2.811 -2.637 10.532 1.00 0.00 C ATOM 646 C GLY A 43 3.365 -3.874 9.826 1.00 0.00 C ATOM 647 O GLY A 43 4.239 -4.549 10.332 1.00 0.00 O ATOM 0 H GLY A 43 0.812 -3.286 10.164 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.398 -1.758 10.266 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.887 -2.756 11.613 1.00 0.00 H new ATOM 651 N HIS A 44 2.855 -4.178 8.662 1.00 0.00 N ATOM 652 CA HIS A 44 3.343 -5.381 7.918 1.00 0.00 C ATOM 653 C HIS A 44 3.983 -4.949 6.595 1.00 0.00 C ATOM 654 O HIS A 44 3.822 -3.830 6.146 1.00 0.00 O ATOM 655 CB HIS A 44 2.164 -6.323 7.634 1.00 0.00 C ATOM 656 CG HIS A 44 1.125 -6.170 8.708 1.00 0.00 C ATOM 657 ND1 HIS A 44 -0.232 -6.144 8.428 1.00 0.00 N ATOM 658 CD2 HIS A 44 1.228 -6.034 10.069 1.00 0.00 C ATOM 659 CE1 HIS A 44 -0.886 -5.997 9.595 1.00 0.00 C ATOM 660 NE2 HIS A 44 -0.043 -5.924 10.628 1.00 0.00 N ATOM 0 H HIS A 44 2.122 -3.647 8.193 1.00 0.00 H new ATOM 0 HA HIS A 44 4.086 -5.900 8.524 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.731 -6.096 6.660 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.512 -7.355 7.595 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.155 -6.015 10.623 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.961 -5.945 9.685 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.279 -5.812 11.614 1.00 0.00 H new ATOM 668 N ARG A 45 4.708 -5.835 5.969 1.00 0.00 N ATOM 669 CA ARG A 45 5.367 -5.497 4.672 1.00 0.00 C ATOM 670 C ARG A 45 4.338 -5.590 3.543 1.00 0.00 C ATOM 671 O ARG A 45 3.371 -6.321 3.636 1.00 0.00 O ATOM 672 CB ARG A 45 6.509 -6.494 4.421 1.00 0.00 C ATOM 673 CG ARG A 45 6.848 -6.555 2.926 1.00 0.00 C ATOM 674 CD ARG A 45 8.130 -7.366 2.727 1.00 0.00 C ATOM 675 NE ARG A 45 9.236 -6.750 3.514 1.00 0.00 N ATOM 676 CZ ARG A 45 10.331 -7.422 3.738 1.00 0.00 C ATOM 677 NH1 ARG A 45 10.459 -8.636 3.273 1.00 0.00 N ATOM 678 NH2 ARG A 45 11.300 -6.882 4.425 1.00 0.00 N ATOM 0 H ARG A 45 4.874 -6.785 6.301 1.00 0.00 H new ATOM 0 HA ARG A 45 5.768 -4.484 4.707 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.391 -6.197 4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.221 -7.484 4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.027 -7.012 2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.977 -5.548 2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.974 -8.397 3.045 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.394 -7.395 1.670 1.00 0.00 H new ATOM 0 HE ARG A 45 9.136 -5.802 3.878 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.703 -9.058 2.735 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.315 -9.162 3.448 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.201 -5.934 4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.156 -7.408 4.600 1.00 0.00 H new ATOM 692 N HIS A 46 4.542 -4.865 2.471 1.00 0.00 N ATOM 693 CA HIS A 46 3.578 -4.928 1.331 1.00 0.00 C ATOM 694 C HIS A 46 4.288 -5.426 0.082 1.00 0.00 C ATOM 695 O HIS A 46 5.496 -5.548 0.038 1.00 0.00 O ATOM 696 CB HIS A 46 2.997 -3.549 1.039 1.00 0.00 C ATOM 697 CG HIS A 46 4.097 -2.526 1.037 1.00 0.00 C ATOM 698 ND1 HIS A 46 4.605 -1.979 2.205 1.00 0.00 N ATOM 699 CD2 HIS A 46 4.798 -1.940 0.011 1.00 0.00 C ATOM 700 CE1 HIS A 46 5.569 -1.106 1.857 1.00 0.00 C ATOM 701 NE2 HIS A 46 5.728 -1.044 0.532 1.00 0.00 N ATOM 0 H HIS A 46 5.332 -4.234 2.337 1.00 0.00 H new ATOM 0 HA HIS A 46 2.773 -5.610 1.606 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.490 -3.554 0.074 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.250 -3.292 1.790 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.650 -2.143 -1.039 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.144 -0.526 2.564 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.389 -0.465 0.014 1.00 0.00 H new ATOM 709 N TYR A 47 3.528 -5.731 -0.928 1.00 0.00 N ATOM 710 CA TYR A 47 4.111 -6.247 -2.190 1.00 0.00 C ATOM 711 C TYR A 47 3.453 -5.518 -3.366 1.00 0.00 C ATOM 712 O TYR A 47 2.265 -5.267 -3.359 1.00 0.00 O ATOM 713 CB TYR A 47 3.841 -7.748 -2.231 1.00 0.00 C ATOM 714 CG TYR A 47 4.251 -8.325 -0.892 1.00 0.00 C ATOM 715 CD1 TYR A 47 3.495 -8.038 0.255 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.406 -9.106 -0.783 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.895 -8.530 1.500 1.00 0.00 C ATOM 718 CE2 TYR A 47 5.806 -9.590 0.468 1.00 0.00 C ATOM 719 CZ TYR A 47 5.053 -9.301 1.606 1.00 0.00 C ATOM 720 OH TYR A 47 5.459 -9.774 2.839 1.00 0.00 O ATOM 0 H TYR A 47 2.512 -5.643 -0.931 1.00 0.00 H new ATOM 0 HA TYR A 47 5.186 -6.075 -2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.786 -7.942 -2.424 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.404 -8.216 -3.038 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.602 -7.436 0.175 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.989 -9.335 -1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.308 -8.314 2.380 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.701 -10.189 0.552 1.00 0.00 H new ATOM 0 HH TYR A 47 6.283 -10.294 2.735 1.00 0.00 H new ATOM 730 N GLU A 48 4.222 -5.134 -4.354 1.00 0.00 N ATOM 731 CA GLU A 48 3.643 -4.370 -5.506 1.00 0.00 C ATOM 732 C GLU A 48 3.635 -5.206 -6.783 1.00 0.00 C ATOM 733 O GLU A 48 4.478 -6.052 -7.003 1.00 0.00 O ATOM 734 CB GLU A 48 4.484 -3.111 -5.739 1.00 0.00 C ATOM 735 CG GLU A 48 4.064 -2.023 -4.750 1.00 0.00 C ATOM 736 CD GLU A 48 5.121 -0.917 -4.727 1.00 0.00 C ATOM 737 OE1 GLU A 48 6.047 -1.026 -3.940 1.00 0.00 O ATOM 738 OE2 GLU A 48 4.986 0.021 -5.496 1.00 0.00 O ATOM 0 H GLU A 48 5.224 -5.315 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 48 2.613 -4.109 -5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.542 -3.340 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.352 -2.758 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.097 -1.610 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.946 -2.449 -3.753 1.00 0.00 H new ATOM 745 N ARG A 49 2.676 -4.951 -7.635 1.00 0.00 N ATOM 746 CA ARG A 49 2.583 -5.701 -8.922 1.00 0.00 C ATOM 747 C ARG A 49 2.016 -4.797 -10.021 1.00 0.00 C ATOM 748 O ARG A 49 1.005 -4.147 -9.847 1.00 0.00 O ATOM 749 CB ARG A 49 1.649 -6.897 -8.748 1.00 0.00 C ATOM 750 CG ARG A 49 1.472 -7.624 -10.088 1.00 0.00 C ATOM 751 CD ARG A 49 2.547 -8.688 -10.216 1.00 0.00 C ATOM 752 NE ARG A 49 2.606 -9.178 -11.622 1.00 0.00 N ATOM 753 CZ ARG A 49 3.644 -9.854 -12.034 1.00 0.00 C ATOM 754 NH1 ARG A 49 4.629 -10.102 -11.214 1.00 0.00 N ATOM 755 NH2 ARG A 49 3.696 -10.283 -13.265 1.00 0.00 N ATOM 0 H ARG A 49 1.949 -4.250 -7.493 1.00 0.00 H new ATOM 0 HA ARG A 49 3.581 -6.037 -9.203 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.056 -7.582 -8.004 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.681 -6.562 -8.376 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.483 -8.079 -10.142 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.543 -6.916 -10.913 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.514 -8.279 -9.923 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.334 -9.517 -9.541 1.00 0.00 H new ATOM 0 HE ARG A 49 1.836 -8.985 -12.262 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.588 -9.768 -10.251 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.440 -10.630 -11.536 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.926 -10.090 -13.905 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.507 -10.811 -13.587 1.00 0.00 H new ATOM 769 N LYS A 50 2.661 -4.773 -11.156 1.00 0.00 N ATOM 770 CA LYS A 50 2.187 -3.948 -12.299 1.00 0.00 C ATOM 771 C LYS A 50 1.738 -2.593 -11.795 1.00 0.00 C ATOM 772 O LYS A 50 0.937 -1.917 -12.409 1.00 0.00 O ATOM 773 CB LYS A 50 1.035 -4.658 -13.029 1.00 0.00 C ATOM 774 CG LYS A 50 -0.201 -4.765 -12.124 1.00 0.00 C ATOM 775 CD LYS A 50 -1.422 -5.130 -12.975 1.00 0.00 C ATOM 776 CE LYS A 50 -1.128 -6.398 -13.781 1.00 0.00 C ATOM 777 NZ LYS A 50 -0.325 -6.045 -14.986 1.00 0.00 N ATOM 0 H LYS A 50 3.513 -5.302 -11.340 1.00 0.00 H new ATOM 0 HA LYS A 50 3.006 -3.811 -13.005 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.781 -4.110 -13.936 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.353 -5.654 -13.337 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.039 -5.522 -11.356 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.372 -3.820 -11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.290 -5.287 -12.335 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.667 -4.308 -13.648 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.585 -7.115 -13.166 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.061 -6.877 -14.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.723 -6.522 -15.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.350 -5.015 -15.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.659 -6.351 -14.849 1.00 0.00 H new ATOM 791 N GLY A 51 2.260 -2.186 -10.681 1.00 0.00 N ATOM 792 CA GLY A 51 1.876 -0.865 -10.137 1.00 0.00 C ATOM 793 C GLY A 51 0.658 -1.012 -9.233 1.00 0.00 C ATOM 794 O GLY A 51 -0.158 -0.120 -9.121 1.00 0.00 O ATOM 0 H GLY A 51 2.935 -2.710 -10.124 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.707 -0.437 -9.576 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.654 -0.177 -10.952 1.00 0.00 H new ATOM 798 N LEU A 52 0.534 -2.132 -8.587 1.00 0.00 N ATOM 799 CA LEU A 52 -0.622 -2.350 -7.672 1.00 0.00 C ATOM 800 C LEU A 52 -0.138 -3.087 -6.430 1.00 0.00 C ATOM 801 O LEU A 52 0.688 -3.975 -6.504 1.00 0.00 O ATOM 802 CB LEU A 52 -1.699 -3.182 -8.372 1.00 0.00 C ATOM 803 CG LEU A 52 -2.563 -2.287 -9.261 1.00 0.00 C ATOM 804 CD1 LEU A 52 -3.611 -3.156 -9.960 1.00 0.00 C ATOM 805 CD2 LEU A 52 -3.261 -1.217 -8.405 1.00 0.00 C ATOM 0 H LEU A 52 1.186 -2.913 -8.652 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.048 -1.387 -7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.232 -3.962 -8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.323 -3.681 -7.630 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.939 -1.789 -10.003 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.235 -2.531 -10.598 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.111 -3.910 -10.568 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.234 -3.647 -9.212 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.875 -0.583 -9.045 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.893 -1.702 -7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.511 -0.607 -7.902 1.00 0.00 H new ATOM 817 N ALA A 53 -0.629 -2.711 -5.287 1.00 0.00 N ATOM 818 CA ALA A 53 -0.178 -3.375 -4.035 1.00 0.00 C ATOM 819 C ALA A 53 -0.849 -4.730 -3.866 1.00 0.00 C ATOM 820 O ALA A 53 -1.946 -4.963 -4.329 1.00 0.00 O ATOM 821 CB ALA A 53 -0.541 -2.510 -2.833 1.00 0.00 C ATOM 0 H ALA A 53 -1.323 -1.973 -5.164 1.00 0.00 H new ATOM 0 HA ALA A 53 0.902 -3.510 -4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.209 -3.001 -1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.053 -1.540 -2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.621 -2.371 -2.798 1.00 0.00 H new ATOM 827 N TYR A 54 -0.191 -5.620 -3.181 1.00 0.00 N ATOM 828 CA TYR A 54 -0.772 -6.960 -2.941 1.00 0.00 C ATOM 829 C TYR A 54 -0.162 -7.540 -1.676 1.00 0.00 C ATOM 830 O TYR A 54 1.019 -7.416 -1.447 1.00 0.00 O ATOM 831 CB TYR A 54 -0.445 -7.872 -4.113 1.00 0.00 C ATOM 832 CG TYR A 54 -1.314 -7.503 -5.275 1.00 0.00 C ATOM 833 CD1 TYR A 54 -2.656 -7.874 -5.286 1.00 0.00 C ATOM 834 CD2 TYR A 54 -0.774 -6.791 -6.338 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.466 -7.525 -6.375 1.00 0.00 C ATOM 836 CE2 TYR A 54 -1.571 -6.443 -7.421 1.00 0.00 C ATOM 837 CZ TYR A 54 -2.921 -6.806 -7.445 1.00 0.00 C ATOM 838 OH TYR A 54 -3.711 -6.461 -8.522 1.00 0.00 O ATOM 0 H TYR A 54 0.733 -5.471 -2.775 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.854 -6.878 -2.833 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.606 -7.775 -4.383 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.608 -8.914 -3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.071 -8.429 -4.458 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.268 -6.507 -6.323 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.508 -7.810 -6.389 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.147 -5.891 -8.247 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.175 -5.964 -9.175 1.00 0.00 H new ATOM 848 N CYS A 55 -0.933 -8.179 -0.850 1.00 0.00 N ATOM 849 CA CYS A 55 -0.321 -8.753 0.371 1.00 0.00 C ATOM 850 C CYS A 55 0.763 -9.744 -0.074 1.00 0.00 C ATOM 851 O CYS A 55 0.903 -10.036 -1.245 1.00 0.00 O ATOM 852 CB CYS A 55 -1.360 -9.518 1.199 1.00 0.00 C ATOM 853 SG CYS A 55 -2.876 -8.554 1.357 1.00 0.00 S ATOM 0 H CYS A 55 -1.936 -8.327 -0.962 1.00 0.00 H new ATOM 0 HA CYS A 55 0.088 -7.948 0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.578 -10.475 0.725 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.956 -9.737 2.188 1.00 0.00 H new ATOM 858 N GLU A 56 1.515 -10.281 0.843 1.00 0.00 N ATOM 859 CA GLU A 56 2.569 -11.270 0.461 1.00 0.00 C ATOM 860 C GLU A 56 1.918 -12.467 -0.244 1.00 0.00 C ATOM 861 O GLU A 56 2.513 -13.113 -1.084 1.00 0.00 O ATOM 862 CB GLU A 56 3.263 -11.785 1.727 1.00 0.00 C ATOM 863 CG GLU A 56 4.317 -12.855 1.388 1.00 0.00 C ATOM 864 CD GLU A 56 5.151 -12.457 0.166 1.00 0.00 C ATOM 865 OE1 GLU A 56 4.583 -12.300 -0.900 1.00 0.00 O ATOM 866 OE2 GLU A 56 6.355 -12.338 0.316 1.00 0.00 O ATOM 0 H GLU A 56 1.449 -10.081 1.841 1.00 0.00 H new ATOM 0 HA GLU A 56 3.288 -10.787 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.739 -10.954 2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.521 -12.204 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.974 -13.004 2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.822 -13.807 1.197 1.00 0.00 H new ATOM 873 N THR A 57 0.709 -12.788 0.127 1.00 0.00 N ATOM 874 CA THR A 57 0.021 -13.966 -0.476 1.00 0.00 C ATOM 875 C THR A 57 -0.695 -13.597 -1.769 1.00 0.00 C ATOM 876 O THR A 57 -0.545 -14.263 -2.770 1.00 0.00 O ATOM 877 CB THR A 57 -0.996 -14.523 0.521 1.00 0.00 C ATOM 878 OG1 THR A 57 -0.317 -14.969 1.688 1.00 0.00 O ATOM 879 CG2 THR A 57 -1.747 -15.696 -0.113 1.00 0.00 C ATOM 0 H THR A 57 0.165 -12.282 0.826 1.00 0.00 H new ATOM 0 HA THR A 57 0.777 -14.716 -0.709 1.00 0.00 H new ATOM 0 HB THR A 57 -1.707 -13.742 0.789 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.967 -15.325 2.329 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.471 -16.092 0.599 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.267 -15.354 -1.008 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.038 -16.479 -0.382 1.00 0.00 H new ATOM 887 N HIS A 58 -1.477 -12.562 -1.769 1.00 0.00 N ATOM 888 CA HIS A 58 -2.191 -12.206 -3.012 1.00 0.00 C ATOM 889 C HIS A 58 -1.167 -11.810 -4.055 1.00 0.00 C ATOM 890 O HIS A 58 -1.250 -12.199 -5.199 1.00 0.00 O ATOM 891 CB HIS A 58 -3.168 -11.065 -2.740 1.00 0.00 C ATOM 892 CG HIS A 58 -4.264 -11.571 -1.832 1.00 0.00 C ATOM 893 ND1 HIS A 58 -4.828 -10.804 -0.813 1.00 0.00 N ATOM 894 CD2 HIS A 58 -4.902 -12.787 -1.772 1.00 0.00 C ATOM 895 CE1 HIS A 58 -5.752 -11.567 -0.199 1.00 0.00 C ATOM 896 NE2 HIS A 58 -5.837 -12.780 -0.743 1.00 0.00 N ATOM 0 H HIS A 58 -1.651 -11.953 -0.969 1.00 0.00 H new ATOM 0 HA HIS A 58 -2.766 -13.056 -3.378 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.649 -10.226 -2.275 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.591 -10.699 -3.675 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.706 -13.623 -2.427 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.353 -11.235 0.635 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -6.456 -13.541 -0.464 1.00 0.00 H new ATOM 904 N TYR A 59 -0.170 -11.079 -3.665 1.00 0.00 N ATOM 905 CA TYR A 59 0.871 -10.708 -4.631 1.00 0.00 C ATOM 906 C TYR A 59 1.363 -11.981 -5.267 1.00 0.00 C ATOM 907 O TYR A 59 1.328 -12.169 -6.466 1.00 0.00 O ATOM 908 CB TYR A 59 2.029 -10.078 -3.873 1.00 0.00 C ATOM 909 CG TYR A 59 3.221 -9.939 -4.785 1.00 0.00 C ATOM 910 CD1 TYR A 59 3.043 -9.568 -6.119 1.00 0.00 C ATOM 911 CD2 TYR A 59 4.511 -10.180 -4.292 1.00 0.00 C ATOM 912 CE1 TYR A 59 4.140 -9.435 -6.955 1.00 0.00 C ATOM 913 CE2 TYR A 59 5.616 -10.045 -5.137 1.00 0.00 C ATOM 914 CZ TYR A 59 5.431 -9.669 -6.471 1.00 0.00 C ATOM 915 OH TYR A 59 6.520 -9.536 -7.309 1.00 0.00 O ATOM 0 H TYR A 59 -0.036 -10.725 -2.718 1.00 0.00 H new ATOM 0 HA TYR A 59 0.486 -10.013 -5.377 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.736 -9.100 -3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.289 -10.693 -3.011 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.049 -9.384 -6.500 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.651 -10.470 -3.261 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.997 -9.149 -7.987 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.611 -10.231 -4.760 1.00 0.00 H new ATOM 0 HH TYR A 59 7.341 -9.734 -6.812 1.00 0.00 H new ATOM 925 N ASN A 60 1.825 -12.857 -4.439 1.00 0.00 N ATOM 926 CA ASN A 60 2.337 -14.139 -4.938 1.00 0.00 C ATOM 927 C ASN A 60 1.197 -14.912 -5.590 1.00 0.00 C ATOM 928 O ASN A 60 1.341 -15.451 -6.669 1.00 0.00 O ATOM 929 CB ASN A 60 2.914 -14.949 -3.780 1.00 0.00 C ATOM 930 CG ASN A 60 4.219 -14.309 -3.304 1.00 0.00 C ATOM 931 OD1 ASN A 60 4.845 -13.565 -4.031 1.00 0.00 O ATOM 932 ND2 ASN A 60 4.658 -14.566 -2.102 1.00 0.00 N ATOM 0 H ASN A 60 1.869 -12.736 -3.427 1.00 0.00 H new ATOM 0 HA ASN A 60 3.123 -13.959 -5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.197 -14.990 -2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.096 -15.976 -4.097 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.526 -14.142 -1.775 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.133 -15.191 -1.490 1.00 0.00 H new ATOM 939 N GLN A 61 0.054 -14.957 -4.960 1.00 0.00 N ATOM 940 CA GLN A 61 -1.082 -15.687 -5.590 1.00 0.00 C ATOM 941 C GLN A 61 -1.277 -15.097 -6.978 1.00 0.00 C ATOM 942 O GLN A 61 -1.603 -15.779 -7.930 1.00 0.00 O ATOM 943 CB GLN A 61 -2.363 -15.509 -4.765 1.00 0.00 C ATOM 944 CG GLN A 61 -3.343 -16.642 -5.086 1.00 0.00 C ATOM 945 CD GLN A 61 -2.902 -17.919 -4.367 1.00 0.00 C ATOM 946 OE1 GLN A 61 -3.368 -18.212 -3.285 1.00 0.00 O ATOM 947 NE2 GLN A 61 -2.016 -18.697 -4.928 1.00 0.00 N ATOM 0 H GLN A 61 -0.140 -14.529 -4.055 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.866 -16.754 -5.641 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.126 -15.511 -3.701 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.820 -14.545 -4.988 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.350 -16.365 -4.773 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.379 -16.812 -6.162 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.624 -18.451 -5.837 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.716 -19.551 -4.457 1.00 0.00 H new ATOM 956 N LEU A 62 -1.051 -13.821 -7.089 1.00 0.00 N ATOM 957 CA LEU A 62 -1.185 -13.139 -8.402 1.00 0.00 C ATOM 958 C LEU A 62 0.041 -13.443 -9.260 1.00 0.00 C ATOM 959 O LEU A 62 -0.038 -13.520 -10.470 1.00 0.00 O ATOM 960 CB LEU A 62 -1.273 -11.621 -8.179 1.00 0.00 C ATOM 961 CG LEU A 62 -2.735 -11.182 -8.085 1.00 0.00 C ATOM 962 CD1 LEU A 62 -3.296 -11.513 -6.706 1.00 0.00 C ATOM 963 CD2 LEU A 62 -2.830 -9.676 -8.315 1.00 0.00 C ATOM 0 H LEU A 62 -0.776 -13.214 -6.317 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.085 -13.494 -8.905 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.745 -11.350 -7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.781 -11.097 -8.998 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.312 -11.711 -8.844 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.337 -11.196 -6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.235 -12.588 -6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.717 -10.992 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.872 -9.363 -8.248 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.245 -9.155 -7.557 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.441 -9.434 -9.304 1.00 0.00 H new ATOM 975 N PHE A 63 1.177 -13.593 -8.645 1.00 0.00 N ATOM 976 CA PHE A 63 2.413 -13.865 -9.428 1.00 0.00 C ATOM 977 C PHE A 63 3.484 -14.478 -8.527 1.00 0.00 C ATOM 978 O PHE A 63 3.666 -15.678 -8.480 1.00 0.00 O ATOM 979 CB PHE A 63 2.933 -12.540 -9.994 1.00 0.00 C ATOM 980 CG PHE A 63 2.252 -12.246 -11.309 1.00 0.00 C ATOM 981 CD1 PHE A 63 2.719 -12.835 -12.490 1.00 0.00 C ATOM 982 CD2 PHE A 63 1.153 -11.384 -11.342 1.00 0.00 C ATOM 983 CE1 PHE A 63 2.084 -12.558 -13.706 1.00 0.00 C ATOM 984 CE2 PHE A 63 0.517 -11.107 -12.558 1.00 0.00 C ATOM 985 CZ PHE A 63 0.982 -11.694 -13.741 1.00 0.00 C ATOM 0 H PHE A 63 1.305 -13.539 -7.634 1.00 0.00 H new ATOM 0 HA PHE A 63 2.186 -14.563 -10.234 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.744 -11.732 -9.287 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.012 -12.593 -10.136 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.568 -13.502 -12.463 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.794 -10.931 -10.429 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.444 -13.011 -14.618 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.332 -10.440 -12.584 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.492 -11.481 -14.679 1.00 0.00 H new ATOM 995 N GLY A 64 4.200 -13.651 -7.827 1.00 0.00 N ATOM 996 CA GLY A 64 5.278 -14.158 -6.933 1.00 0.00 C ATOM 997 C GLY A 64 6.513 -14.500 -7.766 1.00 0.00 C ATOM 998 O GLY A 64 7.266 -15.397 -7.442 1.00 0.00 O ATOM 0 H GLY A 64 4.086 -12.637 -7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.528 -13.406 -6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.933 -15.041 -6.395 1.00 0.00 H new ATOM 1002 N ASP A 65 6.725 -13.790 -8.839 1.00 0.00 N ATOM 1003 CA ASP A 65 7.911 -14.071 -9.697 1.00 0.00 C ATOM 1004 C ASP A 65 7.893 -15.538 -10.128 1.00 0.00 C ATOM 1005 O ASP A 65 8.914 -16.195 -10.176 1.00 0.00 O ATOM 1006 CB ASP A 65 9.190 -13.788 -8.907 1.00 0.00 C ATOM 1007 CG ASP A 65 10.381 -13.730 -9.867 1.00 0.00 C ATOM 1008 OD1 ASP A 65 10.925 -14.779 -10.167 1.00 0.00 O ATOM 1009 OD2 ASP A 65 10.728 -12.637 -10.283 1.00 0.00 O ATOM 0 H ASP A 65 6.128 -13.027 -9.159 1.00 0.00 H new ATOM 0 HA ASP A 65 7.880 -13.433 -10.580 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.097 -12.845 -8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.349 -14.566 -8.160 1.00 0.00 H new ATOM 1014 N VAL A 66 6.738 -16.060 -10.442 1.00 0.00 N ATOM 1015 CA VAL A 66 6.656 -17.484 -10.871 1.00 0.00 C ATOM 1016 C VAL A 66 5.256 -17.773 -11.416 1.00 0.00 C ATOM 1017 O VAL A 66 5.163 -18.445 -12.430 1.00 0.00 O ATOM 1018 CB VAL A 66 6.933 -18.394 -9.672 1.00 0.00 C ATOM 1019 CG1 VAL A 66 5.844 -18.194 -8.616 1.00 0.00 C ATOM 1020 CG2 VAL A 66 6.935 -19.853 -10.131 1.00 0.00 C ATOM 1021 OXT VAL A 66 4.300 -17.316 -10.811 1.00 0.00 O ATOM 0 H VAL A 66 5.848 -15.561 -10.420 1.00 0.00 H new ATOM 0 HA VAL A 66 7.395 -17.672 -11.650 1.00 0.00 H new ATOM 0 HB VAL A 66 7.904 -18.145 -9.244 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.042 -18.842 -7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.841 -17.154 -8.289 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.873 -18.443 -9.043 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.132 -20.502 -9.278 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.964 -20.101 -10.559 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.711 -19.997 -10.883 1.00 0.00 H new TER 1031 VAL A 66 HETATM 1032 ZN ZN A 67 -5.697 7.870 3.080 1.00 0.00 ZN HETATM 1033 ZN ZN A 68 -4.395 -8.909 -0.335 1.00 0.00 ZN