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 Single : A 1 MET CE :methyl 166:sc= -0.0697 (180deg=-0.428) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.139 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 17 SER OG : rot 35:sc= 1.23 USER MOD Single : A 21 THR OG1 : rot 38:sc= -1.03! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -176:sc= -0.149 USER MOD Single : A 46 MET CE :methyl -133:sc= -3.53! (180deg=-6.05!) USER MOD Single : A 48 THR OG1 : rot 72:sc= 1.03 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -136:sc= 1.17 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00174 USER MOD Single : A 79 ASN : amide:sc= -0.848 K(o=-0.85,f=-0.054) USER MOD Single : A 87 SXV O33 : rot 35:sc= 0.363 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.259 -11.391 -5.852 1.00 2.87 N ATOM 2 CA MET A 1 16.974 -10.686 -5.935 1.00 2.67 C ATOM 3 C MET A 1 16.887 -9.668 -4.831 1.00 2.47 C ATOM 4 O MET A 1 17.697 -9.675 -3.909 1.00 2.83 O ATOM 5 CB MET A 1 15.775 -11.649 -5.789 1.00 3.14 C ATOM 6 CG MET A 1 15.661 -12.314 -4.413 1.00 3.63 C ATOM 7 SD MET A 1 14.137 -13.259 -4.200 1.00 4.48 S ATOM 8 CE MET A 1 14.275 -14.426 -5.546 1.00 5.01 C ATOM 0 H1 MET A 1 18.793 -11.245 -6.732 1.00 2.87 H new ATOM 0 H2 MET A 1 18.807 -11.021 -5.049 1.00 2.87 H new ATOM 0 H3 MET A 1 18.089 -12.408 -5.715 1.00 2.87 H new ATOM 0 HA MET A 1 16.928 -10.213 -6.916 1.00 2.67 H new ATOM 0 HB2 MET A 1 14.856 -11.099 -5.990 1.00 3.14 H new ATOM 0 HB3 MET A 1 15.854 -12.426 -6.549 1.00 3.14 H new ATOM 0 HG2 MET A 1 16.514 -12.976 -4.265 1.00 3.63 H new ATOM 0 HG3 MET A 1 15.715 -11.547 -3.641 1.00 3.63 H new ATOM 0 HE1 MET A 1 13.551 -15.229 -5.407 1.00 5.01 H new ATOM 0 HE2 MET A 1 14.077 -13.918 -6.490 1.00 5.01 H new ATOM 0 HE3 MET A 1 15.282 -14.844 -5.563 1.00 5.01 H new ATOM 20 N ALA A 2 15.920 -8.802 -4.933 1.00 2.15 N ATOM 21 CA ALA A 2 15.610 -7.858 -3.896 1.00 2.02 C ATOM 22 C ALA A 2 14.451 -8.427 -3.102 1.00 1.59 C ATOM 23 O ALA A 2 13.746 -9.315 -3.604 1.00 1.59 O ATOM 24 CB ALA A 2 15.213 -6.524 -4.516 1.00 2.33 C ATOM 0 H ALA A 2 15.315 -8.730 -5.751 1.00 2.15 H new ATOM 0 HA ALA A 2 16.473 -7.690 -3.251 1.00 2.02 H new ATOM 0 HB1 ALA A 2 14.979 -5.811 -3.726 1.00 2.33 H new ATOM 0 HB2 ALA A 2 16.038 -6.142 -5.117 1.00 2.33 H new ATOM 0 HB3 ALA A 2 14.337 -6.664 -5.150 1.00 2.33 H new ATOM 30 N THR A 3 14.255 -7.977 -1.892 1.00 1.52 N ATOM 31 CA THR A 3 13.123 -8.427 -1.126 1.00 1.28 C ATOM 32 C THR A 3 11.925 -7.570 -1.555 1.00 1.04 C ATOM 33 O THR A 3 11.852 -6.384 -1.276 1.00 1.23 O ATOM 34 CB THR A 3 13.408 -8.349 0.437 1.00 1.66 C ATOM 35 OG1 THR A 3 12.272 -8.795 1.206 1.00 2.10 O ATOM 36 CG2 THR A 3 13.831 -6.958 0.906 1.00 2.36 C ATOM 0 H THR A 3 14.858 -7.305 -1.418 1.00 1.52 H new ATOM 0 HA THR A 3 12.912 -9.478 -1.321 1.00 1.28 H new ATOM 0 HB THR A 3 14.248 -9.022 0.611 1.00 1.66 H new ATOM 0 HG1 THR A 3 12.481 -8.736 2.162 1.00 2.10 H new ATOM 0 HG21 THR A 3 14.010 -6.975 1.981 1.00 2.36 H new ATOM 0 HG22 THR A 3 14.745 -6.663 0.391 1.00 2.36 H new ATOM 0 HG23 THR A 3 13.040 -6.242 0.681 1.00 2.36 H new ATOM 44 N LEU A 4 11.045 -8.156 -2.316 1.00 0.77 N ATOM 45 CA LEU A 4 9.920 -7.441 -2.847 1.00 0.59 C ATOM 46 C LEU A 4 8.658 -8.115 -2.409 1.00 0.58 C ATOM 47 O LEU A 4 8.492 -9.320 -2.614 1.00 0.79 O ATOM 48 CB LEU A 4 9.983 -7.404 -4.384 1.00 0.63 C ATOM 49 CG LEU A 4 11.243 -6.782 -5.006 1.00 0.70 C ATOM 50 CD1 LEU A 4 11.187 -6.870 -6.520 1.00 0.86 C ATOM 51 CD2 LEU A 4 11.409 -5.335 -4.568 1.00 0.64 C ATOM 0 H LEU A 4 11.087 -9.139 -2.585 1.00 0.77 H new ATOM 0 HA LEU A 4 9.940 -6.417 -2.475 1.00 0.59 H new ATOM 0 HB2 LEU A 4 9.889 -8.425 -4.754 1.00 0.63 H new ATOM 0 HB3 LEU A 4 9.116 -6.853 -4.747 1.00 0.63 H new ATOM 0 HG LEU A 4 12.107 -7.346 -4.654 1.00 0.70 H new ATOM 0 HD11 LEU A 4 12.087 -6.425 -6.944 1.00 0.86 H new ATOM 0 HD12 LEU A 4 11.123 -7.915 -6.822 1.00 0.86 H new ATOM 0 HD13 LEU A 4 10.311 -6.333 -6.884 1.00 0.86 H new ATOM 0 HD21 LEU A 4 12.308 -4.918 -5.022 1.00 0.64 H new ATOM 0 HD22 LEU A 4 10.541 -4.757 -4.885 1.00 0.64 H new ATOM 0 HD23 LEU A 4 11.497 -5.291 -3.482 1.00 0.64 H new ATOM 63 N LEU A 5 7.785 -7.377 -1.773 1.00 0.53 N ATOM 64 CA LEU A 5 6.526 -7.940 -1.370 1.00 0.58 C ATOM 65 C LEU A 5 5.647 -8.108 -2.592 1.00 0.47 C ATOM 66 O LEU A 5 5.610 -7.229 -3.479 1.00 0.54 O ATOM 67 CB LEU A 5 5.794 -7.110 -0.281 1.00 0.85 C ATOM 68 CG LEU A 5 5.121 -5.775 -0.673 1.00 0.59 C ATOM 69 CD1 LEU A 5 4.195 -5.334 0.434 1.00 0.85 C ATOM 70 CD2 LEU A 5 6.134 -4.678 -0.925 1.00 1.27 C ATOM 0 H LEU A 5 7.921 -6.397 -1.526 1.00 0.53 H new ATOM 0 HA LEU A 5 6.734 -8.907 -0.912 1.00 0.58 H new ATOM 0 HB2 LEU A 5 5.026 -7.748 0.156 1.00 0.85 H new ATOM 0 HB3 LEU A 5 6.516 -6.894 0.507 1.00 0.85 H new ATOM 0 HG LEU A 5 4.569 -5.947 -1.597 1.00 0.59 H new ATOM 0 HD11 LEU A 5 3.720 -4.392 0.158 1.00 0.85 H new ATOM 0 HD12 LEU A 5 3.430 -6.094 0.592 1.00 0.85 H new ATOM 0 HD13 LEU A 5 4.766 -5.197 1.353 1.00 0.85 H new ATOM 0 HD21 LEU A 5 5.615 -3.759 -1.197 1.00 1.27 H new ATOM 0 HD22 LEU A 5 6.720 -4.510 -0.022 1.00 1.27 H new ATOM 0 HD23 LEU A 5 6.797 -4.975 -1.738 1.00 1.27 H new ATOM 82 N THR A 6 5.000 -9.226 -2.680 1.00 0.43 N ATOM 83 CA THR A 6 4.140 -9.502 -3.781 1.00 0.48 C ATOM 84 C THR A 6 2.733 -8.955 -3.526 1.00 0.49 C ATOM 85 O THR A 6 2.503 -8.257 -2.524 1.00 0.52 O ATOM 86 CB THR A 6 4.116 -11.009 -4.075 1.00 0.58 C ATOM 87 OG1 THR A 6 3.847 -11.742 -2.852 1.00 0.64 O ATOM 88 CG2 THR A 6 5.447 -11.462 -4.660 1.00 0.76 C ATOM 0 H THR A 6 5.055 -9.973 -1.988 1.00 0.43 H new ATOM 0 HA THR A 6 4.530 -8.995 -4.663 1.00 0.48 H new ATOM 0 HB THR A 6 3.329 -11.209 -4.802 1.00 0.58 H new ATOM 0 HG1 THR A 6 3.831 -12.703 -3.043 1.00 0.64 H new ATOM 0 HG21 THR A 6 5.410 -12.533 -4.862 1.00 0.76 H new ATOM 0 HG22 THR A 6 5.638 -10.924 -5.589 1.00 0.76 H new ATOM 0 HG23 THR A 6 6.247 -11.254 -3.949 1.00 0.76 H new ATOM 96 N THR A 7 1.790 -9.291 -4.377 1.00 0.56 N ATOM 97 CA THR A 7 0.437 -8.827 -4.215 1.00 0.62 C ATOM 98 C THR A 7 -0.248 -9.502 -3.032 1.00 0.64 C ATOM 99 O THR A 7 -1.138 -8.932 -2.424 1.00 0.73 O ATOM 100 CB THR A 7 -0.376 -9.008 -5.500 1.00 0.74 C ATOM 101 OG1 THR A 7 -0.120 -10.313 -6.033 1.00 1.34 O ATOM 102 CG2 THR A 7 -0.009 -7.952 -6.531 1.00 1.19 C ATOM 0 H THR A 7 1.940 -9.887 -5.191 1.00 0.56 H new ATOM 0 HA THR A 7 0.486 -7.759 -4.003 1.00 0.62 H new ATOM 0 HB THR A 7 -1.435 -8.899 -5.265 1.00 0.74 H new ATOM 0 HG1 THR A 7 -0.638 -10.438 -6.855 1.00 1.34 H new ATOM 0 HG21 THR A 7 -0.601 -8.104 -7.434 1.00 1.19 H new ATOM 0 HG22 THR A 7 -0.213 -6.961 -6.125 1.00 1.19 H new ATOM 0 HG23 THR A 7 1.050 -8.033 -6.774 1.00 1.19 H new ATOM 110 N ASP A 8 0.236 -10.687 -2.661 1.00 0.65 N ATOM 111 CA ASP A 8 -0.304 -11.406 -1.502 1.00 0.71 C ATOM 112 C ASP A 8 0.059 -10.663 -0.250 1.00 0.65 C ATOM 113 O ASP A 8 -0.728 -10.560 0.678 1.00 0.69 O ATOM 114 CB ASP A 8 0.240 -12.841 -1.395 1.00 0.86 C ATOM 115 CG ASP A 8 -0.141 -13.723 -2.547 1.00 1.61 C ATOM 116 OD1 ASP A 8 -1.233 -14.327 -2.497 1.00 1.74 O ATOM 117 OD2 ASP A 8 0.636 -13.835 -3.523 1.00 2.44 O ATOM 0 H ASP A 8 0.996 -11.169 -3.141 1.00 0.65 H new ATOM 0 HA ASP A 8 -1.385 -11.465 -1.630 1.00 0.71 H new ATOM 0 HB2 ASP A 8 1.327 -12.803 -1.324 1.00 0.86 H new ATOM 0 HB3 ASP A 8 -0.125 -13.289 -0.471 1.00 0.86 H new ATOM 122 N ASP A 9 1.246 -10.099 -0.246 1.00 0.60 N ATOM 123 CA ASP A 9 1.723 -9.383 0.916 1.00 0.61 C ATOM 124 C ASP A 9 1.168 -7.964 0.921 1.00 0.56 C ATOM 125 O ASP A 9 0.905 -7.397 1.972 1.00 0.62 O ATOM 126 CB ASP A 9 3.240 -9.382 0.982 1.00 0.64 C ATOM 127 CG ASP A 9 3.733 -8.974 2.345 1.00 1.13 C ATOM 128 OD1 ASP A 9 3.698 -9.815 3.280 1.00 1.32 O ATOM 129 OD2 ASP A 9 4.153 -7.826 2.526 1.00 2.06 O ATOM 0 H ASP A 9 1.897 -10.122 -1.031 1.00 0.60 H new ATOM 0 HA ASP A 9 1.364 -9.897 1.807 1.00 0.61 H new ATOM 0 HB2 ASP A 9 3.616 -10.376 0.740 1.00 0.64 H new ATOM 0 HB3 ASP A 9 3.637 -8.699 0.231 1.00 0.64 H new ATOM 134 N LEU A 10 0.957 -7.408 -0.273 1.00 0.52 N ATOM 135 CA LEU A 10 0.306 -6.101 -0.412 1.00 0.51 C ATOM 136 C LEU A 10 -1.127 -6.206 0.114 1.00 0.52 C ATOM 137 O LEU A 10 -1.640 -5.295 0.759 1.00 0.58 O ATOM 138 CB LEU A 10 0.293 -5.651 -1.880 1.00 0.50 C ATOM 139 CG LEU A 10 -0.354 -4.287 -2.163 1.00 0.51 C ATOM 140 CD1 LEU A 10 0.415 -3.165 -1.480 1.00 0.60 C ATOM 141 CD2 LEU A 10 -0.455 -4.040 -3.659 1.00 0.56 C ATOM 0 H LEU A 10 1.226 -7.840 -1.157 1.00 0.52 H new ATOM 0 HA LEU A 10 0.863 -5.361 0.163 1.00 0.51 H new ATOM 0 HB2 LEU A 10 1.322 -5.624 -2.240 1.00 0.50 H new ATOM 0 HB3 LEU A 10 -0.230 -6.407 -2.466 1.00 0.50 H new ATOM 0 HG LEU A 10 -1.363 -4.301 -1.751 1.00 0.51 H new ATOM 0 HD11 LEU A 10 -0.065 -2.211 -1.697 1.00 0.60 H new ATOM 0 HD12 LEU A 10 0.421 -3.331 -0.403 1.00 0.60 H new ATOM 0 HD13 LEU A 10 1.440 -3.148 -1.850 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -0.916 -3.069 -3.837 1.00 0.56 H new ATOM 0 HD22 LEU A 10 0.542 -4.054 -4.098 1.00 0.56 H new ATOM 0 HD23 LEU A 10 -1.064 -4.820 -4.116 1.00 0.56 H new ATOM 153 N ARG A 11 -1.744 -7.344 -0.168 1.00 0.51 N ATOM 154 CA ARG A 11 -3.066 -7.680 0.325 1.00 0.54 C ATOM 155 C ARG A 11 -3.038 -7.659 1.859 1.00 0.53 C ATOM 156 O ARG A 11 -3.887 -7.037 2.492 1.00 0.57 O ATOM 157 CB ARG A 11 -3.445 -9.069 -0.204 1.00 0.60 C ATOM 158 CG ARG A 11 -4.823 -9.572 0.164 1.00 0.82 C ATOM 159 CD ARG A 11 -5.041 -10.964 -0.414 1.00 0.98 C ATOM 160 NE ARG A 11 -6.369 -11.507 -0.109 1.00 1.50 N ATOM 161 CZ ARG A 11 -6.886 -12.628 -0.644 1.00 2.13 C ATOM 162 NH1 ARG A 11 -6.190 -13.359 -1.513 1.00 2.32 N ATOM 163 NH2 ARG A 11 -8.102 -12.995 -0.325 1.00 3.08 N ATOM 0 H ARG A 11 -1.332 -8.069 -0.755 1.00 0.51 H new ATOM 0 HA ARG A 11 -3.810 -6.961 -0.018 1.00 0.54 H new ATOM 0 HB2 ARG A 11 -3.365 -9.055 -1.291 1.00 0.60 H new ATOM 0 HB3 ARG A 11 -2.710 -9.787 0.161 1.00 0.60 H new ATOM 0 HG2 ARG A 11 -4.932 -9.598 1.248 1.00 0.82 H new ATOM 0 HG3 ARG A 11 -5.582 -8.888 -0.216 1.00 0.82 H new ATOM 0 HD2 ARG A 11 -4.908 -10.928 -1.495 1.00 0.98 H new ATOM 0 HD3 ARG A 11 -4.280 -11.638 -0.022 1.00 0.98 H new ATOM 0 HE ARG A 11 -6.945 -10.996 0.560 1.00 1.50 H new ATOM 0 HH11 ARG A 11 -5.249 -13.072 -1.783 1.00 2.32 H new ATOM 0 HH12 ARG A 11 -6.598 -14.206 -1.909 1.00 2.32 H new ATOM 0 HH21 ARG A 11 -8.651 -12.432 0.325 1.00 3.08 H new ATOM 0 HH22 ARG A 11 -8.501 -13.844 -0.727 1.00 3.08 H new ATOM 177 N ARG A 12 -2.001 -8.289 2.427 1.00 0.54 N ATOM 178 CA ARG A 12 -1.783 -8.327 3.881 1.00 0.59 C ATOM 179 C ARG A 12 -1.679 -6.915 4.460 1.00 0.61 C ATOM 180 O ARG A 12 -2.236 -6.637 5.506 1.00 0.66 O ATOM 181 CB ARG A 12 -0.499 -9.091 4.234 1.00 0.72 C ATOM 182 CG ARG A 12 -0.470 -10.548 3.816 1.00 0.94 C ATOM 183 CD ARG A 12 0.886 -11.157 4.126 1.00 1.09 C ATOM 184 NE ARG A 12 0.996 -12.554 3.694 1.00 1.71 N ATOM 185 CZ ARG A 12 2.136 -13.148 3.297 1.00 2.06 C ATOM 186 NH1 ARG A 12 3.256 -12.433 3.160 1.00 1.90 N ATOM 187 NH2 ARG A 12 2.138 -14.443 2.980 1.00 3.10 N ATOM 0 H ARG A 12 -1.289 -8.787 1.892 1.00 0.54 H new ATOM 0 HA ARG A 12 -2.642 -8.840 4.313 1.00 0.59 H new ATOM 0 HB2 ARG A 12 0.345 -8.581 3.770 1.00 0.72 H new ATOM 0 HB3 ARG A 12 -0.350 -9.038 5.312 1.00 0.72 H new ATOM 0 HG2 ARG A 12 -1.252 -11.099 4.338 1.00 0.94 H new ATOM 0 HG3 ARG A 12 -0.679 -10.632 2.750 1.00 0.94 H new ATOM 0 HD2 ARG A 12 1.663 -10.569 3.638 1.00 1.09 H new ATOM 0 HD3 ARG A 12 1.068 -11.098 5.199 1.00 1.09 H new ATOM 0 HE ARG A 12 0.145 -13.117 3.695 1.00 1.71 H new ATOM 0 HH11 ARG A 12 3.249 -11.432 3.357 1.00 1.90 H new ATOM 0 HH12 ARG A 12 4.118 -12.888 2.859 1.00 1.90 H new ATOM 0 HH21 ARG A 12 1.275 -14.984 3.038 1.00 3.10 H new ATOM 0 HH22 ARG A 12 3.002 -14.893 2.679 1.00 3.10 H new ATOM 201 N ALA A 13 -0.972 -6.032 3.757 1.00 0.66 N ATOM 202 CA ALA A 13 -0.770 -4.647 4.197 1.00 0.77 C ATOM 203 C ALA A 13 -2.090 -3.902 4.354 1.00 0.66 C ATOM 204 O ALA A 13 -2.262 -3.114 5.290 1.00 0.70 O ATOM 205 CB ALA A 13 0.140 -3.913 3.242 1.00 0.95 C ATOM 0 H ALA A 13 -0.523 -6.253 2.868 1.00 0.66 H new ATOM 0 HA ALA A 13 -0.296 -4.684 5.178 1.00 0.77 H new ATOM 0 HB1 ALA A 13 0.277 -2.888 3.586 1.00 0.95 H new ATOM 0 HB2 ALA A 13 1.107 -4.415 3.202 1.00 0.95 H new ATOM 0 HB3 ALA A 13 -0.306 -3.906 2.247 1.00 0.95 H new ATOM 211 N LEU A 14 -3.017 -4.159 3.454 1.00 0.58 N ATOM 212 CA LEU A 14 -4.346 -3.584 3.556 1.00 0.57 C ATOM 213 C LEU A 14 -5.067 -4.140 4.785 1.00 0.56 C ATOM 214 O LEU A 14 -5.708 -3.395 5.538 1.00 0.77 O ATOM 215 CB LEU A 14 -5.164 -3.793 2.265 1.00 0.59 C ATOM 216 CG LEU A 14 -5.010 -2.721 1.156 1.00 0.69 C ATOM 217 CD1 LEU A 14 -3.576 -2.560 0.687 1.00 1.09 C ATOM 218 CD2 LEU A 14 -5.920 -3.036 -0.019 1.00 1.40 C ATOM 0 H LEU A 14 -2.876 -4.762 2.643 1.00 0.58 H new ATOM 0 HA LEU A 14 -4.242 -2.506 3.681 1.00 0.57 H new ATOM 0 HB2 LEU A 14 -4.890 -4.760 1.843 1.00 0.59 H new ATOM 0 HB3 LEU A 14 -6.218 -3.851 2.537 1.00 0.59 H new ATOM 0 HG LEU A 14 -5.306 -1.769 1.597 1.00 0.69 H new ATOM 0 HD11 LEU A 14 -3.531 -1.796 -0.089 1.00 1.09 H new ATOM 0 HD12 LEU A 14 -2.950 -2.261 1.527 1.00 1.09 H new ATOM 0 HD13 LEU A 14 -3.216 -3.507 0.285 1.00 1.09 H new ATOM 0 HD21 LEU A 14 -5.799 -2.273 -0.788 1.00 1.40 H new ATOM 0 HD22 LEU A 14 -5.658 -4.011 -0.431 1.00 1.40 H new ATOM 0 HD23 LEU A 14 -6.957 -3.050 0.317 1.00 1.40 H new ATOM 230 N VAL A 15 -4.884 -5.432 5.029 1.00 0.46 N ATOM 231 CA VAL A 15 -5.463 -6.114 6.194 1.00 0.49 C ATOM 232 C VAL A 15 -4.902 -5.506 7.486 1.00 0.52 C ATOM 233 O VAL A 15 -5.600 -5.407 8.488 1.00 0.66 O ATOM 234 CB VAL A 15 -5.156 -7.638 6.181 1.00 0.55 C ATOM 235 CG1 VAL A 15 -5.862 -8.366 7.321 1.00 0.67 C ATOM 236 CG2 VAL A 15 -5.529 -8.247 4.852 1.00 0.59 C ATOM 0 H VAL A 15 -4.330 -6.042 4.428 1.00 0.46 H new ATOM 0 HA VAL A 15 -6.544 -5.979 6.148 1.00 0.49 H new ATOM 0 HB VAL A 15 -4.083 -7.756 6.329 1.00 0.55 H new ATOM 0 HG11 VAL A 15 -5.623 -9.428 7.278 1.00 0.67 H new ATOM 0 HG12 VAL A 15 -5.529 -7.958 8.275 1.00 0.67 H new ATOM 0 HG13 VAL A 15 -6.940 -8.233 7.226 1.00 0.67 H new ATOM 0 HG21 VAL A 15 -5.306 -9.314 4.865 1.00 0.59 H new ATOM 0 HG22 VAL A 15 -6.594 -8.101 4.671 1.00 0.59 H new ATOM 0 HG23 VAL A 15 -4.957 -7.766 4.058 1.00 0.59 H new ATOM 246 N GLU A 16 -3.646 -5.081 7.436 1.00 0.48 N ATOM 247 CA GLU A 16 -2.971 -4.446 8.569 1.00 0.54 C ATOM 248 C GLU A 16 -3.658 -3.145 8.970 1.00 0.51 C ATOM 249 O GLU A 16 -3.614 -2.737 10.126 1.00 0.63 O ATOM 250 CB GLU A 16 -1.524 -4.130 8.225 1.00 0.64 C ATOM 251 CG GLU A 16 -0.696 -5.328 7.854 1.00 0.83 C ATOM 252 CD GLU A 16 -0.669 -6.374 8.920 1.00 1.12 C ATOM 253 OE1 GLU A 16 0.109 -6.238 9.871 1.00 1.14 O ATOM 254 OE2 GLU A 16 -1.413 -7.359 8.830 1.00 1.94 O ATOM 0 H GLU A 16 -3.061 -5.166 6.605 1.00 0.48 H new ATOM 0 HA GLU A 16 -3.016 -5.152 9.399 1.00 0.54 H new ATOM 0 HB2 GLU A 16 -1.507 -3.422 7.397 1.00 0.64 H new ATOM 0 HB3 GLU A 16 -1.061 -3.634 9.078 1.00 0.64 H new ATOM 0 HG2 GLU A 16 -1.089 -5.764 6.936 1.00 0.83 H new ATOM 0 HG3 GLU A 16 0.324 -5.006 7.643 1.00 0.83 H new ATOM 261 N SER A 17 -4.267 -2.494 8.012 1.00 0.49 N ATOM 262 CA SER A 17 -4.911 -1.244 8.267 1.00 0.58 C ATOM 263 C SER A 17 -6.427 -1.437 8.486 1.00 0.66 C ATOM 264 O SER A 17 -7.029 -0.785 9.339 1.00 0.98 O ATOM 265 CB SER A 17 -4.622 -0.256 7.120 1.00 0.62 C ATOM 266 OG SER A 17 -5.040 1.050 7.452 1.00 1.38 O ATOM 0 H SER A 17 -4.327 -2.816 7.046 1.00 0.49 H new ATOM 0 HA SER A 17 -4.506 -0.822 9.187 1.00 0.58 H new ATOM 0 HB2 SER A 17 -3.555 -0.254 6.899 1.00 0.62 H new ATOM 0 HB3 SER A 17 -5.134 -0.585 6.216 1.00 0.62 H new ATOM 0 HG SER A 17 -4.894 1.207 8.408 1.00 1.38 H new ATOM 272 N ALA A 18 -7.028 -2.353 7.742 1.00 0.65 N ATOM 273 CA ALA A 18 -8.467 -2.579 7.825 1.00 0.88 C ATOM 274 C ALA A 18 -8.853 -3.430 9.037 1.00 0.85 C ATOM 275 O ALA A 18 -9.903 -3.208 9.650 1.00 1.04 O ATOM 276 CB ALA A 18 -8.983 -3.212 6.542 1.00 1.13 C ATOM 0 H ALA A 18 -6.544 -2.953 7.074 1.00 0.65 H new ATOM 0 HA ALA A 18 -8.938 -1.604 7.954 1.00 0.88 H new ATOM 0 HB1 ALA A 18 -10.058 -3.373 6.623 1.00 1.13 H new ATOM 0 HB2 ALA A 18 -8.777 -2.550 5.701 1.00 1.13 H new ATOM 0 HB3 ALA A 18 -8.484 -4.168 6.382 1.00 1.13 H new ATOM 282 N GLY A 19 -8.023 -4.407 9.365 1.00 0.79 N ATOM 283 CA GLY A 19 -8.293 -5.297 10.490 1.00 0.97 C ATOM 284 C GLY A 19 -8.986 -6.570 10.057 1.00 1.18 C ATOM 285 O GLY A 19 -8.848 -7.625 10.684 1.00 1.57 O ATOM 0 H GLY A 19 -7.154 -4.607 8.869 1.00 0.79 H new ATOM 0 HA2 GLY A 19 -7.356 -5.547 10.987 1.00 0.97 H new ATOM 0 HA3 GLY A 19 -8.913 -4.778 11.221 1.00 0.97 H new ATOM 289 N GLU A 20 -9.701 -6.474 8.974 1.00 1.43 N ATOM 290 CA GLU A 20 -10.456 -7.561 8.426 1.00 1.75 C ATOM 291 C GLU A 20 -10.349 -7.489 6.915 1.00 1.79 C ATOM 292 O GLU A 20 -10.234 -6.394 6.356 1.00 2.30 O ATOM 293 CB GLU A 20 -11.927 -7.403 8.826 1.00 2.40 C ATOM 294 CG GLU A 20 -12.849 -8.478 8.280 1.00 3.14 C ATOM 295 CD GLU A 20 -14.287 -8.070 8.339 1.00 3.62 C ATOM 296 OE1 GLU A 20 -14.674 -7.174 7.563 1.00 3.97 O ATOM 297 OE2 GLU A 20 -15.055 -8.618 9.158 1.00 4.15 O ATOM 0 H GLU A 20 -9.776 -5.613 8.433 1.00 1.43 H new ATOM 0 HA GLU A 20 -10.077 -8.514 8.796 1.00 1.75 H new ATOM 0 HB2 GLU A 20 -11.996 -7.402 9.914 1.00 2.40 H new ATOM 0 HB3 GLU A 20 -12.281 -6.431 8.483 1.00 2.40 H new ATOM 0 HG2 GLU A 20 -12.577 -8.698 7.248 1.00 3.14 H new ATOM 0 HG3 GLU A 20 -12.710 -9.397 8.849 1.00 3.14 H new ATOM 304 N THR A 21 -10.369 -8.617 6.272 1.00 1.91 N ATOM 305 CA THR A 21 -10.379 -8.674 4.846 1.00 2.43 C ATOM 306 C THR A 21 -11.441 -9.690 4.393 1.00 2.45 C ATOM 307 O THR A 21 -11.173 -10.834 4.022 1.00 3.06 O ATOM 308 CB THR A 21 -8.957 -8.937 4.253 1.00 3.22 C ATOM 309 OG1 THR A 21 -8.960 -8.851 2.821 1.00 3.77 O ATOM 310 CG2 THR A 21 -8.352 -10.271 4.704 1.00 3.83 C ATOM 0 H THR A 21 -10.379 -9.529 6.728 1.00 1.91 H new ATOM 0 HA THR A 21 -10.658 -7.700 4.444 1.00 2.43 H new ATOM 0 HB THR A 21 -8.321 -8.147 4.652 1.00 3.22 H new ATOM 0 HG1 THR A 21 -9.552 -8.123 2.538 1.00 3.77 H new ATOM 0 HG21 THR A 21 -7.365 -10.392 4.257 1.00 3.83 H new ATOM 0 HG22 THR A 21 -8.262 -10.281 5.790 1.00 3.83 H new ATOM 0 HG23 THR A 21 -8.998 -11.089 4.386 1.00 3.83 H new ATOM 318 N ASP A 22 -12.661 -9.298 4.567 1.00 2.17 N ATOM 319 CA ASP A 22 -13.779 -10.146 4.195 1.00 2.48 C ATOM 320 C ASP A 22 -14.785 -9.351 3.418 1.00 2.10 C ATOM 321 O ASP A 22 -15.174 -9.732 2.321 1.00 2.55 O ATOM 322 CB ASP A 22 -14.434 -10.789 5.408 1.00 3.04 C ATOM 323 CG ASP A 22 -15.491 -11.774 4.994 1.00 3.67 C ATOM 324 OD1 ASP A 22 -15.160 -12.940 4.704 1.00 4.25 O ATOM 325 OD2 ASP A 22 -16.678 -11.392 4.955 1.00 3.96 O ATOM 0 H ASP A 22 -12.924 -8.396 4.964 1.00 2.17 H new ATOM 0 HA ASP A 22 -13.393 -10.952 3.571 1.00 2.48 H new ATOM 0 HB2 ASP A 22 -13.677 -11.294 6.009 1.00 3.04 H new ATOM 0 HB3 ASP A 22 -14.878 -10.017 6.037 1.00 3.04 H new ATOM 330 N GLY A 23 -15.209 -8.240 3.997 1.00 1.96 N ATOM 331 CA GLY A 23 -16.065 -7.317 3.290 1.00 2.00 C ATOM 332 C GLY A 23 -15.240 -6.592 2.264 1.00 1.94 C ATOM 333 O GLY A 23 -15.712 -6.237 1.182 1.00 2.20 O ATOM 0 H GLY A 23 -14.973 -7.961 4.949 1.00 1.96 H new ATOM 0 HA2 GLY A 23 -16.883 -7.852 2.809 1.00 2.00 H new ATOM 0 HA3 GLY A 23 -16.514 -6.608 3.986 1.00 2.00 H new ATOM 337 N THR A 24 -14.001 -6.384 2.621 1.00 1.83 N ATOM 338 CA THR A 24 -13.017 -5.830 1.759 1.00 1.80 C ATOM 339 C THR A 24 -11.904 -6.879 1.579 1.00 1.84 C ATOM 340 O THR A 24 -10.855 -6.832 2.233 1.00 1.90 O ATOM 341 CB THR A 24 -12.445 -4.518 2.358 1.00 1.83 C ATOM 342 OG1 THR A 24 -13.538 -3.613 2.653 1.00 1.96 O ATOM 343 CG2 THR A 24 -11.494 -3.839 1.376 1.00 1.85 C ATOM 0 H THR A 24 -13.647 -6.606 3.552 1.00 1.83 H new ATOM 0 HA THR A 24 -13.457 -5.581 0.793 1.00 1.80 H new ATOM 0 HB THR A 24 -11.895 -4.764 3.267 1.00 1.83 H new ATOM 0 HG1 THR A 24 -13.182 -2.783 3.033 1.00 1.96 H new ATOM 0 HG21 THR A 24 -11.107 -2.922 1.820 1.00 1.85 H new ATOM 0 HG22 THR A 24 -10.666 -4.510 1.149 1.00 1.85 H new ATOM 0 HG23 THR A 24 -12.030 -3.600 0.457 1.00 1.85 H new ATOM 351 N ASP A 25 -12.210 -7.904 0.823 1.00 1.96 N ATOM 352 CA ASP A 25 -11.245 -8.936 0.533 1.00 2.09 C ATOM 353 C ASP A 25 -10.616 -8.660 -0.808 1.00 1.62 C ATOM 354 O ASP A 25 -11.287 -8.197 -1.733 1.00 1.86 O ATOM 355 CB ASP A 25 -11.862 -10.332 0.580 1.00 2.69 C ATOM 356 CG ASP A 25 -10.845 -11.401 0.265 1.00 3.10 C ATOM 357 OD1 ASP A 25 -9.820 -11.501 0.978 1.00 3.40 O ATOM 358 OD2 ASP A 25 -11.032 -12.144 -0.697 1.00 3.55 O ATOM 0 H ASP A 25 -13.125 -8.046 0.395 1.00 1.96 H new ATOM 0 HA ASP A 25 -10.476 -8.918 1.305 1.00 2.09 H new ATOM 0 HB2 ASP A 25 -12.284 -10.511 1.569 1.00 2.69 H new ATOM 0 HB3 ASP A 25 -12.685 -10.391 -0.133 1.00 2.69 H new ATOM 363 N LEU A 26 -9.347 -8.924 -0.920 1.00 1.28 N ATOM 364 CA LEU A 26 -8.599 -8.562 -2.111 1.00 0.95 C ATOM 365 C LEU A 26 -8.318 -9.766 -3.009 1.00 1.02 C ATOM 366 O LEU A 26 -7.319 -9.792 -3.723 1.00 1.36 O ATOM 367 CB LEU A 26 -7.273 -7.844 -1.746 1.00 1.16 C ATOM 368 CG LEU A 26 -7.360 -6.479 -1.016 1.00 0.73 C ATOM 369 CD1 LEU A 26 -8.312 -5.523 -1.717 1.00 0.86 C ATOM 370 CD2 LEU A 26 -7.700 -6.628 0.466 1.00 1.05 C ATOM 0 H LEU A 26 -8.796 -9.392 -0.201 1.00 1.28 H new ATOM 0 HA LEU A 26 -9.228 -7.872 -2.673 1.00 0.95 H new ATOM 0 HB2 LEU A 26 -6.689 -8.520 -1.121 1.00 1.16 H new ATOM 0 HB3 LEU A 26 -6.710 -7.694 -2.667 1.00 1.16 H new ATOM 0 HG LEU A 26 -6.363 -6.040 -1.064 1.00 0.73 H new ATOM 0 HD11 LEU A 26 -8.344 -4.578 -1.174 1.00 0.86 H new ATOM 0 HD12 LEU A 26 -7.965 -5.345 -2.735 1.00 0.86 H new ATOM 0 HD13 LEU A 26 -9.310 -5.959 -1.746 1.00 0.86 H new ATOM 0 HD21 LEU A 26 -7.748 -5.642 0.929 1.00 1.05 H new ATOM 0 HD22 LEU A 26 -8.664 -7.126 0.570 1.00 1.05 H new ATOM 0 HD23 LEU A 26 -6.930 -7.223 0.958 1.00 1.05 H new ATOM 382 N SER A 27 -9.196 -10.742 -2.997 1.00 1.03 N ATOM 383 CA SER A 27 -9.037 -11.882 -3.867 1.00 1.23 C ATOM 384 C SER A 27 -9.460 -11.501 -5.290 1.00 1.39 C ATOM 385 O SER A 27 -10.649 -11.355 -5.582 1.00 2.16 O ATOM 386 CB SER A 27 -9.859 -13.067 -3.364 1.00 1.77 C ATOM 387 OG SER A 27 -9.570 -14.249 -4.095 1.00 2.39 O ATOM 0 H SER A 27 -10.022 -10.769 -2.399 1.00 1.03 H new ATOM 0 HA SER A 27 -7.989 -12.180 -3.871 1.00 1.23 H new ATOM 0 HB2 SER A 27 -9.652 -13.232 -2.307 1.00 1.77 H new ATOM 0 HB3 SER A 27 -10.921 -12.836 -3.448 1.00 1.77 H new ATOM 0 HG SER A 27 -10.111 -14.989 -3.748 1.00 2.39 H new ATOM 393 N GLY A 28 -8.489 -11.280 -6.133 1.00 1.32 N ATOM 394 CA GLY A 28 -8.738 -10.922 -7.498 1.00 1.62 C ATOM 395 C GLY A 28 -7.780 -9.849 -7.895 1.00 1.42 C ATOM 396 O GLY A 28 -6.692 -9.763 -7.312 1.00 1.77 O ATOM 0 H GLY A 28 -7.501 -11.344 -5.890 1.00 1.32 H new ATOM 0 HA2 GLY A 28 -8.620 -11.792 -8.144 1.00 1.62 H new ATOM 0 HA3 GLY A 28 -9.764 -10.574 -7.616 1.00 1.62 H new ATOM 400 N ASP A 29 -8.135 -9.025 -8.848 1.00 1.39 N ATOM 401 CA ASP A 29 -7.249 -7.936 -9.203 1.00 1.21 C ATOM 402 C ASP A 29 -7.623 -6.715 -8.447 1.00 0.96 C ATOM 403 O ASP A 29 -8.697 -6.150 -8.641 1.00 1.17 O ATOM 404 CB ASP A 29 -7.187 -7.606 -10.691 1.00 1.44 C ATOM 405 CG ASP A 29 -6.158 -6.494 -10.953 1.00 1.84 C ATOM 406 OD1 ASP A 29 -4.946 -6.805 -11.064 1.00 2.28 O ATOM 407 OD2 ASP A 29 -6.524 -5.307 -11.013 1.00 2.30 O ATOM 0 H ASP A 29 -9.003 -9.079 -9.381 1.00 1.39 H new ATOM 0 HA ASP A 29 -6.251 -8.284 -8.935 1.00 1.21 H new ATOM 0 HB2 ASP A 29 -6.919 -8.498 -11.257 1.00 1.44 H new ATOM 0 HB3 ASP A 29 -8.170 -7.290 -11.041 1.00 1.44 H new ATOM 412 N PHE A 30 -6.765 -6.323 -7.583 1.00 0.73 N ATOM 413 CA PHE A 30 -6.979 -5.161 -6.792 1.00 0.56 C ATOM 414 C PHE A 30 -5.910 -4.147 -7.101 1.00 0.46 C ATOM 415 O PHE A 30 -5.994 -3.016 -6.684 1.00 0.43 O ATOM 416 CB PHE A 30 -6.991 -5.510 -5.287 1.00 0.53 C ATOM 417 CG PHE A 30 -5.692 -6.063 -4.744 1.00 0.55 C ATOM 418 CD1 PHE A 30 -5.344 -7.391 -4.943 1.00 0.74 C ATOM 419 CD2 PHE A 30 -4.826 -5.251 -4.028 1.00 0.55 C ATOM 420 CE1 PHE A 30 -4.160 -7.894 -4.445 1.00 0.89 C ATOM 421 CE2 PHE A 30 -3.643 -5.750 -3.529 1.00 0.68 C ATOM 422 CZ PHE A 30 -3.312 -7.072 -3.737 1.00 0.83 C ATOM 0 H PHE A 30 -5.883 -6.801 -7.399 1.00 0.73 H new ATOM 0 HA PHE A 30 -7.954 -4.738 -7.035 1.00 0.56 H new ATOM 0 HB2 PHE A 30 -7.249 -4.613 -4.724 1.00 0.53 H new ATOM 0 HB3 PHE A 30 -7.781 -6.238 -5.105 1.00 0.53 H new ATOM 0 HD1 PHE A 30 -6.008 -8.039 -5.495 1.00 0.74 H new ATOM 0 HD2 PHE A 30 -5.082 -4.215 -3.860 1.00 0.55 H new ATOM 0 HE1 PHE A 30 -3.899 -8.929 -4.610 1.00 0.89 H new ATOM 0 HE2 PHE A 30 -2.976 -5.106 -2.975 1.00 0.68 H new ATOM 0 HZ PHE A 30 -2.386 -7.464 -3.344 1.00 0.83 H new ATOM 432 N LEU A 31 -4.933 -4.561 -7.894 1.00 0.49 N ATOM 433 CA LEU A 31 -3.792 -3.791 -8.209 1.00 0.49 C ATOM 434 C LEU A 31 -4.166 -2.539 -9.030 1.00 0.49 C ATOM 435 O LEU A 31 -3.485 -1.511 -8.949 1.00 0.58 O ATOM 436 CB LEU A 31 -2.839 -4.692 -8.980 1.00 0.59 C ATOM 437 CG LEU A 31 -1.460 -4.170 -9.181 1.00 0.86 C ATOM 438 CD1 LEU A 31 -0.723 -4.080 -7.849 1.00 1.08 C ATOM 439 CD2 LEU A 31 -0.689 -4.997 -10.192 1.00 1.85 C ATOM 0 H LEU A 31 -4.936 -5.479 -8.340 1.00 0.49 H new ATOM 0 HA LEU A 31 -3.318 -3.426 -7.298 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -2.771 -5.646 -8.458 1.00 0.59 H new ATOM 0 HB3 LEU A 31 -3.275 -4.894 -9.958 1.00 0.59 H new ATOM 0 HG LEU A 31 -1.538 -3.164 -9.592 1.00 0.86 H new ATOM 0 HD11 LEU A 31 0.284 -3.696 -8.015 1.00 1.08 H new ATOM 0 HD12 LEU A 31 -1.261 -3.409 -7.180 1.00 1.08 H new ATOM 0 HD13 LEU A 31 -0.664 -5.071 -7.398 1.00 1.08 H new ATOM 0 HD21 LEU A 31 0.313 -4.584 -10.311 1.00 1.85 H new ATOM 0 HD22 LEU A 31 -0.618 -6.027 -9.841 1.00 1.85 H new ATOM 0 HD23 LEU A 31 -1.207 -4.975 -11.151 1.00 1.85 H new ATOM 451 N ASP A 32 -5.238 -2.630 -9.805 1.00 0.49 N ATOM 452 CA ASP A 32 -5.706 -1.491 -10.612 1.00 0.67 C ATOM 453 C ASP A 32 -6.948 -0.830 -9.965 1.00 0.57 C ATOM 454 O ASP A 32 -7.440 0.215 -10.421 1.00 0.74 O ATOM 455 CB ASP A 32 -6.009 -1.963 -12.052 1.00 0.94 C ATOM 456 CG ASP A 32 -6.491 -0.863 -12.987 1.00 1.76 C ATOM 457 OD1 ASP A 32 -5.655 -0.124 -13.547 1.00 2.55 O ATOM 458 OD2 ASP A 32 -7.717 -0.751 -13.212 1.00 2.27 O ATOM 0 H ASP A 32 -5.804 -3.473 -9.898 1.00 0.49 H new ATOM 0 HA ASP A 32 -4.920 -0.737 -10.651 1.00 0.67 H new ATOM 0 HB2 ASP A 32 -5.108 -2.410 -12.472 1.00 0.94 H new ATOM 0 HB3 ASP A 32 -6.766 -2.747 -12.013 1.00 0.94 H new ATOM 463 N LEU A 33 -7.415 -1.413 -8.872 1.00 0.51 N ATOM 464 CA LEU A 33 -8.611 -0.926 -8.193 1.00 0.60 C ATOM 465 C LEU A 33 -8.408 0.414 -7.530 1.00 0.50 C ATOM 466 O LEU A 33 -7.494 0.601 -6.740 1.00 0.60 O ATOM 467 CB LEU A 33 -9.155 -1.934 -7.174 1.00 0.85 C ATOM 468 CG LEU A 33 -9.955 -3.102 -7.740 1.00 0.69 C ATOM 469 CD1 LEU A 33 -10.361 -4.049 -6.624 1.00 1.35 C ATOM 470 CD2 LEU A 33 -11.193 -2.577 -8.440 1.00 1.12 C ATOM 0 H LEU A 33 -6.984 -2.227 -8.433 1.00 0.51 H new ATOM 0 HA LEU A 33 -9.352 -0.799 -8.982 1.00 0.60 H new ATOM 0 HB2 LEU A 33 -8.314 -2.337 -6.609 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -9.787 -1.398 -6.466 1.00 0.85 H new ATOM 0 HG LEU A 33 -9.335 -3.644 -8.454 1.00 0.69 H new ATOM 0 HD11 LEU A 33 -10.932 -4.879 -7.041 1.00 1.35 H new ATOM 0 HD12 LEU A 33 -9.468 -4.434 -6.131 1.00 1.35 H new ATOM 0 HD13 LEU A 33 -10.975 -3.515 -5.899 1.00 1.35 H new ATOM 0 HD21 LEU A 33 -11.764 -3.413 -8.844 1.00 1.12 H new ATOM 0 HD22 LEU A 33 -11.808 -2.028 -7.728 1.00 1.12 H new ATOM 0 HD23 LEU A 33 -10.898 -1.913 -9.252 1.00 1.12 H new ATOM 482 N ARG A 34 -9.267 1.338 -7.870 1.00 0.50 N ATOM 483 CA ARG A 34 -9.279 2.640 -7.263 1.00 0.51 C ATOM 484 C ARG A 34 -9.655 2.498 -5.803 1.00 0.47 C ATOM 485 O ARG A 34 -10.682 1.882 -5.479 1.00 0.58 O ATOM 486 CB ARG A 34 -10.290 3.539 -7.976 1.00 0.67 C ATOM 487 CG ARG A 34 -9.920 3.878 -9.414 1.00 0.85 C ATOM 488 CD ARG A 34 -8.708 4.789 -9.471 1.00 0.93 C ATOM 489 NE ARG A 34 -8.991 6.097 -8.856 1.00 1.72 N ATOM 490 CZ ARG A 34 -8.229 7.187 -8.952 1.00 2.04 C ATOM 491 NH1 ARG A 34 -7.204 7.211 -9.793 1.00 1.66 N ATOM 492 NH2 ARG A 34 -8.551 8.281 -8.267 1.00 3.07 N ATOM 0 H ARG A 34 -9.984 1.206 -8.583 1.00 0.50 H new ATOM 0 HA ARG A 34 -8.291 3.092 -7.346 1.00 0.51 H new ATOM 0 HB2 ARG A 34 -11.263 3.048 -7.969 1.00 0.67 H new ATOM 0 HB3 ARG A 34 -10.396 4.466 -7.412 1.00 0.67 H new ATOM 0 HG2 ARG A 34 -9.714 2.960 -9.965 1.00 0.85 H new ATOM 0 HG3 ARG A 34 -10.765 4.362 -9.905 1.00 0.85 H new ATOM 0 HD2 ARG A 34 -7.871 4.317 -8.957 1.00 0.93 H new ATOM 0 HD3 ARG A 34 -8.406 4.931 -10.509 1.00 0.93 H new ATOM 0 HE ARG A 34 -9.847 6.176 -8.307 1.00 1.72 H new ATOM 0 HH11 ARG A 34 -6.997 6.394 -10.368 1.00 1.66 H new ATOM 0 HH12 ARG A 34 -6.623 8.046 -9.865 1.00 1.66 H new ATOM 0 HH21 ARG A 34 -9.379 8.284 -7.671 1.00 3.07 H new ATOM 0 HH22 ARG A 34 -7.970 9.117 -8.338 1.00 3.07 H new ATOM 506 N PHE A 35 -8.832 3.055 -4.929 1.00 0.42 N ATOM 507 CA PHE A 35 -9.055 2.987 -3.483 1.00 0.42 C ATOM 508 C PHE A 35 -10.421 3.524 -3.110 1.00 0.53 C ATOM 509 O PHE A 35 -11.099 2.971 -2.260 1.00 0.61 O ATOM 510 CB PHE A 35 -7.981 3.754 -2.729 1.00 0.41 C ATOM 511 CG PHE A 35 -6.606 3.209 -2.915 1.00 0.39 C ATOM 512 CD1 PHE A 35 -6.234 2.024 -2.308 1.00 0.43 C ATOM 513 CD2 PHE A 35 -5.685 3.879 -3.691 1.00 0.44 C ATOM 514 CE1 PHE A 35 -4.964 1.521 -2.470 1.00 0.51 C ATOM 515 CE2 PHE A 35 -4.414 3.383 -3.854 1.00 0.51 C ATOM 516 CZ PHE A 35 -4.053 2.204 -3.242 1.00 0.53 C ATOM 0 H PHE A 35 -7.991 3.567 -5.195 1.00 0.42 H new ATOM 0 HA PHE A 35 -9.005 1.936 -3.199 1.00 0.42 H new ATOM 0 HB2 PHE A 35 -7.996 4.794 -3.054 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -8.223 3.748 -1.666 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.948 1.488 -1.700 1.00 0.43 H new ATOM 0 HD2 PHE A 35 -5.965 4.803 -4.176 1.00 0.44 H new ATOM 0 HE1 PHE A 35 -4.683 0.594 -1.993 1.00 0.51 H new ATOM 0 HE2 PHE A 35 -3.699 3.918 -4.462 1.00 0.51 H new ATOM 0 HZ PHE A 35 -3.053 1.815 -3.368 1.00 0.53 H new ATOM 526 N GLU A 36 -10.825 4.558 -3.806 1.00 0.64 N ATOM 527 CA GLU A 36 -12.101 5.212 -3.607 1.00 0.83 C ATOM 528 C GLU A 36 -13.276 4.235 -3.813 1.00 0.92 C ATOM 529 O GLU A 36 -14.295 4.328 -3.131 1.00 1.05 O ATOM 530 CB GLU A 36 -12.189 6.366 -4.580 1.00 1.00 C ATOM 531 CG GLU A 36 -13.472 7.158 -4.543 1.00 1.56 C ATOM 532 CD GLU A 36 -13.472 8.189 -5.613 1.00 2.05 C ATOM 533 OE1 GLU A 36 -13.639 7.819 -6.789 1.00 2.39 O ATOM 534 OE2 GLU A 36 -13.250 9.379 -5.312 1.00 2.77 O ATOM 0 H GLU A 36 -10.264 4.981 -4.546 1.00 0.64 H new ATOM 0 HA GLU A 36 -12.170 5.573 -2.581 1.00 0.83 H new ATOM 0 HB2 GLU A 36 -11.359 7.045 -4.385 1.00 1.00 H new ATOM 0 HB3 GLU A 36 -12.053 5.977 -5.589 1.00 1.00 H new ATOM 0 HG2 GLU A 36 -14.324 6.490 -4.672 1.00 1.56 H new ATOM 0 HG3 GLU A 36 -13.585 7.635 -3.569 1.00 1.56 H new ATOM 541 N ASP A 37 -13.114 3.281 -4.717 1.00 0.92 N ATOM 542 CA ASP A 37 -14.183 2.325 -4.991 1.00 1.07 C ATOM 543 C ASP A 37 -14.199 1.256 -3.920 1.00 1.02 C ATOM 544 O ASP A 37 -15.262 0.830 -3.455 1.00 1.20 O ATOM 545 CB ASP A 37 -14.029 1.673 -6.368 1.00 1.17 C ATOM 546 CG ASP A 37 -15.229 0.814 -6.725 1.00 1.39 C ATOM 547 OD1 ASP A 37 -16.208 1.358 -7.281 1.00 1.64 O ATOM 548 OD2 ASP A 37 -15.225 -0.405 -6.454 1.00 1.99 O ATOM 0 H ASP A 37 -12.266 3.146 -5.268 1.00 0.92 H new ATOM 0 HA ASP A 37 -15.126 2.872 -4.987 1.00 1.07 H new ATOM 0 HB2 ASP A 37 -13.899 2.447 -7.124 1.00 1.17 H new ATOM 0 HB3 ASP A 37 -13.127 1.061 -6.381 1.00 1.17 H new ATOM 553 N ILE A 38 -13.014 0.864 -3.477 1.00 0.85 N ATOM 554 CA ILE A 38 -12.890 -0.168 -2.454 1.00 0.88 C ATOM 555 C ILE A 38 -12.976 0.395 -1.032 1.00 0.84 C ATOM 556 O ILE A 38 -12.703 -0.306 -0.055 1.00 0.91 O ATOM 557 CB ILE A 38 -11.639 -1.068 -2.632 1.00 0.85 C ATOM 558 CG1 ILE A 38 -10.353 -0.229 -2.675 1.00 0.66 C ATOM 559 CG2 ILE A 38 -11.783 -1.892 -3.895 1.00 0.97 C ATOM 560 CD1 ILE A 38 -9.071 -1.040 -2.758 1.00 0.68 C ATOM 0 H ILE A 38 -12.126 1.242 -3.807 1.00 0.85 H new ATOM 0 HA ILE A 38 -13.757 -0.813 -2.600 1.00 0.88 H new ATOM 0 HB ILE A 38 -11.565 -1.737 -1.774 1.00 0.85 H new ATOM 0 HG12 ILE A 38 -10.400 0.440 -3.534 1.00 0.66 H new ATOM 0 HG13 ILE A 38 -10.314 0.398 -1.784 1.00 0.66 H new ATOM 0 HG21 ILE A 38 -10.904 -2.524 -4.019 1.00 0.97 H new ATOM 0 HG22 ILE A 38 -12.672 -2.518 -3.822 1.00 0.97 H new ATOM 0 HG23 ILE A 38 -11.877 -1.228 -4.754 1.00 0.97 H new ATOM 0 HD11 ILE A 38 -8.215 -0.366 -2.784 1.00 0.68 H new ATOM 0 HD12 ILE A 38 -8.995 -1.690 -1.886 1.00 0.68 H new ATOM 0 HD13 ILE A 38 -9.082 -1.647 -3.663 1.00 0.68 H new ATOM 572 N GLY A 39 -13.434 1.629 -0.940 1.00 0.81 N ATOM 573 CA GLY A 39 -13.674 2.285 0.336 1.00 0.82 C ATOM 574 C GLY A 39 -12.416 2.605 1.124 1.00 0.71 C ATOM 575 O GLY A 39 -12.438 2.596 2.353 1.00 0.82 O ATOM 0 H GLY A 39 -13.652 2.209 -1.750 1.00 0.81 H new ATOM 0 HA2 GLY A 39 -14.221 3.211 0.157 1.00 0.82 H new ATOM 0 HA3 GLY A 39 -14.316 1.647 0.943 1.00 0.82 H new ATOM 579 N TYR A 40 -11.344 2.890 0.436 1.00 0.56 N ATOM 580 CA TYR A 40 -10.083 3.222 1.070 1.00 0.48 C ATOM 581 C TYR A 40 -9.767 4.691 0.983 1.00 0.43 C ATOM 582 O TYR A 40 -9.857 5.297 -0.092 1.00 0.50 O ATOM 583 CB TYR A 40 -8.924 2.418 0.477 1.00 0.51 C ATOM 584 CG TYR A 40 -8.539 1.218 1.286 1.00 0.52 C ATOM 585 CD1 TYR A 40 -9.309 0.070 1.285 1.00 0.67 C ATOM 586 CD2 TYR A 40 -7.396 1.246 2.078 1.00 0.60 C ATOM 587 CE1 TYR A 40 -8.953 -1.017 2.047 1.00 0.83 C ATOM 588 CE2 TYR A 40 -7.036 0.168 2.844 1.00 0.79 C ATOM 589 CZ TYR A 40 -7.820 -0.965 2.824 1.00 0.88 C ATOM 590 OH TYR A 40 -7.478 -2.044 3.587 1.00 1.13 O ATOM 0 H TYR A 40 -11.313 2.900 -0.583 1.00 0.56 H new ATOM 0 HA TYR A 40 -10.199 2.958 2.121 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -9.196 2.094 -0.528 1.00 0.51 H new ATOM 0 HB3 TYR A 40 -8.056 3.070 0.377 1.00 0.51 H new ATOM 0 HD1 TYR A 40 -10.201 0.027 0.678 1.00 0.67 H new ATOM 0 HD2 TYR A 40 -6.781 2.134 2.090 1.00 0.60 H new ATOM 0 HE1 TYR A 40 -9.561 -1.909 2.035 1.00 0.83 H new ATOM 0 HE2 TYR A 40 -6.147 0.206 3.457 1.00 0.79 H new ATOM 0 HH TYR A 40 -6.688 -1.827 4.125 1.00 1.13 H new ATOM 600 N ASP A 41 -9.403 5.253 2.108 1.00 0.49 N ATOM 601 CA ASP A 41 -8.943 6.626 2.177 1.00 0.54 C ATOM 602 C ASP A 41 -7.450 6.642 2.211 1.00 0.52 C ATOM 603 O ASP A 41 -6.811 5.660 2.624 1.00 0.88 O ATOM 604 CB ASP A 41 -9.446 7.375 3.425 1.00 0.71 C ATOM 605 CG ASP A 41 -10.878 7.825 3.358 1.00 1.05 C ATOM 606 OD1 ASP A 41 -11.153 8.870 2.720 1.00 1.48 O ATOM 607 OD2 ASP A 41 -11.746 7.198 4.011 1.00 1.35 O ATOM 0 H ASP A 41 -9.416 4.773 3.008 1.00 0.49 H new ATOM 0 HA ASP A 41 -9.342 7.130 1.297 1.00 0.54 H new ATOM 0 HB2 ASP A 41 -9.324 6.727 4.293 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -8.813 8.248 3.587 1.00 0.71 H new ATOM 612 N SER A 42 -6.881 7.757 1.844 1.00 0.39 N ATOM 613 CA SER A 42 -5.455 7.923 1.854 1.00 0.48 C ATOM 614 C SER A 42 -4.927 7.961 3.280 1.00 0.42 C ATOM 615 O SER A 42 -3.769 7.639 3.533 1.00 0.43 O ATOM 616 CB SER A 42 -5.058 9.163 1.086 1.00 0.71 C ATOM 617 OG SER A 42 -6.246 9.911 0.631 1.00 0.98 O ATOM 0 H SER A 42 -7.396 8.579 1.528 1.00 0.39 H new ATOM 0 HA SER A 42 -5.004 7.064 1.357 1.00 0.48 H new ATOM 0 HB2 SER A 42 -4.441 9.803 1.717 1.00 0.71 H new ATOM 0 HB3 SER A 42 -4.450 8.882 0.226 1.00 0.71 H new ATOM 622 N LEU A 43 -5.792 8.352 4.203 1.00 0.46 N ATOM 623 CA LEU A 43 -5.489 8.321 5.626 1.00 0.52 C ATOM 624 C LEU A 43 -5.084 6.897 6.045 1.00 0.45 C ATOM 625 O LEU A 43 -4.041 6.688 6.687 1.00 0.53 O ATOM 626 CB LEU A 43 -6.710 8.774 6.430 1.00 0.66 C ATOM 627 CG LEU A 43 -7.249 10.173 6.115 1.00 0.83 C ATOM 628 CD1 LEU A 43 -8.480 10.468 6.948 1.00 1.02 C ATOM 629 CD2 LEU A 43 -6.180 11.230 6.352 1.00 0.97 C ATOM 0 H LEU A 43 -6.726 8.700 3.986 1.00 0.46 H new ATOM 0 HA LEU A 43 -4.660 9.000 5.827 1.00 0.52 H new ATOM 0 HB2 LEU A 43 -7.512 8.054 6.269 1.00 0.66 H new ATOM 0 HB3 LEU A 43 -6.456 8.736 7.489 1.00 0.66 H new ATOM 0 HG LEU A 43 -7.529 10.201 5.062 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -8.849 11.466 6.711 1.00 1.02 H new ATOM 0 HD12 LEU A 43 -9.254 9.733 6.727 1.00 1.02 H new ATOM 0 HD13 LEU A 43 -8.224 10.418 8.006 1.00 1.02 H new ATOM 0 HD21 LEU A 43 -6.585 12.215 6.122 1.00 0.97 H new ATOM 0 HD22 LEU A 43 -5.865 11.202 7.395 1.00 0.97 H new ATOM 0 HD23 LEU A 43 -5.323 11.031 5.709 1.00 0.97 H new ATOM 641 N ALA A 44 -5.881 5.920 5.617 1.00 0.40 N ATOM 642 CA ALA A 44 -5.612 4.521 5.910 1.00 0.39 C ATOM 643 C ALA A 44 -4.427 4.040 5.092 1.00 0.34 C ATOM 644 O ALA A 44 -3.647 3.201 5.534 1.00 0.38 O ATOM 645 CB ALA A 44 -6.836 3.671 5.632 1.00 0.43 C ATOM 0 H ALA A 44 -6.723 6.077 5.063 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.369 4.424 6.968 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -6.614 2.628 5.858 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.663 4.009 6.256 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.113 3.764 4.582 1.00 0.43 H new ATOM 651 N LEU A 45 -4.275 4.597 3.907 1.00 0.31 N ATOM 652 CA LEU A 45 -3.143 4.277 3.051 1.00 0.30 C ATOM 653 C LEU A 45 -1.826 4.682 3.702 1.00 0.29 C ATOM 654 O LEU A 45 -0.824 3.984 3.568 1.00 0.30 O ATOM 655 CB LEU A 45 -3.289 4.924 1.677 1.00 0.32 C ATOM 656 CG LEU A 45 -4.433 4.392 0.831 1.00 0.33 C ATOM 657 CD1 LEU A 45 -4.517 5.142 -0.480 1.00 0.34 C ATOM 658 CD2 LEU A 45 -4.232 2.916 0.577 1.00 0.36 C ATOM 0 H LEU A 45 -4.923 5.277 3.511 1.00 0.31 H new ATOM 0 HA LEU A 45 -3.132 3.196 2.914 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -3.425 5.997 1.811 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -2.358 4.787 1.128 1.00 0.32 H new ATOM 0 HG LEU A 45 -5.369 4.539 1.370 1.00 0.33 H new ATOM 0 HD11 LEU A 45 -5.342 4.747 -1.073 1.00 0.34 H new ATOM 0 HD12 LEU A 45 -4.685 6.201 -0.283 1.00 0.34 H new ATOM 0 HD13 LEU A 45 -3.584 5.019 -1.030 1.00 0.34 H new ATOM 0 HD21 LEU A 45 -5.054 2.536 -0.030 1.00 0.36 H new ATOM 0 HD22 LEU A 45 -3.290 2.762 0.050 1.00 0.36 H new ATOM 0 HD23 LEU A 45 -4.207 2.383 1.528 1.00 0.36 H new ATOM 670 N MET A 46 -1.839 5.799 4.435 1.00 0.30 N ATOM 671 CA MET A 46 -0.654 6.251 5.172 1.00 0.31 C ATOM 672 C MET A 46 -0.301 5.240 6.241 1.00 0.33 C ATOM 673 O MET A 46 0.869 4.982 6.501 1.00 0.37 O ATOM 674 CB MET A 46 -0.852 7.631 5.825 1.00 0.37 C ATOM 675 CG MET A 46 -1.076 8.784 4.862 1.00 0.40 C ATOM 676 SD MET A 46 -1.237 10.378 5.709 1.00 0.54 S ATOM 677 CE MET A 46 -2.615 10.062 6.809 1.00 1.67 C ATOM 0 H MET A 46 -2.653 6.405 4.534 1.00 0.30 H new ATOM 0 HA MET A 46 0.156 6.343 4.448 1.00 0.31 H new ATOM 0 HB2 MET A 46 -1.705 7.575 6.501 1.00 0.37 H new ATOM 0 HB3 MET A 46 0.024 7.854 6.434 1.00 0.37 H new ATOM 0 HG2 MET A 46 -0.244 8.833 4.159 1.00 0.40 H new ATOM 0 HG3 MET A 46 -1.976 8.595 4.278 1.00 0.40 H new ATOM 0 HE1 MET A 46 -3.326 10.886 6.748 1.00 1.67 H new ATOM 0 HE2 MET A 46 -3.108 9.135 6.517 1.00 1.67 H new ATOM 0 HE3 MET A 46 -2.251 9.973 7.832 1.00 1.67 H new ATOM 687 N GLU A 47 -1.319 4.649 6.837 1.00 0.36 N ATOM 688 CA GLU A 47 -1.117 3.638 7.856 1.00 0.42 C ATOM 689 C GLU A 47 -0.586 2.370 7.205 1.00 0.43 C ATOM 690 O GLU A 47 0.333 1.741 7.716 1.00 0.52 O ATOM 691 CB GLU A 47 -2.416 3.352 8.600 1.00 0.45 C ATOM 692 CG GLU A 47 -2.247 2.383 9.758 1.00 0.62 C ATOM 693 CD GLU A 47 -3.528 2.114 10.480 1.00 1.07 C ATOM 694 OE1 GLU A 47 -4.347 1.316 9.987 1.00 1.97 O ATOM 695 OE2 GLU A 47 -3.740 2.663 11.558 1.00 1.29 O ATOM 0 H GLU A 47 -2.297 4.853 6.632 1.00 0.36 H new ATOM 0 HA GLU A 47 -0.391 4.004 8.582 1.00 0.42 H new ATOM 0 HB2 GLU A 47 -2.824 4.290 8.977 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.146 2.946 7.899 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -1.842 1.443 9.383 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -1.517 2.787 10.460 1.00 0.62 H new ATOM 702 N THR A 48 -1.165 2.029 6.058 1.00 0.39 N ATOM 703 CA THR A 48 -0.747 0.889 5.255 1.00 0.44 C ATOM 704 C THR A 48 0.764 1.004 4.946 1.00 0.45 C ATOM 705 O THR A 48 1.534 0.061 5.180 1.00 0.56 O ATOM 706 CB THR A 48 -1.565 0.865 3.936 1.00 0.44 C ATOM 707 OG1 THR A 48 -2.975 0.825 4.244 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.206 -0.345 3.084 1.00 0.53 C ATOM 0 H THR A 48 -1.948 2.545 5.656 1.00 0.39 H new ATOM 0 HA THR A 48 -0.926 -0.036 5.802 1.00 0.44 H new ATOM 0 HB THR A 48 -1.326 1.767 3.373 1.00 0.44 H new ATOM 0 HG1 THR A 48 -3.257 1.694 4.599 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.796 -0.333 2.168 1.00 0.53 H new ATOM 0 HG22 THR A 48 -0.146 -0.312 2.833 1.00 0.53 H new ATOM 0 HG23 THR A 48 -1.419 -1.258 3.640 1.00 0.53 H new ATOM 716 N ALA A 49 1.169 2.174 4.451 1.00 0.37 N ATOM 717 CA ALA A 49 2.564 2.457 4.161 1.00 0.38 C ATOM 718 C ALA A 49 3.419 2.336 5.428 1.00 0.43 C ATOM 719 O ALA A 49 4.437 1.648 5.423 1.00 0.45 O ATOM 720 CB ALA A 49 2.707 3.845 3.551 1.00 0.36 C ATOM 0 H ALA A 49 0.537 2.947 4.242 1.00 0.37 H new ATOM 0 HA ALA A 49 2.920 1.721 3.440 1.00 0.38 H new ATOM 0 HB1 ALA A 49 3.758 4.043 3.339 1.00 0.36 H new ATOM 0 HB2 ALA A 49 2.134 3.896 2.625 1.00 0.36 H new ATOM 0 HB3 ALA A 49 2.332 4.591 4.252 1.00 0.36 H new ATOM 726 N ALA A 50 2.956 2.959 6.518 1.00 0.47 N ATOM 727 CA ALA A 50 3.660 2.948 7.809 1.00 0.57 C ATOM 728 C ALA A 50 3.894 1.522 8.319 1.00 0.62 C ATOM 729 O ALA A 50 4.951 1.214 8.898 1.00 0.68 O ATOM 730 CB ALA A 50 2.890 3.759 8.844 1.00 0.65 C ATOM 0 H ALA A 50 2.083 3.486 6.532 1.00 0.47 H new ATOM 0 HA ALA A 50 4.636 3.407 7.652 1.00 0.57 H new ATOM 0 HB1 ALA A 50 3.426 3.740 9.793 1.00 0.65 H new ATOM 0 HB2 ALA A 50 2.795 4.789 8.502 1.00 0.65 H new ATOM 0 HB3 ALA A 50 1.898 3.329 8.979 1.00 0.65 H new ATOM 736 N ARG A 51 2.902 0.656 8.106 1.00 0.65 N ATOM 737 CA ARG A 51 3.002 -0.755 8.474 1.00 0.76 C ATOM 738 C ARG A 51 4.171 -1.400 7.747 1.00 0.64 C ATOM 739 O ARG A 51 4.973 -2.103 8.338 1.00 0.62 O ATOM 740 CB ARG A 51 1.705 -1.520 8.121 1.00 0.95 C ATOM 741 CG ARG A 51 0.468 -1.119 8.918 1.00 1.23 C ATOM 742 CD ARG A 51 0.614 -1.475 10.382 1.00 0.90 C ATOM 743 NE ARG A 51 -0.570 -1.096 11.178 1.00 1.76 N ATOM 744 CZ ARG A 51 -0.555 -0.852 12.506 1.00 2.17 C ATOM 745 NH1 ARG A 51 0.551 -1.069 13.211 1.00 2.08 N ATOM 746 NH2 ARG A 51 -1.664 -0.462 13.128 1.00 3.21 N ATOM 0 H ARG A 51 2.013 0.912 7.676 1.00 0.65 H new ATOM 0 HA ARG A 51 3.157 -0.807 9.552 1.00 0.76 H new ATOM 0 HB2 ARG A 51 1.496 -1.375 7.061 1.00 0.95 H new ATOM 0 HB3 ARG A 51 1.881 -2.586 8.268 1.00 0.95 H new ATOM 0 HG2 ARG A 51 0.301 -0.047 8.818 1.00 1.23 H new ATOM 0 HG3 ARG A 51 -0.409 -1.618 8.506 1.00 1.23 H new ATOM 0 HD2 ARG A 51 0.783 -2.548 10.476 1.00 0.90 H new ATOM 0 HD3 ARG A 51 1.495 -0.977 10.787 1.00 0.90 H new ATOM 0 HE ARG A 51 -1.462 -1.013 10.691 1.00 1.76 H new ATOM 0 HH11 ARG A 51 1.390 -1.420 12.749 1.00 2.08 H new ATOM 0 HH12 ARG A 51 0.561 -0.884 14.214 1.00 2.08 H new ATOM 0 HH21 ARG A 51 -2.530 -0.346 12.602 1.00 3.21 H new ATOM 0 HH22 ARG A 51 -1.648 -0.279 14.131 1.00 3.21 H new ATOM 760 N LEU A 52 4.287 -1.105 6.477 1.00 0.60 N ATOM 761 CA LEU A 52 5.306 -1.704 5.647 1.00 0.55 C ATOM 762 C LEU A 52 6.687 -1.086 5.863 1.00 0.46 C ATOM 763 O LEU A 52 7.688 -1.778 5.743 1.00 0.45 O ATOM 764 CB LEU A 52 4.891 -1.674 4.178 1.00 0.61 C ATOM 765 CG LEU A 52 3.608 -2.449 3.860 1.00 0.76 C ATOM 766 CD1 LEU A 52 3.252 -2.331 2.397 1.00 0.87 C ATOM 767 CD2 LEU A 52 3.750 -3.914 4.258 1.00 0.93 C ATOM 0 H LEU A 52 3.681 -0.446 5.989 1.00 0.60 H new ATOM 0 HA LEU A 52 5.398 -2.746 5.953 1.00 0.55 H new ATOM 0 HB2 LEU A 52 4.757 -0.636 3.873 1.00 0.61 H new ATOM 0 HB3 LEU A 52 5.704 -2.081 3.576 1.00 0.61 H new ATOM 0 HG LEU A 52 2.798 -2.010 4.443 1.00 0.76 H new ATOM 0 HD11 LEU A 52 2.338 -2.890 2.199 1.00 0.87 H new ATOM 0 HD12 LEU A 52 3.098 -1.282 2.143 1.00 0.87 H new ATOM 0 HD13 LEU A 52 4.063 -2.735 1.791 1.00 0.87 H new ATOM 0 HD21 LEU A 52 2.828 -4.446 4.024 1.00 0.93 H new ATOM 0 HD22 LEU A 52 4.577 -4.362 3.708 1.00 0.93 H new ATOM 0 HD23 LEU A 52 3.947 -3.983 5.328 1.00 0.93 H new ATOM 779 N GLU A 53 6.740 0.197 6.196 1.00 0.45 N ATOM 780 CA GLU A 53 8.019 0.876 6.471 1.00 0.44 C ATOM 781 C GLU A 53 8.758 0.192 7.600 1.00 0.46 C ATOM 782 O GLU A 53 9.890 -0.251 7.435 1.00 0.50 O ATOM 783 CB GLU A 53 7.807 2.319 6.888 1.00 0.52 C ATOM 784 CG GLU A 53 7.139 3.203 5.884 1.00 0.44 C ATOM 785 CD GLU A 53 7.073 4.604 6.396 1.00 0.45 C ATOM 786 OE1 GLU A 53 6.142 4.934 7.154 1.00 0.57 O ATOM 787 OE2 GLU A 53 7.971 5.390 6.080 1.00 0.45 O ATOM 0 H GLU A 53 5.919 0.796 6.285 1.00 0.45 H new ATOM 0 HA GLU A 53 8.594 0.833 5.546 1.00 0.44 H new ATOM 0 HB2 GLU A 53 7.213 2.328 7.802 1.00 0.52 H new ATOM 0 HB3 GLU A 53 8.777 2.751 7.134 1.00 0.52 H new ATOM 0 HG2 GLU A 53 7.688 3.177 4.943 1.00 0.44 H new ATOM 0 HG3 GLU A 53 6.134 2.836 5.677 1.00 0.44 H new ATOM 794 N SER A 54 8.081 0.067 8.718 1.00 0.49 N ATOM 795 CA SER A 54 8.647 -0.488 9.931 1.00 0.56 C ATOM 796 C SER A 54 8.918 -1.997 9.762 1.00 0.55 C ATOM 797 O SER A 54 9.796 -2.582 10.419 1.00 0.67 O ATOM 798 CB SER A 54 7.663 -0.216 11.089 1.00 0.67 C ATOM 799 OG SER A 54 8.199 -0.550 12.360 1.00 1.36 O ATOM 0 H SER A 54 7.106 0.352 8.814 1.00 0.49 H new ATOM 0 HA SER A 54 9.605 -0.017 10.152 1.00 0.56 H new ATOM 0 HB2 SER A 54 7.385 0.838 11.083 1.00 0.67 H new ATOM 0 HB3 SER A 54 6.749 -0.787 10.924 1.00 0.67 H new ATOM 0 HG SER A 54 7.536 -0.357 13.056 1.00 1.36 H new ATOM 805 N ARG A 55 8.202 -2.600 8.848 1.00 0.52 N ATOM 806 CA ARG A 55 8.293 -4.022 8.604 1.00 0.57 C ATOM 807 C ARG A 55 9.399 -4.361 7.583 1.00 0.54 C ATOM 808 O ARG A 55 9.934 -5.465 7.579 1.00 0.65 O ATOM 809 CB ARG A 55 6.932 -4.507 8.117 1.00 0.67 C ATOM 810 CG ARG A 55 6.806 -5.988 7.866 1.00 0.77 C ATOM 811 CD ARG A 55 5.392 -6.320 7.452 1.00 0.96 C ATOM 812 NE ARG A 55 5.227 -7.732 7.122 1.00 1.60 N ATOM 813 CZ ARG A 55 4.754 -8.168 5.961 1.00 2.10 C ATOM 814 NH1 ARG A 55 4.260 -7.301 5.089 1.00 1.89 N ATOM 815 NH2 ARG A 55 4.726 -9.463 5.687 1.00 3.10 N ATOM 0 H ARG A 55 7.534 -2.118 8.247 1.00 0.52 H new ATOM 0 HA ARG A 55 8.565 -4.530 9.529 1.00 0.57 H new ATOM 0 HB2 ARG A 55 6.182 -4.219 8.853 1.00 0.67 H new ATOM 0 HB3 ARG A 55 6.691 -3.981 7.193 1.00 0.67 H new ATOM 0 HG2 ARG A 55 7.504 -6.294 7.087 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.070 -6.542 8.767 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.708 -6.056 8.259 1.00 0.96 H new ATOM 0 HD3 ARG A 55 5.117 -5.713 6.589 1.00 0.96 H new ATOM 0 HE ARG A 55 5.490 -8.424 7.824 1.00 1.60 H new ATOM 0 HH11 ARG A 55 4.245 -6.306 5.312 1.00 1.89 H new ATOM 0 HH12 ARG A 55 3.895 -7.629 4.195 1.00 1.89 H new ATOM 0 HH21 ARG A 55 5.070 -10.137 6.371 1.00 3.10 H new ATOM 0 HH22 ARG A 55 4.360 -9.787 4.792 1.00 3.10 H new ATOM 829 N TYR A 56 9.728 -3.429 6.720 1.00 0.50 N ATOM 830 CA TYR A 56 10.719 -3.693 5.685 1.00 0.57 C ATOM 831 C TYR A 56 11.966 -2.831 5.780 1.00 0.59 C ATOM 832 O TYR A 56 12.948 -3.095 5.098 1.00 0.73 O ATOM 833 CB TYR A 56 10.097 -3.606 4.297 1.00 0.65 C ATOM 834 CG TYR A 56 9.181 -4.761 3.974 1.00 0.72 C ATOM 835 CD1 TYR A 56 9.668 -5.940 3.431 1.00 0.89 C ATOM 836 CD2 TYR A 56 7.818 -4.658 4.202 1.00 0.76 C ATOM 837 CE1 TYR A 56 8.820 -6.982 3.127 1.00 1.03 C ATOM 838 CE2 TYR A 56 6.967 -5.692 3.898 1.00 0.91 C ATOM 839 CZ TYR A 56 7.530 -6.909 3.402 1.00 1.03 C ATOM 840 OH TYR A 56 6.614 -7.869 3.042 1.00 1.21 O ATOM 0 H TYR A 56 9.333 -2.489 6.707 1.00 0.50 H new ATOM 0 HA TYR A 56 11.058 -4.714 5.860 1.00 0.57 H new ATOM 0 HB2 TYR A 56 9.536 -2.675 4.217 1.00 0.65 H new ATOM 0 HB3 TYR A 56 10.893 -3.565 3.553 1.00 0.65 H new ATOM 0 HD1 TYR A 56 10.727 -6.043 3.244 1.00 0.89 H new ATOM 0 HD2 TYR A 56 7.418 -3.749 4.626 1.00 0.76 H new ATOM 0 HE1 TYR A 56 9.215 -7.871 2.657 1.00 1.03 H new ATOM 0 HE2 TYR A 56 5.900 -5.589 4.030 1.00 0.91 H new ATOM 0 HH TYR A 56 5.811 -7.437 2.682 1.00 1.21 H new ATOM 850 N GLY A 57 11.935 -1.824 6.609 1.00 0.52 N ATOM 851 CA GLY A 57 13.083 -0.957 6.756 1.00 0.56 C ATOM 852 C GLY A 57 13.149 0.060 5.650 1.00 0.54 C ATOM 853 O GLY A 57 14.236 0.394 5.149 1.00 0.68 O ATOM 0 H GLY A 57 11.135 -1.580 7.192 1.00 0.52 H new ATOM 0 HA2 GLY A 57 13.035 -0.447 7.718 1.00 0.56 H new ATOM 0 HA3 GLY A 57 13.994 -1.555 6.757 1.00 0.56 H new ATOM 857 N VAL A 58 11.994 0.560 5.271 1.00 0.47 N ATOM 858 CA VAL A 58 11.878 1.521 4.192 1.00 0.44 C ATOM 859 C VAL A 58 11.194 2.773 4.700 1.00 0.42 C ATOM 860 O VAL A 58 10.780 2.810 5.856 1.00 0.44 O ATOM 861 CB VAL A 58 11.118 0.961 2.946 1.00 0.46 C ATOM 862 CG1 VAL A 58 11.788 -0.285 2.451 1.00 0.55 C ATOM 863 CG2 VAL A 58 9.660 0.651 3.262 1.00 0.43 C ATOM 0 H VAL A 58 11.104 0.312 5.703 1.00 0.47 H new ATOM 0 HA VAL A 58 12.890 1.750 3.858 1.00 0.44 H new ATOM 0 HB VAL A 58 11.145 1.733 2.177 1.00 0.46 H new ATOM 0 HG11 VAL A 58 11.251 -0.667 1.583 1.00 0.55 H new ATOM 0 HG12 VAL A 58 12.816 -0.058 2.170 1.00 0.55 H new ATOM 0 HG13 VAL A 58 11.785 -1.038 3.239 1.00 0.55 H new ATOM 0 HG21 VAL A 58 9.168 0.264 2.369 1.00 0.43 H new ATOM 0 HG22 VAL A 58 9.610 -0.095 4.055 1.00 0.43 H new ATOM 0 HG23 VAL A 58 9.157 1.561 3.588 1.00 0.43 H new ATOM 873 N SER A 59 11.075 3.778 3.865 1.00 0.43 N ATOM 874 CA SER A 59 10.421 4.995 4.244 1.00 0.48 C ATOM 875 C SER A 59 9.590 5.534 3.091 1.00 0.43 C ATOM 876 O SER A 59 10.053 5.576 1.937 1.00 0.49 O ATOM 877 CB SER A 59 11.442 6.027 4.716 1.00 0.65 C ATOM 878 OG SER A 59 12.135 5.560 5.874 1.00 1.28 O ATOM 0 H SER A 59 11.429 3.770 2.909 1.00 0.43 H new ATOM 0 HA SER A 59 9.748 4.784 5.075 1.00 0.48 H new ATOM 0 HB2 SER A 59 12.155 6.232 3.917 1.00 0.65 H new ATOM 0 HB3 SER A 59 10.938 6.967 4.942 1.00 0.65 H new ATOM 0 HG SER A 59 12.786 6.235 6.160 1.00 1.28 H new ATOM 884 N ILE A 60 8.367 5.878 3.396 1.00 0.39 N ATOM 885 CA ILE A 60 7.435 6.448 2.449 1.00 0.38 C ATOM 886 C ILE A 60 6.864 7.711 3.070 1.00 0.41 C ATOM 887 O ILE A 60 6.322 7.655 4.177 1.00 0.45 O ATOM 888 CB ILE A 60 6.231 5.476 2.079 1.00 0.37 C ATOM 889 CG1 ILE A 60 6.671 4.218 1.304 1.00 0.45 C ATOM 890 CG2 ILE A 60 5.140 6.192 1.305 1.00 0.38 C ATOM 891 CD1 ILE A 60 7.305 3.146 2.142 1.00 0.82 C ATOM 0 H ILE A 60 7.978 5.768 4.332 1.00 0.39 H new ATOM 0 HA ILE A 60 7.978 6.641 1.524 1.00 0.38 H new ATOM 0 HB ILE A 60 5.833 5.148 3.039 1.00 0.37 H new ATOM 0 HG12 ILE A 60 5.801 3.797 0.800 1.00 0.45 H new ATOM 0 HG13 ILE A 60 7.376 4.516 0.528 1.00 0.45 H new ATOM 0 HG21 ILE A 60 4.338 5.491 1.073 1.00 0.38 H new ATOM 0 HG22 ILE A 60 4.744 7.010 1.907 1.00 0.38 H new ATOM 0 HG23 ILE A 60 5.553 6.590 0.378 1.00 0.38 H new ATOM 0 HD11 ILE A 60 7.580 2.303 1.508 1.00 0.82 H new ATOM 0 HD12 ILE A 60 8.198 3.543 2.626 1.00 0.82 H new ATOM 0 HD13 ILE A 60 6.598 2.813 2.902 1.00 0.82 H new ATOM 903 N PRO A 61 7.025 8.870 2.415 1.00 0.48 N ATOM 904 CA PRO A 61 6.458 10.126 2.906 1.00 0.55 C ATOM 905 C PRO A 61 4.924 10.049 2.965 1.00 0.49 C ATOM 906 O PRO A 61 4.279 9.603 2.006 1.00 0.43 O ATOM 907 CB PRO A 61 6.916 11.162 1.871 1.00 0.66 C ATOM 908 CG PRO A 61 8.070 10.525 1.174 1.00 0.70 C ATOM 909 CD PRO A 61 7.776 9.058 1.163 1.00 0.58 C ATOM 0 HA PRO A 61 6.783 10.369 3.918 1.00 0.55 H new ATOM 0 HB2 PRO A 61 6.115 11.402 1.171 1.00 0.66 H new ATOM 0 HB3 PRO A 61 7.211 12.096 2.350 1.00 0.66 H new ATOM 0 HG2 PRO A 61 8.176 10.911 0.160 1.00 0.70 H new ATOM 0 HG3 PRO A 61 9.005 10.733 1.694 1.00 0.70 H new ATOM 0 HD2 PRO A 61 7.189 8.769 0.291 1.00 0.58 H new ATOM 0 HD3 PRO A 61 8.689 8.462 1.145 1.00 0.58 H new ATOM 917 N ASP A 62 4.365 10.489 4.082 1.00 0.57 N ATOM 918 CA ASP A 62 2.917 10.409 4.369 1.00 0.56 C ATOM 919 C ASP A 62 2.039 11.021 3.277 1.00 0.48 C ATOM 920 O ASP A 62 0.988 10.469 2.947 1.00 0.46 O ATOM 921 CB ASP A 62 2.574 10.999 5.762 1.00 0.71 C ATOM 922 CG ASP A 62 2.922 12.471 5.938 1.00 1.23 C ATOM 923 OD1 ASP A 62 4.113 12.805 6.085 1.00 1.52 O ATOM 924 OD2 ASP A 62 1.998 13.330 5.872 1.00 1.98 O ATOM 0 H ASP A 62 4.902 10.921 4.834 1.00 0.57 H new ATOM 0 HA ASP A 62 2.682 9.345 4.382 1.00 0.56 H new ATOM 0 HB2 ASP A 62 1.507 10.869 5.943 1.00 0.71 H new ATOM 0 HB3 ASP A 62 3.099 10.423 6.524 1.00 0.71 H new ATOM 929 N ASP A 63 2.502 12.112 2.677 1.00 0.52 N ATOM 930 CA ASP A 63 1.770 12.817 1.600 1.00 0.56 C ATOM 931 C ASP A 63 1.496 11.875 0.435 1.00 0.50 C ATOM 932 O ASP A 63 0.404 11.871 -0.160 1.00 0.60 O ATOM 933 CB ASP A 63 2.619 13.957 1.033 1.00 0.71 C ATOM 934 CG ASP A 63 3.148 14.915 2.053 1.00 1.56 C ATOM 935 OD1 ASP A 63 4.170 14.591 2.698 1.00 2.20 O ATOM 936 OD2 ASP A 63 2.600 16.016 2.188 1.00 2.31 O ATOM 0 H ASP A 63 3.395 12.543 2.915 1.00 0.52 H new ATOM 0 HA ASP A 63 0.843 13.190 2.035 1.00 0.56 H new ATOM 0 HB2 ASP A 63 3.460 13.528 0.488 1.00 0.71 H new ATOM 0 HB3 ASP A 63 2.020 14.512 0.310 1.00 0.71 H new ATOM 941 N VAL A 64 2.485 11.042 0.158 1.00 0.46 N ATOM 942 CA VAL A 64 2.516 10.161 -1.003 1.00 0.48 C ATOM 943 C VAL A 64 1.420 9.101 -0.962 1.00 0.42 C ATOM 944 O VAL A 64 0.975 8.611 -2.006 1.00 0.46 O ATOM 945 CB VAL A 64 3.897 9.477 -1.129 1.00 0.54 C ATOM 946 CG1 VAL A 64 3.995 8.606 -2.380 1.00 0.64 C ATOM 947 CG2 VAL A 64 5.003 10.512 -1.130 1.00 0.63 C ATOM 0 H VAL A 64 3.312 10.956 0.749 1.00 0.46 H new ATOM 0 HA VAL A 64 2.336 10.788 -1.876 1.00 0.48 H new ATOM 0 HB VAL A 64 4.013 8.825 -0.263 1.00 0.54 H new ATOM 0 HG11 VAL A 64 4.982 8.146 -2.427 1.00 0.64 H new ATOM 0 HG12 VAL A 64 3.233 7.827 -2.342 1.00 0.64 H new ATOM 0 HG13 VAL A 64 3.840 9.222 -3.266 1.00 0.64 H new ATOM 0 HG21 VAL A 64 5.968 10.013 -1.219 1.00 0.63 H new ATOM 0 HG22 VAL A 64 4.866 11.190 -1.972 1.00 0.63 H new ATOM 0 HG23 VAL A 64 4.972 11.078 -0.199 1.00 0.63 H new ATOM 957 N ALA A 65 0.918 8.807 0.212 1.00 0.45 N ATOM 958 CA ALA A 65 -0.117 7.805 0.329 1.00 0.46 C ATOM 959 C ALA A 65 -1.439 8.335 -0.215 1.00 0.44 C ATOM 960 O ALA A 65 -2.362 7.587 -0.459 1.00 0.51 O ATOM 961 CB ALA A 65 -0.263 7.342 1.745 1.00 0.56 C ATOM 0 H ALA A 65 1.203 9.240 1.091 1.00 0.45 H new ATOM 0 HA ALA A 65 0.176 6.943 -0.270 1.00 0.46 H new ATOM 0 HB1 ALA A 65 -1.049 6.589 1.802 1.00 0.56 H new ATOM 0 HB2 ALA A 65 0.678 6.911 2.086 1.00 0.56 H new ATOM 0 HB3 ALA A 65 -0.525 8.189 2.379 1.00 0.56 H new ATOM 967 N GLY A 66 -1.504 9.643 -0.411 1.00 0.48 N ATOM 968 CA GLY A 66 -2.664 10.239 -1.014 1.00 0.57 C ATOM 969 C GLY A 66 -2.408 10.548 -2.476 1.00 0.58 C ATOM 970 O GLY A 66 -3.248 11.122 -3.168 1.00 0.91 O ATOM 0 H GLY A 66 -0.766 10.301 -0.159 1.00 0.48 H new ATOM 0 HA2 GLY A 66 -3.515 9.564 -0.923 1.00 0.57 H new ATOM 0 HA3 GLY A 66 -2.926 11.155 -0.484 1.00 0.57 H new ATOM 974 N ARG A 67 -1.240 10.164 -2.932 1.00 0.43 N ATOM 975 CA ARG A 67 -0.790 10.412 -4.288 1.00 0.48 C ATOM 976 C ARG A 67 -0.958 9.145 -5.145 1.00 0.45 C ATOM 977 O ARG A 67 -0.930 9.199 -6.386 1.00 0.63 O ATOM 978 CB ARG A 67 0.694 10.858 -4.237 1.00 0.59 C ATOM 979 CG ARG A 67 1.391 11.006 -5.578 1.00 1.35 C ATOM 980 CD ARG A 67 2.860 11.345 -5.402 1.00 1.46 C ATOM 981 NE ARG A 67 3.586 11.244 -6.668 1.00 2.35 N ATOM 982 CZ ARG A 67 4.919 11.190 -6.811 1.00 2.83 C ATOM 983 NH1 ARG A 67 5.727 11.478 -5.792 1.00 2.42 N ATOM 984 NH2 ARG A 67 5.434 10.924 -8.001 1.00 3.92 N ATOM 0 H ARG A 67 -0.560 9.660 -2.363 1.00 0.43 H new ATOM 0 HA ARG A 67 -1.389 11.199 -4.746 1.00 0.48 H new ATOM 0 HB2 ARG A 67 0.748 11.813 -3.715 1.00 0.59 H new ATOM 0 HB3 ARG A 67 1.250 10.136 -3.639 1.00 0.59 H new ATOM 0 HG2 ARG A 67 1.295 10.080 -6.144 1.00 1.35 H new ATOM 0 HG3 ARG A 67 0.902 11.788 -6.160 1.00 1.35 H new ATOM 0 HD2 ARG A 67 2.957 12.355 -5.005 1.00 1.46 H new ATOM 0 HD3 ARG A 67 3.306 10.671 -4.670 1.00 1.46 H new ATOM 0 HE ARG A 67 3.027 11.212 -7.521 1.00 2.35 H new ATOM 0 HH11 ARG A 67 5.334 11.744 -4.889 1.00 2.42 H new ATOM 0 HH12 ARG A 67 6.739 11.433 -5.915 1.00 2.42 H new ATOM 0 HH21 ARG A 67 4.819 10.762 -8.798 1.00 3.92 H new ATOM 0 HH22 ARG A 67 6.446 10.881 -8.121 1.00 3.92 H new ATOM 998 N VAL A 68 -1.155 8.022 -4.487 1.00 0.39 N ATOM 999 CA VAL A 68 -1.267 6.744 -5.164 1.00 0.38 C ATOM 1000 C VAL A 68 -2.704 6.487 -5.645 1.00 0.43 C ATOM 1001 O VAL A 68 -3.619 6.311 -4.858 1.00 0.48 O ATOM 1002 CB VAL A 68 -0.730 5.573 -4.275 1.00 0.34 C ATOM 1003 CG1 VAL A 68 0.773 5.715 -4.085 1.00 0.37 C ATOM 1004 CG2 VAL A 68 -1.412 5.527 -2.910 1.00 0.36 C ATOM 0 H VAL A 68 -1.242 7.967 -3.472 1.00 0.39 H new ATOM 0 HA VAL A 68 -0.635 6.786 -6.051 1.00 0.38 H new ATOM 0 HB VAL A 68 -0.957 4.641 -4.793 1.00 0.34 H new ATOM 0 HG11 VAL A 68 1.140 4.897 -3.465 1.00 0.37 H new ATOM 0 HG12 VAL A 68 1.267 5.685 -5.056 1.00 0.37 H new ATOM 0 HG13 VAL A 68 0.990 6.665 -3.597 1.00 0.37 H new ATOM 0 HG21 VAL A 68 -1.007 4.699 -2.329 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.232 6.463 -2.382 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.485 5.386 -3.044 1.00 0.36 H new ATOM 1014 N ASP A 69 -2.888 6.568 -6.950 1.00 0.51 N ATOM 1015 CA ASP A 69 -4.196 6.342 -7.577 1.00 0.65 C ATOM 1016 C ASP A 69 -4.587 4.876 -7.506 1.00 0.52 C ATOM 1017 O ASP A 69 -5.762 4.534 -7.327 1.00 0.58 O ATOM 1018 CB ASP A 69 -4.193 6.776 -9.055 1.00 0.86 C ATOM 1019 CG ASP A 69 -4.127 8.277 -9.281 1.00 1.39 C ATOM 1020 OD1 ASP A 69 -3.015 8.814 -9.406 1.00 2.20 O ATOM 1021 OD2 ASP A 69 -5.192 8.929 -9.397 1.00 1.44 O ATOM 0 H ASP A 69 -2.144 6.791 -7.611 1.00 0.51 H new ATOM 0 HA ASP A 69 -4.918 6.944 -7.025 1.00 0.65 H new ATOM 0 HB2 ASP A 69 -3.343 6.311 -9.553 1.00 0.86 H new ATOM 0 HB3 ASP A 69 -5.093 6.390 -9.534 1.00 0.86 H new ATOM 1026 N THR A 70 -3.603 4.018 -7.656 1.00 0.42 N ATOM 1027 CA THR A 70 -3.815 2.597 -7.650 1.00 0.34 C ATOM 1028 C THR A 70 -2.878 1.943 -6.643 1.00 0.30 C ATOM 1029 O THR A 70 -1.819 2.516 -6.299 1.00 0.33 O ATOM 1030 CB THR A 70 -3.518 1.998 -9.047 1.00 0.40 C ATOM 1031 OG1 THR A 70 -2.173 2.354 -9.448 1.00 0.51 O ATOM 1032 CG2 THR A 70 -4.524 2.481 -10.090 1.00 0.48 C ATOM 0 H THR A 70 -2.629 4.293 -7.786 1.00 0.42 H new ATOM 0 HA THR A 70 -4.855 2.409 -7.383 1.00 0.34 H new ATOM 0 HB THR A 70 -3.608 0.914 -8.981 1.00 0.40 H new ATOM 0 HG1 THR A 70 -1.984 1.974 -10.331 1.00 0.51 H new ATOM 0 HG21 THR A 70 -4.285 2.040 -11.058 1.00 0.48 H new ATOM 0 HG22 THR A 70 -5.529 2.180 -9.793 1.00 0.48 H new ATOM 0 HG23 THR A 70 -4.478 3.567 -10.164 1.00 0.48 H new ATOM 1040 N PRO A 71 -3.232 0.741 -6.136 1.00 0.31 N ATOM 1041 CA PRO A 71 -2.364 -0.032 -5.245 1.00 0.33 C ATOM 1042 C PRO A 71 -1.085 -0.436 -5.955 1.00 0.32 C ATOM 1043 O PRO A 71 -0.082 -0.726 -5.323 1.00 0.34 O ATOM 1044 CB PRO A 71 -3.200 -1.270 -4.900 1.00 0.38 C ATOM 1045 CG PRO A 71 -4.596 -0.845 -5.147 1.00 0.40 C ATOM 1046 CD PRO A 71 -4.525 0.068 -6.332 1.00 0.35 C ATOM 0 HA PRO A 71 -2.059 0.533 -4.364 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -2.927 -2.122 -5.523 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -3.053 -1.573 -3.863 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -5.239 -1.702 -5.348 1.00 0.40 H new ATOM 0 HG3 PRO A 71 -5.011 -0.332 -4.279 1.00 0.40 H new ATOM 0 HD2 PRO A 71 -4.558 -0.483 -7.272 1.00 0.35 H new ATOM 0 HD3 PRO A 71 -5.353 0.776 -6.349 1.00 0.35 H new ATOM 1054 N ARG A 72 -1.135 -0.435 -7.284 1.00 0.34 N ATOM 1055 CA ARG A 72 0.017 -0.726 -8.105 1.00 0.39 C ATOM 1056 C ARG A 72 1.087 0.317 -7.875 1.00 0.32 C ATOM 1057 O ARG A 72 2.234 -0.018 -7.636 1.00 0.31 O ATOM 1058 CB ARG A 72 -0.360 -0.748 -9.579 1.00 0.52 C ATOM 1059 CG ARG A 72 0.790 -1.119 -10.493 1.00 0.93 C ATOM 1060 CD ARG A 72 0.377 -1.062 -11.940 1.00 1.15 C ATOM 1061 NE ARG A 72 -0.722 -1.988 -12.257 1.00 1.31 N ATOM 1062 CZ ARG A 72 -1.392 -1.986 -13.419 1.00 1.78 C ATOM 1063 NH1 ARG A 72 -1.026 -1.154 -14.386 1.00 2.53 N ATOM 1064 NH2 ARG A 72 -2.393 -2.837 -13.616 1.00 1.99 N ATOM 0 H ARG A 72 -1.982 -0.231 -7.815 1.00 0.34 H new ATOM 0 HA ARG A 72 0.396 -1.709 -7.827 1.00 0.39 H new ATOM 0 HB2 ARG A 72 -1.174 -1.457 -9.727 1.00 0.52 H new ATOM 0 HB3 ARG A 72 -0.737 0.234 -9.864 1.00 0.52 H new ATOM 0 HG2 ARG A 72 1.626 -0.440 -10.324 1.00 0.93 H new ATOM 0 HG3 ARG A 72 1.141 -2.122 -10.252 1.00 0.93 H new ATOM 0 HD2 ARG A 72 0.071 -0.045 -12.186 1.00 1.15 H new ATOM 0 HD3 ARG A 72 1.236 -1.297 -12.568 1.00 1.15 H new ATOM 0 HE ARG A 72 -0.990 -2.673 -11.550 1.00 1.31 H new ATOM 0 HH11 ARG A 72 -0.239 -0.521 -14.243 1.00 2.53 H new ATOM 0 HH12 ARG A 72 -1.532 -1.148 -15.272 1.00 2.53 H new ATOM 0 HH21 ARG A 72 -2.655 -3.495 -12.882 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -2.900 -2.832 -14.501 1.00 1.99 H new ATOM 1078 N GLU A 73 0.682 1.583 -7.908 1.00 0.31 N ATOM 1079 CA GLU A 73 1.592 2.708 -7.704 1.00 0.32 C ATOM 1080 C GLU A 73 2.202 2.621 -6.298 1.00 0.26 C ATOM 1081 O GLU A 73 3.395 2.864 -6.101 1.00 0.30 O ATOM 1082 CB GLU A 73 0.812 4.024 -7.862 1.00 0.45 C ATOM 1083 CG GLU A 73 1.658 5.292 -7.834 1.00 0.53 C ATOM 1084 CD GLU A 73 2.612 5.395 -9.006 1.00 1.09 C ATOM 1085 OE1 GLU A 73 2.147 5.683 -10.130 1.00 1.51 O ATOM 1086 OE2 GLU A 73 3.835 5.194 -8.830 1.00 1.86 O ATOM 0 H GLU A 73 -0.285 1.859 -8.077 1.00 0.31 H new ATOM 0 HA GLU A 73 2.394 2.676 -8.441 1.00 0.32 H new ATOM 0 HB2 GLU A 73 0.266 3.992 -8.805 1.00 0.45 H new ATOM 0 HB3 GLU A 73 0.070 4.085 -7.066 1.00 0.45 H new ATOM 0 HG2 GLU A 73 1.000 6.161 -7.831 1.00 0.53 H new ATOM 0 HG3 GLU A 73 2.228 5.321 -6.905 1.00 0.53 H new ATOM 1093 N LEU A 74 1.372 2.234 -5.343 1.00 0.25 N ATOM 1094 CA LEU A 74 1.774 2.088 -3.949 1.00 0.26 C ATOM 1095 C LEU A 74 2.776 0.921 -3.810 1.00 0.24 C ATOM 1096 O LEU A 74 3.845 1.073 -3.206 1.00 0.27 O ATOM 1097 CB LEU A 74 0.489 1.894 -3.075 1.00 0.29 C ATOM 1098 CG LEU A 74 0.609 1.880 -1.522 1.00 0.33 C ATOM 1099 CD1 LEU A 74 1.225 0.595 -0.990 1.00 1.30 C ATOM 1100 CD2 LEU A 74 1.385 3.094 -1.024 1.00 1.14 C ATOM 0 H LEU A 74 0.391 2.010 -5.513 1.00 0.25 H new ATOM 0 HA LEU A 74 2.287 2.982 -3.596 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.209 2.688 -3.341 1.00 0.29 H new ATOM 0 HB3 LEU A 74 0.030 0.952 -3.375 1.00 0.29 H new ATOM 0 HG LEU A 74 -0.408 1.928 -1.133 1.00 0.33 H new ATOM 0 HD11 LEU A 74 1.283 0.642 0.097 1.00 1.30 H new ATOM 0 HD12 LEU A 74 0.607 -0.253 -1.284 1.00 1.30 H new ATOM 0 HD13 LEU A 74 2.227 0.474 -1.402 1.00 1.30 H new ATOM 0 HD21 LEU A 74 1.455 3.060 0.063 1.00 1.14 H new ATOM 0 HD22 LEU A 74 2.387 3.086 -1.452 1.00 1.14 H new ATOM 0 HD23 LEU A 74 0.869 4.005 -1.327 1.00 1.14 H new ATOM 1112 N LEU A 75 2.433 -0.219 -4.397 1.00 0.22 N ATOM 1113 CA LEU A 75 3.276 -1.410 -4.366 1.00 0.24 C ATOM 1114 C LEU A 75 4.610 -1.130 -5.033 1.00 0.23 C ATOM 1115 O LEU A 75 5.667 -1.420 -4.470 1.00 0.25 O ATOM 1116 CB LEU A 75 2.579 -2.576 -5.085 1.00 0.28 C ATOM 1117 CG LEU A 75 3.324 -3.916 -5.101 1.00 0.36 C ATOM 1118 CD1 LEU A 75 3.494 -4.459 -3.694 1.00 0.42 C ATOM 1119 CD2 LEU A 75 2.595 -4.922 -5.973 1.00 0.47 C ATOM 0 H LEU A 75 1.560 -0.345 -4.910 1.00 0.22 H new ATOM 0 HA LEU A 75 3.447 -1.681 -3.324 1.00 0.24 H new ATOM 0 HB2 LEU A 75 1.607 -2.732 -4.618 1.00 0.28 H new ATOM 0 HB3 LEU A 75 2.392 -2.278 -6.117 1.00 0.28 H new ATOM 0 HG LEU A 75 4.315 -3.746 -5.522 1.00 0.36 H new ATOM 0 HD11 LEU A 75 4.025 -5.410 -3.733 1.00 0.42 H new ATOM 0 HD12 LEU A 75 4.065 -3.748 -3.096 1.00 0.42 H new ATOM 0 HD13 LEU A 75 2.514 -4.609 -3.241 1.00 0.42 H new ATOM 0 HD21 LEU A 75 3.139 -5.866 -5.972 1.00 0.47 H new ATOM 0 HD22 LEU A 75 1.590 -5.082 -5.582 1.00 0.47 H new ATOM 0 HD23 LEU A 75 2.532 -4.541 -6.992 1.00 0.47 H new ATOM 1131 N ASP A 76 4.543 -0.535 -6.213 1.00 0.24 N ATOM 1132 CA ASP A 76 5.720 -0.192 -7.014 1.00 0.30 C ATOM 1133 C ASP A 76 6.636 0.742 -6.249 1.00 0.28 C ATOM 1134 O ASP A 76 7.859 0.569 -6.255 1.00 0.31 O ATOM 1135 CB ASP A 76 5.293 0.459 -8.329 1.00 0.40 C ATOM 1136 CG ASP A 76 6.458 0.813 -9.210 1.00 0.57 C ATOM 1137 OD1 ASP A 76 6.947 -0.054 -9.954 1.00 0.76 O ATOM 1138 OD2 ASP A 76 6.918 1.973 -9.166 1.00 0.64 O ATOM 0 H ASP A 76 3.661 -0.271 -6.652 1.00 0.24 H new ATOM 0 HA ASP A 76 6.264 -1.111 -7.232 1.00 0.30 H new ATOM 0 HB2 ASP A 76 4.630 -0.219 -8.866 1.00 0.40 H new ATOM 0 HB3 ASP A 76 4.720 1.361 -8.113 1.00 0.40 H new ATOM 1143 N LEU A 77 6.036 1.712 -5.580 1.00 0.27 N ATOM 1144 CA LEU A 77 6.747 2.669 -4.737 1.00 0.29 C ATOM 1145 C LEU A 77 7.567 1.936 -3.687 1.00 0.28 C ATOM 1146 O LEU A 77 8.790 2.099 -3.600 1.00 0.33 O ATOM 1147 CB LEU A 77 5.735 3.574 -4.029 1.00 0.32 C ATOM 1148 CG LEU A 77 6.292 4.567 -3.016 1.00 0.43 C ATOM 1149 CD1 LEU A 77 7.167 5.604 -3.690 1.00 0.96 C ATOM 1150 CD2 LEU A 77 5.163 5.218 -2.242 1.00 0.63 C ATOM 0 H LEU A 77 5.027 1.862 -5.605 1.00 0.27 H new ATOM 0 HA LEU A 77 7.410 3.265 -5.364 1.00 0.29 H new ATOM 0 HB2 LEU A 77 5.190 4.134 -4.789 1.00 0.32 H new ATOM 0 HB3 LEU A 77 5.010 2.939 -3.519 1.00 0.32 H new ATOM 0 HG LEU A 77 6.920 4.022 -2.311 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.550 6.299 -2.942 1.00 0.96 H new ATOM 0 HD12 LEU A 77 8.002 5.109 -4.186 1.00 0.96 H new ATOM 0 HD13 LEU A 77 6.580 6.152 -4.427 1.00 0.96 H new ATOM 0 HD21 LEU A 77 5.576 5.925 -1.522 1.00 0.63 H new ATOM 0 HD22 LEU A 77 4.505 5.746 -2.933 1.00 0.63 H new ATOM 0 HD23 LEU A 77 4.595 4.452 -1.714 1.00 0.63 H new ATOM 1162 N ILE A 78 6.893 1.101 -2.925 1.00 0.25 N ATOM 1163 CA ILE A 78 7.524 0.369 -1.859 1.00 0.28 C ATOM 1164 C ILE A 78 8.539 -0.627 -2.408 1.00 0.30 C ATOM 1165 O ILE A 78 9.604 -0.774 -1.853 1.00 0.34 O ATOM 1166 CB ILE A 78 6.478 -0.296 -0.929 1.00 0.34 C ATOM 1167 CG1 ILE A 78 5.580 0.808 -0.346 1.00 0.40 C ATOM 1168 CG2 ILE A 78 7.164 -1.088 0.196 1.00 0.40 C ATOM 1169 CD1 ILE A 78 4.492 0.322 0.573 1.00 0.51 C ATOM 0 H ILE A 78 5.896 0.914 -3.030 1.00 0.25 H new ATOM 0 HA ILE A 78 8.076 1.077 -1.241 1.00 0.28 H new ATOM 0 HB ILE A 78 5.877 -1.003 -1.501 1.00 0.34 H new ATOM 0 HG12 ILE A 78 6.206 1.515 0.198 1.00 0.40 H new ATOM 0 HG13 ILE A 78 5.122 1.356 -1.169 1.00 0.40 H new ATOM 0 HG21 ILE A 78 6.407 -1.544 0.834 1.00 0.40 H new ATOM 0 HG22 ILE A 78 7.791 -1.867 -0.238 1.00 0.40 H new ATOM 0 HG23 ILE A 78 7.781 -0.415 0.791 1.00 0.40 H new ATOM 0 HD11 ILE A 78 3.913 1.172 0.933 1.00 0.51 H new ATOM 0 HD12 ILE A 78 3.837 -0.360 0.032 1.00 0.51 H new ATOM 0 HD13 ILE A 78 4.937 -0.198 1.421 1.00 0.51 H new ATOM 1181 N ASN A 79 8.223 -1.258 -3.539 1.00 0.34 N ATOM 1182 CA ASN A 79 9.177 -2.169 -4.213 1.00 0.43 C ATOM 1183 C ASN A 79 10.446 -1.423 -4.603 1.00 0.46 C ATOM 1184 O ASN A 79 11.551 -1.936 -4.447 1.00 0.50 O ATOM 1185 CB ASN A 79 8.574 -2.852 -5.463 1.00 0.55 C ATOM 1186 CG ASN A 79 7.689 -4.072 -5.179 1.00 0.62 C ATOM 1187 OD1 ASN A 79 7.622 -4.986 -5.985 1.00 1.33 O ATOM 1188 ND2 ASN A 79 7.005 -4.100 -4.066 1.00 0.84 N ATOM 0 H ASN A 79 7.324 -1.163 -4.012 1.00 0.34 H new ATOM 0 HA ASN A 79 9.414 -2.953 -3.493 1.00 0.43 H new ATOM 0 HB2 ASN A 79 7.985 -2.116 -6.011 1.00 0.55 H new ATOM 0 HB3 ASN A 79 9.389 -3.159 -6.118 1.00 0.55 H new ATOM 0 HD21 ASN A 79 6.402 -4.896 -3.858 1.00 0.84 H new ATOM 0 HD22 ASN A 79 7.075 -3.326 -3.405 1.00 0.84 H new ATOM 1195 N GLY A 80 10.276 -0.199 -5.078 1.00 0.47 N ATOM 1196 CA GLY A 80 11.402 0.638 -5.442 1.00 0.56 C ATOM 1197 C GLY A 80 12.240 0.993 -4.229 1.00 0.55 C ATOM 1198 O GLY A 80 13.475 0.986 -4.287 1.00 0.63 O ATOM 0 H GLY A 80 9.364 0.236 -5.220 1.00 0.47 H new ATOM 0 HA2 GLY A 80 12.021 0.120 -6.175 1.00 0.56 H new ATOM 0 HA3 GLY A 80 11.041 1.550 -5.917 1.00 0.56 H new ATOM 1202 N ALA A 81 11.573 1.290 -3.129 1.00 0.49 N ATOM 1203 CA ALA A 81 12.251 1.588 -1.879 1.00 0.53 C ATOM 1204 C ALA A 81 12.971 0.342 -1.360 1.00 0.50 C ATOM 1205 O ALA A 81 14.098 0.421 -0.896 1.00 0.61 O ATOM 1206 CB ALA A 81 11.261 2.111 -0.846 1.00 0.53 C ATOM 0 H ALA A 81 10.555 1.332 -3.075 1.00 0.49 H new ATOM 0 HA ALA A 81 12.993 2.365 -2.059 1.00 0.53 H new ATOM 0 HB1 ALA A 81 11.786 2.329 0.084 1.00 0.53 H new ATOM 0 HB2 ALA A 81 10.792 3.021 -1.220 1.00 0.53 H new ATOM 0 HB3 ALA A 81 10.495 1.358 -0.662 1.00 0.53 H new ATOM 1212 N LEU A 82 12.314 -0.804 -1.492 1.00 0.42 N ATOM 1213 CA LEU A 82 12.846 -2.109 -1.076 1.00 0.44 C ATOM 1214 C LEU A 82 14.112 -2.475 -1.819 1.00 0.56 C ATOM 1215 O LEU A 82 15.015 -3.109 -1.254 1.00 0.74 O ATOM 1216 CB LEU A 82 11.805 -3.205 -1.301 1.00 0.40 C ATOM 1217 CG LEU A 82 10.602 -3.199 -0.374 1.00 0.38 C ATOM 1218 CD1 LEU A 82 9.579 -4.215 -0.830 1.00 0.45 C ATOM 1219 CD2 LEU A 82 11.045 -3.513 1.028 1.00 0.46 C ATOM 0 H LEU A 82 11.380 -0.860 -1.897 1.00 0.42 H new ATOM 0 HA LEU A 82 13.084 -2.027 -0.015 1.00 0.44 H new ATOM 0 HB2 LEU A 82 11.445 -3.128 -2.327 1.00 0.40 H new ATOM 0 HB3 LEU A 82 12.302 -4.171 -1.209 1.00 0.40 H new ATOM 0 HG LEU A 82 10.144 -2.210 -0.397 1.00 0.38 H new ATOM 0 HD11 LEU A 82 8.723 -4.198 -0.155 1.00 0.45 H new ATOM 0 HD12 LEU A 82 9.249 -3.971 -1.840 1.00 0.45 H new ATOM 0 HD13 LEU A 82 10.026 -5.209 -0.824 1.00 0.45 H new ATOM 0 HD21 LEU A 82 10.181 -3.508 1.692 1.00 0.46 H new ATOM 0 HD22 LEU A 82 11.514 -4.497 1.050 1.00 0.46 H new ATOM 0 HD23 LEU A 82 11.762 -2.762 1.360 1.00 0.46 H new ATOM 1231 N ALA A 83 14.173 -2.090 -3.071 1.00 0.56 N ATOM 1232 CA ALA A 83 15.314 -2.386 -3.909 1.00 0.71 C ATOM 1233 C ALA A 83 16.522 -1.535 -3.527 1.00 0.84 C ATOM 1234 O ALA A 83 17.671 -1.930 -3.747 1.00 1.00 O ATOM 1235 CB ALA A 83 14.953 -2.186 -5.370 1.00 0.78 C ATOM 0 H ALA A 83 13.435 -1.563 -3.539 1.00 0.56 H new ATOM 0 HA ALA A 83 15.589 -3.429 -3.754 1.00 0.71 H new ATOM 0 HB1 ALA A 83 15.819 -2.411 -5.993 1.00 0.78 H new ATOM 0 HB2 ALA A 83 14.131 -2.851 -5.636 1.00 0.78 H new ATOM 0 HB3 ALA A 83 14.649 -1.152 -5.531 1.00 0.78 H new ATOM 1241 N GLU A 84 16.273 -0.389 -2.934 1.00 0.89 N ATOM 1242 CA GLU A 84 17.350 0.498 -2.582 1.00 1.12 C ATOM 1243 C GLU A 84 17.709 0.414 -1.100 1.00 1.10 C ATOM 1244 O GLU A 84 18.886 0.309 -0.748 1.00 1.37 O ATOM 1245 CB GLU A 84 17.028 1.931 -2.989 1.00 1.34 C ATOM 1246 CG GLU A 84 18.132 2.916 -2.661 1.00 1.96 C ATOM 1247 CD GLU A 84 17.862 4.280 -3.200 1.00 2.48 C ATOM 1248 OE1 GLU A 84 17.138 5.057 -2.554 1.00 2.77 O ATOM 1249 OE2 GLU A 84 18.377 4.607 -4.292 1.00 3.17 O ATOM 0 H GLU A 84 15.341 -0.054 -2.689 1.00 0.89 H new ATOM 0 HA GLU A 84 18.229 0.172 -3.138 1.00 1.12 H new ATOM 0 HB2 GLU A 84 16.833 1.960 -4.061 1.00 1.34 H new ATOM 0 HB3 GLU A 84 16.112 2.245 -2.489 1.00 1.34 H new ATOM 0 HG2 GLU A 84 18.253 2.974 -1.579 1.00 1.96 H new ATOM 0 HG3 GLU A 84 19.074 2.549 -3.067 1.00 1.96 H new ATOM 1256 N ALA A 85 16.722 0.453 -0.239 1.00 1.08 N ATOM 1257 CA ALA A 85 16.964 0.439 1.188 1.00 1.24 C ATOM 1258 C ALA A 85 17.129 -0.978 1.712 1.00 1.57 C ATOM 1259 O ALA A 85 16.185 -1.581 2.241 1.00 1.86 O ATOM 1260 CB ALA A 85 15.875 1.194 1.947 1.00 1.36 C ATOM 0 H ALA A 85 15.737 0.495 -0.501 1.00 1.08 H new ATOM 0 HA ALA A 85 17.905 0.961 1.364 1.00 1.24 H new ATOM 0 HB1 ALA A 85 16.088 1.163 3.015 1.00 1.36 H new ATOM 0 HB2 ALA A 85 15.850 2.231 1.612 1.00 1.36 H new ATOM 0 HB3 ALA A 85 14.909 0.727 1.756 1.00 1.36 H new ATOM 1266 N ALA A 86 18.304 -1.523 1.486 1.00 2.28 N ATOM 1267 CA ALA A 86 18.680 -2.840 1.938 1.00 2.95 C ATOM 1268 C ALA A 86 20.179 -2.987 1.788 1.00 3.59 C ATOM 1269 O ALA A 86 20.925 -2.642 2.728 1.00 4.18 O ATOM 1270 CB ALA A 86 17.958 -3.923 1.140 1.00 3.65 C ATOM 1271 OXT ALA A 86 20.636 -3.400 0.710 1.00 3.96 O ATOM 0 H ALA A 86 19.043 -1.047 0.968 1.00 2.28 H new ATOM 0 HA ALA A 86 18.393 -2.959 2.983 1.00 2.95 H new ATOM 0 HB1 ALA A 86 18.261 -4.905 1.503 1.00 3.65 H new ATOM 0 HB2 ALA A 86 16.881 -3.808 1.262 1.00 3.65 H new ATOM 0 HB3 ALA A 86 18.216 -3.830 0.085 1.00 3.65 H new TER 1277 ALA A 86 HETATM 1278 P24 SXV A 87 -6.850 11.079 1.493 1.00 1.02 P HETATM 1279 O26 SXV A 87 -8.051 11.606 0.667 1.00 1.46 O HETATM 1280 O23 SXV A 87 -7.142 10.540 2.907 1.00 1.45 O HETATM 1281 O27 SXV A 87 -5.774 12.220 1.562 1.00 1.00 O HETATM 1282 C28 SXV A 87 -4.543 12.015 2.351 1.00 1.26 C HETATM 1283 C29 SXV A 87 -3.517 13.158 2.192 1.00 1.33 C HETATM 1284 C30 SXV A 87 -2.253 12.677 2.893 1.00 1.50 C HETATM 1285 C31 SXV A 87 -3.210 13.375 0.704 1.00 1.44 C HETATM 1286 C32 SXV A 87 -4.088 14.533 2.817 1.00 1.82 C HETATM 1287 O33 SXV A 87 -5.136 15.023 2.004 1.00 2.23 O HETATM 1288 C34 SXV A 87 -3.037 15.653 2.809 1.00 2.37 C HETATM 1289 O35 SXV A 87 -3.138 16.588 1.981 1.00 2.83 O HETATM 1290 N36 SXV A 87 -2.085 15.563 3.699 1.00 3.05 N HETATM 1291 C37 SXV A 87 -0.979 16.485 3.896 1.00 4.03 C HETATM 1292 C38 SXV A 87 0.154 15.785 4.640 1.00 4.86 C HETATM 1293 C39 SXV A 87 1.339 16.674 4.970 1.00 5.59 C HETATM 1294 O40 SXV A 87 1.340 17.903 4.725 1.00 5.87 O HETATM 1295 N41 SXV A 87 2.342 16.044 5.543 1.00 6.22 N HETATM 1296 C42 SXV A 87 3.583 16.676 5.949 1.00 7.18 C HETATM 1297 C43 SXV A 87 3.763 16.655 7.446 1.00 7.81 C HETATM 1298 S1 SXV A 87 2.469 17.580 8.300 1.00 8.59 S HETATM 1299 C1 SXV A 87 3.010 17.405 10.020 1.00 9.00 C HETATM 1300 C2 SXV A 87 2.941 15.982 10.539 1.00 9.66 C HETATM 1301 C3 SXV A 87 3.442 15.843 11.969 1.00 10.13 C HETATM 1302 O3 SXV A 87 4.322 15.017 12.258 1.00 10.24 O HETATM 1303 C4 SXV A 87 2.842 16.746 13.030 1.00 10.73 C HETATM 0 HO33 SXV A 87 -5.639 14.270 1.629 1.00 2.23 H new HETATM 0 HN41 SXV A 87 2.240 15.043 5.713 1.00 6.22 H new HETATM 0 HN36 SXV A 87 -2.122 14.758 4.324 1.00 3.05 H new HETATM 0 H43A SXV A 87 3.761 15.623 7.796 1.00 7.81 H new HETATM 0 H42A SXV A 87 4.422 16.166 5.476 1.00 7.18 H new HETATM 0 H38A SXV A 87 -0.240 15.369 5.567 1.00 4.86 H new HETATM 0 H37A SXV A 87 -0.622 16.850 2.933 1.00 4.03 H new HETATM 0 H31B SXV A 87 -2.798 12.459 0.280 1.00 1.44 H new HETATM 0 H31A SXV A 87 -4.128 13.638 0.178 1.00 1.44 H new HETATM 0 H30B SXV A 87 -2.471 12.483 3.943 1.00 1.50 H new HETATM 0 H30A SXV A 87 -1.901 11.760 2.420 1.00 1.50 H new HETATM 0 H28A SXV A 87 -4.807 11.917 3.404 1.00 1.26 H new HETATM 0 H4B SXV A 87 3.027 17.788 12.768 1.00 10.73 H new HETATM 0 H4A SXV A 87 1.768 16.572 13.091 1.00 10.73 H new HETATM 0 H43 SXV A 87 4.736 17.076 7.699 1.00 7.81 H new HETATM 0 H42 SXV A 87 3.597 17.707 5.596 1.00 7.18 H new HETATM 0 H4 SXV A 87 3.300 16.528 13.995 1.00 10.73 H new HETATM 0 H38 SXV A 87 0.503 14.946 4.037 1.00 4.86 H new HETATM 0 H37 SXV A 87 -1.315 17.354 4.462 1.00 4.03 H new HETATM 0 H32 SXV A 87 -4.400 14.297 3.834 1.00 1.82 H new HETATM 0 H31 SXV A 87 -2.486 14.182 0.596 1.00 1.44 H new HETATM 0 H30 SXV A 87 -1.481 13.443 2.818 1.00 1.50 H new HETATM 0 H2A SXV A 87 1.910 15.632 10.486 1.00 9.66 H new HETATM 0 H28 SXV A 87 -4.079 11.076 2.050 1.00 1.26 H new HETATM 0 H2 SXV A 87 3.531 15.336 9.889 1.00 9.66 H new HETATM 0 H1A SXV A 87 4.035 17.765 10.108 1.00 9.00 H new HETATM 0 H1 SXV A 87 2.393 18.043 10.652 1.00 9.00 H new