USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 970 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 Set 1.1: B 47 LYS NZ :NH3+ -153:sc= -0.454! (180deg=-1.81!) USER MOD Set 1.2: B 53 SER OG : rot -70:sc= 1.52 USER MOD Set 2.1: A 47 LYS NZ :NH3+ -145:sc= 3.37 (180deg=0.634!) USER MOD Set 2.2: A 53 SER OG : rot -95:sc= 1.96 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc= 0.156 (180deg=-0.184) USER MOD Single : A 2 LYS NZ :NH3+ -179:sc= -0.217 (180deg=-0.218) USER MOD Single : A 4 THR OG1 : rot 74:sc= -1.15! USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -1.85! (180deg=-2.56!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= 1.3 (180deg=1.21) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 LYS NZ :NH3+ 160:sc= -0.306 (180deg=-0.913) USER MOD Single : B 4 THR OG1 : rot 86:sc= -1.24! USER MOD Single : B 20 LYS NZ :NH3+ 168:sc= -0.88 (180deg=-1.07!) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.046 -11.903 13.472 1.00 3.96 N ATOM 2 CA MET A 1 6.923 -11.649 12.019 1.00 3.42 C ATOM 3 C MET A 1 6.807 -10.155 11.781 1.00 2.72 C ATOM 4 O MET A 1 7.038 -9.359 12.692 1.00 3.29 O ATOM 5 CB MET A 1 5.701 -12.375 11.447 1.00 3.67 C ATOM 6 CG MET A 1 5.759 -13.886 11.602 1.00 4.16 C ATOM 7 SD MET A 1 4.324 -14.716 10.891 1.00 4.95 S ATOM 8 CE MET A 1 4.699 -16.420 11.293 1.00 5.91 C ATOM 0 H1 MET A 1 7.801 -12.598 13.640 1.00 3.96 H new ATOM 0 H2 MET A 1 7.278 -11.015 13.961 1.00 3.96 H new ATOM 0 H3 MET A 1 6.146 -12.274 13.837 1.00 3.96 H new ATOM 0 HA MET A 1 7.810 -12.029 11.513 1.00 3.42 H new ATOM 0 HB2 MET A 1 4.804 -12.002 11.941 1.00 3.67 H new ATOM 0 HB3 MET A 1 5.607 -12.131 10.389 1.00 3.67 H new ATOM 0 HG2 MET A 1 6.664 -14.261 11.124 1.00 4.16 H new ATOM 0 HG3 MET A 1 5.830 -14.136 12.661 1.00 4.16 H new ATOM 0 HE1 MET A 1 3.904 -17.065 10.920 1.00 5.91 H new ATOM 0 HE2 MET A 1 5.644 -16.704 10.830 1.00 5.91 H new ATOM 0 HE3 MET A 1 4.778 -16.530 12.375 1.00 5.91 H new ATOM 20 N LYS A 2 6.468 -9.768 10.563 1.00 1.76 N ATOM 21 CA LYS A 2 6.208 -8.372 10.272 1.00 1.11 C ATOM 22 C LYS A 2 4.799 -7.998 10.694 1.00 0.77 C ATOM 23 O LYS A 2 4.416 -8.216 11.844 1.00 0.80 O ATOM 24 CB LYS A 2 6.446 -8.066 8.786 1.00 0.64 C ATOM 25 CG LYS A 2 7.918 -7.912 8.416 1.00 0.98 C ATOM 26 CD LYS A 2 8.487 -6.536 8.788 1.00 1.79 C ATOM 27 CE LYS A 2 8.259 -6.179 10.252 1.00 2.66 C ATOM 28 NZ LYS A 2 9.008 -4.959 10.664 1.00 3.71 N ATOM 0 H LYS A 2 6.367 -10.397 9.766 1.00 1.76 H new ATOM 0 HA LYS A 2 6.906 -7.764 10.847 1.00 1.11 H new ATOM 0 HB2 LYS A 2 6.012 -8.866 8.186 1.00 0.64 H new ATOM 0 HB3 LYS A 2 5.918 -7.149 8.524 1.00 0.64 H new ATOM 0 HG2 LYS A 2 8.497 -8.687 8.919 1.00 0.98 H new ATOM 0 HG3 LYS A 2 8.036 -8.071 7.344 1.00 0.98 H new ATOM 0 HD2 LYS A 2 9.556 -6.521 8.577 1.00 1.79 H new ATOM 0 HD3 LYS A 2 8.027 -5.775 8.157 1.00 1.79 H new ATOM 0 HE2 LYS A 2 7.194 -6.023 10.423 1.00 2.66 H new ATOM 0 HE3 LYS A 2 8.563 -7.017 10.879 1.00 2.66 H new ATOM 0 HZ1 LYS A 2 8.833 -4.768 11.671 1.00 3.71 H new ATOM 0 HZ2 LYS A 2 10.026 -5.108 10.511 1.00 3.71 H new ATOM 0 HZ3 LYS A 2 8.688 -4.148 10.097 1.00 3.71 H new ATOM 42 N ALA A 3 4.049 -7.439 9.763 1.00 0.50 N ATOM 43 CA ALA A 3 2.680 -7.001 10.009 1.00 0.32 C ATOM 44 C ALA A 3 2.624 -5.843 11.001 1.00 0.37 C ATOM 45 O ALA A 3 2.840 -6.012 12.202 1.00 0.72 O ATOM 46 CB ALA A 3 1.804 -8.158 10.480 1.00 0.44 C ATOM 0 H ALA A 3 4.370 -7.273 8.809 1.00 0.50 H new ATOM 0 HA ALA A 3 2.286 -6.641 9.059 1.00 0.32 H new ATOM 0 HB1 ALA A 3 0.790 -7.799 10.655 1.00 0.44 H new ATOM 0 HB2 ALA A 3 1.787 -8.936 9.717 1.00 0.44 H new ATOM 0 HB3 ALA A 3 2.208 -8.567 11.406 1.00 0.44 H new ATOM 52 N THR A 4 2.338 -4.663 10.483 1.00 0.23 N ATOM 53 CA THR A 4 2.263 -3.470 11.301 1.00 0.26 C ATOM 54 C THR A 4 0.828 -3.150 11.695 1.00 0.27 C ATOM 55 O THR A 4 0.545 -2.847 12.855 1.00 0.41 O ATOM 56 CB THR A 4 2.905 -2.281 10.571 1.00 0.26 C ATOM 57 OG1 THR A 4 2.466 -2.256 9.206 1.00 0.23 O ATOM 58 CG2 THR A 4 4.424 -2.380 10.609 1.00 0.27 C ATOM 0 H THR A 4 2.153 -4.506 9.492 1.00 0.23 H new ATOM 0 HA THR A 4 2.819 -3.659 12.219 1.00 0.26 H new ATOM 0 HB THR A 4 2.600 -1.364 11.075 1.00 0.26 H new ATOM 0 HG1 THR A 4 1.537 -1.946 9.167 1.00 0.23 H new ATOM 0 HG21 THR A 4 4.857 -1.528 10.086 1.00 0.27 H new ATOM 0 HG22 THR A 4 4.763 -2.381 11.645 1.00 0.27 H new ATOM 0 HG23 THR A 4 4.741 -3.303 10.123 1.00 0.27 H new ATOM 66 N GLY A 5 -0.075 -3.216 10.731 1.00 0.21 N ATOM 67 CA GLY A 5 -1.478 -3.054 11.027 1.00 0.24 C ATOM 68 C GLY A 5 -1.841 -1.631 11.408 1.00 0.25 C ATOM 69 O GLY A 5 -2.514 -1.399 12.412 1.00 0.32 O ATOM 0 H GLY A 5 0.141 -3.379 9.748 1.00 0.21 H new ATOM 0 HA2 GLY A 5 -2.064 -3.353 10.158 1.00 0.24 H new ATOM 0 HA3 GLY A 5 -1.752 -3.724 11.842 1.00 0.24 H new ATOM 73 N ILE A 6 -1.398 -0.680 10.607 1.00 0.21 N ATOM 74 CA ILE A 6 -1.786 0.709 10.792 1.00 0.22 C ATOM 75 C ILE A 6 -2.802 1.069 9.724 1.00 0.19 C ATOM 76 O ILE A 6 -2.488 1.062 8.543 1.00 0.17 O ATOM 77 CB ILE A 6 -0.568 1.683 10.751 1.00 0.23 C ATOM 78 CG1 ILE A 6 -1.017 3.131 10.498 1.00 0.26 C ATOM 79 CG2 ILE A 6 0.451 1.259 9.702 1.00 0.20 C ATOM 80 CD1 ILE A 6 -1.918 3.701 11.574 1.00 0.31 C ATOM 0 H ILE A 6 -0.769 -0.842 9.821 1.00 0.21 H new ATOM 0 HA ILE A 6 -2.224 0.817 11.784 1.00 0.22 H new ATOM 0 HB ILE A 6 -0.090 1.636 11.730 1.00 0.23 H new ATOM 0 HG12 ILE A 6 -0.133 3.763 10.408 1.00 0.26 H new ATOM 0 HG13 ILE A 6 -1.539 3.175 9.542 1.00 0.26 H new ATOM 0 HG21 ILE A 6 1.286 1.960 9.701 1.00 0.20 H new ATOM 0 HG22 ILE A 6 0.817 0.259 9.934 1.00 0.20 H new ATOM 0 HG23 ILE A 6 -0.019 1.254 8.719 1.00 0.20 H new ATOM 0 HD11 ILE A 6 -2.188 4.725 11.318 1.00 0.31 H new ATOM 0 HD12 ILE A 6 -2.821 3.096 11.650 1.00 0.31 H new ATOM 0 HD13 ILE A 6 -1.394 3.692 12.530 1.00 0.31 H new ATOM 92 N VAL A 7 -4.029 1.327 10.135 1.00 0.24 N ATOM 93 CA VAL A 7 -5.079 1.645 9.188 1.00 0.22 C ATOM 94 C VAL A 7 -5.047 3.118 8.816 1.00 0.23 C ATOM 95 O VAL A 7 -4.921 3.991 9.676 1.00 0.28 O ATOM 96 CB VAL A 7 -6.472 1.239 9.717 1.00 0.23 C ATOM 97 CG1 VAL A 7 -7.579 1.902 8.907 1.00 0.24 C ATOM 98 CG2 VAL A 7 -6.614 -0.275 9.672 1.00 0.23 C ATOM 0 H VAL A 7 -4.321 1.323 11.112 1.00 0.24 H new ATOM 0 HA VAL A 7 -4.891 1.061 8.287 1.00 0.22 H new ATOM 0 HB VAL A 7 -6.566 1.578 10.749 1.00 0.23 H new ATOM 0 HG11 VAL A 7 -8.549 1.599 9.301 1.00 0.24 H new ATOM 0 HG12 VAL A 7 -7.482 2.985 8.976 1.00 0.24 H new ATOM 0 HG13 VAL A 7 -7.499 1.597 7.864 1.00 0.24 H new ATOM 0 HG21 VAL A 7 -7.598 -0.559 10.046 1.00 0.23 H new ATOM 0 HG22 VAL A 7 -6.502 -0.621 8.644 1.00 0.23 H new ATOM 0 HG23 VAL A 7 -5.844 -0.731 10.294 1.00 0.23 H new ATOM 108 N ARG A 8 -5.165 3.387 7.527 1.00 0.22 N ATOM 109 CA ARG A 8 -5.086 4.714 6.979 1.00 0.25 C ATOM 110 C ARG A 8 -6.279 4.907 6.051 1.00 0.23 C ATOM 111 O ARG A 8 -6.447 4.150 5.098 1.00 0.26 O ATOM 112 CB ARG A 8 -3.761 4.855 6.196 1.00 0.26 C ATOM 113 CG ARG A 8 -3.809 5.781 4.973 1.00 0.27 C ATOM 114 CD ARG A 8 -4.330 7.167 5.308 1.00 0.31 C ATOM 115 NE ARG A 8 -3.537 7.849 6.322 1.00 1.12 N ATOM 116 CZ ARG A 8 -3.859 9.033 6.830 1.00 1.16 C ATOM 117 NH1 ARG A 8 -4.953 9.659 6.406 1.00 0.64 N ATOM 118 NH2 ARG A 8 -3.083 9.585 7.753 1.00 1.99 N ATOM 0 H ARG A 8 -5.322 2.666 6.823 1.00 0.22 H new ATOM 0 HA ARG A 8 -5.107 5.469 7.765 1.00 0.25 H new ATOM 0 HB2 ARG A 8 -2.994 5.223 6.878 1.00 0.26 H new ATOM 0 HB3 ARG A 8 -3.447 3.864 5.867 1.00 0.26 H new ATOM 0 HG2 ARG A 8 -2.809 5.866 4.547 1.00 0.27 H new ATOM 0 HG3 ARG A 8 -4.444 5.334 4.208 1.00 0.27 H new ATOM 0 HD2 ARG A 8 -4.345 7.771 4.401 1.00 0.31 H new ATOM 0 HD3 ARG A 8 -5.360 7.087 5.655 1.00 0.31 H new ATOM 0 HE ARG A 8 -2.689 7.393 6.660 1.00 1.12 H new ATOM 0 HH11 ARG A 8 -5.542 9.230 5.693 1.00 0.64 H new ATOM 0 HH12 ARG A 8 -5.203 10.568 6.794 1.00 0.64 H new ATOM 0 HH21 ARG A 8 -2.243 9.100 8.070 1.00 1.99 H new ATOM 0 HH22 ARG A 8 -3.326 10.494 8.146 1.00 1.99 H new ATOM 132 N ARG A 9 -7.128 5.874 6.340 1.00 0.19 N ATOM 133 CA ARG A 9 -8.166 6.243 5.400 1.00 0.18 C ATOM 134 C ARG A 9 -7.558 7.116 4.329 1.00 0.20 C ATOM 135 O ARG A 9 -7.211 8.264 4.609 1.00 0.22 O ATOM 136 CB ARG A 9 -9.297 6.989 6.079 1.00 0.19 C ATOM 137 CG ARG A 9 -10.516 7.129 5.201 1.00 0.28 C ATOM 138 CD ARG A 9 -11.690 7.661 5.994 1.00 0.62 C ATOM 139 NE ARG A 9 -11.511 9.069 6.346 1.00 1.45 N ATOM 140 CZ ARG A 9 -12.450 9.827 6.918 1.00 1.80 C ATOM 141 NH1 ARG A 9 -13.629 9.306 7.248 1.00 1.59 N ATOM 142 NH2 ARG A 9 -12.205 11.109 7.165 1.00 2.80 N ATOM 0 H ARG A 9 -7.120 6.412 7.207 1.00 0.19 H new ATOM 0 HA ARG A 9 -8.582 5.333 4.968 1.00 0.18 H new ATOM 0 HB2 ARG A 9 -9.573 6.466 6.995 1.00 0.19 H new ATOM 0 HB3 ARG A 9 -8.949 7.980 6.370 1.00 0.19 H new ATOM 0 HG2 ARG A 9 -10.297 7.801 4.371 1.00 0.28 H new ATOM 0 HG3 ARG A 9 -10.772 6.162 4.769 1.00 0.28 H new ATOM 0 HD2 ARG A 9 -12.605 7.545 5.413 1.00 0.62 H new ATOM 0 HD3 ARG A 9 -11.813 7.071 6.903 1.00 0.62 H new ATOM 0 HE ARG A 9 -10.610 9.501 6.141 1.00 1.45 H new ATOM 0 HH11 ARG A 9 -13.821 8.321 7.064 1.00 1.59 H new ATOM 0 HH12 ARG A 9 -14.341 9.891 7.685 1.00 1.59 H new ATOM 0 HH21 ARG A 9 -11.301 11.512 6.918 1.00 2.80 H new ATOM 0 HH22 ARG A 9 -12.921 11.690 7.602 1.00 2.80 H new ATOM 156 N ILE A 10 -7.435 6.537 3.132 1.00 0.21 N ATOM 157 CA ILE A 10 -6.827 7.170 1.941 1.00 0.24 C ATOM 158 C ILE A 10 -6.678 8.698 2.037 1.00 0.29 C ATOM 159 O ILE A 10 -5.758 9.182 2.701 1.00 0.33 O ATOM 160 CB ILE A 10 -7.599 6.783 0.645 1.00 0.22 C ATOM 161 CG1 ILE A 10 -9.100 6.512 0.919 1.00 0.21 C ATOM 162 CG2 ILE A 10 -6.947 5.561 0.025 1.00 0.21 C ATOM 163 CD1 ILE A 10 -9.768 7.523 1.817 1.00 0.22 C ATOM 0 H ILE A 10 -7.762 5.588 2.951 1.00 0.21 H new ATOM 0 HA ILE A 10 -5.813 6.773 1.897 1.00 0.24 H new ATOM 0 HB ILE A 10 -7.549 7.625 -0.046 1.00 0.22 H new ATOM 0 HG12 ILE A 10 -9.630 6.485 -0.033 1.00 0.21 H new ATOM 0 HG13 ILE A 10 -9.201 5.524 1.368 1.00 0.21 H new ATOM 0 HG21 ILE A 10 -7.482 5.284 -0.883 1.00 0.21 H new ATOM 0 HG22 ILE A 10 -5.909 5.787 -0.220 1.00 0.21 H new ATOM 0 HG23 ILE A 10 -6.980 4.732 0.733 1.00 0.21 H new ATOM 0 HD11 ILE A 10 -10.815 7.253 1.953 1.00 0.22 H new ATOM 0 HD12 ILE A 10 -9.268 7.536 2.786 1.00 0.22 H new ATOM 0 HD13 ILE A 10 -9.704 8.512 1.363 1.00 0.22 H new ATOM 175 N ASP A 11 -7.574 9.430 1.364 1.00 0.30 N ATOM 176 CA ASP A 11 -7.638 10.889 1.420 1.00 0.36 C ATOM 177 C ASP A 11 -8.458 11.361 0.244 1.00 0.36 C ATOM 178 O ASP A 11 -9.190 10.572 -0.337 1.00 0.36 O ATOM 179 CB ASP A 11 -6.250 11.563 1.397 1.00 0.37 C ATOM 180 CG ASP A 11 -5.598 11.620 0.024 1.00 0.34 C ATOM 181 OD1 ASP A 11 -5.135 10.582 -0.481 1.00 1.12 O ATOM 182 OD2 ASP A 11 -5.551 12.722 -0.560 1.00 1.13 O ATOM 0 H ASP A 11 -8.283 9.017 0.758 1.00 0.30 H new ATOM 0 HA ASP A 11 -8.094 11.173 2.369 1.00 0.36 H new ATOM 0 HB2 ASP A 11 -6.347 12.578 1.781 1.00 0.37 H new ATOM 0 HB3 ASP A 11 -5.588 11.026 2.077 1.00 0.37 H new ATOM 187 N ASP A 12 -8.322 12.625 -0.114 1.00 0.41 N ATOM 188 CA ASP A 12 -9.081 13.205 -1.219 1.00 0.43 C ATOM 189 C ASP A 12 -8.594 12.658 -2.557 1.00 0.37 C ATOM 190 O ASP A 12 -9.316 12.702 -3.559 1.00 0.50 O ATOM 191 CB ASP A 12 -8.950 14.731 -1.226 1.00 0.54 C ATOM 192 CG ASP A 12 -9.418 15.378 0.060 1.00 1.38 C ATOM 193 OD1 ASP A 12 -10.648 15.483 0.271 1.00 1.98 O ATOM 194 OD2 ASP A 12 -8.556 15.805 0.856 1.00 2.26 O ATOM 0 H ASP A 12 -7.688 13.279 0.346 1.00 0.41 H new ATOM 0 HA ASP A 12 -10.127 12.933 -1.077 1.00 0.43 H new ATOM 0 HB2 ASP A 12 -7.908 14.998 -1.401 1.00 0.54 H new ATOM 0 HB3 ASP A 12 -9.527 15.134 -2.058 1.00 0.54 H new ATOM 199 N LEU A 13 -7.364 12.163 -2.576 1.00 0.32 N ATOM 200 CA LEU A 13 -6.783 11.605 -3.785 1.00 0.29 C ATOM 201 C LEU A 13 -6.803 10.076 -3.727 1.00 0.24 C ATOM 202 O LEU A 13 -7.442 9.432 -4.560 1.00 0.26 O ATOM 203 CB LEU A 13 -5.353 12.133 -3.972 1.00 0.32 C ATOM 204 CG LEU A 13 -4.718 11.904 -5.351 1.00 0.40 C ATOM 205 CD1 LEU A 13 -4.257 10.465 -5.519 1.00 0.36 C ATOM 206 CD2 LEU A 13 -5.693 12.284 -6.456 1.00 0.53 C ATOM 0 H LEU A 13 -6.749 12.138 -1.763 1.00 0.32 H new ATOM 0 HA LEU A 13 -7.378 11.916 -4.644 1.00 0.29 H new ATOM 0 HB2 LEU A 13 -5.355 13.204 -3.770 1.00 0.32 H new ATOM 0 HB3 LEU A 13 -4.715 11.668 -3.220 1.00 0.32 H new ATOM 0 HG LEU A 13 -3.839 12.545 -5.423 1.00 0.40 H new ATOM 0 HD11 LEU A 13 -3.813 10.338 -6.506 1.00 0.36 H new ATOM 0 HD12 LEU A 13 -3.517 10.229 -4.755 1.00 0.36 H new ATOM 0 HD13 LEU A 13 -5.111 9.795 -5.417 1.00 0.36 H new ATOM 0 HD21 LEU A 13 -5.227 12.115 -7.427 1.00 0.53 H new ATOM 0 HD22 LEU A 13 -6.592 11.673 -6.374 1.00 0.53 H new ATOM 0 HD23 LEU A 13 -5.960 13.336 -6.360 1.00 0.53 H new ATOM 218 N GLY A 14 -6.116 9.502 -2.745 1.00 0.21 N ATOM 219 CA GLY A 14 -6.059 8.066 -2.626 1.00 0.19 C ATOM 220 C GLY A 14 -4.714 7.578 -2.125 1.00 0.19 C ATOM 221 O GLY A 14 -4.397 6.400 -2.248 1.00 0.22 O ATOM 0 H GLY A 14 -5.598 10.012 -2.030 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -6.841 7.730 -1.945 1.00 0.19 H new ATOM 0 HA3 GLY A 14 -6.267 7.616 -3.597 1.00 0.19 H new ATOM 225 N ARG A 15 -3.914 8.467 -1.551 1.00 0.19 N ATOM 226 CA ARG A 15 -2.608 8.067 -1.065 1.00 0.20 C ATOM 227 C ARG A 15 -2.744 7.213 0.166 1.00 0.17 C ATOM 228 O ARG A 15 -3.632 7.413 0.992 1.00 0.17 O ATOM 229 CB ARG A 15 -1.712 9.243 -0.699 1.00 0.25 C ATOM 230 CG ARG A 15 -1.442 10.207 -1.819 1.00 0.25 C ATOM 231 CD ARG A 15 -2.330 11.407 -1.670 1.00 0.29 C ATOM 232 NE ARG A 15 -1.865 12.539 -2.472 1.00 0.40 N ATOM 233 CZ ARG A 15 -2.451 13.736 -2.497 1.00 0.54 C ATOM 234 NH1 ARG A 15 -3.570 13.961 -1.820 1.00 0.67 N ATOM 235 NH2 ARG A 15 -1.913 14.714 -3.209 1.00 0.69 N ATOM 0 H ARG A 15 -4.144 9.451 -1.414 1.00 0.19 H new ATOM 0 HA ARG A 15 -2.149 7.520 -1.889 1.00 0.20 H new ATOM 0 HB2 ARG A 15 -2.171 9.787 0.126 1.00 0.25 H new ATOM 0 HB3 ARG A 15 -0.760 8.856 -0.335 1.00 0.25 H new ATOM 0 HG2 ARG A 15 -0.396 10.512 -1.807 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -1.622 9.725 -2.780 1.00 0.25 H new ATOM 0 HD2 ARG A 15 -3.345 11.145 -1.968 1.00 0.29 H new ATOM 0 HD3 ARG A 15 -2.371 11.699 -0.621 1.00 0.29 H new ATOM 0 HE ARG A 15 -1.036 12.403 -3.051 1.00 0.40 H new ATOM 0 HH11 ARG A 15 -3.993 13.213 -1.271 1.00 0.67 H new ATOM 0 HH12 ARG A 15 -4.007 14.882 -1.849 1.00 0.67 H new ATOM 0 HH21 ARG A 15 -1.055 14.549 -3.735 1.00 0.69 H new ATOM 0 HH22 ARG A 15 -2.357 15.632 -3.232 1.00 0.69 H new ATOM 249 N VAL A 16 -1.847 6.274 0.292 1.00 0.18 N ATOM 250 CA VAL A 16 -1.709 5.544 1.512 1.00 0.20 C ATOM 251 C VAL A 16 -0.489 6.078 2.213 1.00 0.19 C ATOM 252 O VAL A 16 0.638 5.695 1.912 1.00 0.21 O ATOM 253 CB VAL A 16 -1.594 4.032 1.273 1.00 0.29 C ATOM 254 CG1 VAL A 16 -1.409 3.297 2.583 1.00 1.11 C ATOM 255 CG2 VAL A 16 -2.829 3.529 0.546 1.00 1.24 C ATOM 0 H VAL A 16 -1.198 5.998 -0.445 1.00 0.18 H new ATOM 0 HA VAL A 16 -2.600 5.678 2.126 1.00 0.20 H new ATOM 0 HB VAL A 16 -0.719 3.840 0.653 1.00 0.29 H new ATOM 0 HG11 VAL A 16 -1.330 2.227 2.392 1.00 1.11 H new ATOM 0 HG12 VAL A 16 -0.499 3.647 3.071 1.00 1.11 H new ATOM 0 HG13 VAL A 16 -2.265 3.487 3.231 1.00 1.11 H new ATOM 0 HG21 VAL A 16 -2.741 2.455 0.379 1.00 1.24 H new ATOM 0 HG22 VAL A 16 -3.714 3.731 1.149 1.00 1.24 H new ATOM 0 HG23 VAL A 16 -2.919 4.039 -0.413 1.00 1.24 H new ATOM 265 N VAL A 17 -0.727 7.027 3.094 1.00 0.20 N ATOM 266 CA VAL A 17 0.342 7.749 3.739 1.00 0.21 C ATOM 267 C VAL A 17 1.123 6.818 4.661 1.00 0.21 C ATOM 268 O VAL A 17 0.701 6.534 5.782 1.00 0.26 O ATOM 269 CB VAL A 17 -0.204 8.963 4.520 1.00 0.25 C ATOM 270 CG1 VAL A 17 0.929 9.745 5.164 1.00 0.28 C ATOM 271 CG2 VAL A 17 -1.030 9.863 3.600 1.00 0.27 C ATOM 0 H VAL A 17 -1.662 7.316 3.380 1.00 0.20 H new ATOM 0 HA VAL A 17 1.017 8.125 2.970 1.00 0.21 H new ATOM 0 HB VAL A 17 -0.853 8.595 5.314 1.00 0.25 H new ATOM 0 HG11 VAL A 17 0.520 10.596 5.709 1.00 0.28 H new ATOM 0 HG12 VAL A 17 1.471 9.099 5.854 1.00 0.28 H new ATOM 0 HG13 VAL A 17 1.610 10.102 4.391 1.00 0.28 H new ATOM 0 HG21 VAL A 17 -1.407 10.714 4.167 1.00 0.27 H new ATOM 0 HG22 VAL A 17 -0.404 10.220 2.783 1.00 0.27 H new ATOM 0 HG23 VAL A 17 -1.868 9.297 3.194 1.00 0.27 H new ATOM 281 N ILE A 18 2.238 6.312 4.153 1.00 0.20 N ATOM 282 CA ILE A 18 3.040 5.339 4.870 1.00 0.22 C ATOM 283 C ILE A 18 4.219 6.006 5.566 1.00 0.20 C ATOM 284 O ILE A 18 5.127 6.529 4.924 1.00 0.21 O ATOM 285 CB ILE A 18 3.531 4.211 3.925 1.00 0.26 C ATOM 286 CG1 ILE A 18 2.360 3.291 3.571 1.00 0.42 C ATOM 287 CG2 ILE A 18 4.668 3.417 4.556 1.00 0.25 C ATOM 288 CD1 ILE A 18 2.760 2.071 2.770 1.00 0.77 C ATOM 0 H ILE A 18 2.608 6.565 3.237 1.00 0.20 H new ATOM 0 HA ILE A 18 2.405 4.889 5.633 1.00 0.22 H new ATOM 0 HB ILE A 18 3.917 4.666 3.013 1.00 0.26 H new ATOM 0 HG12 ILE A 18 1.875 2.966 4.491 1.00 0.42 H new ATOM 0 HG13 ILE A 18 1.622 3.860 3.005 1.00 0.42 H new ATOM 0 HG21 ILE A 18 4.990 2.634 3.869 1.00 0.25 H new ATOM 0 HG22 ILE A 18 5.505 4.083 4.765 1.00 0.25 H new ATOM 0 HG23 ILE A 18 4.324 2.965 5.486 1.00 0.25 H new ATOM 0 HD11 ILE A 18 1.876 1.469 2.558 1.00 0.77 H new ATOM 0 HD12 ILE A 18 3.218 2.386 1.832 1.00 0.77 H new ATOM 0 HD13 ILE A 18 3.474 1.478 3.342 1.00 0.77 H new ATOM 300 N PRO A 19 4.183 6.038 6.903 1.00 0.23 N ATOM 301 CA PRO A 19 5.280 6.545 7.719 1.00 0.26 C ATOM 302 C PRO A 19 6.650 6.019 7.306 1.00 0.24 C ATOM 303 O PRO A 19 6.793 4.896 6.813 1.00 0.23 O ATOM 304 CB PRO A 19 4.933 6.027 9.102 1.00 0.29 C ATOM 305 CG PRO A 19 3.451 6.051 9.120 1.00 0.32 C ATOM 306 CD PRO A 19 3.036 5.623 7.738 1.00 0.29 C ATOM 0 HA PRO A 19 5.366 7.628 7.634 1.00 0.26 H new ATOM 0 HB2 PRO A 19 5.320 5.021 9.262 1.00 0.29 H new ATOM 0 HB3 PRO A 19 5.354 6.659 9.884 1.00 0.29 H new ATOM 0 HG2 PRO A 19 3.055 5.375 9.878 1.00 0.32 H new ATOM 0 HG3 PRO A 19 3.075 7.047 9.354 1.00 0.32 H new ATOM 0 HD2 PRO A 19 2.865 4.548 7.683 1.00 0.29 H new ATOM 0 HD3 PRO A 19 2.112 6.109 7.425 1.00 0.29 H new ATOM 314 N LYS A 20 7.659 6.834 7.545 1.00 0.27 N ATOM 315 CA LYS A 20 9.038 6.458 7.279 1.00 0.28 C ATOM 316 C LYS A 20 9.472 5.301 8.161 1.00 0.25 C ATOM 317 O LYS A 20 10.517 4.742 7.934 1.00 0.26 O ATOM 318 CB LYS A 20 10.010 7.636 7.449 1.00 0.35 C ATOM 319 CG LYS A 20 9.806 8.456 8.713 1.00 0.40 C ATOM 320 CD LYS A 20 8.642 9.423 8.575 1.00 0.55 C ATOM 321 CE LYS A 20 9.019 10.679 7.786 1.00 0.77 C ATOM 322 NZ LYS A 20 9.281 10.414 6.339 1.00 1.57 N ATOM 0 H LYS A 20 7.549 7.773 7.928 1.00 0.27 H new ATOM 0 HA LYS A 20 9.074 6.144 6.236 1.00 0.28 H new ATOM 0 HB2 LYS A 20 11.030 7.251 7.444 1.00 0.35 H new ATOM 0 HB3 LYS A 20 9.914 8.295 6.586 1.00 0.35 H new ATOM 0 HG2 LYS A 20 9.626 7.788 9.555 1.00 0.40 H new ATOM 0 HG3 LYS A 20 10.716 9.012 8.937 1.00 0.40 H new ATOM 0 HD2 LYS A 20 7.812 8.920 8.078 1.00 0.55 H new ATOM 0 HD3 LYS A 20 8.293 9.711 9.567 1.00 0.55 H new ATOM 0 HE2 LYS A 20 8.215 11.410 7.874 1.00 0.77 H new ATOM 0 HE3 LYS A 20 9.907 11.127 8.232 1.00 0.77 H new ATOM 0 HZ1 LYS A 20 9.246 11.309 5.810 1.00 1.57 H new ATOM 0 HZ2 LYS A 20 10.222 9.984 6.230 1.00 1.57 H new ATOM 0 HZ3 LYS A 20 8.558 9.764 5.969 1.00 1.57 H new ATOM 336 N GLU A 21 8.701 4.964 9.184 1.00 0.24 N ATOM 337 CA GLU A 21 9.030 3.810 10.017 1.00 0.24 C ATOM 338 C GLU A 21 8.947 2.503 9.215 1.00 0.22 C ATOM 339 O GLU A 21 9.617 1.518 9.543 1.00 0.23 O ATOM 340 CB GLU A 21 8.130 3.755 11.244 1.00 0.27 C ATOM 341 CG GLU A 21 6.661 3.586 10.928 1.00 0.35 C ATOM 342 CD GLU A 21 5.798 3.732 12.160 1.00 0.73 C ATOM 343 OE1 GLU A 21 5.571 2.723 12.856 1.00 1.30 O ATOM 344 OE2 GLU A 21 5.352 4.864 12.448 1.00 1.32 O ATOM 0 H GLU A 21 7.854 5.463 9.457 1.00 0.24 H new ATOM 0 HA GLU A 21 10.060 3.925 10.356 1.00 0.24 H new ATOM 0 HB2 GLU A 21 8.451 2.929 11.879 1.00 0.27 H new ATOM 0 HB3 GLU A 21 8.263 4.671 11.820 1.00 0.27 H new ATOM 0 HG2 GLU A 21 6.362 4.326 10.186 1.00 0.35 H new ATOM 0 HG3 GLU A 21 6.496 2.604 10.484 1.00 0.35 H new ATOM 351 N ILE A 22 8.188 2.510 8.122 1.00 0.23 N ATOM 352 CA ILE A 22 8.067 1.324 7.295 1.00 0.25 C ATOM 353 C ILE A 22 9.186 1.327 6.262 1.00 0.24 C ATOM 354 O ILE A 22 9.852 0.317 6.054 1.00 0.25 O ATOM 355 CB ILE A 22 6.693 1.225 6.598 1.00 0.29 C ATOM 356 CG1 ILE A 22 5.582 1.197 7.648 1.00 0.27 C ATOM 357 CG2 ILE A 22 6.622 -0.020 5.723 1.00 0.35 C ATOM 358 CD1 ILE A 22 5.003 2.553 7.975 1.00 0.25 C ATOM 0 H ILE A 22 7.655 3.316 7.795 1.00 0.23 H new ATOM 0 HA ILE A 22 8.150 0.451 7.942 1.00 0.25 H new ATOM 0 HB ILE A 22 6.561 2.099 5.960 1.00 0.29 H new ATOM 0 HG12 ILE A 22 4.781 0.548 7.295 1.00 0.27 H new ATOM 0 HG13 ILE A 22 5.973 0.752 8.563 1.00 0.27 H new ATOM 0 HG21 ILE A 22 5.646 -0.071 5.241 1.00 0.35 H new ATOM 0 HG22 ILE A 22 7.401 0.026 4.962 1.00 0.35 H new ATOM 0 HG23 ILE A 22 6.769 -0.907 6.339 1.00 0.35 H new ATOM 0 HD11 ILE A 22 4.222 2.443 8.727 1.00 0.25 H new ATOM 0 HD12 ILE A 22 5.790 3.201 8.361 1.00 0.25 H new ATOM 0 HD13 ILE A 22 4.579 2.994 7.073 1.00 0.25 H new ATOM 370 N ARG A 23 9.414 2.496 5.651 1.00 0.23 N ATOM 371 CA ARG A 23 10.561 2.705 4.762 1.00 0.22 C ATOM 372 C ARG A 23 11.837 2.497 5.559 1.00 0.23 C ATOM 373 O ARG A 23 12.890 2.151 5.032 1.00 0.24 O ATOM 374 CB ARG A 23 10.489 4.107 4.129 1.00 0.24 C ATOM 375 CG ARG A 23 10.737 5.262 5.063 1.00 0.48 C ATOM 376 CD ARG A 23 12.198 5.521 5.340 1.00 0.39 C ATOM 377 NE ARG A 23 12.521 6.947 5.359 1.00 0.82 N ATOM 378 CZ ARG A 23 13.639 7.445 5.887 1.00 0.96 C ATOM 379 NH1 ARG A 23 14.541 6.630 6.418 1.00 1.34 N ATOM 380 NH2 ARG A 23 13.870 8.751 5.855 1.00 1.50 N ATOM 0 H ARG A 23 8.815 3.315 5.758 1.00 0.23 H new ATOM 0 HA ARG A 23 10.548 1.987 3.942 1.00 0.22 H new ATOM 0 HB2 ARG A 23 11.217 4.157 3.319 1.00 0.24 H new ATOM 0 HB3 ARG A 23 9.503 4.232 3.681 1.00 0.24 H new ATOM 0 HG2 ARG A 23 10.293 6.162 4.638 1.00 0.48 H new ATOM 0 HG3 ARG A 23 10.227 5.070 6.007 1.00 0.48 H new ATOM 0 HD2 ARG A 23 12.466 5.078 6.299 1.00 0.39 H new ATOM 0 HD3 ARG A 23 12.802 5.025 4.580 1.00 0.39 H new ATOM 0 HE ARG A 23 11.853 7.597 4.945 1.00 0.82 H new ATOM 0 HH11 ARG A 23 14.379 5.623 6.422 1.00 1.34 H new ATOM 0 HH12 ARG A 23 15.397 7.010 6.822 1.00 1.34 H new ATOM 0 HH21 ARG A 23 13.191 9.379 5.425 1.00 1.50 H new ATOM 0 HH22 ARG A 23 14.727 9.127 6.260 1.00 1.50 H new ATOM 394 N ARG A 24 11.701 2.729 6.846 1.00 0.24 N ATOM 395 CA ARG A 24 12.752 2.493 7.811 1.00 0.27 C ATOM 396 C ARG A 24 13.090 1.018 7.882 1.00 0.29 C ATOM 397 O ARG A 24 14.256 0.649 7.762 1.00 0.32 O ATOM 398 CB ARG A 24 12.319 2.998 9.179 1.00 0.31 C ATOM 399 CG ARG A 24 13.327 2.803 10.286 1.00 0.39 C ATOM 400 CD ARG A 24 12.768 3.329 11.600 1.00 0.45 C ATOM 401 NE ARG A 24 13.811 3.517 12.608 1.00 1.39 N ATOM 402 CZ ARG A 24 13.773 4.459 13.553 1.00 1.90 C ATOM 403 NH1 ARG A 24 12.715 5.253 13.667 1.00 1.52 N ATOM 404 NH2 ARG A 24 14.777 4.588 14.406 1.00 2.96 N ATOM 0 H ARG A 24 10.842 3.093 7.258 1.00 0.24 H new ATOM 0 HA ARG A 24 13.644 3.034 7.495 1.00 0.27 H new ATOM 0 HB2 ARG A 24 12.091 4.061 9.100 1.00 0.31 H new ATOM 0 HB3 ARG A 24 11.394 2.493 9.459 1.00 0.31 H new ATOM 0 HG2 ARG A 24 13.572 1.745 10.383 1.00 0.39 H new ATOM 0 HG3 ARG A 24 14.253 3.323 10.041 1.00 0.39 H new ATOM 0 HD2 ARG A 24 12.261 4.277 11.423 1.00 0.45 H new ATOM 0 HD3 ARG A 24 12.020 2.633 11.979 1.00 0.45 H new ATOM 0 HE ARG A 24 14.616 2.891 12.588 1.00 1.39 H new ATOM 0 HH11 ARG A 24 11.925 5.145 13.030 1.00 1.52 H new ATOM 0 HH12 ARG A 24 12.692 5.971 14.391 1.00 1.52 H new ATOM 0 HH21 ARG A 24 15.583 3.966 14.342 1.00 2.96 H new ATOM 0 HH22 ARG A 24 14.744 5.309 15.127 1.00 2.96 H new ATOM 418 N THR A 25 12.085 0.158 8.081 1.00 0.29 N ATOM 419 CA THR A 25 12.305 -1.278 8.009 1.00 0.31 C ATOM 420 C THR A 25 12.756 -1.694 6.607 1.00 0.30 C ATOM 421 O THR A 25 13.506 -2.658 6.440 1.00 0.33 O ATOM 422 CB THR A 25 11.012 -2.037 8.368 1.00 0.34 C ATOM 423 OG1 THR A 25 10.523 -1.603 9.645 1.00 0.36 O ATOM 424 CG2 THR A 25 11.246 -3.537 8.395 1.00 0.40 C ATOM 0 H THR A 25 11.125 0.433 8.290 1.00 0.29 H new ATOM 0 HA THR A 25 13.089 -1.530 8.723 1.00 0.31 H new ATOM 0 HB THR A 25 10.270 -1.817 7.600 1.00 0.34 H new ATOM 0 HG1 THR A 25 9.701 -2.090 9.863 1.00 0.36 H new ATOM 0 HG21 THR A 25 10.317 -4.046 8.651 1.00 0.40 H new ATOM 0 HG22 THR A 25 11.584 -3.870 7.414 1.00 0.40 H new ATOM 0 HG23 THR A 25 12.006 -3.773 9.140 1.00 0.40 H new ATOM 432 N LEU A 26 12.300 -0.948 5.603 1.00 0.27 N ATOM 433 CA LEU A 26 12.736 -1.154 4.225 1.00 0.28 C ATOM 434 C LEU A 26 14.225 -0.878 4.106 1.00 0.31 C ATOM 435 O LEU A 26 14.876 -1.331 3.166 1.00 0.36 O ATOM 436 CB LEU A 26 11.965 -0.227 3.272 1.00 0.25 C ATOM 437 CG LEU A 26 10.796 -0.866 2.510 1.00 0.26 C ATOM 438 CD1 LEU A 26 11.293 -2.008 1.646 1.00 0.32 C ATOM 439 CD2 LEU A 26 9.715 -1.354 3.463 1.00 0.26 C ATOM 0 H LEU A 26 11.625 -0.192 5.720 1.00 0.27 H new ATOM 0 HA LEU A 26 12.535 -2.190 3.951 1.00 0.28 H new ATOM 0 HB2 LEU A 26 11.580 0.615 3.848 1.00 0.25 H new ATOM 0 HB3 LEU A 26 12.668 0.179 2.545 1.00 0.25 H new ATOM 0 HG LEU A 26 10.356 -0.103 1.868 1.00 0.26 H new ATOM 0 HD11 LEU A 26 10.453 -2.452 1.111 1.00 0.32 H new ATOM 0 HD12 LEU A 26 12.022 -1.631 0.928 1.00 0.32 H new ATOM 0 HD13 LEU A 26 11.762 -2.764 2.276 1.00 0.32 H new ATOM 0 HD21 LEU A 26 8.901 -1.801 2.892 1.00 0.26 H new ATOM 0 HD22 LEU A 26 10.135 -2.098 4.140 1.00 0.26 H new ATOM 0 HD23 LEU A 26 9.333 -0.513 4.041 1.00 0.26 H new ATOM 451 N ARG A 27 14.751 -0.151 5.095 1.00 0.32 N ATOM 452 CA ARG A 27 16.145 0.249 5.136 1.00 0.40 C ATOM 453 C ARG A 27 16.431 1.246 4.023 1.00 0.39 C ATOM 454 O ARG A 27 17.573 1.435 3.595 1.00 0.46 O ATOM 455 CB ARG A 27 17.032 -0.978 5.041 1.00 0.51 C ATOM 456 CG ARG A 27 16.841 -1.922 6.212 1.00 0.78 C ATOM 457 CD ARG A 27 17.276 -1.301 7.527 1.00 0.90 C ATOM 458 NE ARG A 27 16.909 -2.137 8.668 1.00 1.76 N ATOM 459 CZ ARG A 27 17.778 -2.636 9.544 1.00 2.28 C ATOM 460 NH1 ARG A 27 19.081 -2.471 9.361 1.00 2.36 N ATOM 461 NH2 ARG A 27 17.342 -3.325 10.590 1.00 3.20 N ATOM 0 H ARG A 27 14.209 0.176 5.895 1.00 0.32 H new ATOM 0 HA ARG A 27 16.362 0.743 6.083 1.00 0.40 H new ATOM 0 HB2 ARG A 27 16.817 -1.507 4.113 1.00 0.51 H new ATOM 0 HB3 ARG A 27 18.075 -0.666 4.996 1.00 0.51 H new ATOM 0 HG2 ARG A 27 15.792 -2.209 6.277 1.00 0.78 H new ATOM 0 HG3 ARG A 27 17.411 -2.835 6.037 1.00 0.78 H new ATOM 0 HD2 ARG A 27 18.356 -1.150 7.519 1.00 0.90 H new ATOM 0 HD3 ARG A 27 16.818 -0.318 7.634 1.00 0.90 H new ATOM 0 HE ARG A 27 15.921 -2.352 8.802 1.00 1.76 H new ATOM 0 HH11 ARG A 27 19.421 -1.960 8.546 1.00 2.36 H new ATOM 0 HH12 ARG A 27 19.743 -2.855 10.035 1.00 2.36 H new ATOM 0 HH21 ARG A 27 16.341 -3.472 10.723 1.00 3.20 H new ATOM 0 HH22 ARG A 27 18.007 -3.708 11.262 1.00 3.20 H new ATOM 475 N ILE A 28 15.367 1.904 3.589 1.00 0.33 N ATOM 476 CA ILE A 28 15.421 2.868 2.509 1.00 0.33 C ATOM 477 C ILE A 28 14.851 4.193 3.023 1.00 0.31 C ATOM 478 O ILE A 28 14.689 4.354 4.230 1.00 0.34 O ATOM 479 CB ILE A 28 14.647 2.324 1.279 1.00 0.36 C ATOM 480 CG1 ILE A 28 14.991 0.843 1.089 1.00 0.44 C ATOM 481 CG2 ILE A 28 15.018 3.093 0.013 1.00 0.38 C ATOM 482 CD1 ILE A 28 14.200 0.151 0.008 1.00 0.48 C ATOM 0 H ILE A 28 14.434 1.780 3.983 1.00 0.33 H new ATOM 0 HA ILE A 28 16.447 3.038 2.183 1.00 0.33 H new ATOM 0 HB ILE A 28 13.579 2.448 1.456 1.00 0.36 H new ATOM 0 HG12 ILE A 28 16.052 0.757 0.857 1.00 0.44 H new ATOM 0 HG13 ILE A 28 14.827 0.321 2.032 1.00 0.44 H new ATOM 0 HG21 ILE A 28 14.461 2.691 -0.833 1.00 0.38 H new ATOM 0 HG22 ILE A 28 14.771 4.147 0.142 1.00 0.38 H new ATOM 0 HG23 ILE A 28 16.087 2.991 -0.175 1.00 0.38 H new ATOM 0 HD11 ILE A 28 14.508 -0.892 -0.057 1.00 0.48 H new ATOM 0 HD12 ILE A 28 13.137 0.201 0.246 1.00 0.48 H new ATOM 0 HD13 ILE A 28 14.382 0.643 -0.947 1.00 0.48 H new ATOM 494 N ARG A 29 14.572 5.141 2.144 1.00 0.32 N ATOM 495 CA ARG A 29 14.120 6.459 2.570 1.00 0.32 C ATOM 496 C ARG A 29 13.068 7.031 1.638 1.00 0.30 C ATOM 497 O ARG A 29 12.408 6.294 0.906 1.00 0.28 O ATOM 498 CB ARG A 29 15.321 7.404 2.708 1.00 0.40 C ATOM 499 CG ARG A 29 16.291 7.368 1.536 1.00 0.58 C ATOM 500 CD ARG A 29 15.664 7.917 0.273 1.00 0.64 C ATOM 501 NE ARG A 29 16.609 7.934 -0.838 1.00 0.92 N ATOM 502 CZ ARG A 29 16.656 8.891 -1.762 1.00 1.58 C ATOM 503 NH1 ARG A 29 15.811 9.913 -1.717 1.00 2.40 N ATOM 504 NH2 ARG A 29 17.566 8.833 -2.725 1.00 1.98 N ATOM 0 H ARG A 29 14.650 5.025 1.134 1.00 0.32 H new ATOM 0 HA ARG A 29 13.643 6.354 3.544 1.00 0.32 H new ATOM 0 HB2 ARG A 29 14.953 8.423 2.828 1.00 0.40 H new ATOM 0 HB3 ARG A 29 15.863 7.152 3.619 1.00 0.40 H new ATOM 0 HG2 ARG A 29 17.181 7.948 1.782 1.00 0.58 H new ATOM 0 HG3 ARG A 29 16.616 6.342 1.364 1.00 0.58 H new ATOM 0 HD2 ARG A 29 14.798 7.312 0.004 1.00 0.64 H new ATOM 0 HD3 ARG A 29 15.301 8.928 0.457 1.00 0.64 H new ATOM 0 HE ARG A 29 17.275 7.165 -0.911 1.00 0.92 H new ATOM 0 HH11 ARG A 29 15.118 9.970 -0.970 1.00 2.40 H new ATOM 0 HH12 ARG A 29 15.854 10.642 -2.429 1.00 2.40 H new ATOM 0 HH21 ARG A 29 18.227 8.057 -2.756 1.00 1.98 H new ATOM 0 HH22 ARG A 29 17.605 9.565 -3.435 1.00 1.98 H new ATOM 518 N GLU A 30 12.925 8.353 1.674 1.00 0.34 N ATOM 519 CA GLU A 30 11.955 9.071 0.854 1.00 0.36 C ATOM 520 C GLU A 30 12.372 9.118 -0.612 1.00 0.35 C ATOM 521 O GLU A 30 12.348 10.159 -1.268 1.00 0.44 O ATOM 522 CB GLU A 30 11.757 10.470 1.411 1.00 0.45 C ATOM 523 CG GLU A 30 10.815 10.488 2.595 1.00 0.50 C ATOM 524 CD GLU A 30 11.401 9.864 3.852 1.00 0.62 C ATOM 525 OE1 GLU A 30 12.386 10.410 4.387 1.00 1.08 O ATOM 526 OE2 GLU A 30 10.877 8.834 4.322 1.00 1.23 O ATOM 0 H GLU A 30 13.482 8.959 2.276 1.00 0.34 H new ATOM 0 HA GLU A 30 11.008 8.532 0.892 1.00 0.36 H new ATOM 0 HB2 GLU A 30 12.722 10.879 1.711 1.00 0.45 H new ATOM 0 HB3 GLU A 30 11.365 11.119 0.628 1.00 0.45 H new ATOM 0 HG2 GLU A 30 10.534 11.519 2.809 1.00 0.50 H new ATOM 0 HG3 GLU A 30 9.901 9.957 2.329 1.00 0.50 H new ATOM 533 N GLY A 31 12.762 7.949 -1.094 1.00 0.30 N ATOM 534 CA GLY A 31 13.103 7.734 -2.482 1.00 0.30 C ATOM 535 C GLY A 31 13.099 6.252 -2.789 1.00 0.30 C ATOM 536 O GLY A 31 13.775 5.780 -3.704 1.00 0.36 O ATOM 0 H GLY A 31 12.850 7.112 -0.518 1.00 0.30 H new ATOM 0 HA2 GLY A 31 12.390 8.249 -3.125 1.00 0.30 H new ATOM 0 HA3 GLY A 31 14.086 8.156 -2.694 1.00 0.30 H new ATOM 540 N ASP A 32 12.329 5.527 -1.987 1.00 0.28 N ATOM 541 CA ASP A 32 12.093 4.104 -2.191 1.00 0.31 C ATOM 542 C ASP A 32 10.908 3.919 -3.115 1.00 0.28 C ATOM 543 O ASP A 32 9.867 4.558 -2.939 1.00 0.31 O ATOM 544 CB ASP A 32 11.806 3.420 -0.852 1.00 0.38 C ATOM 545 CG ASP A 32 11.493 1.941 -0.998 1.00 0.43 C ATOM 546 OD1 ASP A 32 12.190 1.259 -1.780 1.00 1.26 O ATOM 547 OD2 ASP A 32 10.576 1.459 -0.305 1.00 1.07 O ATOM 0 H ASP A 32 11.849 5.912 -1.173 1.00 0.28 H new ATOM 0 HA ASP A 32 12.981 3.656 -2.636 1.00 0.31 H new ATOM 0 HB2 ASP A 32 12.668 3.541 -0.196 1.00 0.38 H new ATOM 0 HB3 ASP A 32 10.966 3.918 -0.368 1.00 0.38 H new ATOM 552 N PRO A 33 11.056 3.092 -4.139 1.00 0.23 N ATOM 553 CA PRO A 33 9.966 2.754 -5.014 1.00 0.26 C ATOM 554 C PRO A 33 9.121 1.660 -4.412 1.00 0.47 C ATOM 555 O PRO A 33 9.593 0.884 -3.599 1.00 1.30 O ATOM 556 CB PRO A 33 10.638 2.253 -6.290 1.00 0.22 C ATOM 557 CG PRO A 33 12.109 2.193 -5.997 1.00 0.14 C ATOM 558 CD PRO A 33 12.281 2.397 -4.514 1.00 0.23 C ATOM 0 HA PRO A 33 9.305 3.602 -5.192 1.00 0.26 H new ATOM 0 HB2 PRO A 33 10.257 1.271 -6.570 1.00 0.22 H new ATOM 0 HB3 PRO A 33 10.435 2.923 -7.125 1.00 0.22 H new ATOM 0 HG2 PRO A 33 12.523 1.232 -6.303 1.00 0.14 H new ATOM 0 HG3 PRO A 33 12.643 2.962 -6.555 1.00 0.14 H new ATOM 0 HD2 PRO A 33 12.387 1.450 -3.985 1.00 0.23 H new ATOM 0 HD3 PRO A 33 13.168 2.989 -4.287 1.00 0.23 H new ATOM 566 N LEU A 34 7.868 1.612 -4.777 1.00 0.29 N ATOM 567 CA LEU A 34 7.055 0.497 -4.392 1.00 0.21 C ATOM 568 C LEU A 34 6.145 0.115 -5.532 1.00 0.22 C ATOM 569 O LEU A 34 5.738 0.951 -6.315 1.00 0.27 O ATOM 570 CB LEU A 34 6.228 0.796 -3.139 1.00 0.23 C ATOM 571 CG LEU A 34 6.921 1.654 -2.084 1.00 0.31 C ATOM 572 CD1 LEU A 34 6.341 3.057 -2.080 1.00 0.38 C ATOM 573 CD2 LEU A 34 6.803 1.014 -0.710 1.00 0.38 C ATOM 0 H LEU A 34 7.395 2.324 -5.334 1.00 0.29 H new ATOM 0 HA LEU A 34 7.720 -0.334 -4.154 1.00 0.21 H new ATOM 0 HB2 LEU A 34 5.309 1.296 -3.443 1.00 0.23 H new ATOM 0 HB3 LEU A 34 5.940 -0.150 -2.681 1.00 0.23 H new ATOM 0 HG LEU A 34 7.980 1.722 -2.333 1.00 0.31 H new ATOM 0 HD11 LEU A 34 6.845 3.657 -1.322 1.00 0.38 H new ATOM 0 HD12 LEU A 34 6.485 3.513 -3.059 1.00 0.38 H new ATOM 0 HD13 LEU A 34 5.275 3.010 -1.855 1.00 0.38 H new ATOM 0 HD21 LEU A 34 7.303 1.641 0.028 1.00 0.38 H new ATOM 0 HD22 LEU A 34 5.751 0.912 -0.445 1.00 0.38 H new ATOM 0 HD23 LEU A 34 7.270 0.029 -0.726 1.00 0.38 H new ATOM 585 N GLU A 35 5.804 -1.142 -5.560 1.00 0.20 N ATOM 586 CA GLU A 35 4.963 -1.685 -6.601 1.00 0.20 C ATOM 587 C GLU A 35 3.611 -1.904 -6.019 1.00 0.16 C ATOM 588 O GLU A 35 3.468 -2.752 -5.153 1.00 0.16 O ATOM 589 CB GLU A 35 5.491 -3.003 -7.168 1.00 0.22 C ATOM 590 CG GLU A 35 4.601 -3.583 -8.265 1.00 0.23 C ATOM 591 CD GLU A 35 5.138 -4.875 -8.847 1.00 0.34 C ATOM 592 OE1 GLU A 35 6.101 -5.431 -8.289 1.00 1.12 O ATOM 593 OE2 GLU A 35 4.577 -5.357 -9.849 1.00 0.95 O ATOM 0 H GLU A 35 6.099 -1.825 -4.862 1.00 0.20 H new ATOM 0 HA GLU A 35 4.942 -0.977 -7.429 1.00 0.20 H new ATOM 0 HB2 GLU A 35 6.493 -2.844 -7.567 1.00 0.22 H new ATOM 0 HB3 GLU A 35 5.581 -3.729 -6.360 1.00 0.22 H new ATOM 0 HG2 GLU A 35 3.605 -3.761 -7.860 1.00 0.23 H new ATOM 0 HG3 GLU A 35 4.494 -2.849 -9.064 1.00 0.23 H new ATOM 600 N ILE A 36 2.650 -1.117 -6.467 1.00 0.14 N ATOM 601 CA ILE A 36 1.291 -1.190 -5.984 1.00 0.11 C ATOM 602 C ILE A 36 0.532 -2.226 -6.791 1.00 0.10 C ATOM 603 O ILE A 36 0.268 -2.029 -7.979 1.00 0.14 O ATOM 604 CB ILE A 36 0.575 0.186 -6.111 1.00 0.12 C ATOM 605 CG1 ILE A 36 1.148 1.216 -5.130 1.00 0.15 C ATOM 606 CG2 ILE A 36 -0.925 0.050 -5.900 1.00 0.14 C ATOM 607 CD1 ILE A 36 2.524 1.740 -5.489 1.00 0.39 C ATOM 0 H ILE A 36 2.796 -0.405 -7.182 1.00 0.14 H new ATOM 0 HA ILE A 36 1.313 -1.470 -4.931 1.00 0.11 H new ATOM 0 HB ILE A 36 0.755 0.542 -7.125 1.00 0.12 H new ATOM 0 HG12 ILE A 36 0.459 2.058 -5.066 1.00 0.15 H new ATOM 0 HG13 ILE A 36 1.194 0.766 -4.138 1.00 0.15 H new ATOM 0 HG21 ILE A 36 -1.396 1.028 -5.995 1.00 0.14 H new ATOM 0 HG22 ILE A 36 -1.338 -0.626 -6.649 1.00 0.14 H new ATOM 0 HG23 ILE A 36 -1.118 -0.350 -4.905 1.00 0.14 H new ATOM 0 HD11 ILE A 36 2.846 2.462 -4.738 1.00 0.39 H new ATOM 0 HD12 ILE A 36 3.232 0.912 -5.522 1.00 0.39 H new ATOM 0 HD13 ILE A 36 2.486 2.224 -6.465 1.00 0.39 H new ATOM 619 N PHE A 37 0.229 -3.339 -6.160 1.00 0.09 N ATOM 620 CA PHE A 37 -0.551 -4.375 -6.798 1.00 0.10 C ATOM 621 C PHE A 37 -1.370 -5.116 -5.759 1.00 0.09 C ATOM 622 O PHE A 37 -0.848 -5.558 -4.747 1.00 0.09 O ATOM 623 CB PHE A 37 0.354 -5.326 -7.603 1.00 0.12 C ATOM 624 CG PHE A 37 0.768 -6.591 -6.887 1.00 0.16 C ATOM 625 CD1 PHE A 37 1.922 -6.631 -6.124 1.00 1.10 C ATOM 626 CD2 PHE A 37 0.000 -7.743 -6.989 1.00 1.12 C ATOM 627 CE1 PHE A 37 2.300 -7.794 -5.474 1.00 1.15 C ATOM 628 CE2 PHE A 37 0.375 -8.905 -6.343 1.00 1.12 C ATOM 629 CZ PHE A 37 1.526 -8.931 -5.585 1.00 0.35 C ATOM 0 H PHE A 37 0.512 -3.550 -5.203 1.00 0.09 H new ATOM 0 HA PHE A 37 -1.241 -3.918 -7.507 1.00 0.10 H new ATOM 0 HB2 PHE A 37 -0.164 -5.602 -8.521 1.00 0.12 H new ATOM 0 HB3 PHE A 37 1.253 -4.784 -7.895 1.00 0.12 H new ATOM 0 HD1 PHE A 37 2.534 -5.746 -6.035 1.00 1.10 H new ATOM 0 HD2 PHE A 37 -0.903 -7.731 -7.581 1.00 1.12 H new ATOM 0 HE1 PHE A 37 3.202 -7.811 -4.880 1.00 1.15 H new ATOM 0 HE2 PHE A 37 -0.233 -9.793 -6.432 1.00 1.12 H new ATOM 0 HZ PHE A 37 1.821 -9.839 -5.079 1.00 0.35 H new ATOM 639 N VAL A 38 -2.657 -5.221 -5.997 1.00 0.09 N ATOM 640 CA VAL A 38 -3.534 -5.908 -5.067 1.00 0.09 C ATOM 641 C VAL A 38 -3.475 -7.411 -5.285 1.00 0.11 C ATOM 642 O VAL A 38 -3.554 -7.904 -6.412 1.00 0.17 O ATOM 643 CB VAL A 38 -4.990 -5.387 -5.167 1.00 0.11 C ATOM 644 CG1 VAL A 38 -5.391 -5.170 -6.620 1.00 0.16 C ATOM 645 CG2 VAL A 38 -5.970 -6.337 -4.484 1.00 0.11 C ATOM 0 H VAL A 38 -3.122 -4.842 -6.822 1.00 0.09 H new ATOM 0 HA VAL A 38 -3.182 -5.695 -4.058 1.00 0.09 H new ATOM 0 HB VAL A 38 -5.030 -4.429 -4.648 1.00 0.11 H new ATOM 0 HG11 VAL A 38 -6.417 -4.804 -6.664 1.00 0.16 H new ATOM 0 HG12 VAL A 38 -4.725 -4.437 -7.076 1.00 0.16 H new ATOM 0 HG13 VAL A 38 -5.319 -6.113 -7.162 1.00 0.16 H new ATOM 0 HG21 VAL A 38 -6.982 -5.942 -4.573 1.00 0.11 H new ATOM 0 HG22 VAL A 38 -5.920 -7.316 -4.961 1.00 0.11 H new ATOM 0 HG23 VAL A 38 -5.709 -6.433 -3.430 1.00 0.11 H new ATOM 655 N ASP A 39 -3.325 -8.116 -4.174 1.00 0.09 N ATOM 656 CA ASP A 39 -3.114 -9.554 -4.181 1.00 0.12 C ATOM 657 C ASP A 39 -4.413 -10.309 -4.372 1.00 0.16 C ATOM 658 O ASP A 39 -4.516 -11.188 -5.225 1.00 0.18 O ATOM 659 CB ASP A 39 -2.493 -10.001 -2.858 1.00 0.19 C ATOM 660 CG ASP A 39 -2.014 -11.439 -2.896 1.00 0.23 C ATOM 661 OD1 ASP A 39 -0.914 -11.697 -3.431 1.00 1.04 O ATOM 662 OD2 ASP A 39 -2.734 -12.324 -2.392 1.00 1.11 O ATOM 0 H ASP A 39 -3.346 -7.705 -3.241 1.00 0.09 H new ATOM 0 HA ASP A 39 -2.447 -9.776 -5.014 1.00 0.12 H new ATOM 0 HB2 ASP A 39 -1.654 -9.349 -2.616 1.00 0.19 H new ATOM 0 HB3 ASP A 39 -3.226 -9.887 -2.060 1.00 0.19 H new ATOM 667 N ARG A 40 -5.404 -9.948 -3.573 1.00 0.32 N ATOM 668 CA ARG A 40 -6.600 -10.757 -3.451 1.00 0.43 C ATOM 669 C ARG A 40 -7.882 -9.938 -3.530 1.00 0.43 C ATOM 670 O ARG A 40 -8.353 -9.612 -4.620 1.00 0.49 O ATOM 671 CB ARG A 40 -6.532 -11.568 -2.156 1.00 0.53 C ATOM 672 CG ARG A 40 -5.638 -10.933 -1.108 1.00 0.53 C ATOM 673 CD ARG A 40 -4.979 -11.981 -0.234 1.00 0.72 C ATOM 674 NE ARG A 40 -5.945 -12.739 0.558 1.00 1.09 N ATOM 675 CZ ARG A 40 -5.618 -13.760 1.345 1.00 1.66 C ATOM 676 NH1 ARG A 40 -4.356 -14.162 1.433 1.00 2.22 N ATOM 677 NH2 ARG A 40 -6.561 -14.380 2.042 1.00 2.29 N ATOM 0 H ARG A 40 -5.402 -9.103 -3.002 1.00 0.32 H new ATOM 0 HA ARG A 40 -6.634 -11.436 -4.303 1.00 0.43 H new ATOM 0 HB2 ARG A 40 -7.537 -11.679 -1.750 1.00 0.53 H new ATOM 0 HB3 ARG A 40 -6.166 -12.570 -2.380 1.00 0.53 H new ATOM 0 HG2 ARG A 40 -4.872 -10.331 -1.597 1.00 0.53 H new ATOM 0 HG3 ARG A 40 -6.226 -10.257 -0.487 1.00 0.53 H new ATOM 0 HD2 ARG A 40 -4.411 -12.667 -0.862 1.00 0.72 H new ATOM 0 HD3 ARG A 40 -4.267 -11.496 0.434 1.00 0.72 H new ATOM 0 HE ARG A 40 -6.927 -12.469 0.504 1.00 1.09 H new ATOM 0 HH11 ARG A 40 -3.631 -13.687 0.895 1.00 2.22 H new ATOM 0 HH12 ARG A 40 -4.111 -14.946 2.038 1.00 2.22 H new ATOM 0 HH21 ARG A 40 -7.531 -14.073 1.973 1.00 2.29 H new ATOM 0 HH22 ARG A 40 -6.316 -15.164 2.647 1.00 2.29 H new ATOM 691 N ASP A 41 -8.437 -9.591 -2.380 1.00 0.47 N ATOM 692 CA ASP A 41 -9.730 -8.913 -2.344 1.00 0.52 C ATOM 693 C ASP A 41 -9.558 -7.409 -2.427 1.00 0.43 C ATOM 694 O ASP A 41 -9.889 -6.787 -3.434 1.00 0.50 O ATOM 695 CB ASP A 41 -10.502 -9.281 -1.073 1.00 0.57 C ATOM 696 CG ASP A 41 -11.823 -8.541 -0.965 1.00 0.96 C ATOM 697 OD1 ASP A 41 -12.838 -9.036 -1.498 1.00 1.34 O ATOM 698 OD2 ASP A 41 -11.850 -7.456 -0.351 1.00 1.53 O ATOM 0 H ASP A 41 -8.020 -9.764 -1.465 1.00 0.47 H new ATOM 0 HA ASP A 41 -10.302 -9.245 -3.211 1.00 0.52 H new ATOM 0 HB2 ASP A 41 -10.688 -10.355 -1.062 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -9.889 -9.055 -0.200 1.00 0.57 H new ATOM 703 N GLY A 42 -9.038 -6.836 -1.361 1.00 0.32 N ATOM 704 CA GLY A 42 -8.837 -5.406 -1.312 1.00 0.26 C ATOM 705 C GLY A 42 -7.528 -5.061 -0.657 1.00 0.18 C ATOM 706 O GLY A 42 -7.355 -3.970 -0.126 1.00 0.18 O ATOM 0 H GLY A 42 -8.749 -7.338 -0.521 1.00 0.32 H new ATOM 0 HA2 GLY A 42 -8.859 -4.999 -2.323 1.00 0.26 H new ATOM 0 HA3 GLY A 42 -9.655 -4.940 -0.763 1.00 0.26 H new ATOM 710 N GLU A 43 -6.612 -6.015 -0.674 1.00 0.15 N ATOM 711 CA GLU A 43 -5.298 -5.816 -0.093 1.00 0.12 C ATOM 712 C GLU A 43 -4.328 -5.390 -1.173 1.00 0.08 C ATOM 713 O GLU A 43 -4.038 -6.161 -2.085 1.00 0.09 O ATOM 714 CB GLU A 43 -4.791 -7.102 0.563 1.00 0.14 C ATOM 715 CG GLU A 43 -5.895 -7.984 1.109 1.00 0.53 C ATOM 716 CD GLU A 43 -5.446 -8.829 2.282 1.00 1.00 C ATOM 717 OE1 GLU A 43 -4.798 -9.862 2.058 1.00 1.97 O ATOM 718 OE2 GLU A 43 -5.738 -8.445 3.434 1.00 1.30 O ATOM 0 H GLU A 43 -6.756 -6.937 -1.086 1.00 0.15 H new ATOM 0 HA GLU A 43 -5.372 -5.041 0.670 1.00 0.12 H new ATOM 0 HB2 GLU A 43 -4.213 -7.669 -0.167 1.00 0.14 H new ATOM 0 HB3 GLU A 43 -4.111 -6.842 1.374 1.00 0.14 H new ATOM 0 HG2 GLU A 43 -6.734 -7.360 1.417 1.00 0.53 H new ATOM 0 HG3 GLU A 43 -6.258 -8.637 0.315 1.00 0.53 H new ATOM 725 N VAL A 44 -3.855 -4.164 -1.087 1.00 0.07 N ATOM 726 CA VAL A 44 -2.877 -3.669 -2.027 1.00 0.07 C ATOM 727 C VAL A 44 -1.490 -3.935 -1.495 1.00 0.07 C ATOM 728 O VAL A 44 -1.188 -3.634 -0.349 1.00 0.08 O ATOM 729 CB VAL A 44 -3.010 -2.166 -2.292 1.00 0.09 C ATOM 730 CG1 VAL A 44 -2.513 -1.844 -3.690 1.00 0.14 C ATOM 731 CG2 VAL A 44 -4.445 -1.696 -2.097 1.00 0.12 C ATOM 0 H VAL A 44 -4.134 -3.492 -0.373 1.00 0.07 H new ATOM 0 HA VAL A 44 -3.052 -4.192 -2.967 1.00 0.07 H new ATOM 0 HB VAL A 44 -2.394 -1.630 -1.570 1.00 0.09 H new ATOM 0 HG11 VAL A 44 -2.610 -0.774 -3.873 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -1.466 -2.134 -3.780 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -3.106 -2.392 -4.422 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.507 -0.625 -2.292 1.00 0.12 H new ATOM 0 HG22 VAL A 44 -5.099 -2.229 -2.787 1.00 0.12 H new ATOM 0 HG23 VAL A 44 -4.757 -1.897 -1.072 1.00 0.12 H new ATOM 741 N ILE A 45 -0.657 -4.489 -2.332 1.00 0.08 N ATOM 742 CA ILE A 45 0.680 -4.870 -1.948 1.00 0.08 C ATOM 743 C ILE A 45 1.647 -3.935 -2.630 1.00 0.11 C ATOM 744 O ILE A 45 1.659 -3.856 -3.851 1.00 0.14 O ATOM 745 CB ILE A 45 0.998 -6.320 -2.368 1.00 0.09 C ATOM 746 CG1 ILE A 45 0.229 -7.332 -1.507 1.00 0.09 C ATOM 747 CG2 ILE A 45 2.499 -6.589 -2.277 1.00 0.11 C ATOM 748 CD1 ILE A 45 -1.272 -7.212 -1.546 1.00 0.08 C ATOM 0 H ILE A 45 -0.885 -4.691 -3.305 1.00 0.08 H new ATOM 0 HA ILE A 45 0.767 -4.809 -0.863 1.00 0.08 H new ATOM 0 HB ILE A 45 0.679 -6.441 -3.403 1.00 0.09 H new ATOM 0 HG12 ILE A 45 0.504 -8.337 -1.827 1.00 0.09 H new ATOM 0 HG13 ILE A 45 0.557 -7.226 -0.473 1.00 0.09 H new ATOM 0 HG21 ILE A 45 2.703 -7.617 -2.577 1.00 0.11 H new ATOM 0 HG22 ILE A 45 3.032 -5.905 -2.938 1.00 0.11 H new ATOM 0 HG23 ILE A 45 2.834 -6.437 -1.251 1.00 0.11 H new ATOM 0 HD11 ILE A 45 -1.715 -7.973 -0.904 1.00 0.08 H new ATOM 0 HD12 ILE A 45 -1.567 -6.224 -1.194 1.00 0.08 H new ATOM 0 HD13 ILE A 45 -1.622 -7.352 -2.569 1.00 0.08 H new ATOM 760 N LEU A 46 2.395 -3.195 -1.842 1.00 0.11 N ATOM 761 CA LEU A 46 3.388 -2.268 -2.357 1.00 0.13 C ATOM 762 C LEU A 46 4.775 -2.758 -1.990 1.00 0.11 C ATOM 763 O LEU A 46 5.102 -2.831 -0.815 1.00 0.17 O ATOM 764 CB LEU A 46 3.169 -0.895 -1.724 1.00 0.20 C ATOM 765 CG LEU A 46 1.766 -0.674 -1.174 1.00 0.14 C ATOM 766 CD1 LEU A 46 1.771 0.479 -0.196 1.00 0.19 C ATOM 767 CD2 LEU A 46 0.779 -0.420 -2.301 1.00 0.23 C ATOM 0 H LEU A 46 2.335 -3.216 -0.824 1.00 0.11 H new ATOM 0 HA LEU A 46 3.294 -2.201 -3.441 1.00 0.13 H new ATOM 0 HB2 LEU A 46 3.888 -0.762 -0.916 1.00 0.20 H new ATOM 0 HB3 LEU A 46 3.380 -0.127 -2.468 1.00 0.20 H new ATOM 0 HG LEU A 46 1.450 -1.576 -0.650 1.00 0.14 H new ATOM 0 HD11 LEU A 46 0.764 0.631 0.193 1.00 0.19 H new ATOM 0 HD12 LEU A 46 2.448 0.254 0.628 1.00 0.19 H new ATOM 0 HD13 LEU A 46 2.104 1.385 -0.703 1.00 0.19 H new ATOM 0 HD21 LEU A 46 -0.216 -0.265 -1.885 1.00 0.23 H new ATOM 0 HD22 LEU A 46 1.082 0.467 -2.857 1.00 0.23 H new ATOM 0 HD23 LEU A 46 0.762 -1.280 -2.971 1.00 0.23 H new ATOM 779 N LYS A 47 5.602 -3.087 -2.965 1.00 0.15 N ATOM 780 CA LYS A 47 6.952 -3.530 -2.620 1.00 0.27 C ATOM 781 C LYS A 47 8.023 -2.751 -3.371 1.00 0.16 C ATOM 782 O LYS A 47 7.793 -2.279 -4.467 1.00 0.15 O ATOM 783 CB LYS A 47 7.112 -5.048 -2.803 1.00 0.63 C ATOM 784 CG LYS A 47 7.822 -5.489 -4.069 1.00 0.29 C ATOM 785 CD LYS A 47 6.939 -5.401 -5.297 1.00 0.55 C ATOM 786 CE LYS A 47 5.599 -6.075 -5.077 1.00 0.69 C ATOM 787 NZ LYS A 47 5.166 -6.823 -6.283 1.00 0.76 N ATOM 0 H LYS A 47 5.384 -3.061 -3.961 1.00 0.15 H new ATOM 0 HA LYS A 47 7.096 -3.314 -1.561 1.00 0.27 H new ATOM 0 HB2 LYS A 47 7.658 -5.443 -1.946 1.00 0.63 H new ATOM 0 HB3 LYS A 47 6.122 -5.503 -2.787 1.00 0.63 H new ATOM 0 HG2 LYS A 47 8.707 -4.871 -4.218 1.00 0.29 H new ATOM 0 HG3 LYS A 47 8.167 -6.516 -3.948 1.00 0.29 H new ATOM 0 HD2 LYS A 47 6.781 -4.354 -5.557 1.00 0.55 H new ATOM 0 HD3 LYS A 47 7.445 -5.866 -6.143 1.00 0.55 H new ATOM 0 HE2 LYS A 47 5.667 -6.757 -4.229 1.00 0.69 H new ATOM 0 HE3 LYS A 47 4.850 -5.325 -4.823 1.00 0.69 H new ATOM 0 HZ1 LYS A 47 4.132 -6.764 -6.376 1.00 0.76 H new ATOM 0 HZ2 LYS A 47 5.613 -6.411 -7.126 1.00 0.76 H new ATOM 0 HZ3 LYS A 47 5.449 -7.820 -6.193 1.00 0.76 H new ATOM 801 N LYS A 48 9.193 -2.688 -2.754 1.00 0.19 N ATOM 802 CA LYS A 48 10.328 -1.817 -3.131 1.00 0.15 C ATOM 803 C LYS A 48 10.643 -1.668 -4.634 1.00 0.14 C ATOM 804 O LYS A 48 11.400 -0.772 -5.004 1.00 0.17 O ATOM 805 CB LYS A 48 11.558 -2.340 -2.431 1.00 0.17 C ATOM 806 CG LYS A 48 11.556 -3.856 -2.356 1.00 0.19 C ATOM 807 CD LYS A 48 11.859 -4.360 -0.958 1.00 0.20 C ATOM 808 CE LYS A 48 13.272 -4.014 -0.522 1.00 0.21 C ATOM 809 NZ LYS A 48 13.633 -4.680 0.759 1.00 0.32 N ATOM 0 H LYS A 48 9.400 -3.264 -1.938 1.00 0.19 H new ATOM 0 HA LYS A 48 10.027 -0.815 -2.826 1.00 0.15 H new ATOM 0 HB2 LYS A 48 12.449 -2.002 -2.960 1.00 0.17 H new ATOM 0 HB3 LYS A 48 11.608 -1.925 -1.424 1.00 0.17 H new ATOM 0 HG2 LYS A 48 10.584 -4.233 -2.674 1.00 0.19 H new ATOM 0 HG3 LYS A 48 12.295 -4.254 -3.052 1.00 0.19 H new ATOM 0 HD2 LYS A 48 11.147 -3.928 -0.255 1.00 0.20 H new ATOM 0 HD3 LYS A 48 11.724 -5.441 -0.925 1.00 0.20 H new ATOM 0 HE2 LYS A 48 13.976 -4.314 -1.299 1.00 0.21 H new ATOM 0 HE3 LYS A 48 13.363 -2.934 -0.409 1.00 0.21 H new ATOM 0 HZ1 LYS A 48 14.626 -4.475 0.989 1.00 0.32 H new ATOM 0 HZ2 LYS A 48 13.020 -4.324 1.520 1.00 0.32 H new ATOM 0 HZ3 LYS A 48 13.505 -5.708 0.664 1.00 0.32 H new ATOM 823 N TYR A 49 10.143 -2.564 -5.473 1.00 0.14 N ATOM 824 CA TYR A 49 10.261 -2.439 -6.934 1.00 0.16 C ATOM 825 C TYR A 49 11.661 -2.785 -7.437 1.00 0.17 C ATOM 826 O TYR A 49 11.813 -3.599 -8.343 1.00 0.24 O ATOM 827 CB TYR A 49 9.917 -1.034 -7.419 1.00 0.19 C ATOM 828 CG TYR A 49 10.107 -0.872 -8.916 1.00 0.24 C ATOM 829 CD1 TYR A 49 9.641 -1.840 -9.803 1.00 1.22 C ATOM 830 CD2 TYR A 49 10.750 0.240 -9.443 1.00 1.03 C ATOM 831 CE1 TYR A 49 9.807 -1.700 -11.166 1.00 1.28 C ATOM 832 CE2 TYR A 49 10.917 0.386 -10.807 1.00 1.01 C ATOM 833 CZ TYR A 49 10.446 -0.587 -11.663 1.00 0.40 C ATOM 834 OH TYR A 49 10.609 -0.441 -13.023 1.00 0.49 O ATOM 0 H TYR A 49 9.643 -3.400 -5.169 1.00 0.14 H new ATOM 0 HA TYR A 49 9.545 -3.154 -7.340 1.00 0.16 H new ATOM 0 HB2 TYR A 49 8.883 -0.807 -7.161 1.00 0.19 H new ATOM 0 HB3 TYR A 49 10.542 -0.310 -6.896 1.00 0.19 H new ATOM 0 HD1 TYR A 49 9.141 -2.716 -9.417 1.00 1.22 H new ATOM 0 HD2 TYR A 49 11.125 1.003 -8.777 1.00 1.03 H new ATOM 0 HE1 TYR A 49 9.437 -2.460 -11.839 1.00 1.28 H new ATOM 0 HE2 TYR A 49 11.415 1.260 -11.201 1.00 1.01 H new ATOM 0 HH TYR A 49 11.078 0.399 -13.208 1.00 0.49 H new ATOM 844 N SER A 50 12.669 -2.131 -6.866 1.00 0.19 N ATOM 845 CA SER A 50 14.056 -2.308 -7.280 1.00 0.25 C ATOM 846 C SER A 50 14.440 -3.797 -7.307 1.00 0.28 C ATOM 847 O SER A 50 14.986 -4.274 -8.301 1.00 0.34 O ATOM 848 CB SER A 50 14.990 -1.506 -6.362 1.00 0.37 C ATOM 849 OG SER A 50 16.289 -1.384 -6.920 1.00 1.36 O ATOM 0 H SER A 50 12.546 -1.464 -6.104 1.00 0.19 H new ATOM 0 HA SER A 50 14.166 -1.927 -8.295 1.00 0.25 H new ATOM 0 HB2 SER A 50 14.571 -0.514 -6.192 1.00 0.37 H new ATOM 0 HB3 SER A 50 15.055 -1.995 -5.390 1.00 0.37 H new ATOM 0 HG SER A 50 16.859 -0.867 -6.313 1.00 1.36 H new ATOM 855 N PRO A 51 14.161 -4.562 -6.231 1.00 0.32 N ATOM 856 CA PRO A 51 14.325 -6.008 -6.232 1.00 0.42 C ATOM 857 C PRO A 51 13.028 -6.721 -6.595 1.00 0.45 C ATOM 858 O PRO A 51 12.926 -7.943 -6.499 1.00 0.58 O ATOM 859 CB PRO A 51 14.688 -6.316 -4.786 1.00 0.52 C ATOM 860 CG PRO A 51 14.217 -5.146 -3.974 1.00 0.46 C ATOM 861 CD PRO A 51 13.698 -4.101 -4.920 1.00 0.36 C ATOM 0 HA PRO A 51 15.066 -6.338 -6.960 1.00 0.42 H new ATOM 0 HB2 PRO A 51 14.210 -7.237 -4.453 1.00 0.52 H new ATOM 0 HB3 PRO A 51 15.763 -6.457 -4.677 1.00 0.52 H new ATOM 0 HG2 PRO A 51 13.435 -5.454 -3.281 1.00 0.46 H new ATOM 0 HG3 PRO A 51 15.034 -4.745 -3.375 1.00 0.46 H new ATOM 0 HD2 PRO A 51 12.611 -4.030 -4.881 1.00 0.36 H new ATOM 0 HD3 PRO A 51 14.091 -3.113 -4.681 1.00 0.36 H new ATOM 869 N ILE A 52 12.044 -5.934 -7.027 1.00 0.37 N ATOM 870 CA ILE A 52 10.700 -6.429 -7.319 1.00 0.46 C ATOM 871 C ILE A 52 10.161 -7.182 -6.099 1.00 0.61 C ATOM 872 O ILE A 52 10.501 -6.839 -4.964 1.00 0.61 O ATOM 873 CB ILE A 52 10.706 -7.341 -8.567 1.00 0.62 C ATOM 874 CG1 ILE A 52 11.884 -6.981 -9.478 1.00 0.51 C ATOM 875 CG2 ILE A 52 9.398 -7.187 -9.339 1.00 0.78 C ATOM 876 CD1 ILE A 52 12.023 -7.876 -10.690 1.00 0.69 C ATOM 0 H ILE A 52 12.157 -4.933 -7.185 1.00 0.37 H new ATOM 0 HA ILE A 52 10.049 -5.582 -7.534 1.00 0.46 H new ATOM 0 HB ILE A 52 10.809 -8.376 -8.240 1.00 0.62 H new ATOM 0 HG12 ILE A 52 11.769 -5.950 -9.812 1.00 0.51 H new ATOM 0 HG13 ILE A 52 12.806 -7.027 -8.898 1.00 0.51 H new ATOM 0 HG21 ILE A 52 9.415 -7.834 -10.216 1.00 0.78 H new ATOM 0 HG22 ILE A 52 8.562 -7.466 -8.698 1.00 0.78 H new ATOM 0 HG23 ILE A 52 9.282 -6.150 -9.656 1.00 0.78 H new ATOM 0 HD11 ILE A 52 12.880 -7.555 -11.283 1.00 0.69 H new ATOM 0 HD12 ILE A 52 12.171 -8.906 -10.366 1.00 0.69 H new ATOM 0 HD13 ILE A 52 11.119 -7.812 -11.295 1.00 0.69 H new ATOM 888 N SER A 53 9.318 -8.183 -6.310 1.00 0.85 N ATOM 889 CA SER A 53 8.863 -9.016 -5.211 1.00 1.06 C ATOM 890 C SER A 53 9.945 -10.018 -4.859 1.00 1.29 C ATOM 891 O SER A 53 9.961 -11.115 -5.415 1.00 1.96 O ATOM 892 CB SER A 53 7.571 -9.750 -5.577 1.00 1.21 C ATOM 893 OG SER A 53 6.437 -8.936 -5.362 1.00 1.67 O ATOM 0 H SER A 53 8.940 -8.435 -7.223 1.00 0.85 H new ATOM 0 HA SER A 53 8.657 -8.378 -4.351 1.00 1.06 H new ATOM 0 HB2 SER A 53 7.608 -10.056 -6.623 1.00 1.21 H new ATOM 0 HB3 SER A 53 7.486 -10.659 -4.982 1.00 1.21 H new ATOM 0 HG SER A 53 6.064 -9.122 -4.475 1.00 1.67 H new ATOM 899 N GLU A 54 10.838 -9.605 -3.942 1.00 1.17 N ATOM 900 CA GLU A 54 12.079 -10.322 -3.581 1.00 1.35 C ATOM 901 C GLU A 54 12.950 -10.612 -4.811 1.00 1.52 C ATOM 902 O GLU A 54 14.054 -10.079 -4.913 1.00 2.38 O ATOM 903 CB GLU A 54 11.825 -11.586 -2.719 1.00 1.52 C ATOM 904 CG GLU A 54 10.911 -12.642 -3.321 1.00 1.95 C ATOM 905 CD GLU A 54 10.694 -13.825 -2.407 1.00 2.29 C ATOM 906 OE1 GLU A 54 9.973 -13.680 -1.397 1.00 2.89 O ATOM 907 OE2 GLU A 54 11.224 -14.915 -2.706 1.00 2.47 O ATOM 0 H GLU A 54 10.715 -8.740 -3.416 1.00 1.17 H new ATOM 0 HA GLU A 54 12.647 -9.646 -2.942 1.00 1.35 H new ATOM 0 HB2 GLU A 54 12.787 -12.050 -2.502 1.00 1.52 H new ATOM 0 HB3 GLU A 54 11.401 -11.270 -1.766 1.00 1.52 H new ATOM 0 HG2 GLU A 54 9.947 -12.190 -3.556 1.00 1.95 H new ATOM 0 HG3 GLU A 54 11.337 -12.990 -4.262 1.00 1.95 H new ATOM 914 N LEU A 55 12.434 -11.436 -5.720 1.00 1.27 N ATOM 915 CA LEU A 55 13.039 -11.731 -7.016 1.00 1.43 C ATOM 916 C LEU A 55 12.438 -13.024 -7.547 1.00 2.04 C ATOM 917 O LEU A 55 12.865 -14.105 -7.089 1.00 2.28 O ATOM 918 CB LEU A 55 14.566 -11.860 -6.958 1.00 1.60 C ATOM 919 CG LEU A 55 15.302 -11.271 -8.170 1.00 1.53 C ATOM 920 CD1 LEU A 55 14.954 -12.029 -9.444 1.00 2.27 C ATOM 921 CD2 LEU A 55 14.965 -9.792 -8.326 1.00 1.11 C ATOM 922 OXT LEU A 55 11.531 -12.952 -8.399 1.00 2.65 O ATOM 0 H LEU A 55 11.556 -11.932 -5.570 1.00 1.27 H new ATOM 0 HA LEU A 55 12.825 -10.891 -7.677 1.00 1.43 H new ATOM 0 HB2 LEU A 55 14.926 -11.366 -6.055 1.00 1.60 H new ATOM 0 HB3 LEU A 55 14.826 -12.915 -6.869 1.00 1.60 H new ATOM 0 HG LEU A 55 16.373 -11.373 -7.997 1.00 1.53 H new ATOM 0 HD11 LEU A 55 15.489 -11.590 -10.286 1.00 2.27 H new ATOM 0 HD12 LEU A 55 15.242 -13.075 -9.336 1.00 2.27 H new ATOM 0 HD13 LEU A 55 13.881 -11.965 -9.624 1.00 2.27 H new ATOM 0 HD21 LEU A 55 15.494 -9.387 -9.189 1.00 1.11 H new ATOM 0 HD22 LEU A 55 13.891 -9.677 -8.472 1.00 1.11 H new ATOM 0 HD23 LEU A 55 15.269 -9.253 -7.429 1.00 1.11 H new TER 934 LEU A 55 ATOM 935 N MET B 1 -5.993 -12.263 -12.619 1.00 3.94 N ATOM 936 CA MET B 1 -6.050 -12.452 -11.151 1.00 3.42 C ATOM 937 C MET B 1 -5.444 -11.239 -10.439 1.00 2.74 C ATOM 938 O MET B 1 -4.338 -11.308 -9.896 1.00 3.34 O ATOM 939 CB MET B 1 -5.311 -13.737 -10.751 1.00 3.88 C ATOM 940 CG MET B 1 -5.292 -14.003 -9.253 1.00 4.32 C ATOM 941 SD MET B 1 -4.370 -15.490 -8.816 1.00 5.25 S ATOM 942 CE MET B 1 -4.321 -15.338 -7.032 1.00 6.17 C ATOM 0 H1 MET B 1 -6.407 -13.092 -13.092 1.00 3.94 H new ATOM 0 H2 MET B 1 -6.530 -11.411 -12.880 1.00 3.94 H new ATOM 0 H3 MET B 1 -5.003 -12.153 -12.917 1.00 3.94 H new ATOM 0 HA MET B 1 -7.093 -12.546 -10.848 1.00 3.42 H new ATOM 0 HB2 MET B 1 -5.779 -14.584 -11.253 1.00 3.88 H new ATOM 0 HB3 MET B 1 -4.284 -13.680 -11.112 1.00 3.88 H new ATOM 0 HG2 MET B 1 -4.853 -13.146 -8.742 1.00 4.32 H new ATOM 0 HG3 MET B 1 -6.316 -14.098 -8.893 1.00 4.32 H new ATOM 0 HE1 MET B 1 -3.782 -16.186 -6.609 1.00 6.17 H new ATOM 0 HE2 MET B 1 -3.813 -14.413 -6.759 1.00 6.17 H new ATOM 0 HE3 MET B 1 -5.338 -15.323 -6.640 1.00 6.17 H new ATOM 954 N LYS B 2 -6.178 -10.123 -10.473 1.00 1.78 N ATOM 955 CA LYS B 2 -5.718 -8.843 -9.915 1.00 1.13 C ATOM 956 C LYS B 2 -4.269 -8.538 -10.273 1.00 0.88 C ATOM 957 O LYS B 2 -3.829 -8.832 -11.387 1.00 1.16 O ATOM 958 CB LYS B 2 -5.945 -8.778 -8.397 1.00 0.55 C ATOM 959 CG LYS B 2 -7.387 -8.449 -7.997 1.00 1.01 C ATOM 960 CD LYS B 2 -7.796 -7.000 -8.309 1.00 1.83 C ATOM 961 CE LYS B 2 -7.726 -6.671 -9.797 1.00 2.68 C ATOM 962 NZ LYS B 2 -8.359 -5.367 -10.133 1.00 3.61 N ATOM 0 H LYS B 2 -7.109 -10.079 -10.888 1.00 1.78 H new ATOM 0 HA LYS B 2 -6.325 -8.065 -10.378 1.00 1.13 H new ATOM 0 HB2 LYS B 2 -5.666 -9.735 -7.957 1.00 0.55 H new ATOM 0 HB3 LYS B 2 -5.280 -8.026 -7.972 1.00 0.55 H new ATOM 0 HG2 LYS B 2 -8.063 -9.128 -8.516 1.00 1.01 H new ATOM 0 HG3 LYS B 2 -7.510 -8.631 -6.929 1.00 1.01 H new ATOM 0 HD2 LYS B 2 -8.812 -6.829 -7.952 1.00 1.83 H new ATOM 0 HD3 LYS B 2 -7.146 -6.318 -7.760 1.00 1.83 H new ATOM 0 HE2 LYS B 2 -6.682 -6.654 -10.111 1.00 2.68 H new ATOM 0 HE3 LYS B 2 -8.216 -7.463 -10.362 1.00 2.68 H new ATOM 0 HZ1 LYS B 2 -8.001 -5.034 -11.051 1.00 3.61 H new ATOM 0 HZ2 LYS B 2 -9.391 -5.485 -10.186 1.00 3.61 H new ATOM 0 HZ3 LYS B 2 -8.128 -4.669 -9.397 1.00 3.61 H new ATOM 976 N ALA B 3 -3.551 -7.932 -9.327 1.00 0.51 N ATOM 977 CA ALA B 3 -2.184 -7.469 -9.547 1.00 0.33 C ATOM 978 C ALA B 3 -2.140 -6.335 -10.569 1.00 0.42 C ATOM 979 O ALA B 3 -2.331 -6.544 -11.769 1.00 0.86 O ATOM 980 CB ALA B 3 -1.269 -8.616 -9.967 1.00 0.48 C ATOM 0 H ALA B 3 -3.902 -7.749 -8.387 1.00 0.51 H new ATOM 0 HA ALA B 3 -1.816 -7.079 -8.598 1.00 0.33 H new ATOM 0 HB1 ALA B 3 -0.259 -8.237 -10.123 1.00 0.48 H new ATOM 0 HB2 ALA B 3 -1.255 -9.375 -9.185 1.00 0.48 H new ATOM 0 HB3 ALA B 3 -1.638 -9.056 -10.893 1.00 0.48 H new ATOM 986 N THR B 4 -1.904 -5.128 -10.083 1.00 0.24 N ATOM 987 CA THR B 4 -1.853 -3.959 -10.939 1.00 0.26 C ATOM 988 C THR B 4 -0.425 -3.634 -11.364 1.00 0.30 C ATOM 989 O THR B 4 -0.154 -3.409 -12.545 1.00 0.43 O ATOM 990 CB THR B 4 -2.500 -2.754 -10.245 1.00 0.26 C ATOM 991 OG1 THR B 4 -2.080 -2.700 -8.877 1.00 0.27 O ATOM 992 CG2 THR B 4 -4.017 -2.842 -10.298 1.00 0.26 C ATOM 0 H THR B 4 -1.744 -4.934 -9.095 1.00 0.24 H new ATOM 0 HA THR B 4 -2.419 -4.186 -11.842 1.00 0.26 H new ATOM 0 HB THR B 4 -2.184 -1.852 -10.769 1.00 0.26 H new ATOM 0 HG1 THR B 4 -1.233 -2.211 -8.814 1.00 0.27 H new ATOM 0 HG21 THR B 4 -4.449 -1.975 -9.799 1.00 0.26 H new ATOM 0 HG22 THR B 4 -4.344 -2.863 -11.338 1.00 0.26 H new ATOM 0 HG23 THR B 4 -4.346 -3.752 -9.796 1.00 0.26 H new ATOM 1000 N GLY B 5 0.477 -3.614 -10.399 1.00 0.23 N ATOM 1001 CA GLY B 5 1.883 -3.427 -10.697 1.00 0.25 C ATOM 1002 C GLY B 5 2.214 -2.013 -11.119 1.00 0.26 C ATOM 1003 O GLY B 5 2.888 -1.798 -12.125 1.00 0.33 O ATOM 0 H GLY B 5 0.262 -3.724 -9.408 1.00 0.23 H new ATOM 0 HA2 GLY B 5 2.473 -3.685 -9.817 1.00 0.25 H new ATOM 0 HA3 GLY B 5 2.175 -4.115 -11.490 1.00 0.25 H new ATOM 1007 N ILE B 6 1.734 -1.051 -10.353 1.00 0.21 N ATOM 1008 CA ILE B 6 2.069 0.341 -10.582 1.00 0.22 C ATOM 1009 C ILE B 6 3.046 0.791 -9.508 1.00 0.19 C ATOM 1010 O ILE B 6 2.703 0.844 -8.333 1.00 0.16 O ATOM 1011 CB ILE B 6 0.816 1.264 -10.606 1.00 0.23 C ATOM 1012 CG1 ILE B 6 1.199 2.737 -10.380 1.00 0.26 C ATOM 1013 CG2 ILE B 6 -0.215 0.818 -9.579 1.00 0.21 C ATOM 1014 CD1 ILE B 6 2.114 3.316 -11.440 1.00 0.30 C ATOM 0 H ILE B 6 1.108 -1.210 -9.563 1.00 0.21 H new ATOM 0 HA ILE B 6 2.526 0.423 -11.568 1.00 0.22 H new ATOM 0 HB ILE B 6 0.370 1.180 -11.597 1.00 0.23 H new ATOM 0 HG12 ILE B 6 0.288 3.334 -10.338 1.00 0.26 H new ATOM 0 HG13 ILE B 6 1.685 2.828 -9.409 1.00 0.26 H new ATOM 0 HG21 ILE B 6 -1.079 1.481 -9.619 1.00 0.21 H new ATOM 0 HG22 ILE B 6 -0.530 -0.202 -9.799 1.00 0.21 H new ATOM 0 HG23 ILE B 6 0.225 0.855 -8.582 1.00 0.21 H new ATOM 0 HD11 ILE B 6 2.333 4.357 -11.203 1.00 0.30 H new ATOM 0 HD12 ILE B 6 3.043 2.747 -11.469 1.00 0.30 H new ATOM 0 HD13 ILE B 6 1.625 3.261 -12.413 1.00 0.30 H new ATOM 1026 N VAL B 7 4.270 1.064 -9.908 1.00 0.24 N ATOM 1027 CA VAL B 7 5.292 1.479 -8.967 1.00 0.22 C ATOM 1028 C VAL B 7 5.209 2.973 -8.689 1.00 0.24 C ATOM 1029 O VAL B 7 5.035 3.778 -9.603 1.00 0.27 O ATOM 1030 CB VAL B 7 6.703 1.091 -9.440 1.00 0.23 C ATOM 1031 CG1 VAL B 7 7.769 1.838 -8.640 1.00 0.24 C ATOM 1032 CG2 VAL B 7 6.879 -0.414 -9.304 1.00 0.23 C ATOM 0 H VAL B 7 4.583 1.006 -10.877 1.00 0.24 H new ATOM 0 HA VAL B 7 5.102 0.946 -8.036 1.00 0.22 H new ATOM 0 HB VAL B 7 6.821 1.373 -10.486 1.00 0.23 H new ATOM 0 HG11 VAL B 7 8.759 1.547 -8.992 1.00 0.24 H new ATOM 0 HG12 VAL B 7 7.638 2.912 -8.773 1.00 0.24 H new ATOM 0 HG13 VAL B 7 7.672 1.588 -7.583 1.00 0.24 H new ATOM 0 HG21 VAL B 7 7.878 -0.695 -9.638 1.00 0.23 H new ATOM 0 HG22 VAL B 7 6.751 -0.703 -8.261 1.00 0.23 H new ATOM 0 HG23 VAL B 7 6.135 -0.924 -9.916 1.00 0.23 H new ATOM 1042 N ARG B 8 5.338 3.337 -7.419 1.00 0.23 N ATOM 1043 CA ARG B 8 5.302 4.713 -6.987 1.00 0.25 C ATOM 1044 C ARG B 8 6.475 4.920 -6.034 1.00 0.23 C ATOM 1045 O ARG B 8 6.618 4.186 -5.060 1.00 0.26 O ATOM 1046 CB ARG B 8 3.950 5.028 -6.291 1.00 0.29 C ATOM 1047 CG ARG B 8 4.038 5.862 -5.001 1.00 0.27 C ATOM 1048 CD ARG B 8 4.645 7.232 -5.236 1.00 0.24 C ATOM 1049 NE ARG B 8 3.865 8.056 -6.157 1.00 0.99 N ATOM 1050 CZ ARG B 8 4.000 9.380 -6.256 1.00 0.92 C ATOM 1051 NH1 ARG B 8 4.799 10.041 -5.420 1.00 0.53 N ATOM 1052 NH2 ARG B 8 3.316 10.045 -7.177 1.00 1.69 N ATOM 0 H ARG B 8 5.472 2.671 -6.658 1.00 0.23 H new ATOM 0 HA ARG B 8 5.386 5.390 -7.837 1.00 0.25 H new ATOM 0 HB2 ARG B 8 3.313 5.557 -7.000 1.00 0.29 H new ATOM 0 HB3 ARG B 8 3.455 4.085 -6.058 1.00 0.29 H new ATOM 0 HG2 ARG B 8 3.040 5.978 -4.578 1.00 0.27 H new ATOM 0 HG3 ARG B 8 4.636 5.325 -4.265 1.00 0.27 H new ATOM 0 HD2 ARG B 8 4.735 7.751 -4.282 1.00 0.24 H new ATOM 0 HD3 ARG B 8 5.654 7.113 -5.631 1.00 0.24 H new ATOM 0 HE ARG B 8 3.181 7.594 -6.756 1.00 0.99 H new ATOM 0 HH11 ARG B 8 5.313 9.535 -4.698 1.00 0.53 H new ATOM 0 HH12 ARG B 8 4.897 11.053 -5.502 1.00 0.53 H new ATOM 0 HH21 ARG B 8 2.689 9.545 -7.807 1.00 1.69 H new ATOM 0 HH22 ARG B 8 3.417 11.057 -7.255 1.00 1.69 H new ATOM 1066 N ARG B 9 7.330 5.877 -6.335 1.00 0.20 N ATOM 1067 CA ARG B 9 8.391 6.241 -5.412 1.00 0.19 C ATOM 1068 C ARG B 9 7.817 7.185 -4.378 1.00 0.20 C ATOM 1069 O ARG B 9 7.603 8.355 -4.688 1.00 0.21 O ATOM 1070 CB ARG B 9 9.546 6.918 -6.140 1.00 0.18 C ATOM 1071 CG ARG B 9 10.859 6.807 -5.402 1.00 0.24 C ATOM 1072 CD ARG B 9 11.788 5.812 -6.072 1.00 0.62 C ATOM 1073 NE ARG B 9 12.232 6.266 -7.385 1.00 1.35 N ATOM 1074 CZ ARG B 9 13.510 6.449 -7.701 1.00 1.74 C ATOM 1075 NH1 ARG B 9 14.456 6.220 -6.800 1.00 1.51 N ATOM 1076 NH2 ARG B 9 13.844 6.861 -8.915 1.00 2.71 N ATOM 0 H ARG B 9 7.314 6.413 -7.202 1.00 0.20 H new ATOM 0 HA ARG B 9 8.779 5.339 -4.938 1.00 0.19 H new ATOM 0 HB2 ARG B 9 9.654 6.474 -7.130 1.00 0.18 H new ATOM 0 HB3 ARG B 9 9.307 7.971 -6.287 1.00 0.18 H new ATOM 0 HG2 ARG B 9 11.339 7.785 -5.361 1.00 0.24 H new ATOM 0 HG3 ARG B 9 10.675 6.499 -4.373 1.00 0.24 H new ATOM 0 HD2 ARG B 9 12.657 5.644 -5.435 1.00 0.62 H new ATOM 0 HD3 ARG B 9 11.278 4.854 -6.175 1.00 0.62 H new ATOM 0 HE ARG B 9 11.526 6.453 -8.097 1.00 1.35 H new ATOM 0 HH11 ARG B 9 14.203 5.903 -5.864 1.00 1.51 H new ATOM 0 HH12 ARG B 9 15.437 6.361 -7.043 1.00 1.51 H new ATOM 0 HH21 ARG B 9 13.119 7.039 -9.611 1.00 2.71 H new ATOM 0 HH22 ARG B 9 14.826 7.000 -9.154 1.00 2.71 H new ATOM 1090 N ILE B 10 7.569 6.640 -3.176 1.00 0.22 N ATOM 1091 CA ILE B 10 6.946 7.347 -2.033 1.00 0.25 C ATOM 1092 C ILE B 10 6.804 8.869 -2.212 1.00 0.30 C ATOM 1093 O ILE B 10 5.934 9.322 -2.964 1.00 0.34 O ATOM 1094 CB ILE B 10 7.691 7.029 -0.700 1.00 0.23 C ATOM 1095 CG1 ILE B 10 9.206 6.790 -0.917 1.00 0.22 C ATOM 1096 CG2 ILE B 10 7.055 5.808 -0.058 1.00 0.21 C ATOM 1097 CD1 ILE B 10 9.872 7.782 -1.841 1.00 0.23 C ATOM 0 H ILE B 10 7.800 5.670 -2.961 1.00 0.22 H new ATOM 0 HA ILE B 10 5.928 6.958 -1.991 1.00 0.25 H new ATOM 0 HB ILE B 10 7.597 7.894 -0.044 1.00 0.23 H new ATOM 0 HG12 ILE B 10 9.708 6.821 0.050 1.00 0.22 H new ATOM 0 HG13 ILE B 10 9.349 5.787 -1.318 1.00 0.22 H new ATOM 0 HG21 ILE B 10 7.569 5.578 0.875 1.00 0.21 H new ATOM 0 HG22 ILE B 10 6.004 6.011 0.148 1.00 0.21 H new ATOM 0 HG23 ILE B 10 7.135 4.958 -0.735 1.00 0.21 H new ATOM 0 HD11 ILE B 10 10.930 7.538 -1.935 1.00 0.23 H new ATOM 0 HD12 ILE B 10 9.401 7.737 -2.823 1.00 0.23 H new ATOM 0 HD13 ILE B 10 9.766 8.787 -1.433 1.00 0.23 H new ATOM 1109 N ASP B 11 7.647 9.633 -1.512 1.00 0.32 N ATOM 1110 CA ASP B 11 7.704 11.088 -1.595 1.00 0.39 C ATOM 1111 C ASP B 11 8.460 11.560 -0.376 1.00 0.40 C ATOM 1112 O ASP B 11 9.036 10.734 0.314 1.00 0.42 O ATOM 1113 CB ASP B 11 6.310 11.746 -1.661 1.00 0.43 C ATOM 1114 CG ASP B 11 5.615 11.863 -0.316 1.00 0.33 C ATOM 1115 OD1 ASP B 11 5.208 10.834 0.252 1.00 1.08 O ATOM 1116 OD2 ASP B 11 5.481 12.998 0.186 1.00 1.18 O ATOM 0 H ASP B 11 8.324 9.243 -0.856 1.00 0.32 H new ATOM 0 HA ASP B 11 8.202 11.379 -2.520 1.00 0.39 H new ATOM 0 HB2 ASP B 11 6.410 12.741 -2.094 1.00 0.43 H new ATOM 0 HB3 ASP B 11 5.678 11.167 -2.335 1.00 0.43 H new ATOM 1121 N ASP B 12 8.449 12.853 -0.089 1.00 0.44 N ATOM 1122 CA ASP B 12 9.219 13.375 1.037 1.00 0.47 C ATOM 1123 C ASP B 12 8.520 13.081 2.360 1.00 0.43 C ATOM 1124 O ASP B 12 9.030 13.401 3.435 1.00 0.63 O ATOM 1125 CB ASP B 12 9.467 14.872 0.886 1.00 0.58 C ATOM 1126 CG ASP B 12 10.461 15.188 -0.213 1.00 1.42 C ATOM 1127 OD1 ASP B 12 11.583 14.628 -0.191 1.00 1.78 O ATOM 1128 OD2 ASP B 12 10.133 16.004 -1.100 1.00 2.39 O ATOM 0 H ASP B 12 7.924 13.555 -0.611 1.00 0.44 H new ATOM 0 HA ASP B 12 10.184 12.869 1.040 1.00 0.47 H new ATOM 0 HB2 ASP B 12 8.523 15.374 0.673 1.00 0.58 H new ATOM 0 HB3 ASP B 12 9.835 15.273 1.830 1.00 0.58 H new ATOM 1133 N LEU B 13 7.347 12.479 2.269 1.00 0.34 N ATOM 1134 CA LEU B 13 6.618 12.035 3.437 1.00 0.28 C ATOM 1135 C LEU B 13 6.690 10.514 3.544 1.00 0.23 C ATOM 1136 O LEU B 13 7.229 9.974 4.516 1.00 0.25 O ATOM 1137 CB LEU B 13 5.161 12.499 3.343 1.00 0.27 C ATOM 1138 CG LEU B 13 4.370 12.492 4.653 1.00 0.29 C ATOM 1139 CD1 LEU B 13 4.066 11.073 5.108 1.00 0.32 C ATOM 1140 CD2 LEU B 13 5.136 13.249 5.726 1.00 0.40 C ATOM 0 H LEU B 13 6.877 12.286 1.385 1.00 0.34 H new ATOM 0 HA LEU B 13 7.066 12.468 4.331 1.00 0.28 H new ATOM 0 HB2 LEU B 13 5.148 13.511 2.939 1.00 0.27 H new ATOM 0 HB3 LEU B 13 4.643 11.863 2.625 1.00 0.27 H new ATOM 0 HG LEU B 13 3.417 12.992 4.480 1.00 0.29 H new ATOM 0 HD11 LEU B 13 3.503 11.103 6.041 1.00 0.32 H new ATOM 0 HD12 LEU B 13 3.477 10.565 4.345 1.00 0.32 H new ATOM 0 HD13 LEU B 13 5.000 10.533 5.265 1.00 0.32 H new ATOM 0 HD21 LEU B 13 4.566 13.239 6.655 1.00 0.40 H new ATOM 0 HD22 LEU B 13 6.103 12.772 5.888 1.00 0.40 H new ATOM 0 HD23 LEU B 13 5.289 14.279 5.405 1.00 0.40 H new ATOM 1152 N GLY B 14 6.153 9.834 2.536 1.00 0.21 N ATOM 1153 CA GLY B 14 6.096 8.390 2.547 1.00 0.18 C ATOM 1154 C GLY B 14 4.767 7.868 2.038 1.00 0.17 C ATOM 1155 O GLY B 14 4.421 6.708 2.257 1.00 0.20 O ATOM 0 H GLY B 14 5.753 10.267 1.704 1.00 0.21 H new ATOM 0 HA2 GLY B 14 6.902 7.991 1.931 1.00 0.18 H new ATOM 0 HA3 GLY B 14 6.262 8.029 3.562 1.00 0.18 H new ATOM 1159 N ARG B 15 4.012 8.717 1.350 1.00 0.18 N ATOM 1160 CA ARG B 15 2.721 8.307 0.829 1.00 0.20 C ATOM 1161 C ARG B 15 2.896 7.329 -0.303 1.00 0.18 C ATOM 1162 O ARG B 15 3.804 7.452 -1.126 1.00 0.20 O ATOM 1163 CB ARG B 15 1.910 9.474 0.276 1.00 0.29 C ATOM 1164 CG ARG B 15 1.567 10.553 1.269 1.00 0.24 C ATOM 1165 CD ARG B 15 2.229 11.845 0.854 1.00 0.42 C ATOM 1166 NE ARG B 15 1.585 13.018 1.446 1.00 0.52 N ATOM 1167 CZ ARG B 15 2.162 14.214 1.570 1.00 0.51 C ATOM 1168 NH1 ARG B 15 3.414 14.412 1.174 1.00 0.87 N ATOM 1169 NH2 ARG B 15 1.476 15.220 2.096 1.00 0.90 N ATOM 0 H ARG B 15 4.271 9.682 1.144 1.00 0.18 H new ATOM 0 HA ARG B 15 2.192 7.862 1.672 1.00 0.20 H new ATOM 0 HB2 ARG B 15 2.467 9.924 -0.545 1.00 0.29 H new ATOM 0 HB3 ARG B 15 0.983 9.083 -0.144 1.00 0.29 H new ATOM 0 HG2 ARG B 15 0.486 10.685 1.320 1.00 0.24 H new ATOM 0 HG3 ARG B 15 1.900 10.265 2.266 1.00 0.24 H new ATOM 0 HD2 ARG B 15 3.278 11.823 1.148 1.00 0.42 H new ATOM 0 HD3 ARG B 15 2.204 11.930 -0.232 1.00 0.42 H new ATOM 0 HE ARG B 15 0.629 12.914 1.787 1.00 0.52 H new ATOM 0 HH11 ARG B 15 3.948 13.644 0.768 1.00 0.87 H new ATOM 0 HH12 ARG B 15 3.841 15.333 1.275 1.00 0.87 H new ATOM 0 HH21 ARG B 15 0.514 15.076 2.402 1.00 0.90 H new ATOM 0 HH22 ARG B 15 1.911 16.138 2.194 1.00 0.90 H new ATOM 1183 N VAL B 16 2.010 6.374 -0.359 1.00 0.18 N ATOM 1184 CA VAL B 16 1.899 5.544 -1.520 1.00 0.19 C ATOM 1185 C VAL B 16 0.668 5.987 -2.274 1.00 0.17 C ATOM 1186 O VAL B 16 -0.449 5.598 -1.947 1.00 0.20 O ATOM 1187 CB VAL B 16 1.822 4.054 -1.159 1.00 0.27 C ATOM 1188 CG1 VAL B 16 1.683 3.212 -2.412 1.00 1.15 C ATOM 1189 CG2 VAL B 16 3.052 3.642 -0.366 1.00 1.27 C ATOM 0 H VAL B 16 1.354 6.153 0.390 1.00 0.18 H new ATOM 0 HA VAL B 16 2.790 5.654 -2.138 1.00 0.19 H new ATOM 0 HB VAL B 16 0.941 3.888 -0.539 1.00 0.27 H new ATOM 0 HG11 VAL B 16 1.630 2.158 -2.138 1.00 1.15 H new ATOM 0 HG12 VAL B 16 0.774 3.496 -2.942 1.00 1.15 H new ATOM 0 HG13 VAL B 16 2.545 3.376 -3.058 1.00 1.15 H new ATOM 0 HG21 VAL B 16 2.986 2.583 -0.116 1.00 1.27 H new ATOM 0 HG22 VAL B 16 3.946 3.818 -0.964 1.00 1.27 H new ATOM 0 HG23 VAL B 16 3.107 4.229 0.551 1.00 1.27 H new ATOM 1199 N VAL B 17 0.884 6.866 -3.236 1.00 0.18 N ATOM 1200 CA VAL B 17 -0.208 7.526 -3.918 1.00 0.19 C ATOM 1201 C VAL B 17 -0.996 6.520 -4.742 1.00 0.19 C ATOM 1202 O VAL B 17 -0.590 6.142 -5.839 1.00 0.22 O ATOM 1203 CB VAL B 17 0.299 8.668 -4.820 1.00 0.23 C ATOM 1204 CG1 VAL B 17 -0.869 9.420 -5.435 1.00 0.27 C ATOM 1205 CG2 VAL B 17 1.201 9.614 -4.033 1.00 0.25 C ATOM 0 H VAL B 17 1.811 7.138 -3.562 1.00 0.18 H new ATOM 0 HA VAL B 17 -0.861 7.961 -3.161 1.00 0.19 H new ATOM 0 HB VAL B 17 0.887 8.234 -5.628 1.00 0.23 H new ATOM 0 HG11 VAL B 17 -0.492 10.223 -6.069 1.00 0.27 H new ATOM 0 HG12 VAL B 17 -1.467 8.735 -6.035 1.00 0.27 H new ATOM 0 HG13 VAL B 17 -1.487 9.843 -4.643 1.00 0.27 H new ATOM 0 HG21 VAL B 17 1.549 10.413 -4.687 1.00 0.25 H new ATOM 0 HG22 VAL B 17 0.641 10.043 -3.202 1.00 0.25 H new ATOM 0 HG23 VAL B 17 2.058 9.062 -3.647 1.00 0.25 H new ATOM 1215 N ILE B 18 -2.103 6.064 -4.179 1.00 0.19 N ATOM 1216 CA ILE B 18 -2.930 5.062 -4.817 1.00 0.20 C ATOM 1217 C ILE B 18 -4.087 5.707 -5.562 1.00 0.18 C ATOM 1218 O ILE B 18 -4.964 6.329 -4.965 1.00 0.18 O ATOM 1219 CB ILE B 18 -3.458 4.031 -3.792 1.00 0.24 C ATOM 1220 CG1 ILE B 18 -2.318 3.098 -3.379 1.00 0.39 C ATOM 1221 CG2 ILE B 18 -4.634 3.246 -4.360 1.00 0.25 C ATOM 1222 CD1 ILE B 18 -2.758 1.922 -2.536 1.00 0.82 C ATOM 0 H ILE B 18 -2.449 6.378 -3.272 1.00 0.19 H new ATOM 0 HA ILE B 18 -2.306 4.533 -5.537 1.00 0.20 H new ATOM 0 HB ILE B 18 -3.821 4.559 -2.910 1.00 0.24 H new ATOM 0 HG12 ILE B 18 -1.826 2.724 -4.277 1.00 0.39 H new ATOM 0 HG13 ILE B 18 -1.576 3.672 -2.824 1.00 0.39 H new ATOM 0 HG21 ILE B 18 -4.985 2.529 -3.618 1.00 0.25 H new ATOM 0 HG22 ILE B 18 -5.442 3.933 -4.612 1.00 0.25 H new ATOM 0 HG23 ILE B 18 -4.317 2.714 -5.257 1.00 0.25 H new ATOM 0 HD11 ILE B 18 -1.892 1.310 -2.285 1.00 0.82 H new ATOM 0 HD12 ILE B 18 -3.223 2.285 -1.620 1.00 0.82 H new ATOM 0 HD13 ILE B 18 -3.477 1.322 -3.095 1.00 0.82 H new ATOM 1234 N PRO B 19 -4.069 5.609 -6.891 1.00 0.21 N ATOM 1235 CA PRO B 19 -5.171 6.065 -7.727 1.00 0.23 C ATOM 1236 C PRO B 19 -6.527 5.512 -7.301 1.00 0.21 C ATOM 1237 O PRO B 19 -6.641 4.428 -6.719 1.00 0.21 O ATOM 1238 CB PRO B 19 -4.807 5.523 -9.096 1.00 0.28 C ATOM 1239 CG PRO B 19 -3.325 5.529 -9.092 1.00 0.30 C ATOM 1240 CD PRO B 19 -2.944 5.103 -7.702 1.00 0.27 C ATOM 0 HA PRO B 19 -5.284 7.148 -7.675 1.00 0.23 H new ATOM 0 HB2 PRO B 19 -5.203 4.519 -9.248 1.00 0.28 H new ATOM 0 HB3 PRO B 19 -5.208 6.148 -9.894 1.00 0.28 H new ATOM 0 HG2 PRO B 19 -2.924 4.844 -9.840 1.00 0.30 H new ATOM 0 HG3 PRO B 19 -2.933 6.519 -9.324 1.00 0.30 H new ATOM 0 HD2 PRO B 19 -2.842 4.021 -7.623 1.00 0.27 H new ATOM 0 HD3 PRO B 19 -1.993 5.536 -7.391 1.00 0.27 H new ATOM 1248 N LYS B 20 -7.555 6.254 -7.638 1.00 0.23 N ATOM 1249 CA LYS B 20 -8.924 5.876 -7.350 1.00 0.23 C ATOM 1250 C LYS B 20 -9.343 4.669 -8.173 1.00 0.21 C ATOM 1251 O LYS B 20 -10.375 4.093 -7.911 1.00 0.22 O ATOM 1252 CB LYS B 20 -9.897 7.042 -7.593 1.00 0.28 C ATOM 1253 CG LYS B 20 -9.460 8.031 -8.677 1.00 0.39 C ATOM 1254 CD LYS B 20 -8.337 8.965 -8.219 1.00 0.53 C ATOM 1255 CE LYS B 20 -8.862 10.193 -7.480 1.00 0.90 C ATOM 1256 NZ LYS B 20 -9.552 9.846 -6.207 1.00 1.77 N ATOM 0 H LYS B 20 -7.467 7.146 -8.125 1.00 0.23 H new ATOM 0 HA LYS B 20 -8.967 5.612 -6.293 1.00 0.23 H new ATOM 0 HB2 LYS B 20 -10.870 6.633 -7.865 1.00 0.28 H new ATOM 0 HB3 LYS B 20 -10.030 7.586 -6.658 1.00 0.28 H new ATOM 0 HG2 LYS B 20 -9.128 7.476 -9.554 1.00 0.39 H new ATOM 0 HG3 LYS B 20 -10.319 8.628 -8.984 1.00 0.39 H new ATOM 0 HD2 LYS B 20 -7.656 8.417 -7.568 1.00 0.53 H new ATOM 0 HD3 LYS B 20 -7.760 9.286 -9.086 1.00 0.53 H new ATOM 0 HE2 LYS B 20 -8.032 10.866 -7.267 1.00 0.90 H new ATOM 0 HE3 LYS B 20 -9.553 10.734 -8.127 1.00 0.90 H new ATOM 0 HZ1 LYS B 20 -9.708 10.710 -5.650 1.00 1.77 H new ATOM 0 HZ2 LYS B 20 -10.468 9.401 -6.419 1.00 1.77 H new ATOM 0 HZ3 LYS B 20 -8.963 9.184 -5.662 1.00 1.77 H new ATOM 1270 N GLU B 21 -8.575 4.305 -9.186 1.00 0.21 N ATOM 1271 CA GLU B 21 -8.888 3.106 -9.953 1.00 0.20 C ATOM 1272 C GLU B 21 -8.731 1.837 -9.105 1.00 0.20 C ATOM 1273 O GLU B 21 -9.340 0.800 -9.397 1.00 0.20 O ATOM 1274 CB GLU B 21 -8.054 3.039 -11.233 1.00 0.23 C ATOM 1275 CG GLU B 21 -6.562 3.170 -11.017 1.00 0.47 C ATOM 1276 CD GLU B 21 -5.808 3.311 -12.324 1.00 1.08 C ATOM 1277 OE1 GLU B 21 -5.483 2.276 -12.942 1.00 1.92 O ATOM 1278 OE2 GLU B 21 -5.552 4.461 -12.744 1.00 1.53 O ATOM 0 H GLU B 21 -7.744 4.810 -9.494 1.00 0.21 H new ATOM 0 HA GLU B 21 -9.936 3.165 -10.247 1.00 0.20 H new ATOM 0 HB2 GLU B 21 -8.254 2.091 -11.733 1.00 0.23 H new ATOM 0 HB3 GLU B 21 -8.382 3.830 -11.907 1.00 0.23 H new ATOM 0 HG2 GLU B 21 -6.362 4.037 -10.388 1.00 0.47 H new ATOM 0 HG3 GLU B 21 -6.196 2.295 -10.480 1.00 0.47 H new ATOM 1285 N ILE B 22 -7.975 1.928 -8.014 1.00 0.22 N ATOM 1286 CA ILE B 22 -7.825 0.786 -7.126 1.00 0.25 C ATOM 1287 C ILE B 22 -8.943 0.818 -6.088 1.00 0.24 C ATOM 1288 O ILE B 22 -9.595 -0.190 -5.841 1.00 0.24 O ATOM 1289 CB ILE B 22 -6.444 0.729 -6.431 1.00 0.32 C ATOM 1290 CG1 ILE B 22 -5.327 0.673 -7.473 1.00 0.28 C ATOM 1291 CG2 ILE B 22 -6.359 -0.484 -5.511 1.00 0.44 C ATOM 1292 CD1 ILE B 22 -4.862 2.032 -7.935 1.00 0.25 C ATOM 0 H ILE B 22 -7.467 2.765 -7.730 1.00 0.22 H new ATOM 0 HA ILE B 22 -7.892 -0.116 -7.734 1.00 0.25 H new ATOM 0 HB ILE B 22 -6.323 1.632 -5.832 1.00 0.32 H new ATOM 0 HG12 ILE B 22 -4.479 0.131 -7.055 1.00 0.28 H new ATOM 0 HG13 ILE B 22 -5.675 0.105 -8.336 1.00 0.28 H new ATOM 0 HG21 ILE B 22 -5.381 -0.508 -5.030 1.00 0.44 H new ATOM 0 HG22 ILE B 22 -7.136 -0.418 -4.749 1.00 0.44 H new ATOM 0 HG23 ILE B 22 -6.499 -1.394 -6.095 1.00 0.44 H new ATOM 0 HD11 ILE B 22 -4.069 1.914 -8.673 1.00 0.25 H new ATOM 0 HD12 ILE B 22 -5.698 2.570 -8.383 1.00 0.25 H new ATOM 0 HD13 ILE B 22 -4.483 2.596 -7.083 1.00 0.25 H new ATOM 1304 N ARG B 23 -9.186 2.009 -5.519 1.00 0.24 N ATOM 1305 CA ARG B 23 -10.339 2.236 -4.633 1.00 0.23 C ATOM 1306 C ARG B 23 -11.613 1.954 -5.407 1.00 0.22 C ATOM 1307 O ARG B 23 -12.657 1.626 -4.846 1.00 0.23 O ATOM 1308 CB ARG B 23 -10.306 3.670 -4.070 1.00 0.26 C ATOM 1309 CG ARG B 23 -10.559 4.777 -5.063 1.00 0.50 C ATOM 1310 CD ARG B 23 -12.021 5.010 -5.385 1.00 0.35 C ATOM 1311 NE ARG B 23 -12.387 6.425 -5.335 1.00 0.85 N ATOM 1312 CZ ARG B 23 -13.443 6.940 -5.964 1.00 0.95 C ATOM 1313 NH1 ARG B 23 -14.244 6.161 -6.683 1.00 1.36 N ATOM 1314 NH2 ARG B 23 -13.696 8.235 -5.870 1.00 1.40 N ATOM 0 H ARG B 23 -8.598 2.831 -5.657 1.00 0.24 H new ATOM 0 HA ARG B 23 -10.299 1.560 -3.779 1.00 0.23 H new ATOM 0 HB2 ARG B 23 -11.049 3.744 -3.276 1.00 0.26 H new ATOM 0 HB3 ARG B 23 -9.331 3.836 -3.611 1.00 0.26 H new ATOM 0 HG2 ARG B 23 -10.134 5.702 -4.673 1.00 0.50 H new ATOM 0 HG3 ARG B 23 -10.029 4.547 -5.987 1.00 0.50 H new ATOM 0 HD2 ARG B 23 -12.238 4.617 -6.378 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -12.638 4.453 -4.680 1.00 0.35 H new ATOM 0 HE ARG B 23 -11.800 7.054 -4.787 1.00 0.85 H new ATOM 0 HH11 ARG B 23 -14.052 5.162 -6.756 1.00 1.36 H new ATOM 0 HH12 ARG B 23 -15.050 6.562 -7.162 1.00 1.36 H new ATOM 0 HH21 ARG B 23 -13.084 8.835 -5.318 1.00 1.40 H new ATOM 0 HH22 ARG B 23 -14.503 8.633 -6.350 1.00 1.40 H new ATOM 1328 N ARG B 24 -11.491 2.096 -6.709 1.00 0.22 N ATOM 1329 CA ARG B 24 -12.545 1.755 -7.636 1.00 0.25 C ATOM 1330 C ARG B 24 -12.823 0.266 -7.617 1.00 0.26 C ATOM 1331 O ARG B 24 -13.972 -0.138 -7.454 1.00 0.28 O ATOM 1332 CB ARG B 24 -12.188 2.201 -9.049 1.00 0.29 C ATOM 1333 CG ARG B 24 -13.088 1.631 -10.124 1.00 0.42 C ATOM 1334 CD ARG B 24 -12.759 2.237 -11.476 1.00 0.55 C ATOM 1335 NE ARG B 24 -13.013 3.675 -11.493 1.00 1.47 N ATOM 1336 CZ ARG B 24 -12.310 4.553 -12.204 1.00 2.06 C ATOM 1337 NH1 ARG B 24 -11.338 4.141 -13.009 1.00 1.83 N ATOM 1338 NH2 ARG B 24 -12.595 5.844 -12.119 1.00 3.19 N ATOM 0 H ARG B 24 -10.648 2.455 -7.157 1.00 0.22 H new ATOM 0 HA ARG B 24 -13.447 2.280 -7.321 1.00 0.25 H new ATOM 0 HB2 ARG B 24 -12.229 3.289 -9.096 1.00 0.29 H new ATOM 0 HB3 ARG B 24 -11.159 1.911 -9.261 1.00 0.29 H new ATOM 0 HG2 ARG B 24 -12.971 0.548 -10.167 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -14.131 1.829 -9.875 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -11.713 2.048 -11.716 1.00 0.55 H new ATOM 0 HD3 ARG B 24 -13.356 1.752 -12.248 1.00 0.55 H new ATOM 0 HE ARG B 24 -13.780 4.030 -10.922 1.00 1.47 H new ATOM 0 HH11 ARG B 24 -11.126 3.146 -13.085 1.00 1.83 H new ATOM 0 HH12 ARG B 24 -10.803 4.819 -13.551 1.00 1.83 H new ATOM 0 HH21 ARG B 24 -13.350 6.161 -11.511 1.00 3.19 H new ATOM 0 HH22 ARG B 24 -12.059 6.521 -12.662 1.00 3.19 H new ATOM 1352 N THR B 25 -11.793 -0.570 -7.788 1.00 0.26 N ATOM 1353 CA THR B 25 -11.975 -2.006 -7.645 1.00 0.29 C ATOM 1354 C THR B 25 -12.392 -2.364 -6.217 1.00 0.28 C ATOM 1355 O THR B 25 -13.099 -3.347 -5.990 1.00 0.33 O ATOM 1356 CB THR B 25 -10.671 -2.747 -7.998 1.00 0.32 C ATOM 1357 OG1 THR B 25 -10.215 -2.335 -9.291 1.00 0.35 O ATOM 1358 CG2 THR B 25 -10.868 -4.256 -7.979 1.00 0.40 C ATOM 0 H THR B 25 -10.844 -0.278 -8.021 1.00 0.26 H new ATOM 0 HA THR B 25 -12.765 -2.314 -8.330 1.00 0.29 H new ATOM 0 HB THR B 25 -9.924 -2.494 -7.246 1.00 0.32 H new ATOM 0 HG1 THR B 25 -9.385 -2.807 -9.511 1.00 0.35 H new ATOM 0 HG21 THR B 25 -9.929 -4.749 -8.232 1.00 0.40 H new ATOM 0 HG22 THR B 25 -11.185 -4.569 -6.984 1.00 0.40 H new ATOM 0 HG23 THR B 25 -11.631 -4.533 -8.707 1.00 0.40 H new ATOM 1366 N LEU B 26 -11.959 -1.546 -5.262 1.00 0.26 N ATOM 1367 CA LEU B 26 -12.375 -1.690 -3.872 1.00 0.26 C ATOM 1368 C LEU B 26 -13.875 -1.470 -3.751 1.00 0.26 C ATOM 1369 O LEU B 26 -14.499 -1.911 -2.785 1.00 0.29 O ATOM 1370 CB LEU B 26 -11.641 -0.675 -2.984 1.00 0.24 C ATOM 1371 CG LEU B 26 -10.431 -1.205 -2.202 1.00 0.27 C ATOM 1372 CD1 LEU B 26 -10.839 -2.354 -1.298 1.00 0.33 C ATOM 1373 CD2 LEU B 26 -9.317 -1.648 -3.139 1.00 0.27 C ATOM 0 H LEU B 26 -11.316 -0.772 -5.428 1.00 0.26 H new ATOM 0 HA LEU B 26 -12.126 -2.699 -3.542 1.00 0.26 H new ATOM 0 HB2 LEU B 26 -11.307 0.151 -3.612 1.00 0.24 H new ATOM 0 HB3 LEU B 26 -12.356 -0.264 -2.271 1.00 0.24 H new ATOM 0 HG LEU B 26 -10.054 -0.388 -1.587 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -9.967 -2.715 -0.753 1.00 0.33 H new ATOM 0 HD12 LEU B 26 -11.593 -2.010 -0.590 1.00 0.33 H new ATOM 0 HD13 LEU B 26 -11.250 -3.163 -1.901 1.00 0.33 H new ATOM 0 HD21 LEU B 26 -8.475 -2.018 -2.554 1.00 0.27 H new ATOM 0 HD22 LEU B 26 -9.683 -2.442 -3.790 1.00 0.27 H new ATOM 0 HD23 LEU B 26 -8.994 -0.802 -3.745 1.00 0.27 H new ATOM 1385 N ARG B 27 -14.438 -0.803 -4.764 1.00 0.27 N ATOM 1386 CA ARG B 27 -15.846 -0.447 -4.805 1.00 0.32 C ATOM 1387 C ARG B 27 -16.147 0.595 -3.742 1.00 0.31 C ATOM 1388 O ARG B 27 -17.283 0.743 -3.288 1.00 0.34 O ATOM 1389 CB ARG B 27 -16.699 -1.691 -4.628 1.00 0.37 C ATOM 1390 CG ARG B 27 -16.496 -2.691 -5.747 1.00 0.75 C ATOM 1391 CD ARG B 27 -17.025 -2.172 -7.069 1.00 1.00 C ATOM 1392 NE ARG B 27 -16.443 -2.883 -8.208 1.00 1.79 N ATOM 1393 CZ ARG B 27 -16.731 -2.615 -9.479 1.00 2.41 C ATOM 1394 NH1 ARG B 27 -17.672 -1.723 -9.779 1.00 2.67 N ATOM 1395 NH2 ARG B 27 -16.088 -3.251 -10.453 1.00 3.28 N ATOM 0 H ARG B 27 -13.916 -0.495 -5.584 1.00 0.27 H new ATOM 0 HA ARG B 27 -16.086 -0.013 -5.775 1.00 0.32 H new ATOM 0 HB2 ARG B 27 -16.458 -2.162 -3.675 1.00 0.37 H new ATOM 0 HB3 ARG B 27 -17.750 -1.405 -4.585 1.00 0.37 H new ATOM 0 HG2 ARG B 27 -15.434 -2.917 -5.844 1.00 0.75 H new ATOM 0 HG3 ARG B 27 -16.999 -3.625 -5.496 1.00 0.75 H new ATOM 0 HD2 ARG B 27 -18.110 -2.277 -7.092 1.00 1.00 H new ATOM 0 HD3 ARG B 27 -16.805 -1.108 -7.155 1.00 1.00 H new ATOM 0 HE ARG B 27 -15.776 -3.630 -8.016 1.00 1.79 H new ATOM 0 HH11 ARG B 27 -18.175 -1.242 -9.033 1.00 2.67 H new ATOM 0 HH12 ARG B 27 -17.890 -1.520 -10.755 1.00 2.67 H new ATOM 0 HH21 ARG B 27 -15.375 -3.944 -10.226 1.00 3.28 H new ATOM 0 HH22 ARG B 27 -16.308 -3.046 -11.428 1.00 3.28 H new ATOM 1409 N ILE B 28 -15.107 1.329 -3.373 1.00 0.29 N ATOM 1410 CA ILE B 28 -15.185 2.336 -2.328 1.00 0.30 C ATOM 1411 C ILE B 28 -14.694 3.679 -2.881 1.00 0.30 C ATOM 1412 O ILE B 28 -14.665 3.869 -4.098 1.00 0.33 O ATOM 1413 CB ILE B 28 -14.371 1.881 -1.086 1.00 0.31 C ATOM 1414 CG1 ILE B 28 -14.657 0.399 -0.828 1.00 0.34 C ATOM 1415 CG2 ILE B 28 -14.759 2.692 0.148 1.00 0.34 C ATOM 1416 CD1 ILE B 28 -13.824 -0.218 0.265 1.00 0.37 C ATOM 0 H ILE B 28 -14.182 1.241 -3.793 1.00 0.29 H new ATOM 0 HA ILE B 28 -16.219 2.462 -2.006 1.00 0.30 H new ATOM 0 HB ILE B 28 -13.310 2.039 -1.281 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -15.711 0.285 -0.573 1.00 0.34 H new ATOM 0 HG13 ILE B 28 -14.491 -0.156 -1.751 1.00 0.34 H new ATOM 0 HG21 ILE B 28 -14.175 2.354 1.004 1.00 0.34 H new ATOM 0 HG22 ILE B 28 -14.559 3.748 -0.033 1.00 0.34 H new ATOM 0 HG23 ILE B 28 -15.820 2.554 0.355 1.00 0.34 H new ATOM 0 HD11 ILE B 28 -14.093 -1.268 0.379 1.00 0.37 H new ATOM 0 HD12 ILE B 28 -12.768 -0.140 0.006 1.00 0.37 H new ATOM 0 HD13 ILE B 28 -14.007 0.307 1.202 1.00 0.37 H new ATOM 1428 N ARG B 29 -14.337 4.609 -2.012 1.00 0.28 N ATOM 1429 CA ARG B 29 -14.000 5.961 -2.442 1.00 0.30 C ATOM 1430 C ARG B 29 -12.968 6.612 -1.532 1.00 0.27 C ATOM 1431 O ARG B 29 -12.264 5.929 -0.793 1.00 0.25 O ATOM 1432 CB ARG B 29 -15.289 6.799 -2.541 1.00 0.33 C ATOM 1433 CG ARG B 29 -16.143 6.798 -1.277 1.00 0.57 C ATOM 1434 CD ARG B 29 -15.512 7.636 -0.187 1.00 0.59 C ATOM 1435 NE ARG B 29 -16.210 7.532 1.091 1.00 1.03 N ATOM 1436 CZ ARG B 29 -16.582 8.582 1.821 1.00 1.47 C ATOM 1437 NH1 ARG B 29 -16.385 9.815 1.366 1.00 2.15 N ATOM 1438 NH2 ARG B 29 -17.147 8.400 3.006 1.00 1.99 N ATOM 0 H ARG B 29 -14.272 4.456 -1.006 1.00 0.28 H new ATOM 0 HA ARG B 29 -13.537 5.908 -3.427 1.00 0.30 H new ATOM 0 HB2 ARG B 29 -15.021 7.828 -2.782 1.00 0.33 H new ATOM 0 HB3 ARG B 29 -15.889 6.423 -3.370 1.00 0.33 H new ATOM 0 HG2 ARG B 29 -17.136 7.184 -1.506 1.00 0.57 H new ATOM 0 HG3 ARG B 29 -16.272 5.775 -0.924 1.00 0.57 H new ATOM 0 HD2 ARG B 29 -14.475 7.328 -0.054 1.00 0.59 H new ATOM 0 HD3 ARG B 29 -15.496 8.679 -0.502 1.00 0.59 H new ATOM 0 HE ARG B 29 -16.425 6.600 1.446 1.00 1.03 H new ATOM 0 HH11 ARG B 29 -15.948 9.959 0.456 1.00 2.15 H new ATOM 0 HH12 ARG B 29 -16.671 10.617 1.927 1.00 2.15 H new ATOM 0 HH21 ARG B 29 -17.297 7.455 3.360 1.00 1.99 H new ATOM 0 HH22 ARG B 29 -17.432 9.205 3.564 1.00 1.99 H new ATOM 1452 N GLU B 30 -12.896 7.941 -1.597 1.00 0.30 N ATOM 1453 CA GLU B 30 -11.943 8.731 -0.816 1.00 0.31 C ATOM 1454 C GLU B 30 -12.288 8.761 0.674 1.00 0.30 C ATOM 1455 O GLU B 30 -12.120 9.775 1.354 1.00 0.36 O ATOM 1456 CB GLU B 30 -11.891 10.148 -1.362 1.00 0.39 C ATOM 1457 CG GLU B 30 -11.003 10.281 -2.580 1.00 0.44 C ATOM 1458 CD GLU B 30 -11.566 9.606 -3.813 1.00 0.55 C ATOM 1459 OE1 GLU B 30 -12.502 10.165 -4.420 1.00 1.08 O ATOM 1460 OE2 GLU B 30 -11.082 8.521 -4.188 1.00 1.18 O ATOM 0 H GLU B 30 -13.500 8.504 -2.196 1.00 0.30 H new ATOM 0 HA GLU B 30 -10.968 8.253 -0.910 1.00 0.31 H new ATOM 0 HB2 GLU B 30 -12.900 10.470 -1.618 1.00 0.39 H new ATOM 0 HB3 GLU B 30 -11.531 10.819 -0.582 1.00 0.39 H new ATOM 0 HG2 GLU B 30 -10.848 11.339 -2.793 1.00 0.44 H new ATOM 0 HG3 GLU B 30 -10.025 9.854 -2.356 1.00 0.44 H new ATOM 1467 N GLY B 31 -12.760 7.630 1.166 1.00 0.26 N ATOM 1468 CA GLY B 31 -13.004 7.446 2.576 1.00 0.26 C ATOM 1469 C GLY B 31 -12.868 5.990 2.946 1.00 0.27 C ATOM 1470 O GLY B 31 -13.352 5.550 3.988 1.00 0.35 O ATOM 0 H GLY B 31 -12.984 6.815 0.595 1.00 0.26 H new ATOM 0 HA2 GLY B 31 -12.299 8.043 3.155 1.00 0.26 H new ATOM 0 HA3 GLY B 31 -14.003 7.800 2.828 1.00 0.26 H new ATOM 1474 N ASP B 32 -12.203 5.248 2.071 1.00 0.27 N ATOM 1475 CA ASP B 32 -11.887 3.851 2.322 1.00 0.29 C ATOM 1476 C ASP B 32 -10.702 3.759 3.261 1.00 0.26 C ATOM 1477 O ASP B 32 -9.680 4.420 3.062 1.00 0.29 O ATOM 1478 CB ASP B 32 -11.559 3.124 1.017 1.00 0.35 C ATOM 1479 CG ASP B 32 -11.148 1.676 1.230 1.00 0.41 C ATOM 1480 OD1 ASP B 32 -11.826 0.975 2.014 1.00 1.29 O ATOM 1481 OD2 ASP B 32 -10.177 1.236 0.587 1.00 1.07 O ATOM 0 H ASP B 32 -11.869 5.596 1.172 1.00 0.27 H new ATOM 0 HA ASP B 32 -12.757 3.377 2.775 1.00 0.29 H new ATOM 0 HB2 ASP B 32 -12.429 3.156 0.361 1.00 0.35 H new ATOM 0 HB3 ASP B 32 -10.755 3.653 0.505 1.00 0.35 H new ATOM 1486 N PRO B 33 -10.842 2.980 4.318 1.00 0.21 N ATOM 1487 CA PRO B 33 -9.757 2.688 5.213 1.00 0.24 C ATOM 1488 C PRO B 33 -8.899 1.579 4.665 1.00 0.41 C ATOM 1489 O PRO B 33 -9.373 0.729 3.934 1.00 1.10 O ATOM 1490 CB PRO B 33 -10.435 2.239 6.505 1.00 0.19 C ATOM 1491 CG PRO B 33 -11.900 2.123 6.196 1.00 0.12 C ATOM 1492 CD PRO B 33 -12.068 2.302 4.709 1.00 0.20 C ATOM 0 HA PRO B 33 -9.103 3.548 5.359 1.00 0.24 H new ATOM 0 HB2 PRO B 33 -10.033 1.284 6.843 1.00 0.19 H new ATOM 0 HB3 PRO B 33 -10.262 2.959 7.305 1.00 0.19 H new ATOM 0 HG2 PRO B 33 -12.282 1.152 6.510 1.00 0.12 H new ATOM 0 HG3 PRO B 33 -12.467 2.879 6.739 1.00 0.12 H new ATOM 0 HD2 PRO B 33 -12.180 1.346 4.198 1.00 0.20 H new ATOM 0 HD3 PRO B 33 -12.951 2.896 4.472 1.00 0.20 H new ATOM 1500 N LEU B 34 -7.634 1.600 4.989 1.00 0.25 N ATOM 1501 CA LEU B 34 -6.769 0.510 4.624 1.00 0.19 C ATOM 1502 C LEU B 34 -5.874 0.162 5.785 1.00 0.19 C ATOM 1503 O LEU B 34 -5.506 1.014 6.565 1.00 0.22 O ATOM 1504 CB LEU B 34 -5.928 0.847 3.397 1.00 0.19 C ATOM 1505 CG LEU B 34 -6.693 1.502 2.255 1.00 0.27 C ATOM 1506 CD1 LEU B 34 -6.161 2.900 1.996 1.00 0.32 C ATOM 1507 CD2 LEU B 34 -6.618 0.648 0.997 1.00 0.44 C ATOM 0 H LEU B 34 -7.181 2.356 5.503 1.00 0.25 H new ATOM 0 HA LEU B 34 -7.393 -0.347 4.372 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -5.119 1.511 3.701 1.00 0.19 H new ATOM 0 HB3 LEU B 34 -5.467 -0.069 3.028 1.00 0.19 H new ATOM 0 HG LEU B 34 -7.741 1.584 2.542 1.00 0.27 H new ATOM 0 HD11 LEU B 34 -6.718 3.355 1.177 1.00 0.32 H new ATOM 0 HD12 LEU B 34 -6.277 3.506 2.895 1.00 0.32 H new ATOM 0 HD13 LEU B 34 -5.105 2.844 1.730 1.00 0.32 H new ATOM 0 HD21 LEU B 34 -7.171 1.134 0.194 1.00 0.44 H new ATOM 0 HD22 LEU B 34 -5.576 0.529 0.700 1.00 0.44 H new ATOM 0 HD23 LEU B 34 -7.053 -0.331 1.196 1.00 0.44 H new ATOM 1519 N GLU B 35 -5.503 -1.082 5.841 1.00 0.18 N ATOM 1520 CA GLU B 35 -4.644 -1.569 6.893 1.00 0.17 C ATOM 1521 C GLU B 35 -3.287 -1.771 6.309 1.00 0.13 C ATOM 1522 O GLU B 35 -3.132 -2.618 5.443 1.00 0.12 O ATOM 1523 CB GLU B 35 -5.149 -2.871 7.503 1.00 0.20 C ATOM 1524 CG GLU B 35 -4.228 -3.447 8.571 1.00 0.21 C ATOM 1525 CD GLU B 35 -4.709 -4.786 9.094 1.00 0.28 C ATOM 1526 OE1 GLU B 35 -4.377 -5.823 8.480 1.00 1.10 O ATOM 1527 OE2 GLU B 35 -5.416 -4.810 10.118 1.00 1.09 O ATOM 0 H GLU B 35 -5.783 -1.791 5.163 1.00 0.18 H new ATOM 0 HA GLU B 35 -4.625 -0.838 7.701 1.00 0.17 H new ATOM 0 HB2 GLU B 35 -6.133 -2.699 7.939 1.00 0.20 H new ATOM 0 HB3 GLU B 35 -5.276 -3.608 6.710 1.00 0.20 H new ATOM 0 HG2 GLU B 35 -3.226 -3.561 8.158 1.00 0.21 H new ATOM 0 HG3 GLU B 35 -4.153 -2.743 9.400 1.00 0.21 H new ATOM 1534 N ILE B 36 -2.341 -0.964 6.754 1.00 0.12 N ATOM 1535 CA ILE B 36 -0.981 -1.015 6.270 1.00 0.11 C ATOM 1536 C ILE B 36 -0.189 -1.997 7.111 1.00 0.11 C ATOM 1537 O ILE B 36 0.061 -1.752 8.292 1.00 0.14 O ATOM 1538 CB ILE B 36 -0.306 0.386 6.352 1.00 0.13 C ATOM 1539 CG1 ILE B 36 -0.904 1.362 5.333 1.00 0.15 C ATOM 1540 CG2 ILE B 36 1.200 0.289 6.154 1.00 0.17 C ATOM 1541 CD1 ILE B 36 -2.253 1.939 5.713 1.00 0.62 C ATOM 0 H ILE B 36 -2.500 -0.251 7.466 1.00 0.12 H new ATOM 0 HA ILE B 36 -0.997 -1.333 5.227 1.00 0.11 H new ATOM 0 HB ILE B 36 -0.502 0.771 7.353 1.00 0.13 H new ATOM 0 HG12 ILE B 36 -0.203 2.184 5.185 1.00 0.15 H new ATOM 0 HG13 ILE B 36 -1.002 0.850 4.376 1.00 0.15 H new ATOM 0 HG21 ILE B 36 1.640 1.284 6.217 1.00 0.17 H new ATOM 0 HG22 ILE B 36 1.629 -0.347 6.928 1.00 0.17 H new ATOM 0 HG23 ILE B 36 1.411 -0.140 5.174 1.00 0.17 H new ATOM 0 HD11 ILE B 36 -2.592 2.617 4.930 1.00 0.62 H new ATOM 0 HD12 ILE B 36 -2.974 1.130 5.831 1.00 0.62 H new ATOM 0 HD13 ILE B 36 -2.164 2.485 6.652 1.00 0.62 H new ATOM 1553 N PHE B 37 0.164 -3.119 6.519 1.00 0.10 N ATOM 1554 CA PHE B 37 1.012 -4.084 7.186 1.00 0.11 C ATOM 1555 C PHE B 37 1.850 -4.821 6.162 1.00 0.10 C ATOM 1556 O PHE B 37 1.344 -5.280 5.148 1.00 0.10 O ATOM 1557 CB PHE B 37 0.188 -5.059 8.045 1.00 0.12 C ATOM 1558 CG PHE B 37 -0.237 -6.324 7.348 1.00 0.21 C ATOM 1559 CD1 PHE B 37 -1.415 -6.378 6.628 1.00 1.09 C ATOM 1560 CD2 PHE B 37 0.552 -7.466 7.417 1.00 1.16 C ATOM 1561 CE1 PHE B 37 -1.798 -7.543 5.990 1.00 1.14 C ATOM 1562 CE2 PHE B 37 0.173 -8.630 6.782 1.00 1.20 C ATOM 1563 CZ PHE B 37 -1.003 -8.669 6.066 1.00 0.49 C ATOM 0 H PHE B 37 -0.123 -3.385 5.577 1.00 0.10 H new ATOM 0 HA PHE B 37 1.678 -3.552 7.865 1.00 0.11 H new ATOM 0 HB2 PHE B 37 0.773 -5.327 8.925 1.00 0.12 H new ATOM 0 HB3 PHE B 37 -0.703 -4.542 8.400 1.00 0.12 H new ATOM 0 HD1 PHE B 37 -2.043 -5.502 6.563 1.00 1.09 H new ATOM 0 HD2 PHE B 37 1.476 -7.442 7.976 1.00 1.16 H new ATOM 0 HE1 PHE B 37 -2.721 -7.572 5.431 1.00 1.14 H new ATOM 0 HE2 PHE B 37 0.797 -9.509 6.846 1.00 1.20 H new ATOM 0 HZ PHE B 37 -1.302 -9.578 5.565 1.00 0.49 H new ATOM 1573 N VAL B 38 3.135 -4.909 6.414 1.00 0.10 N ATOM 1574 CA VAL B 38 4.024 -5.598 5.501 1.00 0.10 C ATOM 1575 C VAL B 38 3.986 -7.098 5.738 1.00 0.13 C ATOM 1576 O VAL B 38 4.015 -7.569 6.878 1.00 0.20 O ATOM 1577 CB VAL B 38 5.474 -5.055 5.601 1.00 0.13 C ATOM 1578 CG1 VAL B 38 5.860 -4.789 7.050 1.00 0.18 C ATOM 1579 CG2 VAL B 38 6.476 -6.011 4.956 1.00 0.17 C ATOM 0 H VAL B 38 3.589 -4.515 7.238 1.00 0.10 H new ATOM 0 HA VAL B 38 3.672 -5.405 4.488 1.00 0.10 H new ATOM 0 HB VAL B 38 5.504 -4.113 5.054 1.00 0.13 H new ATOM 0 HG11 VAL B 38 6.881 -4.409 7.091 1.00 0.18 H new ATOM 0 HG12 VAL B 38 5.181 -4.051 7.478 1.00 0.18 H new ATOM 0 HG13 VAL B 38 5.795 -5.716 7.620 1.00 0.18 H new ATOM 0 HG21 VAL B 38 7.481 -5.599 5.045 1.00 0.17 H new ATOM 0 HG22 VAL B 38 6.434 -6.976 5.460 1.00 0.17 H new ATOM 0 HG23 VAL B 38 6.229 -6.141 3.902 1.00 0.17 H new ATOM 1589 N ASP B 39 3.913 -7.823 4.634 1.00 0.14 N ATOM 1590 CA ASP B 39 3.753 -9.271 4.641 1.00 0.19 C ATOM 1591 C ASP B 39 5.080 -9.970 4.872 1.00 0.42 C ATOM 1592 O ASP B 39 5.203 -10.824 5.746 1.00 1.05 O ATOM 1593 CB ASP B 39 3.180 -9.725 3.298 1.00 0.26 C ATOM 1594 CG ASP B 39 2.871 -11.209 3.246 1.00 0.32 C ATOM 1595 OD1 ASP B 39 2.125 -11.704 4.115 1.00 1.14 O ATOM 1596 OD2 ASP B 39 3.364 -11.884 2.319 1.00 1.13 O ATOM 0 H ASP B 39 3.963 -7.421 3.698 1.00 0.14 H new ATOM 0 HA ASP B 39 3.075 -9.534 5.453 1.00 0.19 H new ATOM 0 HB2 ASP B 39 2.268 -9.164 3.092 1.00 0.26 H new ATOM 0 HB3 ASP B 39 3.890 -9.481 2.507 1.00 0.26 H new ATOM 1601 N ARG B 40 6.077 -9.589 4.092 1.00 0.46 N ATOM 1602 CA ARG B 40 7.330 -10.323 4.062 1.00 0.54 C ATOM 1603 C ARG B 40 8.543 -9.402 4.128 1.00 0.52 C ATOM 1604 O ARG B 40 8.852 -8.853 5.183 1.00 0.59 O ATOM 1605 CB ARG B 40 7.375 -11.206 2.817 1.00 0.65 C ATOM 1606 CG ARG B 40 6.700 -10.569 1.619 1.00 0.75 C ATOM 1607 CD ARG B 40 5.970 -11.602 0.792 1.00 0.77 C ATOM 1608 NE ARG B 40 6.864 -12.378 -0.062 1.00 1.29 N ATOM 1609 CZ ARG B 40 6.450 -13.062 -1.129 1.00 2.04 C ATOM 1610 NH1 ARG B 40 5.167 -13.043 -1.472 1.00 2.59 N ATOM 1611 NH2 ARG B 40 7.321 -13.750 -1.858 1.00 2.71 N ATOM 0 H ARG B 40 6.044 -8.779 3.473 1.00 0.46 H new ATOM 0 HA ARG B 40 7.374 -10.952 4.951 1.00 0.54 H new ATOM 0 HB2 ARG B 40 8.414 -11.424 2.569 1.00 0.65 H new ATOM 0 HB3 ARG B 40 6.893 -12.159 3.036 1.00 0.65 H new ATOM 0 HG2 ARG B 40 5.998 -9.807 1.956 1.00 0.75 H new ATOM 0 HG3 ARG B 40 7.445 -10.066 1.003 1.00 0.75 H new ATOM 0 HD2 ARG B 40 5.432 -12.278 1.456 1.00 0.77 H new ATOM 0 HD3 ARG B 40 5.225 -11.104 0.172 1.00 0.77 H new ATOM 0 HE ARG B 40 7.857 -12.398 0.170 1.00 1.29 H new ATOM 0 HH11 ARG B 40 4.499 -12.505 -0.919 1.00 2.59 H new ATOM 0 HH12 ARG B 40 4.849 -13.566 -2.288 1.00 2.59 H new ATOM 0 HH21 ARG B 40 8.308 -13.756 -1.602 1.00 2.71 H new ATOM 0 HH22 ARG B 40 7.003 -14.273 -2.674 1.00 2.71 H new ATOM 1625 N ASP B 41 9.211 -9.223 2.998 1.00 0.53 N ATOM 1626 CA ASP B 41 10.433 -8.429 2.947 1.00 0.56 C ATOM 1627 C ASP B 41 10.127 -6.943 2.949 1.00 0.48 C ATOM 1628 O ASP B 41 10.382 -6.244 3.927 1.00 0.59 O ATOM 1629 CB ASP B 41 11.255 -8.784 1.704 1.00 0.59 C ATOM 1630 CG ASP B 41 12.457 -7.871 1.531 1.00 0.62 C ATOM 1631 OD1 ASP B 41 13.387 -7.936 2.362 1.00 1.32 O ATOM 1632 OD2 ASP B 41 12.461 -7.065 0.579 1.00 1.18 O ATOM 0 H ASP B 41 8.928 -9.617 2.101 1.00 0.53 H new ATOM 0 HA ASP B 41 11.013 -8.663 3.840 1.00 0.56 H new ATOM 0 HB2 ASP B 41 11.593 -9.818 1.777 1.00 0.59 H new ATOM 0 HB3 ASP B 41 10.621 -8.718 0.820 1.00 0.59 H new ATOM 1637 N GLY B 42 9.582 -6.470 1.848 1.00 0.34 N ATOM 1638 CA GLY B 42 9.290 -5.063 1.723 1.00 0.26 C ATOM 1639 C GLY B 42 7.970 -4.820 1.042 1.00 0.18 C ATOM 1640 O GLY B 42 7.765 -3.778 0.431 1.00 0.17 O ATOM 0 H GLY B 42 9.335 -7.035 1.035 1.00 0.34 H new ATOM 0 HA2 GLY B 42 9.277 -4.606 2.712 1.00 0.26 H new ATOM 0 HA3 GLY B 42 10.085 -4.577 1.158 1.00 0.26 H new ATOM 1644 N GLU B 43 7.079 -5.795 1.130 1.00 0.15 N ATOM 1645 CA GLU B 43 5.758 -5.656 0.548 1.00 0.12 C ATOM 1646 C GLU B 43 4.778 -5.183 1.601 1.00 0.09 C ATOM 1647 O GLU B 43 4.498 -5.907 2.555 1.00 0.09 O ATOM 1648 CB GLU B 43 5.250 -6.978 -0.017 1.00 0.16 C ATOM 1649 CG GLU B 43 6.323 -7.883 -0.579 1.00 0.57 C ATOM 1650 CD GLU B 43 5.757 -8.842 -1.604 1.00 1.17 C ATOM 1651 OE1 GLU B 43 4.913 -9.680 -1.229 1.00 2.07 O ATOM 1652 OE2 GLU B 43 6.133 -8.740 -2.788 1.00 1.65 O ATOM 0 H GLU B 43 7.247 -6.686 1.597 1.00 0.15 H new ATOM 0 HA GLU B 43 5.835 -4.931 -0.262 1.00 0.12 H new ATOM 0 HB2 GLU B 43 4.719 -7.513 0.770 1.00 0.16 H new ATOM 0 HB3 GLU B 43 4.525 -6.766 -0.803 1.00 0.16 H new ATOM 0 HG2 GLU B 43 7.107 -7.279 -1.037 1.00 0.57 H new ATOM 0 HG3 GLU B 43 6.787 -8.446 0.231 1.00 0.57 H new ATOM 1659 N VAL B 44 4.266 -3.980 1.440 1.00 0.08 N ATOM 1660 CA VAL B 44 3.259 -3.474 2.348 1.00 0.07 C ATOM 1661 C VAL B 44 1.881 -3.819 1.822 1.00 0.07 C ATOM 1662 O VAL B 44 1.573 -3.578 0.666 1.00 0.08 O ATOM 1663 CB VAL B 44 3.331 -1.952 2.541 1.00 0.09 C ATOM 1664 CG1 VAL B 44 2.795 -1.579 3.911 1.00 0.10 C ATOM 1665 CG2 VAL B 44 4.747 -1.431 2.344 1.00 0.13 C ATOM 0 H VAL B 44 4.529 -3.338 0.693 1.00 0.08 H new ATOM 0 HA VAL B 44 3.449 -3.944 3.313 1.00 0.07 H new ATOM 0 HB VAL B 44 2.709 -1.479 1.781 1.00 0.09 H new ATOM 0 HG11 VAL B 44 2.849 -0.498 4.041 1.00 0.10 H new ATOM 0 HG12 VAL B 44 1.758 -1.903 3.997 1.00 0.10 H new ATOM 0 HG13 VAL B 44 3.393 -2.067 4.681 1.00 0.10 H new ATOM 0 HG21 VAL B 44 4.761 -0.351 2.488 1.00 0.13 H new ATOM 0 HG22 VAL B 44 5.412 -1.902 3.068 1.00 0.13 H new ATOM 0 HG23 VAL B 44 5.084 -1.667 1.335 1.00 0.13 H new ATOM 1675 N ILE B 45 1.065 -4.370 2.680 1.00 0.07 N ATOM 1676 CA ILE B 45 -0.266 -4.805 2.312 1.00 0.08 C ATOM 1677 C ILE B 45 -1.264 -3.874 2.959 1.00 0.09 C ATOM 1678 O ILE B 45 -1.287 -3.753 4.177 1.00 0.11 O ATOM 1679 CB ILE B 45 -0.543 -6.246 2.781 1.00 0.10 C ATOM 1680 CG1 ILE B 45 0.230 -7.262 1.928 1.00 0.10 C ATOM 1681 CG2 ILE B 45 -2.040 -6.562 2.732 1.00 0.12 C ATOM 1682 CD1 ILE B 45 1.733 -7.127 1.965 1.00 0.09 C ATOM 0 H ILE B 45 1.301 -4.533 3.659 1.00 0.07 H new ATOM 0 HA ILE B 45 -0.353 -4.785 1.226 1.00 0.08 H new ATOM 0 HB ILE B 45 -0.202 -6.324 3.813 1.00 0.10 H new ATOM 0 HG12 ILE B 45 -0.036 -8.266 2.259 1.00 0.10 H new ATOM 0 HG13 ILE B 45 -0.101 -7.169 0.894 1.00 0.10 H new ATOM 0 HG21 ILE B 45 -2.207 -7.585 3.068 1.00 0.12 H new ATOM 0 HG22 ILE B 45 -2.579 -5.874 3.383 1.00 0.12 H new ATOM 0 HG23 ILE B 45 -2.402 -6.452 1.710 1.00 0.12 H new ATOM 0 HD11 ILE B 45 2.183 -7.891 1.330 1.00 0.09 H new ATOM 0 HD12 ILE B 45 2.019 -6.139 1.603 1.00 0.09 H new ATOM 0 HD13 ILE B 45 2.085 -7.253 2.989 1.00 0.09 H new ATOM 1694 N LEU B 46 -2.035 -3.189 2.144 1.00 0.09 N ATOM 1695 CA LEU B 46 -3.058 -2.271 2.623 1.00 0.10 C ATOM 1696 C LEU B 46 -4.431 -2.810 2.268 1.00 0.11 C ATOM 1697 O LEU B 46 -4.748 -2.937 1.095 1.00 0.11 O ATOM 1698 CB LEU B 46 -2.871 -0.914 1.949 1.00 0.11 C ATOM 1699 CG LEU B 46 -1.465 -0.667 1.423 1.00 0.10 C ATOM 1700 CD1 LEU B 46 -1.485 0.450 0.402 1.00 0.15 C ATOM 1701 CD2 LEU B 46 -0.514 -0.341 2.564 1.00 0.13 C ATOM 0 H LEU B 46 -1.974 -3.249 1.128 1.00 0.09 H new ATOM 0 HA LEU B 46 -2.972 -2.166 3.705 1.00 0.10 H new ATOM 0 HB2 LEU B 46 -3.576 -0.832 1.122 1.00 0.11 H new ATOM 0 HB3 LEU B 46 -3.123 -0.129 2.662 1.00 0.11 H new ATOM 0 HG LEU B 46 -1.106 -1.575 0.939 1.00 0.10 H new ATOM 0 HD11 LEU B 46 -0.475 0.621 0.030 1.00 0.15 H new ATOM 0 HD12 LEU B 46 -2.135 0.173 -0.428 1.00 0.15 H new ATOM 0 HD13 LEU B 46 -1.859 1.362 0.867 1.00 0.15 H new ATOM 0 HD21 LEU B 46 0.486 -0.168 2.166 1.00 0.13 H new ATOM 0 HD22 LEU B 46 -0.859 0.555 3.081 1.00 0.13 H new ATOM 0 HD23 LEU B 46 -0.486 -1.176 3.264 1.00 0.13 H new ATOM 1713 N LYS B 47 -5.255 -3.125 3.250 1.00 0.12 N ATOM 1714 CA LYS B 47 -6.592 -3.628 2.918 1.00 0.16 C ATOM 1715 C LYS B 47 -7.686 -2.838 3.616 1.00 0.14 C ATOM 1716 O LYS B 47 -7.462 -2.272 4.669 1.00 0.14 O ATOM 1717 CB LYS B 47 -6.708 -5.141 3.177 1.00 0.22 C ATOM 1718 CG LYS B 47 -7.293 -5.568 4.515 1.00 0.24 C ATOM 1719 CD LYS B 47 -6.403 -5.209 5.686 1.00 0.40 C ATOM 1720 CE LYS B 47 -4.934 -5.511 5.424 1.00 0.52 C ATOM 1721 NZ LYS B 47 -4.670 -6.956 5.255 1.00 0.95 N ATOM 0 H LYS B 47 -5.044 -3.050 4.245 1.00 0.12 H new ATOM 0 HA LYS B 47 -6.738 -3.478 1.848 1.00 0.16 H new ATOM 0 HB2 LYS B 47 -7.319 -5.575 2.386 1.00 0.22 H new ATOM 0 HB3 LYS B 47 -5.713 -5.578 3.087 1.00 0.22 H new ATOM 0 HG2 LYS B 47 -8.267 -5.097 4.647 1.00 0.24 H new ATOM 0 HG3 LYS B 47 -7.458 -6.645 4.507 1.00 0.24 H new ATOM 0 HD2 LYS B 47 -6.517 -4.149 5.911 1.00 0.40 H new ATOM 0 HD3 LYS B 47 -6.731 -5.759 6.568 1.00 0.40 H new ATOM 0 HE2 LYS B 47 -4.612 -4.980 4.528 1.00 0.52 H new ATOM 0 HE3 LYS B 47 -4.336 -5.131 6.252 1.00 0.52 H new ATOM 0 HZ1 LYS B 47 -3.690 -7.164 5.532 1.00 0.95 H new ATOM 0 HZ2 LYS B 47 -5.322 -7.501 5.855 1.00 0.95 H new ATOM 0 HZ3 LYS B 47 -4.812 -7.221 4.259 1.00 0.95 H new ATOM 1735 N LYS B 48 -8.869 -2.864 3.013 1.00 0.17 N ATOM 1736 CA LYS B 48 -9.995 -1.959 3.318 1.00 0.17 C ATOM 1737 C LYS B 48 -10.387 -1.802 4.797 1.00 0.13 C ATOM 1738 O LYS B 48 -11.263 -0.991 5.100 1.00 0.16 O ATOM 1739 CB LYS B 48 -11.199 -2.422 2.546 1.00 0.22 C ATOM 1740 CG LYS B 48 -11.338 -3.924 2.553 1.00 0.24 C ATOM 1741 CD LYS B 48 -11.930 -4.418 1.251 1.00 0.35 C ATOM 1742 CE LYS B 48 -13.319 -3.850 1.007 1.00 0.43 C ATOM 1743 NZ LYS B 48 -13.970 -4.452 -0.189 1.00 0.64 N ATOM 0 H LYS B 48 -9.088 -3.532 2.274 1.00 0.17 H new ATOM 0 HA LYS B 48 -9.641 -0.970 3.026 1.00 0.17 H new ATOM 0 HB2 LYS B 48 -12.096 -1.974 2.973 1.00 0.22 H new ATOM 0 HB3 LYS B 48 -11.126 -2.070 1.517 1.00 0.22 H new ATOM 0 HG2 LYS B 48 -10.362 -4.383 2.710 1.00 0.24 H new ATOM 0 HG3 LYS B 48 -11.972 -4.231 3.385 1.00 0.24 H new ATOM 0 HD2 LYS B 48 -11.274 -4.140 0.426 1.00 0.35 H new ATOM 0 HD3 LYS B 48 -11.981 -5.507 1.265 1.00 0.35 H new ATOM 0 HE2 LYS B 48 -13.941 -4.026 1.885 1.00 0.43 H new ATOM 0 HE3 LYS B 48 -13.250 -2.770 0.876 1.00 0.43 H new ATOM 0 HZ1 LYS B 48 -14.914 -4.035 -0.317 1.00 0.64 H new ATOM 0 HZ2 LYS B 48 -13.391 -4.262 -1.032 1.00 0.64 H new ATOM 0 HZ3 LYS B 48 -14.060 -5.479 -0.055 1.00 0.64 H new ATOM 1757 N TYR B 49 -9.805 -2.595 5.691 1.00 0.13 N ATOM 1758 CA TYR B 49 -9.955 -2.407 7.137 1.00 0.15 C ATOM 1759 C TYR B 49 -11.333 -2.826 7.647 1.00 0.18 C ATOM 1760 O TYR B 49 -11.438 -3.595 8.598 1.00 0.25 O ATOM 1761 CB TYR B 49 -9.717 -0.951 7.532 1.00 0.19 C ATOM 1762 CG TYR B 49 -10.082 -0.654 8.976 1.00 0.31 C ATOM 1763 CD1 TYR B 49 -9.575 -1.418 10.023 1.00 1.14 C ATOM 1764 CD2 TYR B 49 -10.942 0.389 9.286 1.00 1.18 C ATOM 1765 CE1 TYR B 49 -9.920 -1.149 11.335 1.00 1.19 C ATOM 1766 CE2 TYR B 49 -11.287 0.665 10.592 1.00 1.26 C ATOM 1767 CZ TYR B 49 -10.775 -0.104 11.613 1.00 0.62 C ATOM 1768 OH TYR B 49 -11.123 0.171 12.915 1.00 0.79 O ATOM 0 H TYR B 49 -9.215 -3.387 5.437 1.00 0.13 H new ATOM 0 HA TYR B 49 -9.204 -3.050 7.597 1.00 0.15 H new ATOM 0 HB2 TYR B 49 -8.667 -0.705 7.372 1.00 0.19 H new ATOM 0 HB3 TYR B 49 -10.300 -0.304 6.877 1.00 0.19 H new ATOM 0 HD1 TYR B 49 -8.901 -2.234 9.807 1.00 1.14 H new ATOM 0 HD2 TYR B 49 -11.349 0.996 8.490 1.00 1.18 H new ATOM 0 HE1 TYR B 49 -9.522 -1.754 12.137 1.00 1.19 H new ATOM 0 HE2 TYR B 49 -11.957 1.482 10.814 1.00 1.26 H new ATOM 0 HH TYR B 49 -11.732 0.939 12.936 1.00 0.79 H new ATOM 1778 N SER B 50 -12.374 -2.286 7.025 1.00 0.20 N ATOM 1779 CA SER B 50 -13.745 -2.508 7.452 1.00 0.28 C ATOM 1780 C SER B 50 -14.036 -4.011 7.631 1.00 0.29 C ATOM 1781 O SER B 50 -14.503 -4.424 8.692 1.00 0.35 O ATOM 1782 CB SER B 50 -14.715 -1.854 6.453 1.00 0.39 C ATOM 1783 OG SER B 50 -16.059 -1.935 6.893 1.00 1.22 O ATOM 0 H SER B 50 -12.288 -1.681 6.209 1.00 0.20 H new ATOM 0 HA SER B 50 -13.891 -2.040 8.426 1.00 0.28 H new ATOM 0 HB2 SER B 50 -14.441 -0.808 6.312 1.00 0.39 H new ATOM 0 HB3 SER B 50 -14.620 -2.341 5.483 1.00 0.39 H new ATOM 0 HG SER B 50 -16.645 -1.508 6.234 1.00 1.22 H new ATOM 1789 N PRO B 51 -13.762 -4.858 6.613 1.00 0.34 N ATOM 1790 CA PRO B 51 -13.831 -6.307 6.761 1.00 0.43 C ATOM 1791 C PRO B 51 -12.476 -6.904 7.121 1.00 0.45 C ATOM 1792 O PRO B 51 -12.283 -8.120 7.066 1.00 0.56 O ATOM 1793 CB PRO B 51 -14.238 -6.752 5.370 1.00 0.52 C ATOM 1794 CG PRO B 51 -13.559 -5.784 4.461 1.00 0.47 C ATOM 1795 CD PRO B 51 -13.414 -4.491 5.227 1.00 0.41 C ATOM 0 HA PRO B 51 -14.509 -6.620 7.555 1.00 0.43 H new ATOM 0 HB2 PRO B 51 -13.920 -7.775 5.171 1.00 0.52 H new ATOM 0 HB3 PRO B 51 -15.320 -6.724 5.244 1.00 0.52 H new ATOM 0 HG2 PRO B 51 -12.584 -6.162 4.153 1.00 0.47 H new ATOM 0 HG3 PRO B 51 -14.143 -5.632 3.553 1.00 0.47 H new ATOM 0 HD2 PRO B 51 -12.399 -4.099 5.160 1.00 0.41 H new ATOM 0 HD3 PRO B 51 -14.080 -3.720 4.839 1.00 0.41 H new ATOM 1803 N ILE B 52 -11.548 -6.025 7.499 1.00 0.37 N ATOM 1804 CA ILE B 52 -10.168 -6.398 7.794 1.00 0.45 C ATOM 1805 C ILE B 52 -9.609 -7.241 6.650 1.00 0.57 C ATOM 1806 O ILE B 52 -9.935 -6.993 5.484 1.00 0.57 O ATOM 1807 CB ILE B 52 -10.065 -7.156 9.136 1.00 0.60 C ATOM 1808 CG1 ILE B 52 -11.257 -6.808 10.033 1.00 0.50 C ATOM 1809 CG2 ILE B 52 -8.766 -6.793 9.848 1.00 0.73 C ATOM 1810 CD1 ILE B 52 -11.274 -7.560 11.345 1.00 0.70 C ATOM 0 H ILE B 52 -11.736 -5.028 7.609 1.00 0.37 H new ATOM 0 HA ILE B 52 -9.575 -5.488 7.889 1.00 0.45 H new ATOM 0 HB ILE B 52 -10.073 -8.226 8.930 1.00 0.60 H new ATOM 0 HG12 ILE B 52 -11.245 -5.738 10.239 1.00 0.50 H new ATOM 0 HG13 ILE B 52 -12.180 -7.018 9.493 1.00 0.50 H new ATOM 0 HG21 ILE B 52 -8.705 -7.334 10.792 1.00 0.73 H new ATOM 0 HG22 ILE B 52 -7.918 -7.065 9.219 1.00 0.73 H new ATOM 0 HG23 ILE B 52 -8.745 -5.721 10.042 1.00 0.73 H new ATOM 0 HD11 ILE B 52 -12.147 -7.260 11.925 1.00 0.70 H new ATOM 0 HD12 ILE B 52 -11.319 -8.631 11.150 1.00 0.70 H new ATOM 0 HD13 ILE B 52 -10.369 -7.331 11.907 1.00 0.70 H new ATOM 1822 N SER B 53 -8.766 -8.213 6.956 1.00 0.78 N ATOM 1823 CA SER B 53 -8.257 -9.107 5.930 1.00 0.95 C ATOM 1824 C SER B 53 -9.310 -10.146 5.549 1.00 1.16 C ATOM 1825 O SER B 53 -9.223 -11.296 5.982 1.00 1.86 O ATOM 1826 CB SER B 53 -6.989 -9.824 6.395 1.00 1.08 C ATOM 1827 OG SER B 53 -5.834 -9.104 6.033 1.00 1.48 O ATOM 0 H SER B 53 -8.422 -8.402 7.898 1.00 0.78 H new ATOM 0 HA SER B 53 -8.016 -8.496 5.060 1.00 0.95 H new ATOM 0 HB2 SER B 53 -7.017 -9.952 7.477 1.00 1.08 H new ATOM 0 HB3 SER B 53 -6.951 -10.821 5.957 1.00 1.08 H new ATOM 0 HG SER B 53 -5.714 -9.145 5.061 1.00 1.48 H new ATOM 1833 N GLU B 54 -10.321 -9.705 4.791 1.00 1.07 N ATOM 1834 CA GLU B 54 -11.432 -10.553 4.307 1.00 1.27 C ATOM 1835 C GLU B 54 -12.071 -11.400 5.421 1.00 1.46 C ATOM 1836 O GLU B 54 -12.739 -12.394 5.139 1.00 2.29 O ATOM 1837 CB GLU B 54 -10.999 -11.451 3.128 1.00 1.47 C ATOM 1838 CG GLU B 54 -9.982 -12.530 3.477 1.00 1.75 C ATOM 1839 CD GLU B 54 -9.755 -13.512 2.346 1.00 2.00 C ATOM 1840 OE1 GLU B 54 -8.924 -13.233 1.459 1.00 2.62 O ATOM 1841 OE2 GLU B 54 -10.399 -14.583 2.350 1.00 2.41 O ATOM 0 H GLU B 54 -10.397 -8.734 4.488 1.00 1.07 H new ATOM 0 HA GLU B 54 -12.195 -9.861 3.951 1.00 1.27 H new ATOM 0 HB2 GLU B 54 -11.885 -11.930 2.712 1.00 1.47 H new ATOM 0 HB3 GLU B 54 -10.581 -10.819 2.345 1.00 1.47 H new ATOM 0 HG2 GLU B 54 -9.035 -12.059 3.738 1.00 1.75 H new ATOM 0 HG3 GLU B 54 -10.323 -13.072 4.359 1.00 1.75 H new ATOM 1848 N LEU B 55 -11.897 -10.953 6.665 1.00 1.27 N ATOM 1849 CA LEU B 55 -12.435 -11.623 7.852 1.00 1.44 C ATOM 1850 C LEU B 55 -12.086 -13.113 7.871 1.00 2.03 C ATOM 1851 O LEU B 55 -12.942 -13.941 7.487 1.00 2.28 O ATOM 1852 CB LEU B 55 -13.952 -11.421 7.941 1.00 1.59 C ATOM 1853 CG LEU B 55 -14.488 -11.069 9.334 1.00 1.50 C ATOM 1854 CD1 LEU B 55 -14.142 -12.150 10.345 1.00 2.31 C ATOM 1855 CD2 LEU B 55 -13.937 -9.725 9.787 1.00 0.94 C ATOM 1856 OXT LEU B 55 -10.956 -13.454 8.283 1.00 2.64 O ATOM 0 H LEU B 55 -11.372 -10.105 6.881 1.00 1.27 H new ATOM 0 HA LEU B 55 -11.969 -11.168 8.726 1.00 1.44 H new ATOM 0 HB2 LEU B 55 -14.237 -10.628 7.250 1.00 1.59 H new ATOM 0 HB3 LEU B 55 -14.443 -12.333 7.601 1.00 1.59 H new ATOM 0 HG LEU B 55 -15.574 -11.003 9.271 1.00 1.50 H new ATOM 0 HD11 LEU B 55 -14.535 -11.873 11.323 1.00 2.31 H new ATOM 0 HD12 LEU B 55 -14.583 -13.096 10.032 1.00 2.31 H new ATOM 0 HD13 LEU B 55 -13.059 -12.258 10.406 1.00 2.31 H new ATOM 0 HD21 LEU B 55 -14.326 -9.488 10.777 1.00 0.94 H new ATOM 0 HD22 LEU B 55 -12.849 -9.772 9.826 1.00 0.94 H new ATOM 0 HD23 LEU B 55 -14.241 -8.951 9.083 1.00 0.94 H new TER 1868 LEU B 55