USER MOD reduce.3.24.130724 H: found=0, std=0, add=1155, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1158 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 31:sc= 0.852 USER MOD Single : A 18 LYS NZ :NH3+ -110:sc= -0.902 (180deg=-4.58!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 136:sc= -3.07! USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.39) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -2.26! USER MOD Single : A 55 GLN : amide:sc= -0.996 K(o=-1,f=-3.4!) USER MOD Single : A 56 SER OG : rot 170:sc= -0.691 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 75 SER OG : rot 180:sc= 0.00151 USER MOD Single : A 80 HIS : no HE2:sc= -3.9! C(o=-3.9!,f=-7.5!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : B 109 THR OG1 : rot 31:sc= 0.912 USER MOD Single : B 118 LYS NZ :NH3+ -111:sc= -0.964 (180deg=-4.75!) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 138 THR OG1 : rot 136:sc= -3.03! USER MOD Single : B 145 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 148 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.4) USER MOD Single : B 149 TYR OH : rot 180:sc= 0 USER MOD Single : B 152 SER OG : rot 180:sc= -2.23! USER MOD Single : B 155 GLN : amide:sc= -0.969 K(o=-0.97,f=-3.4!) USER MOD Single : B 156 SER OG : rot -170:sc= -2.94! USER MOD Single : B 158 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 163 SER OG : rot 180:sc= 0.0191 USER MOD Single : B 175 SER OG : rot 180:sc=0.000639 USER MOD Single : B 180 HIS : no HE2:sc= -4.93! C(o=-4.9!,f=-8.5!) USER MOD Single : B 192 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.001 36.657 4.938 1.00 9.95 N ATOM 2 CA ALA A 1 13.811 35.495 4.035 1.00 9.34 C ATOM 3 C ALA A 1 14.876 35.444 2.929 1.00 8.30 C ATOM 4 O ALA A 1 14.732 36.084 1.888 1.00 8.16 O ATOM 5 CB ALA A 1 12.418 35.532 3.419 1.00 9.73 C ATOM 0 H1 ALA A 1 13.261 36.653 5.669 1.00 9.95 H new ATOM 0 H2 ALA A 1 14.935 36.596 5.390 1.00 9.95 H new ATOM 0 H3 ALA A 1 13.940 37.538 4.388 1.00 9.95 H new ATOM 0 HA ALA A 1 13.919 34.592 4.636 1.00 9.34 H new ATOM 0 HB1 ALA A 1 12.290 34.675 2.758 1.00 9.73 H new ATOM 0 HB2 ALA A 1 11.669 35.496 4.210 1.00 9.73 H new ATOM 0 HB3 ALA A 1 12.297 36.452 2.847 1.00 9.73 H new ATOM 13 N VAL A 2 15.909 34.630 3.153 1.00 7.83 N ATOM 14 CA VAL A 2 16.928 34.464 2.146 1.00 7.06 C ATOM 15 C VAL A 2 16.836 33.110 1.384 1.00 5.87 C ATOM 16 O VAL A 2 17.348 32.096 1.851 1.00 5.74 O ATOM 17 CB VAL A 2 18.325 34.679 2.741 1.00 7.48 C ATOM 18 CG1 VAL A 2 18.624 33.638 3.800 1.00 8.02 C ATOM 19 CG2 VAL A 2 19.383 34.694 1.650 1.00 7.83 C ATOM 0 H VAL A 2 16.051 34.091 4.007 1.00 7.83 H new ATOM 0 HA VAL A 2 16.746 35.235 1.397 1.00 7.06 H new ATOM 0 HB VAL A 2 18.346 35.655 3.226 1.00 7.48 H new ATOM 0 HG11 VAL A 2 19.620 33.810 4.208 1.00 8.02 H new ATOM 0 HG12 VAL A 2 17.887 33.710 4.600 1.00 8.02 H new ATOM 0 HG13 VAL A 2 18.581 32.644 3.355 1.00 8.02 H new ATOM 0 HG21 VAL A 2 20.365 34.848 2.097 1.00 7.83 H new ATOM 0 HG22 VAL A 2 19.371 33.742 1.119 1.00 7.83 H new ATOM 0 HG23 VAL A 2 19.172 35.503 0.950 1.00 7.83 H new ATOM 29 N LEU A 3 16.221 33.126 0.214 1.00 5.32 N ATOM 30 CA LEU A 3 16.120 31.904 -0.605 1.00 4.36 C ATOM 31 C LEU A 3 17.336 31.742 -1.491 1.00 4.03 C ATOM 32 O LEU A 3 17.323 32.133 -2.658 1.00 4.40 O ATOM 33 CB LEU A 3 14.846 31.856 -1.463 1.00 4.40 C ATOM 34 CG LEU A 3 13.889 30.717 -1.099 1.00 5.00 C ATOM 35 CD1 LEU A 3 14.580 29.365 -1.230 1.00 5.26 C ATOM 36 CD2 LEU A 3 13.360 30.906 0.314 1.00 5.86 C ATOM 0 H LEU A 3 15.786 33.952 -0.196 1.00 5.32 H new ATOM 0 HA LEU A 3 16.068 31.075 0.101 1.00 4.36 H new ATOM 0 HB2 LEU A 3 14.319 32.805 -1.364 1.00 4.40 H new ATOM 0 HB3 LEU A 3 15.130 31.757 -2.511 1.00 4.40 H new ATOM 0 HG LEU A 3 13.050 30.739 -1.795 1.00 5.00 H new ATOM 0 HD11 LEU A 3 13.880 28.572 -0.966 1.00 5.26 H new ATOM 0 HD12 LEU A 3 14.916 29.226 -2.258 1.00 5.26 H new ATOM 0 HD13 LEU A 3 15.439 29.329 -0.560 1.00 5.26 H new ATOM 0 HD21 LEU A 3 12.681 30.090 0.560 1.00 5.86 H new ATOM 0 HD22 LEU A 3 14.193 30.910 1.017 1.00 5.86 H new ATOM 0 HD23 LEU A 3 12.826 31.854 0.379 1.00 5.86 H new ATOM 48 N ASP A 4 18.380 31.094 -0.946 1.00 3.91 N ATOM 49 CA ASP A 4 19.545 30.816 -1.726 1.00 4.19 C ATOM 50 C ASP A 4 19.220 29.631 -2.628 1.00 3.97 C ATOM 51 O ASP A 4 19.204 28.484 -2.178 1.00 4.06 O ATOM 52 CB ASP A 4 20.752 30.494 -0.839 1.00 4.92 C ATOM 53 CG ASP A 4 21.715 31.659 -0.719 1.00 5.74 C ATOM 54 OD1 ASP A 4 21.388 32.630 -0.004 1.00 6.22 O ATOM 55 OD2 ASP A 4 22.799 31.600 -1.338 1.00 6.19 O ATOM 0 H ASP A 4 18.419 30.767 0.019 1.00 3.91 H new ATOM 0 HA ASP A 4 19.811 31.693 -2.316 1.00 4.19 H new ATOM 0 HB2 ASP A 4 20.403 30.212 0.154 1.00 4.92 H new ATOM 0 HB3 ASP A 4 21.279 29.632 -1.248 1.00 4.92 H new ATOM 60 N LEU A 5 18.995 29.910 -3.888 1.00 4.28 N ATOM 61 CA LEU A 5 18.718 28.893 -4.836 1.00 4.71 C ATOM 62 C LEU A 5 19.140 29.432 -6.165 1.00 5.46 C ATOM 63 O LEU A 5 20.323 29.478 -6.503 1.00 6.27 O ATOM 64 CB LEU A 5 17.239 28.466 -4.706 1.00 5.36 C ATOM 65 CG LEU A 5 16.770 27.267 -5.566 1.00 6.10 C ATOM 66 CD1 LEU A 5 16.887 27.552 -7.055 1.00 5.79 C ATOM 67 CD2 LEU A 5 17.531 25.992 -5.208 1.00 7.09 C ATOM 0 H LEU A 5 19.002 30.855 -4.273 1.00 4.28 H new ATOM 0 HA LEU A 5 19.272 27.967 -4.679 1.00 4.71 H new ATOM 0 HB2 LEU A 5 17.047 28.227 -3.660 1.00 5.36 H new ATOM 0 HB3 LEU A 5 16.616 29.325 -4.956 1.00 5.36 H new ATOM 0 HG LEU A 5 15.715 27.114 -5.338 1.00 6.10 H new ATOM 0 HD11 LEU A 5 16.547 26.684 -7.619 1.00 5.79 H new ATOM 0 HD12 LEU A 5 16.271 28.414 -7.310 1.00 5.79 H new ATOM 0 HD13 LEU A 5 17.927 27.763 -7.305 1.00 5.79 H new ATOM 0 HD21 LEU A 5 17.177 25.170 -5.830 1.00 7.09 H new ATOM 0 HD22 LEU A 5 18.597 26.144 -5.379 1.00 7.09 H new ATOM 0 HD23 LEU A 5 17.363 25.751 -4.158 1.00 7.09 H new ATOM 79 N ASP A 6 18.175 29.872 -6.867 1.00 5.46 N ATOM 80 CA ASP A 6 18.310 30.487 -8.160 1.00 6.41 C ATOM 81 C ASP A 6 16.937 30.553 -8.763 1.00 6.28 C ATOM 82 O ASP A 6 16.769 30.295 -9.957 1.00 6.48 O ATOM 83 CB ASP A 6 19.265 29.694 -9.049 1.00 7.20 C ATOM 84 CG ASP A 6 19.953 30.561 -10.089 1.00 8.21 C ATOM 85 OD1 ASP A 6 21.004 31.155 -9.769 1.00 8.78 O ATOM 86 OD2 ASP A 6 19.437 30.647 -11.224 1.00 8.64 O ATOM 0 H ASP A 6 17.206 29.819 -6.554 1.00 5.46 H new ATOM 0 HA ASP A 6 18.734 31.487 -8.066 1.00 6.41 H new ATOM 0 HB2 ASP A 6 20.019 29.213 -8.427 1.00 7.20 H new ATOM 0 HB3 ASP A 6 18.712 28.900 -9.552 1.00 7.20 H new ATOM 91 N VAL A 7 15.920 30.877 -7.958 1.00 6.22 N ATOM 92 CA VAL A 7 14.560 30.951 -8.363 1.00 6.28 C ATOM 93 C VAL A 7 13.989 32.017 -7.426 1.00 5.52 C ATOM 94 O VAL A 7 14.738 32.625 -6.639 1.00 5.69 O ATOM 95 CB VAL A 7 13.785 29.607 -8.200 1.00 7.22 C ATOM 96 CG1 VAL A 7 13.679 29.171 -6.736 1.00 7.36 C ATOM 97 CG2 VAL A 7 12.401 29.718 -8.821 1.00 7.51 C ATOM 0 H VAL A 7 16.054 31.099 -6.972 1.00 6.22 H new ATOM 0 HA VAL A 7 14.468 31.181 -9.425 1.00 6.28 H new ATOM 0 HB VAL A 7 14.355 28.839 -8.724 1.00 7.22 H new ATOM 0 HG11 VAL A 7 13.131 28.231 -6.675 1.00 7.36 H new ATOM 0 HG12 VAL A 7 14.679 29.036 -6.323 1.00 7.36 H new ATOM 0 HG13 VAL A 7 13.151 29.936 -6.166 1.00 7.36 H new ATOM 0 HG21 VAL A 7 11.871 28.773 -8.700 1.00 7.51 H new ATOM 0 HG22 VAL A 7 11.843 30.513 -8.326 1.00 7.51 H new ATOM 0 HG23 VAL A 7 12.496 29.948 -9.882 1.00 7.51 H new ATOM 107 N ARG A 8 12.708 32.248 -7.470 1.00 5.09 N ATOM 108 CA ARG A 8 12.118 33.207 -6.593 1.00 4.80 C ATOM 109 C ARG A 8 12.016 32.545 -5.266 1.00 4.48 C ATOM 110 O ARG A 8 11.669 31.364 -5.196 1.00 4.96 O ATOM 111 CB ARG A 8 10.759 33.748 -7.075 1.00 5.24 C ATOM 112 CG ARG A 8 10.401 33.423 -8.522 1.00 6.15 C ATOM 113 CD ARG A 8 8.976 32.903 -8.632 1.00 6.93 C ATOM 114 NE ARG A 8 8.715 32.273 -9.925 1.00 7.61 N ATOM 115 CZ ARG A 8 7.537 32.309 -10.550 1.00 8.32 C ATOM 116 NH1 ARG A 8 6.504 32.950 -10.012 1.00 8.49 N ATOM 117 NH2 ARG A 8 7.391 31.701 -11.720 1.00 9.08 N ATOM 0 H ARG A 8 12.057 31.784 -8.104 1.00 5.09 H new ATOM 0 HA ARG A 8 12.744 34.099 -6.553 1.00 4.80 H new ATOM 0 HB2 ARG A 8 9.978 33.350 -6.427 1.00 5.24 H new ATOM 0 HB3 ARG A 8 10.754 34.831 -6.952 1.00 5.24 H new ATOM 0 HG2 ARG A 8 10.514 34.316 -9.137 1.00 6.15 H new ATOM 0 HG3 ARG A 8 11.094 32.678 -8.912 1.00 6.15 H new ATOM 0 HD2 ARG A 8 8.792 32.182 -7.835 1.00 6.93 H new ATOM 0 HD3 ARG A 8 8.278 33.727 -8.484 1.00 6.93 H new ATOM 0 HE ARG A 8 9.481 31.775 -10.378 1.00 7.61 H new ATOM 0 HH11 ARG A 8 6.608 33.420 -9.113 1.00 8.49 H new ATOM 0 HH12 ARG A 8 5.608 32.971 -10.498 1.00 8.49 H new ATOM 0 HH21 ARG A 8 8.179 31.207 -12.140 1.00 9.08 H new ATOM 0 HH22 ARG A 8 6.491 31.727 -12.200 1.00 9.08 H new ATOM 131 N THR A 9 12.380 33.257 -4.224 1.00 4.05 N ATOM 132 CA THR A 9 12.422 32.649 -2.909 1.00 4.08 C ATOM 133 C THR A 9 11.155 31.859 -2.580 1.00 3.18 C ATOM 134 O THR A 9 10.083 32.389 -2.297 1.00 3.47 O ATOM 135 CB THR A 9 12.606 33.761 -1.868 1.00 4.95 C ATOM 136 OG1 THR A 9 11.488 34.630 -1.861 1.00 5.55 O ATOM 137 CG2 THR A 9 13.840 34.608 -2.104 1.00 5.66 C ATOM 0 H THR A 9 12.647 34.241 -4.256 1.00 4.05 H new ATOM 0 HA THR A 9 13.252 31.943 -2.894 1.00 4.08 H new ATOM 0 HB THR A 9 12.715 33.246 -0.914 1.00 4.95 H new ATOM 0 HG1 THR A 9 10.682 34.129 -2.106 1.00 5.55 H new ATOM 0 HG21 THR A 9 13.908 35.374 -1.332 1.00 5.66 H new ATOM 0 HG22 THR A 9 14.727 33.976 -2.068 1.00 5.66 H new ATOM 0 HG23 THR A 9 13.773 35.084 -3.082 1.00 5.66 H new ATOM 145 N CYS A 10 11.371 30.547 -2.651 1.00 2.54 N ATOM 146 CA CYS A 10 10.362 29.505 -2.404 1.00 1.93 C ATOM 147 C CYS A 10 9.282 29.877 -1.378 1.00 1.72 C ATOM 148 O CYS A 10 9.557 29.982 -0.182 1.00 1.97 O ATOM 149 CB CYS A 10 11.051 28.224 -1.940 1.00 2.28 C ATOM 150 SG CYS A 10 10.717 26.790 -3.009 1.00 2.68 S ATOM 0 H CYS A 10 12.284 30.161 -2.890 1.00 2.54 H new ATOM 0 HA CYS A 10 9.848 29.373 -3.356 1.00 1.93 H new ATOM 0 HB2 CYS A 10 12.127 28.394 -1.900 1.00 2.28 H new ATOM 0 HB3 CYS A 10 10.726 27.994 -0.925 1.00 2.28 H new ATOM 155 N LEU A 11 8.042 30.025 -1.869 1.00 1.49 N ATOM 156 CA LEU A 11 6.853 30.331 -1.041 1.00 1.39 C ATOM 157 C LEU A 11 6.900 29.682 0.359 1.00 1.20 C ATOM 158 O LEU A 11 7.196 28.492 0.479 1.00 1.16 O ATOM 159 CB LEU A 11 5.593 29.856 -1.771 1.00 1.55 C ATOM 160 CG LEU A 11 4.708 30.962 -2.345 1.00 1.91 C ATOM 161 CD1 LEU A 11 4.052 30.500 -3.638 1.00 2.48 C ATOM 162 CD2 LEU A 11 3.654 31.377 -1.330 1.00 2.29 C ATOM 0 H LEU A 11 7.829 29.936 -2.862 1.00 1.49 H new ATOM 0 HA LEU A 11 6.841 31.411 -0.892 1.00 1.39 H new ATOM 0 HB2 LEU A 11 5.893 29.196 -2.585 1.00 1.55 H new ATOM 0 HB3 LEU A 11 4.997 29.260 -1.080 1.00 1.55 H new ATOM 0 HG LEU A 11 5.333 31.827 -2.567 1.00 1.91 H new ATOM 0 HD11 LEU A 11 3.425 31.299 -4.034 1.00 2.48 H new ATOM 0 HD12 LEU A 11 4.822 30.248 -4.367 1.00 2.48 H new ATOM 0 HD13 LEU A 11 3.438 29.621 -3.441 1.00 2.48 H new ATOM 0 HD21 LEU A 11 3.032 32.165 -1.753 1.00 2.29 H new ATOM 0 HD22 LEU A 11 3.031 30.518 -1.080 1.00 2.29 H new ATOM 0 HD23 LEU A 11 4.143 31.746 -0.428 1.00 2.29 H new ATOM 174 N PRO A 12 6.601 30.445 1.439 1.00 1.19 N ATOM 175 CA PRO A 12 6.611 29.920 2.808 1.00 1.11 C ATOM 176 C PRO A 12 5.268 29.306 3.218 1.00 1.01 C ATOM 177 O PRO A 12 4.216 29.889 2.958 1.00 1.05 O ATOM 178 CB PRO A 12 6.923 31.161 3.629 1.00 1.29 C ATOM 179 CG PRO A 12 6.272 32.279 2.882 1.00 1.49 C ATOM 180 CD PRO A 12 6.240 31.877 1.423 1.00 1.39 C ATOM 0 HA PRO A 12 7.324 29.106 2.941 1.00 1.11 H new ATOM 0 HB2 PRO A 12 6.527 31.077 4.641 1.00 1.29 H new ATOM 0 HB3 PRO A 12 7.998 31.317 3.719 1.00 1.29 H new ATOM 0 HG2 PRO A 12 5.263 32.456 3.255 1.00 1.49 H new ATOM 0 HG3 PRO A 12 6.829 33.207 3.014 1.00 1.49 H new ATOM 0 HD2 PRO A 12 5.254 32.035 0.987 1.00 1.39 H new ATOM 0 HD3 PRO A 12 6.947 32.460 0.833 1.00 1.39 H new ATOM 188 N CYS A 13 5.298 28.137 3.880 1.00 0.93 N ATOM 189 CA CYS A 13 4.033 27.486 4.289 1.00 0.89 C ATOM 190 C CYS A 13 4.136 26.840 5.688 1.00 0.90 C ATOM 191 O CYS A 13 5.046 27.172 6.448 1.00 1.00 O ATOM 192 CB CYS A 13 3.577 26.524 3.138 1.00 0.82 C ATOM 193 SG CYS A 13 3.471 24.714 3.446 1.00 0.86 S ATOM 0 H CYS A 13 6.148 27.635 4.138 1.00 0.93 H new ATOM 0 HA CYS A 13 3.244 28.227 4.420 1.00 0.89 H new ATOM 0 HB2 CYS A 13 2.592 26.856 2.808 1.00 0.82 H new ATOM 0 HB3 CYS A 13 4.260 26.672 2.301 1.00 0.82 H new ATOM 198 N GLY A 14 3.214 25.933 6.036 1.00 0.91 N ATOM 199 CA GLY A 14 3.231 25.298 7.350 1.00 0.98 C ATOM 200 C GLY A 14 2.593 26.174 8.407 1.00 1.10 C ATOM 201 O GLY A 14 1.817 27.066 8.063 1.00 1.15 O ATOM 0 H GLY A 14 2.454 25.628 5.428 1.00 0.91 H new ATOM 0 HA2 GLY A 14 2.703 24.346 7.300 1.00 0.98 H new ATOM 0 HA3 GLY A 14 4.260 25.077 7.634 1.00 0.98 H new ATOM 205 N PRO A 15 2.922 26.010 9.707 1.00 1.19 N ATOM 206 CA PRO A 15 2.384 26.878 10.782 1.00 1.33 C ATOM 207 C PRO A 15 2.885 28.266 10.467 1.00 1.40 C ATOM 208 O PRO A 15 4.018 28.608 10.767 1.00 1.57 O ATOM 209 CB PRO A 15 3.047 26.295 12.022 1.00 1.46 C ATOM 210 CG PRO A 15 4.327 25.957 11.421 1.00 1.39 C ATOM 211 CD PRO A 15 3.925 25.099 10.264 1.00 1.21 C ATOM 0 HA PRO A 15 1.301 26.924 10.896 1.00 1.33 H new ATOM 0 HB2 PRO A 15 3.135 27.014 12.836 1.00 1.46 H new ATOM 0 HB3 PRO A 15 2.520 25.427 12.419 1.00 1.46 H new ATOM 0 HG2 PRO A 15 4.871 26.845 11.098 1.00 1.39 H new ATOM 0 HG3 PRO A 15 4.974 25.423 12.117 1.00 1.39 H new ATOM 0 HD2 PRO A 15 4.746 24.892 9.577 1.00 1.21 H new ATOM 0 HD3 PRO A 15 3.511 24.137 10.566 1.00 1.21 H new ATOM 219 N GLY A 16 2.022 29.090 10.046 1.00 1.34 N ATOM 220 CA GLY A 16 2.315 30.443 9.783 1.00 1.47 C ATOM 221 C GLY A 16 3.040 30.629 8.512 1.00 1.43 C ATOM 222 O GLY A 16 3.093 31.768 8.022 1.00 1.68 O ATOM 0 H GLY A 16 1.050 28.838 9.865 1.00 1.34 H new ATOM 0 HA2 GLY A 16 1.386 31.013 9.754 1.00 1.47 H new ATOM 0 HA3 GLY A 16 2.912 30.847 10.600 1.00 1.47 H new ATOM 226 N GLY A 17 3.590 29.557 7.915 1.00 1.28 N ATOM 227 CA GLY A 17 4.243 29.772 6.694 1.00 1.25 C ATOM 228 C GLY A 17 5.587 30.430 6.885 1.00 1.24 C ATOM 229 O GLY A 17 5.985 31.390 6.224 1.00 1.36 O ATOM 0 H GLY A 17 3.579 28.599 8.264 1.00 1.28 H new ATOM 0 HA2 GLY A 17 4.374 28.820 6.180 1.00 1.25 H new ATOM 0 HA3 GLY A 17 3.620 30.397 6.054 1.00 1.25 H new ATOM 233 N LYS A 18 6.297 29.780 7.825 1.00 1.18 N ATOM 234 CA LYS A 18 7.654 30.105 8.234 1.00 1.23 C ATOM 235 C LYS A 18 8.716 29.280 7.504 1.00 1.13 C ATOM 236 O LYS A 18 9.888 29.661 7.531 1.00 1.22 O ATOM 237 CB LYS A 18 7.851 29.877 9.747 1.00 1.28 C ATOM 238 CG LYS A 18 6.577 29.579 10.526 1.00 1.34 C ATOM 239 CD LYS A 18 6.614 28.197 11.154 1.00 1.73 C ATOM 240 CE LYS A 18 7.681 28.075 12.228 1.00 1.91 C ATOM 241 NZ LYS A 18 7.637 26.743 12.894 1.00 2.50 N ATOM 0 H LYS A 18 5.915 28.983 8.334 1.00 1.18 H new ATOM 0 HA LYS A 18 7.783 31.156 7.977 1.00 1.23 H new ATOM 0 HB2 LYS A 18 8.546 29.049 9.887 1.00 1.28 H new ATOM 0 HB3 LYS A 18 8.321 30.763 10.174 1.00 1.28 H new ATOM 0 HG2 LYS A 18 6.443 30.329 11.305 1.00 1.34 H new ATOM 0 HG3 LYS A 18 5.717 29.653 9.860 1.00 1.34 H new ATOM 0 HD2 LYS A 18 5.639 27.972 11.587 1.00 1.73 H new ATOM 0 HD3 LYS A 18 6.797 27.454 10.378 1.00 1.73 H new ATOM 0 HE2 LYS A 18 8.665 28.228 11.784 1.00 1.91 H new ATOM 0 HE3 LYS A 18 7.541 28.859 12.972 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 7.293 26.854 13.869 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 6.996 26.114 12.370 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 8.591 26.330 12.908 1.00 2.50 H new ATOM 255 N GLY A 19 8.370 28.196 6.786 1.00 1.02 N ATOM 256 CA GLY A 19 9.336 27.391 6.047 1.00 0.95 C ATOM 257 C GLY A 19 8.967 27.530 4.584 1.00 0.91 C ATOM 258 O GLY A 19 8.225 28.449 4.277 1.00 1.00 O ATOM 0 H GLY A 19 7.410 27.861 6.707 1.00 1.02 H new ATOM 0 HA2 GLY A 19 10.353 27.740 6.227 1.00 0.95 H new ATOM 0 HA3 GLY A 19 9.296 26.348 6.362 1.00 0.95 H new ATOM 262 N ARG A 20 9.488 26.735 3.643 1.00 0.86 N ATOM 263 CA ARG A 20 9.122 26.915 2.229 1.00 0.86 C ATOM 264 C ARG A 20 8.354 25.695 1.680 1.00 0.80 C ATOM 265 O ARG A 20 8.225 24.668 2.358 1.00 0.78 O ATOM 266 CB ARG A 20 10.375 27.146 1.400 1.00 0.94 C ATOM 267 CG ARG A 20 11.053 28.478 1.673 1.00 1.13 C ATOM 268 CD ARG A 20 12.071 28.362 2.795 1.00 1.55 C ATOM 269 NE ARG A 20 12.722 29.640 3.080 1.00 1.82 N ATOM 270 CZ ARG A 20 12.125 30.663 3.695 1.00 2.25 C ATOM 271 NH1 ARG A 20 10.861 30.567 4.095 1.00 2.59 N ATOM 272 NH2 ARG A 20 12.796 31.785 3.910 1.00 2.92 N ATOM 0 H ARG A 20 10.148 25.979 3.824 1.00 0.86 H new ATOM 0 HA ARG A 20 8.466 27.783 2.161 1.00 0.86 H new ATOM 0 HB2 ARG A 20 11.083 26.341 1.597 1.00 0.94 H new ATOM 0 HB3 ARG A 20 10.115 27.091 0.343 1.00 0.94 H new ATOM 0 HG2 ARG A 20 11.546 28.829 0.767 1.00 1.13 H new ATOM 0 HG3 ARG A 20 10.302 29.223 1.936 1.00 1.13 H new ATOM 0 HD2 ARG A 20 11.577 27.998 3.696 1.00 1.55 H new ATOM 0 HD3 ARG A 20 12.826 27.623 2.525 1.00 1.55 H new ATOM 0 HE ARG A 20 13.693 29.757 2.791 1.00 1.82 H new ATOM 0 HH11 ARG A 20 10.339 29.706 3.933 1.00 2.59 H new ATOM 0 HH12 ARG A 20 10.413 31.354 4.564 1.00 2.59 H new ATOM 0 HH21 ARG A 20 13.766 31.865 3.606 1.00 2.92 H new ATOM 0 HH22 ARG A 20 12.342 32.569 4.380 1.00 2.92 H new ATOM 286 N CYS A 21 7.854 25.810 0.442 1.00 0.82 N ATOM 287 CA CYS A 21 7.105 24.717 -0.195 1.00 0.81 C ATOM 288 C CYS A 21 7.946 24.038 -1.276 1.00 0.84 C ATOM 289 O CYS A 21 8.812 24.664 -1.890 1.00 1.04 O ATOM 290 CB CYS A 21 5.812 25.246 -0.838 1.00 0.91 C ATOM 291 SG CYS A 21 4.307 25.023 0.170 1.00 1.10 S ATOM 0 H CYS A 21 7.954 26.644 -0.136 1.00 0.82 H new ATOM 0 HA CYS A 21 6.859 23.994 0.583 1.00 0.81 H new ATOM 0 HB2 CYS A 21 5.936 26.308 -1.049 1.00 0.91 H new ATOM 0 HB3 CYS A 21 5.668 24.745 -1.795 1.00 0.91 H new ATOM 296 N PHE A 22 7.682 22.752 -1.503 1.00 0.76 N ATOM 297 CA PHE A 22 8.410 21.982 -2.510 1.00 0.83 C ATOM 298 C PHE A 22 7.446 21.357 -3.515 1.00 0.94 C ATOM 299 O PHE A 22 7.655 21.436 -4.726 1.00 1.43 O ATOM 300 CB PHE A 22 9.248 20.890 -1.839 1.00 0.85 C ATOM 301 CG PHE A 22 10.501 21.408 -1.190 1.00 0.84 C ATOM 302 CD1 PHE A 22 10.479 21.881 0.112 1.00 1.42 C ATOM 303 CD2 PHE A 22 11.701 21.420 -1.883 1.00 1.40 C ATOM 304 CE1 PHE A 22 11.630 22.359 0.711 1.00 1.50 C ATOM 305 CE2 PHE A 22 12.856 21.895 -1.289 1.00 1.51 C ATOM 306 CZ PHE A 22 12.819 22.365 0.009 1.00 1.14 C ATOM 0 H PHE A 22 6.969 22.221 -1.003 1.00 0.76 H new ATOM 0 HA PHE A 22 9.074 22.661 -3.044 1.00 0.83 H new ATOM 0 HB2 PHE A 22 8.640 20.388 -1.087 1.00 0.85 H new ATOM 0 HB3 PHE A 22 9.517 20.141 -2.584 1.00 0.85 H new ATOM 0 HD1 PHE A 22 9.552 21.876 0.666 1.00 1.42 H new ATOM 0 HD2 PHE A 22 11.735 21.054 -2.899 1.00 1.40 H new ATOM 0 HE1 PHE A 22 11.599 22.727 1.726 1.00 1.50 H new ATOM 0 HE2 PHE A 22 13.785 21.898 -1.839 1.00 1.51 H new ATOM 0 HZ PHE A 22 13.720 22.737 0.475 1.00 1.14 H new ATOM 316 N GLY A 23 6.386 20.741 -3.000 1.00 0.83 N ATOM 317 CA GLY A 23 5.390 20.114 -3.854 1.00 0.88 C ATOM 318 C GLY A 23 3.979 20.391 -3.364 1.00 0.88 C ATOM 319 O GLY A 23 3.775 21.325 -2.591 1.00 0.90 O ATOM 0 H GLY A 23 6.198 20.664 -2.001 1.00 0.83 H new ATOM 0 HA2 GLY A 23 5.500 20.482 -4.874 1.00 0.88 H new ATOM 0 HA3 GLY A 23 5.561 19.038 -3.884 1.00 0.88 H new ATOM 323 N PRO A 24 2.969 19.601 -3.783 1.00 1.01 N ATOM 324 CA PRO A 24 1.591 19.807 -3.346 1.00 1.07 C ATOM 325 C PRO A 24 1.367 19.271 -1.935 1.00 0.96 C ATOM 326 O PRO A 24 1.075 20.032 -1.012 1.00 1.03 O ATOM 327 CB PRO A 24 0.750 19.020 -4.366 1.00 1.32 C ATOM 328 CG PRO A 24 1.721 18.455 -5.360 1.00 1.50 C ATOM 329 CD PRO A 24 3.070 18.458 -4.697 1.00 1.24 C ATOM 0 HA PRO A 24 1.328 20.864 -3.306 1.00 1.07 H new ATOM 0 HB2 PRO A 24 0.187 18.225 -3.876 1.00 1.32 H new ATOM 0 HB3 PRO A 24 0.024 19.669 -4.856 1.00 1.32 H new ATOM 0 HG2 PRO A 24 1.434 17.444 -5.649 1.00 1.50 H new ATOM 0 HG3 PRO A 24 1.736 19.055 -6.270 1.00 1.50 H new ATOM 0 HD2 PRO A 24 3.263 17.527 -4.164 1.00 1.24 H new ATOM 0 HD3 PRO A 24 3.877 18.585 -5.419 1.00 1.24 H new ATOM 337 N SER A 25 1.526 17.959 -1.772 1.00 0.97 N ATOM 338 CA SER A 25 1.362 17.328 -0.465 1.00 0.92 C ATOM 339 C SER A 25 2.705 17.259 0.247 1.00 0.78 C ATOM 340 O SER A 25 2.986 16.304 0.960 1.00 0.81 O ATOM 341 CB SER A 25 0.773 15.913 -0.607 1.00 1.12 C ATOM 342 OG SER A 25 -0.639 15.936 -0.488 1.00 1.26 O ATOM 0 H SER A 25 1.767 17.315 -2.525 1.00 0.97 H new ATOM 0 HA SER A 25 0.669 17.931 0.122 1.00 0.92 H new ATOM 0 HB2 SER A 25 1.053 15.494 -1.573 1.00 1.12 H new ATOM 0 HB3 SER A 25 1.195 15.261 0.158 1.00 1.12 H new ATOM 0 HG SER A 25 -0.990 15.026 -0.583 1.00 1.26 H new ATOM 348 N ILE A 26 3.562 18.256 0.021 1.00 0.70 N ATOM 349 CA ILE A 26 4.873 18.268 0.633 1.00 0.61 C ATOM 350 C ILE A 26 5.373 19.695 0.892 1.00 0.58 C ATOM 351 O ILE A 26 5.509 20.502 -0.031 1.00 0.73 O ATOM 352 CB ILE A 26 5.890 17.494 -0.219 1.00 0.60 C ATOM 353 CG1 ILE A 26 5.306 16.165 -0.689 1.00 0.79 C ATOM 354 CG2 ILE A 26 7.153 17.287 0.567 1.00 0.74 C ATOM 355 CD1 ILE A 26 6.187 15.433 -1.682 1.00 0.83 C ATOM 0 H ILE A 26 3.365 19.057 -0.579 1.00 0.70 H new ATOM 0 HA ILE A 26 4.775 17.770 1.597 1.00 0.61 H new ATOM 0 HB ILE A 26 6.126 18.078 -1.109 1.00 0.60 H new ATOM 0 HG12 ILE A 26 5.139 15.524 0.177 1.00 0.79 H new ATOM 0 HG13 ILE A 26 4.332 16.346 -1.144 1.00 0.79 H new ATOM 0 HG21 ILE A 26 7.873 16.738 -0.039 1.00 0.74 H new ATOM 0 HG22 ILE A 26 7.573 18.254 0.842 1.00 0.74 H new ATOM 0 HG23 ILE A 26 6.931 16.718 1.470 1.00 0.74 H new ATOM 0 HD11 ILE A 26 5.709 14.497 -1.972 1.00 0.83 H new ATOM 0 HD12 ILE A 26 6.334 16.054 -2.565 1.00 0.83 H new ATOM 0 HD13 ILE A 26 7.153 15.220 -1.224 1.00 0.83 H new ATOM 367 N CYS A 27 5.655 19.985 2.160 1.00 0.56 N ATOM 368 CA CYS A 27 6.156 21.297 2.580 1.00 0.56 C ATOM 369 C CYS A 27 7.227 21.087 3.644 1.00 0.55 C ATOM 370 O CYS A 27 6.987 20.404 4.640 1.00 0.59 O ATOM 371 CB CYS A 27 5.012 22.153 3.133 1.00 0.60 C ATOM 372 SG CYS A 27 5.335 23.952 3.179 1.00 0.92 S ATOM 0 H CYS A 27 5.544 19.321 2.926 1.00 0.56 H new ATOM 0 HA CYS A 27 6.583 21.822 1.725 1.00 0.56 H new ATOM 0 HB2 CYS A 27 4.122 21.975 2.529 1.00 0.60 H new ATOM 0 HB3 CYS A 27 4.783 21.815 4.144 1.00 0.60 H new ATOM 377 N CYS A 28 8.419 21.632 3.420 1.00 0.56 N ATOM 378 CA CYS A 28 9.513 21.441 4.358 1.00 0.58 C ATOM 379 C CYS A 28 10.354 22.716 4.630 1.00 0.61 C ATOM 380 O CYS A 28 10.956 23.253 3.703 1.00 0.76 O ATOM 381 CB CYS A 28 10.515 20.358 3.865 1.00 0.65 C ATOM 382 SG CYS A 28 9.958 19.259 2.509 1.00 1.28 S ATOM 0 H CYS A 28 8.648 22.203 2.606 1.00 0.56 H new ATOM 0 HA CYS A 28 9.007 21.141 5.276 1.00 0.58 H new ATOM 0 HB2 CYS A 28 11.425 20.862 3.539 1.00 0.65 H new ATOM 0 HB3 CYS A 28 10.784 19.734 4.717 1.00 0.65 H new ATOM 387 N GLY A 29 10.455 23.172 5.915 1.00 0.62 N ATOM 388 CA GLY A 29 11.277 24.302 6.226 1.00 0.65 C ATOM 389 C GLY A 29 12.573 23.844 6.857 1.00 0.67 C ATOM 390 O GLY A 29 12.880 22.648 6.888 1.00 0.66 O ATOM 0 H GLY A 29 9.973 22.759 6.714 1.00 0.62 H new ATOM 0 HA2 GLY A 29 11.486 24.870 5.320 1.00 0.65 H new ATOM 0 HA3 GLY A 29 10.748 24.970 6.906 1.00 0.65 H new ATOM 394 N ASP A 30 13.322 24.793 7.358 1.00 0.72 N ATOM 395 CA ASP A 30 14.610 24.547 7.967 1.00 0.76 C ATOM 396 C ASP A 30 14.537 23.743 9.236 1.00 0.77 C ATOM 397 O ASP A 30 15.250 22.750 9.399 1.00 0.80 O ATOM 398 CB ASP A 30 15.303 25.880 8.258 1.00 0.84 C ATOM 399 CG ASP A 30 16.796 25.726 8.473 1.00 1.41 C ATOM 400 OD1 ASP A 30 17.193 25.199 9.533 1.00 2.27 O ATOM 401 OD2 ASP A 30 17.568 26.137 7.581 1.00 1.92 O ATOM 0 H ASP A 30 13.052 25.777 7.355 1.00 0.72 H new ATOM 0 HA ASP A 30 15.179 23.955 7.251 1.00 0.76 H new ATOM 0 HB2 ASP A 30 15.128 26.565 7.428 1.00 0.84 H new ATOM 0 HB3 ASP A 30 14.857 26.332 9.144 1.00 0.84 H new ATOM 406 N GLU A 31 13.733 24.208 10.148 1.00 0.78 N ATOM 407 CA GLU A 31 13.637 23.555 11.466 1.00 0.83 C ATOM 408 C GLU A 31 12.258 23.026 11.702 1.00 0.87 C ATOM 409 O GLU A 31 11.909 22.566 12.788 1.00 1.00 O ATOM 410 CB GLU A 31 14.012 24.503 12.615 1.00 0.90 C ATOM 411 CG GLU A 31 14.422 25.911 12.204 1.00 0.99 C ATOM 412 CD GLU A 31 15.438 26.521 13.151 1.00 1.14 C ATOM 413 OE1 GLU A 31 15.119 26.661 14.351 1.00 1.66 O ATOM 414 OE2 GLU A 31 16.548 26.860 12.693 1.00 1.64 O ATOM 0 H GLU A 31 13.133 25.024 10.028 1.00 0.78 H new ATOM 0 HA GLU A 31 14.351 22.732 11.452 1.00 0.83 H new ATOM 0 HB2 GLU A 31 13.162 24.576 13.293 1.00 0.90 H new ATOM 0 HB3 GLU A 31 14.831 24.056 13.178 1.00 0.90 H new ATOM 0 HG2 GLU A 31 14.839 25.885 11.197 1.00 0.99 H new ATOM 0 HG3 GLU A 31 13.538 26.547 12.167 1.00 0.99 H new ATOM 421 N LEU A 32 11.443 23.182 10.676 1.00 0.82 N ATOM 422 CA LEU A 32 10.085 22.786 10.678 1.00 0.88 C ATOM 423 C LEU A 32 10.010 21.428 10.021 1.00 0.82 C ATOM 424 O LEU A 32 9.099 20.637 10.270 1.00 0.90 O ATOM 425 CB LEU A 32 9.319 23.827 9.896 1.00 0.93 C ATOM 426 CG LEU A 32 8.156 24.487 10.623 1.00 1.15 C ATOM 427 CD1 LEU A 32 7.696 25.713 9.854 1.00 1.24 C ATOM 428 CD2 LEU A 32 7.010 23.507 10.820 1.00 1.37 C ATOM 0 H LEU A 32 11.738 23.605 9.796 1.00 0.82 H new ATOM 0 HA LEU A 32 9.662 22.713 11.680 1.00 0.88 H new ATOM 0 HB2 LEU A 32 10.016 24.605 9.586 1.00 0.93 H new ATOM 0 HB3 LEU A 32 8.936 23.361 8.988 1.00 0.93 H new ATOM 0 HG LEU A 32 8.494 24.800 11.611 1.00 1.15 H new ATOM 0 HD11 LEU A 32 6.863 26.181 10.379 1.00 1.24 H new ATOM 0 HD12 LEU A 32 8.520 26.423 9.774 1.00 1.24 H new ATOM 0 HD13 LEU A 32 7.374 25.417 8.856 1.00 1.24 H new ATOM 0 HD21 LEU A 32 6.192 24.004 11.342 1.00 1.37 H new ATOM 0 HD22 LEU A 32 6.661 23.156 9.849 1.00 1.37 H new ATOM 0 HD23 LEU A 32 7.355 22.658 11.411 1.00 1.37 H new ATOM 440 N GLY A 33 11.036 21.151 9.220 1.00 0.73 N ATOM 441 CA GLY A 33 11.136 19.894 8.590 1.00 0.71 C ATOM 442 C GLY A 33 10.202 19.768 7.420 1.00 0.67 C ATOM 443 O GLY A 33 10.131 20.694 6.660 1.00 0.65 O ATOM 0 H GLY A 33 11.796 21.798 9.010 1.00 0.73 H new ATOM 0 HA2 GLY A 33 12.161 19.740 8.252 1.00 0.71 H new ATOM 0 HA3 GLY A 33 10.917 19.109 9.313 1.00 0.71 H new ATOM 447 N CYS A 34 9.488 18.642 7.260 1.00 0.70 N ATOM 448 CA CYS A 34 8.579 18.485 6.108 1.00 0.69 C ATOM 449 C CYS A 34 7.285 17.807 6.438 1.00 0.65 C ATOM 450 O CYS A 34 7.290 16.649 6.857 1.00 0.62 O ATOM 451 CB CYS A 34 9.229 17.662 5.007 1.00 0.73 C ATOM 452 SG CYS A 34 8.574 18.038 3.350 1.00 1.08 S ATOM 0 H CYS A 34 9.518 17.844 7.895 1.00 0.70 H new ATOM 0 HA CYS A 34 8.372 19.507 5.789 1.00 0.69 H new ATOM 0 HB2 CYS A 34 10.304 17.841 5.015 1.00 0.73 H new ATOM 0 HB3 CYS A 34 9.080 16.603 5.218 1.00 0.73 H new ATOM 457 N PHE A 35 6.157 18.479 6.184 1.00 0.68 N ATOM 458 CA PHE A 35 4.893 17.846 6.388 1.00 0.67 C ATOM 459 C PHE A 35 4.540 17.326 5.029 1.00 0.64 C ATOM 460 O PHE A 35 4.124 18.095 4.156 1.00 0.63 O ATOM 461 CB PHE A 35 3.828 18.852 6.851 1.00 0.69 C ATOM 462 CG PHE A 35 4.249 19.728 7.996 1.00 0.73 C ATOM 463 CD1 PHE A 35 5.281 20.643 7.847 1.00 0.98 C ATOM 464 CD2 PHE A 35 3.604 19.643 9.218 1.00 1.16 C ATOM 465 CE1 PHE A 35 5.660 21.455 8.900 1.00 1.21 C ATOM 466 CE2 PHE A 35 3.980 20.451 10.273 1.00 1.38 C ATOM 467 CZ PHE A 35 5.009 21.359 10.114 1.00 1.26 C ATOM 0 H PHE A 35 6.114 19.440 5.845 1.00 0.68 H new ATOM 0 HA PHE A 35 4.938 17.075 7.157 1.00 0.67 H new ATOM 0 HB2 PHE A 35 3.555 19.486 6.007 1.00 0.69 H new ATOM 0 HB3 PHE A 35 2.931 18.304 7.141 1.00 0.69 H new ATOM 0 HD1 PHE A 35 5.793 20.722 6.899 1.00 0.98 H new ATOM 0 HD2 PHE A 35 2.797 18.937 9.348 1.00 1.16 H new ATOM 0 HE1 PHE A 35 6.465 22.164 8.773 1.00 1.21 H new ATOM 0 HE2 PHE A 35 3.470 20.373 11.222 1.00 1.38 H new ATOM 0 HZ PHE A 35 5.304 21.992 10.938 1.00 1.26 H new ATOM 477 N VAL A 36 4.726 16.040 4.828 1.00 0.67 N ATOM 478 CA VAL A 36 4.442 15.476 3.538 1.00 0.68 C ATOM 479 C VAL A 36 3.036 14.930 3.550 1.00 0.71 C ATOM 480 O VAL A 36 2.768 13.747 3.793 1.00 0.74 O ATOM 481 CB VAL A 36 5.490 14.421 3.088 1.00 0.74 C ATOM 482 CG1 VAL A 36 5.496 14.307 1.568 1.00 0.75 C ATOM 483 CG2 VAL A 36 6.891 14.789 3.591 1.00 0.76 C ATOM 0 H VAL A 36 5.066 15.381 5.529 1.00 0.67 H new ATOM 0 HA VAL A 36 4.515 16.264 2.789 1.00 0.68 H new ATOM 0 HB VAL A 36 5.213 13.459 3.520 1.00 0.74 H new ATOM 0 HG11 VAL A 36 6.234 13.565 1.262 1.00 0.75 H new ATOM 0 HG12 VAL A 36 4.509 14.001 1.222 1.00 0.75 H new ATOM 0 HG13 VAL A 36 5.750 15.273 1.132 1.00 0.75 H new ATOM 0 HG21 VAL A 36 7.605 14.034 3.262 1.00 0.76 H new ATOM 0 HG22 VAL A 36 7.178 15.760 3.189 1.00 0.76 H new ATOM 0 HG23 VAL A 36 6.886 14.834 4.680 1.00 0.76 H new ATOM 493 N GLY A 37 2.141 15.856 3.292 1.00 0.71 N ATOM 494 CA GLY A 37 0.721 15.543 3.255 1.00 0.76 C ATOM 495 C GLY A 37 0.001 15.813 4.566 1.00 0.72 C ATOM 496 O GLY A 37 -0.271 14.892 5.337 1.00 0.81 O ATOM 0 H GLY A 37 2.366 16.833 3.104 1.00 0.71 H new ATOM 0 HA2 GLY A 37 0.250 16.128 2.465 1.00 0.76 H new ATOM 0 HA3 GLY A 37 0.596 14.493 2.992 1.00 0.76 H new ATOM 500 N THR A 38 -0.322 17.078 4.802 1.00 0.68 N ATOM 501 CA THR A 38 -1.034 17.500 6.009 1.00 0.68 C ATOM 502 C THR A 38 -1.672 18.857 5.751 1.00 0.72 C ATOM 503 O THR A 38 -1.522 19.395 4.653 1.00 0.77 O ATOM 504 CB THR A 38 -0.072 17.592 7.195 1.00 0.72 C ATOM 505 OG1 THR A 38 1.002 18.469 6.900 1.00 0.77 O ATOM 506 CG2 THR A 38 0.521 16.258 7.591 1.00 0.76 C ATOM 0 H THR A 38 -0.100 17.843 4.165 1.00 0.68 H new ATOM 0 HA THR A 38 -1.803 16.767 6.251 1.00 0.68 H new ATOM 0 HB THR A 38 -0.672 17.964 8.026 1.00 0.72 H new ATOM 0 HG1 THR A 38 1.168 19.053 7.669 1.00 0.77 H new ATOM 0 HG21 THR A 38 1.193 16.396 8.438 1.00 0.76 H new ATOM 0 HG22 THR A 38 -0.279 15.573 7.871 1.00 0.76 H new ATOM 0 HG23 THR A 38 1.077 15.843 6.750 1.00 0.76 H new ATOM 514 N ALA A 39 -2.413 19.418 6.711 1.00 0.77 N ATOM 515 CA ALA A 39 -3.064 20.705 6.506 1.00 0.86 C ATOM 516 C ALA A 39 -2.061 21.838 6.332 1.00 0.82 C ATOM 517 O ALA A 39 -2.362 22.844 5.689 1.00 0.86 O ATOM 518 CB ALA A 39 -3.966 21.003 7.698 1.00 1.02 C ATOM 0 H ALA A 39 -2.573 19.002 7.628 1.00 0.77 H new ATOM 0 HA ALA A 39 -3.647 20.641 5.588 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -4.457 21.965 7.551 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -4.720 20.221 7.788 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -3.367 21.036 8.608 1.00 1.02 H new ATOM 524 N GLU A 40 -0.858 21.664 6.872 1.00 0.78 N ATOM 525 CA GLU A 40 0.185 22.678 6.737 1.00 0.79 C ATOM 526 C GLU A 40 0.581 22.836 5.273 1.00 0.74 C ATOM 527 O GLU A 40 1.048 23.894 4.857 1.00 0.79 O ATOM 528 CB GLU A 40 1.407 22.302 7.576 1.00 0.82 C ATOM 529 CG GLU A 40 1.487 23.045 8.900 1.00 1.25 C ATOM 530 CD GLU A 40 0.645 22.400 9.984 1.00 1.55 C ATOM 531 OE1 GLU A 40 1.115 21.417 10.594 1.00 1.91 O ATOM 532 OE2 GLU A 40 -0.485 22.878 10.222 1.00 2.32 O ATOM 0 H GLU A 40 -0.582 20.838 7.403 1.00 0.78 H new ATOM 0 HA GLU A 40 -0.207 23.628 7.100 1.00 0.79 H new ATOM 0 HB2 GLU A 40 1.388 21.230 7.771 1.00 0.82 H new ATOM 0 HB3 GLU A 40 2.310 22.505 7.000 1.00 0.82 H new ATOM 0 HG2 GLU A 40 2.526 23.085 9.228 1.00 1.25 H new ATOM 0 HG3 GLU A 40 1.159 24.074 8.755 1.00 1.25 H new ATOM 539 N ALA A 41 0.360 21.782 4.496 1.00 0.70 N ATOM 540 CA ALA A 41 0.664 21.793 3.077 1.00 0.71 C ATOM 541 C ALA A 41 -0.502 22.384 2.289 1.00 0.78 C ATOM 542 O ALA A 41 -0.399 22.620 1.097 1.00 0.87 O ATOM 543 CB ALA A 41 0.975 20.385 2.589 1.00 0.77 C ATOM 0 H ALA A 41 -0.033 20.903 4.833 1.00 0.70 H new ATOM 0 HA ALA A 41 1.543 22.417 2.916 1.00 0.71 H new ATOM 0 HB1 ALA A 41 1.201 20.411 1.523 1.00 0.77 H new ATOM 0 HB2 ALA A 41 1.835 19.993 3.133 1.00 0.77 H new ATOM 0 HB3 ALA A 41 0.112 19.741 2.762 1.00 0.77 H new ATOM 549 N LEU A 42 -1.637 22.585 2.951 1.00 0.81 N ATOM 550 CA LEU A 42 -2.815 23.121 2.273 1.00 0.94 C ATOM 551 C LEU A 42 -2.511 24.425 1.532 1.00 1.05 C ATOM 552 O LEU A 42 -2.926 24.597 0.385 1.00 1.23 O ATOM 553 CB LEU A 42 -3.987 23.278 3.243 1.00 0.98 C ATOM 554 CG LEU A 42 -4.960 22.095 3.260 1.00 1.02 C ATOM 555 CD1 LEU A 42 -5.569 21.916 4.642 1.00 1.11 C ATOM 556 CD2 LEU A 42 -6.049 22.285 2.216 1.00 1.16 C ATOM 0 H LEU A 42 -1.767 22.388 3.943 1.00 0.81 H new ATOM 0 HA LEU A 42 -3.110 22.395 1.515 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -3.593 23.422 4.249 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -4.538 24.182 2.984 1.00 0.98 H new ATOM 0 HG LEU A 42 -4.402 21.191 3.015 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -6.257 21.070 4.630 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -4.777 21.729 5.367 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -6.111 22.820 4.921 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -6.731 21.435 2.243 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -6.601 23.200 2.429 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -5.596 22.356 1.227 1.00 1.16 H new ATOM 568 N ARG A 43 -1.740 25.310 2.148 1.00 1.04 N ATOM 569 CA ARG A 43 -1.342 26.551 1.477 1.00 1.23 C ATOM 570 C ARG A 43 -0.333 26.224 0.357 1.00 1.24 C ATOM 571 O ARG A 43 -0.070 27.031 -0.535 1.00 1.46 O ATOM 572 CB ARG A 43 -0.703 27.510 2.486 1.00 1.32 C ATOM 573 CG ARG A 43 0.355 26.853 3.362 1.00 1.34 C ATOM 574 CD ARG A 43 0.478 27.545 4.711 1.00 1.50 C ATOM 575 NE ARG A 43 1.250 28.785 4.622 1.00 1.88 N ATOM 576 CZ ARG A 43 0.782 29.985 4.967 1.00 2.20 C ATOM 577 NH1 ARG A 43 -0.454 30.120 5.435 1.00 2.39 N ATOM 578 NH2 ARG A 43 1.555 31.055 4.843 1.00 2.92 N ATOM 0 H ARG A 43 -1.380 25.200 3.096 1.00 1.04 H new ATOM 0 HA ARG A 43 -2.223 27.027 1.047 1.00 1.23 H new ATOM 0 HB2 ARG A 43 -0.251 28.343 1.948 1.00 1.32 H new ATOM 0 HB3 ARG A 43 -1.483 27.927 3.123 1.00 1.32 H new ATOM 0 HG2 ARG A 43 0.102 25.804 3.513 1.00 1.34 H new ATOM 0 HG3 ARG A 43 1.317 26.878 2.851 1.00 1.34 H new ATOM 0 HD2 ARG A 43 -0.517 27.764 5.098 1.00 1.50 H new ATOM 0 HD3 ARG A 43 0.955 26.871 5.422 1.00 1.50 H new ATOM 0 HE ARG A 43 2.207 28.728 4.274 1.00 1.88 H new ATOM 0 HH11 ARG A 43 -1.054 29.301 5.533 1.00 2.39 H new ATOM 0 HH12 ARG A 43 -0.803 31.042 5.696 1.00 2.39 H new ATOM 0 HH21 ARG A 43 2.505 30.959 4.484 1.00 2.92 H new ATOM 0 HH22 ARG A 43 1.200 31.974 5.106 1.00 2.92 H new ATOM 592 N CYS A 44 0.223 25.013 0.462 1.00 1.08 N ATOM 593 CA CYS A 44 1.240 24.560 -0.511 1.00 1.15 C ATOM 594 C CYS A 44 0.665 24.606 -1.937 1.00 1.41 C ATOM 595 O CYS A 44 1.403 24.579 -2.916 1.00 1.57 O ATOM 596 CB CYS A 44 1.850 23.199 -0.174 1.00 1.04 C ATOM 597 SG CYS A 44 3.676 23.145 -0.304 1.00 1.28 S ATOM 0 H CYS A 44 -0.003 24.337 1.191 1.00 1.08 H new ATOM 0 HA CYS A 44 2.075 25.258 -0.450 1.00 1.15 H new ATOM 0 HB2 CYS A 44 1.560 22.924 0.840 1.00 1.04 H new ATOM 0 HB3 CYS A 44 1.427 22.448 -0.841 1.00 1.04 H new ATOM 602 N GLN A 45 -0.667 24.642 -2.025 1.00 1.55 N ATOM 603 CA GLN A 45 -1.374 24.693 -3.316 1.00 1.86 C ATOM 604 C GLN A 45 -0.813 25.813 -4.212 1.00 2.09 C ATOM 605 O GLN A 45 -0.871 25.740 -5.447 1.00 2.35 O ATOM 606 CB GLN A 45 -2.871 24.923 -3.096 1.00 1.97 C ATOM 607 CG GLN A 45 -3.736 23.735 -3.480 1.00 2.40 C ATOM 608 CD GLN A 45 -4.669 23.315 -2.363 1.00 2.73 C ATOM 609 OE1 GLN A 45 -5.692 23.955 -2.118 1.00 3.31 O ATOM 610 NE2 GLN A 45 -4.319 22.234 -1.675 1.00 3.02 N ATOM 0 H GLN A 45 -1.285 24.637 -1.214 1.00 1.55 H new ATOM 0 HA GLN A 45 -1.222 23.735 -3.814 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -3.042 25.161 -2.046 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -3.185 25.791 -3.675 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -4.322 23.986 -4.364 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -3.096 22.895 -3.750 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -3.462 21.734 -1.912 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -4.907 21.904 -0.910 1.00 3.02 H new ATOM 619 N GLU A 46 -0.238 26.838 -3.588 1.00 2.07 N ATOM 620 CA GLU A 46 0.328 27.952 -4.348 1.00 2.35 C ATOM 621 C GLU A 46 1.737 27.610 -4.822 1.00 2.34 C ATOM 622 O GLU A 46 2.434 28.444 -5.408 1.00 2.50 O ATOM 623 CB GLU A 46 0.370 29.220 -3.490 1.00 2.41 C ATOM 624 CG GLU A 46 -0.996 29.831 -3.225 1.00 2.80 C ATOM 625 CD GLU A 46 -1.016 30.692 -1.977 1.00 3.19 C ATOM 626 OE1 GLU A 46 -0.938 30.128 -0.865 1.00 3.53 O ATOM 627 OE2 GLU A 46 -1.108 31.930 -2.111 1.00 3.69 O ATOM 0 H GLU A 46 -0.152 26.922 -2.575 1.00 2.07 H new ATOM 0 HA GLU A 46 -0.308 28.130 -5.215 1.00 2.35 H new ATOM 0 HB2 GLU A 46 0.843 28.986 -2.536 1.00 2.41 H new ATOM 0 HB3 GLU A 46 0.998 29.961 -3.985 1.00 2.41 H new ATOM 0 HG2 GLU A 46 -1.293 30.434 -4.083 1.00 2.80 H new ATOM 0 HG3 GLU A 46 -1.733 29.034 -3.125 1.00 2.80 H new ATOM 634 N GLU A 47 2.122 26.354 -4.628 1.00 2.22 N ATOM 635 CA GLU A 47 3.413 25.880 -5.083 1.00 2.31 C ATOM 636 C GLU A 47 3.344 25.582 -6.580 1.00 2.34 C ATOM 637 O GLU A 47 4.328 25.161 -7.187 1.00 2.42 O ATOM 638 CB GLU A 47 3.815 24.619 -4.313 1.00 2.37 C ATOM 639 CG GLU A 47 5.315 24.372 -4.283 1.00 2.96 C ATOM 640 CD GLU A 47 5.759 23.361 -5.323 1.00 3.45 C ATOM 641 OE1 GLU A 47 5.011 22.390 -5.564 1.00 3.99 O ATOM 642 OE2 GLU A 47 6.854 23.540 -5.894 1.00 3.68 O ATOM 0 H GLU A 47 1.554 25.649 -4.158 1.00 2.22 H new ATOM 0 HA GLU A 47 4.163 26.650 -4.902 1.00 2.31 H new ATOM 0 HB2 GLU A 47 3.448 24.697 -3.290 1.00 2.37 H new ATOM 0 HB3 GLU A 47 3.323 23.757 -4.763 1.00 2.37 H new ATOM 0 HG2 GLU A 47 5.838 25.314 -4.450 1.00 2.96 H new ATOM 0 HG3 GLU A 47 5.602 24.019 -3.292 1.00 2.96 H new ATOM 649 N ASN A 48 2.171 25.828 -7.177 1.00 2.53 N ATOM 650 CA ASN A 48 1.988 25.612 -8.598 1.00 2.96 C ATOM 651 C ASN A 48 2.778 26.647 -9.397 1.00 3.29 C ATOM 652 O ASN A 48 3.206 26.377 -10.519 1.00 3.76 O ATOM 653 CB ASN A 48 0.504 25.697 -8.963 1.00 3.12 C ATOM 654 CG ASN A 48 -0.257 24.436 -8.607 1.00 3.42 C ATOM 655 OD1 ASN A 48 0.196 23.325 -8.880 1.00 3.86 O ATOM 656 ND2 ASN A 48 -1.423 24.602 -7.992 1.00 3.75 N ATOM 0 H ASN A 48 1.344 26.175 -6.691 1.00 2.53 H new ATOM 0 HA ASN A 48 2.356 24.616 -8.845 1.00 2.96 H new ATOM 0 HB2 ASN A 48 0.055 26.546 -8.447 1.00 3.12 H new ATOM 0 HB3 ASN A 48 0.407 25.886 -10.032 1.00 3.12 H new ATOM 0 HD21 ASN A 48 -1.980 23.790 -7.727 1.00 3.75 H new ATOM 0 HD22 ASN A 48 -1.761 25.542 -7.785 1.00 3.75 H new ATOM 663 N TYR A 49 2.964 27.839 -8.819 1.00 3.15 N ATOM 664 CA TYR A 49 3.698 28.902 -9.510 1.00 3.51 C ATOM 665 C TYR A 49 5.204 28.624 -9.566 1.00 3.62 C ATOM 666 O TYR A 49 5.970 29.443 -10.075 1.00 4.04 O ATOM 667 CB TYR A 49 3.446 30.248 -8.826 1.00 3.61 C ATOM 668 CG TYR A 49 2.408 31.102 -9.523 1.00 3.97 C ATOM 669 CD1 TYR A 49 2.739 31.860 -10.642 1.00 4.52 C ATOM 670 CD2 TYR A 49 1.098 31.154 -9.062 1.00 4.19 C ATOM 671 CE1 TYR A 49 1.794 32.642 -11.280 1.00 5.05 C ATOM 672 CE2 TYR A 49 0.148 31.933 -9.696 1.00 4.70 C ATOM 673 CZ TYR A 49 0.501 32.675 -10.803 1.00 5.03 C ATOM 674 OH TYR A 49 -0.442 33.453 -11.435 1.00 5.68 O ATOM 0 H TYR A 49 2.623 28.088 -7.891 1.00 3.15 H new ATOM 0 HA TYR A 49 3.329 28.934 -10.535 1.00 3.51 H new ATOM 0 HB2 TYR A 49 3.126 30.069 -7.799 1.00 3.61 H new ATOM 0 HB3 TYR A 49 4.384 30.801 -8.776 1.00 3.61 H new ATOM 0 HD1 TYR A 49 3.751 31.837 -11.018 1.00 4.52 H new ATOM 0 HD2 TYR A 49 0.817 30.576 -8.194 1.00 4.19 H new ATOM 0 HE1 TYR A 49 2.067 33.224 -12.148 1.00 5.05 H new ATOM 0 HE2 TYR A 49 -0.866 31.960 -9.326 1.00 4.70 H new ATOM 0 HH TYR A 49 -1.302 33.363 -10.974 1.00 5.68 H new ATOM 684 N LEU A 50 5.626 27.461 -9.073 1.00 3.50 N ATOM 685 CA LEU A 50 7.040 27.083 -9.104 1.00 3.67 C ATOM 686 C LEU A 50 7.196 25.559 -9.028 1.00 3.63 C ATOM 687 O LEU A 50 6.881 24.951 -8.005 1.00 3.79 O ATOM 688 CB LEU A 50 7.836 27.799 -7.990 1.00 4.02 C ATOM 689 CG LEU A 50 7.581 27.366 -6.533 1.00 4.66 C ATOM 690 CD1 LEU A 50 6.115 27.038 -6.283 1.00 4.84 C ATOM 691 CD2 LEU A 50 8.472 26.190 -6.161 1.00 5.40 C ATOM 0 H LEU A 50 5.012 26.765 -8.648 1.00 3.50 H new ATOM 0 HA LEU A 50 7.459 27.410 -10.056 1.00 3.67 H new ATOM 0 HB2 LEU A 50 8.898 27.665 -8.198 1.00 4.02 H new ATOM 0 HB3 LEU A 50 7.629 28.867 -8.063 1.00 4.02 H new ATOM 0 HG LEU A 50 7.834 28.211 -5.892 1.00 4.66 H new ATOM 0 HD11 LEU A 50 5.981 26.738 -5.244 1.00 4.84 H new ATOM 0 HD12 LEU A 50 5.505 27.918 -6.488 1.00 4.84 H new ATOM 0 HD13 LEU A 50 5.808 26.223 -6.938 1.00 4.84 H new ATOM 0 HD21 LEU A 50 8.278 25.899 -5.129 1.00 5.40 H new ATOM 0 HD22 LEU A 50 8.260 25.349 -6.822 1.00 5.40 H new ATOM 0 HD23 LEU A 50 9.518 26.479 -6.266 1.00 5.40 H new ATOM 703 N PRO A 51 7.644 24.906 -10.125 1.00 3.88 N ATOM 704 CA PRO A 51 7.795 23.457 -10.180 1.00 4.25 C ATOM 705 C PRO A 51 9.230 22.976 -9.954 1.00 4.32 C ATOM 706 O PRO A 51 9.571 21.848 -10.309 1.00 4.70 O ATOM 707 CB PRO A 51 7.363 23.166 -11.614 1.00 4.88 C ATOM 708 CG PRO A 51 7.804 24.365 -12.403 1.00 4.92 C ATOM 709 CD PRO A 51 8.002 25.505 -11.422 1.00 4.30 C ATOM 0 HA PRO A 51 7.225 22.952 -9.400 1.00 4.25 H new ATOM 0 HB2 PRO A 51 7.828 22.254 -11.989 1.00 4.88 H new ATOM 0 HB3 PRO A 51 6.284 23.025 -11.680 1.00 4.88 H new ATOM 0 HG2 PRO A 51 8.730 24.153 -12.938 1.00 4.92 H new ATOM 0 HG3 PRO A 51 7.057 24.628 -13.152 1.00 4.92 H new ATOM 0 HD2 PRO A 51 9.031 25.866 -11.428 1.00 4.30 H new ATOM 0 HD3 PRO A 51 7.364 26.356 -11.661 1.00 4.30 H new ATOM 717 N SER A 52 10.070 23.827 -9.371 1.00 4.18 N ATOM 718 CA SER A 52 11.463 23.461 -9.116 1.00 4.35 C ATOM 719 C SER A 52 11.836 23.671 -7.646 1.00 3.79 C ATOM 720 O SER A 52 11.275 24.542 -6.981 1.00 3.48 O ATOM 721 CB SER A 52 12.396 24.279 -10.012 1.00 4.83 C ATOM 722 OG SER A 52 13.652 23.640 -10.163 1.00 5.64 O ATOM 0 H SER A 52 9.815 24.767 -9.068 1.00 4.18 H new ATOM 0 HA SER A 52 11.577 22.402 -9.346 1.00 4.35 H new ATOM 0 HB2 SER A 52 11.936 24.418 -10.990 1.00 4.83 H new ATOM 0 HB3 SER A 52 12.539 25.271 -9.583 1.00 4.83 H new ATOM 0 HG SER A 52 14.228 24.183 -10.741 1.00 5.64 H new ATOM 728 N PRO A 53 12.799 22.882 -7.108 1.00 3.98 N ATOM 729 CA PRO A 53 13.229 23.015 -5.710 1.00 3.75 C ATOM 730 C PRO A 53 13.967 24.328 -5.465 1.00 2.89 C ATOM 731 O PRO A 53 14.483 24.940 -6.400 1.00 2.99 O ATOM 732 CB PRO A 53 14.165 21.822 -5.503 1.00 4.57 C ATOM 733 CG PRO A 53 14.669 21.492 -6.865 1.00 5.04 C ATOM 734 CD PRO A 53 13.545 21.815 -7.812 1.00 4.80 C ATOM 0 HA PRO A 53 12.385 23.025 -5.020 1.00 3.75 H new ATOM 0 HB2 PRO A 53 14.984 22.074 -4.829 1.00 4.57 H new ATOM 0 HB3 PRO A 53 13.637 20.977 -5.061 1.00 4.57 H new ATOM 0 HG2 PRO A 53 15.559 22.074 -7.103 1.00 5.04 H new ATOM 0 HG3 PRO A 53 14.947 20.440 -6.934 1.00 5.04 H new ATOM 0 HD2 PRO A 53 13.919 22.156 -8.778 1.00 4.80 H new ATOM 0 HD3 PRO A 53 12.917 20.944 -8.002 1.00 4.80 H new ATOM 742 N CYS A 54 14.005 24.767 -4.208 1.00 2.53 N ATOM 743 CA CYS A 54 14.673 26.024 -3.864 1.00 2.00 C ATOM 744 C CYS A 54 15.602 25.848 -2.661 1.00 2.22 C ATOM 745 O CYS A 54 15.863 24.726 -2.227 1.00 2.72 O ATOM 746 CB CYS A 54 13.653 27.140 -3.579 1.00 2.36 C ATOM 747 SG CYS A 54 12.077 27.012 -4.493 1.00 2.74 S ATOM 0 H CYS A 54 13.586 24.278 -3.417 1.00 2.53 H new ATOM 0 HA CYS A 54 15.273 26.314 -4.727 1.00 2.00 H new ATOM 0 HB2 CYS A 54 13.435 27.146 -2.511 1.00 2.36 H new ATOM 0 HB3 CYS A 54 14.114 28.099 -3.815 1.00 2.36 H new ATOM 752 N GLN A 55 16.091 26.968 -2.120 1.00 2.24 N ATOM 753 CA GLN A 55 16.994 26.941 -0.963 1.00 2.74 C ATOM 754 C GLN A 55 18.221 26.057 -1.215 1.00 2.26 C ATOM 755 O GLN A 55 18.287 25.339 -2.213 1.00 2.47 O ATOM 756 CB GLN A 55 16.254 26.449 0.278 1.00 3.51 C ATOM 757 CG GLN A 55 16.855 26.957 1.577 1.00 4.44 C ATOM 758 CD GLN A 55 15.955 27.948 2.287 1.00 5.23 C ATOM 759 OE1 GLN A 55 15.011 27.563 2.976 1.00 5.71 O ATOM 760 NE2 GLN A 55 16.244 29.233 2.121 1.00 5.75 N ATOM 0 H GLN A 55 15.878 27.904 -2.464 1.00 2.24 H new ATOM 0 HA GLN A 55 17.341 27.961 -0.801 1.00 2.74 H new ATOM 0 HB2 GLN A 55 15.212 26.764 0.220 1.00 3.51 H new ATOM 0 HB3 GLN A 55 16.257 25.359 0.286 1.00 3.51 H new ATOM 0 HG2 GLN A 55 17.051 26.112 2.237 1.00 4.44 H new ATOM 0 HG3 GLN A 55 17.815 27.428 1.369 1.00 4.44 H new ATOM 0 HE21 GLN A 55 17.037 29.507 1.540 1.00 5.75 H new ATOM 0 HE22 GLN A 55 15.673 29.947 2.574 1.00 5.75 H new ATOM 769 N SER A 56 19.197 26.121 -0.300 1.00 2.28 N ATOM 770 CA SER A 56 20.421 25.331 -0.432 1.00 2.07 C ATOM 771 C SER A 56 21.079 25.033 0.933 1.00 1.82 C ATOM 772 O SER A 56 20.481 25.231 1.989 1.00 2.22 O ATOM 773 CB SER A 56 21.406 26.064 -1.361 1.00 2.60 C ATOM 774 OG SER A 56 21.638 27.392 -0.920 1.00 3.12 O ATOM 0 H SER A 56 19.161 26.708 0.533 1.00 2.28 H new ATOM 0 HA SER A 56 20.153 24.368 -0.866 1.00 2.07 H new ATOM 0 HB2 SER A 56 22.350 25.520 -1.396 1.00 2.60 H new ATOM 0 HB3 SER A 56 21.009 26.080 -2.376 1.00 2.60 H new ATOM 0 HG SER A 56 22.382 27.780 -1.427 1.00 3.12 H new ATOM 780 N GLY A 57 22.339 24.606 0.861 1.00 1.58 N ATOM 781 CA GLY A 57 23.127 24.327 2.063 1.00 1.86 C ATOM 782 C GLY A 57 23.619 22.896 2.160 1.00 1.68 C ATOM 783 O GLY A 57 24.703 22.580 1.677 1.00 2.10 O ATOM 0 H GLY A 57 22.836 24.446 -0.015 1.00 1.58 H new ATOM 0 HA2 GLY A 57 23.986 24.998 2.086 1.00 1.86 H new ATOM 0 HA3 GLY A 57 22.523 24.553 2.942 1.00 1.86 H new ATOM 787 N GLN A 58 22.805 22.023 2.747 1.00 1.37 N ATOM 788 CA GLN A 58 23.121 20.627 2.863 1.00 1.46 C ATOM 789 C GLN A 58 21.952 19.966 2.221 1.00 1.08 C ATOM 790 O GLN A 58 20.876 19.956 2.808 1.00 1.00 O ATOM 791 CB GLN A 58 23.267 20.199 4.329 1.00 1.97 C ATOM 792 CG GLN A 58 24.542 20.701 4.994 1.00 2.80 C ATOM 793 CD GLN A 58 24.470 20.648 6.510 1.00 3.61 C ATOM 794 OE1 GLN A 58 24.614 19.583 7.112 1.00 3.96 O ATOM 795 NE2 GLN A 58 24.247 21.798 7.134 1.00 4.36 N ATOM 0 H GLN A 58 21.905 22.279 3.154 1.00 1.37 H new ATOM 0 HA GLN A 58 24.073 20.367 2.399 1.00 1.46 H new ATOM 0 HB2 GLN A 58 22.408 20.564 4.891 1.00 1.97 H new ATOM 0 HB3 GLN A 58 23.245 19.111 4.384 1.00 1.97 H new ATOM 0 HG2 GLN A 58 25.386 20.101 4.653 1.00 2.80 H new ATOM 0 HG3 GLN A 58 24.732 21.727 4.679 1.00 2.80 H new ATOM 0 HE21 GLN A 58 24.134 22.657 6.595 1.00 4.36 H new ATOM 0 HE22 GLN A 58 24.189 21.823 8.152 1.00 4.36 H new ATOM 804 N LYS A 59 22.112 19.469 1.015 1.00 1.17 N ATOM 805 CA LYS A 59 20.957 18.947 0.326 1.00 1.13 C ATOM 806 C LYS A 59 21.175 17.550 -0.208 1.00 0.95 C ATOM 807 O LYS A 59 20.516 16.633 0.291 1.00 0.88 O ATOM 808 CB LYS A 59 20.611 19.890 -0.850 1.00 1.54 C ATOM 809 CG LYS A 59 20.255 21.312 -0.436 1.00 1.90 C ATOM 810 CD LYS A 59 18.854 21.384 0.146 1.00 2.17 C ATOM 811 CE LYS A 59 17.927 22.225 -0.717 1.00 2.82 C ATOM 812 NZ LYS A 59 16.496 21.907 -0.463 1.00 3.55 N ATOM 0 H LYS A 59 22.995 19.416 0.508 1.00 1.17 H new ATOM 0 HA LYS A 59 20.141 18.894 1.046 1.00 1.13 H new ATOM 0 HB2 LYS A 59 21.460 19.926 -1.532 1.00 1.54 H new ATOM 0 HB3 LYS A 59 19.774 19.466 -1.405 1.00 1.54 H new ATOM 0 HG2 LYS A 59 20.975 21.670 0.300 1.00 1.90 H new ATOM 0 HG3 LYS A 59 20.327 21.973 -1.300 1.00 1.90 H new ATOM 0 HD2 LYS A 59 18.448 20.377 0.241 1.00 2.17 H new ATOM 0 HD3 LYS A 59 18.899 21.806 1.150 1.00 2.17 H new ATOM 0 HE2 LYS A 59 18.105 23.282 -0.519 1.00 2.82 H new ATOM 0 HE3 LYS A 59 18.156 22.055 -1.769 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 15.895 22.501 -1.070 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 16.320 20.904 -0.676 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 16.271 22.093 0.535 1.00 3.55 H new ATOM 826 N PRO A 60 22.026 17.310 -1.202 1.00 1.06 N ATOM 827 CA PRO A 60 22.176 15.964 -1.722 1.00 1.15 C ATOM 828 C PRO A 60 22.576 14.906 -0.694 1.00 1.10 C ATOM 829 O PRO A 60 23.672 14.886 -0.132 1.00 1.23 O ATOM 830 CB PRO A 60 23.210 16.088 -2.842 1.00 1.48 C ATOM 831 CG PRO A 60 23.873 17.406 -2.613 1.00 1.54 C ATOM 832 CD PRO A 60 22.848 18.279 -1.937 1.00 1.30 C ATOM 0 HA PRO A 60 21.210 15.597 -2.068 1.00 1.15 H new ATOM 0 HB2 PRO A 60 23.931 15.272 -2.805 1.00 1.48 H new ATOM 0 HB3 PRO A 60 22.736 16.050 -3.823 1.00 1.48 H new ATOM 0 HG2 PRO A 60 24.760 17.293 -1.990 1.00 1.54 H new ATOM 0 HG3 PRO A 60 24.200 17.847 -3.555 1.00 1.54 H new ATOM 0 HD2 PRO A 60 23.312 19.004 -1.269 1.00 1.30 H new ATOM 0 HD3 PRO A 60 22.258 18.843 -2.659 1.00 1.30 H new ATOM 840 N CYS A 61 21.623 14.016 -0.535 1.00 1.08 N ATOM 841 CA CYS A 61 21.649 12.846 0.323 1.00 1.13 C ATOM 842 C CYS A 61 20.860 11.774 -0.461 1.00 1.36 C ATOM 843 O CYS A 61 20.556 12.023 -1.637 1.00 1.54 O ATOM 844 CB CYS A 61 21.156 13.181 1.755 1.00 1.30 C ATOM 845 SG CYS A 61 19.560 12.486 2.297 1.00 1.59 S ATOM 0 H CYS A 61 20.740 14.095 -1.040 1.00 1.08 H new ATOM 0 HA CYS A 61 22.647 12.459 0.530 1.00 1.13 H new ATOM 0 HB2 CYS A 61 21.920 12.849 2.457 1.00 1.30 H new ATOM 0 HB3 CYS A 61 21.094 14.266 1.841 1.00 1.30 H new ATOM 850 N GLY A 62 20.427 10.656 0.134 1.00 1.60 N ATOM 851 CA GLY A 62 19.599 9.713 -0.626 1.00 1.92 C ATOM 852 C GLY A 62 20.128 9.380 -2.010 1.00 2.10 C ATOM 853 O GLY A 62 21.300 9.616 -2.316 1.00 2.43 O ATOM 0 H GLY A 62 20.625 10.389 1.098 1.00 1.60 H new ATOM 0 HA2 GLY A 62 19.506 8.789 -0.055 1.00 1.92 H new ATOM 0 HA3 GLY A 62 18.596 10.128 -0.725 1.00 1.92 H new ATOM 857 N SER A 63 19.270 8.783 -2.827 1.00 2.43 N ATOM 858 CA SER A 63 19.678 8.355 -4.183 1.00 2.98 C ATOM 859 C SER A 63 19.484 9.477 -5.171 1.00 2.74 C ATOM 860 O SER A 63 18.978 9.290 -6.284 1.00 3.32 O ATOM 861 CB SER A 63 18.879 7.120 -4.617 1.00 3.86 C ATOM 862 OG SER A 63 17.513 7.241 -4.255 1.00 4.11 O ATOM 0 H SER A 63 18.299 8.581 -2.591 1.00 2.43 H new ATOM 0 HA SER A 63 20.736 8.094 -4.158 1.00 2.98 H new ATOM 0 HB2 SER A 63 18.962 6.990 -5.696 1.00 3.86 H new ATOM 0 HB3 SER A 63 19.303 6.228 -4.155 1.00 3.86 H new ATOM 0 HG SER A 63 17.026 6.442 -4.545 1.00 4.11 H new ATOM 868 N GLY A 64 19.817 10.697 -4.690 1.00 2.15 N ATOM 869 CA GLY A 64 19.619 11.916 -5.448 1.00 2.11 C ATOM 870 C GLY A 64 18.699 12.968 -4.760 1.00 1.92 C ATOM 871 O GLY A 64 18.264 13.900 -5.440 1.00 2.21 O ATOM 0 H GLY A 64 20.227 10.845 -3.768 1.00 2.15 H new ATOM 0 HA2 GLY A 64 20.591 12.372 -5.637 1.00 2.11 H new ATOM 0 HA3 GLY A 64 19.193 11.660 -6.418 1.00 2.11 H new ATOM 875 N GLY A 65 18.415 12.856 -3.452 1.00 1.62 N ATOM 876 CA GLY A 65 17.545 13.870 -2.830 1.00 1.62 C ATOM 877 C GLY A 65 18.280 14.941 -2.020 1.00 1.43 C ATOM 878 O GLY A 65 19.277 14.650 -1.370 1.00 1.62 O ATOM 0 H GLY A 65 18.752 12.119 -2.833 1.00 1.62 H new ATOM 0 HA2 GLY A 65 16.966 14.361 -3.613 1.00 1.62 H new ATOM 0 HA3 GLY A 65 16.833 13.365 -2.176 1.00 1.62 H new ATOM 882 N ARG A 66 17.752 16.176 -2.031 1.00 1.17 N ATOM 883 CA ARG A 66 18.336 17.294 -1.256 1.00 1.03 C ATOM 884 C ARG A 66 17.710 17.327 0.135 1.00 0.94 C ATOM 885 O ARG A 66 16.572 16.876 0.291 1.00 1.04 O ATOM 886 CB ARG A 66 18.146 18.658 -1.942 1.00 1.10 C ATOM 887 CG ARG A 66 17.172 18.680 -3.115 1.00 1.26 C ATOM 888 CD ARG A 66 17.726 17.954 -4.332 1.00 1.41 C ATOM 889 NE ARG A 66 19.119 18.311 -4.607 1.00 1.78 N ATOM 890 CZ ARG A 66 19.525 19.527 -4.974 1.00 2.30 C ATOM 891 NH1 ARG A 66 18.656 20.524 -5.094 1.00 2.55 N ATOM 892 NH2 ARG A 66 20.810 19.748 -5.220 1.00 3.02 N ATOM 0 H ARG A 66 16.922 16.430 -2.567 1.00 1.17 H new ATOM 0 HA ARG A 66 19.409 17.117 -1.189 1.00 1.03 H new ATOM 0 HB2 ARG A 66 17.803 19.374 -1.196 1.00 1.10 H new ATOM 0 HB3 ARG A 66 19.117 19.005 -2.294 1.00 1.10 H new ATOM 0 HG2 ARG A 66 16.232 18.217 -2.814 1.00 1.26 H new ATOM 0 HG3 ARG A 66 16.948 19.713 -3.380 1.00 1.26 H new ATOM 0 HD2 ARG A 66 17.654 16.878 -4.174 1.00 1.41 H new ATOM 0 HD3 ARG A 66 17.114 18.190 -5.203 1.00 1.41 H new ATOM 0 HE ARG A 66 19.825 17.582 -4.512 1.00 1.78 H new ATOM 0 HH11 ARG A 66 17.667 20.364 -4.905 1.00 2.55 H new ATOM 0 HH12 ARG A 66 18.978 21.450 -5.375 1.00 2.55 H new ATOM 0 HH21 ARG A 66 21.485 18.989 -5.128 1.00 3.02 H new ATOM 0 HH22 ARG A 66 21.123 20.677 -5.501 1.00 3.02 H new ATOM 906 N CYS A 67 18.422 17.840 1.159 1.00 0.87 N ATOM 907 CA CYS A 67 17.875 17.879 2.455 1.00 0.87 C ATOM 908 C CYS A 67 16.819 18.964 2.505 1.00 0.88 C ATOM 909 O CYS A 67 17.161 20.149 2.505 1.00 0.93 O ATOM 910 CB CYS A 67 18.998 18.115 3.459 1.00 0.93 C ATOM 911 SG CYS A 67 18.470 18.363 5.179 1.00 1.52 S ATOM 0 H CYS A 67 19.365 18.220 1.077 1.00 0.87 H new ATOM 0 HA CYS A 67 17.395 16.934 2.712 1.00 0.87 H new ATOM 0 HB2 CYS A 67 19.677 17.263 3.425 1.00 0.93 H new ATOM 0 HB3 CYS A 67 19.567 18.989 3.142 1.00 0.93 H new ATOM 916 N ALA A 68 15.550 18.588 2.559 1.00 0.91 N ATOM 917 CA ALA A 68 14.498 19.596 2.619 1.00 0.98 C ATOM 918 C ALA A 68 14.519 20.249 3.991 1.00 0.98 C ATOM 919 O ALA A 68 14.063 21.376 4.174 1.00 1.07 O ATOM 920 CB ALA A 68 13.143 18.986 2.303 1.00 0.98 C ATOM 0 H ALA A 68 15.227 17.620 2.563 1.00 0.91 H new ATOM 0 HA ALA A 68 14.679 20.361 1.864 1.00 0.98 H new ATOM 0 HB1 ALA A 68 12.375 19.758 2.354 1.00 0.98 H new ATOM 0 HB2 ALA A 68 13.161 18.559 1.300 1.00 0.98 H new ATOM 0 HB3 ALA A 68 12.919 18.203 3.027 1.00 0.98 H new ATOM 926 N ALA A 69 14.976 19.471 4.959 1.00 0.92 N ATOM 927 CA ALA A 69 15.023 19.872 6.358 1.00 0.96 C ATOM 928 C ALA A 69 15.843 18.882 7.168 1.00 0.92 C ATOM 929 O ALA A 69 16.090 17.764 6.729 1.00 0.87 O ATOM 930 CB ALA A 69 13.639 19.949 6.919 1.00 1.00 C ATOM 0 H ALA A 69 15.330 18.529 4.794 1.00 0.92 H new ATOM 0 HA ALA A 69 15.492 20.854 6.417 1.00 0.96 H new ATOM 0 HB1 ALA A 69 13.687 20.250 7.966 1.00 1.00 H new ATOM 0 HB2 ALA A 69 13.059 20.681 6.357 1.00 1.00 H new ATOM 0 HB3 ALA A 69 13.161 18.972 6.844 1.00 1.00 H new ATOM 936 N ALA A 70 16.243 19.293 8.350 1.00 0.98 N ATOM 937 CA ALA A 70 17.041 18.438 9.245 1.00 1.00 C ATOM 938 C ALA A 70 16.357 17.088 9.518 1.00 1.04 C ATOM 939 O ALA A 70 15.220 17.045 9.988 1.00 1.24 O ATOM 940 CB ALA A 70 17.340 19.159 10.553 1.00 1.15 C ATOM 0 H ALA A 70 16.035 20.217 8.729 1.00 0.98 H new ATOM 0 HA ALA A 70 17.981 18.229 8.735 1.00 1.00 H new ATOM 0 HB1 ALA A 70 17.930 18.510 11.200 1.00 1.15 H new ATOM 0 HB2 ALA A 70 17.900 20.071 10.346 1.00 1.15 H new ATOM 0 HB3 ALA A 70 16.404 19.413 11.051 1.00 1.15 H new ATOM 946 N GLY A 71 17.073 15.990 9.189 1.00 1.15 N ATOM 947 CA GLY A 71 16.562 14.630 9.359 1.00 1.27 C ATOM 948 C GLY A 71 15.288 14.435 8.585 1.00 1.21 C ATOM 949 O GLY A 71 14.528 13.516 8.875 1.00 1.28 O ATOM 0 H GLY A 71 18.015 16.031 8.801 1.00 1.15 H new ATOM 0 HA2 GLY A 71 17.310 13.912 9.023 1.00 1.27 H new ATOM 0 HA3 GLY A 71 16.384 14.434 10.416 1.00 1.27 H new ATOM 953 N ILE A 72 15.202 15.060 7.424 1.00 1.12 N ATOM 954 CA ILE A 72 14.128 14.789 6.477 1.00 1.08 C ATOM 955 C ILE A 72 14.632 15.145 5.076 1.00 1.03 C ATOM 956 O ILE A 72 14.662 16.322 4.683 1.00 1.36 O ATOM 957 CB ILE A 72 12.811 15.496 6.830 1.00 1.52 C ATOM 958 CG1 ILE A 72 12.944 16.998 6.707 1.00 1.09 C ATOM 959 CG2 ILE A 72 12.345 15.094 8.220 1.00 2.27 C ATOM 960 CD1 ILE A 72 12.183 17.491 5.515 1.00 0.92 C ATOM 0 H ILE A 72 15.868 15.765 7.110 1.00 1.12 H new ATOM 0 HA ILE A 72 13.876 13.729 6.520 1.00 1.08 H new ATOM 0 HB ILE A 72 12.053 15.178 6.114 1.00 1.52 H new ATOM 0 HG12 ILE A 72 12.569 17.478 7.611 1.00 1.09 H new ATOM 0 HG13 ILE A 72 13.995 17.270 6.614 1.00 1.09 H new ATOM 0 HG21 ILE A 72 11.411 15.605 8.452 1.00 2.27 H new ATOM 0 HG22 ILE A 72 12.187 14.016 8.253 1.00 2.27 H new ATOM 0 HG23 ILE A 72 13.103 15.372 8.952 1.00 2.27 H new ATOM 0 HD11 ILE A 72 12.287 18.573 5.439 1.00 0.92 H new ATOM 0 HD12 ILE A 72 12.578 17.024 4.613 1.00 0.92 H new ATOM 0 HD13 ILE A 72 11.129 17.235 5.625 1.00 0.92 H new ATOM 972 N CYS A 73 15.079 14.141 4.344 1.00 0.82 N ATOM 973 CA CYS A 73 15.638 14.359 3.017 1.00 1.07 C ATOM 974 C CYS A 73 14.589 14.252 1.929 1.00 1.08 C ATOM 975 O CYS A 73 14.144 13.158 1.590 1.00 1.21 O ATOM 976 CB CYS A 73 16.734 13.342 2.758 1.00 1.19 C ATOM 977 SG CYS A 73 18.307 14.069 2.223 1.00 1.98 S ATOM 0 H CYS A 73 15.067 13.166 4.643 1.00 0.82 H new ATOM 0 HA CYS A 73 16.040 15.372 2.992 1.00 1.07 H new ATOM 0 HB2 CYS A 73 16.903 12.766 3.668 1.00 1.19 H new ATOM 0 HB3 CYS A 73 16.392 12.641 1.996 1.00 1.19 H new ATOM 982 N CYS A 74 14.205 15.390 1.372 1.00 0.98 N ATOM 983 CA CYS A 74 13.210 15.409 0.316 1.00 0.99 C ATOM 984 C CYS A 74 13.856 15.383 -1.068 1.00 1.15 C ATOM 985 O CYS A 74 14.671 16.242 -1.416 1.00 1.33 O ATOM 986 CB CYS A 74 12.308 16.634 0.457 1.00 1.13 C ATOM 987 SG CYS A 74 10.632 16.247 1.062 1.00 1.32 S ATOM 0 H CYS A 74 14.566 16.307 1.633 1.00 0.98 H new ATOM 0 HA CYS A 74 12.605 14.508 0.416 1.00 0.99 H new ATOM 0 HB2 CYS A 74 12.777 17.342 1.141 1.00 1.13 H new ATOM 0 HB3 CYS A 74 12.230 17.129 -0.511 1.00 1.13 H new ATOM 992 N SER A 75 13.463 14.389 -1.854 1.00 1.14 N ATOM 993 CA SER A 75 13.959 14.223 -3.213 1.00 1.36 C ATOM 994 C SER A 75 13.002 14.917 -4.181 1.00 1.28 C ATOM 995 O SER A 75 12.018 15.514 -3.744 1.00 1.10 O ATOM 996 CB SER A 75 14.083 12.737 -3.554 1.00 1.46 C ATOM 997 OG SER A 75 12.866 12.053 -3.309 1.00 1.99 O ATOM 0 H SER A 75 12.792 13.676 -1.567 1.00 1.14 H new ATOM 0 HA SER A 75 14.948 14.673 -3.299 1.00 1.36 H new ATOM 0 HB2 SER A 75 14.363 12.623 -4.601 1.00 1.46 H new ATOM 0 HB3 SER A 75 14.881 12.290 -2.961 1.00 1.46 H new ATOM 0 HG SER A 75 12.972 11.106 -3.537 1.00 1.99 H new ATOM 1003 N PRO A 76 13.254 14.867 -5.503 1.00 1.46 N ATOM 1004 CA PRO A 76 12.372 15.518 -6.470 1.00 1.42 C ATOM 1005 C PRO A 76 11.091 14.720 -6.684 1.00 1.18 C ATOM 1006 O PRO A 76 10.485 14.762 -7.755 1.00 1.22 O ATOM 1007 CB PRO A 76 13.211 15.545 -7.747 1.00 1.74 C ATOM 1008 CG PRO A 76 14.108 14.361 -7.630 1.00 1.86 C ATOM 1009 CD PRO A 76 14.396 14.195 -6.159 1.00 1.77 C ATOM 0 HA PRO A 76 12.048 16.506 -6.143 1.00 1.42 H new ATOM 0 HB2 PRO A 76 12.583 15.481 -8.636 1.00 1.74 H new ATOM 0 HB3 PRO A 76 13.783 16.470 -7.827 1.00 1.74 H new ATOM 0 HG2 PRO A 76 13.631 13.469 -8.036 1.00 1.86 H new ATOM 0 HG3 PRO A 76 15.029 14.514 -8.192 1.00 1.86 H new ATOM 0 HD2 PRO A 76 14.457 13.143 -5.879 1.00 1.77 H new ATOM 0 HD3 PRO A 76 15.345 14.655 -5.882 1.00 1.77 H new ATOM 1017 N ASP A 77 10.685 14.000 -5.640 1.00 0.99 N ATOM 1018 CA ASP A 77 9.472 13.191 -5.679 1.00 0.91 C ATOM 1019 C ASP A 77 8.786 13.174 -4.312 1.00 0.82 C ATOM 1020 O ASP A 77 7.566 13.309 -4.220 1.00 0.90 O ATOM 1021 CB ASP A 77 9.795 11.763 -6.124 1.00 1.16 C ATOM 1022 CG ASP A 77 9.776 11.609 -7.633 1.00 1.92 C ATOM 1023 OD1 ASP A 77 8.681 11.399 -8.195 1.00 2.65 O ATOM 1024 OD2 ASP A 77 10.858 11.699 -8.252 1.00 2.50 O ATOM 0 H ASP A 77 11.184 13.962 -4.751 1.00 0.99 H new ATOM 0 HA ASP A 77 8.790 13.638 -6.402 1.00 0.91 H new ATOM 0 HB2 ASP A 77 10.777 11.481 -5.745 1.00 1.16 H new ATOM 0 HB3 ASP A 77 9.073 11.076 -5.682 1.00 1.16 H new ATOM 1029 N GLY A 78 9.579 13.005 -3.251 1.00 0.88 N ATOM 1030 CA GLY A 78 9.024 12.972 -1.904 1.00 0.87 C ATOM 1031 C GLY A 78 10.050 13.297 -0.826 1.00 0.86 C ATOM 1032 O GLY A 78 10.902 14.164 -1.014 1.00 0.99 O ATOM 0 H GLY A 78 10.591 12.891 -3.300 1.00 0.88 H new ATOM 0 HA2 GLY A 78 8.201 13.683 -1.839 1.00 0.87 H new ATOM 0 HA3 GLY A 78 8.607 11.983 -1.714 1.00 0.87 H new ATOM 1036 N CYS A 79 9.964 12.593 0.309 1.00 0.79 N ATOM 1037 CA CYS A 79 10.887 12.804 1.429 1.00 0.80 C ATOM 1038 C CYS A 79 11.377 11.464 1.979 1.00 0.78 C ATOM 1039 O CYS A 79 10.766 10.425 1.731 1.00 0.89 O ATOM 1040 CB CYS A 79 10.215 13.614 2.534 1.00 0.94 C ATOM 1041 SG CYS A 79 10.960 15.257 2.807 1.00 1.34 S ATOM 0 H CYS A 79 9.263 11.871 0.476 1.00 0.79 H new ATOM 0 HA CYS A 79 11.746 13.365 1.062 1.00 0.80 H new ATOM 0 HB2 CYS A 79 9.161 13.741 2.288 1.00 0.94 H new ATOM 0 HB3 CYS A 79 10.259 13.047 3.464 1.00 0.94 H new ATOM 1046 N HIS A 80 12.525 11.477 2.658 1.00 0.71 N ATOM 1047 CA HIS A 80 13.123 10.246 3.170 1.00 0.76 C ATOM 1048 C HIS A 80 13.959 10.564 4.409 1.00 0.70 C ATOM 1049 O HIS A 80 14.722 11.530 4.414 1.00 0.67 O ATOM 1050 CB HIS A 80 13.976 9.591 2.078 1.00 0.87 C ATOM 1051 CG HIS A 80 14.818 8.435 2.539 1.00 0.99 C ATOM 1052 ND1 HIS A 80 14.438 7.568 3.543 1.00 1.64 N ATOM 1053 CD2 HIS A 80 16.033 8.009 2.120 1.00 1.76 C ATOM 1054 CE1 HIS A 80 15.383 6.662 3.721 1.00 2.09 C ATOM 1055 NE2 HIS A 80 16.361 6.908 2.869 1.00 2.17 N ATOM 0 H HIS A 80 13.056 12.323 2.865 1.00 0.71 H new ATOM 0 HA HIS A 80 12.340 9.543 3.454 1.00 0.76 H new ATOM 0 HB2 HIS A 80 13.317 9.246 1.281 1.00 0.87 H new ATOM 0 HB3 HIS A 80 14.630 10.348 1.646 1.00 0.87 H new ATOM 0 HD1 HIS A 80 13.564 7.619 4.066 1.00 1.64 H new ATOM 0 HD2 HIS A 80 16.633 8.454 1.340 1.00 1.76 H new ATOM 0 HE1 HIS A 80 15.359 5.857 4.441 1.00 2.09 H new ATOM 1064 N GLU A 81 13.821 9.751 5.459 1.00 0.75 N ATOM 1065 CA GLU A 81 14.583 9.971 6.686 1.00 0.77 C ATOM 1066 C GLU A 81 16.083 9.905 6.370 1.00 0.72 C ATOM 1067 O GLU A 81 16.536 9.000 5.668 1.00 0.92 O ATOM 1068 CB GLU A 81 14.129 8.962 7.782 1.00 0.94 C ATOM 1069 CG GLU A 81 15.156 7.919 8.218 1.00 1.70 C ATOM 1070 CD GLU A 81 15.004 7.520 9.675 1.00 2.35 C ATOM 1071 OE1 GLU A 81 15.390 8.320 10.553 1.00 3.05 O ATOM 1072 OE2 GLU A 81 14.501 6.407 9.937 1.00 2.71 O ATOM 0 H GLU A 81 13.197 8.945 5.483 1.00 0.75 H new ATOM 0 HA GLU A 81 14.389 10.965 7.090 1.00 0.77 H new ATOM 0 HB2 GLU A 81 13.824 9.529 8.662 1.00 0.94 H new ATOM 0 HB3 GLU A 81 13.245 8.438 7.418 1.00 0.94 H new ATOM 0 HG2 GLU A 81 15.057 7.033 7.591 1.00 1.70 H new ATOM 0 HG3 GLU A 81 16.159 8.313 8.056 1.00 1.70 H new ATOM 1079 N ASP A 82 16.837 10.882 6.855 1.00 0.76 N ATOM 1080 CA ASP A 82 18.263 10.935 6.574 1.00 0.77 C ATOM 1081 C ASP A 82 19.068 11.387 7.809 1.00 0.96 C ATOM 1082 O ASP A 82 18.693 12.350 8.476 1.00 1.21 O ATOM 1083 CB ASP A 82 18.489 11.858 5.357 1.00 0.86 C ATOM 1084 CG ASP A 82 18.481 13.343 5.696 1.00 1.34 C ATOM 1085 OD1 ASP A 82 17.387 13.947 5.697 1.00 2.02 O ATOM 1086 OD2 ASP A 82 19.569 13.897 5.957 1.00 1.82 O ATOM 0 H ASP A 82 16.488 11.642 7.440 1.00 0.76 H new ATOM 0 HA ASP A 82 18.628 9.936 6.333 1.00 0.77 H new ATOM 0 HB2 ASP A 82 19.444 11.606 4.895 1.00 0.86 H new ATOM 0 HB3 ASP A 82 17.715 11.661 4.616 1.00 0.86 H new ATOM 1091 N PRO A 83 20.180 10.687 8.140 1.00 1.15 N ATOM 1092 CA PRO A 83 21.010 11.020 9.302 1.00 1.42 C ATOM 1093 C PRO A 83 21.955 12.190 9.047 1.00 1.28 C ATOM 1094 O PRO A 83 22.554 12.727 9.978 1.00 1.40 O ATOM 1095 CB PRO A 83 21.819 9.738 9.561 1.00 1.81 C ATOM 1096 CG PRO A 83 21.354 8.735 8.550 1.00 1.93 C ATOM 1097 CD PRO A 83 20.714 9.513 7.436 1.00 1.42 C ATOM 0 HA PRO A 83 20.393 11.333 10.144 1.00 1.42 H new ATOM 0 HB2 PRO A 83 22.888 9.926 9.459 1.00 1.81 H new ATOM 0 HB3 PRO A 83 21.655 9.373 10.575 1.00 1.81 H new ATOM 0 HG2 PRO A 83 22.191 8.143 8.178 1.00 1.93 H new ATOM 0 HG3 PRO A 83 20.643 8.038 8.994 1.00 1.93 H new ATOM 0 HD2 PRO A 83 21.436 9.793 6.668 1.00 1.42 H new ATOM 0 HD3 PRO A 83 19.928 8.943 6.941 1.00 1.42 H new ATOM 1105 N ALA A 84 22.092 12.581 7.784 1.00 1.13 N ATOM 1106 CA ALA A 84 22.973 13.686 7.426 1.00 1.17 C ATOM 1107 C ALA A 84 22.488 14.994 8.047 1.00 1.20 C ATOM 1108 O ALA A 84 23.285 15.786 8.551 1.00 1.53 O ATOM 1109 CB ALA A 84 23.068 13.818 5.914 1.00 1.21 C ATOM 0 H ALA A 84 21.607 12.152 6.996 1.00 1.13 H new ATOM 0 HA ALA A 84 23.966 13.472 7.821 1.00 1.17 H new ATOM 0 HB1 ALA A 84 23.729 14.647 5.662 1.00 1.21 H new ATOM 0 HB2 ALA A 84 23.466 12.895 5.493 1.00 1.21 H new ATOM 0 HB3 ALA A 84 22.077 14.006 5.502 1.00 1.21 H new ATOM 1115 N CYS A 85 21.177 15.210 8.014 1.00 1.02 N ATOM 1116 CA CYS A 85 20.585 16.421 8.582 1.00 1.19 C ATOM 1117 C CYS A 85 20.002 16.145 9.971 1.00 1.46 C ATOM 1118 O CYS A 85 19.139 16.876 10.456 1.00 1.88 O ATOM 1119 CB CYS A 85 19.506 16.974 7.650 1.00 1.15 C ATOM 1120 SG CYS A 85 20.142 17.941 6.249 1.00 1.42 S ATOM 0 H CYS A 85 20.503 14.565 7.601 1.00 1.02 H new ATOM 0 HA CYS A 85 21.372 17.168 8.687 1.00 1.19 H new ATOM 0 HB2 CYS A 85 18.917 16.142 7.263 1.00 1.15 H new ATOM 0 HB3 CYS A 85 18.829 17.601 8.230 1.00 1.15 H new ATOM 1125 N ASP A 86 20.506 15.095 10.608 1.00 1.53 N ATOM 1126 CA ASP A 86 20.077 14.708 11.940 1.00 1.90 C ATOM 1127 C ASP A 86 21.052 15.088 13.032 1.00 1.82 C ATOM 1128 O ASP A 86 20.623 15.226 14.178 1.00 2.29 O ATOM 1129 CB ASP A 86 19.732 13.219 12.004 1.00 2.43 C ATOM 1130 CG ASP A 86 18.235 12.973 12.048 1.00 3.07 C ATOM 1131 OD1 ASP A 86 17.587 13.425 13.015 1.00 3.60 O ATOM 1132 OD2 ASP A 86 17.711 12.327 11.116 1.00 3.47 O ATOM 0 H ASP A 86 21.225 14.489 10.212 1.00 1.53 H new ATOM 0 HA ASP A 86 19.173 15.285 12.134 1.00 1.90 H new ATOM 0 HB2 ASP A 86 20.155 12.713 11.136 1.00 2.43 H new ATOM 0 HB3 ASP A 86 20.196 12.779 12.887 1.00 2.43 H new ATOM 1137 N PRO A 87 22.356 15.308 12.746 1.00 1.72 N ATOM 1138 CA PRO A 87 23.306 15.729 13.783 1.00 2.05 C ATOM 1139 C PRO A 87 22.728 16.855 14.637 1.00 2.20 C ATOM 1140 O PRO A 87 22.351 17.883 14.090 1.00 2.35 O ATOM 1141 CB PRO A 87 24.462 16.229 12.970 1.00 2.46 C ATOM 1142 CG PRO A 87 24.459 15.393 11.748 1.00 2.56 C ATOM 1143 CD PRO A 87 23.017 15.203 11.424 1.00 1.96 C ATOM 0 HA PRO A 87 23.564 14.934 14.482 1.00 2.05 H new ATOM 0 HB2 PRO A 87 24.346 17.285 12.726 1.00 2.46 H new ATOM 0 HB3 PRO A 87 25.401 16.129 13.515 1.00 2.46 H new ATOM 0 HG2 PRO A 87 24.987 15.884 10.931 1.00 2.56 H new ATOM 0 HG3 PRO A 87 24.955 14.438 11.920 1.00 2.56 H new ATOM 0 HD2 PRO A 87 22.656 15.964 10.732 1.00 1.96 H new ATOM 0 HD3 PRO A 87 22.833 14.235 10.958 1.00 1.96 H new ATOM 1151 N GLU A 88 22.619 16.565 15.955 1.00 2.56 N ATOM 1152 CA GLU A 88 21.960 17.368 17.028 1.00 3.21 C ATOM 1153 C GLU A 88 21.310 18.629 16.518 1.00 3.51 C ATOM 1154 O GLU A 88 21.627 19.753 16.923 1.00 4.11 O ATOM 1155 CB GLU A 88 22.984 17.712 18.117 1.00 3.64 C ATOM 1156 CG GLU A 88 24.315 18.198 17.569 1.00 3.54 C ATOM 1157 CD GLU A 88 25.172 18.858 18.630 1.00 4.21 C ATOM 1158 OE1 GLU A 88 25.282 18.297 19.739 1.00 4.58 O ATOM 1159 OE2 GLU A 88 25.734 19.938 18.349 1.00 4.72 O ATOM 0 H GLU A 88 23.016 15.703 16.330 1.00 2.56 H new ATOM 0 HA GLU A 88 21.160 16.751 17.437 1.00 3.21 H new ATOM 0 HB2 GLU A 88 22.566 18.480 18.767 1.00 3.64 H new ATOM 0 HB3 GLU A 88 23.155 16.830 18.735 1.00 3.64 H new ATOM 0 HG2 GLU A 88 24.858 17.355 17.140 1.00 3.54 H new ATOM 0 HG3 GLU A 88 24.135 18.906 16.760 1.00 3.54 H new ATOM 1166 N ALA A 89 20.558 18.396 15.453 1.00 3.29 N ATOM 1167 CA ALA A 89 19.962 19.437 14.657 1.00 3.88 C ATOM 1168 C ALA A 89 18.892 20.206 15.372 1.00 4.78 C ATOM 1169 O ALA A 89 18.306 21.132 14.802 1.00 5.29 O ATOM 1170 CB ALA A 89 19.452 18.855 13.335 1.00 3.48 C ATOM 0 H ALA A 89 20.346 17.456 15.118 1.00 3.29 H new ATOM 0 HA ALA A 89 20.745 20.167 14.451 1.00 3.88 H new ATOM 0 HB1 ALA A 89 19.002 19.648 12.738 1.00 3.48 H new ATOM 0 HB2 ALA A 89 20.284 18.415 12.786 1.00 3.48 H new ATOM 0 HB3 ALA A 89 18.706 18.087 13.539 1.00 3.48 H new ATOM 1176 N ALA A 90 18.640 19.843 16.613 1.00 5.12 N ATOM 1177 CA ALA A 90 17.611 20.563 17.351 1.00 6.15 C ATOM 1178 C ALA A 90 17.999 22.047 17.527 1.00 6.94 C ATOM 1179 O ALA A 90 19.145 22.363 17.837 1.00 6.98 O ATOM 1180 CB ALA A 90 17.348 19.902 18.694 1.00 6.47 C ATOM 0 H ALA A 90 19.107 19.089 17.118 1.00 5.12 H new ATOM 0 HA ALA A 90 16.688 20.525 16.773 1.00 6.15 H new ATOM 0 HB1 ALA A 90 16.576 20.457 19.228 1.00 6.47 H new ATOM 0 HB2 ALA A 90 17.014 18.877 18.536 1.00 6.47 H new ATOM 0 HB3 ALA A 90 18.265 19.898 19.283 1.00 6.47 H new ATOM 1186 N PHE A 91 17.018 22.931 17.396 1.00 7.67 N ATOM 1187 CA PHE A 91 17.246 24.352 17.617 1.00 8.56 C ATOM 1188 C PHE A 91 16.703 24.738 18.990 1.00 9.41 C ATOM 1189 O PHE A 91 15.712 25.461 19.103 1.00 9.96 O ATOM 1190 CB PHE A 91 16.604 25.196 16.516 1.00 9.02 C ATOM 1191 CG PHE A 91 17.611 25.763 15.556 1.00 9.29 C ATOM 1192 CD1 PHE A 91 18.245 26.967 15.824 1.00 9.65 C ATOM 1193 CD2 PHE A 91 17.935 25.084 14.393 1.00 9.45 C ATOM 1194 CE1 PHE A 91 19.180 27.483 14.947 1.00 10.10 C ATOM 1195 CE2 PHE A 91 18.871 25.594 13.514 1.00 9.92 C ATOM 1196 CZ PHE A 91 19.493 26.796 13.790 1.00 10.21 C ATOM 0 H PHE A 91 16.061 22.690 17.139 1.00 7.67 H new ATOM 0 HA PHE A 91 18.318 24.548 17.585 1.00 8.56 H new ATOM 0 HB2 PHE A 91 15.889 24.584 15.966 1.00 9.02 H new ATOM 0 HB3 PHE A 91 16.043 26.012 16.971 1.00 9.02 H new ATOM 0 HD1 PHE A 91 18.005 27.507 16.728 1.00 9.65 H new ATOM 0 HD2 PHE A 91 17.450 24.145 14.171 1.00 9.45 H new ATOM 0 HE1 PHE A 91 19.666 28.423 15.166 1.00 10.10 H new ATOM 0 HE2 PHE A 91 19.116 25.053 12.612 1.00 9.92 H new ATOM 0 HZ PHE A 91 20.223 27.198 13.103 1.00 10.21 H new ATOM 1206 N SER A 92 17.350 24.223 20.035 1.00 9.61 N ATOM 1207 CA SER A 92 16.929 24.483 21.407 1.00 10.49 C ATOM 1208 C SER A 92 18.122 24.469 22.358 1.00 11.25 C ATOM 1209 O SER A 92 18.254 25.420 23.155 1.00 11.48 O ATOM 1210 CB SER A 92 15.909 23.431 21.848 1.00 10.50 C ATOM 1211 OG SER A 92 14.672 24.027 22.196 1.00 10.56 O ATOM 1212 OXT SER A 92 18.913 23.503 22.298 1.00 11.77 O ATOM 0 H SER A 92 18.170 23.622 19.955 1.00 9.61 H new ATOM 0 HA SER A 92 16.472 25.472 21.440 1.00 10.49 H new ATOM 0 HB2 SER A 92 15.755 22.711 21.044 1.00 10.50 H new ATOM 0 HB3 SER A 92 16.301 22.877 22.701 1.00 10.50 H new ATOM 0 HG SER A 92 14.040 23.331 22.472 1.00 10.56 H new TER 1218 SER A 92 ATOM 1219 N ALA B 101 -6.557 2.121 16.854 1.00 10.07 N ATOM 1220 CA ALA B 101 -7.983 1.836 16.565 1.00 9.47 C ATOM 1221 C ALA B 101 -8.143 1.080 15.248 1.00 8.40 C ATOM 1222 O ALA B 101 -8.096 1.674 14.171 1.00 8.14 O ATOM 1223 CB ALA B 101 -8.786 3.134 16.530 1.00 9.68 C ATOM 0 HA ALA B 101 -8.366 1.202 17.365 1.00 9.47 H new ATOM 0 HB1 ALA B 101 -9.831 2.910 16.317 1.00 9.68 H new ATOM 0 HB2 ALA B 101 -8.712 3.634 17.496 1.00 9.68 H new ATOM 0 HB3 ALA B 101 -8.389 3.787 15.752 1.00 9.68 H new ATOM 1231 N VAL B 102 -8.414 -0.220 15.350 1.00 8.03 N ATOM 1232 CA VAL B 102 -8.675 -1.055 14.161 1.00 7.24 C ATOM 1233 C VAL B 102 -7.497 -1.089 13.198 1.00 6.03 C ATOM 1234 O VAL B 102 -7.601 -0.784 12.009 1.00 5.94 O ATOM 1235 CB VAL B 102 -9.949 -0.621 13.404 1.00 7.66 C ATOM 1236 CG1 VAL B 102 -10.332 -1.678 12.377 1.00 7.91 C ATOM 1237 CG2 VAL B 102 -11.097 -0.382 14.374 1.00 8.41 C ATOM 0 H VAL B 102 -8.460 -0.723 16.236 1.00 8.03 H new ATOM 0 HA VAL B 102 -8.829 -2.062 14.549 1.00 7.24 H new ATOM 0 HB VAL B 102 -9.742 0.315 12.885 1.00 7.66 H new ATOM 0 HG11 VAL B 102 -11.232 -1.363 11.848 1.00 7.91 H new ATOM 0 HG12 VAL B 102 -9.518 -1.804 11.664 1.00 7.91 H new ATOM 0 HG13 VAL B 102 -10.521 -2.625 12.883 1.00 7.91 H new ATOM 0 HG21 VAL B 102 -11.984 -0.077 13.819 1.00 8.41 H new ATOM 0 HG22 VAL B 102 -11.309 -1.301 14.921 1.00 8.41 H new ATOM 0 HG23 VAL B 102 -10.821 0.404 15.078 1.00 8.41 H new ATOM 1247 N LEU B 103 -6.353 -1.482 13.783 1.00 5.40 N ATOM 1248 CA LEU B 103 -5.098 -1.594 13.042 1.00 4.42 C ATOM 1249 C LEU B 103 -5.054 -2.891 12.237 1.00 4.14 C ATOM 1250 O LEU B 103 -4.616 -3.928 12.735 1.00 4.51 O ATOM 1251 CB LEU B 103 -3.880 -1.480 13.979 1.00 4.44 C ATOM 1252 CG LEU B 103 -3.009 -0.244 13.720 1.00 5.04 C ATOM 1253 CD1 LEU B 103 -2.486 -0.242 12.291 1.00 5.09 C ATOM 1254 CD2 LEU B 103 -3.797 1.029 13.997 1.00 5.87 C ATOM 0 H LEU B 103 -6.278 -1.727 14.770 1.00 5.40 H new ATOM 0 HA LEU B 103 -5.051 -0.761 12.341 1.00 4.42 H new ATOM 0 HB2 LEU B 103 -4.229 -1.456 15.011 1.00 4.44 H new ATOM 0 HB3 LEU B 103 -3.266 -2.374 13.871 1.00 4.44 H new ATOM 0 HG LEU B 103 -2.156 -0.280 14.397 1.00 5.04 H new ATOM 0 HD11 LEU B 103 -1.871 0.643 12.130 1.00 5.09 H new ATOM 0 HD12 LEU B 103 -1.886 -1.136 12.122 1.00 5.09 H new ATOM 0 HD13 LEU B 103 -3.326 -0.232 11.596 1.00 5.09 H new ATOM 0 HD21 LEU B 103 -3.165 1.897 13.808 1.00 5.87 H new ATOM 0 HD22 LEU B 103 -4.669 1.067 13.344 1.00 5.87 H new ATOM 0 HD23 LEU B 103 -4.122 1.036 15.037 1.00 5.87 H new ATOM 1266 N ASP B 104 -5.456 -2.807 10.977 1.00 4.04 N ATOM 1267 CA ASP B 104 -5.407 -3.957 10.081 1.00 4.36 C ATOM 1268 C ASP B 104 -3.991 -4.038 9.554 1.00 4.07 C ATOM 1269 O ASP B 104 -3.592 -3.301 8.663 1.00 4.12 O ATOM 1270 CB ASP B 104 -6.419 -3.844 8.940 1.00 5.06 C ATOM 1271 CG ASP B 104 -6.993 -5.194 8.550 1.00 5.80 C ATOM 1272 OD1 ASP B 104 -8.023 -5.594 9.135 1.00 6.19 O ATOM 1273 OD2 ASP B 104 -6.411 -5.854 7.664 1.00 6.27 O ATOM 0 H ASP B 104 -5.820 -1.955 10.550 1.00 4.04 H new ATOM 0 HA ASP B 104 -5.677 -4.865 10.620 1.00 4.36 H new ATOM 0 HB2 ASP B 104 -7.229 -3.179 9.239 1.00 5.06 H new ATOM 0 HB3 ASP B 104 -5.938 -3.391 8.073 1.00 5.06 H new ATOM 1278 N LEU B 105 -3.250 -4.952 10.140 1.00 4.35 N ATOM 1279 CA LEU B 105 -1.940 -5.268 9.897 1.00 4.75 C ATOM 1280 C LEU B 105 -1.776 -6.721 10.448 1.00 5.41 C ATOM 1281 O LEU B 105 -2.469 -7.660 10.059 1.00 6.19 O ATOM 1282 CB LEU B 105 -1.069 -4.191 10.570 1.00 5.45 C ATOM 1283 CG LEU B 105 0.411 -4.087 10.118 1.00 6.23 C ATOM 1284 CD1 LEU B 105 1.240 -5.257 10.616 1.00 5.95 C ATOM 1285 CD2 LEU B 105 0.530 -3.969 8.598 1.00 7.20 C ATOM 0 H LEU B 105 -3.639 -5.537 10.880 1.00 4.35 H new ATOM 0 HA LEU B 105 -1.631 -5.268 8.852 1.00 4.75 H new ATOM 0 HB2 LEU B 105 -1.541 -3.223 10.403 1.00 5.45 H new ATOM 0 HB3 LEU B 105 -1.081 -4.371 11.645 1.00 5.45 H new ATOM 0 HG LEU B 105 0.807 -3.176 10.567 1.00 6.23 H new ATOM 0 HD11 LEU B 105 2.270 -5.144 10.277 1.00 5.95 H new ATOM 0 HD12 LEU B 105 1.218 -5.281 11.706 1.00 5.95 H new ATOM 0 HD13 LEU B 105 0.829 -6.187 10.224 1.00 5.95 H new ATOM 0 HD21 LEU B 105 1.582 -3.898 8.320 1.00 7.20 H new ATOM 0 HD22 LEU B 105 0.089 -4.849 8.129 1.00 7.20 H new ATOM 0 HD23 LEU B 105 0.004 -3.076 8.260 1.00 7.20 H new ATOM 1297 N ASP B 106 -0.804 -6.821 11.289 1.00 5.41 N ATOM 1298 CA ASP B 106 -0.372 -8.031 11.919 1.00 6.32 C ATOM 1299 C ASP B 106 0.722 -7.603 12.868 1.00 6.19 C ATOM 1300 O ASP B 106 1.819 -8.159 12.921 1.00 6.37 O ATOM 1301 CB ASP B 106 0.109 -9.012 10.862 1.00 7.13 C ATOM 1302 CG ASP B 106 -0.057 -10.463 11.278 1.00 8.06 C ATOM 1303 OD1 ASP B 106 0.603 -10.882 12.253 1.00 8.55 O ATOM 1304 OD2 ASP B 106 -0.844 -11.181 10.627 1.00 8.48 O ATOM 0 H ASP B 106 -0.253 -6.012 11.576 1.00 5.41 H new ATOM 0 HA ASP B 106 -1.163 -8.549 12.462 1.00 6.32 H new ATOM 0 HB2 ASP B 106 -0.442 -8.840 9.937 1.00 7.13 H new ATOM 0 HB3 ASP B 106 1.160 -8.820 10.647 1.00 7.13 H new ATOM 1309 N VAL B 107 0.349 -6.594 13.629 1.00 6.17 N ATOM 1310 CA VAL B 107 1.166 -6.029 14.620 1.00 6.24 C ATOM 1311 C VAL B 107 0.243 -5.416 15.634 1.00 5.49 C ATOM 1312 O VAL B 107 -0.984 -5.455 15.483 1.00 5.67 O ATOM 1313 CB VAL B 107 2.223 -5.044 14.066 1.00 7.18 C ATOM 1314 CG1 VAL B 107 1.608 -3.737 13.588 1.00 7.33 C ATOM 1315 CG2 VAL B 107 3.299 -4.791 15.112 1.00 7.48 C ATOM 0 H VAL B 107 -0.565 -6.149 13.552 1.00 6.17 H new ATOM 0 HA VAL B 107 1.782 -6.798 15.086 1.00 6.24 H new ATOM 0 HB VAL B 107 2.678 -5.509 13.191 1.00 7.18 H new ATOM 0 HG11 VAL B 107 2.393 -3.082 13.209 1.00 7.33 H new ATOM 0 HG12 VAL B 107 0.891 -3.942 12.793 1.00 7.33 H new ATOM 0 HG13 VAL B 107 1.098 -3.249 14.419 1.00 7.33 H new ATOM 0 HG21 VAL B 107 4.038 -4.097 14.713 1.00 7.48 H new ATOM 0 HG22 VAL B 107 2.844 -4.363 16.005 1.00 7.48 H new ATOM 0 HG23 VAL B 107 3.786 -5.732 15.368 1.00 7.48 H new ATOM 1325 N ARG B 108 0.821 -4.788 16.615 1.00 5.08 N ATOM 1326 CA ARG B 108 0.039 -4.114 17.568 1.00 4.80 C ATOM 1327 C ARG B 108 -0.360 -2.816 16.966 1.00 4.49 C ATOM 1328 O ARG B 108 0.475 -2.132 16.373 1.00 4.98 O ATOM 1329 CB ARG B 108 0.728 -3.912 18.939 1.00 5.26 C ATOM 1330 CG ARG B 108 2.036 -4.679 19.135 1.00 6.18 C ATOM 1331 CD ARG B 108 3.139 -3.778 19.678 1.00 6.96 C ATOM 1332 NE ARG B 108 4.460 -4.400 19.569 1.00 7.64 N ATOM 1333 CZ ARG B 108 5.449 -4.219 20.447 1.00 8.36 C ATOM 1334 NH1 ARG B 108 5.279 -3.438 21.508 1.00 8.54 N ATOM 1335 NH2 ARG B 108 6.615 -4.823 20.261 1.00 9.12 N ATOM 0 H ARG B 108 1.829 -4.737 16.763 1.00 5.08 H new ATOM 0 HA ARG B 108 -0.827 -4.734 17.801 1.00 4.80 H new ATOM 0 HB2 ARG B 108 0.926 -2.849 19.074 1.00 5.26 H new ATOM 0 HB3 ARG B 108 0.032 -4.208 19.724 1.00 5.26 H new ATOM 0 HG2 ARG B 108 1.872 -5.509 19.822 1.00 6.18 H new ATOM 0 HG3 ARG B 108 2.352 -5.109 18.185 1.00 6.18 H new ATOM 0 HD2 ARG B 108 3.137 -2.834 19.133 1.00 6.96 H new ATOM 0 HD3 ARG B 108 2.934 -3.543 20.723 1.00 6.96 H new ATOM 0 HE ARG B 108 4.636 -5.011 18.771 1.00 7.64 H new ATOM 0 HH11 ARG B 108 4.386 -2.969 21.658 1.00 8.54 H new ATOM 0 HH12 ARG B 108 6.042 -3.307 22.172 1.00 8.54 H new ATOM 0 HH21 ARG B 108 6.754 -5.424 19.449 1.00 9.12 H new ATOM 0 HH22 ARG B 108 7.373 -4.687 20.930 1.00 9.12 H new ATOM 1349 N THR B 109 -1.638 -2.520 17.017 1.00 4.05 N ATOM 1350 CA THR B 109 -2.156 -1.311 16.388 1.00 4.08 C ATOM 1351 C THR B 109 -1.231 -0.093 16.554 1.00 3.18 C ATOM 1352 O THR B 109 -1.145 0.546 17.605 1.00 3.48 O ATOM 1353 CB THR B 109 -3.535 -0.988 16.967 1.00 4.98 C ATOM 1354 OG1 THR B 109 -3.439 -0.638 18.337 1.00 5.58 O ATOM 1355 CG2 THR B 109 -4.512 -2.139 16.856 1.00 5.69 C ATOM 0 H THR B 109 -2.342 -3.092 17.484 1.00 4.05 H new ATOM 0 HA THR B 109 -2.220 -1.513 15.319 1.00 4.08 H new ATOM 0 HB THR B 109 -3.908 -0.153 16.374 1.00 4.98 H new ATOM 0 HG1 THR B 109 -2.573 -0.211 18.506 1.00 5.58 H new ATOM 0 HG21 THR B 109 -5.470 -1.845 17.284 1.00 5.69 H new ATOM 0 HG22 THR B 109 -4.649 -2.400 15.807 1.00 5.69 H new ATOM 0 HG23 THR B 109 -4.122 -3.001 17.397 1.00 5.69 H new ATOM 1363 N CYS B 110 -0.562 0.175 15.443 1.00 2.52 N ATOM 1364 CA CYS B 110 0.404 1.268 15.271 1.00 1.89 C ATOM 1365 C CYS B 110 0.114 2.540 16.089 1.00 1.69 C ATOM 1366 O CYS B 110 -0.842 3.262 15.808 1.00 1.94 O ATOM 1367 CB CYS B 110 0.486 1.652 13.798 1.00 2.23 C ATOM 1368 SG CYS B 110 2.158 1.497 13.100 1.00 2.61 S ATOM 0 H CYS B 110 -0.677 -0.382 14.596 1.00 2.52 H new ATOM 0 HA CYS B 110 1.346 0.871 15.649 1.00 1.89 H new ATOM 0 HB2 CYS B 110 -0.197 1.022 13.228 1.00 2.23 H new ATOM 0 HB3 CYS B 110 0.145 2.681 13.679 1.00 2.23 H new ATOM 1373 N LEU B 111 0.981 2.810 17.080 1.00 1.46 N ATOM 1374 CA LEU B 111 0.903 4.014 17.946 1.00 1.37 C ATOM 1375 C LEU B 111 0.369 5.262 17.210 1.00 1.20 C ATOM 1376 O LEU B 111 0.807 5.560 16.099 1.00 1.18 O ATOM 1377 CB LEU B 111 2.294 4.326 18.505 1.00 1.54 C ATOM 1378 CG LEU B 111 2.487 4.033 19.992 1.00 1.90 C ATOM 1379 CD1 LEU B 111 3.913 3.577 20.262 1.00 2.47 C ATOM 1380 CD2 LEU B 111 2.154 5.263 20.823 1.00 2.26 C ATOM 0 H LEU B 111 1.764 2.198 17.310 1.00 1.46 H new ATOM 0 HA LEU B 111 0.197 3.783 18.744 1.00 1.37 H new ATOM 0 HB2 LEU B 111 3.030 3.753 17.941 1.00 1.54 H new ATOM 0 HB3 LEU B 111 2.509 5.380 18.330 1.00 1.54 H new ATOM 0 HG LEU B 111 1.808 3.230 20.278 1.00 1.90 H new ATOM 0 HD11 LEU B 111 4.034 3.372 21.326 1.00 2.47 H new ATOM 0 HD12 LEU B 111 4.119 2.671 19.692 1.00 2.47 H new ATOM 0 HD13 LEU B 111 4.609 4.361 19.962 1.00 2.47 H new ATOM 0 HD21 LEU B 111 2.297 5.038 21.880 1.00 2.26 H new ATOM 0 HD22 LEU B 111 2.810 6.085 20.536 1.00 2.26 H new ATOM 0 HD23 LEU B 111 1.117 5.549 20.650 1.00 2.26 H new ATOM 1392 N PRO B 112 -0.590 6.005 17.806 1.00 1.19 N ATOM 1393 CA PRO B 112 -1.171 7.197 17.175 1.00 1.12 C ATOM 1394 C PRO B 112 -0.487 8.522 17.527 1.00 1.03 C ATOM 1395 O PRO B 112 -0.179 8.754 18.700 1.00 1.06 O ATOM 1396 CB PRO B 112 -2.577 7.198 17.765 1.00 1.30 C ATOM 1397 CG PRO B 112 -2.398 6.679 19.157 1.00 1.47 C ATOM 1398 CD PRO B 112 -1.215 5.735 19.120 1.00 1.37 C ATOM 0 HA PRO B 112 -1.088 7.141 16.090 1.00 1.12 H new ATOM 0 HB2 PRO B 112 -3.006 8.200 17.767 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -3.250 6.564 17.188 1.00 1.30 H new ATOM 0 HG2 PRO B 112 -2.219 7.497 19.855 1.00 1.47 H new ATOM 0 HG3 PRO B 112 -3.296 6.162 19.496 1.00 1.47 H new ATOM 0 HD2 PRO B 112 -0.523 5.928 19.940 1.00 1.37 H new ATOM 0 HD3 PRO B 112 -1.530 4.695 19.207 1.00 1.37 H new ATOM 1406 N CYS B 113 -0.113 9.349 16.515 1.00 0.94 N ATOM 1407 CA CYS B 113 0.632 10.577 16.823 1.00 0.90 C ATOM 1408 C CYS B 113 0.050 11.789 16.069 1.00 0.91 C ATOM 1409 O CYS B 113 -1.101 11.731 15.608 1.00 1.00 O ATOM 1410 CB CYS B 113 2.147 10.285 16.553 1.00 0.83 C ATOM 1411 SG CYS B 113 3.023 11.167 15.194 1.00 0.87 S ATOM 0 H CYS B 113 -0.308 9.191 15.526 1.00 0.94 H new ATOM 0 HA CYS B 113 0.533 10.861 17.871 1.00 0.90 H new ATOM 0 HB2 CYS B 113 2.687 10.493 17.476 1.00 0.83 H new ATOM 0 HB3 CYS B 113 2.243 9.216 16.361 1.00 0.83 H new ATOM 1416 N GLY B 114 0.818 12.867 15.903 1.00 0.92 N ATOM 1417 CA GLY B 114 0.322 14.037 15.198 1.00 0.99 C ATOM 1418 C GLY B 114 -0.536 14.898 16.089 1.00 1.11 C ATOM 1419 O GLY B 114 -0.400 14.829 17.311 1.00 1.16 O ATOM 0 H GLY B 114 1.775 12.949 16.245 1.00 0.92 H new ATOM 0 HA2 GLY B 114 1.163 14.622 14.826 1.00 0.99 H new ATOM 0 HA3 GLY B 114 -0.256 13.721 14.329 1.00 0.99 H new ATOM 1423 N PRO B 115 -1.436 15.728 15.539 1.00 1.19 N ATOM 1424 CA PRO B 115 -2.294 16.578 16.356 1.00 1.33 C ATOM 1425 C PRO B 115 -3.276 15.818 17.222 1.00 1.40 C ATOM 1426 O PRO B 115 -4.355 15.414 16.800 1.00 1.57 O ATOM 1427 CB PRO B 115 -3.073 17.358 15.312 1.00 1.46 C ATOM 1428 CG PRO B 115 -3.182 16.312 14.303 1.00 1.39 C ATOM 1429 CD PRO B 115 -1.762 15.897 14.125 1.00 1.21 C ATOM 0 HA PRO B 115 -1.701 17.168 17.055 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -4.042 17.700 15.675 1.00 1.46 H new ATOM 0 HB3 PRO B 115 -2.538 18.238 14.954 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -3.809 15.486 14.639 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -3.617 16.685 13.375 1.00 1.39 H new ATOM 0 HD2 PRO B 115 -1.654 14.978 13.548 1.00 1.21 H new ATOM 0 HD3 PRO B 115 -1.153 16.656 13.633 1.00 1.21 H new ATOM 1437 N GLY B 116 -2.784 15.520 18.349 1.00 1.35 N ATOM 1438 CA GLY B 116 -3.490 14.737 19.312 1.00 1.48 C ATOM 1439 C GLY B 116 -3.308 13.274 19.157 1.00 1.44 C ATOM 1440 O GLY B 116 -3.749 12.522 20.034 1.00 1.70 O ATOM 0 H GLY B 116 -1.855 15.813 18.653 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -3.164 15.029 20.310 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -4.553 14.969 19.243 1.00 1.48 H new ATOM 1444 N GLY B 117 -2.594 12.828 18.124 1.00 1.29 N ATOM 1445 CA GLY B 117 -2.342 11.443 18.014 1.00 1.26 C ATOM 1446 C GLY B 117 -3.525 10.658 17.562 1.00 1.26 C ATOM 1447 O GLY B 117 -3.879 9.622 18.122 1.00 1.38 O ATOM 0 H GLY B 117 -2.201 13.409 17.384 1.00 1.29 H new ATOM 0 HA2 GLY B 117 -1.522 11.285 17.313 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -2.012 11.064 18.981 1.00 1.26 H new ATOM 1451 N LYS B 118 -4.123 11.213 16.495 1.00 1.19 N ATOM 1452 CA LYS B 118 -5.294 10.658 15.816 1.00 1.25 C ATOM 1453 C LYS B 118 -4.879 9.709 14.671 1.00 1.15 C ATOM 1454 O LYS B 118 -5.670 8.864 14.260 1.00 1.25 O ATOM 1455 CB LYS B 118 -6.202 11.775 15.266 1.00 1.30 C ATOM 1456 CG LYS B 118 -5.884 13.173 15.788 1.00 1.36 C ATOM 1457 CD LYS B 118 -5.493 14.110 14.661 1.00 1.78 C ATOM 1458 CE LYS B 118 -6.646 14.336 13.691 1.00 1.95 C ATOM 1459 NZ LYS B 118 -6.288 15.302 12.615 1.00 2.54 N ATOM 0 H LYS B 118 -3.793 12.082 16.074 1.00 1.19 H new ATOM 0 HA LYS B 118 -5.854 10.087 16.556 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -6.127 11.783 14.179 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -7.237 11.537 15.512 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -6.752 13.574 16.311 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -5.073 13.116 16.514 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -5.174 15.066 15.076 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -4.640 13.696 14.123 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -6.935 13.385 13.243 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -7.513 14.707 14.238 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -6.827 16.182 12.745 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -5.270 15.510 12.660 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -6.517 14.890 11.688 1.00 2.54 H new ATOM 1473 N GLY B 119 -3.651 9.878 14.141 1.00 1.04 N ATOM 1474 CA GLY B 119 -3.150 9.022 13.045 1.00 0.97 C ATOM 1475 C GLY B 119 -2.209 7.981 13.615 1.00 0.93 C ATOM 1476 O GLY B 119 -2.231 7.809 14.822 1.00 1.02 O ATOM 0 H GLY B 119 -2.992 10.593 14.450 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -3.983 8.537 12.537 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -2.633 9.628 12.301 1.00 0.97 H new ATOM 1480 N ARG B 120 -1.319 7.314 12.845 1.00 0.87 N ATOM 1481 CA ARG B 120 -0.392 6.350 13.444 1.00 0.87 C ATOM 1482 C ARG B 120 1.052 6.744 13.089 1.00 0.80 C ATOM 1483 O ARG B 120 1.276 7.662 12.287 1.00 0.79 O ATOM 1484 CB ARG B 120 -0.668 4.931 12.926 1.00 0.95 C ATOM 1485 CG ARG B 120 -1.954 4.320 13.454 1.00 1.16 C ATOM 1486 CD ARG B 120 -3.127 4.614 12.534 1.00 1.60 C ATOM 1487 NE ARG B 120 -4.376 4.045 13.038 1.00 1.82 N ATOM 1488 CZ ARG B 120 -5.039 4.514 14.097 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -4.579 5.562 14.772 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -6.166 3.931 14.480 1.00 2.89 N ATOM 0 H ARG B 120 -1.230 7.426 11.835 1.00 0.87 H new ATOM 0 HA ARG B 120 -0.532 6.361 14.525 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -0.709 4.954 11.837 1.00 0.95 H new ATOM 0 HB3 ARG B 120 0.167 4.287 13.199 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -1.831 3.242 13.556 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -2.163 4.712 14.449 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -3.239 5.693 12.423 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -2.920 4.211 11.543 1.00 1.60 H new ATOM 0 HE ARG B 120 -4.765 3.239 12.549 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -3.712 6.015 14.482 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -5.093 5.913 15.580 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -6.524 3.126 13.966 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -6.675 4.287 15.289 1.00 2.89 H new ATOM 1504 N CYS B 121 2.027 6.051 13.681 1.00 0.82 N ATOM 1505 CA CYS B 121 3.442 6.343 13.427 1.00 0.81 C ATOM 1506 C CYS B 121 4.075 5.272 12.541 1.00 0.85 C ATOM 1507 O CYS B 121 3.657 4.115 12.551 1.00 1.05 O ATOM 1508 CB CYS B 121 4.222 6.415 14.748 1.00 0.91 C ATOM 1509 SG CYS B 121 4.487 8.101 15.391 1.00 1.07 S ATOM 0 H CYS B 121 1.865 5.287 14.337 1.00 0.82 H new ATOM 0 HA CYS B 121 3.490 7.305 12.916 1.00 0.81 H new ATOM 0 HB2 CYS B 121 3.688 5.834 15.500 1.00 0.91 H new ATOM 0 HB3 CYS B 121 5.192 5.939 14.607 1.00 0.91 H new ATOM 1514 N PHE B 122 5.092 5.671 11.776 1.00 0.76 N ATOM 1515 CA PHE B 122 5.790 4.750 10.883 1.00 0.84 C ATOM 1516 C PHE B 122 7.288 4.737 11.182 1.00 0.95 C ATOM 1517 O PHE B 122 7.903 3.677 11.293 1.00 1.44 O ATOM 1518 CB PHE B 122 5.551 5.143 9.423 1.00 0.86 C ATOM 1519 CG PHE B 122 4.193 4.756 8.911 1.00 0.86 C ATOM 1520 CD1 PHE B 122 3.107 5.600 9.084 1.00 1.42 C ATOM 1521 CD2 PHE B 122 4.001 3.549 8.258 1.00 1.41 C ATOM 1522 CE1 PHE B 122 1.855 5.247 8.615 1.00 1.50 C ATOM 1523 CE2 PHE B 122 2.751 3.191 7.787 1.00 1.53 C ATOM 1524 CZ PHE B 122 1.678 4.040 7.965 1.00 1.15 C ATOM 0 H PHE B 122 5.449 6.626 11.758 1.00 0.76 H new ATOM 0 HA PHE B 122 5.395 3.748 11.050 1.00 0.84 H new ATOM 0 HB2 PHE B 122 5.675 6.221 9.321 1.00 0.86 H new ATOM 0 HB3 PHE B 122 6.312 4.674 8.800 1.00 0.86 H new ATOM 0 HD1 PHE B 122 3.240 6.544 9.591 1.00 1.42 H new ATOM 0 HD2 PHE B 122 4.837 2.880 8.115 1.00 1.41 H new ATOM 0 HE1 PHE B 122 1.017 5.913 8.756 1.00 1.50 H new ATOM 0 HE2 PHE B 122 2.615 2.247 7.280 1.00 1.53 H new ATOM 0 HZ PHE B 122 0.701 3.762 7.597 1.00 1.15 H new ATOM 1534 N GLY B 123 7.864 5.928 11.319 1.00 0.84 N ATOM 1535 CA GLY B 123 9.282 6.049 11.615 1.00 0.89 C ATOM 1536 C GLY B 123 9.548 7.128 12.652 1.00 0.89 C ATOM 1537 O GLY B 123 8.630 7.524 13.367 1.00 0.90 O ATOM 0 H GLY B 123 7.371 6.817 11.230 1.00 0.84 H new ATOM 0 HA2 GLY B 123 9.661 5.094 11.978 1.00 0.89 H new ATOM 0 HA3 GLY B 123 9.827 6.281 10.700 1.00 0.89 H new ATOM 1541 N PRO B 124 10.792 7.639 12.767 1.00 1.02 N ATOM 1542 CA PRO B 124 11.114 8.683 13.736 1.00 1.08 C ATOM 1543 C PRO B 124 10.641 10.053 13.261 1.00 0.96 C ATOM 1544 O PRO B 124 9.772 10.668 13.879 1.00 1.02 O ATOM 1545 CB PRO B 124 12.649 8.642 13.836 1.00 1.33 C ATOM 1546 CG PRO B 124 13.097 7.524 12.942 1.00 1.51 C ATOM 1547 CD PRO B 124 11.971 7.263 11.980 1.00 1.26 C ATOM 0 HA PRO B 124 10.622 8.518 14.695 1.00 1.08 H new ATOM 0 HB2 PRO B 124 13.085 9.590 13.522 1.00 1.33 H new ATOM 0 HB3 PRO B 124 12.968 8.470 14.864 1.00 1.33 H new ATOM 0 HG2 PRO B 124 14.007 7.797 12.408 1.00 1.51 H new ATOM 0 HG3 PRO B 124 13.324 6.631 13.524 1.00 1.51 H new ATOM 0 HD2 PRO B 124 12.063 7.862 11.074 1.00 1.26 H new ATOM 0 HD3 PRO B 124 11.936 6.219 11.669 1.00 1.26 H new ATOM 1555 N SER B 125 11.203 10.517 12.146 1.00 0.97 N ATOM 1556 CA SER B 125 10.818 11.804 11.575 1.00 0.92 C ATOM 1557 C SER B 125 9.705 11.605 10.556 1.00 0.76 C ATOM 1558 O SER B 125 9.652 12.297 9.545 1.00 0.78 O ATOM 1559 CB SER B 125 12.022 12.494 10.905 1.00 1.12 C ATOM 1560 OG SER B 125 12.671 13.372 11.810 1.00 1.25 O ATOM 0 H SER B 125 11.924 10.022 11.622 1.00 0.97 H new ATOM 0 HA SER B 125 10.462 12.444 12.383 1.00 0.92 H new ATOM 0 HB2 SER B 125 12.728 11.742 10.553 1.00 1.12 H new ATOM 0 HB3 SER B 125 11.686 13.050 10.030 1.00 1.12 H new ATOM 0 HG SER B 125 13.433 13.797 11.364 1.00 1.25 H new ATOM 1566 N ILE B 126 8.835 10.624 10.795 1.00 0.70 N ATOM 1567 CA ILE B 126 7.757 10.336 9.874 1.00 0.60 C ATOM 1568 C ILE B 126 6.517 9.790 10.590 1.00 0.57 C ATOM 1569 O ILE B 126 6.570 8.751 11.252 1.00 0.74 O ATOM 1570 CB ILE B 126 8.210 9.352 8.786 1.00 0.60 C ATOM 1571 CG1 ILE B 126 9.562 9.780 8.209 1.00 0.79 C ATOM 1572 CG2 ILE B 126 7.166 9.294 7.701 1.00 0.72 C ATOM 1573 CD1 ILE B 126 10.159 8.773 7.247 1.00 0.85 C ATOM 0 H ILE B 126 8.863 10.022 11.618 1.00 0.70 H new ATOM 0 HA ILE B 126 7.483 11.282 9.406 1.00 0.60 H new ATOM 0 HB ILE B 126 8.328 8.360 9.223 1.00 0.60 H new ATOM 0 HG12 ILE B 126 9.442 10.734 7.695 1.00 0.79 H new ATOM 0 HG13 ILE B 126 10.261 9.945 9.029 1.00 0.79 H new ATOM 0 HG21 ILE B 126 7.484 8.596 6.927 1.00 0.72 H new ATOM 0 HG22 ILE B 126 6.219 8.959 8.125 1.00 0.72 H new ATOM 0 HG23 ILE B 126 7.038 10.285 7.266 1.00 0.72 H new ATOM 0 HD11 ILE B 126 11.116 9.144 6.879 1.00 0.85 H new ATOM 0 HD12 ILE B 126 10.311 7.824 7.762 1.00 0.85 H new ATOM 0 HD13 ILE B 126 9.480 8.625 6.407 1.00 0.85 H new ATOM 1585 N CYS B 127 5.401 10.496 10.430 1.00 0.54 N ATOM 1586 CA CYS B 127 4.122 10.105 11.032 1.00 0.53 C ATOM 1587 C CYS B 127 3.012 10.377 10.023 1.00 0.53 C ATOM 1588 O CYS B 127 2.897 11.490 9.514 1.00 0.56 O ATOM 1589 CB CYS B 127 3.877 10.891 12.326 1.00 0.56 C ATOM 1590 SG CYS B 127 2.655 10.154 13.471 1.00 0.89 S ATOM 0 H CYS B 127 5.354 11.354 9.881 1.00 0.54 H new ATOM 0 HA CYS B 127 4.139 9.045 11.285 1.00 0.53 H new ATOM 0 HB2 CYS B 127 4.826 10.996 12.852 1.00 0.56 H new ATOM 0 HB3 CYS B 127 3.545 11.895 12.064 1.00 0.56 H new ATOM 1595 N CYS B 128 2.224 9.357 9.696 1.00 0.53 N ATOM 1596 CA CYS B 128 1.171 9.517 8.704 1.00 0.56 C ATOM 1597 C CYS B 128 -0.162 8.845 9.083 1.00 0.60 C ATOM 1598 O CYS B 128 -0.187 7.619 9.235 1.00 0.76 O ATOM 1599 CB CYS B 128 1.575 8.890 7.335 1.00 0.63 C ATOM 1600 SG CYS B 128 3.357 8.566 7.062 1.00 1.23 S ATOM 0 H CYS B 128 2.294 8.423 10.099 1.00 0.53 H new ATOM 0 HA CYS B 128 1.038 10.597 8.648 1.00 0.56 H new ATOM 0 HB2 CYS B 128 1.038 7.948 7.222 1.00 0.63 H new ATOM 0 HB3 CYS B 128 1.226 9.552 6.543 1.00 0.63 H new ATOM 1605 N GLY B 129 -1.304 9.593 9.187 1.00 0.60 N ATOM 1606 CA GLY B 129 -2.557 8.951 9.464 1.00 0.65 C ATOM 1607 C GLY B 129 -3.385 8.868 8.197 1.00 0.66 C ATOM 1608 O GLY B 129 -2.882 9.104 7.093 1.00 0.64 O ATOM 0 H GLY B 129 -1.349 10.607 9.081 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -2.383 7.951 9.861 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -3.100 9.508 10.228 1.00 0.65 H new ATOM 1612 N ASP B 130 -4.642 8.535 8.362 1.00 0.72 N ATOM 1613 CA ASP B 130 -5.564 8.357 7.258 1.00 0.76 C ATOM 1614 C ASP B 130 -5.855 9.616 6.491 1.00 0.77 C ATOM 1615 O ASP B 130 -5.730 9.645 5.265 1.00 0.81 O ATOM 1616 CB ASP B 130 -6.870 7.748 7.769 1.00 0.84 C ATOM 1617 CG ASP B 130 -7.688 7.110 6.662 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -8.266 7.857 5.845 1.00 2.35 O ATOM 1619 OD2 ASP B 130 -7.754 5.863 6.614 1.00 1.96 O ATOM 0 H ASP B 130 -5.063 8.377 9.278 1.00 0.72 H new ATOM 0 HA ASP B 130 -5.071 7.684 6.557 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -6.645 6.998 8.528 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -7.463 8.524 8.253 1.00 0.84 H new ATOM 1624 N GLU B 131 -6.294 10.629 7.181 1.00 0.79 N ATOM 1625 CA GLU B 131 -6.651 11.876 6.535 1.00 0.85 C ATOM 1626 C GLU B 131 -5.873 13.011 7.144 1.00 0.89 C ATOM 1627 O GLU B 131 -6.209 14.183 6.985 1.00 1.03 O ATOM 1628 CB GLU B 131 -8.150 12.187 6.786 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.907 11.224 7.711 1.00 1.02 C ATOM 1630 CD GLU B 131 -10.394 11.162 7.405 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -11.072 12.202 7.543 1.00 1.69 O ATOM 1632 OE2 GLU B 131 -10.879 10.074 7.030 1.00 1.63 O ATOM 0 H GLU B 131 -6.416 10.624 8.194 1.00 0.79 H new ATOM 0 HA GLU B 131 -6.438 11.777 5.471 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -8.224 13.190 7.205 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -8.660 12.205 5.823 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -8.479 10.226 7.617 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -8.766 11.535 8.746 1.00 1.02 H new ATOM 1639 N LEU B 132 -4.785 12.641 7.748 1.00 0.83 N ATOM 1640 CA LEU B 132 -3.903 13.548 8.372 1.00 0.89 C ATOM 1641 C LEU B 132 -2.658 13.506 7.538 1.00 0.83 C ATOM 1642 O LEU B 132 -1.893 14.469 7.475 1.00 0.91 O ATOM 1643 CB LEU B 132 -3.640 13.037 9.780 1.00 0.93 C ATOM 1644 CG LEU B 132 -3.848 14.032 10.920 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -3.816 13.305 12.256 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -2.806 15.137 10.884 1.00 1.38 C ATOM 0 H LEU B 132 -4.488 11.668 7.816 1.00 0.83 H new ATOM 0 HA LEU B 132 -4.285 14.566 8.446 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -4.286 12.177 9.956 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -2.612 12.678 9.825 1.00 0.93 H new ATOM 0 HG LEU B 132 -4.825 14.498 10.795 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -3.965 14.022 13.064 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -4.609 12.558 12.283 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -2.851 12.814 12.380 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -2.981 15.829 11.708 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -1.811 14.702 10.980 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -2.877 15.674 9.938 1.00 1.38 H new ATOM 1658 N GLY B 133 -2.540 12.400 6.803 1.00 0.72 N ATOM 1659 CA GLY B 133 -1.495 12.268 5.892 1.00 0.70 C ATOM 1660 C GLY B 133 -0.185 11.977 6.560 1.00 0.66 C ATOM 1661 O GLY B 133 -0.184 11.140 7.416 1.00 0.65 O ATOM 0 H GLY B 133 -3.175 11.603 6.849 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -1.728 11.467 5.191 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -1.407 13.185 5.310 1.00 0.70 H new ATOM 1665 N CYS B 134 0.922 12.634 6.190 1.00 0.69 N ATOM 1666 CA CYS B 134 2.217 12.332 6.828 1.00 0.68 C ATOM 1667 C CYS B 134 3.079 13.538 7.092 1.00 0.64 C ATOM 1668 O CYS B 134 3.477 14.226 6.158 1.00 0.62 O ATOM 1669 CB CYS B 134 3.050 11.395 5.961 1.00 0.72 C ATOM 1670 SG CYS B 134 4.229 10.392 6.917 1.00 1.08 S ATOM 0 H CYS B 134 0.953 13.359 5.473 1.00 0.69 H new ATOM 0 HA CYS B 134 1.939 11.881 7.781 1.00 0.68 H new ATOM 0 HB2 CYS B 134 2.383 10.732 5.409 1.00 0.72 H new ATOM 0 HB3 CYS B 134 3.597 11.983 5.224 1.00 0.72 H new ATOM 1675 N PHE B 135 3.441 13.756 8.359 1.00 0.67 N ATOM 1676 CA PHE B 135 4.336 14.826 8.671 1.00 0.66 C ATOM 1677 C PHE B 135 5.679 14.166 8.707 1.00 0.64 C ATOM 1678 O PHE B 135 6.012 13.487 9.681 1.00 0.64 O ATOM 1679 CB PHE B 135 4.022 15.450 10.038 1.00 0.70 C ATOM 1680 CG PHE B 135 2.569 15.752 10.267 1.00 0.72 C ATOM 1681 CD1 PHE B 135 1.653 14.728 10.460 1.00 0.96 C ATOM 1682 CD2 PHE B 135 2.119 17.062 10.301 1.00 1.15 C ATOM 1683 CE1 PHE B 135 0.318 15.008 10.682 1.00 1.19 C ATOM 1684 CE2 PHE B 135 0.786 17.346 10.520 1.00 1.36 C ATOM 1685 CZ PHE B 135 -0.116 16.318 10.712 1.00 1.23 C ATOM 0 H PHE B 135 3.125 13.207 9.158 1.00 0.67 H new ATOM 0 HA PHE B 135 4.267 15.639 7.948 1.00 0.66 H new ATOM 0 HB2 PHE B 135 4.367 14.773 10.820 1.00 0.70 H new ATOM 0 HB3 PHE B 135 4.592 16.373 10.141 1.00 0.70 H new ATOM 0 HD1 PHE B 135 1.987 13.701 10.436 1.00 0.96 H new ATOM 0 HD2 PHE B 135 2.820 17.871 10.154 1.00 1.15 H new ATOM 0 HE1 PHE B 135 -0.385 14.202 10.832 1.00 1.19 H new ATOM 0 HE2 PHE B 135 0.449 18.372 10.541 1.00 1.36 H new ATOM 0 HZ PHE B 135 -1.159 16.539 10.885 1.00 1.23 H new ATOM 1695 N VAL B 136 6.442 14.335 7.646 1.00 0.66 N ATOM 1696 CA VAL B 136 7.732 13.703 7.593 1.00 0.68 C ATOM 1697 C VAL B 136 8.767 14.682 8.082 1.00 0.71 C ATOM 1698 O VAL B 136 9.431 15.403 7.328 1.00 0.74 O ATOM 1699 CB VAL B 136 8.071 13.130 6.190 1.00 0.73 C ATOM 1700 CG1 VAL B 136 9.129 12.046 6.304 1.00 0.75 C ATOM 1701 CG2 VAL B 136 6.815 12.576 5.507 1.00 0.74 C ATOM 0 H VAL B 136 6.194 14.893 6.829 1.00 0.66 H new ATOM 0 HA VAL B 136 7.722 12.832 8.248 1.00 0.68 H new ATOM 0 HB VAL B 136 8.463 13.942 5.577 1.00 0.73 H new ATOM 0 HG11 VAL B 136 9.356 11.654 5.313 1.00 0.75 H new ATOM 0 HG12 VAL B 136 10.034 12.465 6.745 1.00 0.75 H new ATOM 0 HG13 VAL B 136 8.757 11.240 6.937 1.00 0.75 H new ATOM 0 HG21 VAL B 136 7.079 12.181 4.526 1.00 0.74 H new ATOM 0 HG22 VAL B 136 6.390 11.779 6.117 1.00 0.74 H new ATOM 0 HG23 VAL B 136 6.082 13.374 5.391 1.00 0.74 H new ATOM 1711 N GLY B 137 8.862 14.689 9.392 1.00 0.72 N ATOM 1712 CA GLY B 137 9.805 15.562 10.075 1.00 0.76 C ATOM 1713 C GLY B 137 9.195 16.876 10.537 1.00 0.73 C ATOM 1714 O GLY B 137 9.378 17.915 9.903 1.00 0.83 O ATOM 0 H GLY B 137 8.301 14.103 10.010 1.00 0.72 H new ATOM 0 HA2 GLY B 137 10.213 15.037 10.939 1.00 0.76 H new ATOM 0 HA3 GLY B 137 10.640 15.774 9.407 1.00 0.76 H new ATOM 1718 N THR B 138 8.485 16.824 11.657 1.00 0.69 N ATOM 1719 CA THR B 138 7.851 18.004 12.243 1.00 0.70 C ATOM 1720 C THR B 138 7.605 17.742 13.722 1.00 0.73 C ATOM 1721 O THR B 138 7.954 16.666 14.210 1.00 0.77 O ATOM 1722 CB THR B 138 6.543 18.325 11.525 1.00 0.73 C ATOM 1723 OG1 THR B 138 5.675 17.207 11.541 1.00 0.78 O ATOM 1724 CG2 THR B 138 6.746 18.730 10.081 1.00 0.77 C ATOM 0 H THR B 138 8.331 15.966 12.186 1.00 0.69 H new ATOM 0 HA THR B 138 8.507 18.867 12.130 1.00 0.70 H new ATOM 0 HB THR B 138 6.109 19.165 12.067 1.00 0.73 H new ATOM 0 HG1 THR B 138 4.767 17.501 11.762 1.00 0.78 H new ATOM 0 HG21 THR B 138 5.780 18.946 9.624 1.00 0.77 H new ATOM 0 HG22 THR B 138 7.374 19.619 10.038 1.00 0.77 H new ATOM 0 HG23 THR B 138 7.230 17.917 9.540 1.00 0.77 H new ATOM 1732 N ALA B 139 7.011 18.686 14.462 1.00 0.79 N ATOM 1733 CA ALA B 139 6.763 18.481 15.884 1.00 0.88 C ATOM 1734 C ALA B 139 5.709 17.409 16.129 1.00 0.83 C ATOM 1735 O ALA B 139 5.702 16.763 17.176 1.00 0.87 O ATOM 1736 CB ALA B 139 6.310 19.797 16.507 1.00 1.04 C ATOM 0 H ALA B 139 6.698 19.587 14.100 1.00 0.79 H new ATOM 0 HA ALA B 139 7.691 18.141 16.344 1.00 0.88 H new ATOM 0 HB1 ALA B 139 6.123 19.651 17.571 1.00 1.04 H new ATOM 0 HB2 ALA B 139 7.088 20.549 16.376 1.00 1.04 H new ATOM 0 HB3 ALA B 139 5.395 20.134 16.020 1.00 1.04 H new ATOM 1742 N GLU B 140 4.843 17.202 15.145 1.00 0.79 N ATOM 1743 CA GLU B 140 3.806 16.180 15.253 1.00 0.79 C ATOM 1744 C GLU B 140 4.439 14.795 15.344 1.00 0.73 C ATOM 1745 O GLU B 140 3.854 13.871 15.905 1.00 0.79 O ATOM 1746 CB GLU B 140 2.853 16.249 14.060 1.00 0.83 C ATOM 1747 CG GLU B 140 1.546 16.960 14.370 1.00 1.27 C ATOM 1748 CD GLU B 140 1.663 18.467 14.259 1.00 1.55 C ATOM 1749 OE1 GLU B 140 1.592 18.986 13.125 1.00 1.90 O ATOM 1750 OE2 GLU B 140 1.826 19.129 15.305 1.00 2.31 O ATOM 0 H GLU B 140 4.836 17.723 14.268 1.00 0.79 H new ATOM 0 HA GLU B 140 3.233 16.366 16.161 1.00 0.79 H new ATOM 0 HB2 GLU B 140 3.350 16.762 13.237 1.00 0.83 H new ATOM 0 HB3 GLU B 140 2.635 15.237 13.720 1.00 0.83 H new ATOM 0 HG2 GLU B 140 0.774 16.608 13.686 1.00 1.27 H new ATOM 0 HG3 GLU B 140 1.224 16.697 15.378 1.00 1.27 H new ATOM 1757 N ALA B 141 5.651 14.673 14.810 1.00 0.69 N ATOM 1758 CA ALA B 141 6.384 13.419 14.842 1.00 0.70 C ATOM 1759 C ALA B 141 7.137 13.280 16.163 1.00 0.77 C ATOM 1760 O ALA B 141 7.709 12.245 16.458 1.00 0.87 O ATOM 1761 CB ALA B 141 7.343 13.337 13.663 1.00 0.75 C ATOM 0 H ALA B 141 6.146 15.436 14.348 1.00 0.69 H new ATOM 0 HA ALA B 141 5.674 12.595 14.763 1.00 0.70 H new ATOM 0 HB1 ALA B 141 7.885 12.392 13.700 1.00 0.75 H new ATOM 0 HB2 ALA B 141 6.780 13.396 12.731 1.00 0.75 H new ATOM 0 HB3 ALA B 141 8.051 14.164 13.712 1.00 0.75 H new ATOM 1767 N LEU B 142 7.201 14.360 16.930 1.00 0.80 N ATOM 1768 CA LEU B 142 7.935 14.339 18.191 1.00 0.93 C ATOM 1769 C LEU B 142 7.501 13.186 19.096 1.00 1.06 C ATOM 1770 O LEU B 142 8.351 12.495 19.661 1.00 1.24 O ATOM 1771 CB LEU B 142 7.852 15.687 18.911 1.00 0.97 C ATOM 1772 CG LEU B 142 9.025 16.636 18.641 1.00 1.01 C ATOM 1773 CD1 LEU B 142 8.567 18.087 18.684 1.00 1.11 C ATOM 1774 CD2 LEU B 142 10.145 16.401 19.643 1.00 1.14 C ATOM 0 H LEU B 142 6.760 15.252 16.706 1.00 0.80 H new ATOM 0 HA LEU B 142 8.982 14.164 17.944 1.00 0.93 H new ATOM 0 HB2 LEU B 142 6.927 16.183 18.617 1.00 0.97 H new ATOM 0 HB3 LEU B 142 7.789 15.506 19.984 1.00 0.97 H new ATOM 0 HG LEU B 142 9.407 16.428 17.642 1.00 1.01 H new ATOM 0 HD11 LEU B 142 9.416 18.742 18.490 1.00 1.11 H new ATOM 0 HD12 LEU B 142 7.802 18.250 17.925 1.00 1.11 H new ATOM 0 HD13 LEU B 142 8.155 18.309 19.668 1.00 1.11 H new ATOM 0 HD21 LEU B 142 10.969 17.084 19.435 1.00 1.14 H new ATOM 0 HD22 LEU B 142 9.773 16.578 20.652 1.00 1.14 H new ATOM 0 HD23 LEU B 142 10.497 15.373 19.561 1.00 1.14 H new ATOM 1786 N ARG B 143 6.204 12.932 19.181 1.00 1.06 N ATOM 1787 CA ARG B 143 5.719 11.793 19.964 1.00 1.26 C ATOM 1788 C ARG B 143 6.152 10.492 19.260 1.00 1.27 C ATOM 1789 O ARG B 143 6.145 9.405 19.839 1.00 1.49 O ATOM 1790 CB ARG B 143 4.195 11.856 20.105 1.00 1.35 C ATOM 1791 CG ARG B 143 3.474 12.160 18.801 1.00 1.36 C ATOM 1792 CD ARG B 143 2.159 12.887 19.045 1.00 1.50 C ATOM 1793 NE ARG B 143 1.106 11.978 19.499 1.00 1.90 N ATOM 1794 CZ ARG B 143 0.446 12.111 20.651 1.00 2.20 C ATOM 1795 NH1 ARG B 143 0.715 13.120 21.471 1.00 2.36 N ATOM 1796 NH2 ARG B 143 -0.489 11.231 20.980 1.00 2.93 N ATOM 0 H ARG B 143 5.476 13.484 18.729 1.00 1.06 H new ATOM 0 HA ARG B 143 6.146 11.821 20.967 1.00 1.26 H new ATOM 0 HB2 ARG B 143 3.835 10.904 20.496 1.00 1.35 H new ATOM 0 HB3 ARG B 143 3.938 12.620 20.839 1.00 1.35 H new ATOM 0 HG2 ARG B 143 4.115 12.769 18.164 1.00 1.36 H new ATOM 0 HG3 ARG B 143 3.283 11.230 18.265 1.00 1.36 H new ATOM 0 HD2 ARG B 143 2.310 13.668 19.790 1.00 1.50 H new ATOM 0 HD3 ARG B 143 1.841 13.380 18.126 1.00 1.50 H new ATOM 0 HE ARG B 143 0.861 11.192 18.896 1.00 1.90 H new ATOM 0 HH11 ARG B 143 1.432 13.802 21.222 1.00 2.36 H new ATOM 0 HH12 ARG B 143 0.205 13.213 22.349 1.00 2.36 H new ATOM 0 HH21 ARG B 143 -0.702 10.455 20.353 1.00 2.93 H new ATOM 0 HH22 ARG B 143 -0.995 11.330 21.860 1.00 2.93 H new ATOM 1810 N CYS B 144 6.425 10.648 17.964 1.00 1.10 N ATOM 1811 CA CYS B 144 6.767 9.481 17.121 1.00 1.17 C ATOM 1812 C CYS B 144 7.980 8.732 17.704 1.00 1.44 C ATOM 1813 O CYS B 144 8.254 7.590 17.331 1.00 1.61 O ATOM 1814 CB CYS B 144 6.998 9.839 15.649 1.00 1.05 C ATOM 1815 SG CYS B 144 6.188 8.713 14.459 1.00 1.26 S ATOM 0 H CYS B 144 6.419 11.544 17.476 1.00 1.10 H new ATOM 0 HA CYS B 144 5.898 8.823 17.136 1.00 1.17 H new ATOM 0 HB2 CYS B 144 6.638 10.853 15.474 1.00 1.05 H new ATOM 0 HB3 CYS B 144 8.070 9.844 15.453 1.00 1.05 H new ATOM 1820 N GLN B 145 8.684 9.373 18.648 1.00 1.58 N ATOM 1821 CA GLN B 145 9.844 8.769 19.312 1.00 1.89 C ATOM 1822 C GLN B 145 9.481 7.415 19.930 1.00 2.14 C ATOM 1823 O GLN B 145 10.337 6.537 20.101 1.00 2.40 O ATOM 1824 CB GLN B 145 10.364 9.706 20.409 1.00 2.00 C ATOM 1825 CG GLN B 145 11.732 10.304 20.116 1.00 2.43 C ATOM 1826 CD GLN B 145 11.744 11.817 20.232 1.00 2.77 C ATOM 1827 OE1 GLN B 145 11.755 12.368 21.333 1.00 3.35 O ATOM 1828 NE2 GLN B 145 11.741 12.496 19.091 1.00 3.05 N ATOM 0 H GLN B 145 8.467 10.316 18.969 1.00 1.58 H new ATOM 0 HA GLN B 145 10.619 8.613 18.562 1.00 1.89 H new ATOM 0 HB2 GLN B 145 9.648 10.516 20.550 1.00 2.00 H new ATOM 0 HB3 GLN B 145 10.413 9.156 21.349 1.00 2.00 H new ATOM 0 HG2 GLN B 145 12.463 9.884 20.807 1.00 2.43 H new ATOM 0 HG3 GLN B 145 12.042 10.018 19.111 1.00 2.43 H new ATOM 0 HE21 GLN B 145 11.732 11.998 18.201 1.00 3.05 H new ATOM 0 HE22 GLN B 145 11.748 13.516 19.104 1.00 3.05 H new ATOM 1837 N GLU B 146 8.201 7.233 20.240 1.00 2.12 N ATOM 1838 CA GLU B 146 7.754 5.975 20.833 1.00 2.41 C ATOM 1839 C GLU B 146 7.517 4.934 19.744 1.00 2.40 C ATOM 1840 O GLU B 146 7.052 3.822 20.015 1.00 2.57 O ATOM 1841 CB GLU B 146 6.464 6.187 21.630 1.00 2.47 C ATOM 1842 CG GLU B 146 6.659 6.962 22.923 1.00 2.88 C ATOM 1843 CD GLU B 146 5.385 7.637 23.394 1.00 3.26 C ATOM 1844 OE1 GLU B 146 4.961 8.618 22.749 1.00 3.59 O ATOM 1845 OE2 GLU B 146 4.812 7.182 24.406 1.00 3.76 O ATOM 0 H GLU B 146 7.466 7.925 20.094 1.00 2.12 H new ATOM 0 HA GLU B 146 8.532 5.618 21.507 1.00 2.41 H new ATOM 0 HB2 GLU B 146 5.745 6.717 21.005 1.00 2.47 H new ATOM 0 HB3 GLU B 146 6.028 5.215 21.863 1.00 2.47 H new ATOM 0 HG2 GLU B 146 7.015 6.284 23.699 1.00 2.88 H new ATOM 0 HG3 GLU B 146 7.433 7.715 22.778 1.00 2.88 H new ATOM 1852 N GLU B 147 7.912 5.275 18.521 1.00 2.27 N ATOM 1853 CA GLU B 147 7.800 4.354 17.408 1.00 2.36 C ATOM 1854 C GLU B 147 8.955 3.356 17.458 1.00 2.40 C ATOM 1855 O GLU B 147 9.069 2.478 16.602 1.00 2.48 O ATOM 1856 CB GLU B 147 7.821 5.120 16.084 1.00 2.40 C ATOM 1857 CG GLU B 147 7.163 4.376 14.935 1.00 2.97 C ATOM 1858 CD GLU B 147 8.168 3.669 14.049 1.00 3.47 C ATOM 1859 OE1 GLU B 147 9.265 4.225 13.832 1.00 4.01 O ATOM 1860 OE2 GLU B 147 7.859 2.557 13.570 1.00 3.71 O ATOM 0 H GLU B 147 8.311 6.183 18.281 1.00 2.27 H new ATOM 0 HA GLU B 147 6.855 3.815 17.480 1.00 2.36 H new ATOM 0 HB2 GLU B 147 7.317 6.077 16.221 1.00 2.40 H new ATOM 0 HB3 GLU B 147 8.855 5.339 15.818 1.00 2.40 H new ATOM 0 HG2 GLU B 147 6.459 3.646 15.335 1.00 2.97 H new ATOM 0 HG3 GLU B 147 6.586 5.079 14.335 1.00 2.97 H new ATOM 1867 N ASN B 148 9.804 3.486 18.485 1.00 2.59 N ATOM 1868 CA ASN B 148 10.926 2.582 18.656 1.00 3.03 C ATOM 1869 C ASN B 148 10.430 1.192 19.051 1.00 3.37 C ATOM 1870 O ASN B 148 11.074 0.188 18.747 1.00 3.85 O ATOM 1871 CB ASN B 148 11.882 3.117 19.726 1.00 3.19 C ATOM 1872 CG ASN B 148 12.772 4.230 19.209 1.00 3.48 C ATOM 1873 OD1 ASN B 148 13.343 4.130 18.124 1.00 3.92 O ATOM 1874 ND2 ASN B 148 12.893 5.300 19.986 1.00 3.79 N ATOM 0 H ASN B 148 9.728 4.208 19.202 1.00 2.59 H new ATOM 0 HA ASN B 148 11.461 2.511 17.709 1.00 3.03 H new ATOM 0 HB2 ASN B 148 11.304 3.484 20.574 1.00 3.19 H new ATOM 0 HB3 ASN B 148 12.504 2.301 20.093 1.00 3.19 H new ATOM 0 HD21 ASN B 148 13.478 6.082 19.690 1.00 3.79 H new ATOM 0 HD22 ASN B 148 12.401 5.340 20.879 1.00 3.79 H new ATOM 1881 N TYR B 149 9.286 1.135 19.743 1.00 3.23 N ATOM 1882 CA TYR B 149 8.736 -0.149 20.179 1.00 3.61 C ATOM 1883 C TYR B 149 8.145 -0.953 19.014 1.00 3.72 C ATOM 1884 O TYR B 149 7.603 -2.039 19.220 1.00 4.14 O ATOM 1885 CB TYR B 149 7.663 0.072 21.250 1.00 3.69 C ATOM 1886 CG TYR B 149 8.159 -0.149 22.664 1.00 4.04 C ATOM 1887 CD1 TYR B 149 8.264 -1.431 23.193 1.00 4.59 C ATOM 1888 CD2 TYR B 149 8.520 0.924 23.470 1.00 4.26 C ATOM 1889 CE1 TYR B 149 8.715 -1.636 24.484 1.00 5.11 C ATOM 1890 CE2 TYR B 149 8.971 0.727 24.762 1.00 4.76 C ATOM 1891 CZ TYR B 149 9.066 -0.554 25.264 1.00 5.09 C ATOM 1892 OH TYR B 149 9.514 -0.753 26.549 1.00 5.73 O ATOM 0 H TYR B 149 8.733 1.950 20.009 1.00 3.23 H new ATOM 0 HA TYR B 149 9.561 -0.727 20.595 1.00 3.61 H new ATOM 0 HB2 TYR B 149 7.280 1.089 21.164 1.00 3.69 H new ATOM 0 HB3 TYR B 149 6.827 -0.601 21.058 1.00 3.69 H new ATOM 0 HD1 TYR B 149 7.989 -2.280 22.585 1.00 4.59 H new ATOM 0 HD2 TYR B 149 8.447 1.929 23.081 1.00 4.26 H new ATOM 0 HE1 TYR B 149 8.792 -2.638 24.879 1.00 5.11 H new ATOM 0 HE2 TYR B 149 9.248 1.572 25.375 1.00 4.76 H new ATOM 0 HH TYR B 149 9.720 0.112 26.961 1.00 5.73 H new ATOM 1902 N LEU B 150 8.278 -0.437 17.793 1.00 3.60 N ATOM 1903 CA LEU B 150 7.776 -1.137 16.609 1.00 3.76 C ATOM 1904 C LEU B 150 8.518 -0.669 15.350 1.00 3.71 C ATOM 1905 O LEU B 150 8.380 0.482 14.937 1.00 3.86 O ATOM 1906 CB LEU B 150 6.248 -0.977 16.469 1.00 4.10 C ATOM 1907 CG LEU B 150 5.702 0.412 16.083 1.00 4.74 C ATOM 1908 CD1 LEU B 150 6.493 1.538 16.735 1.00 4.91 C ATOM 1909 CD2 LEU B 150 5.672 0.575 14.571 1.00 5.46 C ATOM 0 H LEU B 150 8.726 0.458 17.597 1.00 3.60 H new ATOM 0 HA LEU B 150 7.973 -2.202 16.732 1.00 3.76 H new ATOM 0 HB2 LEU B 150 5.904 -1.692 15.721 1.00 4.10 H new ATOM 0 HB3 LEU B 150 5.793 -1.264 17.417 1.00 4.10 H new ATOM 0 HG LEU B 150 4.681 0.477 16.460 1.00 4.74 H new ATOM 0 HD11 LEU B 150 6.073 2.498 16.435 1.00 4.91 H new ATOM 0 HD12 LEU B 150 6.438 1.441 17.819 1.00 4.91 H new ATOM 0 HD13 LEU B 150 7.534 1.482 16.418 1.00 4.91 H new ATOM 0 HD21 LEU B 150 5.284 1.562 14.319 1.00 5.46 H new ATOM 0 HD22 LEU B 150 6.682 0.470 14.174 1.00 5.46 H new ATOM 0 HD23 LEU B 150 5.029 -0.190 14.135 1.00 5.46 H new ATOM 1921 N PRO B 151 9.354 -1.540 14.738 1.00 3.97 N ATOM 1922 CA PRO B 151 10.137 -1.194 13.559 1.00 4.33 C ATOM 1923 C PRO B 151 9.521 -1.677 12.244 1.00 4.40 C ATOM 1924 O PRO B 151 10.213 -1.769 11.230 1.00 4.80 O ATOM 1925 CB PRO B 151 11.438 -1.940 13.835 1.00 4.97 C ATOM 1926 CG PRO B 151 11.025 -3.179 14.576 1.00 5.02 C ATOM 1927 CD PRO B 151 9.649 -2.921 15.158 1.00 4.41 C ATOM 0 HA PRO B 151 10.227 -0.116 13.424 1.00 4.33 H new ATOM 0 HB2 PRO B 151 11.955 -2.188 12.908 1.00 4.97 H new ATOM 0 HB3 PRO B 151 12.122 -1.334 14.429 1.00 4.97 H new ATOM 0 HG2 PRO B 151 11.003 -4.038 13.905 1.00 5.02 H new ATOM 0 HG3 PRO B 151 11.739 -3.410 15.367 1.00 5.02 H new ATOM 0 HD2 PRO B 151 8.911 -3.625 14.772 1.00 4.41 H new ATOM 0 HD3 PRO B 151 9.647 -3.020 16.243 1.00 4.41 H new ATOM 1935 N SER B 152 8.229 -1.987 12.258 1.00 4.26 N ATOM 1936 CA SER B 152 7.551 -2.463 11.052 1.00 4.43 C ATOM 1937 C SER B 152 6.302 -1.628 10.747 1.00 3.85 C ATOM 1938 O SER B 152 5.676 -1.092 11.661 1.00 3.52 O ATOM 1939 CB SER B 152 7.166 -3.935 11.209 1.00 4.91 C ATOM 1940 OG SER B 152 6.973 -4.551 9.946 1.00 5.73 O ATOM 0 H SER B 152 7.632 -1.919 13.082 1.00 4.26 H new ATOM 0 HA SER B 152 8.243 -2.357 10.217 1.00 4.43 H new ATOM 0 HB2 SER B 152 7.947 -4.461 11.758 1.00 4.91 H new ATOM 0 HB3 SER B 152 6.253 -4.014 11.799 1.00 4.91 H new ATOM 0 HG SER B 152 6.729 -5.492 10.075 1.00 5.73 H new ATOM 1946 N PRO B 153 5.910 -1.509 9.455 1.00 4.04 N ATOM 1947 CA PRO B 153 4.723 -0.735 9.067 1.00 3.79 C ATOM 1948 C PRO B 153 3.433 -1.398 9.544 1.00 2.92 C ATOM 1949 O PRO B 153 3.410 -2.598 9.819 1.00 3.04 O ATOM 1950 CB PRO B 153 4.786 -0.717 7.537 1.00 4.60 C ATOM 1951 CG PRO B 153 5.577 -1.926 7.174 1.00 5.10 C ATOM 1952 CD PRO B 153 6.578 -2.114 8.281 1.00 4.86 C ATOM 0 HA PRO B 153 4.719 0.261 9.510 1.00 3.79 H new ATOM 0 HB2 PRO B 153 3.788 -0.751 7.100 1.00 4.60 H new ATOM 0 HB3 PRO B 153 5.263 0.192 7.171 1.00 4.60 H new ATOM 0 HG2 PRO B 153 4.932 -2.800 7.078 1.00 5.10 H new ATOM 0 HG3 PRO B 153 6.077 -1.792 6.215 1.00 5.10 H new ATOM 0 HD2 PRO B 153 6.802 -3.168 8.445 1.00 4.86 H new ATOM 0 HD3 PRO B 153 7.523 -1.619 8.057 1.00 4.86 H new ATOM 1960 N CYS B 154 2.364 -0.614 9.658 1.00 2.52 N ATOM 1961 CA CYS B 154 1.080 -1.146 10.123 1.00 1.97 C ATOM 1962 C CYS B 154 -0.066 -0.689 9.219 1.00 2.15 C ATOM 1963 O CYS B 154 0.162 -0.119 8.152 1.00 2.65 O ATOM 1964 CB CYS B 154 0.794 -0.717 11.574 1.00 2.30 C ATOM 1965 SG CYS B 154 2.268 -0.470 12.627 1.00 2.68 S ATOM 0 H CYS B 154 2.357 0.382 9.438 1.00 2.52 H new ATOM 0 HA CYS B 154 1.148 -2.233 10.084 1.00 1.97 H new ATOM 0 HB2 CYS B 154 0.224 0.212 11.554 1.00 2.30 H new ATOM 0 HB3 CYS B 154 0.159 -1.471 12.039 1.00 2.30 H new ATOM 1970 N GLN B 155 -1.303 -0.948 9.654 1.00 2.16 N ATOM 1971 CA GLN B 155 -2.491 -0.561 8.881 1.00 2.64 C ATOM 1972 C GLN B 155 -2.462 -1.149 7.468 1.00 2.19 C ATOM 1973 O GLN B 155 -1.450 -1.698 7.036 1.00 2.43 O ATOM 1974 CB GLN B 155 -2.611 0.962 8.805 1.00 3.40 C ATOM 1975 CG GLN B 155 -4.038 1.445 8.601 1.00 4.33 C ATOM 1976 CD GLN B 155 -4.588 2.169 9.815 1.00 5.12 C ATOM 1977 OE1 GLN B 155 -4.315 3.351 10.024 1.00 5.61 O ATOM 1978 NE2 GLN B 155 -5.367 1.461 10.625 1.00 5.63 N ATOM 0 H GLN B 155 -1.509 -1.422 10.533 1.00 2.16 H new ATOM 0 HA GLN B 155 -3.360 -0.965 9.399 1.00 2.64 H new ATOM 0 HB2 GLN B 155 -2.216 1.397 9.723 1.00 3.40 H new ATOM 0 HB3 GLN B 155 -1.991 1.328 7.987 1.00 3.40 H new ATOM 0 HG2 GLN B 155 -4.072 2.111 7.739 1.00 4.33 H new ATOM 0 HG3 GLN B 155 -4.677 0.592 8.371 1.00 4.33 H new ATOM 0 HE21 GLN B 155 -5.568 0.483 10.414 1.00 5.63 H new ATOM 0 HE22 GLN B 155 -5.765 1.895 11.458 1.00 5.63 H new ATOM 1987 N SER B 156 -3.592 -1.048 6.757 1.00 2.21 N ATOM 1988 CA SER B 156 -3.692 -1.592 5.400 1.00 2.03 C ATOM 1989 C SER B 156 -4.708 -0.823 4.541 1.00 1.77 C ATOM 1990 O SER B 156 -5.139 0.275 4.903 1.00 2.17 O ATOM 1991 CB SER B 156 -4.051 -3.079 5.463 1.00 2.58 C ATOM 1992 OG SER B 156 -5.204 -3.296 6.256 1.00 3.11 O ATOM 0 H SER B 156 -4.442 -0.598 7.096 1.00 2.21 H new ATOM 0 HA SER B 156 -2.720 -1.475 4.921 1.00 2.03 H new ATOM 0 HB2 SER B 156 -4.224 -3.457 4.455 1.00 2.58 H new ATOM 0 HB3 SER B 156 -3.213 -3.641 5.875 1.00 2.58 H new ATOM 0 HG SER B 156 -5.319 -4.257 6.410 1.00 3.11 H new ATOM 1998 N GLY B 157 -5.133 -1.435 3.428 1.00 1.55 N ATOM 1999 CA GLY B 157 -6.120 -0.808 2.563 1.00 1.82 C ATOM 2000 C GLY B 157 -5.619 -0.582 1.143 1.00 1.65 C ATOM 2001 O GLY B 157 -5.708 -1.469 0.292 1.00 2.07 O ATOM 0 H GLY B 157 -4.810 -2.350 3.115 1.00 1.55 H new ATOM 0 HA2 GLY B 157 -7.013 -1.432 2.531 1.00 1.82 H new ATOM 0 HA3 GLY B 157 -6.415 0.149 2.994 1.00 1.82 H new ATOM 2005 N GLN B 158 -5.060 0.604 0.899 1.00 1.33 N ATOM 2006 CA GLN B 158 -4.507 0.955 -0.383 1.00 1.42 C ATOM 2007 C GLN B 158 -3.097 1.359 -0.105 1.00 1.04 C ATOM 2008 O GLN B 158 -2.864 2.482 0.296 1.00 0.95 O ATOM 2009 CB GLN B 158 -5.275 2.116 -1.021 1.00 1.93 C ATOM 2010 CG GLN B 158 -6.646 1.733 -1.551 1.00 2.76 C ATOM 2011 CD GLN B 158 -7.537 2.940 -1.777 1.00 3.57 C ATOM 2012 OE1 GLN B 158 -7.385 3.662 -2.762 1.00 3.89 O ATOM 2013 NE2 GLN B 158 -8.473 3.165 -0.862 1.00 4.34 N ATOM 0 H GLN B 158 -4.984 1.343 1.598 1.00 1.33 H new ATOM 0 HA GLN B 158 -4.569 0.122 -1.083 1.00 1.42 H new ATOM 0 HB2 GLN B 158 -5.391 2.910 -0.284 1.00 1.93 H new ATOM 0 HB3 GLN B 158 -4.682 2.525 -1.839 1.00 1.93 H new ATOM 0 HG2 GLN B 158 -6.531 1.189 -2.489 1.00 2.76 H new ATOM 0 HG3 GLN B 158 -7.129 1.055 -0.847 1.00 2.76 H new ATOM 0 HE21 GLN B 158 -8.564 2.540 -0.061 1.00 4.34 H new ATOM 0 HE22 GLN B 158 -9.101 3.962 -0.961 1.00 4.34 H new ATOM 2022 N LYS B 159 -2.196 0.412 -0.142 1.00 1.15 N ATOM 2023 CA LYS B 159 -0.820 0.677 0.206 1.00 1.13 C ATOM 2024 C LYS B 159 0.174 0.747 -0.960 1.00 0.95 C ATOM 2025 O LYS B 159 0.710 1.805 -1.285 1.00 0.91 O ATOM 2026 CB LYS B 159 -0.397 -0.295 1.285 1.00 1.54 C ATOM 2027 CG LYS B 159 -1.284 -0.211 2.516 1.00 1.91 C ATOM 2028 CD LYS B 159 -0.979 1.027 3.344 1.00 2.18 C ATOM 2029 CE LYS B 159 -0.443 0.652 4.716 1.00 2.81 C ATOM 2030 NZ LYS B 159 0.327 1.764 5.337 1.00 3.54 N ATOM 0 H LYS B 159 -2.389 -0.553 -0.410 1.00 1.15 H new ATOM 0 HA LYS B 159 -0.787 1.699 0.583 1.00 1.13 H new ATOM 0 HB2 LYS B 159 -0.425 -1.310 0.888 1.00 1.54 H new ATOM 0 HB3 LYS B 159 0.636 -0.092 1.569 1.00 1.54 H new ATOM 0 HG2 LYS B 159 -2.330 -0.196 2.211 1.00 1.91 H new ATOM 0 HG3 LYS B 159 -1.143 -1.102 3.128 1.00 1.91 H new ATOM 0 HD2 LYS B 159 -0.249 1.646 2.822 1.00 2.18 H new ATOM 0 HD3 LYS B 159 -1.883 1.625 3.455 1.00 2.18 H new ATOM 0 HE2 LYS B 159 -1.273 0.378 5.367 1.00 2.81 H new ATOM 0 HE3 LYS B 159 0.196 -0.227 4.628 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 0.674 1.466 6.271 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 1.134 2.009 4.729 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 -0.289 2.595 5.445 1.00 3.54 H new ATOM 2044 N PRO B 160 0.524 -0.413 -1.557 1.00 1.05 N ATOM 2045 CA PRO B 160 1.543 -0.445 -2.588 1.00 1.14 C ATOM 2046 C PRO B 160 1.296 0.440 -3.797 1.00 1.10 C ATOM 2047 O PRO B 160 0.388 0.246 -4.605 1.00 1.23 O ATOM 2048 CB PRO B 160 1.661 -1.923 -2.982 1.00 1.46 C ATOM 2049 CG PRO B 160 0.431 -2.568 -2.444 1.00 1.51 C ATOM 2050 CD PRO B 160 0.048 -1.772 -1.227 1.00 1.27 C ATOM 0 HA PRO B 160 2.466 -0.025 -2.188 1.00 1.14 H new ATOM 0 HB2 PRO B 160 1.726 -2.039 -4.064 1.00 1.46 H new ATOM 0 HB3 PRO B 160 2.559 -2.373 -2.559 1.00 1.46 H new ATOM 0 HG2 PRO B 160 -0.370 -2.561 -3.184 1.00 1.51 H new ATOM 0 HG3 PRO B 160 0.617 -3.611 -2.186 1.00 1.51 H new ATOM 0 HD2 PRO B 160 -1.028 -1.792 -1.054 1.00 1.27 H new ATOM 0 HD3 PRO B 160 0.523 -2.159 -0.326 1.00 1.27 H new ATOM 2058 N CYS B 161 2.201 1.387 -3.877 1.00 1.09 N ATOM 2059 CA CYS B 161 2.322 2.392 -4.914 1.00 1.15 C ATOM 2060 C CYS B 161 3.844 2.611 -5.060 1.00 1.37 C ATOM 2061 O CYS B 161 4.609 1.837 -4.468 1.00 1.58 O ATOM 2062 CB CYS B 161 1.473 3.648 -4.570 1.00 1.32 C ATOM 2063 SG CYS B 161 2.357 5.189 -4.145 1.00 1.58 S ATOM 0 H CYS B 161 2.927 1.485 -3.167 1.00 1.09 H new ATOM 0 HA CYS B 161 1.914 2.098 -5.881 1.00 1.15 H new ATOM 0 HB2 CYS B 161 0.826 3.858 -5.422 1.00 1.32 H new ATOM 0 HB3 CYS B 161 0.824 3.393 -3.732 1.00 1.32 H new ATOM 2068 N GLY B 162 4.319 3.636 -5.775 1.00 1.57 N ATOM 2069 CA GLY B 162 5.766 3.849 -5.842 1.00 1.88 C ATOM 2070 C GLY B 162 6.558 2.598 -6.208 1.00 2.05 C ATOM 2071 O GLY B 162 6.006 1.622 -6.704 1.00 2.37 O ATOM 0 H GLY B 162 3.750 4.305 -6.295 1.00 1.57 H new ATOM 0 HA2 GLY B 162 5.975 4.627 -6.576 1.00 1.88 H new ATOM 0 HA3 GLY B 162 6.114 4.218 -4.877 1.00 1.88 H new ATOM 2075 N SER B 163 7.858 2.665 -5.994 1.00 2.40 N ATOM 2076 CA SER B 163 8.789 1.561 -6.327 1.00 2.93 C ATOM 2077 C SER B 163 8.912 0.587 -5.170 1.00 2.71 C ATOM 2078 O SER B 163 9.982 0.084 -4.843 1.00 3.29 O ATOM 2079 CB SER B 163 10.171 2.108 -6.688 1.00 3.81 C ATOM 2080 OG SER B 163 10.580 3.108 -5.772 1.00 4.07 O ATOM 0 H SER B 163 8.316 3.479 -5.585 1.00 2.40 H new ATOM 0 HA SER B 163 8.380 1.033 -7.188 1.00 2.93 H new ATOM 0 HB2 SER B 163 10.897 1.295 -6.692 1.00 3.81 H new ATOM 0 HB3 SER B 163 10.150 2.521 -7.696 1.00 3.81 H new ATOM 0 HG SER B 163 11.467 3.440 -6.024 1.00 4.07 H new ATOM 2086 N GLY B 164 7.748 0.351 -4.548 1.00 2.12 N ATOM 2087 CA GLY B 164 7.585 -0.515 -3.405 1.00 2.11 C ATOM 2088 C GLY B 164 6.958 0.165 -2.153 1.00 1.92 C ATOM 2089 O GLY B 164 7.067 -0.420 -1.070 1.00 2.20 O ATOM 0 H GLY B 164 6.873 0.780 -4.849 1.00 2.12 H new ATOM 0 HA2 GLY B 164 6.959 -1.360 -3.693 1.00 2.11 H new ATOM 0 HA3 GLY B 164 8.560 -0.919 -3.131 1.00 2.11 H new ATOM 2093 N GLY B 165 6.382 1.364 -2.244 1.00 1.61 N ATOM 2094 CA GLY B 165 5.859 1.987 -1.018 1.00 1.60 C ATOM 2095 C GLY B 165 4.352 1.854 -0.818 1.00 1.42 C ATOM 2096 O GLY B 165 3.590 1.881 -1.775 1.00 1.62 O ATOM 0 H GLY B 165 6.267 1.903 -3.102 1.00 1.61 H new ATOM 0 HA2 GLY B 165 6.364 1.544 -0.160 1.00 1.60 H new ATOM 0 HA3 GLY B 165 6.117 3.046 -1.028 1.00 1.60 H new ATOM 2100 N ARG B 166 3.931 1.734 0.454 1.00 1.16 N ATOM 2101 CA ARG B 166 2.500 1.627 0.807 1.00 1.03 C ATOM 2102 C ARG B 166 1.929 3.023 1.024 1.00 0.95 C ATOM 2103 O ARG B 166 2.681 3.930 1.390 1.00 1.04 O ATOM 2104 CB ARG B 166 2.260 0.771 2.062 1.00 1.08 C ATOM 2105 CG ARG B 166 3.499 0.420 2.880 1.00 1.23 C ATOM 2106 CD ARG B 166 4.396 -0.578 2.162 1.00 1.39 C ATOM 2107 NE ARG B 166 3.642 -1.692 1.585 1.00 1.79 N ATOM 2108 CZ ARG B 166 2.970 -2.597 2.299 1.00 2.31 C ATOM 2109 NH1 ARG B 166 2.931 -2.522 3.624 1.00 2.54 N ATOM 2110 NH2 ARG B 166 2.332 -3.582 1.680 1.00 3.05 N ATOM 0 H ARG B 166 4.560 1.708 1.256 1.00 1.16 H new ATOM 0 HA ARG B 166 1.996 1.130 -0.022 1.00 1.03 H new ATOM 0 HB2 ARG B 166 1.560 1.299 2.709 1.00 1.08 H new ATOM 0 HB3 ARG B 166 1.775 -0.157 1.757 1.00 1.08 H new ATOM 0 HG2 ARG B 166 4.064 1.328 3.090 1.00 1.23 H new ATOM 0 HG3 ARG B 166 3.193 0.006 3.841 1.00 1.23 H new ATOM 0 HD2 ARG B 166 4.944 -0.066 1.371 1.00 1.39 H new ATOM 0 HD3 ARG B 166 5.135 -0.967 2.862 1.00 1.39 H new ATOM 0 HE ARG B 166 3.629 -1.783 0.569 1.00 1.79 H new ATOM 0 HH11 ARG B 166 3.418 -1.767 4.107 1.00 2.54 H new ATOM 0 HH12 ARG B 166 2.414 -3.220 4.159 1.00 2.54 H new ATOM 0 HH21 ARG B 166 2.356 -3.645 0.662 1.00 3.05 H new ATOM 0 HH22 ARG B 166 1.817 -4.276 2.222 1.00 3.05 H new ATOM 2124 N CYS B 167 0.615 3.233 0.797 1.00 0.87 N ATOM 2125 CA CYS B 167 0.059 4.512 0.979 1.00 0.88 C ATOM 2126 C CYS B 167 -0.049 4.786 2.459 1.00 0.88 C ATOM 2127 O CYS B 167 -0.901 4.200 3.133 1.00 0.93 O ATOM 2128 CB CYS B 167 -1.287 4.572 0.275 1.00 0.94 C ATOM 2129 SG CYS B 167 -2.254 6.083 0.549 1.00 1.56 S ATOM 0 H CYS B 167 -0.043 2.516 0.491 1.00 0.87 H new ATOM 0 HA CYS B 167 0.690 5.286 0.543 1.00 0.88 H new ATOM 0 HB2 CYS B 167 -1.121 4.459 -0.796 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -1.883 3.718 0.597 1.00 0.94 H new ATOM 2134 N ALA B 168 0.791 5.663 2.973 1.00 0.90 N ATOM 2135 CA ALA B 168 0.733 5.968 4.385 1.00 0.95 C ATOM 2136 C ALA B 168 -0.479 6.817 4.665 1.00 0.96 C ATOM 2137 O ALA B 168 -0.979 6.854 5.793 1.00 1.04 O ATOM 2138 CB ALA B 168 2.001 6.666 4.851 1.00 0.96 C ATOM 0 H ALA B 168 1.506 6.166 2.447 1.00 0.90 H new ATOM 0 HA ALA B 168 0.653 5.034 4.942 1.00 0.95 H new ATOM 0 HB1 ALA B 168 1.927 6.882 5.917 1.00 0.96 H new ATOM 0 HB2 ALA B 168 2.860 6.019 4.671 1.00 0.96 H new ATOM 0 HB3 ALA B 168 2.127 7.598 4.300 1.00 0.96 H new ATOM 2144 N ALA B 169 -0.956 7.528 3.647 1.00 0.90 N ATOM 2145 CA ALA B 169 -2.093 8.409 3.755 1.00 0.94 C ATOM 2146 C ALA B 169 -2.476 8.883 2.353 1.00 0.91 C ATOM 2147 O ALA B 169 -1.681 8.789 1.416 1.00 0.87 O ATOM 2148 CB ALA B 169 -1.758 9.590 4.595 1.00 0.98 C ATOM 0 H ALA B 169 -0.549 7.501 2.712 1.00 0.90 H new ATOM 0 HA ALA B 169 -2.921 7.873 4.219 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -2.627 10.244 4.666 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -1.472 9.257 5.593 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -0.929 10.135 4.143 1.00 0.98 H new ATOM 2154 N ALA B 170 -3.673 9.413 2.219 1.00 0.98 N ATOM 2155 CA ALA B 170 -4.148 9.920 0.921 1.00 1.00 C ATOM 2156 C ALA B 170 -3.193 10.962 0.328 1.00 1.04 C ATOM 2157 O ALA B 170 -2.890 11.973 0.960 1.00 1.25 O ATOM 2158 CB ALA B 170 -5.546 10.507 1.052 1.00 1.15 C ATOM 0 H ALA B 170 -4.343 9.510 2.982 1.00 0.98 H new ATOM 0 HA ALA B 170 -4.180 9.071 0.238 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -5.878 10.876 0.082 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -6.233 9.736 1.402 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -5.530 11.330 1.767 1.00 1.15 H new ATOM 2164 N GLY B 171 -2.751 10.730 -0.904 1.00 1.15 N ATOM 2165 CA GLY B 171 -1.873 11.680 -1.559 1.00 1.28 C ATOM 2166 C GLY B 171 -0.423 11.588 -1.119 1.00 1.22 C ATOM 2167 O GLY B 171 0.405 12.375 -1.558 1.00 1.29 O ATOM 0 H GLY B 171 -2.984 9.905 -1.457 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -1.925 11.524 -2.636 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -2.237 12.689 -1.365 1.00 1.28 H new ATOM 2171 N ILE B 172 -0.157 10.786 -0.109 1.00 1.13 N ATOM 2172 CA ILE B 172 1.194 10.691 0.456 1.00 1.09 C ATOM 2173 C ILE B 172 1.608 9.216 0.626 1.00 1.02 C ATOM 2174 O ILE B 172 1.181 8.521 1.554 1.00 1.34 O ATOM 2175 CB ILE B 172 1.289 11.467 1.771 1.00 1.53 C ATOM 2176 CG1 ILE B 172 0.437 10.827 2.850 1.00 1.09 C ATOM 2177 CG2 ILE B 172 0.884 12.915 1.549 1.00 2.27 C ATOM 2178 CD1 ILE B 172 1.296 10.147 3.869 1.00 0.91 C ATOM 0 H ILE B 172 -0.848 10.188 0.344 1.00 1.13 H new ATOM 0 HA ILE B 172 1.896 11.149 -0.240 1.00 1.09 H new ATOM 0 HB ILE B 172 2.324 11.440 2.113 1.00 1.53 H new ATOM 0 HG12 ILE B 172 -0.177 11.587 3.334 1.00 1.09 H new ATOM 0 HG13 ILE B 172 -0.245 10.104 2.401 1.00 1.09 H new ATOM 0 HG21 ILE B 172 0.954 13.461 2.490 1.00 2.27 H new ATOM 0 HG22 ILE B 172 1.549 13.370 0.815 1.00 2.27 H new ATOM 0 HG23 ILE B 172 -0.142 12.954 1.183 1.00 2.27 H new ATOM 0 HD11 ILE B 172 0.665 9.695 4.634 1.00 0.91 H new ATOM 0 HD12 ILE B 172 1.891 9.372 3.385 1.00 0.91 H new ATOM 0 HD13 ILE B 172 1.959 10.878 4.332 1.00 0.91 H new ATOM 2190 N CYS B 173 2.418 8.734 -0.319 1.00 0.81 N ATOM 2191 CA CYS B 173 2.860 7.340 -0.322 1.00 1.04 C ATOM 2192 C CYS B 173 4.165 7.148 0.431 1.00 1.06 C ATOM 2193 O CYS B 173 5.235 7.504 -0.058 1.00 1.19 O ATOM 2194 CB CYS B 173 3.037 6.862 -1.754 1.00 1.17 C ATOM 2195 SG CYS B 173 2.152 5.323 -2.137 1.00 1.94 S ATOM 0 H CYS B 173 2.781 9.291 -1.093 1.00 0.81 H new ATOM 0 HA CYS B 173 2.092 6.756 0.185 1.00 1.04 H new ATOM 0 HB2 CYS B 173 2.694 7.644 -2.432 1.00 1.17 H new ATOM 0 HB3 CYS B 173 4.100 6.715 -1.948 1.00 1.17 H new ATOM 2200 N CYS B 174 4.072 6.569 1.617 1.00 0.97 N ATOM 2201 CA CYS B 174 5.250 6.324 2.429 1.00 0.99 C ATOM 2202 C CYS B 174 5.808 4.919 2.207 1.00 1.16 C ATOM 2203 O CYS B 174 5.114 3.913 2.384 1.00 1.35 O ATOM 2204 CB CYS B 174 4.932 6.541 3.908 1.00 1.12 C ATOM 2205 SG CYS B 174 5.643 8.074 4.596 1.00 1.26 S ATOM 0 H CYS B 174 3.195 6.261 2.037 1.00 0.97 H new ATOM 0 HA CYS B 174 6.016 7.036 2.121 1.00 0.99 H new ATOM 0 HB2 CYS B 174 3.850 6.563 4.038 1.00 1.12 H new ATOM 0 HB3 CYS B 174 5.305 5.690 4.479 1.00 1.12 H new ATOM 2210 N SER B 175 7.079 4.871 1.831 1.00 1.15 N ATOM 2211 CA SER B 175 7.778 3.616 1.597 1.00 1.38 C ATOM 2212 C SER B 175 8.495 3.197 2.880 1.00 1.29 C ATOM 2213 O SER B 175 8.389 3.888 3.892 1.00 1.12 O ATOM 2214 CB SER B 175 8.779 3.773 0.449 1.00 1.48 C ATOM 2215 OG SER B 175 9.646 4.870 0.675 1.00 2.00 O ATOM 0 H SER B 175 7.653 5.700 1.680 1.00 1.15 H new ATOM 0 HA SER B 175 7.060 2.845 1.317 1.00 1.38 H new ATOM 0 HB2 SER B 175 9.364 2.859 0.345 1.00 1.48 H new ATOM 0 HB3 SER B 175 8.242 3.917 -0.489 1.00 1.48 H new ATOM 0 HG SER B 175 10.277 4.948 -0.071 1.00 2.00 H new ATOM 2221 N PRO B 176 9.231 2.070 2.883 1.00 1.49 N ATOM 2222 CA PRO B 176 9.933 1.622 4.085 1.00 1.45 C ATOM 2223 C PRO B 176 11.191 2.445 4.336 1.00 1.20 C ATOM 2224 O PRO B 176 12.163 1.963 4.919 1.00 1.25 O ATOM 2225 CB PRO B 176 10.291 0.173 3.763 1.00 1.77 C ATOM 2226 CG PRO B 176 10.426 0.141 2.280 1.00 1.90 C ATOM 2227 CD PRO B 176 9.437 1.146 1.745 1.00 1.81 C ATOM 0 HA PRO B 176 9.331 1.729 4.987 1.00 1.45 H new ATOM 0 HB2 PRO B 176 11.219 -0.124 4.252 1.00 1.77 H new ATOM 0 HB3 PRO B 176 9.516 -0.513 4.106 1.00 1.77 H new ATOM 0 HG2 PRO B 176 11.442 0.395 1.976 1.00 1.90 H new ATOM 0 HG3 PRO B 176 10.217 -0.856 1.892 1.00 1.90 H new ATOM 0 HD2 PRO B 176 9.828 1.667 0.871 1.00 1.81 H new ATOM 0 HD3 PRO B 176 8.505 0.669 1.442 1.00 1.81 H new ATOM 2235 N ASP B 177 11.152 3.701 3.894 1.00 1.01 N ATOM 2236 CA ASP B 177 12.269 4.620 4.067 1.00 0.92 C ATOM 2237 C ASP B 177 11.768 6.049 4.285 1.00 0.83 C ATOM 2238 O ASP B 177 12.268 6.765 5.152 1.00 0.90 O ATOM 2239 CB ASP B 177 13.199 4.568 2.852 1.00 1.18 C ATOM 2240 CG ASP B 177 14.254 3.486 2.979 1.00 1.96 C ATOM 2241 OD1 ASP B 177 15.301 3.749 3.607 1.00 2.72 O ATOM 2242 OD2 ASP B 177 14.034 2.377 2.449 1.00 2.51 O ATOM 0 H ASP B 177 10.350 4.105 3.410 1.00 1.01 H new ATOM 0 HA ASP B 177 12.828 4.311 4.951 1.00 0.92 H new ATOM 0 HB2 ASP B 177 12.608 4.392 1.953 1.00 1.18 H new ATOM 0 HB3 ASP B 177 13.687 5.535 2.729 1.00 1.18 H new ATOM 2247 N GLY B 178 10.779 6.460 3.488 1.00 0.89 N ATOM 2248 CA GLY B 178 10.231 7.806 3.612 1.00 0.87 C ATOM 2249 C GLY B 178 8.828 7.936 3.036 1.00 0.85 C ATOM 2250 O GLY B 178 8.008 7.028 3.172 1.00 0.99 O ATOM 0 H GLY B 178 10.349 5.888 2.761 1.00 0.89 H new ATOM 0 HA2 GLY B 178 10.213 8.089 4.665 1.00 0.87 H new ATOM 0 HA3 GLY B 178 10.892 8.509 3.105 1.00 0.87 H new ATOM 2254 N CYS B 179 8.556 9.071 2.387 1.00 0.78 N ATOM 2255 CA CYS B 179 7.245 9.327 1.784 1.00 0.79 C ATOM 2256 C CYS B 179 7.408 9.894 0.374 1.00 0.77 C ATOM 2257 O CYS B 179 8.484 10.370 0.012 1.00 0.88 O ATOM 2258 CB CYS B 179 6.429 10.283 2.653 1.00 0.92 C ATOM 2259 SG CYS B 179 4.930 9.534 3.374 1.00 1.34 S ATOM 0 H CYS B 179 9.228 9.829 2.265 1.00 0.78 H new ATOM 0 HA CYS B 179 6.707 8.381 1.718 1.00 0.79 H new ATOM 0 HB2 CYS B 179 7.061 10.654 3.460 1.00 0.92 H new ATOM 0 HB3 CYS B 179 6.139 11.146 2.053 1.00 0.92 H new ATOM 2264 N HIS B 180 6.353 9.798 -0.438 1.00 0.70 N ATOM 2265 CA HIS B 180 6.421 10.246 -1.830 1.00 0.75 C ATOM 2266 C HIS B 180 5.030 10.576 -2.334 1.00 0.69 C ATOM 2267 O HIS B 180 4.082 9.829 -2.096 1.00 0.66 O ATOM 2268 CB HIS B 180 7.058 9.143 -2.701 1.00 0.89 C ATOM 2269 CG HIS B 180 6.989 9.384 -4.186 1.00 0.94 C ATOM 2270 ND1 HIS B 180 7.042 10.640 -4.754 1.00 1.60 N ATOM 2271 CD2 HIS B 180 6.864 8.514 -5.219 1.00 1.70 C ATOM 2272 CE1 HIS B 180 6.953 10.532 -6.070 1.00 2.03 C ATOM 2273 NE2 HIS B 180 6.845 9.252 -6.376 1.00 2.10 N ATOM 0 H HIS B 180 5.449 9.417 -0.159 1.00 0.70 H new ATOM 0 HA HIS B 180 7.037 11.143 -1.890 1.00 0.75 H new ATOM 0 HB2 HIS B 180 8.104 9.034 -2.414 1.00 0.89 H new ATOM 0 HB3 HIS B 180 6.566 8.196 -2.479 1.00 0.89 H new ATOM 0 HD1 HIS B 180 7.135 11.516 -4.240 1.00 1.60 H new ATOM 0 HD2 HIS B 180 6.793 7.439 -5.145 1.00 1.70 H new ATOM 0 HE1 HIS B 180 6.966 11.351 -6.774 1.00 2.03 H new ATOM 2282 N GLU B 181 4.895 11.722 -3.007 1.00 0.75 N ATOM 2283 CA GLU B 181 3.597 12.148 -3.520 1.00 0.77 C ATOM 2284 C GLU B 181 3.055 11.084 -4.482 1.00 0.73 C ATOM 2285 O GLU B 181 3.782 10.591 -5.345 1.00 0.94 O ATOM 2286 CB GLU B 181 3.715 13.565 -4.155 1.00 0.93 C ATOM 2287 CG GLU B 181 3.497 13.656 -5.664 1.00 1.69 C ATOM 2288 CD GLU B 181 2.881 14.977 -6.089 1.00 2.34 C ATOM 2289 OE1 GLU B 181 1.666 15.164 -5.867 1.00 3.06 O ATOM 2290 OE2 GLU B 181 3.613 15.823 -6.643 1.00 2.69 O ATOM 0 H GLU B 181 5.662 12.364 -3.206 1.00 0.75 H new ATOM 0 HA GLU B 181 2.873 12.238 -2.711 1.00 0.77 H new ATOM 0 HB2 GLU B 181 2.993 14.219 -3.666 1.00 0.93 H new ATOM 0 HB3 GLU B 181 4.706 13.959 -3.929 1.00 0.93 H new ATOM 0 HG2 GLU B 181 4.452 13.525 -6.173 1.00 1.69 H new ATOM 0 HG3 GLU B 181 2.850 12.839 -5.983 1.00 1.69 H new ATOM 2297 N ASP B 182 1.798 10.705 -4.300 1.00 0.77 N ATOM 2298 CA ASP B 182 1.202 9.671 -5.129 1.00 0.79 C ATOM 2299 C ASP B 182 -0.258 10.003 -5.492 1.00 0.97 C ATOM 2300 O ASP B 182 -1.037 10.406 -4.628 1.00 1.22 O ATOM 2301 CB ASP B 182 1.333 8.320 -4.390 1.00 0.90 C ATOM 2302 CG ASP B 182 0.272 8.095 -3.320 1.00 1.39 C ATOM 2303 OD1 ASP B 182 0.496 8.517 -2.166 1.00 2.06 O ATOM 2304 OD2 ASP B 182 -0.777 7.497 -3.639 1.00 1.88 O ATOM 0 H ASP B 182 1.177 11.095 -3.591 1.00 0.77 H new ATOM 0 HA ASP B 182 1.731 9.609 -6.080 1.00 0.79 H new ATOM 0 HB2 ASP B 182 1.277 7.512 -5.119 1.00 0.90 H new ATOM 0 HB3 ASP B 182 2.319 8.264 -3.928 1.00 0.90 H new ATOM 2309 N PRO B 183 -0.647 9.854 -6.782 1.00 1.15 N ATOM 2310 CA PRO B 183 -2.007 10.157 -7.239 1.00 1.41 C ATOM 2311 C PRO B 183 -3.005 9.047 -6.923 1.00 1.28 C ATOM 2312 O PRO B 183 -4.214 9.239 -7.045 1.00 1.41 O ATOM 2313 CB PRO B 183 -1.861 10.313 -8.762 1.00 1.79 C ATOM 2314 CG PRO B 183 -0.404 10.139 -9.066 1.00 1.91 C ATOM 2315 CD PRO B 183 0.190 9.403 -7.899 1.00 1.41 C ATOM 0 HA PRO B 183 -2.399 11.042 -6.738 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -2.459 9.569 -9.288 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -2.212 11.292 -9.088 1.00 1.79 H new ATOM 0 HG2 PRO B 183 -0.265 9.578 -9.990 1.00 1.91 H new ATOM 0 HG3 PRO B 183 0.082 11.105 -9.203 1.00 1.91 H new ATOM 0 HD2 PRO B 183 0.141 8.322 -8.033 1.00 1.41 H new ATOM 0 HD3 PRO B 183 1.239 9.658 -7.749 1.00 1.41 H new ATOM 2323 N ALA B 184 -2.499 7.885 -6.523 1.00 1.13 N ATOM 2324 CA ALA B 184 -3.362 6.756 -6.196 1.00 1.18 C ATOM 2325 C ALA B 184 -4.250 7.075 -4.997 1.00 1.22 C ATOM 2326 O ALA B 184 -5.437 6.748 -4.986 1.00 1.56 O ATOM 2327 CB ALA B 184 -2.527 5.512 -5.929 1.00 1.21 C ATOM 0 H ALA B 184 -1.501 7.701 -6.418 1.00 1.13 H new ATOM 0 HA ALA B 184 -4.010 6.564 -7.051 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -3.185 4.677 -5.686 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -1.944 5.268 -6.817 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -1.854 5.698 -5.092 1.00 1.21 H new ATOM 2333 N CYS B 185 -3.667 7.727 -3.991 1.00 1.05 N ATOM 2334 CA CYS B 185 -4.405 8.110 -2.784 1.00 1.23 C ATOM 2335 C CYS B 185 -4.824 9.573 -2.833 1.00 1.50 C ATOM 2336 O CYS B 185 -5.103 10.188 -1.805 1.00 1.94 O ATOM 2337 CB CYS B 185 -3.570 7.837 -1.534 1.00 1.19 C ATOM 2338 SG CYS B 185 -3.557 6.094 -1.007 1.00 1.46 S ATOM 0 H CYS B 185 -2.685 8.002 -3.987 1.00 1.05 H new ATOM 0 HA CYS B 185 -5.309 7.502 -2.740 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -2.544 8.156 -1.720 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -3.951 8.449 -0.716 1.00 1.19 H new ATOM 2343 N ASP B 186 -4.894 10.110 -4.041 1.00 1.54 N ATOM 2344 CA ASP B 186 -5.294 11.483 -4.263 1.00 1.92 C ATOM 2345 C ASP B 186 -6.703 11.634 -4.766 1.00 1.82 C ATOM 2346 O ASP B 186 -7.286 12.702 -4.567 1.00 2.28 O ATOM 2347 CB ASP B 186 -4.308 12.210 -5.176 1.00 2.44 C ATOM 2348 CG ASP B 186 -3.418 13.170 -4.412 1.00 3.09 C ATOM 2349 OD1 ASP B 186 -3.953 14.121 -3.804 1.00 3.61 O ATOM 2350 OD2 ASP B 186 -2.185 12.971 -4.421 1.00 3.49 O ATOM 0 H ASP B 186 -4.673 9.600 -4.896 1.00 1.54 H new ATOM 0 HA ASP B 186 -5.275 11.953 -3.280 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -3.689 11.478 -5.694 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -4.860 12.759 -5.939 1.00 2.44 H new ATOM 2355 N PRO B 187 -7.322 10.609 -5.391 1.00 1.73 N ATOM 2356 CA PRO B 187 -8.701 10.730 -5.837 1.00 2.05 C ATOM 2357 C PRO B 187 -9.585 11.331 -4.755 1.00 2.17 C ATOM 2358 O PRO B 187 -9.714 10.741 -3.685 1.00 2.31 O ATOM 2359 CB PRO B 187 -9.093 9.301 -6.090 1.00 2.47 C ATOM 2360 CG PRO B 187 -7.846 8.635 -6.521 1.00 2.58 C ATOM 2361 CD PRO B 187 -6.775 9.265 -5.694 1.00 1.99 C ATOM 0 HA PRO B 187 -8.809 11.382 -6.704 1.00 2.05 H new ATOM 0 HB2 PRO B 187 -9.498 8.837 -5.191 1.00 2.47 H new ATOM 0 HB3 PRO B 187 -9.863 9.233 -6.858 1.00 2.47 H new ATOM 0 HG2 PRO B 187 -7.894 7.559 -6.354 1.00 2.58 H new ATOM 0 HG3 PRO B 187 -7.664 8.785 -7.585 1.00 2.58 H new ATOM 0 HD2 PRO B 187 -6.582 8.695 -4.785 1.00 1.99 H new ATOM 0 HD3 PRO B 187 -5.832 9.328 -6.237 1.00 1.99 H new ATOM 2369 N GLU B 188 -10.140 12.518 -5.082 1.00 2.54 N ATOM 2370 CA GLU B 188 -11.012 13.433 -4.227 1.00 3.18 C ATOM 2371 C GLU B 188 -11.164 12.866 -2.873 1.00 3.47 C ATOM 2372 O GLU B 188 -12.229 12.555 -2.348 1.00 4.08 O ATOM 2373 CB GLU B 188 -12.416 13.563 -4.856 1.00 3.61 C ATOM 2374 CG GLU B 188 -13.057 12.222 -5.210 1.00 3.52 C ATOM 2375 CD GLU B 188 -14.560 12.316 -5.420 1.00 4.20 C ATOM 2376 OE1 GLU B 188 -15.007 13.274 -6.085 1.00 4.57 O ATOM 2377 OE2 GLU B 188 -15.289 11.430 -4.924 1.00 4.70 O ATOM 0 H GLU B 188 -9.996 12.914 -6.011 1.00 2.54 H new ATOM 0 HA GLU B 188 -10.533 14.411 -4.172 1.00 3.18 H new ATOM 0 HB2 GLU B 188 -13.067 14.095 -4.163 1.00 3.61 H new ATOM 0 HB3 GLU B 188 -12.346 14.171 -5.758 1.00 3.61 H new ATOM 0 HG2 GLU B 188 -12.593 11.832 -6.116 1.00 3.52 H new ATOM 0 HG3 GLU B 188 -12.851 11.506 -4.414 1.00 3.52 H new ATOM 2384 N ALA B 189 -9.943 12.690 -2.322 1.00 3.25 N ATOM 2385 CA ALA B 189 -9.720 12.068 -1.048 1.00 3.84 C ATOM 2386 C ALA B 189 -10.081 12.949 0.096 1.00 4.73 C ATOM 2387 O ALA B 189 -9.897 12.557 1.257 1.00 5.24 O ATOM 2388 CB ALA B 189 -8.269 11.555 -0.953 1.00 3.45 C ATOM 0 H ALA B 189 -9.083 12.991 -2.780 1.00 3.25 H new ATOM 0 HA ALA B 189 -10.391 11.212 -0.977 1.00 3.84 H new ATOM 0 HB1 ALA B 189 -8.112 11.085 0.018 1.00 3.45 H new ATOM 0 HB2 ALA B 189 -8.089 10.825 -1.743 1.00 3.45 H new ATOM 0 HB3 ALA B 189 -7.579 12.391 -1.067 1.00 3.45 H new ATOM 2394 N ALA B 190 -10.518 14.171 -0.215 1.00 5.07 N ATOM 2395 CA ALA B 190 -10.794 15.068 0.893 1.00 6.09 C ATOM 2396 C ALA B 190 -11.906 14.480 1.784 1.00 6.88 C ATOM 2397 O ALA B 190 -12.889 13.951 1.247 1.00 6.93 O ATOM 2398 CB ALA B 190 -11.153 16.450 0.374 1.00 6.41 C ATOM 0 H ALA B 190 -10.677 14.538 -1.153 1.00 5.07 H new ATOM 0 HA ALA B 190 -9.899 15.172 1.507 1.00 6.09 H new ATOM 0 HB1 ALA B 190 -11.358 17.113 1.215 1.00 6.41 H new ATOM 0 HB2 ALA B 190 -10.321 16.848 -0.207 1.00 6.41 H new ATOM 0 HB3 ALA B 190 -12.038 16.383 -0.258 1.00 6.41 H new ATOM 2404 N PHE B 191 -11.830 14.665 3.085 1.00 7.61 N ATOM 2405 CA PHE B 191 -12.915 14.230 3.957 1.00 8.50 C ATOM 2406 C PHE B 191 -13.740 15.449 4.375 1.00 9.34 C ATOM 2407 O PHE B 191 -13.716 15.859 5.534 1.00 9.88 O ATOM 2408 CB PHE B 191 -12.384 13.479 5.173 1.00 8.96 C ATOM 2409 CG PHE B 191 -12.625 11.999 5.091 1.00 9.23 C ATOM 2410 CD1 PHE B 191 -13.812 11.450 5.549 1.00 9.60 C ATOM 2411 CD2 PHE B 191 -11.668 11.157 4.547 1.00 9.37 C ATOM 2412 CE1 PHE B 191 -14.039 10.088 5.468 1.00 10.04 C ATOM 2413 CE2 PHE B 191 -11.890 9.795 4.462 1.00 9.84 C ATOM 2414 CZ PHE B 191 -13.076 9.260 4.924 1.00 10.14 C ATOM 0 H PHE B 191 -11.044 15.106 3.562 1.00 7.61 H new ATOM 0 HA PHE B 191 -13.553 13.535 3.411 1.00 8.50 H new ATOM 0 HB2 PHE B 191 -11.314 13.664 5.270 1.00 8.96 H new ATOM 0 HB3 PHE B 191 -12.858 13.871 6.073 1.00 8.96 H new ATOM 0 HD1 PHE B 191 -14.569 12.093 5.974 1.00 9.60 H new ATOM 0 HD2 PHE B 191 -10.738 11.570 4.185 1.00 9.37 H new ATOM 0 HE1 PHE B 191 -14.968 9.672 5.830 1.00 10.04 H new ATOM 0 HE2 PHE B 191 -11.136 9.150 4.035 1.00 9.84 H new ATOM 0 HZ PHE B 191 -13.251 8.196 4.860 1.00 10.14 H new ATOM 2424 N SER B 192 -14.446 16.040 3.409 1.00 9.55 N ATOM 2425 CA SER B 192 -15.253 17.231 3.664 1.00 10.42 C ATOM 2426 C SER B 192 -16.469 17.281 2.743 1.00 11.18 C ATOM 2427 O SER B 192 -17.587 17.502 3.254 1.00 11.41 O ATOM 2428 CB SER B 192 -14.403 18.488 3.457 1.00 10.44 C ATOM 2429 OG SER B 192 -14.321 19.257 4.644 1.00 10.49 O ATOM 2430 OXT SER B 192 -16.292 17.106 1.520 1.00 11.70 O ATOM 0 H SER B 192 -14.474 15.712 2.444 1.00 9.55 H new ATOM 0 HA SER B 192 -15.604 17.188 4.695 1.00 10.42 H new ATOM 0 HB2 SER B 192 -13.401 18.203 3.136 1.00 10.44 H new ATOM 0 HB3 SER B 192 -14.833 19.093 2.659 1.00 10.44 H new ATOM 0 HG SER B 192 -13.771 20.052 4.482 1.00 10.49 H new TER 2436 SER B 192