USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 656 hydrogens (27 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 85:sc= 1.18 USER MOD Set 1.2: A 40 TYR OH : rot -163:sc= -0.991! USER MOD Set 1.3: A 48 THR OG1 : rot 85:sc= 1.89 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0563 (180deg=-0.39) USER MOD Single : A 1 MET N :NH3+ 171:sc= 1.01 (180deg=0.866) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -72:sc= 1.09 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 7:sc= 1.01 USER MOD Single : A 27 SER OG : rot 34:sc= 0.686 USER MOD Single : A 46 MET CE :methyl 155:sc= -0.404 (180deg=-1.33!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 164:sc= -0.968 USER MOD Single : A 59 SER OG : rot 16:sc= 1.17 USER MOD Single : A 70 THR OG1 : rot -170:sc= 0.131 USER MOD Single : A 79 ASN : amide:sc= -0.0404 K(o=-0.04,f=-12!) USER MOD Single : A 87 PSR O33 : rot -125:sc= 0.27 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.230 8.276 7.058 1.00 3.26 N ATOM 2 CA MET A 1 16.845 7.808 7.142 1.00 3.05 C ATOM 3 C MET A 1 16.358 7.296 5.801 1.00 2.56 C ATOM 4 O MET A 1 15.179 6.937 5.666 1.00 2.94 O ATOM 5 CB MET A 1 15.906 8.902 7.676 1.00 3.74 C ATOM 6 CG MET A 1 16.101 9.247 9.149 1.00 4.31 C ATOM 7 SD MET A 1 17.728 9.939 9.527 1.00 5.28 S ATOM 8 CE MET A 1 17.672 11.483 8.615 1.00 5.97 C ATOM 0 H1 MET A 1 18.488 8.758 7.943 1.00 3.26 H new ATOM 0 H2 MET A 1 18.862 7.464 6.910 1.00 3.26 H new ATOM 0 H3 MET A 1 18.325 8.939 6.262 1.00 3.26 H new ATOM 0 HA MET A 1 16.829 6.981 7.852 1.00 3.05 H new ATOM 0 HB2 MET A 1 16.049 9.806 7.083 1.00 3.74 H new ATOM 0 HB3 MET A 1 14.875 8.582 7.525 1.00 3.74 H new ATOM 0 HG2 MET A 1 15.334 9.961 9.450 1.00 4.31 H new ATOM 0 HG3 MET A 1 15.951 8.347 9.746 1.00 4.31 H new ATOM 0 HE1 MET A 1 18.465 12.143 8.967 1.00 5.97 H new ATOM 0 HE2 MET A 1 17.812 11.283 7.553 1.00 5.97 H new ATOM 0 HE3 MET A 1 16.705 11.962 8.770 1.00 5.97 H new ATOM 20 N ALA A 2 17.275 7.274 4.802 1.00 2.10 N ATOM 21 CA ALA A 2 17.006 6.776 3.448 1.00 1.73 C ATOM 22 C ALA A 2 15.929 7.601 2.744 1.00 1.51 C ATOM 23 O ALA A 2 15.500 8.656 3.248 1.00 1.50 O ATOM 24 CB ALA A 2 16.647 5.284 3.476 1.00 1.60 C ATOM 0 H ALA A 2 18.231 7.608 4.925 1.00 2.10 H new ATOM 0 HA ALA A 2 17.921 6.889 2.866 1.00 1.73 H new ATOM 0 HB1 ALA A 2 16.452 4.938 2.461 1.00 1.60 H new ATOM 0 HB2 ALA A 2 17.477 4.718 3.899 1.00 1.60 H new ATOM 0 HB3 ALA A 2 15.757 5.135 4.087 1.00 1.60 H new ATOM 30 N THR A 3 15.525 7.171 1.584 1.00 1.47 N ATOM 31 CA THR A 3 14.468 7.830 0.890 1.00 1.37 C ATOM 32 C THR A 3 13.262 6.892 0.952 1.00 1.07 C ATOM 33 O THR A 3 13.238 5.810 0.338 1.00 1.10 O ATOM 34 CB THR A 3 14.900 8.206 -0.583 1.00 1.63 C ATOM 35 OG1 THR A 3 13.867 8.918 -1.276 1.00 2.22 O ATOM 36 CG2 THR A 3 15.337 7.003 -1.414 1.00 2.02 C ATOM 0 H THR A 3 15.916 6.363 1.101 1.00 1.47 H new ATOM 0 HA THR A 3 14.211 8.784 1.351 1.00 1.37 H new ATOM 0 HB THR A 3 15.768 8.855 -0.465 1.00 1.63 H new ATOM 0 HG1 THR A 3 14.171 9.135 -2.182 1.00 2.22 H new ATOM 0 HG21 THR A 3 15.620 7.334 -2.413 1.00 2.02 H new ATOM 0 HG22 THR A 3 16.190 6.522 -0.936 1.00 2.02 H new ATOM 0 HG23 THR A 3 14.514 6.293 -1.487 1.00 2.02 H new ATOM 44 N LEU A 4 12.311 7.248 1.768 1.00 0.91 N ATOM 45 CA LEU A 4 11.188 6.396 1.994 1.00 0.65 C ATOM 46 C LEU A 4 9.919 7.080 1.569 1.00 0.63 C ATOM 47 O LEU A 4 9.914 8.267 1.230 1.00 0.84 O ATOM 48 CB LEU A 4 11.107 5.976 3.475 1.00 0.62 C ATOM 49 CG LEU A 4 12.334 5.251 4.056 1.00 0.65 C ATOM 50 CD1 LEU A 4 12.081 4.840 5.494 1.00 0.80 C ATOM 51 CD2 LEU A 4 12.711 4.037 3.218 1.00 0.51 C ATOM 0 H LEU A 4 12.295 8.126 2.287 1.00 0.91 H new ATOM 0 HA LEU A 4 11.315 5.495 1.394 1.00 0.65 H new ATOM 0 HB2 LEU A 4 10.925 6.869 4.073 1.00 0.62 H new ATOM 0 HB3 LEU A 4 10.239 5.328 3.598 1.00 0.62 H new ATOM 0 HG LEU A 4 13.171 5.949 4.032 1.00 0.65 H new ATOM 0 HD11 LEU A 4 12.960 4.329 5.886 1.00 0.80 H new ATOM 0 HD12 LEU A 4 11.878 5.726 6.095 1.00 0.80 H new ATOM 0 HD13 LEU A 4 11.223 4.169 5.535 1.00 0.80 H new ATOM 0 HD21 LEU A 4 13.581 3.548 3.656 1.00 0.51 H new ATOM 0 HD22 LEU A 4 11.875 3.337 3.195 1.00 0.51 H new ATOM 0 HD23 LEU A 4 12.947 4.355 2.202 1.00 0.51 H new ATOM 63 N LEU A 5 8.861 6.341 1.570 1.00 0.44 N ATOM 64 CA LEU A 5 7.573 6.835 1.218 1.00 0.40 C ATOM 65 C LEU A 5 6.908 7.392 2.436 1.00 0.35 C ATOM 66 O LEU A 5 7.085 6.875 3.549 1.00 0.41 O ATOM 67 CB LEU A 5 6.722 5.713 0.654 1.00 0.41 C ATOM 68 CG LEU A 5 7.156 5.138 -0.675 1.00 0.59 C ATOM 69 CD1 LEU A 5 6.322 3.922 -1.016 1.00 0.72 C ATOM 70 CD2 LEU A 5 6.996 6.182 -1.741 1.00 0.81 C ATOM 0 H LEU A 5 8.868 5.353 1.822 1.00 0.44 H new ATOM 0 HA LEU A 5 7.683 7.615 0.465 1.00 0.40 H new ATOM 0 HB2 LEU A 5 6.698 4.904 1.384 1.00 0.41 H new ATOM 0 HB3 LEU A 5 5.701 6.079 0.550 1.00 0.41 H new ATOM 0 HG LEU A 5 8.202 4.836 -0.612 1.00 0.59 H new ATOM 0 HD11 LEU A 5 6.644 3.517 -1.975 1.00 0.72 H new ATOM 0 HD12 LEU A 5 6.449 3.165 -0.242 1.00 0.72 H new ATOM 0 HD13 LEU A 5 5.272 4.207 -1.077 1.00 0.72 H new ATOM 0 HD21 LEU A 5 7.308 5.772 -2.702 1.00 0.81 H new ATOM 0 HD22 LEU A 5 5.951 6.486 -1.798 1.00 0.81 H new ATOM 0 HD23 LEU A 5 7.613 7.047 -1.498 1.00 0.81 H new ATOM 82 N THR A 6 6.191 8.444 2.255 1.00 0.37 N ATOM 83 CA THR A 6 5.462 9.026 3.325 1.00 0.42 C ATOM 84 C THR A 6 3.989 8.655 3.186 1.00 0.35 C ATOM 85 O THR A 6 3.610 8.038 2.180 1.00 0.34 O ATOM 86 CB THR A 6 5.647 10.562 3.353 1.00 0.59 C ATOM 87 OG1 THR A 6 5.246 11.135 2.083 1.00 0.65 O ATOM 88 CG2 THR A 6 7.102 10.916 3.613 1.00 0.72 C ATOM 0 H THR A 6 6.093 8.925 1.361 1.00 0.37 H new ATOM 0 HA THR A 6 5.842 8.638 4.270 1.00 0.42 H new ATOM 0 HB THR A 6 5.026 10.965 4.153 1.00 0.59 H new ATOM 0 HG1 THR A 6 5.910 10.910 1.398 1.00 0.65 H new ATOM 0 HG21 THR A 6 7.215 12.000 3.630 1.00 0.72 H new ATOM 0 HG22 THR A 6 7.411 10.504 4.574 1.00 0.72 H new ATOM 0 HG23 THR A 6 7.725 10.498 2.822 1.00 0.72 H new ATOM 96 N THR A 7 3.177 9.005 4.161 1.00 0.40 N ATOM 97 CA THR A 7 1.741 8.804 4.090 1.00 0.43 C ATOM 98 C THR A 7 1.175 9.530 2.847 1.00 0.41 C ATOM 99 O THR A 7 0.259 9.039 2.185 1.00 0.43 O ATOM 100 CB THR A 7 1.061 9.298 5.382 1.00 0.58 C ATOM 101 OG1 THR A 7 1.728 8.694 6.513 1.00 0.69 O ATOM 102 CG2 THR A 7 -0.411 8.896 5.406 1.00 0.66 C ATOM 0 H THR A 7 3.493 9.438 5.029 1.00 0.40 H new ATOM 0 HA THR A 7 1.532 7.739 3.994 1.00 0.43 H new ATOM 0 HB THR A 7 1.128 10.385 5.425 1.00 0.58 H new ATOM 0 HG1 THR A 7 1.307 9.001 7.343 1.00 0.69 H new ATOM 0 HG21 THR A 7 -0.871 9.255 6.327 1.00 0.66 H new ATOM 0 HG22 THR A 7 -0.922 9.336 4.550 1.00 0.66 H new ATOM 0 HG23 THR A 7 -0.492 7.810 5.359 1.00 0.66 H new ATOM 110 N ASP A 8 1.772 10.689 2.529 1.00 0.44 N ATOM 111 CA ASP A 8 1.424 11.462 1.326 1.00 0.51 C ATOM 112 C ASP A 8 1.621 10.613 0.086 1.00 0.47 C ATOM 113 O ASP A 8 0.747 10.535 -0.774 1.00 0.52 O ATOM 114 CB ASP A 8 2.273 12.747 1.193 1.00 0.63 C ATOM 115 CG ASP A 8 2.001 13.790 2.258 1.00 1.46 C ATOM 116 OD1 ASP A 8 1.097 14.637 2.055 1.00 1.63 O ATOM 117 OD2 ASP A 8 2.667 13.768 3.318 1.00 2.38 O ATOM 0 H ASP A 8 2.506 11.115 3.095 1.00 0.44 H new ATOM 0 HA ASP A 8 0.378 11.752 1.425 1.00 0.51 H new ATOM 0 HB2 ASP A 8 3.328 12.476 1.228 1.00 0.63 H new ATOM 0 HB3 ASP A 8 2.090 13.189 0.214 1.00 0.63 H new ATOM 122 N ASP A 9 2.763 9.941 0.026 1.00 0.45 N ATOM 123 CA ASP A 9 3.107 9.067 -1.107 1.00 0.49 C ATOM 124 C ASP A 9 2.196 7.872 -1.130 1.00 0.47 C ATOM 125 O ASP A 9 1.769 7.418 -2.175 1.00 0.56 O ATOM 126 CB ASP A 9 4.544 8.542 -1.011 1.00 0.60 C ATOM 127 CG ASP A 9 5.614 9.585 -1.113 1.00 1.11 C ATOM 128 OD1 ASP A 9 5.949 10.005 -2.235 1.00 1.08 O ATOM 129 OD2 ASP A 9 6.195 9.968 -0.063 1.00 2.00 O ATOM 0 H ASP A 9 3.478 9.980 0.752 1.00 0.45 H new ATOM 0 HA ASP A 9 2.999 9.668 -2.010 1.00 0.49 H new ATOM 0 HB2 ASP A 9 4.659 8.018 -0.062 1.00 0.60 H new ATOM 0 HB3 ASP A 9 4.699 7.808 -1.801 1.00 0.60 H new ATOM 134 N LEU A 10 1.898 7.380 0.042 1.00 0.42 N ATOM 135 CA LEU A 10 1.072 6.211 0.218 1.00 0.44 C ATOM 136 C LEU A 10 -0.357 6.452 -0.274 1.00 0.42 C ATOM 137 O LEU A 10 -0.957 5.560 -0.871 1.00 0.50 O ATOM 138 CB LEU A 10 1.082 5.806 1.695 1.00 0.45 C ATOM 139 CG LEU A 10 0.220 4.609 2.105 1.00 0.48 C ATOM 140 CD1 LEU A 10 0.710 3.322 1.449 1.00 0.66 C ATOM 141 CD2 LEU A 10 0.198 4.471 3.617 1.00 0.80 C ATOM 0 H LEU A 10 2.227 7.786 0.918 1.00 0.42 H new ATOM 0 HA LEU A 10 1.481 5.399 -0.383 1.00 0.44 H new ATOM 0 HB2 LEU A 10 2.112 5.591 1.978 1.00 0.45 H new ATOM 0 HB3 LEU A 10 0.763 6.667 2.282 1.00 0.45 H new ATOM 0 HG LEU A 10 -0.797 4.788 1.757 1.00 0.48 H new ATOM 0 HD11 LEU A 10 0.077 2.491 1.760 1.00 0.66 H new ATOM 0 HD12 LEU A 10 0.665 3.426 0.365 1.00 0.66 H new ATOM 0 HD13 LEU A 10 1.739 3.128 1.752 1.00 0.66 H new ATOM 0 HD21 LEU A 10 -0.418 3.616 3.895 1.00 0.80 H new ATOM 0 HD22 LEU A 10 1.214 4.321 3.983 1.00 0.80 H new ATOM 0 HD23 LEU A 10 -0.217 5.377 4.059 1.00 0.80 H new ATOM 153 N ARG A 11 -0.878 7.672 -0.057 1.00 0.40 N ATOM 154 CA ARG A 11 -2.248 8.021 -0.455 1.00 0.41 C ATOM 155 C ARG A 11 -2.551 7.679 -1.877 1.00 0.40 C ATOM 156 O ARG A 11 -3.529 7.006 -2.129 1.00 0.42 O ATOM 157 CB ARG A 11 -2.615 9.480 -0.185 1.00 0.48 C ATOM 158 CG ARG A 11 -2.733 9.843 1.280 1.00 0.58 C ATOM 159 CD ARG A 11 -3.255 11.256 1.461 1.00 0.72 C ATOM 160 NE ARG A 11 -2.487 12.225 0.691 1.00 1.24 N ATOM 161 CZ ARG A 11 -1.620 13.081 1.204 1.00 1.74 C ATOM 162 NH1 ARG A 11 -1.467 13.168 2.523 1.00 2.01 N ATOM 163 NH2 ARG A 11 -0.912 13.859 0.406 1.00 2.57 N ATOM 0 H ARG A 11 -0.368 8.432 0.393 1.00 0.40 H new ATOM 0 HA ARG A 11 -2.872 7.400 0.187 1.00 0.41 H new ATOM 0 HB2 ARG A 11 -1.862 10.121 -0.644 1.00 0.48 H new ATOM 0 HB3 ARG A 11 -3.563 9.699 -0.677 1.00 0.48 H new ATOM 0 HG2 ARG A 11 -3.401 9.140 1.778 1.00 0.58 H new ATOM 0 HG3 ARG A 11 -1.758 9.750 1.759 1.00 0.58 H new ATOM 0 HD2 ARG A 11 -4.301 11.298 1.156 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -3.220 11.523 2.517 1.00 0.72 H new ATOM 0 HE ARG A 11 -2.629 12.245 -0.319 1.00 1.24 H new ATOM 0 HH11 ARG A 11 -2.019 12.573 3.141 1.00 2.01 H new ATOM 0 HH12 ARG A 11 -0.797 13.829 2.916 1.00 2.01 H new ATOM 0 HH21 ARG A 11 -1.034 13.799 -0.605 1.00 2.57 H new ATOM 0 HH22 ARG A 11 -0.243 14.520 0.800 1.00 2.57 H new ATOM 177 N ARG A 12 -1.697 8.096 -2.798 1.00 0.43 N ATOM 178 CA ARG A 12 -1.939 7.852 -4.217 1.00 0.49 C ATOM 179 C ARG A 12 -2.081 6.387 -4.555 1.00 0.49 C ATOM 180 O ARG A 12 -2.867 6.040 -5.392 1.00 0.59 O ATOM 181 CB ARG A 12 -0.921 8.536 -5.128 1.00 0.64 C ATOM 182 CG ARG A 12 0.531 8.184 -4.880 1.00 0.85 C ATOM 183 CD ARG A 12 1.434 8.947 -5.826 1.00 1.00 C ATOM 184 NE ARG A 12 1.097 10.376 -5.839 1.00 1.77 N ATOM 185 CZ ARG A 12 1.846 11.354 -5.344 1.00 2.43 C ATOM 186 NH1 ARG A 12 3.077 11.103 -4.915 1.00 2.51 N ATOM 187 NH2 ARG A 12 1.358 12.596 -5.298 1.00 3.48 N ATOM 0 H ARG A 12 -0.835 8.602 -2.594 1.00 0.43 H new ATOM 0 HA ARG A 12 -2.905 8.317 -4.416 1.00 0.49 H new ATOM 0 HB2 ARG A 12 -1.163 8.288 -6.161 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.036 9.615 -5.023 1.00 0.64 H new ATOM 0 HG2 ARG A 12 0.796 8.417 -3.849 1.00 0.85 H new ATOM 0 HG3 ARG A 12 0.679 7.112 -5.013 1.00 0.85 H new ATOM 0 HD2 ARG A 12 2.474 8.818 -5.525 1.00 1.00 H new ATOM 0 HD3 ARG A 12 1.340 8.539 -6.832 1.00 1.00 H new ATOM 0 HE ARG A 12 0.209 10.641 -6.266 1.00 1.77 H new ATOM 0 HH11 ARG A 12 3.451 10.155 -4.965 1.00 2.51 H new ATOM 0 HH12 ARG A 12 3.649 11.858 -4.536 1.00 2.51 H new ATOM 0 HH21 ARG A 12 0.417 12.787 -5.642 1.00 3.48 H new ATOM 0 HH22 ARG A 12 1.926 13.354 -4.919 1.00 3.48 H new ATOM 201 N ALA A 13 -1.360 5.531 -3.872 1.00 0.50 N ATOM 202 CA ALA A 13 -1.436 4.113 -4.158 1.00 0.59 C ATOM 203 C ALA A 13 -2.814 3.565 -3.781 1.00 0.55 C ATOM 204 O ALA A 13 -3.415 2.798 -4.544 1.00 0.65 O ATOM 205 CB ALA A 13 -0.325 3.370 -3.454 1.00 0.70 C ATOM 0 H ALA A 13 -0.719 5.785 -3.120 1.00 0.50 H new ATOM 0 HA ALA A 13 -1.303 3.961 -5.229 1.00 0.59 H new ATOM 0 HB1 ALA A 13 -0.398 2.306 -3.680 1.00 0.70 H new ATOM 0 HB2 ALA A 13 0.639 3.748 -3.795 1.00 0.70 H new ATOM 0 HB3 ALA A 13 -0.413 3.519 -2.378 1.00 0.70 H new ATOM 211 N LEU A 14 -3.307 3.977 -2.614 1.00 0.47 N ATOM 212 CA LEU A 14 -4.652 3.607 -2.162 1.00 0.48 C ATOM 213 C LEU A 14 -5.688 4.265 -3.070 1.00 0.53 C ATOM 214 O LEU A 14 -6.544 3.615 -3.647 1.00 0.70 O ATOM 215 CB LEU A 14 -4.911 4.040 -0.684 1.00 0.48 C ATOM 216 CG LEU A 14 -4.243 3.237 0.471 1.00 0.56 C ATOM 217 CD1 LEU A 14 -4.691 1.792 0.493 1.00 0.52 C ATOM 218 CD2 LEU A 14 -2.738 3.316 0.430 1.00 0.92 C ATOM 0 H LEU A 14 -2.795 4.569 -1.961 1.00 0.47 H new ATOM 0 HA LEU A 14 -4.734 2.521 -2.211 1.00 0.48 H new ATOM 0 HB2 LEU A 14 -4.596 5.079 -0.586 1.00 0.48 H new ATOM 0 HB3 LEU A 14 -5.988 4.017 -0.519 1.00 0.48 H new ATOM 0 HG LEU A 14 -4.577 3.711 1.394 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -4.199 1.271 1.315 1.00 0.52 H new ATOM 0 HD12 LEU A 14 -5.771 1.748 0.630 1.00 0.52 H new ATOM 0 HD13 LEU A 14 -4.425 1.314 -0.450 1.00 0.52 H new ATOM 0 HD21 LEU A 14 -2.321 2.740 1.256 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -2.378 2.909 -0.515 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -2.426 4.356 0.519 1.00 0.92 H new ATOM 230 N VAL A 15 -5.541 5.557 -3.232 1.00 0.49 N ATOM 231 CA VAL A 15 -6.434 6.377 -4.021 1.00 0.60 C ATOM 232 C VAL A 15 -6.579 5.845 -5.471 1.00 0.66 C ATOM 233 O VAL A 15 -7.692 5.526 -5.900 1.00 0.87 O ATOM 234 CB VAL A 15 -5.968 7.871 -3.949 1.00 0.64 C ATOM 235 CG1 VAL A 15 -6.644 8.748 -4.973 1.00 0.88 C ATOM 236 CG2 VAL A 15 -6.267 8.415 -2.556 1.00 0.84 C ATOM 0 H VAL A 15 -4.777 6.084 -2.808 1.00 0.49 H new ATOM 0 HA VAL A 15 -7.438 6.323 -3.601 1.00 0.60 H new ATOM 0 HB VAL A 15 -4.899 7.889 -4.163 1.00 0.64 H new ATOM 0 HG11 VAL A 15 -6.280 9.771 -4.873 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -6.419 8.379 -5.974 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -7.722 8.729 -4.813 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -5.946 9.455 -2.495 1.00 0.84 H new ATOM 0 HG22 VAL A 15 -7.338 8.354 -2.364 1.00 0.84 H new ATOM 0 HG23 VAL A 15 -5.731 7.826 -1.812 1.00 0.84 H new ATOM 246 N GLU A 16 -5.477 5.702 -6.183 1.00 0.64 N ATOM 247 CA GLU A 16 -5.502 5.204 -7.561 1.00 0.77 C ATOM 248 C GLU A 16 -6.173 3.819 -7.682 1.00 0.70 C ATOM 249 O GLU A 16 -7.090 3.638 -8.489 1.00 0.81 O ATOM 250 CB GLU A 16 -4.084 5.137 -8.138 1.00 0.95 C ATOM 251 CG GLU A 16 -3.407 6.486 -8.333 1.00 1.63 C ATOM 252 CD GLU A 16 -4.149 7.414 -9.266 1.00 1.66 C ATOM 253 OE1 GLU A 16 -4.118 7.183 -10.494 1.00 2.10 O ATOM 254 OE2 GLU A 16 -4.731 8.417 -8.791 1.00 1.92 O ATOM 0 H GLU A 16 -4.544 5.923 -5.834 1.00 0.64 H new ATOM 0 HA GLU A 16 -6.101 5.913 -8.133 1.00 0.77 H new ATOM 0 HB2 GLU A 16 -3.467 4.529 -7.476 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -4.122 4.624 -9.099 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -3.300 6.971 -7.363 1.00 1.63 H new ATOM 0 HG3 GLU A 16 -2.401 6.324 -8.721 1.00 1.63 H new ATOM 261 N SER A 17 -5.763 2.877 -6.845 1.00 0.58 N ATOM 262 CA SER A 17 -6.234 1.488 -6.944 1.00 0.61 C ATOM 263 C SER A 17 -7.700 1.332 -6.499 1.00 0.69 C ATOM 264 O SER A 17 -8.405 0.411 -6.945 1.00 0.82 O ATOM 265 CB SER A 17 -5.309 0.591 -6.125 1.00 0.57 C ATOM 266 OG SER A 17 -3.957 0.898 -6.450 1.00 1.00 O ATOM 0 H SER A 17 -5.103 3.042 -6.085 1.00 0.58 H new ATOM 0 HA SER A 17 -6.204 1.188 -7.991 1.00 0.61 H new ATOM 0 HB2 SER A 17 -5.484 0.743 -5.060 1.00 0.57 H new ATOM 0 HB3 SER A 17 -5.518 -0.458 -6.336 1.00 0.57 H new ATOM 0 HG SER A 17 -3.656 1.659 -5.911 1.00 1.00 H new ATOM 272 N ALA A 18 -8.159 2.232 -5.648 1.00 0.78 N ATOM 273 CA ALA A 18 -9.526 2.188 -5.149 1.00 0.97 C ATOM 274 C ALA A 18 -10.495 2.855 -6.104 1.00 1.13 C ATOM 275 O ALA A 18 -11.708 2.775 -5.917 1.00 1.49 O ATOM 276 CB ALA A 18 -9.613 2.873 -3.807 1.00 1.11 C ATOM 0 H ALA A 18 -7.604 3.007 -5.285 1.00 0.78 H new ATOM 0 HA ALA A 18 -9.801 1.138 -5.054 1.00 0.97 H new ATOM 0 HB1 ALA A 18 -10.640 2.834 -3.444 1.00 1.11 H new ATOM 0 HB2 ALA A 18 -8.958 2.368 -3.097 1.00 1.11 H new ATOM 0 HB3 ALA A 18 -9.304 3.913 -3.909 1.00 1.11 H new ATOM 282 N GLY A 19 -9.958 3.537 -7.107 1.00 1.13 N ATOM 283 CA GLY A 19 -10.799 4.294 -8.022 1.00 1.48 C ATOM 284 C GLY A 19 -11.166 5.607 -7.418 1.00 1.60 C ATOM 285 O GLY A 19 -12.070 6.310 -7.882 1.00 2.02 O ATOM 0 H GLY A 19 -8.958 3.581 -7.306 1.00 1.13 H new ATOM 0 HA2 GLY A 19 -10.273 4.453 -8.964 1.00 1.48 H new ATOM 0 HA3 GLY A 19 -11.701 3.727 -8.252 1.00 1.48 H new ATOM 289 N GLU A 20 -10.436 5.950 -6.403 1.00 2.22 N ATOM 290 CA GLU A 20 -10.647 7.129 -5.662 1.00 3.33 C ATOM 291 C GLU A 20 -10.118 8.314 -6.449 1.00 3.66 C ATOM 292 O GLU A 20 -8.967 8.357 -6.858 1.00 4.35 O ATOM 293 CB GLU A 20 -9.943 7.005 -4.296 1.00 4.13 C ATOM 294 CG GLU A 20 -10.007 8.235 -3.409 1.00 5.10 C ATOM 295 CD GLU A 20 -11.386 8.558 -2.932 1.00 5.65 C ATOM 296 OE1 GLU A 20 -12.231 8.922 -3.762 1.00 5.97 O ATOM 297 OE2 GLU A 20 -11.666 8.381 -1.755 1.00 6.03 O ATOM 0 H GLU A 20 -9.653 5.390 -6.066 1.00 2.22 H new ATOM 0 HA GLU A 20 -11.712 7.281 -5.485 1.00 3.33 H new ATOM 0 HB2 GLU A 20 -10.383 6.167 -3.756 1.00 4.13 H new ATOM 0 HB3 GLU A 20 -8.895 6.758 -4.469 1.00 4.13 H new ATOM 0 HG2 GLU A 20 -9.359 8.084 -2.546 1.00 5.10 H new ATOM 0 HG3 GLU A 20 -9.612 9.090 -3.958 1.00 5.10 H new ATOM 304 N THR A 21 -10.981 9.200 -6.754 1.00 3.56 N ATOM 305 CA THR A 21 -10.603 10.444 -7.362 1.00 4.12 C ATOM 306 C THR A 21 -11.116 11.572 -6.451 1.00 3.91 C ATOM 307 O THR A 21 -11.634 12.599 -6.896 1.00 4.42 O ATOM 308 CB THR A 21 -11.182 10.535 -8.786 1.00 4.95 C ATOM 309 OG1 THR A 21 -10.965 9.259 -9.440 1.00 5.36 O ATOM 310 CG2 THR A 21 -10.461 11.613 -9.590 1.00 5.71 C ATOM 0 H THR A 21 -11.983 9.097 -6.594 1.00 3.56 H new ATOM 0 HA THR A 21 -9.521 10.527 -7.463 1.00 4.12 H new ATOM 0 HB THR A 21 -12.242 10.782 -8.730 1.00 4.95 H new ATOM 0 HG1 THR A 21 -11.327 9.292 -10.350 1.00 5.36 H new ATOM 0 HG21 THR A 21 -10.884 11.662 -10.593 1.00 5.71 H new ATOM 0 HG22 THR A 21 -10.583 12.577 -9.097 1.00 5.71 H new ATOM 0 HG23 THR A 21 -9.400 11.370 -9.655 1.00 5.71 H new ATOM 318 N ASP A 22 -10.901 11.346 -5.159 1.00 3.55 N ATOM 319 CA ASP A 22 -11.336 12.207 -4.056 1.00 3.80 C ATOM 320 C ASP A 22 -12.850 12.348 -4.053 1.00 3.75 C ATOM 321 O ASP A 22 -13.415 13.311 -4.572 1.00 4.22 O ATOM 322 CB ASP A 22 -10.629 13.579 -4.017 1.00 4.39 C ATOM 323 CG ASP A 22 -10.944 14.385 -2.749 1.00 4.93 C ATOM 324 OD1 ASP A 22 -12.015 15.036 -2.674 1.00 5.42 O ATOM 325 OD2 ASP A 22 -10.098 14.410 -1.815 1.00 5.23 O ATOM 0 H ASP A 22 -10.396 10.521 -4.834 1.00 3.55 H new ATOM 0 HA ASP A 22 -11.031 11.708 -3.136 1.00 3.80 H new ATOM 0 HB2 ASP A 22 -9.552 13.428 -4.085 1.00 4.39 H new ATOM 0 HB3 ASP A 22 -10.926 14.158 -4.891 1.00 4.39 H new ATOM 330 N GLY A 23 -13.485 11.306 -3.606 1.00 3.52 N ATOM 331 CA GLY A 23 -14.911 11.285 -3.452 1.00 3.84 C ATOM 332 C GLY A 23 -15.262 10.848 -2.060 1.00 3.68 C ATOM 333 O GLY A 23 -16.357 10.372 -1.799 1.00 3.96 O ATOM 0 H GLY A 23 -13.024 10.437 -3.335 1.00 3.52 H new ATOM 0 HA2 GLY A 23 -15.322 12.275 -3.647 1.00 3.84 H new ATOM 0 HA3 GLY A 23 -15.355 10.606 -4.180 1.00 3.84 H new ATOM 337 N THR A 24 -14.300 11.002 -1.174 1.00 3.64 N ATOM 338 CA THR A 24 -14.390 10.671 0.240 1.00 3.82 C ATOM 339 C THR A 24 -14.687 9.188 0.515 1.00 3.09 C ATOM 340 O THR A 24 -15.437 8.850 1.438 1.00 3.70 O ATOM 341 CB THR A 24 -15.330 11.624 1.060 1.00 5.01 C ATOM 342 OG1 THR A 24 -16.683 11.619 0.557 1.00 5.50 O ATOM 343 CG2 THR A 24 -14.793 13.051 1.051 1.00 5.84 C ATOM 0 H THR A 24 -13.388 11.380 -1.429 1.00 3.64 H new ATOM 0 HA THR A 24 -13.382 10.851 0.614 1.00 3.82 H new ATOM 0 HB THR A 24 -15.346 11.245 2.082 1.00 5.01 H new ATOM 0 HG1 THR A 24 -16.772 10.930 -0.134 1.00 5.50 H new ATOM 0 HG21 THR A 24 -15.460 13.694 1.625 1.00 5.84 H new ATOM 0 HG22 THR A 24 -13.799 13.068 1.497 1.00 5.84 H new ATOM 0 HG23 THR A 24 -14.736 13.412 0.024 1.00 5.84 H new ATOM 351 N ASP A 25 -14.083 8.299 -0.259 1.00 2.19 N ATOM 352 CA ASP A 25 -14.215 6.871 0.021 1.00 1.95 C ATOM 353 C ASP A 25 -13.041 6.491 0.897 1.00 1.67 C ATOM 354 O ASP A 25 -13.163 5.738 1.858 1.00 2.10 O ATOM 355 CB ASP A 25 -14.260 6.024 -1.257 1.00 2.07 C ATOM 356 CG ASP A 25 -14.577 4.565 -0.960 1.00 2.73 C ATOM 357 OD1 ASP A 25 -15.742 4.224 -0.683 1.00 3.15 O ATOM 358 OD2 ASP A 25 -13.662 3.719 -1.032 1.00 3.29 O ATOM 0 H ASP A 25 -13.508 8.530 -1.069 1.00 2.19 H new ATOM 0 HA ASP A 25 -15.161 6.674 0.525 1.00 1.95 H new ATOM 0 HB2 ASP A 25 -15.012 6.428 -1.934 1.00 2.07 H new ATOM 0 HB3 ASP A 25 -13.301 6.090 -1.770 1.00 2.07 H new ATOM 363 N LEU A 26 -11.902 7.063 0.555 1.00 1.31 N ATOM 364 CA LEU A 26 -10.714 7.021 1.377 1.00 1.13 C ATOM 365 C LEU A 26 -10.234 8.454 1.473 1.00 1.22 C ATOM 366 O LEU A 26 -10.280 9.073 2.534 1.00 1.82 O ATOM 367 CB LEU A 26 -9.555 6.142 0.799 1.00 1.09 C ATOM 368 CG LEU A 26 -9.841 4.676 0.457 1.00 0.75 C ATOM 369 CD1 LEU A 26 -10.595 4.565 -0.848 1.00 1.61 C ATOM 370 CD2 LEU A 26 -8.549 3.883 0.393 1.00 1.49 C ATOM 0 H LEU A 26 -11.777 7.578 -0.317 1.00 1.31 H new ATOM 0 HA LEU A 26 -10.972 6.568 2.334 1.00 1.13 H new ATOM 0 HB2 LEU A 26 -9.193 6.628 -0.107 1.00 1.09 H new ATOM 0 HB3 LEU A 26 -8.737 6.159 1.519 1.00 1.09 H new ATOM 0 HG LEU A 26 -10.465 4.259 1.247 1.00 0.75 H new ATOM 0 HD11 LEU A 26 -10.786 3.515 -1.069 1.00 1.61 H new ATOM 0 HD12 LEU A 26 -11.543 5.097 -0.767 1.00 1.61 H new ATOM 0 HD13 LEU A 26 -10.000 5.002 -1.650 1.00 1.61 H new ATOM 0 HD21 LEU A 26 -8.771 2.844 0.149 1.00 1.49 H new ATOM 0 HD22 LEU A 26 -7.901 4.305 -0.375 1.00 1.49 H new ATOM 0 HD23 LEU A 26 -8.046 3.929 1.359 1.00 1.49 H new ATOM 382 N SER A 27 -9.817 8.987 0.311 1.00 1.09 N ATOM 383 CA SER A 27 -9.345 10.376 0.135 1.00 1.16 C ATOM 384 C SER A 27 -8.302 10.789 1.178 1.00 1.19 C ATOM 385 O SER A 27 -8.200 11.959 1.543 1.00 1.88 O ATOM 386 CB SER A 27 -10.530 11.308 0.166 1.00 1.49 C ATOM 387 OG SER A 27 -11.498 10.931 -0.815 1.00 1.72 O ATOM 0 H SER A 27 -9.798 8.451 -0.556 1.00 1.09 H new ATOM 0 HA SER A 27 -8.845 10.438 -0.832 1.00 1.16 H new ATOM 0 HB2 SER A 27 -10.985 11.293 1.157 1.00 1.49 H new ATOM 0 HB3 SER A 27 -10.199 12.330 -0.017 1.00 1.49 H new ATOM 0 HG SER A 27 -11.507 9.955 -0.907 1.00 1.72 H new ATOM 393 N GLY A 28 -7.508 9.843 1.619 1.00 0.90 N ATOM 394 CA GLY A 28 -6.538 10.153 2.615 1.00 1.11 C ATOM 395 C GLY A 28 -6.729 9.355 3.872 1.00 0.86 C ATOM 396 O GLY A 28 -5.757 8.968 4.503 1.00 1.32 O ATOM 0 H GLY A 28 -7.520 8.873 1.305 1.00 0.90 H new ATOM 0 HA2 GLY A 28 -5.541 9.965 2.217 1.00 1.11 H new ATOM 0 HA3 GLY A 28 -6.592 11.216 2.851 1.00 1.11 H new ATOM 400 N ASP A 29 -7.968 9.074 4.229 1.00 0.68 N ATOM 401 CA ASP A 29 -8.249 8.324 5.456 1.00 0.75 C ATOM 402 C ASP A 29 -8.254 6.836 5.216 1.00 0.61 C ATOM 403 O ASP A 29 -9.191 6.277 4.627 1.00 0.71 O ATOM 404 CB ASP A 29 -9.545 8.759 6.143 1.00 1.18 C ATOM 405 CG ASP A 29 -9.862 7.901 7.364 1.00 1.63 C ATOM 406 OD1 ASP A 29 -9.054 7.880 8.314 1.00 2.14 O ATOM 407 OD2 ASP A 29 -10.913 7.211 7.375 1.00 2.17 O ATOM 0 H ASP A 29 -8.795 9.347 3.698 1.00 0.68 H new ATOM 0 HA ASP A 29 -7.431 8.561 6.136 1.00 0.75 H new ATOM 0 HB2 ASP A 29 -9.462 9.803 6.445 1.00 1.18 H new ATOM 0 HB3 ASP A 29 -10.370 8.697 5.433 1.00 1.18 H new ATOM 412 N PHE A 30 -7.180 6.222 5.618 1.00 0.48 N ATOM 413 CA PHE A 30 -6.992 4.790 5.514 1.00 0.41 C ATOM 414 C PHE A 30 -5.902 4.300 6.485 1.00 0.34 C ATOM 415 O PHE A 30 -5.932 3.174 6.920 1.00 0.34 O ATOM 416 CB PHE A 30 -6.617 4.397 4.055 1.00 0.47 C ATOM 417 CG PHE A 30 -5.487 5.209 3.471 1.00 0.39 C ATOM 418 CD1 PHE A 30 -4.181 4.962 3.833 1.00 0.44 C ATOM 419 CD2 PHE A 30 -5.739 6.215 2.574 1.00 0.61 C ATOM 420 CE1 PHE A 30 -3.151 5.695 3.326 1.00 0.52 C ATOM 421 CE2 PHE A 30 -4.706 6.960 2.052 1.00 0.71 C ATOM 422 CZ PHE A 30 -3.406 6.692 2.438 1.00 0.60 C ATOM 0 H PHE A 30 -6.387 6.707 6.038 1.00 0.48 H new ATOM 0 HA PHE A 30 -7.933 4.310 5.784 1.00 0.41 H new ATOM 0 HB2 PHE A 30 -6.342 3.343 4.033 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -7.497 4.510 3.422 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -3.969 4.169 4.535 1.00 0.44 H new ATOM 0 HD2 PHE A 30 -6.755 6.424 2.275 1.00 0.61 H new ATOM 0 HE1 PHE A 30 -2.136 5.485 3.628 1.00 0.52 H new ATOM 0 HE2 PHE A 30 -4.910 7.750 1.344 1.00 0.71 H new ATOM 0 HZ PHE A 30 -2.592 7.275 2.034 1.00 0.60 H new ATOM 432 N LEU A 31 -4.973 5.202 6.828 1.00 0.36 N ATOM 433 CA LEU A 31 -3.724 4.910 7.555 1.00 0.36 C ATOM 434 C LEU A 31 -3.905 4.080 8.839 1.00 0.35 C ATOM 435 O LEU A 31 -3.125 3.147 9.102 1.00 0.37 O ATOM 436 CB LEU A 31 -2.994 6.228 7.867 1.00 0.44 C ATOM 437 CG LEU A 31 -1.610 6.121 8.506 1.00 0.51 C ATOM 438 CD1 LEU A 31 -0.618 5.505 7.537 1.00 0.52 C ATOM 439 CD2 LEU A 31 -1.130 7.485 8.976 1.00 0.64 C ATOM 0 H LEU A 31 -5.071 6.191 6.600 1.00 0.36 H new ATOM 0 HA LEU A 31 -3.127 4.282 6.893 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -2.895 6.789 6.937 1.00 0.44 H new ATOM 0 HB3 LEU A 31 -3.628 6.818 8.529 1.00 0.44 H new ATOM 0 HG LEU A 31 -1.684 5.468 9.376 1.00 0.51 H new ATOM 0 HD11 LEU A 31 0.361 5.438 8.012 1.00 0.52 H new ATOM 0 HD12 LEU A 31 -0.955 4.507 7.257 1.00 0.52 H new ATOM 0 HD13 LEU A 31 -0.547 6.127 6.645 1.00 0.52 H new ATOM 0 HD21 LEU A 31 -0.143 7.387 9.428 1.00 0.64 H new ATOM 0 HD22 LEU A 31 -1.074 8.164 8.125 1.00 0.64 H new ATOM 0 HD23 LEU A 31 -1.828 7.883 9.712 1.00 0.64 H new ATOM 451 N ASP A 32 -4.934 4.381 9.597 1.00 0.38 N ATOM 452 CA ASP A 32 -5.135 3.757 10.910 1.00 0.45 C ATOM 453 C ASP A 32 -6.015 2.524 10.807 1.00 0.41 C ATOM 454 O ASP A 32 -5.900 1.583 11.610 1.00 0.47 O ATOM 455 CB ASP A 32 -5.772 4.784 11.871 1.00 0.64 C ATOM 456 CG ASP A 32 -6.105 4.223 13.240 1.00 1.55 C ATOM 457 OD1 ASP A 32 -5.207 4.120 14.097 1.00 2.06 O ATOM 458 OD2 ASP A 32 -7.275 3.844 13.484 1.00 2.29 O ATOM 0 H ASP A 32 -5.654 5.055 9.337 1.00 0.38 H new ATOM 0 HA ASP A 32 -4.166 3.442 11.296 1.00 0.45 H new ATOM 0 HB2 ASP A 32 -5.090 5.626 11.991 1.00 0.64 H new ATOM 0 HB3 ASP A 32 -6.683 5.174 11.418 1.00 0.64 H new ATOM 463 N LEU A 33 -6.840 2.508 9.808 1.00 0.41 N ATOM 464 CA LEU A 33 -7.791 1.440 9.603 1.00 0.45 C ATOM 465 C LEU A 33 -7.170 0.318 8.786 1.00 0.44 C ATOM 466 O LEU A 33 -6.169 0.516 8.114 1.00 0.56 O ATOM 467 CB LEU A 33 -9.009 1.994 8.864 1.00 0.51 C ATOM 468 CG LEU A 33 -9.749 3.136 9.561 1.00 0.85 C ATOM 469 CD1 LEU A 33 -10.820 3.696 8.654 1.00 1.65 C ATOM 470 CD2 LEU A 33 -10.365 2.652 10.864 1.00 1.61 C ATOM 0 H LEU A 33 -6.880 3.240 9.099 1.00 0.41 H new ATOM 0 HA LEU A 33 -8.089 1.039 10.572 1.00 0.45 H new ATOM 0 HB2 LEU A 33 -8.687 2.341 7.882 1.00 0.51 H new ATOM 0 HB3 LEU A 33 -9.712 1.178 8.699 1.00 0.51 H new ATOM 0 HG LEU A 33 -9.033 3.926 9.787 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -11.339 4.508 9.163 1.00 1.65 H new ATOM 0 HD12 LEU A 33 -10.362 4.074 7.740 1.00 1.65 H new ATOM 0 HD13 LEU A 33 -11.533 2.910 8.404 1.00 1.65 H new ATOM 0 HD21 LEU A 33 -10.888 3.477 11.348 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -11.070 1.847 10.656 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -9.579 2.284 11.524 1.00 1.61 H new ATOM 482 N ARG A 34 -7.722 -0.866 8.890 1.00 0.45 N ATOM 483 CA ARG A 34 -7.317 -1.941 8.017 1.00 0.50 C ATOM 484 C ARG A 34 -7.953 -1.780 6.660 1.00 0.45 C ATOM 485 O ARG A 34 -8.982 -1.108 6.518 1.00 0.54 O ATOM 486 CB ARG A 34 -7.651 -3.326 8.558 1.00 0.71 C ATOM 487 CG ARG A 34 -6.569 -3.969 9.394 1.00 1.08 C ATOM 488 CD ARG A 34 -6.796 -5.461 9.423 1.00 1.18 C ATOM 489 NE ARG A 34 -5.648 -6.226 9.918 1.00 1.90 N ATOM 490 CZ ARG A 34 -5.204 -7.348 9.325 1.00 2.49 C ATOM 491 NH1 ARG A 34 -5.872 -7.876 8.307 1.00 2.61 N ATOM 492 NH2 ARG A 34 -4.105 -7.936 9.749 1.00 3.35 N ATOM 0 H ARG A 34 -8.447 -1.109 9.565 1.00 0.45 H new ATOM 0 HA ARG A 34 -6.231 -1.874 7.947 1.00 0.50 H new ATOM 0 HB2 ARG A 34 -8.558 -3.255 9.159 1.00 0.71 H new ATOM 0 HB3 ARG A 34 -7.876 -3.982 7.717 1.00 0.71 H new ATOM 0 HG2 ARG A 34 -5.587 -3.745 8.977 1.00 1.08 H new ATOM 0 HG3 ARG A 34 -6.585 -3.565 10.406 1.00 1.08 H new ATOM 0 HD2 ARG A 34 -7.661 -5.675 10.051 1.00 1.18 H new ATOM 0 HD3 ARG A 34 -7.040 -5.801 8.417 1.00 1.18 H new ATOM 0 HE ARG A 34 -5.163 -5.892 10.751 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -6.726 -7.430 7.971 1.00 2.61 H new ATOM 0 HH12 ARG A 34 -5.531 -8.727 7.860 1.00 2.61 H new ATOM 0 HH21 ARG A 34 -3.585 -7.541 10.532 1.00 3.35 H new ATOM 0 HH22 ARG A 34 -3.774 -8.787 9.294 1.00 3.35 H new ATOM 506 N PHE A 35 -7.349 -2.396 5.674 1.00 0.40 N ATOM 507 CA PHE A 35 -7.839 -2.399 4.301 1.00 0.40 C ATOM 508 C PHE A 35 -9.303 -2.850 4.241 1.00 0.46 C ATOM 509 O PHE A 35 -10.132 -2.258 3.556 1.00 0.49 O ATOM 510 CB PHE A 35 -6.966 -3.311 3.452 1.00 0.39 C ATOM 511 CG PHE A 35 -5.532 -2.922 3.474 1.00 0.35 C ATOM 512 CD1 PHE A 35 -5.073 -1.859 2.718 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.642 -3.608 4.269 1.00 0.35 C ATOM 514 CE1 PHE A 35 -3.746 -1.495 2.755 1.00 0.49 C ATOM 515 CE2 PHE A 35 -3.325 -3.251 4.313 1.00 0.41 C ATOM 516 CZ PHE A 35 -2.871 -2.194 3.555 1.00 0.48 C ATOM 0 H PHE A 35 -6.484 -2.923 5.797 1.00 0.40 H new ATOM 0 HA PHE A 35 -7.788 -1.383 3.908 1.00 0.40 H new ATOM 0 HB2 PHE A 35 -7.065 -4.336 3.809 1.00 0.39 H new ATOM 0 HB3 PHE A 35 -7.326 -3.296 2.423 1.00 0.39 H new ATOM 0 HD1 PHE A 35 -5.762 -1.310 2.093 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.990 -4.439 4.865 1.00 0.35 H new ATOM 0 HE1 PHE A 35 -3.394 -0.666 2.160 1.00 0.49 H new ATOM 0 HE2 PHE A 35 -2.639 -3.798 4.943 1.00 0.41 H new ATOM 0 HZ PHE A 35 -1.828 -1.914 3.589 1.00 0.48 H new ATOM 526 N GLU A 36 -9.592 -3.896 4.959 1.00 0.58 N ATOM 527 CA GLU A 36 -10.938 -4.449 5.086 1.00 0.74 C ATOM 528 C GLU A 36 -11.972 -3.398 5.557 1.00 0.75 C ATOM 529 O GLU A 36 -13.154 -3.493 5.233 1.00 0.84 O ATOM 530 CB GLU A 36 -10.966 -5.655 6.044 1.00 0.92 C ATOM 531 CG GLU A 36 -10.010 -6.798 5.697 1.00 1.14 C ATOM 532 CD GLU A 36 -8.578 -6.566 6.137 1.00 1.56 C ATOM 533 OE1 GLU A 36 -7.850 -5.813 5.477 1.00 2.26 O ATOM 534 OE2 GLU A 36 -8.161 -7.155 7.155 1.00 1.93 O ATOM 0 H GLU A 36 -8.891 -4.412 5.491 1.00 0.58 H new ATOM 0 HA GLU A 36 -11.219 -4.777 4.085 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -10.733 -5.303 7.049 1.00 0.92 H new ATOM 0 HB3 GLU A 36 -11.981 -6.050 6.072 1.00 0.92 H new ATOM 0 HG2 GLU A 36 -10.376 -7.715 6.158 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -10.026 -6.955 4.619 1.00 1.14 H new ATOM 541 N ASP A 37 -11.518 -2.393 6.293 1.00 0.70 N ATOM 542 CA ASP A 37 -12.410 -1.359 6.837 1.00 0.77 C ATOM 543 C ASP A 37 -12.606 -0.266 5.795 1.00 0.71 C ATOM 544 O ASP A 37 -13.648 0.371 5.727 1.00 0.80 O ATOM 545 CB ASP A 37 -11.797 -0.742 8.111 1.00 0.85 C ATOM 546 CG ASP A 37 -12.776 0.097 8.931 1.00 1.48 C ATOM 547 OD1 ASP A 37 -13.138 1.221 8.526 1.00 2.27 O ATOM 548 OD2 ASP A 37 -13.177 -0.367 10.027 1.00 1.64 O ATOM 0 H ASP A 37 -10.535 -2.265 6.532 1.00 0.70 H new ATOM 0 HA ASP A 37 -13.369 -1.813 7.087 1.00 0.77 H new ATOM 0 HB2 ASP A 37 -11.408 -1.543 8.739 1.00 0.85 H new ATOM 0 HB3 ASP A 37 -10.949 -0.118 7.828 1.00 0.85 H new ATOM 553 N ILE A 38 -11.611 -0.110 4.932 1.00 0.62 N ATOM 554 CA ILE A 38 -11.639 0.931 3.910 1.00 0.65 C ATOM 555 C ILE A 38 -12.119 0.385 2.568 1.00 0.69 C ATOM 556 O ILE A 38 -11.888 0.991 1.517 1.00 0.75 O ATOM 557 CB ILE A 38 -10.256 1.637 3.720 1.00 0.61 C ATOM 558 CG1 ILE A 38 -9.172 0.620 3.296 1.00 0.53 C ATOM 559 CG2 ILE A 38 -9.854 2.362 5.000 1.00 0.67 C ATOM 560 CD1 ILE A 38 -7.806 1.208 3.028 1.00 0.56 C ATOM 0 H ILE A 38 -10.773 -0.691 4.918 1.00 0.62 H new ATOM 0 HA ILE A 38 -12.347 1.677 4.271 1.00 0.65 H new ATOM 0 HB ILE A 38 -10.350 2.374 2.922 1.00 0.61 H new ATOM 0 HG12 ILE A 38 -9.078 -0.134 4.078 1.00 0.53 H new ATOM 0 HG13 ILE A 38 -9.511 0.106 2.397 1.00 0.53 H new ATOM 0 HG21 ILE A 38 -8.890 2.849 4.855 1.00 0.67 H new ATOM 0 HG22 ILE A 38 -10.606 3.112 5.245 1.00 0.67 H new ATOM 0 HG23 ILE A 38 -9.778 1.644 5.816 1.00 0.67 H new ATOM 0 HD11 ILE A 38 -7.118 0.414 2.738 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -7.876 1.939 2.223 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -7.437 1.696 3.930 1.00 0.56 H new ATOM 572 N GLY A 39 -12.861 -0.707 2.624 1.00 0.72 N ATOM 573 CA GLY A 39 -13.434 -1.316 1.432 1.00 0.81 C ATOM 574 C GLY A 39 -12.402 -1.852 0.463 1.00 0.67 C ATOM 575 O GLY A 39 -12.576 -1.763 -0.750 1.00 0.72 O ATOM 0 H GLY A 39 -13.084 -1.196 3.491 1.00 0.72 H new ATOM 0 HA2 GLY A 39 -14.094 -2.130 1.733 1.00 0.81 H new ATOM 0 HA3 GLY A 39 -14.051 -0.578 0.919 1.00 0.81 H new ATOM 579 N TYR A 40 -11.333 -2.386 0.977 1.00 0.57 N ATOM 580 CA TYR A 40 -10.294 -2.914 0.137 1.00 0.54 C ATOM 581 C TYR A 40 -10.382 -4.399 -0.018 1.00 0.64 C ATOM 582 O TYR A 40 -10.286 -5.146 0.964 1.00 0.79 O ATOM 583 CB TYR A 40 -8.927 -2.526 0.663 1.00 0.55 C ATOM 584 CG TYR A 40 -8.219 -1.566 -0.206 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.921 -0.596 -0.866 1.00 0.71 C ATOM 586 CD2 TYR A 40 -6.850 -1.618 -0.364 1.00 0.68 C ATOM 587 CE1 TYR A 40 -8.290 0.303 -1.660 1.00 0.87 C ATOM 588 CE2 TYR A 40 -6.207 -0.719 -1.155 1.00 0.82 C ATOM 589 CZ TYR A 40 -6.883 0.183 -1.828 1.00 0.89 C ATOM 590 OH TYR A 40 -6.314 1.143 -2.596 1.00 1.12 O ATOM 0 H TYR A 40 -11.156 -2.468 1.978 1.00 0.57 H new ATOM 0 HA TYR A 40 -10.437 -2.474 -0.850 1.00 0.54 H new ATOM 0 HB2 TYR A 40 -9.037 -2.093 1.657 1.00 0.55 H new ATOM 0 HB3 TYR A 40 -8.319 -3.424 0.772 1.00 0.55 H new ATOM 0 HD1 TYR A 40 -9.994 -0.545 -0.753 1.00 0.71 H new ATOM 0 HD2 TYR A 40 -6.282 -2.382 0.147 1.00 0.68 H new ATOM 0 HE1 TYR A 40 -8.842 1.090 -2.152 1.00 0.87 H new ATOM 0 HE2 TYR A 40 -5.130 -0.747 -1.231 1.00 0.82 H new ATOM 0 HH TYR A 40 -5.424 0.849 -2.882 1.00 1.12 H new ATOM 600 N ASP A 41 -10.644 -4.832 -1.220 1.00 0.68 N ATOM 601 CA ASP A 41 -10.569 -6.234 -1.537 1.00 0.90 C ATOM 602 C ASP A 41 -9.199 -6.568 -2.058 1.00 1.04 C ATOM 603 O ASP A 41 -8.368 -5.667 -2.249 1.00 1.93 O ATOM 604 CB ASP A 41 -11.660 -6.705 -2.499 1.00 1.00 C ATOM 605 CG ASP A 41 -13.010 -6.781 -1.851 1.00 1.48 C ATOM 606 OD1 ASP A 41 -13.199 -7.635 -0.954 1.00 2.20 O ATOM 607 OD2 ASP A 41 -13.916 -6.011 -2.228 1.00 2.00 O ATOM 0 H ASP A 41 -10.913 -4.233 -2.000 1.00 0.68 H new ATOM 0 HA ASP A 41 -10.748 -6.779 -0.610 1.00 0.90 H new ATOM 0 HB2 ASP A 41 -11.707 -6.024 -3.349 1.00 1.00 H new ATOM 0 HB3 ASP A 41 -11.394 -7.687 -2.891 1.00 1.00 H new ATOM 612 N SER A 42 -8.981 -7.842 -2.294 1.00 0.72 N ATOM 613 CA SER A 42 -7.707 -8.403 -2.719 1.00 0.68 C ATOM 614 C SER A 42 -7.018 -7.633 -3.888 1.00 0.54 C ATOM 615 O SER A 42 -5.884 -7.169 -3.750 1.00 0.51 O ATOM 616 CB SER A 42 -7.922 -9.887 -3.055 1.00 0.82 C ATOM 617 OG SER A 42 -9.022 -10.047 -4.043 1.00 0.86 O ATOM 0 H SER A 42 -9.711 -8.547 -2.193 1.00 0.72 H new ATOM 0 HA SER A 42 -7.005 -8.297 -1.892 1.00 0.68 H new ATOM 0 HB2 SER A 42 -7.002 -10.312 -3.456 1.00 0.82 H new ATOM 0 HB3 SER A 42 -8.159 -10.440 -2.146 1.00 0.82 H new ATOM 622 N LEU A 43 -7.725 -7.453 -4.993 1.00 0.52 N ATOM 623 CA LEU A 43 -7.156 -6.833 -6.185 1.00 0.48 C ATOM 624 C LEU A 43 -6.760 -5.378 -5.913 1.00 0.39 C ATOM 625 O LEU A 43 -5.632 -4.975 -6.199 1.00 0.37 O ATOM 626 CB LEU A 43 -8.145 -6.971 -7.381 1.00 0.64 C ATOM 627 CG LEU A 43 -7.656 -6.583 -8.806 1.00 0.83 C ATOM 628 CD1 LEU A 43 -7.509 -5.076 -8.998 1.00 1.64 C ATOM 629 CD2 LEU A 43 -6.350 -7.296 -9.133 1.00 1.57 C ATOM 0 H LEU A 43 -8.702 -7.729 -5.091 1.00 0.52 H new ATOM 0 HA LEU A 43 -6.239 -7.355 -6.457 1.00 0.48 H new ATOM 0 HB2 LEU A 43 -8.477 -8.009 -7.417 1.00 0.64 H new ATOM 0 HB3 LEU A 43 -9.022 -6.364 -7.156 1.00 0.64 H new ATOM 0 HG LEU A 43 -8.429 -6.909 -9.502 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -7.165 -4.870 -10.012 1.00 1.64 H new ATOM 0 HD12 LEU A 43 -8.473 -4.593 -8.837 1.00 1.64 H new ATOM 0 HD13 LEU A 43 -6.784 -4.687 -8.283 1.00 1.64 H new ATOM 0 HD21 LEU A 43 -6.022 -7.014 -10.133 1.00 1.57 H new ATOM 0 HD22 LEU A 43 -5.588 -7.011 -8.407 1.00 1.57 H new ATOM 0 HD23 LEU A 43 -6.504 -8.374 -9.093 1.00 1.57 H new ATOM 641 N ALA A 44 -7.666 -4.610 -5.341 1.00 0.41 N ATOM 642 CA ALA A 44 -7.397 -3.212 -5.043 1.00 0.39 C ATOM 643 C ALA A 44 -6.238 -3.076 -4.062 1.00 0.34 C ATOM 644 O ALA A 44 -5.403 -2.171 -4.192 1.00 0.35 O ATOM 645 CB ALA A 44 -8.639 -2.533 -4.494 1.00 0.49 C ATOM 0 H ALA A 44 -8.597 -4.928 -5.072 1.00 0.41 H new ATOM 0 HA ALA A 44 -7.115 -2.718 -5.973 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -8.417 -1.488 -4.277 1.00 0.49 H new ATOM 0 HB2 ALA A 44 -9.440 -2.588 -5.231 1.00 0.49 H new ATOM 0 HB3 ALA A 44 -8.953 -3.034 -3.579 1.00 0.49 H new ATOM 651 N LEU A 45 -6.167 -4.001 -3.114 1.00 0.37 N ATOM 652 CA LEU A 45 -5.127 -4.001 -2.098 1.00 0.42 C ATOM 653 C LEU A 45 -3.765 -4.181 -2.776 1.00 0.39 C ATOM 654 O LEU A 45 -2.857 -3.360 -2.623 1.00 0.43 O ATOM 655 CB LEU A 45 -5.350 -5.172 -1.120 1.00 0.54 C ATOM 656 CG LEU A 45 -4.873 -5.001 0.338 1.00 0.57 C ATOM 657 CD1 LEU A 45 -4.767 -6.329 1.023 1.00 0.75 C ATOM 658 CD2 LEU A 45 -3.578 -4.242 0.464 1.00 0.94 C ATOM 0 H LEU A 45 -6.830 -4.772 -3.029 1.00 0.37 H new ATOM 0 HA LEU A 45 -5.158 -3.058 -1.553 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -6.418 -5.390 -1.098 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -4.854 -6.050 -1.533 1.00 0.54 H new ATOM 0 HG LEU A 45 -5.634 -4.397 0.832 1.00 0.57 H new ATOM 0 HD11 LEU A 45 -4.429 -6.183 2.049 1.00 0.75 H new ATOM 0 HD12 LEU A 45 -5.743 -6.815 1.028 1.00 0.75 H new ATOM 0 HD13 LEU A 45 -4.052 -6.957 0.491 1.00 0.75 H new ATOM 0 HD21 LEU A 45 -3.305 -4.161 1.516 1.00 0.94 H new ATOM 0 HD22 LEU A 45 -2.792 -4.771 -0.075 1.00 0.94 H new ATOM 0 HD23 LEU A 45 -3.699 -3.244 0.042 1.00 0.94 H new ATOM 670 N MET A 46 -3.652 -5.229 -3.542 1.00 0.36 N ATOM 671 CA MET A 46 -2.399 -5.574 -4.199 1.00 0.41 C ATOM 672 C MET A 46 -1.976 -4.546 -5.234 1.00 0.39 C ATOM 673 O MET A 46 -0.800 -4.269 -5.360 1.00 0.49 O ATOM 674 CB MET A 46 -2.464 -6.971 -4.813 1.00 0.43 C ATOM 675 CG MET A 46 -3.417 -7.126 -5.979 1.00 0.34 C ATOM 676 SD MET A 46 -2.706 -6.675 -7.588 1.00 0.73 S ATOM 677 CE MET A 46 -1.333 -7.821 -7.689 1.00 1.38 C ATOM 0 H MET A 46 -4.418 -5.874 -3.736 1.00 0.36 H new ATOM 0 HA MET A 46 -1.633 -5.573 -3.423 1.00 0.41 H new ATOM 0 HB2 MET A 46 -1.464 -7.250 -5.144 1.00 0.43 H new ATOM 0 HB3 MET A 46 -2.751 -7.678 -4.035 1.00 0.43 H new ATOM 0 HG2 MET A 46 -3.756 -8.161 -6.022 1.00 0.34 H new ATOM 0 HG3 MET A 46 -4.298 -6.510 -5.798 1.00 0.34 H new ATOM 0 HE1 MET A 46 -1.079 -7.993 -8.735 1.00 1.38 H new ATOM 0 HE2 MET A 46 -0.471 -7.402 -7.170 1.00 1.38 H new ATOM 0 HE3 MET A 46 -1.613 -8.766 -7.224 1.00 1.38 H new ATOM 687 N GLU A 47 -2.944 -3.955 -5.938 1.00 0.31 N ATOM 688 CA GLU A 47 -2.648 -2.988 -6.991 1.00 0.37 C ATOM 689 C GLU A 47 -2.026 -1.727 -6.380 1.00 0.34 C ATOM 690 O GLU A 47 -1.213 -1.038 -7.008 1.00 0.38 O ATOM 691 CB GLU A 47 -3.917 -2.683 -7.805 1.00 0.44 C ATOM 692 CG GLU A 47 -3.670 -1.882 -9.067 1.00 0.62 C ATOM 693 CD GLU A 47 -4.904 -1.727 -9.921 1.00 0.99 C ATOM 694 OE1 GLU A 47 -5.654 -0.737 -9.743 1.00 1.76 O ATOM 695 OE2 GLU A 47 -5.128 -2.572 -10.819 1.00 1.45 O ATOM 0 H GLU A 47 -3.939 -4.131 -5.796 1.00 0.31 H new ATOM 0 HA GLU A 47 -1.919 -3.408 -7.683 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -4.397 -3.624 -8.074 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -4.617 -2.137 -7.173 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -3.297 -0.894 -8.796 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -2.889 -2.368 -9.652 1.00 0.62 H new ATOM 702 N THR A 48 -2.368 -1.492 -5.129 1.00 0.32 N ATOM 703 CA THR A 48 -1.810 -0.420 -4.340 1.00 0.33 C ATOM 704 C THR A 48 -0.302 -0.653 -4.207 1.00 0.32 C ATOM 705 O THR A 48 0.517 0.201 -4.591 1.00 0.35 O ATOM 706 CB THR A 48 -2.484 -0.453 -2.959 1.00 0.38 C ATOM 707 OG1 THR A 48 -3.890 -0.255 -3.125 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.920 0.593 -2.014 1.00 0.41 C ATOM 0 H THR A 48 -3.055 -2.053 -4.626 1.00 0.32 H new ATOM 0 HA THR A 48 -1.979 0.551 -4.805 1.00 0.33 H new ATOM 0 HB THR A 48 -2.285 -1.426 -2.510 1.00 0.38 H new ATOM 0 HG1 THR A 48 -4.321 -1.114 -3.316 1.00 0.49 H new ATOM 0 HG21 THR A 48 -2.430 0.528 -1.053 1.00 0.41 H new ATOM 0 HG22 THR A 48 -0.854 0.418 -1.872 1.00 0.41 H new ATOM 0 HG23 THR A 48 -2.071 1.586 -2.438 1.00 0.41 H new ATOM 716 N ALA A 49 0.050 -1.820 -3.684 1.00 0.32 N ATOM 717 CA ALA A 49 1.434 -2.213 -3.534 1.00 0.33 C ATOM 718 C ALA A 49 2.123 -2.236 -4.882 1.00 0.30 C ATOM 719 O ALA A 49 3.166 -1.637 -5.042 1.00 0.29 O ATOM 720 CB ALA A 49 1.533 -3.580 -2.894 1.00 0.40 C ATOM 0 H ALA A 49 -0.619 -2.516 -3.354 1.00 0.32 H new ATOM 0 HA ALA A 49 1.926 -1.483 -2.890 1.00 0.33 H new ATOM 0 HB1 ALA A 49 2.582 -3.858 -2.790 1.00 0.40 H new ATOM 0 HB2 ALA A 49 1.064 -3.556 -1.910 1.00 0.40 H new ATOM 0 HB3 ALA A 49 1.024 -4.313 -3.520 1.00 0.40 H new ATOM 726 N ALA A 50 1.482 -2.892 -5.848 1.00 0.31 N ATOM 727 CA ALA A 50 1.997 -3.092 -7.205 1.00 0.35 C ATOM 728 C ALA A 50 2.423 -1.800 -7.867 1.00 0.33 C ATOM 729 O ALA A 50 3.472 -1.741 -8.534 1.00 0.37 O ATOM 730 CB ALA A 50 0.953 -3.788 -8.054 1.00 0.44 C ATOM 0 H ALA A 50 0.563 -3.312 -5.706 1.00 0.31 H new ATOM 0 HA ALA A 50 2.887 -3.715 -7.121 1.00 0.35 H new ATOM 0 HB1 ALA A 50 1.342 -3.934 -9.062 1.00 0.44 H new ATOM 0 HB2 ALA A 50 0.713 -4.756 -7.614 1.00 0.44 H new ATOM 0 HB3 ALA A 50 0.052 -3.176 -8.098 1.00 0.44 H new ATOM 736 N ARG A 51 1.634 -0.758 -7.661 1.00 0.31 N ATOM 737 CA ARG A 51 1.917 0.536 -8.230 1.00 0.36 C ATOM 738 C ARG A 51 3.252 1.045 -7.684 1.00 0.30 C ATOM 739 O ARG A 51 4.125 1.490 -8.445 1.00 0.34 O ATOM 740 CB ARG A 51 0.788 1.523 -7.880 1.00 0.46 C ATOM 741 CG ARG A 51 0.883 2.861 -8.593 1.00 0.91 C ATOM 742 CD ARG A 51 0.761 2.674 -10.094 1.00 1.03 C ATOM 743 NE ARG A 51 0.865 3.930 -10.832 1.00 1.65 N ATOM 744 CZ ARG A 51 0.835 4.026 -12.163 1.00 2.23 C ATOM 745 NH1 ARG A 51 0.680 2.937 -12.914 1.00 2.58 N ATOM 746 NH2 ARG A 51 0.953 5.215 -12.741 1.00 3.05 N ATOM 0 H ARG A 51 0.785 -0.792 -7.097 1.00 0.31 H new ATOM 0 HA ARG A 51 1.980 0.452 -9.315 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -0.170 1.062 -8.123 1.00 0.46 H new ATOM 0 HB3 ARG A 51 0.794 1.697 -6.804 1.00 0.46 H new ATOM 0 HG2 ARG A 51 0.095 3.525 -8.238 1.00 0.91 H new ATOM 0 HG3 ARG A 51 1.834 3.339 -8.356 1.00 0.91 H new ATOM 0 HD2 ARG A 51 1.540 1.992 -10.435 1.00 1.03 H new ATOM 0 HD3 ARG A 51 -0.196 2.203 -10.320 1.00 1.03 H new ATOM 0 HE ARG A 51 0.967 4.791 -10.295 1.00 1.65 H new ATOM 0 HH11 ARG A 51 0.583 2.023 -12.473 1.00 2.58 H new ATOM 0 HH12 ARG A 51 0.658 3.017 -13.931 1.00 2.58 H new ATOM 0 HH21 ARG A 51 1.066 6.051 -12.168 1.00 3.05 H new ATOM 0 HH22 ARG A 51 0.931 5.292 -13.758 1.00 3.05 H new ATOM 760 N LEU A 52 3.406 0.949 -6.382 1.00 0.25 N ATOM 761 CA LEU A 52 4.618 1.364 -5.712 1.00 0.24 C ATOM 762 C LEU A 52 5.799 0.426 -6.024 1.00 0.22 C ATOM 763 O LEU A 52 6.916 0.898 -6.246 1.00 0.26 O ATOM 764 CB LEU A 52 4.382 1.504 -4.204 1.00 0.28 C ATOM 765 CG LEU A 52 3.315 2.539 -3.796 1.00 0.35 C ATOM 766 CD1 LEU A 52 3.121 2.555 -2.290 1.00 0.43 C ATOM 767 CD2 LEU A 52 3.691 3.930 -4.296 1.00 0.41 C ATOM 0 H LEU A 52 2.691 0.579 -5.756 1.00 0.25 H new ATOM 0 HA LEU A 52 4.893 2.345 -6.099 1.00 0.24 H new ATOM 0 HB2 LEU A 52 4.091 0.531 -3.807 1.00 0.28 H new ATOM 0 HB3 LEU A 52 5.325 1.773 -3.729 1.00 0.28 H new ATOM 0 HG LEU A 52 2.373 2.247 -4.260 1.00 0.35 H new ATOM 0 HD11 LEU A 52 2.363 3.294 -2.029 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.798 1.569 -1.954 1.00 0.43 H new ATOM 0 HD13 LEU A 52 4.062 2.813 -1.805 1.00 0.43 H new ATOM 0 HD21 LEU A 52 2.924 4.644 -3.997 1.00 0.41 H new ATOM 0 HD22 LEU A 52 4.648 4.225 -3.866 1.00 0.41 H new ATOM 0 HD23 LEU A 52 3.770 3.917 -5.383 1.00 0.41 H new ATOM 779 N GLU A 53 5.526 -0.897 -6.078 1.00 0.20 N ATOM 780 CA GLU A 53 6.553 -1.921 -6.355 1.00 0.25 C ATOM 781 C GLU A 53 7.282 -1.595 -7.634 1.00 0.29 C ATOM 782 O GLU A 53 8.498 -1.348 -7.640 1.00 0.32 O ATOM 783 CB GLU A 53 5.947 -3.328 -6.571 1.00 0.28 C ATOM 784 CG GLU A 53 5.220 -3.979 -5.418 1.00 0.30 C ATOM 785 CD GLU A 53 4.767 -5.384 -5.807 1.00 0.36 C ATOM 786 OE1 GLU A 53 3.723 -5.525 -6.481 1.00 0.55 O ATOM 787 OE2 GLU A 53 5.412 -6.368 -5.403 1.00 0.50 O ATOM 0 H GLU A 53 4.593 -1.281 -5.931 1.00 0.20 H new ATOM 0 HA GLU A 53 7.210 -1.921 -5.485 1.00 0.25 H new ATOM 0 HB2 GLU A 53 5.253 -3.266 -7.409 1.00 0.28 H new ATOM 0 HB3 GLU A 53 6.754 -3.995 -6.874 1.00 0.28 H new ATOM 0 HG2 GLU A 53 5.874 -4.028 -4.547 1.00 0.30 H new ATOM 0 HG3 GLU A 53 4.357 -3.376 -5.135 1.00 0.30 H new ATOM 794 N SER A 54 6.511 -1.541 -8.700 1.00 0.35 N ATOM 795 CA SER A 54 7.032 -1.376 -10.037 1.00 0.46 C ATOM 796 C SER A 54 7.750 -0.037 -10.211 1.00 0.42 C ATOM 797 O SER A 54 8.757 0.038 -10.913 1.00 0.46 O ATOM 798 CB SER A 54 5.905 -1.542 -11.055 1.00 0.61 C ATOM 799 OG SER A 54 6.380 -1.585 -12.397 1.00 1.51 O ATOM 0 H SER A 54 5.494 -1.611 -8.660 1.00 0.35 H new ATOM 0 HA SER A 54 7.779 -2.151 -10.210 1.00 0.46 H new ATOM 0 HB2 SER A 54 5.357 -2.459 -10.838 1.00 0.61 H new ATOM 0 HB3 SER A 54 5.201 -0.717 -10.949 1.00 0.61 H new ATOM 0 HG SER A 54 5.622 -1.694 -13.009 1.00 1.51 H new ATOM 805 N ARG A 55 7.272 1.012 -9.542 1.00 0.40 N ATOM 806 CA ARG A 55 7.910 2.312 -9.675 1.00 0.45 C ATOM 807 C ARG A 55 9.331 2.316 -9.091 1.00 0.43 C ATOM 808 O ARG A 55 10.240 2.920 -9.659 1.00 0.49 O ATOM 809 CB ARG A 55 7.080 3.463 -9.058 1.00 0.54 C ATOM 810 CG ARG A 55 7.834 4.791 -9.117 1.00 0.70 C ATOM 811 CD ARG A 55 7.121 5.960 -8.466 1.00 1.09 C ATOM 812 NE ARG A 55 8.083 7.055 -8.289 1.00 1.64 N ATOM 813 CZ ARG A 55 7.861 8.254 -7.751 1.00 2.34 C ATOM 814 NH1 ARG A 55 6.629 8.682 -7.481 1.00 2.65 N ATOM 815 NH2 ARG A 55 8.901 9.042 -7.520 1.00 3.15 N ATOM 0 H ARG A 55 6.465 0.986 -8.918 1.00 0.40 H new ATOM 0 HA ARG A 55 7.972 2.494 -10.748 1.00 0.45 H new ATOM 0 HB2 ARG A 55 6.134 3.557 -9.591 1.00 0.54 H new ATOM 0 HB3 ARG A 55 6.840 3.225 -8.022 1.00 0.54 H new ATOM 0 HG2 ARG A 55 8.804 4.663 -8.637 1.00 0.70 H new ATOM 0 HG3 ARG A 55 8.026 5.037 -10.161 1.00 0.70 H new ATOM 0 HD2 ARG A 55 6.286 6.286 -9.086 1.00 1.09 H new ATOM 0 HD3 ARG A 55 6.706 5.662 -7.503 1.00 1.09 H new ATOM 0 HE ARG A 55 9.033 6.877 -8.616 1.00 1.64 H new ATOM 0 HH11 ARG A 55 5.826 8.087 -7.686 1.00 2.65 H new ATOM 0 HH12 ARG A 55 6.488 9.604 -7.069 1.00 2.65 H new ATOM 0 HH21 ARG A 55 9.842 8.726 -7.753 1.00 3.15 H new ATOM 0 HH22 ARG A 55 8.760 9.965 -7.109 1.00 3.15 H new ATOM 829 N TYR A 56 9.529 1.635 -7.983 1.00 0.40 N ATOM 830 CA TYR A 56 10.823 1.688 -7.319 1.00 0.48 C ATOM 831 C TYR A 56 11.676 0.456 -7.589 1.00 0.49 C ATOM 832 O TYR A 56 12.774 0.326 -7.051 1.00 0.63 O ATOM 833 CB TYR A 56 10.661 1.951 -5.824 1.00 0.57 C ATOM 834 CG TYR A 56 9.872 3.218 -5.531 1.00 0.62 C ATOM 835 CD1 TYR A 56 10.413 4.472 -5.766 1.00 0.83 C ATOM 836 CD2 TYR A 56 8.592 3.151 -5.007 1.00 0.58 C ATOM 837 CE1 TYR A 56 9.702 5.620 -5.486 1.00 0.94 C ATOM 838 CE2 TYR A 56 7.872 4.293 -4.722 1.00 0.69 C ATOM 839 CZ TYR A 56 8.428 5.538 -5.031 1.00 0.87 C ATOM 840 OH TYR A 56 7.722 6.672 -4.674 1.00 1.01 O ATOM 0 H TYR A 56 8.830 1.049 -7.527 1.00 0.40 H new ATOM 0 HA TYR A 56 11.366 2.529 -7.751 1.00 0.48 H new ATOM 0 HB2 TYR A 56 10.159 1.101 -5.362 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.646 2.027 -5.364 1.00 0.57 H new ATOM 0 HD1 TYR A 56 11.409 4.552 -6.176 1.00 0.83 H new ATOM 0 HD2 TYR A 56 8.148 2.185 -4.817 1.00 0.58 H new ATOM 0 HE1 TYR A 56 10.162 6.587 -5.630 1.00 0.94 H new ATOM 0 HE2 TYR A 56 6.895 4.226 -4.267 1.00 0.69 H new ATOM 0 HH TYR A 56 6.766 6.461 -4.627 1.00 1.01 H new ATOM 850 N GLY A 57 11.174 -0.433 -8.426 1.00 0.42 N ATOM 851 CA GLY A 57 11.928 -1.616 -8.824 1.00 0.47 C ATOM 852 C GLY A 57 12.034 -2.655 -7.726 1.00 0.48 C ATOM 853 O GLY A 57 12.994 -3.436 -7.680 1.00 0.64 O ATOM 0 H GLY A 57 10.247 -0.362 -8.846 1.00 0.42 H new ATOM 0 HA2 GLY A 57 11.452 -2.066 -9.696 1.00 0.47 H new ATOM 0 HA3 GLY A 57 12.930 -1.315 -9.128 1.00 0.47 H new ATOM 857 N VAL A 58 11.062 -2.672 -6.849 1.00 0.37 N ATOM 858 CA VAL A 58 11.045 -3.615 -5.747 1.00 0.39 C ATOM 859 C VAL A 58 9.818 -4.497 -5.851 1.00 0.37 C ATOM 860 O VAL A 58 8.992 -4.280 -6.734 1.00 0.39 O ATOM 861 CB VAL A 58 11.093 -2.920 -4.354 1.00 0.47 C ATOM 862 CG1 VAL A 58 12.404 -2.174 -4.175 1.00 0.61 C ATOM 863 CG2 VAL A 58 9.911 -1.965 -4.173 1.00 0.50 C ATOM 0 H VAL A 58 10.263 -2.039 -6.873 1.00 0.37 H new ATOM 0 HA VAL A 58 11.948 -4.220 -5.825 1.00 0.39 H new ATOM 0 HB VAL A 58 11.024 -3.695 -3.591 1.00 0.47 H new ATOM 0 HG11 VAL A 58 12.419 -1.695 -3.196 1.00 0.61 H new ATOM 0 HG12 VAL A 58 13.235 -2.876 -4.249 1.00 0.61 H new ATOM 0 HG13 VAL A 58 12.500 -1.415 -4.952 1.00 0.61 H new ATOM 0 HG21 VAL A 58 9.971 -1.494 -3.192 1.00 0.50 H new ATOM 0 HG22 VAL A 58 9.942 -1.197 -4.946 1.00 0.50 H new ATOM 0 HG23 VAL A 58 8.978 -2.522 -4.252 1.00 0.50 H new ATOM 873 N SER A 59 9.688 -5.480 -4.995 1.00 0.42 N ATOM 874 CA SER A 59 8.512 -6.305 -5.019 1.00 0.50 C ATOM 875 C SER A 59 8.204 -6.852 -3.622 1.00 0.48 C ATOM 876 O SER A 59 9.118 -7.097 -2.825 1.00 0.61 O ATOM 877 CB SER A 59 8.664 -7.442 -6.048 1.00 0.68 C ATOM 878 OG SER A 59 7.411 -8.074 -6.310 1.00 1.55 O ATOM 0 H SER A 59 10.375 -5.725 -4.282 1.00 0.42 H new ATOM 0 HA SER A 59 7.666 -5.690 -5.327 1.00 0.50 H new ATOM 0 HB2 SER A 59 9.074 -7.043 -6.976 1.00 0.68 H new ATOM 0 HB3 SER A 59 9.375 -8.180 -5.676 1.00 0.68 H new ATOM 0 HG SER A 59 6.683 -7.504 -5.985 1.00 1.55 H new ATOM 884 N ILE A 60 6.935 -7.008 -3.337 1.00 0.42 N ATOM 885 CA ILE A 60 6.451 -7.562 -2.090 1.00 0.43 C ATOM 886 C ILE A 60 6.011 -9.003 -2.338 1.00 0.48 C ATOM 887 O ILE A 60 5.409 -9.283 -3.372 1.00 0.51 O ATOM 888 CB ILE A 60 5.213 -6.762 -1.572 1.00 0.39 C ATOM 889 CG1 ILE A 60 5.574 -5.303 -1.296 1.00 0.42 C ATOM 890 CG2 ILE A 60 4.596 -7.410 -0.328 1.00 0.44 C ATOM 891 CD1 ILE A 60 4.403 -4.486 -0.808 1.00 0.50 C ATOM 0 H ILE A 60 6.188 -6.747 -3.981 1.00 0.42 H new ATOM 0 HA ILE A 60 7.249 -7.510 -1.350 1.00 0.43 H new ATOM 0 HB ILE A 60 4.464 -6.786 -2.363 1.00 0.39 H new ATOM 0 HG12 ILE A 60 6.370 -5.266 -0.552 1.00 0.42 H new ATOM 0 HG13 ILE A 60 5.968 -4.854 -2.207 1.00 0.42 H new ATOM 0 HG21 ILE A 60 3.738 -6.823 0.000 1.00 0.44 H new ATOM 0 HG22 ILE A 60 4.272 -8.423 -0.568 1.00 0.44 H new ATOM 0 HG23 ILE A 60 5.338 -7.446 0.470 1.00 0.44 H new ATOM 0 HD11 ILE A 60 4.724 -3.460 -0.630 1.00 0.50 H new ATOM 0 HD12 ILE A 60 3.615 -4.494 -1.561 1.00 0.50 H new ATOM 0 HD13 ILE A 60 4.023 -4.913 0.120 1.00 0.50 H new ATOM 903 N PRO A 61 6.338 -9.941 -1.432 1.00 0.55 N ATOM 904 CA PRO A 61 5.832 -11.316 -1.514 1.00 0.61 C ATOM 905 C PRO A 61 4.300 -11.328 -1.557 1.00 0.52 C ATOM 906 O PRO A 61 3.640 -10.633 -0.754 1.00 0.43 O ATOM 907 CB PRO A 61 6.319 -11.944 -0.211 1.00 0.69 C ATOM 908 CG PRO A 61 7.525 -11.164 0.149 1.00 0.75 C ATOM 909 CD PRO A 61 7.249 -9.758 -0.288 1.00 0.63 C ATOM 0 HA PRO A 61 6.172 -11.840 -2.407 1.00 0.61 H new ATOM 0 HB2 PRO A 61 5.559 -11.882 0.568 1.00 0.69 H new ATOM 0 HB3 PRO A 61 6.554 -13.000 -0.343 1.00 0.69 H new ATOM 0 HG2 PRO A 61 7.714 -11.210 1.221 1.00 0.75 H new ATOM 0 HG3 PRO A 61 8.410 -11.561 -0.348 1.00 0.75 H new ATOM 0 HD2 PRO A 61 6.787 -9.171 0.506 1.00 0.63 H new ATOM 0 HD3 PRO A 61 8.162 -9.239 -0.578 1.00 0.63 H new ATOM 917 N ASP A 62 3.746 -12.119 -2.466 1.00 0.58 N ATOM 918 CA ASP A 62 2.292 -12.194 -2.699 1.00 0.57 C ATOM 919 C ASP A 62 1.541 -12.510 -1.427 1.00 0.48 C ATOM 920 O ASP A 62 0.517 -11.893 -1.130 1.00 0.49 O ATOM 921 CB ASP A 62 1.922 -13.252 -3.766 1.00 0.74 C ATOM 922 CG ASP A 62 2.358 -12.910 -5.180 1.00 1.16 C ATOM 923 OD1 ASP A 62 3.530 -13.173 -5.543 1.00 1.38 O ATOM 924 OD2 ASP A 62 1.530 -12.392 -5.974 1.00 1.91 O ATOM 0 H ASP A 62 4.288 -12.735 -3.072 1.00 0.58 H new ATOM 0 HA ASP A 62 2.000 -11.209 -3.062 1.00 0.57 H new ATOM 0 HB2 ASP A 62 2.370 -14.205 -3.483 1.00 0.74 H new ATOM 0 HB3 ASP A 62 0.841 -13.393 -3.758 1.00 0.74 H new ATOM 929 N ASP A 63 2.064 -13.437 -0.658 1.00 0.51 N ATOM 930 CA ASP A 63 1.412 -13.878 0.572 1.00 0.55 C ATOM 931 C ASP A 63 1.571 -12.839 1.659 1.00 0.45 C ATOM 932 O ASP A 63 0.663 -12.610 2.446 1.00 0.48 O ATOM 933 CB ASP A 63 1.989 -15.213 1.081 1.00 0.80 C ATOM 934 CG ASP A 63 1.815 -16.376 0.130 1.00 1.25 C ATOM 935 OD1 ASP A 63 2.709 -16.616 -0.702 1.00 1.94 O ATOM 936 OD2 ASP A 63 0.799 -17.101 0.220 1.00 1.88 O ATOM 0 H ASP A 63 2.946 -13.909 -0.858 1.00 0.51 H new ATOM 0 HA ASP A 63 0.357 -14.018 0.336 1.00 0.55 H new ATOM 0 HB2 ASP A 63 3.052 -15.081 1.283 1.00 0.80 H new ATOM 0 HB3 ASP A 63 1.513 -15.462 2.030 1.00 0.80 H new ATOM 941 N VAL A 64 2.693 -12.141 1.643 1.00 0.43 N ATOM 942 CA VAL A 64 3.017 -11.198 2.705 1.00 0.43 C ATOM 943 C VAL A 64 2.221 -9.902 2.559 1.00 0.34 C ATOM 944 O VAL A 64 1.923 -9.235 3.545 1.00 0.37 O ATOM 945 CB VAL A 64 4.554 -10.931 2.812 1.00 0.57 C ATOM 946 CG1 VAL A 64 4.888 -9.947 3.933 1.00 0.66 C ATOM 947 CG2 VAL A 64 5.291 -12.239 3.044 1.00 0.70 C ATOM 0 H VAL A 64 3.397 -12.208 0.907 1.00 0.43 H new ATOM 0 HA VAL A 64 2.719 -11.660 3.646 1.00 0.43 H new ATOM 0 HB VAL A 64 4.875 -10.484 1.871 1.00 0.57 H new ATOM 0 HG11 VAL A 64 5.966 -9.791 3.971 1.00 0.66 H new ATOM 0 HG12 VAL A 64 4.390 -8.996 3.743 1.00 0.66 H new ATOM 0 HG13 VAL A 64 4.546 -10.351 4.886 1.00 0.66 H new ATOM 0 HG21 VAL A 64 6.361 -12.046 3.118 1.00 0.70 H new ATOM 0 HG22 VAL A 64 4.940 -12.695 3.970 1.00 0.70 H new ATOM 0 HG23 VAL A 64 5.101 -12.916 2.211 1.00 0.70 H new ATOM 957 N ALA A 65 1.812 -9.579 1.345 1.00 0.32 N ATOM 958 CA ALA A 65 0.940 -8.422 1.128 1.00 0.34 C ATOM 959 C ALA A 65 -0.444 -8.643 1.769 1.00 0.37 C ATOM 960 O ALA A 65 -1.196 -7.708 1.973 1.00 0.46 O ATOM 961 CB ALA A 65 0.821 -8.079 -0.340 1.00 0.42 C ATOM 0 H ALA A 65 2.062 -10.090 0.499 1.00 0.32 H new ATOM 0 HA ALA A 65 1.402 -7.566 1.621 1.00 0.34 H new ATOM 0 HB1 ALA A 65 0.166 -7.216 -0.460 1.00 0.42 H new ATOM 0 HB2 ALA A 65 1.807 -7.845 -0.740 1.00 0.42 H new ATOM 0 HB3 ALA A 65 0.403 -8.929 -0.880 1.00 0.42 H new ATOM 967 N GLY A 66 -0.761 -9.896 2.086 1.00 0.39 N ATOM 968 CA GLY A 66 -1.995 -10.206 2.774 1.00 0.50 C ATOM 969 C GLY A 66 -1.733 -10.443 4.252 1.00 0.52 C ATOM 970 O GLY A 66 -2.645 -10.713 5.031 1.00 0.73 O ATOM 0 H GLY A 66 -0.177 -10.705 1.875 1.00 0.39 H new ATOM 0 HA2 GLY A 66 -2.703 -9.387 2.651 1.00 0.50 H new ATOM 0 HA3 GLY A 66 -2.452 -11.092 2.333 1.00 0.50 H new ATOM 974 N ARG A 67 -0.471 -10.326 4.628 1.00 0.42 N ATOM 975 CA ARG A 67 -0.024 -10.525 6.001 1.00 0.50 C ATOM 976 C ARG A 67 0.191 -9.196 6.690 1.00 0.49 C ATOM 977 O ARG A 67 0.651 -9.133 7.827 1.00 0.60 O ATOM 978 CB ARG A 67 1.258 -11.352 6.034 1.00 0.56 C ATOM 979 CG ARG A 67 1.068 -12.762 5.569 1.00 1.09 C ATOM 980 CD ARG A 67 2.364 -13.518 5.585 1.00 1.24 C ATOM 981 NE ARG A 67 2.216 -14.845 5.002 1.00 2.11 N ATOM 982 CZ ARG A 67 3.230 -15.655 4.691 1.00 2.57 C ATOM 983 NH1 ARG A 67 4.482 -15.280 4.924 1.00 2.21 N ATOM 984 NH2 ARG A 67 2.984 -16.835 4.150 1.00 3.62 N ATOM 0 H ARG A 67 0.283 -10.088 3.983 1.00 0.42 H new ATOM 0 HA ARG A 67 -0.802 -11.070 6.536 1.00 0.50 H new ATOM 0 HB2 ARG A 67 2.009 -10.869 5.409 1.00 0.56 H new ATOM 0 HB3 ARG A 67 1.649 -11.362 7.051 1.00 0.56 H new ATOM 0 HG2 ARG A 67 0.343 -13.264 6.209 1.00 1.09 H new ATOM 0 HG3 ARG A 67 0.656 -12.763 4.560 1.00 1.09 H new ATOM 0 HD2 ARG A 67 3.119 -12.959 5.032 1.00 1.24 H new ATOM 0 HD3 ARG A 67 2.721 -13.608 6.611 1.00 1.24 H new ATOM 0 HE ARG A 67 1.270 -15.179 4.818 1.00 2.11 H new ATOM 0 HH11 ARG A 67 4.672 -14.369 5.342 1.00 2.21 H new ATOM 0 HH12 ARG A 67 5.254 -15.902 4.685 1.00 2.21 H new ATOM 0 HH21 ARG A 67 2.022 -17.124 3.972 1.00 3.62 H new ATOM 0 HH22 ARG A 67 3.756 -17.457 3.911 1.00 3.62 H new ATOM 998 N VAL A 68 -0.106 -8.136 5.977 1.00 0.44 N ATOM 999 CA VAL A 68 -0.036 -6.809 6.529 1.00 0.44 C ATOM 1000 C VAL A 68 -1.317 -6.491 7.293 1.00 0.52 C ATOM 1001 O VAL A 68 -2.203 -7.353 7.418 1.00 0.94 O ATOM 1002 CB VAL A 68 0.270 -5.730 5.453 1.00 0.46 C ATOM 1003 CG1 VAL A 68 1.654 -5.947 4.871 1.00 0.50 C ATOM 1004 CG2 VAL A 68 -0.771 -5.763 4.353 1.00 0.57 C ATOM 0 H VAL A 68 -0.402 -8.171 5.001 1.00 0.44 H new ATOM 0 HA VAL A 68 0.802 -6.785 7.226 1.00 0.44 H new ATOM 0 HB VAL A 68 0.238 -4.750 5.929 1.00 0.46 H new ATOM 0 HG11 VAL A 68 1.856 -5.185 4.119 1.00 0.50 H new ATOM 0 HG12 VAL A 68 2.397 -5.879 5.665 1.00 0.50 H new ATOM 0 HG13 VAL A 68 1.704 -6.934 4.410 1.00 0.50 H new ATOM 0 HG21 VAL A 68 -0.539 -5.000 3.610 1.00 0.57 H new ATOM 0 HG22 VAL A 68 -0.768 -6.744 3.879 1.00 0.57 H new ATOM 0 HG23 VAL A 68 -1.756 -5.568 4.778 1.00 0.57 H new ATOM 1014 N ASP A 69 -1.451 -5.276 7.745 1.00 0.40 N ATOM 1015 CA ASP A 69 -2.611 -4.900 8.554 1.00 0.57 C ATOM 1016 C ASP A 69 -3.166 -3.599 8.071 1.00 0.40 C ATOM 1017 O ASP A 69 -4.192 -3.545 7.411 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.239 -4.734 10.056 1.00 0.94 C ATOM 1019 CG ASP A 69 -1.681 -5.969 10.719 1.00 1.52 C ATOM 1020 OD1 ASP A 69 -0.463 -6.194 10.650 1.00 2.46 O ATOM 1021 OD2 ASP A 69 -2.448 -6.717 11.345 1.00 1.76 O ATOM 0 H ASP A 69 -0.784 -4.522 7.577 1.00 0.40 H new ATOM 0 HA ASP A 69 -3.345 -5.700 8.455 1.00 0.57 H new ATOM 0 HB2 ASP A 69 -1.508 -3.931 10.146 1.00 0.94 H new ATOM 0 HB3 ASP A 69 -3.128 -4.418 10.602 1.00 0.94 H new ATOM 1026 N THR A 70 -2.485 -2.559 8.391 1.00 0.35 N ATOM 1027 CA THR A 70 -2.882 -1.253 8.018 1.00 0.30 C ATOM 1028 C THR A 70 -2.079 -0.833 6.804 1.00 0.26 C ATOM 1029 O THR A 70 -1.052 -1.473 6.483 1.00 0.26 O ATOM 1030 CB THR A 70 -2.579 -0.292 9.177 1.00 0.44 C ATOM 1031 OG1 THR A 70 -1.198 -0.459 9.564 1.00 0.54 O ATOM 1032 CG2 THR A 70 -3.487 -0.571 10.365 1.00 0.52 C ATOM 0 H THR A 70 -1.620 -2.594 8.930 1.00 0.35 H new ATOM 0 HA THR A 70 -3.947 -1.232 7.789 1.00 0.30 H new ATOM 0 HB THR A 70 -2.759 0.732 8.851 1.00 0.44 H new ATOM 0 HG1 THR A 70 -1.031 0.027 10.398 1.00 0.54 H new ATOM 0 HG21 THR A 70 -3.253 0.122 11.173 1.00 0.52 H new ATOM 0 HG22 THR A 70 -4.527 -0.442 10.066 1.00 0.52 H new ATOM 0 HG23 THR A 70 -3.332 -1.594 10.709 1.00 0.52 H new ATOM 1040 N PRO A 71 -2.520 0.203 6.080 1.00 0.27 N ATOM 1041 CA PRO A 71 -1.750 0.772 4.990 1.00 0.28 C ATOM 1042 C PRO A 71 -0.392 1.231 5.489 1.00 0.27 C ATOM 1043 O PRO A 71 0.577 1.160 4.771 1.00 0.30 O ATOM 1044 CB PRO A 71 -2.592 1.954 4.534 1.00 0.33 C ATOM 1045 CG PRO A 71 -3.970 1.565 4.907 1.00 0.35 C ATOM 1046 CD PRO A 71 -3.831 0.856 6.212 1.00 0.33 C ATOM 0 HA PRO A 71 -1.554 0.063 4.185 1.00 0.28 H new ATOM 0 HB2 PRO A 71 -2.288 2.877 5.028 1.00 0.33 H new ATOM 0 HB3 PRO A 71 -2.499 2.122 3.461 1.00 0.33 H new ATOM 0 HG2 PRO A 71 -4.615 2.439 4.999 1.00 0.35 H new ATOM 0 HG3 PRO A 71 -4.416 0.918 4.152 1.00 0.35 H new ATOM 0 HD2 PRO A 71 -3.857 1.547 7.054 1.00 0.33 H new ATOM 0 HD3 PRO A 71 -4.631 0.132 6.368 1.00 0.33 H new ATOM 1054 N ARG A 72 -0.349 1.706 6.746 1.00 0.29 N ATOM 1055 CA ARG A 72 0.911 2.058 7.414 1.00 0.34 C ATOM 1056 C ARG A 72 1.876 0.873 7.374 1.00 0.32 C ATOM 1057 O ARG A 72 3.028 1.004 6.979 1.00 0.35 O ATOM 1058 CB ARG A 72 0.677 2.457 8.879 1.00 0.42 C ATOM 1059 CG ARG A 72 1.967 2.816 9.605 1.00 0.72 C ATOM 1060 CD ARG A 72 1.761 3.072 11.087 1.00 0.75 C ATOM 1061 NE ARG A 72 0.877 4.208 11.363 1.00 0.84 N ATOM 1062 CZ ARG A 72 1.302 5.436 11.713 1.00 1.44 C ATOM 1063 NH1 ARG A 72 2.602 5.734 11.669 1.00 2.34 N ATOM 1064 NH2 ARG A 72 0.428 6.357 12.083 1.00 1.57 N ATOM 0 H ARG A 72 -1.179 1.855 7.320 1.00 0.29 H new ATOM 0 HA ARG A 72 1.338 2.908 6.882 1.00 0.34 H new ATOM 0 HB2 ARG A 72 -0.004 3.307 8.915 1.00 0.42 H new ATOM 0 HB3 ARG A 72 0.188 1.635 9.401 1.00 0.42 H new ATOM 0 HG2 ARG A 72 2.686 2.007 9.478 1.00 0.72 H new ATOM 0 HG3 ARG A 72 2.401 3.704 9.145 1.00 0.72 H new ATOM 0 HD2 ARG A 72 1.345 2.177 11.549 1.00 0.75 H new ATOM 0 HD3 ARG A 72 2.729 3.252 11.555 1.00 0.75 H new ATOM 0 HE ARG A 72 -0.129 4.058 11.284 1.00 0.84 H new ATOM 0 HH11 ARG A 72 3.277 5.030 11.369 1.00 2.34 H new ATOM 0 HH12 ARG A 72 2.921 6.666 11.935 1.00 2.34 H new ATOM 0 HH21 ARG A 72 -0.568 6.136 12.103 1.00 1.57 H new ATOM 0 HH22 ARG A 72 0.750 7.288 12.348 1.00 1.57 H new ATOM 1078 N GLU A 73 1.367 -0.285 7.769 1.00 0.30 N ATOM 1079 CA GLU A 73 2.138 -1.516 7.818 1.00 0.31 C ATOM 1080 C GLU A 73 2.591 -1.920 6.399 1.00 0.30 C ATOM 1081 O GLU A 73 3.741 -2.314 6.179 1.00 0.33 O ATOM 1082 CB GLU A 73 1.272 -2.620 8.461 1.00 0.36 C ATOM 1083 CG GLU A 73 1.974 -3.943 8.689 1.00 0.42 C ATOM 1084 CD GLU A 73 3.148 -3.819 9.624 1.00 1.08 C ATOM 1085 OE1 GLU A 73 4.256 -3.482 9.178 1.00 1.68 O ATOM 1086 OE2 GLU A 73 2.981 -4.042 10.826 1.00 1.74 O ATOM 0 H GLU A 73 0.398 -0.396 8.067 1.00 0.30 H new ATOM 0 HA GLU A 73 3.034 -1.370 8.421 1.00 0.31 H new ATOM 0 HB2 GLU A 73 0.900 -2.255 9.418 1.00 0.36 H new ATOM 0 HB3 GLU A 73 0.403 -2.793 7.826 1.00 0.36 H new ATOM 0 HG2 GLU A 73 1.263 -4.662 9.096 1.00 0.42 H new ATOM 0 HG3 GLU A 73 2.315 -4.339 7.733 1.00 0.42 H new ATOM 1093 N LEU A 74 1.694 -1.769 5.444 1.00 0.28 N ATOM 1094 CA LEU A 74 1.984 -2.096 4.050 1.00 0.31 C ATOM 1095 C LEU A 74 3.040 -1.103 3.500 1.00 0.31 C ATOM 1096 O LEU A 74 3.979 -1.500 2.811 1.00 0.34 O ATOM 1097 CB LEU A 74 0.640 -2.103 3.245 1.00 0.32 C ATOM 1098 CG LEU A 74 0.616 -2.624 1.778 1.00 0.35 C ATOM 1099 CD1 LEU A 74 1.197 -1.615 0.800 1.00 0.60 C ATOM 1100 CD2 LEU A 74 1.361 -3.949 1.666 1.00 0.50 C ATOM 0 H LEU A 74 0.749 -1.419 5.604 1.00 0.28 H new ATOM 0 HA LEU A 74 2.418 -3.091 3.951 1.00 0.31 H new ATOM 0 HB2 LEU A 74 -0.075 -2.698 3.813 1.00 0.32 H new ATOM 0 HB3 LEU A 74 0.264 -1.080 3.232 1.00 0.32 H new ATOM 0 HG LEU A 74 -0.430 -2.776 1.512 1.00 0.35 H new ATOM 0 HD11 LEU A 74 1.159 -2.023 -0.210 1.00 0.60 H new ATOM 0 HD12 LEU A 74 0.617 -0.693 0.841 1.00 0.60 H new ATOM 0 HD13 LEU A 74 2.233 -1.404 1.067 1.00 0.60 H new ATOM 0 HD21 LEU A 74 1.333 -4.296 0.633 1.00 0.50 H new ATOM 0 HD22 LEU A 74 2.397 -3.811 1.974 1.00 0.50 H new ATOM 0 HD23 LEU A 74 0.886 -4.689 2.311 1.00 0.50 H new ATOM 1112 N LEU A 75 2.881 0.170 3.847 1.00 0.32 N ATOM 1113 CA LEU A 75 3.826 1.238 3.499 1.00 0.34 C ATOM 1114 C LEU A 75 5.213 0.917 4.028 1.00 0.33 C ATOM 1115 O LEU A 75 6.195 0.968 3.299 1.00 0.31 O ATOM 1116 CB LEU A 75 3.363 2.572 4.101 1.00 0.38 C ATOM 1117 CG LEU A 75 4.263 3.780 3.841 1.00 0.45 C ATOM 1118 CD1 LEU A 75 4.317 4.093 2.365 1.00 0.52 C ATOM 1119 CD2 LEU A 75 3.791 4.988 4.634 1.00 0.52 C ATOM 0 H LEU A 75 2.081 0.499 4.387 1.00 0.32 H new ATOM 0 HA LEU A 75 3.862 1.316 2.412 1.00 0.34 H new ATOM 0 HB2 LEU A 75 2.369 2.796 3.713 1.00 0.38 H new ATOM 0 HB3 LEU A 75 3.264 2.445 5.179 1.00 0.38 H new ATOM 0 HG LEU A 75 5.271 3.533 4.175 1.00 0.45 H new ATOM 0 HD11 LEU A 75 4.962 4.956 2.199 1.00 0.52 H new ATOM 0 HD12 LEU A 75 4.715 3.234 1.825 1.00 0.52 H new ATOM 0 HD13 LEU A 75 3.313 4.316 2.003 1.00 0.52 H new ATOM 0 HD21 LEU A 75 4.447 5.835 4.432 1.00 0.52 H new ATOM 0 HD22 LEU A 75 2.772 5.241 4.340 1.00 0.52 H new ATOM 0 HD23 LEU A 75 3.815 4.756 5.699 1.00 0.52 H new ATOM 1131 N ASP A 76 5.265 0.577 5.305 1.00 0.35 N ATOM 1132 CA ASP A 76 6.509 0.243 6.004 1.00 0.37 C ATOM 1133 C ASP A 76 7.211 -0.931 5.351 1.00 0.34 C ATOM 1134 O ASP A 76 8.441 -0.973 5.279 1.00 0.35 O ATOM 1135 CB ASP A 76 6.219 -0.063 7.472 1.00 0.45 C ATOM 1136 CG ASP A 76 7.450 -0.449 8.262 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.249 0.438 8.598 1.00 0.69 O ATOM 1138 OD2 ASP A 76 7.604 -1.646 8.600 1.00 0.59 O ATOM 0 H ASP A 76 4.438 0.522 5.899 1.00 0.35 H new ATOM 0 HA ASP A 76 7.173 1.105 5.942 1.00 0.37 H new ATOM 0 HB2 ASP A 76 5.760 0.811 7.933 1.00 0.45 H new ATOM 0 HB3 ASP A 76 5.491 -0.873 7.529 1.00 0.45 H new ATOM 1143 N LEU A 77 6.426 -1.868 4.858 1.00 0.34 N ATOM 1144 CA LEU A 77 6.946 -3.027 4.159 1.00 0.35 C ATOM 1145 C LEU A 77 7.620 -2.591 2.850 1.00 0.34 C ATOM 1146 O LEU A 77 8.696 -3.079 2.497 1.00 0.43 O ATOM 1147 CB LEU A 77 5.816 -4.025 3.883 1.00 0.38 C ATOM 1148 CG LEU A 77 6.212 -5.356 3.245 1.00 0.43 C ATOM 1149 CD1 LEU A 77 7.204 -6.103 4.125 1.00 1.15 C ATOM 1150 CD2 LEU A 77 4.980 -6.204 3.008 1.00 1.54 C ATOM 0 H LEU A 77 5.409 -1.848 4.931 1.00 0.34 H new ATOM 0 HA LEU A 77 7.692 -3.518 4.784 1.00 0.35 H new ATOM 0 HB2 LEU A 77 5.312 -4.237 4.826 1.00 0.38 H new ATOM 0 HB3 LEU A 77 5.086 -3.541 3.234 1.00 0.38 H new ATOM 0 HG LEU A 77 6.692 -5.151 2.288 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.472 -7.047 3.651 1.00 1.15 H new ATOM 0 HD12 LEU A 77 8.100 -5.497 4.258 1.00 1.15 H new ATOM 0 HD13 LEU A 77 6.752 -6.300 5.097 1.00 1.15 H new ATOM 0 HD21 LEU A 77 5.272 -7.151 2.553 1.00 1.54 H new ATOM 0 HD22 LEU A 77 4.482 -6.396 3.958 1.00 1.54 H new ATOM 0 HD23 LEU A 77 4.298 -5.676 2.342 1.00 1.54 H new ATOM 1162 N ILE A 78 7.003 -1.639 2.163 1.00 0.27 N ATOM 1163 CA ILE A 78 7.553 -1.121 0.919 1.00 0.26 C ATOM 1164 C ILE A 78 8.770 -0.269 1.216 1.00 0.28 C ATOM 1165 O ILE A 78 9.752 -0.322 0.502 1.00 0.33 O ATOM 1166 CB ILE A 78 6.507 -0.319 0.088 1.00 0.21 C ATOM 1167 CG1 ILE A 78 5.334 -1.235 -0.255 1.00 0.25 C ATOM 1168 CG2 ILE A 78 7.139 0.243 -1.197 1.00 0.25 C ATOM 1169 CD1 ILE A 78 4.264 -0.615 -1.121 1.00 0.29 C ATOM 0 H ILE A 78 6.122 -1.210 2.446 1.00 0.27 H new ATOM 0 HA ILE A 78 7.844 -1.974 0.307 1.00 0.26 H new ATOM 0 HB ILE A 78 6.153 0.524 0.681 1.00 0.21 H new ATOM 0 HG12 ILE A 78 5.721 -2.119 -0.761 1.00 0.25 H new ATOM 0 HG13 ILE A 78 4.875 -1.574 0.674 1.00 0.25 H new ATOM 0 HG21 ILE A 78 6.388 0.798 -1.759 1.00 0.25 H new ATOM 0 HG22 ILE A 78 7.963 0.908 -0.937 1.00 0.25 H new ATOM 0 HG23 ILE A 78 7.515 -0.578 -1.807 1.00 0.25 H new ATOM 0 HD11 ILE A 78 3.477 -1.346 -1.307 1.00 0.29 H new ATOM 0 HD12 ILE A 78 3.841 0.252 -0.613 1.00 0.29 H new ATOM 0 HD13 ILE A 78 4.700 -0.302 -2.070 1.00 0.29 H new ATOM 1181 N ASN A 79 8.713 0.476 2.302 1.00 0.28 N ATOM 1182 CA ASN A 79 9.850 1.286 2.740 1.00 0.32 C ATOM 1183 C ASN A 79 11.027 0.403 3.078 1.00 0.34 C ATOM 1184 O ASN A 79 12.176 0.755 2.816 1.00 0.37 O ATOM 1185 CB ASN A 79 9.501 2.171 3.934 1.00 0.37 C ATOM 1186 CG ASN A 79 8.566 3.302 3.593 1.00 0.43 C ATOM 1187 OD1 ASN A 79 8.544 3.782 2.473 1.00 1.24 O ATOM 1188 ND2 ASN A 79 7.823 3.765 4.560 1.00 0.69 N ATOM 0 H ASN A 79 7.892 0.542 2.904 1.00 0.28 H new ATOM 0 HA ASN A 79 10.115 1.942 1.911 1.00 0.32 H new ATOM 0 HB2 ASN A 79 9.046 1.556 4.711 1.00 0.37 H new ATOM 0 HB3 ASN A 79 10.420 2.583 4.351 1.00 0.37 H new ATOM 0 HD21 ASN A 79 7.198 4.553 4.390 1.00 0.69 H new ATOM 0 HD22 ASN A 79 7.867 3.339 5.486 1.00 0.69 H new ATOM 1195 N GLY A 80 10.731 -0.764 3.623 1.00 0.37 N ATOM 1196 CA GLY A 80 11.751 -1.737 3.911 1.00 0.43 C ATOM 1197 C GLY A 80 12.409 -2.221 2.641 1.00 0.42 C ATOM 1198 O GLY A 80 13.617 -2.494 2.607 1.00 0.50 O ATOM 0 H GLY A 80 9.786 -1.055 3.873 1.00 0.37 H new ATOM 0 HA2 GLY A 80 12.501 -1.299 4.570 1.00 0.43 H new ATOM 0 HA3 GLY A 80 11.313 -2.582 4.443 1.00 0.43 H new ATOM 1202 N ALA A 81 11.618 -2.318 1.595 1.00 0.38 N ATOM 1203 CA ALA A 81 12.101 -2.693 0.291 1.00 0.40 C ATOM 1204 C ALA A 81 12.849 -1.523 -0.352 1.00 0.37 C ATOM 1205 O ALA A 81 13.752 -1.714 -1.123 1.00 0.44 O ATOM 1206 CB ALA A 81 10.955 -3.166 -0.590 1.00 0.42 C ATOM 0 H ALA A 81 10.615 -2.137 1.629 1.00 0.38 H new ATOM 0 HA ALA A 81 12.799 -3.523 0.400 1.00 0.40 H new ATOM 0 HB1 ALA A 81 11.341 -3.445 -1.571 1.00 0.42 H new ATOM 0 HB2 ALA A 81 10.475 -4.030 -0.130 1.00 0.42 H new ATOM 0 HB3 ALA A 81 10.226 -2.363 -0.702 1.00 0.42 H new ATOM 1212 N LEU A 82 12.496 -0.308 0.021 1.00 0.35 N ATOM 1213 CA LEU A 82 13.132 0.893 -0.527 1.00 0.39 C ATOM 1214 C LEU A 82 14.587 1.018 -0.099 1.00 0.53 C ATOM 1215 O LEU A 82 15.354 1.786 -0.686 1.00 0.67 O ATOM 1216 CB LEU A 82 12.363 2.162 -0.159 1.00 0.39 C ATOM 1217 CG LEU A 82 10.944 2.272 -0.706 1.00 0.37 C ATOM 1218 CD1 LEU A 82 10.337 3.601 -0.328 1.00 0.49 C ATOM 1219 CD2 LEU A 82 10.927 2.089 -2.210 1.00 0.49 C ATOM 0 H LEU A 82 11.766 -0.117 0.707 1.00 0.35 H new ATOM 0 HA LEU A 82 13.109 0.781 -1.611 1.00 0.39 H new ATOM 0 HB2 LEU A 82 12.318 2.232 0.928 1.00 0.39 H new ATOM 0 HB3 LEU A 82 12.933 3.022 -0.510 1.00 0.39 H new ATOM 0 HG LEU A 82 10.346 1.476 -0.262 1.00 0.37 H new ATOM 0 HD11 LEU A 82 9.324 3.665 -0.726 1.00 0.49 H new ATOM 0 HD12 LEU A 82 10.307 3.692 0.758 1.00 0.49 H new ATOM 0 HD13 LEU A 82 10.941 4.408 -0.743 1.00 0.49 H new ATOM 0 HD21 LEU A 82 9.903 2.172 -2.575 1.00 0.49 H new ATOM 0 HD22 LEU A 82 11.542 2.858 -2.677 1.00 0.49 H new ATOM 0 HD23 LEU A 82 11.323 1.105 -2.461 1.00 0.49 H new ATOM 1231 N ALA A 83 14.963 0.264 0.913 1.00 0.63 N ATOM 1232 CA ALA A 83 16.336 0.218 1.388 1.00 0.81 C ATOM 1233 C ALA A 83 17.276 -0.380 0.318 1.00 0.84 C ATOM 1234 O ALA A 83 18.483 -0.160 0.342 1.00 1.00 O ATOM 1235 CB ALA A 83 16.416 -0.571 2.682 1.00 0.99 C ATOM 0 H ALA A 83 14.325 -0.338 1.433 1.00 0.63 H new ATOM 0 HA ALA A 83 16.666 1.238 1.583 1.00 0.81 H new ATOM 0 HB1 ALA A 83 17.449 -0.599 3.028 1.00 0.99 H new ATOM 0 HB2 ALA A 83 15.793 -0.094 3.438 1.00 0.99 H new ATOM 0 HB3 ALA A 83 16.064 -1.588 2.510 1.00 0.99 H new ATOM 1241 N GLU A 84 16.706 -1.130 -0.617 1.00 0.79 N ATOM 1242 CA GLU A 84 17.476 -1.735 -1.705 1.00 0.94 C ATOM 1243 C GLU A 84 17.087 -1.065 -3.027 1.00 0.95 C ATOM 1244 O GLU A 84 17.436 -1.537 -4.120 1.00 1.34 O ATOM 1245 CB GLU A 84 17.191 -3.249 -1.777 1.00 1.11 C ATOM 1246 CG GLU A 84 15.752 -3.572 -2.121 1.00 1.64 C ATOM 1247 CD GLU A 84 15.409 -5.019 -2.046 1.00 1.84 C ATOM 1248 OE1 GLU A 84 15.208 -5.533 -0.934 1.00 2.18 O ATOM 1249 OE2 GLU A 84 15.275 -5.670 -3.086 1.00 2.22 O ATOM 0 H GLU A 84 15.708 -1.337 -0.646 1.00 0.79 H new ATOM 0 HA GLU A 84 18.541 -1.590 -1.522 1.00 0.94 H new ATOM 0 HB2 GLU A 84 17.846 -3.700 -2.523 1.00 1.11 H new ATOM 0 HB3 GLU A 84 17.439 -3.704 -0.818 1.00 1.11 H new ATOM 0 HG2 GLU A 84 15.098 -3.021 -1.445 1.00 1.64 H new ATOM 0 HG3 GLU A 84 15.544 -3.214 -3.129 1.00 1.64 H new ATOM 1256 N ALA A 85 16.385 0.034 -2.925 1.00 0.92 N ATOM 1257 CA ALA A 85 15.892 0.726 -4.084 1.00 1.13 C ATOM 1258 C ALA A 85 16.664 2.004 -4.315 1.00 1.45 C ATOM 1259 O ALA A 85 17.317 2.537 -3.395 1.00 2.15 O ATOM 1260 CB ALA A 85 14.407 1.019 -3.941 1.00 1.72 C ATOM 0 H ALA A 85 16.140 0.472 -2.037 1.00 0.92 H new ATOM 0 HA ALA A 85 16.034 0.080 -4.951 1.00 1.13 H new ATOM 0 HB1 ALA A 85 14.052 1.543 -4.828 1.00 1.72 H new ATOM 0 HB2 ALA A 85 13.860 0.083 -3.830 1.00 1.72 H new ATOM 0 HB3 ALA A 85 14.242 1.642 -3.062 1.00 1.72 H new ATOM 1266 N ALA A 86 16.607 2.472 -5.526 1.00 1.81 N ATOM 1267 CA ALA A 86 17.255 3.690 -5.913 1.00 2.61 C ATOM 1268 C ALA A 86 16.193 4.728 -6.188 1.00 2.71 C ATOM 1269 O ALA A 86 15.828 5.469 -5.264 1.00 3.04 O ATOM 1270 CB ALA A 86 18.126 3.462 -7.143 1.00 3.54 C ATOM 1271 OXT ALA A 86 15.663 4.780 -7.316 1.00 3.10 O ATOM 0 H ALA A 86 16.102 2.012 -6.284 1.00 1.81 H new ATOM 0 HA ALA A 86 17.906 4.038 -5.111 1.00 2.61 H new ATOM 0 HB1 ALA A 86 18.611 4.397 -7.424 1.00 3.54 H new ATOM 0 HB2 ALA A 86 18.885 2.713 -6.918 1.00 3.54 H new ATOM 0 HB3 ALA A 86 17.506 3.113 -7.968 1.00 3.54 H new TER 1277 ALA A 86 HETATM 1278 O23 PSR A 87 -9.752 -12.480 -3.931 1.00 1.31 O HETATM 1279 P24 PSR A 87 -9.124 -11.393 -4.846 1.00 1.02 P HETATM 1280 O26 PSR A 87 -9.832 -11.106 -6.189 1.00 1.20 O HETATM 1281 O27 PSR A 87 -7.668 -11.817 -5.162 1.00 0.86 O HETATM 1282 C28 PSR A 87 -6.857 -10.929 -6.006 1.00 0.77 C HETATM 1283 C29 PSR A 87 -5.400 -11.398 -6.135 1.00 0.82 C HETATM 1284 C30 PSR A 87 -4.715 -10.387 -6.999 1.00 0.94 C HETATM 1285 C31 PSR A 87 -4.725 -11.384 -4.761 1.00 0.94 C HETATM 1286 C32 PSR A 87 -5.293 -12.841 -6.837 1.00 0.97 C HETATM 1287 O33 PSR A 87 -6.066 -12.831 -8.046 1.00 1.07 O HETATM 1288 C34 PSR A 87 -5.879 -13.985 -5.988 1.00 1.04 C HETATM 1289 O35 PSR A 87 -6.930 -14.526 -6.363 1.00 1.12 O HETATM 1290 N36 PSR A 87 -5.227 -14.347 -4.901 1.00 1.17 N HETATM 1291 C37 PSR A 87 -5.631 -15.415 -3.983 1.00 1.38 C HETATM 1292 C38 PSR A 87 -5.151 -15.153 -2.550 1.00 1.65 C HETATM 1293 C39 PSR A 87 -5.876 -13.991 -1.896 1.00 1.64 C HETATM 1294 O40 PSR A 87 -7.051 -13.709 -2.189 1.00 2.45 O HETATM 1295 N41 PSR A 87 -5.168 -13.320 -1.016 1.00 1.40 N HETATM 1296 C42 PSR A 87 -5.653 -12.166 -0.283 1.00 1.54 C HETATM 1297 C43 PSR A 87 -5.062 -10.902 -0.856 1.00 1.34 C HETATM 1298 S1 PSR A 87 -3.347 -11.064 -0.923 1.00 1.78 S HETATM 1299 C1 PSR A 87 -3.016 -9.725 -1.972 1.00 1.60 C HETATM 1300 O1 PSR A 87 -3.858 -8.916 -2.365 1.00 2.22 O HETATM 1301 C2 PSR A 87 -1.586 -9.647 -2.431 1.00 1.64 C HETATM 1302 C3 PSR A 87 -1.401 -10.089 -3.871 1.00 1.78 C HETATM 1303 C4 PSR A 87 0.035 -9.877 -4.277 1.00 1.76 C HETATM 0 HC43 PSR A 87 0.287 -8.821 -4.185 1.00 1.76 H new HETATM 0 HC42 PSR A 87 0.687 -10.463 -3.629 1.00 1.76 H new HETATM 0 HC41 PSR A 87 0.171 -10.194 -5.311 1.00 1.76 H new HETATM 0 HC32 PSR A 87 -1.670 -11.140 -3.978 1.00 1.78 H new HETATM 0 HC31 PSR A 87 -2.063 -9.522 -4.525 1.00 1.78 H new HETATM 0 HC22 PSR A 87 -1.231 -8.622 -2.323 1.00 1.64 H new HETATM 0 HC21 PSR A 87 -0.968 -10.269 -1.783 1.00 1.64 H new HETATM 0 H432 PSR A 87 -5.462 -10.718 -1.853 1.00 1.34 H new HETATM 0 H431 PSR A 87 -5.335 -10.046 -0.240 1.00 1.34 H new HETATM 0 H422 PSR A 87 -6.741 -12.124 -0.334 1.00 1.54 H new HETATM 0 H421 PSR A 87 -5.387 -12.256 0.770 1.00 1.54 H new HETATM 0 H411 PSR A 87 -4.213 -13.631 -0.836 1.00 1.40 H new HETATM 0 H382 PSR A 87 -5.298 -16.052 -1.951 1.00 1.65 H new HETATM 0 H381 PSR A 87 -4.080 -14.949 -2.561 1.00 1.65 H new HETATM 0 H372 PSR A 87 -6.717 -15.508 -3.990 1.00 1.38 H new HETATM 0 H371 PSR A 87 -5.228 -16.365 -4.332 1.00 1.38 H new HETATM 0 H361 PSR A 87 -4.369 -13.841 -4.680 1.00 1.17 H new HETATM 0 H331 PSR A 87 -6.713 -13.566 -8.026 1.00 1.07 H new HETATM 0 H321 PSR A 87 -4.229 -13.015 -6.994 1.00 0.97 H new HETATM 0 H313 PSR A 87 -4.742 -10.372 -4.357 1.00 0.94 H new HETATM 0 H312 PSR A 87 -5.259 -12.053 -4.086 1.00 0.94 H new HETATM 0 H311 PSR A 87 -3.692 -11.718 -4.860 1.00 0.94 H new HETATM 0 H303 PSR A 87 -5.204 -10.350 -7.973 1.00 0.94 H new HETATM 0 H302 PSR A 87 -4.772 -9.406 -6.527 1.00 0.94 H new HETATM 0 H301 PSR A 87 -3.670 -10.667 -7.128 1.00 0.94 H new HETATM 0 H282 PSR A 87 -7.304 -10.870 -6.998 1.00 0.77 H new HETATM 0 H281 PSR A 87 -6.874 -9.922 -5.588 1.00 0.77 H new