USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=16 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 Set 1.1: A 7 THR OG1 : rot 180:sc= -0.044 USER MOD Set 1.2: A 54 MET CE :methyl -168:sc= 0 (180deg=-0.374) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 143:sc= -0.244 (180deg=0) USER MOD Set 2.2: A 52 ASN : amide:sc= -7.39! C(o=-7.6!,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= -1.46 (180deg=-4.54!) USER MOD Single : A 11 MET CE :methyl -153:sc= -1.94 (180deg=-3.79!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -130:sc= -0.0303 (180deg=-0.246) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.19) USER MOD Single : A 34 THR OG1 : rot -120:sc= -2.67! USER MOD Single : A 37 HIS : no HD1:sc= -3.75! C(o=-3.7!,f=-7.8!) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc=-0.00664 (180deg=-0.358) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.212 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.0818 F(o=-3.5!,f=-0.082) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -167:sc= -0.948 (180deg=-1.46!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.008 14.123 7.489 1.00 0.00 N ATOM 2 CA MET A 1 11.229 14.999 6.310 1.00 0.00 C ATOM 3 C MET A 1 10.431 16.298 6.430 1.00 0.00 C ATOM 4 O MET A 1 10.976 17.344 6.784 1.00 0.00 O ATOM 5 CB MET A 1 10.815 14.231 5.051 1.00 0.00 C ATOM 6 CG MET A 1 10.992 15.024 3.765 1.00 0.00 C ATOM 7 SD MET A 1 12.702 15.529 3.492 1.00 0.00 S ATOM 8 CE MET A 1 12.862 15.246 1.730 1.00 0.00 C ATOM 0 H1 MET A 1 10.967 13.130 7.181 1.00 0.00 H new ATOM 0 H2 MET A 1 11.791 14.244 8.163 1.00 0.00 H new ATOM 0 H3 MET A 1 10.112 14.380 7.949 1.00 0.00 H new ATOM 0 HA MET A 1 12.283 15.270 6.254 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.401 13.315 4.986 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.770 13.935 5.144 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.656 14.421 2.921 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.356 15.909 3.798 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.869 15.513 1.409 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.678 14.194 1.512 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.136 15.859 1.196 1.00 0.00 H new ATOM 20 N GLY A 2 9.140 16.219 6.131 1.00 0.00 N ATOM 21 CA GLY A 2 8.271 17.379 6.212 1.00 0.00 C ATOM 22 C GLY A 2 6.892 17.071 5.666 1.00 0.00 C ATOM 23 O GLY A 2 5.931 17.800 5.912 1.00 0.00 O ATOM 0 H GLY A 2 8.675 15.362 5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 2 8.190 17.704 7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 2 8.710 18.205 5.653 1.00 0.00 H new ATOM 27 N ASP A 3 6.828 16.023 4.853 1.00 0.00 N ATOM 28 CA ASP A 3 5.575 15.568 4.258 1.00 0.00 C ATOM 29 C ASP A 3 4.949 14.449 5.083 1.00 0.00 C ATOM 30 O ASP A 3 5.617 13.828 5.909 1.00 0.00 O ATOM 31 CB ASP A 3 5.814 15.087 2.826 1.00 0.00 C ATOM 32 CG ASP A 3 6.100 16.231 1.873 1.00 0.00 C ATOM 33 OD1 ASP A 3 5.132 16.848 1.379 1.00 0.00 O ATOM 34 OD2 ASP A 3 7.290 16.510 1.620 1.00 0.00 O ATOM 0 H ASP A 3 7.640 15.466 4.588 1.00 0.00 H new ATOM 0 HA ASP A 3 4.884 16.411 4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.652 14.390 2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.938 14.539 2.479 1.00 0.00 H new ATOM 39 N VAL A 4 3.674 14.171 4.830 1.00 0.00 N ATOM 40 CA VAL A 4 2.987 13.087 5.517 1.00 0.00 C ATOM 41 C VAL A 4 2.972 11.833 4.641 1.00 0.00 C ATOM 42 O VAL A 4 2.437 11.839 3.535 1.00 0.00 O ATOM 43 CB VAL A 4 1.553 13.503 5.921 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.536 12.411 5.633 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.521 13.887 7.391 1.00 0.00 C ATOM 0 H VAL A 4 3.100 14.679 4.158 1.00 0.00 H new ATOM 0 HA VAL A 4 3.531 12.860 6.434 1.00 0.00 H new ATOM 0 HB VAL A 4 1.275 14.365 5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.456 12.749 5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.535 12.187 4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.798 11.513 6.193 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.508 14.179 7.669 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.832 13.036 7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.200 14.722 7.564 1.00 0.00 H new ATOM 55 N VAL A 5 3.603 10.772 5.125 1.00 0.00 N ATOM 56 CA VAL A 5 3.689 9.529 4.368 1.00 0.00 C ATOM 57 C VAL A 5 2.833 8.431 4.996 1.00 0.00 C ATOM 58 O VAL A 5 3.053 8.043 6.140 1.00 0.00 O ATOM 59 CB VAL A 5 5.149 9.038 4.270 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.210 7.599 3.776 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.956 9.953 3.363 1.00 0.00 C ATOM 0 H VAL A 5 4.062 10.746 6.036 1.00 0.00 H new ATOM 0 HA VAL A 5 3.312 9.742 3.368 1.00 0.00 H new ATOM 0 HB VAL A 5 5.586 9.067 5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.250 7.279 3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.671 6.953 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.753 7.534 2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.983 9.593 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.516 9.958 2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.949 10.965 3.768 1.00 0.00 H new ATOM 71 N ALA A 6 1.875 7.921 4.231 1.00 0.00 N ATOM 72 CA ALA A 6 1.029 6.827 4.697 1.00 0.00 C ATOM 73 C ALA A 6 1.601 5.501 4.217 1.00 0.00 C ATOM 74 O ALA A 6 2.501 5.486 3.382 1.00 0.00 O ATOM 75 CB ALA A 6 -0.400 7.008 4.205 1.00 0.00 C ATOM 0 H ALA A 6 1.664 8.246 3.287 1.00 0.00 H new ATOM 0 HA ALA A 6 1.010 6.830 5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.015 6.182 4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.799 7.949 4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.410 7.023 3.115 1.00 0.00 H new ATOM 81 N THR A 7 1.103 4.389 4.750 1.00 0.00 N ATOM 82 CA THR A 7 1.609 3.084 4.343 1.00 0.00 C ATOM 83 C THR A 7 0.499 2.041 4.243 1.00 0.00 C ATOM 84 O THR A 7 -0.313 1.865 5.165 1.00 0.00 O ATOM 85 CB THR A 7 2.702 2.610 5.297 1.00 0.00 C ATOM 86 OG1 THR A 7 3.642 3.642 5.537 1.00 0.00 O ATOM 87 CG2 THR A 7 3.457 1.406 4.780 1.00 0.00 C ATOM 0 H THR A 7 0.363 4.365 5.452 1.00 0.00 H new ATOM 0 HA THR A 7 2.035 3.201 3.346 1.00 0.00 H new ATOM 0 HB THR A 7 2.187 2.330 6.216 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.333 3.318 6.152 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.220 1.117 5.503 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.764 0.577 4.633 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.932 1.654 3.831 1.00 0.00 H new ATOM 95 N ILE A 8 0.507 1.334 3.112 1.00 0.00 N ATOM 96 CA ILE A 8 -0.483 0.311 2.805 1.00 0.00 C ATOM 97 C ILE A 8 0.193 -1.051 2.590 1.00 0.00 C ATOM 98 O ILE A 8 0.856 -1.265 1.579 1.00 0.00 O ATOM 99 CB ILE A 8 -1.265 0.698 1.531 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.441 2.220 1.444 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.604 0.006 1.507 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.505 2.774 2.372 1.00 0.00 C ATOM 0 H ILE A 8 1.207 1.459 2.381 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.169 0.237 3.649 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.692 0.372 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.489 2.699 1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.694 2.488 0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.144 0.289 0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.456 -1.074 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.182 0.302 2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.567 3.855 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.468 2.325 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.245 2.540 3.404 1.00 0.00 H new ATOM 114 N LYS A 9 0.074 -1.945 3.574 1.00 0.00 N ATOM 115 CA LYS A 9 0.719 -3.263 3.502 1.00 0.00 C ATOM 116 C LYS A 9 -0.235 -4.341 2.997 1.00 0.00 C ATOM 117 O LYS A 9 -0.963 -4.951 3.775 1.00 0.00 O ATOM 118 CB LYS A 9 1.265 -3.667 4.867 1.00 0.00 C ATOM 119 CG LYS A 9 1.415 -2.509 5.846 1.00 0.00 C ATOM 120 CD LYS A 9 2.860 -2.079 5.998 1.00 0.00 C ATOM 121 CE LYS A 9 3.624 -2.998 6.936 1.00 0.00 C ATOM 122 NZ LYS A 9 5.087 -2.722 6.915 1.00 0.00 N ATOM 0 H LYS A 9 -0.460 -1.784 4.428 1.00 0.00 H new ATOM 0 HA LYS A 9 1.539 -3.176 2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.603 -4.415 5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.237 -4.142 4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.819 -1.664 5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.020 -2.803 6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.343 -2.074 5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.898 -1.058 6.378 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.246 -2.876 7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.446 -4.035 6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.476 -2.836 7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.557 -3.388 6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.252 -1.749 6.588 1.00 0.00 H new ATOM 136 N VAL A 10 -0.209 -4.589 1.697 1.00 0.00 N ATOM 137 CA VAL A 10 -1.122 -5.557 1.081 1.00 0.00 C ATOM 138 C VAL A 10 -0.506 -6.958 1.013 1.00 0.00 C ATOM 139 O VAL A 10 0.665 -7.114 0.674 1.00 0.00 O ATOM 140 CB VAL A 10 -1.557 -5.096 -0.336 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.214 -3.628 -0.554 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.935 -5.954 -1.429 1.00 0.00 C ATOM 0 H VAL A 10 0.431 -4.138 1.043 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.005 -5.608 1.718 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.638 -5.218 -0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.527 -3.326 -1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.731 -3.020 0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.138 -3.487 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.266 -5.597 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.151 -5.889 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.245 -6.991 -1.298 1.00 0.00 H new ATOM 152 N MET A 11 -1.307 -7.976 1.342 1.00 0.00 N ATOM 153 CA MET A 11 -0.830 -9.358 1.309 1.00 0.00 C ATOM 154 C MET A 11 -1.948 -10.341 0.924 1.00 0.00 C ATOM 155 O MET A 11 -2.954 -10.473 1.630 1.00 0.00 O ATOM 156 CB MET A 11 -0.196 -9.736 2.663 1.00 0.00 C ATOM 157 CG MET A 11 -0.828 -10.930 3.370 1.00 0.00 C ATOM 158 SD MET A 11 0.280 -12.347 3.463 1.00 0.00 S ATOM 159 CE MET A 11 -0.884 -13.660 3.817 1.00 0.00 C ATOM 0 H MET A 11 -2.279 -7.869 1.631 1.00 0.00 H new ATOM 0 HA MET A 11 -0.066 -9.430 0.535 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.861 -9.948 2.504 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.252 -8.872 3.325 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.122 -10.637 4.378 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.738 -11.219 2.844 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.378 -14.458 4.360 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.700 -13.269 4.424 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.284 -14.054 2.882 1.00 0.00 H new ATOM 169 N PRO A 12 -1.764 -11.070 -0.198 1.00 0.00 N ATOM 170 CA PRO A 12 -2.727 -12.070 -0.683 1.00 0.00 C ATOM 171 C PRO A 12 -2.760 -13.313 0.199 1.00 0.00 C ATOM 172 O PRO A 12 -1.738 -13.965 0.414 1.00 0.00 O ATOM 173 CB PRO A 12 -2.212 -12.426 -2.088 1.00 0.00 C ATOM 174 CG PRO A 12 -1.233 -11.353 -2.419 1.00 0.00 C ATOM 175 CD PRO A 12 -0.623 -10.954 -1.108 1.00 0.00 C ATOM 0 HA PRO A 12 -3.746 -11.684 -0.678 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.740 -13.409 -2.099 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.026 -12.455 -2.812 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.473 -11.714 -3.112 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.725 -10.506 -2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.197 -11.613 -0.821 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.223 -9.940 -1.135 1.00 0.00 H new ATOM 183 N GLU A 13 -3.940 -13.619 0.723 1.00 0.00 N ATOM 184 CA GLU A 13 -4.131 -14.776 1.589 1.00 0.00 C ATOM 185 C GLU A 13 -3.724 -16.066 0.890 1.00 0.00 C ATOM 186 O GLU A 13 -3.311 -17.029 1.536 1.00 0.00 O ATOM 187 CB GLU A 13 -5.592 -14.866 2.035 1.00 0.00 C ATOM 188 CG GLU A 13 -5.807 -14.498 3.494 1.00 0.00 C ATOM 189 CD GLU A 13 -5.316 -15.571 4.447 1.00 0.00 C ATOM 190 OE1 GLU A 13 -6.065 -16.543 4.681 1.00 0.00 O ATOM 191 OE2 GLU A 13 -4.185 -15.439 4.959 1.00 0.00 O ATOM 0 H GLU A 13 -4.788 -13.075 0.561 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.493 -14.647 2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.195 -14.207 1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.952 -15.881 1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.290 -13.563 3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.869 -14.322 3.667 1.00 0.00 H new ATOM 198 N SER A 14 -3.874 -16.094 -0.430 1.00 0.00 N ATOM 199 CA SER A 14 -3.532 -17.275 -1.211 1.00 0.00 C ATOM 200 C SER A 14 -2.024 -17.381 -1.410 1.00 0.00 C ATOM 201 O SER A 14 -1.329 -16.369 -1.491 1.00 0.00 O ATOM 202 CB SER A 14 -4.239 -17.238 -2.567 1.00 0.00 C ATOM 203 OG SER A 14 -5.356 -18.110 -2.585 1.00 0.00 O ATOM 0 H SER A 14 -4.230 -15.312 -0.980 1.00 0.00 H new ATOM 0 HA SER A 14 -3.867 -18.153 -0.659 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.565 -16.220 -2.783 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.539 -17.522 -3.353 1.00 0.00 H new ATOM 0 HG SER A 14 -5.791 -18.066 -3.462 1.00 0.00 H new ATOM 209 N PRO A 15 -1.494 -18.616 -1.496 1.00 0.00 N ATOM 210 CA PRO A 15 -0.060 -18.843 -1.700 1.00 0.00 C ATOM 211 C PRO A 15 0.408 -18.322 -3.054 1.00 0.00 C ATOM 212 O PRO A 15 1.602 -18.326 -3.356 1.00 0.00 O ATOM 213 CB PRO A 15 0.080 -20.366 -1.630 1.00 0.00 C ATOM 214 CG PRO A 15 -1.276 -20.892 -1.958 1.00 0.00 C ATOM 215 CD PRO A 15 -2.248 -19.881 -1.419 1.00 0.00 C ATOM 0 HA PRO A 15 0.548 -18.320 -0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.826 -20.727 -2.338 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.400 -20.688 -0.639 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.398 -21.016 -3.034 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.437 -21.870 -1.504 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.161 -19.843 -2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.544 -20.112 -0.396 1.00 0.00 H new ATOM 223 N ASP A 16 -0.547 -17.885 -3.869 1.00 0.00 N ATOM 224 CA ASP A 16 -0.243 -17.344 -5.185 1.00 0.00 C ATOM 225 C ASP A 16 -0.064 -15.833 -5.115 1.00 0.00 C ATOM 226 O ASP A 16 -0.422 -15.111 -6.045 1.00 0.00 O ATOM 227 CB ASP A 16 -1.359 -17.694 -6.172 1.00 0.00 C ATOM 228 CG ASP A 16 -1.288 -19.135 -6.637 1.00 0.00 C ATOM 229 OD1 ASP A 16 -0.237 -19.532 -7.184 1.00 0.00 O ATOM 230 OD2 ASP A 16 -2.283 -19.867 -6.455 1.00 0.00 O ATOM 0 H ASP A 16 -1.540 -17.896 -3.638 1.00 0.00 H new ATOM 0 HA ASP A 16 0.690 -17.789 -5.532 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.326 -17.514 -5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.297 -17.033 -7.036 1.00 0.00 H new ATOM 235 N VAL A 17 0.481 -15.361 -3.997 1.00 0.00 N ATOM 236 CA VAL A 17 0.704 -13.934 -3.806 1.00 0.00 C ATOM 237 C VAL A 17 1.776 -13.434 -4.777 1.00 0.00 C ATOM 238 O VAL A 17 2.976 -13.475 -4.498 1.00 0.00 O ATOM 239 CB VAL A 17 1.053 -13.584 -2.330 1.00 0.00 C ATOM 240 CG1 VAL A 17 1.524 -14.810 -1.575 1.00 0.00 C ATOM 241 CG2 VAL A 17 2.066 -12.447 -2.217 1.00 0.00 C ATOM 0 H VAL A 17 0.775 -15.944 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.229 -13.416 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 17 0.132 -13.228 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.761 -14.536 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.736 -15.564 -1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.414 -15.214 -2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.272 -12.246 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.990 -12.732 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.660 -11.550 -2.685 1.00 0.00 H new ATOM 251 N ASP A 18 1.326 -13.067 -5.970 1.00 0.00 N ATOM 252 CA ASP A 18 2.214 -12.552 -7.006 1.00 0.00 C ATOM 253 C ASP A 18 2.739 -11.182 -6.611 1.00 0.00 C ATOM 254 O ASP A 18 2.014 -10.193 -6.659 1.00 0.00 O ATOM 255 CB ASP A 18 1.480 -12.475 -8.343 1.00 0.00 C ATOM 256 CG ASP A 18 1.029 -13.836 -8.834 1.00 0.00 C ATOM 257 OD1 ASP A 18 1.813 -14.800 -8.716 1.00 0.00 O ATOM 258 OD2 ASP A 18 -0.111 -13.938 -9.335 1.00 0.00 O ATOM 0 H ASP A 18 0.345 -13.117 -6.246 1.00 0.00 H new ATOM 0 HA ASP A 18 3.059 -13.232 -7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.613 -11.823 -8.241 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.134 -12.022 -9.088 1.00 0.00 H new ATOM 263 N LEU A 19 3.992 -11.143 -6.183 1.00 0.00 N ATOM 264 CA LEU A 19 4.616 -9.905 -5.740 1.00 0.00 C ATOM 265 C LEU A 19 4.663 -8.872 -6.857 1.00 0.00 C ATOM 266 O LEU A 19 4.210 -7.740 -6.685 1.00 0.00 O ATOM 267 CB LEU A 19 6.034 -10.189 -5.239 1.00 0.00 C ATOM 268 CG LEU A 19 6.518 -9.285 -4.105 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.635 -9.962 -3.324 1.00 0.00 C ATOM 270 CD2 LEU A 19 6.985 -7.946 -4.654 1.00 0.00 C ATOM 0 H LEU A 19 4.600 -11.960 -6.133 1.00 0.00 H new ATOM 0 HA LEU A 19 4.013 -9.497 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.082 -11.225 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.724 -10.094 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 19 5.684 -9.106 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.968 -9.305 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.268 -10.896 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.471 -10.171 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.326 -7.315 -3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.805 -8.106 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.159 -7.456 -5.169 1.00 0.00 H new ATOM 282 N GLU A 20 5.193 -9.271 -8.007 1.00 0.00 N ATOM 283 CA GLU A 20 5.335 -8.357 -9.133 1.00 0.00 C ATOM 284 C GLU A 20 3.983 -8.018 -9.735 1.00 0.00 C ATOM 285 O GLU A 20 3.751 -6.887 -10.162 1.00 0.00 O ATOM 286 CB GLU A 20 6.250 -8.964 -10.194 1.00 0.00 C ATOM 287 CG GLU A 20 6.166 -8.281 -11.550 1.00 0.00 C ATOM 288 CD GLU A 20 7.421 -7.501 -11.889 1.00 0.00 C ATOM 289 OE1 GLU A 20 7.655 -6.450 -11.256 1.00 0.00 O ATOM 290 OE2 GLU A 20 8.169 -7.941 -12.787 1.00 0.00 O ATOM 0 H GLU A 20 5.530 -10.217 -8.184 1.00 0.00 H new ATOM 0 HA GLU A 20 5.783 -7.434 -8.766 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.280 -8.919 -9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.000 -10.018 -10.314 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.990 -9.032 -12.320 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.310 -7.607 -11.561 1.00 0.00 H new ATOM 297 N ALA A 21 3.087 -8.992 -9.761 1.00 0.00 N ATOM 298 CA ALA A 21 1.747 -8.749 -10.273 1.00 0.00 C ATOM 299 C ALA A 21 0.998 -7.817 -9.332 1.00 0.00 C ATOM 300 O ALA A 21 0.206 -6.978 -9.763 1.00 0.00 O ATOM 301 CB ALA A 21 0.989 -10.052 -10.465 1.00 0.00 C ATOM 0 H ALA A 21 3.259 -9.944 -9.439 1.00 0.00 H new ATOM 0 HA ALA A 21 1.828 -8.272 -11.250 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.009 -9.839 -10.848 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.524 -10.683 -11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.908 -10.570 -9.509 1.00 0.00 H new ATOM 307 N LEU A 22 1.278 -7.964 -8.042 1.00 0.00 N ATOM 308 CA LEU A 22 0.680 -7.113 -7.023 1.00 0.00 C ATOM 309 C LEU A 22 1.161 -5.682 -7.198 1.00 0.00 C ATOM 310 O LEU A 22 0.437 -4.730 -6.920 1.00 0.00 O ATOM 311 CB LEU A 22 1.045 -7.626 -5.622 1.00 0.00 C ATOM 312 CG LEU A 22 0.013 -7.361 -4.512 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.380 -7.124 -5.085 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.014 -8.518 -3.527 1.00 0.00 C ATOM 0 H LEU A 22 1.919 -8.669 -7.677 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.404 -7.139 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.213 -8.701 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.991 -7.172 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 22 0.317 -6.454 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.082 -6.940 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.358 -6.259 -5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.697 -8.003 -5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.749 -8.315 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.284 -9.435 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.971 -8.634 -3.075 1.00 0.00 H new ATOM 326 N LYS A 23 2.393 -5.554 -7.674 1.00 0.00 N ATOM 327 CA LYS A 23 3.001 -4.255 -7.922 1.00 0.00 C ATOM 328 C LYS A 23 2.119 -3.420 -8.837 1.00 0.00 C ATOM 329 O LYS A 23 1.859 -2.247 -8.570 1.00 0.00 O ATOM 330 CB LYS A 23 4.379 -4.442 -8.567 1.00 0.00 C ATOM 331 CG LYS A 23 5.548 -4.160 -7.637 1.00 0.00 C ATOM 332 CD LYS A 23 6.136 -5.436 -7.066 1.00 0.00 C ATOM 333 CE LYS A 23 7.507 -5.187 -6.463 1.00 0.00 C ATOM 334 NZ LYS A 23 7.431 -4.339 -5.242 1.00 0.00 N ATOM 0 H LYS A 23 2.996 -6.345 -7.898 1.00 0.00 H new ATOM 0 HA LYS A 23 3.111 -3.735 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.460 -5.465 -8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.453 -3.786 -9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.321 -3.615 -8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.217 -3.516 -6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.468 -5.838 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.212 -6.188 -7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.973 -6.141 -6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.146 -4.703 -7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.114 -3.558 -5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.471 -3.951 -5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.656 -4.914 -4.405 1.00 0.00 H new ATOM 348 N LYS A 24 1.668 -4.034 -9.924 1.00 0.00 N ATOM 349 CA LYS A 24 0.811 -3.355 -10.883 1.00 0.00 C ATOM 350 C LYS A 24 -0.542 -3.030 -10.262 1.00 0.00 C ATOM 351 O LYS A 24 -1.085 -1.944 -10.471 1.00 0.00 O ATOM 352 CB LYS A 24 0.616 -4.220 -12.133 1.00 0.00 C ATOM 353 CG LYS A 24 1.830 -5.064 -12.487 1.00 0.00 C ATOM 354 CD LYS A 24 1.891 -5.358 -13.978 1.00 0.00 C ATOM 355 CE LYS A 24 1.008 -6.538 -14.350 1.00 0.00 C ATOM 356 NZ LYS A 24 -0.081 -6.144 -15.285 1.00 0.00 N ATOM 0 H LYS A 24 1.883 -5.002 -10.162 1.00 0.00 H new ATOM 0 HA LYS A 24 1.297 -2.422 -11.170 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.240 -4.877 -11.980 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.375 -3.574 -12.977 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.738 -4.544 -12.181 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.797 -6.001 -11.932 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.577 -4.477 -14.537 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.921 -5.568 -14.267 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.617 -7.316 -14.810 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.574 -6.965 -13.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.660 -6.977 -15.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.678 -5.420 -14.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.333 -5.760 -16.158 1.00 0.00 H new ATOM 370 N GLU A 25 -1.091 -3.984 -9.515 1.00 0.00 N ATOM 371 CA GLU A 25 -2.385 -3.788 -8.869 1.00 0.00 C ATOM 372 C GLU A 25 -2.291 -2.696 -7.815 1.00 0.00 C ATOM 373 O GLU A 25 -3.268 -2.006 -7.523 1.00 0.00 O ATOM 374 CB GLU A 25 -2.862 -5.095 -8.230 1.00 0.00 C ATOM 375 CG GLU A 25 -2.841 -6.280 -9.181 1.00 0.00 C ATOM 376 CD GLU A 25 -3.943 -7.283 -8.894 1.00 0.00 C ATOM 377 OE1 GLU A 25 -4.824 -6.977 -8.063 1.00 0.00 O ATOM 378 OE2 GLU A 25 -3.926 -8.373 -9.503 1.00 0.00 O ATOM 0 H GLU A 25 -0.664 -4.894 -9.343 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.107 -3.482 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.233 -5.320 -7.369 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.877 -4.958 -7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.941 -5.920 -10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.874 -6.779 -9.111 1.00 0.00 H new ATOM 385 N ILE A 26 -1.104 -2.561 -7.243 1.00 0.00 N ATOM 386 CA ILE A 26 -0.848 -1.566 -6.215 1.00 0.00 C ATOM 387 C ILE A 26 -1.056 -0.154 -6.750 1.00 0.00 C ATOM 388 O ILE A 26 -1.663 0.686 -6.087 1.00 0.00 O ATOM 389 CB ILE A 26 0.585 -1.713 -5.659 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.584 -2.668 -4.465 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.163 -0.362 -5.259 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.862 -3.462 -4.328 1.00 0.00 C ATOM 0 H ILE A 26 -0.295 -3.136 -7.478 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.560 -1.736 -5.407 1.00 0.00 H new ATOM 0 HB ILE A 26 1.217 -2.125 -6.446 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.422 -2.095 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.254 -3.358 -4.562 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.173 -0.499 -4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.194 0.293 -6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.537 0.088 -4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.791 -4.118 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.016 -4.062 -5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.702 -2.780 -4.199 1.00 0.00 H new ATOM 404 N GLN A 27 -0.521 0.110 -7.936 1.00 0.00 N ATOM 405 CA GLN A 27 -0.644 1.426 -8.546 1.00 0.00 C ATOM 406 C GLN A 27 -2.107 1.781 -8.770 1.00 0.00 C ATOM 407 O GLN A 27 -2.506 2.937 -8.634 1.00 0.00 O ATOM 408 CB GLN A 27 0.113 1.465 -9.874 1.00 0.00 C ATOM 409 CG GLN A 27 1.611 1.252 -9.729 1.00 0.00 C ATOM 410 CD GLN A 27 2.423 2.376 -10.340 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.133 2.840 -11.442 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.451 2.821 -9.624 1.00 0.00 N ATOM 0 H GLN A 27 0.000 -0.568 -8.492 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.210 2.160 -7.867 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.292 0.699 -10.536 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.064 2.427 -10.355 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.860 1.162 -8.672 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.888 0.310 -10.203 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.656 2.407 -8.714 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.035 3.576 -9.984 1.00 0.00 H new ATOM 421 N GLU A 28 -2.903 0.774 -9.111 1.00 0.00 N ATOM 422 CA GLU A 28 -4.322 0.977 -9.372 1.00 0.00 C ATOM 423 C GLU A 28 -5.102 1.204 -8.082 1.00 0.00 C ATOM 424 O GLU A 28 -6.189 1.782 -8.098 1.00 0.00 O ATOM 425 CB GLU A 28 -4.894 -0.231 -10.118 1.00 0.00 C ATOM 426 CG GLU A 28 -3.973 -0.769 -11.202 1.00 0.00 C ATOM 427 CD GLU A 28 -3.641 0.270 -12.255 1.00 0.00 C ATOM 428 OE1 GLU A 28 -4.581 0.797 -12.886 1.00 0.00 O ATOM 429 OE2 GLU A 28 -2.440 0.557 -12.447 1.00 0.00 O ATOM 0 H GLU A 28 -2.589 -0.191 -9.213 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.423 1.870 -9.988 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.101 -1.026 -9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.847 0.048 -10.568 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.050 -1.125 -10.745 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.444 -1.628 -11.680 1.00 0.00 H new ATOM 436 N ARG A 29 -4.556 0.720 -6.971 1.00 0.00 N ATOM 437 CA ARG A 29 -5.224 0.842 -5.682 1.00 0.00 C ATOM 438 C ARG A 29 -4.786 2.097 -4.932 1.00 0.00 C ATOM 439 O ARG A 29 -5.424 2.500 -3.959 1.00 0.00 O ATOM 440 CB ARG A 29 -4.960 -0.406 -4.837 1.00 0.00 C ATOM 441 CG ARG A 29 -3.664 -0.370 -4.043 1.00 0.00 C ATOM 442 CD ARG A 29 -3.550 -1.592 -3.140 1.00 0.00 C ATOM 443 NE ARG A 29 -3.043 -2.758 -3.859 1.00 0.00 N ATOM 444 CZ ARG A 29 -3.819 -3.636 -4.489 1.00 0.00 C ATOM 445 NH1 ARG A 29 -5.135 -3.483 -4.491 1.00 0.00 N ATOM 446 NH2 ARG A 29 -3.276 -4.668 -5.120 1.00 0.00 N ATOM 0 H ARG A 29 -3.656 0.241 -6.938 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.294 0.932 -5.867 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.791 -0.543 -4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.945 -1.276 -5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.815 -0.336 -4.725 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.626 0.538 -3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.888 -1.365 -2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.528 -1.823 -2.718 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.034 -2.908 -3.879 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.557 -2.690 -4.008 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.726 -4.159 -4.975 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.263 -4.789 -5.122 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.871 -5.341 -5.603 1.00 0.00 H new ATOM 460 N ILE A 30 -3.695 2.705 -5.382 1.00 0.00 N ATOM 461 CA ILE A 30 -3.177 3.909 -4.742 1.00 0.00 C ATOM 462 C ILE A 30 -4.222 5.028 -4.745 1.00 0.00 C ATOM 463 O ILE A 30 -4.918 5.229 -5.741 1.00 0.00 O ATOM 464 CB ILE A 30 -1.896 4.412 -5.447 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.727 3.466 -5.160 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.556 5.840 -5.023 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.192 3.560 -3.745 1.00 0.00 C ATOM 0 H ILE A 30 -3.153 2.386 -6.185 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.937 3.644 -3.712 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.080 4.422 -6.521 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.047 2.441 -5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.082 3.682 -5.858 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.651 6.166 -5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.380 6.503 -5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.394 5.871 -3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.634 2.859 -3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.161 4.574 -3.556 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.985 3.314 -3.039 1.00 0.00 H new ATOM 479 N PRO A 31 -4.330 5.791 -3.637 1.00 0.00 N ATOM 480 CA PRO A 31 -5.274 6.910 -3.530 1.00 0.00 C ATOM 481 C PRO A 31 -5.171 7.871 -4.711 1.00 0.00 C ATOM 482 O PRO A 31 -4.162 8.556 -4.882 1.00 0.00 O ATOM 483 CB PRO A 31 -4.862 7.616 -2.229 1.00 0.00 C ATOM 484 CG PRO A 31 -3.538 7.034 -1.858 1.00 0.00 C ATOM 485 CD PRO A 31 -3.542 5.641 -2.406 1.00 0.00 C ATOM 0 HA PRO A 31 -6.308 6.565 -3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.790 8.694 -2.374 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.598 7.449 -1.442 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.721 7.619 -2.280 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.401 7.029 -0.777 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.533 5.281 -2.610 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.999 4.933 -1.714 1.00 0.00 H new ATOM 493 N GLU A 32 -6.220 7.903 -5.530 1.00 0.00 N ATOM 494 CA GLU A 32 -6.264 8.769 -6.709 1.00 0.00 C ATOM 495 C GLU A 32 -6.119 10.250 -6.349 1.00 0.00 C ATOM 496 O GLU A 32 -6.152 11.111 -7.229 1.00 0.00 O ATOM 497 CB GLU A 32 -7.575 8.552 -7.467 1.00 0.00 C ATOM 498 CG GLU A 32 -7.433 7.648 -8.679 1.00 0.00 C ATOM 499 CD GLU A 32 -7.734 8.365 -9.980 1.00 0.00 C ATOM 500 OE1 GLU A 32 -8.919 8.410 -10.374 1.00 0.00 O ATOM 501 OE2 GLU A 32 -6.785 8.882 -10.607 1.00 0.00 O ATOM 0 H GLU A 32 -7.057 7.335 -5.398 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.417 8.499 -7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.311 8.122 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.964 9.518 -7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.419 7.250 -8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.106 6.797 -8.574 1.00 0.00 H new ATOM 508 N GLY A 33 -5.965 10.545 -5.062 1.00 0.00 N ATOM 509 CA GLY A 33 -5.850 11.927 -4.630 1.00 0.00 C ATOM 510 C GLY A 33 -4.442 12.475 -4.762 1.00 0.00 C ATOM 511 O GLY A 33 -4.255 13.628 -5.148 1.00 0.00 O ATOM 0 H GLY A 33 -5.918 9.855 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.530 12.543 -5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.168 12.004 -3.590 1.00 0.00 H new ATOM 515 N THR A 34 -3.449 11.654 -4.432 1.00 0.00 N ATOM 516 CA THR A 34 -2.053 12.075 -4.508 1.00 0.00 C ATOM 517 C THR A 34 -1.214 11.046 -5.266 1.00 0.00 C ATOM 518 O THR A 34 -1.646 10.521 -6.294 1.00 0.00 O ATOM 519 CB THR A 34 -1.498 12.291 -3.098 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.553 12.507 -2.179 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.551 13.469 -2.993 1.00 0.00 C ATOM 0 H THR A 34 -3.584 10.696 -4.110 1.00 0.00 H new ATOM 0 HA THR A 34 -2.002 13.016 -5.056 1.00 0.00 H new ATOM 0 HB THR A 34 -0.942 11.383 -2.865 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.447 13.387 -1.760 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.198 13.561 -1.966 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.299 13.313 -3.657 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.073 14.382 -3.281 1.00 0.00 H new ATOM 529 N GLU A 35 -0.016 10.760 -4.760 1.00 0.00 N ATOM 530 CA GLU A 35 0.875 9.799 -5.403 1.00 0.00 C ATOM 531 C GLU A 35 1.518 8.876 -4.375 1.00 0.00 C ATOM 532 O GLU A 35 1.461 9.134 -3.172 1.00 0.00 O ATOM 533 CB GLU A 35 1.962 10.530 -6.195 1.00 0.00 C ATOM 534 CG GLU A 35 1.413 11.478 -7.250 1.00 0.00 C ATOM 535 CD GLU A 35 1.729 11.026 -8.662 1.00 0.00 C ATOM 536 OE1 GLU A 35 0.974 10.189 -9.200 1.00 0.00 O ATOM 537 OE2 GLU A 35 2.730 11.511 -9.230 1.00 0.00 O ATOM 0 H GLU A 35 0.359 11.179 -3.909 1.00 0.00 H new ATOM 0 HA GLU A 35 0.279 9.193 -6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.588 11.093 -5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.604 9.794 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.333 11.560 -7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.828 12.473 -7.090 1.00 0.00 H new ATOM 544 N LEU A 36 2.129 7.801 -4.860 1.00 0.00 N ATOM 545 CA LEU A 36 2.773 6.827 -3.987 1.00 0.00 C ATOM 546 C LEU A 36 4.108 7.351 -3.462 1.00 0.00 C ATOM 547 O LEU A 36 4.476 8.501 -3.705 1.00 0.00 O ATOM 548 CB LEU A 36 2.992 5.507 -4.732 1.00 0.00 C ATOM 549 CG LEU A 36 3.418 5.650 -6.194 1.00 0.00 C ATOM 550 CD1 LEU A 36 4.590 4.730 -6.499 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.250 5.354 -7.121 1.00 0.00 C ATOM 0 H LEU A 36 2.192 7.582 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 36 2.113 6.656 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.751 4.931 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.069 4.929 -4.694 1.00 0.00 H new ATOM 0 HG LEU A 36 3.736 6.679 -6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.880 4.844 -7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.432 4.989 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.298 3.696 -6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.572 5.461 -8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.901 4.335 -6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.439 6.054 -6.919 1.00 0.00 H new ATOM 563 N HIS A 37 4.821 6.499 -2.730 1.00 0.00 N ATOM 564 CA HIS A 37 6.114 6.856 -2.158 1.00 0.00 C ATOM 565 C HIS A 37 7.154 5.788 -2.463 1.00 0.00 C ATOM 566 O HIS A 37 8.010 5.958 -3.331 1.00 0.00 O ATOM 567 CB HIS A 37 5.988 7.017 -0.644 1.00 0.00 C ATOM 568 CG HIS A 37 7.261 7.431 0.029 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.705 8.731 -0.011 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.140 6.684 0.741 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.836 8.749 0.671 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.138 7.531 1.144 1.00 0.00 N ATOM 0 H HIS A 37 4.520 5.548 -2.518 1.00 0.00 H new ATOM 0 HA HIS A 37 6.434 7.798 -2.604 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.217 7.758 -0.430 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.651 6.073 -0.215 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.067 5.627 0.950 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.440 9.631 0.828 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.957 7.282 1.699 1.00 0.00 H new ATOM 580 N LYS A 38 7.045 4.674 -1.751 1.00 0.00 N ATOM 581 CA LYS A 38 7.974 3.566 -1.898 1.00 0.00 C ATOM 582 C LYS A 38 7.388 2.304 -1.262 1.00 0.00 C ATOM 583 O LYS A 38 6.851 2.348 -0.155 1.00 0.00 O ATOM 584 CB LYS A 38 9.320 3.939 -1.264 1.00 0.00 C ATOM 585 CG LYS A 38 9.776 3.017 -0.142 1.00 0.00 C ATOM 586 CD LYS A 38 10.568 1.837 -0.678 1.00 0.00 C ATOM 587 CE LYS A 38 11.576 1.332 0.342 1.00 0.00 C ATOM 588 NZ LYS A 38 11.000 1.273 1.714 1.00 0.00 N ATOM 0 H LYS A 38 6.313 4.515 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 38 8.139 3.361 -2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.083 3.945 -2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.253 4.955 -0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.389 3.577 0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.908 2.654 0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.885 1.031 -0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.088 2.131 -1.590 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.921 0.340 0.051 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.449 1.985 0.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.568 0.629 2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.008 2.224 2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.021 0.925 1.665 1.00 0.00 H new ATOM 602 N ILE A 39 7.450 1.193 -1.992 1.00 0.00 N ATOM 603 CA ILE A 39 6.876 -0.063 -1.523 1.00 0.00 C ATOM 604 C ILE A 39 7.909 -0.941 -0.818 1.00 0.00 C ATOM 605 O ILE A 39 9.113 -0.796 -1.028 1.00 0.00 O ATOM 606 CB ILE A 39 6.241 -0.850 -2.680 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.483 0.109 -3.607 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.316 -1.927 -2.132 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.539 -0.577 -4.569 1.00 0.00 C ATOM 0 H ILE A 39 7.892 1.138 -2.910 1.00 0.00 H new ATOM 0 HA ILE A 39 6.103 0.202 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 39 7.025 -1.339 -3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.916 0.813 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.206 0.692 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.871 -2.479 -2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.886 -2.611 -1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.528 -1.463 -1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.043 0.171 -5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.101 -1.260 -5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.791 -1.137 -4.008 1.00 0.00 H new ATOM 621 N ASP A 40 7.420 -1.861 0.014 1.00 0.00 N ATOM 622 CA ASP A 40 8.288 -2.759 0.770 1.00 0.00 C ATOM 623 C ASP A 40 7.946 -4.219 0.501 1.00 0.00 C ATOM 624 O ASP A 40 6.793 -4.624 0.604 1.00 0.00 O ATOM 625 CB ASP A 40 8.141 -2.483 2.264 1.00 0.00 C ATOM 626 CG ASP A 40 9.475 -2.449 2.985 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.495 -2.141 2.334 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.497 -2.731 4.202 1.00 0.00 O ATOM 0 H ASP A 40 6.424 -2.003 0.181 1.00 0.00 H new ATOM 0 HA ASP A 40 9.314 -2.577 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.632 -1.530 2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.510 -3.251 2.711 1.00 0.00 H new ATOM 633 N GLU A 41 8.956 -5.008 0.153 1.00 0.00 N ATOM 634 CA GLU A 41 8.763 -6.434 -0.085 1.00 0.00 C ATOM 635 C GLU A 41 8.980 -7.218 1.205 1.00 0.00 C ATOM 636 O GLU A 41 9.980 -7.920 1.355 1.00 0.00 O ATOM 637 CB GLU A 41 9.719 -6.931 -1.172 1.00 0.00 C ATOM 638 CG GLU A 41 9.657 -6.116 -2.454 1.00 0.00 C ATOM 639 CD GLU A 41 10.962 -6.141 -3.225 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.470 -7.248 -3.500 1.00 0.00 O ATOM 641 OE2 GLU A 41 11.477 -5.051 -3.556 1.00 0.00 O ATOM 0 H GLU A 41 9.916 -4.685 0.029 1.00 0.00 H new ATOM 0 HA GLU A 41 7.740 -6.592 -0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.738 -6.909 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.487 -7.971 -1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.858 -6.502 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.402 -5.084 -2.212 1.00 0.00 H new ATOM 648 N GLU A 42 8.065 -7.050 2.152 1.00 0.00 N ATOM 649 CA GLU A 42 8.175 -7.716 3.443 1.00 0.00 C ATOM 650 C GLU A 42 7.272 -8.938 3.512 1.00 0.00 C ATOM 651 O GLU A 42 6.209 -8.961 2.905 1.00 0.00 O ATOM 652 CB GLU A 42 7.842 -6.742 4.568 1.00 0.00 C ATOM 653 CG GLU A 42 9.073 -6.201 5.273 1.00 0.00 C ATOM 654 CD GLU A 42 10.301 -6.170 4.383 1.00 0.00 C ATOM 655 OE1 GLU A 42 10.381 -5.278 3.512 1.00 0.00 O ATOM 656 OE2 GLU A 42 11.183 -7.039 4.556 1.00 0.00 O ATOM 0 H GLU A 42 7.240 -6.459 2.050 1.00 0.00 H new ATOM 0 HA GLU A 42 9.204 -8.055 3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.268 -5.909 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.204 -7.242 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.866 -5.193 5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.282 -6.814 6.149 1.00 0.00 H new ATOM 663 N PRO A 43 7.688 -9.974 4.259 1.00 0.00 N ATOM 664 CA PRO A 43 6.948 -11.220 4.368 1.00 0.00 C ATOM 665 C PRO A 43 5.973 -11.242 5.534 1.00 0.00 C ATOM 666 O PRO A 43 6.092 -10.461 6.479 1.00 0.00 O ATOM 667 CB PRO A 43 8.051 -12.263 4.569 1.00 0.00 C ATOM 668 CG PRO A 43 9.267 -11.510 5.039 1.00 0.00 C ATOM 669 CD PRO A 43 8.942 -10.034 5.010 1.00 0.00 C ATOM 0 HA PRO A 43 6.322 -11.392 3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.750 -13.011 5.303 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.258 -12.794 3.640 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.541 -11.820 6.047 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.121 -11.725 4.396 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.827 -9.629 6.015 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.729 -9.459 4.522 1.00 0.00 H new ATOM 677 N ILE A 44 4.999 -12.140 5.443 1.00 0.00 N ATOM 678 CA ILE A 44 3.960 -12.260 6.457 1.00 0.00 C ATOM 679 C ILE A 44 3.830 -13.699 6.948 1.00 0.00 C ATOM 680 O ILE A 44 4.387 -14.064 7.983 1.00 0.00 O ATOM 681 CB ILE A 44 2.603 -11.789 5.903 1.00 0.00 C ATOM 682 CG1 ILE A 44 2.809 -10.603 4.953 1.00 0.00 C ATOM 683 CG2 ILE A 44 1.659 -11.420 7.039 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.364 -9.367 5.634 1.00 0.00 C ATOM 0 H ILE A 44 4.908 -12.800 4.671 1.00 0.00 H new ATOM 0 HA ILE A 44 4.249 -11.627 7.295 1.00 0.00 H new ATOM 0 HB ILE A 44 2.148 -12.606 5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.487 -10.902 4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.856 -10.353 4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.705 -11.090 6.627 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.497 -12.290 7.675 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.097 -10.615 7.629 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.483 -8.570 4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.676 -9.042 6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.332 -9.600 6.077 1.00 0.00 H new ATOM 696 N ALA A 45 3.083 -14.506 6.200 1.00 0.00 N ATOM 697 CA ALA A 45 2.877 -15.907 6.551 1.00 0.00 C ATOM 698 C ALA A 45 4.176 -16.700 6.426 1.00 0.00 C ATOM 699 O ALA A 45 5.267 -16.153 6.586 1.00 0.00 O ATOM 700 CB ALA A 45 1.792 -16.513 5.673 1.00 0.00 C ATOM 0 H ALA A 45 2.610 -14.213 5.345 1.00 0.00 H new ATOM 0 HA ALA A 45 2.555 -15.956 7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.647 -17.559 5.944 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.860 -15.968 5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.091 -16.447 4.627 1.00 0.00 H new ATOM 706 N PHE A 46 4.055 -17.992 6.132 1.00 0.00 N ATOM 707 CA PHE A 46 5.222 -18.851 5.984 1.00 0.00 C ATOM 708 C PHE A 46 5.967 -18.532 4.691 1.00 0.00 C ATOM 709 O PHE A 46 7.184 -18.702 4.608 1.00 0.00 O ATOM 710 CB PHE A 46 4.803 -20.322 5.998 1.00 0.00 C ATOM 711 CG PHE A 46 4.760 -20.919 7.375 1.00 0.00 C ATOM 712 CD1 PHE A 46 3.682 -20.681 8.213 1.00 0.00 C ATOM 713 CD2 PHE A 46 5.797 -21.715 7.833 1.00 0.00 C ATOM 714 CE1 PHE A 46 3.638 -21.227 9.482 1.00 0.00 C ATOM 715 CE2 PHE A 46 5.759 -22.264 9.102 1.00 0.00 C ATOM 716 CZ PHE A 46 4.680 -22.020 9.926 1.00 0.00 C ATOM 0 H PHE A 46 3.162 -18.464 5.992 1.00 0.00 H new ATOM 0 HA PHE A 46 5.891 -18.665 6.824 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.819 -20.416 5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.497 -20.895 5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.866 -20.061 7.870 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.644 -21.909 7.192 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.792 -21.035 10.125 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.574 -22.883 9.447 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.649 -22.448 10.917 1.00 0.00 H new ATOM 726 N GLY A 47 5.232 -18.053 3.691 1.00 0.00 N ATOM 727 CA GLY A 47 5.845 -17.717 2.417 1.00 0.00 C ATOM 728 C GLY A 47 5.102 -16.624 1.667 1.00 0.00 C ATOM 729 O GLY A 47 5.461 -16.294 0.536 1.00 0.00 O ATOM 0 H GLY A 47 4.226 -17.892 3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.873 -17.397 2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.889 -18.611 1.795 1.00 0.00 H new ATOM 733 N LEU A 48 4.064 -16.068 2.286 1.00 0.00 N ATOM 734 CA LEU A 48 3.280 -15.010 1.656 1.00 0.00 C ATOM 735 C LEU A 48 3.837 -13.635 2.017 1.00 0.00 C ATOM 736 O LEU A 48 3.663 -13.157 3.138 1.00 0.00 O ATOM 737 CB LEU A 48 1.806 -15.117 2.068 1.00 0.00 C ATOM 738 CG LEU A 48 1.218 -16.536 2.056 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.304 -16.485 2.086 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.697 -17.316 0.839 1.00 0.00 C ATOM 0 H LEU A 48 3.747 -16.331 3.219 1.00 0.00 H new ATOM 0 HA LEU A 48 3.348 -15.132 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.696 -14.705 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.214 -14.491 1.400 1.00 0.00 H new ATOM 0 HG LEU A 48 1.568 -17.052 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.702 -17.500 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.633 -15.974 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.667 -15.945 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.266 -18.317 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.384 -16.801 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.784 -17.389 0.859 1.00 0.00 H new ATOM 752 N VAL A 49 4.502 -13.003 1.053 1.00 0.00 N ATOM 753 CA VAL A 49 5.117 -11.698 1.268 1.00 0.00 C ATOM 754 C VAL A 49 4.180 -10.560 0.870 1.00 0.00 C ATOM 755 O VAL A 49 3.614 -10.555 -0.223 1.00 0.00 O ATOM 756 CB VAL A 49 6.435 -11.573 0.474 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.922 -10.130 0.418 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.500 -12.477 1.076 1.00 0.00 C ATOM 0 H VAL A 49 4.628 -13.376 0.112 1.00 0.00 H new ATOM 0 HA VAL A 49 5.327 -11.619 2.335 1.00 0.00 H new ATOM 0 HB VAL A 49 6.240 -11.891 -0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.852 -10.082 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.168 -9.510 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.095 -9.765 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.424 -12.379 0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.679 -12.188 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.160 -13.512 1.042 1.00 0.00 H new ATOM 768 N ALA A 50 4.060 -9.578 1.759 1.00 0.00 N ATOM 769 CA ALA A 50 3.223 -8.411 1.517 1.00 0.00 C ATOM 770 C ALA A 50 4.045 -7.250 0.978 1.00 0.00 C ATOM 771 O ALA A 50 5.271 -7.242 1.075 1.00 0.00 O ATOM 772 CB ALA A 50 2.531 -7.985 2.800 1.00 0.00 C ATOM 0 H ALA A 50 4.537 -9.570 2.660 1.00 0.00 H new ATOM 0 HA ALA A 50 2.476 -8.686 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.909 -7.112 2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.907 -8.801 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.280 -7.736 3.552 1.00 0.00 H new ATOM 778 N LEU A 51 3.354 -6.264 0.420 1.00 0.00 N ATOM 779 CA LEU A 51 4.007 -5.080 -0.113 1.00 0.00 C ATOM 780 C LEU A 51 3.495 -3.831 0.594 1.00 0.00 C ATOM 781 O LEU A 51 2.315 -3.494 0.506 1.00 0.00 O ATOM 782 CB LEU A 51 3.764 -4.972 -1.620 1.00 0.00 C ATOM 783 CG LEU A 51 4.703 -5.813 -2.487 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.512 -7.292 -2.194 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.475 -5.526 -3.962 1.00 0.00 C ATOM 0 H LEU A 51 2.338 -6.263 0.326 1.00 0.00 H new ATOM 0 HA LEU A 51 5.079 -5.166 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.736 -5.269 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.860 -3.927 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 51 5.730 -5.542 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.187 -7.877 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.730 -7.486 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.482 -7.575 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.153 -6.135 -4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.445 -5.766 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.663 -4.471 -4.161 1.00 0.00 H new ATOM 797 N ASN A 52 4.390 -3.155 1.304 1.00 0.00 N ATOM 798 CA ASN A 52 4.030 -1.952 2.036 1.00 0.00 C ATOM 799 C ASN A 52 4.207 -0.726 1.158 1.00 0.00 C ATOM 800 O ASN A 52 5.282 -0.130 1.101 1.00 0.00 O ATOM 801 CB ASN A 52 4.887 -1.824 3.297 1.00 0.00 C ATOM 802 CG ASN A 52 5.182 -3.168 3.938 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.260 -3.381 4.490 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.219 -4.082 3.875 1.00 0.00 N ATOM 0 H ASN A 52 5.371 -3.422 1.387 1.00 0.00 H new ATOM 0 HA ASN A 52 2.982 -2.024 2.328 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.826 -1.331 3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.375 -1.186 4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.360 -5.001 4.294 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.339 -3.864 3.407 1.00 0.00 H new ATOM 811 N VAL A 53 3.130 -0.358 0.486 1.00 0.00 N ATOM 812 CA VAL A 53 3.139 0.769 -0.427 1.00 0.00 C ATOM 813 C VAL A 53 2.852 2.077 0.297 1.00 0.00 C ATOM 814 O VAL A 53 1.703 2.381 0.621 1.00 0.00 O ATOM 815 CB VAL A 53 2.098 0.580 -1.542 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.356 1.550 -2.684 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.105 -0.857 -2.036 1.00 0.00 C ATOM 0 H VAL A 53 2.229 -0.830 0.558 1.00 0.00 H new ATOM 0 HA VAL A 53 4.137 0.816 -0.862 1.00 0.00 H new ATOM 0 HB VAL A 53 1.110 0.794 -1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.609 1.401 -3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.295 2.573 -2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.350 1.372 -3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.362 -0.974 -2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.092 -1.102 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.865 -1.527 -1.210 1.00 0.00 H new ATOM 827 N MET A 54 3.896 2.870 0.488 1.00 0.00 N ATOM 828 CA MET A 54 3.762 4.162 1.144 1.00 0.00 C ATOM 829 C MET A 54 3.345 5.222 0.135 1.00 0.00 C ATOM 830 O MET A 54 3.396 4.990 -1.072 1.00 0.00 O ATOM 831 CB MET A 54 5.080 4.562 1.811 1.00 0.00 C ATOM 832 CG MET A 54 5.419 3.732 3.039 1.00 0.00 C ATOM 833 SD MET A 54 7.004 2.884 2.893 1.00 0.00 S ATOM 834 CE MET A 54 6.944 1.798 4.317 1.00 0.00 C ATOM 0 H MET A 54 4.847 2.641 0.198 1.00 0.00 H new ATOM 0 HA MET A 54 2.993 4.083 1.912 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.888 4.468 1.085 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.029 5.613 2.096 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.438 4.379 3.916 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.632 2.996 3.203 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.930 1.366 4.487 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.640 2.367 5.196 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.225 0.999 4.135 1.00 0.00 H new ATOM 844 N VAL A 55 2.882 6.364 0.632 1.00 0.00 N ATOM 845 CA VAL A 55 2.417 7.436 -0.239 1.00 0.00 C ATOM 846 C VAL A 55 2.864 8.805 0.268 1.00 0.00 C ATOM 847 O VAL A 55 2.870 9.061 1.472 1.00 0.00 O ATOM 848 CB VAL A 55 0.877 7.420 -0.372 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.370 6.004 -0.593 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.215 8.037 0.852 1.00 0.00 C ATOM 0 H VAL A 55 2.819 6.570 1.629 1.00 0.00 H new ATOM 0 HA VAL A 55 2.863 7.261 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 55 0.611 8.022 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.716 6.016 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.806 5.600 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.656 5.379 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.868 8.012 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.494 7.471 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.544 9.070 0.962 1.00 0.00 H new ATOM 860 N VAL A 56 3.239 9.681 -0.658 1.00 0.00 N ATOM 861 CA VAL A 56 3.659 11.031 -0.305 1.00 0.00 C ATOM 862 C VAL A 56 2.480 11.995 -0.368 1.00 0.00 C ATOM 863 O VAL A 56 2.086 12.438 -1.448 1.00 0.00 O ATOM 864 CB VAL A 56 4.773 11.544 -1.235 1.00 0.00 C ATOM 865 CG1 VAL A 56 5.495 12.721 -0.599 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.750 10.430 -1.573 1.00 0.00 C ATOM 0 H VAL A 56 3.260 9.480 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 56 4.046 10.986 0.713 1.00 0.00 H new ATOM 0 HB VAL A 56 4.315 11.883 -2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.280 13.072 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.785 13.528 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.938 12.408 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.528 10.816 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.204 10.053 -0.656 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.219 9.620 -2.074 1.00 0.00 H new ATOM 876 N VAL A 57 1.913 12.310 0.792 1.00 0.00 N ATOM 877 CA VAL A 57 0.770 13.212 0.861 1.00 0.00 C ATOM 878 C VAL A 57 0.985 14.309 1.895 1.00 0.00 C ATOM 879 O VAL A 57 1.530 14.069 2.969 1.00 0.00 O ATOM 880 CB VAL A 57 -0.527 12.455 1.200 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.879 11.473 0.095 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.400 11.738 2.533 1.00 0.00 C ATOM 0 H VAL A 57 2.226 11.955 1.695 1.00 0.00 H new ATOM 0 HA VAL A 57 0.674 13.664 -0.126 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.334 13.183 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.799 10.948 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.021 12.014 -0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.070 10.752 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.328 11.210 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.421 11.023 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.202 12.466 3.320 1.00 0.00 H new ATOM 892 N GLY A 58 0.559 15.517 1.559 1.00 0.00 N ATOM 893 CA GLY A 58 0.693 16.628 2.478 1.00 0.00 C ATOM 894 C GLY A 58 0.110 17.913 1.924 1.00 0.00 C ATOM 895 O GLY A 58 -0.831 18.470 2.489 1.00 0.00 O ATOM 0 H GLY A 58 0.123 15.748 0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.195 16.382 3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.748 16.780 2.707 1.00 0.00 H new ATOM 899 N ASP A 59 0.667 18.378 0.811 1.00 0.00 N ATOM 900 CA ASP A 59 0.189 19.598 0.171 1.00 0.00 C ATOM 901 C ASP A 59 -1.039 19.311 -0.680 1.00 0.00 C ATOM 902 O ASP A 59 -1.682 20.226 -1.196 1.00 0.00 O ATOM 903 CB ASP A 59 1.293 20.216 -0.690 1.00 0.00 C ATOM 904 CG ASP A 59 0.966 21.633 -1.118 1.00 0.00 C ATOM 905 OD1 ASP A 59 0.604 22.449 -0.245 1.00 0.00 O ATOM 906 OD2 ASP A 59 1.072 21.927 -2.327 1.00 0.00 O ATOM 0 H ASP A 59 1.449 17.929 0.334 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.087 20.308 0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.229 20.215 -0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.449 19.599 -1.575 1.00 0.00 H new ATOM 911 N ALA A 60 -1.355 18.029 -0.822 1.00 0.00 N ATOM 912 CA ALA A 60 -2.512 17.599 -1.594 1.00 0.00 C ATOM 913 C ALA A 60 -3.815 18.015 -0.912 1.00 0.00 C ATOM 914 O ALA A 60 -3.918 19.111 -0.363 1.00 0.00 O ATOM 915 CB ALA A 60 -2.463 16.094 -1.796 1.00 0.00 C ATOM 0 H ALA A 60 -0.821 17.265 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.482 18.087 -2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.331 15.776 -2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.552 15.828 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.471 15.596 -0.826 1.00 0.00 H new ATOM 921 N GLU A 61 -4.798 17.123 -0.934 1.00 0.00 N ATOM 922 CA GLU A 61 -6.094 17.393 -0.322 1.00 0.00 C ATOM 923 C GLU A 61 -6.702 16.116 0.240 1.00 0.00 C ATOM 924 O GLU A 61 -6.024 15.096 0.364 1.00 0.00 O ATOM 925 CB GLU A 61 -7.046 18.014 -1.348 1.00 0.00 C ATOM 926 CG GLU A 61 -6.755 17.599 -2.781 1.00 0.00 C ATOM 927 CD GLU A 61 -7.403 18.518 -3.798 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.646 18.639 -3.781 1.00 0.00 O ATOM 929 OE2 GLU A 61 -6.669 19.116 -4.612 1.00 0.00 O ATOM 0 H GLU A 61 -4.722 16.204 -1.370 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.943 18.096 0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.069 17.733 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.987 19.100 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.677 17.590 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.110 16.581 -2.939 1.00 0.00 H new ATOM 936 N GLY A 62 -7.989 16.174 0.566 1.00 0.00 N ATOM 937 CA GLY A 62 -8.670 15.008 1.090 1.00 0.00 C ATOM 938 C GLY A 62 -9.081 14.059 -0.014 1.00 0.00 C ATOM 939 O GLY A 62 -9.866 13.137 0.206 1.00 0.00 O ATOM 0 H GLY A 62 -8.571 17.007 0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.017 14.489 1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.552 15.322 1.648 1.00 0.00 H new ATOM 943 N GLY A 63 -8.541 14.288 -1.207 1.00 0.00 N ATOM 944 CA GLY A 63 -8.856 13.444 -2.343 1.00 0.00 C ATOM 945 C GLY A 63 -8.260 12.057 -2.218 1.00 0.00 C ATOM 946 O GLY A 63 -8.577 11.166 -3.006 1.00 0.00 O ATOM 0 H GLY A 63 -7.889 15.046 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.938 13.363 -2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.486 13.914 -3.254 1.00 0.00 H new ATOM 950 N THR A 64 -7.395 11.870 -1.224 1.00 0.00 N ATOM 951 CA THR A 64 -6.765 10.574 -1.003 1.00 0.00 C ATOM 952 C THR A 64 -7.758 9.599 -0.390 1.00 0.00 C ATOM 953 O THR A 64 -7.460 8.416 -0.222 1.00 0.00 O ATOM 954 CB THR A 64 -5.542 10.707 -0.097 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.903 10.544 1.263 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.837 12.039 -0.228 1.00 0.00 C ATOM 0 H THR A 64 -7.117 12.595 -0.563 1.00 0.00 H new ATOM 0 HA THR A 64 -6.439 10.191 -1.970 1.00 0.00 H new ATOM 0 HB THR A 64 -4.860 9.921 -0.422 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.105 10.631 1.826 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.979 12.064 0.443 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.498 12.172 -1.255 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.526 12.842 0.033 1.00 0.00 H new ATOM 964 N GLU A 65 -8.940 10.109 -0.056 1.00 0.00 N ATOM 965 CA GLU A 65 -10.003 9.282 0.494 1.00 0.00 C ATOM 966 C GLU A 65 -10.289 8.116 -0.435 1.00 0.00 C ATOM 967 O GLU A 65 -10.784 7.069 -0.015 1.00 0.00 O ATOM 968 CB GLU A 65 -11.270 10.112 0.670 1.00 0.00 C ATOM 969 CG GLU A 65 -11.722 10.812 -0.602 1.00 0.00 C ATOM 970 CD GLU A 65 -12.900 11.738 -0.373 1.00 0.00 C ATOM 971 OE1 GLU A 65 -12.933 12.407 0.681 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.792 11.791 -1.246 1.00 0.00 O ATOM 0 H GLU A 65 -9.184 11.094 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.683 8.900 1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.072 9.464 1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.100 10.859 1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.890 11.384 -1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.993 10.064 -1.347 1.00 0.00 H new ATOM 979 N ALA A 66 -9.944 8.311 -1.700 1.00 0.00 N ATOM 980 CA ALA A 66 -10.159 7.300 -2.727 1.00 0.00 C ATOM 981 C ALA A 66 -9.493 5.986 -2.345 1.00 0.00 C ATOM 982 O ALA A 66 -9.973 4.913 -2.703 1.00 0.00 O ATOM 983 CB ALA A 66 -9.626 7.785 -4.066 1.00 0.00 C ATOM 0 H ALA A 66 -9.510 9.168 -2.042 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.232 7.129 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.794 7.019 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.144 8.700 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.558 7.984 -3.982 1.00 0.00 H new ATOM 989 N ALA A 67 -8.418 6.075 -1.571 1.00 0.00 N ATOM 990 CA ALA A 67 -7.701 4.889 -1.131 1.00 0.00 C ATOM 991 C ALA A 67 -8.611 3.997 -0.300 1.00 0.00 C ATOM 992 O ALA A 67 -8.841 2.836 -0.643 1.00 0.00 O ATOM 993 CB ALA A 67 -6.467 5.280 -0.332 1.00 0.00 C ATOM 0 H ALA A 67 -8.026 6.955 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.380 4.332 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.942 4.381 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.806 5.883 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.768 5.857 0.542 1.00 0.00 H new ATOM 999 N GLU A 68 -9.151 4.556 0.778 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.063 3.817 1.640 1.00 0.00 C ATOM 1001 C GLU A 68 -11.282 3.351 0.851 1.00 0.00 C ATOM 1002 O GLU A 68 -11.858 2.303 1.141 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.507 4.686 2.817 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.352 5.272 3.613 1.00 0.00 C ATOM 1005 CD GLU A 68 -9.809 6.286 4.643 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -10.344 5.867 5.692 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.634 7.499 4.401 1.00 0.00 O ATOM 0 H GLU A 68 -8.973 5.516 1.074 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.537 2.943 2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.128 5.499 2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.130 4.089 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.816 4.466 4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.648 5.746 2.929 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.694 4.161 -0.122 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.830 3.822 -0.967 1.00 0.00 C ATOM 1016 C GLU A 69 -12.546 2.545 -1.743 1.00 0.00 C ATOM 1017 O GLU A 69 -13.349 1.612 -1.747 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.134 4.966 -1.935 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.532 5.541 -1.777 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.235 5.746 -3.105 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.556 5.689 -4.152 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -16.465 5.966 -3.099 1.00 0.00 O ATOM 0 H GLU A 69 -11.256 5.056 -0.342 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.700 3.662 -0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.404 5.761 -1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.011 4.608 -2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.127 4.872 -1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.471 6.494 -1.252 1.00 0.00 H new ATOM 1029 N SER A 70 -11.398 2.522 -2.412 1.00 0.00 N ATOM 1030 CA SER A 70 -10.978 1.357 -3.171 1.00 0.00 C ATOM 1031 C SER A 70 -10.767 0.174 -2.240 1.00 0.00 C ATOM 1032 O SER A 70 -10.756 -0.975 -2.674 1.00 0.00 O ATOM 1033 CB SER A 70 -9.692 1.660 -3.942 1.00 0.00 C ATOM 1034 OG SER A 70 -9.613 0.887 -5.127 1.00 0.00 O ATOM 0 H SER A 70 -10.742 3.302 -2.442 1.00 0.00 H new ATOM 0 HA SER A 70 -11.761 1.105 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.656 2.720 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.828 1.452 -3.310 1.00 0.00 H new ATOM 0 HG SER A 70 -8.783 1.100 -5.602 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.625 0.471 -0.951 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.424 -0.559 0.060 1.00 0.00 C ATOM 1042 C LEU A 71 -11.720 -1.322 0.309 1.00 0.00 C ATOM 1043 O LEU A 71 -11.703 -2.505 0.648 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.935 0.075 1.366 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.517 -0.312 1.798 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.394 -1.822 1.933 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.490 0.228 0.813 1.00 0.00 C ATOM 0 H LEU A 71 -10.646 1.422 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.670 -1.258 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.981 1.159 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.626 -0.199 2.163 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.320 0.135 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.380 -2.078 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.101 -2.179 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.612 -2.292 0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.489 -0.058 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.682 -0.186 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.562 1.315 0.772 1.00 0.00 H new ATOM 1059 N SER A 72 -12.842 -0.635 0.126 1.00 0.00 N ATOM 1060 CA SER A 72 -14.156 -1.240 0.312 1.00 0.00 C ATOM 1061 C SER A 72 -14.386 -2.356 -0.706 1.00 0.00 C ATOM 1062 O SER A 72 -15.317 -3.150 -0.576 1.00 0.00 O ATOM 1063 CB SER A 72 -15.246 -0.175 0.178 1.00 0.00 C ATOM 1064 OG SER A 72 -16.153 -0.234 1.265 1.00 0.00 O ATOM 0 H SER A 72 -12.868 0.346 -0.152 1.00 0.00 H new ATOM 0 HA SER A 72 -14.199 -1.672 1.312 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.789 0.814 0.135 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.786 -0.318 -0.758 1.00 0.00 H new ATOM 0 HG SER A 72 -16.839 0.458 1.157 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.521 -2.407 -1.714 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.621 -3.428 -2.742 1.00 0.00 C ATOM 1072 C GLY A 73 -12.269 -3.755 -3.337 1.00 0.00 C ATOM 1073 O GLY A 73 -12.165 -4.168 -4.492 1.00 0.00 O ATOM 0 H GLY A 73 -12.747 -1.754 -1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.060 -4.331 -2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.293 -3.087 -3.530 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.232 -3.556 -2.535 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.858 -3.793 -2.958 1.00 0.00 C ATOM 1079 C ILE A 74 -9.560 -5.291 -3.056 1.00 0.00 C ATOM 1080 O ILE A 74 -10.479 -6.108 -3.118 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.872 -3.109 -1.979 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.576 -2.727 -2.696 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.584 -3.995 -0.773 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.013 -1.395 -2.252 1.00 0.00 C ATOM 0 H ILE A 74 -11.319 -3.226 -1.574 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.729 -3.360 -3.950 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.343 -2.197 -1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.831 -3.504 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.760 -2.696 -3.770 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.889 -3.486 -0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.513 -4.200 -0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.143 -4.934 -1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.094 -1.187 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.741 -0.608 -2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.798 -1.429 -1.184 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.274 -5.640 -3.076 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.846 -7.031 -3.149 1.00 0.00 C ATOM 1098 C GLU A 75 -8.545 -7.869 -2.084 1.00 0.00 C ATOM 1099 O GLU A 75 -8.106 -7.934 -0.935 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.328 -7.108 -2.980 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.604 -7.598 -4.224 1.00 0.00 C ATOM 1102 CD GLU A 75 -6.095 -8.952 -4.697 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -6.679 -9.693 -3.877 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -5.896 -9.273 -5.886 1.00 0.00 O ATOM 0 H GLU A 75 -7.506 -4.969 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.119 -7.434 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.949 -6.121 -2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.096 -7.773 -2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.734 -6.870 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.535 -7.657 -4.017 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.656 -8.488 -2.480 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.434 -9.301 -1.562 1.00 0.00 C ATOM 1113 C GLY A 76 -9.623 -10.413 -0.937 1.00 0.00 C ATOM 1114 O GLY A 76 -9.858 -10.795 0.211 1.00 0.00 O ATOM 0 H GLY A 76 -10.032 -8.439 -3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.839 -8.666 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.283 -9.731 -2.094 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.660 -10.933 -1.689 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.802 -11.999 -1.195 1.00 0.00 C ATOM 1120 C VAL A 77 -6.606 -11.417 -0.458 1.00 0.00 C ATOM 1121 O VAL A 77 -6.176 -11.941 0.567 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.317 -12.913 -2.342 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -5.987 -12.442 -2.916 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -7.208 -14.352 -1.857 1.00 0.00 C ATOM 0 H VAL A 77 -8.455 -10.633 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.391 -12.603 -0.506 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.055 -12.861 -3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.680 -13.111 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.097 -11.431 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.230 -12.447 -2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.865 -14.986 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.496 -14.405 -1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.184 -14.696 -1.516 1.00 0.00 H new ATOM 1134 N SER A 78 -6.108 -10.300 -0.968 1.00 0.00 N ATOM 1135 CA SER A 78 -4.973 -9.626 -0.370 1.00 0.00 C ATOM 1136 C SER A 78 -5.448 -8.515 0.551 1.00 0.00 C ATOM 1137 O SER A 78 -5.626 -7.376 0.120 1.00 0.00 O ATOM 1138 CB SER A 78 -4.070 -9.051 -1.469 1.00 0.00 C ATOM 1139 OG SER A 78 -4.138 -9.838 -2.644 1.00 0.00 O ATOM 0 H SER A 78 -6.478 -9.841 -1.801 1.00 0.00 H new ATOM 0 HA SER A 78 -4.403 -10.346 0.217 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.371 -8.028 -1.694 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.040 -9.009 -1.114 1.00 0.00 H new ATOM 0 HG SER A 78 -3.556 -9.451 -3.331 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.679 -8.850 1.819 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.103 -7.839 2.779 1.00 0.00 C ATOM 1147 C ASN A 79 -4.914 -7.003 3.157 1.00 0.00 C ATOM 1148 O ASN A 79 -3.830 -7.519 3.429 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.727 -8.441 4.035 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.719 -7.492 4.705 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -7.337 -6.218 4.894 1.00 0.00 O flip ATOM 1152 ND2 ASN A 79 -8.829 -7.898 5.051 1.00 0.00 N flip ATOM 0 H ASN A 79 -5.582 -9.792 2.197 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.873 -7.231 2.304 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.235 -9.370 3.775 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.938 -8.696 4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.088 -8.872 4.893 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.489 -7.260 5.496 1.00 0.00 H new ATOM 1159 N ILE A 80 -5.118 -5.711 3.157 1.00 0.00 N ATOM 1160 CA ILE A 80 -4.047 -4.791 3.410 1.00 0.00 C ATOM 1161 C ILE A 80 -4.074 -4.261 4.834 1.00 0.00 C ATOM 1162 O ILE A 80 -5.140 -4.022 5.403 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.132 -3.615 2.434 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.549 -4.102 1.046 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.809 -2.896 2.372 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -4.908 -2.985 0.090 1.00 0.00 C ATOM 0 H ILE A 80 -6.023 -5.273 2.983 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.112 -5.333 3.270 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.889 -2.916 2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.736 -4.688 0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.404 -4.770 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.881 -2.061 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.552 -2.520 3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.036 -3.586 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.193 -3.408 -0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.742 -2.413 0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.048 -2.329 -0.042 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.888 -4.046 5.386 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.757 -3.453 6.699 1.00 0.00 C ATOM 1180 C GLU A 81 -2.794 -1.952 6.514 1.00 0.00 C ATOM 1181 O GLU A 81 -1.775 -1.265 6.590 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.450 -3.885 7.369 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.454 -3.714 8.880 1.00 0.00 C ATOM 1184 CD GLU A 81 -2.586 -4.466 9.551 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -2.849 -5.622 9.157 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -3.211 -3.899 10.472 1.00 0.00 O ATOM 0 H GLU A 81 -2.001 -4.277 4.938 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.568 -3.782 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.258 -4.931 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.628 -3.306 6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.503 -4.062 9.283 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.534 -2.654 9.121 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.978 -1.481 6.158 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.196 -0.092 5.824 1.00 0.00 C ATOM 1195 C VAL A 82 -4.353 0.756 7.083 1.00 0.00 C ATOM 1196 O VAL A 82 -5.297 1.533 7.228 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.441 0.033 4.922 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.665 1.478 4.500 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.297 -0.862 3.702 1.00 0.00 C ATOM 0 H VAL A 82 -4.816 -2.058 6.094 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.326 0.280 5.284 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.312 -0.289 5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.549 1.539 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.811 2.097 5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.796 1.835 3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.182 -0.765 3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.415 -0.565 3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.191 -1.899 4.022 1.00 0.00 H new ATOM 1209 N THR A 83 -3.424 0.567 8.011 1.00 0.00 N ATOM 1210 CA THR A 83 -3.422 1.316 9.255 1.00 0.00 C ATOM 1211 C THR A 83 -2.036 1.875 9.561 1.00 0.00 C ATOM 1212 O THR A 83 -1.786 2.350 10.669 1.00 0.00 O ATOM 1213 CB THR A 83 -3.892 0.425 10.406 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.923 -0.447 9.977 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.412 1.205 11.593 1.00 0.00 C ATOM 0 H THR A 83 -2.660 -0.103 7.922 1.00 0.00 H new ATOM 0 HA THR A 83 -4.109 2.155 9.145 1.00 0.00 H new ATOM 0 HB THR A 83 -3.009 -0.133 10.719 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.209 -1.010 10.727 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.729 0.513 12.373 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.622 1.850 11.979 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.260 1.816 11.284 1.00 0.00 H new ATOM 1223 N ASP A 84 -1.109 1.754 8.608 1.00 0.00 N ATOM 1224 CA ASP A 84 0.245 2.238 8.820 1.00 0.00 C ATOM 1225 C ASP A 84 0.345 3.727 8.513 1.00 0.00 C ATOM 1226 O ASP A 84 -0.385 4.249 7.669 1.00 0.00 O ATOM 1227 CB ASP A 84 1.230 1.444 7.967 1.00 0.00 C ATOM 1228 CG ASP A 84 1.395 0.016 8.450 1.00 0.00 C ATOM 1229 OD1 ASP A 84 0.394 -0.730 8.453 1.00 0.00 O ATOM 1230 OD2 ASP A 84 2.528 -0.357 8.822 1.00 0.00 O ATOM 0 H ASP A 84 -1.274 1.330 7.695 1.00 0.00 H new ATOM 0 HA ASP A 84 0.500 2.094 9.870 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.887 1.437 6.932 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.199 1.942 7.978 1.00 0.00 H new ATOM 1235 N VAL A 85 1.258 4.401 9.198 1.00 0.00 N ATOM 1236 CA VAL A 85 1.440 5.836 9.024 1.00 0.00 C ATOM 1237 C VAL A 85 2.895 6.247 9.241 1.00 0.00 C ATOM 1238 O VAL A 85 3.646 5.572 9.944 1.00 0.00 O ATOM 1239 CB VAL A 85 0.539 6.626 9.994 1.00 0.00 C ATOM 1240 CG1 VAL A 85 1.099 6.588 11.408 1.00 0.00 C ATOM 1241 CG2 VAL A 85 0.366 8.061 9.518 1.00 0.00 C ATOM 0 H VAL A 85 1.886 3.977 9.881 1.00 0.00 H new ATOM 0 HA VAL A 85 1.160 6.071 7.997 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.442 6.152 10.009 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.446 7.152 12.073 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.158 5.554 11.748 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.095 7.030 11.417 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.273 8.601 10.216 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.340 8.547 9.467 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.093 8.064 8.529 1.00 0.00 H new ATOM 1251 N ARG A 86 3.281 7.360 8.624 1.00 0.00 N ATOM 1252 CA ARG A 86 4.636 7.886 8.744 1.00 0.00 C ATOM 1253 C ARG A 86 4.627 9.400 8.600 1.00 0.00 C ATOM 1254 O ARG A 86 4.804 9.933 7.505 1.00 0.00 O ATOM 1255 CB ARG A 86 5.547 7.272 7.682 1.00 0.00 C ATOM 1256 CG ARG A 86 6.005 5.865 8.017 1.00 0.00 C ATOM 1257 CD ARG A 86 7.491 5.687 7.754 1.00 0.00 C ATOM 1258 NE ARG A 86 7.862 4.280 7.631 1.00 0.00 N ATOM 1259 CZ ARG A 86 9.072 3.808 7.919 1.00 0.00 C ATOM 1260 NH1 ARG A 86 10.024 4.626 8.347 1.00 0.00 N ATOM 1261 NH2 ARG A 86 9.330 2.514 7.780 1.00 0.00 N ATOM 0 H ARG A 86 2.668 7.919 8.031 1.00 0.00 H new ATOM 0 HA ARG A 86 5.019 7.623 9.730 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.020 7.256 6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.422 7.909 7.553 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.791 5.651 9.064 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.440 5.146 7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.763 6.214 6.840 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.059 6.142 8.565 1.00 0.00 H new ATOM 0 HE ARG A 86 7.154 3.622 7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.830 5.621 8.457 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.950 4.260 8.567 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.601 1.881 7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.258 2.152 8.001 1.00 0.00 H new ATOM 1275 N ARG A 87 4.370 10.085 9.703 1.00 0.00 N ATOM 1276 CA ARG A 87 4.304 11.541 9.702 1.00 0.00 C ATOM 1277 C ARG A 87 5.695 12.167 9.753 1.00 0.00 C ATOM 1278 O ARG A 87 6.190 12.501 10.830 1.00 0.00 O ATOM 1279 CB ARG A 87 3.474 12.031 10.891 1.00 0.00 C ATOM 1280 CG ARG A 87 1.976 11.898 10.681 1.00 0.00 C ATOM 1281 CD ARG A 87 1.281 13.247 10.762 1.00 0.00 C ATOM 1282 NE ARG A 87 0.335 13.309 11.872 1.00 0.00 N ATOM 1283 CZ ARG A 87 0.653 13.735 13.090 1.00 0.00 C ATOM 1284 NH1 ARG A 87 1.890 14.136 13.354 1.00 0.00 N ATOM 1285 NH2 ARG A 87 -0.265 13.760 14.046 1.00 0.00 N ATOM 0 H ARG A 87 4.203 9.656 10.613 1.00 0.00 H new ATOM 0 HA ARG A 87 3.828 11.849 8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.760 11.468 11.780 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.714 13.076 11.085 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.783 11.446 9.708 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.560 11.227 11.433 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.027 14.033 10.877 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.756 13.441 9.827 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.625 13.008 11.703 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.599 14.118 12.621 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.132 14.463 14.290 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.217 13.452 13.847 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.019 14.087 14.980 1.00 0.00 H new ATOM 1299 N LEU A 88 6.323 12.333 8.590 1.00 0.00 N ATOM 1300 CA LEU A 88 7.637 12.966 8.535 1.00 0.00 C ATOM 1301 C LEU A 88 7.492 14.480 8.517 1.00 0.00 C ATOM 1302 O LEU A 88 7.240 15.067 7.463 1.00 0.00 O ATOM 1303 CB LEU A 88 8.446 12.533 7.309 1.00 0.00 C ATOM 1304 CG LEU A 88 7.829 11.448 6.435 1.00 0.00 C ATOM 1305 CD1 LEU A 88 8.653 11.283 5.167 1.00 0.00 C ATOM 1306 CD2 LEU A 88 7.741 10.138 7.200 1.00 0.00 C ATOM 0 H LEU A 88 5.949 12.043 7.686 1.00 0.00 H new ATOM 0 HA LEU A 88 8.175 12.645 9.427 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.622 13.412 6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.421 12.183 7.650 1.00 0.00 H new ATOM 0 HG LEU A 88 6.817 11.742 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.210 10.506 4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.668 12.224 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.672 11.000 5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.298 9.373 6.562 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.741 9.825 7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.121 10.275 8.086 1.00 0.00 H new ATOM 1318 N MET A 89 7.643 15.102 9.682 1.00 0.00 N ATOM 1319 CA MET A 89 7.527 16.552 9.793 1.00 0.00 C ATOM 1320 C MET A 89 8.892 17.218 9.654 1.00 0.00 C ATOM 1321 O MET A 89 9.898 16.591 10.046 1.00 0.00 O ATOM 1322 CB MET A 89 6.894 16.937 11.132 1.00 0.00 C ATOM 1323 CG MET A 89 5.729 16.047 11.536 1.00 0.00 C ATOM 1324 SD MET A 89 5.809 15.539 13.264 1.00 0.00 S ATOM 1325 CE MET A 89 7.418 14.750 13.313 1.00 0.00 C ATOM 1326 OXT MET A 89 8.942 18.363 9.157 1.00 0.00 O ATOM 0 H MET A 89 7.846 14.626 10.561 1.00 0.00 H new ATOM 0 HA MET A 89 6.886 16.901 8.984 1.00 0.00 H new ATOM 0 HB2 MET A 89 7.657 16.897 11.909 1.00 0.00 H new ATOM 0 HB3 MET A 89 6.549 17.969 11.077 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.793 16.578 11.361 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.717 15.161 10.901 1.00 0.00 H new ATOM 0 HE1 MET A 89 7.518 14.186 14.240 1.00 0.00 H new ATOM 0 HE2 MET A 89 7.518 14.074 12.464 1.00 0.00 H new ATOM 0 HE3 MET A 89 8.198 15.510 13.265 1.00 0.00 H new TER 1336 MET A 89