USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 651 hydrogens (22 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 17 SER OG : rot -119:sc= -0.154 USER MOD Set 1.2: A 40 TYR OH : rot 170:sc= 0.0237 USER MOD Set 1.3: A 48 THR OG1 : rot 79:sc= -0.347 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0217 (180deg=-0.273) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0479 (180deg=-0.168) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0456 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00529 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0472 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -169:sc= 0.145 USER MOD Single : A 46 MET CE :methyl -126:sc= -0.992 (180deg=-3.33!) USER MOD Single : A 54 SER OG : rot 80:sc= 0.911 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -169:sc= -2.28! USER MOD Single : A 79 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.69) USER MOD Single : A 87 SXM O33 : rot 147:sc= 0.0948 USER MOD Single : A 87 SXM O3B : rot 35:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.892 -5.141 -6.110 1.00 5.03 N ATOM 2 CA MET A 1 -15.490 -5.469 -5.779 1.00 4.76 C ATOM 3 C MET A 1 -14.840 -4.347 -4.945 1.00 3.89 C ATOM 4 O MET A 1 -13.936 -4.604 -4.131 1.00 4.03 O ATOM 5 CB MET A 1 -14.679 -5.723 -7.071 1.00 5.45 C ATOM 6 CG MET A 1 -13.182 -5.967 -6.868 1.00 5.99 C ATOM 7 SD MET A 1 -12.803 -7.398 -5.828 1.00 6.77 S ATOM 8 CE MET A 1 -13.488 -8.740 -6.806 1.00 7.41 C ATOM 0 H1 MET A 1 -17.356 -5.976 -6.521 1.00 5.03 H new ATOM 0 H2 MET A 1 -17.395 -4.855 -5.246 1.00 5.03 H new ATOM 0 H3 MET A 1 -16.913 -4.360 -6.797 1.00 5.03 H new ATOM 0 HA MET A 1 -15.487 -6.379 -5.178 1.00 4.76 H new ATOM 0 HB2 MET A 1 -15.104 -6.586 -7.583 1.00 5.45 H new ATOM 0 HB3 MET A 1 -14.804 -4.866 -7.733 1.00 5.45 H new ATOM 0 HG2 MET A 1 -12.712 -6.104 -7.842 1.00 5.99 H new ATOM 0 HG3 MET A 1 -12.737 -5.078 -6.421 1.00 5.99 H new ATOM 0 HE1 MET A 1 -13.147 -9.694 -6.404 1.00 7.41 H new ATOM 0 HE2 MET A 1 -14.577 -8.699 -6.769 1.00 7.41 H new ATOM 0 HE3 MET A 1 -13.157 -8.643 -7.840 1.00 7.41 H new ATOM 20 N ALA A 2 -15.298 -3.116 -5.127 1.00 3.31 N ATOM 21 CA ALA A 2 -14.749 -1.971 -4.421 1.00 2.65 C ATOM 22 C ALA A 2 -15.239 -1.879 -2.974 1.00 1.95 C ATOM 23 O ALA A 2 -16.035 -1.016 -2.627 1.00 2.26 O ATOM 24 CB ALA A 2 -15.043 -0.682 -5.176 1.00 3.04 C ATOM 0 H ALA A 2 -16.058 -2.885 -5.767 1.00 3.31 H new ATOM 0 HA ALA A 2 -13.669 -2.115 -4.377 1.00 2.65 H new ATOM 0 HB1 ALA A 2 -14.623 0.163 -4.630 1.00 3.04 H new ATOM 0 HB2 ALA A 2 -14.595 -0.731 -6.169 1.00 3.04 H new ATOM 0 HB3 ALA A 2 -16.121 -0.553 -5.270 1.00 3.04 H new ATOM 30 N THR A 3 -14.808 -2.819 -2.167 1.00 1.57 N ATOM 31 CA THR A 3 -15.086 -2.841 -0.759 1.00 1.53 C ATOM 32 C THR A 3 -13.935 -3.587 -0.085 1.00 1.16 C ATOM 33 O THR A 3 -13.840 -4.806 -0.201 1.00 1.58 O ATOM 34 CB THR A 3 -16.391 -3.609 -0.487 1.00 2.24 C ATOM 35 OG1 THR A 3 -17.462 -3.127 -1.339 1.00 2.68 O ATOM 36 CG2 THR A 3 -16.811 -3.458 0.965 1.00 3.11 C ATOM 0 H THR A 3 -14.241 -3.606 -2.483 1.00 1.57 H new ATOM 0 HA THR A 3 -15.189 -1.825 -0.379 1.00 1.53 H new ATOM 0 HB THR A 3 -16.203 -4.661 -0.704 1.00 2.24 H new ATOM 0 HG1 THR A 3 -18.282 -3.630 -1.150 1.00 2.68 H new ATOM 0 HG21 THR A 3 -17.736 -4.009 1.135 1.00 3.11 H new ATOM 0 HG22 THR A 3 -16.029 -3.853 1.613 1.00 3.11 H new ATOM 0 HG23 THR A 3 -16.970 -2.403 1.190 1.00 3.11 H new ATOM 44 N LEU A 4 -13.055 -2.831 0.595 1.00 1.02 N ATOM 45 CA LEU A 4 -11.847 -3.345 1.252 1.00 0.75 C ATOM 46 C LEU A 4 -10.865 -4.053 0.285 1.00 0.71 C ATOM 47 O LEU A 4 -11.189 -4.341 -0.866 1.00 0.97 O ATOM 48 CB LEU A 4 -12.173 -4.230 2.472 1.00 0.70 C ATOM 49 CG LEU A 4 -12.785 -3.532 3.693 1.00 0.76 C ATOM 50 CD1 LEU A 4 -14.215 -3.170 3.456 1.00 1.20 C ATOM 51 CD2 LEU A 4 -12.642 -4.384 4.937 1.00 1.38 C ATOM 0 H LEU A 4 -13.169 -1.823 0.704 1.00 1.02 H new ATOM 0 HA LEU A 4 -11.326 -2.460 1.617 1.00 0.75 H new ATOM 0 HB2 LEU A 4 -12.860 -5.013 2.149 1.00 0.70 H new ATOM 0 HB3 LEU A 4 -11.254 -4.723 2.789 1.00 0.70 H new ATOM 0 HG LEU A 4 -12.231 -2.607 3.852 1.00 0.76 H new ATOM 0 HD11 LEU A 4 -14.617 -2.677 4.341 1.00 1.20 H new ATOM 0 HD12 LEU A 4 -14.283 -2.495 2.603 1.00 1.20 H new ATOM 0 HD13 LEU A 4 -14.790 -4.073 3.251 1.00 1.20 H new ATOM 0 HD21 LEU A 4 -13.085 -3.864 5.787 1.00 1.38 H new ATOM 0 HD22 LEU A 4 -13.153 -5.335 4.787 1.00 1.38 H new ATOM 0 HD23 LEU A 4 -11.586 -4.567 5.133 1.00 1.38 H new ATOM 63 N LEU A 5 -9.652 -4.259 0.745 1.00 0.58 N ATOM 64 CA LEU A 5 -8.644 -4.974 -0.013 1.00 0.50 C ATOM 65 C LEU A 5 -8.042 -6.042 0.833 1.00 0.43 C ATOM 66 O LEU A 5 -7.911 -5.866 2.052 1.00 0.50 O ATOM 67 CB LEU A 5 -7.527 -4.051 -0.541 1.00 0.47 C ATOM 68 CG LEU A 5 -7.905 -3.134 -1.673 1.00 0.53 C ATOM 69 CD1 LEU A 5 -6.682 -2.376 -2.167 1.00 0.72 C ATOM 70 CD2 LEU A 5 -8.519 -3.932 -2.794 1.00 0.97 C ATOM 0 H LEU A 5 -9.333 -3.935 1.658 1.00 0.58 H new ATOM 0 HA LEU A 5 -9.145 -5.407 -0.879 1.00 0.50 H new ATOM 0 HB2 LEU A 5 -7.165 -3.442 0.287 1.00 0.47 H new ATOM 0 HB3 LEU A 5 -6.694 -4.673 -0.867 1.00 0.47 H new ATOM 0 HG LEU A 5 -8.637 -2.410 -1.315 1.00 0.53 H new ATOM 0 HD11 LEU A 5 -6.969 -1.716 -2.986 1.00 0.72 H new ATOM 0 HD12 LEU A 5 -6.267 -1.783 -1.352 1.00 0.72 H new ATOM 0 HD13 LEU A 5 -5.932 -3.085 -2.518 1.00 0.72 H new ATOM 0 HD21 LEU A 5 -8.791 -3.263 -3.611 1.00 0.97 H new ATOM 0 HD22 LEU A 5 -7.800 -4.669 -3.152 1.00 0.97 H new ATOM 0 HD23 LEU A 5 -9.411 -4.442 -2.431 1.00 0.97 H new ATOM 82 N THR A 6 -7.698 -7.140 0.219 1.00 0.40 N ATOM 83 CA THR A 6 -7.058 -8.223 0.911 1.00 0.44 C ATOM 84 C THR A 6 -5.560 -7.962 1.043 1.00 0.46 C ATOM 85 O THR A 6 -5.009 -7.061 0.378 1.00 0.49 O ATOM 86 CB THR A 6 -7.304 -9.576 0.210 1.00 0.54 C ATOM 87 OG1 THR A 6 -6.983 -9.463 -1.194 1.00 0.63 O ATOM 88 CG2 THR A 6 -8.752 -10.021 0.381 1.00 0.56 C ATOM 0 H THR A 6 -7.854 -7.309 -0.775 1.00 0.40 H new ATOM 0 HA THR A 6 -7.499 -8.280 1.906 1.00 0.44 H new ATOM 0 HB THR A 6 -6.661 -10.327 0.669 1.00 0.54 H new ATOM 0 HG1 THR A 6 -7.139 -10.324 -1.635 1.00 0.63 H new ATOM 0 HG21 THR A 6 -8.901 -10.977 -0.122 1.00 0.56 H new ATOM 0 HG22 THR A 6 -8.976 -10.130 1.442 1.00 0.56 H new ATOM 0 HG23 THR A 6 -9.416 -9.275 -0.055 1.00 0.56 H new ATOM 96 N THR A 7 -4.896 -8.751 1.849 1.00 0.49 N ATOM 97 CA THR A 7 -3.493 -8.598 2.051 1.00 0.51 C ATOM 98 C THR A 7 -2.686 -9.104 0.868 1.00 0.46 C ATOM 99 O THR A 7 -1.650 -8.557 0.567 1.00 0.47 O ATOM 100 CB THR A 7 -3.057 -9.252 3.359 1.00 0.64 C ATOM 101 OG1 THR A 7 -3.709 -10.521 3.479 1.00 1.09 O ATOM 102 CG2 THR A 7 -3.437 -8.369 4.531 1.00 0.92 C ATOM 0 H THR A 7 -5.319 -9.513 2.379 1.00 0.49 H new ATOM 0 HA THR A 7 -3.288 -7.530 2.129 1.00 0.51 H new ATOM 0 HB THR A 7 -1.976 -9.388 3.359 1.00 0.64 H new ATOM 0 HG1 THR A 7 -3.435 -10.952 4.316 1.00 1.09 H new ATOM 0 HG21 THR A 7 -3.122 -8.843 5.461 1.00 0.92 H new ATOM 0 HG22 THR A 7 -2.945 -7.401 4.432 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.518 -8.227 4.544 1.00 0.92 H new ATOM 110 N ASP A 8 -3.188 -10.122 0.174 1.00 0.51 N ATOM 111 CA ASP A 8 -2.500 -10.642 -1.020 1.00 0.54 C ATOM 112 C ASP A 8 -2.496 -9.628 -2.146 1.00 0.50 C ATOM 113 O ASP A 8 -1.465 -9.428 -2.803 1.00 0.52 O ATOM 114 CB ASP A 8 -3.107 -11.954 -1.508 1.00 0.69 C ATOM 115 CG ASP A 8 -2.547 -12.400 -2.857 1.00 1.24 C ATOM 116 OD1 ASP A 8 -1.340 -12.650 -2.950 1.00 1.37 O ATOM 117 OD2 ASP A 8 -3.290 -12.460 -3.836 1.00 2.13 O ATOM 0 H ASP A 8 -4.057 -10.603 0.408 1.00 0.51 H new ATOM 0 HA ASP A 8 -1.471 -10.836 -0.719 1.00 0.54 H new ATOM 0 HB2 ASP A 8 -2.922 -12.732 -0.768 1.00 0.69 H new ATOM 0 HB3 ASP A 8 -4.188 -11.841 -1.588 1.00 0.69 H new ATOM 122 N ASP A 9 -3.627 -8.959 -2.330 1.00 0.50 N ATOM 123 CA ASP A 9 -3.768 -7.957 -3.396 1.00 0.55 C ATOM 124 C ASP A 9 -2.802 -6.817 -3.125 1.00 0.47 C ATOM 125 O ASP A 9 -2.023 -6.412 -3.998 1.00 0.49 O ATOM 126 CB ASP A 9 -5.206 -7.433 -3.457 1.00 0.69 C ATOM 127 CG ASP A 9 -5.488 -6.643 -4.718 1.00 1.11 C ATOM 128 OD1 ASP A 9 -5.738 -7.224 -5.767 1.00 1.24 O ATOM 129 OD2 ASP A 9 -5.435 -5.389 -4.665 1.00 1.94 O ATOM 0 H ASP A 9 -4.463 -9.087 -1.759 1.00 0.50 H new ATOM 0 HA ASP A 9 -3.538 -8.415 -4.358 1.00 0.55 H new ATOM 0 HB2 ASP A 9 -5.897 -8.274 -3.398 1.00 0.69 H new ATOM 0 HB3 ASP A 9 -5.396 -6.803 -2.588 1.00 0.69 H new ATOM 134 N LEU A 10 -2.818 -6.360 -1.873 1.00 0.43 N ATOM 135 CA LEU A 10 -1.904 -5.339 -1.385 1.00 0.41 C ATOM 136 C LEU A 10 -0.455 -5.799 -1.578 1.00 0.37 C ATOM 137 O LEU A 10 0.364 -5.085 -2.158 1.00 0.42 O ATOM 138 CB LEU A 10 -2.161 -5.097 0.111 1.00 0.44 C ATOM 139 CG LEU A 10 -1.255 -4.074 0.806 1.00 0.57 C ATOM 140 CD1 LEU A 10 -1.506 -2.678 0.283 1.00 0.83 C ATOM 141 CD2 LEU A 10 -1.444 -4.127 2.303 1.00 0.79 C ATOM 0 H LEU A 10 -3.473 -6.694 -1.166 1.00 0.43 H new ATOM 0 HA LEU A 10 -2.068 -4.417 -1.944 1.00 0.41 H new ATOM 0 HB2 LEU A 10 -3.195 -4.774 0.231 1.00 0.44 H new ATOM 0 HB3 LEU A 10 -2.062 -6.049 0.632 1.00 0.44 H new ATOM 0 HG LEU A 10 -0.221 -4.333 0.581 1.00 0.57 H new ATOM 0 HD11 LEU A 10 -0.849 -1.974 0.794 1.00 0.83 H new ATOM 0 HD12 LEU A 10 -1.305 -2.649 -0.788 1.00 0.83 H new ATOM 0 HD13 LEU A 10 -2.545 -2.403 0.465 1.00 0.83 H new ATOM 0 HD21 LEU A 10 -0.792 -3.394 2.778 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -2.482 -3.902 2.547 1.00 0.79 H new ATOM 0 HD23 LEU A 10 -1.194 -5.124 2.666 1.00 0.79 H new ATOM 153 N ARG A 11 -0.179 -7.013 -1.101 1.00 0.36 N ATOM 154 CA ARG A 11 1.139 -7.643 -1.151 1.00 0.37 C ATOM 155 C ARG A 11 1.721 -7.622 -2.536 1.00 0.37 C ATOM 156 O ARG A 11 2.776 -7.058 -2.755 1.00 0.37 O ATOM 157 CB ARG A 11 1.060 -9.110 -0.663 1.00 0.40 C ATOM 158 CG ARG A 11 2.364 -9.892 -0.798 1.00 0.50 C ATOM 159 CD ARG A 11 2.244 -11.324 -0.277 1.00 0.59 C ATOM 160 NE ARG A 11 1.294 -12.157 -1.039 1.00 0.96 N ATOM 161 CZ ARG A 11 1.311 -13.512 -1.059 1.00 1.40 C ATOM 162 NH1 ARG A 11 2.281 -14.189 -0.441 1.00 1.74 N ATOM 163 NH2 ARG A 11 0.390 -14.166 -1.730 1.00 2.00 N ATOM 0 H ARG A 11 -0.885 -7.600 -0.658 1.00 0.36 H new ATOM 0 HA ARG A 11 1.789 -7.065 -0.493 1.00 0.37 H new ATOM 0 HB2 ARG A 11 0.754 -9.116 0.383 1.00 0.40 H new ATOM 0 HB3 ARG A 11 0.282 -9.626 -1.226 1.00 0.40 H new ATOM 0 HG2 ARG A 11 2.664 -9.914 -1.846 1.00 0.50 H new ATOM 0 HG3 ARG A 11 3.152 -9.375 -0.251 1.00 0.50 H new ATOM 0 HD2 ARG A 11 3.227 -11.794 -0.303 1.00 0.59 H new ATOM 0 HD3 ARG A 11 1.932 -11.296 0.767 1.00 0.59 H new ATOM 0 HE ARG A 11 0.577 -11.682 -1.587 1.00 0.96 H new ATOM 0 HH11 ARG A 11 3.019 -13.687 0.053 1.00 1.74 H new ATOM 0 HH12 ARG A 11 2.284 -15.209 -0.462 1.00 1.74 H new ATOM 0 HH21 ARG A 11 -0.334 -13.654 -2.233 1.00 2.00 H new ATOM 0 HH22 ARG A 11 0.399 -15.186 -1.748 1.00 2.00 H new ATOM 177 N ARG A 12 1.014 -8.192 -3.470 1.00 0.39 N ATOM 178 CA ARG A 12 1.547 -8.370 -4.788 1.00 0.42 C ATOM 179 C ARG A 12 1.729 -7.075 -5.558 1.00 0.42 C ATOM 180 O ARG A 12 2.589 -6.999 -6.428 1.00 0.49 O ATOM 181 CB ARG A 12 0.780 -9.427 -5.551 1.00 0.52 C ATOM 182 CG ARG A 12 0.939 -10.818 -4.941 1.00 1.15 C ATOM 183 CD ARG A 12 2.397 -11.302 -4.991 1.00 1.30 C ATOM 184 NE ARG A 12 2.898 -11.365 -6.351 1.00 1.59 N ATOM 185 CZ ARG A 12 4.181 -11.259 -6.673 1.00 2.08 C ATOM 186 NH1 ARG A 12 5.100 -11.219 -5.731 1.00 2.14 N ATOM 187 NH2 ARG A 12 4.553 -11.219 -7.938 1.00 2.82 N ATOM 0 H ARG A 12 0.065 -8.542 -3.341 1.00 0.39 H new ATOM 0 HA ARG A 12 2.564 -8.743 -4.665 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -0.277 -9.161 -5.571 1.00 0.52 H new ATOM 0 HB3 ARG A 12 1.124 -9.446 -6.585 1.00 0.52 H new ATOM 0 HG2 ARG A 12 0.597 -10.802 -3.906 1.00 1.15 H new ATOM 0 HG3 ARG A 12 0.304 -11.524 -5.476 1.00 1.15 H new ATOM 0 HD2 ARG A 12 3.023 -10.630 -4.404 1.00 1.30 H new ATOM 0 HD3 ARG A 12 2.469 -12.288 -4.531 1.00 1.30 H new ATOM 0 HE ARG A 12 2.224 -11.499 -7.105 1.00 1.59 H new ATOM 0 HH11 ARG A 12 4.827 -11.270 -4.750 1.00 2.14 H new ATOM 0 HH12 ARG A 12 6.085 -11.137 -5.983 1.00 2.14 H new ATOM 0 HH21 ARG A 12 3.852 -11.270 -8.677 1.00 2.82 H new ATOM 0 HH22 ARG A 12 5.541 -11.137 -8.177 1.00 2.82 H new ATOM 201 N ALA A 13 0.960 -6.062 -5.235 1.00 0.41 N ATOM 202 CA ALA A 13 1.160 -4.764 -5.850 1.00 0.47 C ATOM 203 C ALA A 13 2.390 -4.103 -5.224 1.00 0.43 C ATOM 204 O ALA A 13 3.250 -3.543 -5.921 1.00 0.48 O ATOM 205 CB ALA A 13 -0.072 -3.893 -5.657 1.00 0.55 C ATOM 0 H ALA A 13 0.198 -6.106 -4.559 1.00 0.41 H new ATOM 0 HA ALA A 13 1.321 -4.886 -6.921 1.00 0.47 H new ATOM 0 HB1 ALA A 13 0.092 -2.922 -6.124 1.00 0.55 H new ATOM 0 HB2 ALA A 13 -0.934 -4.375 -6.117 1.00 0.55 H new ATOM 0 HB3 ALA A 13 -0.258 -3.757 -4.592 1.00 0.55 H new ATOM 211 N LEU A 14 2.485 -4.243 -3.908 1.00 0.39 N ATOM 212 CA LEU A 14 3.561 -3.677 -3.109 1.00 0.40 C ATOM 213 C LEU A 14 4.912 -4.274 -3.508 1.00 0.39 C ATOM 214 O LEU A 14 5.901 -3.560 -3.623 1.00 0.46 O ATOM 215 CB LEU A 14 3.284 -3.950 -1.621 1.00 0.44 C ATOM 216 CG LEU A 14 4.231 -3.310 -0.609 1.00 0.43 C ATOM 217 CD1 LEU A 14 4.128 -1.798 -0.673 1.00 0.81 C ATOM 218 CD2 LEU A 14 3.920 -3.809 0.793 1.00 0.70 C ATOM 0 H LEU A 14 1.803 -4.763 -3.357 1.00 0.39 H new ATOM 0 HA LEU A 14 3.602 -2.602 -3.286 1.00 0.40 H new ATOM 0 HB2 LEU A 14 2.272 -3.612 -1.398 1.00 0.44 H new ATOM 0 HB3 LEU A 14 3.302 -5.029 -1.466 1.00 0.44 H new ATOM 0 HG LEU A 14 5.253 -3.595 -0.858 1.00 0.43 H new ATOM 0 HD11 LEU A 14 4.809 -1.356 0.054 1.00 0.81 H new ATOM 0 HD12 LEU A 14 4.394 -1.457 -1.674 1.00 0.81 H new ATOM 0 HD13 LEU A 14 3.107 -1.493 -0.446 1.00 0.81 H new ATOM 0 HD21 LEU A 14 4.603 -3.344 1.504 1.00 0.70 H new ATOM 0 HD22 LEU A 14 2.894 -3.549 1.052 1.00 0.70 H new ATOM 0 HD23 LEU A 14 4.040 -4.892 0.829 1.00 0.70 H new ATOM 230 N VAL A 15 4.932 -5.586 -3.718 1.00 0.38 N ATOM 231 CA VAL A 15 6.144 -6.318 -4.095 1.00 0.44 C ATOM 232 C VAL A 15 6.708 -5.843 -5.450 1.00 0.47 C ATOM 233 O VAL A 15 7.930 -5.655 -5.594 1.00 0.54 O ATOM 234 CB VAL A 15 5.890 -7.859 -4.123 1.00 0.51 C ATOM 235 CG1 VAL A 15 7.115 -8.615 -4.601 1.00 0.64 C ATOM 236 CG2 VAL A 15 5.512 -8.353 -2.742 1.00 0.55 C ATOM 0 H VAL A 15 4.106 -6.178 -3.632 1.00 0.38 H new ATOM 0 HA VAL A 15 6.891 -6.104 -3.330 1.00 0.44 H new ATOM 0 HB VAL A 15 5.072 -8.043 -4.820 1.00 0.51 H new ATOM 0 HG11 VAL A 15 6.903 -9.684 -4.608 1.00 0.64 H new ATOM 0 HG12 VAL A 15 7.373 -8.290 -5.609 1.00 0.64 H new ATOM 0 HG13 VAL A 15 7.951 -8.415 -3.930 1.00 0.64 H new ATOM 0 HG21 VAL A 15 5.338 -9.428 -2.775 1.00 0.55 H new ATOM 0 HG22 VAL A 15 6.322 -8.138 -2.044 1.00 0.55 H new ATOM 0 HG23 VAL A 15 4.604 -7.848 -2.411 1.00 0.55 H new ATOM 246 N GLU A 16 5.837 -5.638 -6.431 1.00 0.48 N ATOM 247 CA GLU A 16 6.288 -5.205 -7.755 1.00 0.58 C ATOM 248 C GLU A 16 6.933 -3.825 -7.698 1.00 0.59 C ATOM 249 O GLU A 16 8.019 -3.610 -8.243 1.00 0.74 O ATOM 250 CB GLU A 16 5.153 -5.212 -8.781 1.00 0.69 C ATOM 251 CG GLU A 16 4.555 -6.578 -9.041 1.00 1.08 C ATOM 252 CD GLU A 16 3.558 -6.563 -10.173 1.00 1.37 C ATOM 253 OE1 GLU A 16 2.348 -6.315 -9.933 1.00 1.79 O ATOM 254 OE2 GLU A 16 3.957 -6.806 -11.328 1.00 1.75 O ATOM 0 H GLU A 16 4.828 -5.761 -6.341 1.00 0.48 H new ATOM 0 HA GLU A 16 7.037 -5.928 -8.079 1.00 0.58 H new ATOM 0 HB2 GLU A 16 4.364 -4.543 -8.437 1.00 0.69 H new ATOM 0 HB3 GLU A 16 5.527 -4.807 -9.721 1.00 0.69 H new ATOM 0 HG2 GLU A 16 5.353 -7.283 -9.273 1.00 1.08 H new ATOM 0 HG3 GLU A 16 4.067 -6.936 -8.135 1.00 1.08 H new ATOM 261 N SER A 17 6.308 -2.926 -6.975 1.00 0.55 N ATOM 262 CA SER A 17 6.774 -1.562 -6.892 1.00 0.62 C ATOM 263 C SER A 17 7.888 -1.405 -5.823 1.00 0.66 C ATOM 264 O SER A 17 8.502 -0.344 -5.695 1.00 0.81 O ATOM 265 CB SER A 17 5.579 -0.636 -6.624 1.00 0.66 C ATOM 266 OG SER A 17 5.937 0.730 -6.684 1.00 1.19 O ATOM 0 H SER A 17 5.467 -3.118 -6.431 1.00 0.55 H new ATOM 0 HA SER A 17 7.226 -1.278 -7.842 1.00 0.62 H new ATOM 0 HB2 SER A 17 4.795 -0.837 -7.354 1.00 0.66 H new ATOM 0 HB3 SER A 17 5.163 -0.858 -5.641 1.00 0.66 H new ATOM 0 HG SER A 17 5.766 1.151 -5.816 1.00 1.19 H new ATOM 272 N ALA A 18 8.199 -2.496 -5.117 1.00 0.59 N ATOM 273 CA ALA A 18 9.218 -2.487 -4.055 1.00 0.69 C ATOM 274 C ALA A 18 10.631 -2.386 -4.614 1.00 0.94 C ATOM 275 O ALA A 18 11.608 -2.293 -3.870 1.00 1.31 O ATOM 276 CB ALA A 18 9.091 -3.728 -3.183 1.00 0.71 C ATOM 0 H ALA A 18 7.758 -3.404 -5.261 1.00 0.59 H new ATOM 0 HA ALA A 18 9.039 -1.599 -3.449 1.00 0.69 H new ATOM 0 HB1 ALA A 18 9.852 -3.704 -2.403 1.00 0.71 H new ATOM 0 HB2 ALA A 18 8.102 -3.751 -2.724 1.00 0.71 H new ATOM 0 HB3 ALA A 18 9.227 -4.619 -3.796 1.00 0.71 H new ATOM 282 N GLY A 19 10.727 -2.432 -5.906 1.00 0.84 N ATOM 283 CA GLY A 19 11.979 -2.347 -6.574 1.00 1.12 C ATOM 284 C GLY A 19 11.782 -2.623 -8.020 1.00 1.09 C ATOM 285 O GLY A 19 10.986 -1.941 -8.676 1.00 1.38 O ATOM 0 H GLY A 19 9.926 -2.531 -6.530 1.00 0.84 H new ATOM 0 HA2 GLY A 19 12.411 -1.356 -6.437 1.00 1.12 H new ATOM 0 HA3 GLY A 19 12.681 -3.063 -6.147 1.00 1.12 H new ATOM 289 N GLU A 20 12.431 -3.633 -8.506 1.00 1.07 N ATOM 290 CA GLU A 20 12.326 -4.032 -9.885 1.00 1.31 C ATOM 291 C GLU A 20 12.095 -5.530 -9.951 1.00 1.32 C ATOM 292 O GLU A 20 12.904 -6.287 -9.431 1.00 1.70 O ATOM 293 CB GLU A 20 13.610 -3.642 -10.637 1.00 1.70 C ATOM 294 CG GLU A 20 13.662 -4.068 -12.096 1.00 2.51 C ATOM 295 CD GLU A 20 12.521 -3.522 -12.912 1.00 3.05 C ATOM 296 OE1 GLU A 20 12.630 -2.377 -13.401 1.00 3.58 O ATOM 297 OE2 GLU A 20 11.477 -4.211 -13.053 1.00 3.30 O ATOM 0 H GLU A 20 13.059 -4.216 -7.953 1.00 1.07 H new ATOM 0 HA GLU A 20 11.486 -3.524 -10.358 1.00 1.31 H new ATOM 0 HB2 GLU A 20 13.726 -2.559 -10.587 1.00 1.70 H new ATOM 0 HB3 GLU A 20 14.463 -4.078 -10.117 1.00 1.70 H new ATOM 0 HG2 GLU A 20 14.604 -3.736 -12.532 1.00 2.51 H new ATOM 0 HG3 GLU A 20 13.652 -5.157 -12.151 1.00 2.51 H new ATOM 304 N THR A 21 10.971 -5.930 -10.561 1.00 1.59 N ATOM 305 CA THR A 21 10.596 -7.337 -10.747 1.00 1.78 C ATOM 306 C THR A 21 10.653 -8.107 -9.407 1.00 1.49 C ATOM 307 O THR A 21 11.627 -8.830 -9.110 1.00 1.79 O ATOM 308 CB THR A 21 11.498 -7.989 -11.805 1.00 2.25 C ATOM 309 OG1 THR A 21 11.563 -7.116 -12.962 1.00 2.61 O ATOM 310 CG2 THR A 21 10.936 -9.340 -12.236 1.00 2.75 C ATOM 0 H THR A 21 10.288 -5.276 -10.944 1.00 1.59 H new ATOM 0 HA THR A 21 9.567 -7.379 -11.103 1.00 1.78 H new ATOM 0 HB THR A 21 12.490 -8.142 -11.379 1.00 2.25 H new ATOM 0 HG1 THR A 21 12.138 -7.520 -13.645 1.00 2.61 H new ATOM 0 HG21 THR A 21 11.591 -9.784 -12.986 1.00 2.75 H new ATOM 0 HG22 THR A 21 10.874 -10.001 -11.371 1.00 2.75 H new ATOM 0 HG23 THR A 21 9.941 -9.202 -12.659 1.00 2.75 H new ATOM 318 N ASP A 22 9.633 -7.853 -8.585 1.00 1.18 N ATOM 319 CA ASP A 22 9.528 -8.365 -7.211 1.00 0.96 C ATOM 320 C ASP A 22 10.689 -7.838 -6.385 1.00 0.88 C ATOM 321 O ASP A 22 11.719 -8.509 -6.221 1.00 1.33 O ATOM 322 CB ASP A 22 9.429 -9.920 -7.093 1.00 1.20 C ATOM 323 CG ASP A 22 8.189 -10.535 -7.699 1.00 1.45 C ATOM 324 OD1 ASP A 22 8.018 -10.529 -8.928 1.00 2.09 O ATOM 325 OD2 ASP A 22 7.381 -11.081 -6.945 1.00 1.65 O ATOM 0 H ASP A 22 8.839 -7.274 -8.858 1.00 1.18 H new ATOM 0 HA ASP A 22 8.578 -7.996 -6.823 1.00 0.96 H new ATOM 0 HB2 ASP A 22 10.304 -10.361 -7.571 1.00 1.20 H new ATOM 0 HB3 ASP A 22 9.471 -10.191 -6.038 1.00 1.20 H new ATOM 330 N GLY A 23 10.535 -6.609 -5.909 1.00 0.62 N ATOM 331 CA GLY A 23 11.593 -5.938 -5.172 1.00 0.64 C ATOM 332 C GLY A 23 11.939 -6.654 -3.901 1.00 0.74 C ATOM 333 O GLY A 23 13.101 -6.880 -3.599 1.00 1.25 O ATOM 0 H GLY A 23 9.685 -6.057 -6.022 1.00 0.62 H new ATOM 0 HA2 GLY A 23 12.481 -5.866 -5.800 1.00 0.64 H new ATOM 0 HA3 GLY A 23 11.282 -4.919 -4.940 1.00 0.64 H new ATOM 337 N THR A 24 10.932 -7.008 -3.177 1.00 0.68 N ATOM 338 CA THR A 24 11.060 -7.744 -1.975 1.00 0.78 C ATOM 339 C THR A 24 9.672 -8.260 -1.672 1.00 0.70 C ATOM 340 O THR A 24 8.689 -7.553 -1.916 1.00 0.94 O ATOM 341 CB THR A 24 11.639 -6.856 -0.803 1.00 1.01 C ATOM 342 OG1 THR A 24 11.885 -7.652 0.361 1.00 1.78 O ATOM 343 CG2 THR A 24 10.723 -5.687 -0.436 1.00 0.96 C ATOM 0 H THR A 24 9.967 -6.783 -3.418 1.00 0.68 H new ATOM 0 HA THR A 24 11.771 -8.564 -2.078 1.00 0.78 H new ATOM 0 HB THR A 24 12.576 -6.438 -1.171 1.00 1.01 H new ATOM 0 HG1 THR A 24 12.245 -7.085 1.075 1.00 1.78 H new ATOM 0 HG21 THR A 24 11.173 -5.113 0.374 1.00 0.96 H new ATOM 0 HG22 THR A 24 10.588 -5.043 -1.305 1.00 0.96 H new ATOM 0 HG23 THR A 24 9.754 -6.071 -0.115 1.00 0.96 H new ATOM 351 N ASP A 25 9.574 -9.497 -1.289 1.00 0.63 N ATOM 352 CA ASP A 25 8.289 -10.098 -1.004 1.00 0.57 C ATOM 353 C ASP A 25 7.851 -9.745 0.367 1.00 0.74 C ATOM 354 O ASP A 25 8.622 -9.843 1.319 1.00 1.73 O ATOM 355 CB ASP A 25 8.320 -11.621 -1.130 1.00 0.66 C ATOM 356 CG ASP A 25 8.538 -12.108 -2.533 1.00 1.34 C ATOM 357 OD1 ASP A 25 9.672 -12.011 -3.031 1.00 1.86 O ATOM 358 OD2 ASP A 25 7.557 -12.535 -3.184 1.00 2.00 O ATOM 0 H ASP A 25 10.371 -10.121 -1.163 1.00 0.63 H new ATOM 0 HA ASP A 25 7.589 -9.706 -1.742 1.00 0.57 H new ATOM 0 HB2 ASP A 25 9.112 -12.013 -0.492 1.00 0.66 H new ATOM 0 HB3 ASP A 25 7.380 -12.026 -0.756 1.00 0.66 H new ATOM 363 N LEU A 26 6.638 -9.324 0.477 1.00 0.53 N ATOM 364 CA LEU A 26 6.069 -9.016 1.744 1.00 0.46 C ATOM 365 C LEU A 26 4.999 -10.024 2.047 1.00 0.60 C ATOM 366 O LEU A 26 3.824 -9.737 1.939 1.00 0.86 O ATOM 367 CB LEU A 26 5.500 -7.572 1.829 1.00 0.43 C ATOM 368 CG LEU A 26 6.488 -6.388 1.795 1.00 0.42 C ATOM 369 CD1 LEU A 26 7.608 -6.568 2.803 1.00 0.71 C ATOM 370 CD2 LEU A 26 7.022 -6.120 0.398 1.00 0.79 C ATOM 0 H LEU A 26 6.009 -9.183 -0.314 1.00 0.53 H new ATOM 0 HA LEU A 26 6.865 -9.064 2.487 1.00 0.46 H new ATOM 0 HB2 LEU A 26 4.799 -7.443 1.004 1.00 0.43 H new ATOM 0 HB3 LEU A 26 4.924 -7.497 2.751 1.00 0.43 H new ATOM 0 HG LEU A 26 5.927 -5.500 2.087 1.00 0.42 H new ATOM 0 HD11 LEU A 26 8.285 -5.715 2.751 1.00 0.71 H new ATOM 0 HD12 LEU A 26 7.187 -6.637 3.806 1.00 0.71 H new ATOM 0 HD13 LEU A 26 8.158 -7.482 2.577 1.00 0.71 H new ATOM 0 HD21 LEU A 26 7.713 -5.277 0.428 1.00 0.79 H new ATOM 0 HD22 LEU A 26 7.544 -7.004 0.032 1.00 0.79 H new ATOM 0 HD23 LEU A 26 6.193 -5.886 -0.270 1.00 0.79 H new ATOM 382 N SER A 27 5.414 -11.228 2.308 1.00 0.69 N ATOM 383 CA SER A 27 4.498 -12.282 2.645 1.00 0.87 C ATOM 384 C SER A 27 4.561 -12.537 4.140 1.00 0.86 C ATOM 385 O SER A 27 5.572 -12.211 4.786 1.00 1.38 O ATOM 386 CB SER A 27 4.834 -13.545 1.856 1.00 1.31 C ATOM 387 OG SER A 27 4.797 -13.294 0.448 1.00 1.77 O ATOM 0 H SER A 27 6.394 -11.509 2.294 1.00 0.69 H new ATOM 0 HA SER A 27 3.482 -11.987 2.381 1.00 0.87 H new ATOM 0 HB2 SER A 27 5.824 -13.903 2.139 1.00 1.31 H new ATOM 0 HB3 SER A 27 4.126 -14.334 2.107 1.00 1.31 H new ATOM 0 HG SER A 27 4.842 -14.144 -0.037 1.00 1.77 H new ATOM 393 N GLY A 28 3.499 -13.064 4.686 1.00 0.85 N ATOM 394 CA GLY A 28 3.444 -13.331 6.097 1.00 1.04 C ATOM 395 C GLY A 28 2.942 -12.114 6.817 1.00 0.98 C ATOM 396 O GLY A 28 1.974 -11.488 6.380 1.00 1.37 O ATOM 0 H GLY A 28 2.656 -13.318 4.172 1.00 0.85 H new ATOM 0 HA2 GLY A 28 2.787 -14.179 6.292 1.00 1.04 H new ATOM 0 HA3 GLY A 28 4.433 -13.602 6.465 1.00 1.04 H new ATOM 400 N ASP A 29 3.584 -11.741 7.883 1.00 0.88 N ATOM 401 CA ASP A 29 3.181 -10.551 8.588 1.00 0.85 C ATOM 402 C ASP A 29 3.982 -9.377 8.040 1.00 0.73 C ATOM 403 O ASP A 29 5.185 -9.255 8.257 1.00 0.93 O ATOM 404 CB ASP A 29 3.313 -10.686 10.138 1.00 1.08 C ATOM 405 CG ASP A 29 4.738 -10.715 10.664 1.00 1.69 C ATOM 406 OD1 ASP A 29 5.428 -11.751 10.502 1.00 2.39 O ATOM 407 OD2 ASP A 29 5.179 -9.696 11.262 1.00 2.15 O ATOM 0 H ASP A 29 4.382 -12.234 8.284 1.00 0.88 H new ATOM 0 HA ASP A 29 2.118 -10.382 8.417 1.00 0.85 H new ATOM 0 HB2 ASP A 29 2.787 -9.854 10.606 1.00 1.08 H new ATOM 0 HB3 ASP A 29 2.808 -11.599 10.452 1.00 1.08 H new ATOM 412 N PHE A 30 3.341 -8.563 7.263 1.00 0.56 N ATOM 413 CA PHE A 30 4.027 -7.440 6.658 1.00 0.50 C ATOM 414 C PHE A 30 3.299 -6.142 6.910 1.00 0.41 C ATOM 415 O PHE A 30 3.817 -5.081 6.630 1.00 0.40 O ATOM 416 CB PHE A 30 4.195 -7.661 5.146 1.00 0.50 C ATOM 417 CG PHE A 30 2.903 -7.690 4.350 1.00 0.43 C ATOM 418 CD1 PHE A 30 2.116 -8.833 4.302 1.00 0.50 C ATOM 419 CD2 PHE A 30 2.487 -6.571 3.640 1.00 0.42 C ATOM 420 CE1 PHE A 30 0.949 -8.855 3.567 1.00 0.53 C ATOM 421 CE2 PHE A 30 1.321 -6.593 2.904 1.00 0.45 C ATOM 422 CZ PHE A 30 0.552 -7.734 2.868 1.00 0.50 C ATOM 0 H PHE A 30 2.352 -8.644 7.027 1.00 0.56 H new ATOM 0 HA PHE A 30 5.011 -7.371 7.122 1.00 0.50 H new ATOM 0 HB2 PHE A 30 4.831 -6.870 4.748 1.00 0.50 H new ATOM 0 HB3 PHE A 30 4.721 -8.603 4.989 1.00 0.50 H new ATOM 0 HD1 PHE A 30 2.421 -9.715 4.846 1.00 0.50 H new ATOM 0 HD2 PHE A 30 3.085 -5.672 3.665 1.00 0.42 H new ATOM 0 HE1 PHE A 30 0.346 -9.750 3.539 1.00 0.53 H new ATOM 0 HE2 PHE A 30 1.011 -5.715 2.356 1.00 0.45 H new ATOM 0 HZ PHE A 30 -0.362 -7.752 2.293 1.00 0.50 H new ATOM 432 N LEU A 31 2.117 -6.228 7.482 1.00 0.43 N ATOM 433 CA LEU A 31 1.275 -5.055 7.649 1.00 0.44 C ATOM 434 C LEU A 31 1.837 -4.088 8.654 1.00 0.52 C ATOM 435 O LEU A 31 1.729 -2.883 8.486 1.00 0.66 O ATOM 436 CB LEU A 31 -0.168 -5.422 8.034 1.00 0.52 C ATOM 437 CG LEU A 31 -1.057 -6.065 6.959 1.00 0.68 C ATOM 438 CD1 LEU A 31 -1.144 -5.184 5.732 1.00 0.88 C ATOM 439 CD2 LEU A 31 -0.589 -7.459 6.594 1.00 1.47 C ATOM 0 H LEU A 31 1.715 -7.094 7.840 1.00 0.43 H new ATOM 0 HA LEU A 31 1.257 -4.567 6.675 1.00 0.44 H new ATOM 0 HB2 LEU A 31 -0.124 -6.104 8.884 1.00 0.52 H new ATOM 0 HB3 LEU A 31 -0.663 -4.514 8.379 1.00 0.52 H new ATOM 0 HG LEU A 31 -2.057 -6.162 7.383 1.00 0.68 H new ATOM 0 HD11 LEU A 31 -1.779 -5.661 4.986 1.00 0.88 H new ATOM 0 HD12 LEU A 31 -1.569 -4.219 6.007 1.00 0.88 H new ATOM 0 HD13 LEU A 31 -0.146 -5.036 5.319 1.00 0.88 H new ATOM 0 HD21 LEU A 31 -1.246 -7.875 5.831 1.00 1.47 H new ATOM 0 HD22 LEU A 31 0.430 -7.412 6.209 1.00 1.47 H new ATOM 0 HD23 LEU A 31 -0.613 -8.094 7.479 1.00 1.47 H new ATOM 451 N ASP A 32 2.458 -4.603 9.673 1.00 0.60 N ATOM 452 CA ASP A 32 2.955 -3.753 10.740 1.00 0.84 C ATOM 453 C ASP A 32 4.432 -3.523 10.586 1.00 0.71 C ATOM 454 O ASP A 32 5.043 -2.789 11.363 1.00 0.85 O ATOM 455 CB ASP A 32 2.639 -4.346 12.112 1.00 1.20 C ATOM 456 CG ASP A 32 1.154 -4.484 12.373 1.00 1.57 C ATOM 457 OD1 ASP A 32 0.525 -5.424 11.863 1.00 2.21 O ATOM 458 OD2 ASP A 32 0.575 -3.617 13.063 1.00 2.05 O ATOM 0 H ASP A 32 2.637 -5.599 9.798 1.00 0.60 H new ATOM 0 HA ASP A 32 2.447 -2.791 10.669 1.00 0.84 H new ATOM 0 HB2 ASP A 32 3.109 -5.326 12.194 1.00 1.20 H new ATOM 0 HB3 ASP A 32 3.080 -3.715 12.884 1.00 1.20 H new ATOM 463 N LEU A 33 5.000 -4.137 9.568 1.00 0.55 N ATOM 464 CA LEU A 33 6.381 -3.985 9.254 1.00 0.52 C ATOM 465 C LEU A 33 6.502 -2.641 8.583 1.00 0.51 C ATOM 466 O LEU A 33 5.802 -2.374 7.617 1.00 0.77 O ATOM 467 CB LEU A 33 6.795 -5.118 8.313 1.00 0.60 C ATOM 468 CG LEU A 33 8.270 -5.268 8.030 1.00 0.84 C ATOM 469 CD1 LEU A 33 9.052 -5.485 9.324 1.00 1.48 C ATOM 470 CD2 LEU A 33 8.484 -6.423 7.073 1.00 1.44 C ATOM 0 H LEU A 33 4.498 -4.760 8.936 1.00 0.55 H new ATOM 0 HA LEU A 33 7.027 -4.031 10.131 1.00 0.52 H new ATOM 0 HB2 LEU A 33 6.433 -6.057 8.733 1.00 0.60 H new ATOM 0 HB3 LEU A 33 6.280 -4.975 7.363 1.00 0.60 H new ATOM 0 HG LEU A 33 8.639 -4.351 7.571 1.00 0.84 H new ATOM 0 HD11 LEU A 33 10.112 -5.590 9.095 1.00 1.48 H new ATOM 0 HD12 LEU A 33 8.907 -4.630 9.985 1.00 1.48 H new ATOM 0 HD13 LEU A 33 8.696 -6.389 9.817 1.00 1.48 H new ATOM 0 HD21 LEU A 33 9.549 -6.533 6.867 1.00 1.44 H new ATOM 0 HD22 LEU A 33 8.104 -7.341 7.521 1.00 1.44 H new ATOM 0 HD23 LEU A 33 7.953 -6.227 6.141 1.00 1.44 H new ATOM 482 N ARG A 34 7.339 -1.791 9.096 1.00 0.35 N ATOM 483 CA ARG A 34 7.377 -0.430 8.626 1.00 0.37 C ATOM 484 C ARG A 34 8.040 -0.336 7.272 1.00 0.37 C ATOM 485 O ARG A 34 8.913 -1.144 6.936 1.00 0.49 O ATOM 486 CB ARG A 34 8.129 0.447 9.609 1.00 0.44 C ATOM 487 CG ARG A 34 7.587 0.423 11.023 1.00 0.53 C ATOM 488 CD ARG A 34 8.391 1.343 11.903 1.00 0.95 C ATOM 489 NE ARG A 34 8.356 2.705 11.384 1.00 1.56 N ATOM 490 CZ ARG A 34 9.355 3.582 11.420 1.00 2.31 C ATOM 491 NH1 ARG A 34 10.532 3.248 11.933 1.00 2.63 N ATOM 492 NH2 ARG A 34 9.175 4.774 10.905 1.00 3.28 N ATOM 0 H ARG A 34 8.004 -2.010 9.837 1.00 0.35 H new ATOM 0 HA ARG A 34 6.347 -0.085 8.538 1.00 0.37 H new ATOM 0 HB2 ARG A 34 9.173 0.134 9.629 1.00 0.44 H new ATOM 0 HB3 ARG A 34 8.112 1.474 9.245 1.00 0.44 H new ATOM 0 HG2 ARG A 34 6.541 0.729 11.025 1.00 0.53 H new ATOM 0 HG3 ARG A 34 7.623 -0.593 11.417 1.00 0.53 H new ATOM 0 HD2 ARG A 34 7.994 1.324 12.918 1.00 0.95 H new ATOM 0 HD3 ARG A 34 9.422 0.995 11.957 1.00 0.95 H new ATOM 0 HE ARG A 34 7.484 3.014 10.953 1.00 1.56 H new ATOM 0 HH11 ARG A 34 10.678 2.310 12.305 1.00 2.63 H new ATOM 0 HH12 ARG A 34 11.291 3.929 11.955 1.00 2.63 H new ATOM 0 HH21 ARG A 34 8.278 5.018 10.484 1.00 3.28 H new ATOM 0 HH22 ARG A 34 9.932 5.458 10.925 1.00 3.28 H new ATOM 506 N PHE A 35 7.655 0.661 6.498 1.00 0.32 N ATOM 507 CA PHE A 35 8.303 0.911 5.223 1.00 0.35 C ATOM 508 C PHE A 35 9.734 1.348 5.443 1.00 0.46 C ATOM 509 O PHE A 35 10.590 1.167 4.588 1.00 0.53 O ATOM 510 CB PHE A 35 7.536 1.921 4.372 1.00 0.33 C ATOM 511 CG PHE A 35 6.269 1.365 3.806 1.00 0.34 C ATOM 512 CD1 PHE A 35 6.313 0.349 2.879 1.00 0.43 C ATOM 513 CD2 PHE A 35 5.047 1.844 4.196 1.00 0.37 C ATOM 514 CE1 PHE A 35 5.164 -0.180 2.351 1.00 0.52 C ATOM 515 CE2 PHE A 35 3.887 1.321 3.670 1.00 0.44 C ATOM 516 CZ PHE A 35 3.946 0.306 2.746 1.00 0.53 C ATOM 0 H PHE A 35 6.901 1.308 6.727 1.00 0.32 H new ATOM 0 HA PHE A 35 8.306 -0.024 4.663 1.00 0.35 H new ATOM 0 HB2 PHE A 35 7.303 2.796 4.978 1.00 0.33 H new ATOM 0 HB3 PHE A 35 8.174 2.259 3.556 1.00 0.33 H new ATOM 0 HD1 PHE A 35 7.270 -0.039 2.562 1.00 0.43 H new ATOM 0 HD2 PHE A 35 4.992 2.640 4.924 1.00 0.37 H new ATOM 0 HE1 PHE A 35 5.219 -0.978 1.625 1.00 0.52 H new ATOM 0 HE2 PHE A 35 2.929 1.709 3.984 1.00 0.44 H new ATOM 0 HZ PHE A 35 3.037 -0.106 2.333 1.00 0.53 H new ATOM 526 N GLU A 36 9.986 1.878 6.624 1.00 0.59 N ATOM 527 CA GLU A 36 11.313 2.263 7.039 1.00 0.80 C ATOM 528 C GLU A 36 12.174 0.996 7.189 1.00 0.82 C ATOM 529 O GLU A 36 13.373 1.004 6.937 1.00 0.94 O ATOM 530 CB GLU A 36 11.229 2.976 8.386 1.00 1.02 C ATOM 531 CG GLU A 36 12.498 3.693 8.793 1.00 1.13 C ATOM 532 CD GLU A 36 12.779 4.869 7.900 1.00 1.46 C ATOM 533 OE1 GLU A 36 13.422 4.707 6.850 1.00 1.95 O ATOM 534 OE2 GLU A 36 12.326 5.985 8.220 1.00 1.87 O ATOM 0 H GLU A 36 9.267 2.053 7.326 1.00 0.59 H new ATOM 0 HA GLU A 36 11.757 2.929 6.299 1.00 0.80 H new ATOM 0 HB2 GLU A 36 10.413 3.698 8.351 1.00 1.02 H new ATOM 0 HB3 GLU A 36 10.976 2.246 9.155 1.00 1.02 H new ATOM 0 HG2 GLU A 36 12.410 4.032 9.825 1.00 1.13 H new ATOM 0 HG3 GLU A 36 13.337 2.998 8.756 1.00 1.13 H new ATOM 541 N ASP A 37 11.526 -0.105 7.561 1.00 0.76 N ATOM 542 CA ASP A 37 12.215 -1.369 7.794 1.00 0.84 C ATOM 543 C ASP A 37 12.561 -2.032 6.494 1.00 0.79 C ATOM 544 O ASP A 37 13.620 -2.637 6.359 1.00 0.97 O ATOM 545 CB ASP A 37 11.387 -2.351 8.649 1.00 0.93 C ATOM 546 CG ASP A 37 11.109 -1.870 10.048 1.00 1.26 C ATOM 547 OD1 ASP A 37 12.053 -1.405 10.734 1.00 1.31 O ATOM 548 OD2 ASP A 37 9.953 -1.982 10.508 1.00 1.98 O ATOM 0 H ASP A 37 10.517 -0.146 7.708 1.00 0.76 H new ATOM 0 HA ASP A 37 13.123 -1.122 8.345 1.00 0.84 H new ATOM 0 HB2 ASP A 37 10.438 -2.541 8.147 1.00 0.93 H new ATOM 0 HB3 ASP A 37 11.915 -3.303 8.703 1.00 0.93 H new ATOM 553 N ILE A 38 11.684 -1.905 5.519 1.00 0.62 N ATOM 554 CA ILE A 38 11.904 -2.546 4.243 1.00 0.62 C ATOM 555 C ILE A 38 12.574 -1.614 3.230 1.00 0.63 C ATOM 556 O ILE A 38 12.635 -1.923 2.036 1.00 0.69 O ATOM 557 CB ILE A 38 10.613 -3.195 3.654 1.00 0.63 C ATOM 558 CG1 ILE A 38 9.507 -2.149 3.457 1.00 0.55 C ATOM 559 CG2 ILE A 38 10.124 -4.317 4.571 1.00 0.72 C ATOM 560 CD1 ILE A 38 8.233 -2.704 2.844 1.00 0.65 C ATOM 0 H ILE A 38 10.820 -1.368 5.586 1.00 0.62 H new ATOM 0 HA ILE A 38 12.599 -3.362 4.443 1.00 0.62 H new ATOM 0 HB ILE A 38 10.858 -3.613 2.678 1.00 0.63 H new ATOM 0 HG12 ILE A 38 9.269 -1.701 4.422 1.00 0.55 H new ATOM 0 HG13 ILE A 38 9.886 -1.350 2.820 1.00 0.55 H new ATOM 0 HG21 ILE A 38 9.223 -4.763 4.151 1.00 0.72 H new ATOM 0 HG22 ILE A 38 10.899 -5.079 4.659 1.00 0.72 H new ATOM 0 HG23 ILE A 38 9.902 -3.910 5.557 1.00 0.72 H new ATOM 0 HD11 ILE A 38 7.501 -1.903 2.738 1.00 0.65 H new ATOM 0 HD12 ILE A 38 8.455 -3.126 1.864 1.00 0.65 H new ATOM 0 HD13 ILE A 38 7.827 -3.482 3.490 1.00 0.65 H new ATOM 572 N GLY A 39 13.149 -0.520 3.743 1.00 0.66 N ATOM 573 CA GLY A 39 13.879 0.452 2.927 1.00 0.76 C ATOM 574 C GLY A 39 13.046 0.987 1.789 1.00 0.64 C ATOM 575 O GLY A 39 13.476 0.990 0.629 1.00 0.74 O ATOM 0 H GLY A 39 13.120 -0.285 4.735 1.00 0.66 H new ATOM 0 HA2 GLY A 39 14.204 1.280 3.557 1.00 0.76 H new ATOM 0 HA3 GLY A 39 14.778 -0.016 2.527 1.00 0.76 H new ATOM 579 N TYR A 40 11.879 1.445 2.111 1.00 0.50 N ATOM 580 CA TYR A 40 10.938 1.866 1.123 1.00 0.41 C ATOM 581 C TYR A 40 10.854 3.379 1.091 1.00 0.40 C ATOM 582 O TYR A 40 10.459 4.000 2.085 1.00 0.57 O ATOM 583 CB TYR A 40 9.581 1.299 1.503 1.00 0.43 C ATOM 584 CG TYR A 40 8.761 0.783 0.368 1.00 0.41 C ATOM 585 CD1 TYR A 40 9.010 -0.472 -0.139 1.00 0.67 C ATOM 586 CD2 TYR A 40 7.733 1.527 -0.182 1.00 0.65 C ATOM 587 CE1 TYR A 40 8.262 -0.982 -1.174 1.00 0.99 C ATOM 588 CE2 TYR A 40 6.976 1.025 -1.218 1.00 0.97 C ATOM 589 CZ TYR A 40 7.242 -0.224 -1.716 1.00 1.10 C ATOM 590 OH TYR A 40 6.484 -0.715 -2.762 1.00 1.52 O ATOM 0 H TYR A 40 11.550 1.538 3.072 1.00 0.50 H new ATOM 0 HA TYR A 40 11.248 1.513 0.139 1.00 0.41 H new ATOM 0 HB2 TYR A 40 9.732 0.490 2.217 1.00 0.43 H new ATOM 0 HB3 TYR A 40 9.013 2.075 2.016 1.00 0.43 H new ATOM 0 HD1 TYR A 40 9.807 -1.067 0.283 1.00 0.67 H new ATOM 0 HD2 TYR A 40 7.521 2.513 0.205 1.00 0.65 H new ATOM 0 HE1 TYR A 40 8.470 -1.969 -1.561 1.00 0.99 H new ATOM 0 HE2 TYR A 40 6.174 1.615 -1.637 1.00 0.97 H new ATOM 0 HH TYR A 40 5.711 -0.131 -2.908 1.00 1.52 H new ATOM 600 N ASP A 41 11.242 3.978 -0.014 1.00 0.45 N ATOM 601 CA ASP A 41 11.068 5.419 -0.172 1.00 0.57 C ATOM 602 C ASP A 41 9.610 5.650 -0.519 1.00 0.46 C ATOM 603 O ASP A 41 8.959 4.745 -1.085 1.00 0.44 O ATOM 604 CB ASP A 41 11.980 5.991 -1.275 1.00 0.78 C ATOM 605 CG ASP A 41 11.869 7.507 -1.409 1.00 1.35 C ATOM 606 OD1 ASP A 41 11.004 7.998 -2.172 1.00 2.04 O ATOM 607 OD2 ASP A 41 12.633 8.231 -0.743 1.00 1.88 O ATOM 0 H ASP A 41 11.674 3.506 -0.808 1.00 0.45 H new ATOM 0 HA ASP A 41 11.344 5.930 0.750 1.00 0.57 H new ATOM 0 HB2 ASP A 41 13.015 5.725 -1.058 1.00 0.78 H new ATOM 0 HB3 ASP A 41 11.724 5.527 -2.228 1.00 0.78 H new ATOM 612 N SER A 42 9.085 6.812 -0.217 1.00 0.46 N ATOM 613 CA SER A 42 7.684 7.063 -0.418 1.00 0.47 C ATOM 614 C SER A 42 7.331 7.073 -1.897 1.00 0.45 C ATOM 615 O SER A 42 6.208 6.827 -2.235 1.00 0.49 O ATOM 616 CB SER A 42 7.268 8.364 0.217 1.00 0.66 C ATOM 617 OG SER A 42 7.984 8.546 1.473 1.00 1.03 O ATOM 0 H SER A 42 9.609 7.597 0.169 1.00 0.46 H new ATOM 0 HA SER A 42 7.139 6.250 0.062 1.00 0.47 H new ATOM 0 HB2 SER A 42 7.480 9.194 -0.458 1.00 0.66 H new ATOM 0 HB3 SER A 42 6.193 8.365 0.396 1.00 0.66 H new ATOM 622 N LEU A 43 8.311 7.319 -2.775 1.00 0.51 N ATOM 623 CA LEU A 43 8.059 7.340 -4.221 1.00 0.63 C ATOM 624 C LEU A 43 7.547 5.966 -4.674 1.00 0.56 C ATOM 625 O LEU A 43 6.556 5.865 -5.406 1.00 0.61 O ATOM 626 CB LEU A 43 9.347 7.761 -4.989 1.00 0.82 C ATOM 627 CG LEU A 43 9.219 8.129 -6.497 1.00 1.11 C ATOM 628 CD1 LEU A 43 8.960 6.919 -7.393 1.00 1.63 C ATOM 629 CD2 LEU A 43 8.126 9.165 -6.691 1.00 1.86 C ATOM 0 H LEU A 43 9.279 7.505 -2.512 1.00 0.51 H new ATOM 0 HA LEU A 43 7.291 8.079 -4.448 1.00 0.63 H new ATOM 0 HB2 LEU A 43 9.777 8.619 -4.472 1.00 0.82 H new ATOM 0 HB3 LEU A 43 10.066 6.946 -4.905 1.00 0.82 H new ATOM 0 HG LEU A 43 10.181 8.542 -6.800 1.00 1.11 H new ATOM 0 HD11 LEU A 43 8.881 7.245 -8.430 1.00 1.63 H new ATOM 0 HD12 LEU A 43 9.784 6.212 -7.296 1.00 1.63 H new ATOM 0 HD13 LEU A 43 8.030 6.436 -7.093 1.00 1.63 H new ATOM 0 HD21 LEU A 43 8.045 9.415 -7.749 1.00 1.86 H new ATOM 0 HD22 LEU A 43 7.176 8.762 -6.340 1.00 1.86 H new ATOM 0 HD23 LEU A 43 8.371 10.063 -6.124 1.00 1.86 H new ATOM 641 N ALA A 44 8.186 4.919 -4.185 1.00 0.50 N ATOM 642 CA ALA A 44 7.793 3.560 -4.515 1.00 0.48 C ATOM 643 C ALA A 44 6.422 3.259 -3.915 1.00 0.41 C ATOM 644 O ALA A 44 5.606 2.543 -4.499 1.00 0.47 O ATOM 645 CB ALA A 44 8.832 2.575 -4.004 1.00 0.51 C ATOM 0 H ALA A 44 8.985 4.984 -3.554 1.00 0.50 H new ATOM 0 HA ALA A 44 7.730 3.458 -5.598 1.00 0.48 H new ATOM 0 HB1 ALA A 44 8.526 1.560 -4.257 1.00 0.51 H new ATOM 0 HB2 ALA A 44 9.795 2.790 -4.466 1.00 0.51 H new ATOM 0 HB3 ALA A 44 8.920 2.668 -2.922 1.00 0.51 H new ATOM 651 N LEU A 45 6.171 3.857 -2.764 1.00 0.34 N ATOM 652 CA LEU A 45 4.917 3.702 -2.059 1.00 0.31 C ATOM 653 C LEU A 45 3.796 4.451 -2.782 1.00 0.32 C ATOM 654 O LEU A 45 2.672 3.975 -2.845 1.00 0.34 O ATOM 655 CB LEU A 45 5.079 4.170 -0.607 1.00 0.29 C ATOM 656 CG LEU A 45 3.848 4.098 0.295 1.00 0.33 C ATOM 657 CD1 LEU A 45 3.257 2.694 0.299 1.00 0.86 C ATOM 658 CD2 LEU A 45 4.233 4.509 1.705 1.00 0.86 C ATOM 0 H LEU A 45 6.838 4.467 -2.291 1.00 0.34 H new ATOM 0 HA LEU A 45 4.637 2.649 -2.043 1.00 0.31 H new ATOM 0 HB2 LEU A 45 5.869 3.576 -0.147 1.00 0.29 H new ATOM 0 HB3 LEU A 45 5.426 5.203 -0.623 1.00 0.29 H new ATOM 0 HG LEU A 45 3.090 4.780 -0.090 1.00 0.33 H new ATOM 0 HD11 LEU A 45 2.382 2.669 0.949 1.00 0.86 H new ATOM 0 HD12 LEU A 45 2.964 2.419 -0.714 1.00 0.86 H new ATOM 0 HD13 LEU A 45 4.001 1.987 0.666 1.00 0.86 H new ATOM 0 HD21 LEU A 45 3.356 4.459 2.351 1.00 0.86 H new ATOM 0 HD22 LEU A 45 5.002 3.835 2.083 1.00 0.86 H new ATOM 0 HD23 LEU A 45 4.618 5.529 1.694 1.00 0.86 H new ATOM 670 N MET A 46 4.130 5.603 -3.345 1.00 0.35 N ATOM 671 CA MET A 46 3.198 6.411 -4.142 1.00 0.39 C ATOM 672 C MET A 46 2.715 5.620 -5.320 1.00 0.41 C ATOM 673 O MET A 46 1.533 5.630 -5.638 1.00 0.46 O ATOM 674 CB MET A 46 3.873 7.673 -4.688 1.00 0.46 C ATOM 675 CG MET A 46 4.319 8.677 -3.660 1.00 0.50 C ATOM 676 SD MET A 46 2.962 9.353 -2.696 1.00 0.85 S ATOM 677 CE MET A 46 1.976 10.096 -3.987 1.00 1.73 C ATOM 0 H MET A 46 5.061 6.013 -3.265 1.00 0.35 H new ATOM 0 HA MET A 46 2.374 6.689 -3.485 1.00 0.39 H new ATOM 0 HB2 MET A 46 4.741 7.372 -5.275 1.00 0.46 H new ATOM 0 HB3 MET A 46 3.181 8.165 -5.372 1.00 0.46 H new ATOM 0 HG2 MET A 46 5.035 8.205 -2.987 1.00 0.50 H new ATOM 0 HG3 MET A 46 4.842 9.492 -4.160 1.00 0.50 H new ATOM 0 HE1 MET A 46 1.793 11.144 -3.748 1.00 1.73 H new ATOM 0 HE2 MET A 46 2.508 10.028 -4.936 1.00 1.73 H new ATOM 0 HE3 MET A 46 1.024 9.570 -4.066 1.00 1.73 H new ATOM 687 N GLU A 47 3.646 4.937 -5.957 1.00 0.40 N ATOM 688 CA GLU A 47 3.375 4.129 -7.122 1.00 0.44 C ATOM 689 C GLU A 47 2.401 3.010 -6.717 1.00 0.42 C ATOM 690 O GLU A 47 1.314 2.891 -7.301 1.00 0.50 O ATOM 691 CB GLU A 47 4.722 3.606 -7.655 1.00 0.49 C ATOM 692 CG GLU A 47 4.770 3.193 -9.139 1.00 0.71 C ATOM 693 CD GLU A 47 4.086 1.872 -9.491 1.00 0.88 C ATOM 694 OE1 GLU A 47 2.844 1.809 -9.586 1.00 1.43 O ATOM 695 OE2 GLU A 47 4.798 0.887 -9.767 1.00 1.63 O ATOM 0 H GLU A 47 4.626 4.930 -5.673 1.00 0.40 H new ATOM 0 HA GLU A 47 2.899 4.692 -7.925 1.00 0.44 H new ATOM 0 HB2 GLU A 47 5.474 4.378 -7.493 1.00 0.49 H new ATOM 0 HB3 GLU A 47 5.014 2.745 -7.053 1.00 0.49 H new ATOM 0 HG2 GLU A 47 4.312 3.985 -9.731 1.00 0.71 H new ATOM 0 HG3 GLU A 47 5.814 3.131 -9.444 1.00 0.71 H new ATOM 702 N THR A 48 2.760 2.270 -5.664 1.00 0.38 N ATOM 703 CA THR A 48 1.921 1.221 -5.092 1.00 0.38 C ATOM 704 C THR A 48 0.508 1.768 -4.746 1.00 0.37 C ATOM 705 O THR A 48 -0.515 1.196 -5.170 1.00 0.41 O ATOM 706 CB THR A 48 2.599 0.669 -3.813 1.00 0.39 C ATOM 707 OG1 THR A 48 3.906 0.181 -4.147 1.00 0.47 O ATOM 708 CG2 THR A 48 1.782 -0.465 -3.207 1.00 0.42 C ATOM 0 H THR A 48 3.651 2.386 -5.182 1.00 0.38 H new ATOM 0 HA THR A 48 1.806 0.423 -5.825 1.00 0.38 H new ATOM 0 HB THR A 48 2.669 1.475 -3.082 1.00 0.39 H new ATOM 0 HG1 THR A 48 4.526 0.936 -4.230 1.00 0.47 H new ATOM 0 HG21 THR A 48 2.281 -0.834 -2.311 1.00 0.42 H new ATOM 0 HG22 THR A 48 0.789 -0.099 -2.945 1.00 0.42 H new ATOM 0 HG23 THR A 48 1.691 -1.275 -3.931 1.00 0.42 H new ATOM 716 N ALA A 49 0.469 2.866 -3.989 1.00 0.35 N ATOM 717 CA ALA A 49 -0.775 3.495 -3.572 1.00 0.38 C ATOM 718 C ALA A 49 -1.624 3.877 -4.771 1.00 0.40 C ATOM 719 O ALA A 49 -2.728 3.379 -4.915 1.00 0.42 O ATOM 720 CB ALA A 49 -0.500 4.718 -2.706 1.00 0.42 C ATOM 0 H ALA A 49 1.305 3.342 -3.649 1.00 0.35 H new ATOM 0 HA ALA A 49 -1.331 2.769 -2.979 1.00 0.38 H new ATOM 0 HB1 ALA A 49 -1.445 5.172 -2.406 1.00 0.42 H new ATOM 0 HB2 ALA A 49 0.056 4.417 -1.818 1.00 0.42 H new ATOM 0 HB3 ALA A 49 0.086 5.441 -3.273 1.00 0.42 H new ATOM 726 N ALA A 50 -1.060 4.694 -5.665 1.00 0.43 N ATOM 727 CA ALA A 50 -1.766 5.196 -6.856 1.00 0.48 C ATOM 728 C ALA A 50 -2.294 4.059 -7.712 1.00 0.47 C ATOM 729 O ALA A 50 -3.400 4.144 -8.287 1.00 0.51 O ATOM 730 CB ALA A 50 -0.844 6.076 -7.683 1.00 0.58 C ATOM 0 H ALA A 50 -0.100 5.029 -5.587 1.00 0.43 H new ATOM 0 HA ALA A 50 -2.616 5.784 -6.511 1.00 0.48 H new ATOM 0 HB1 ALA A 50 -1.379 6.440 -8.560 1.00 0.58 H new ATOM 0 HB2 ALA A 50 -0.514 6.923 -7.082 1.00 0.58 H new ATOM 0 HB3 ALA A 50 0.023 5.497 -8.001 1.00 0.58 H new ATOM 736 N ARG A 51 -1.509 2.991 -7.774 1.00 0.46 N ATOM 737 CA ARG A 51 -1.857 1.788 -8.502 1.00 0.51 C ATOM 738 C ARG A 51 -3.160 1.221 -7.948 1.00 0.49 C ATOM 739 O ARG A 51 -4.134 1.051 -8.683 1.00 0.62 O ATOM 740 CB ARG A 51 -0.724 0.753 -8.370 1.00 0.57 C ATOM 741 CG ARG A 51 -0.954 -0.550 -9.108 1.00 0.79 C ATOM 742 CD ARG A 51 0.137 -1.576 -8.800 1.00 0.80 C ATOM 743 NE ARG A 51 1.491 -1.131 -9.184 1.00 1.38 N ATOM 744 CZ ARG A 51 2.436 -1.935 -9.702 1.00 1.81 C ATOM 745 NH1 ARG A 51 2.165 -3.201 -9.965 1.00 1.82 N ATOM 746 NH2 ARG A 51 3.640 -1.467 -9.960 1.00 2.77 N ATOM 0 H ARG A 51 -0.601 2.940 -7.312 1.00 0.46 H new ATOM 0 HA ARG A 51 -1.992 2.025 -9.557 1.00 0.51 H new ATOM 0 HB2 ARG A 51 0.200 1.201 -8.735 1.00 0.57 H new ATOM 0 HB3 ARG A 51 -0.576 0.532 -7.313 1.00 0.57 H new ATOM 0 HG2 ARG A 51 -1.926 -0.958 -8.831 1.00 0.79 H new ATOM 0 HG3 ARG A 51 -0.982 -0.360 -10.181 1.00 0.79 H new ATOM 0 HD2 ARG A 51 0.125 -1.797 -7.733 1.00 0.80 H new ATOM 0 HD3 ARG A 51 -0.092 -2.506 -9.321 1.00 0.80 H new ATOM 0 HE ARG A 51 1.725 -0.148 -9.047 1.00 1.38 H new ATOM 0 HH11 ARG A 51 1.235 -3.573 -9.775 1.00 1.82 H new ATOM 0 HH12 ARG A 51 2.886 -3.806 -10.358 1.00 1.82 H new ATOM 0 HH21 ARG A 51 3.860 -0.490 -9.767 1.00 2.77 H new ATOM 0 HH22 ARG A 51 4.353 -2.082 -10.353 1.00 2.77 H new ATOM 760 N LEU A 52 -3.183 0.985 -6.648 1.00 0.41 N ATOM 761 CA LEU A 52 -4.349 0.429 -5.983 1.00 0.40 C ATOM 762 C LEU A 52 -5.513 1.416 -5.959 1.00 0.37 C ATOM 763 O LEU A 52 -6.673 1.011 -6.145 1.00 0.41 O ATOM 764 CB LEU A 52 -3.999 -0.030 -4.568 1.00 0.39 C ATOM 765 CG LEU A 52 -2.983 -1.170 -4.471 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.660 -1.471 -3.021 1.00 0.49 C ATOM 767 CD2 LEU A 52 -3.515 -2.418 -5.166 1.00 0.56 C ATOM 0 H LEU A 52 -2.397 1.172 -6.025 1.00 0.41 H new ATOM 0 HA LEU A 52 -4.669 -0.439 -6.559 1.00 0.40 H new ATOM 0 HB2 LEU A 52 -3.612 0.825 -4.014 1.00 0.39 H new ATOM 0 HB3 LEU A 52 -4.917 -0.343 -4.070 1.00 0.39 H new ATOM 0 HG LEU A 52 -2.067 -0.858 -4.972 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.936 -2.284 -2.971 1.00 0.49 H new ATOM 0 HD12 LEU A 52 -2.241 -0.582 -2.550 1.00 0.49 H new ATOM 0 HD13 LEU A 52 -3.571 -1.763 -2.498 1.00 0.49 H new ATOM 0 HD21 LEU A 52 -2.780 -3.219 -5.088 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -4.445 -2.731 -4.691 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -3.701 -2.198 -6.217 1.00 0.56 H new ATOM 779 N GLU A 53 -5.205 2.707 -5.767 1.00 0.37 N ATOM 780 CA GLU A 53 -6.228 3.743 -5.729 1.00 0.38 C ATOM 781 C GLU A 53 -7.033 3.760 -6.999 1.00 0.40 C ATOM 782 O GLU A 53 -8.253 3.723 -6.959 1.00 0.44 O ATOM 783 CB GLU A 53 -5.680 5.147 -5.553 1.00 0.46 C ATOM 784 CG GLU A 53 -4.913 5.476 -4.297 1.00 0.64 C ATOM 785 CD GLU A 53 -4.489 6.929 -4.337 1.00 1.43 C ATOM 786 OE1 GLU A 53 -5.305 7.816 -4.050 1.00 1.52 O ATOM 787 OE2 GLU A 53 -3.291 7.197 -4.584 1.00 2.19 O ATOM 0 H GLU A 53 -4.254 3.051 -5.636 1.00 0.37 H new ATOM 0 HA GLU A 53 -6.835 3.484 -4.862 1.00 0.38 H new ATOM 0 HB2 GLU A 53 -5.028 5.356 -6.402 1.00 0.46 H new ATOM 0 HB3 GLU A 53 -6.519 5.839 -5.618 1.00 0.46 H new ATOM 0 HG2 GLU A 53 -5.532 5.290 -3.420 1.00 0.64 H new ATOM 0 HG3 GLU A 53 -4.038 4.832 -4.212 1.00 0.64 H new ATOM 794 N SER A 54 -6.348 3.793 -8.117 1.00 0.44 N ATOM 795 CA SER A 54 -6.997 3.913 -9.399 1.00 0.51 C ATOM 796 C SER A 54 -7.635 2.587 -9.817 1.00 0.51 C ATOM 797 O SER A 54 -8.644 2.566 -10.512 1.00 0.58 O ATOM 798 CB SER A 54 -5.975 4.381 -10.429 1.00 0.61 C ATOM 799 OG SER A 54 -5.251 5.509 -9.929 1.00 1.18 O ATOM 0 H SER A 54 -5.331 3.738 -8.163 1.00 0.44 H new ATOM 0 HA SER A 54 -7.800 4.647 -9.331 1.00 0.51 H new ATOM 0 HB2 SER A 54 -5.284 3.570 -10.661 1.00 0.61 H new ATOM 0 HB3 SER A 54 -6.479 4.646 -11.358 1.00 0.61 H new ATOM 0 HG SER A 54 -4.547 5.202 -9.320 1.00 1.18 H new ATOM 805 N ARG A 55 -7.063 1.488 -9.349 1.00 0.49 N ATOM 806 CA ARG A 55 -7.542 0.162 -9.705 1.00 0.53 C ATOM 807 C ARG A 55 -8.876 -0.162 -9.016 1.00 0.54 C ATOM 808 O ARG A 55 -9.733 -0.838 -9.587 1.00 0.67 O ATOM 809 CB ARG A 55 -6.484 -0.891 -9.358 1.00 0.60 C ATOM 810 CG ARG A 55 -6.826 -2.297 -9.802 1.00 0.76 C ATOM 811 CD ARG A 55 -5.733 -3.275 -9.417 1.00 0.93 C ATOM 812 NE ARG A 55 -6.068 -4.642 -9.819 1.00 1.46 N ATOM 813 CZ ARG A 55 -5.975 -5.719 -9.026 1.00 2.05 C ATOM 814 NH1 ARG A 55 -5.515 -5.592 -7.781 1.00 2.15 N ATOM 815 NH2 ARG A 55 -6.315 -6.914 -9.492 1.00 2.93 N ATOM 0 H ARG A 55 -6.262 1.489 -8.718 1.00 0.49 H new ATOM 0 HA ARG A 55 -7.719 0.146 -10.780 1.00 0.53 H new ATOM 0 HB2 ARG A 55 -5.538 -0.600 -9.814 1.00 0.60 H new ATOM 0 HB3 ARG A 55 -6.331 -0.892 -8.279 1.00 0.60 H new ATOM 0 HG2 ARG A 55 -7.769 -2.605 -9.350 1.00 0.76 H new ATOM 0 HG3 ARG A 55 -6.970 -2.315 -10.882 1.00 0.76 H new ATOM 0 HD2 ARG A 55 -4.795 -2.977 -9.886 1.00 0.93 H new ATOM 0 HD3 ARG A 55 -5.576 -3.240 -8.339 1.00 0.93 H new ATOM 0 HE ARG A 55 -6.397 -4.786 -10.774 1.00 1.46 H new ATOM 0 HH11 ARG A 55 -5.234 -4.676 -7.432 1.00 2.15 H new ATOM 0 HH12 ARG A 55 -5.444 -6.411 -7.177 1.00 2.15 H new ATOM 0 HH21 ARG A 55 -6.646 -7.012 -10.452 1.00 2.93 H new ATOM 0 HH22 ARG A 55 -6.245 -7.735 -8.890 1.00 2.93 H new ATOM 829 N TYR A 56 -9.048 0.298 -7.794 1.00 0.51 N ATOM 830 CA TYR A 56 -10.278 0.012 -7.071 1.00 0.59 C ATOM 831 C TYR A 56 -11.186 1.217 -6.922 1.00 0.64 C ATOM 832 O TYR A 56 -12.394 1.064 -6.741 1.00 0.81 O ATOM 833 CB TYR A 56 -10.000 -0.662 -5.733 1.00 0.66 C ATOM 834 CG TYR A 56 -9.507 -2.078 -5.888 1.00 0.71 C ATOM 835 CD1 TYR A 56 -8.160 -2.359 -6.077 1.00 0.71 C ATOM 836 CD2 TYR A 56 -10.401 -3.139 -5.864 1.00 0.89 C ATOM 837 CE1 TYR A 56 -7.722 -3.657 -6.230 1.00 0.82 C ATOM 838 CE2 TYR A 56 -9.970 -4.440 -6.016 1.00 0.99 C ATOM 839 CZ TYR A 56 -8.631 -4.694 -6.198 1.00 0.95 C ATOM 840 OH TYR A 56 -8.200 -5.999 -6.354 1.00 1.09 O ATOM 0 H TYR A 56 -8.368 0.862 -7.285 1.00 0.51 H new ATOM 0 HA TYR A 56 -10.831 -0.696 -7.689 1.00 0.59 H new ATOM 0 HB2 TYR A 56 -9.258 -0.081 -5.185 1.00 0.66 H new ATOM 0 HB3 TYR A 56 -10.911 -0.662 -5.134 1.00 0.66 H new ATOM 0 HD1 TYR A 56 -7.446 -1.549 -6.104 1.00 0.71 H new ATOM 0 HD2 TYR A 56 -11.454 -2.942 -5.724 1.00 0.89 H new ATOM 0 HE1 TYR A 56 -6.671 -3.861 -6.374 1.00 0.82 H new ATOM 0 HE2 TYR A 56 -10.679 -5.254 -5.992 1.00 0.99 H new ATOM 0 HH TYR A 56 -8.968 -6.605 -6.305 1.00 1.09 H new ATOM 850 N GLY A 57 -10.626 2.395 -7.007 1.00 0.59 N ATOM 851 CA GLY A 57 -11.424 3.587 -6.939 1.00 0.67 C ATOM 852 C GLY A 57 -11.439 4.224 -5.568 1.00 0.66 C ATOM 853 O GLY A 57 -12.499 4.357 -4.962 1.00 0.88 O ATOM 0 H GLY A 57 -9.625 2.553 -7.123 1.00 0.59 H new ATOM 0 HA2 GLY A 57 -11.047 4.309 -7.663 1.00 0.67 H new ATOM 0 HA3 GLY A 57 -12.446 3.348 -7.231 1.00 0.67 H new ATOM 857 N VAL A 58 -10.268 4.589 -5.069 1.00 0.49 N ATOM 858 CA VAL A 58 -10.152 5.315 -3.801 1.00 0.47 C ATOM 859 C VAL A 58 -9.327 6.560 -3.997 1.00 0.44 C ATOM 860 O VAL A 58 -8.784 6.768 -5.083 1.00 0.46 O ATOM 861 CB VAL A 58 -9.568 4.496 -2.607 1.00 0.51 C ATOM 862 CG1 VAL A 58 -10.424 3.321 -2.309 1.00 0.68 C ATOM 863 CG2 VAL A 58 -8.155 4.037 -2.867 1.00 0.64 C ATOM 0 H VAL A 58 -9.375 4.395 -5.522 1.00 0.49 H new ATOM 0 HA VAL A 58 -11.179 5.551 -3.520 1.00 0.47 H new ATOM 0 HB VAL A 58 -9.552 5.164 -1.746 1.00 0.51 H new ATOM 0 HG11 VAL A 58 -9.999 2.764 -1.474 1.00 0.68 H new ATOM 0 HG12 VAL A 58 -11.427 3.658 -2.047 1.00 0.68 H new ATOM 0 HG13 VAL A 58 -10.475 2.676 -3.186 1.00 0.68 H new ATOM 0 HG21 VAL A 58 -7.792 3.472 -2.008 1.00 0.64 H new ATOM 0 HG22 VAL A 58 -8.136 3.403 -3.753 1.00 0.64 H new ATOM 0 HG23 VAL A 58 -7.514 4.904 -3.027 1.00 0.64 H new ATOM 873 N SER A 59 -9.210 7.363 -2.965 1.00 0.46 N ATOM 874 CA SER A 59 -8.458 8.587 -3.041 1.00 0.54 C ATOM 875 C SER A 59 -7.663 8.792 -1.738 1.00 0.51 C ATOM 876 O SER A 59 -8.251 8.966 -0.662 1.00 0.66 O ATOM 877 CB SER A 59 -9.427 9.756 -3.272 1.00 0.73 C ATOM 878 OG SER A 59 -10.331 9.469 -4.355 1.00 1.33 O ATOM 0 H SER A 59 -9.633 7.184 -2.054 1.00 0.46 H new ATOM 0 HA SER A 59 -7.752 8.539 -3.870 1.00 0.54 H new ATOM 0 HB2 SER A 59 -9.994 9.949 -2.361 1.00 0.73 H new ATOM 0 HB3 SER A 59 -8.863 10.662 -3.494 1.00 0.73 H new ATOM 0 HG SER A 59 -10.939 10.227 -4.483 1.00 1.33 H new ATOM 884 N ILE A 60 -6.359 8.688 -1.834 1.00 0.47 N ATOM 885 CA ILE A 60 -5.445 8.902 -0.729 1.00 0.44 C ATOM 886 C ILE A 60 -4.473 10.021 -1.119 1.00 0.35 C ATOM 887 O ILE A 60 -3.726 9.882 -2.084 1.00 0.37 O ATOM 888 CB ILE A 60 -4.652 7.590 -0.375 1.00 0.52 C ATOM 889 CG1 ILE A 60 -5.636 6.489 0.075 1.00 0.73 C ATOM 890 CG2 ILE A 60 -3.582 7.844 0.709 1.00 0.50 C ATOM 891 CD1 ILE A 60 -4.993 5.155 0.392 1.00 0.61 C ATOM 0 H ILE A 60 -5.888 8.446 -2.706 1.00 0.47 H new ATOM 0 HA ILE A 60 -6.014 9.183 0.157 1.00 0.44 H new ATOM 0 HB ILE A 60 -4.129 7.257 -1.271 1.00 0.52 H new ATOM 0 HG12 ILE A 60 -6.171 6.838 0.958 1.00 0.73 H new ATOM 0 HG13 ILE A 60 -6.378 6.342 -0.709 1.00 0.73 H new ATOM 0 HG21 ILE A 60 -3.056 6.914 0.926 1.00 0.50 H new ATOM 0 HG22 ILE A 60 -2.871 8.588 0.351 1.00 0.50 H new ATOM 0 HG23 ILE A 60 -4.063 8.209 1.616 1.00 0.50 H new ATOM 0 HD11 ILE A 60 -5.761 4.445 0.699 1.00 0.61 H new ATOM 0 HD12 ILE A 60 -4.483 4.777 -0.494 1.00 0.61 H new ATOM 0 HD13 ILE A 60 -4.272 5.281 1.200 1.00 0.61 H new ATOM 903 N PRO A 61 -4.506 11.158 -0.393 1.00 0.38 N ATOM 904 CA PRO A 61 -3.659 12.337 -0.681 1.00 0.40 C ATOM 905 C PRO A 61 -2.165 11.996 -0.772 1.00 0.34 C ATOM 906 O PRO A 61 -1.663 11.190 0.010 1.00 0.30 O ATOM 907 CB PRO A 61 -3.924 13.249 0.510 1.00 0.52 C ATOM 908 CG PRO A 61 -5.284 12.871 0.969 1.00 0.57 C ATOM 909 CD PRO A 61 -5.382 11.393 0.768 1.00 0.50 C ATOM 0 HA PRO A 61 -3.898 12.780 -1.648 1.00 0.40 H new ATOM 0 HB2 PRO A 61 -3.184 13.101 1.296 1.00 0.52 H new ATOM 0 HB3 PRO A 61 -3.879 14.300 0.224 1.00 0.52 H new ATOM 0 HG2 PRO A 61 -5.431 13.134 2.016 1.00 0.57 H new ATOM 0 HG3 PRO A 61 -6.050 13.396 0.398 1.00 0.57 H new ATOM 0 HD2 PRO A 61 -5.044 10.843 1.646 1.00 0.50 H new ATOM 0 HD3 PRO A 61 -6.407 11.080 0.570 1.00 0.50 H new ATOM 917 N ASP A 62 -1.476 12.653 -1.702 1.00 0.43 N ATOM 918 CA ASP A 62 -0.048 12.403 -2.044 1.00 0.48 C ATOM 919 C ASP A 62 0.866 12.323 -0.842 1.00 0.43 C ATOM 920 O ASP A 62 1.461 11.287 -0.573 1.00 0.47 O ATOM 921 CB ASP A 62 0.507 13.473 -3.004 1.00 0.71 C ATOM 922 CG ASP A 62 -0.077 13.414 -4.390 1.00 1.29 C ATOM 923 OD1 ASP A 62 -1.120 14.036 -4.636 1.00 1.64 O ATOM 924 OD2 ASP A 62 0.492 12.720 -5.254 1.00 2.10 O ATOM 0 H ASP A 62 -1.892 13.397 -2.262 1.00 0.43 H new ATOM 0 HA ASP A 62 -0.055 11.427 -2.528 1.00 0.48 H new ATOM 0 HB2 ASP A 62 0.316 14.460 -2.582 1.00 0.71 H new ATOM 0 HB3 ASP A 62 1.589 13.360 -3.072 1.00 0.71 H new ATOM 929 N ASP A 63 0.956 13.394 -0.092 1.00 0.46 N ATOM 930 CA ASP A 63 1.888 13.424 1.035 1.00 0.55 C ATOM 931 C ASP A 63 1.410 12.569 2.196 1.00 0.46 C ATOM 932 O ASP A 63 2.173 12.261 3.096 1.00 0.52 O ATOM 933 CB ASP A 63 2.225 14.849 1.498 1.00 0.78 C ATOM 934 CG ASP A 63 1.041 15.616 2.010 1.00 1.38 C ATOM 935 OD1 ASP A 63 0.710 15.501 3.208 1.00 2.18 O ATOM 936 OD2 ASP A 63 0.430 16.377 1.224 1.00 1.57 O ATOM 0 H ASP A 63 0.412 14.246 -0.228 1.00 0.46 H new ATOM 0 HA ASP A 63 2.815 12.988 0.661 1.00 0.55 H new ATOM 0 HB2 ASP A 63 2.979 14.797 2.283 1.00 0.78 H new ATOM 0 HB3 ASP A 63 2.668 15.396 0.666 1.00 0.78 H new ATOM 941 N VAL A 64 0.159 12.176 2.171 1.00 0.42 N ATOM 942 CA VAL A 64 -0.372 11.284 3.187 1.00 0.43 C ATOM 943 C VAL A 64 0.007 9.853 2.808 1.00 0.38 C ATOM 944 O VAL A 64 0.404 9.063 3.654 1.00 0.47 O ATOM 945 CB VAL A 64 -1.914 11.431 3.332 1.00 0.51 C ATOM 946 CG1 VAL A 64 -2.470 10.462 4.372 1.00 0.60 C ATOM 947 CG2 VAL A 64 -2.270 12.861 3.708 1.00 0.58 C ATOM 0 H VAL A 64 -0.515 12.457 1.459 1.00 0.42 H new ATOM 0 HA VAL A 64 0.056 11.542 4.156 1.00 0.43 H new ATOM 0 HB VAL A 64 -2.366 11.188 2.370 1.00 0.51 H new ATOM 0 HG11 VAL A 64 -3.550 10.591 4.449 1.00 0.60 H new ATOM 0 HG12 VAL A 64 -2.247 9.438 4.071 1.00 0.60 H new ATOM 0 HG13 VAL A 64 -2.011 10.664 5.340 1.00 0.60 H new ATOM 0 HG21 VAL A 64 -3.352 12.953 3.807 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -1.796 13.117 4.656 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -1.918 13.540 2.931 1.00 0.58 H new ATOM 957 N ALA A 65 -0.086 9.551 1.514 1.00 0.31 N ATOM 958 CA ALA A 65 0.332 8.263 0.966 1.00 0.35 C ATOM 959 C ALA A 65 1.810 8.070 1.213 1.00 0.43 C ATOM 960 O ALA A 65 2.258 6.992 1.524 1.00 0.53 O ATOM 961 CB ALA A 65 0.062 8.204 -0.529 1.00 0.40 C ATOM 0 H ALA A 65 -0.455 10.195 0.814 1.00 0.31 H new ATOM 0 HA ALA A 65 -0.236 7.473 1.457 1.00 0.35 H new ATOM 0 HB1 ALA A 65 0.380 7.237 -0.918 1.00 0.40 H new ATOM 0 HB2 ALA A 65 -1.005 8.336 -0.712 1.00 0.40 H new ATOM 0 HB3 ALA A 65 0.616 8.997 -1.030 1.00 0.40 H new ATOM 967 N GLY A 66 2.551 9.150 1.098 1.00 0.48 N ATOM 968 CA GLY A 66 3.964 9.113 1.365 1.00 0.61 C ATOM 969 C GLY A 66 4.284 9.038 2.856 1.00 0.63 C ATOM 970 O GLY A 66 5.433 8.896 3.235 1.00 0.88 O ATOM 0 H GLY A 66 2.194 10.064 0.821 1.00 0.48 H new ATOM 0 HA2 GLY A 66 4.402 8.252 0.861 1.00 0.61 H new ATOM 0 HA3 GLY A 66 4.432 10.002 0.942 1.00 0.61 H new ATOM 974 N ARG A 67 3.270 9.134 3.703 1.00 0.56 N ATOM 975 CA ARG A 67 3.480 9.094 5.142 1.00 0.63 C ATOM 976 C ARG A 67 2.752 7.944 5.821 1.00 0.51 C ATOM 977 O ARG A 67 2.689 7.900 7.053 1.00 0.69 O ATOM 978 CB ARG A 67 3.139 10.433 5.821 1.00 0.84 C ATOM 979 CG ARG A 67 4.130 11.551 5.519 1.00 1.49 C ATOM 980 CD ARG A 67 5.540 11.174 5.956 1.00 2.24 C ATOM 981 NE ARG A 67 5.632 10.964 7.412 1.00 2.85 N ATOM 982 CZ ARG A 67 6.283 9.941 8.021 1.00 3.81 C ATOM 983 NH1 ARG A 67 7.010 9.074 7.317 1.00 4.32 N ATOM 984 NH2 ARG A 67 6.233 9.823 9.343 1.00 4.63 N ATOM 0 H ARG A 67 2.296 9.240 3.419 1.00 0.56 H new ATOM 0 HA ARG A 67 4.548 8.916 5.271 1.00 0.63 H new ATOM 0 HB2 ARG A 67 2.145 10.747 5.503 1.00 0.84 H new ATOM 0 HB3 ARG A 67 3.096 10.281 6.900 1.00 0.84 H new ATOM 0 HG2 ARG A 67 4.124 11.767 4.451 1.00 1.49 H new ATOM 0 HG3 ARG A 67 3.820 12.462 6.030 1.00 1.49 H new ATOM 0 HD2 ARG A 67 5.848 10.265 5.439 1.00 2.24 H new ATOM 0 HD3 ARG A 67 6.234 11.961 5.659 1.00 2.24 H new ATOM 0 HE ARG A 67 5.167 11.645 8.012 1.00 2.85 H new ATOM 0 HH11 ARG A 67 7.083 9.174 6.305 1.00 4.32 H new ATOM 0 HH12 ARG A 67 7.493 8.311 7.791 1.00 4.32 H new ATOM 0 HH21 ARG A 67 5.707 10.500 9.896 1.00 4.63 H new ATOM 0 HH22 ARG A 67 6.721 9.056 9.805 1.00 4.63 H new ATOM 998 N VAL A 68 2.214 7.014 5.046 1.00 0.39 N ATOM 999 CA VAL A 68 1.613 5.823 5.634 1.00 0.37 C ATOM 1000 C VAL A 68 2.721 4.835 5.986 1.00 0.38 C ATOM 1001 O VAL A 68 3.132 4.018 5.190 1.00 0.58 O ATOM 1002 CB VAL A 68 0.478 5.183 4.759 1.00 0.40 C ATOM 1003 CG1 VAL A 68 -0.734 6.085 4.758 1.00 0.50 C ATOM 1004 CG2 VAL A 68 0.908 4.927 3.325 1.00 0.42 C ATOM 0 H VAL A 68 2.180 7.057 4.027 1.00 0.39 H new ATOM 0 HA VAL A 68 1.095 6.121 6.545 1.00 0.37 H new ATOM 0 HB VAL A 68 0.242 4.217 5.206 1.00 0.40 H new ATOM 0 HG11 VAL A 68 -1.520 5.638 4.150 1.00 0.50 H new ATOM 0 HG12 VAL A 68 -1.094 6.212 5.779 1.00 0.50 H new ATOM 0 HG13 VAL A 68 -0.464 7.057 4.345 1.00 0.50 H new ATOM 0 HG21 VAL A 68 0.081 4.484 2.771 1.00 0.42 H new ATOM 0 HG22 VAL A 68 1.195 5.869 2.858 1.00 0.42 H new ATOM 0 HG23 VAL A 68 1.757 4.244 3.316 1.00 0.42 H new ATOM 1014 N ASP A 69 3.248 5.037 7.184 1.00 0.43 N ATOM 1015 CA ASP A 69 4.434 4.359 7.748 1.00 0.52 C ATOM 1016 C ASP A 69 4.419 2.826 7.595 1.00 0.35 C ATOM 1017 O ASP A 69 5.481 2.195 7.444 1.00 0.33 O ATOM 1018 CB ASP A 69 4.545 4.741 9.227 1.00 0.81 C ATOM 1019 CG ASP A 69 5.838 4.338 9.876 1.00 1.27 C ATOM 1020 OD1 ASP A 69 6.849 5.056 9.725 1.00 1.49 O ATOM 1021 OD2 ASP A 69 5.884 3.259 10.506 1.00 2.03 O ATOM 0 H ASP A 69 2.847 5.713 7.834 1.00 0.43 H new ATOM 0 HA ASP A 69 5.301 4.695 7.180 1.00 0.52 H new ATOM 0 HB2 ASP A 69 4.426 5.820 9.321 1.00 0.81 H new ATOM 0 HB3 ASP A 69 3.720 4.281 9.771 1.00 0.81 H new ATOM 1026 N THR A 70 3.249 2.238 7.627 1.00 0.32 N ATOM 1027 CA THR A 70 3.111 0.808 7.504 1.00 0.27 C ATOM 1028 C THR A 70 2.112 0.462 6.402 1.00 0.25 C ATOM 1029 O THR A 70 1.217 1.274 6.087 1.00 0.28 O ATOM 1030 CB THR A 70 2.609 0.202 8.831 1.00 0.35 C ATOM 1031 OG1 THR A 70 1.401 0.871 9.238 1.00 0.46 O ATOM 1032 CG2 THR A 70 3.651 0.327 9.914 1.00 0.41 C ATOM 0 H THR A 70 2.366 2.736 7.739 1.00 0.32 H new ATOM 0 HA THR A 70 4.089 0.396 7.256 1.00 0.27 H new ATOM 0 HB THR A 70 2.409 -0.858 8.672 1.00 0.35 H new ATOM 0 HG1 THR A 70 1.177 0.612 10.156 1.00 0.46 H new ATOM 0 HG21 THR A 70 3.270 -0.108 10.838 1.00 0.41 H new ATOM 0 HG22 THR A 70 4.556 -0.200 9.611 1.00 0.41 H new ATOM 0 HG23 THR A 70 3.882 1.380 10.077 1.00 0.41 H new ATOM 1040 N PRO A 71 2.238 -0.744 5.782 1.00 0.26 N ATOM 1041 CA PRO A 71 1.266 -1.234 4.797 1.00 0.27 C ATOM 1042 C PRO A 71 -0.115 -1.338 5.431 1.00 0.25 C ATOM 1043 O PRO A 71 -1.133 -1.277 4.743 1.00 0.27 O ATOM 1044 CB PRO A 71 1.788 -2.629 4.433 1.00 0.33 C ATOM 1045 CG PRO A 71 3.236 -2.577 4.749 1.00 0.37 C ATOM 1046 CD PRO A 71 3.356 -1.691 5.951 1.00 0.31 C ATOM 0 HA PRO A 71 1.168 -0.578 3.932 1.00 0.27 H new ATOM 0 HB2 PRO A 71 1.283 -3.405 5.009 1.00 0.33 H new ATOM 0 HB3 PRO A 71 1.619 -2.854 3.380 1.00 0.33 H new ATOM 0 HG2 PRO A 71 3.628 -3.573 4.956 1.00 0.37 H new ATOM 0 HG3 PRO A 71 3.806 -2.178 3.910 1.00 0.37 H new ATOM 0 HD2 PRO A 71 3.269 -2.256 6.879 1.00 0.31 H new ATOM 0 HD3 PRO A 71 4.318 -1.178 5.980 1.00 0.31 H new ATOM 1054 N ARG A 72 -0.119 -1.484 6.766 1.00 0.24 N ATOM 1055 CA ARG A 72 -1.317 -1.490 7.576 1.00 0.28 C ATOM 1056 C ARG A 72 -2.112 -0.232 7.296 1.00 0.27 C ATOM 1057 O ARG A 72 -3.262 -0.306 6.938 1.00 0.34 O ATOM 1058 CB ARG A 72 -0.943 -1.522 9.069 1.00 0.39 C ATOM 1059 CG ARG A 72 -2.124 -1.489 10.022 1.00 0.80 C ATOM 1060 CD ARG A 72 -2.950 -2.753 9.951 1.00 1.03 C ATOM 1061 NE ARG A 72 -2.213 -3.904 10.476 1.00 1.35 N ATOM 1062 CZ ARG A 72 -2.657 -5.156 10.497 1.00 2.07 C ATOM 1063 NH1 ARG A 72 -3.863 -5.454 10.007 1.00 2.71 N ATOM 1064 NH2 ARG A 72 -1.898 -6.103 11.023 1.00 2.59 N ATOM 0 H ARG A 72 0.736 -1.603 7.310 1.00 0.24 H new ATOM 0 HA ARG A 72 -1.909 -2.372 7.332 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -0.362 -2.423 9.264 1.00 0.39 H new ATOM 0 HB3 ARG A 72 -0.296 -0.672 9.285 1.00 0.39 H new ATOM 0 HG2 ARG A 72 -1.763 -1.350 11.041 1.00 0.80 H new ATOM 0 HG3 ARG A 72 -2.754 -0.631 9.787 1.00 0.80 H new ATOM 0 HD2 ARG A 72 -3.871 -2.620 10.518 1.00 1.03 H new ATOM 0 HD3 ARG A 72 -3.237 -2.944 8.917 1.00 1.03 H new ATOM 0 HE ARG A 72 -1.283 -3.730 10.857 1.00 1.35 H new ATOM 0 HH11 ARG A 72 -4.450 -4.718 9.613 1.00 2.71 H new ATOM 0 HH12 ARG A 72 -4.198 -6.417 10.026 1.00 2.71 H new ATOM 0 HH21 ARG A 72 -0.983 -5.868 11.407 1.00 2.59 H new ATOM 0 HH22 ARG A 72 -2.228 -7.068 11.045 1.00 2.59 H new ATOM 1078 N GLU A 73 -1.449 0.911 7.412 1.00 0.24 N ATOM 1079 CA GLU A 73 -2.083 2.204 7.221 1.00 0.28 C ATOM 1080 C GLU A 73 -2.614 2.380 5.799 1.00 0.25 C ATOM 1081 O GLU A 73 -3.733 2.837 5.615 1.00 0.26 O ATOM 1082 CB GLU A 73 -1.128 3.339 7.588 1.00 0.34 C ATOM 1083 CG GLU A 73 -0.672 3.319 9.034 1.00 0.46 C ATOM 1084 CD GLU A 73 -1.829 3.314 10.007 1.00 1.12 C ATOM 1085 OE1 GLU A 73 -2.503 4.356 10.163 1.00 1.36 O ATOM 1086 OE2 GLU A 73 -2.091 2.266 10.624 1.00 1.97 O ATOM 0 H GLU A 73 -0.457 0.965 7.641 1.00 0.24 H new ATOM 0 HA GLU A 73 -2.941 2.243 7.893 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.252 3.287 6.941 1.00 0.34 H new ATOM 0 HB3 GLU A 73 -1.617 4.292 7.385 1.00 0.34 H new ATOM 0 HG2 GLU A 73 -0.055 2.437 9.204 1.00 0.46 H new ATOM 0 HG3 GLU A 73 -0.044 4.189 9.226 1.00 0.46 H new ATOM 1093 N LEU A 74 -1.823 1.979 4.804 1.00 0.24 N ATOM 1094 CA LEU A 74 -2.236 2.101 3.395 1.00 0.25 C ATOM 1095 C LEU A 74 -3.478 1.234 3.164 1.00 0.25 C ATOM 1096 O LEU A 74 -4.471 1.683 2.572 1.00 0.26 O ATOM 1097 CB LEU A 74 -1.072 1.669 2.454 1.00 0.28 C ATOM 1098 CG LEU A 74 -1.132 2.085 0.952 1.00 0.35 C ATOM 1099 CD1 LEU A 74 -2.170 1.297 0.167 1.00 0.93 C ATOM 1100 CD2 LEU A 74 -1.392 3.579 0.816 1.00 0.88 C ATOM 0 H LEU A 74 -0.899 1.569 4.939 1.00 0.24 H new ATOM 0 HA LEU A 74 -2.479 3.139 3.169 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -0.146 2.065 2.870 1.00 0.28 H new ATOM 0 HB3 LEU A 74 -1.000 0.582 2.494 1.00 0.28 H new ATOM 0 HG LEU A 74 -0.157 1.850 0.524 1.00 0.35 H new ATOM 0 HD11 LEU A 74 -2.169 1.627 -0.872 1.00 0.93 H new ATOM 0 HD12 LEU A 74 -1.929 0.235 0.210 1.00 0.93 H new ATOM 0 HD13 LEU A 74 -3.157 1.463 0.599 1.00 0.93 H new ATOM 0 HD21 LEU A 74 -1.430 3.847 -0.240 1.00 0.88 H new ATOM 0 HD22 LEU A 74 -2.343 3.827 1.288 1.00 0.88 H new ATOM 0 HD23 LEU A 74 -0.590 4.134 1.303 1.00 0.88 H new ATOM 1112 N LEU A 75 -3.426 0.010 3.676 1.00 0.26 N ATOM 1113 CA LEU A 75 -4.522 -0.928 3.550 1.00 0.29 C ATOM 1114 C LEU A 75 -5.741 -0.398 4.286 1.00 0.29 C ATOM 1115 O LEU A 75 -6.839 -0.434 3.768 1.00 0.33 O ATOM 1116 CB LEU A 75 -4.131 -2.295 4.127 1.00 0.34 C ATOM 1117 CG LEU A 75 -5.156 -3.416 3.952 1.00 0.40 C ATOM 1118 CD1 LEU A 75 -5.325 -3.761 2.481 1.00 0.50 C ATOM 1119 CD2 LEU A 75 -4.758 -4.643 4.753 1.00 0.45 C ATOM 0 H LEU A 75 -2.623 -0.354 4.188 1.00 0.26 H new ATOM 0 HA LEU A 75 -4.756 -1.046 2.492 1.00 0.29 H new ATOM 0 HB2 LEU A 75 -3.196 -2.609 3.663 1.00 0.34 H new ATOM 0 HB3 LEU A 75 -3.933 -2.174 5.192 1.00 0.34 H new ATOM 0 HG LEU A 75 -6.115 -3.064 4.332 1.00 0.40 H new ATOM 0 HD11 LEU A 75 -6.058 -4.561 2.377 1.00 0.50 H new ATOM 0 HD12 LEU A 75 -5.669 -2.881 1.938 1.00 0.50 H new ATOM 0 HD13 LEU A 75 -4.369 -4.089 2.072 1.00 0.50 H new ATOM 0 HD21 LEU A 75 -5.503 -5.427 4.612 1.00 0.45 H new ATOM 0 HD22 LEU A 75 -3.786 -5.000 4.412 1.00 0.45 H new ATOM 0 HD23 LEU A 75 -4.699 -4.384 5.810 1.00 0.45 H new ATOM 1131 N ASP A 76 -5.505 0.149 5.458 1.00 0.28 N ATOM 1132 CA ASP A 76 -6.541 0.671 6.347 1.00 0.32 C ATOM 1133 C ASP A 76 -7.273 1.805 5.684 1.00 0.29 C ATOM 1134 O ASP A 76 -8.509 1.829 5.652 1.00 0.33 O ATOM 1135 CB ASP A 76 -5.901 1.142 7.652 1.00 0.37 C ATOM 1136 CG ASP A 76 -6.866 1.768 8.616 1.00 0.47 C ATOM 1137 OD1 ASP A 76 -7.676 1.033 9.214 1.00 0.60 O ATOM 1138 OD2 ASP A 76 -6.858 3.012 8.772 1.00 0.54 O ATOM 0 H ASP A 76 -4.564 0.250 5.837 1.00 0.28 H new ATOM 0 HA ASP A 76 -7.259 -0.119 6.566 1.00 0.32 H new ATOM 0 HB2 ASP A 76 -5.420 0.292 8.136 1.00 0.37 H new ATOM 0 HB3 ASP A 76 -5.116 1.862 7.420 1.00 0.37 H new ATOM 1143 N LEU A 77 -6.505 2.713 5.112 1.00 0.24 N ATOM 1144 CA LEU A 77 -7.044 3.833 4.381 1.00 0.24 C ATOM 1145 C LEU A 77 -7.907 3.367 3.224 1.00 0.24 C ATOM 1146 O LEU A 77 -9.006 3.869 3.025 1.00 0.28 O ATOM 1147 CB LEU A 77 -5.935 4.742 3.863 1.00 0.27 C ATOM 1148 CG LEU A 77 -5.160 5.557 4.895 1.00 0.33 C ATOM 1149 CD1 LEU A 77 -4.173 6.468 4.196 1.00 0.43 C ATOM 1150 CD2 LEU A 77 -6.108 6.368 5.761 1.00 0.44 C ATOM 0 H LEU A 77 -5.486 2.690 5.144 1.00 0.24 H new ATOM 0 HA LEU A 77 -7.664 4.401 5.075 1.00 0.24 H new ATOM 0 HB2 LEU A 77 -5.222 4.126 3.315 1.00 0.27 H new ATOM 0 HB3 LEU A 77 -6.374 5.436 3.146 1.00 0.27 H new ATOM 0 HG LEU A 77 -4.613 4.871 5.542 1.00 0.33 H new ATOM 0 HD11 LEU A 77 -3.623 7.047 4.938 1.00 0.43 H new ATOM 0 HD12 LEU A 77 -3.474 5.868 3.613 1.00 0.43 H new ATOM 0 HD13 LEU A 77 -4.710 7.146 3.533 1.00 0.43 H new ATOM 0 HD21 LEU A 77 -5.535 6.941 6.490 1.00 0.44 H new ATOM 0 HD22 LEU A 77 -6.681 7.050 5.133 1.00 0.44 H new ATOM 0 HD23 LEU A 77 -6.789 5.696 6.283 1.00 0.44 H new ATOM 1162 N ILE A 78 -7.434 2.375 2.482 1.00 0.23 N ATOM 1163 CA ILE A 78 -8.198 1.867 1.360 1.00 0.25 C ATOM 1164 C ILE A 78 -9.398 1.067 1.840 1.00 0.29 C ATOM 1165 O ILE A 78 -10.447 1.103 1.232 1.00 0.32 O ATOM 1166 CB ILE A 78 -7.353 1.046 0.346 1.00 0.27 C ATOM 1167 CG1 ILE A 78 -6.284 1.934 -0.285 1.00 0.28 C ATOM 1168 CG2 ILE A 78 -8.241 0.452 -0.745 1.00 0.41 C ATOM 1169 CD1 ILE A 78 -5.520 1.266 -1.398 1.00 0.32 C ATOM 0 H ILE A 78 -6.537 1.914 2.636 1.00 0.23 H new ATOM 0 HA ILE A 78 -8.548 2.744 0.815 1.00 0.25 H new ATOM 0 HB ILE A 78 -6.872 0.230 0.885 1.00 0.27 H new ATOM 0 HG12 ILE A 78 -6.757 2.837 -0.672 1.00 0.28 H new ATOM 0 HG13 ILE A 78 -5.582 2.248 0.488 1.00 0.28 H new ATOM 0 HG21 ILE A 78 -7.628 -0.118 -1.443 1.00 0.41 H new ATOM 0 HG22 ILE A 78 -8.983 -0.206 -0.292 1.00 0.41 H new ATOM 0 HG23 ILE A 78 -8.747 1.256 -1.280 1.00 0.41 H new ATOM 0 HD11 ILE A 78 -4.779 1.958 -1.797 1.00 0.32 H new ATOM 0 HD12 ILE A 78 -5.018 0.379 -1.013 1.00 0.32 H new ATOM 0 HD13 ILE A 78 -6.210 0.977 -2.191 1.00 0.32 H new ATOM 1181 N ASN A 79 -9.251 0.379 2.952 1.00 0.33 N ATOM 1182 CA ASN A 79 -10.358 -0.369 3.539 1.00 0.41 C ATOM 1183 C ASN A 79 -11.496 0.568 3.876 1.00 0.41 C ATOM 1184 O ASN A 79 -12.639 0.330 3.483 1.00 0.53 O ATOM 1185 CB ASN A 79 -9.935 -1.177 4.788 1.00 0.53 C ATOM 1186 CG ASN A 79 -9.275 -2.537 4.495 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -9.411 -3.471 5.271 1.00 1.20 O ATOM 1188 ND2 ASN A 79 -8.553 -2.658 3.406 1.00 0.71 N ATOM 0 H ASN A 79 -8.377 0.318 3.474 1.00 0.33 H new ATOM 0 HA ASN A 79 -10.690 -1.092 2.794 1.00 0.41 H new ATOM 0 HB2 ASN A 79 -9.242 -0.573 5.374 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -10.815 -1.344 5.408 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -8.093 -3.544 3.195 1.00 0.71 H new ATOM 0 HD22 ASN A 79 -8.452 -1.866 2.771 1.00 0.71 H new ATOM 1195 N GLY A 80 -11.164 1.676 4.514 1.00 0.39 N ATOM 1196 CA GLY A 80 -12.170 2.650 4.883 1.00 0.45 C ATOM 1197 C GLY A 80 -12.700 3.398 3.675 1.00 0.43 C ATOM 1198 O GLY A 80 -13.907 3.665 3.567 1.00 0.55 O ATOM 0 H GLY A 80 -10.212 1.921 4.785 1.00 0.39 H new ATOM 0 HA2 GLY A 80 -12.994 2.147 5.389 1.00 0.45 H new ATOM 0 HA3 GLY A 80 -11.745 3.360 5.593 1.00 0.45 H new ATOM 1202 N ALA A 81 -11.814 3.693 2.738 1.00 0.34 N ATOM 1203 CA ALA A 81 -12.172 4.444 1.551 1.00 0.36 C ATOM 1204 C ALA A 81 -13.028 3.608 0.623 1.00 0.34 C ATOM 1205 O ALA A 81 -13.963 4.112 0.023 1.00 0.42 O ATOM 1206 CB ALA A 81 -10.937 4.965 0.835 1.00 0.38 C ATOM 0 H ALA A 81 -10.832 3.419 2.780 1.00 0.34 H new ATOM 0 HA ALA A 81 -12.759 5.307 1.866 1.00 0.36 H new ATOM 0 HB1 ALA A 81 -11.239 5.524 -0.051 1.00 0.38 H new ATOM 0 HB2 ALA A 81 -10.378 5.619 1.504 1.00 0.38 H new ATOM 0 HB3 ALA A 81 -10.308 4.126 0.538 1.00 0.38 H new ATOM 1212 N LEU A 82 -12.720 2.326 0.525 1.00 0.29 N ATOM 1213 CA LEU A 82 -13.506 1.410 -0.279 1.00 0.31 C ATOM 1214 C LEU A 82 -14.828 1.075 0.384 1.00 0.40 C ATOM 1215 O LEU A 82 -15.754 0.675 -0.274 1.00 0.53 O ATOM 1216 CB LEU A 82 -12.746 0.125 -0.633 1.00 0.33 C ATOM 1217 CG LEU A 82 -11.737 0.183 -1.794 1.00 0.36 C ATOM 1218 CD1 LEU A 82 -11.154 -1.191 -2.038 1.00 0.47 C ATOM 1219 CD2 LEU A 82 -12.417 0.683 -3.059 1.00 0.41 C ATOM 0 H LEU A 82 -11.925 1.895 0.997 1.00 0.29 H new ATOM 0 HA LEU A 82 -13.709 1.934 -1.213 1.00 0.31 H new ATOM 0 HB2 LEU A 82 -12.212 -0.204 0.258 1.00 0.33 H new ATOM 0 HB3 LEU A 82 -13.481 -0.645 -0.867 1.00 0.33 H new ATOM 0 HG LEU A 82 -10.936 0.872 -1.527 1.00 0.36 H new ATOM 0 HD11 LEU A 82 -10.441 -1.143 -2.861 1.00 0.47 H new ATOM 0 HD12 LEU A 82 -10.646 -1.536 -1.137 1.00 0.47 H new ATOM 0 HD13 LEU A 82 -11.954 -1.886 -2.292 1.00 0.47 H new ATOM 0 HD21 LEU A 82 -11.692 0.719 -3.872 1.00 0.41 H new ATOM 0 HD22 LEU A 82 -13.229 0.007 -3.327 1.00 0.41 H new ATOM 0 HD23 LEU A 82 -12.818 1.682 -2.886 1.00 0.41 H new ATOM 1231 N ALA A 83 -14.903 1.220 1.695 1.00 0.44 N ATOM 1232 CA ALA A 83 -16.169 1.028 2.397 1.00 0.56 C ATOM 1233 C ALA A 83 -17.101 2.181 2.045 1.00 0.67 C ATOM 1234 O ALA A 83 -18.311 2.021 1.943 1.00 0.80 O ATOM 1235 CB ALA A 83 -15.945 0.966 3.900 1.00 0.67 C ATOM 0 H ALA A 83 -14.115 1.467 2.293 1.00 0.44 H new ATOM 0 HA ALA A 83 -16.618 0.084 2.089 1.00 0.56 H new ATOM 0 HB1 ALA A 83 -16.900 0.823 4.405 1.00 0.67 H new ATOM 0 HB2 ALA A 83 -15.282 0.133 4.135 1.00 0.67 H new ATOM 0 HB3 ALA A 83 -15.492 1.898 4.239 1.00 0.67 H new ATOM 1241 N GLU A 84 -16.493 3.327 1.827 1.00 0.78 N ATOM 1242 CA GLU A 84 -17.169 4.549 1.446 1.00 1.04 C ATOM 1243 C GLU A 84 -17.486 4.536 -0.053 1.00 1.08 C ATOM 1244 O GLU A 84 -18.533 5.035 -0.495 1.00 1.41 O ATOM 1245 CB GLU A 84 -16.247 5.721 1.790 1.00 1.29 C ATOM 1246 CG GLU A 84 -16.729 7.081 1.352 1.00 1.69 C ATOM 1247 CD GLU A 84 -15.750 8.157 1.716 1.00 2.22 C ATOM 1248 OE1 GLU A 84 -14.681 8.245 1.073 1.00 3.00 O ATOM 1249 OE2 GLU A 84 -16.012 8.917 2.677 1.00 2.44 O ATOM 0 H GLU A 84 -15.483 3.438 1.913 1.00 0.78 H new ATOM 0 HA GLU A 84 -18.113 4.644 1.983 1.00 1.04 H new ATOM 0 HB2 GLU A 84 -16.099 5.738 2.870 1.00 1.29 H new ATOM 0 HB3 GLU A 84 -15.272 5.538 1.338 1.00 1.29 H new ATOM 0 HG2 GLU A 84 -16.887 7.082 0.274 1.00 1.69 H new ATOM 0 HG3 GLU A 84 -17.693 7.293 1.816 1.00 1.69 H new ATOM 1256 N ALA A 85 -16.578 3.972 -0.816 1.00 1.08 N ATOM 1257 CA ALA A 85 -16.694 3.895 -2.253 1.00 1.26 C ATOM 1258 C ALA A 85 -17.795 2.944 -2.678 1.00 1.86 C ATOM 1259 O ALA A 85 -18.168 2.012 -1.942 1.00 2.41 O ATOM 1260 CB ALA A 85 -15.369 3.483 -2.877 1.00 1.50 C ATOM 0 H ALA A 85 -15.726 3.548 -0.450 1.00 1.08 H new ATOM 0 HA ALA A 85 -16.959 4.890 -2.612 1.00 1.26 H new ATOM 0 HB1 ALA A 85 -15.478 3.431 -3.960 1.00 1.50 H new ATOM 0 HB2 ALA A 85 -14.604 4.217 -2.624 1.00 1.50 H new ATOM 0 HB3 ALA A 85 -15.075 2.506 -2.494 1.00 1.50 H new ATOM 1266 N ALA A 86 -18.313 3.200 -3.831 1.00 2.51 N ATOM 1267 CA ALA A 86 -19.357 2.433 -4.422 1.00 3.40 C ATOM 1268 C ALA A 86 -19.259 2.642 -5.900 1.00 3.97 C ATOM 1269 O ALA A 86 -19.008 1.684 -6.637 1.00 4.31 O ATOM 1270 CB ALA A 86 -20.716 2.874 -3.907 1.00 4.16 C ATOM 1271 OXT ALA A 86 -19.309 3.814 -6.333 1.00 4.46 O ATOM 0 H ALA A 86 -18.008 3.981 -4.411 1.00 2.51 H new ATOM 0 HA ALA A 86 -19.252 1.378 -4.167 1.00 3.40 H new ATOM 0 HB1 ALA A 86 -21.495 2.272 -4.375 1.00 4.16 H new ATOM 0 HB2 ALA A 86 -20.756 2.742 -2.826 1.00 4.16 H new ATOM 0 HB3 ALA A 86 -20.874 3.925 -4.151 1.00 4.16 H new TER 1277 ALA A 86 HETATM 1278 P24 SXM A 87 8.723 9.890 1.656 1.00 1.21 P HETATM 1279 O26 SXM A 87 9.651 10.062 0.516 1.00 1.74 O HETATM 1280 O23 SXM A 87 9.309 9.911 3.036 1.00 1.80 O HETATM 1281 O27 SXM A 87 7.599 10.964 1.560 1.00 1.38 O HETATM 1282 C28 SXM A 87 7.984 12.366 1.644 1.00 1.45 C HETATM 1283 C29 SXM A 87 6.761 13.288 1.501 1.00 1.80 C HETATM 1284 C30 SXM A 87 6.208 13.087 0.098 1.00 2.11 C HETATM 1285 C31 SXM A 87 5.670 12.934 2.521 1.00 2.36 C HETATM 1286 C32 SXM A 87 7.201 14.798 1.682 1.00 2.39 C HETATM 1287 O33 SXM A 87 7.976 15.264 0.550 1.00 2.90 O HETATM 1288 C34 SXM A 87 8.034 15.022 2.955 1.00 3.07 C HETATM 1289 O35 SXM A 87 7.821 14.438 4.022 1.00 3.59 O HETATM 1290 N36 SXM A 87 8.993 15.884 2.795 1.00 3.60 N HETATM 1291 C37 SXM A 87 9.947 16.281 3.824 1.00 4.62 C HETATM 1292 C38 SXM A 87 10.585 17.648 3.557 1.00 5.30 C HETATM 1293 C39 SXM A 87 11.332 17.764 2.228 1.00 5.85 C HETATM 1294 O40 SXM A 87 11.230 16.917 1.323 1.00 6.03 O HETATM 1295 N41 SXM A 87 12.049 18.855 2.111 1.00 6.44 N HETATM 1296 C42 SXM A 87 12.831 19.218 0.951 1.00 7.23 C HETATM 1297 C43 SXM A 87 14.098 19.936 1.347 1.00 7.98 C HETATM 1298 S1 SXM A 87 14.862 20.585 -0.046 1.00 8.65 S HETATM 1299 C1 SXM A 87 16.262 21.260 0.739 1.00 9.38 C HETATM 1300 O1 SXM A 87 16.604 21.000 1.926 1.00 9.42 O HETATM 1301 C2 SXM A 87 17.041 22.269 -0.096 1.00 10.27 C HETATM 1302 C3 SXM A 87 17.501 21.836 -1.488 1.00 10.74 C HETATM 1303 O3A SXM A 87 18.141 22.670 -2.184 1.00 10.77 O HETATM 1304 O3B SXM A 87 17.220 20.702 -1.933 1.00 11.31 O HETATM 0 HO3B SXM A 87 16.335 20.434 -1.609 1.00 11.31 H new HETATM 0 HO33 SXM A 87 7.795 16.215 0.399 1.00 2.90 H new HETATM 0 HN41 SXM A 87 12.056 19.499 2.902 1.00 6.44 H new HETATM 0 HN36 SXM A 87 9.086 16.318 1.876 1.00 3.60 H new HETATM 0 H43A SXM A 87 13.868 20.735 2.052 1.00 7.98 H new HETATM 0 H42A SXM A 87 13.081 18.322 0.383 1.00 7.23 H new HETATM 0 H38A SXM A 87 9.804 18.408 3.585 1.00 5.30 H new HETATM 0 H37A SXM A 87 9.442 16.305 4.790 1.00 4.62 H new HETATM 0 H31B SXM A 87 5.347 11.905 2.366 1.00 2.36 H new HETATM 0 H31A SXM A 87 6.067 13.041 3.530 1.00 2.36 H new HETATM 0 H30B SXM A 87 6.972 13.347 -0.635 1.00 2.11 H new HETATM 0 H30A SXM A 87 5.919 12.044 -0.033 1.00 2.11 H new HETATM 0 H28A SXM A 87 8.475 12.554 2.599 1.00 1.45 H new HETATM 0 H43 SXM A 87 14.773 19.247 1.855 1.00 7.98 H new HETATM 0 H42 SXM A 87 12.238 19.856 0.295 1.00 7.23 H new HETATM 0 H38 SXM A 87 11.279 17.873 4.367 1.00 5.30 H new HETATM 0 H37 SXM A 87 10.732 15.528 3.893 1.00 4.62 H new HETATM 0 H32 SXM A 87 6.273 15.364 1.761 1.00 2.39 H new HETATM 0 H31 SXM A 87 4.820 13.605 2.392 1.00 2.36 H new HETATM 0 H30 SXM A 87 5.336 13.726 -0.044 1.00 2.11 H new HETATM 0 H2A SXM A 87 16.422 23.159 -0.209 1.00 10.27 H new HETATM 0 H28 SXM A 87 8.708 12.594 0.862 1.00 1.45 H new HETATM 0 H2 SXM A 87 17.923 22.564 0.472 1.00 10.27 H new