USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 hydrogens (33 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -138:sc= -0.0839 (180deg=-0.561) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -51:sc= 0.636 USER MOD Single : A 6 THR OG1 : rot 180:sc=0.000532 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 95:sc= 1.14 USER MOD Single : A 21 THR OG1 : rot -56:sc= 0.0672 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -41:sc= 0.169 USER MOD Single : A 40 TYR OH : rot -145:sc= 0.234 USER MOD Single : A 46 MET CE :methyl -170:sc= 0 (180deg=-0.0821) USER MOD Single : A 48 THR OG1 : rot 71:sc= 1.31 USER MOD Single : A 54 SER OG : rot 62:sc= 1.92 USER MOD Single : A 56 TYR OH : rot -6:sc= 0.29 USER MOD Single : A 59 SER OG : rot -5:sc= 0.269 USER MOD Single : A 70 THR OG1 : rot -46:sc= 0.933 USER MOD Single : A 79 ASN : amide:sc= 1.42 K(o=1.4,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.797 -5.342 5.893 1.00 4.11 N ATOM 2 CA MET A 1 20.380 -5.607 6.106 1.00 3.57 C ATOM 3 C MET A 1 19.571 -5.104 4.930 1.00 2.82 C ATOM 4 O MET A 1 19.518 -3.896 4.673 1.00 3.20 O ATOM 5 CB MET A 1 19.879 -4.960 7.413 1.00 4.13 C ATOM 6 CG MET A 1 18.392 -5.163 7.683 1.00 4.73 C ATOM 7 SD MET A 1 17.841 -4.384 9.214 1.00 5.41 S ATOM 8 CE MET A 1 18.812 -5.285 10.428 1.00 6.05 C ATOM 0 H1 MET A 1 22.342 -5.692 6.707 1.00 4.11 H new ATOM 0 H2 MET A 1 22.115 -5.827 5.030 1.00 4.11 H new ATOM 0 H3 MET A 1 21.947 -4.318 5.790 1.00 4.11 H new ATOM 0 HA MET A 1 20.250 -6.686 6.193 1.00 3.57 H new ATOM 0 HB2 MET A 1 20.447 -5.369 8.248 1.00 4.13 H new ATOM 0 HB3 MET A 1 20.088 -3.891 7.379 1.00 4.13 H new ATOM 0 HG2 MET A 1 17.818 -4.758 6.849 1.00 4.73 H new ATOM 0 HG3 MET A 1 18.179 -6.231 7.728 1.00 4.73 H new ATOM 0 HE1 MET A 1 18.188 -5.523 11.289 1.00 6.05 H new ATOM 0 HE2 MET A 1 19.184 -6.208 9.984 1.00 6.05 H new ATOM 0 HE3 MET A 1 19.654 -4.671 10.748 1.00 6.05 H new ATOM 20 N ALA A 2 18.938 -6.010 4.217 1.00 2.27 N ATOM 21 CA ALA A 2 18.099 -5.630 3.111 1.00 2.03 C ATOM 22 C ALA A 2 16.734 -5.248 3.632 1.00 1.61 C ATOM 23 O ALA A 2 15.861 -6.095 3.852 1.00 2.08 O ATOM 24 CB ALA A 2 18.002 -6.732 2.075 1.00 2.71 C ATOM 0 H ALA A 2 18.991 -7.014 4.387 1.00 2.27 H new ATOM 0 HA ALA A 2 18.547 -4.771 2.611 1.00 2.03 H new ATOM 0 HB1 ALA A 2 17.360 -6.406 1.256 1.00 2.71 H new ATOM 0 HB2 ALA A 2 18.996 -6.957 1.689 1.00 2.71 H new ATOM 0 HB3 ALA A 2 17.580 -7.626 2.533 1.00 2.71 H new ATOM 30 N THR A 3 16.578 -3.984 3.891 1.00 1.31 N ATOM 31 CA THR A 3 15.353 -3.453 4.428 1.00 1.19 C ATOM 32 C THR A 3 14.379 -3.073 3.302 1.00 0.95 C ATOM 33 O THR A 3 13.826 -1.973 3.269 1.00 1.12 O ATOM 34 CB THR A 3 15.630 -2.252 5.407 1.00 1.56 C ATOM 35 OG1 THR A 3 14.405 -1.700 5.899 1.00 2.44 O ATOM 36 CG2 THR A 3 16.463 -1.154 4.737 1.00 2.02 C ATOM 0 H THR A 3 17.302 -3.283 3.735 1.00 1.31 H new ATOM 0 HA THR A 3 14.874 -4.234 5.018 1.00 1.19 H new ATOM 0 HB THR A 3 16.202 -2.650 6.245 1.00 1.56 H new ATOM 0 HG1 THR A 3 13.807 -1.509 5.147 1.00 2.44 H new ATOM 0 HG21 THR A 3 16.633 -0.343 5.445 1.00 2.02 H new ATOM 0 HG22 THR A 3 17.421 -1.566 4.421 1.00 2.02 H new ATOM 0 HG23 THR A 3 15.928 -0.771 3.868 1.00 2.02 H new ATOM 44 N LEU A 4 14.153 -3.999 2.419 1.00 0.80 N ATOM 45 CA LEU A 4 13.259 -3.790 1.322 1.00 0.65 C ATOM 46 C LEU A 4 11.891 -4.229 1.804 1.00 0.68 C ATOM 47 O LEU A 4 11.797 -5.222 2.542 1.00 0.86 O ATOM 48 CB LEU A 4 13.696 -4.635 0.119 1.00 0.70 C ATOM 49 CG LEU A 4 13.095 -4.259 -1.225 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.624 -2.899 -1.666 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.403 -5.317 -2.267 1.00 1.01 C ATOM 0 H LEU A 4 14.585 -4.923 2.440 1.00 0.80 H new ATOM 0 HA LEU A 4 13.251 -2.747 1.004 1.00 0.65 H new ATOM 0 HB2 LEU A 4 14.781 -4.576 0.036 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.448 -5.676 0.325 1.00 0.70 H new ATOM 0 HG LEU A 4 12.012 -4.198 -1.120 1.00 0.69 H new ATOM 0 HD11 LEU A 4 13.190 -2.635 -2.630 1.00 0.70 H new ATOM 0 HD12 LEU A 4 13.352 -2.146 -0.927 1.00 0.70 H new ATOM 0 HD13 LEU A 4 14.709 -2.943 -1.757 1.00 0.70 H new ATOM 0 HD21 LEU A 4 12.963 -5.027 -3.221 1.00 1.01 H new ATOM 0 HD22 LEU A 4 14.483 -5.413 -2.380 1.00 1.01 H new ATOM 0 HD23 LEU A 4 12.985 -6.272 -1.950 1.00 1.01 H new ATOM 63 N LEU A 5 10.858 -3.514 1.434 1.00 0.60 N ATOM 64 CA LEU A 5 9.535 -3.840 1.907 1.00 0.64 C ATOM 65 C LEU A 5 9.043 -5.068 1.125 1.00 0.59 C ATOM 66 O LEU A 5 8.973 -5.041 -0.119 1.00 0.61 O ATOM 67 CB LEU A 5 8.603 -2.620 1.719 1.00 0.69 C ATOM 68 CG LEU A 5 7.397 -2.481 2.673 1.00 0.90 C ATOM 69 CD1 LEU A 5 6.630 -1.223 2.382 1.00 1.61 C ATOM 70 CD2 LEU A 5 6.478 -3.655 2.602 1.00 1.54 C ATOM 0 H LEU A 5 10.906 -2.708 0.811 1.00 0.60 H new ATOM 0 HA LEU A 5 9.541 -4.079 2.970 1.00 0.64 H new ATOM 0 HB2 LEU A 5 9.209 -1.719 1.812 1.00 0.69 H new ATOM 0 HB3 LEU A 5 8.221 -2.644 0.698 1.00 0.69 H new ATOM 0 HG LEU A 5 7.803 -2.435 3.683 1.00 0.90 H new ATOM 0 HD11 LEU A 5 5.785 -1.146 3.066 1.00 1.61 H new ATOM 0 HD12 LEU A 5 7.283 -0.360 2.513 1.00 1.61 H new ATOM 0 HD13 LEU A 5 6.265 -1.249 1.355 1.00 1.61 H new ATOM 0 HD21 LEU A 5 5.647 -3.508 3.291 1.00 1.54 H new ATOM 0 HD22 LEU A 5 6.094 -3.756 1.587 1.00 1.54 H new ATOM 0 HD23 LEU A 5 7.021 -4.559 2.876 1.00 1.54 H new ATOM 82 N THR A 6 8.761 -6.140 1.840 1.00 0.61 N ATOM 83 CA THR A 6 8.349 -7.379 1.230 1.00 0.63 C ATOM 84 C THR A 6 6.826 -7.499 1.160 1.00 0.57 C ATOM 85 O THR A 6 6.094 -6.679 1.748 1.00 0.59 O ATOM 86 CB THR A 6 8.919 -8.589 2.010 1.00 0.79 C ATOM 87 OG1 THR A 6 8.483 -8.532 3.389 1.00 0.95 O ATOM 88 CG2 THR A 6 10.445 -8.599 1.958 1.00 0.97 C ATOM 0 H THR A 6 8.812 -6.172 2.858 1.00 0.61 H new ATOM 0 HA THR A 6 8.743 -7.379 0.214 1.00 0.63 H new ATOM 0 HB THR A 6 8.549 -9.502 1.545 1.00 0.79 H new ATOM 0 HG1 THR A 6 8.844 -9.300 3.878 1.00 0.95 H new ATOM 0 HG21 THR A 6 10.822 -9.458 2.513 1.00 0.97 H new ATOM 0 HG22 THR A 6 10.773 -8.664 0.921 1.00 0.97 H new ATOM 0 HG23 THR A 6 10.830 -7.682 2.403 1.00 0.97 H new ATOM 96 N THR A 7 6.352 -8.537 0.492 1.00 0.60 N ATOM 97 CA THR A 7 4.935 -8.820 0.386 1.00 0.59 C ATOM 98 C THR A 7 4.354 -9.097 1.794 1.00 0.53 C ATOM 99 O THR A 7 3.238 -8.674 2.114 1.00 0.56 O ATOM 100 CB THR A 7 4.722 -10.044 -0.535 1.00 0.69 C ATOM 101 OG1 THR A 7 5.402 -9.813 -1.777 1.00 0.90 O ATOM 102 CG2 THR A 7 3.245 -10.275 -0.825 1.00 0.81 C ATOM 0 H THR A 7 6.945 -9.210 0.006 1.00 0.60 H new ATOM 0 HA THR A 7 4.420 -7.961 -0.043 1.00 0.59 H new ATOM 0 HB THR A 7 5.116 -10.925 -0.028 1.00 0.69 H new ATOM 0 HG1 THR A 7 5.275 -10.584 -2.368 1.00 0.90 H new ATOM 0 HG21 THR A 7 3.133 -11.143 -1.475 1.00 0.81 H new ATOM 0 HG22 THR A 7 2.714 -10.451 0.110 1.00 0.81 H new ATOM 0 HG23 THR A 7 2.829 -9.396 -1.318 1.00 0.81 H new ATOM 110 N ASP A 8 5.143 -9.785 2.631 1.00 0.54 N ATOM 111 CA ASP A 8 4.739 -10.101 4.015 1.00 0.54 C ATOM 112 C ASP A 8 4.542 -8.856 4.817 1.00 0.52 C ATOM 113 O ASP A 8 3.570 -8.726 5.554 1.00 0.54 O ATOM 114 CB ASP A 8 5.778 -10.945 4.765 1.00 0.63 C ATOM 115 CG ASP A 8 5.923 -12.352 4.278 1.00 1.48 C ATOM 116 OD1 ASP A 8 5.088 -13.202 4.630 1.00 1.98 O ATOM 117 OD2 ASP A 8 6.913 -12.647 3.591 1.00 2.26 O ATOM 0 H ASP A 8 6.067 -10.135 2.377 1.00 0.54 H new ATOM 0 HA ASP A 8 3.811 -10.664 3.915 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.746 -10.450 4.692 1.00 0.63 H new ATOM 0 HB3 ASP A 8 5.510 -10.968 5.821 1.00 0.63 H new ATOM 122 N ASP A 9 5.464 -7.936 4.675 1.00 0.57 N ATOM 123 CA ASP A 9 5.449 -6.729 5.479 1.00 0.64 C ATOM 124 C ASP A 9 4.348 -5.791 5.028 1.00 0.59 C ATOM 125 O ASP A 9 3.626 -5.220 5.852 1.00 0.63 O ATOM 126 CB ASP A 9 6.797 -6.040 5.447 1.00 0.79 C ATOM 127 CG ASP A 9 6.867 -4.922 6.446 1.00 1.60 C ATOM 128 OD1 ASP A 9 7.147 -5.196 7.638 1.00 1.70 O ATOM 129 OD2 ASP A 9 6.666 -3.762 6.082 1.00 2.47 O ATOM 0 H ASP A 9 6.236 -7.996 4.011 1.00 0.57 H new ATOM 0 HA ASP A 9 5.244 -7.015 6.511 1.00 0.64 H new ATOM 0 HB2 ASP A 9 7.583 -6.766 5.656 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.983 -5.648 4.447 1.00 0.79 H new ATOM 134 N LEU A 10 4.178 -5.687 3.713 1.00 0.54 N ATOM 135 CA LEU A 10 3.131 -4.853 3.124 1.00 0.54 C ATOM 136 C LEU A 10 1.780 -5.316 3.609 1.00 0.53 C ATOM 137 O LEU A 10 0.933 -4.506 3.984 1.00 0.59 O ATOM 138 CB LEU A 10 3.147 -4.954 1.600 1.00 0.55 C ATOM 139 CG LEU A 10 2.089 -4.116 0.870 1.00 0.59 C ATOM 140 CD1 LEU A 10 2.411 -2.631 0.952 1.00 0.70 C ATOM 141 CD2 LEU A 10 1.932 -4.570 -0.568 1.00 0.65 C ATOM 0 H LEU A 10 4.757 -6.174 3.029 1.00 0.54 H new ATOM 0 HA LEU A 10 3.316 -3.821 3.423 1.00 0.54 H new ATOM 0 HB2 LEU A 10 4.132 -4.653 1.244 1.00 0.55 H new ATOM 0 HB3 LEU A 10 3.013 -5.999 1.321 1.00 0.55 H new ATOM 0 HG LEU A 10 1.134 -4.272 1.372 1.00 0.59 H new ATOM 0 HD11 LEU A 10 1.644 -2.063 0.426 1.00 0.70 H new ATOM 0 HD12 LEU A 10 2.439 -2.322 1.997 1.00 0.70 H new ATOM 0 HD13 LEU A 10 3.381 -2.443 0.492 1.00 0.70 H new ATOM 0 HD21 LEU A 10 1.176 -3.959 -1.062 1.00 0.65 H new ATOM 0 HD22 LEU A 10 2.883 -4.462 -1.089 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.624 -5.615 -0.588 1.00 0.65 H new ATOM 153 N ARG A 11 1.616 -6.637 3.616 1.00 0.49 N ATOM 154 CA ARG A 11 0.393 -7.310 4.030 1.00 0.50 C ATOM 155 C ARG A 11 -0.085 -6.792 5.376 1.00 0.54 C ATOM 156 O ARG A 11 -1.247 -6.486 5.537 1.00 0.63 O ATOM 157 CB ARG A 11 0.661 -8.814 4.100 1.00 0.51 C ATOM 158 CG ARG A 11 -0.525 -9.689 4.469 1.00 0.61 C ATOM 159 CD ARG A 11 -0.116 -11.159 4.467 1.00 0.72 C ATOM 160 NE ARG A 11 0.942 -11.423 5.449 1.00 0.96 N ATOM 161 CZ ARG A 11 2.061 -12.128 5.245 1.00 1.24 C ATOM 162 NH1 ARG A 11 2.327 -12.675 4.055 1.00 1.65 N ATOM 163 NH2 ARG A 11 2.930 -12.274 6.234 1.00 1.80 N ATOM 0 H ARG A 11 2.350 -7.283 3.326 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.394 -7.108 3.303 1.00 0.50 H new ATOM 0 HB2 ARG A 11 1.039 -9.140 3.131 1.00 0.51 H new ATOM 0 HB3 ARG A 11 1.454 -8.987 4.827 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -0.900 -9.410 5.454 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -1.338 -9.529 3.761 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -0.984 -11.780 4.690 1.00 0.72 H new ATOM 0 HD3 ARG A 11 0.230 -11.440 3.473 1.00 0.72 H new ATOM 0 HE ARG A 11 0.811 -11.030 6.381 1.00 0.96 H new ATOM 0 HH11 ARG A 11 1.672 -12.559 3.282 1.00 1.65 H new ATOM 0 HH12 ARG A 11 3.186 -13.209 3.920 1.00 1.65 H new ATOM 0 HH21 ARG A 11 2.744 -11.851 7.143 1.00 1.80 H new ATOM 0 HH22 ARG A 11 3.785 -12.810 6.086 1.00 1.80 H new ATOM 177 N ARG A 12 0.845 -6.641 6.298 1.00 0.54 N ATOM 178 CA ARG A 12 0.546 -6.196 7.663 1.00 0.60 C ATOM 179 C ARG A 12 -0.089 -4.819 7.629 1.00 0.58 C ATOM 180 O ARG A 12 -1.259 -4.645 7.990 1.00 0.66 O ATOM 181 CB ARG A 12 1.848 -6.093 8.466 1.00 0.68 C ATOM 182 CG ARG A 12 2.709 -7.339 8.462 1.00 0.80 C ATOM 183 CD ARG A 12 4.133 -7.029 8.904 1.00 0.96 C ATOM 184 NE ARG A 12 4.231 -6.557 10.292 1.00 1.50 N ATOM 185 CZ ARG A 12 5.373 -6.122 10.859 1.00 2.02 C ATOM 186 NH1 ARG A 12 6.427 -5.824 10.114 1.00 2.23 N ATOM 187 NH2 ARG A 12 5.433 -5.901 12.165 1.00 2.93 N ATOM 0 H ARG A 12 1.835 -6.822 6.131 1.00 0.54 H new ATOM 0 HA ARG A 12 -0.133 -6.915 8.122 1.00 0.60 H new ATOM 0 HB2 ARG A 12 2.435 -5.264 8.071 1.00 0.68 H new ATOM 0 HB3 ARG A 12 1.601 -5.845 9.498 1.00 0.68 H new ATOM 0 HG2 ARG A 12 2.274 -8.086 9.126 1.00 0.80 H new ATOM 0 HG3 ARG A 12 2.722 -7.771 7.461 1.00 0.80 H new ATOM 0 HD2 ARG A 12 4.743 -7.925 8.791 1.00 0.96 H new ATOM 0 HD3 ARG A 12 4.553 -6.272 8.242 1.00 0.96 H new ATOM 0 HE ARG A 12 3.384 -6.559 10.860 1.00 1.50 H new ATOM 0 HH11 ARG A 12 6.379 -5.923 9.100 1.00 2.23 H new ATOM 0 HH12 ARG A 12 7.286 -5.496 10.554 1.00 2.23 H new ATOM 0 HH21 ARG A 12 4.611 -6.060 12.747 1.00 2.93 H new ATOM 0 HH22 ARG A 12 6.301 -5.572 12.587 1.00 2.93 H new ATOM 201 N ALA A 13 0.664 -3.866 7.113 1.00 0.54 N ATOM 202 CA ALA A 13 0.260 -2.480 7.122 1.00 0.58 C ATOM 203 C ALA A 13 -0.947 -2.224 6.251 1.00 0.56 C ATOM 204 O ALA A 13 -1.776 -1.392 6.593 1.00 0.65 O ATOM 205 CB ALA A 13 1.413 -1.579 6.738 1.00 0.66 C ATOM 0 H ALA A 13 1.571 -4.034 6.677 1.00 0.54 H new ATOM 0 HA ALA A 13 -0.036 -2.242 8.144 1.00 0.58 H new ATOM 0 HB1 ALA A 13 1.083 -0.540 6.752 1.00 0.66 H new ATOM 0 HB2 ALA A 13 2.229 -1.710 7.448 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.758 -1.837 5.737 1.00 0.66 H new ATOM 211 N LEU A 14 -1.050 -2.941 5.139 1.00 0.53 N ATOM 212 CA LEU A 14 -2.173 -2.806 4.234 1.00 0.59 C ATOM 213 C LEU A 14 -3.473 -3.131 4.984 1.00 0.75 C ATOM 214 O LEU A 14 -4.424 -2.336 4.983 1.00 1.02 O ATOM 215 CB LEU A 14 -1.984 -3.751 3.035 1.00 0.54 C ATOM 216 CG LEU A 14 -2.956 -3.582 1.871 1.00 0.62 C ATOM 217 CD1 LEU A 14 -2.811 -2.202 1.261 1.00 0.62 C ATOM 218 CD2 LEU A 14 -2.715 -4.644 0.818 1.00 1.06 C ATOM 0 H LEU A 14 -0.357 -3.629 4.844 1.00 0.53 H new ATOM 0 HA LEU A 14 -2.230 -1.783 3.863 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -0.971 -3.620 2.654 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -2.059 -4.777 3.395 1.00 0.54 H new ATOM 0 HG LEU A 14 -3.971 -3.694 2.252 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -3.510 -2.095 0.432 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -3.026 -1.446 2.016 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -1.792 -2.071 0.896 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -3.418 -4.507 -0.004 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -1.695 -4.559 0.442 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -2.858 -5.631 1.257 1.00 1.06 H new ATOM 230 N VAL A 15 -3.468 -4.270 5.675 1.00 0.71 N ATOM 231 CA VAL A 15 -4.607 -4.727 6.484 1.00 0.83 C ATOM 232 C VAL A 15 -4.956 -3.682 7.559 1.00 0.85 C ATOM 233 O VAL A 15 -6.087 -3.162 7.617 1.00 0.98 O ATOM 234 CB VAL A 15 -4.269 -6.088 7.191 1.00 0.89 C ATOM 235 CG1 VAL A 15 -5.383 -6.503 8.144 1.00 1.02 C ATOM 236 CG2 VAL A 15 -4.061 -7.190 6.168 1.00 0.91 C ATOM 0 H VAL A 15 -2.672 -4.908 5.692 1.00 0.71 H new ATOM 0 HA VAL A 15 -5.458 -4.864 5.817 1.00 0.83 H new ATOM 0 HB VAL A 15 -3.350 -5.938 7.757 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -5.122 -7.449 8.619 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -5.513 -5.736 8.908 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -6.313 -6.621 7.587 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -3.828 -8.123 6.681 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -4.970 -7.316 5.579 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -3.236 -6.923 5.508 1.00 0.91 H new ATOM 246 N GLU A 16 -3.972 -3.358 8.374 1.00 0.81 N ATOM 247 CA GLU A 16 -4.160 -2.492 9.532 1.00 0.87 C ATOM 248 C GLU A 16 -4.568 -1.055 9.156 1.00 0.89 C ATOM 249 O GLU A 16 -5.179 -0.350 9.962 1.00 1.05 O ATOM 250 CB GLU A 16 -2.901 -2.512 10.396 1.00 0.91 C ATOM 251 CG GLU A 16 -2.474 -3.930 10.750 1.00 1.00 C ATOM 252 CD GLU A 16 -1.274 -3.999 11.651 1.00 1.30 C ATOM 253 OE1 GLU A 16 -0.168 -3.657 11.224 1.00 1.90 O ATOM 254 OE2 GLU A 16 -1.431 -4.434 12.816 1.00 1.91 O ATOM 0 H GLU A 16 -3.014 -3.687 8.255 1.00 0.81 H new ATOM 0 HA GLU A 16 -4.997 -2.888 10.107 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -2.090 -2.011 9.867 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -3.081 -1.948 11.311 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -3.308 -4.440 11.233 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -2.257 -4.474 9.830 1.00 1.00 H new ATOM 261 N SER A 17 -4.261 -0.638 7.941 1.00 0.82 N ATOM 262 CA SER A 17 -4.624 0.698 7.485 1.00 0.93 C ATOM 263 C SER A 17 -6.050 0.734 6.932 1.00 1.03 C ATOM 264 O SER A 17 -6.633 1.809 6.749 1.00 1.22 O ATOM 265 CB SER A 17 -3.630 1.188 6.448 1.00 0.96 C ATOM 266 OG SER A 17 -2.307 1.182 6.990 1.00 1.58 O ATOM 0 H SER A 17 -3.763 -1.201 7.252 1.00 0.82 H new ATOM 0 HA SER A 17 -4.591 1.368 8.344 1.00 0.93 H new ATOM 0 HB2 SER A 17 -3.672 0.551 5.564 1.00 0.96 H new ATOM 0 HB3 SER A 17 -3.895 2.196 6.127 1.00 0.96 H new ATOM 0 HG SER A 17 -1.858 0.346 6.747 1.00 1.58 H new ATOM 272 N ALA A 18 -6.605 -0.440 6.661 1.00 1.04 N ATOM 273 CA ALA A 18 -7.971 -0.530 6.210 1.00 1.24 C ATOM 274 C ALA A 18 -8.875 -0.422 7.417 1.00 1.43 C ATOM 275 O ALA A 18 -9.825 0.365 7.442 1.00 1.88 O ATOM 276 CB ALA A 18 -8.214 -1.838 5.467 1.00 1.25 C ATOM 0 H ALA A 18 -6.125 -1.336 6.748 1.00 1.04 H new ATOM 0 HA ALA A 18 -8.184 0.280 5.513 1.00 1.24 H new ATOM 0 HB1 ALA A 18 -9.252 -1.882 5.137 1.00 1.25 H new ATOM 0 HB2 ALA A 18 -7.555 -1.892 4.600 1.00 1.25 H new ATOM 0 HB3 ALA A 18 -8.009 -2.677 6.131 1.00 1.25 H new ATOM 282 N GLY A 19 -8.553 -1.197 8.426 1.00 1.86 N ATOM 283 CA GLY A 19 -9.278 -1.147 9.657 1.00 2.13 C ATOM 284 C GLY A 19 -10.290 -2.245 9.762 1.00 2.09 C ATOM 285 O GLY A 19 -10.034 -3.370 9.344 1.00 2.45 O ATOM 0 H GLY A 19 -7.788 -1.871 8.410 1.00 1.86 H new ATOM 0 HA2 GLY A 19 -8.580 -1.218 10.491 1.00 2.13 H new ATOM 0 HA3 GLY A 19 -9.780 -0.183 9.742 1.00 2.13 H new ATOM 289 N GLU A 20 -11.462 -1.904 10.243 1.00 2.13 N ATOM 290 CA GLU A 20 -12.509 -2.882 10.493 1.00 2.46 C ATOM 291 C GLU A 20 -13.553 -2.828 9.379 1.00 2.48 C ATOM 292 O GLU A 20 -14.686 -3.291 9.548 1.00 3.18 O ATOM 293 CB GLU A 20 -13.180 -2.569 11.828 1.00 3.09 C ATOM 294 CG GLU A 20 -12.238 -2.483 13.023 1.00 3.54 C ATOM 295 CD GLU A 20 -11.536 -3.777 13.325 1.00 4.23 C ATOM 296 OE1 GLU A 20 -12.216 -4.763 13.645 1.00 4.67 O ATOM 297 OE2 GLU A 20 -10.289 -3.813 13.322 1.00 4.69 O ATOM 0 H GLU A 20 -11.722 -0.945 10.473 1.00 2.13 H new ATOM 0 HA GLU A 20 -12.069 -3.879 10.522 1.00 2.46 H new ATOM 0 HB2 GLU A 20 -13.712 -1.622 11.736 1.00 3.09 H new ATOM 0 HB3 GLU A 20 -13.928 -3.336 12.029 1.00 3.09 H new ATOM 0 HG2 GLU A 20 -11.493 -1.710 12.834 1.00 3.54 H new ATOM 0 HG3 GLU A 20 -12.804 -2.172 13.901 1.00 3.54 H new ATOM 304 N THR A 21 -13.146 -2.313 8.234 1.00 2.07 N ATOM 305 CA THR A 21 -14.017 -2.106 7.079 1.00 2.31 C ATOM 306 C THR A 21 -14.297 -3.460 6.323 1.00 2.42 C ATOM 307 O THR A 21 -14.054 -3.600 5.120 1.00 2.89 O ATOM 308 CB THR A 21 -13.392 -1.008 6.143 1.00 2.31 C ATOM 309 OG1 THR A 21 -14.280 -0.660 5.063 1.00 2.58 O ATOM 310 CG2 THR A 21 -12.034 -1.447 5.585 1.00 2.00 C ATOM 0 H THR A 21 -12.183 -2.019 8.072 1.00 2.07 H new ATOM 0 HA THR A 21 -14.988 -1.746 7.418 1.00 2.31 H new ATOM 0 HB THR A 21 -13.240 -0.123 6.760 1.00 2.31 H new ATOM 0 HG1 THR A 21 -14.511 -1.467 4.557 1.00 2.58 H new ATOM 0 HG21 THR A 21 -11.634 -0.662 4.943 1.00 2.00 H new ATOM 0 HG22 THR A 21 -11.344 -1.629 6.409 1.00 2.00 H new ATOM 0 HG23 THR A 21 -12.157 -2.362 5.006 1.00 2.00 H new ATOM 318 N ASP A 22 -14.861 -4.412 7.072 1.00 2.59 N ATOM 319 CA ASP A 22 -15.169 -5.778 6.609 1.00 2.92 C ATOM 320 C ASP A 22 -13.938 -6.625 6.545 1.00 2.46 C ATOM 321 O ASP A 22 -12.949 -6.272 5.894 1.00 3.05 O ATOM 322 CB ASP A 22 -15.940 -5.822 5.279 1.00 3.98 C ATOM 323 CG ASP A 22 -16.139 -7.230 4.741 1.00 4.45 C ATOM 324 OD1 ASP A 22 -16.937 -7.991 5.320 1.00 4.62 O ATOM 325 OD2 ASP A 22 -15.537 -7.577 3.700 1.00 4.98 O ATOM 0 H ASP A 22 -15.125 -4.254 8.045 1.00 2.59 H new ATOM 0 HA ASP A 22 -15.840 -6.197 7.359 1.00 2.92 H new ATOM 0 HB2 ASP A 22 -16.914 -5.353 5.417 1.00 3.98 H new ATOM 0 HB3 ASP A 22 -15.404 -5.230 4.537 1.00 3.98 H new ATOM 330 N GLY A 23 -13.982 -7.717 7.249 1.00 1.97 N ATOM 331 CA GLY A 23 -12.879 -8.611 7.274 1.00 2.01 C ATOM 332 C GLY A 23 -12.697 -9.319 5.959 1.00 1.57 C ATOM 333 O GLY A 23 -13.388 -10.304 5.661 1.00 1.97 O ATOM 0 H GLY A 23 -14.780 -8.005 7.815 1.00 1.97 H new ATOM 0 HA2 GLY A 23 -11.971 -8.060 7.517 1.00 2.01 H new ATOM 0 HA3 GLY A 23 -13.027 -9.347 8.064 1.00 2.01 H new ATOM 337 N THR A 24 -11.833 -8.773 5.166 1.00 1.42 N ATOM 338 CA THR A 24 -11.475 -9.298 3.896 1.00 1.24 C ATOM 339 C THR A 24 -10.083 -9.948 4.040 1.00 1.16 C ATOM 340 O THR A 24 -9.147 -9.336 4.571 1.00 1.49 O ATOM 341 CB THR A 24 -11.504 -8.138 2.832 1.00 1.62 C ATOM 342 OG1 THR A 24 -11.147 -8.598 1.516 1.00 2.43 O ATOM 343 CG2 THR A 24 -10.630 -6.945 3.231 1.00 1.98 C ATOM 0 H THR A 24 -11.338 -7.912 5.399 1.00 1.42 H new ATOM 0 HA THR A 24 -12.176 -10.058 3.550 1.00 1.24 H new ATOM 0 HB THR A 24 -12.538 -7.795 2.805 1.00 1.62 H new ATOM 0 HG1 THR A 24 -11.179 -7.847 0.887 1.00 2.43 H new ATOM 0 HG21 THR A 24 -10.689 -6.177 2.460 1.00 1.98 H new ATOM 0 HG22 THR A 24 -10.982 -6.537 4.178 1.00 1.98 H new ATOM 0 HG23 THR A 24 -9.596 -7.272 3.339 1.00 1.98 H new ATOM 351 N ASP A 25 -9.982 -11.218 3.690 1.00 1.06 N ATOM 352 CA ASP A 25 -8.721 -11.954 3.861 1.00 1.14 C ATOM 353 C ASP A 25 -7.656 -11.480 2.887 1.00 0.91 C ATOM 354 O ASP A 25 -7.777 -11.652 1.667 1.00 1.11 O ATOM 355 CB ASP A 25 -8.911 -13.472 3.714 1.00 1.52 C ATOM 356 CG ASP A 25 -7.657 -14.254 4.090 1.00 1.99 C ATOM 357 OD1 ASP A 25 -6.692 -14.312 3.297 1.00 2.41 O ATOM 358 OD2 ASP A 25 -7.618 -14.837 5.195 1.00 2.49 O ATOM 0 H ASP A 25 -10.744 -11.765 3.289 1.00 1.06 H new ATOM 0 HA ASP A 25 -8.387 -11.745 4.877 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -9.740 -13.794 4.345 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -9.185 -13.703 2.685 1.00 1.52 H new ATOM 363 N LEU A 26 -6.640 -10.865 3.422 1.00 0.84 N ATOM 364 CA LEU A 26 -5.491 -10.404 2.660 1.00 0.77 C ATOM 365 C LEU A 26 -4.275 -11.178 3.102 1.00 0.86 C ATOM 366 O LEU A 26 -3.143 -10.768 2.896 1.00 1.05 O ATOM 367 CB LEU A 26 -5.242 -8.892 2.865 1.00 0.94 C ATOM 368 CG LEU A 26 -5.973 -7.909 1.931 1.00 0.85 C ATOM 369 CD1 LEU A 26 -7.469 -8.056 2.004 1.00 1.22 C ATOM 370 CD2 LEU A 26 -5.570 -6.488 2.255 1.00 1.11 C ATOM 0 H LEU A 26 -6.576 -10.661 4.419 1.00 0.84 H new ATOM 0 HA LEU A 26 -5.689 -10.568 1.601 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -5.514 -8.644 3.891 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -4.171 -8.713 2.767 1.00 0.94 H new ATOM 0 HG LEU A 26 -5.676 -8.149 0.910 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -7.938 -7.341 1.328 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -7.750 -9.068 1.714 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -7.804 -7.865 3.023 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -6.092 -5.801 1.589 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -5.833 -6.262 3.288 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -4.494 -6.375 2.121 1.00 1.11 H new ATOM 382 N SER A 27 -4.511 -12.332 3.656 1.00 0.96 N ATOM 383 CA SER A 27 -3.444 -13.121 4.189 1.00 1.13 C ATOM 384 C SER A 27 -3.048 -14.207 3.183 1.00 1.20 C ATOM 385 O SER A 27 -2.191 -15.054 3.443 1.00 1.66 O ATOM 386 CB SER A 27 -3.866 -13.701 5.546 1.00 1.36 C ATOM 387 OG SER A 27 -2.785 -14.294 6.238 1.00 1.89 O ATOM 0 H SER A 27 -5.438 -12.747 3.750 1.00 0.96 H new ATOM 0 HA SER A 27 -2.562 -12.503 4.357 1.00 1.13 H new ATOM 0 HB2 SER A 27 -4.296 -12.909 6.159 1.00 1.36 H new ATOM 0 HB3 SER A 27 -4.648 -14.445 5.393 1.00 1.36 H new ATOM 0 HG SER A 27 -2.227 -14.795 5.606 1.00 1.89 H new ATOM 393 N GLY A 28 -3.654 -14.156 2.032 1.00 1.48 N ATOM 394 CA GLY A 28 -3.357 -15.101 1.001 1.00 1.67 C ATOM 395 C GLY A 28 -3.626 -14.542 -0.367 1.00 1.54 C ATOM 396 O GLY A 28 -4.725 -14.054 -0.623 1.00 2.30 O ATOM 0 H GLY A 28 -4.361 -13.464 1.785 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -2.311 -15.399 1.072 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -3.955 -16.000 1.150 1.00 1.67 H new ATOM 400 N ASP A 29 -2.581 -14.536 -1.199 1.00 1.09 N ATOM 401 CA ASP A 29 -2.619 -14.165 -2.639 1.00 1.07 C ATOM 402 C ASP A 29 -3.335 -12.851 -2.923 1.00 0.87 C ATOM 403 O ASP A 29 -3.961 -12.665 -3.970 1.00 1.13 O ATOM 404 CB ASP A 29 -3.172 -15.328 -3.481 1.00 1.48 C ATOM 405 CG ASP A 29 -2.239 -16.530 -3.445 1.00 2.24 C ATOM 406 OD1 ASP A 29 -1.330 -16.625 -4.303 1.00 2.56 O ATOM 407 OD2 ASP A 29 -2.349 -17.370 -2.528 1.00 2.97 O ATOM 0 H ASP A 29 -1.645 -14.797 -0.889 1.00 1.09 H new ATOM 0 HA ASP A 29 -1.587 -13.982 -2.940 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -4.154 -15.616 -3.106 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -3.308 -15.001 -4.512 1.00 1.48 H new ATOM 412 N PHE A 30 -3.136 -11.905 -2.033 1.00 0.67 N ATOM 413 CA PHE A 30 -3.761 -10.585 -2.116 1.00 0.57 C ATOM 414 C PHE A 30 -2.962 -9.662 -3.044 1.00 0.49 C ATOM 415 O PHE A 30 -3.395 -8.569 -3.357 1.00 0.48 O ATOM 416 CB PHE A 30 -3.799 -9.947 -0.706 1.00 0.59 C ATOM 417 CG PHE A 30 -2.432 -9.522 -0.189 1.00 0.55 C ATOM 418 CD1 PHE A 30 -1.496 -10.462 0.228 1.00 0.64 C ATOM 419 CD2 PHE A 30 -2.082 -8.179 -0.160 1.00 0.58 C ATOM 420 CE1 PHE A 30 -0.249 -10.070 0.661 1.00 0.74 C ATOM 421 CE2 PHE A 30 -0.831 -7.784 0.269 1.00 0.65 C ATOM 422 CZ PHE A 30 0.083 -8.729 0.680 1.00 0.73 C ATOM 0 H PHE A 30 -2.532 -12.022 -1.220 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.769 -10.707 -2.512 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.456 -9.077 -0.728 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -4.237 -10.659 -0.006 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -1.750 -11.512 0.212 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -2.797 -7.434 -0.477 1.00 0.58 H new ATOM 0 HE1 PHE A 30 0.468 -10.810 0.985 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -0.569 -6.736 0.282 1.00 0.65 H new ATOM 0 HZ PHE A 30 1.061 -8.421 1.018 1.00 0.73 H new ATOM 432 N LEU A 31 -1.812 -10.143 -3.496 1.00 0.54 N ATOM 433 CA LEU A 31 -0.849 -9.335 -4.247 1.00 0.60 C ATOM 434 C LEU A 31 -1.447 -8.746 -5.532 1.00 0.63 C ATOM 435 O LEU A 31 -1.150 -7.601 -5.899 1.00 0.72 O ATOM 436 CB LEU A 31 0.399 -10.164 -4.558 1.00 0.75 C ATOM 437 CG LEU A 31 1.595 -9.389 -5.105 1.00 0.82 C ATOM 438 CD1 LEU A 31 2.061 -8.350 -4.092 1.00 0.75 C ATOM 439 CD2 LEU A 31 2.726 -10.335 -5.441 1.00 1.43 C ATOM 0 H LEU A 31 -1.515 -11.109 -3.354 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.573 -8.489 -3.618 1.00 0.60 H new ATOM 0 HB2 LEU A 31 0.708 -10.675 -3.646 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.129 -10.935 -5.280 1.00 0.75 H new ATOM 0 HG LEU A 31 1.288 -8.875 -6.016 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.914 -7.805 -4.496 1.00 0.75 H new ATOM 0 HD12 LEU A 31 1.249 -7.652 -3.887 1.00 0.75 H new ATOM 0 HD13 LEU A 31 2.353 -8.848 -3.168 1.00 0.75 H new ATOM 0 HD21 LEU A 31 3.572 -9.768 -5.830 1.00 1.43 H new ATOM 0 HD22 LEU A 31 3.031 -10.871 -4.542 1.00 1.43 H new ATOM 0 HD23 LEU A 31 2.392 -11.049 -6.193 1.00 1.43 H new ATOM 451 N ASP A 32 -2.288 -9.517 -6.193 1.00 0.66 N ATOM 452 CA ASP A 32 -2.935 -9.060 -7.427 1.00 0.83 C ATOM 453 C ASP A 32 -4.418 -8.925 -7.238 1.00 0.73 C ATOM 454 O ASP A 32 -5.194 -8.906 -8.203 1.00 0.96 O ATOM 455 CB ASP A 32 -2.620 -9.976 -8.614 1.00 1.10 C ATOM 456 CG ASP A 32 -1.182 -9.879 -9.040 1.00 1.70 C ATOM 457 OD1 ASP A 32 -0.775 -8.834 -9.580 1.00 2.33 O ATOM 458 OD2 ASP A 32 -0.420 -10.835 -8.834 1.00 2.26 O ATOM 0 H ASP A 32 -2.545 -10.461 -5.905 1.00 0.66 H new ATOM 0 HA ASP A 32 -2.526 -8.077 -7.658 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -2.849 -11.007 -8.346 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -3.264 -9.715 -9.453 1.00 1.10 H new ATOM 463 N LEU A 33 -4.815 -8.808 -6.001 1.00 0.50 N ATOM 464 CA LEU A 33 -6.194 -8.605 -5.662 1.00 0.50 C ATOM 465 C LEU A 33 -6.393 -7.100 -5.649 1.00 0.50 C ATOM 466 O LEU A 33 -5.617 -6.387 -5.036 1.00 0.78 O ATOM 467 CB LEU A 33 -6.489 -9.250 -4.301 1.00 0.49 C ATOM 468 CG LEU A 33 -7.947 -9.316 -3.865 1.00 0.64 C ATOM 469 CD1 LEU A 33 -8.781 -10.064 -4.898 1.00 0.77 C ATOM 470 CD2 LEU A 33 -8.035 -10.019 -2.527 1.00 0.70 C ATOM 0 H LEU A 33 -4.188 -8.851 -5.198 1.00 0.50 H new ATOM 0 HA LEU A 33 -6.881 -9.067 -6.371 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -6.094 -10.266 -4.316 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.933 -8.703 -3.540 1.00 0.49 H new ATOM 0 HG LEU A 33 -8.338 -8.302 -3.776 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -9.820 -10.101 -4.569 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.722 -9.548 -5.856 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.399 -11.079 -5.008 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -9.077 -10.069 -2.210 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.635 -11.029 -2.620 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -7.457 -9.466 -1.787 1.00 0.70 H new ATOM 482 N ARG A 34 -7.409 -6.625 -6.308 1.00 0.34 N ATOM 483 CA ARG A 34 -7.514 -5.208 -6.587 1.00 0.37 C ATOM 484 C ARG A 34 -8.027 -4.447 -5.390 1.00 0.35 C ATOM 485 O ARG A 34 -8.798 -4.982 -4.588 1.00 0.40 O ATOM 486 CB ARG A 34 -8.438 -4.981 -7.773 1.00 0.45 C ATOM 487 CG ARG A 34 -8.097 -5.836 -8.988 1.00 0.60 C ATOM 488 CD ARG A 34 -9.067 -5.589 -10.126 1.00 1.01 C ATOM 489 NE ARG A 34 -9.008 -4.208 -10.575 1.00 1.74 N ATOM 490 CZ ARG A 34 -9.944 -3.567 -11.271 1.00 2.51 C ATOM 491 NH1 ARG A 34 -10.988 -4.221 -11.767 1.00 2.74 N ATOM 492 NH2 ARG A 34 -9.801 -2.271 -11.510 1.00 3.50 N ATOM 0 H ARG A 34 -8.179 -7.190 -6.665 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.516 -4.838 -6.822 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.463 -5.191 -7.469 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -8.398 -3.929 -8.057 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -7.082 -5.614 -9.318 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -8.119 -6.890 -8.711 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -8.834 -6.255 -10.957 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -10.080 -5.826 -9.802 1.00 1.01 H new ATOM 0 HE ARG A 34 -8.169 -3.680 -10.334 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -11.079 -5.226 -11.616 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -11.699 -3.719 -12.299 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -8.980 -1.776 -11.162 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -10.512 -1.769 -12.042 1.00 3.50 H new ATOM 506 N PHE A 35 -7.613 -3.182 -5.278 1.00 0.36 N ATOM 507 CA PHE A 35 -8.086 -2.300 -4.213 1.00 0.39 C ATOM 508 C PHE A 35 -9.583 -2.101 -4.316 1.00 0.47 C ATOM 509 O PHE A 35 -10.253 -1.837 -3.323 1.00 0.54 O ATOM 510 CB PHE A 35 -7.351 -0.942 -4.209 1.00 0.41 C ATOM 511 CG PHE A 35 -5.887 -1.034 -3.874 1.00 0.38 C ATOM 512 CD1 PHE A 35 -5.467 -1.579 -2.677 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.928 -0.583 -4.768 1.00 0.42 C ATOM 514 CE1 PHE A 35 -4.123 -1.672 -2.373 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.586 -0.675 -4.468 1.00 0.47 C ATOM 516 CZ PHE A 35 -3.188 -1.184 -3.242 1.00 0.47 C ATOM 0 H PHE A 35 -6.948 -2.746 -5.917 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.860 -2.787 -3.264 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -7.459 -0.480 -5.190 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.836 -0.281 -3.490 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.199 -1.937 -1.969 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -5.236 -0.155 -5.710 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.810 -2.131 -1.447 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.847 -0.351 -5.186 1.00 0.47 H new ATOM 0 HZ PHE A 35 -2.142 -1.195 -2.974 1.00 0.47 H new ATOM 526 N GLU A 36 -10.097 -2.245 -5.525 1.00 0.57 N ATOM 527 CA GLU A 36 -11.516 -2.159 -5.779 1.00 0.76 C ATOM 528 C GLU A 36 -12.235 -3.354 -5.141 1.00 0.74 C ATOM 529 O GLU A 36 -13.289 -3.187 -4.529 1.00 0.87 O ATOM 530 CB GLU A 36 -11.770 -2.116 -7.280 1.00 0.97 C ATOM 531 CG GLU A 36 -11.106 -0.938 -7.984 1.00 1.31 C ATOM 532 CD GLU A 36 -11.597 0.402 -7.473 1.00 1.56 C ATOM 533 OE1 GLU A 36 -12.662 0.881 -7.935 1.00 2.06 O ATOM 534 OE2 GLU A 36 -10.937 1.006 -6.609 1.00 1.81 O ATOM 0 H GLU A 36 -9.536 -2.425 -6.358 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.908 -1.244 -5.335 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -11.411 -3.043 -7.726 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -12.845 -2.073 -7.456 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -10.026 -1.001 -7.848 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -11.297 -1.006 -9.055 1.00 1.31 H new ATOM 541 N ASP A 37 -11.628 -4.553 -5.257 1.00 0.66 N ATOM 542 CA ASP A 37 -12.183 -5.785 -4.656 1.00 0.73 C ATOM 543 C ASP A 37 -12.201 -5.650 -3.168 1.00 0.73 C ATOM 544 O ASP A 37 -13.222 -5.852 -2.517 1.00 0.89 O ATOM 545 CB ASP A 37 -11.327 -7.040 -4.946 1.00 0.75 C ATOM 546 CG ASP A 37 -11.295 -7.513 -6.364 1.00 1.29 C ATOM 547 OD1 ASP A 37 -12.244 -8.193 -6.804 1.00 1.28 O ATOM 548 OD2 ASP A 37 -10.294 -7.292 -7.046 1.00 2.20 O ATOM 0 H ASP A 37 -10.753 -4.695 -5.761 1.00 0.66 H new ATOM 0 HA ASP A 37 -13.175 -5.906 -5.091 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -10.304 -6.835 -4.632 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -11.695 -7.855 -4.323 1.00 0.75 H new ATOM 553 N ILE A 38 -11.059 -5.262 -2.632 1.00 0.63 N ATOM 554 CA ILE A 38 -10.857 -5.199 -1.200 1.00 0.68 C ATOM 555 C ILE A 38 -11.380 -3.909 -0.564 1.00 0.68 C ATOM 556 O ILE A 38 -11.136 -3.638 0.603 1.00 0.73 O ATOM 557 CB ILE A 38 -9.380 -5.489 -0.808 1.00 0.68 C ATOM 558 CG1 ILE A 38 -8.427 -4.493 -1.489 1.00 0.55 C ATOM 559 CG2 ILE A 38 -9.026 -6.913 -1.209 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.948 -4.726 -1.205 1.00 0.64 C ATOM 0 H ILE A 38 -10.245 -4.982 -3.180 1.00 0.63 H new ATOM 0 HA ILE A 38 -11.468 -5.998 -0.780 1.00 0.68 H new ATOM 0 HB ILE A 38 -9.271 -5.374 0.270 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -8.587 -4.538 -2.566 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -8.689 -3.484 -1.169 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -7.991 -7.121 -0.936 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -9.685 -7.611 -0.692 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.148 -7.029 -2.286 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.355 -3.976 -1.727 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -6.767 -4.650 -0.133 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -6.663 -5.719 -1.552 1.00 0.64 H new ATOM 572 N GLY A 39 -12.158 -3.167 -1.343 1.00 0.69 N ATOM 573 CA GLY A 39 -12.841 -1.970 -0.878 1.00 0.77 C ATOM 574 C GLY A 39 -11.949 -0.910 -0.248 1.00 0.65 C ATOM 575 O GLY A 39 -12.257 -0.407 0.842 1.00 0.74 O ATOM 0 H GLY A 39 -12.333 -3.383 -2.324 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.368 -1.523 -1.721 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -13.597 -2.264 -0.150 1.00 0.77 H new ATOM 579 N TYR A 40 -10.866 -0.554 -0.903 1.00 0.52 N ATOM 580 CA TYR A 40 -10.026 0.494 -0.372 1.00 0.47 C ATOM 581 C TYR A 40 -10.510 1.847 -0.752 1.00 0.49 C ATOM 582 O TYR A 40 -10.750 2.147 -1.929 1.00 0.61 O ATOM 583 CB TYR A 40 -8.519 0.324 -0.639 1.00 0.46 C ATOM 584 CG TYR A 40 -7.851 -0.612 0.337 1.00 0.50 C ATOM 585 CD1 TYR A 40 -8.414 -1.843 0.645 1.00 0.62 C ATOM 586 CD2 TYR A 40 -6.660 -0.275 0.942 1.00 0.61 C ATOM 587 CE1 TYR A 40 -7.801 -2.701 1.534 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.041 -1.122 1.829 1.00 0.78 C ATOM 589 CZ TYR A 40 -6.635 -2.334 2.139 1.00 0.81 C ATOM 590 OH TYR A 40 -5.991 -3.159 3.020 1.00 1.02 O ATOM 0 H TYR A 40 -10.552 -0.964 -1.783 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.123 0.393 0.709 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -8.375 -0.052 -1.652 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -8.034 1.299 -0.589 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -9.346 -2.133 0.182 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.203 0.676 0.714 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -8.244 -3.662 1.751 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.100 -0.845 2.280 1.00 0.78 H new ATOM 0 HH TYR A 40 -5.576 -2.622 3.727 1.00 1.02 H new ATOM 600 N ASP A 41 -10.712 2.640 0.260 1.00 0.48 N ATOM 601 CA ASP A 41 -11.130 4.006 0.121 1.00 0.56 C ATOM 602 C ASP A 41 -9.942 4.808 -0.381 1.00 0.45 C ATOM 603 O ASP A 41 -8.794 4.326 -0.366 1.00 0.39 O ATOM 604 CB ASP A 41 -11.540 4.547 1.496 1.00 0.75 C ATOM 605 CG ASP A 41 -12.318 5.847 1.464 1.00 1.11 C ATOM 606 OD1 ASP A 41 -11.691 6.914 1.417 1.00 2.01 O ATOM 607 OD2 ASP A 41 -13.555 5.814 1.432 1.00 1.20 O ATOM 0 H ASP A 41 -10.588 2.348 1.229 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.970 4.080 -0.570 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -12.142 3.793 2.002 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -10.641 4.693 2.096 1.00 0.75 H new ATOM 612 N SER A 42 -10.191 6.007 -0.723 1.00 0.57 N ATOM 613 CA SER A 42 -9.199 6.894 -1.222 1.00 0.62 C ATOM 614 C SER A 42 -8.314 7.343 -0.079 1.00 0.53 C ATOM 615 O SER A 42 -7.092 7.398 -0.207 1.00 0.54 O ATOM 616 CB SER A 42 -9.898 8.045 -1.906 1.00 0.83 C ATOM 617 OG SER A 42 -11.150 8.336 -1.190 1.00 1.24 O ATOM 0 H SER A 42 -11.121 6.422 -0.665 1.00 0.57 H new ATOM 0 HA SER A 42 -8.554 6.407 -1.954 1.00 0.62 H new ATOM 0 HB2 SER A 42 -9.255 8.925 -1.914 1.00 0.83 H new ATOM 0 HB3 SER A 42 -10.108 7.794 -2.946 1.00 0.83 H new ATOM 622 N LEU A 43 -8.941 7.586 1.068 1.00 0.53 N ATOM 623 CA LEU A 43 -8.221 7.952 2.273 1.00 0.54 C ATOM 624 C LEU A 43 -7.388 6.788 2.734 1.00 0.45 C ATOM 625 O LEU A 43 -6.212 6.945 3.059 1.00 0.47 O ATOM 626 CB LEU A 43 -9.176 8.367 3.394 1.00 0.68 C ATOM 627 CG LEU A 43 -10.001 9.624 3.154 1.00 0.83 C ATOM 628 CD1 LEU A 43 -10.933 9.867 4.327 1.00 1.00 C ATOM 629 CD2 LEU A 43 -9.091 10.820 2.950 1.00 0.90 C ATOM 0 H LEU A 43 -9.953 7.534 1.184 1.00 0.53 H new ATOM 0 HA LEU A 43 -7.582 8.803 2.038 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -9.861 7.540 3.582 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -8.593 8.511 4.303 1.00 0.68 H new ATOM 0 HG LEU A 43 -10.598 9.485 2.253 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -11.519 10.768 4.146 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -11.604 9.015 4.441 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -10.347 9.992 5.237 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -9.695 11.712 2.779 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -8.474 10.963 3.837 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -8.449 10.646 2.086 1.00 0.90 H new ATOM 641 N ALA A 44 -7.993 5.605 2.671 1.00 0.44 N ATOM 642 CA ALA A 44 -7.366 4.371 3.108 1.00 0.41 C ATOM 643 C ALA A 44 -6.066 4.106 2.361 1.00 0.35 C ATOM 644 O ALA A 44 -5.106 3.640 2.953 1.00 0.38 O ATOM 645 CB ALA A 44 -8.322 3.193 2.961 1.00 0.43 C ATOM 0 H ALA A 44 -8.939 5.480 2.312 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.122 4.486 4.164 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -7.829 2.280 3.295 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.211 3.368 3.567 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.611 3.087 1.915 1.00 0.43 H new ATOM 651 N LEU A 45 -6.036 4.426 1.065 1.00 0.34 N ATOM 652 CA LEU A 45 -4.837 4.235 0.248 1.00 0.33 C ATOM 653 C LEU A 45 -3.707 5.119 0.836 1.00 0.32 C ATOM 654 O LEU A 45 -2.593 4.641 1.099 1.00 0.36 O ATOM 655 CB LEU A 45 -5.127 4.661 -1.226 1.00 0.48 C ATOM 656 CG LEU A 45 -4.193 4.135 -2.368 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.733 4.261 -2.061 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.492 2.722 -2.756 1.00 0.37 C ATOM 0 H LEU A 45 -6.830 4.819 0.559 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.539 3.186 0.255 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -6.144 4.350 -1.464 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.110 5.750 -1.263 1.00 0.48 H new ATOM 0 HG LEU A 45 -4.416 4.790 -3.210 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -2.151 3.876 -2.898 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.485 5.310 -1.898 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -2.499 3.689 -1.163 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.814 2.412 -3.551 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.359 2.071 -1.892 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -5.521 2.651 -3.109 1.00 0.37 H new ATOM 670 N MET A 46 -4.040 6.390 1.085 1.00 0.37 N ATOM 671 CA MET A 46 -3.075 7.396 1.593 1.00 0.46 C ATOM 672 C MET A 46 -2.564 6.946 2.916 1.00 0.48 C ATOM 673 O MET A 46 -1.382 6.883 3.147 1.00 0.54 O ATOM 674 CB MET A 46 -3.753 8.753 1.818 1.00 0.59 C ATOM 675 CG MET A 46 -4.716 9.111 0.763 1.00 0.54 C ATOM 676 SD MET A 46 -5.306 10.799 0.909 1.00 0.89 S ATOM 677 CE MET A 46 -6.366 10.877 -0.527 1.00 1.84 C ATOM 0 H MET A 46 -4.980 6.759 0.944 1.00 0.37 H new ATOM 0 HA MET A 46 -2.279 7.498 0.856 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.268 8.738 2.779 1.00 0.59 H new ATOM 0 HB3 MET A 46 -2.988 9.527 1.878 1.00 0.59 H new ATOM 0 HG2 MET A 46 -4.247 8.977 -0.212 1.00 0.54 H new ATOM 0 HG3 MET A 46 -5.565 8.429 0.805 1.00 0.54 H new ATOM 0 HE1 MET A 46 -6.678 11.908 -0.693 1.00 1.84 H new ATOM 0 HE2 MET A 46 -5.822 10.517 -1.400 1.00 1.84 H new ATOM 0 HE3 MET A 46 -7.245 10.254 -0.364 1.00 1.84 H new ATOM 687 N GLU A 47 -3.495 6.616 3.757 1.00 0.49 N ATOM 688 CA GLU A 47 -3.258 6.149 5.091 1.00 0.55 C ATOM 689 C GLU A 47 -2.363 4.894 5.122 1.00 0.54 C ATOM 690 O GLU A 47 -1.512 4.756 6.005 1.00 0.71 O ATOM 691 CB GLU A 47 -4.604 5.929 5.728 1.00 0.58 C ATOM 692 CG GLU A 47 -5.280 7.214 6.169 1.00 0.82 C ATOM 693 CD GLU A 47 -6.595 6.982 6.857 1.00 1.48 C ATOM 694 OE1 GLU A 47 -7.590 6.689 6.188 1.00 1.84 O ATOM 695 OE2 GLU A 47 -6.661 7.108 8.102 1.00 2.31 O ATOM 0 H GLU A 47 -4.486 6.667 3.523 1.00 0.49 H new ATOM 0 HA GLU A 47 -2.698 6.890 5.661 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.252 5.411 5.021 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -4.486 5.274 6.592 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -4.615 7.755 6.842 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -5.439 7.851 5.299 1.00 0.82 H new ATOM 702 N THR A 48 -2.539 4.020 4.147 1.00 0.42 N ATOM 703 CA THR A 48 -1.691 2.846 3.978 1.00 0.42 C ATOM 704 C THR A 48 -0.250 3.303 3.672 1.00 0.39 C ATOM 705 O THR A 48 0.699 2.977 4.410 1.00 0.41 O ATOM 706 CB THR A 48 -2.227 1.981 2.802 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.555 1.520 3.097 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.327 0.787 2.523 1.00 0.45 C ATOM 0 H THR A 48 -3.276 4.102 3.446 1.00 0.42 H new ATOM 0 HA THR A 48 -1.700 2.252 4.892 1.00 0.42 H new ATOM 0 HB THR A 48 -2.241 2.610 1.912 1.00 0.41 H new ATOM 0 HG1 THR A 48 -4.179 2.275 3.059 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.736 0.208 1.695 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.328 1.137 2.262 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.271 0.158 3.412 1.00 0.45 H new ATOM 716 N ALA A 49 -0.111 4.073 2.593 1.00 0.39 N ATOM 717 CA ALA A 49 1.178 4.572 2.144 1.00 0.40 C ATOM 718 C ALA A 49 1.874 5.372 3.245 1.00 0.42 C ATOM 719 O ALA A 49 3.025 5.102 3.568 1.00 0.41 O ATOM 720 CB ALA A 49 1.012 5.417 0.887 1.00 0.43 C ATOM 0 H ALA A 49 -0.894 4.366 2.008 1.00 0.39 H new ATOM 0 HA ALA A 49 1.808 3.715 1.906 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.986 5.783 0.563 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.572 4.810 0.096 1.00 0.43 H new ATOM 0 HB3 ALA A 49 0.359 6.263 1.101 1.00 0.43 H new ATOM 726 N ALA A 50 1.142 6.299 3.852 1.00 0.46 N ATOM 727 CA ALA A 50 1.653 7.172 4.911 1.00 0.51 C ATOM 728 C ALA A 50 2.208 6.381 6.086 1.00 0.49 C ATOM 729 O ALA A 50 3.203 6.786 6.703 1.00 0.49 O ATOM 730 CB ALA A 50 0.565 8.123 5.393 1.00 0.62 C ATOM 0 H ALA A 50 0.163 6.470 3.622 1.00 0.46 H new ATOM 0 HA ALA A 50 2.472 7.749 4.482 1.00 0.51 H new ATOM 0 HB1 ALA A 50 0.964 8.763 6.180 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.226 8.739 4.561 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.274 7.548 5.784 1.00 0.62 H new ATOM 736 N ARG A 51 1.594 5.240 6.387 1.00 0.51 N ATOM 737 CA ARG A 51 2.066 4.417 7.481 1.00 0.54 C ATOM 738 C ARG A 51 3.423 3.837 7.143 1.00 0.50 C ATOM 739 O ARG A 51 4.328 3.796 7.985 1.00 0.61 O ATOM 740 CB ARG A 51 1.100 3.279 7.831 1.00 0.62 C ATOM 741 CG ARG A 51 1.530 2.486 9.073 1.00 0.87 C ATOM 742 CD ARG A 51 1.285 3.248 10.388 1.00 1.36 C ATOM 743 NE ARG A 51 1.754 4.657 10.381 1.00 2.18 N ATOM 744 CZ ARG A 51 1.033 5.697 10.847 1.00 3.05 C ATOM 745 NH1 ARG A 51 -0.111 5.475 11.499 1.00 3.48 N ATOM 746 NH2 ARG A 51 1.482 6.944 10.680 1.00 3.91 N ATOM 0 H ARG A 51 0.780 4.873 5.893 1.00 0.51 H new ATOM 0 HA ARG A 51 2.135 5.065 8.354 1.00 0.54 H new ATOM 0 HB2 ARG A 51 0.105 3.693 7.998 1.00 0.62 H new ATOM 0 HB3 ARG A 51 1.025 2.600 6.982 1.00 0.62 H new ATOM 0 HG2 ARG A 51 0.987 1.541 9.100 1.00 0.87 H new ATOM 0 HG3 ARG A 51 2.589 2.242 8.993 1.00 0.87 H new ATOM 0 HD2 ARG A 51 0.217 3.235 10.607 1.00 1.36 H new ATOM 0 HD3 ARG A 51 1.783 2.717 11.199 1.00 1.36 H new ATOM 0 HE ARG A 51 2.680 4.850 10.000 1.00 2.18 H new ATOM 0 HH11 ARG A 51 -0.438 4.520 11.644 1.00 3.48 H new ATOM 0 HH12 ARG A 51 -0.657 6.261 11.852 1.00 3.48 H new ATOM 0 HH21 ARG A 51 2.368 7.107 10.201 1.00 3.91 H new ATOM 0 HH22 ARG A 51 0.939 7.733 11.031 1.00 3.91 H new ATOM 760 N LEU A 52 3.568 3.431 5.905 1.00 0.41 N ATOM 761 CA LEU A 52 4.807 2.870 5.420 1.00 0.39 C ATOM 762 C LEU A 52 5.877 3.960 5.377 1.00 0.36 C ATOM 763 O LEU A 52 7.035 3.726 5.722 1.00 0.38 O ATOM 764 CB LEU A 52 4.593 2.252 4.041 1.00 0.36 C ATOM 765 CG LEU A 52 3.567 1.115 3.982 1.00 0.39 C ATOM 766 CD1 LEU A 52 3.360 0.646 2.555 1.00 0.41 C ATOM 767 CD2 LEU A 52 4.008 -0.044 4.869 1.00 0.48 C ATOM 0 H LEU A 52 2.829 3.480 5.204 1.00 0.41 H new ATOM 0 HA LEU A 52 5.144 2.082 6.094 1.00 0.39 H new ATOM 0 HB2 LEU A 52 4.279 3.038 3.354 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.549 1.875 3.678 1.00 0.36 H new ATOM 0 HG LEU A 52 2.615 1.494 4.353 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.628 -0.161 2.540 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.998 1.476 1.948 1.00 0.41 H new ATOM 0 HD13 LEU A 52 4.305 0.286 2.150 1.00 0.41 H new ATOM 0 HD21 LEU A 52 3.269 -0.844 4.817 1.00 0.48 H new ATOM 0 HD22 LEU A 52 4.973 -0.418 4.526 1.00 0.48 H new ATOM 0 HD23 LEU A 52 4.098 0.300 5.899 1.00 0.48 H new ATOM 779 N GLU A 53 5.459 5.158 5.003 1.00 0.35 N ATOM 780 CA GLU A 53 6.325 6.330 4.977 1.00 0.37 C ATOM 781 C GLU A 53 6.860 6.630 6.378 1.00 0.41 C ATOM 782 O GLU A 53 8.023 6.960 6.530 1.00 0.45 O ATOM 783 CB GLU A 53 5.566 7.552 4.469 1.00 0.40 C ATOM 784 CG GLU A 53 4.972 7.401 3.087 1.00 0.44 C ATOM 785 CD GLU A 53 4.181 8.616 2.660 1.00 0.56 C ATOM 786 OE1 GLU A 53 3.703 9.354 3.514 1.00 0.91 O ATOM 787 OE2 GLU A 53 4.022 8.855 1.450 1.00 0.65 O ATOM 0 H GLU A 53 4.502 5.348 4.706 1.00 0.35 H new ATOM 0 HA GLU A 53 7.155 6.114 4.305 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.764 7.781 5.171 1.00 0.40 H new ATOM 0 HB3 GLU A 53 6.242 8.407 4.467 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.772 7.222 2.369 1.00 0.44 H new ATOM 0 HG3 GLU A 53 4.324 6.525 3.067 1.00 0.44 H new ATOM 794 N SER A 54 6.004 6.455 7.398 1.00 0.45 N ATOM 795 CA SER A 54 6.371 6.738 8.791 1.00 0.54 C ATOM 796 C SER A 54 7.555 5.845 9.239 1.00 0.52 C ATOM 797 O SER A 54 8.453 6.279 9.973 1.00 0.62 O ATOM 798 CB SER A 54 5.164 6.471 9.710 1.00 0.69 C ATOM 799 OG SER A 54 3.987 7.168 9.285 1.00 1.38 O ATOM 0 H SER A 54 5.049 6.117 7.280 1.00 0.45 H new ATOM 0 HA SER A 54 6.670 7.784 8.861 1.00 0.54 H new ATOM 0 HB2 SER A 54 4.960 5.401 9.734 1.00 0.69 H new ATOM 0 HB3 SER A 54 5.413 6.771 10.728 1.00 0.69 H new ATOM 0 HG SER A 54 3.730 6.861 8.390 1.00 1.38 H new ATOM 805 N ARG A 55 7.528 4.612 8.796 1.00 0.53 N ATOM 806 CA ARG A 55 8.533 3.637 9.162 1.00 0.62 C ATOM 807 C ARG A 55 9.747 3.656 8.223 1.00 0.57 C ATOM 808 O ARG A 55 10.876 3.812 8.666 1.00 0.68 O ATOM 809 CB ARG A 55 7.891 2.255 9.221 1.00 0.78 C ATOM 810 CG ARG A 55 8.850 1.109 9.449 1.00 0.95 C ATOM 811 CD ARG A 55 8.085 -0.190 9.552 1.00 1.19 C ATOM 812 NE ARG A 55 8.952 -1.363 9.491 1.00 1.42 N ATOM 813 CZ ARG A 55 8.559 -2.528 8.964 1.00 1.79 C ATOM 814 NH1 ARG A 55 7.299 -2.694 8.617 1.00 1.97 N ATOM 815 NH2 ARG A 55 9.409 -3.540 8.808 1.00 2.41 N ATOM 0 H ARG A 55 6.808 4.253 8.170 1.00 0.53 H new ATOM 0 HA ARG A 55 8.920 3.899 10.147 1.00 0.62 H new ATOM 0 HB2 ARG A 55 7.149 2.251 10.019 1.00 0.78 H new ATOM 0 HB3 ARG A 55 7.356 2.080 8.287 1.00 0.78 H new ATOM 0 HG2 ARG A 55 9.567 1.055 8.630 1.00 0.95 H new ATOM 0 HG3 ARG A 55 9.421 1.278 10.362 1.00 0.95 H new ATOM 0 HD2 ARG A 55 7.527 -0.205 10.488 1.00 1.19 H new ATOM 0 HD3 ARG A 55 7.355 -0.241 8.745 1.00 1.19 H new ATOM 0 HE ARG A 55 9.898 -1.291 9.866 1.00 1.42 H new ATOM 0 HH11 ARG A 55 6.629 -1.936 8.751 1.00 1.97 H new ATOM 0 HH12 ARG A 55 6.993 -3.580 8.215 1.00 1.97 H new ATOM 0 HH21 ARG A 55 10.383 -3.436 9.093 1.00 2.41 H new ATOM 0 HH22 ARG A 55 9.087 -4.419 8.404 1.00 2.41 H new ATOM 829 N TYR A 56 9.502 3.524 6.937 1.00 0.49 N ATOM 830 CA TYR A 56 10.576 3.402 5.958 1.00 0.54 C ATOM 831 C TYR A 56 11.233 4.729 5.612 1.00 0.53 C ATOM 832 O TYR A 56 12.403 4.756 5.240 1.00 0.71 O ATOM 833 CB TYR A 56 10.091 2.663 4.700 1.00 0.57 C ATOM 834 CG TYR A 56 9.808 1.195 4.944 1.00 0.68 C ATOM 835 CD1 TYR A 56 8.595 0.791 5.475 1.00 0.66 C ATOM 836 CD2 TYR A 56 10.736 0.217 4.618 1.00 0.94 C ATOM 837 CE1 TYR A 56 8.314 -0.541 5.684 1.00 0.82 C ATOM 838 CE2 TYR A 56 10.460 -1.120 4.815 1.00 1.09 C ATOM 839 CZ TYR A 56 9.330 -1.493 5.440 1.00 1.02 C ATOM 840 OH TYR A 56 8.965 -2.821 5.532 1.00 1.20 O ATOM 0 H TYR A 56 8.564 3.498 6.537 1.00 0.49 H new ATOM 0 HA TYR A 56 11.356 2.804 6.429 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.186 3.144 4.330 1.00 0.57 H new ATOM 0 HB3 TYR A 56 10.845 2.756 3.918 1.00 0.57 H new ATOM 0 HD1 TYR A 56 7.855 1.535 5.730 1.00 0.66 H new ATOM 0 HD2 TYR A 56 11.690 0.507 4.203 1.00 0.94 H new ATOM 0 HE1 TYR A 56 7.338 -0.852 6.027 1.00 0.82 H new ATOM 0 HE2 TYR A 56 11.154 -1.870 4.466 1.00 1.09 H new ATOM 0 HH TYR A 56 8.041 -2.885 5.852 1.00 1.20 H new ATOM 850 N GLY A 57 10.504 5.819 5.767 1.00 0.44 N ATOM 851 CA GLY A 57 11.059 7.124 5.457 1.00 0.45 C ATOM 852 C GLY A 57 10.900 7.481 3.996 1.00 0.45 C ATOM 853 O GLY A 57 11.721 8.195 3.430 1.00 0.60 O ATOM 0 H GLY A 57 9.540 5.829 6.101 1.00 0.44 H new ATOM 0 HA2 GLY A 57 10.568 7.880 6.069 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.117 7.139 5.720 1.00 0.45 H new ATOM 857 N VAL A 58 9.846 6.994 3.381 1.00 0.37 N ATOM 858 CA VAL A 58 9.611 7.263 1.966 1.00 0.39 C ATOM 859 C VAL A 58 8.498 8.295 1.795 1.00 0.40 C ATOM 860 O VAL A 58 8.041 8.876 2.777 1.00 0.42 O ATOM 861 CB VAL A 58 9.301 5.969 1.147 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.414 4.960 1.318 1.00 0.49 C ATOM 863 CG2 VAL A 58 7.970 5.344 1.543 1.00 0.38 C ATOM 0 H VAL A 58 9.137 6.412 3.828 1.00 0.37 H new ATOM 0 HA VAL A 58 10.538 7.671 1.563 1.00 0.39 H new ATOM 0 HB VAL A 58 9.230 6.260 0.099 1.00 0.41 H new ATOM 0 HG11 VAL A 58 10.184 4.064 0.742 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.351 5.389 0.964 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.510 4.699 2.372 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.797 4.448 0.947 1.00 0.38 H new ATOM 0 HG22 VAL A 58 7.993 5.079 2.600 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.166 6.058 1.366 1.00 0.38 H new ATOM 873 N SER A 59 8.077 8.544 0.573 1.00 0.46 N ATOM 874 CA SER A 59 6.985 9.461 0.302 1.00 0.56 C ATOM 875 C SER A 59 6.304 9.091 -1.022 1.00 0.54 C ATOM 876 O SER A 59 6.969 8.946 -2.047 1.00 0.61 O ATOM 877 CB SER A 59 7.496 10.913 0.239 1.00 0.79 C ATOM 878 OG SER A 59 8.158 11.283 1.446 1.00 1.33 O ATOM 0 H SER A 59 8.480 8.118 -0.261 1.00 0.46 H new ATOM 0 HA SER A 59 6.261 9.382 1.113 1.00 0.56 H new ATOM 0 HB2 SER A 59 8.181 11.023 -0.602 1.00 0.79 H new ATOM 0 HB3 SER A 59 6.659 11.588 0.059 1.00 0.79 H new ATOM 0 HG SER A 59 8.073 10.559 2.101 1.00 1.33 H new ATOM 884 N ILE A 60 5.021 8.873 -0.972 1.00 0.48 N ATOM 885 CA ILE A 60 4.224 8.622 -2.148 1.00 0.46 C ATOM 886 C ILE A 60 3.204 9.733 -2.279 1.00 0.50 C ATOM 887 O ILE A 60 2.359 9.916 -1.394 1.00 0.58 O ATOM 888 CB ILE A 60 3.468 7.255 -2.108 1.00 0.44 C ATOM 889 CG1 ILE A 60 4.451 6.084 -2.067 1.00 0.47 C ATOM 890 CG2 ILE A 60 2.516 7.116 -3.315 1.00 0.43 C ATOM 891 CD1 ILE A 60 3.777 4.728 -2.043 1.00 1.13 C ATOM 0 H ILE A 60 4.488 8.864 -0.103 1.00 0.48 H new ATOM 0 HA ILE A 60 4.906 8.585 -2.998 1.00 0.46 H new ATOM 0 HB ILE A 60 2.872 7.233 -1.195 1.00 0.44 H new ATOM 0 HG12 ILE A 60 5.106 6.140 -2.936 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.083 6.182 -1.185 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.002 6.156 -3.264 1.00 0.43 H new ATOM 0 HG22 ILE A 60 1.783 7.922 -3.295 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.090 7.171 -4.240 1.00 0.43 H new ATOM 0 HD11 ILE A 60 4.535 3.945 -2.014 1.00 1.13 H new ATOM 0 HD12 ILE A 60 3.144 4.652 -1.159 1.00 1.13 H new ATOM 0 HD13 ILE A 60 3.167 4.609 -2.938 1.00 1.13 H new ATOM 903 N PRO A 61 3.291 10.530 -3.339 1.00 0.52 N ATOM 904 CA PRO A 61 2.308 11.571 -3.605 1.00 0.58 C ATOM 905 C PRO A 61 0.923 10.954 -3.805 1.00 0.52 C ATOM 906 O PRO A 61 0.798 9.879 -4.423 1.00 0.45 O ATOM 907 CB PRO A 61 2.803 12.210 -4.911 1.00 0.63 C ATOM 908 CG PRO A 61 4.248 11.859 -4.976 1.00 0.65 C ATOM 909 CD PRO A 61 4.358 10.502 -4.354 1.00 0.56 C ATOM 0 HA PRO A 61 2.214 12.288 -2.790 1.00 0.58 H new ATOM 0 HB2 PRO A 61 2.261 11.821 -5.773 1.00 0.63 H new ATOM 0 HB3 PRO A 61 2.657 13.290 -4.904 1.00 0.63 H new ATOM 0 HG2 PRO A 61 4.603 11.848 -6.006 1.00 0.65 H new ATOM 0 HG3 PRO A 61 4.854 12.588 -4.437 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.203 9.707 -5.084 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.339 10.338 -3.908 1.00 0.56 H new ATOM 917 N ASP A 62 -0.108 11.623 -3.297 1.00 0.64 N ATOM 918 CA ASP A 62 -1.504 11.138 -3.388 1.00 0.72 C ATOM 919 C ASP A 62 -1.896 10.916 -4.846 1.00 0.61 C ATOM 920 O ASP A 62 -2.656 10.017 -5.166 1.00 0.65 O ATOM 921 CB ASP A 62 -2.500 12.111 -2.701 1.00 1.00 C ATOM 922 CG ASP A 62 -2.680 13.437 -3.425 1.00 1.28 C ATOM 923 OD1 ASP A 62 -1.794 14.312 -3.330 1.00 1.40 O ATOM 924 OD2 ASP A 62 -3.729 13.630 -4.087 1.00 1.97 O ATOM 0 H ASP A 62 -0.012 12.514 -2.810 1.00 0.64 H new ATOM 0 HA ASP A 62 -1.556 10.187 -2.857 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -3.470 11.621 -2.618 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -2.155 12.308 -1.686 1.00 1.00 H new ATOM 929 N ASP A 63 -1.294 11.710 -5.714 1.00 0.57 N ATOM 930 CA ASP A 63 -1.484 11.616 -7.158 1.00 0.62 C ATOM 931 C ASP A 63 -1.081 10.230 -7.687 1.00 0.52 C ATOM 932 O ASP A 63 -1.760 9.652 -8.535 1.00 0.65 O ATOM 933 CB ASP A 63 -0.652 12.699 -7.848 1.00 0.78 C ATOM 934 CG ASP A 63 -0.682 12.610 -9.360 1.00 1.29 C ATOM 935 OD1 ASP A 63 -1.570 13.193 -9.987 1.00 1.94 O ATOM 936 OD2 ASP A 63 0.214 11.983 -9.948 1.00 1.87 O ATOM 0 H ASP A 63 -0.650 12.450 -5.436 1.00 0.57 H new ATOM 0 HA ASP A 63 -2.542 11.762 -7.378 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -1.019 13.679 -7.542 1.00 0.78 H new ATOM 0 HB3 ASP A 63 0.381 12.625 -7.508 1.00 0.78 H new ATOM 941 N VAL A 64 -0.011 9.683 -7.126 1.00 0.42 N ATOM 942 CA VAL A 64 0.532 8.406 -7.567 1.00 0.39 C ATOM 943 C VAL A 64 -0.233 7.240 -6.910 1.00 0.33 C ATOM 944 O VAL A 64 -0.346 6.157 -7.475 1.00 0.37 O ATOM 945 CB VAL A 64 2.058 8.294 -7.259 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.677 7.056 -7.887 1.00 0.55 C ATOM 947 CG2 VAL A 64 2.801 9.541 -7.712 1.00 0.56 C ATOM 0 H VAL A 64 0.503 10.110 -6.355 1.00 0.42 H new ATOM 0 HA VAL A 64 0.405 8.349 -8.648 1.00 0.39 H new ATOM 0 HB VAL A 64 2.155 8.202 -6.177 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.740 7.019 -7.647 1.00 0.55 H new ATOM 0 HG12 VAL A 64 2.185 6.165 -7.496 1.00 0.55 H new ATOM 0 HG13 VAL A 64 2.551 7.095 -8.969 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.862 9.435 -7.485 1.00 0.56 H new ATOM 0 HG22 VAL A 64 2.671 9.672 -8.786 1.00 0.56 H new ATOM 0 HG23 VAL A 64 2.403 10.411 -7.190 1.00 0.56 H new ATOM 957 N ALA A 65 -0.798 7.503 -5.740 1.00 0.35 N ATOM 958 CA ALA A 65 -1.572 6.544 -5.001 1.00 0.38 C ATOM 959 C ALA A 65 -2.825 6.182 -5.778 1.00 0.43 C ATOM 960 O ALA A 65 -3.249 5.036 -5.801 1.00 0.47 O ATOM 961 CB ALA A 65 -1.930 7.129 -3.650 1.00 0.44 C ATOM 0 H ALA A 65 -0.724 8.409 -5.278 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.989 5.635 -4.851 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -2.518 6.406 -3.084 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -1.018 7.363 -3.102 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -2.513 8.039 -3.791 1.00 0.44 H new ATOM 967 N GLY A 66 -3.373 7.164 -6.470 1.00 0.49 N ATOM 968 CA GLY A 66 -4.544 6.940 -7.284 1.00 0.59 C ATOM 969 C GLY A 66 -4.202 6.350 -8.649 1.00 0.53 C ATOM 970 O GLY A 66 -5.050 6.296 -9.538 1.00 0.69 O ATOM 0 H GLY A 66 -3.023 8.122 -6.482 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -5.223 6.267 -6.761 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.073 7.883 -7.421 1.00 0.59 H new ATOM 974 N ARG A 67 -2.960 5.916 -8.826 1.00 0.45 N ATOM 975 CA ARG A 67 -2.521 5.335 -10.079 1.00 0.45 C ATOM 976 C ARG A 67 -2.282 3.843 -9.945 1.00 0.39 C ATOM 977 O ARG A 67 -1.909 3.181 -10.919 1.00 0.51 O ATOM 978 CB ARG A 67 -1.240 5.995 -10.556 1.00 0.56 C ATOM 979 CG ARG A 67 -1.367 7.465 -10.856 1.00 1.08 C ATOM 980 CD ARG A 67 -0.051 8.051 -11.323 1.00 1.48 C ATOM 981 NE ARG A 67 0.442 7.411 -12.545 1.00 2.15 N ATOM 982 CZ ARG A 67 0.613 8.049 -13.708 1.00 2.93 C ATOM 983 NH1 ARG A 67 0.265 9.335 -13.827 1.00 3.24 N ATOM 984 NH2 ARG A 67 1.101 7.400 -14.754 1.00 3.83 N ATOM 0 H ARG A 67 -2.237 5.958 -8.108 1.00 0.45 H new ATOM 0 HA ARG A 67 -3.316 5.503 -10.806 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -0.471 5.858 -9.796 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -0.895 5.483 -11.454 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -2.127 7.617 -11.623 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -1.705 7.992 -9.964 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -0.174 9.119 -11.500 1.00 1.48 H new ATOM 0 HD3 ARG A 67 0.693 7.942 -10.534 1.00 1.48 H new ATOM 0 HE ARG A 67 0.669 6.417 -12.507 1.00 2.15 H new ATOM 0 HH11 ARG A 67 -0.132 9.832 -13.030 1.00 3.24 H new ATOM 0 HH12 ARG A 67 0.397 9.819 -14.715 1.00 3.24 H new ATOM 0 HH21 ARG A 67 1.347 6.413 -14.673 1.00 3.83 H new ATOM 0 HH22 ARG A 67 1.231 7.887 -15.641 1.00 3.83 H new ATOM 998 N VAL A 68 -2.483 3.309 -8.763 1.00 0.35 N ATOM 999 CA VAL A 68 -2.267 1.895 -8.561 1.00 0.34 C ATOM 1000 C VAL A 68 -3.588 1.157 -8.479 1.00 0.39 C ATOM 1001 O VAL A 68 -4.623 1.758 -8.175 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.360 1.574 -7.333 1.00 0.32 C ATOM 1003 CG1 VAL A 68 0.022 2.145 -7.557 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -1.945 2.119 -6.040 1.00 0.36 C ATOM 0 H VAL A 68 -2.791 3.823 -7.938 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.720 1.539 -9.434 1.00 0.34 H new ATOM 0 HB VAL A 68 -1.300 0.490 -7.235 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.653 1.919 -6.697 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.458 1.703 -8.453 1.00 0.33 H new ATOM 0 HG13 VAL A 68 -0.047 3.226 -7.682 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.283 1.874 -5.209 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -2.048 3.202 -6.115 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.924 1.673 -5.867 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.565 -0.126 -8.761 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.786 -0.928 -8.757 1.00 0.49 C ATOM 1016 C ASP A 69 -4.623 -2.110 -7.829 1.00 0.40 C ATOM 1017 O ASP A 69 -5.554 -2.505 -7.110 1.00 0.39 O ATOM 1018 CB ASP A 69 -5.060 -1.453 -10.161 1.00 0.68 C ATOM 1019 CG ASP A 69 -6.418 -2.094 -10.307 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -7.401 -1.381 -10.526 1.00 1.17 O ATOM 1021 OD2 ASP A 69 -6.532 -3.333 -10.128 1.00 0.86 O ATOM 0 H ASP A 69 -2.719 -0.644 -8.997 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.613 -0.303 -8.421 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -4.977 -0.630 -10.871 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -4.293 -2.181 -10.425 1.00 0.68 H new ATOM 1026 N THR A 70 -3.443 -2.666 -7.853 1.00 0.38 N ATOM 1027 CA THR A 70 -3.112 -3.821 -7.092 1.00 0.35 C ATOM 1028 C THR A 70 -1.969 -3.502 -6.106 1.00 0.33 C ATOM 1029 O THR A 70 -1.126 -2.618 -6.378 1.00 0.33 O ATOM 1030 CB THR A 70 -2.721 -4.984 -8.052 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.597 -4.598 -8.882 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.894 -5.323 -8.959 1.00 0.47 C ATOM 0 H THR A 70 -2.671 -2.313 -8.419 1.00 0.38 H new ATOM 0 HA THR A 70 -3.978 -4.132 -6.508 1.00 0.35 H new ATOM 0 HB THR A 70 -2.451 -5.849 -7.447 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.750 -3.700 -9.243 1.00 0.48 H new ATOM 0 HG21 THR A 70 -3.614 -6.137 -9.628 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.746 -5.629 -8.352 1.00 0.47 H new ATOM 0 HG23 THR A 70 -4.164 -4.446 -9.548 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.929 -4.198 -4.947 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.935 -3.973 -3.883 1.00 0.33 C ATOM 1042 C PRO A 71 0.521 -4.027 -4.355 1.00 0.29 C ATOM 1043 O PRO A 71 1.368 -3.299 -3.822 1.00 0.28 O ATOM 1044 CB PRO A 71 -1.213 -5.102 -2.893 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.647 -5.400 -3.091 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.884 -5.249 -4.558 1.00 0.39 C ATOM 0 HA PRO A 71 -1.037 -2.970 -3.470 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.592 -5.974 -3.096 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -1.006 -4.795 -1.868 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.889 -6.409 -2.756 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -3.273 -4.715 -2.519 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.698 -6.180 -5.094 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.912 -4.958 -4.772 1.00 0.39 H new ATOM 1054 N ARG A 72 0.813 -4.851 -5.372 1.00 0.31 N ATOM 1055 CA ARG A 72 2.189 -4.986 -5.857 1.00 0.31 C ATOM 1056 C ARG A 72 2.731 -3.656 -6.388 1.00 0.29 C ATOM 1057 O ARG A 72 3.900 -3.348 -6.214 1.00 0.31 O ATOM 1058 CB ARG A 72 2.346 -6.087 -6.928 1.00 0.36 C ATOM 1059 CG ARG A 72 1.617 -5.835 -8.244 1.00 0.48 C ATOM 1060 CD ARG A 72 2.094 -6.781 -9.331 1.00 0.58 C ATOM 1061 NE ARG A 72 1.750 -8.183 -9.075 1.00 1.01 N ATOM 1062 CZ ARG A 72 2.632 -9.185 -8.947 1.00 1.40 C ATOM 1063 NH1 ARG A 72 3.934 -8.930 -8.859 1.00 1.35 N ATOM 1064 NH2 ARG A 72 2.201 -10.439 -8.866 1.00 2.47 N ATOM 0 H ARG A 72 0.127 -5.423 -5.865 1.00 0.31 H new ATOM 0 HA ARG A 72 2.779 -5.288 -4.992 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.408 -6.214 -7.140 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.990 -7.029 -6.510 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.544 -5.959 -8.097 1.00 0.48 H new ATOM 0 HG3 ARG A 72 1.779 -4.804 -8.560 1.00 0.48 H new ATOM 0 HD2 ARG A 72 1.660 -6.476 -10.283 1.00 0.58 H new ATOM 0 HD3 ARG A 72 3.176 -6.692 -9.430 1.00 0.58 H new ATOM 0 HE ARG A 72 0.761 -8.415 -8.987 1.00 1.01 H new ATOM 0 HH11 ARG A 72 4.268 -7.967 -8.889 1.00 1.35 H new ATOM 0 HH12 ARG A 72 4.599 -9.698 -8.762 1.00 1.35 H new ATOM 0 HH21 ARG A 72 1.201 -10.638 -8.901 1.00 2.47 H new ATOM 0 HH22 ARG A 72 2.870 -11.203 -8.769 1.00 2.47 H new ATOM 1078 N GLU A 73 1.849 -2.856 -6.969 1.00 0.28 N ATOM 1079 CA GLU A 73 2.220 -1.583 -7.560 1.00 0.28 C ATOM 1080 C GLU A 73 2.519 -0.566 -6.468 1.00 0.25 C ATOM 1081 O GLU A 73 3.453 0.221 -6.579 1.00 0.25 O ATOM 1082 CB GLU A 73 1.090 -1.101 -8.441 1.00 0.33 C ATOM 1083 CG GLU A 73 0.718 -2.082 -9.529 1.00 0.45 C ATOM 1084 CD GLU A 73 -0.560 -1.705 -10.206 1.00 1.15 C ATOM 1085 OE1 GLU A 73 -1.647 -1.971 -9.667 1.00 2.06 O ATOM 1086 OE2 GLU A 73 -0.496 -1.127 -11.296 1.00 1.24 O ATOM 0 H GLU A 73 0.855 -3.073 -7.043 1.00 0.28 H new ATOM 0 HA GLU A 73 3.119 -1.706 -8.164 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.214 -0.907 -7.822 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.374 -0.153 -8.898 1.00 0.33 H new ATOM 0 HG2 GLU A 73 1.520 -2.128 -10.266 1.00 0.45 H new ATOM 0 HG3 GLU A 73 0.621 -3.080 -9.101 1.00 0.45 H new ATOM 1093 N LEU A 74 1.738 -0.629 -5.395 1.00 0.27 N ATOM 1094 CA LEU A 74 1.895 0.255 -4.238 1.00 0.27 C ATOM 1095 C LEU A 74 3.247 -0.035 -3.599 1.00 0.25 C ATOM 1096 O LEU A 74 4.038 0.866 -3.314 1.00 0.25 O ATOM 1097 CB LEU A 74 0.775 -0.058 -3.226 1.00 0.30 C ATOM 1098 CG LEU A 74 0.513 0.960 -2.074 1.00 0.34 C ATOM 1099 CD1 LEU A 74 1.600 0.936 -1.013 1.00 0.98 C ATOM 1100 CD2 LEU A 74 0.369 2.366 -2.636 1.00 1.00 C ATOM 0 H LEU A 74 0.973 -1.297 -5.300 1.00 0.27 H new ATOM 0 HA LEU A 74 1.838 1.301 -4.538 1.00 0.27 H new ATOM 0 HB2 LEU A 74 -0.154 -0.175 -3.784 1.00 0.30 H new ATOM 0 HB3 LEU A 74 0.998 -1.024 -2.772 1.00 0.30 H new ATOM 0 HG LEU A 74 -0.417 0.659 -1.591 1.00 0.34 H new ATOM 0 HD11 LEU A 74 1.366 1.664 -0.236 1.00 0.98 H new ATOM 0 HD12 LEU A 74 1.657 -0.059 -0.572 1.00 0.98 H new ATOM 0 HD13 LEU A 74 2.558 1.186 -1.468 1.00 0.98 H new ATOM 0 HD21 LEU A 74 0.186 3.067 -1.821 1.00 1.00 H new ATOM 0 HD22 LEU A 74 1.285 2.645 -3.156 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -0.468 2.395 -3.334 1.00 1.00 H new ATOM 1112 N LEU A 75 3.485 -1.315 -3.397 1.00 0.29 N ATOM 1113 CA LEU A 75 4.695 -1.837 -2.821 1.00 0.34 C ATOM 1114 C LEU A 75 5.911 -1.405 -3.647 1.00 0.29 C ATOM 1115 O LEU A 75 6.968 -1.036 -3.112 1.00 0.30 O ATOM 1116 CB LEU A 75 4.573 -3.346 -2.845 1.00 0.49 C ATOM 1117 CG LEU A 75 5.764 -4.115 -2.377 1.00 0.42 C ATOM 1118 CD1 LEU A 75 5.995 -3.905 -0.897 1.00 0.43 C ATOM 1119 CD2 LEU A 75 5.615 -5.576 -2.727 1.00 0.90 C ATOM 0 H LEU A 75 2.812 -2.042 -3.640 1.00 0.29 H new ATOM 0 HA LEU A 75 4.831 -1.463 -1.806 1.00 0.34 H new ATOM 0 HB2 LEU A 75 3.719 -3.630 -2.229 1.00 0.49 H new ATOM 0 HB3 LEU A 75 4.346 -3.654 -3.866 1.00 0.49 H new ATOM 0 HG LEU A 75 6.649 -3.742 -2.892 1.00 0.42 H new ATOM 0 HD11 LEU A 75 6.868 -4.476 -0.580 1.00 0.43 H new ATOM 0 HD12 LEU A 75 6.163 -2.846 -0.702 1.00 0.43 H new ATOM 0 HD13 LEU A 75 5.120 -4.242 -0.341 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.491 -6.124 -2.380 1.00 0.90 H new ATOM 0 HD22 LEU A 75 4.722 -5.976 -2.246 1.00 0.90 H new ATOM 0 HD23 LEU A 75 5.524 -5.684 -3.808 1.00 0.90 H new ATOM 1131 N ASP A 76 5.719 -1.424 -4.944 1.00 0.29 N ATOM 1132 CA ASP A 76 6.729 -1.078 -5.919 1.00 0.33 C ATOM 1133 C ASP A 76 7.092 0.394 -5.808 1.00 0.29 C ATOM 1134 O ASP A 76 8.264 0.766 -5.915 1.00 0.33 O ATOM 1135 CB ASP A 76 6.203 -1.396 -7.316 1.00 0.40 C ATOM 1136 CG ASP A 76 7.171 -1.071 -8.403 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.097 -1.857 -8.633 1.00 0.70 O ATOM 1138 OD2 ASP A 76 7.013 -0.020 -9.050 1.00 0.63 O ATOM 0 H ASP A 76 4.828 -1.689 -5.365 1.00 0.29 H new ATOM 0 HA ASP A 76 7.630 -1.661 -5.731 1.00 0.33 H new ATOM 0 HB2 ASP A 76 5.951 -2.455 -7.369 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.280 -0.841 -7.484 1.00 0.40 H new ATOM 1143 N LEU A 77 6.084 1.216 -5.558 1.00 0.25 N ATOM 1144 CA LEU A 77 6.264 2.653 -5.380 1.00 0.25 C ATOM 1145 C LEU A 77 7.141 2.932 -4.166 1.00 0.26 C ATOM 1146 O LEU A 77 8.063 3.758 -4.232 1.00 0.32 O ATOM 1147 CB LEU A 77 4.917 3.338 -5.188 1.00 0.26 C ATOM 1148 CG LEU A 77 3.929 3.239 -6.338 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.623 3.917 -5.965 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.510 3.845 -7.603 1.00 0.38 C ATOM 0 H LEU A 77 5.116 0.907 -5.472 1.00 0.25 H new ATOM 0 HA LEU A 77 6.747 3.046 -6.275 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.446 2.919 -4.299 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.098 4.394 -4.986 1.00 0.26 H new ATOM 0 HG LEU A 77 3.729 2.186 -6.534 1.00 0.31 H new ATOM 0 HD11 LEU A 77 1.923 3.840 -6.797 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.198 3.431 -5.087 1.00 0.35 H new ATOM 0 HD13 LEU A 77 2.809 4.968 -5.744 1.00 0.35 H new ATOM 0 HD21 LEU A 77 3.785 3.762 -8.412 1.00 0.38 H new ATOM 0 HD22 LEU A 77 4.742 4.896 -7.430 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.421 3.312 -7.876 1.00 0.38 H new ATOM 1162 N ILE A 78 6.842 2.231 -3.066 1.00 0.25 N ATOM 1163 CA ILE A 78 7.603 2.333 -1.829 1.00 0.29 C ATOM 1164 C ILE A 78 9.062 2.022 -2.112 1.00 0.34 C ATOM 1165 O ILE A 78 9.930 2.873 -1.943 1.00 0.40 O ATOM 1166 CB ILE A 78 7.096 1.327 -0.753 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.636 1.603 -0.362 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.004 1.369 0.486 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.416 2.923 0.352 1.00 0.46 C ATOM 0 H ILE A 78 6.061 1.576 -3.015 1.00 0.25 H new ATOM 0 HA ILE A 78 7.479 3.347 -1.449 1.00 0.29 H new ATOM 0 HB ILE A 78 7.136 0.328 -1.187 1.00 0.33 H new ATOM 0 HG12 ILE A 78 5.022 1.584 -1.262 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.286 0.794 0.279 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.638 0.661 1.230 1.00 0.43 H new ATOM 0 HG22 ILE A 78 9.021 1.102 0.201 1.00 0.43 H new ATOM 0 HG23 ILE A 78 7.998 2.374 0.908 1.00 0.43 H new ATOM 0 HD11 ILE A 78 4.358 3.036 0.591 1.00 0.46 H new ATOM 0 HD12 ILE A 78 5.999 2.940 1.273 1.00 0.46 H new ATOM 0 HD13 ILE A 78 5.732 3.743 -0.293 1.00 0.46 H new ATOM 1181 N ASN A 79 9.310 0.805 -2.571 1.00 0.37 N ATOM 1182 CA ASN A 79 10.670 0.322 -2.819 1.00 0.46 C ATOM 1183 C ASN A 79 11.399 1.134 -3.890 1.00 0.40 C ATOM 1184 O ASN A 79 12.629 1.161 -3.919 1.00 0.45 O ATOM 1185 CB ASN A 79 10.690 -1.180 -3.144 1.00 0.62 C ATOM 1186 CG ASN A 79 10.273 -2.047 -1.958 1.00 0.84 C ATOM 1187 OD1 ASN A 79 10.448 -1.669 -0.802 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.773 -3.226 -2.228 1.00 0.56 N ATOM 0 H ASN A 79 8.582 0.123 -2.783 1.00 0.37 H new ATOM 0 HA ASN A 79 11.220 0.468 -1.889 1.00 0.46 H new ATOM 0 HB2 ASN A 79 10.022 -1.375 -3.983 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.693 -1.465 -3.462 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.518 -3.858 -1.469 1.00 0.56 H new ATOM 0 HD22 ASN A 79 9.639 -3.513 -3.197 1.00 0.56 H new ATOM 1195 N GLY A 80 10.646 1.799 -4.755 1.00 0.38 N ATOM 1196 CA GLY A 80 11.243 2.671 -5.746 1.00 0.41 C ATOM 1197 C GLY A 80 11.844 3.902 -5.089 1.00 0.45 C ATOM 1198 O GLY A 80 12.972 4.289 -5.388 1.00 0.55 O ATOM 0 H GLY A 80 9.628 1.750 -4.788 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.016 2.131 -6.293 1.00 0.41 H new ATOM 0 HA3 GLY A 80 10.489 2.973 -6.473 1.00 0.41 H new ATOM 1202 N ALA A 81 11.103 4.482 -4.153 1.00 0.44 N ATOM 1203 CA ALA A 81 11.560 5.659 -3.417 1.00 0.51 C ATOM 1204 C ALA A 81 12.620 5.258 -2.394 1.00 0.54 C ATOM 1205 O ALA A 81 13.606 5.967 -2.175 1.00 0.69 O ATOM 1206 CB ALA A 81 10.381 6.333 -2.726 1.00 0.52 C ATOM 0 H ALA A 81 10.176 4.155 -3.883 1.00 0.44 H new ATOM 0 HA ALA A 81 12.003 6.366 -4.118 1.00 0.51 H new ATOM 0 HB1 ALA A 81 10.731 7.209 -2.180 1.00 0.52 H new ATOM 0 HB2 ALA A 81 9.649 6.640 -3.473 1.00 0.52 H new ATOM 0 HB3 ALA A 81 9.918 5.633 -2.030 1.00 0.52 H new ATOM 1212 N LEU A 82 12.426 4.084 -1.822 1.00 0.44 N ATOM 1213 CA LEU A 82 13.285 3.524 -0.818 1.00 0.50 C ATOM 1214 C LEU A 82 14.687 3.251 -1.379 1.00 0.60 C ATOM 1215 O LEU A 82 15.667 3.321 -0.654 1.00 0.70 O ATOM 1216 CB LEU A 82 12.638 2.240 -0.293 1.00 0.48 C ATOM 1217 CG LEU A 82 13.395 1.468 0.764 1.00 0.58 C ATOM 1218 CD1 LEU A 82 13.546 2.281 2.047 1.00 0.60 C ATOM 1219 CD2 LEU A 82 12.721 0.139 1.030 1.00 0.66 C ATOM 0 H LEU A 82 11.638 3.481 -2.058 1.00 0.44 H new ATOM 0 HA LEU A 82 13.407 4.234 0.000 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.659 2.496 0.112 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.469 1.576 -1.141 1.00 0.48 H new ATOM 0 HG LEU A 82 14.399 1.272 0.388 1.00 0.58 H new ATOM 0 HD11 LEU A 82 14.095 1.697 2.786 1.00 0.60 H new ATOM 0 HD12 LEU A 82 14.092 3.200 1.833 1.00 0.60 H new ATOM 0 HD13 LEU A 82 12.560 2.528 2.440 1.00 0.60 H new ATOM 0 HD21 LEU A 82 13.278 -0.405 1.793 1.00 0.66 H new ATOM 0 HD22 LEU A 82 11.702 0.311 1.377 1.00 0.66 H new ATOM 0 HD23 LEU A 82 12.697 -0.447 0.111 1.00 0.66 H new ATOM 1231 N ALA A 83 14.770 2.979 -2.676 1.00 0.64 N ATOM 1232 CA ALA A 83 16.047 2.719 -3.326 1.00 0.79 C ATOM 1233 C ALA A 83 16.932 3.965 -3.323 1.00 0.95 C ATOM 1234 O ALA A 83 18.140 3.876 -3.095 1.00 1.13 O ATOM 1235 CB ALA A 83 15.840 2.208 -4.734 1.00 0.86 C ATOM 0 H ALA A 83 13.964 2.933 -3.300 1.00 0.64 H new ATOM 0 HA ALA A 83 16.560 1.945 -2.756 1.00 0.79 H new ATOM 0 HB1 ALA A 83 16.808 2.021 -5.199 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.267 1.281 -4.704 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.296 2.953 -5.315 1.00 0.86 H new ATOM 1241 N GLU A 84 16.335 5.127 -3.535 1.00 0.95 N ATOM 1242 CA GLU A 84 17.080 6.360 -3.503 1.00 1.17 C ATOM 1243 C GLU A 84 17.365 6.815 -2.075 1.00 1.25 C ATOM 1244 O GLU A 84 18.297 7.583 -1.834 1.00 1.52 O ATOM 1245 CB GLU A 84 16.384 7.466 -4.284 1.00 1.23 C ATOM 1246 CG GLU A 84 16.697 7.514 -5.779 1.00 1.40 C ATOM 1247 CD GLU A 84 16.152 6.363 -6.574 1.00 1.80 C ATOM 1248 OE1 GLU A 84 16.823 5.323 -6.686 1.00 2.47 O ATOM 1249 OE2 GLU A 84 15.064 6.508 -7.159 1.00 2.17 O ATOM 0 H GLU A 84 15.340 5.235 -3.730 1.00 0.95 H new ATOM 0 HA GLU A 84 18.034 6.155 -3.989 1.00 1.17 H new ATOM 0 HB2 GLU A 84 15.307 7.352 -4.160 1.00 1.23 H new ATOM 0 HB3 GLU A 84 16.656 8.425 -3.843 1.00 1.23 H new ATOM 0 HG2 GLU A 84 16.299 8.442 -6.190 1.00 1.40 H new ATOM 0 HG3 GLU A 84 17.779 7.547 -5.908 1.00 1.40 H new ATOM 1256 N ALA A 85 16.578 6.331 -1.139 1.00 1.13 N ATOM 1257 CA ALA A 85 16.733 6.687 0.265 1.00 1.31 C ATOM 1258 C ALA A 85 17.704 5.737 0.967 1.00 1.69 C ATOM 1259 O ALA A 85 18.082 5.956 2.125 1.00 2.07 O ATOM 1260 CB ALA A 85 15.376 6.678 0.963 1.00 1.28 C ATOM 0 H ALA A 85 15.813 5.681 -1.323 1.00 1.13 H new ATOM 0 HA ALA A 85 17.149 7.693 0.320 1.00 1.31 H new ATOM 0 HB1 ALA A 85 15.505 6.946 2.012 1.00 1.28 H new ATOM 0 HB2 ALA A 85 14.715 7.400 0.483 1.00 1.28 H new ATOM 0 HB3 ALA A 85 14.938 5.682 0.894 1.00 1.28 H new ATOM 1266 N ALA A 86 18.100 4.695 0.259 1.00 1.91 N ATOM 1267 CA ALA A 86 19.013 3.689 0.772 1.00 2.53 C ATOM 1268 C ALA A 86 20.417 4.247 0.863 1.00 2.95 C ATOM 1269 O ALA A 86 20.988 4.612 -0.187 1.00 3.39 O ATOM 1270 CB ALA A 86 18.985 2.441 -0.094 1.00 3.21 C ATOM 1271 OXT ALA A 86 20.969 4.330 1.989 1.00 3.44 O ATOM 0 H ALA A 86 17.794 4.521 -0.698 1.00 1.91 H new ATOM 0 HA ALA A 86 18.687 3.410 1.774 1.00 2.53 H new ATOM 0 HB1 ALA A 86 19.677 1.702 0.310 1.00 3.21 H new ATOM 0 HB2 ALA A 86 17.977 2.027 -0.103 1.00 3.21 H new ATOM 0 HB3 ALA A 86 19.281 2.697 -1.111 1.00 3.21 H new TER 1277 ALA A 86 HETATM 1278 P24 SDO A 101 -12.221 9.140 -1.942 1.00 1.71 P HETATM 1279 O26 SDO A 101 -13.530 9.167 -1.090 1.00 2.14 O HETATM 1280 O23 SDO A 101 -12.315 8.602 -3.387 1.00 2.28 O HETATM 1281 O27 SDO A 101 -11.640 10.567 -1.990 1.00 1.72 O HETATM 1282 C28 SDO A 101 -11.327 11.228 -0.704 1.00 1.71 C HETATM 1283 C29 SDO A 101 -10.633 12.569 -0.943 1.00 1.77 C HETATM 1284 C30 SDO A 101 -10.331 13.169 0.419 1.00 1.95 C HETATM 1285 C31 SDO A 101 -9.323 12.353 -1.695 1.00 1.99 C HETATM 1286 C32 SDO A 101 -11.558 13.536 -1.784 1.00 2.08 C HETATM 1287 O33 SDO A 101 -10.811 14.664 -2.292 1.00 2.35 O HETATM 1288 C34 SDO A 101 -12.734 14.060 -0.952 1.00 2.45 C HETATM 1289 O35 SDO A 101 -13.503 13.321 -0.312 1.00 3.01 O HETATM 1290 N36 SDO A 101 -12.849 15.354 -0.992 1.00 2.76 N HETATM 1291 C37 SDO A 101 -13.857 16.152 -0.292 1.00 3.46 C HETATM 1292 C38 SDO A 101 -13.217 17.320 0.451 1.00 3.69 C HETATM 1293 C39 SDO A 101 -12.388 16.858 1.640 1.00 3.12 C HETATM 1294 O40 SDO A 101 -12.915 16.425 2.675 1.00 3.47 O HETATM 1295 N41 SDO A 101 -11.080 16.973 1.490 1.00 2.75 N HETATM 1296 C42 SDO A 101 -10.105 16.583 2.506 1.00 2.56 C HETATM 1297 C43 SDO A 101 -8.684 16.704 2.007 1.00 3.16 C HETATM 1298 S1 SDO A 101 -7.338 15.863 2.893 1.00 3.65 S HETATM 1299 C1 SDO A 101 -7.809 14.907 4.369 1.00 3.41 C HETATM 1300 C2 SDO A 101 -9.271 14.859 4.778 1.00 3.06 C HETATM 1301 C3 SDO A 101 -9.705 14.029 6.060 1.00 3.84 C HETATM 1302 O3 SDO A 101 -10.914 14.025 6.327 1.00 4.23 O HETATM 1303 C4 SDO A 101 -8.763 13.190 7.030 1.00 4.62 C HETATM 1304 C5 SDO A 101 -7.255 13.123 6.773 1.00 4.78 C HETATM 1305 C6 SDO A 101 -6.569 12.212 7.800 1.00 5.75 C HETATM 1306 C7 SDO A 101 -5.057 12.031 7.598 1.00 6.28 C HETATM 1307 O7 SDO A 101 -4.402 11.302 8.363 1.00 7.10 O HETATM 1308 C8 SDO A 101 -4.378 12.746 6.436 1.00 6.09 C