USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=14 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 Set 1.1: A 17 SER OG : rot 93:sc= 0.584 USER MOD Set 1.2: A 40 TYR OH : rot 43:sc= 1.21 USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -75:sc= 1.2 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.326 USER MOD Single : A 24 THR OG1 : rot 80:sc= -0.138 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -139:sc= 0 (180deg=-1.09) USER MOD Single : A 48 THR OG1 : rot 69:sc= 1.27 USER MOD Single : A 54 SER OG : rot 74:sc= 0.243 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0176 USER MOD Single : A 70 THR OG1 : rot -66:sc= 0.656 USER MOD Single : A 79 ASN : amide:sc= 0.362 K(o=0.36,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.346 -7.560 2.198 1.00 4.11 N ATOM 2 CA MET A 1 21.151 -7.749 3.000 1.00 3.57 C ATOM 3 C MET A 1 20.400 -6.441 3.062 1.00 2.82 C ATOM 4 O MET A 1 20.931 -5.425 3.523 1.00 3.20 O ATOM 5 CB MET A 1 21.527 -8.276 4.405 1.00 4.13 C ATOM 6 CG MET A 1 20.362 -8.491 5.379 1.00 4.73 C ATOM 7 SD MET A 1 19.747 -6.964 6.138 1.00 5.41 S ATOM 8 CE MET A 1 18.395 -7.607 7.120 1.00 6.05 C ATOM 0 H1 MET A 1 22.874 -8.454 2.146 1.00 4.11 H new ATOM 0 H2 MET A 1 22.077 -7.261 1.239 1.00 4.11 H new ATOM 0 H3 MET A 1 22.944 -6.829 2.633 1.00 4.11 H new ATOM 0 HA MET A 1 20.502 -8.498 2.547 1.00 3.57 H new ATOM 0 HB2 MET A 1 22.054 -9.223 4.287 1.00 4.13 H new ATOM 0 HB3 MET A 1 22.228 -7.575 4.858 1.00 4.13 H new ATOM 0 HG2 MET A 1 19.543 -8.977 4.849 1.00 4.73 H new ATOM 0 HG3 MET A 1 20.681 -9.174 6.167 1.00 4.73 H new ATOM 0 HE1 MET A 1 17.910 -6.788 7.652 1.00 6.05 H new ATOM 0 HE2 MET A 1 17.671 -8.095 6.467 1.00 6.05 H new ATOM 0 HE3 MET A 1 18.780 -8.330 7.839 1.00 6.05 H new ATOM 20 N ALA A 2 19.196 -6.446 2.575 1.00 2.27 N ATOM 21 CA ALA A 2 18.396 -5.256 2.550 1.00 2.03 C ATOM 22 C ALA A 2 17.093 -5.482 3.270 1.00 1.61 C ATOM 23 O ALA A 2 16.495 -6.560 3.176 1.00 2.08 O ATOM 24 CB ALA A 2 18.139 -4.817 1.118 1.00 2.71 C ATOM 0 H ALA A 2 18.741 -7.271 2.185 1.00 2.27 H new ATOM 0 HA ALA A 2 18.942 -4.464 3.062 1.00 2.03 H new ATOM 0 HB1 ALA A 2 17.530 -3.913 1.118 1.00 2.71 H new ATOM 0 HB2 ALA A 2 19.089 -4.615 0.623 1.00 2.71 H new ATOM 0 HB3 ALA A 2 17.613 -5.608 0.584 1.00 2.71 H new ATOM 30 N THR A 3 16.673 -4.498 4.002 1.00 1.31 N ATOM 31 CA THR A 3 15.408 -4.536 4.679 1.00 1.19 C ATOM 32 C THR A 3 14.354 -3.951 3.729 1.00 0.95 C ATOM 33 O THR A 3 13.909 -2.815 3.882 1.00 1.12 O ATOM 34 CB THR A 3 15.476 -3.713 5.989 1.00 1.56 C ATOM 35 OG1 THR A 3 16.677 -4.073 6.710 1.00 2.44 O ATOM 36 CG2 THR A 3 14.263 -4.001 6.877 1.00 2.02 C ATOM 0 H THR A 3 17.200 -3.637 4.150 1.00 1.31 H new ATOM 0 HA THR A 3 15.148 -5.560 4.946 1.00 1.19 H new ATOM 0 HB THR A 3 15.483 -2.653 5.734 1.00 1.56 H new ATOM 0 HG1 THR A 3 16.728 -3.555 7.540 1.00 2.44 H new ATOM 0 HG21 THR A 3 14.333 -3.411 7.791 1.00 2.02 H new ATOM 0 HG22 THR A 3 13.350 -3.736 6.343 1.00 2.02 H new ATOM 0 HG23 THR A 3 14.241 -5.061 7.130 1.00 2.02 H new ATOM 44 N LEU A 4 14.067 -4.694 2.688 1.00 0.80 N ATOM 45 CA LEU A 4 13.147 -4.266 1.684 1.00 0.65 C ATOM 46 C LEU A 4 11.837 -4.997 1.923 1.00 0.68 C ATOM 47 O LEU A 4 11.840 -6.104 2.483 1.00 0.86 O ATOM 48 CB LEU A 4 13.715 -4.587 0.295 1.00 0.70 C ATOM 49 CG LEU A 4 13.115 -3.819 -0.868 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.396 -2.333 -0.710 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.676 -4.321 -2.180 1.00 1.01 C ATOM 0 H LEU A 4 14.471 -5.615 2.520 1.00 0.80 H new ATOM 0 HA LEU A 4 12.981 -3.190 1.732 1.00 0.65 H new ATOM 0 HB2 LEU A 4 14.789 -4.399 0.312 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.581 -5.652 0.108 1.00 0.70 H new ATOM 0 HG LEU A 4 12.037 -3.977 -0.871 1.00 0.69 H new ATOM 0 HD11 LEU A 4 12.962 -1.789 -1.549 1.00 0.70 H new ATOM 0 HD12 LEU A 4 12.955 -1.976 0.221 1.00 0.70 H new ATOM 0 HD13 LEU A 4 14.473 -2.167 -0.688 1.00 0.70 H new ATOM 0 HD21 LEU A 4 13.235 -3.759 -3.003 1.00 1.01 H new ATOM 0 HD22 LEU A 4 14.758 -4.187 -2.188 1.00 1.01 H new ATOM 0 HD23 LEU A 4 13.440 -5.379 -2.295 1.00 1.01 H new ATOM 63 N LEU A 5 10.742 -4.405 1.525 1.00 0.60 N ATOM 64 CA LEU A 5 9.442 -4.980 1.792 1.00 0.64 C ATOM 65 C LEU A 5 9.105 -6.080 0.811 1.00 0.59 C ATOM 66 O LEU A 5 9.065 -5.861 -0.398 1.00 0.61 O ATOM 67 CB LEU A 5 8.360 -3.900 1.759 1.00 0.69 C ATOM 68 CG LEU A 5 8.504 -2.770 2.768 1.00 0.90 C ATOM 69 CD1 LEU A 5 7.310 -1.842 2.688 1.00 1.61 C ATOM 70 CD2 LEU A 5 8.670 -3.317 4.173 1.00 1.54 C ATOM 0 H LEU A 5 10.720 -3.523 1.013 1.00 0.60 H new ATOM 0 HA LEU A 5 9.479 -5.419 2.789 1.00 0.64 H new ATOM 0 HB2 LEU A 5 8.341 -3.466 0.759 1.00 0.69 H new ATOM 0 HB3 LEU A 5 7.394 -4.379 1.917 1.00 0.69 H new ATOM 0 HG LEU A 5 9.401 -2.201 2.524 1.00 0.90 H new ATOM 0 HD11 LEU A 5 7.425 -1.038 3.415 1.00 1.61 H new ATOM 0 HD12 LEU A 5 7.245 -1.419 1.686 1.00 1.61 H new ATOM 0 HD13 LEU A 5 6.400 -2.401 2.906 1.00 1.61 H new ATOM 0 HD21 LEU A 5 8.771 -2.490 4.876 1.00 1.54 H new ATOM 0 HD22 LEU A 5 7.796 -3.913 4.437 1.00 1.54 H new ATOM 0 HD23 LEU A 5 9.562 -3.942 4.217 1.00 1.54 H new ATOM 82 N THR A 6 8.888 -7.255 1.320 1.00 0.61 N ATOM 83 CA THR A 6 8.489 -8.351 0.500 1.00 0.63 C ATOM 84 C THR A 6 6.958 -8.398 0.423 1.00 0.57 C ATOM 85 O THR A 6 6.273 -7.490 0.957 1.00 0.59 O ATOM 86 CB THR A 6 9.051 -9.700 1.021 1.00 0.79 C ATOM 87 OG1 THR A 6 8.591 -9.965 2.368 1.00 0.95 O ATOM 88 CG2 THR A 6 10.576 -9.697 0.991 1.00 0.97 C ATOM 0 H THR A 6 8.983 -7.477 2.311 1.00 0.61 H new ATOM 0 HA THR A 6 8.902 -8.199 -0.497 1.00 0.63 H new ATOM 0 HB THR A 6 8.685 -10.488 0.363 1.00 0.79 H new ATOM 0 HG1 THR A 6 9.083 -9.399 2.999 1.00 0.95 H new ATOM 0 HG21 THR A 6 10.949 -10.652 1.360 1.00 0.97 H new ATOM 0 HG22 THR A 6 10.919 -9.544 -0.032 1.00 0.97 H new ATOM 0 HG23 THR A 6 10.951 -8.892 1.623 1.00 0.97 H new ATOM 96 N THR A 7 6.417 -9.441 -0.172 1.00 0.60 N ATOM 97 CA THR A 7 4.992 -9.603 -0.289 1.00 0.59 C ATOM 98 C THR A 7 4.371 -9.817 1.111 1.00 0.53 C ATOM 99 O THR A 7 3.282 -9.304 1.417 1.00 0.56 O ATOM 100 CB THR A 7 4.688 -10.792 -1.223 1.00 0.69 C ATOM 101 OG1 THR A 7 5.402 -10.590 -2.453 1.00 0.90 O ATOM 102 CG2 THR A 7 3.202 -10.893 -1.525 1.00 0.81 C ATOM 0 H THR A 7 6.959 -10.199 -0.587 1.00 0.60 H new ATOM 0 HA THR A 7 4.550 -8.704 -0.719 1.00 0.59 H new ATOM 0 HB THR A 7 4.998 -11.715 -0.732 1.00 0.69 H new ATOM 0 HG1 THR A 7 5.223 -11.337 -3.061 1.00 0.90 H new ATOM 0 HG21 THR A 7 3.022 -11.741 -2.186 1.00 0.81 H new ATOM 0 HG22 THR A 7 2.651 -11.034 -0.595 1.00 0.81 H new ATOM 0 HG23 THR A 7 2.866 -9.977 -2.011 1.00 0.81 H new ATOM 110 N ASP A 8 5.106 -10.515 1.978 1.00 0.54 N ATOM 111 CA ASP A 8 4.639 -10.768 3.339 1.00 0.54 C ATOM 112 C ASP A 8 4.648 -9.477 4.152 1.00 0.52 C ATOM 113 O ASP A 8 3.707 -9.197 4.910 1.00 0.54 O ATOM 114 CB ASP A 8 5.499 -11.830 4.024 1.00 0.63 C ATOM 115 CG ASP A 8 5.027 -12.162 5.422 1.00 1.48 C ATOM 116 OD1 ASP A 8 4.062 -12.961 5.566 1.00 1.98 O ATOM 117 OD2 ASP A 8 5.598 -11.615 6.394 1.00 2.26 O ATOM 0 H ASP A 8 6.021 -10.912 1.763 1.00 0.54 H new ATOM 0 HA ASP A 8 3.617 -11.142 3.282 1.00 0.54 H new ATOM 0 HB2 ASP A 8 5.495 -12.737 3.420 1.00 0.63 H new ATOM 0 HB3 ASP A 8 6.531 -11.481 4.068 1.00 0.63 H new ATOM 122 N ASP A 9 5.692 -8.665 3.942 1.00 0.57 N ATOM 123 CA ASP A 9 5.830 -7.369 4.635 1.00 0.64 C ATOM 124 C ASP A 9 4.687 -6.469 4.265 1.00 0.59 C ATOM 125 O ASP A 9 4.057 -5.846 5.132 1.00 0.63 O ATOM 126 CB ASP A 9 7.140 -6.638 4.284 1.00 0.79 C ATOM 127 CG ASP A 9 8.409 -7.312 4.749 1.00 1.60 C ATOM 128 OD1 ASP A 9 8.799 -7.138 5.917 1.00 1.70 O ATOM 129 OD2 ASP A 9 9.055 -7.988 3.938 1.00 2.47 O ATOM 0 H ASP A 9 6.455 -8.879 3.299 1.00 0.57 H new ATOM 0 HA ASP A 9 5.835 -7.591 5.702 1.00 0.64 H new ATOM 0 HB2 ASP A 9 7.189 -6.518 3.202 1.00 0.79 H new ATOM 0 HB3 ASP A 9 7.103 -5.637 4.714 1.00 0.79 H new ATOM 134 N LEU A 10 4.413 -6.416 2.966 1.00 0.54 N ATOM 135 CA LEU A 10 3.337 -5.611 2.422 1.00 0.54 C ATOM 136 C LEU A 10 2.000 -6.035 3.012 1.00 0.53 C ATOM 137 O LEU A 10 1.194 -5.197 3.398 1.00 0.59 O ATOM 138 CB LEU A 10 3.286 -5.755 0.906 1.00 0.55 C ATOM 139 CG LEU A 10 2.232 -4.907 0.194 1.00 0.59 C ATOM 140 CD1 LEU A 10 2.546 -3.417 0.308 1.00 0.70 C ATOM 141 CD2 LEU A 10 2.101 -5.330 -1.249 1.00 0.65 C ATOM 0 H LEU A 10 4.937 -6.935 2.261 1.00 0.54 H new ATOM 0 HA LEU A 10 3.528 -4.570 2.682 1.00 0.54 H new ATOM 0 HB2 LEU A 10 4.265 -5.499 0.502 1.00 0.55 H new ATOM 0 HB3 LEU A 10 3.106 -6.803 0.665 1.00 0.55 H new ATOM 0 HG LEU A 10 1.274 -5.074 0.687 1.00 0.59 H new ATOM 0 HD11 LEU A 10 1.777 -2.843 -0.209 1.00 0.70 H new ATOM 0 HD12 LEU A 10 2.569 -3.129 1.359 1.00 0.70 H new ATOM 0 HD13 LEU A 10 3.517 -3.214 -0.145 1.00 0.70 H new ATOM 0 HD21 LEU A 10 1.347 -4.716 -1.741 1.00 0.65 H new ATOM 0 HD22 LEU A 10 3.059 -5.202 -1.754 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.803 -6.378 -1.295 1.00 0.65 H new ATOM 153 N ARG A 11 1.783 -7.346 3.100 1.00 0.49 N ATOM 154 CA ARG A 11 0.543 -7.886 3.650 1.00 0.50 C ATOM 155 C ARG A 11 0.299 -7.389 5.049 1.00 0.54 C ATOM 156 O ARG A 11 -0.789 -6.928 5.353 1.00 0.63 O ATOM 157 CB ARG A 11 0.545 -9.414 3.634 1.00 0.51 C ATOM 158 CG ARG A 11 -0.698 -10.029 4.269 1.00 0.61 C ATOM 159 CD ARG A 11 -0.726 -11.526 4.114 1.00 0.72 C ATOM 160 NE ARG A 11 0.446 -12.193 4.698 1.00 0.96 N ATOM 161 CZ ARG A 11 0.551 -13.513 4.816 1.00 1.24 C ATOM 162 NH1 ARG A 11 -0.526 -14.269 4.621 1.00 1.65 N ATOM 163 NH2 ARG A 11 1.699 -14.063 5.187 1.00 1.80 N ATOM 0 H ARG A 11 2.452 -8.054 2.797 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.267 -7.533 3.012 1.00 0.50 H new ATOM 0 HB2 ARG A 11 0.626 -9.759 2.603 1.00 0.51 H new ATOM 0 HB3 ARG A 11 1.429 -9.774 4.161 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -0.729 -9.773 5.328 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -1.589 -9.600 3.811 1.00 0.61 H new ATOM 0 HD2 ARG A 11 -1.629 -11.916 4.584 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -0.786 -11.774 3.054 1.00 0.72 H new ATOM 0 HE ARG A 11 1.218 -11.614 5.029 1.00 0.96 H new ATOM 0 HH11 ARG A 11 -1.418 -13.835 4.384 1.00 1.65 H new ATOM 0 HH12 ARG A 11 -0.460 -15.283 4.708 1.00 1.65 H new ATOM 0 HH21 ARG A 11 2.507 -13.473 5.384 1.00 1.80 H new ATOM 0 HH22 ARG A 11 1.774 -15.076 5.276 1.00 1.80 H new ATOM 177 N ARG A 12 1.329 -7.443 5.885 1.00 0.54 N ATOM 178 CA ARG A 12 1.188 -7.014 7.267 1.00 0.60 C ATOM 179 C ARG A 12 0.847 -5.528 7.335 1.00 0.58 C ATOM 180 O ARG A 12 0.060 -5.118 8.171 1.00 0.66 O ATOM 181 CB ARG A 12 2.440 -7.309 8.076 1.00 0.68 C ATOM 182 CG ARG A 12 2.900 -8.752 8.016 1.00 0.80 C ATOM 183 CD ARG A 12 4.119 -8.977 8.896 1.00 0.96 C ATOM 184 NE ARG A 12 5.134 -7.931 8.697 1.00 1.50 N ATOM 185 CZ ARG A 12 6.264 -8.059 7.982 1.00 2.02 C ATOM 186 NH1 ARG A 12 6.528 -9.181 7.287 1.00 2.23 N ATOM 187 NH2 ARG A 12 7.115 -7.046 7.924 1.00 2.93 N ATOM 0 H ARG A 12 2.260 -7.776 5.632 1.00 0.54 H new ATOM 0 HA ARG A 12 0.369 -7.583 7.706 1.00 0.60 H new ATOM 0 HB2 ARG A 12 3.247 -6.668 7.720 1.00 0.68 H new ATOM 0 HB3 ARG A 12 2.256 -7.042 9.117 1.00 0.68 H new ATOM 0 HG2 ARG A 12 2.091 -9.408 8.336 1.00 0.80 H new ATOM 0 HG3 ARG A 12 3.137 -9.018 6.986 1.00 0.80 H new ATOM 0 HD2 ARG A 12 3.814 -8.994 9.942 1.00 0.96 H new ATOM 0 HD3 ARG A 12 4.553 -9.952 8.674 1.00 0.96 H new ATOM 0 HE ARG A 12 4.965 -7.029 9.141 1.00 1.50 H new ATOM 0 HH11 ARG A 12 5.864 -9.955 7.297 1.00 2.23 H new ATOM 0 HH12 ARG A 12 7.392 -9.257 6.751 1.00 2.23 H new ATOM 0 HH21 ARG A 12 6.910 -6.178 8.420 1.00 2.93 H new ATOM 0 HH22 ARG A 12 7.976 -7.133 7.384 1.00 2.93 H new ATOM 201 N ALA A 13 1.402 -4.743 6.405 1.00 0.54 N ATOM 202 CA ALA A 13 1.115 -3.313 6.336 1.00 0.58 C ATOM 203 C ALA A 13 -0.347 -3.088 6.013 1.00 0.56 C ATOM 204 O ALA A 13 -0.999 -2.282 6.662 1.00 0.65 O ATOM 205 CB ALA A 13 1.985 -2.611 5.301 1.00 0.66 C ATOM 0 H ALA A 13 2.051 -5.077 5.692 1.00 0.54 H new ATOM 0 HA ALA A 13 1.344 -2.886 7.312 1.00 0.58 H new ATOM 0 HB1 ALA A 13 1.741 -1.549 5.281 1.00 0.66 H new ATOM 0 HB2 ALA A 13 3.036 -2.737 5.563 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.802 -3.044 4.318 1.00 0.66 H new ATOM 211 N LEU A 14 -0.860 -3.838 5.034 1.00 0.53 N ATOM 212 CA LEU A 14 -2.244 -3.759 4.629 1.00 0.59 C ATOM 213 C LEU A 14 -3.193 -4.239 5.729 1.00 0.75 C ATOM 214 O LEU A 14 -4.373 -3.888 5.740 1.00 1.02 O ATOM 215 CB LEU A 14 -2.466 -4.542 3.332 1.00 0.54 C ATOM 216 CG LEU A 14 -2.268 -3.782 2.001 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.281 -2.661 1.867 1.00 0.62 C ATOM 218 CD2 LEU A 14 -0.860 -3.226 1.858 1.00 1.06 C ATOM 0 H LEU A 14 -0.314 -4.517 4.504 1.00 0.53 H new ATOM 0 HA LEU A 14 -2.474 -2.709 4.447 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.791 -5.398 3.335 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -3.482 -4.937 3.347 1.00 0.54 H new ATOM 0 HG LEU A 14 -2.421 -4.505 1.200 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -3.124 -2.139 0.923 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -4.288 -3.077 1.888 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -3.160 -1.961 2.693 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -0.771 -2.701 0.907 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -0.658 -2.534 2.675 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -0.141 -4.044 1.889 1.00 1.06 H new ATOM 230 N VAL A 15 -2.687 -5.056 6.625 1.00 0.71 N ATOM 231 CA VAL A 15 -3.449 -5.464 7.787 1.00 0.83 C ATOM 232 C VAL A 15 -3.508 -4.278 8.745 1.00 0.85 C ATOM 233 O VAL A 15 -4.581 -3.845 9.135 1.00 0.98 O ATOM 234 CB VAL A 15 -2.804 -6.694 8.503 1.00 0.89 C ATOM 235 CG1 VAL A 15 -3.568 -7.058 9.768 1.00 1.02 C ATOM 236 CG2 VAL A 15 -2.763 -7.895 7.571 1.00 0.91 C ATOM 0 H VAL A 15 -1.749 -5.453 6.572 1.00 0.71 H new ATOM 0 HA VAL A 15 -4.448 -5.766 7.472 1.00 0.83 H new ATOM 0 HB VAL A 15 -1.786 -6.417 8.778 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -3.095 -7.917 10.244 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -3.558 -6.212 10.455 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -4.598 -7.306 9.512 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -2.310 -8.741 8.088 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -3.777 -8.155 7.268 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -2.172 -7.651 6.688 1.00 0.91 H new ATOM 246 N GLU A 16 -2.337 -3.758 9.090 1.00 0.81 N ATOM 247 CA GLU A 16 -2.194 -2.627 9.997 1.00 0.87 C ATOM 248 C GLU A 16 -2.979 -1.384 9.555 1.00 0.89 C ATOM 249 O GLU A 16 -3.582 -0.700 10.401 1.00 1.05 O ATOM 250 CB GLU A 16 -0.741 -2.254 10.144 1.00 0.91 C ATOM 251 CG GLU A 16 0.136 -3.351 10.692 1.00 1.00 C ATOM 252 CD GLU A 16 1.520 -2.848 10.948 1.00 1.30 C ATOM 253 OE1 GLU A 16 1.697 -1.829 11.653 1.00 1.90 O ATOM 254 OE2 GLU A 16 2.471 -3.458 10.440 1.00 1.91 O ATOM 0 H GLU A 16 -1.447 -4.115 8.742 1.00 0.81 H new ATOM 0 HA GLU A 16 -2.609 -2.956 10.950 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -0.357 -1.952 9.170 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -0.667 -1.386 10.799 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -0.292 -3.737 11.617 1.00 1.00 H new ATOM 0 HG3 GLU A 16 0.171 -4.181 9.986 1.00 1.00 H new ATOM 261 N SER A 17 -2.962 -1.084 8.262 1.00 0.82 N ATOM 262 CA SER A 17 -3.654 0.074 7.739 1.00 0.93 C ATOM 263 C SER A 17 -5.163 -0.028 7.954 1.00 1.03 C ATOM 264 O SER A 17 -5.816 0.966 8.288 1.00 1.22 O ATOM 265 CB SER A 17 -3.299 0.276 6.264 1.00 0.96 C ATOM 266 OG SER A 17 -3.404 -0.943 5.558 1.00 1.58 O ATOM 0 H SER A 17 -2.471 -1.634 7.557 1.00 0.82 H new ATOM 0 HA SER A 17 -3.322 0.953 8.291 1.00 0.93 H new ATOM 0 HB2 SER A 17 -3.965 1.017 5.822 1.00 0.96 H new ATOM 0 HB3 SER A 17 -2.285 0.667 6.178 1.00 0.96 H new ATOM 0 HG SER A 17 -4.301 -1.021 5.172 1.00 1.58 H new ATOM 272 N ALA A 18 -5.702 -1.225 7.782 1.00 1.04 N ATOM 273 CA ALA A 18 -7.107 -1.465 8.006 1.00 1.24 C ATOM 274 C ALA A 18 -7.376 -1.527 9.500 1.00 1.43 C ATOM 275 O ALA A 18 -8.239 -0.815 10.019 1.00 1.88 O ATOM 276 CB ALA A 18 -7.543 -2.760 7.327 1.00 1.25 C ATOM 0 H ALA A 18 -5.177 -2.048 7.485 1.00 1.04 H new ATOM 0 HA ALA A 18 -7.684 -0.648 7.573 1.00 1.24 H new ATOM 0 HB1 ALA A 18 -8.605 -2.925 7.506 1.00 1.25 H new ATOM 0 HB2 ALA A 18 -7.363 -2.687 6.254 1.00 1.25 H new ATOM 0 HB3 ALA A 18 -6.972 -3.594 7.734 1.00 1.25 H new ATOM 282 N GLY A 19 -6.600 -2.343 10.184 1.00 1.86 N ATOM 283 CA GLY A 19 -6.729 -2.509 11.606 1.00 2.13 C ATOM 284 C GLY A 19 -7.995 -3.240 11.954 1.00 2.09 C ATOM 285 O GLY A 19 -8.168 -4.414 11.604 1.00 2.45 O ATOM 0 H GLY A 19 -5.863 -2.908 9.763 1.00 1.86 H new ATOM 0 HA2 GLY A 19 -5.870 -3.060 11.990 1.00 2.13 H new ATOM 0 HA3 GLY A 19 -6.724 -1.533 12.091 1.00 2.13 H new ATOM 289 N GLU A 20 -8.901 -2.551 12.580 1.00 2.13 N ATOM 290 CA GLU A 20 -10.146 -3.133 12.935 1.00 2.46 C ATOM 291 C GLU A 20 -11.234 -2.466 12.148 1.00 2.48 C ATOM 292 O GLU A 20 -11.559 -1.288 12.357 1.00 3.18 O ATOM 293 CB GLU A 20 -10.407 -3.089 14.448 1.00 3.09 C ATOM 294 CG GLU A 20 -10.288 -1.722 15.086 1.00 3.54 C ATOM 295 CD GLU A 20 -10.692 -1.740 16.522 1.00 4.23 C ATOM 296 OE1 GLU A 20 -9.854 -2.053 17.373 1.00 4.67 O ATOM 297 OE2 GLU A 20 -11.854 -1.408 16.832 1.00 4.69 O ATOM 0 H GLU A 20 -8.793 -1.575 12.855 1.00 2.13 H new ATOM 0 HA GLU A 20 -10.124 -4.193 12.683 1.00 2.46 H new ATOM 0 HB2 GLU A 20 -11.409 -3.475 14.638 1.00 3.09 H new ATOM 0 HB3 GLU A 20 -9.707 -3.764 14.940 1.00 3.09 H new ATOM 0 HG2 GLU A 20 -9.259 -1.371 15.003 1.00 3.54 H new ATOM 0 HG3 GLU A 20 -10.912 -1.012 14.542 1.00 3.54 H new ATOM 304 N THR A 21 -11.726 -3.181 11.198 1.00 2.07 N ATOM 305 CA THR A 21 -12.745 -2.719 10.333 1.00 2.31 C ATOM 306 C THR A 21 -13.233 -3.937 9.543 1.00 2.42 C ATOM 307 O THR A 21 -13.019 -5.075 9.995 1.00 2.89 O ATOM 308 CB THR A 21 -12.207 -1.565 9.398 1.00 2.31 C ATOM 309 OG1 THR A 21 -13.272 -0.995 8.620 1.00 2.58 O ATOM 310 CG2 THR A 21 -11.094 -2.051 8.461 1.00 2.00 C ATOM 0 H THR A 21 -11.418 -4.133 10.998 1.00 2.07 H new ATOM 0 HA THR A 21 -13.575 -2.281 10.888 1.00 2.31 H new ATOM 0 HB THR A 21 -11.789 -0.802 10.055 1.00 2.31 H new ATOM 0 HG1 THR A 21 -12.915 -0.282 8.050 1.00 2.58 H new ATOM 0 HG21 THR A 21 -10.756 -1.223 7.838 1.00 2.00 H new ATOM 0 HG22 THR A 21 -10.258 -2.425 9.052 1.00 2.00 H new ATOM 0 HG23 THR A 21 -11.476 -2.851 7.826 1.00 2.00 H new ATOM 318 N ASP A 22 -13.839 -3.731 8.404 1.00 2.59 N ATOM 319 CA ASP A 22 -14.301 -4.833 7.578 1.00 2.92 C ATOM 320 C ASP A 22 -13.159 -5.377 6.744 1.00 2.46 C ATOM 321 O ASP A 22 -12.844 -4.857 5.668 1.00 3.05 O ATOM 322 CB ASP A 22 -15.452 -4.403 6.687 1.00 3.98 C ATOM 323 CG ASP A 22 -15.962 -5.515 5.804 1.00 4.45 C ATOM 324 OD1 ASP A 22 -16.215 -6.636 6.312 1.00 4.62 O ATOM 325 OD2 ASP A 22 -16.171 -5.277 4.594 1.00 4.98 O ATOM 0 H ASP A 22 -14.029 -2.806 8.018 1.00 2.59 H new ATOM 0 HA ASP A 22 -14.663 -5.623 8.236 1.00 2.92 H new ATOM 0 HB2 ASP A 22 -16.269 -4.037 7.309 1.00 3.98 H new ATOM 0 HB3 ASP A 22 -15.129 -3.570 6.063 1.00 3.98 H new ATOM 330 N GLY A 23 -12.511 -6.377 7.271 1.00 1.97 N ATOM 331 CA GLY A 23 -11.370 -6.926 6.620 1.00 2.01 C ATOM 332 C GLY A 23 -11.698 -8.138 5.796 1.00 1.57 C ATOM 333 O GLY A 23 -12.402 -9.046 6.257 1.00 1.97 O ATOM 0 H GLY A 23 -12.759 -6.825 8.153 1.00 1.97 H new ATOM 0 HA2 GLY A 23 -10.922 -6.167 5.979 1.00 2.01 H new ATOM 0 HA3 GLY A 23 -10.623 -7.192 7.368 1.00 2.01 H new ATOM 337 N THR A 24 -11.221 -8.144 4.586 1.00 1.42 N ATOM 338 CA THR A 24 -11.396 -9.244 3.671 1.00 1.24 C ATOM 339 C THR A 24 -10.301 -10.318 3.882 1.00 1.16 C ATOM 340 O THR A 24 -9.627 -10.348 4.936 1.00 1.49 O ATOM 341 CB THR A 24 -11.330 -8.698 2.234 1.00 1.62 C ATOM 342 OG1 THR A 24 -10.189 -7.837 2.122 1.00 2.43 O ATOM 343 CG2 THR A 24 -12.587 -7.915 1.888 1.00 1.98 C ATOM 0 H THR A 24 -10.686 -7.368 4.195 1.00 1.42 H new ATOM 0 HA THR A 24 -12.362 -9.714 3.852 1.00 1.24 H new ATOM 0 HB THR A 24 -11.249 -9.536 1.542 1.00 1.62 H new ATOM 0 HG1 THR A 24 -9.381 -8.379 2.006 1.00 2.43 H new ATOM 0 HG21 THR A 24 -12.513 -7.541 0.867 1.00 1.98 H new ATOM 0 HG22 THR A 24 -13.457 -8.567 1.974 1.00 1.98 H new ATOM 0 HG23 THR A 24 -12.693 -7.076 2.575 1.00 1.98 H new ATOM 351 N ASP A 25 -10.112 -11.188 2.912 1.00 1.06 N ATOM 352 CA ASP A 25 -9.034 -12.141 2.974 1.00 1.14 C ATOM 353 C ASP A 25 -7.867 -11.561 2.227 1.00 0.91 C ATOM 354 O ASP A 25 -8.046 -10.948 1.162 1.00 1.11 O ATOM 355 CB ASP A 25 -9.410 -13.502 2.389 1.00 1.52 C ATOM 356 CG ASP A 25 -8.282 -14.504 2.533 1.00 1.99 C ATOM 357 OD1 ASP A 25 -8.178 -15.150 3.596 1.00 2.49 O ATOM 358 OD2 ASP A 25 -7.463 -14.641 1.605 1.00 2.41 O ATOM 0 H ASP A 25 -10.691 -11.252 2.075 1.00 1.06 H new ATOM 0 HA ASP A 25 -8.787 -12.319 4.021 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -10.300 -13.881 2.891 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -9.663 -13.388 1.335 1.00 1.52 H new ATOM 363 N LEU A 26 -6.704 -11.723 2.766 1.00 0.84 N ATOM 364 CA LEU A 26 -5.519 -11.137 2.207 1.00 0.77 C ATOM 365 C LEU A 26 -4.428 -12.203 2.218 1.00 0.86 C ATOM 366 O LEU A 26 -3.240 -11.910 2.155 1.00 1.05 O ATOM 367 CB LEU A 26 -5.119 -9.955 3.103 1.00 0.94 C ATOM 368 CG LEU A 26 -4.288 -8.848 2.468 1.00 0.85 C ATOM 369 CD1 LEU A 26 -5.115 -8.123 1.409 1.00 1.22 C ATOM 370 CD2 LEU A 26 -3.815 -7.878 3.531 1.00 1.11 C ATOM 0 H LEU A 26 -6.542 -12.268 3.613 1.00 0.84 H new ATOM 0 HA LEU A 26 -5.675 -10.786 1.187 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -6.031 -9.508 3.499 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -4.562 -10.349 3.953 1.00 0.94 H new ATOM 0 HG LEU A 26 -3.413 -9.286 1.988 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -4.516 -7.332 0.958 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -5.421 -8.831 0.639 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -6.000 -7.688 1.873 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -3.222 -7.090 3.067 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -4.677 -7.436 4.030 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -3.205 -8.409 4.262 1.00 1.11 H new ATOM 382 N SER A 27 -4.858 -13.444 2.258 1.00 0.96 N ATOM 383 CA SER A 27 -3.962 -14.556 2.392 1.00 1.13 C ATOM 384 C SER A 27 -3.421 -14.990 1.043 1.00 1.20 C ATOM 385 O SER A 27 -4.173 -15.111 0.070 1.00 1.66 O ATOM 386 CB SER A 27 -4.692 -15.720 3.080 1.00 1.36 C ATOM 387 OG SER A 27 -3.839 -16.830 3.299 1.00 1.89 O ATOM 0 H SER A 27 -5.842 -13.705 2.198 1.00 0.96 H new ATOM 0 HA SER A 27 -3.113 -14.249 3.003 1.00 1.13 H new ATOM 0 HB2 SER A 27 -5.096 -15.381 4.034 1.00 1.36 H new ATOM 0 HB3 SER A 27 -5.538 -16.029 2.467 1.00 1.36 H new ATOM 0 HG SER A 27 -4.341 -17.547 3.740 1.00 1.89 H new ATOM 393 N GLY A 28 -2.119 -15.198 0.993 1.00 1.48 N ATOM 394 CA GLY A 28 -1.472 -15.696 -0.193 1.00 1.67 C ATOM 395 C GLY A 28 -1.501 -14.726 -1.345 1.00 1.54 C ATOM 396 O GLY A 28 -0.860 -13.675 -1.307 1.00 2.30 O ATOM 0 H GLY A 28 -1.487 -15.025 1.774 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -0.435 -15.938 0.042 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -1.954 -16.625 -0.498 1.00 1.67 H new ATOM 400 N ASP A 29 -2.269 -15.053 -2.347 1.00 1.09 N ATOM 401 CA ASP A 29 -2.328 -14.256 -3.547 1.00 1.07 C ATOM 402 C ASP A 29 -3.281 -13.096 -3.439 1.00 0.87 C ATOM 403 O ASP A 29 -4.412 -13.143 -3.907 1.00 1.13 O ATOM 404 CB ASP A 29 -2.604 -15.100 -4.793 1.00 1.48 C ATOM 405 CG ASP A 29 -1.408 -15.904 -5.212 1.00 2.24 C ATOM 406 OD1 ASP A 29 -0.577 -15.406 -6.000 1.00 2.97 O ATOM 407 OD2 ASP A 29 -1.290 -17.068 -4.775 1.00 2.56 O ATOM 0 H ASP A 29 -2.871 -15.876 -2.358 1.00 1.09 H new ATOM 0 HA ASP A 29 -1.333 -13.826 -3.663 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -3.440 -15.771 -4.597 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -2.905 -14.447 -5.612 1.00 1.48 H new ATOM 412 N PHE A 30 -2.837 -12.087 -2.741 1.00 0.67 N ATOM 413 CA PHE A 30 -3.582 -10.843 -2.608 1.00 0.57 C ATOM 414 C PHE A 30 -2.876 -9.776 -3.436 1.00 0.49 C ATOM 415 O PHE A 30 -3.373 -8.676 -3.625 1.00 0.48 O ATOM 416 CB PHE A 30 -3.607 -10.384 -1.124 1.00 0.59 C ATOM 417 CG PHE A 30 -2.272 -9.853 -0.618 1.00 0.55 C ATOM 418 CD1 PHE A 30 -1.257 -10.735 -0.260 1.00 0.64 C ATOM 419 CD2 PHE A 30 -2.050 -8.499 -0.481 1.00 0.58 C ATOM 420 CE1 PHE A 30 -0.055 -10.271 0.225 1.00 0.74 C ATOM 421 CE2 PHE A 30 -0.848 -8.030 0.012 1.00 0.65 C ATOM 422 CZ PHE A 30 0.170 -8.856 0.242 1.00 0.73 C ATOM 0 H PHE A 30 -1.947 -12.094 -2.243 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.606 -10.994 -2.950 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.363 -9.608 -1.007 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -3.913 -11.224 -0.500 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -1.414 -11.798 -0.364 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -2.823 -7.799 -0.762 1.00 0.58 H new ATOM 0 HE1 PHE A 30 0.699 -10.956 0.583 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -0.732 -6.975 0.214 1.00 0.65 H new ATOM 0 HZ PHE A 30 1.156 -8.463 0.440 1.00 0.73 H new ATOM 432 N LEU A 31 -1.720 -10.144 -3.954 1.00 0.54 N ATOM 433 CA LEU A 31 -0.817 -9.218 -4.599 1.00 0.60 C ATOM 434 C LEU A 31 -1.378 -8.731 -5.933 1.00 0.63 C ATOM 435 O LEU A 31 -1.131 -7.597 -6.350 1.00 0.72 O ATOM 436 CB LEU A 31 0.553 -9.891 -4.787 1.00 0.75 C ATOM 437 CG LEU A 31 1.719 -8.964 -5.099 1.00 0.82 C ATOM 438 CD1 LEU A 31 1.984 -8.043 -3.919 1.00 0.75 C ATOM 439 CD2 LEU A 31 2.968 -9.760 -5.453 1.00 1.43 C ATOM 0 H LEU A 31 -1.380 -11.106 -3.937 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.700 -8.340 -3.964 1.00 0.60 H new ATOM 0 HB2 LEU A 31 0.790 -10.446 -3.879 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.469 -10.620 -5.593 1.00 0.75 H new ATOM 0 HG LEU A 31 1.455 -8.356 -5.964 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.820 -7.384 -4.153 1.00 0.75 H new ATOM 0 HD12 LEU A 31 1.095 -7.445 -3.718 1.00 0.75 H new ATOM 0 HD13 LEU A 31 2.227 -8.639 -3.039 1.00 0.75 H new ATOM 0 HD21 LEU A 31 3.787 -9.074 -5.672 1.00 1.43 H new ATOM 0 HD22 LEU A 31 3.243 -10.398 -4.613 1.00 1.43 H new ATOM 0 HD23 LEU A 31 2.769 -10.379 -6.328 1.00 1.43 H new ATOM 451 N ASP A 32 -2.158 -9.587 -6.568 1.00 0.66 N ATOM 452 CA ASP A 32 -2.791 -9.296 -7.863 1.00 0.83 C ATOM 453 C ASP A 32 -4.291 -8.984 -7.656 1.00 0.73 C ATOM 454 O ASP A 32 -5.076 -8.866 -8.602 1.00 0.96 O ATOM 455 CB ASP A 32 -2.586 -10.512 -8.796 1.00 1.10 C ATOM 456 CG ASP A 32 -3.093 -10.327 -10.216 1.00 1.70 C ATOM 457 OD1 ASP A 32 -2.526 -9.480 -10.956 1.00 2.33 O ATOM 458 OD2 ASP A 32 -4.087 -10.981 -10.600 1.00 2.26 O ATOM 0 H ASP A 32 -2.378 -10.514 -6.205 1.00 0.66 H new ATOM 0 HA ASP A 32 -2.335 -8.420 -8.324 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -1.522 -10.746 -8.834 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -3.087 -11.375 -8.358 1.00 1.10 H new ATOM 463 N LEU A 33 -4.672 -8.825 -6.401 1.00 0.50 N ATOM 464 CA LEU A 33 -6.042 -8.497 -6.060 1.00 0.50 C ATOM 465 C LEU A 33 -6.171 -6.972 -6.102 1.00 0.50 C ATOM 466 O LEU A 33 -5.166 -6.278 -6.176 1.00 0.78 O ATOM 467 CB LEU A 33 -6.401 -9.069 -4.673 1.00 0.49 C ATOM 468 CG LEU A 33 -7.871 -8.978 -4.237 1.00 0.64 C ATOM 469 CD1 LEU A 33 -8.767 -9.729 -5.210 1.00 0.77 C ATOM 470 CD2 LEU A 33 -8.036 -9.532 -2.835 1.00 0.70 C ATOM 0 H LEU A 33 -4.048 -8.918 -5.599 1.00 0.50 H new ATOM 0 HA LEU A 33 -6.741 -8.941 -6.768 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -6.107 -10.118 -4.654 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.795 -8.554 -3.928 1.00 0.49 H new ATOM 0 HG LEU A 33 -8.167 -7.929 -4.238 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -9.804 -9.652 -4.883 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.667 -9.296 -6.205 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.473 -10.778 -5.240 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -9.082 -9.462 -2.537 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.723 -10.576 -2.817 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -7.422 -8.957 -2.142 1.00 0.70 H new ATOM 482 N ARG A 34 -7.368 -6.446 -6.050 1.00 0.34 N ATOM 483 CA ARG A 34 -7.537 -5.021 -6.233 1.00 0.37 C ATOM 484 C ARG A 34 -7.966 -4.372 -4.926 1.00 0.35 C ATOM 485 O ARG A 34 -8.634 -5.008 -4.099 1.00 0.40 O ATOM 486 CB ARG A 34 -8.559 -4.769 -7.351 1.00 0.45 C ATOM 487 CG ARG A 34 -8.272 -5.604 -8.593 1.00 0.60 C ATOM 488 CD ARG A 34 -9.317 -5.434 -9.669 1.00 1.01 C ATOM 489 NE ARG A 34 -9.237 -4.150 -10.369 1.00 1.74 N ATOM 490 CZ ARG A 34 -10.157 -3.715 -11.236 1.00 2.51 C ATOM 491 NH1 ARG A 34 -11.286 -4.389 -11.382 1.00 2.74 N ATOM 492 NH2 ARG A 34 -9.960 -2.614 -11.942 1.00 3.50 N ATOM 0 H ARG A 34 -8.228 -6.969 -5.886 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.589 -4.571 -6.527 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.560 -4.998 -6.985 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -8.551 -3.712 -7.616 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -7.297 -5.327 -8.994 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -8.214 -6.656 -8.312 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -9.213 -6.241 -10.395 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -10.306 -5.533 -9.222 1.00 1.01 H new ATOM 0 HE ARG A 34 -8.432 -3.552 -10.184 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -11.450 -5.234 -10.835 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -11.993 -4.063 -12.041 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -9.096 -2.083 -11.829 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -10.672 -2.295 -12.599 1.00 3.50 H new ATOM 506 N PHE A 35 -7.568 -3.116 -4.729 1.00 0.36 N ATOM 507 CA PHE A 35 -7.903 -2.350 -3.515 1.00 0.39 C ATOM 508 C PHE A 35 -9.401 -2.223 -3.287 1.00 0.47 C ATOM 509 O PHE A 35 -9.855 -2.146 -2.144 1.00 0.54 O ATOM 510 CB PHE A 35 -7.233 -0.967 -3.497 1.00 0.41 C ATOM 511 CG PHE A 35 -5.764 -0.980 -3.146 1.00 0.38 C ATOM 512 CD1 PHE A 35 -5.366 -0.982 -1.820 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.790 -0.984 -4.125 1.00 0.42 C ATOM 514 CE1 PHE A 35 -4.031 -0.986 -1.480 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.449 -0.988 -3.791 1.00 0.47 C ATOM 516 CZ PHE A 35 -3.069 -0.991 -2.467 1.00 0.47 C ATOM 0 H PHE A 35 -7.005 -2.595 -5.401 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.500 -2.931 -2.686 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -7.354 -0.507 -4.478 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.758 -0.334 -2.782 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.113 -0.980 -1.040 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -5.080 -0.984 -5.165 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.738 -0.985 -0.440 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.699 -0.989 -4.568 1.00 0.47 H new ATOM 0 HZ PHE A 35 -2.022 -0.997 -2.203 1.00 0.47 H new ATOM 526 N GLU A 36 -10.163 -2.241 -4.359 1.00 0.57 N ATOM 527 CA GLU A 36 -11.614 -2.168 -4.269 1.00 0.76 C ATOM 528 C GLU A 36 -12.178 -3.419 -3.584 1.00 0.74 C ATOM 529 O GLU A 36 -13.115 -3.340 -2.796 1.00 0.87 O ATOM 530 CB GLU A 36 -12.240 -2.000 -5.656 1.00 0.97 C ATOM 531 CG GLU A 36 -11.849 -3.083 -6.641 1.00 1.31 C ATOM 532 CD GLU A 36 -12.612 -2.988 -7.917 1.00 1.56 C ATOM 533 OE1 GLU A 36 -12.194 -2.213 -8.821 1.00 1.81 O ATOM 534 OE2 GLU A 36 -13.627 -3.669 -8.056 1.00 2.06 O ATOM 0 H GLU A 36 -9.803 -2.306 -5.311 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.868 -1.295 -3.667 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -13.325 -1.989 -5.555 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -11.947 -1.031 -6.061 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -10.782 -3.011 -6.852 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -12.020 -4.060 -6.190 1.00 1.31 H new ATOM 541 N ASP A 37 -11.553 -4.557 -3.848 1.00 0.66 N ATOM 542 CA ASP A 37 -12.016 -5.835 -3.320 1.00 0.73 C ATOM 543 C ASP A 37 -11.678 -5.947 -1.865 1.00 0.73 C ATOM 544 O ASP A 37 -12.384 -6.600 -1.104 1.00 0.89 O ATOM 545 CB ASP A 37 -11.395 -7.018 -4.071 1.00 0.75 C ATOM 546 CG ASP A 37 -11.694 -7.008 -5.540 1.00 1.29 C ATOM 547 OD1 ASP A 37 -12.807 -7.370 -5.921 1.00 1.28 O ATOM 548 OD2 ASP A 37 -10.816 -6.624 -6.343 1.00 2.20 O ATOM 0 H ASP A 37 -10.717 -4.623 -4.429 1.00 0.66 H new ATOM 0 HA ASP A 37 -13.097 -5.869 -3.456 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -10.315 -7.005 -3.927 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -11.763 -7.948 -3.638 1.00 0.75 H new ATOM 553 N ILE A 38 -10.615 -5.284 -1.462 1.00 0.63 N ATOM 554 CA ILE A 38 -10.182 -5.332 -0.078 1.00 0.68 C ATOM 555 C ILE A 38 -10.736 -4.165 0.747 1.00 0.68 C ATOM 556 O ILE A 38 -10.304 -3.930 1.873 1.00 0.73 O ATOM 557 CB ILE A 38 -8.639 -5.472 0.078 1.00 0.68 C ATOM 558 CG1 ILE A 38 -7.893 -4.320 -0.624 1.00 0.55 C ATOM 559 CG2 ILE A 38 -8.181 -6.813 -0.467 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.377 -4.370 -0.495 1.00 0.64 C ATOM 0 H ILE A 38 -10.035 -4.706 -2.070 1.00 0.63 H new ATOM 0 HA ILE A 38 -10.612 -6.246 0.331 1.00 0.68 H new ATOM 0 HB ILE A 38 -8.401 -5.419 1.140 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -8.154 -4.328 -1.682 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -8.248 -3.374 -0.215 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -7.101 -6.902 -0.354 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -8.671 -7.616 0.084 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -8.442 -6.885 -1.523 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.939 -3.521 -1.020 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -6.100 -4.328 0.558 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -6.005 -5.297 -0.931 1.00 0.64 H new ATOM 572 N GLY A 39 -11.728 -3.488 0.191 1.00 0.69 N ATOM 573 CA GLY A 39 -12.432 -2.432 0.901 1.00 0.77 C ATOM 574 C GLY A 39 -11.620 -1.170 1.147 1.00 0.65 C ATOM 575 O GLY A 39 -11.795 -0.502 2.176 1.00 0.74 O ATOM 0 H GLY A 39 -12.066 -3.653 -0.757 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.325 -2.167 0.335 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -12.768 -2.822 1.862 1.00 0.77 H new ATOM 579 N TYR A 40 -10.760 -0.822 0.230 1.00 0.52 N ATOM 580 CA TYR A 40 -9.964 0.369 0.383 1.00 0.47 C ATOM 581 C TYR A 40 -10.481 1.531 -0.431 1.00 0.49 C ATOM 582 O TYR A 40 -10.667 1.434 -1.651 1.00 0.61 O ATOM 583 CB TYR A 40 -8.475 0.111 0.108 1.00 0.46 C ATOM 584 CG TYR A 40 -7.740 -0.424 1.307 1.00 0.50 C ATOM 585 CD1 TYR A 40 -7.908 -1.727 1.736 1.00 0.62 C ATOM 586 CD2 TYR A 40 -6.897 0.399 2.030 1.00 0.61 C ATOM 587 CE1 TYR A 40 -7.254 -2.199 2.849 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.244 -0.057 3.147 1.00 0.78 C ATOM 589 CZ TYR A 40 -6.424 -1.356 3.553 1.00 0.81 C ATOM 590 OH TYR A 40 -5.789 -1.795 4.682 1.00 1.02 O ATOM 0 H TYR A 40 -10.591 -1.343 -0.630 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.059 0.655 1.431 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -8.381 -0.597 -0.715 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -8.005 1.040 -0.215 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -8.565 -2.386 1.187 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.750 1.420 1.710 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -7.390 -3.222 3.168 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.593 0.601 3.703 1.00 0.78 H new ATOM 0 HH TYR A 40 -5.443 -2.699 4.532 1.00 1.02 H new ATOM 600 N ASP A 41 -10.759 2.618 0.268 1.00 0.48 N ATOM 601 CA ASP A 41 -11.132 3.882 -0.356 1.00 0.56 C ATOM 602 C ASP A 41 -9.869 4.568 -0.823 1.00 0.45 C ATOM 603 O ASP A 41 -8.757 4.147 -0.459 1.00 0.39 O ATOM 604 CB ASP A 41 -11.844 4.832 0.637 1.00 0.75 C ATOM 605 CG ASP A 41 -13.210 4.390 1.089 1.00 1.11 C ATOM 606 OD1 ASP A 41 -14.179 4.495 0.304 1.00 1.20 O ATOM 607 OD2 ASP A 41 -13.350 3.919 2.237 1.00 2.01 O ATOM 0 H ASP A 41 -10.733 2.652 1.287 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.814 3.665 -1.178 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -11.211 4.952 1.516 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -11.934 5.814 0.173 1.00 0.75 H new ATOM 612 N SER A 42 -10.015 5.640 -1.560 1.00 0.57 N ATOM 613 CA SER A 42 -8.876 6.398 -2.032 1.00 0.62 C ATOM 614 C SER A 42 -8.151 7.009 -0.843 1.00 0.53 C ATOM 615 O SER A 42 -6.933 6.872 -0.709 1.00 0.54 O ATOM 616 CB SER A 42 -9.347 7.474 -2.962 1.00 0.83 C ATOM 617 OG SER A 42 -10.401 8.212 -2.301 1.00 1.24 O ATOM 0 H SER A 42 -10.919 6.013 -1.850 1.00 0.57 H new ATOM 0 HA SER A 42 -8.189 5.743 -2.568 1.00 0.62 H new ATOM 0 HB2 SER A 42 -8.523 8.139 -3.223 1.00 0.83 H new ATOM 0 HB3 SER A 42 -9.713 7.039 -3.892 1.00 0.83 H new ATOM 622 N LEU A 43 -8.931 7.645 0.040 1.00 0.53 N ATOM 623 CA LEU A 43 -8.422 8.217 1.280 1.00 0.54 C ATOM 624 C LEU A 43 -7.714 7.181 2.102 1.00 0.45 C ATOM 625 O LEU A 43 -6.672 7.452 2.669 1.00 0.47 O ATOM 626 CB LEU A 43 -9.543 8.859 2.099 1.00 0.68 C ATOM 627 CG LEU A 43 -9.688 10.368 1.960 1.00 0.83 C ATOM 628 CD1 LEU A 43 -10.918 10.851 2.713 1.00 1.00 C ATOM 629 CD2 LEU A 43 -8.437 11.045 2.508 1.00 0.90 C ATOM 0 H LEU A 43 -9.934 7.774 -0.091 1.00 0.53 H new ATOM 0 HA LEU A 43 -7.708 8.994 1.008 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.487 8.395 1.813 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -9.378 8.625 3.151 1.00 0.68 H new ATOM 0 HG LEU A 43 -9.807 10.624 0.907 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -11.010 11.932 2.605 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -11.807 10.369 2.305 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -10.821 10.599 3.769 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -8.536 12.126 2.411 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -8.314 10.785 3.559 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -7.566 10.708 1.946 1.00 0.90 H new ATOM 641 N ALA A 44 -8.257 5.974 2.105 1.00 0.44 N ATOM 642 CA ALA A 44 -7.682 4.878 2.853 1.00 0.41 C ATOM 643 C ALA A 44 -6.303 4.524 2.311 1.00 0.35 C ATOM 644 O ALA A 44 -5.414 4.171 3.068 1.00 0.38 O ATOM 645 CB ALA A 44 -8.599 3.669 2.836 1.00 0.43 C ATOM 0 H ALA A 44 -9.104 5.732 1.591 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.569 5.196 3.889 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -8.144 2.859 3.405 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.557 3.933 3.283 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.756 3.346 1.807 1.00 0.43 H new ATOM 651 N LEU A 45 -6.114 4.652 1.007 1.00 0.34 N ATOM 652 CA LEU A 45 -4.833 4.376 0.404 1.00 0.33 C ATOM 653 C LEU A 45 -3.845 5.518 0.667 1.00 0.32 C ATOM 654 O LEU A 45 -2.677 5.272 0.919 1.00 0.36 O ATOM 655 CB LEU A 45 -4.989 4.085 -1.077 1.00 0.48 C ATOM 656 CG LEU A 45 -3.726 3.644 -1.841 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.759 2.856 -0.960 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.166 2.723 -2.887 1.00 0.37 C ATOM 0 H LEU A 45 -6.837 4.946 0.350 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.417 3.482 0.868 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -5.743 3.306 -1.191 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.380 4.981 -1.559 1.00 0.48 H new ATOM 0 HG LEU A 45 -3.220 4.536 -2.211 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -1.886 2.568 -1.545 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.445 3.475 -0.120 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -3.255 1.961 -0.585 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.303 2.382 -3.458 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.662 1.866 -2.432 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -4.862 3.234 -3.552 1.00 0.37 H new ATOM 670 N MET A 46 -4.331 6.759 0.661 1.00 0.37 N ATOM 671 CA MET A 46 -3.473 7.940 0.975 1.00 0.46 C ATOM 672 C MET A 46 -2.941 7.745 2.372 1.00 0.48 C ATOM 673 O MET A 46 -1.750 7.887 2.647 1.00 0.54 O ATOM 674 CB MET A 46 -4.293 9.244 0.968 1.00 0.59 C ATOM 675 CG MET A 46 -5.225 9.350 -0.175 1.00 0.54 C ATOM 676 SD MET A 46 -6.031 10.948 -0.298 1.00 0.89 S ATOM 677 CE MET A 46 -7.032 10.671 -1.746 1.00 1.84 C ATOM 0 H MET A 46 -5.301 6.989 0.447 1.00 0.37 H new ATOM 0 HA MET A 46 -2.682 8.017 0.229 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.860 9.312 1.896 1.00 0.59 H new ATOM 0 HB3 MET A 46 -3.610 10.093 0.949 1.00 0.59 H new ATOM 0 HG2 MET A 46 -4.679 9.156 -1.098 1.00 0.54 H new ATOM 0 HG3 MET A 46 -5.986 8.574 -0.086 1.00 0.54 H new ATOM 0 HE1 MET A 46 -7.012 11.559 -2.377 1.00 1.84 H new ATOM 0 HE2 MET A 46 -6.638 9.821 -2.303 1.00 1.84 H new ATOM 0 HE3 MET A 46 -8.059 10.463 -1.444 1.00 1.84 H new ATOM 687 N GLU A 47 -3.866 7.372 3.214 1.00 0.49 N ATOM 688 CA GLU A 47 -3.670 7.060 4.588 1.00 0.55 C ATOM 689 C GLU A 47 -2.616 5.933 4.721 1.00 0.54 C ATOM 690 O GLU A 47 -1.621 6.100 5.401 1.00 0.71 O ATOM 691 CB GLU A 47 -5.024 6.620 5.078 1.00 0.58 C ATOM 692 CG GLU A 47 -5.178 6.466 6.569 1.00 0.82 C ATOM 693 CD GLU A 47 -4.922 7.732 7.335 1.00 1.48 C ATOM 694 OE1 GLU A 47 -5.572 8.753 7.036 1.00 2.31 O ATOM 695 OE2 GLU A 47 -4.037 7.741 8.197 1.00 1.84 O ATOM 0 H GLU A 47 -4.841 7.274 2.930 1.00 0.49 H new ATOM 0 HA GLU A 47 -3.295 7.901 5.171 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.764 7.341 4.730 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -5.264 5.666 4.609 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -6.187 6.117 6.787 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -4.492 5.695 6.919 1.00 0.82 H new ATOM 702 N THR A 48 -2.851 4.823 4.017 1.00 0.42 N ATOM 703 CA THR A 48 -1.936 3.666 3.955 1.00 0.42 C ATOM 704 C THR A 48 -0.517 4.114 3.536 1.00 0.39 C ATOM 705 O THR A 48 0.471 3.802 4.211 1.00 0.41 O ATOM 706 CB THR A 48 -2.493 2.635 2.921 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.759 2.134 3.368 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.541 1.458 2.660 1.00 0.45 C ATOM 0 H THR A 48 -3.697 4.695 3.461 1.00 0.42 H new ATOM 0 HA THR A 48 -1.871 3.208 4.942 1.00 0.42 H new ATOM 0 HB THR A 48 -2.602 3.170 1.978 1.00 0.41 H new ATOM 0 HG1 THR A 48 -4.429 2.848 3.319 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.990 0.781 1.933 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.595 1.834 2.270 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.361 0.922 3.592 1.00 0.45 H new ATOM 716 N ALA A 49 -0.441 4.866 2.447 1.00 0.39 N ATOM 717 CA ALA A 49 0.820 5.331 1.892 1.00 0.40 C ATOM 718 C ALA A 49 1.581 6.198 2.902 1.00 0.42 C ATOM 719 O ALA A 49 2.745 5.931 3.200 1.00 0.41 O ATOM 720 CB ALA A 49 0.579 6.109 0.603 1.00 0.43 C ATOM 0 H ALA A 49 -1.259 5.172 1.921 1.00 0.39 H new ATOM 0 HA ALA A 49 1.431 4.457 1.667 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.533 6.450 0.200 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.088 5.464 -0.125 1.00 0.43 H new ATOM 0 HB3 ALA A 49 -0.056 6.970 0.811 1.00 0.43 H new ATOM 726 N ALA A 50 0.895 7.196 3.464 1.00 0.46 N ATOM 727 CA ALA A 50 1.495 8.113 4.444 1.00 0.51 C ATOM 728 C ALA A 50 1.908 7.367 5.714 1.00 0.49 C ATOM 729 O ALA A 50 2.937 7.671 6.339 1.00 0.49 O ATOM 730 CB ALA A 50 0.523 9.240 4.780 1.00 0.62 C ATOM 0 H ALA A 50 -0.084 7.393 3.257 1.00 0.46 H new ATOM 0 HA ALA A 50 2.392 8.544 4.000 1.00 0.51 H new ATOM 0 HB1 ALA A 50 0.981 9.911 5.507 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.283 9.796 3.874 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.391 8.819 5.200 1.00 0.62 H new ATOM 736 N ARG A 51 1.127 6.360 6.061 1.00 0.51 N ATOM 737 CA ARG A 51 1.368 5.528 7.230 1.00 0.54 C ATOM 738 C ARG A 51 2.696 4.773 7.023 1.00 0.50 C ATOM 739 O ARG A 51 3.438 4.499 7.969 1.00 0.61 O ATOM 740 CB ARG A 51 0.177 4.554 7.374 1.00 0.62 C ATOM 741 CG ARG A 51 -0.181 4.100 8.782 1.00 0.87 C ATOM 742 CD ARG A 51 0.788 3.101 9.388 1.00 1.36 C ATOM 743 NE ARG A 51 0.342 2.734 10.734 1.00 2.18 N ATOM 744 CZ ARG A 51 0.455 1.541 11.306 1.00 3.05 C ATOM 745 NH1 ARG A 51 1.113 0.572 10.698 1.00 3.48 N ATOM 746 NH2 ARG A 51 -0.083 1.333 12.498 1.00 3.91 N ATOM 0 H ARG A 51 0.296 6.092 5.533 1.00 0.51 H new ATOM 0 HA ARG A 51 1.449 6.120 8.142 1.00 0.54 H new ATOM 0 HB2 ARG A 51 -0.702 5.028 6.938 1.00 0.62 H new ATOM 0 HB3 ARG A 51 0.391 3.668 6.777 1.00 0.62 H new ATOM 0 HG2 ARG A 51 -0.233 4.975 9.430 1.00 0.87 H new ATOM 0 HG3 ARG A 51 -1.177 3.656 8.765 1.00 0.87 H new ATOM 0 HD2 ARG A 51 0.849 2.212 8.760 1.00 1.36 H new ATOM 0 HD3 ARG A 51 1.789 3.531 9.431 1.00 1.36 H new ATOM 0 HE ARG A 51 -0.100 3.468 11.287 1.00 2.18 H new ATOM 0 HH11 ARG A 51 1.537 0.738 9.785 1.00 3.48 H new ATOM 0 HH12 ARG A 51 1.198 -0.343 11.141 1.00 3.48 H new ATOM 0 HH21 ARG A 51 -0.581 2.087 12.971 1.00 3.91 H new ATOM 0 HH22 ARG A 51 0.000 0.419 12.943 1.00 3.91 H new ATOM 760 N LEU A 52 2.999 4.472 5.771 1.00 0.41 N ATOM 761 CA LEU A 52 4.241 3.813 5.423 1.00 0.39 C ATOM 762 C LEU A 52 5.380 4.830 5.329 1.00 0.36 C ATOM 763 O LEU A 52 6.522 4.524 5.711 1.00 0.38 O ATOM 764 CB LEU A 52 4.099 3.026 4.110 1.00 0.36 C ATOM 765 CG LEU A 52 3.033 1.922 4.110 1.00 0.39 C ATOM 766 CD1 LEU A 52 2.976 1.227 2.761 1.00 0.41 C ATOM 767 CD2 LEU A 52 3.285 0.913 5.228 1.00 0.48 C ATOM 0 H LEU A 52 2.395 4.677 4.975 1.00 0.41 H new ATOM 0 HA LEU A 52 4.481 3.102 6.213 1.00 0.39 H new ATOM 0 HB2 LEU A 52 3.868 3.729 3.309 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.063 2.576 3.871 1.00 0.36 H new ATOM 0 HG LEU A 52 2.066 2.391 4.294 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.213 0.448 2.785 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.728 1.954 1.987 1.00 0.41 H new ATOM 0 HD13 LEU A 52 3.945 0.779 2.541 1.00 0.41 H new ATOM 0 HD21 LEU A 52 2.514 0.143 5.203 1.00 0.48 H new ATOM 0 HD22 LEU A 52 4.263 0.452 5.089 1.00 0.48 H new ATOM 0 HD23 LEU A 52 3.258 1.423 6.191 1.00 0.48 H new ATOM 779 N GLU A 53 5.069 6.042 4.836 1.00 0.35 N ATOM 780 CA GLU A 53 6.055 7.132 4.733 1.00 0.37 C ATOM 781 C GLU A 53 6.656 7.425 6.097 1.00 0.41 C ATOM 782 O GLU A 53 7.875 7.445 6.246 1.00 0.45 O ATOM 783 CB GLU A 53 5.441 8.429 4.179 1.00 0.40 C ATOM 784 CG GLU A 53 4.830 8.330 2.795 1.00 0.44 C ATOM 785 CD GLU A 53 4.297 9.667 2.327 1.00 0.56 C ATOM 786 OE1 GLU A 53 3.269 10.126 2.844 1.00 0.91 O ATOM 787 OE2 GLU A 53 4.928 10.307 1.468 1.00 0.65 O ATOM 0 H GLU A 53 4.138 6.292 4.501 1.00 0.35 H new ATOM 0 HA GLU A 53 6.824 6.793 4.039 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.672 8.770 4.872 1.00 0.40 H new ATOM 0 HB3 GLU A 53 6.215 9.196 4.160 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.579 7.969 2.090 1.00 0.44 H new ATOM 0 HG3 GLU A 53 4.022 7.598 2.804 1.00 0.44 H new ATOM 794 N SER A 54 5.792 7.607 7.097 1.00 0.45 N ATOM 795 CA SER A 54 6.220 7.917 8.461 1.00 0.54 C ATOM 796 C SER A 54 7.036 6.758 9.077 1.00 0.52 C ATOM 797 O SER A 54 7.911 6.974 9.912 1.00 0.62 O ATOM 798 CB SER A 54 4.987 8.206 9.327 1.00 0.69 C ATOM 799 OG SER A 54 4.153 9.196 8.726 1.00 1.38 O ATOM 0 H SER A 54 4.780 7.544 6.985 1.00 0.45 H new ATOM 0 HA SER A 54 6.865 8.795 8.426 1.00 0.54 H new ATOM 0 HB2 SER A 54 4.418 7.288 9.472 1.00 0.69 H new ATOM 0 HB3 SER A 54 5.304 8.544 10.314 1.00 0.69 H new ATOM 0 HG SER A 54 3.672 8.802 7.969 1.00 1.38 H new ATOM 805 N ARG A 55 6.759 5.551 8.628 1.00 0.53 N ATOM 806 CA ARG A 55 7.388 4.356 9.169 1.00 0.62 C ATOM 807 C ARG A 55 8.775 4.089 8.561 1.00 0.57 C ATOM 808 O ARG A 55 9.698 3.701 9.271 1.00 0.68 O ATOM 809 CB ARG A 55 6.449 3.151 8.967 1.00 0.78 C ATOM 810 CG ARG A 55 6.979 1.805 9.455 1.00 0.95 C ATOM 811 CD ARG A 55 5.909 0.737 9.281 1.00 1.19 C ATOM 812 NE ARG A 55 6.366 -0.620 9.607 1.00 1.42 N ATOM 813 CZ ARG A 55 5.557 -1.625 9.952 1.00 1.79 C ATOM 814 NH1 ARG A 55 4.328 -1.360 10.408 1.00 1.97 N ATOM 815 NH2 ARG A 55 6.014 -2.878 9.964 1.00 2.41 N ATOM 0 H ARG A 55 6.092 5.367 7.878 1.00 0.53 H new ATOM 0 HA ARG A 55 7.554 4.515 10.235 1.00 0.62 H new ATOM 0 HB2 ARG A 55 5.509 3.357 9.479 1.00 0.78 H new ATOM 0 HB3 ARG A 55 6.221 3.067 7.904 1.00 0.78 H new ATOM 0 HG2 ARG A 55 7.874 1.531 8.896 1.00 0.95 H new ATOM 0 HG3 ARG A 55 7.268 1.876 10.504 1.00 0.95 H new ATOM 0 HD2 ARG A 55 5.056 0.984 9.913 1.00 1.19 H new ATOM 0 HD3 ARG A 55 5.557 0.754 8.250 1.00 1.19 H new ATOM 0 HE ARG A 55 7.368 -0.807 9.567 1.00 1.42 H new ATOM 0 HH11 ARG A 55 4.012 -0.394 10.491 1.00 1.97 H new ATOM 0 HH12 ARG A 55 3.706 -2.124 10.673 1.00 1.97 H new ATOM 0 HH21 ARG A 55 6.983 -3.070 9.709 1.00 2.41 H new ATOM 0 HH22 ARG A 55 5.395 -3.644 10.228 1.00 2.41 H new ATOM 829 N TYR A 56 8.923 4.287 7.265 1.00 0.49 N ATOM 830 CA TYR A 56 10.191 3.955 6.616 1.00 0.54 C ATOM 831 C TYR A 56 11.025 5.168 6.210 1.00 0.53 C ATOM 832 O TYR A 56 12.219 5.030 5.932 1.00 0.71 O ATOM 833 CB TYR A 56 9.969 3.010 5.427 1.00 0.57 C ATOM 834 CG TYR A 56 9.376 1.678 5.837 1.00 0.68 C ATOM 835 CD1 TYR A 56 10.142 0.743 6.521 1.00 0.94 C ATOM 836 CD2 TYR A 56 8.057 1.362 5.553 1.00 0.66 C ATOM 837 CE1 TYR A 56 9.610 -0.468 6.913 1.00 1.09 C ATOM 838 CE2 TYR A 56 7.517 0.149 5.940 1.00 0.82 C ATOM 839 CZ TYR A 56 8.298 -0.760 6.620 1.00 1.02 C ATOM 840 OH TYR A 56 7.759 -1.971 7.011 1.00 1.20 O ATOM 0 H TYR A 56 8.205 4.666 6.648 1.00 0.49 H new ATOM 0 HA TYR A 56 10.782 3.440 7.374 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.307 3.490 4.706 1.00 0.57 H new ATOM 0 HB3 TYR A 56 10.920 2.839 4.922 1.00 0.57 H new ATOM 0 HD1 TYR A 56 11.173 0.968 6.750 1.00 0.94 H new ATOM 0 HD2 TYR A 56 7.442 2.073 5.022 1.00 0.66 H new ATOM 0 HE1 TYR A 56 10.220 -1.182 7.446 1.00 1.09 H new ATOM 0 HE2 TYR A 56 6.488 -0.085 5.710 1.00 0.82 H new ATOM 0 HH TYR A 56 6.822 -2.019 6.728 1.00 1.20 H new ATOM 850 N GLY A 57 10.419 6.337 6.189 1.00 0.44 N ATOM 851 CA GLY A 57 11.145 7.533 5.799 1.00 0.45 C ATOM 852 C GLY A 57 11.177 7.711 4.296 1.00 0.45 C ATOM 853 O GLY A 57 12.248 7.910 3.703 1.00 0.60 O ATOM 0 H GLY A 57 9.440 6.487 6.433 1.00 0.44 H new ATOM 0 HA2 GLY A 57 10.680 8.405 6.258 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.165 7.478 6.180 1.00 0.45 H new ATOM 857 N VAL A 58 10.007 7.633 3.679 1.00 0.37 N ATOM 858 CA VAL A 58 9.872 7.774 2.228 1.00 0.39 C ATOM 859 C VAL A 58 8.880 8.895 1.907 1.00 0.40 C ATOM 860 O VAL A 58 8.360 9.533 2.827 1.00 0.42 O ATOM 861 CB VAL A 58 9.405 6.448 1.527 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.396 5.326 1.738 1.00 0.49 C ATOM 863 CG2 VAL A 58 8.035 6.012 2.029 1.00 0.38 C ATOM 0 H VAL A 58 9.124 7.471 4.164 1.00 0.37 H new ATOM 0 HA VAL A 58 10.861 8.015 1.839 1.00 0.39 H new ATOM 0 HB VAL A 58 9.343 6.663 0.460 1.00 0.41 H new ATOM 0 HG11 VAL A 58 10.038 4.426 1.238 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.363 5.611 1.323 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.503 5.131 2.805 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.739 5.092 1.526 1.00 0.38 H new ATOM 0 HG22 VAL A 58 8.080 5.839 3.104 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.304 6.793 1.817 1.00 0.38 H new ATOM 873 N SER A 59 8.621 9.144 0.635 1.00 0.46 N ATOM 874 CA SER A 59 7.634 10.123 0.228 1.00 0.56 C ATOM 875 C SER A 59 6.962 9.734 -1.094 1.00 0.54 C ATOM 876 O SER A 59 7.610 9.647 -2.145 1.00 0.61 O ATOM 877 CB SER A 59 8.252 11.523 0.139 1.00 0.79 C ATOM 878 OG SER A 59 8.800 11.909 1.398 1.00 1.33 O ATOM 0 H SER A 59 9.088 8.674 -0.140 1.00 0.46 H new ATOM 0 HA SER A 59 6.859 10.143 0.994 1.00 0.56 H new ATOM 0 HB2 SER A 59 9.032 11.535 -0.622 1.00 0.79 H new ATOM 0 HB3 SER A 59 7.494 12.243 -0.170 1.00 0.79 H new ATOM 0 HG SER A 59 9.192 12.804 1.324 1.00 1.33 H new ATOM 884 N ILE A 60 5.674 9.471 -1.020 1.00 0.48 N ATOM 885 CA ILE A 60 4.873 9.135 -2.178 1.00 0.46 C ATOM 886 C ILE A 60 3.774 10.190 -2.329 1.00 0.50 C ATOM 887 O ILE A 60 2.946 10.369 -1.418 1.00 0.58 O ATOM 888 CB ILE A 60 4.215 7.695 -2.110 1.00 0.44 C ATOM 889 CG1 ILE A 60 5.258 6.550 -2.149 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.201 7.497 -3.234 1.00 0.43 C ATOM 891 CD1 ILE A 60 6.091 6.382 -0.901 1.00 1.13 C ATOM 0 H ILE A 60 5.149 9.485 -0.146 1.00 0.48 H new ATOM 0 HA ILE A 60 5.543 9.121 -3.038 1.00 0.46 H new ATOM 0 HB ILE A 60 3.707 7.647 -1.147 1.00 0.44 H new ATOM 0 HG12 ILE A 60 4.735 5.613 -2.344 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.928 6.722 -2.991 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.767 6.500 -3.161 1.00 0.43 H new ATOM 0 HG22 ILE A 60 2.412 8.244 -3.148 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.700 7.606 -4.197 1.00 0.43 H new ATOM 0 HD11 ILE A 60 6.787 5.554 -1.037 1.00 1.13 H new ATOM 0 HD12 ILE A 60 6.650 7.298 -0.711 1.00 1.13 H new ATOM 0 HD13 ILE A 60 5.438 6.172 -0.053 1.00 1.13 H new ATOM 903 N PRO A 61 3.789 10.950 -3.444 1.00 0.52 N ATOM 904 CA PRO A 61 2.774 11.975 -3.721 1.00 0.58 C ATOM 905 C PRO A 61 1.355 11.387 -3.782 1.00 0.52 C ATOM 906 O PRO A 61 1.152 10.257 -4.264 1.00 0.45 O ATOM 907 CB PRO A 61 3.189 12.539 -5.083 1.00 0.63 C ATOM 908 CG PRO A 61 4.635 12.205 -5.201 1.00 0.65 C ATOM 909 CD PRO A 61 4.804 10.891 -4.504 1.00 0.56 C ATOM 0 HA PRO A 61 2.733 12.730 -2.936 1.00 0.58 H new ATOM 0 HB2 PRO A 61 2.611 12.090 -5.891 1.00 0.63 H new ATOM 0 HB3 PRO A 61 3.025 13.615 -5.133 1.00 0.63 H new ATOM 0 HG2 PRO A 61 4.937 12.136 -6.246 1.00 0.65 H new ATOM 0 HG3 PRO A 61 5.254 12.975 -4.741 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.636 10.051 -5.178 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.808 10.776 -4.096 1.00 0.56 H new ATOM 917 N ASP A 62 0.397 12.182 -3.325 1.00 0.64 N ATOM 918 CA ASP A 62 -1.022 11.803 -3.169 1.00 0.72 C ATOM 919 C ASP A 62 -1.590 11.138 -4.407 1.00 0.61 C ATOM 920 O ASP A 62 -2.117 10.018 -4.347 1.00 0.65 O ATOM 921 CB ASP A 62 -1.879 13.042 -2.886 1.00 1.00 C ATOM 922 CG ASP A 62 -1.409 13.842 -1.716 1.00 1.28 C ATOM 923 OD1 ASP A 62 -0.527 14.709 -1.907 1.00 1.40 O ATOM 924 OD2 ASP A 62 -1.930 13.665 -0.611 1.00 1.97 O ATOM 0 H ASP A 62 0.581 13.144 -3.040 1.00 0.64 H new ATOM 0 HA ASP A 62 -1.052 11.098 -2.338 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -1.886 13.678 -3.771 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -2.908 12.729 -2.711 1.00 1.00 H new ATOM 929 N ASP A 63 -1.455 11.807 -5.539 1.00 0.57 N ATOM 930 CA ASP A 63 -2.064 11.334 -6.779 1.00 0.62 C ATOM 931 C ASP A 63 -1.364 10.094 -7.319 1.00 0.52 C ATOM 932 O ASP A 63 -1.935 9.368 -8.116 1.00 0.65 O ATOM 933 CB ASP A 63 -2.112 12.430 -7.863 1.00 0.78 C ATOM 934 CG ASP A 63 -0.771 12.738 -8.495 1.00 1.29 C ATOM 935 OD1 ASP A 63 0.037 13.465 -7.885 1.00 1.94 O ATOM 936 OD2 ASP A 63 -0.517 12.282 -9.626 1.00 1.87 O ATOM 0 H ASP A 63 -0.931 12.678 -5.630 1.00 0.57 H new ATOM 0 HA ASP A 63 -3.090 11.067 -6.526 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -2.807 12.122 -8.644 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -2.512 13.343 -7.423 1.00 0.78 H new ATOM 941 N VAL A 64 -0.155 9.830 -6.850 1.00 0.42 N ATOM 942 CA VAL A 64 0.608 8.683 -7.318 1.00 0.39 C ATOM 943 C VAL A 64 0.060 7.402 -6.693 1.00 0.33 C ATOM 944 O VAL A 64 -0.034 6.370 -7.350 1.00 0.37 O ATOM 945 CB VAL A 64 2.130 8.832 -7.021 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.912 7.623 -7.521 1.00 0.55 C ATOM 947 CG2 VAL A 64 2.666 10.099 -7.665 1.00 0.56 C ATOM 0 H VAL A 64 0.320 10.394 -6.145 1.00 0.42 H new ATOM 0 HA VAL A 64 0.498 8.630 -8.401 1.00 0.39 H new ATOM 0 HB VAL A 64 2.257 8.895 -5.940 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.971 7.757 -7.299 1.00 0.55 H new ATOM 0 HG12 VAL A 64 2.548 6.724 -7.024 1.00 0.55 H new ATOM 0 HG13 VAL A 64 2.777 7.522 -8.598 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.731 10.193 -7.451 1.00 0.56 H new ATOM 0 HG22 VAL A 64 2.515 10.051 -8.743 1.00 0.56 H new ATOM 0 HG23 VAL A 64 2.137 10.963 -7.263 1.00 0.56 H new ATOM 957 N ALA A 65 -0.364 7.497 -5.440 1.00 0.35 N ATOM 958 CA ALA A 65 -0.918 6.357 -4.736 1.00 0.38 C ATOM 959 C ALA A 65 -2.284 5.998 -5.311 1.00 0.43 C ATOM 960 O ALA A 65 -2.727 4.864 -5.230 1.00 0.47 O ATOM 961 CB ALA A 65 -1.029 6.664 -3.259 1.00 0.44 C ATOM 0 H ALA A 65 -0.333 8.357 -4.892 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.253 5.503 -4.865 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -1.446 5.802 -2.739 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.040 6.886 -2.858 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -1.681 7.525 -3.114 1.00 0.44 H new ATOM 967 N GLY A 66 -2.919 6.978 -5.933 1.00 0.49 N ATOM 968 CA GLY A 66 -4.220 6.770 -6.524 1.00 0.59 C ATOM 969 C GLY A 66 -4.131 6.172 -7.918 1.00 0.53 C ATOM 970 O GLY A 66 -5.156 5.891 -8.548 1.00 0.69 O ATOM 0 H GLY A 66 -2.550 7.923 -6.039 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -4.806 6.110 -5.884 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -4.751 7.721 -6.572 1.00 0.59 H new ATOM 974 N ARG A 67 -2.911 5.967 -8.397 1.00 0.45 N ATOM 975 CA ARG A 67 -2.690 5.420 -9.720 1.00 0.45 C ATOM 976 C ARG A 67 -2.663 3.904 -9.680 1.00 0.39 C ATOM 977 O ARG A 67 -2.788 3.248 -10.723 1.00 0.51 O ATOM 978 CB ARG A 67 -1.371 5.927 -10.310 1.00 0.56 C ATOM 979 CG ARG A 67 -1.269 7.430 -10.423 1.00 1.08 C ATOM 980 CD ARG A 67 0.102 7.857 -10.906 1.00 1.48 C ATOM 981 NE ARG A 67 0.290 9.314 -10.839 1.00 2.15 N ATOM 982 CZ ARG A 67 1.432 9.961 -11.145 1.00 2.93 C ATOM 983 NH1 ARG A 67 2.508 9.284 -11.552 1.00 3.24 N ATOM 984 NH2 ARG A 67 1.503 11.273 -11.002 1.00 3.83 N ATOM 0 H ARG A 67 -2.056 6.175 -7.881 1.00 0.45 H new ATOM 0 HA ARG A 67 -3.516 5.750 -10.350 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -0.549 5.566 -9.692 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -1.240 5.492 -11.301 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -2.030 7.797 -11.112 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -1.472 7.884 -9.453 1.00 1.08 H new ATOM 0 HD2 ARG A 67 0.866 7.366 -10.303 1.00 1.48 H new ATOM 0 HD3 ARG A 67 0.243 7.522 -11.934 1.00 1.48 H new ATOM 0 HE ARG A 67 -0.505 9.878 -10.538 1.00 2.15 H new ATOM 0 HH11 ARG A 67 2.470 8.268 -11.634 1.00 3.24 H new ATOM 0 HH12 ARG A 67 3.368 9.783 -11.781 1.00 3.24 H new ATOM 0 HH21 ARG A 67 0.695 11.793 -10.661 1.00 3.83 H new ATOM 0 HH22 ARG A 67 2.366 11.765 -11.233 1.00 3.83 H new ATOM 998 N VAL A 68 -2.527 3.340 -8.496 1.00 0.35 N ATOM 999 CA VAL A 68 -2.403 1.902 -8.386 1.00 0.34 C ATOM 1000 C VAL A 68 -3.775 1.226 -8.307 1.00 0.39 C ATOM 1001 O VAL A 68 -4.811 1.902 -8.341 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.467 1.455 -7.221 1.00 0.32 C ATOM 1003 CG1 VAL A 68 -0.114 2.113 -7.363 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -2.053 1.756 -5.852 1.00 0.36 C ATOM 0 H VAL A 68 -2.500 3.846 -7.611 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.919 1.565 -9.303 1.00 0.34 H new ATOM 0 HB VAL A 68 -1.361 0.373 -7.292 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.533 1.795 -6.545 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.334 1.823 -8.314 1.00 0.33 H new ATOM 0 HG13 VAL A 68 -0.231 3.196 -7.333 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.360 1.424 -5.079 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -2.218 2.829 -5.755 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -3.002 1.231 -5.739 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.791 -0.076 -8.247 1.00 0.40 N ATOM 1015 CA ASP A 69 -5.039 -0.847 -8.165 1.00 0.49 C ATOM 1016 C ASP A 69 -4.797 -2.088 -7.380 1.00 0.40 C ATOM 1017 O ASP A 69 -5.624 -2.518 -6.585 1.00 0.39 O ATOM 1018 CB ASP A 69 -5.485 -1.251 -9.563 1.00 0.68 C ATOM 1019 CG ASP A 69 -6.782 -2.021 -9.606 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -7.861 -1.429 -9.376 1.00 1.17 O ATOM 1021 OD2 ASP A 69 -6.749 -3.213 -9.940 1.00 0.86 O ATOM 0 H ASP A 69 -2.948 -0.650 -8.252 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.805 -0.235 -7.689 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -5.590 -0.353 -10.171 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -4.702 -1.856 -10.020 1.00 0.68 H new ATOM 1026 N THR A 70 -3.653 -2.649 -7.612 1.00 0.38 N ATOM 1027 CA THR A 70 -3.222 -3.845 -6.979 1.00 0.35 C ATOM 1028 C THR A 70 -2.075 -3.512 -6.002 1.00 0.33 C ATOM 1029 O THR A 70 -1.280 -2.578 -6.261 1.00 0.33 O ATOM 1030 CB THR A 70 -2.756 -4.857 -8.059 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.645 -4.312 -8.787 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.888 -5.129 -9.047 1.00 0.47 C ATOM 0 H THR A 70 -2.973 -2.270 -8.271 1.00 0.38 H new ATOM 0 HA THR A 70 -4.041 -4.294 -6.416 1.00 0.35 H new ATOM 0 HB THR A 70 -2.466 -5.783 -7.562 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.941 -3.530 -9.299 1.00 0.48 H new ATOM 0 HG21 THR A 70 -3.550 -5.840 -9.801 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.744 -5.544 -8.514 1.00 0.47 H new ATOM 0 HG23 THR A 70 -4.179 -4.197 -9.532 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.970 -4.230 -4.868 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.947 -3.975 -3.842 1.00 0.33 C ATOM 1042 C PRO A 71 0.486 -4.018 -4.384 1.00 0.29 C ATOM 1043 O PRO A 71 1.358 -3.301 -3.894 1.00 0.28 O ATOM 1044 CB PRO A 71 -1.164 -5.099 -2.830 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.589 -5.474 -3.004 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.856 -5.339 -4.471 1.00 0.39 C ATOM 0 HA PRO A 71 -1.051 -2.973 -3.426 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.503 -5.944 -3.025 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -0.962 -4.764 -1.813 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.772 -6.493 -2.663 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -3.241 -4.821 -2.424 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.621 -6.257 -5.010 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.903 -5.111 -4.672 1.00 0.39 H new ATOM 1054 N ARG A 72 0.716 -4.812 -5.421 1.00 0.31 N ATOM 1055 CA ARG A 72 2.055 -4.940 -5.993 1.00 0.31 C ATOM 1056 C ARG A 72 2.548 -3.649 -6.640 1.00 0.29 C ATOM 1057 O ARG A 72 3.753 -3.395 -6.685 1.00 0.31 O ATOM 1058 CB ARG A 72 2.153 -6.113 -6.968 1.00 0.36 C ATOM 1059 CG ARG A 72 1.199 -6.062 -8.141 1.00 0.48 C ATOM 1060 CD ARG A 72 1.421 -7.245 -9.056 1.00 0.58 C ATOM 1061 NE ARG A 72 2.775 -7.239 -9.639 1.00 1.01 N ATOM 1062 CZ ARG A 72 3.448 -8.318 -10.062 1.00 1.40 C ATOM 1063 NH1 ARG A 72 2.997 -9.540 -9.836 1.00 1.35 N ATOM 1064 NH2 ARG A 72 4.594 -8.167 -10.692 1.00 2.47 N ATOM 0 H ARG A 72 0.001 -5.374 -5.882 1.00 0.31 H new ATOM 0 HA ARG A 72 2.718 -5.148 -5.153 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.172 -6.160 -7.352 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.976 -7.037 -6.417 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.170 -6.061 -7.781 1.00 0.48 H new ATOM 0 HG3 ARG A 72 1.343 -5.134 -8.695 1.00 0.48 H new ATOM 0 HD2 ARG A 72 1.269 -8.169 -8.499 1.00 0.58 H new ATOM 0 HD3 ARG A 72 0.681 -7.230 -9.856 1.00 0.58 H new ATOM 0 HE ARG A 72 3.240 -6.335 -9.728 1.00 1.01 H new ATOM 0 HH11 ARG A 72 2.121 -9.675 -9.331 1.00 1.35 H new ATOM 0 HH12 ARG A 72 3.525 -10.348 -10.167 1.00 1.35 H new ATOM 0 HH21 ARG A 72 4.966 -7.232 -10.856 1.00 2.47 H new ATOM 0 HH22 ARG A 72 5.110 -8.985 -11.016 1.00 2.47 H new ATOM 1078 N GLU A 73 1.626 -2.831 -7.117 1.00 0.28 N ATOM 1079 CA GLU A 73 1.981 -1.560 -7.723 1.00 0.28 C ATOM 1080 C GLU A 73 2.382 -0.584 -6.621 1.00 0.25 C ATOM 1081 O GLU A 73 3.363 0.146 -6.739 1.00 0.25 O ATOM 1082 CB GLU A 73 0.796 -1.011 -8.510 1.00 0.33 C ATOM 1083 CG GLU A 73 0.327 -1.903 -9.640 1.00 0.45 C ATOM 1084 CD GLU A 73 -1.022 -1.489 -10.168 1.00 1.15 C ATOM 1085 OE1 GLU A 73 -2.018 -1.752 -9.487 1.00 2.06 O ATOM 1086 OE2 GLU A 73 -1.105 -0.901 -11.262 1.00 1.24 O ATOM 0 H GLU A 73 0.625 -3.025 -7.096 1.00 0.28 H new ATOM 0 HA GLU A 73 2.816 -1.697 -8.409 1.00 0.28 H new ATOM 0 HB2 GLU A 73 -0.035 -0.847 -7.824 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.067 -0.038 -8.920 1.00 0.33 H new ATOM 0 HG2 GLU A 73 1.056 -1.875 -10.449 1.00 0.45 H new ATOM 0 HG3 GLU A 73 0.278 -2.934 -9.290 1.00 0.45 H new ATOM 1093 N LEU A 74 1.630 -0.626 -5.524 1.00 0.27 N ATOM 1094 CA LEU A 74 1.872 0.236 -4.365 1.00 0.27 C ATOM 1095 C LEU A 74 3.223 -0.127 -3.772 1.00 0.25 C ATOM 1096 O LEU A 74 4.039 0.735 -3.457 1.00 0.25 O ATOM 1097 CB LEU A 74 0.773 -0.007 -3.308 1.00 0.30 C ATOM 1098 CG LEU A 74 0.565 1.075 -2.191 1.00 0.34 C ATOM 1099 CD1 LEU A 74 1.681 1.079 -1.167 1.00 0.98 C ATOM 1100 CD2 LEU A 74 0.415 2.459 -2.815 1.00 1.00 C ATOM 0 H LEU A 74 0.836 -1.257 -5.411 1.00 0.27 H new ATOM 0 HA LEU A 74 1.859 1.283 -4.666 1.00 0.27 H new ATOM 0 HB2 LEU A 74 -0.174 -0.128 -3.834 1.00 0.30 H new ATOM 0 HB3 LEU A 74 0.988 -0.956 -2.816 1.00 0.30 H new ATOM 0 HG LEU A 74 -0.351 0.813 -1.662 1.00 0.34 H new ATOM 0 HD11 LEU A 74 1.485 1.847 -0.418 1.00 0.98 H new ATOM 0 HD12 LEU A 74 1.733 0.104 -0.682 1.00 0.98 H new ATOM 0 HD13 LEU A 74 2.629 1.289 -1.663 1.00 0.98 H new ATOM 0 HD21 LEU A 74 0.271 3.199 -2.028 1.00 1.00 H new ATOM 0 HD22 LEU A 74 1.314 2.702 -3.382 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -0.447 2.466 -3.482 1.00 1.00 H new ATOM 1112 N LEU A 75 3.437 -1.418 -3.641 1.00 0.29 N ATOM 1113 CA LEU A 75 4.641 -1.971 -3.094 1.00 0.34 C ATOM 1114 C LEU A 75 5.866 -1.530 -3.894 1.00 0.29 C ATOM 1115 O LEU A 75 6.918 -1.222 -3.321 1.00 0.30 O ATOM 1116 CB LEU A 75 4.522 -3.472 -3.118 1.00 0.49 C ATOM 1117 CG LEU A 75 5.736 -4.230 -2.685 1.00 0.42 C ATOM 1118 CD1 LEU A 75 5.999 -4.063 -1.194 1.00 0.43 C ATOM 1119 CD2 LEU A 75 5.628 -5.674 -3.096 1.00 0.90 C ATOM 0 H LEU A 75 2.756 -2.124 -3.921 1.00 0.29 H new ATOM 0 HA LEU A 75 4.771 -1.614 -2.073 1.00 0.34 H new ATOM 0 HB2 LEU A 75 3.689 -3.761 -2.477 1.00 0.49 H new ATOM 0 HB3 LEU A 75 4.267 -3.781 -4.132 1.00 0.49 H new ATOM 0 HG LEU A 75 6.604 -3.811 -3.193 1.00 0.42 H new ATOM 0 HD11 LEU A 75 6.889 -4.628 -0.916 1.00 0.43 H new ATOM 0 HD12 LEU A 75 6.154 -3.008 -0.968 1.00 0.43 H new ATOM 0 HD13 LEU A 75 5.143 -4.433 -0.630 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.520 -6.212 -2.773 1.00 0.90 H new ATOM 0 HD22 LEU A 75 4.748 -6.119 -2.632 1.00 0.90 H new ATOM 0 HD23 LEU A 75 5.538 -5.738 -4.180 1.00 0.90 H new ATOM 1131 N ASP A 76 5.713 -1.479 -5.210 1.00 0.29 N ATOM 1132 CA ASP A 76 6.796 -1.067 -6.098 1.00 0.33 C ATOM 1133 C ASP A 76 7.141 0.381 -5.861 1.00 0.29 C ATOM 1134 O ASP A 76 8.312 0.753 -5.837 1.00 0.33 O ATOM 1135 CB ASP A 76 6.439 -1.289 -7.573 1.00 0.40 C ATOM 1136 CG ASP A 76 7.534 -0.809 -8.510 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.507 -1.565 -8.759 1.00 0.70 O ATOM 1138 OD2 ASP A 76 7.450 0.329 -9.012 1.00 0.63 O ATOM 0 H ASP A 76 4.846 -1.719 -5.690 1.00 0.29 H new ATOM 0 HA ASP A 76 7.663 -1.687 -5.870 1.00 0.33 H new ATOM 0 HB2 ASP A 76 6.256 -2.350 -7.745 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.512 -0.765 -7.803 1.00 0.40 H new ATOM 1143 N LEU A 77 6.112 1.189 -5.656 1.00 0.25 N ATOM 1144 CA LEU A 77 6.283 2.596 -5.357 1.00 0.25 C ATOM 1145 C LEU A 77 7.075 2.766 -4.060 1.00 0.26 C ATOM 1146 O LEU A 77 8.029 3.557 -3.998 1.00 0.32 O ATOM 1147 CB LEU A 77 4.920 3.285 -5.243 1.00 0.26 C ATOM 1148 CG LEU A 77 4.034 3.259 -6.497 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.684 3.904 -6.206 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.719 3.964 -7.661 1.00 0.38 C ATOM 0 H LEU A 77 5.139 0.886 -5.693 1.00 0.25 H new ATOM 0 HA LEU A 77 6.840 3.062 -6.170 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.369 2.819 -4.426 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.086 4.325 -4.963 1.00 0.26 H new ATOM 0 HG LEU A 77 3.872 2.218 -6.778 1.00 0.31 H new ATOM 0 HD11 LEU A 77 2.067 3.878 -7.104 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.184 3.357 -5.407 1.00 0.35 H new ATOM 0 HD13 LEU A 77 2.834 4.939 -5.899 1.00 0.35 H new ATOM 0 HD21 LEU A 77 4.072 3.932 -8.537 1.00 0.38 H new ATOM 0 HD22 LEU A 77 4.916 5.002 -7.393 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.660 3.463 -7.887 1.00 0.38 H new ATOM 1162 N ILE A 78 6.682 1.999 -3.046 1.00 0.25 N ATOM 1163 CA ILE A 78 7.334 2.012 -1.743 1.00 0.29 C ATOM 1164 C ILE A 78 8.782 1.561 -1.875 1.00 0.34 C ATOM 1165 O ILE A 78 9.678 2.348 -1.625 1.00 0.40 O ATOM 1166 CB ILE A 78 6.605 1.097 -0.716 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.147 1.535 -0.533 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.334 1.106 0.632 1.00 0.43 C ATOM 1169 CD1 ILE A 78 4.968 2.965 -0.038 1.00 0.46 C ATOM 0 H ILE A 78 5.899 1.349 -3.107 1.00 0.25 H new ATOM 0 HA ILE A 78 7.293 3.037 -1.374 1.00 0.29 H new ATOM 0 HB ILE A 78 6.613 0.080 -1.108 1.00 0.33 H new ATOM 0 HG12 ILE A 78 4.627 1.427 -1.485 1.00 0.36 H new ATOM 0 HG13 ILE A 78 4.664 0.858 0.172 1.00 0.36 H new ATOM 0 HG21 ILE A 78 6.808 0.460 1.335 1.00 0.43 H new ATOM 0 HG22 ILE A 78 8.352 0.742 0.497 1.00 0.43 H new ATOM 0 HG23 ILE A 78 7.361 2.123 1.024 1.00 0.43 H new ATOM 0 HD11 ILE A 78 3.905 3.185 0.061 1.00 0.46 H new ATOM 0 HD12 ILE A 78 5.454 3.078 0.931 1.00 0.46 H new ATOM 0 HD13 ILE A 78 5.416 3.656 -0.752 1.00 0.46 H new ATOM 1181 N ASN A 79 9.011 0.296 -2.278 1.00 0.37 N ATOM 1182 CA ASN A 79 10.380 -0.242 -2.409 1.00 0.46 C ATOM 1183 C ASN A 79 11.252 0.572 -3.346 1.00 0.40 C ATOM 1184 O ASN A 79 12.470 0.612 -3.177 1.00 0.45 O ATOM 1185 CB ASN A 79 10.425 -1.718 -2.836 1.00 0.62 C ATOM 1186 CG ASN A 79 9.946 -2.685 -1.777 1.00 0.84 C ATOM 1187 OD1 ASN A 79 9.951 -2.375 -0.582 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.672 -3.896 -2.180 1.00 0.56 N ATOM 0 H ASN A 79 8.274 -0.367 -2.517 1.00 0.37 H new ATOM 0 HA ASN A 79 10.784 -0.168 -1.399 1.00 0.46 H new ATOM 0 HB2 ASN A 79 9.815 -1.845 -3.730 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.448 -1.974 -3.110 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.452 -4.623 -1.499 1.00 0.56 H new ATOM 0 HD22 ASN A 79 9.677 -4.115 -3.176 1.00 0.56 H new ATOM 1195 N GLY A 80 10.641 1.207 -4.334 1.00 0.38 N ATOM 1196 CA GLY A 80 11.380 2.052 -5.244 1.00 0.41 C ATOM 1197 C GLY A 80 11.960 3.247 -4.535 1.00 0.45 C ATOM 1198 O GLY A 80 13.131 3.577 -4.706 1.00 0.55 O ATOM 0 H GLY A 80 9.640 1.151 -4.521 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.182 1.477 -5.707 1.00 0.41 H new ATOM 0 HA3 GLY A 80 10.723 2.387 -6.047 1.00 0.41 H new ATOM 1202 N ALA A 81 11.153 3.867 -3.704 1.00 0.44 N ATOM 1203 CA ALA A 81 11.588 5.014 -2.944 1.00 0.51 C ATOM 1204 C ALA A 81 12.486 4.567 -1.806 1.00 0.54 C ATOM 1205 O ALA A 81 13.523 5.169 -1.549 1.00 0.69 O ATOM 1206 CB ALA A 81 10.392 5.776 -2.409 1.00 0.52 C ATOM 0 H ALA A 81 10.185 3.592 -3.538 1.00 0.44 H new ATOM 0 HA ALA A 81 12.153 5.679 -3.597 1.00 0.51 H new ATOM 0 HB1 ALA A 81 10.736 6.638 -1.838 1.00 0.52 H new ATOM 0 HB2 ALA A 81 9.774 6.115 -3.241 1.00 0.52 H new ATOM 0 HB3 ALA A 81 9.804 5.124 -1.763 1.00 0.52 H new ATOM 1212 N LEU A 82 12.099 3.465 -1.171 1.00 0.44 N ATOM 1213 CA LEU A 82 12.787 2.897 -0.050 1.00 0.50 C ATOM 1214 C LEU A 82 14.208 2.475 -0.417 1.00 0.60 C ATOM 1215 O LEU A 82 15.095 2.520 0.419 1.00 0.70 O ATOM 1216 CB LEU A 82 11.981 1.705 0.482 1.00 0.48 C ATOM 1217 CG LEU A 82 12.563 0.976 1.675 1.00 0.58 C ATOM 1218 CD1 LEU A 82 12.705 1.909 2.875 1.00 0.60 C ATOM 1219 CD2 LEU A 82 11.726 -0.239 2.028 1.00 0.66 C ATOM 0 H LEU A 82 11.270 2.937 -1.442 1.00 0.44 H new ATOM 0 HA LEU A 82 12.874 3.654 0.729 1.00 0.50 H new ATOM 0 HB2 LEU A 82 10.985 2.059 0.750 1.00 0.48 H new ATOM 0 HB3 LEU A 82 11.857 0.988 -0.329 1.00 0.48 H new ATOM 0 HG LEU A 82 13.560 0.631 1.402 1.00 0.58 H new ATOM 0 HD11 LEU A 82 13.125 1.358 3.716 1.00 0.60 H new ATOM 0 HD12 LEU A 82 13.366 2.736 2.616 1.00 0.60 H new ATOM 0 HD13 LEU A 82 11.725 2.300 3.150 1.00 0.60 H new ATOM 0 HD21 LEU A 82 12.164 -0.746 2.888 1.00 0.66 H new ATOM 0 HD22 LEU A 82 10.711 0.076 2.271 1.00 0.66 H new ATOM 0 HD23 LEU A 82 11.700 -0.922 1.179 1.00 0.66 H new ATOM 1231 N ALA A 83 14.417 2.104 -1.672 1.00 0.64 N ATOM 1232 CA ALA A 83 15.732 1.717 -2.157 1.00 0.79 C ATOM 1233 C ALA A 83 16.741 2.851 -1.946 1.00 0.95 C ATOM 1234 O ALA A 83 17.825 2.635 -1.397 1.00 1.13 O ATOM 1235 CB ALA A 83 15.660 1.318 -3.629 1.00 0.86 C ATOM 0 H ALA A 83 13.683 2.063 -2.379 1.00 0.64 H new ATOM 0 HA ALA A 83 16.072 0.853 -1.585 1.00 0.79 H new ATOM 0 HB1 ALA A 83 16.652 1.031 -3.977 1.00 0.86 H new ATOM 0 HB2 ALA A 83 14.977 0.476 -3.745 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.299 2.162 -4.217 1.00 0.86 H new ATOM 1241 N GLU A 84 16.359 4.060 -2.320 1.00 0.95 N ATOM 1242 CA GLU A 84 17.219 5.199 -2.168 1.00 1.17 C ATOM 1243 C GLU A 84 17.004 5.918 -0.831 1.00 1.25 C ATOM 1244 O GLU A 84 17.784 6.799 -0.462 1.00 1.52 O ATOM 1245 CB GLU A 84 17.032 6.179 -3.321 1.00 1.23 C ATOM 1246 CG GLU A 84 17.691 5.790 -4.642 1.00 1.40 C ATOM 1247 CD GLU A 84 17.089 4.585 -5.322 1.00 1.80 C ATOM 1248 OE1 GLU A 84 16.052 4.734 -5.984 1.00 2.17 O ATOM 1249 OE2 GLU A 84 17.695 3.489 -5.287 1.00 2.47 O ATOM 0 H GLU A 84 15.450 4.269 -2.733 1.00 0.95 H new ATOM 0 HA GLU A 84 18.242 4.822 -2.180 1.00 1.17 H new ATOM 0 HB2 GLU A 84 15.963 6.306 -3.494 1.00 1.23 H new ATOM 0 HB3 GLU A 84 17.423 7.149 -3.014 1.00 1.23 H new ATOM 0 HG2 GLU A 84 17.635 6.639 -5.323 1.00 1.40 H new ATOM 0 HG3 GLU A 84 18.748 5.596 -4.461 1.00 1.40 H new ATOM 1256 N ALA A 85 15.950 5.578 -0.127 1.00 1.13 N ATOM 1257 CA ALA A 85 15.663 6.210 1.157 1.00 1.31 C ATOM 1258 C ALA A 85 16.330 5.475 2.312 1.00 1.69 C ATOM 1259 O ALA A 85 16.439 6.014 3.426 1.00 2.07 O ATOM 1260 CB ALA A 85 14.162 6.335 1.392 1.00 1.28 C ATOM 0 H ALA A 85 15.274 4.870 -0.413 1.00 1.13 H new ATOM 0 HA ALA A 85 16.085 7.214 1.117 1.00 1.31 H new ATOM 0 HB1 ALA A 85 13.983 6.810 2.357 1.00 1.28 H new ATOM 0 HB2 ALA A 85 13.719 6.941 0.602 1.00 1.28 H new ATOM 0 HB3 ALA A 85 13.709 5.344 1.386 1.00 1.28 H new ATOM 1266 N ALA A 86 16.741 4.251 2.072 1.00 1.91 N ATOM 1267 CA ALA A 86 17.442 3.483 3.074 1.00 2.53 C ATOM 1268 C ALA A 86 18.931 3.744 2.953 1.00 2.95 C ATOM 1269 O ALA A 86 19.659 2.914 2.355 1.00 3.39 O ATOM 1270 CB ALA A 86 17.130 1.997 2.943 1.00 3.21 C ATOM 1271 OXT ALA A 86 19.392 4.807 3.440 1.00 3.44 O ATOM 0 H ALA A 86 16.601 3.764 1.187 1.00 1.91 H new ATOM 0 HA ALA A 86 17.106 3.795 4.063 1.00 2.53 H new ATOM 0 HB1 ALA A 86 17.671 1.443 3.710 1.00 3.21 H new ATOM 0 HB2 ALA A 86 16.059 1.838 3.068 1.00 3.21 H new ATOM 0 HB3 ALA A 86 17.436 1.646 1.957 1.00 3.21 H new TER 1277 ALA A 86 HETATM 1278 P24 SDO A 101 -11.534 8.817 -3.137 1.00 1.71 P HETATM 1279 O26 SDO A 101 -12.847 8.665 -2.312 1.00 2.14 O HETATM 1280 O23 SDO A 101 -11.481 8.220 -4.567 1.00 2.28 O HETATM 1281 O27 SDO A 101 -11.173 10.313 -3.221 1.00 1.72 O HETATM 1282 C28 SDO A 101 -10.931 11.050 -1.973 1.00 1.71 C HETATM 1283 C29 SDO A 101 -10.670 12.533 -2.265 1.00 1.77 C HETATM 1284 C30 SDO A 101 -10.311 13.203 -0.934 1.00 1.95 C HETATM 1285 C31 SDO A 101 -9.495 12.690 -3.243 1.00 1.99 C HETATM 1286 C32 SDO A 101 -11.967 13.199 -2.902 1.00 2.08 C HETATM 1287 O33 SDO A 101 -11.690 14.543 -3.357 1.00 2.35 O HETATM 1288 C34 SDO A 101 -13.089 13.283 -1.875 1.00 2.45 C HETATM 1289 O35 SDO A 101 -13.668 12.295 -1.432 1.00 3.01 O HETATM 1290 N36 SDO A 101 -13.361 14.497 -1.511 1.00 2.76 N HETATM 1291 C37 SDO A 101 -14.364 14.890 -0.529 1.00 3.46 C HETATM 1292 C38 SDO A 101 -13.718 15.047 0.853 1.00 3.69 C HETATM 1293 C39 SDO A 101 -12.440 15.897 0.837 1.00 3.12 C HETATM 1294 O40 SDO A 101 -12.183 16.701 -0.087 1.00 3.47 O HETATM 1295 N41 SDO A 101 -11.643 15.713 1.862 1.00 2.75 N HETATM 1296 C42 SDO A 101 -10.382 16.408 2.032 1.00 2.56 C HETATM 1297 C43 SDO A 101 -9.654 16.001 3.300 1.00 3.16 C HETATM 1298 S1 SDO A 101 -8.211 16.965 3.844 1.00 3.65 S HETATM 1299 C1 SDO A 101 -7.738 18.384 2.801 1.00 3.41 C HETATM 1300 C2 SDO A 101 -8.558 18.682 1.561 1.00 3.06 C HETATM 1301 C3 SDO A 101 -8.181 19.906 0.630 1.00 3.84 C HETATM 1302 O3 SDO A 101 -8.896 20.068 -0.366 1.00 4.23 O HETATM 1303 C4 SDO A 101 -6.989 20.938 0.828 1.00 4.62 C HETATM 1304 C5 SDO A 101 -6.058 20.796 2.032 1.00 4.78 C HETATM 1305 C6 SDO A 101 -5.020 21.920 2.067 1.00 5.75 C HETATM 1306 C7 SDO A 101 -4.064 21.860 3.265 1.00 6.28 C HETATM 1307 O7 SDO A 101 -3.187 22.728 3.417 1.00 7.10 O HETATM 1308 C8 SDO A 101 -4.226 20.737 4.285 1.00 6.09 C