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 24 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 40 TYR OH : rot 135:sc= 0.882 USER MOD Set 2.1: A 17 SER OG : rot 73:sc= 1.39 USER MOD Set 2.2: A 48 THR OG1 : rot -29:sc= -0.23 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0311 (180deg=-0.0311) USER MOD Single : A 3 THR OG1 : rot -46:sc= 0.509 USER MOD Single : A 6 THR OG1 : rot -54:sc= 0.0487 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 136:sc= -0.433 (180deg=-1.56!) USER MOD Single : A 54 SER OG : rot 64:sc= 1.25 USER MOD Single : A 56 TYR OH : rot -124:sc= 0.849 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -81:sc= -0.0918 USER MOD Single : A 79 ASN : amide:sc= 0.603 K(o=0.6,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.546 -9.339 -1.548 1.00 3.07 N ATOM 2 CA MET A 1 -18.617 -8.611 -0.282 1.00 2.76 C ATOM 3 C MET A 1 -17.245 -8.476 0.397 1.00 2.34 C ATOM 4 O MET A 1 -16.713 -7.361 0.494 1.00 2.38 O ATOM 5 CB MET A 1 -19.721 -9.173 0.651 1.00 2.93 C ATOM 6 CG MET A 1 -19.645 -10.666 0.924 1.00 3.33 C ATOM 7 SD MET A 1 -20.998 -11.272 1.952 1.00 4.18 S ATOM 8 CE MET A 1 -20.579 -13.015 2.020 1.00 4.50 C ATOM 0 H1 MET A 1 -19.496 -9.403 -1.966 1.00 3.07 H new ATOM 0 H2 MET A 1 -17.913 -8.836 -2.203 1.00 3.07 H new ATOM 0 H3 MET A 1 -18.178 -10.297 -1.378 1.00 3.07 H new ATOM 0 HA MET A 1 -18.920 -7.591 -0.517 1.00 2.76 H new ATOM 0 HB2 MET A 1 -19.673 -8.644 1.603 1.00 2.93 H new ATOM 0 HB3 MET A 1 -20.693 -8.950 0.211 1.00 2.93 H new ATOM 0 HG2 MET A 1 -19.650 -11.203 -0.025 1.00 3.33 H new ATOM 0 HG3 MET A 1 -18.697 -10.891 1.413 1.00 3.33 H new ATOM 0 HE1 MET A 1 -21.318 -13.544 2.621 1.00 4.50 H new ATOM 0 HE2 MET A 1 -20.570 -13.427 1.011 1.00 4.50 H new ATOM 0 HE3 MET A 1 -19.593 -13.135 2.469 1.00 4.50 H new ATOM 20 N ALA A 2 -16.629 -9.580 0.826 1.00 2.23 N ATOM 21 CA ALA A 2 -15.341 -9.486 1.467 1.00 1.97 C ATOM 22 C ALA A 2 -14.240 -9.453 0.430 1.00 1.62 C ATOM 23 O ALA A 2 -13.698 -10.480 0.015 1.00 1.83 O ATOM 24 CB ALA A 2 -15.117 -10.603 2.481 1.00 2.32 C ATOM 0 H ALA A 2 -17.002 -10.525 0.738 1.00 2.23 H new ATOM 0 HA ALA A 2 -15.318 -8.551 2.027 1.00 1.97 H new ATOM 0 HB1 ALA A 2 -14.133 -10.489 2.937 1.00 2.32 H new ATOM 0 HB2 ALA A 2 -15.883 -10.551 3.254 1.00 2.32 H new ATOM 0 HB3 ALA A 2 -15.174 -11.568 1.978 1.00 2.32 H new ATOM 30 N THR A 3 -13.946 -8.277 -0.018 1.00 1.33 N ATOM 31 CA THR A 3 -12.916 -8.082 -0.988 1.00 1.10 C ATOM 32 C THR A 3 -11.732 -7.380 -0.335 1.00 0.90 C ATOM 33 O THR A 3 -10.973 -6.655 -0.976 1.00 0.87 O ATOM 34 CB THR A 3 -13.449 -7.327 -2.250 1.00 1.27 C ATOM 35 OG1 THR A 3 -12.412 -7.160 -3.235 1.00 1.70 O ATOM 36 CG2 THR A 3 -14.031 -5.963 -1.882 1.00 1.78 C ATOM 0 H THR A 3 -14.414 -7.421 0.278 1.00 1.33 H new ATOM 0 HA THR A 3 -12.574 -9.052 -1.350 1.00 1.10 H new ATOM 0 HB THR A 3 -14.243 -7.941 -2.675 1.00 1.27 H new ATOM 0 HG1 THR A 3 -11.596 -6.837 -2.799 1.00 1.70 H new ATOM 0 HG21 THR A 3 -14.392 -5.466 -2.783 1.00 1.78 H new ATOM 0 HG22 THR A 3 -14.858 -6.096 -1.185 1.00 1.78 H new ATOM 0 HG23 THR A 3 -13.259 -5.352 -1.415 1.00 1.78 H new ATOM 44 N LEU A 4 -11.538 -7.708 0.913 1.00 0.86 N ATOM 45 CA LEU A 4 -10.469 -7.151 1.713 1.00 0.72 C ATOM 46 C LEU A 4 -9.179 -7.835 1.359 1.00 0.67 C ATOM 47 O LEU A 4 -9.126 -9.061 1.278 1.00 0.83 O ATOM 48 CB LEU A 4 -10.749 -7.271 3.233 1.00 0.71 C ATOM 49 CG LEU A 4 -11.779 -6.290 3.859 1.00 0.87 C ATOM 50 CD1 LEU A 4 -13.178 -6.472 3.298 1.00 0.80 C ATOM 51 CD2 LEU A 4 -11.789 -6.423 5.373 1.00 1.75 C ATOM 0 H LEU A 4 -12.122 -8.377 1.414 1.00 0.86 H new ATOM 0 HA LEU A 4 -10.398 -6.086 1.490 1.00 0.72 H new ATOM 0 HB2 LEU A 4 -11.090 -8.287 3.432 1.00 0.71 H new ATOM 0 HB3 LEU A 4 -9.803 -7.144 3.759 1.00 0.71 H new ATOM 0 HG LEU A 4 -11.460 -5.283 3.590 1.00 0.87 H new ATOM 0 HD11 LEU A 4 -13.855 -5.761 3.771 1.00 0.80 H new ATOM 0 HD12 LEU A 4 -13.164 -6.299 2.222 1.00 0.80 H new ATOM 0 HD13 LEU A 4 -13.521 -7.487 3.497 1.00 0.80 H new ATOM 0 HD21 LEU A 4 -12.516 -5.729 5.794 1.00 1.75 H new ATOM 0 HD22 LEU A 4 -12.060 -7.443 5.647 1.00 1.75 H new ATOM 0 HD23 LEU A 4 -10.798 -6.193 5.765 1.00 1.75 H new ATOM 63 N LEU A 5 -8.161 -7.065 1.139 1.00 0.55 N ATOM 64 CA LEU A 5 -6.904 -7.602 0.716 1.00 0.51 C ATOM 65 C LEU A 5 -6.019 -7.976 1.879 1.00 0.46 C ATOM 66 O LEU A 5 -6.230 -7.520 3.014 1.00 0.50 O ATOM 67 CB LEU A 5 -6.218 -6.684 -0.295 1.00 0.53 C ATOM 68 CG LEU A 5 -5.959 -5.231 0.072 1.00 0.62 C ATOM 69 CD1 LEU A 5 -4.624 -5.086 0.754 1.00 0.66 C ATOM 70 CD2 LEU A 5 -6.017 -4.376 -1.168 1.00 0.95 C ATOM 0 H LEU A 5 -8.176 -6.051 1.246 1.00 0.55 H new ATOM 0 HA LEU A 5 -7.106 -8.538 0.195 1.00 0.51 H new ATOM 0 HB2 LEU A 5 -5.258 -7.134 -0.547 1.00 0.53 H new ATOM 0 HB3 LEU A 5 -6.820 -6.690 -1.203 1.00 0.53 H new ATOM 0 HG LEU A 5 -6.730 -4.899 0.767 1.00 0.62 H new ATOM 0 HD11 LEU A 5 -4.457 -4.039 1.009 1.00 0.66 H new ATOM 0 HD12 LEU A 5 -4.613 -5.687 1.663 1.00 0.66 H new ATOM 0 HD13 LEU A 5 -3.834 -5.427 0.084 1.00 0.66 H new ATOM 0 HD21 LEU A 5 -5.831 -3.336 -0.902 1.00 0.95 H new ATOM 0 HD22 LEU A 5 -5.259 -4.710 -1.876 1.00 0.95 H new ATOM 0 HD23 LEU A 5 -7.003 -4.463 -1.624 1.00 0.95 H new ATOM 82 N THR A 6 -5.038 -8.775 1.599 1.00 0.47 N ATOM 83 CA THR A 6 -4.189 -9.317 2.612 1.00 0.49 C ATOM 84 C THR A 6 -2.906 -8.511 2.767 1.00 0.40 C ATOM 85 O THR A 6 -2.668 -7.528 2.042 1.00 0.38 O ATOM 86 CB THR A 6 -3.842 -10.789 2.303 1.00 0.70 C ATOM 87 OG1 THR A 6 -3.165 -10.867 1.029 1.00 0.82 O ATOM 88 CG2 THR A 6 -5.099 -11.638 2.245 1.00 0.93 C ATOM 0 H THR A 6 -4.802 -9.072 0.652 1.00 0.47 H new ATOM 0 HA THR A 6 -4.739 -9.265 3.552 1.00 0.49 H new ATOM 0 HB THR A 6 -3.197 -11.165 3.097 1.00 0.70 H new ATOM 0 HG1 THR A 6 -3.711 -10.433 0.341 1.00 0.82 H new ATOM 0 HG21 THR A 6 -4.830 -12.671 2.026 1.00 0.93 H new ATOM 0 HG22 THR A 6 -5.613 -11.592 3.205 1.00 0.93 H new ATOM 0 HG23 THR A 6 -5.757 -11.261 1.462 1.00 0.93 H new ATOM 96 N THR A 7 -2.049 -8.969 3.655 1.00 0.44 N ATOM 97 CA THR A 7 -0.793 -8.343 3.907 1.00 0.42 C ATOM 98 C THR A 7 0.202 -8.790 2.827 1.00 0.37 C ATOM 99 O THR A 7 1.165 -8.087 2.502 1.00 0.39 O ATOM 100 CB THR A 7 -0.299 -8.773 5.303 1.00 0.50 C ATOM 101 OG1 THR A 7 -1.409 -8.666 6.216 1.00 0.58 O ATOM 102 CG2 THR A 7 0.831 -7.876 5.786 1.00 0.54 C ATOM 0 H THR A 7 -2.219 -9.799 4.224 1.00 0.44 H new ATOM 0 HA THR A 7 -0.887 -7.257 3.880 1.00 0.42 H new ATOM 0 HB THR A 7 0.078 -9.795 5.254 1.00 0.50 H new ATOM 0 HG1 THR A 7 -1.122 -8.936 7.113 1.00 0.58 H new ATOM 0 HG21 THR A 7 1.159 -8.203 6.773 1.00 0.54 H new ATOM 0 HG22 THR A 7 1.666 -7.935 5.088 1.00 0.54 H new ATOM 0 HG23 THR A 7 0.479 -6.846 5.844 1.00 0.54 H new ATOM 110 N ASP A 8 -0.089 -9.942 2.225 1.00 0.41 N ATOM 111 CA ASP A 8 0.755 -10.511 1.171 1.00 0.46 C ATOM 112 C ASP A 8 0.617 -9.682 -0.074 1.00 0.42 C ATOM 113 O ASP A 8 1.608 -9.402 -0.771 1.00 0.47 O ATOM 114 CB ASP A 8 0.351 -11.953 0.839 1.00 0.62 C ATOM 115 CG ASP A 8 0.459 -12.912 1.993 1.00 1.41 C ATOM 116 OD1 ASP A 8 1.537 -13.524 2.180 1.00 1.98 O ATOM 117 OD2 ASP A 8 -0.543 -13.084 2.724 1.00 2.01 O ATOM 0 H ASP A 8 -0.909 -10.505 2.450 1.00 0.41 H new ATOM 0 HA ASP A 8 1.784 -10.511 1.531 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.677 -11.955 0.476 1.00 0.62 H new ATOM 0 HB3 ASP A 8 0.977 -12.314 0.023 1.00 0.62 H new ATOM 122 N ASP A 9 -0.623 -9.268 -0.339 1.00 0.41 N ATOM 123 CA ASP A 9 -0.944 -8.442 -1.507 1.00 0.46 C ATOM 124 C ASP A 9 -0.172 -7.158 -1.451 1.00 0.40 C ATOM 125 O ASP A 9 0.522 -6.797 -2.404 1.00 0.46 O ATOM 126 CB ASP A 9 -2.442 -8.104 -1.590 1.00 0.54 C ATOM 127 CG ASP A 9 -3.336 -9.307 -1.687 1.00 0.98 C ATOM 128 OD1 ASP A 9 -3.081 -10.180 -2.547 1.00 1.21 O ATOM 129 OD2 ASP A 9 -4.307 -9.399 -0.933 1.00 1.83 O ATOM 0 H ASP A 9 -1.429 -9.493 0.244 1.00 0.41 H new ATOM 0 HA ASP A 9 -0.672 -9.022 -2.389 1.00 0.46 H new ATOM 0 HB2 ASP A 9 -2.723 -7.526 -0.710 1.00 0.54 H new ATOM 0 HB3 ASP A 9 -2.612 -7.467 -2.458 1.00 0.54 H new ATOM 134 N LEU A 10 -0.258 -6.496 -0.308 1.00 0.36 N ATOM 135 CA LEU A 10 0.415 -5.233 -0.083 1.00 0.35 C ATOM 136 C LEU A 10 1.935 -5.391 -0.184 1.00 0.33 C ATOM 137 O LEU A 10 2.598 -4.569 -0.804 1.00 0.36 O ATOM 138 CB LEU A 10 0.001 -4.648 1.276 1.00 0.37 C ATOM 139 CG LEU A 10 0.599 -3.290 1.659 1.00 0.41 C ATOM 140 CD1 LEU A 10 0.255 -2.233 0.618 1.00 0.51 C ATOM 141 CD2 LEU A 10 0.095 -2.867 3.029 1.00 0.48 C ATOM 0 H LEU A 10 -0.800 -6.824 0.492 1.00 0.36 H new ATOM 0 HA LEU A 10 0.111 -4.535 -0.863 1.00 0.35 H new ATOM 0 HB2 LEU A 10 -1.085 -4.556 1.289 1.00 0.37 H new ATOM 0 HB3 LEU A 10 0.269 -5.367 2.050 1.00 0.37 H new ATOM 0 HG LEU A 10 1.684 -3.389 1.696 1.00 0.41 H new ATOM 0 HD11 LEU A 10 0.690 -1.278 0.912 1.00 0.51 H new ATOM 0 HD12 LEU A 10 0.656 -2.532 -0.350 1.00 0.51 H new ATOM 0 HD13 LEU A 10 -0.828 -2.132 0.547 1.00 0.51 H new ATOM 0 HD21 LEU A 10 0.525 -1.901 3.293 1.00 0.48 H new ATOM 0 HD22 LEU A 10 -0.992 -2.787 3.008 1.00 0.48 H new ATOM 0 HD23 LEU A 10 0.390 -3.610 3.770 1.00 0.48 H new ATOM 153 N ARG A 11 2.462 -6.472 0.395 1.00 0.33 N ATOM 154 CA ARG A 11 3.900 -6.756 0.367 1.00 0.37 C ATOM 155 C ARG A 11 4.416 -6.822 -1.068 1.00 0.39 C ATOM 156 O ARG A 11 5.378 -6.144 -1.424 1.00 0.45 O ATOM 157 CB ARG A 11 4.208 -8.078 1.101 1.00 0.45 C ATOM 158 CG ARG A 11 5.696 -8.423 1.201 1.00 0.72 C ATOM 159 CD ARG A 11 5.924 -9.710 1.991 1.00 0.63 C ATOM 160 NE ARG A 11 5.365 -10.899 1.326 1.00 1.12 N ATOM 161 CZ ARG A 11 4.382 -11.679 1.832 1.00 1.36 C ATOM 162 NH1 ARG A 11 3.922 -11.479 3.063 1.00 1.47 N ATOM 163 NH2 ARG A 11 3.926 -12.702 1.140 1.00 2.27 N ATOM 0 H ARG A 11 1.910 -7.171 0.893 1.00 0.33 H new ATOM 0 HA ARG A 11 4.411 -5.942 0.881 1.00 0.37 H new ATOM 0 HB2 ARG A 11 3.793 -8.024 2.108 1.00 0.45 H new ATOM 0 HB3 ARG A 11 3.694 -8.891 0.588 1.00 0.45 H new ATOM 0 HG2 ARG A 11 6.113 -8.532 0.200 1.00 0.72 H new ATOM 0 HG3 ARG A 11 6.229 -7.602 1.681 1.00 0.72 H new ATOM 0 HD2 ARG A 11 6.994 -9.853 2.141 1.00 0.63 H new ATOM 0 HD3 ARG A 11 5.475 -9.608 2.979 1.00 0.63 H new ATOM 0 HE ARG A 11 5.748 -11.154 0.415 1.00 1.12 H new ATOM 0 HH11 ARG A 11 4.310 -10.731 3.637 1.00 1.47 H new ATOM 0 HH12 ARG A 11 3.181 -12.074 3.433 1.00 1.47 H new ATOM 0 HH21 ARG A 11 4.314 -12.909 0.220 1.00 2.27 H new ATOM 0 HH22 ARG A 11 3.185 -13.288 1.524 1.00 2.27 H new ATOM 177 N ARG A 12 3.747 -7.601 -1.890 1.00 0.40 N ATOM 178 CA ARG A 12 4.172 -7.790 -3.265 1.00 0.48 C ATOM 179 C ARG A 12 3.941 -6.553 -4.105 1.00 0.47 C ATOM 180 O ARG A 12 4.840 -6.112 -4.807 1.00 0.50 O ATOM 181 CB ARG A 12 3.506 -9.003 -3.894 1.00 0.56 C ATOM 182 CG ARG A 12 3.927 -10.319 -3.262 1.00 0.94 C ATOM 183 CD ARG A 12 3.319 -11.511 -3.975 1.00 1.18 C ATOM 184 NE ARG A 12 3.762 -11.616 -5.373 1.00 1.76 N ATOM 185 CZ ARG A 12 3.882 -12.755 -6.058 1.00 2.29 C ATOM 186 NH1 ARG A 12 3.691 -13.928 -5.464 1.00 2.31 N ATOM 187 NH2 ARG A 12 4.238 -12.712 -7.329 1.00 3.30 N ATOM 0 H ARG A 12 2.905 -8.116 -1.632 1.00 0.40 H new ATOM 0 HA ARG A 12 5.246 -7.972 -3.239 1.00 0.48 H new ATOM 0 HB2 ARG A 12 2.424 -8.898 -3.811 1.00 0.56 H new ATOM 0 HB3 ARG A 12 3.743 -9.027 -4.958 1.00 0.56 H new ATOM 0 HG2 ARG A 12 5.014 -10.400 -3.282 1.00 0.94 H new ATOM 0 HG3 ARG A 12 3.626 -10.331 -2.214 1.00 0.94 H new ATOM 0 HD2 ARG A 12 3.586 -12.424 -3.443 1.00 1.18 H new ATOM 0 HD3 ARG A 12 2.232 -11.432 -3.946 1.00 1.18 H new ATOM 0 HE ARG A 12 3.996 -10.750 -5.858 1.00 1.76 H new ATOM 0 HH11 ARG A 12 3.450 -13.965 -4.474 1.00 2.31 H new ATOM 0 HH12 ARG A 12 3.786 -14.792 -5.998 1.00 2.31 H new ATOM 0 HH21 ARG A 12 4.418 -11.814 -7.778 1.00 3.30 H new ATOM 0 HH22 ARG A 12 4.333 -13.577 -7.862 1.00 3.30 H new ATOM 201 N ALA A 13 2.753 -5.966 -3.982 1.00 0.47 N ATOM 202 CA ALA A 13 2.380 -4.774 -4.759 1.00 0.53 C ATOM 203 C ALA A 13 3.363 -3.628 -4.534 1.00 0.46 C ATOM 204 O ALA A 13 3.660 -2.850 -5.452 1.00 0.48 O ATOM 205 CB ALA A 13 0.967 -4.328 -4.416 1.00 0.63 C ATOM 0 H ALA A 13 2.024 -6.295 -3.349 1.00 0.47 H new ATOM 0 HA ALA A 13 2.417 -5.047 -5.814 1.00 0.53 H new ATOM 0 HB1 ALA A 13 0.712 -3.445 -5.002 1.00 0.63 H new ATOM 0 HB2 ALA A 13 0.266 -5.131 -4.645 1.00 0.63 H new ATOM 0 HB3 ALA A 13 0.909 -4.088 -3.354 1.00 0.63 H new ATOM 211 N LEU A 14 3.871 -3.545 -3.321 1.00 0.42 N ATOM 212 CA LEU A 14 4.831 -2.541 -2.959 1.00 0.39 C ATOM 213 C LEU A 14 6.150 -2.786 -3.703 1.00 0.40 C ATOM 214 O LEU A 14 6.688 -1.885 -4.331 1.00 0.46 O ATOM 215 CB LEU A 14 5.037 -2.550 -1.438 1.00 0.45 C ATOM 216 CG LEU A 14 5.927 -1.458 -0.847 1.00 0.54 C ATOM 217 CD1 LEU A 14 5.343 -0.083 -1.114 1.00 0.44 C ATOM 218 CD2 LEU A 14 6.086 -1.671 0.639 1.00 1.00 C ATOM 0 H LEU A 14 3.624 -4.178 -2.561 1.00 0.42 H new ATOM 0 HA LEU A 14 4.461 -1.557 -3.248 1.00 0.39 H new ATOM 0 HB2 LEU A 14 4.058 -2.481 -0.964 1.00 0.45 H new ATOM 0 HB3 LEU A 14 5.458 -3.516 -1.160 1.00 0.45 H new ATOM 0 HG LEU A 14 6.905 -1.515 -1.325 1.00 0.54 H new ATOM 0 HD11 LEU A 14 5.994 0.678 -0.684 1.00 0.44 H new ATOM 0 HD12 LEU A 14 5.261 0.075 -2.189 1.00 0.44 H new ATOM 0 HD13 LEU A 14 4.354 -0.013 -0.661 1.00 0.44 H new ATOM 0 HD21 LEU A 14 6.722 -0.888 1.053 1.00 1.00 H new ATOM 0 HD22 LEU A 14 5.108 -1.635 1.118 1.00 1.00 H new ATOM 0 HD23 LEU A 14 6.543 -2.644 0.820 1.00 1.00 H new ATOM 230 N VAL A 15 6.626 -4.027 -3.687 1.00 0.44 N ATOM 231 CA VAL A 15 7.902 -4.370 -4.326 1.00 0.53 C ATOM 232 C VAL A 15 7.795 -4.259 -5.858 1.00 0.55 C ATOM 233 O VAL A 15 8.746 -3.848 -6.528 1.00 0.64 O ATOM 234 CB VAL A 15 8.405 -5.786 -3.918 1.00 0.61 C ATOM 235 CG1 VAL A 15 9.787 -6.069 -4.489 1.00 0.74 C ATOM 236 CG2 VAL A 15 8.432 -5.922 -2.407 1.00 0.64 C ATOM 0 H VAL A 15 6.153 -4.813 -3.241 1.00 0.44 H new ATOM 0 HA VAL A 15 8.638 -3.649 -3.970 1.00 0.53 H new ATOM 0 HB VAL A 15 7.710 -6.517 -4.331 1.00 0.61 H new ATOM 0 HG11 VAL A 15 10.109 -7.065 -4.186 1.00 0.74 H new ATOM 0 HG12 VAL A 15 9.749 -6.015 -5.577 1.00 0.74 H new ATOM 0 HG13 VAL A 15 10.494 -5.329 -4.114 1.00 0.74 H new ATOM 0 HG21 VAL A 15 8.786 -6.917 -2.138 1.00 0.64 H new ATOM 0 HG22 VAL A 15 9.102 -5.172 -1.986 1.00 0.64 H new ATOM 0 HG23 VAL A 15 7.428 -5.774 -2.010 1.00 0.64 H new ATOM 246 N GLU A 16 6.615 -4.552 -6.394 1.00 0.59 N ATOM 247 CA GLU A 16 6.358 -4.443 -7.840 1.00 0.69 C ATOM 248 C GLU A 16 6.398 -2.984 -8.310 1.00 0.65 C ATOM 249 O GLU A 16 6.462 -2.704 -9.507 1.00 0.77 O ATOM 250 CB GLU A 16 5.010 -5.081 -8.211 1.00 0.89 C ATOM 251 CG GLU A 16 4.925 -6.578 -7.936 1.00 1.11 C ATOM 252 CD GLU A 16 5.861 -7.414 -8.791 1.00 1.54 C ATOM 253 OE1 GLU A 16 7.092 -7.198 -8.733 1.00 1.95 O ATOM 254 OE2 GLU A 16 5.394 -8.290 -9.537 1.00 2.18 O ATOM 0 H GLU A 16 5.812 -4.869 -5.851 1.00 0.59 H new ATOM 0 HA GLU A 16 7.153 -4.987 -8.350 1.00 0.69 H new ATOM 0 HB2 GLU A 16 4.218 -4.577 -7.657 1.00 0.89 H new ATOM 0 HB3 GLU A 16 4.819 -4.907 -9.270 1.00 0.89 H new ATOM 0 HG2 GLU A 16 5.151 -6.758 -6.885 1.00 1.11 H new ATOM 0 HG3 GLU A 16 3.901 -6.911 -8.104 1.00 1.11 H new ATOM 261 N SER A 17 6.367 -2.066 -7.364 1.00 0.59 N ATOM 262 CA SER A 17 6.442 -0.655 -7.676 1.00 0.64 C ATOM 263 C SER A 17 7.913 -0.189 -7.678 1.00 0.74 C ATOM 264 O SER A 17 8.247 0.877 -8.208 1.00 1.04 O ATOM 265 CB SER A 17 5.626 0.129 -6.664 1.00 0.68 C ATOM 266 OG SER A 17 4.290 -0.375 -6.602 1.00 1.27 O ATOM 0 H SER A 17 6.290 -2.275 -6.369 1.00 0.59 H new ATOM 0 HA SER A 17 6.031 -0.478 -8.670 1.00 0.64 H new ATOM 0 HB2 SER A 17 6.093 0.062 -5.681 1.00 0.68 H new ATOM 0 HB3 SER A 17 5.611 1.184 -6.938 1.00 0.68 H new ATOM 0 HG SER A 17 4.289 -1.245 -6.150 1.00 1.27 H new ATOM 272 N ALA A 18 8.779 -0.990 -7.079 1.00 0.70 N ATOM 273 CA ALA A 18 10.202 -0.699 -7.065 1.00 0.87 C ATOM 274 C ALA A 18 10.873 -1.461 -8.196 1.00 1.05 C ATOM 275 O ALA A 18 11.800 -0.956 -8.855 1.00 1.57 O ATOM 276 CB ALA A 18 10.829 -1.079 -5.720 1.00 0.95 C ATOM 0 H ALA A 18 8.520 -1.849 -6.595 1.00 0.70 H new ATOM 0 HA ALA A 18 10.347 0.372 -7.205 1.00 0.87 H new ATOM 0 HB1 ALA A 18 11.895 -0.850 -5.738 1.00 0.95 H new ATOM 0 HB2 ALA A 18 10.350 -0.512 -4.922 1.00 0.95 H new ATOM 0 HB3 ALA A 18 10.690 -2.145 -5.542 1.00 0.95 H new ATOM 282 N GLY A 19 10.408 -2.686 -8.417 1.00 0.98 N ATOM 283 CA GLY A 19 10.943 -3.537 -9.461 1.00 1.32 C ATOM 284 C GLY A 19 12.215 -4.213 -9.006 1.00 1.47 C ATOM 285 O GLY A 19 12.292 -5.450 -8.894 1.00 1.85 O ATOM 0 H GLY A 19 9.653 -3.111 -7.878 1.00 0.98 H new ATOM 0 HA2 GLY A 19 10.205 -4.290 -9.736 1.00 1.32 H new ATOM 0 HA3 GLY A 19 11.141 -2.944 -10.354 1.00 1.32 H new ATOM 289 N GLU A 20 13.189 -3.405 -8.717 1.00 1.96 N ATOM 290 CA GLU A 20 14.445 -3.857 -8.223 1.00 2.68 C ATOM 291 C GLU A 20 14.324 -4.017 -6.729 1.00 2.91 C ATOM 292 O GLU A 20 13.571 -3.287 -6.085 1.00 3.66 O ATOM 293 CB GLU A 20 15.532 -2.851 -8.550 1.00 3.52 C ATOM 294 CG GLU A 20 15.727 -2.617 -10.034 1.00 4.20 C ATOM 295 CD GLU A 20 16.828 -1.646 -10.309 1.00 4.87 C ATOM 296 OE1 GLU A 20 17.999 -1.979 -10.038 1.00 5.27 O ATOM 297 OE2 GLU A 20 16.553 -0.544 -10.837 1.00 5.31 O ATOM 0 H GLU A 20 13.127 -2.392 -8.822 1.00 1.96 H new ATOM 0 HA GLU A 20 14.712 -4.806 -8.688 1.00 2.68 H new ATOM 0 HB2 GLU A 20 15.291 -1.902 -8.071 1.00 3.52 H new ATOM 0 HB3 GLU A 20 16.473 -3.195 -8.120 1.00 3.52 H new ATOM 0 HG2 GLU A 20 15.949 -3.565 -10.524 1.00 4.20 H new ATOM 0 HG3 GLU A 20 14.799 -2.244 -10.467 1.00 4.20 H new ATOM 304 N THR A 21 15.012 -4.972 -6.183 1.00 2.73 N ATOM 305 CA THR A 21 14.935 -5.185 -4.770 1.00 3.25 C ATOM 306 C THR A 21 16.151 -4.499 -4.089 1.00 3.14 C ATOM 307 O THR A 21 16.713 -3.561 -4.673 1.00 3.43 O ATOM 308 CB THR A 21 14.846 -6.693 -4.486 1.00 3.93 C ATOM 309 OG1 THR A 21 14.137 -7.265 -5.594 1.00 4.30 O ATOM 310 CG2 THR A 21 14.004 -6.960 -3.235 1.00 4.40 C ATOM 0 H THR A 21 15.627 -5.610 -6.687 1.00 2.73 H new ATOM 0 HA THR A 21 14.036 -4.734 -4.350 1.00 3.25 H new ATOM 0 HB THR A 21 15.845 -7.106 -4.344 1.00 3.93 H new ATOM 0 HG1 THR A 21 14.053 -8.233 -5.464 1.00 4.30 H new ATOM 0 HG21 THR A 21 13.954 -8.033 -3.052 1.00 4.40 H new ATOM 0 HG22 THR A 21 14.461 -6.467 -2.377 1.00 4.40 H new ATOM 0 HG23 THR A 21 12.997 -6.570 -3.384 1.00 4.40 H new ATOM 318 N ASP A 22 16.579 -4.987 -2.917 1.00 3.24 N ATOM 319 CA ASP A 22 17.627 -4.350 -2.112 1.00 3.46 C ATOM 320 C ASP A 22 17.258 -2.915 -1.761 1.00 3.15 C ATOM 321 O ASP A 22 17.514 -1.958 -2.503 1.00 3.71 O ATOM 322 CB ASP A 22 19.031 -4.462 -2.715 1.00 4.08 C ATOM 323 CG ASP A 22 20.066 -3.751 -1.873 1.00 4.82 C ATOM 324 OD1 ASP A 22 20.291 -4.164 -0.714 1.00 5.44 O ATOM 325 OD2 ASP A 22 20.692 -2.780 -2.358 1.00 5.14 O ATOM 0 H ASP A 22 16.205 -5.839 -2.500 1.00 3.24 H new ATOM 0 HA ASP A 22 17.680 -4.918 -1.183 1.00 3.46 H new ATOM 0 HB2 ASP A 22 19.302 -5.513 -2.811 1.00 4.08 H new ATOM 0 HB3 ASP A 22 19.029 -4.040 -3.720 1.00 4.08 H new ATOM 330 N GLY A 23 16.616 -2.794 -0.654 1.00 2.69 N ATOM 331 CA GLY A 23 16.083 -1.537 -0.205 1.00 2.70 C ATOM 332 C GLY A 23 14.800 -1.792 0.443 1.00 2.24 C ATOM 333 O GLY A 23 14.570 -1.431 1.612 1.00 2.70 O ATOM 0 H GLY A 23 16.438 -3.571 -0.018 1.00 2.69 H new ATOM 0 HA2 GLY A 23 16.772 -1.059 0.491 1.00 2.70 H new ATOM 0 HA3 GLY A 23 15.955 -0.856 -1.046 1.00 2.70 H new ATOM 337 N THR A 24 13.987 -2.479 -0.272 1.00 1.89 N ATOM 338 CA THR A 24 12.728 -2.873 0.186 1.00 1.88 C ATOM 339 C THR A 24 12.868 -4.172 0.987 1.00 1.65 C ATOM 340 O THR A 24 12.646 -5.275 0.475 1.00 2.03 O ATOM 341 CB THR A 24 11.812 -3.098 -1.003 1.00 2.50 C ATOM 342 OG1 THR A 24 12.054 -2.069 -1.983 1.00 3.09 O ATOM 343 CG2 THR A 24 10.401 -2.997 -0.532 1.00 2.87 C ATOM 0 H THR A 24 14.197 -2.787 -1.221 1.00 1.89 H new ATOM 0 HA THR A 24 12.305 -2.098 0.825 1.00 1.88 H new ATOM 0 HB THR A 24 11.996 -4.077 -1.445 1.00 2.50 H new ATOM 0 HG1 THR A 24 11.467 -2.208 -2.755 1.00 3.09 H new ATOM 0 HG21 THR A 24 9.725 -3.156 -1.372 1.00 2.87 H new ATOM 0 HG22 THR A 24 10.217 -3.754 0.230 1.00 2.87 H new ATOM 0 HG23 THR A 24 10.228 -2.007 -0.109 1.00 2.87 H new ATOM 351 N ASP A 25 13.361 -4.053 2.186 1.00 1.52 N ATOM 352 CA ASP A 25 13.509 -5.199 3.048 1.00 1.56 C ATOM 353 C ASP A 25 12.292 -5.253 3.943 1.00 1.29 C ATOM 354 O ASP A 25 12.220 -4.569 4.955 1.00 1.63 O ATOM 355 CB ASP A 25 14.798 -5.116 3.864 1.00 2.14 C ATOM 356 CG ASP A 25 15.109 -6.403 4.584 1.00 2.62 C ATOM 357 OD1 ASP A 25 15.618 -7.359 3.950 1.00 3.01 O ATOM 358 OD2 ASP A 25 14.814 -6.489 5.786 1.00 3.06 O ATOM 0 H ASP A 25 13.670 -3.171 2.594 1.00 1.52 H new ATOM 0 HA ASP A 25 13.581 -6.111 2.456 1.00 1.56 H new ATOM 0 HB2 ASP A 25 15.627 -4.864 3.203 1.00 2.14 H new ATOM 0 HB3 ASP A 25 14.713 -4.308 4.591 1.00 2.14 H new ATOM 363 N LEU A 26 11.307 -5.992 3.503 1.00 1.14 N ATOM 364 CA LEU A 26 10.017 -6.036 4.183 1.00 0.93 C ATOM 365 C LEU A 26 9.543 -7.467 4.330 1.00 0.97 C ATOM 366 O LEU A 26 8.389 -7.728 4.662 1.00 1.44 O ATOM 367 CB LEU A 26 8.959 -5.217 3.380 1.00 1.11 C ATOM 368 CG LEU A 26 8.339 -5.853 2.090 1.00 0.87 C ATOM 369 CD1 LEU A 26 7.316 -4.925 1.483 1.00 1.38 C ATOM 370 CD2 LEU A 26 9.381 -6.229 1.044 1.00 1.53 C ATOM 0 H LEU A 26 11.364 -6.580 2.671 1.00 1.14 H new ATOM 0 HA LEU A 26 10.137 -5.599 5.174 1.00 0.93 H new ATOM 0 HB2 LEU A 26 8.140 -4.980 4.059 1.00 1.11 H new ATOM 0 HB3 LEU A 26 9.420 -4.272 3.094 1.00 1.11 H new ATOM 0 HG LEU A 26 7.859 -6.779 2.407 1.00 0.87 H new ATOM 0 HD11 LEU A 26 6.895 -5.383 0.588 1.00 1.38 H new ATOM 0 HD12 LEU A 26 6.520 -4.740 2.204 1.00 1.38 H new ATOM 0 HD13 LEU A 26 7.793 -3.981 1.218 1.00 1.38 H new ATOM 0 HD21 LEU A 26 8.885 -6.664 0.176 1.00 1.53 H new ATOM 0 HD22 LEU A 26 9.929 -5.337 0.740 1.00 1.53 H new ATOM 0 HD23 LEU A 26 10.075 -6.955 1.467 1.00 1.53 H new ATOM 382 N SER A 27 10.430 -8.379 4.074 1.00 1.01 N ATOM 383 CA SER A 27 10.137 -9.773 4.120 1.00 1.18 C ATOM 384 C SER A 27 9.939 -10.215 5.579 1.00 1.27 C ATOM 385 O SER A 27 10.903 -10.330 6.354 1.00 1.98 O ATOM 386 CB SER A 27 11.284 -10.512 3.442 1.00 1.52 C ATOM 387 OG SER A 27 11.613 -9.843 2.213 1.00 2.26 O ATOM 0 H SER A 27 11.396 -8.168 3.823 1.00 1.01 H new ATOM 0 HA SER A 27 9.211 -10.003 3.593 1.00 1.18 H new ATOM 0 HB2 SER A 27 12.153 -10.541 4.099 1.00 1.52 H new ATOM 0 HB3 SER A 27 11.000 -11.546 3.243 1.00 1.52 H new ATOM 0 HG SER A 27 12.352 -10.313 1.772 1.00 2.26 H new ATOM 393 N GLY A 28 8.685 -10.368 5.963 1.00 1.18 N ATOM 394 CA GLY A 28 8.350 -10.766 7.304 1.00 1.46 C ATOM 395 C GLY A 28 7.268 -9.879 7.882 1.00 1.19 C ATOM 396 O GLY A 28 6.073 -10.177 7.758 1.00 1.73 O ATOM 0 H GLY A 28 7.880 -10.219 5.354 1.00 1.18 H new ATOM 0 HA2 GLY A 28 8.014 -11.803 7.306 1.00 1.46 H new ATOM 0 HA3 GLY A 28 9.239 -10.718 7.933 1.00 1.46 H new ATOM 400 N ASP A 29 7.663 -8.777 8.471 1.00 0.90 N ATOM 401 CA ASP A 29 6.717 -7.856 9.080 1.00 0.83 C ATOM 402 C ASP A 29 7.168 -6.441 8.784 1.00 0.79 C ATOM 403 O ASP A 29 8.284 -6.072 9.106 1.00 1.33 O ATOM 404 CB ASP A 29 6.651 -8.094 10.595 1.00 1.20 C ATOM 405 CG ASP A 29 5.449 -7.459 11.246 1.00 1.95 C ATOM 406 OD1 ASP A 29 4.381 -8.101 11.270 1.00 2.44 O ATOM 407 OD2 ASP A 29 5.544 -6.338 11.760 1.00 2.68 O ATOM 0 H ASP A 29 8.639 -8.489 8.545 1.00 0.90 H new ATOM 0 HA ASP A 29 5.720 -8.017 8.670 1.00 0.83 H new ATOM 0 HB2 ASP A 29 6.635 -9.167 10.787 1.00 1.20 H new ATOM 0 HB3 ASP A 29 7.556 -7.701 11.057 1.00 1.20 H new ATOM 412 N PHE A 30 6.309 -5.665 8.150 1.00 0.42 N ATOM 413 CA PHE A 30 6.636 -4.332 7.715 1.00 0.36 C ATOM 414 C PHE A 30 5.454 -3.401 7.947 1.00 0.32 C ATOM 415 O PHE A 30 5.402 -2.304 7.416 1.00 0.35 O ATOM 416 CB PHE A 30 6.973 -4.361 6.217 1.00 0.37 C ATOM 417 CG PHE A 30 5.808 -4.780 5.317 1.00 0.35 C ATOM 418 CD1 PHE A 30 5.418 -6.107 5.237 1.00 0.40 C ATOM 419 CD2 PHE A 30 5.120 -3.845 4.554 1.00 0.38 C ATOM 420 CE1 PHE A 30 4.374 -6.494 4.420 1.00 0.46 C ATOM 421 CE2 PHE A 30 4.080 -4.225 3.739 1.00 0.42 C ATOM 422 CZ PHE A 30 3.678 -5.532 3.696 1.00 0.46 C ATOM 0 H PHE A 30 5.357 -5.951 7.923 1.00 0.42 H new ATOM 0 HA PHE A 30 7.492 -3.968 8.284 1.00 0.36 H new ATOM 0 HB2 PHE A 30 7.313 -3.371 5.914 1.00 0.37 H new ATOM 0 HB3 PHE A 30 7.805 -5.047 6.057 1.00 0.37 H new ATOM 0 HD1 PHE A 30 5.938 -6.850 5.823 1.00 0.40 H new ATOM 0 HD2 PHE A 30 5.406 -2.805 4.602 1.00 0.38 H new ATOM 0 HE1 PHE A 30 4.100 -7.536 4.344 1.00 0.46 H new ATOM 0 HE2 PHE A 30 3.578 -3.488 3.130 1.00 0.42 H new ATOM 0 HZ PHE A 30 2.822 -5.816 3.101 1.00 0.46 H new ATOM 432 N LEU A 31 4.530 -3.823 8.772 1.00 0.35 N ATOM 433 CA LEU A 31 3.322 -3.053 8.976 1.00 0.36 C ATOM 434 C LEU A 31 3.534 -1.871 9.903 1.00 0.39 C ATOM 435 O LEU A 31 2.941 -0.831 9.701 1.00 0.46 O ATOM 436 CB LEU A 31 2.154 -3.930 9.425 1.00 0.40 C ATOM 437 CG LEU A 31 1.663 -4.958 8.391 1.00 0.39 C ATOM 438 CD1 LEU A 31 0.522 -5.771 8.951 1.00 0.45 C ATOM 439 CD2 LEU A 31 1.233 -4.270 7.100 1.00 0.38 C ATOM 0 H LEU A 31 4.586 -4.687 9.311 1.00 0.35 H new ATOM 0 HA LEU A 31 3.055 -2.637 8.005 1.00 0.36 H new ATOM 0 HB2 LEU A 31 2.449 -4.462 10.329 1.00 0.40 H new ATOM 0 HB3 LEU A 31 1.319 -3.283 9.694 1.00 0.40 H new ATOM 0 HG LEU A 31 2.493 -5.628 8.164 1.00 0.39 H new ATOM 0 HD11 LEU A 31 0.189 -6.492 8.205 1.00 0.45 H new ATOM 0 HD12 LEU A 31 0.856 -6.300 9.844 1.00 0.45 H new ATOM 0 HD13 LEU A 31 -0.304 -5.109 9.210 1.00 0.45 H new ATOM 0 HD21 LEU A 31 0.890 -5.018 6.386 1.00 0.38 H new ATOM 0 HD22 LEU A 31 0.423 -3.573 7.312 1.00 0.38 H new ATOM 0 HD23 LEU A 31 2.078 -3.726 6.678 1.00 0.38 H new ATOM 451 N ASP A 32 4.418 -2.013 10.884 1.00 0.43 N ATOM 452 CA ASP A 32 4.688 -0.891 11.804 1.00 0.52 C ATOM 453 C ASP A 32 5.893 -0.117 11.293 1.00 0.50 C ATOM 454 O ASP A 32 6.285 0.915 11.843 1.00 0.66 O ATOM 455 CB ASP A 32 4.903 -1.343 13.287 1.00 0.69 C ATOM 456 CG ASP A 32 6.300 -1.861 13.621 1.00 1.46 C ATOM 457 OD1 ASP A 32 6.655 -2.969 13.181 1.00 2.20 O ATOM 458 OD2 ASP A 32 7.079 -1.160 14.290 1.00 1.95 O ATOM 0 H ASP A 32 4.951 -2.863 11.068 1.00 0.43 H new ATOM 0 HA ASP A 32 3.805 -0.252 11.818 1.00 0.52 H new ATOM 0 HB2 ASP A 32 4.681 -0.500 13.941 1.00 0.69 H new ATOM 0 HB3 ASP A 32 4.180 -2.125 13.519 1.00 0.69 H new ATOM 463 N LEU A 33 6.444 -0.626 10.217 1.00 0.42 N ATOM 464 CA LEU A 33 7.571 -0.046 9.521 1.00 0.50 C ATOM 465 C LEU A 33 7.111 1.156 8.691 1.00 0.45 C ATOM 466 O LEU A 33 6.046 1.136 8.123 1.00 0.57 O ATOM 467 CB LEU A 33 8.233 -1.134 8.629 1.00 0.66 C ATOM 468 CG LEU A 33 9.113 -2.180 9.332 1.00 0.80 C ATOM 469 CD1 LEU A 33 9.766 -3.104 8.314 1.00 1.52 C ATOM 470 CD2 LEU A 33 10.181 -1.518 10.170 1.00 1.18 C ATOM 0 H LEU A 33 6.108 -1.487 9.785 1.00 0.42 H new ATOM 0 HA LEU A 33 8.310 0.311 10.238 1.00 0.50 H new ATOM 0 HB2 LEU A 33 7.442 -1.662 8.097 1.00 0.66 H new ATOM 0 HB3 LEU A 33 8.842 -0.630 7.878 1.00 0.66 H new ATOM 0 HG LEU A 33 8.468 -2.766 9.986 1.00 0.80 H new ATOM 0 HD11 LEU A 33 10.385 -3.837 8.832 1.00 1.52 H new ATOM 0 HD12 LEU A 33 8.994 -3.620 7.743 1.00 1.52 H new ATOM 0 HD13 LEU A 33 10.388 -2.518 7.637 1.00 1.52 H new ATOM 0 HD21 LEU A 33 10.788 -2.282 10.655 1.00 1.18 H new ATOM 0 HD22 LEU A 33 10.815 -0.902 9.532 1.00 1.18 H new ATOM 0 HD23 LEU A 33 9.712 -0.891 10.928 1.00 1.18 H new ATOM 482 N ARG A 34 7.896 2.209 8.664 1.00 0.43 N ATOM 483 CA ARG A 34 7.533 3.414 7.911 1.00 0.42 C ATOM 484 C ARG A 34 7.829 3.234 6.436 1.00 0.36 C ATOM 485 O ARG A 34 8.803 2.574 6.079 1.00 0.45 O ATOM 486 CB ARG A 34 8.315 4.642 8.398 1.00 0.58 C ATOM 487 CG ARG A 34 8.041 5.077 9.820 1.00 0.77 C ATOM 488 CD ARG A 34 8.816 6.346 10.145 1.00 1.08 C ATOM 489 NE ARG A 34 10.286 6.140 10.123 1.00 1.82 N ATOM 490 CZ ARG A 34 11.191 6.982 9.575 1.00 2.41 C ATOM 491 NH1 ARG A 34 10.792 8.033 8.871 1.00 2.43 N ATOM 492 NH2 ARG A 34 12.498 6.768 9.745 1.00 3.44 N ATOM 0 H ARG A 34 8.791 2.267 9.150 1.00 0.43 H new ATOM 0 HA ARG A 34 6.466 3.571 8.071 1.00 0.42 H new ATOM 0 HB2 ARG A 34 9.380 4.432 8.301 1.00 0.58 H new ATOM 0 HB3 ARG A 34 8.093 5.477 7.734 1.00 0.58 H new ATOM 0 HG2 ARG A 34 6.973 5.251 9.955 1.00 0.77 H new ATOM 0 HG3 ARG A 34 8.324 4.283 10.511 1.00 0.77 H new ATOM 0 HD2 ARG A 34 8.551 7.123 9.427 1.00 1.08 H new ATOM 0 HD3 ARG A 34 8.518 6.707 11.130 1.00 1.08 H new ATOM 0 HE ARG A 34 10.644 5.290 10.559 1.00 1.82 H new ATOM 0 HH11 ARG A 34 9.796 8.211 8.740 1.00 2.43 H new ATOM 0 HH12 ARG A 34 11.481 8.663 8.461 1.00 2.43 H new ATOM 0 HH21 ARG A 34 12.817 5.967 10.290 1.00 3.44 H new ATOM 0 HH22 ARG A 34 13.177 7.406 9.330 1.00 3.44 H new ATOM 506 N PHE A 35 7.017 3.855 5.571 1.00 0.33 N ATOM 507 CA PHE A 35 7.266 3.815 4.112 1.00 0.33 C ATOM 508 C PHE A 35 8.616 4.434 3.800 1.00 0.38 C ATOM 509 O PHE A 35 9.341 3.978 2.926 1.00 0.43 O ATOM 510 CB PHE A 35 6.196 4.581 3.328 1.00 0.34 C ATOM 511 CG PHE A 35 4.816 4.026 3.434 1.00 0.36 C ATOM 512 CD1 PHE A 35 4.482 2.862 2.781 1.00 0.43 C ATOM 513 CD2 PHE A 35 3.856 4.662 4.205 1.00 0.40 C ATOM 514 CE1 PHE A 35 3.220 2.337 2.884 1.00 0.50 C ATOM 515 CE2 PHE A 35 2.586 4.140 4.314 1.00 0.48 C ATOM 516 CZ PHE A 35 2.249 3.023 3.614 1.00 0.51 C ATOM 0 H PHE A 35 6.190 4.386 5.845 1.00 0.33 H new ATOM 0 HA PHE A 35 7.240 2.767 3.812 1.00 0.33 H new ATOM 0 HB2 PHE A 35 6.183 5.614 3.675 1.00 0.34 H new ATOM 0 HB3 PHE A 35 6.483 4.602 2.277 1.00 0.34 H new ATOM 0 HD1 PHE A 35 5.223 2.356 2.180 1.00 0.43 H new ATOM 0 HD2 PHE A 35 4.106 5.575 4.725 1.00 0.40 H new ATOM 0 HE1 PHE A 35 2.979 1.400 2.404 1.00 0.50 H new ATOM 0 HE2 PHE A 35 1.859 4.617 4.954 1.00 0.48 H new ATOM 0 HZ PHE A 35 1.229 2.667 3.623 1.00 0.51 H new ATOM 526 N GLU A 36 8.940 5.465 4.552 1.00 0.48 N ATOM 527 CA GLU A 36 10.196 6.191 4.419 1.00 0.62 C ATOM 528 C GLU A 36 11.360 5.261 4.723 1.00 0.63 C ATOM 529 O GLU A 36 12.358 5.216 4.004 1.00 0.72 O ATOM 530 CB GLU A 36 10.222 7.319 5.435 1.00 0.83 C ATOM 531 CG GLU A 36 9.043 8.267 5.367 1.00 1.40 C ATOM 532 CD GLU A 36 9.095 9.263 6.483 1.00 1.83 C ATOM 533 OE1 GLU A 36 8.602 8.954 7.582 1.00 2.73 O ATOM 534 OE2 GLU A 36 9.681 10.351 6.296 1.00 1.89 O ATOM 0 H GLU A 36 8.333 5.831 5.285 1.00 0.48 H new ATOM 0 HA GLU A 36 10.280 6.579 3.404 1.00 0.62 H new ATOM 0 HB2 GLU A 36 10.265 6.887 6.435 1.00 0.83 H new ATOM 0 HB3 GLU A 36 11.139 7.892 5.296 1.00 0.83 H new ATOM 0 HG2 GLU A 36 9.044 8.787 4.409 1.00 1.40 H new ATOM 0 HG3 GLU A 36 8.113 7.702 5.422 1.00 1.40 H new ATOM 541 N ASP A 37 11.170 4.485 5.768 1.00 0.61 N ATOM 542 CA ASP A 37 12.173 3.579 6.306 1.00 0.70 C ATOM 543 C ASP A 37 12.445 2.422 5.348 1.00 0.69 C ATOM 544 O ASP A 37 13.574 1.940 5.238 1.00 0.82 O ATOM 545 CB ASP A 37 11.696 3.085 7.668 1.00 0.77 C ATOM 546 CG ASP A 37 12.618 2.103 8.344 1.00 0.98 C ATOM 547 OD1 ASP A 37 13.732 2.488 8.711 1.00 1.27 O ATOM 548 OD2 ASP A 37 12.290 0.916 8.420 1.00 1.36 O ATOM 0 H ASP A 37 10.291 4.463 6.284 1.00 0.61 H new ATOM 0 HA ASP A 37 13.119 4.106 6.426 1.00 0.70 H new ATOM 0 HB2 ASP A 37 11.561 3.945 8.324 1.00 0.77 H new ATOM 0 HB3 ASP A 37 10.718 2.619 7.547 1.00 0.77 H new ATOM 553 N ILE A 38 11.430 2.018 4.614 1.00 0.59 N ATOM 554 CA ILE A 38 11.590 0.960 3.632 1.00 0.63 C ATOM 555 C ILE A 38 11.901 1.499 2.223 1.00 0.63 C ATOM 556 O ILE A 38 11.787 0.785 1.230 1.00 0.66 O ATOM 557 CB ILE A 38 10.417 -0.052 3.617 1.00 0.59 C ATOM 558 CG1 ILE A 38 9.074 0.667 3.415 1.00 0.48 C ATOM 559 CG2 ILE A 38 10.417 -0.876 4.905 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.870 -0.244 3.400 1.00 0.54 C ATOM 0 H ILE A 38 10.487 2.403 4.676 1.00 0.59 H new ATOM 0 HA ILE A 38 12.466 0.400 3.959 1.00 0.63 H new ATOM 0 HB ILE A 38 10.553 -0.732 2.776 1.00 0.59 H new ATOM 0 HG12 ILE A 38 8.947 1.402 4.210 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.109 1.217 2.475 1.00 0.48 H new ATOM 0 HG21 ILE A 38 9.589 -1.584 4.884 1.00 0.67 H new ATOM 0 HG22 ILE A 38 11.358 -1.420 4.989 1.00 0.67 H new ATOM 0 HG23 ILE A 38 10.305 -0.212 5.762 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.967 0.349 3.253 1.00 0.54 H new ATOM 0 HD12 ILE A 38 7.968 -0.964 2.587 1.00 0.54 H new ATOM 0 HD13 ILE A 38 7.804 -0.776 4.349 1.00 0.54 H new ATOM 572 N GLY A 39 12.342 2.750 2.171 1.00 0.63 N ATOM 573 CA GLY A 39 12.838 3.340 0.939 1.00 0.68 C ATOM 574 C GLY A 39 11.785 3.836 -0.034 1.00 0.59 C ATOM 575 O GLY A 39 11.977 3.746 -1.251 1.00 0.70 O ATOM 0 H GLY A 39 12.365 3.377 2.975 1.00 0.63 H new ATOM 0 HA2 GLY A 39 13.488 4.176 1.196 1.00 0.68 H new ATOM 0 HA3 GLY A 39 13.456 2.601 0.429 1.00 0.68 H new ATOM 579 N TYR A 40 10.690 4.355 0.453 1.00 0.45 N ATOM 580 CA TYR A 40 9.684 4.900 -0.439 1.00 0.45 C ATOM 581 C TYR A 40 9.473 6.361 -0.224 1.00 0.47 C ATOM 582 O TYR A 40 9.532 6.852 0.915 1.00 0.62 O ATOM 583 CB TYR A 40 8.365 4.129 -0.381 1.00 0.42 C ATOM 584 CG TYR A 40 8.479 2.793 -1.046 1.00 0.46 C ATOM 585 CD1 TYR A 40 8.884 1.686 -0.329 1.00 0.53 C ATOM 586 CD2 TYR A 40 8.140 2.630 -2.365 1.00 0.57 C ATOM 587 CE1 TYR A 40 8.953 0.448 -0.911 1.00 0.60 C ATOM 588 CE2 TYR A 40 8.191 1.400 -2.958 1.00 0.68 C ATOM 589 CZ TYR A 40 8.773 0.359 -2.305 1.00 0.67 C ATOM 590 OH TYR A 40 8.622 -0.926 -2.832 1.00 0.78 O ATOM 0 H TYR A 40 10.467 4.415 1.446 1.00 0.45 H new ATOM 0 HA TYR A 40 10.077 4.774 -1.448 1.00 0.45 H new ATOM 0 HB2 TYR A 40 8.067 3.994 0.659 1.00 0.42 H new ATOM 0 HB3 TYR A 40 7.581 4.711 -0.865 1.00 0.42 H new ATOM 0 HD1 TYR A 40 9.152 1.798 0.711 1.00 0.53 H new ATOM 0 HD2 TYR A 40 7.828 3.487 -2.944 1.00 0.57 H new ATOM 0 HE1 TYR A 40 9.140 -0.435 -0.318 1.00 0.60 H new ATOM 0 HE2 TYR A 40 7.770 1.255 -3.942 1.00 0.68 H new ATOM 0 HH TYR A 40 7.879 -0.932 -3.472 1.00 0.78 H new ATOM 600 N ASP A 41 9.259 7.067 -1.315 1.00 0.55 N ATOM 601 CA ASP A 41 9.011 8.488 -1.253 1.00 0.69 C ATOM 602 C ASP A 41 7.514 8.691 -1.343 1.00 0.85 C ATOM 603 O ASP A 41 6.802 8.651 -0.339 1.00 1.62 O ATOM 604 CB ASP A 41 9.689 9.249 -2.416 1.00 0.82 C ATOM 605 CG ASP A 41 11.158 8.966 -2.590 1.00 0.99 C ATOM 606 OD1 ASP A 41 11.977 9.623 -1.903 1.00 1.27 O ATOM 607 OD2 ASP A 41 11.523 8.057 -3.362 1.00 1.32 O ATOM 0 H ASP A 41 9.252 6.676 -2.257 1.00 0.55 H new ATOM 0 HA ASP A 41 9.424 8.878 -0.322 1.00 0.69 H new ATOM 0 HB2 ASP A 41 9.174 8.999 -3.343 1.00 0.82 H new ATOM 0 HB3 ASP A 41 9.557 10.319 -2.256 1.00 0.82 H new ATOM 612 N SER A 42 7.041 8.883 -2.551 1.00 0.50 N ATOM 613 CA SER A 42 5.661 8.982 -2.843 1.00 0.53 C ATOM 614 C SER A 42 5.319 8.456 -4.239 1.00 0.51 C ATOM 615 O SER A 42 4.286 7.864 -4.419 1.00 0.48 O ATOM 616 CB SER A 42 5.161 10.388 -2.620 1.00 0.69 C ATOM 617 OG SER A 42 6.258 11.380 -2.656 1.00 1.05 O ATOM 0 H SER A 42 7.638 8.975 -3.373 1.00 0.50 H new ATOM 0 HA SER A 42 5.133 8.333 -2.144 1.00 0.53 H new ATOM 0 HB2 SER A 42 4.424 10.636 -3.383 1.00 0.69 H new ATOM 0 HB3 SER A 42 4.654 10.444 -1.657 1.00 0.69 H new ATOM 622 N LEU A 43 6.199 8.680 -5.202 1.00 0.57 N ATOM 623 CA LEU A 43 6.012 8.236 -6.582 1.00 0.62 C ATOM 624 C LEU A 43 5.847 6.736 -6.642 1.00 0.56 C ATOM 625 O LEU A 43 4.824 6.236 -7.100 1.00 0.58 O ATOM 626 CB LEU A 43 7.199 8.682 -7.449 1.00 0.74 C ATOM 627 CG LEU A 43 7.160 8.251 -8.921 1.00 0.86 C ATOM 628 CD1 LEU A 43 5.927 8.804 -9.613 1.00 1.40 C ATOM 629 CD2 LEU A 43 8.422 8.696 -9.640 1.00 1.19 C ATOM 0 H LEU A 43 7.075 9.181 -5.050 1.00 0.57 H new ATOM 0 HA LEU A 43 5.103 8.694 -6.972 1.00 0.62 H new ATOM 0 HB2 LEU A 43 7.261 9.770 -7.412 1.00 0.74 H new ATOM 0 HB3 LEU A 43 8.115 8.295 -7.002 1.00 0.74 H new ATOM 0 HG LEU A 43 7.109 7.163 -8.956 1.00 0.86 H new ATOM 0 HD11 LEU A 43 5.921 8.485 -10.655 1.00 1.40 H new ATOM 0 HD12 LEU A 43 5.032 8.431 -9.115 1.00 1.40 H new ATOM 0 HD13 LEU A 43 5.941 9.893 -9.567 1.00 1.40 H new ATOM 0 HD21 LEU A 43 8.377 8.382 -10.683 1.00 1.19 H new ATOM 0 HD22 LEU A 43 8.505 9.782 -9.592 1.00 1.19 H new ATOM 0 HD23 LEU A 43 9.291 8.244 -9.162 1.00 1.19 H new ATOM 641 N ALA A 44 6.822 6.030 -6.102 1.00 0.54 N ATOM 642 CA ALA A 44 6.795 4.583 -6.084 1.00 0.54 C ATOM 643 C ALA A 44 5.678 4.090 -5.174 1.00 0.47 C ATOM 644 O ALA A 44 5.144 3.014 -5.358 1.00 0.53 O ATOM 645 CB ALA A 44 8.140 4.043 -5.637 1.00 0.59 C ATOM 0 H ALA A 44 7.648 6.441 -5.667 1.00 0.54 H new ATOM 0 HA ALA A 44 6.598 4.217 -7.092 1.00 0.54 H new ATOM 0 HB1 ALA A 44 8.109 2.953 -5.627 1.00 0.59 H new ATOM 0 HB2 ALA A 44 8.914 4.378 -6.327 1.00 0.59 H new ATOM 0 HB3 ALA A 44 8.364 4.409 -4.635 1.00 0.59 H new ATOM 651 N LEU A 45 5.294 4.935 -4.235 1.00 0.42 N ATOM 652 CA LEU A 45 4.275 4.601 -3.268 1.00 0.38 C ATOM 653 C LEU A 45 2.888 4.711 -3.949 1.00 0.37 C ATOM 654 O LEU A 45 2.032 3.845 -3.759 1.00 0.39 O ATOM 655 CB LEU A 45 4.388 5.551 -2.056 1.00 0.35 C ATOM 656 CG LEU A 45 3.829 5.078 -0.697 1.00 0.37 C ATOM 657 CD1 LEU A 45 4.166 6.094 0.376 1.00 0.38 C ATOM 658 CD2 LEU A 45 2.332 4.877 -0.737 1.00 0.53 C ATOM 0 H LEU A 45 5.682 5.872 -4.125 1.00 0.42 H new ATOM 0 HA LEU A 45 4.405 3.581 -2.907 1.00 0.38 H new ATOM 0 HB2 LEU A 45 5.443 5.787 -1.917 1.00 0.35 H new ATOM 0 HB3 LEU A 45 3.884 6.482 -2.316 1.00 0.35 H new ATOM 0 HG LEU A 45 4.292 4.117 -0.471 1.00 0.37 H new ATOM 0 HD11 LEU A 45 3.770 5.757 1.334 1.00 0.38 H new ATOM 0 HD12 LEU A 45 5.248 6.201 0.449 1.00 0.38 H new ATOM 0 HD13 LEU A 45 3.723 7.056 0.118 1.00 0.38 H new ATOM 0 HD21 LEU A 45 1.983 4.544 0.241 1.00 0.53 H new ATOM 0 HD22 LEU A 45 1.845 5.818 -0.995 1.00 0.53 H new ATOM 0 HD23 LEU A 45 2.086 4.124 -1.486 1.00 0.53 H new ATOM 670 N MET A 46 2.668 5.782 -4.757 1.00 0.37 N ATOM 671 CA MET A 46 1.394 5.914 -5.488 1.00 0.40 C ATOM 672 C MET A 46 1.186 4.728 -6.408 1.00 0.35 C ATOM 673 O MET A 46 0.074 4.210 -6.530 1.00 0.36 O ATOM 674 CB MET A 46 1.299 7.192 -6.337 1.00 0.52 C ATOM 675 CG MET A 46 1.390 8.504 -5.584 1.00 0.70 C ATOM 676 SD MET A 46 0.760 9.881 -6.551 1.00 0.96 S ATOM 677 CE MET A 46 -0.942 9.374 -6.827 1.00 2.41 C ATOM 0 H MET A 46 3.335 6.538 -4.911 1.00 0.37 H new ATOM 0 HA MET A 46 0.623 5.961 -4.719 1.00 0.40 H new ATOM 0 HB2 MET A 46 2.095 7.169 -7.082 1.00 0.52 H new ATOM 0 HB3 MET A 46 0.354 7.173 -6.880 1.00 0.52 H new ATOM 0 HG2 MET A 46 0.828 8.427 -4.653 1.00 0.70 H new ATOM 0 HG3 MET A 46 2.429 8.696 -5.314 1.00 0.70 H new ATOM 0 HE1 MET A 46 -1.606 10.224 -6.665 1.00 2.41 H new ATOM 0 HE2 MET A 46 -1.054 9.016 -7.851 1.00 2.41 H new ATOM 0 HE3 MET A 46 -1.201 8.574 -6.133 1.00 2.41 H new ATOM 687 N GLU A 47 2.273 4.269 -7.015 1.00 0.37 N ATOM 688 CA GLU A 47 2.213 3.155 -7.946 1.00 0.39 C ATOM 689 C GLU A 47 1.852 1.849 -7.225 1.00 0.37 C ATOM 690 O GLU A 47 1.325 0.922 -7.835 1.00 0.43 O ATOM 691 CB GLU A 47 3.521 3.029 -8.716 1.00 0.48 C ATOM 692 CG GLU A 47 3.920 4.321 -9.422 1.00 0.68 C ATOM 693 CD GLU A 47 5.145 4.174 -10.272 1.00 1.41 C ATOM 694 OE1 GLU A 47 6.173 3.691 -9.769 1.00 1.84 O ATOM 695 OE2 GLU A 47 5.132 4.584 -11.437 1.00 2.15 O ATOM 0 H GLU A 47 3.208 4.654 -6.877 1.00 0.37 H new ATOM 0 HA GLU A 47 1.420 3.354 -8.667 1.00 0.39 H new ATOM 0 HB2 GLU A 47 4.315 2.736 -8.029 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.428 2.232 -9.453 1.00 0.48 H new ATOM 0 HG2 GLU A 47 3.091 4.658 -10.045 1.00 0.68 H new ATOM 0 HG3 GLU A 47 4.094 5.096 -8.676 1.00 0.68 H new ATOM 702 N THR A 48 2.119 1.805 -5.928 1.00 0.36 N ATOM 703 CA THR A 48 1.739 0.689 -5.085 1.00 0.39 C ATOM 704 C THR A 48 0.222 0.710 -4.870 1.00 0.35 C ATOM 705 O THR A 48 -0.462 -0.294 -5.092 1.00 0.40 O ATOM 706 CB THR A 48 2.453 0.800 -3.726 1.00 0.43 C ATOM 707 OG1 THR A 48 3.864 0.814 -3.941 1.00 0.51 O ATOM 708 CG2 THR A 48 2.082 -0.361 -2.808 1.00 0.51 C ATOM 0 H THR A 48 2.609 2.549 -5.431 1.00 0.36 H new ATOM 0 HA THR A 48 2.027 -0.245 -5.567 1.00 0.39 H new ATOM 0 HB THR A 48 2.137 1.724 -3.241 1.00 0.43 H new ATOM 0 HG1 THR A 48 4.076 0.313 -4.756 1.00 0.51 H new ATOM 0 HG21 THR A 48 2.603 -0.253 -1.856 1.00 0.51 H new ATOM 0 HG22 THR A 48 1.006 -0.359 -2.635 1.00 0.51 H new ATOM 0 HG23 THR A 48 2.372 -1.302 -3.276 1.00 0.51 H new ATOM 716 N ALA A 49 -0.294 1.861 -4.430 1.00 0.31 N ATOM 717 CA ALA A 49 -1.729 2.038 -4.198 1.00 0.32 C ATOM 718 C ALA A 49 -2.509 1.732 -5.467 1.00 0.30 C ATOM 719 O ALA A 49 -3.547 1.060 -5.424 1.00 0.32 O ATOM 720 CB ALA A 49 -2.016 3.454 -3.736 1.00 0.38 C ATOM 0 H ALA A 49 0.266 2.689 -4.226 1.00 0.31 H new ATOM 0 HA ALA A 49 -2.044 1.345 -3.418 1.00 0.32 H new ATOM 0 HB1 ALA A 49 -3.086 3.572 -3.567 1.00 0.38 H new ATOM 0 HB2 ALA A 49 -1.479 3.650 -2.808 1.00 0.38 H new ATOM 0 HB3 ALA A 49 -1.689 4.159 -4.500 1.00 0.38 H new ATOM 726 N ALA A 50 -1.958 2.173 -6.596 1.00 0.29 N ATOM 727 CA ALA A 50 -2.546 1.955 -7.907 1.00 0.31 C ATOM 728 C ALA A 50 -2.762 0.467 -8.195 1.00 0.31 C ATOM 729 O ALA A 50 -3.759 0.097 -8.805 1.00 0.35 O ATOM 730 CB ALA A 50 -1.679 2.581 -8.988 1.00 0.39 C ATOM 0 H ALA A 50 -1.083 2.696 -6.622 1.00 0.29 H new ATOM 0 HA ALA A 50 -3.524 2.436 -7.911 1.00 0.31 H new ATOM 0 HB1 ALA A 50 -2.133 2.409 -9.964 1.00 0.39 H new ATOM 0 HB2 ALA A 50 -1.595 3.653 -8.811 1.00 0.39 H new ATOM 0 HB3 ALA A 50 -0.687 2.130 -8.965 1.00 0.39 H new ATOM 736 N ARG A 51 -1.850 -0.384 -7.716 1.00 0.32 N ATOM 737 CA ARG A 51 -1.955 -1.840 -7.928 1.00 0.38 C ATOM 738 C ARG A 51 -3.223 -2.357 -7.256 1.00 0.37 C ATOM 739 O ARG A 51 -4.021 -3.078 -7.854 1.00 0.47 O ATOM 740 CB ARG A 51 -0.752 -2.586 -7.315 1.00 0.49 C ATOM 741 CG ARG A 51 0.608 -2.057 -7.712 1.00 0.97 C ATOM 742 CD ARG A 51 0.853 -2.138 -9.201 1.00 0.98 C ATOM 743 NE ARG A 51 2.114 -1.477 -9.565 1.00 1.92 N ATOM 744 CZ ARG A 51 3.027 -1.979 -10.417 1.00 2.31 C ATOM 745 NH1 ARG A 51 2.909 -3.238 -10.849 1.00 2.05 N ATOM 746 NH2 ARG A 51 4.085 -1.251 -10.784 1.00 3.40 N ATOM 0 H ARG A 51 -1.031 -0.096 -7.180 1.00 0.32 H new ATOM 0 HA ARG A 51 -1.977 -2.020 -9.003 1.00 0.38 H new ATOM 0 HB2 ARG A 51 -0.836 -2.546 -6.229 1.00 0.49 H new ATOM 0 HB3 ARG A 51 -0.813 -3.636 -7.601 1.00 0.49 H new ATOM 0 HG2 ARG A 51 0.698 -1.020 -7.389 1.00 0.97 H new ATOM 0 HG3 ARG A 51 1.380 -2.622 -7.190 1.00 0.97 H new ATOM 0 HD2 ARG A 51 0.883 -3.182 -9.512 1.00 0.98 H new ATOM 0 HD3 ARG A 51 0.026 -1.670 -9.735 1.00 0.98 H new ATOM 0 HE ARG A 51 2.312 -0.571 -9.141 1.00 1.92 H new ATOM 0 HH11 ARG A 51 2.129 -3.815 -10.533 1.00 2.05 H new ATOM 0 HH12 ARG A 51 3.599 -3.622 -11.495 1.00 2.05 H new ATOM 0 HH21 ARG A 51 4.206 -0.307 -10.418 1.00 3.40 H new ATOM 0 HH22 ARG A 51 4.772 -1.639 -11.430 1.00 3.40 H new ATOM 760 N LEU A 52 -3.422 -1.925 -6.025 1.00 0.32 N ATOM 761 CA LEU A 52 -4.553 -2.355 -5.221 1.00 0.34 C ATOM 762 C LEU A 52 -5.851 -1.794 -5.780 1.00 0.33 C ATOM 763 O LEU A 52 -6.858 -2.521 -5.898 1.00 0.40 O ATOM 764 CB LEU A 52 -4.360 -1.934 -3.762 1.00 0.35 C ATOM 765 CG LEU A 52 -3.078 -2.444 -3.089 1.00 0.38 C ATOM 766 CD1 LEU A 52 -3.005 -1.965 -1.652 1.00 0.43 C ATOM 767 CD2 LEU A 52 -2.994 -3.968 -3.154 1.00 0.39 C ATOM 0 H LEU A 52 -2.804 -1.265 -5.553 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.612 -3.443 -5.258 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.366 -0.845 -3.713 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.216 -2.284 -3.185 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.225 -2.037 -3.633 1.00 0.38 H new ATOM 0 HD11 LEU A 52 -2.090 -2.336 -1.191 1.00 0.43 H new ATOM 0 HD12 LEU A 52 -3.006 -0.875 -1.631 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -3.867 -2.339 -1.100 1.00 0.43 H new ATOM 0 HD21 LEU A 52 -2.076 -4.303 -2.670 1.00 0.39 H new ATOM 0 HD22 LEU A 52 -3.853 -4.402 -2.642 1.00 0.39 H new ATOM 0 HD23 LEU A 52 -2.992 -4.288 -4.196 1.00 0.39 H new ATOM 779 N GLU A 53 -5.818 -0.520 -6.163 1.00 0.28 N ATOM 780 CA GLU A 53 -6.968 0.146 -6.750 1.00 0.29 C ATOM 781 C GLU A 53 -7.390 -0.534 -8.053 1.00 0.31 C ATOM 782 O GLU A 53 -8.577 -0.668 -8.326 1.00 0.35 O ATOM 783 CB GLU A 53 -6.690 1.638 -7.022 1.00 0.29 C ATOM 784 CG GLU A 53 -6.431 2.492 -5.788 1.00 0.35 C ATOM 785 CD GLU A 53 -6.335 3.971 -6.125 1.00 0.41 C ATOM 786 OE1 GLU A 53 -7.369 4.630 -6.295 1.00 0.51 O ATOM 787 OE2 GLU A 53 -5.201 4.497 -6.231 1.00 0.53 O ATOM 0 H GLU A 53 -4.994 0.075 -6.074 1.00 0.28 H new ATOM 0 HA GLU A 53 -7.777 0.071 -6.024 1.00 0.29 H new ATOM 0 HB2 GLU A 53 -5.827 1.714 -7.683 1.00 0.29 H new ATOM 0 HB3 GLU A 53 -7.541 2.056 -7.560 1.00 0.29 H new ATOM 0 HG2 GLU A 53 -7.232 2.337 -5.066 1.00 0.35 H new ATOM 0 HG3 GLU A 53 -5.505 2.169 -5.312 1.00 0.35 H new ATOM 794 N SER A 54 -6.423 -0.979 -8.826 1.00 0.35 N ATOM 795 CA SER A 54 -6.697 -1.611 -10.105 1.00 0.43 C ATOM 796 C SER A 54 -7.157 -3.071 -9.940 1.00 0.47 C ATOM 797 O SER A 54 -8.094 -3.516 -10.608 1.00 0.61 O ATOM 798 CB SER A 54 -5.453 -1.536 -10.990 1.00 0.49 C ATOM 799 OG SER A 54 -4.998 -0.186 -11.107 1.00 1.16 O ATOM 0 H SER A 54 -5.432 -0.915 -8.592 1.00 0.35 H new ATOM 0 HA SER A 54 -7.516 -1.071 -10.580 1.00 0.43 H new ATOM 0 HB2 SER A 54 -4.662 -2.156 -10.568 1.00 0.49 H new ATOM 0 HB3 SER A 54 -5.679 -1.936 -11.978 1.00 0.49 H new ATOM 0 HG SER A 54 -4.723 0.144 -10.226 1.00 1.16 H new ATOM 805 N ARG A 55 -6.511 -3.808 -9.047 1.00 0.40 N ATOM 806 CA ARG A 55 -6.844 -5.211 -8.853 1.00 0.46 C ATOM 807 C ARG A 55 -8.197 -5.403 -8.170 1.00 0.47 C ATOM 808 O ARG A 55 -9.080 -6.067 -8.707 1.00 0.57 O ATOM 809 CB ARG A 55 -5.745 -5.942 -8.079 1.00 0.50 C ATOM 810 CG ARG A 55 -6.070 -7.404 -7.799 1.00 0.61 C ATOM 811 CD ARG A 55 -4.948 -8.094 -7.063 1.00 0.75 C ATOM 812 NE ARG A 55 -5.325 -9.447 -6.653 1.00 1.28 N ATOM 813 CZ ARG A 55 -4.795 -10.104 -5.620 1.00 1.65 C ATOM 814 NH1 ARG A 55 -3.775 -9.583 -4.964 1.00 1.46 N ATOM 815 NH2 ARG A 55 -5.269 -11.288 -5.262 1.00 2.65 N ATOM 0 H ARG A 55 -5.760 -3.461 -8.450 1.00 0.40 H new ATOM 0 HA ARG A 55 -6.919 -5.649 -9.848 1.00 0.46 H new ATOM 0 HB2 ARG A 55 -4.815 -5.886 -8.644 1.00 0.50 H new ATOM 0 HB3 ARG A 55 -5.574 -5.428 -7.133 1.00 0.50 H new ATOM 0 HG2 ARG A 55 -6.985 -7.467 -7.210 1.00 0.61 H new ATOM 0 HG3 ARG A 55 -6.260 -7.921 -8.739 1.00 0.61 H new ATOM 0 HD2 ARG A 55 -4.066 -8.139 -7.702 1.00 0.75 H new ATOM 0 HD3 ARG A 55 -4.675 -7.510 -6.184 1.00 0.75 H new ATOM 0 HE ARG A 55 -6.045 -9.922 -7.197 1.00 1.28 H new ATOM 0 HH11 ARG A 55 -3.394 -8.680 -5.247 1.00 1.46 H new ATOM 0 HH12 ARG A 55 -3.368 -10.083 -4.174 1.00 1.46 H new ATOM 0 HH21 ARG A 55 -6.045 -11.704 -5.777 1.00 2.65 H new ATOM 0 HH22 ARG A 55 -4.858 -11.784 -4.471 1.00 2.65 H new ATOM 829 N TYR A 56 -8.368 -4.810 -7.008 1.00 0.42 N ATOM 830 CA TYR A 56 -9.588 -5.017 -6.250 1.00 0.47 C ATOM 831 C TYR A 56 -10.701 -4.076 -6.675 1.00 0.50 C ATOM 832 O TYR A 56 -11.886 -4.389 -6.505 1.00 0.67 O ATOM 833 CB TYR A 56 -9.326 -4.946 -4.742 1.00 0.52 C ATOM 834 CG TYR A 56 -8.554 -6.139 -4.205 1.00 0.53 C ATOM 835 CD1 TYR A 56 -9.189 -7.332 -3.857 1.00 0.62 C ATOM 836 CD2 TYR A 56 -7.182 -6.062 -4.047 1.00 0.59 C ATOM 837 CE1 TYR A 56 -8.464 -8.412 -3.361 1.00 0.70 C ATOM 838 CE2 TYR A 56 -6.453 -7.123 -3.561 1.00 0.65 C ATOM 839 CZ TYR A 56 -7.186 -8.364 -3.224 1.00 0.67 C ATOM 840 OH TYR A 56 -6.331 -9.345 -2.722 1.00 0.79 O ATOM 0 H TYR A 56 -7.689 -4.188 -6.570 1.00 0.42 H new ATOM 0 HA TYR A 56 -9.935 -6.025 -6.477 1.00 0.47 H new ATOM 0 HB2 TYR A 56 -8.771 -4.034 -4.520 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.279 -4.874 -4.218 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -10.259 -7.419 -3.974 1.00 0.62 H new ATOM 0 HD2 TYR A 56 -6.671 -5.148 -4.311 1.00 0.59 H new ATOM 0 HE1 TYR A 56 -8.989 -9.314 -3.084 1.00 0.70 H new ATOM 0 HE2 TYR A 56 -5.383 -7.053 -3.430 1.00 0.65 H new ATOM 0 HH TYR A 56 -5.818 -8.979 -1.972 1.00 0.79 H new ATOM 850 N GLY A 57 -10.331 -2.954 -7.250 1.00 0.41 N ATOM 851 CA GLY A 57 -11.321 -2.006 -7.703 1.00 0.45 C ATOM 852 C GLY A 57 -11.722 -1.037 -6.618 1.00 0.46 C ATOM 853 O GLY A 57 -12.883 -0.996 -6.215 1.00 0.61 O ATOM 0 H GLY A 57 -9.363 -2.678 -7.413 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -10.927 -1.452 -8.555 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -12.203 -2.543 -8.052 1.00 0.45 H new ATOM 857 N VAL A 58 -10.759 -0.269 -6.126 1.00 0.38 N ATOM 858 CA VAL A 58 -11.044 0.717 -5.095 1.00 0.42 C ATOM 859 C VAL A 58 -10.637 2.097 -5.607 1.00 0.45 C ATOM 860 O VAL A 58 -10.098 2.200 -6.725 1.00 0.51 O ATOM 861 CB VAL A 58 -10.353 0.398 -3.703 1.00 0.42 C ATOM 862 CG1 VAL A 58 -10.436 -1.070 -3.378 1.00 0.59 C ATOM 863 CG2 VAL A 58 -8.910 0.865 -3.607 1.00 0.57 C ATOM 0 H VAL A 58 -9.783 -0.309 -6.421 1.00 0.38 H new ATOM 0 HA VAL A 58 -12.115 0.687 -4.896 1.00 0.42 H new ATOM 0 HB VAL A 58 -10.917 0.971 -2.967 1.00 0.42 H new ATOM 0 HG11 VAL A 58 -9.954 -1.258 -2.419 1.00 0.59 H new ATOM 0 HG12 VAL A 58 -11.482 -1.372 -3.324 1.00 0.59 H new ATOM 0 HG13 VAL A 58 -9.932 -1.644 -4.156 1.00 0.59 H new ATOM 0 HG21 VAL A 58 -8.510 0.610 -2.626 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -8.317 0.375 -4.380 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -8.867 1.945 -3.747 1.00 0.57 H new ATOM 873 N SER A 59 -10.891 3.128 -4.846 1.00 0.51 N ATOM 874 CA SER A 59 -10.507 4.470 -5.228 1.00 0.61 C ATOM 875 C SER A 59 -9.916 5.194 -4.007 1.00 0.56 C ATOM 876 O SER A 59 -10.600 5.372 -2.993 1.00 0.63 O ATOM 877 CB SER A 59 -11.738 5.215 -5.761 1.00 0.84 C ATOM 878 OG SER A 59 -12.410 4.430 -6.751 1.00 1.59 O ATOM 0 H SER A 59 -11.368 3.067 -3.946 1.00 0.51 H new ATOM 0 HA SER A 59 -9.752 4.438 -6.013 1.00 0.61 H new ATOM 0 HB2 SER A 59 -12.420 5.437 -4.940 1.00 0.84 H new ATOM 0 HB3 SER A 59 -11.435 6.170 -6.190 1.00 0.84 H new ATOM 0 HG SER A 59 -13.193 4.919 -7.080 1.00 1.59 H new ATOM 884 N ILE A 60 -8.649 5.549 -4.086 1.00 0.50 N ATOM 885 CA ILE A 60 -7.961 6.234 -2.997 1.00 0.48 C ATOM 886 C ILE A 60 -7.844 7.739 -3.290 1.00 0.53 C ATOM 887 O ILE A 60 -7.083 8.151 -4.178 1.00 0.63 O ATOM 888 CB ILE A 60 -6.538 5.640 -2.740 1.00 0.48 C ATOM 889 CG1 ILE A 60 -6.620 4.147 -2.386 1.00 0.64 C ATOM 890 CG2 ILE A 60 -5.803 6.409 -1.634 1.00 0.53 C ATOM 891 CD1 ILE A 60 -7.429 3.846 -1.141 1.00 0.75 C ATOM 0 H ILE A 60 -8.064 5.374 -4.903 1.00 0.50 H new ATOM 0 HA ILE A 60 -8.560 6.084 -2.099 1.00 0.48 H new ATOM 0 HB ILE A 60 -5.969 5.746 -3.664 1.00 0.48 H new ATOM 0 HG12 ILE A 60 -7.056 3.609 -3.228 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -5.609 3.761 -2.251 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -4.817 5.971 -1.480 1.00 0.53 H new ATOM 0 HG22 ILE A 60 -5.694 7.453 -1.927 1.00 0.53 H new ATOM 0 HG23 ILE A 60 -6.375 6.350 -0.708 1.00 0.53 H new ATOM 0 HD11 ILE A 60 -7.436 2.771 -0.963 1.00 0.75 H new ATOM 0 HD12 ILE A 60 -6.982 4.353 -0.285 1.00 0.75 H new ATOM 0 HD13 ILE A 60 -8.452 4.198 -1.278 1.00 0.75 H new ATOM 903 N PRO A 61 -8.602 8.568 -2.564 1.00 0.65 N ATOM 904 CA PRO A 61 -8.566 10.024 -2.715 1.00 0.77 C ATOM 905 C PRO A 61 -7.265 10.605 -2.148 1.00 0.65 C ATOM 906 O PRO A 61 -6.791 10.160 -1.105 1.00 0.57 O ATOM 907 CB PRO A 61 -9.764 10.502 -1.878 1.00 0.97 C ATOM 908 CG PRO A 61 -10.552 9.278 -1.571 1.00 1.08 C ATOM 909 CD PRO A 61 -9.566 8.161 -1.544 1.00 0.83 C ATOM 0 HA PRO A 61 -8.612 10.336 -3.758 1.00 0.77 H new ATOM 0 HB2 PRO A 61 -9.432 10.994 -0.964 1.00 0.97 H new ATOM 0 HB3 PRO A 61 -10.364 11.226 -2.430 1.00 0.97 H new ATOM 0 HG2 PRO A 61 -11.064 9.372 -0.613 1.00 1.08 H new ATOM 0 HG3 PRO A 61 -11.318 9.106 -2.327 1.00 1.08 H new ATOM 0 HD2 PRO A 61 -9.100 8.054 -0.564 1.00 0.83 H new ATOM 0 HD3 PRO A 61 -10.030 7.204 -1.782 1.00 0.83 H new ATOM 917 N ASP A 62 -6.718 11.616 -2.818 1.00 0.74 N ATOM 918 CA ASP A 62 -5.404 12.218 -2.453 1.00 0.73 C ATOM 919 C ASP A 62 -5.398 12.789 -1.034 1.00 0.62 C ATOM 920 O ASP A 62 -4.371 12.770 -0.352 1.00 0.64 O ATOM 921 CB ASP A 62 -4.954 13.314 -3.457 1.00 0.93 C ATOM 922 CG ASP A 62 -5.739 14.615 -3.360 1.00 1.44 C ATOM 923 OD1 ASP A 62 -6.883 14.676 -3.877 1.00 1.92 O ATOM 924 OD2 ASP A 62 -5.232 15.591 -2.760 1.00 2.07 O ATOM 0 H ASP A 62 -7.158 12.052 -3.629 1.00 0.74 H new ATOM 0 HA ASP A 62 -4.689 11.397 -2.497 1.00 0.73 H new ATOM 0 HB2 ASP A 62 -3.898 13.528 -3.294 1.00 0.93 H new ATOM 0 HB3 ASP A 62 -5.047 12.922 -4.470 1.00 0.93 H new ATOM 929 N ASP A 63 -6.543 13.256 -0.579 1.00 0.63 N ATOM 930 CA ASP A 63 -6.661 13.840 0.758 1.00 0.61 C ATOM 931 C ASP A 63 -6.626 12.755 1.822 1.00 0.59 C ATOM 932 O ASP A 63 -6.067 12.941 2.892 1.00 0.64 O ATOM 933 CB ASP A 63 -7.939 14.685 0.886 1.00 0.77 C ATOM 934 CG ASP A 63 -9.210 13.895 0.713 1.00 1.36 C ATOM 935 OD1 ASP A 63 -9.468 13.380 -0.402 1.00 2.00 O ATOM 936 OD2 ASP A 63 -9.981 13.783 1.686 1.00 2.10 O ATOM 0 H ASP A 63 -7.413 13.246 -1.112 1.00 0.63 H new ATOM 0 HA ASP A 63 -5.808 14.501 0.911 1.00 0.61 H new ATOM 0 HB2 ASP A 63 -7.950 15.164 1.865 1.00 0.77 H new ATOM 0 HB3 ASP A 63 -7.913 15.481 0.142 1.00 0.77 H new ATOM 941 N VAL A 64 -7.173 11.606 1.490 1.00 0.62 N ATOM 942 CA VAL A 64 -7.223 10.484 2.408 1.00 0.69 C ATOM 943 C VAL A 64 -5.899 9.708 2.338 1.00 0.67 C ATOM 944 O VAL A 64 -5.484 9.050 3.293 1.00 0.78 O ATOM 945 CB VAL A 64 -8.423 9.543 2.063 1.00 0.82 C ATOM 946 CG1 VAL A 64 -8.572 8.433 3.077 1.00 0.98 C ATOM 947 CG2 VAL A 64 -9.723 10.329 1.957 1.00 0.90 C ATOM 0 H VAL A 64 -7.595 11.421 0.580 1.00 0.62 H new ATOM 0 HA VAL A 64 -7.368 10.860 3.421 1.00 0.69 H new ATOM 0 HB VAL A 64 -8.205 9.092 1.095 1.00 0.82 H new ATOM 0 HG11 VAL A 64 -9.416 7.801 2.803 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -7.662 7.834 3.097 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -8.746 8.862 4.064 1.00 0.98 H new ATOM 0 HG21 VAL A 64 -10.540 9.649 1.716 1.00 0.90 H new ATOM 0 HG22 VAL A 64 -9.929 10.822 2.907 1.00 0.90 H new ATOM 0 HG23 VAL A 64 -9.632 11.079 1.172 1.00 0.90 H new ATOM 957 N ALA A 65 -5.229 9.850 1.215 1.00 0.61 N ATOM 958 CA ALA A 65 -3.974 9.170 0.946 1.00 0.67 C ATOM 959 C ALA A 65 -2.845 9.694 1.825 1.00 0.64 C ATOM 960 O ALA A 65 -2.023 8.927 2.313 1.00 0.74 O ATOM 961 CB ALA A 65 -3.611 9.323 -0.516 1.00 0.77 C ATOM 0 H ALA A 65 -5.542 10.448 0.451 1.00 0.61 H new ATOM 0 HA ALA A 65 -4.109 8.114 1.181 1.00 0.67 H new ATOM 0 HB1 ALA A 65 -2.669 8.811 -0.712 1.00 0.77 H new ATOM 0 HB2 ALA A 65 -4.396 8.887 -1.133 1.00 0.77 H new ATOM 0 HB3 ALA A 65 -3.506 10.381 -0.756 1.00 0.77 H new ATOM 967 N GLY A 66 -2.837 10.986 2.075 1.00 0.58 N ATOM 968 CA GLY A 66 -1.763 11.589 2.854 1.00 0.66 C ATOM 969 C GLY A 66 -1.945 11.435 4.358 1.00 0.68 C ATOM 970 O GLY A 66 -1.611 12.337 5.116 1.00 0.86 O ATOM 0 H GLY A 66 -3.553 11.639 1.756 1.00 0.58 H new ATOM 0 HA2 GLY A 66 -0.815 11.137 2.562 1.00 0.66 H new ATOM 0 HA3 GLY A 66 -1.699 12.649 2.610 1.00 0.66 H new ATOM 974 N ARG A 67 -2.473 10.297 4.780 1.00 0.64 N ATOM 975 CA ARG A 67 -2.720 10.023 6.191 1.00 0.79 C ATOM 976 C ARG A 67 -2.164 8.653 6.568 1.00 0.77 C ATOM 977 O ARG A 67 -2.412 8.141 7.657 1.00 0.95 O ATOM 978 CB ARG A 67 -4.230 10.082 6.485 1.00 0.94 C ATOM 979 CG ARG A 67 -4.846 11.433 6.182 1.00 1.12 C ATOM 980 CD ARG A 67 -6.340 11.448 6.392 1.00 1.40 C ATOM 981 NE ARG A 67 -6.893 12.743 6.005 1.00 1.89 N ATOM 982 CZ ARG A 67 -8.118 12.953 5.503 1.00 2.51 C ATOM 983 NH1 ARG A 67 -9.006 11.955 5.423 1.00 2.93 N ATOM 984 NH2 ARG A 67 -8.452 14.175 5.094 1.00 3.22 N ATOM 0 H ARG A 67 -2.743 9.536 4.156 1.00 0.64 H new ATOM 0 HA ARG A 67 -2.215 10.782 6.789 1.00 0.79 H new ATOM 0 HB2 ARG A 67 -4.738 9.318 5.896 1.00 0.94 H new ATOM 0 HB3 ARG A 67 -4.399 9.840 7.534 1.00 0.94 H new ATOM 0 HG2 ARG A 67 -4.386 12.189 6.818 1.00 1.12 H new ATOM 0 HG3 ARG A 67 -4.625 11.706 5.150 1.00 1.12 H new ATOM 0 HD2 ARG A 67 -6.805 10.656 5.804 1.00 1.40 H new ATOM 0 HD3 ARG A 67 -6.569 11.245 7.438 1.00 1.40 H new ATOM 0 HE ARG A 67 -6.294 13.560 6.127 1.00 1.89 H new ATOM 0 HH11 ARG A 67 -8.754 11.021 5.746 1.00 2.93 H new ATOM 0 HH12 ARG A 67 -9.935 12.128 5.039 1.00 2.93 H new ATOM 0 HH21 ARG A 67 -7.779 14.938 5.165 1.00 3.22 H new ATOM 0 HH22 ARG A 67 -9.381 14.348 4.710 1.00 3.22 H new ATOM 998 N VAL A 68 -1.404 8.066 5.670 1.00 0.62 N ATOM 999 CA VAL A 68 -0.835 6.753 5.912 1.00 0.66 C ATOM 1000 C VAL A 68 0.637 6.850 6.327 1.00 0.67 C ATOM 1001 O VAL A 68 1.523 7.188 5.532 1.00 1.00 O ATOM 1002 CB VAL A 68 -1.033 5.793 4.693 1.00 0.68 C ATOM 1003 CG1 VAL A 68 -2.510 5.504 4.504 1.00 0.77 C ATOM 1004 CG2 VAL A 68 -0.454 6.372 3.406 1.00 0.64 C ATOM 0 H VAL A 68 -1.164 8.474 4.766 1.00 0.62 H new ATOM 0 HA VAL A 68 -1.382 6.315 6.747 1.00 0.66 H new ATOM 0 HB VAL A 68 -0.495 4.870 4.910 1.00 0.68 H new ATOM 0 HG11 VAL A 68 -2.644 4.835 3.654 1.00 0.77 H new ATOM 0 HG12 VAL A 68 -2.906 5.032 5.403 1.00 0.77 H new ATOM 0 HG13 VAL A 68 -3.043 6.437 4.319 1.00 0.77 H new ATOM 0 HG21 VAL A 68 -0.615 5.671 2.587 1.00 0.64 H new ATOM 0 HG22 VAL A 68 -0.948 7.316 3.177 1.00 0.64 H new ATOM 0 HG23 VAL A 68 0.615 6.543 3.533 1.00 0.64 H new ATOM 1014 N ASP A 69 0.882 6.634 7.595 1.00 0.54 N ATOM 1015 CA ASP A 69 2.243 6.680 8.112 1.00 0.64 C ATOM 1016 C ASP A 69 2.946 5.367 7.829 1.00 0.50 C ATOM 1017 O ASP A 69 4.073 5.342 7.323 1.00 0.54 O ATOM 1018 CB ASP A 69 2.260 6.988 9.614 1.00 0.99 C ATOM 1019 CG ASP A 69 3.668 7.163 10.161 1.00 1.11 C ATOM 1020 OD1 ASP A 69 4.288 8.234 9.910 1.00 1.37 O ATOM 1021 OD2 ASP A 69 4.162 6.279 10.894 1.00 1.84 O ATOM 0 H ASP A 69 0.167 6.425 8.292 1.00 0.54 H new ATOM 0 HA ASP A 69 2.774 7.486 7.606 1.00 0.64 H new ATOM 0 HB2 ASP A 69 1.686 7.896 9.801 1.00 0.99 H new ATOM 0 HB3 ASP A 69 1.763 6.181 10.152 1.00 0.99 H new ATOM 1026 N THR A 70 2.267 4.280 8.115 1.00 0.43 N ATOM 1027 CA THR A 70 2.812 2.966 7.889 1.00 0.37 C ATOM 1028 C THR A 70 1.877 2.156 6.974 1.00 0.33 C ATOM 1029 O THR A 70 0.723 2.572 6.724 1.00 0.34 O ATOM 1030 CB THR A 70 2.962 2.222 9.228 1.00 0.42 C ATOM 1031 OG1 THR A 70 1.676 2.072 9.830 1.00 0.51 O ATOM 1032 CG2 THR A 70 3.870 2.981 10.164 1.00 0.44 C ATOM 0 H THR A 70 1.326 4.284 8.509 1.00 0.43 H new ATOM 0 HA THR A 70 3.787 3.073 7.415 1.00 0.37 H new ATOM 0 HB THR A 70 3.402 1.243 9.037 1.00 0.42 H new ATOM 0 HG1 THR A 70 1.428 2.905 10.283 1.00 0.51 H new ATOM 0 HG21 THR A 70 3.961 2.436 11.104 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.855 3.087 9.709 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.451 3.969 10.356 1.00 0.44 H new ATOM 1040 N PRO A 71 2.356 1.005 6.428 1.00 0.32 N ATOM 1041 CA PRO A 71 1.528 0.078 5.652 1.00 0.31 C ATOM 1042 C PRO A 71 0.352 -0.444 6.469 1.00 0.29 C ATOM 1043 O PRO A 71 -0.627 -0.894 5.911 1.00 0.33 O ATOM 1044 CB PRO A 71 2.491 -1.061 5.313 1.00 0.34 C ATOM 1045 CG PRO A 71 3.818 -0.419 5.338 1.00 0.38 C ATOM 1046 CD PRO A 71 3.750 0.551 6.466 1.00 0.36 C ATOM 0 HA PRO A 71 1.088 0.551 4.774 1.00 0.31 H new ATOM 0 HB2 PRO A 71 2.425 -1.871 6.040 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.273 -1.491 4.336 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.609 -1.152 5.494 1.00 0.38 H new ATOM 0 HG3 PRO A 71 4.032 0.085 4.395 1.00 0.38 H new ATOM 0 HD2 PRO A 71 3.995 0.080 7.418 1.00 0.36 H new ATOM 0 HD3 PRO A 71 4.447 1.378 6.330 1.00 0.36 H new ATOM 1054 N ARG A 72 0.468 -0.372 7.794 1.00 0.30 N ATOM 1055 CA ARG A 72 -0.613 -0.725 8.704 1.00 0.34 C ATOM 1056 C ARG A 72 -1.804 0.187 8.401 1.00 0.36 C ATOM 1057 O ARG A 72 -2.914 -0.283 8.143 1.00 0.43 O ATOM 1058 CB ARG A 72 -0.127 -0.522 10.140 1.00 0.41 C ATOM 1059 CG ARG A 72 -1.131 -0.803 11.246 1.00 0.54 C ATOM 1060 CD ARG A 72 -0.542 -0.375 12.583 1.00 0.69 C ATOM 1061 NE ARG A 72 -0.151 1.042 12.535 1.00 0.75 N ATOM 1062 CZ ARG A 72 0.857 1.623 13.196 1.00 0.98 C ATOM 1063 NH1 ARG A 72 1.542 0.956 14.127 1.00 1.38 N ATOM 1064 NH2 ARG A 72 1.163 2.897 12.914 1.00 1.16 N ATOM 0 H ARG A 72 1.319 -0.066 8.265 1.00 0.30 H new ATOM 0 HA ARG A 72 -0.915 -1.765 8.580 1.00 0.34 H new ATOM 0 HB2 ARG A 72 0.742 -1.161 10.299 1.00 0.41 H new ATOM 0 HB3 ARG A 72 0.212 0.509 10.242 1.00 0.41 H new ATOM 0 HG2 ARG A 72 -2.059 -0.264 11.056 1.00 0.54 H new ATOM 0 HG3 ARG A 72 -1.378 -1.865 11.268 1.00 0.54 H new ATOM 0 HD2 ARG A 72 -1.272 -0.532 13.377 1.00 0.69 H new ATOM 0 HD3 ARG A 72 0.325 -0.991 12.821 1.00 0.69 H new ATOM 0 HE ARG A 72 -0.709 1.647 11.933 1.00 0.75 H new ATOM 0 HH11 ARG A 72 1.300 -0.011 14.344 1.00 1.38 H new ATOM 0 HH12 ARG A 72 2.308 1.413 14.622 1.00 1.38 H new ATOM 0 HH21 ARG A 72 0.631 3.405 12.207 1.00 1.16 H new ATOM 0 HH22 ARG A 72 1.928 3.359 13.406 1.00 1.16 H new ATOM 1078 N GLU A 73 -1.534 1.496 8.359 1.00 0.37 N ATOM 1079 CA GLU A 73 -2.548 2.493 8.015 1.00 0.42 C ATOM 1080 C GLU A 73 -3.051 2.281 6.608 1.00 0.40 C ATOM 1081 O GLU A 73 -4.226 2.381 6.360 1.00 0.44 O ATOM 1082 CB GLU A 73 -2.031 3.947 8.143 1.00 0.50 C ATOM 1083 CG GLU A 73 -1.940 4.508 9.556 1.00 0.63 C ATOM 1084 CD GLU A 73 -1.021 3.741 10.440 1.00 0.74 C ATOM 1085 OE1 GLU A 73 -1.476 2.790 11.083 1.00 1.33 O ATOM 1086 OE2 GLU A 73 0.179 4.069 10.497 1.00 0.69 O ATOM 0 H GLU A 73 -0.615 1.890 8.561 1.00 0.37 H new ATOM 0 HA GLU A 73 -3.357 2.356 8.732 1.00 0.42 H new ATOM 0 HB2 GLU A 73 -1.041 4.000 7.689 1.00 0.50 H new ATOM 0 HB3 GLU A 73 -2.684 4.595 7.559 1.00 0.50 H new ATOM 0 HG2 GLU A 73 -1.604 5.544 9.506 1.00 0.63 H new ATOM 0 HG3 GLU A 73 -2.935 4.517 10.000 1.00 0.63 H new ATOM 1093 N LEU A 74 -2.144 1.974 5.692 1.00 0.40 N ATOM 1094 CA LEU A 74 -2.495 1.795 4.280 1.00 0.43 C ATOM 1095 C LEU A 74 -3.416 0.563 4.122 1.00 0.41 C ATOM 1096 O LEU A 74 -4.441 0.631 3.447 1.00 0.42 O ATOM 1097 CB LEU A 74 -1.191 1.684 3.426 1.00 0.44 C ATOM 1098 CG LEU A 74 -1.276 1.882 1.882 1.00 0.50 C ATOM 1099 CD1 LEU A 74 -2.009 0.757 1.178 1.00 1.04 C ATOM 1100 CD2 LEU A 74 -1.916 3.226 1.545 1.00 1.10 C ATOM 0 H LEU A 74 -1.154 1.842 5.897 1.00 0.40 H new ATOM 0 HA LEU A 74 -3.050 2.660 3.915 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -0.482 2.416 3.812 1.00 0.44 H new ATOM 0 HB3 LEU A 74 -0.762 0.698 3.608 1.00 0.44 H new ATOM 0 HG LEU A 74 -0.250 1.868 1.513 1.00 0.50 H new ATOM 0 HD11 LEU A 74 -2.034 0.954 0.106 1.00 1.04 H new ATOM 0 HD12 LEU A 74 -1.492 -0.185 1.362 1.00 1.04 H new ATOM 0 HD13 LEU A 74 -3.028 0.692 1.559 1.00 1.04 H new ATOM 0 HD21 LEU A 74 -1.966 3.344 0.463 1.00 1.10 H new ATOM 0 HD22 LEU A 74 -2.923 3.264 1.961 1.00 1.10 H new ATOM 0 HD23 LEU A 74 -1.317 4.031 1.971 1.00 1.10 H new ATOM 1112 N LEU A 75 -3.066 -0.519 4.797 1.00 0.41 N ATOM 1113 CA LEU A 75 -3.838 -1.759 4.774 1.00 0.41 C ATOM 1114 C LEU A 75 -5.232 -1.518 5.351 1.00 0.39 C ATOM 1115 O LEU A 75 -6.254 -1.906 4.753 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.108 -2.835 5.606 1.00 0.46 C ATOM 1117 CG LEU A 75 -3.738 -4.228 5.659 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -3.732 -4.876 4.287 1.00 0.51 C ATOM 1119 CD2 LEU A 75 -3.006 -5.096 6.666 1.00 0.54 C ATOM 0 H LEU A 75 -2.232 -0.566 5.382 1.00 0.41 H new ATOM 0 HA LEU A 75 -3.936 -2.101 3.744 1.00 0.41 H new ATOM 0 HB2 LEU A 75 -2.097 -2.937 5.213 1.00 0.46 H new ATOM 0 HB3 LEU A 75 -3.017 -2.467 6.628 1.00 0.46 H new ATOM 0 HG LEU A 75 -4.776 -4.126 5.977 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -4.185 -5.865 4.350 1.00 0.51 H new ATOM 0 HD12 LEU A 75 -4.301 -4.260 3.591 1.00 0.51 H new ATOM 0 HD13 LEU A 75 -2.705 -4.969 3.933 1.00 0.51 H new ATOM 0 HD21 LEU A 75 -3.464 -6.085 6.695 1.00 0.54 H new ATOM 0 HD22 LEU A 75 -1.960 -5.189 6.374 1.00 0.54 H new ATOM 0 HD23 LEU A 75 -3.068 -4.639 7.654 1.00 0.54 H new ATOM 1131 N ASP A 76 -5.265 -0.827 6.480 1.00 0.44 N ATOM 1132 CA ASP A 76 -6.513 -0.528 7.187 1.00 0.48 C ATOM 1133 C ASP A 76 -7.328 0.534 6.432 1.00 0.40 C ATOM 1134 O ASP A 76 -8.537 0.638 6.598 1.00 0.44 O ATOM 1135 CB ASP A 76 -6.206 -0.076 8.632 1.00 0.66 C ATOM 1136 CG ASP A 76 -7.439 0.099 9.496 1.00 1.06 C ATOM 1137 OD1 ASP A 76 -8.103 -0.927 9.827 1.00 1.08 O ATOM 1138 OD2 ASP A 76 -7.750 1.229 9.894 1.00 1.89 O ATOM 0 H ASP A 76 -4.432 -0.456 6.936 1.00 0.44 H new ATOM 0 HA ASP A 76 -7.118 -1.434 7.232 1.00 0.48 H new ATOM 0 HB2 ASP A 76 -5.548 -0.809 9.099 1.00 0.66 H new ATOM 0 HB3 ASP A 76 -5.661 0.867 8.599 1.00 0.66 H new ATOM 1143 N LEU A 77 -6.653 1.283 5.576 1.00 0.37 N ATOM 1144 CA LEU A 77 -7.274 2.316 4.755 1.00 0.38 C ATOM 1145 C LEU A 77 -8.072 1.693 3.620 1.00 0.33 C ATOM 1146 O LEU A 77 -9.252 2.013 3.424 1.00 0.34 O ATOM 1147 CB LEU A 77 -6.206 3.240 4.157 1.00 0.46 C ATOM 1148 CG LEU A 77 -6.720 4.422 3.356 1.00 0.57 C ATOM 1149 CD1 LEU A 77 -7.420 5.385 4.269 1.00 1.37 C ATOM 1150 CD2 LEU A 77 -5.592 5.102 2.600 1.00 1.24 C ATOM 0 H LEU A 77 -5.648 1.192 5.428 1.00 0.37 H new ATOM 0 HA LEU A 77 -7.942 2.892 5.396 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -5.586 3.619 4.970 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -5.558 2.645 3.513 1.00 0.46 H new ATOM 0 HG LEU A 77 -7.433 4.061 2.615 1.00 0.57 H new ATOM 0 HD11 LEU A 77 -7.788 6.233 3.691 1.00 1.37 H new ATOM 0 HD12 LEU A 77 -8.259 4.884 4.752 1.00 1.37 H new ATOM 0 HD13 LEU A 77 -6.723 5.739 5.028 1.00 1.37 H new ATOM 0 HD21 LEU A 77 -5.989 5.945 2.035 1.00 1.24 H new ATOM 0 HD22 LEU A 77 -4.844 5.459 3.307 1.00 1.24 H new ATOM 0 HD23 LEU A 77 -5.132 4.390 1.914 1.00 1.24 H new ATOM 1162 N ILE A 78 -7.431 0.776 2.900 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.026 0.124 1.736 1.00 0.32 C ATOM 1164 C ILE A 78 -9.240 -0.639 2.205 1.00 0.29 C ATOM 1165 O ILE A 78 -10.381 -0.378 1.802 1.00 0.33 O ATOM 1166 CB ILE A 78 -7.037 -0.907 1.114 1.00 0.39 C ATOM 1167 CG1 ILE A 78 -5.697 -0.268 0.715 1.00 0.53 C ATOM 1168 CG2 ILE A 78 -7.677 -1.607 -0.078 1.00 0.44 C ATOM 1169 CD1 ILE A 78 -5.792 0.801 -0.353 1.00 0.63 C ATOM 0 H ILE A 78 -6.483 0.463 3.107 1.00 0.31 H new ATOM 0 HA ILE A 78 -8.275 0.881 0.992 1.00 0.32 H new ATOM 0 HB ILE A 78 -6.818 -1.647 1.884 1.00 0.39 H new ATOM 0 HG12 ILE A 78 -5.240 0.167 1.604 1.00 0.53 H new ATOM 0 HG13 ILE A 78 -5.027 -1.053 0.364 1.00 0.53 H new ATOM 0 HG21 ILE A 78 -6.973 -2.324 -0.500 1.00 0.44 H new ATOM 0 HG22 ILE A 78 -8.576 -2.130 0.247 1.00 0.44 H new ATOM 0 HG23 ILE A 78 -7.941 -0.868 -0.835 1.00 0.44 H new ATOM 0 HD11 ILE A 78 -4.797 1.191 -0.567 1.00 0.63 H new ATOM 0 HD12 ILE A 78 -6.216 0.372 -1.261 1.00 0.63 H new ATOM 0 HD13 ILE A 78 -6.432 1.611 -0.002 1.00 0.63 H new ATOM 1181 N ASN A 79 -8.973 -1.543 3.106 1.00 0.30 N ATOM 1182 CA ASN A 79 -9.960 -2.432 3.660 1.00 0.33 C ATOM 1183 C ASN A 79 -10.965 -1.681 4.532 1.00 0.37 C ATOM 1184 O ASN A 79 -12.046 -2.189 4.848 1.00 0.46 O ATOM 1185 CB ASN A 79 -9.257 -3.563 4.411 1.00 0.42 C ATOM 1186 CG ASN A 79 -8.421 -4.432 3.470 1.00 0.53 C ATOM 1187 OD1 ASN A 79 -8.761 -4.599 2.307 1.00 1.21 O ATOM 1188 ND2 ASN A 79 -7.326 -4.966 3.944 1.00 0.55 N ATOM 0 H ASN A 79 -8.038 -1.687 3.487 1.00 0.30 H new ATOM 0 HA ASN A 79 -10.543 -2.873 2.851 1.00 0.33 H new ATOM 0 HB2 ASN A 79 -8.615 -3.142 5.185 1.00 0.42 H new ATOM 0 HB3 ASN A 79 -9.999 -4.182 4.915 1.00 0.42 H new ATOM 0 HD21 ASN A 79 -6.734 -5.536 3.340 1.00 0.55 H new ATOM 0 HD22 ASN A 79 -7.064 -4.812 4.918 1.00 0.55 H new ATOM 1195 N GLY A 80 -10.608 -0.470 4.905 1.00 0.37 N ATOM 1196 CA GLY A 80 -11.491 0.373 5.649 1.00 0.46 C ATOM 1197 C GLY A 80 -12.527 0.981 4.755 1.00 0.47 C ATOM 1198 O GLY A 80 -13.717 0.951 5.070 1.00 0.57 O ATOM 0 H GLY A 80 -9.700 -0.053 4.698 1.00 0.37 H new ATOM 0 HA2 GLY A 80 -11.977 -0.206 6.435 1.00 0.46 H new ATOM 0 HA3 GLY A 80 -10.920 1.161 6.140 1.00 0.46 H new ATOM 1202 N ALA A 81 -12.089 1.503 3.614 1.00 0.43 N ATOM 1203 CA ALA A 81 -12.994 2.100 2.644 1.00 0.49 C ATOM 1204 C ALA A 81 -13.921 1.030 2.085 1.00 0.54 C ATOM 1205 O ALA A 81 -15.137 1.236 1.963 1.00 0.68 O ATOM 1206 CB ALA A 81 -12.207 2.769 1.528 1.00 0.49 C ATOM 0 H ALA A 81 -11.107 1.523 3.339 1.00 0.43 H new ATOM 0 HA ALA A 81 -13.596 2.864 3.137 1.00 0.49 H new ATOM 0 HB1 ALA A 81 -12.898 3.211 0.810 1.00 0.49 H new ATOM 0 HB2 ALA A 81 -11.572 3.549 1.948 1.00 0.49 H new ATOM 0 HB3 ALA A 81 -11.587 2.027 1.025 1.00 0.49 H new ATOM 1212 N LEU A 82 -13.340 -0.134 1.805 1.00 0.48 N ATOM 1213 CA LEU A 82 -14.075 -1.290 1.298 1.00 0.57 C ATOM 1214 C LEU A 82 -15.257 -1.660 2.186 1.00 0.70 C ATOM 1215 O LEU A 82 -16.376 -1.814 1.705 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.149 -2.497 1.156 1.00 0.54 C ATOM 1217 CG LEU A 82 -12.130 -2.426 0.029 1.00 0.55 C ATOM 1218 CD1 LEU A 82 -11.176 -3.602 0.109 1.00 0.61 C ATOM 1219 CD2 LEU A 82 -12.843 -2.423 -1.313 1.00 0.63 C ATOM 0 H LEU A 82 -12.341 -0.303 1.924 1.00 0.48 H new ATOM 0 HA LEU A 82 -14.465 -1.008 0.320 1.00 0.57 H new ATOM 0 HB2 LEU A 82 -12.613 -2.632 2.096 1.00 0.54 H new ATOM 0 HB3 LEU A 82 -13.763 -3.386 1.009 1.00 0.54 H new ATOM 0 HG LEU A 82 -11.557 -1.504 0.129 1.00 0.55 H new ATOM 0 HD11 LEU A 82 -10.452 -3.539 -0.703 1.00 0.61 H new ATOM 0 HD12 LEU A 82 -10.652 -3.581 1.065 1.00 0.61 H new ATOM 0 HD13 LEU A 82 -11.737 -4.532 0.023 1.00 0.61 H new ATOM 0 HD21 LEU A 82 -12.107 -2.372 -2.116 1.00 0.63 H new ATOM 0 HD22 LEU A 82 -13.429 -3.336 -1.416 1.00 0.63 H new ATOM 0 HD23 LEU A 82 -13.504 -1.559 -1.372 1.00 0.63 H new ATOM 1231 N ALA A 83 -15.015 -1.756 3.481 1.00 0.69 N ATOM 1232 CA ALA A 83 -16.053 -2.165 4.409 1.00 0.87 C ATOM 1233 C ALA A 83 -16.926 -1.004 4.868 1.00 1.01 C ATOM 1234 O ALA A 83 -17.858 -1.192 5.649 1.00 1.25 O ATOM 1235 CB ALA A 83 -15.473 -2.907 5.589 1.00 0.90 C ATOM 0 H ALA A 83 -14.112 -1.557 3.912 1.00 0.69 H new ATOM 0 HA ALA A 83 -16.703 -2.847 3.861 1.00 0.87 H new ATOM 0 HB1 ALA A 83 -16.276 -3.200 6.265 1.00 0.90 H new ATOM 0 HB2 ALA A 83 -14.951 -3.798 5.238 1.00 0.90 H new ATOM 0 HB3 ALA A 83 -14.772 -2.260 6.117 1.00 0.90 H new ATOM 1241 N GLU A 84 -16.629 0.184 4.401 1.00 0.95 N ATOM 1242 CA GLU A 84 -17.466 1.325 4.701 1.00 1.11 C ATOM 1243 C GLU A 84 -18.503 1.456 3.600 1.00 1.18 C ATOM 1244 O GLU A 84 -19.670 1.795 3.844 1.00 1.36 O ATOM 1245 CB GLU A 84 -16.641 2.605 4.838 1.00 1.15 C ATOM 1246 CG GLU A 84 -17.463 3.819 5.236 1.00 1.57 C ATOM 1247 CD GLU A 84 -16.621 5.036 5.457 1.00 1.76 C ATOM 1248 OE1 GLU A 84 -16.100 5.226 6.566 1.00 2.49 O ATOM 1249 OE2 GLU A 84 -16.454 5.831 4.510 1.00 1.86 O ATOM 0 H GLU A 84 -15.819 0.388 3.815 1.00 0.95 H new ATOM 0 HA GLU A 84 -17.961 1.172 5.660 1.00 1.11 H new ATOM 0 HB2 GLU A 84 -15.860 2.446 5.581 1.00 1.15 H new ATOM 0 HB3 GLU A 84 -16.142 2.809 3.890 1.00 1.15 H new ATOM 0 HG2 GLU A 84 -18.198 4.026 4.458 1.00 1.57 H new ATOM 0 HG3 GLU A 84 -18.018 3.595 6.147 1.00 1.57 H new ATOM 1256 N ALA A 85 -18.084 1.147 2.380 1.00 1.15 N ATOM 1257 CA ALA A 85 -18.981 1.147 1.237 1.00 1.34 C ATOM 1258 C ALA A 85 -19.796 -0.141 1.220 1.00 1.47 C ATOM 1259 O ALA A 85 -20.790 -0.250 0.495 1.00 1.86 O ATOM 1260 CB ALA A 85 -18.191 1.308 -0.057 1.00 1.37 C ATOM 0 H ALA A 85 -17.122 0.892 2.158 1.00 1.15 H new ATOM 0 HA ALA A 85 -19.666 1.990 1.321 1.00 1.34 H new ATOM 0 HB1 ALA A 85 -18.877 1.306 -0.904 1.00 1.37 H new ATOM 0 HB2 ALA A 85 -17.644 2.251 -0.035 1.00 1.37 H new ATOM 0 HB3 ALA A 85 -17.487 0.482 -0.158 1.00 1.37 H new ATOM 1266 N ALA A 86 -19.358 -1.098 2.027 1.00 1.53 N ATOM 1267 CA ALA A 86 -20.006 -2.383 2.182 1.00 1.70 C ATOM 1268 C ALA A 86 -21.336 -2.227 2.899 1.00 2.36 C ATOM 1269 O ALA A 86 -21.338 -2.044 4.125 1.00 2.86 O ATOM 1270 CB ALA A 86 -19.109 -3.345 2.948 1.00 2.39 C ATOM 1271 OXT ALA A 86 -22.394 -2.302 2.249 1.00 3.03 O ATOM 0 H ALA A 86 -18.523 -0.995 2.603 1.00 1.53 H new ATOM 0 HA ALA A 86 -20.191 -2.793 1.189 1.00 1.70 H new ATOM 0 HB1 ALA A 86 -19.613 -4.306 3.055 1.00 2.39 H new ATOM 0 HB2 ALA A 86 -18.175 -3.484 2.403 1.00 2.39 H new ATOM 0 HB3 ALA A 86 -18.896 -2.936 3.935 1.00 2.39 H new TER 1277 ALA A 86 HETATM 1278 P24 SXR A 101 7.011 11.798 -3.966 1.00 1.19 P HETATM 1279 O26 SXR A 101 7.721 10.549 -4.586 1.00 1.72 O HETATM 1280 O23 SXR A 101 7.942 12.960 -3.586 1.00 1.83 O HETATM 1281 O27 SXR A 101 5.954 12.384 -4.966 1.00 1.31 O HETATM 1282 C28 SXR A 101 4.960 11.551 -5.721 1.00 1.24 C HETATM 1283 C29 SXR A 101 4.003 12.483 -6.471 1.00 1.82 C HETATM 1284 C30 SXR A 101 3.088 13.097 -5.426 1.00 2.42 C HETATM 1285 C31 SXR A 101 4.810 13.582 -7.152 1.00 1.85 C HETATM 1286 C32 SXR A 101 3.153 11.685 -7.562 1.00 2.74 C HETATM 1287 O33 SXR A 101 4.008 11.203 -8.601 1.00 3.00 O HETATM 1288 C34 SXR A 101 2.139 12.616 -8.235 1.00 3.44 C HETATM 1289 O35 SXR A 101 0.999 12.782 -7.786 1.00 3.88 O HETATM 1290 N36 SXR A 101 2.579 13.242 -9.307 1.00 3.90 N HETATM 1291 C37 SXR A 101 1.793 14.202 -10.086 1.00 4.60 C HETATM 1292 C38 SXR A 101 2.373 15.621 -9.969 1.00 4.73 C HETATM 1293 C39 SXR A 101 2.437 16.149 -8.520 1.00 4.02 C HETATM 1294 O40 SXR A 101 3.298 16.968 -8.170 1.00 4.42 O HETATM 1295 N41 SXR A 101 1.548 15.622 -7.684 1.00 3.33 N HETATM 1296 C42 SXR A 101 1.444 15.926 -6.264 1.00 2.88 C HETATM 1297 C43 SXR A 101 -0.005 15.951 -5.798 1.00 2.85 C HETATM 1298 S1 SXR A 101 -0.109 16.406 -4.134 1.00 3.15 S HETATM 1299 C11 SXR A 101 0.040 8.196 -1.008 1.00 2.09 C HETATM 1300 C10 SXR A 101 -0.591 6.947 -0.947 1.00 2.05 C HETATM 1301 C9 SXR A 101 -1.447 6.548 -1.975 1.00 1.91 C HETATM 1302 C8 SXR A 101 -1.677 7.392 -3.064 1.00 2.19 C HETATM 1303 C7 SXR A 101 -1.049 8.640 -3.122 1.00 2.18 C HETATM 1304 C6 SXR A 101 -0.180 9.059 -2.093 1.00 1.95 C HETATM 1305 C5 SXR A 101 0.500 10.397 -2.149 1.00 2.57 C HETATM 1306 C4 SXR A 101 -0.395 11.524 -2.638 1.00 2.29 C HETATM 1307 C3 SXR A 101 -0.058 12.890 -2.056 1.00 2.88 C HETATM 1308 O3 SXR A 101 0.616 12.983 -1.019 1.00 3.69 O HETATM 1309 C2 SXR A 101 -0.554 14.142 -2.750 1.00 2.88 C HETATM 1310 C1 SXR A 101 0.535 14.997 -3.359 1.00 2.84 C