USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=13 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 -136:sc= 0 (180deg=-0.00994) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.588 USER MOD Single : A 9 LYS NZ :NH3+ -152:sc= 1.11 (180deg=0.444) USER MOD Single : A 11 MET CE :methyl 175:sc= -1.36 (180deg=-1.41) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0771 USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= -0.783! (180deg=-2.42!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.66) USER MOD Single : A 34 THR OG1 : rot -130:sc= -1.19 USER MOD Single : A 37 HIS : no HD1:sc= -3.04! C(o=-3!,f=-6.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -7.22! C(o=-7.2!,f=-6.6!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -61:sc= -2.07! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -91:sc= -1.92 USER MOD Single : A 79 ASN : amide:sc= -3.52! K(o=-3.5!,f=-0.056) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 164:sc= -0.247 (180deg=-0.791) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.613 14.829 5.128 1.00 0.00 N ATOM 2 CA MET A 1 11.591 15.287 6.542 1.00 0.00 C ATOM 3 C MET A 1 10.638 16.465 6.724 1.00 0.00 C ATOM 4 O MET A 1 11.012 17.504 7.269 1.00 0.00 O ATOM 5 CB MET A 1 13.011 15.687 6.941 1.00 0.00 C ATOM 6 CG MET A 1 13.344 15.379 8.393 1.00 0.00 C ATOM 7 SD MET A 1 15.119 15.248 8.686 1.00 0.00 S ATOM 8 CE MET A 1 15.441 13.593 8.082 1.00 0.00 C ATOM 0 H1 MET A 1 12.269 14.028 5.033 1.00 0.00 H new ATOM 0 H2 MET A 1 10.658 14.530 4.845 1.00 0.00 H new ATOM 0 H3 MET A 1 11.928 15.608 4.516 1.00 0.00 H new ATOM 0 HA MET A 1 11.235 14.478 7.179 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.721 15.169 6.296 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.142 16.755 6.765 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.931 16.161 9.030 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.862 14.445 8.682 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.095 13.071 8.781 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.500 13.050 7.990 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.924 13.649 7.107 1.00 0.00 H new ATOM 20 N GLY A 2 9.404 16.287 6.267 1.00 0.00 N ATOM 21 CA GLY A 2 8.403 17.335 6.389 1.00 0.00 C ATOM 22 C GLY A 2 7.085 16.944 5.750 1.00 0.00 C ATOM 23 O GLY A 2 6.076 17.628 5.916 1.00 0.00 O ATOM 0 H GLY A 2 9.076 15.434 5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 2 8.241 17.560 7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 2 8.775 18.247 5.922 1.00 0.00 H new ATOM 27 N ASP A 3 7.116 15.867 4.971 1.00 0.00 N ATOM 28 CA ASP A 3 5.924 15.370 4.290 1.00 0.00 C ATOM 29 C ASP A 3 5.222 14.287 5.105 1.00 0.00 C ATOM 30 O ASP A 3 5.816 13.680 5.993 1.00 0.00 O ATOM 31 CB ASP A 3 6.298 14.819 2.912 1.00 0.00 C ATOM 32 CG ASP A 3 6.733 15.910 1.951 1.00 0.00 C ATOM 33 OD1 ASP A 3 7.341 16.899 2.411 1.00 0.00 O ATOM 34 OD2 ASP A 3 6.465 15.773 0.739 1.00 0.00 O ATOM 0 H ASP A 3 7.958 15.319 4.795 1.00 0.00 H new ATOM 0 HA ASP A 3 5.235 16.206 4.175 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.103 14.092 3.021 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.444 14.288 2.492 1.00 0.00 H new ATOM 39 N VAL A 4 3.957 14.039 4.784 1.00 0.00 N ATOM 40 CA VAL A 4 3.193 12.990 5.449 1.00 0.00 C ATOM 41 C VAL A 4 3.174 11.725 4.596 1.00 0.00 C ATOM 42 O VAL A 4 2.681 11.738 3.469 1.00 0.00 O ATOM 43 CB VAL A 4 1.746 13.428 5.739 1.00 0.00 C ATOM 44 CG1 VAL A 4 1.268 12.829 7.053 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.632 14.945 5.764 1.00 0.00 C ATOM 0 H VAL A 4 3.440 14.549 4.068 1.00 0.00 H new ATOM 0 HA VAL A 4 3.686 12.789 6.400 1.00 0.00 H new ATOM 0 HB VAL A 4 1.107 13.058 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.243 13.147 7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.305 11.741 6.992 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.912 13.169 7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.600 15.229 5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.282 15.346 6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.933 15.348 4.797 1.00 0.00 H new ATOM 55 N VAL A 5 3.727 10.639 5.125 1.00 0.00 N ATOM 56 CA VAL A 5 3.785 9.383 4.385 1.00 0.00 C ATOM 57 C VAL A 5 2.851 8.332 4.980 1.00 0.00 C ATOM 58 O VAL A 5 3.024 7.914 6.120 1.00 0.00 O ATOM 59 CB VAL A 5 5.219 8.814 4.356 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.282 7.567 3.487 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.201 9.866 3.865 1.00 0.00 C ATOM 0 H VAL A 5 4.139 10.602 6.057 1.00 0.00 H new ATOM 0 HA VAL A 5 3.463 9.610 3.369 1.00 0.00 H new ATOM 0 HB VAL A 5 5.500 8.535 5.371 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.301 7.180 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.609 6.809 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.981 7.817 2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.207 9.447 3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.925 10.180 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 5 6.176 10.727 4.533 1.00 0.00 H new ATOM 71 N ALA A 6 1.878 7.887 4.187 1.00 0.00 N ATOM 72 CA ALA A 6 0.965 6.832 4.617 1.00 0.00 C ATOM 73 C ALA A 6 1.491 5.486 4.140 1.00 0.00 C ATOM 74 O ALA A 6 2.342 5.440 3.256 1.00 0.00 O ATOM 75 CB ALA A 6 -0.438 7.082 4.084 1.00 0.00 C ATOM 0 H ALA A 6 1.703 8.240 3.246 1.00 0.00 H new ATOM 0 HA ALA A 6 0.909 6.829 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.101 6.284 4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.804 8.038 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.415 7.104 2.994 1.00 0.00 H new ATOM 81 N THR A 7 1.018 4.393 4.732 1.00 0.00 N ATOM 82 CA THR A 7 1.504 3.076 4.338 1.00 0.00 C ATOM 83 C THR A 7 0.397 2.026 4.304 1.00 0.00 C ATOM 84 O THR A 7 -0.370 1.856 5.265 1.00 0.00 O ATOM 85 CB THR A 7 2.631 2.625 5.260 1.00 0.00 C ATOM 86 OG1 THR A 7 3.545 3.682 5.492 1.00 0.00 O ATOM 87 CG2 THR A 7 3.410 1.453 4.707 1.00 0.00 C ATOM 0 H THR A 7 0.314 4.391 5.470 1.00 0.00 H new ATOM 0 HA THR A 7 1.885 3.172 3.321 1.00 0.00 H new ATOM 0 HB THR A 7 2.147 2.318 6.187 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.259 3.372 6.087 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.199 1.177 5.407 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.740 0.606 4.564 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.854 1.730 3.751 1.00 0.00 H new ATOM 95 N ILE A 8 0.370 1.295 3.191 1.00 0.00 N ATOM 96 CA ILE A 8 -0.610 0.246 2.948 1.00 0.00 C ATOM 97 C ILE A 8 0.093 -1.100 2.722 1.00 0.00 C ATOM 98 O ILE A 8 0.724 -1.308 1.688 1.00 0.00 O ATOM 99 CB ILE A 8 -1.459 0.596 1.707 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.824 2.088 1.706 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.703 -0.263 1.654 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.964 2.451 2.638 1.00 0.00 C ATOM 0 H ILE A 8 1.035 1.418 2.428 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.257 0.168 3.821 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.867 0.391 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.943 2.666 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.091 2.384 0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.288 -0.002 0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.418 -1.314 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.301 -0.094 2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.157 3.522 2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.860 1.903 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.695 2.189 3.661 1.00 0.00 H new ATOM 114 N LYS A 9 0.033 -1.988 3.718 1.00 0.00 N ATOM 115 CA LYS A 9 0.709 -3.292 3.635 1.00 0.00 C ATOM 116 C LYS A 9 -0.217 -4.384 3.113 1.00 0.00 C ATOM 117 O LYS A 9 -0.923 -5.033 3.881 1.00 0.00 O ATOM 118 CB LYS A 9 1.260 -3.703 4.997 1.00 0.00 C ATOM 119 CG LYS A 9 1.454 -2.545 5.963 1.00 0.00 C ATOM 120 CD LYS A 9 2.910 -2.129 6.055 1.00 0.00 C ATOM 121 CE LYS A 9 3.716 -3.097 6.906 1.00 0.00 C ATOM 122 NZ LYS A 9 3.224 -3.147 8.311 1.00 0.00 N ATOM 0 H LYS A 9 -0.474 -1.832 4.589 1.00 0.00 H new ATOM 0 HA LYS A 9 1.531 -3.176 2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.582 -4.428 5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.216 -4.206 4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.853 -1.696 5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.094 -2.831 6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.339 -2.080 5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.977 -1.128 6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.665 -4.094 6.468 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.765 -2.799 6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.008 -3.401 8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.849 -2.215 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.471 -3.860 8.390 1.00 0.00 H new ATOM 136 N VAL A 10 -0.184 -4.605 1.810 1.00 0.00 N ATOM 137 CA VAL A 10 -1.066 -5.586 1.174 1.00 0.00 C ATOM 138 C VAL A 10 -0.405 -6.961 1.069 1.00 0.00 C ATOM 139 O VAL A 10 0.766 -7.072 0.710 1.00 0.00 O ATOM 140 CB VAL A 10 -1.525 -5.100 -0.228 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.161 -3.634 -0.430 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.948 -5.956 -1.350 1.00 0.00 C ATOM 0 H VAL A 10 0.442 -4.121 1.166 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.944 -5.685 1.812 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.609 -5.204 -0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.490 -3.310 -1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.652 -3.029 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.081 -3.513 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.296 -5.579 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.141 -5.914 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.275 -6.988 -1.225 1.00 0.00 H new ATOM 152 N MET A 11 -1.167 -8.009 1.394 1.00 0.00 N ATOM 153 CA MET A 11 -0.656 -9.375 1.320 1.00 0.00 C ATOM 154 C MET A 11 -1.760 -10.367 0.922 1.00 0.00 C ATOM 155 O MET A 11 -2.810 -10.451 1.569 1.00 0.00 O ATOM 156 CB MET A 11 -0.006 -9.780 2.656 1.00 0.00 C ATOM 157 CG MET A 11 -0.933 -10.497 3.627 1.00 0.00 C ATOM 158 SD MET A 11 -0.074 -11.712 4.643 1.00 0.00 S ATOM 159 CE MET A 11 -0.468 -13.224 3.768 1.00 0.00 C ATOM 0 H MET A 11 -2.134 -7.936 1.709 1.00 0.00 H new ATOM 0 HA MET A 11 0.107 -9.407 0.542 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.848 -10.425 2.447 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.382 -8.884 3.141 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.412 -9.763 4.274 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.725 -10.993 3.067 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.066 -14.058 4.224 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.541 -13.407 3.822 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.169 -13.129 2.724 1.00 0.00 H new ATOM 169 N PRO A 12 -1.534 -11.130 -0.166 1.00 0.00 N ATOM 170 CA PRO A 12 -2.485 -12.134 -0.658 1.00 0.00 C ATOM 171 C PRO A 12 -2.572 -13.337 0.273 1.00 0.00 C ATOM 172 O PRO A 12 -1.567 -13.995 0.546 1.00 0.00 O ATOM 173 CB PRO A 12 -1.905 -12.557 -2.022 1.00 0.00 C ATOM 174 CG PRO A 12 -0.851 -11.550 -2.329 1.00 0.00 C ATOM 175 CD PRO A 12 -0.334 -11.082 -1.003 1.00 0.00 C ATOM 0 HA PRO A 12 -3.498 -11.736 -0.722 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.487 -13.563 -1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.677 -12.566 -2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.053 -11.990 -2.927 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.260 -10.719 -2.904 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.454 -11.731 -0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.082 -10.076 -1.061 1.00 0.00 H new ATOM 183 N GLU A 13 -3.771 -13.602 0.780 1.00 0.00 N ATOM 184 CA GLU A 13 -3.985 -14.721 1.690 1.00 0.00 C ATOM 185 C GLU A 13 -3.544 -16.036 1.058 1.00 0.00 C ATOM 186 O GLU A 13 -3.112 -16.955 1.754 1.00 0.00 O ATOM 187 CB GLU A 13 -5.459 -14.804 2.093 1.00 0.00 C ATOM 188 CG GLU A 13 -5.879 -13.735 3.089 1.00 0.00 C ATOM 189 CD GLU A 13 -5.402 -14.031 4.497 1.00 0.00 C ATOM 190 OE1 GLU A 13 -6.010 -14.897 5.160 1.00 0.00 O ATOM 191 OE2 GLU A 13 -4.421 -13.396 4.937 1.00 0.00 O ATOM 0 H GLU A 13 -4.609 -13.057 0.576 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.380 -14.549 2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.077 -14.719 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.655 -15.786 2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.483 -12.771 2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.966 -13.649 3.088 1.00 0.00 H new ATOM 198 N SER A 14 -3.666 -16.125 -0.263 1.00 0.00 N ATOM 199 CA SER A 14 -3.279 -17.332 -0.982 1.00 0.00 C ATOM 200 C SER A 14 -1.764 -17.411 -1.141 1.00 0.00 C ATOM 201 O SER A 14 -1.081 -16.386 -1.159 1.00 0.00 O ATOM 202 CB SER A 14 -3.955 -17.374 -2.355 1.00 0.00 C ATOM 203 OG SER A 14 -4.794 -18.509 -2.476 1.00 0.00 O ATOM 0 H SER A 14 -4.029 -15.378 -0.855 1.00 0.00 H new ATOM 0 HA SER A 14 -3.608 -18.192 -0.399 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.541 -16.467 -2.503 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.196 -17.394 -3.137 1.00 0.00 H new ATOM 0 HG SER A 14 -5.215 -18.512 -3.361 1.00 0.00 H new ATOM 209 N PRO A 15 -1.212 -18.635 -1.260 1.00 0.00 N ATOM 210 CA PRO A 15 0.232 -18.835 -1.412 1.00 0.00 C ATOM 211 C PRO A 15 0.749 -18.335 -2.758 1.00 0.00 C ATOM 212 O PRO A 15 1.948 -18.391 -3.035 1.00 0.00 O ATOM 213 CB PRO A 15 0.399 -20.352 -1.305 1.00 0.00 C ATOM 214 CG PRO A 15 -0.921 -20.908 -1.712 1.00 0.00 C ATOM 215 CD PRO A 15 -1.947 -19.914 -1.245 1.00 0.00 C ATOM 0 HA PRO A 15 0.799 -18.279 -0.665 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.197 -20.709 -1.956 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.658 -20.651 -0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.972 -21.044 -2.792 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.090 -21.885 -1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.813 -19.888 -1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.315 -20.155 -0.248 1.00 0.00 H new ATOM 223 N ASP A 16 -0.167 -17.862 -3.595 1.00 0.00 N ATOM 224 CA ASP A 16 0.188 -17.328 -4.901 1.00 0.00 C ATOM 225 C ASP A 16 0.424 -15.827 -4.810 1.00 0.00 C ATOM 226 O ASP A 16 -0.024 -15.063 -5.663 1.00 0.00 O ATOM 227 CB ASP A 16 -0.916 -17.628 -5.917 1.00 0.00 C ATOM 228 CG ASP A 16 -1.366 -19.075 -5.873 1.00 0.00 C ATOM 229 OD1 ASP A 16 -0.500 -19.962 -5.717 1.00 0.00 O ATOM 230 OD2 ASP A 16 -2.584 -19.322 -5.995 1.00 0.00 O ATOM 0 H ASP A 16 -1.166 -17.838 -3.389 1.00 0.00 H new ATOM 0 HA ASP A 16 1.108 -17.808 -5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.770 -16.979 -5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.557 -17.392 -6.919 1.00 0.00 H new ATOM 235 N VAL A 17 1.127 -15.418 -3.760 1.00 0.00 N ATOM 236 CA VAL A 17 1.413 -14.006 -3.521 1.00 0.00 C ATOM 237 C VAL A 17 2.321 -13.428 -4.609 1.00 0.00 C ATOM 238 O VAL A 17 3.524 -13.260 -4.404 1.00 0.00 O ATOM 239 CB VAL A 17 2.083 -13.793 -2.146 1.00 0.00 C ATOM 240 CG1 VAL A 17 2.454 -12.328 -1.936 1.00 0.00 C ATOM 241 CG2 VAL A 17 1.174 -14.283 -1.030 1.00 0.00 C ATOM 0 H VAL A 17 1.512 -16.048 -3.056 1.00 0.00 H new ATOM 0 HA VAL A 17 0.455 -13.486 -3.539 1.00 0.00 H new ATOM 0 HB VAL A 17 3.003 -14.377 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.924 -12.208 -0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.149 -12.014 -2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.554 -11.714 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.662 -14.125 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.235 -13.730 -1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.973 -15.346 -1.165 1.00 0.00 H new ATOM 251 N ASP A 18 1.748 -13.150 -5.776 1.00 0.00 N ATOM 252 CA ASP A 18 2.506 -12.549 -6.867 1.00 0.00 C ATOM 253 C ASP A 18 2.853 -11.107 -6.524 1.00 0.00 C ATOM 254 O ASP A 18 2.015 -10.216 -6.646 1.00 0.00 O ATOM 255 CB ASP A 18 1.709 -12.607 -8.170 1.00 0.00 C ATOM 256 CG ASP A 18 1.715 -13.988 -8.793 1.00 0.00 C ATOM 257 OD1 ASP A 18 1.733 -14.981 -8.034 1.00 0.00 O ATOM 258 OD2 ASP A 18 1.705 -14.079 -10.038 1.00 0.00 O ATOM 0 H ASP A 18 0.767 -13.330 -5.989 1.00 0.00 H new ATOM 0 HA ASP A 18 3.429 -13.113 -7.004 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.680 -12.304 -7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.125 -11.891 -8.879 1.00 0.00 H new ATOM 263 N LEU A 19 4.066 -10.895 -6.031 1.00 0.00 N ATOM 264 CA LEU A 19 4.499 -9.566 -5.615 1.00 0.00 C ATOM 265 C LEU A 19 4.534 -8.587 -6.788 1.00 0.00 C ATOM 266 O LEU A 19 4.015 -7.477 -6.686 1.00 0.00 O ATOM 267 CB LEU A 19 5.866 -9.641 -4.919 1.00 0.00 C ATOM 268 CG LEU A 19 7.088 -9.490 -5.828 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.643 -8.078 -5.735 1.00 0.00 C ATOM 270 CD2 LEU A 19 8.153 -10.512 -5.464 1.00 0.00 C ATOM 0 H LEU A 19 4.768 -11.625 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 19 3.767 -9.186 -4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.907 -8.864 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.937 -10.598 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 19 6.780 -9.672 -6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.512 -7.985 -6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.879 -7.365 -6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.937 -7.870 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.014 -10.390 -6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.462 -10.363 -4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.748 -11.517 -5.581 1.00 0.00 H new ATOM 282 N GLU A 20 5.098 -9.016 -7.914 1.00 0.00 N ATOM 283 CA GLU A 20 5.205 -8.150 -9.086 1.00 0.00 C ATOM 284 C GLU A 20 3.844 -7.923 -9.709 1.00 0.00 C ATOM 285 O GLU A 20 3.545 -6.828 -10.188 1.00 0.00 O ATOM 286 CB GLU A 20 6.165 -8.756 -10.108 1.00 0.00 C ATOM 287 CG GLU A 20 6.069 -8.133 -11.491 1.00 0.00 C ATOM 288 CD GLU A 20 7.060 -8.732 -12.470 1.00 0.00 C ATOM 289 OE1 GLU A 20 6.812 -9.857 -12.953 1.00 0.00 O ATOM 290 OE2 GLU A 20 8.086 -8.077 -12.751 1.00 0.00 O ATOM 0 H GLU A 20 5.486 -9.951 -8.040 1.00 0.00 H new ATOM 0 HA GLU A 20 5.600 -7.186 -8.766 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.186 -8.647 -9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.967 -9.825 -10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.058 -8.266 -11.876 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.243 -7.060 -11.415 1.00 0.00 H new ATOM 297 N ALA A 21 3.007 -8.944 -9.675 1.00 0.00 N ATOM 298 CA ALA A 21 1.652 -8.800 -10.176 1.00 0.00 C ATOM 299 C ALA A 21 0.889 -7.854 -9.267 1.00 0.00 C ATOM 300 O ALA A 21 0.123 -7.008 -9.719 1.00 0.00 O ATOM 301 CB ALA A 21 0.956 -10.148 -10.268 1.00 0.00 C ATOM 0 H ALA A 21 3.236 -9.869 -9.312 1.00 0.00 H new ATOM 0 HA ALA A 21 1.683 -8.386 -11.184 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.057 -10.009 -10.646 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.510 -10.798 -10.945 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.915 -10.604 -9.279 1.00 0.00 H new ATOM 307 N LEU A 22 1.140 -7.986 -7.976 1.00 0.00 N ATOM 308 CA LEU A 22 0.537 -7.112 -6.987 1.00 0.00 C ATOM 309 C LEU A 22 1.062 -5.697 -7.161 1.00 0.00 C ATOM 310 O LEU A 22 0.358 -4.723 -6.907 1.00 0.00 O ATOM 311 CB LEU A 22 0.855 -7.623 -5.576 1.00 0.00 C ATOM 312 CG LEU A 22 -0.209 -7.371 -4.496 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.550 -6.975 -5.104 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.370 -8.605 -3.628 1.00 0.00 C ATOM 0 H LEU A 22 1.762 -8.695 -7.587 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.544 -7.107 -7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.033 -8.697 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.788 -7.163 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 22 0.132 -6.538 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.275 -6.806 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.430 -6.061 -5.686 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.905 -7.775 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.126 -8.417 -2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.680 -9.447 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.580 -8.838 -3.147 1.00 0.00 H new ATOM 326 N LYS A 23 2.307 -5.606 -7.613 1.00 0.00 N ATOM 327 CA LYS A 23 2.967 -4.326 -7.824 1.00 0.00 C ATOM 328 C LYS A 23 2.154 -3.437 -8.750 1.00 0.00 C ATOM 329 O LYS A 23 1.958 -2.252 -8.477 1.00 0.00 O ATOM 330 CB LYS A 23 4.356 -4.550 -8.422 1.00 0.00 C ATOM 331 CG LYS A 23 5.494 -4.160 -7.497 1.00 0.00 C ATOM 332 CD LYS A 23 6.339 -5.361 -7.119 1.00 0.00 C ATOM 333 CE LYS A 23 7.803 -5.144 -7.468 1.00 0.00 C ATOM 334 NZ LYS A 23 8.162 -3.699 -7.508 1.00 0.00 N ATOM 0 H LYS A 23 2.885 -6.415 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 23 3.057 -3.828 -6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.461 -5.602 -8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.440 -3.978 -9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.120 -3.412 -7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.090 -3.700 -6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.243 -5.553 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.968 -6.246 -7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.429 -5.652 -6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.015 -5.597 -8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.186 -3.591 -7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.903 -3.303 -8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.648 -3.193 -6.759 1.00 0.00 H new ATOM 348 N LYS A 24 1.729 -4.002 -9.874 1.00 0.00 N ATOM 349 CA LYS A 24 0.943 -3.259 -10.845 1.00 0.00 C ATOM 350 C LYS A 24 -0.427 -2.936 -10.284 1.00 0.00 C ATOM 351 O LYS A 24 -0.949 -1.836 -10.467 1.00 0.00 O ATOM 352 CB LYS A 24 0.815 -4.063 -12.136 1.00 0.00 C ATOM 353 CG LYS A 24 0.137 -5.407 -11.964 1.00 0.00 C ATOM 354 CD LYS A 24 -0.238 -6.018 -13.304 1.00 0.00 C ATOM 355 CE LYS A 24 0.632 -7.222 -13.631 1.00 0.00 C ATOM 356 NZ LYS A 24 1.351 -7.054 -14.924 1.00 0.00 N ATOM 0 H LYS A 24 1.916 -4.971 -10.133 1.00 0.00 H new ATOM 0 HA LYS A 24 1.452 -2.320 -11.064 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.254 -3.476 -12.863 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.810 -4.221 -12.553 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.801 -6.084 -11.427 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.758 -5.288 -11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.286 -6.319 -13.288 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.134 -5.269 -14.089 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.356 -7.375 -12.831 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.011 -8.117 -13.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.932 -7.896 -15.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.660 -6.934 -15.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.963 -6.215 -14.874 1.00 0.00 H new ATOM 370 N GLU A 25 -0.997 -3.908 -9.593 1.00 0.00 N ATOM 371 CA GLU A 25 -2.308 -3.736 -8.978 1.00 0.00 C ATOM 372 C GLU A 25 -2.241 -2.668 -7.895 1.00 0.00 C ATOM 373 O GLU A 25 -3.216 -1.973 -7.618 1.00 0.00 O ATOM 374 CB GLU A 25 -2.798 -5.058 -8.386 1.00 0.00 C ATOM 375 CG GLU A 25 -2.928 -6.173 -9.411 1.00 0.00 C ATOM 376 CD GLU A 25 -4.207 -6.075 -10.221 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.298 -6.117 -9.614 1.00 0.00 O ATOM 378 OE2 GLU A 25 -4.116 -5.958 -11.461 1.00 0.00 O ATOM 0 H GLU A 25 -0.576 -4.825 -9.442 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.014 -3.417 -9.745 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.108 -5.374 -7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.766 -4.897 -7.912 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.072 -6.143 -10.085 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.898 -7.136 -8.901 1.00 0.00 H new ATOM 385 N ILE A 26 -1.075 -2.554 -7.283 1.00 0.00 N ATOM 386 CA ILE A 26 -0.848 -1.574 -6.235 1.00 0.00 C ATOM 387 C ILE A 26 -1.007 -0.156 -6.770 1.00 0.00 C ATOM 388 O ILE A 26 -1.645 0.689 -6.144 1.00 0.00 O ATOM 389 CB ILE A 26 0.556 -1.751 -5.619 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.480 -2.686 -4.410 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.155 -0.408 -5.222 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.661 -3.625 -4.295 1.00 0.00 C ATOM 0 H ILE A 26 -0.264 -3.134 -7.497 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.596 -1.737 -5.459 1.00 0.00 H new ATOM 0 HB ILE A 26 1.209 -2.195 -6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.413 -2.087 -3.502 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.436 -3.274 -4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.144 -0.564 -4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.239 0.228 -6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.511 0.075 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.539 -4.257 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.717 -4.250 -5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.579 -3.045 -4.200 1.00 0.00 H new ATOM 404 N GLN A 27 -0.398 0.103 -7.920 1.00 0.00 N ATOM 405 CA GLN A 27 -0.450 1.422 -8.533 1.00 0.00 C ATOM 406 C GLN A 27 -1.882 1.827 -8.861 1.00 0.00 C ATOM 407 O GLN A 27 -2.233 3.004 -8.790 1.00 0.00 O ATOM 408 CB GLN A 27 0.400 1.447 -9.805 1.00 0.00 C ATOM 409 CG GLN A 27 1.856 1.078 -9.571 1.00 0.00 C ATOM 410 CD GLN A 27 2.787 2.268 -9.694 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.609 3.124 -10.561 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.788 2.329 -8.823 1.00 0.00 N ATOM 0 H GLN A 27 0.139 -0.586 -8.447 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.050 2.138 -7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.029 0.757 -10.532 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.352 2.443 -10.244 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.961 0.641 -8.578 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.153 0.314 -10.289 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.898 1.598 -8.121 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.446 3.107 -8.856 1.00 0.00 H new ATOM 421 N GLU A 28 -2.693 0.855 -9.271 1.00 0.00 N ATOM 422 CA GLU A 28 -4.080 1.131 -9.635 1.00 0.00 C ATOM 423 C GLU A 28 -4.954 1.314 -8.400 1.00 0.00 C ATOM 424 O GLU A 28 -6.018 1.930 -8.467 1.00 0.00 O ATOM 425 CB GLU A 28 -4.633 0.012 -10.516 1.00 0.00 C ATOM 426 CG GLU A 28 -4.917 -1.278 -9.768 1.00 0.00 C ATOM 427 CD GLU A 28 -5.626 -2.307 -10.626 1.00 0.00 C ATOM 428 OE1 GLU A 28 -6.860 -2.199 -10.785 1.00 0.00 O ATOM 429 OE2 GLU A 28 -4.947 -3.222 -11.138 1.00 0.00 O ATOM 0 H GLU A 28 -2.417 -0.123 -9.359 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.097 2.064 -10.198 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.553 0.356 -10.989 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.921 -0.193 -11.316 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.978 -1.697 -9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.527 -1.059 -8.892 1.00 0.00 H new ATOM 436 N ARG A 29 -4.505 0.769 -7.275 1.00 0.00 N ATOM 437 CA ARG A 29 -5.258 0.861 -6.030 1.00 0.00 C ATOM 438 C ARG A 29 -4.878 2.113 -5.245 1.00 0.00 C ATOM 439 O ARG A 29 -5.521 2.454 -4.251 1.00 0.00 O ATOM 440 CB ARG A 29 -5.025 -0.390 -5.180 1.00 0.00 C ATOM 441 CG ARG A 29 -3.775 -0.332 -4.316 1.00 0.00 C ATOM 442 CD ARG A 29 -3.802 -1.407 -3.242 1.00 0.00 C ATOM 443 NE ARG A 29 -3.655 -2.746 -3.803 1.00 0.00 N ATOM 444 CZ ARG A 29 -3.746 -3.859 -3.082 1.00 0.00 C ATOM 445 NH1 ARG A 29 -3.993 -3.792 -1.781 1.00 0.00 N ATOM 446 NH2 ARG A 29 -3.593 -5.041 -3.661 1.00 0.00 N ATOM 0 H ARG A 29 -3.625 0.260 -7.200 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.317 0.930 -6.279 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.891 -0.545 -4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.958 -1.256 -5.839 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.891 -0.460 -4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.697 0.650 -3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.001 -1.224 -2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.741 -1.346 -2.692 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.472 -2.833 -4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.114 -2.885 -1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.062 -4.648 -1.230 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.405 -5.098 -4.662 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.663 -5.894 -3.106 1.00 0.00 H new ATOM 460 N ILE A 30 -3.829 2.792 -5.697 1.00 0.00 N ATOM 461 CA ILE A 30 -3.354 4.004 -5.035 1.00 0.00 C ATOM 462 C ILE A 30 -4.451 5.066 -4.958 1.00 0.00 C ATOM 463 O ILE A 30 -5.174 5.287 -5.930 1.00 0.00 O ATOM 464 CB ILE A 30 -2.139 4.604 -5.773 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.950 3.641 -5.714 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.761 5.963 -5.188 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.405 3.432 -4.318 1.00 0.00 C ATOM 0 H ILE A 30 -3.290 2.524 -6.520 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.062 3.714 -4.026 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.414 4.752 -6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.253 2.678 -6.124 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.153 4.022 -6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.902 6.364 -5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.603 6.648 -5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.508 5.848 -4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.435 2.738 -4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.070 4.386 -3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.187 3.021 -3.680 1.00 0.00 H new ATOM 479 N PRO A 31 -4.563 5.770 -3.813 1.00 0.00 N ATOM 480 CA PRO A 31 -5.547 6.841 -3.635 1.00 0.00 C ATOM 481 C PRO A 31 -5.500 7.855 -4.775 1.00 0.00 C ATOM 482 O PRO A 31 -4.482 8.514 -4.991 1.00 0.00 O ATOM 483 CB PRO A 31 -5.136 7.505 -2.311 1.00 0.00 C ATOM 484 CG PRO A 31 -3.788 6.954 -1.982 1.00 0.00 C ATOM 485 CD PRO A 31 -3.740 5.594 -2.607 1.00 0.00 C ATOM 0 HA PRO A 31 -6.567 6.457 -3.628 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.101 8.590 -2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.854 7.281 -1.522 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.998 7.593 -2.375 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.643 6.894 -0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.721 5.295 -2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.147 4.829 -1.946 1.00 0.00 H new ATOM 493 N GLU A 32 -6.603 7.957 -5.512 1.00 0.00 N ATOM 494 CA GLU A 32 -6.703 8.877 -6.643 1.00 0.00 C ATOM 495 C GLU A 32 -6.478 10.335 -6.232 1.00 0.00 C ATOM 496 O GLU A 32 -6.562 11.237 -7.065 1.00 0.00 O ATOM 497 CB GLU A 32 -8.071 8.737 -7.312 1.00 0.00 C ATOM 498 CG GLU A 32 -8.021 8.033 -8.658 1.00 0.00 C ATOM 499 CD GLU A 32 -9.369 8.007 -9.351 1.00 0.00 C ATOM 500 OE1 GLU A 32 -10.193 7.132 -9.012 1.00 0.00 O ATOM 501 OE2 GLU A 32 -9.601 8.862 -10.230 1.00 0.00 O ATOM 0 H GLU A 32 -7.447 7.409 -5.345 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.914 8.609 -7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.736 8.186 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.504 9.728 -7.446 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.296 8.534 -9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.669 7.011 -8.517 1.00 0.00 H new ATOM 508 N GLY A 33 -6.194 10.565 -4.953 1.00 0.00 N ATOM 509 CA GLY A 33 -5.986 11.921 -4.474 1.00 0.00 C ATOM 510 C GLY A 33 -4.573 12.421 -4.716 1.00 0.00 C ATOM 511 O GLY A 33 -4.370 13.391 -5.447 1.00 0.00 O ATOM 0 H GLY A 33 -6.104 9.840 -4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.692 12.588 -4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.203 11.962 -3.407 1.00 0.00 H new ATOM 515 N THR A 34 -3.596 11.761 -4.104 1.00 0.00 N ATOM 516 CA THR A 34 -2.200 12.153 -4.253 1.00 0.00 C ATOM 517 C THR A 34 -1.433 11.127 -5.087 1.00 0.00 C ATOM 518 O THR A 34 -1.948 10.618 -6.083 1.00 0.00 O ATOM 519 CB THR A 34 -1.550 12.315 -2.875 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.525 12.632 -1.898 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.488 13.393 -2.831 1.00 0.00 C ATOM 0 H THR A 34 -3.745 10.952 -3.500 1.00 0.00 H new ATOM 0 HA THR A 34 -2.164 13.109 -4.775 1.00 0.00 H new ATOM 0 HB THR A 34 -1.075 11.356 -2.667 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.229 13.411 -1.382 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.071 13.452 -1.826 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.305 13.152 -3.539 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.932 14.352 -3.097 1.00 0.00 H new ATOM 529 N GLU A 35 -0.202 10.824 -4.678 1.00 0.00 N ATOM 530 CA GLU A 35 0.624 9.862 -5.396 1.00 0.00 C ATOM 531 C GLU A 35 1.299 8.898 -4.428 1.00 0.00 C ATOM 532 O GLU A 35 1.330 9.134 -3.221 1.00 0.00 O ATOM 533 CB GLU A 35 1.682 10.589 -6.228 1.00 0.00 C ATOM 534 CG GLU A 35 1.110 11.319 -7.433 1.00 0.00 C ATOM 535 CD GLU A 35 1.758 12.671 -7.660 1.00 0.00 C ATOM 536 OE1 GLU A 35 2.128 13.327 -6.663 1.00 0.00 O ATOM 537 OE2 GLU A 35 1.891 13.076 -8.834 1.00 0.00 O ATOM 0 H GLU A 35 0.242 11.231 -3.855 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.022 9.289 -6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.203 11.305 -5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.424 9.867 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.243 10.703 -8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.037 11.453 -7.296 1.00 0.00 H new ATOM 544 N LEU A 36 1.841 7.813 -4.971 1.00 0.00 N ATOM 545 CA LEU A 36 2.505 6.804 -4.158 1.00 0.00 C ATOM 546 C LEU A 36 3.882 7.283 -3.704 1.00 0.00 C ATOM 547 O LEU A 36 4.260 8.430 -3.940 1.00 0.00 O ATOM 548 CB LEU A 36 2.642 5.497 -4.943 1.00 0.00 C ATOM 549 CG LEU A 36 3.119 5.656 -6.389 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.453 4.956 -6.591 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.076 5.115 -7.355 1.00 0.00 C ATOM 0 H LEU A 36 1.833 7.611 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 36 1.893 6.629 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.340 4.846 -4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.676 4.991 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 36 3.257 6.718 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.776 5.080 -7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.197 5.391 -5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.344 3.894 -6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.431 5.236 -8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.906 4.058 -7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.143 5.663 -7.227 1.00 0.00 H new ATOM 563 N HIS A 37 4.608 6.403 -3.024 1.00 0.00 N ATOM 564 CA HIS A 37 5.942 6.720 -2.527 1.00 0.00 C ATOM 565 C HIS A 37 6.933 5.621 -2.890 1.00 0.00 C ATOM 566 O HIS A 37 7.676 5.733 -3.865 1.00 0.00 O ATOM 567 CB HIS A 37 5.904 6.899 -1.011 1.00 0.00 C ATOM 568 CG HIS A 37 7.216 7.311 -0.419 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.627 8.622 -0.422 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.165 6.550 0.176 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.809 8.632 0.168 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.175 7.400 0.548 1.00 0.00 N ATOM 0 H HIS A 37 4.293 5.458 -2.803 1.00 0.00 H new ATOM 0 HA HIS A 37 6.269 7.649 -2.995 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.152 7.648 -0.761 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.586 5.963 -0.552 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.133 5.481 0.328 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.404 9.520 0.324 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.040 7.143 1.023 1.00 0.00 H new ATOM 580 N LYS A 38 6.891 4.540 -2.117 1.00 0.00 N ATOM 581 CA LYS A 38 7.778 3.400 -2.306 1.00 0.00 C ATOM 582 C LYS A 38 7.205 2.181 -1.596 1.00 0.00 C ATOM 583 O LYS A 38 6.705 2.292 -0.476 1.00 0.00 O ATOM 584 CB LYS A 38 9.166 3.703 -1.735 1.00 0.00 C ATOM 585 CG LYS A 38 10.004 4.647 -2.581 1.00 0.00 C ATOM 586 CD LYS A 38 10.353 4.033 -3.929 1.00 0.00 C ATOM 587 CE LYS A 38 11.734 4.464 -4.395 1.00 0.00 C ATOM 588 NZ LYS A 38 11.711 4.997 -5.786 1.00 0.00 N ATOM 0 H LYS A 38 6.239 4.431 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 38 7.865 3.202 -3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.050 4.133 -0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.708 2.765 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.459 5.578 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.920 4.898 -2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.315 2.946 -3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.609 4.329 -4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.123 5.227 -3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.416 3.615 -4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.672 5.280 -6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.364 4.261 -6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.081 5.823 -5.831 1.00 0.00 H new ATOM 602 N ILE A 39 7.266 1.019 -2.240 1.00 0.00 N ATOM 603 CA ILE A 39 6.721 -0.190 -1.645 1.00 0.00 C ATOM 604 C ILE A 39 7.783 -0.951 -0.854 1.00 0.00 C ATOM 605 O ILE A 39 8.977 -0.674 -0.971 1.00 0.00 O ATOM 606 CB ILE A 39 6.111 -1.132 -2.696 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.393 -0.358 -3.804 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.149 -2.097 -2.031 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.548 0.798 -3.330 1.00 0.00 C ATOM 0 H ILE A 39 7.683 0.892 -3.162 1.00 0.00 H new ATOM 0 HA ILE A 39 5.930 0.138 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 39 6.928 -1.689 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.138 0.019 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.758 -1.050 -4.357 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.722 -2.761 -2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.683 -2.688 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.350 -1.537 -1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.081 1.283 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.775 0.431 -2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.177 1.517 -2.805 1.00 0.00 H new ATOM 621 N ASP A 40 7.336 -1.912 -0.049 1.00 0.00 N ATOM 622 CA ASP A 40 8.236 -2.714 0.770 1.00 0.00 C ATOM 623 C ASP A 40 7.955 -4.201 0.601 1.00 0.00 C ATOM 624 O ASP A 40 6.846 -4.662 0.863 1.00 0.00 O ATOM 625 CB ASP A 40 8.071 -2.345 2.239 1.00 0.00 C ATOM 626 CG ASP A 40 9.395 -2.271 2.974 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.098 -3.301 3.036 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.730 -1.182 3.487 1.00 0.00 O ATOM 0 H ASP A 40 6.350 -2.154 0.052 1.00 0.00 H new ATOM 0 HA ASP A 40 9.255 -2.508 0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.564 -1.383 2.313 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.431 -3.081 2.725 1.00 0.00 H new ATOM 633 N GLU A 41 8.970 -4.957 0.205 1.00 0.00 N ATOM 634 CA GLU A 41 8.821 -6.398 0.044 1.00 0.00 C ATOM 635 C GLU A 41 9.031 -7.110 1.378 1.00 0.00 C ATOM 636 O GLU A 41 10.018 -7.821 1.566 1.00 0.00 O ATOM 637 CB GLU A 41 9.809 -6.925 -0.998 1.00 0.00 C ATOM 638 CG GLU A 41 9.733 -6.198 -2.331 1.00 0.00 C ATOM 639 CD GLU A 41 10.822 -6.626 -3.294 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.994 -6.707 -2.870 1.00 0.00 O ATOM 641 OE2 GLU A 41 10.503 -6.883 -4.475 1.00 0.00 O ATOM 0 H GLU A 41 9.901 -4.600 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 41 7.808 -6.601 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.821 -6.838 -0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.621 -7.986 -1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.759 -6.382 -2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.807 -5.124 -2.159 1.00 0.00 H new ATOM 648 N GLU A 42 8.103 -6.895 2.309 1.00 0.00 N ATOM 649 CA GLU A 42 8.183 -7.512 3.629 1.00 0.00 C ATOM 650 C GLU A 42 7.359 -8.795 3.672 1.00 0.00 C ATOM 651 O GLU A 42 6.225 -8.819 3.209 1.00 0.00 O ATOM 652 CB GLU A 42 7.688 -6.540 4.701 1.00 0.00 C ATOM 653 CG GLU A 42 8.784 -6.063 5.637 1.00 0.00 C ATOM 654 CD GLU A 42 8.359 -6.083 7.092 1.00 0.00 C ATOM 655 OE1 GLU A 42 8.077 -7.183 7.613 1.00 0.00 O ATOM 656 OE2 GLU A 42 8.306 -4.999 7.710 1.00 0.00 O ATOM 0 H GLU A 42 7.287 -6.298 2.172 1.00 0.00 H new ATOM 0 HA GLU A 42 9.226 -7.759 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.234 -5.676 4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.906 -7.024 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.664 -6.694 5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.076 -5.050 5.362 1.00 0.00 H new ATOM 663 N PRO A 43 7.920 -9.883 4.226 1.00 0.00 N ATOM 664 CA PRO A 43 7.237 -11.168 4.299 1.00 0.00 C ATOM 665 C PRO A 43 6.368 -11.301 5.541 1.00 0.00 C ATOM 666 O PRO A 43 6.586 -10.623 6.544 1.00 0.00 O ATOM 667 CB PRO A 43 8.387 -12.169 4.326 1.00 0.00 C ATOM 668 CG PRO A 43 9.545 -11.436 4.932 1.00 0.00 C ATOM 669 CD PRO A 43 9.269 -9.954 4.804 1.00 0.00 C ATOM 0 HA PRO A 43 6.546 -11.314 3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.128 -13.048 4.916 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.626 -12.518 3.322 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.667 -11.713 5.979 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.472 -11.698 4.422 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.313 -9.456 5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.003 -9.467 4.162 1.00 0.00 H new ATOM 677 N ILE A 44 5.363 -12.165 5.449 1.00 0.00 N ATOM 678 CA ILE A 44 4.421 -12.368 6.540 1.00 0.00 C ATOM 679 C ILE A 44 4.348 -13.838 6.946 1.00 0.00 C ATOM 680 O ILE A 44 4.990 -14.258 7.908 1.00 0.00 O ATOM 681 CB ILE A 44 3.013 -11.879 6.146 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.118 -10.695 5.175 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.214 -11.496 7.384 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.751 -9.458 5.782 1.00 0.00 C ATOM 0 H ILE A 44 5.181 -12.738 4.625 1.00 0.00 H new ATOM 0 HA ILE A 44 4.781 -11.787 7.389 1.00 0.00 H new ATOM 0 HB ILE A 44 2.487 -12.691 5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.701 -11.001 4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.120 -10.442 4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.223 -11.153 7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.117 -12.363 8.037 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.729 -10.697 7.917 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.790 -8.665 5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.157 -9.126 6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.762 -9.693 6.115 1.00 0.00 H new ATOM 696 N ALA A 45 3.554 -14.612 6.210 1.00 0.00 N ATOM 697 CA ALA A 45 3.397 -16.035 6.489 1.00 0.00 C ATOM 698 C ALA A 45 4.692 -16.798 6.212 1.00 0.00 C ATOM 699 O ALA A 45 5.786 -16.245 6.328 1.00 0.00 O ATOM 700 CB ALA A 45 2.252 -16.606 5.665 1.00 0.00 C ATOM 0 H ALA A 45 3.009 -14.276 5.416 1.00 0.00 H new ATOM 0 HA ALA A 45 3.162 -16.152 7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.143 -17.669 5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.327 -16.088 5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.464 -16.471 4.604 1.00 0.00 H new ATOM 706 N PHE A 46 4.564 -18.069 5.838 1.00 0.00 N ATOM 707 CA PHE A 46 5.727 -18.896 5.539 1.00 0.00 C ATOM 708 C PHE A 46 6.364 -18.469 4.221 1.00 0.00 C ATOM 709 O PHE A 46 7.575 -18.592 4.036 1.00 0.00 O ATOM 710 CB PHE A 46 5.332 -20.372 5.472 1.00 0.00 C ATOM 711 CG PHE A 46 4.507 -20.830 6.642 1.00 0.00 C ATOM 712 CD1 PHE A 46 5.115 -21.250 7.814 1.00 0.00 C ATOM 713 CD2 PHE A 46 3.122 -20.846 6.566 1.00 0.00 C ATOM 714 CE1 PHE A 46 4.358 -21.673 8.891 1.00 0.00 C ATOM 715 CE2 PHE A 46 2.362 -21.269 7.639 1.00 0.00 C ATOM 716 CZ PHE A 46 2.980 -21.682 8.802 1.00 0.00 C ATOM 0 H PHE A 46 3.668 -18.546 5.735 1.00 0.00 H new ATOM 0 HA PHE A 46 6.454 -18.762 6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.773 -20.548 4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.236 -20.979 5.416 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.193 -21.247 7.887 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.633 -20.524 5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.844 -21.996 9.800 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.284 -21.277 7.568 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.386 -22.012 9.642 1.00 0.00 H new ATOM 726 N GLY A 47 5.540 -17.954 3.313 1.00 0.00 N ATOM 727 CA GLY A 47 6.038 -17.512 2.024 1.00 0.00 C ATOM 728 C GLY A 47 5.203 -16.395 1.424 1.00 0.00 C ATOM 729 O GLY A 47 5.423 -15.998 0.279 1.00 0.00 O ATOM 0 H GLY A 47 4.536 -17.835 3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.067 -17.171 2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.054 -18.357 1.336 1.00 0.00 H new ATOM 733 N LEU A 48 4.239 -15.893 2.191 1.00 0.00 N ATOM 734 CA LEU A 48 3.374 -14.817 1.720 1.00 0.00 C ATOM 735 C LEU A 48 3.948 -13.457 2.095 1.00 0.00 C ATOM 736 O LEU A 48 3.815 -13.005 3.232 1.00 0.00 O ATOM 737 CB LEU A 48 1.958 -14.971 2.291 1.00 0.00 C ATOM 738 CG LEU A 48 1.394 -16.400 2.292 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.125 -16.373 2.419 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.806 -17.152 1.035 1.00 0.00 C ATOM 0 H LEU A 48 4.038 -16.213 3.138 1.00 0.00 H new ATOM 0 HA LEU A 48 3.320 -14.880 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.956 -14.598 3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.284 -14.334 1.719 1.00 0.00 H new ATOM 0 HG LEU A 48 1.809 -16.925 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.508 -17.393 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.403 -15.882 3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.551 -15.825 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.393 -18.160 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.427 -16.628 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.893 -17.207 0.984 1.00 0.00 H new ATOM 752 N VAL A 49 4.581 -12.806 1.125 1.00 0.00 N ATOM 753 CA VAL A 49 5.207 -11.510 1.349 1.00 0.00 C ATOM 754 C VAL A 49 4.262 -10.360 1.010 1.00 0.00 C ATOM 755 O VAL A 49 3.727 -10.285 -0.096 1.00 0.00 O ATOM 756 CB VAL A 49 6.497 -11.370 0.512 1.00 0.00 C ATOM 757 CG1 VAL A 49 7.058 -9.958 0.600 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.532 -12.391 0.961 1.00 0.00 C ATOM 0 H VAL A 49 4.674 -13.158 0.172 1.00 0.00 H new ATOM 0 HA VAL A 49 5.453 -11.457 2.409 1.00 0.00 H new ATOM 0 HB VAL A 49 6.248 -11.564 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.966 -9.889 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.320 -9.249 0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.290 -9.723 1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.436 -12.280 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.771 -12.229 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.131 -13.396 0.831 1.00 0.00 H new ATOM 768 N ALA A 50 4.117 -9.434 1.953 1.00 0.00 N ATOM 769 CA ALA A 50 3.258 -8.272 1.768 1.00 0.00 C ATOM 770 C ALA A 50 4.057 -7.072 1.280 1.00 0.00 C ATOM 771 O ALA A 50 5.192 -6.851 1.700 1.00 0.00 O ATOM 772 CB ALA A 50 2.560 -7.915 3.069 1.00 0.00 C ATOM 0 H ALA A 50 4.587 -9.468 2.858 1.00 0.00 H new ATOM 0 HA ALA A 50 2.513 -8.529 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.922 -7.045 2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.951 -8.757 3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.305 -7.687 3.831 1.00 0.00 H new ATOM 778 N LEU A 51 3.442 -6.291 0.403 1.00 0.00 N ATOM 779 CA LEU A 51 4.069 -5.097 -0.134 1.00 0.00 C ATOM 780 C LEU A 51 3.525 -3.856 0.564 1.00 0.00 C ATOM 781 O LEU A 51 2.322 -3.594 0.534 1.00 0.00 O ATOM 782 CB LEU A 51 3.819 -5.016 -1.642 1.00 0.00 C ATOM 783 CG LEU A 51 4.832 -5.768 -2.507 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.847 -7.247 -2.146 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.514 -5.582 -3.983 1.00 0.00 C ATOM 0 H LEU A 51 2.502 -6.467 0.048 1.00 0.00 H new ATOM 0 HA LEU A 51 5.143 -5.147 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.824 -5.408 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.818 -3.967 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 51 5.823 -5.357 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.573 -7.767 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.122 -7.363 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.857 -7.672 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.245 -6.124 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.516 -5.967 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.553 -4.522 -4.233 1.00 0.00 H new ATOM 797 N ASN A 52 4.411 -3.113 1.216 1.00 0.00 N ATOM 798 CA ASN A 52 4.015 -1.921 1.953 1.00 0.00 C ATOM 799 C ASN A 52 4.104 -0.681 1.074 1.00 0.00 C ATOM 800 O ASN A 52 5.142 -0.025 0.997 1.00 0.00 O ATOM 801 CB ASN A 52 4.891 -1.750 3.196 1.00 0.00 C ATOM 802 CG ASN A 52 5.178 -3.069 3.892 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.243 -3.255 4.477 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.221 -3.991 3.838 1.00 0.00 N ATOM 0 H ASN A 52 5.410 -3.316 1.249 1.00 0.00 H new ATOM 0 HA ASN A 52 2.978 -2.045 2.264 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.833 -1.281 2.911 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.397 -1.074 3.894 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.356 -4.894 4.293 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.352 -3.795 3.342 1.00 0.00 H new ATOM 811 N VAL A 53 2.967 -0.315 0.506 1.00 0.00 N ATOM 812 CA VAL A 53 2.874 0.816 -0.396 1.00 0.00 C ATOM 813 C VAL A 53 2.698 2.131 0.349 1.00 0.00 C ATOM 814 O VAL A 53 1.596 2.478 0.773 1.00 0.00 O ATOM 815 CB VAL A 53 1.676 0.636 -1.344 1.00 0.00 C ATOM 816 CG1 VAL A 53 1.631 1.747 -2.380 1.00 0.00 C ATOM 817 CG2 VAL A 53 1.729 -0.731 -2.004 1.00 0.00 C ATOM 0 H VAL A 53 2.081 -0.797 0.659 1.00 0.00 H new ATOM 0 HA VAL A 53 3.809 0.853 -0.954 1.00 0.00 H new ATOM 0 HB VAL A 53 0.758 0.697 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.775 1.597 -3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.538 2.710 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.548 1.733 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.876 -0.846 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.653 -0.824 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.697 -1.506 -1.238 1.00 0.00 H new ATOM 827 N MET A 54 3.783 2.890 0.437 1.00 0.00 N ATOM 828 CA MET A 54 3.758 4.195 1.079 1.00 0.00 C ATOM 829 C MET A 54 3.335 5.262 0.079 1.00 0.00 C ATOM 830 O MET A 54 3.367 5.035 -1.129 1.00 0.00 O ATOM 831 CB MET A 54 5.135 4.533 1.653 1.00 0.00 C ATOM 832 CG MET A 54 5.463 3.775 2.930 1.00 0.00 C ATOM 833 SD MET A 54 7.235 3.662 3.237 1.00 0.00 S ATOM 834 CE MET A 54 7.326 2.108 4.121 1.00 0.00 C ATOM 0 H MET A 54 4.695 2.621 0.069 1.00 0.00 H new ATOM 0 HA MET A 54 3.036 4.167 1.895 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.896 4.313 0.904 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.184 5.603 1.853 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.983 4.270 3.774 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.044 2.770 2.869 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.363 1.898 4.382 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.729 2.171 5.031 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.941 1.307 3.490 1.00 0.00 H new ATOM 844 N VAL A 55 2.906 6.412 0.587 1.00 0.00 N ATOM 845 CA VAL A 55 2.454 7.499 -0.272 1.00 0.00 C ATOM 846 C VAL A 55 2.943 8.850 0.244 1.00 0.00 C ATOM 847 O VAL A 55 2.891 9.125 1.443 1.00 0.00 O ATOM 848 CB VAL A 55 0.914 7.517 -0.395 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.379 6.115 -0.644 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.268 8.122 0.844 1.00 0.00 C ATOM 0 H VAL A 55 2.862 6.615 1.586 1.00 0.00 H new ATOM 0 HA VAL A 55 2.881 7.323 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 55 0.656 8.144 -1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.707 6.150 -0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.802 5.723 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.659 5.466 0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.816 8.121 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.539 7.533 1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.618 9.146 0.973 1.00 0.00 H new ATOM 860 N VAL A 56 3.444 9.682 -0.664 1.00 0.00 N ATOM 861 CA VAL A 56 3.932 11.007 -0.291 1.00 0.00 C ATOM 862 C VAL A 56 2.851 12.064 -0.491 1.00 0.00 C ATOM 863 O VAL A 56 2.418 12.316 -1.616 1.00 0.00 O ATOM 864 CB VAL A 56 5.183 11.416 -1.097 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.306 11.831 -0.159 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.634 10.291 -2.014 1.00 0.00 C ATOM 0 H VAL A 56 3.523 9.465 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 56 4.202 10.948 0.763 1.00 0.00 H new ATOM 0 HB VAL A 56 4.921 12.270 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.181 12.116 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.981 12.678 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.562 10.996 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.517 10.606 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.875 9.411 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.833 10.048 -2.713 1.00 0.00 H new ATOM 876 N VAL A 57 2.421 12.679 0.605 1.00 0.00 N ATOM 877 CA VAL A 57 1.400 13.720 0.545 1.00 0.00 C ATOM 878 C VAL A 57 1.837 14.959 1.320 1.00 0.00 C ATOM 879 O VAL A 57 2.601 14.863 2.281 1.00 0.00 O ATOM 880 CB VAL A 57 0.046 13.224 1.094 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.377 11.941 0.394 1.00 0.00 C ATOM 882 CG2 VAL A 57 0.113 13.019 2.601 1.00 0.00 C ATOM 0 H VAL A 57 2.762 12.476 1.544 1.00 0.00 H new ATOM 0 HA VAL A 57 1.274 13.979 -0.506 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.704 13.989 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.334 11.607 0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.476 12.126 -0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.375 11.170 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.853 12.669 2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.878 12.278 2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.363 13.963 3.086 1.00 0.00 H new ATOM 892 N GLY A 58 1.354 16.121 0.894 1.00 0.00 N ATOM 893 CA GLY A 58 1.710 17.360 1.561 1.00 0.00 C ATOM 894 C GLY A 58 0.871 18.532 1.095 1.00 0.00 C ATOM 895 O GLY A 58 -0.017 18.993 1.814 1.00 0.00 O ATOM 0 H GLY A 58 0.723 16.227 0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.590 17.237 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.763 17.577 1.380 1.00 0.00 H new ATOM 899 N ASP A 59 1.151 19.015 -0.111 1.00 0.00 N ATOM 900 CA ASP A 59 0.414 20.138 -0.676 1.00 0.00 C ATOM 901 C ASP A 59 -0.904 19.668 -1.282 1.00 0.00 C ATOM 902 O ASP A 59 -1.702 20.473 -1.762 1.00 0.00 O ATOM 903 CB ASP A 59 1.256 20.842 -1.742 1.00 0.00 C ATOM 904 CG ASP A 59 0.861 22.294 -1.926 1.00 0.00 C ATOM 905 OD1 ASP A 59 1.134 23.104 -1.015 1.00 0.00 O ATOM 906 OD2 ASP A 59 0.279 22.623 -2.981 1.00 0.00 O ATOM 0 H ASP A 59 1.884 18.645 -0.716 1.00 0.00 H new ATOM 0 HA ASP A 59 0.196 20.842 0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.309 20.787 -1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.149 20.316 -2.691 1.00 0.00 H new ATOM 911 N ALA A 60 -1.121 18.357 -1.252 1.00 0.00 N ATOM 912 CA ALA A 60 -2.338 17.766 -1.792 1.00 0.00 C ATOM 913 C ALA A 60 -3.563 18.164 -0.969 1.00 0.00 C ATOM 914 O ALA A 60 -3.619 19.258 -0.408 1.00 0.00 O ATOM 915 CB ALA A 60 -2.198 16.254 -1.845 1.00 0.00 C ATOM 0 H ALA A 60 -0.466 17.682 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.484 18.146 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.111 15.818 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.355 15.989 -2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.027 15.869 -0.840 1.00 0.00 H new ATOM 921 N GLU A 61 -4.542 17.265 -0.900 1.00 0.00 N ATOM 922 CA GLU A 61 -5.766 17.520 -0.152 1.00 0.00 C ATOM 923 C GLU A 61 -6.316 16.232 0.442 1.00 0.00 C ATOM 924 O GLU A 61 -5.632 15.209 0.473 1.00 0.00 O ATOM 925 CB GLU A 61 -6.820 18.162 -1.057 1.00 0.00 C ATOM 926 CG GLU A 61 -6.658 17.811 -2.529 1.00 0.00 C ATOM 927 CD GLU A 61 -7.847 18.246 -3.366 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.981 18.224 -2.845 1.00 0.00 O ATOM 929 OE2 GLU A 61 -7.641 18.610 -4.543 1.00 0.00 O ATOM 0 H GLU A 61 -4.509 16.353 -1.355 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.527 18.205 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.810 17.850 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.773 19.245 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.755 18.284 -2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.522 16.734 -2.629 1.00 0.00 H new ATOM 936 N GLY A 62 -7.563 16.284 0.896 1.00 0.00 N ATOM 937 CA GLY A 62 -8.196 15.107 1.453 1.00 0.00 C ATOM 938 C GLY A 62 -8.745 14.203 0.371 1.00 0.00 C ATOM 939 O GLY A 62 -9.555 13.316 0.639 1.00 0.00 O ATOM 0 H GLY A 62 -8.146 17.121 0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.474 14.556 2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.004 15.409 2.120 1.00 0.00 H new ATOM 943 N GLY A 63 -8.297 14.435 -0.862 1.00 0.00 N ATOM 944 CA GLY A 63 -8.752 13.634 -1.982 1.00 0.00 C ATOM 945 C GLY A 63 -8.226 12.215 -1.932 1.00 0.00 C ATOM 946 O GLY A 63 -8.600 11.378 -2.755 1.00 0.00 O ATOM 0 H GLY A 63 -7.626 15.165 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.842 13.614 -1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.434 14.103 -2.913 1.00 0.00 H new ATOM 950 N THR A 64 -7.360 11.939 -0.961 1.00 0.00 N ATOM 951 CA THR A 64 -6.798 10.604 -0.804 1.00 0.00 C ATOM 952 C THR A 64 -7.834 9.662 -0.212 1.00 0.00 C ATOM 953 O THR A 64 -7.587 8.465 -0.058 1.00 0.00 O ATOM 954 CB THR A 64 -5.554 10.639 0.084 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.896 10.394 1.437 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.809 11.955 0.028 1.00 0.00 C ATOM 0 H THR A 64 -7.034 12.620 -0.275 1.00 0.00 H new ATOM 0 HA THR A 64 -6.508 10.239 -1.789 1.00 0.00 H new ATOM 0 HB THR A 64 -4.902 9.858 -0.307 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.086 10.419 1.989 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.938 11.908 0.682 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.485 12.146 -0.995 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.467 12.760 0.357 1.00 0.00 H new ATOM 964 N GLU A 65 -8.997 10.214 0.121 1.00 0.00 N ATOM 965 CA GLU A 65 -10.099 9.427 0.652 1.00 0.00 C ATOM 966 C GLU A 65 -10.437 8.292 -0.299 1.00 0.00 C ATOM 967 O GLU A 65 -10.995 7.269 0.099 1.00 0.00 O ATOM 968 CB GLU A 65 -11.326 10.312 0.846 1.00 0.00 C ATOM 969 CG GLU A 65 -11.709 11.104 -0.394 1.00 0.00 C ATOM 970 CD GLU A 65 -13.208 11.261 -0.545 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.875 11.586 0.461 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.716 11.057 -1.667 1.00 0.00 O ATOM 0 H GLU A 65 -9.199 11.210 0.031 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.799 9.011 1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.169 9.689 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.137 11.005 1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.247 12.090 -0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.309 10.606 -1.277 1.00 0.00 H new ATOM 979 N ALA A 66 -10.068 8.486 -1.555 1.00 0.00 N ATOM 980 CA ALA A 66 -10.323 7.499 -2.597 1.00 0.00 C ATOM 981 C ALA A 66 -9.704 6.154 -2.242 1.00 0.00 C ATOM 982 O ALA A 66 -10.209 5.107 -2.641 1.00 0.00 O ATOM 983 CB ALA A 66 -9.782 7.987 -3.933 1.00 0.00 C ATOM 0 H ALA A 66 -9.587 9.324 -1.881 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.402 7.367 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.980 7.239 -4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.271 8.923 -4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.707 8.149 -3.853 1.00 0.00 H new ATOM 989 N ALA A 67 -8.636 6.186 -1.450 1.00 0.00 N ATOM 990 CA ALA A 67 -7.959 4.963 -1.036 1.00 0.00 C ATOM 991 C ALA A 67 -8.905 4.073 -0.243 1.00 0.00 C ATOM 992 O ALA A 67 -9.130 2.916 -0.602 1.00 0.00 O ATOM 993 CB ALA A 67 -6.724 5.295 -0.212 1.00 0.00 C ATOM 0 H ALA A 67 -8.222 7.043 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.645 4.422 -1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.229 4.372 0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.038 5.896 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.018 5.856 0.675 1.00 0.00 H new ATOM 999 N GLU A 68 -9.483 4.629 0.816 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.431 3.891 1.639 1.00 0.00 C ATOM 1001 C GLU A 68 -11.606 3.407 0.795 1.00 0.00 C ATOM 1002 O GLU A 68 -12.149 2.327 1.028 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.935 4.767 2.788 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.833 5.241 3.721 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.280 5.300 5.168 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -10.811 4.286 5.668 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -10.098 6.361 5.802 1.00 0.00 O ATOM 0 H GLU A 68 -9.311 5.586 1.123 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.920 3.024 2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.447 5.635 2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.672 4.207 3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.977 4.572 3.636 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.497 6.229 3.408 1.00 0.00 H new ATOM 1014 N GLU A 69 -12.009 4.228 -0.173 1.00 0.00 N ATOM 1015 CA GLU A 69 -13.102 3.872 -1.069 1.00 0.00 C ATOM 1016 C GLU A 69 -12.753 2.618 -1.857 1.00 0.00 C ATOM 1017 O GLU A 69 -13.532 1.667 -1.913 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.405 5.026 -2.026 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.889 5.320 -2.171 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.159 6.636 -2.874 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.510 6.900 -3.907 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -16.020 7.401 -2.391 1.00 0.00 O ATOM 0 H GLU A 69 -11.595 5.142 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.990 3.674 -0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.898 5.924 -1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.992 4.792 -3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.363 4.511 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.350 5.339 -1.183 1.00 0.00 H new ATOM 1029 N SER A 70 -11.577 2.634 -2.476 1.00 0.00 N ATOM 1030 CA SER A 70 -11.100 1.496 -3.246 1.00 0.00 C ATOM 1031 C SER A 70 -10.902 0.288 -2.342 1.00 0.00 C ATOM 1032 O SER A 70 -10.866 -0.849 -2.808 1.00 0.00 O ATOM 1033 CB SER A 70 -9.789 1.846 -3.954 1.00 0.00 C ATOM 1034 OG SER A 70 -8.674 1.324 -3.254 1.00 0.00 O ATOM 0 H SER A 70 -10.936 3.427 -2.458 1.00 0.00 H new ATOM 0 HA SER A 70 -11.849 1.249 -3.998 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.803 1.448 -4.969 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.695 2.929 -4.037 1.00 0.00 H new ATOM 0 HG SER A 70 -8.637 1.718 -2.358 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.796 0.545 -1.040 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.606 -0.516 -0.059 1.00 0.00 C ATOM 1042 C LEU A 71 -11.897 -1.304 0.136 1.00 0.00 C ATOM 1043 O LEU A 71 -11.870 -2.497 0.438 1.00 0.00 O ATOM 1044 CB LEU A 71 -10.150 0.077 1.277 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.739 -0.314 1.727 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.636 -1.819 1.924 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.702 0.169 0.723 1.00 0.00 C ATOM 0 H LEU A 71 -10.839 1.483 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.837 -1.194 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.202 1.164 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.856 -0.228 2.049 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.539 0.170 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.626 -2.076 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.349 -2.136 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.859 -2.325 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.707 -0.119 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.899 -0.282 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.756 1.254 0.637 1.00 0.00 H new ATOM 1059 N SER A 72 -13.026 -0.628 -0.057 1.00 0.00 N ATOM 1060 CA SER A 72 -14.333 -1.257 0.080 1.00 0.00 C ATOM 1061 C SER A 72 -14.517 -2.357 -0.964 1.00 0.00 C ATOM 1062 O SER A 72 -15.448 -3.158 -0.881 1.00 0.00 O ATOM 1063 CB SER A 72 -15.439 -0.207 -0.062 1.00 0.00 C ATOM 1064 OG SER A 72 -16.147 -0.370 -1.279 1.00 0.00 O ATOM 0 H SER A 72 -13.060 0.360 -0.310 1.00 0.00 H new ATOM 0 HA SER A 72 -14.395 -1.709 1.070 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.130 -0.287 0.777 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.004 0.791 -0.022 1.00 0.00 H new ATOM 0 HG SER A 72 -16.848 0.312 -1.344 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.615 -2.386 -1.939 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.671 -3.390 -2.987 1.00 0.00 C ATOM 1072 C GLY A 73 -12.294 -3.702 -3.535 1.00 0.00 C ATOM 1073 O GLY A 73 -12.149 -4.121 -4.684 1.00 0.00 O ATOM 0 H GLY A 73 -12.841 -1.727 -2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.122 -4.301 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.313 -3.038 -3.794 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.286 -3.482 -2.703 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.897 -3.710 -3.081 1.00 0.00 C ATOM 1079 C ILE A 74 -9.579 -5.207 -3.144 1.00 0.00 C ATOM 1080 O ILE A 74 -10.486 -6.039 -3.173 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.948 -2.999 -2.088 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.627 -2.634 -2.766 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.706 -3.856 -0.852 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.152 -1.235 -2.443 1.00 0.00 C ATOM 0 H ILE A 74 -11.406 -3.141 -1.749 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.744 -3.292 -4.076 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.430 -2.076 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.862 -3.349 -2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.743 -2.730 -3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -8.035 -3.332 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.655 -4.048 -0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.254 -4.803 -1.148 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.210 -1.043 -2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.899 -0.512 -2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.004 -1.140 -1.367 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.287 -5.540 -3.159 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.844 -6.923 -3.215 1.00 0.00 C ATOM 1098 C GLU A 75 -8.541 -7.768 -2.149 1.00 0.00 C ATOM 1099 O GLU A 75 -8.180 -7.729 -0.973 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.326 -6.974 -3.025 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.576 -7.390 -4.277 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.574 -6.315 -5.346 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -6.097 -5.210 -5.083 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -5.049 -6.577 -6.449 1.00 0.00 O ATOM 0 H GLU A 75 -7.528 -4.860 -3.133 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.105 -7.337 -4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.974 -5.992 -2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.091 -7.671 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.547 -7.636 -4.014 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.027 -8.296 -4.681 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.559 -8.517 -2.575 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.322 -9.344 -1.654 1.00 0.00 C ATOM 1113 C GLY A 76 -9.505 -10.477 -1.064 1.00 0.00 C ATOM 1114 O GLY A 76 -9.735 -10.886 0.075 1.00 0.00 O ATOM 0 H GLY A 76 -9.869 -8.565 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.706 -8.721 -0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.185 -9.758 -2.175 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.549 -10.982 -1.834 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.691 -12.066 -1.371 1.00 0.00 C ATOM 1120 C VAL A 77 -6.511 -11.509 -0.594 1.00 0.00 C ATOM 1121 O VAL A 77 -6.083 -12.083 0.405 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.162 -12.912 -2.545 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.495 -14.181 -2.034 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -8.286 -13.244 -3.513 1.00 0.00 C ATOM 0 H VAL A 77 -8.348 -10.659 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.295 -12.704 -0.726 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.414 -12.328 -3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.128 -14.765 -2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.660 -13.917 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.219 -14.771 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.893 -13.842 -4.335 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.060 -13.808 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.712 -12.321 -3.906 1.00 0.00 H new ATOM 1134 N SER A 78 -6.024 -10.359 -1.035 1.00 0.00 N ATOM 1135 CA SER A 78 -4.908 -9.700 -0.382 1.00 0.00 C ATOM 1136 C SER A 78 -5.406 -8.648 0.598 1.00 0.00 C ATOM 1137 O SER A 78 -5.608 -7.491 0.226 1.00 0.00 O ATOM 1138 CB SER A 78 -3.992 -9.045 -1.421 1.00 0.00 C ATOM 1139 OG SER A 78 -2.918 -8.363 -0.798 1.00 0.00 O ATOM 0 H SER A 78 -6.388 -9.862 -1.848 1.00 0.00 H new ATOM 0 HA SER A 78 -4.343 -10.454 0.167 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.601 -9.806 -2.096 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.567 -8.346 -2.028 1.00 0.00 H new ATOM 0 HG SER A 78 -3.173 -7.431 -0.634 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.615 -9.050 1.849 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.045 -8.100 2.869 1.00 0.00 C ATOM 1147 C ASN A 79 -4.860 -7.281 3.306 1.00 0.00 C ATOM 1148 O ASN A 79 -3.777 -7.812 3.560 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.672 -8.782 4.083 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.678 -7.885 4.802 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -8.779 -8.326 5.131 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -7.315 -6.616 5.053 1.00 0.00 N ATOM 0 H ASN A 79 -5.496 -10.009 2.176 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.814 -7.466 2.427 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.169 -9.698 3.765 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.885 -9.072 4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.960 -5.986 5.530 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.395 -6.283 4.767 1.00 0.00 H new ATOM 1159 N ILE A 80 -5.062 -5.988 3.374 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.992 -5.082 3.689 1.00 0.00 C ATOM 1161 C ILE A 80 -4.028 -4.613 5.131 1.00 0.00 C ATOM 1162 O ILE A 80 -5.096 -4.431 5.718 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.074 -3.850 2.785 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.259 -4.265 1.326 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.839 -2.996 2.953 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.689 -4.150 0.844 1.00 0.00 C ATOM 0 H ILE A 80 -5.964 -5.540 3.214 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.063 -5.629 3.530 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.942 -3.258 3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.620 -3.646 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.924 -5.295 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.910 -2.123 2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.759 -2.672 3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.956 -3.576 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.747 -4.460 -0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.330 -4.791 1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.021 -3.116 0.934 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.844 -4.351 5.669 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.722 -3.748 6.976 1.00 0.00 C ATOM 1180 C GLU A 81 -2.807 -2.250 6.772 1.00 0.00 C ATOM 1181 O GLU A 81 -1.799 -1.540 6.794 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.400 -4.134 7.641 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.339 -3.787 9.121 1.00 0.00 C ATOM 1184 CD GLU A 81 -1.174 -5.011 10.001 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -2.086 -5.863 10.011 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -0.131 -5.115 10.681 1.00 0.00 O ATOM 0 H GLU A 81 -1.954 -4.550 5.212 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.514 -4.098 7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.242 -5.206 7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.583 -3.631 7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.508 -3.104 9.296 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.250 -3.260 9.405 1.00 0.00 H new ATOM 1193 N VAL A 82 -4.013 -1.808 6.446 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.267 -0.427 6.089 1.00 0.00 C ATOM 1195 C VAL A 82 -4.373 0.451 7.333 1.00 0.00 C ATOM 1196 O VAL A 82 -5.337 1.193 7.523 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.554 -0.336 5.241 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.843 1.104 4.840 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.434 -1.211 4.007 1.00 0.00 C ATOM 0 H VAL A 82 -4.842 -2.401 6.423 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.428 -0.059 5.498 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.386 -0.693 5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.755 1.140 4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.971 1.712 5.735 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.010 1.492 4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.348 -1.137 3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.588 -0.878 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.280 -2.247 4.309 1.00 0.00 H new ATOM 1209 N THR A 83 -3.380 0.321 8.204 1.00 0.00 N ATOM 1210 CA THR A 83 -3.324 1.110 9.423 1.00 0.00 C ATOM 1211 C THR A 83 -1.934 1.709 9.635 1.00 0.00 C ATOM 1212 O THR A 83 -1.642 2.231 10.710 1.00 0.00 O ATOM 1213 CB THR A 83 -3.707 0.248 10.627 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.719 -0.679 10.276 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.209 1.056 11.802 1.00 0.00 C ATOM 0 H THR A 83 -2.601 -0.327 8.086 1.00 0.00 H new ATOM 0 HA THR A 83 -4.036 1.930 9.323 1.00 0.00 H new ATOM 0 HB THR A 83 -2.791 -0.263 10.924 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.950 -1.223 11.058 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.464 0.385 12.623 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.432 1.748 12.127 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.094 1.618 11.505 1.00 0.00 H new ATOM 1223 N ASP A 84 -1.048 1.563 8.646 1.00 0.00 N ATOM 1224 CA ASP A 84 0.305 2.072 8.781 1.00 0.00 C ATOM 1225 C ASP A 84 0.378 3.548 8.411 1.00 0.00 C ATOM 1226 O ASP A 84 -0.285 4.001 7.479 1.00 0.00 O ATOM 1227 CB ASP A 84 1.265 1.253 7.920 1.00 0.00 C ATOM 1228 CG ASP A 84 1.456 -0.156 8.446 1.00 0.00 C ATOM 1229 OD1 ASP A 84 0.469 -0.920 8.469 1.00 0.00 O ATOM 1230 OD2 ASP A 84 2.593 -0.493 8.838 1.00 0.00 O ATOM 0 H ASP A 84 -1.246 1.102 7.758 1.00 0.00 H new ATOM 0 HA ASP A 84 0.602 1.977 9.825 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.885 1.208 6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.231 1.756 7.879 1.00 0.00 H new ATOM 1235 N VAL A 85 1.200 4.287 9.146 1.00 0.00 N ATOM 1236 CA VAL A 85 1.358 5.717 8.918 1.00 0.00 C ATOM 1237 C VAL A 85 2.781 6.170 9.239 1.00 0.00 C ATOM 1238 O VAL A 85 3.487 5.526 10.015 1.00 0.00 O ATOM 1239 CB VAL A 85 0.358 6.525 9.769 1.00 0.00 C ATOM 1240 CG1 VAL A 85 0.790 6.567 11.228 1.00 0.00 C ATOM 1241 CG2 VAL A 85 0.191 7.930 9.210 1.00 0.00 C ATOM 0 H VAL A 85 1.769 3.917 9.908 1.00 0.00 H new ATOM 0 HA VAL A 85 1.158 5.902 7.863 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.609 6.023 9.723 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.067 7.143 11.805 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.842 5.552 11.621 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.771 7.036 11.304 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.519 8.484 9.824 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.154 8.441 9.217 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.182 7.873 8.187 1.00 0.00 H new ATOM 1251 N ARG A 86 3.186 7.289 8.649 1.00 0.00 N ATOM 1252 CA ARG A 86 4.528 7.817 8.850 1.00 0.00 C ATOM 1253 C ARG A 86 4.532 9.338 8.850 1.00 0.00 C ATOM 1254 O ARG A 86 4.397 9.973 7.806 1.00 0.00 O ATOM 1255 CB ARG A 86 5.458 7.307 7.757 1.00 0.00 C ATOM 1256 CG ARG A 86 6.015 5.932 8.049 1.00 0.00 C ATOM 1257 CD ARG A 86 7.528 5.963 8.171 1.00 0.00 C ATOM 1258 NE ARG A 86 8.011 7.193 8.796 1.00 0.00 N ATOM 1259 CZ ARG A 86 9.252 7.353 9.247 1.00 0.00 C ATOM 1260 NH1 ARG A 86 10.133 6.367 9.142 1.00 0.00 N ATOM 1261 NH2 ARG A 86 9.614 8.502 9.802 1.00 0.00 N ATOM 0 H ARG A 86 2.602 7.848 8.027 1.00 0.00 H new ATOM 0 HA ARG A 86 4.879 7.473 9.823 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.917 7.281 6.811 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.283 8.008 7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.581 5.551 8.974 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.726 5.244 7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.860 5.106 8.757 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.972 5.863 7.180 1.00 0.00 H new ATOM 0 HE ARG A 86 7.360 7.972 8.892 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.860 5.482 8.714 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.084 6.494 9.489 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.940 9.264 9.883 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.566 8.624 10.148 1.00 0.00 H new ATOM 1275 N ARG A 87 4.670 9.909 10.036 1.00 0.00 N ATOM 1276 CA ARG A 87 4.715 11.358 10.188 1.00 0.00 C ATOM 1277 C ARG A 87 6.123 11.888 9.940 1.00 0.00 C ATOM 1278 O ARG A 87 6.890 12.096 10.882 1.00 0.00 O ATOM 1279 CB ARG A 87 4.241 11.759 11.585 1.00 0.00 C ATOM 1280 CG ARG A 87 2.727 11.800 11.722 1.00 0.00 C ATOM 1281 CD ARG A 87 2.220 13.226 11.859 1.00 0.00 C ATOM 1282 NE ARG A 87 1.293 13.371 12.979 1.00 0.00 N ATOM 1283 CZ ARG A 87 1.657 13.790 14.188 1.00 0.00 C ATOM 1284 NH1 ARG A 87 2.923 14.104 14.433 1.00 0.00 N ATOM 1285 NH2 ARG A 87 0.755 13.894 15.154 1.00 0.00 N ATOM 0 H ARG A 87 4.753 9.391 10.911 1.00 0.00 H new ATOM 0 HA ARG A 87 4.048 11.798 9.447 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.645 11.056 12.313 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.647 12.740 11.830 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.269 11.332 10.851 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.423 11.219 12.593 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.065 13.900 11.998 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.723 13.525 10.936 1.00 0.00 H new ATOM 0 HE ARG A 87 0.312 13.138 12.825 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.621 14.024 13.693 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.198 14.425 15.361 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.219 13.653 14.971 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.035 14.215 16.081 1.00 0.00 H new ATOM 1299 N LEU A 88 6.468 12.100 8.672 1.00 0.00 N ATOM 1300 CA LEU A 88 7.787 12.617 8.325 1.00 0.00 C ATOM 1301 C LEU A 88 7.829 14.127 8.495 1.00 0.00 C ATOM 1302 O LEU A 88 7.611 14.868 7.538 1.00 0.00 O ATOM 1303 CB LEU A 88 8.151 12.259 6.884 1.00 0.00 C ATOM 1304 CG LEU A 88 8.850 10.919 6.694 1.00 0.00 C ATOM 1305 CD1 LEU A 88 7.930 9.774 7.087 1.00 0.00 C ATOM 1306 CD2 LEU A 88 9.290 10.785 5.249 1.00 0.00 C ATOM 0 H LEU A 88 5.857 11.923 7.874 1.00 0.00 H new ATOM 0 HA LEU A 88 8.511 12.158 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.239 12.260 6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.794 13.044 6.485 1.00 0.00 H new ATOM 0 HG LEU A 88 9.727 10.876 7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.448 8.826 6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.646 9.878 8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.035 9.796 6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.791 9.827 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.418 10.838 4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.978 11.594 5.002 1.00 0.00 H new ATOM 1318 N MET A 89 8.101 14.576 9.716 1.00 0.00 N ATOM 1319 CA MET A 89 8.166 16.003 10.011 1.00 0.00 C ATOM 1320 C MET A 89 9.592 16.524 9.871 1.00 0.00 C ATOM 1321 O MET A 89 9.774 17.760 9.873 1.00 0.00 O ATOM 1322 CB MET A 89 7.647 16.281 11.425 1.00 0.00 C ATOM 1323 CG MET A 89 6.676 15.230 11.939 1.00 0.00 C ATOM 1324 SD MET A 89 5.266 15.948 12.805 1.00 0.00 S ATOM 1325 CE MET A 89 4.175 16.309 11.432 1.00 0.00 C ATOM 1326 OXT MET A 89 10.517 15.692 9.761 1.00 0.00 O ATOM 0 H MET A 89 8.280 13.972 10.518 1.00 0.00 H new ATOM 0 HA MET A 89 7.535 16.524 9.291 1.00 0.00 H new ATOM 0 HB2 MET A 89 8.495 16.344 12.107 1.00 0.00 H new ATOM 0 HB3 MET A 89 7.155 17.254 11.437 1.00 0.00 H new ATOM 0 HG2 MET A 89 6.317 14.633 11.101 1.00 0.00 H new ATOM 0 HG3 MET A 89 7.203 14.552 12.611 1.00 0.00 H new ATOM 0 HE1 MET A 89 3.167 16.487 11.806 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.530 17.197 10.909 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.163 15.463 10.745 1.00 0.00 H new TER 1336 MET A 89