USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 670 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 66:sc= -3.35 USER MOD Single : A 9 LYS NZ :NH3+ -156:sc= -0.146 (180deg=-0.64) USER MOD Single : A 11 MET CE :methyl 160:sc= -1.32 (180deg=-2.53!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -2! C(o=-3.5!,f=-2!) USER MOD Single : A 34 THR OG1 : rot -120:sc= -2.6! USER MOD Single : A 37 HIS : no HD1:sc= -3.76! C(o=-3.8!,f=-7.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= -5.32! C(o=-6.6!,f=-5.3!) USER MOD Single : A 54 MET CE :methyl -138:sc= -0.279 (180deg=-2.66!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -47:sc= 1.12 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.219 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.063 F(o=-3.1!,f=-0.063) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 160:sc= -0.153 (180deg=-0.763) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.849 17.670 7.684 1.00 0.00 N ATOM 2 CA MET A 1 10.614 16.901 7.384 1.00 0.00 C ATOM 3 C MET A 1 9.365 17.725 7.677 1.00 0.00 C ATOM 4 O MET A 1 9.364 18.579 8.564 1.00 0.00 O ATOM 5 CB MET A 1 10.616 15.631 8.237 1.00 0.00 C ATOM 6 CG MET A 1 10.654 14.351 7.418 1.00 0.00 C ATOM 7 SD MET A 1 12.276 13.563 7.434 1.00 0.00 S ATOM 8 CE MET A 1 11.845 11.895 6.947 1.00 0.00 C ATOM 0 H1 MET A 1 12.682 17.084 7.475 1.00 0.00 H new ATOM 0 H2 MET A 1 11.874 18.529 7.098 1.00 0.00 H new ATOM 0 H3 MET A 1 11.857 17.936 8.689 1.00 0.00 H new ATOM 0 HA MET A 1 10.599 16.647 6.324 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.478 15.652 8.904 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.726 15.624 8.866 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.912 13.654 7.807 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.373 14.574 6.389 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.746 11.282 6.911 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.148 11.473 7.671 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.378 11.913 5.962 1.00 0.00 H new ATOM 20 N GLY A 2 8.308 17.468 6.914 1.00 0.00 N ATOM 21 CA GLY A 2 7.060 18.186 7.096 1.00 0.00 C ATOM 22 C GLY A 2 5.951 17.613 6.234 1.00 0.00 C ATOM 23 O GLY A 2 4.852 18.164 6.169 1.00 0.00 O ATOM 0 H GLY A 2 8.294 16.771 6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.765 18.143 8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 2 7.206 19.238 6.849 1.00 0.00 H new ATOM 27 N ASP A 3 6.274 16.539 5.521 1.00 0.00 N ATOM 28 CA ASP A 3 5.316 15.871 4.647 1.00 0.00 C ATOM 29 C ASP A 3 4.627 14.711 5.357 1.00 0.00 C ATOM 30 O ASP A 3 5.126 14.198 6.359 1.00 0.00 O ATOM 31 CB ASP A 3 6.016 15.363 3.386 1.00 0.00 C ATOM 32 CG ASP A 3 5.638 16.159 2.153 1.00 0.00 C ATOM 33 OD1 ASP A 3 6.022 17.344 2.069 1.00 0.00 O ATOM 34 OD2 ASP A 3 4.957 15.596 1.269 1.00 0.00 O ATOM 0 H ASP A 3 7.199 16.110 5.532 1.00 0.00 H new ATOM 0 HA ASP A 3 4.555 16.601 4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.096 15.411 3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.762 14.315 3.230 1.00 0.00 H new ATOM 39 N VAL A 4 3.487 14.291 4.820 1.00 0.00 N ATOM 40 CA VAL A 4 2.749 13.159 5.370 1.00 0.00 C ATOM 41 C VAL A 4 2.970 11.906 4.524 1.00 0.00 C ATOM 42 O VAL A 4 2.647 11.886 3.337 1.00 0.00 O ATOM 43 CB VAL A 4 1.236 13.449 5.460 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.659 12.875 6.745 1.00 0.00 C ATOM 45 CG2 VAL A 4 0.965 14.944 5.367 1.00 0.00 C ATOM 0 H VAL A 4 3.053 14.718 4.002 1.00 0.00 H new ATOM 0 HA VAL A 4 3.130 12.993 6.378 1.00 0.00 H new ATOM 0 HB VAL A 4 0.744 12.964 4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.409 13.089 6.792 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.814 11.796 6.763 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.158 13.328 7.602 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.108 15.124 5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.470 15.457 6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.339 15.323 4.416 1.00 0.00 H new ATOM 55 N VAL A 5 3.532 10.867 5.134 1.00 0.00 N ATOM 56 CA VAL A 5 3.803 9.617 4.427 1.00 0.00 C ATOM 57 C VAL A 5 2.961 8.473 4.995 1.00 0.00 C ATOM 58 O VAL A 5 3.161 8.058 6.133 1.00 0.00 O ATOM 59 CB VAL A 5 5.303 9.248 4.509 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.522 7.749 4.335 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.097 10.029 3.472 1.00 0.00 C ATOM 0 H VAL A 5 3.809 10.864 6.116 1.00 0.00 H new ATOM 0 HA VAL A 5 3.534 9.768 3.382 1.00 0.00 H new ATOM 0 HB VAL A 5 5.659 9.519 5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.587 7.527 4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.992 7.210 5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.144 7.437 3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.151 9.759 3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.726 9.791 2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.983 11.097 3.656 1.00 0.00 H new ATOM 71 N ALA A 6 2.029 7.963 4.193 1.00 0.00 N ATOM 72 CA ALA A 6 1.180 6.853 4.622 1.00 0.00 C ATOM 73 C ALA A 6 1.771 5.525 4.161 1.00 0.00 C ATOM 74 O ALA A 6 2.683 5.503 3.338 1.00 0.00 O ATOM 75 CB ALA A 6 -0.234 7.022 4.086 1.00 0.00 C ATOM 0 H ALA A 6 1.843 8.298 3.248 1.00 0.00 H new ATOM 0 HA ALA A 6 1.135 6.854 5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.851 6.186 4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.656 7.954 4.461 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.210 7.047 2.997 1.00 0.00 H new ATOM 81 N THR A 7 1.274 4.420 4.714 1.00 0.00 N ATOM 82 CA THR A 7 1.775 3.103 4.338 1.00 0.00 C ATOM 83 C THR A 7 0.667 2.053 4.303 1.00 0.00 C ATOM 84 O THR A 7 -0.105 1.889 5.260 1.00 0.00 O ATOM 85 CB THR A 7 2.890 2.663 5.278 1.00 0.00 C ATOM 86 OG1 THR A 7 3.805 3.720 5.490 1.00 0.00 O ATOM 87 CG2 THR A 7 3.670 1.474 4.758 1.00 0.00 C ATOM 0 H THR A 7 0.534 4.411 5.416 1.00 0.00 H new ATOM 0 HA THR A 7 2.175 3.190 3.328 1.00 0.00 H new ATOM 0 HB THR A 7 2.397 2.375 6.207 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.359 4.447 5.973 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.449 1.209 5.473 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.997 0.627 4.625 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.126 1.728 3.801 1.00 0.00 H new ATOM 95 N ILE A 8 0.641 1.320 3.193 1.00 0.00 N ATOM 96 CA ILE A 8 -0.359 0.292 2.940 1.00 0.00 C ATOM 97 C ILE A 8 0.310 -1.070 2.700 1.00 0.00 C ATOM 98 O ILE A 8 0.959 -1.273 1.677 1.00 0.00 O ATOM 99 CB ILE A 8 -1.191 0.684 1.703 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.579 2.168 1.764 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.420 -0.187 1.582 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.706 2.475 2.730 1.00 0.00 C ATOM 0 H ILE A 8 1.320 1.425 2.439 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.007 0.210 3.813 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.578 0.526 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.702 2.750 2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.870 2.497 0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.991 0.109 0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.119 -1.230 1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.039 -0.069 2.472 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.919 3.544 2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.598 1.923 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.413 2.179 3.737 1.00 0.00 H new ATOM 114 N LYS A 9 0.200 -1.978 3.675 1.00 0.00 N ATOM 115 CA LYS A 9 0.837 -3.301 3.580 1.00 0.00 C ATOM 116 C LYS A 9 -0.128 -4.367 3.071 1.00 0.00 C ATOM 117 O LYS A 9 -0.865 -4.969 3.845 1.00 0.00 O ATOM 118 CB LYS A 9 1.388 -3.727 4.938 1.00 0.00 C ATOM 119 CG LYS A 9 1.561 -2.582 5.925 1.00 0.00 C ATOM 120 CD LYS A 9 3.019 -2.221 6.118 1.00 0.00 C ATOM 121 CE LYS A 9 3.727 -3.214 7.027 1.00 0.00 C ATOM 122 NZ LYS A 9 3.127 -3.244 8.389 1.00 0.00 N ATOM 0 H LYS A 9 -0.322 -1.824 4.538 1.00 0.00 H new ATOM 0 HA LYS A 9 1.652 -3.210 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.719 -4.469 5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.352 -4.214 4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.015 -1.709 5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.125 -2.860 6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.519 -2.193 5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.093 -1.220 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.677 -4.210 6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.782 -2.951 7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.833 -3.587 9.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.824 -2.286 8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.304 -3.880 8.392 1.00 0.00 H new ATOM 136 N VAL A 10 -0.096 -4.618 1.773 1.00 0.00 N ATOM 137 CA VAL A 10 -1.011 -5.582 1.155 1.00 0.00 C ATOM 138 C VAL A 10 -0.383 -6.972 1.044 1.00 0.00 C ATOM 139 O VAL A 10 0.789 -7.110 0.694 1.00 0.00 O ATOM 140 CB VAL A 10 -1.482 -5.096 -0.242 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.087 -3.641 -0.463 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.945 -5.975 -1.364 1.00 0.00 C ATOM 0 H VAL A 10 0.550 -4.172 1.122 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.880 -5.655 1.809 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.569 -5.173 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.425 -3.318 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.550 -3.018 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.003 -3.545 -0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.300 -5.598 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.145 -5.959 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.295 -6.998 -1.224 1.00 0.00 H new ATOM 152 N MET A 11 -1.175 -8.003 1.349 1.00 0.00 N ATOM 153 CA MET A 11 -0.700 -9.382 1.261 1.00 0.00 C ATOM 154 C MET A 11 -1.833 -10.343 0.862 1.00 0.00 C ATOM 155 O MET A 11 -2.902 -10.366 1.484 1.00 0.00 O ATOM 156 CB MET A 11 -0.055 -9.816 2.589 1.00 0.00 C ATOM 157 CG MET A 11 -0.997 -10.523 3.554 1.00 0.00 C ATOM 158 SD MET A 11 -0.136 -11.662 4.656 1.00 0.00 S ATOM 159 CE MET A 11 -0.525 -13.232 3.887 1.00 0.00 C ATOM 0 H MET A 11 -2.143 -7.908 1.657 1.00 0.00 H new ATOM 0 HA MET A 11 0.057 -9.426 0.478 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.783 -10.478 2.371 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.355 -8.935 3.083 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.527 -9.779 4.149 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.748 -11.071 2.986 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.194 -13.984 4.212 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.529 -13.541 4.177 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.477 -13.128 2.803 1.00 0.00 H new ATOM 169 N PRO A 12 -1.601 -11.156 -0.188 1.00 0.00 N ATOM 170 CA PRO A 12 -2.575 -12.138 -0.685 1.00 0.00 C ATOM 171 C PRO A 12 -2.721 -13.330 0.256 1.00 0.00 C ATOM 172 O PRO A 12 -1.737 -13.981 0.605 1.00 0.00 O ATOM 173 CB PRO A 12 -1.984 -12.589 -2.035 1.00 0.00 C ATOM 174 CG PRO A 12 -0.888 -11.621 -2.328 1.00 0.00 C ATOM 175 CD PRO A 12 -0.378 -11.172 -0.993 1.00 0.00 C ATOM 0 HA PRO A 12 -3.575 -11.711 -0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.603 -13.609 -1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.741 -12.576 -2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.096 -12.090 -2.912 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.256 -10.777 -2.911 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.367 -11.858 -0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.089 -10.188 -1.045 1.00 0.00 H new ATOM 183 N GLU A 13 -3.954 -13.595 0.679 1.00 0.00 N ATOM 184 CA GLU A 13 -4.235 -14.703 1.588 1.00 0.00 C ATOM 185 C GLU A 13 -3.752 -16.029 1.010 1.00 0.00 C ATOM 186 O GLU A 13 -3.347 -16.928 1.748 1.00 0.00 O ATOM 187 CB GLU A 13 -5.735 -14.778 1.879 1.00 0.00 C ATOM 188 CG GLU A 13 -6.134 -14.121 3.190 1.00 0.00 C ATOM 189 CD GLU A 13 -7.309 -13.176 3.037 1.00 0.00 C ATOM 190 OE1 GLU A 13 -8.253 -13.517 2.295 1.00 0.00 O ATOM 191 OE2 GLU A 13 -7.285 -12.093 3.660 1.00 0.00 O ATOM 0 H GLU A 13 -4.776 -13.057 0.406 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.695 -14.520 2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.279 -14.302 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.041 -15.824 1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.386 -14.893 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.282 -13.572 3.591 1.00 0.00 H new ATOM 198 N SER A 14 -3.824 -16.155 -0.311 1.00 0.00 N ATOM 199 CA SER A 14 -3.399 -17.374 -0.988 1.00 0.00 C ATOM 200 C SER A 14 -1.877 -17.436 -1.099 1.00 0.00 C ATOM 201 O SER A 14 -1.210 -16.403 -1.156 1.00 0.00 O ATOM 202 CB SER A 14 -4.028 -17.452 -2.381 1.00 0.00 C ATOM 203 OG SER A 14 -4.971 -18.506 -2.457 1.00 0.00 O ATOM 0 H SER A 14 -4.173 -15.427 -0.934 1.00 0.00 H new ATOM 0 HA SER A 14 -3.735 -18.225 -0.396 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.516 -16.506 -2.617 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.248 -17.603 -3.127 1.00 0.00 H new ATOM 0 HG SER A 14 -5.359 -18.533 -3.356 1.00 0.00 H new ATOM 209 N PRO A 15 -1.304 -18.655 -1.144 1.00 0.00 N ATOM 210 CA PRO A 15 0.147 -18.838 -1.266 1.00 0.00 C ATOM 211 C PRO A 15 0.667 -18.386 -2.627 1.00 0.00 C ATOM 212 O PRO A 15 1.867 -18.437 -2.897 1.00 0.00 O ATOM 213 CB PRO A 15 0.336 -20.346 -1.093 1.00 0.00 C ATOM 214 CG PRO A 15 -0.970 -20.940 -1.495 1.00 0.00 C ATOM 215 CD PRO A 15 -2.020 -19.944 -1.090 1.00 0.00 C ATOM 0 HA PRO A 15 0.697 -18.245 -0.535 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.149 -20.717 -1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.585 -20.598 -0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.001 -21.125 -2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.131 -21.899 -1.002 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.872 -19.959 -1.769 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.405 -20.149 -0.091 1.00 0.00 H new ATOM 223 N ASP A 16 -0.254 -17.960 -3.485 1.00 0.00 N ATOM 224 CA ASP A 16 0.094 -17.469 -4.811 1.00 0.00 C ATOM 225 C ASP A 16 0.310 -15.964 -4.769 1.00 0.00 C ATOM 226 O ASP A 16 -0.162 -15.229 -5.636 1.00 0.00 O ATOM 227 CB ASP A 16 -1.007 -17.816 -5.815 1.00 0.00 C ATOM 228 CG ASP A 16 -0.485 -18.605 -7.000 1.00 0.00 C ATOM 229 OD1 ASP A 16 -0.065 -17.975 -7.993 1.00 0.00 O ATOM 230 OD2 ASP A 16 -0.496 -19.851 -6.934 1.00 0.00 O ATOM 0 H ASP A 16 -1.254 -17.946 -3.282 1.00 0.00 H new ATOM 0 HA ASP A 16 1.018 -17.951 -5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.784 -18.393 -5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.472 -16.897 -6.171 1.00 0.00 H new ATOM 235 N VAL A 17 1.027 -15.521 -3.744 1.00 0.00 N ATOM 236 CA VAL A 17 1.292 -14.102 -3.536 1.00 0.00 C ATOM 237 C VAL A 17 2.150 -13.517 -4.662 1.00 0.00 C ATOM 238 O VAL A 17 3.360 -13.340 -4.511 1.00 0.00 O ATOM 239 CB VAL A 17 1.996 -13.868 -2.182 1.00 0.00 C ATOM 240 CG1 VAL A 17 2.413 -12.412 -2.012 1.00 0.00 C ATOM 241 CG2 VAL A 17 1.092 -14.303 -1.040 1.00 0.00 C ATOM 0 H VAL A 17 1.439 -16.130 -3.037 1.00 0.00 H new ATOM 0 HA VAL A 17 0.328 -13.594 -3.535 1.00 0.00 H new ATOM 0 HB VAL A 17 2.903 -14.472 -2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.905 -12.285 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.102 -12.135 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.531 -11.773 -2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.599 -14.133 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.168 -13.725 -1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.860 -15.363 -1.143 1.00 0.00 H new ATOM 251 N ASP A 18 1.520 -13.247 -5.801 1.00 0.00 N ATOM 252 CA ASP A 18 2.214 -12.639 -6.931 1.00 0.00 C ATOM 253 C ASP A 18 2.542 -11.184 -6.617 1.00 0.00 C ATOM 254 O ASP A 18 1.709 -10.300 -6.809 1.00 0.00 O ATOM 255 CB ASP A 18 1.356 -12.726 -8.195 1.00 0.00 C ATOM 256 CG ASP A 18 1.176 -14.152 -8.674 1.00 0.00 C ATOM 257 OD1 ASP A 18 2.103 -14.680 -9.325 1.00 0.00 O ATOM 258 OD2 ASP A 18 0.110 -14.741 -8.399 1.00 0.00 O ATOM 0 H ASP A 18 0.532 -13.439 -5.966 1.00 0.00 H new ATOM 0 HA ASP A 18 3.142 -13.183 -7.106 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.379 -12.286 -7.998 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.818 -12.136 -8.986 1.00 0.00 H new ATOM 263 N LEU A 19 3.726 -10.951 -6.061 1.00 0.00 N ATOM 264 CA LEU A 19 4.135 -9.604 -5.681 1.00 0.00 C ATOM 265 C LEU A 19 4.273 -8.701 -6.901 1.00 0.00 C ATOM 266 O LEU A 19 3.918 -7.525 -6.851 1.00 0.00 O ATOM 267 CB LEU A 19 5.438 -9.630 -4.852 1.00 0.00 C ATOM 268 CG LEU A 19 6.760 -9.845 -5.612 1.00 0.00 C ATOM 269 CD1 LEU A 19 6.654 -11.002 -6.597 1.00 0.00 C ATOM 270 CD2 LEU A 19 7.201 -8.566 -6.314 1.00 0.00 C ATOM 0 H LEU A 19 4.417 -11.675 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 19 3.350 -9.186 -5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.511 -8.687 -4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.346 -10.420 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 19 7.523 -10.107 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.604 -11.126 -7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.413 -11.918 -6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.869 -10.791 -7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.137 -8.745 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.435 -8.259 -7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.347 -7.778 -5.576 1.00 0.00 H new ATOM 282 N GLU A 20 4.743 -9.263 -8.009 1.00 0.00 N ATOM 283 CA GLU A 20 4.930 -8.489 -9.225 1.00 0.00 C ATOM 284 C GLU A 20 3.586 -8.106 -9.813 1.00 0.00 C ATOM 285 O GLU A 20 3.409 -6.997 -10.316 1.00 0.00 O ATOM 286 CB GLU A 20 5.750 -9.280 -10.247 1.00 0.00 C ATOM 287 CG GLU A 20 4.965 -10.372 -10.955 1.00 0.00 C ATOM 288 CD GLU A 20 5.751 -11.024 -12.074 1.00 0.00 C ATOM 289 OE1 GLU A 20 6.801 -11.637 -11.784 1.00 0.00 O ATOM 290 OE2 GLU A 20 5.319 -10.921 -13.242 1.00 0.00 O ATOM 0 H GLU A 20 5.000 -10.247 -8.088 1.00 0.00 H new ATOM 0 HA GLU A 20 5.477 -7.580 -8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.147 -8.590 -10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.605 -9.730 -9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.673 -11.132 -10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.046 -9.949 -11.361 1.00 0.00 H new ATOM 297 N ALA A 21 2.637 -9.030 -9.745 1.00 0.00 N ATOM 298 CA ALA A 21 1.292 -8.757 -10.218 1.00 0.00 C ATOM 299 C ALA A 21 0.601 -7.803 -9.260 1.00 0.00 C ATOM 300 O ALA A 21 -0.209 -6.966 -9.662 1.00 0.00 O ATOM 301 CB ALA A 21 0.499 -10.046 -10.369 1.00 0.00 C ATOM 0 H ALA A 21 2.775 -9.968 -9.369 1.00 0.00 H new ATOM 0 HA ALA A 21 1.349 -8.290 -11.201 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.505 -9.816 -10.724 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.997 -10.698 -11.087 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.436 -10.549 -9.404 1.00 0.00 H new ATOM 307 N LEU A 22 0.934 -7.947 -7.985 1.00 0.00 N ATOM 308 CA LEU A 22 0.407 -7.075 -6.950 1.00 0.00 C ATOM 309 C LEU A 22 0.931 -5.668 -7.165 1.00 0.00 C ATOM 310 O LEU A 22 0.249 -4.684 -6.891 1.00 0.00 O ATOM 311 CB LEU A 22 0.824 -7.591 -5.567 1.00 0.00 C ATOM 312 CG LEU A 22 -0.149 -7.322 -4.405 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.479 -6.757 -4.894 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.377 -8.595 -3.610 1.00 0.00 C ATOM 0 H LEU A 22 1.572 -8.666 -7.643 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.682 -7.065 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.979 -8.668 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.787 -7.146 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 22 0.307 -6.571 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.135 -6.582 -4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.305 -5.817 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.949 -7.468 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.067 -8.394 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.801 -9.360 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.572 -8.947 -3.207 1.00 0.00 H new ATOM 326 N LYS A 23 2.152 -5.598 -7.680 1.00 0.00 N ATOM 327 CA LYS A 23 2.801 -4.334 -7.972 1.00 0.00 C ATOM 328 C LYS A 23 1.952 -3.510 -8.924 1.00 0.00 C ATOM 329 O LYS A 23 1.745 -2.313 -8.715 1.00 0.00 O ATOM 330 CB LYS A 23 4.176 -4.595 -8.590 1.00 0.00 C ATOM 331 CG LYS A 23 5.328 -4.428 -7.612 1.00 0.00 C ATOM 332 CD LYS A 23 6.528 -3.768 -8.271 1.00 0.00 C ATOM 333 CE LYS A 23 7.754 -4.664 -8.213 1.00 0.00 C ATOM 334 NZ LYS A 23 9.008 -3.879 -8.038 1.00 0.00 N ATOM 0 H LYS A 23 2.717 -6.417 -7.905 1.00 0.00 H new ATOM 0 HA LYS A 23 2.922 -3.775 -7.044 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.197 -5.608 -8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.322 -3.915 -9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.002 -3.827 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.618 -5.403 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.293 -3.537 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.743 -2.822 -7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.649 -5.370 -7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.818 -5.251 -9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.821 -4.527 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.122 -3.223 -8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.958 -3.338 -7.151 1.00 0.00 H new ATOM 348 N LYS A 24 1.452 -4.163 -9.967 1.00 0.00 N ATOM 349 CA LYS A 24 0.605 -3.497 -10.945 1.00 0.00 C ATOM 350 C LYS A 24 -0.708 -3.064 -10.309 1.00 0.00 C ATOM 351 O LYS A 24 -1.190 -1.955 -10.547 1.00 0.00 O ATOM 352 CB LYS A 24 0.330 -4.424 -12.132 1.00 0.00 C ATOM 353 CG LYS A 24 1.573 -5.122 -12.663 1.00 0.00 C ATOM 354 CD LYS A 24 1.282 -5.875 -13.950 1.00 0.00 C ATOM 355 CE LYS A 24 1.415 -7.377 -13.761 1.00 0.00 C ATOM 356 NZ LYS A 24 0.217 -8.109 -14.257 1.00 0.00 N ATOM 0 H LYS A 24 1.619 -5.151 -10.155 1.00 0.00 H new ATOM 0 HA LYS A 24 1.129 -2.611 -11.303 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.399 -5.177 -11.832 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.123 -3.845 -12.937 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.357 -4.386 -12.840 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.951 -5.816 -11.912 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.274 -5.638 -14.291 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.968 -5.543 -14.729 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.301 -7.732 -14.288 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.563 -7.598 -12.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.348 -9.130 -14.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.625 -7.789 -13.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.090 -7.919 -15.272 1.00 0.00 H new ATOM 370 N GLU A 25 -1.289 -3.950 -9.503 1.00 0.00 N ATOM 371 CA GLU A 25 -2.549 -3.653 -8.830 1.00 0.00 C ATOM 372 C GLU A 25 -2.364 -2.523 -7.829 1.00 0.00 C ATOM 373 O GLU A 25 -3.290 -1.758 -7.555 1.00 0.00 O ATOM 374 CB GLU A 25 -3.077 -4.901 -8.119 1.00 0.00 C ATOM 375 CG GLU A 25 -3.467 -6.022 -9.067 1.00 0.00 C ATOM 376 CD GLU A 25 -4.005 -7.240 -8.342 1.00 0.00 C ATOM 377 OE1 GLU A 25 -4.996 -7.098 -7.595 1.00 0.00 O ATOM 378 OE2 GLU A 25 -3.437 -8.338 -8.523 1.00 0.00 O ATOM 0 H GLU A 25 -0.909 -4.875 -9.301 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.275 -3.340 -9.580 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.315 -5.267 -7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.944 -4.627 -7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.221 -5.657 -9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.598 -6.311 -9.659 1.00 0.00 H new ATOM 385 N ILE A 26 -1.159 -2.436 -7.282 1.00 0.00 N ATOM 386 CA ILE A 26 -0.827 -1.412 -6.304 1.00 0.00 C ATOM 387 C ILE A 26 -0.986 -0.018 -6.899 1.00 0.00 C ATOM 388 O ILE A 26 -1.538 0.878 -6.261 1.00 0.00 O ATOM 389 CB ILE A 26 0.612 -1.593 -5.775 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.632 -2.630 -4.652 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.182 -0.270 -5.283 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.932 -3.393 -4.556 1.00 0.00 C ATOM 0 H ILE A 26 -0.390 -3.069 -7.502 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.521 -1.520 -5.470 1.00 0.00 H new ATOM 0 HB ILE A 26 1.237 -1.946 -6.595 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.444 -2.129 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.184 -3.336 -4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.196 -0.425 -4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.199 0.447 -6.104 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.559 0.117 -4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.873 -4.111 -3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.113 -3.923 -5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.750 -2.697 -4.370 1.00 0.00 H new ATOM 404 N GLN A 27 -0.470 0.169 -8.107 1.00 0.00 N ATOM 405 CA GLN A 27 -0.556 1.458 -8.774 1.00 0.00 C ATOM 406 C GLN A 27 -2.010 1.854 -8.994 1.00 0.00 C ATOM 407 O GLN A 27 -2.371 3.025 -8.881 1.00 0.00 O ATOM 408 CB GLN A 27 0.185 1.416 -10.112 1.00 0.00 C ATOM 409 CG GLN A 27 1.657 1.063 -9.980 1.00 0.00 C ATOM 410 CD GLN A 27 2.567 2.248 -10.239 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.252 3.382 -9.622 1.00 0.00 O flip ATOM 412 NE2 GLN A 27 3.541 2.146 -10.985 1.00 0.00 N flip ATOM 0 H GLN A 27 0.011 -0.554 -8.642 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.086 2.205 -8.134 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.298 0.687 -10.763 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.095 2.387 -10.599 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.846 0.677 -8.978 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.899 0.264 -10.680 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.745 1.255 -11.438 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.144 2.952 -11.150 1.00 0.00 H new ATOM 421 N GLU A 28 -2.838 0.868 -9.321 1.00 0.00 N ATOM 422 CA GLU A 28 -4.255 1.110 -9.573 1.00 0.00 C ATOM 423 C GLU A 28 -5.019 1.335 -8.273 1.00 0.00 C ATOM 424 O GLU A 28 -6.096 1.931 -8.272 1.00 0.00 O ATOM 425 CB GLU A 28 -4.865 -0.071 -10.331 1.00 0.00 C ATOM 426 CG GLU A 28 -3.972 -0.616 -11.434 1.00 0.00 C ATOM 427 CD GLU A 28 -4.532 -1.875 -12.068 1.00 0.00 C ATOM 428 OE1 GLU A 28 -5.231 -2.635 -11.366 1.00 0.00 O ATOM 429 OE2 GLU A 28 -4.269 -2.102 -13.268 1.00 0.00 O ATOM 0 H GLU A 28 -2.553 -0.107 -9.418 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.336 2.013 -10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.084 -0.871 -9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.815 0.239 -10.765 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.843 0.147 -12.202 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.984 -0.828 -11.025 1.00 0.00 H new ATOM 436 N ARG A 29 -4.470 0.832 -7.174 1.00 0.00 N ATOM 437 CA ARG A 29 -5.127 0.940 -5.879 1.00 0.00 C ATOM 438 C ARG A 29 -4.707 2.201 -5.124 1.00 0.00 C ATOM 439 O ARG A 29 -5.313 2.550 -4.110 1.00 0.00 O ATOM 440 CB ARG A 29 -4.834 -0.309 -5.045 1.00 0.00 C ATOM 441 CG ARG A 29 -3.513 -0.257 -4.300 1.00 0.00 C ATOM 442 CD ARG A 29 -3.466 -1.306 -3.203 1.00 0.00 C ATOM 443 NE ARG A 29 -2.197 -1.290 -2.483 1.00 0.00 N ATOM 444 CZ ARG A 29 -1.789 -0.275 -1.728 1.00 0.00 C ATOM 445 NH1 ARG A 29 -2.549 0.804 -1.589 1.00 0.00 N ATOM 446 NH2 ARG A 29 -0.620 -0.342 -1.109 1.00 0.00 N ATOM 0 H ARG A 29 -3.573 0.346 -7.154 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.200 1.017 -6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.640 -0.450 -4.325 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.836 -1.180 -5.700 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.691 -0.418 -4.998 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.374 0.734 -3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.282 -1.134 -2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.623 -2.293 -3.639 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.588 -2.104 -2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.451 0.857 -2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.231 1.580 -1.008 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.035 -1.171 -1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.305 0.436 -0.529 1.00 0.00 H new ATOM 460 N ILE A 30 -3.661 2.876 -5.603 1.00 0.00 N ATOM 461 CA ILE A 30 -3.188 4.097 -4.950 1.00 0.00 C ATOM 462 C ILE A 30 -4.283 5.164 -4.923 1.00 0.00 C ATOM 463 O ILE A 30 -4.964 5.381 -5.925 1.00 0.00 O ATOM 464 CB ILE A 30 -1.938 4.687 -5.644 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.758 3.712 -5.572 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.558 6.026 -5.021 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.473 3.190 -4.178 1.00 0.00 C ATOM 0 H ILE A 30 -3.131 2.602 -6.430 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.920 3.813 -3.932 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.183 4.849 -6.694 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.957 2.867 -6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.134 4.209 -5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.676 6.424 -5.523 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.386 6.727 -5.131 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.340 5.886 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.376 2.507 -4.212 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.240 4.025 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.349 2.662 -3.801 1.00 0.00 H new ATOM 479 N PRO A 31 -4.446 5.871 -3.785 1.00 0.00 N ATOM 480 CA PRO A 31 -5.442 6.936 -3.647 1.00 0.00 C ATOM 481 C PRO A 31 -5.429 7.899 -4.833 1.00 0.00 C ATOM 482 O PRO A 31 -4.407 8.518 -5.134 1.00 0.00 O ATOM 483 CB PRO A 31 -5.031 7.662 -2.355 1.00 0.00 C ATOM 484 CG PRO A 31 -3.726 7.064 -1.938 1.00 0.00 C ATOM 485 CD PRO A 31 -3.683 5.694 -2.544 1.00 0.00 C ATOM 0 HA PRO A 31 -6.456 6.538 -3.615 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.931 8.734 -2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.785 7.532 -1.579 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.890 7.671 -2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.651 7.012 -0.852 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.661 5.368 -2.739 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.136 4.947 -1.892 1.00 0.00 H new ATOM 493 N GLU A 32 -6.569 8.004 -5.510 1.00 0.00 N ATOM 494 CA GLU A 32 -6.710 8.869 -6.681 1.00 0.00 C ATOM 495 C GLU A 32 -6.337 10.321 -6.365 1.00 0.00 C ATOM 496 O GLU A 32 -6.163 11.136 -7.272 1.00 0.00 O ATOM 497 CB GLU A 32 -8.146 8.779 -7.219 1.00 0.00 C ATOM 498 CG GLU A 32 -8.832 10.120 -7.428 1.00 0.00 C ATOM 499 CD GLU A 32 -10.055 10.018 -8.317 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.890 9.749 -9.526 1.00 0.00 O ATOM 501 OE2 GLU A 32 -11.178 10.207 -7.806 1.00 0.00 O ATOM 0 H GLU A 32 -7.418 7.495 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.016 8.522 -7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.131 8.242 -8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.742 8.185 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.124 10.529 -6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.124 10.821 -7.870 1.00 0.00 H new ATOM 508 N GLY A 33 -6.172 10.631 -5.083 1.00 0.00 N ATOM 509 CA GLY A 33 -5.846 11.990 -4.692 1.00 0.00 C ATOM 510 C GLY A 33 -4.372 12.313 -4.852 1.00 0.00 C ATOM 511 O GLY A 33 -4.019 13.398 -5.313 1.00 0.00 O ATOM 0 H GLY A 33 -6.258 9.969 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.432 12.686 -5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.136 12.143 -3.652 1.00 0.00 H new ATOM 515 N THR A 34 -3.510 11.375 -4.472 1.00 0.00 N ATOM 516 CA THR A 34 -2.069 11.579 -4.580 1.00 0.00 C ATOM 517 C THR A 34 -1.398 10.392 -5.272 1.00 0.00 C ATOM 518 O THR A 34 -1.995 9.748 -6.134 1.00 0.00 O ATOM 519 CB THR A 34 -1.462 11.798 -3.191 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.481 11.970 -2.224 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.545 12.999 -3.115 1.00 0.00 C ATOM 0 H THR A 34 -3.782 10.470 -4.088 1.00 0.00 H new ATOM 0 HA THR A 34 -1.894 12.467 -5.187 1.00 0.00 H new ATOM 0 HB THR A 34 -0.871 10.904 -2.990 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.384 12.848 -1.799 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.152 13.093 -2.103 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.281 12.871 -3.815 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.103 13.899 -3.372 1.00 0.00 H new ATOM 529 N GLU A 35 -0.155 10.113 -4.889 1.00 0.00 N ATOM 530 CA GLU A 35 0.605 9.015 -5.478 1.00 0.00 C ATOM 531 C GLU A 35 1.355 8.239 -4.405 1.00 0.00 C ATOM 532 O GLU A 35 1.357 8.618 -3.233 1.00 0.00 O ATOM 533 CB GLU A 35 1.595 9.553 -6.514 1.00 0.00 C ATOM 534 CG GLU A 35 0.978 10.525 -7.506 1.00 0.00 C ATOM 535 CD GLU A 35 1.259 10.149 -8.947 1.00 0.00 C ATOM 536 OE1 GLU A 35 2.393 9.711 -9.237 1.00 0.00 O ATOM 537 OE2 GLU A 35 0.348 10.294 -9.789 1.00 0.00 O ATOM 0 H GLU A 35 0.348 10.634 -4.171 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.097 8.341 -5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.415 10.050 -5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.025 8.714 -7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.100 10.563 -7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.363 11.526 -7.315 1.00 0.00 H new ATOM 544 N LEU A 36 1.996 7.157 -4.820 1.00 0.00 N ATOM 545 CA LEU A 36 2.738 6.306 -3.896 1.00 0.00 C ATOM 546 C LEU A 36 4.054 6.961 -3.475 1.00 0.00 C ATOM 547 O LEU A 36 4.328 8.110 -3.822 1.00 0.00 O ATOM 548 CB LEU A 36 3.019 4.934 -4.522 1.00 0.00 C ATOM 549 CG LEU A 36 2.869 4.860 -6.043 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.032 5.560 -6.730 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.771 3.412 -6.499 1.00 0.00 C ATOM 0 H LEU A 36 2.019 6.845 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 36 2.119 6.170 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.034 4.636 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.346 4.204 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 36 1.948 5.372 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.907 5.497 -7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.056 6.607 -6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.967 5.078 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.665 3.378 -7.583 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.674 2.876 -6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.904 2.942 -6.035 1.00 0.00 H new ATOM 563 N HIS A 37 4.843 6.227 -2.695 1.00 0.00 N ATOM 564 CA HIS A 37 6.127 6.713 -2.201 1.00 0.00 C ATOM 565 C HIS A 37 7.218 5.683 -2.440 1.00 0.00 C ATOM 566 O HIS A 37 8.086 5.858 -3.296 1.00 0.00 O ATOM 567 CB HIS A 37 6.034 6.999 -0.703 1.00 0.00 C ATOM 568 CG HIS A 37 7.296 7.552 -0.113 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.632 8.878 -0.244 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.262 6.918 0.595 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.785 9.023 0.382 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.205 7.863 0.906 1.00 0.00 N ATOM 0 H HIS A 37 4.611 5.282 -2.389 1.00 0.00 H new ATOM 0 HA HIS A 37 6.374 7.628 -2.739 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.222 7.705 -0.527 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.774 6.078 -0.182 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.285 5.872 0.862 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.321 9.957 0.462 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.063 7.712 1.436 1.00 0.00 H new ATOM 580 N LYS A 38 7.128 4.589 -1.695 1.00 0.00 N ATOM 581 CA LYS A 38 8.098 3.504 -1.776 1.00 0.00 C ATOM 582 C LYS A 38 7.510 2.230 -1.180 1.00 0.00 C ATOM 583 O LYS A 38 7.015 2.232 -0.054 1.00 0.00 O ATOM 584 CB LYS A 38 9.378 3.875 -1.021 1.00 0.00 C ATOM 585 CG LYS A 38 10.340 4.740 -1.819 1.00 0.00 C ATOM 586 CD LYS A 38 10.790 4.049 -3.098 1.00 0.00 C ATOM 587 CE LYS A 38 12.297 4.140 -3.280 1.00 0.00 C ATOM 588 NZ LYS A 38 12.910 2.803 -3.509 1.00 0.00 N ATOM 0 H LYS A 38 6.382 4.429 -1.018 1.00 0.00 H new ATOM 0 HA LYS A 38 8.339 3.335 -2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.108 4.401 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.890 2.960 -0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.859 5.686 -2.067 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.211 4.976 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.488 3.002 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.291 4.504 -3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.522 4.792 -4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.742 4.597 -2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.938 2.908 -3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.717 2.188 -2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.504 2.377 -4.366 1.00 0.00 H new ATOM 602 N ILE A 39 7.554 1.148 -1.950 1.00 0.00 N ATOM 603 CA ILE A 39 6.991 -0.122 -1.508 1.00 0.00 C ATOM 604 C ILE A 39 8.035 -0.986 -0.805 1.00 0.00 C ATOM 605 O ILE A 39 9.238 -0.804 -0.992 1.00 0.00 O ATOM 606 CB ILE A 39 6.383 -0.904 -2.682 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.606 0.050 -3.599 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.482 -2.009 -2.153 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.679 -0.644 -4.576 1.00 0.00 C ATOM 0 H ILE A 39 7.972 1.125 -2.880 1.00 0.00 H new ATOM 0 HA ILE A 39 6.201 0.117 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 39 7.181 -1.363 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.021 0.732 -2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.317 0.657 -4.159 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.053 -2.561 -2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.066 -2.688 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.680 -1.571 -1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.169 0.102 -5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.258 -1.305 -5.221 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.942 -1.229 -4.026 1.00 0.00 H new ATOM 621 N ASP A 40 7.559 -1.922 0.016 1.00 0.00 N ATOM 622 CA ASP A 40 8.439 -2.804 0.773 1.00 0.00 C ATOM 623 C ASP A 40 8.057 -4.267 0.586 1.00 0.00 C ATOM 624 O ASP A 40 6.969 -4.682 0.972 1.00 0.00 O ATOM 625 CB ASP A 40 8.365 -2.458 2.257 1.00 0.00 C ATOM 626 CG ASP A 40 9.730 -2.416 2.914 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.577 -1.612 2.473 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.952 -3.188 3.871 1.00 0.00 O ATOM 0 H ASP A 40 6.565 -2.087 0.172 1.00 0.00 H new ATOM 0 HA ASP A 40 9.453 -2.660 0.401 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.878 -1.490 2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.743 -3.193 2.767 1.00 0.00 H new ATOM 633 N GLU A 41 8.976 -5.060 0.051 1.00 0.00 N ATOM 634 CA GLU A 41 8.727 -6.484 -0.143 1.00 0.00 C ATOM 635 C GLU A 41 8.986 -7.251 1.152 1.00 0.00 C ATOM 636 O GLU A 41 9.987 -7.955 1.282 1.00 0.00 O ATOM 637 CB GLU A 41 9.615 -7.031 -1.265 1.00 0.00 C ATOM 638 CG GLU A 41 9.792 -6.066 -2.428 1.00 0.00 C ATOM 639 CD GLU A 41 10.574 -6.674 -3.576 1.00 0.00 C ATOM 640 OE1 GLU A 41 10.071 -7.632 -4.197 1.00 0.00 O ATOM 641 OE2 GLU A 41 11.690 -6.188 -3.855 1.00 0.00 O ATOM 0 H GLU A 41 9.896 -4.744 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 41 7.683 -6.617 -0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.595 -7.276 -0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.184 -7.960 -1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.812 -5.752 -2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.305 -5.171 -2.078 1.00 0.00 H new ATOM 648 N GLU A 42 8.089 -7.080 2.122 1.00 0.00 N ATOM 649 CA GLU A 42 8.219 -7.743 3.416 1.00 0.00 C ATOM 650 C GLU A 42 7.379 -9.015 3.460 1.00 0.00 C ATOM 651 O GLU A 42 6.216 -9.005 3.072 1.00 0.00 O ATOM 652 CB GLU A 42 7.797 -6.800 4.543 1.00 0.00 C ATOM 653 CG GLU A 42 8.954 -6.339 5.411 1.00 0.00 C ATOM 654 CD GLU A 42 8.579 -6.233 6.876 1.00 0.00 C ATOM 655 OE1 GLU A 42 7.454 -5.777 7.169 1.00 0.00 O ATOM 656 OE2 GLU A 42 9.411 -6.603 7.730 1.00 0.00 O ATOM 0 H GLU A 42 7.264 -6.487 2.035 1.00 0.00 H new ATOM 0 HA GLU A 42 9.266 -8.014 3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.306 -5.927 4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.060 -7.302 5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.785 -7.036 5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.304 -5.369 5.058 1.00 0.00 H new ATOM 663 N PRO A 43 7.956 -10.132 3.933 1.00 0.00 N ATOM 664 CA PRO A 43 7.258 -11.408 3.994 1.00 0.00 C ATOM 665 C PRO A 43 6.474 -11.590 5.285 1.00 0.00 C ATOM 666 O PRO A 43 6.769 -10.964 6.302 1.00 0.00 O ATOM 667 CB PRO A 43 8.393 -12.424 3.895 1.00 0.00 C ATOM 668 CG PRO A 43 9.606 -11.733 4.441 1.00 0.00 C ATOM 669 CD PRO A 43 9.337 -10.244 4.420 1.00 0.00 C ATOM 0 HA PRO A 43 6.509 -11.505 3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.164 -13.323 4.467 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.551 -12.735 2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.813 -12.070 5.457 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.484 -11.971 3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.446 -9.806 5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.034 -9.723 3.763 1.00 0.00 H new ATOM 677 N ILE A 44 5.455 -12.438 5.218 1.00 0.00 N ATOM 678 CA ILE A 44 4.585 -12.689 6.359 1.00 0.00 C ATOM 679 C ILE A 44 4.533 -14.176 6.693 1.00 0.00 C ATOM 680 O ILE A 44 5.233 -14.645 7.591 1.00 0.00 O ATOM 681 CB ILE A 44 3.158 -12.175 6.083 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.203 -10.984 5.114 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.467 -11.792 7.384 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.862 -9.747 5.690 1.00 0.00 C ATOM 0 H ILE A 44 5.210 -12.966 4.380 1.00 0.00 H new ATOM 0 HA ILE A 44 5.000 -12.151 7.211 1.00 0.00 H new ATOM 0 HB ILE A 44 2.581 -12.974 5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.738 -11.282 4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.185 -10.735 4.813 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.461 -11.432 7.169 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.409 -12.664 8.035 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.036 -11.006 7.880 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.855 -8.951 4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.315 -9.422 6.575 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.891 -9.978 5.965 1.00 0.00 H new ATOM 696 N ALA A 45 3.697 -14.914 5.967 1.00 0.00 N ATOM 697 CA ALA A 45 3.562 -16.351 6.175 1.00 0.00 C ATOM 698 C ALA A 45 4.840 -17.085 5.767 1.00 0.00 C ATOM 699 O ALA A 45 5.929 -16.510 5.791 1.00 0.00 O ATOM 700 CB ALA A 45 2.368 -16.885 5.397 1.00 0.00 C ATOM 0 H ALA A 45 3.102 -14.539 5.228 1.00 0.00 H new ATOM 0 HA ALA A 45 3.396 -16.529 7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.278 -17.959 5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.460 -16.389 5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.510 -16.691 4.334 1.00 0.00 H new ATOM 706 N PHE A 46 4.699 -18.349 5.381 1.00 0.00 N ATOM 707 CA PHE A 46 5.844 -19.149 4.962 1.00 0.00 C ATOM 708 C PHE A 46 6.353 -18.690 3.600 1.00 0.00 C ATOM 709 O PHE A 46 7.538 -18.815 3.294 1.00 0.00 O ATOM 710 CB PHE A 46 5.464 -20.630 4.906 1.00 0.00 C ATOM 711 CG PHE A 46 5.635 -21.343 6.217 1.00 0.00 C ATOM 712 CD1 PHE A 46 6.889 -21.759 6.636 1.00 0.00 C ATOM 713 CD2 PHE A 46 4.543 -21.594 7.032 1.00 0.00 C ATOM 714 CE1 PHE A 46 7.050 -22.413 7.843 1.00 0.00 C ATOM 715 CE2 PHE A 46 4.698 -22.247 8.240 1.00 0.00 C ATOM 716 CZ PHE A 46 5.953 -22.658 8.645 1.00 0.00 C ATOM 0 H PHE A 46 3.806 -18.840 5.350 1.00 0.00 H new ATOM 0 HA PHE A 46 6.641 -19.014 5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.426 -20.719 4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.074 -21.125 4.150 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.750 -21.570 6.012 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.559 -21.276 6.720 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.032 -22.732 8.158 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.839 -22.436 8.867 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.076 -23.170 9.588 1.00 0.00 H new ATOM 726 N GLY A 47 5.450 -18.136 2.795 1.00 0.00 N ATOM 727 CA GLY A 47 5.824 -17.653 1.477 1.00 0.00 C ATOM 728 C GLY A 47 4.946 -16.507 1.005 1.00 0.00 C ATOM 729 O GLY A 47 5.063 -16.057 -0.135 1.00 0.00 O ATOM 0 H GLY A 47 4.466 -18.013 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.864 -17.326 1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.760 -18.473 0.762 1.00 0.00 H new ATOM 733 N LEU A 48 4.066 -16.038 1.884 1.00 0.00 N ATOM 734 CA LEU A 48 3.160 -14.947 1.560 1.00 0.00 C ATOM 735 C LEU A 48 3.781 -13.604 1.931 1.00 0.00 C ATOM 736 O LEU A 48 3.730 -13.184 3.087 1.00 0.00 O ATOM 737 CB LEU A 48 1.831 -15.141 2.292 1.00 0.00 C ATOM 738 CG LEU A 48 0.936 -16.252 1.727 1.00 0.00 C ATOM 739 CD1 LEU A 48 1.563 -17.619 1.946 1.00 0.00 C ATOM 740 CD2 LEU A 48 -0.447 -16.196 2.353 1.00 0.00 C ATOM 0 H LEU A 48 3.963 -16.401 2.832 1.00 0.00 H new ATOM 0 HA LEU A 48 2.977 -14.951 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.039 -15.360 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.279 -14.202 2.266 1.00 0.00 H new ATOM 0 HG LEU A 48 0.837 -16.091 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.909 -18.389 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.530 -17.660 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.700 -17.790 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.066 -16.992 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.363 -16.325 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.905 -15.231 2.138 1.00 0.00 H new ATOM 752 N VAL A 49 4.371 -12.937 0.943 1.00 0.00 N ATOM 753 CA VAL A 49 5.044 -11.662 1.171 1.00 0.00 C ATOM 754 C VAL A 49 4.127 -10.472 0.907 1.00 0.00 C ATOM 755 O VAL A 49 3.567 -10.330 -0.180 1.00 0.00 O ATOM 756 CB VAL A 49 6.299 -11.536 0.283 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.960 -10.175 0.459 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.282 -12.655 0.592 1.00 0.00 C ATOM 0 H VAL A 49 4.397 -13.259 -0.025 1.00 0.00 H new ATOM 0 HA VAL A 49 5.333 -11.648 2.222 1.00 0.00 H new ATOM 0 HB VAL A 49 5.989 -11.625 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.842 -10.114 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.256 -9.390 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.255 -10.046 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.162 -12.552 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.581 -12.598 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.808 -13.618 0.402 1.00 0.00 H new ATOM 768 N ALA A 50 4.039 -9.581 1.891 1.00 0.00 N ATOM 769 CA ALA A 50 3.238 -8.371 1.769 1.00 0.00 C ATOM 770 C ALA A 50 4.099 -7.195 1.334 1.00 0.00 C ATOM 771 O ALA A 50 5.244 -7.057 1.763 1.00 0.00 O ATOM 772 CB ALA A 50 2.565 -8.038 3.090 1.00 0.00 C ATOM 0 H ALA A 50 4.517 -9.678 2.787 1.00 0.00 H new ATOM 0 HA ALA A 50 2.475 -8.554 1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.971 -7.131 2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.916 -8.862 3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.324 -7.882 3.856 1.00 0.00 H new ATOM 778 N LEU A 51 3.539 -6.343 0.491 1.00 0.00 N ATOM 779 CA LEU A 51 4.255 -5.170 0.017 1.00 0.00 C ATOM 780 C LEU A 51 3.716 -3.914 0.686 1.00 0.00 C ATOM 781 O LEU A 51 2.530 -3.599 0.582 1.00 0.00 O ATOM 782 CB LEU A 51 4.152 -5.059 -1.508 1.00 0.00 C ATOM 783 CG LEU A 51 3.837 -6.368 -2.243 1.00 0.00 C ATOM 784 CD1 LEU A 51 3.803 -6.140 -3.746 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.849 -7.450 -1.893 1.00 0.00 C ATOM 0 H LEU A 51 2.593 -6.441 0.122 1.00 0.00 H new ATOM 0 HA LEU A 51 5.307 -5.275 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.378 -4.330 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.093 -4.664 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 51 2.853 -6.707 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.578 -7.079 -4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.034 -5.406 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.773 -5.771 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.601 -8.367 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.848 -7.121 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.824 -7.638 -0.820 1.00 0.00 H new ATOM 797 N ASN A 52 4.597 -3.211 1.386 1.00 0.00 N ATOM 798 CA ASN A 52 4.222 -2.000 2.095 1.00 0.00 C ATOM 799 C ASN A 52 4.380 -0.789 1.193 1.00 0.00 C ATOM 800 O ASN A 52 5.448 -0.180 1.126 1.00 0.00 O ATOM 801 CB ASN A 52 5.082 -1.834 3.349 1.00 0.00 C ATOM 802 CG ASN A 52 5.376 -3.156 4.034 1.00 0.00 C ATOM 803 OD1 ASN A 52 4.413 -4.073 4.000 1.00 0.00 O flip ATOM 804 ND2 ASN A 52 6.455 -3.352 4.592 1.00 0.00 N flip ATOM 0 H ASN A 52 5.581 -3.463 1.477 1.00 0.00 H new ATOM 0 HA ASN A 52 3.176 -2.082 2.392 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.022 -1.352 3.079 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.573 -1.171 4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.167 -2.622 4.595 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.637 -4.244 5.051 1.00 0.00 H new ATOM 811 N VAL A 53 3.300 -0.446 0.513 1.00 0.00 N ATOM 812 CA VAL A 53 3.300 0.671 -0.412 1.00 0.00 C ATOM 813 C VAL A 53 3.001 1.979 0.303 1.00 0.00 C ATOM 814 O VAL A 53 1.858 2.255 0.668 1.00 0.00 O ATOM 815 CB VAL A 53 2.262 0.472 -1.530 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.483 1.474 -2.651 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.307 -0.955 -2.057 1.00 0.00 C ATOM 0 H VAL A 53 2.405 -0.930 0.586 1.00 0.00 H new ATOM 0 HA VAL A 53 4.298 0.716 -0.849 1.00 0.00 H new ATOM 0 HB VAL A 53 1.270 0.646 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.739 1.317 -3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.388 2.486 -2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.481 1.339 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.565 -1.075 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.299 -1.164 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.089 -1.650 -1.246 1.00 0.00 H new ATOM 827 N MET A 54 4.028 2.803 0.448 1.00 0.00 N ATOM 828 CA MET A 54 3.884 4.096 1.096 1.00 0.00 C ATOM 829 C MET A 54 3.398 5.132 0.096 1.00 0.00 C ATOM 830 O MET A 54 3.333 4.861 -1.102 1.00 0.00 O ATOM 831 CB MET A 54 5.218 4.539 1.701 1.00 0.00 C ATOM 832 CG MET A 54 5.589 3.791 2.970 1.00 0.00 C ATOM 833 SD MET A 54 7.369 3.751 3.258 1.00 0.00 S ATOM 834 CE MET A 54 7.542 2.165 4.073 1.00 0.00 C ATOM 0 H MET A 54 4.973 2.597 0.124 1.00 0.00 H new ATOM 0 HA MET A 54 3.149 4.004 1.896 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.007 4.398 0.962 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.172 5.606 1.919 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.098 4.262 3.821 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.212 2.770 2.909 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.238 2.258 4.906 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.571 1.840 4.446 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.922 1.431 3.363 1.00 0.00 H new ATOM 844 N VAL A 55 2.994 6.293 0.596 1.00 0.00 N ATOM 845 CA VAL A 55 2.479 7.350 -0.263 1.00 0.00 C ATOM 846 C VAL A 55 2.945 8.725 0.209 1.00 0.00 C ATOM 847 O VAL A 55 2.942 9.018 1.405 1.00 0.00 O ATOM 848 CB VAL A 55 0.934 7.322 -0.325 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.429 5.897 -0.480 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.324 7.968 0.910 1.00 0.00 C ATOM 0 H VAL A 55 3.013 6.526 1.589 1.00 0.00 H new ATOM 0 HA VAL A 55 2.875 7.168 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 55 0.625 7.898 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.660 5.899 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.826 5.468 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.758 5.300 0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.763 7.934 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.647 7.428 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.651 9.006 0.977 1.00 0.00 H new ATOM 860 N VAL A 56 3.368 9.559 -0.737 1.00 0.00 N ATOM 861 CA VAL A 56 3.810 10.911 -0.412 1.00 0.00 C ATOM 862 C VAL A 56 2.680 11.911 -0.612 1.00 0.00 C ATOM 863 O VAL A 56 2.241 12.147 -1.737 1.00 0.00 O ATOM 864 CB VAL A 56 5.018 11.356 -1.258 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.063 12.020 -0.375 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.616 10.184 -2.021 1.00 0.00 C ATOM 0 H VAL A 56 3.414 9.324 -1.729 1.00 0.00 H new ATOM 0 HA VAL A 56 4.113 10.889 0.635 1.00 0.00 H new ATOM 0 HB VAL A 56 4.672 12.084 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.911 12.330 -0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.627 12.893 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.400 11.314 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.467 10.529 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.947 9.422 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.863 9.760 -2.686 1.00 0.00 H new ATOM 876 N VAL A 57 2.208 12.491 0.483 1.00 0.00 N ATOM 877 CA VAL A 57 1.140 13.479 0.419 1.00 0.00 C ATOM 878 C VAL A 57 1.506 14.728 1.214 1.00 0.00 C ATOM 879 O VAL A 57 2.072 14.639 2.304 1.00 0.00 O ATOM 880 CB VAL A 57 -0.198 12.911 0.936 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.581 11.659 0.163 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.126 12.621 2.426 1.00 0.00 C ATOM 0 H VAL A 57 2.547 12.295 1.425 1.00 0.00 H new ATOM 0 HA VAL A 57 1.016 13.744 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.970 13.664 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.527 11.273 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.685 11.902 -0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.195 10.903 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.082 12.222 2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.661 11.891 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.095 13.542 2.966 1.00 0.00 H new ATOM 892 N GLY A 58 1.202 15.891 0.651 1.00 0.00 N ATOM 893 CA GLY A 58 1.510 17.140 1.319 1.00 0.00 C ATOM 894 C GLY A 58 0.866 18.330 0.639 1.00 0.00 C ATOM 895 O GLY A 58 0.054 19.033 1.240 1.00 0.00 O ATOM 0 H GLY A 58 0.747 15.991 -0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.172 17.089 2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.591 17.279 1.343 1.00 0.00 H new ATOM 899 N ASP A 59 1.219 18.548 -0.624 1.00 0.00 N ATOM 900 CA ASP A 59 0.653 19.649 -1.392 1.00 0.00 C ATOM 901 C ASP A 59 -0.719 19.270 -1.929 1.00 0.00 C ATOM 902 O ASP A 59 -1.481 20.124 -2.382 1.00 0.00 O ATOM 903 CB ASP A 59 1.583 20.031 -2.547 1.00 0.00 C ATOM 904 CG ASP A 59 2.881 20.649 -2.066 1.00 0.00 C ATOM 905 OD1 ASP A 59 3.457 20.135 -1.083 1.00 0.00 O ATOM 906 OD2 ASP A 59 3.324 21.647 -2.672 1.00 0.00 O ATOM 0 H ASP A 59 1.893 17.978 -1.135 1.00 0.00 H new ATOM 0 HA ASP A 59 0.546 20.509 -0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.804 19.144 -3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.071 20.734 -3.204 1.00 0.00 H new ATOM 911 N ALA A 60 -1.021 17.980 -1.869 1.00 0.00 N ATOM 912 CA ALA A 60 -2.303 17.465 -2.328 1.00 0.00 C ATOM 913 C ALA A 60 -3.441 17.942 -1.425 1.00 0.00 C ATOM 914 O ALA A 60 -3.393 19.046 -0.883 1.00 0.00 O ATOM 915 CB ALA A 60 -2.256 15.947 -2.380 1.00 0.00 C ATOM 0 H ALA A 60 -0.390 17.267 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.495 17.848 -3.330 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.217 15.565 -2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.472 15.631 -3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.045 15.555 -1.385 1.00 0.00 H new ATOM 921 N GLU A 61 -4.457 17.100 -1.259 1.00 0.00 N ATOM 922 CA GLU A 61 -5.601 17.436 -0.419 1.00 0.00 C ATOM 923 C GLU A 61 -6.168 16.188 0.243 1.00 0.00 C ATOM 924 O GLU A 61 -5.495 15.159 0.332 1.00 0.00 O ATOM 925 CB GLU A 61 -6.690 18.123 -1.247 1.00 0.00 C ATOM 926 CG GLU A 61 -6.571 17.884 -2.745 1.00 0.00 C ATOM 927 CD GLU A 61 -7.484 18.786 -3.551 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.599 19.084 -3.073 1.00 0.00 O ATOM 929 OE2 GLU A 61 -7.084 19.196 -4.660 1.00 0.00 O ATOM 0 H GLU A 61 -4.511 16.180 -1.696 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.260 18.121 0.357 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.665 17.771 -0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.655 19.196 -1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.539 18.047 -3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.809 16.843 -2.964 1.00 0.00 H new ATOM 936 N GLY A 62 -7.415 16.277 0.693 1.00 0.00 N ATOM 937 CA GLY A 62 -8.060 15.136 1.311 1.00 0.00 C ATOM 938 C GLY A 62 -8.593 14.175 0.272 1.00 0.00 C ATOM 939 O GLY A 62 -9.375 13.276 0.583 1.00 0.00 O ATOM 0 H GLY A 62 -7.989 17.118 0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.349 14.620 1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.877 15.478 1.946 1.00 0.00 H new ATOM 943 N GLY A 63 -8.161 14.370 -0.972 1.00 0.00 N ATOM 944 CA GLY A 63 -8.596 13.515 -2.059 1.00 0.00 C ATOM 945 C GLY A 63 -8.019 12.117 -1.965 1.00 0.00 C ATOM 946 O GLY A 63 -8.319 11.259 -2.796 1.00 0.00 O ATOM 0 H GLY A 63 -7.514 15.110 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.684 13.456 -2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.303 13.962 -3.009 1.00 0.00 H new ATOM 950 N THR A 64 -7.187 11.886 -0.953 1.00 0.00 N ATOM 951 CA THR A 64 -6.587 10.573 -0.750 1.00 0.00 C ATOM 952 C THR A 64 -7.612 9.609 -0.173 1.00 0.00 C ATOM 953 O THR A 64 -7.349 8.415 -0.031 1.00 0.00 O ATOM 954 CB THR A 64 -5.374 10.663 0.177 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.776 10.600 1.535 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.564 11.928 -0.007 1.00 0.00 C ATOM 0 H THR A 64 -6.915 12.588 -0.265 1.00 0.00 H new ATOM 0 HA THR A 64 -6.252 10.200 -1.718 1.00 0.00 H new ATOM 0 HB THR A 64 -4.746 9.813 -0.090 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.987 10.657 2.113 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.720 11.923 0.683 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.195 11.978 -1.031 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.193 12.795 0.195 1.00 0.00 H new ATOM 964 N GLU A 65 -8.784 10.143 0.160 1.00 0.00 N ATOM 965 CA GLU A 65 -9.879 9.337 0.683 1.00 0.00 C ATOM 966 C GLU A 65 -10.197 8.197 -0.269 1.00 0.00 C ATOM 967 O GLU A 65 -10.747 7.168 0.125 1.00 0.00 O ATOM 968 CB GLU A 65 -11.119 10.205 0.867 1.00 0.00 C ATOM 969 CG GLU A 65 -11.506 10.982 -0.380 1.00 0.00 C ATOM 970 CD GLU A 65 -13.007 11.064 -0.571 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.675 11.722 0.253 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.515 10.470 -1.545 1.00 0.00 O ATOM 0 H GLU A 65 -8.999 11.137 0.076 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.578 8.923 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.955 9.572 1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.944 10.906 1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.095 11.990 -0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.057 10.508 -1.253 1.00 0.00 H new ATOM 979 N ALA A 66 -9.832 8.398 -1.525 1.00 0.00 N ATOM 980 CA ALA A 66 -10.076 7.411 -2.570 1.00 0.00 C ATOM 981 C ALA A 66 -9.443 6.073 -2.215 1.00 0.00 C ATOM 982 O ALA A 66 -9.938 5.021 -2.613 1.00 0.00 O ATOM 983 CB ALA A 66 -9.537 7.912 -3.902 1.00 0.00 C ATOM 0 H ALA A 66 -9.361 9.243 -1.850 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.153 7.265 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.725 7.166 -4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.035 8.844 -4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.464 8.085 -3.818 1.00 0.00 H new ATOM 989 N ALA A 67 -8.375 6.116 -1.424 1.00 0.00 N ATOM 990 CA ALA A 67 -7.690 4.899 -1.005 1.00 0.00 C ATOM 991 C ALA A 67 -8.632 4.012 -0.202 1.00 0.00 C ATOM 992 O ALA A 67 -8.864 2.857 -0.557 1.00 0.00 O ATOM 993 CB ALA A 67 -6.453 5.241 -0.190 1.00 0.00 C ATOM 0 H ALA A 67 -7.967 6.978 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.375 4.352 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.953 4.322 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.773 5.840 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.745 5.806 0.695 1.00 0.00 H new ATOM 999 N GLU A 68 -9.199 4.575 0.861 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.145 3.845 1.694 1.00 0.00 C ATOM 1001 C GLU A 68 -11.339 3.381 0.868 1.00 0.00 C ATOM 1002 O GLU A 68 -11.913 2.324 1.126 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.621 4.725 2.853 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.497 5.180 3.771 1.00 0.00 C ATOM 1005 CD GLU A 68 -9.663 4.680 5.195 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -10.653 3.968 5.465 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -8.802 5.002 6.040 1.00 0.00 O ATOM 0 H GLU A 68 -9.019 5.532 1.164 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.640 2.968 2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.127 5.602 2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.357 4.174 3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.545 4.827 3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.456 6.269 3.775 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.732 4.198 -0.106 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.840 3.859 -0.986 1.00 0.00 C ATOM 1016 C GLU A 69 -12.517 2.604 -1.784 1.00 0.00 C ATOM 1017 O GLU A 69 -13.314 1.665 -1.840 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.150 5.021 -1.933 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.614 5.430 -1.933 1.00 0.00 C ATOM 1020 CD GLU A 69 -14.845 6.772 -2.598 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -15.018 6.801 -3.835 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -14.859 7.795 -1.881 1.00 0.00 O ATOM 0 H GLU A 69 -11.297 5.099 -0.303 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.720 3.668 -0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.541 5.880 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.859 4.741 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.200 4.668 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.976 5.471 -0.906 1.00 0.00 H new ATOM 1029 N SER A 70 -11.345 2.601 -2.411 1.00 0.00 N ATOM 1030 CA SER A 70 -10.891 1.456 -3.186 1.00 0.00 C ATOM 1031 C SER A 70 -10.711 0.247 -2.281 1.00 0.00 C ATOM 1032 O SER A 70 -10.690 -0.890 -2.745 1.00 0.00 O ATOM 1033 CB SER A 70 -9.574 1.780 -3.895 1.00 0.00 C ATOM 1034 OG SER A 70 -8.471 1.619 -3.021 1.00 0.00 O ATOM 0 H SER A 70 -10.691 3.384 -2.396 1.00 0.00 H new ATOM 0 HA SER A 70 -11.646 1.226 -3.938 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.454 1.129 -4.761 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.600 2.804 -4.267 1.00 0.00 H new ATOM 0 HG SER A 70 -8.664 2.058 -2.166 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.602 0.507 -0.981 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.430 -0.550 0.004 1.00 0.00 C ATOM 1042 C LEU A 71 -11.730 -1.322 0.193 1.00 0.00 C ATOM 1043 O LEU A 71 -11.718 -2.519 0.482 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.983 0.047 1.341 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.579 -0.351 1.806 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.468 -1.861 1.957 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.525 0.172 0.840 1.00 0.00 C ATOM 0 H LEU A 71 -10.630 1.447 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.665 -1.237 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.027 1.134 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.698 -0.249 2.108 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.403 0.101 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.462 -2.121 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.193 -2.207 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.669 -2.338 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.535 -0.121 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.700 -0.247 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.585 1.259 0.790 1.00 0.00 H new ATOM 1059 N SER A 72 -12.848 -0.628 0.013 1.00 0.00 N ATOM 1060 CA SER A 72 -14.164 -1.243 0.145 1.00 0.00 C ATOM 1061 C SER A 72 -14.365 -2.321 -0.916 1.00 0.00 C ATOM 1062 O SER A 72 -15.305 -3.113 -0.842 1.00 0.00 O ATOM 1063 CB SER A 72 -15.256 -0.177 0.030 1.00 0.00 C ATOM 1064 OG SER A 72 -16.072 -0.400 -1.107 1.00 0.00 O ATOM 0 H SER A 72 -12.869 0.364 -0.225 1.00 0.00 H new ATOM 0 HA SER A 72 -14.229 -1.712 1.127 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.871 -0.184 0.930 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.799 0.810 -0.035 1.00 0.00 H new ATOM 0 HG SER A 72 -16.762 0.294 -1.156 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.468 -2.345 -1.897 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.545 -3.329 -2.962 1.00 0.00 C ATOM 1072 C GLY A 73 -12.179 -3.653 -3.529 1.00 0.00 C ATOM 1073 O GLY A 73 -12.052 -4.050 -4.688 1.00 0.00 O ATOM 0 H GLY A 73 -12.685 -1.696 -1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.006 -4.241 -2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.189 -2.954 -3.757 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.156 -3.477 -2.701 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.777 -3.732 -3.105 1.00 0.00 C ATOM 1079 C ILE A 74 -9.509 -5.236 -3.212 1.00 0.00 C ATOM 1080 O ILE A 74 -10.445 -6.028 -3.325 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.790 -3.072 -2.109 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.462 -2.748 -2.798 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.569 -3.952 -0.886 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -6.809 -1.482 -2.287 1.00 0.00 C ATOM 0 H ILE A 74 -11.256 -3.156 -1.738 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.623 -3.290 -4.089 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.234 -2.137 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.776 -3.583 -2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.632 -2.652 -3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.872 -3.462 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.519 -4.113 -0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.157 -4.912 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.873 -1.315 -2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.476 -0.636 -2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.607 -1.582 -1.221 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.234 -5.621 -3.180 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.850 -7.025 -3.273 1.00 0.00 C ATOM 1098 C GLU A 75 -8.625 -7.872 -2.265 1.00 0.00 C ATOM 1099 O GLU A 75 -8.289 -7.909 -1.081 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.348 -7.167 -3.023 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.510 -7.153 -4.291 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.351 -5.760 -4.869 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -6.329 -5.242 -5.448 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.248 -5.188 -4.743 1.00 0.00 O ATOM 0 H GLU A 75 -7.449 -4.976 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.089 -7.381 -4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.019 -6.356 -2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.165 -8.099 -2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.525 -7.568 -4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.973 -7.801 -5.035 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.670 -8.543 -2.746 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.487 -9.374 -1.878 1.00 0.00 C ATOM 1113 C GLY A 76 -9.696 -10.492 -1.229 1.00 0.00 C ATOM 1114 O GLY A 76 -9.980 -10.887 -0.099 1.00 0.00 O ATOM 0 H GLY A 76 -9.965 -8.525 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.935 -8.753 -1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.306 -9.802 -2.456 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.695 -10.997 -1.943 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.849 -12.066 -1.427 1.00 0.00 C ATOM 1120 C VAL A 77 -6.678 -11.490 -0.646 1.00 0.00 C ATOM 1121 O VAL A 77 -6.285 -12.024 0.390 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.297 -12.949 -2.562 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.727 -14.243 -2.003 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -8.375 -13.231 -3.595 1.00 0.00 C ATOM 0 H VAL A 77 -8.450 -10.682 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.470 -12.677 -0.772 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.490 -12.409 -3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.342 -14.854 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.919 -14.014 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.511 -14.790 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.964 -13.856 -4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.208 -13.749 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.727 -12.291 -4.020 1.00 0.00 H new ATOM 1134 N SER A 78 -6.141 -10.386 -1.146 1.00 0.00 N ATOM 1135 CA SER A 78 -5.012 -9.730 -0.516 1.00 0.00 C ATOM 1136 C SER A 78 -5.481 -8.602 0.391 1.00 0.00 C ATOM 1137 O SER A 78 -5.650 -7.467 -0.053 1.00 0.00 O ATOM 1138 CB SER A 78 -4.071 -9.176 -1.587 1.00 0.00 C ATOM 1139 OG SER A 78 -3.825 -10.137 -2.598 1.00 0.00 O ATOM 0 H SER A 78 -6.475 -9.926 -1.993 1.00 0.00 H new ATOM 0 HA SER A 78 -4.481 -10.463 0.091 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.507 -8.281 -2.031 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.129 -8.878 -1.128 1.00 0.00 H new ATOM 0 HG SER A 78 -3.222 -9.757 -3.271 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.717 -8.923 1.659 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.130 -7.904 2.616 1.00 0.00 C ATOM 1147 C ASN A 79 -4.922 -7.124 3.069 1.00 0.00 C ATOM 1148 O ASN A 79 -3.859 -7.690 3.329 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.842 -8.495 3.832 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.863 -7.532 4.432 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -7.450 -6.290 4.728 1.00 0.00 O flip ATOM 1152 ND2 ASN A 79 -9.020 -7.900 4.632 1.00 0.00 N flip ATOM 0 H ASN A 79 -5.631 -9.864 2.043 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.841 -7.251 2.111 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.344 -9.419 3.543 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.104 -8.757 4.590 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.301 -8.852 4.395 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.698 -7.253 5.035 1.00 0.00 H new ATOM 1159 N ILE A 80 -5.088 -5.826 3.160 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.996 -4.959 3.512 1.00 0.00 C ATOM 1161 C ILE A 80 -4.048 -4.516 4.963 1.00 0.00 C ATOM 1162 O ILE A 80 -5.120 -4.274 5.517 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.009 -3.707 2.634 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.204 -4.075 1.165 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.731 -2.924 2.832 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.435 -3.454 0.543 1.00 0.00 C ATOM 0 H ILE A 80 -5.974 -5.348 2.994 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.084 -5.536 3.356 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.849 -3.080 2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.325 -3.762 0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.270 -5.159 1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.748 -2.034 2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.644 -2.628 3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.878 -3.545 2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.509 -3.759 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.322 -3.787 1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.362 -2.368 0.599 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.869 -4.331 5.540 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.751 -3.761 6.862 1.00 0.00 C ATOM 1180 C GLU A 81 -2.741 -2.256 6.689 1.00 0.00 C ATOM 1181 O GLU A 81 -1.693 -1.610 6.736 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.471 -4.237 7.554 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.349 -3.767 8.994 1.00 0.00 C ATOM 1184 CD GLU A 81 -1.789 -4.819 9.993 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -2.725 -5.584 9.677 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -1.199 -4.878 11.092 1.00 0.00 O ATOM 0 H GLU A 81 -1.979 -4.571 5.104 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.582 -4.076 7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.439 -5.326 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.609 -3.881 6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.314 -3.491 9.195 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.950 -2.868 9.131 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.912 -1.736 6.352 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.075 -0.333 6.027 1.00 0.00 C ATOM 1195 C VAL A 82 -4.178 0.516 7.291 1.00 0.00 C ATOM 1196 O VAL A 82 -5.169 1.209 7.524 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.327 -0.143 5.142 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.525 1.324 4.784 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.215 -0.985 3.883 1.00 0.00 C ATOM 0 H VAL A 82 -4.774 -2.278 6.297 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.195 -0.001 5.476 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.197 -0.473 5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.413 1.430 4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.650 1.907 5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.654 1.686 4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.104 -0.841 3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.332 -0.682 3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.128 -2.037 4.155 1.00 0.00 H new ATOM 1209 N THR A 83 -3.159 0.406 8.134 1.00 0.00 N ATOM 1210 CA THR A 83 -3.110 1.165 9.375 1.00 0.00 C ATOM 1211 C THR A 83 -1.749 1.826 9.581 1.00 0.00 C ATOM 1212 O THR A 83 -1.506 2.429 10.627 1.00 0.00 O ATOM 1213 CB THR A 83 -3.423 0.252 10.562 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.409 -0.705 10.211 1.00 0.00 O ATOM 1215 CG2 THR A 83 -3.920 1.000 11.778 1.00 0.00 C ATOM 0 H THR A 83 -2.355 -0.202 7.980 1.00 0.00 H new ATOM 0 HA THR A 83 -3.860 1.953 9.308 1.00 0.00 H new ATOM 0 HB THR A 83 -2.478 -0.229 10.815 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.595 -1.281 10.982 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.123 0.293 12.582 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.161 1.711 12.103 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.835 1.536 11.527 1.00 0.00 H new ATOM 1223 N ASP A 84 -0.826 1.637 8.637 1.00 0.00 N ATOM 1224 CA ASP A 84 0.509 2.197 8.780 1.00 0.00 C ATOM 1225 C ASP A 84 0.564 3.631 8.266 1.00 0.00 C ATOM 1226 O ASP A 84 0.166 3.908 7.136 1.00 0.00 O ATOM 1227 CB ASP A 84 1.527 1.323 8.051 1.00 0.00 C ATOM 1228 CG ASP A 84 2.953 1.622 8.473 1.00 0.00 C ATOM 1229 OD1 ASP A 84 3.135 2.339 9.479 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.886 1.133 7.803 1.00 0.00 O ATOM 0 H ASP A 84 -0.979 1.108 7.779 1.00 0.00 H new ATOM 0 HA ASP A 84 0.759 2.216 9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.306 0.273 8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.429 1.476 6.976 1.00 0.00 H new ATOM 1235 N VAL A 85 1.059 4.541 9.103 1.00 0.00 N ATOM 1236 CA VAL A 85 1.151 5.945 8.728 1.00 0.00 C ATOM 1237 C VAL A 85 2.297 6.653 9.454 1.00 0.00 C ATOM 1238 O VAL A 85 2.583 6.369 10.617 1.00 0.00 O ATOM 1239 CB VAL A 85 -0.175 6.679 9.014 1.00 0.00 C ATOM 1240 CG1 VAL A 85 -0.295 7.041 10.488 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -0.300 7.917 8.139 1.00 0.00 C ATOM 0 H VAL A 85 1.400 4.330 10.041 1.00 0.00 H new ATOM 0 HA VAL A 85 1.354 5.975 7.657 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.995 6.003 8.771 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.239 7.557 10.660 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.263 6.133 11.090 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.532 7.693 10.771 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.242 8.422 8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.530 8.593 8.345 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.278 7.624 7.089 1.00 0.00 H new ATOM 1251 N ARG A 86 2.895 7.627 8.774 1.00 0.00 N ATOM 1252 CA ARG A 86 4.019 8.374 9.313 1.00 0.00 C ATOM 1253 C ARG A 86 3.839 9.867 9.101 1.00 0.00 C ATOM 1254 O ARG A 86 4.069 10.387 8.010 1.00 0.00 O ATOM 1255 CB ARG A 86 5.300 7.939 8.638 1.00 0.00 C ATOM 1256 CG ARG A 86 5.556 6.454 8.715 1.00 0.00 C ATOM 1257 CD ARG A 86 4.778 5.684 7.667 1.00 0.00 C ATOM 1258 NE ARG A 86 5.517 4.515 7.195 1.00 0.00 N ATOM 1259 CZ ARG A 86 5.844 3.480 7.967 1.00 0.00 C ATOM 1260 NH1 ARG A 86 5.500 3.465 9.248 1.00 0.00 N ATOM 1261 NH2 ARG A 86 6.517 2.459 7.455 1.00 0.00 N ATOM 0 H ARG A 86 2.613 7.917 7.838 1.00 0.00 H new ATOM 0 HA ARG A 86 4.069 8.171 10.383 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.267 8.239 7.590 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.137 8.467 9.095 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.622 6.264 8.587 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.284 6.091 9.706 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.822 5.366 8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.556 6.339 6.824 1.00 0.00 H new ATOM 0 HE ARG A 86 5.799 4.490 6.215 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.983 4.249 9.646 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.753 2.670 9.835 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.784 2.466 6.471 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.768 1.666 8.045 1.00 0.00 H new ATOM 1275 N ARG A 87 3.420 10.546 10.152 1.00 0.00 N ATOM 1276 CA ARG A 87 3.223 11.989 10.104 1.00 0.00 C ATOM 1277 C ARG A 87 4.545 12.728 10.303 1.00 0.00 C ATOM 1278 O ARG A 87 4.867 13.146 11.416 1.00 0.00 O ATOM 1279 CB ARG A 87 2.217 12.420 11.174 1.00 0.00 C ATOM 1280 CG ARG A 87 0.778 12.431 10.686 1.00 0.00 C ATOM 1281 CD ARG A 87 0.373 13.804 10.177 1.00 0.00 C ATOM 1282 NE ARG A 87 -0.822 14.306 10.850 1.00 0.00 N ATOM 1283 CZ ARG A 87 -1.974 14.542 10.227 1.00 0.00 C ATOM 1284 NH1 ARG A 87 -2.087 14.323 8.925 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -3.015 14.998 10.912 1.00 0.00 N ATOM 0 H ARG A 87 3.208 10.122 11.055 1.00 0.00 H new ATOM 0 HA ARG A 87 2.831 12.246 9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.297 11.748 12.028 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.480 13.417 11.527 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.657 11.696 9.890 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.115 12.133 11.498 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.195 14.504 10.328 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.190 13.753 9.104 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.771 14.486 11.853 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.289 13.972 8.396 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.972 14.505 8.452 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.931 15.167 11.914 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.899 15.179 10.436 1.00 0.00 H new ATOM 1299 N LEU A 88 5.311 12.885 9.224 1.00 0.00 N ATOM 1300 CA LEU A 88 6.591 13.585 9.304 1.00 0.00 C ATOM 1301 C LEU A 88 6.383 15.091 9.266 1.00 0.00 C ATOM 1302 O LEU A 88 6.341 15.687 8.190 1.00 0.00 O ATOM 1303 CB LEU A 88 7.529 13.183 8.163 1.00 0.00 C ATOM 1304 CG LEU A 88 7.050 12.036 7.279 1.00 0.00 C ATOM 1305 CD1 LEU A 88 7.882 11.974 6.008 1.00 0.00 C ATOM 1306 CD2 LEU A 88 7.119 10.726 8.041 1.00 0.00 C ATOM 0 H LEU A 88 5.071 12.541 8.294 1.00 0.00 H new ATOM 0 HA LEU A 88 7.050 13.300 10.251 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.697 14.056 7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.493 12.908 8.591 1.00 0.00 H new ATOM 0 HG LEU A 88 6.012 12.210 6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.532 11.152 5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.782 12.912 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.929 11.814 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.775 9.914 7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.148 10.536 8.346 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.484 10.785 8.925 1.00 0.00 H new ATOM 1318 N MET A 89 6.263 15.698 10.441 1.00 0.00 N ATOM 1319 CA MET A 89 6.066 17.140 10.541 1.00 0.00 C ATOM 1320 C MET A 89 7.400 17.865 10.682 1.00 0.00 C ATOM 1321 O MET A 89 8.437 17.177 10.791 1.00 0.00 O ATOM 1322 CB MET A 89 5.164 17.473 11.731 1.00 0.00 C ATOM 1323 CG MET A 89 5.611 16.828 13.033 1.00 0.00 C ATOM 1324 SD MET A 89 4.575 17.298 14.433 1.00 0.00 S ATOM 1325 CE MET A 89 2.962 16.782 13.852 1.00 0.00 C ATOM 1326 OXT MET A 89 7.396 19.113 10.683 1.00 0.00 O ATOM 0 H MET A 89 6.299 15.214 11.338 1.00 0.00 H new ATOM 0 HA MET A 89 5.585 17.478 9.623 1.00 0.00 H new ATOM 0 HB2 MET A 89 5.135 18.555 11.862 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.147 17.152 11.506 1.00 0.00 H new ATOM 0 HG2 MET A 89 5.594 15.744 12.921 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.643 17.111 13.239 1.00 0.00 H new ATOM 0 HE1 MET A 89 2.288 16.670 14.701 1.00 0.00 H new ATOM 0 HE2 MET A 89 2.564 17.533 13.169 1.00 0.00 H new ATOM 0 HE3 MET A 89 3.051 15.828 13.331 1.00 0.00 H new TER 1336 MET A 89