USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 418 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: A 22 ASN : amide:sc= -1.83 K(o=-3.8,f=-7.1!) USER MOD Set 1.2: A 24 LYS NZ :NH3+ -136:sc= -1.95! (180deg=-1.41) USER MOD Single : A 1 ASP N :NH3+ 155:sc= -2.41! (180deg=-3.94!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00626 USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= 1.33 (180deg=1.28) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.562 K(o=-0.56,f=-3!) USER MOD Single : A 30 THR OG1 : rot 41:sc= 0.0742 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.227 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -4.16! K(o=-4.2!,f=-1.6) USER MOD Single : A 42 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.09) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= -0.0226 (180deg=-0.0226) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 172:sc= 0 (180deg=-0.0528) USER MOD Single : A 52 THR OG1 : rot 73:sc= 0.14 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -4.652 16.965 4.593 1.00 0.00 N ATOM 2 CA ASP A 1 -5.698 16.087 4.006 1.00 0.00 C ATOM 3 C ASP A 1 -5.061 14.892 3.294 1.00 0.00 C ATOM 4 O ASP A 1 -3.990 15.018 2.694 1.00 0.00 O ATOM 5 CB ASP A 1 -6.537 16.928 3.024 1.00 0.00 C ATOM 6 CG ASP A 1 -7.841 16.260 2.586 1.00 0.00 C ATOM 7 OD1 ASP A 1 -8.127 15.127 3.039 1.00 0.00 O ATOM 8 OD2 ASP A 1 -8.577 16.876 1.787 1.00 0.00 O ATOM 0 H1 ASP A 1 -5.023 17.932 4.688 1.00 0.00 H new ATOM 0 H2 ASP A 1 -4.382 16.604 5.530 1.00 0.00 H new ATOM 0 H3 ASP A 1 -3.818 16.974 3.972 1.00 0.00 H new ATOM 0 HA ASP A 1 -6.339 15.691 4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -6.770 17.885 3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -5.936 17.142 2.140 1.00 0.00 H new ATOM 15 N PHE A 2 -5.735 13.741 3.371 1.00 0.00 N ATOM 16 CA PHE A 2 -5.256 12.505 2.741 1.00 0.00 C ATOM 17 C PHE A 2 -6.374 11.838 1.917 1.00 0.00 C ATOM 18 O PHE A 2 -7.440 12.433 1.722 1.00 0.00 O ATOM 19 CB PHE A 2 -4.675 11.542 3.812 1.00 0.00 C ATOM 20 CG PHE A 2 -5.586 11.232 4.984 1.00 0.00 C ATOM 21 CD1 PHE A 2 -6.694 10.406 4.835 1.00 0.00 C ATOM 22 CD2 PHE A 2 -5.317 11.758 6.238 1.00 0.00 C ATOM 23 CE1 PHE A 2 -7.513 10.118 5.910 1.00 0.00 C ATOM 24 CE2 PHE A 2 -6.131 11.471 7.317 1.00 0.00 C ATOM 25 CZ PHE A 2 -7.231 10.651 7.152 1.00 0.00 C ATOM 0 H PHE A 2 -6.620 13.638 3.867 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.452 12.755 2.049 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -4.410 10.604 3.324 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -3.751 11.973 4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -6.918 9.984 3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.460 12.401 6.373 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -8.372 9.477 5.779 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.908 11.887 8.288 1.00 0.00 H new ATOM 0 HZ PHE A 2 -7.870 10.427 7.994 1.00 0.00 H new ATOM 35 N CYS A 3 -6.116 10.596 1.436 1.00 0.00 N ATOM 36 CA CYS A 3 -7.069 9.796 0.626 1.00 0.00 C ATOM 37 C CYS A 3 -7.229 10.334 -0.803 1.00 0.00 C ATOM 38 O CYS A 3 -7.106 9.574 -1.768 1.00 0.00 O ATOM 39 CB CYS A 3 -8.449 9.681 1.299 1.00 0.00 C ATOM 40 SG CYS A 3 -8.495 8.592 2.764 1.00 0.00 S ATOM 0 H CYS A 3 -5.231 10.117 1.601 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.631 8.800 0.563 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.779 10.677 1.593 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -9.166 9.312 0.566 1.00 0.00 H new ATOM 45 N LEU A 4 -7.511 11.640 -0.931 1.00 0.00 N ATOM 46 CA LEU A 4 -7.700 12.281 -2.242 1.00 0.00 C ATOM 47 C LEU A 4 -6.370 12.595 -2.937 1.00 0.00 C ATOM 48 O LEU A 4 -6.352 12.910 -4.132 1.00 0.00 O ATOM 49 CB LEU A 4 -8.528 13.566 -2.094 1.00 0.00 C ATOM 50 CG LEU A 4 -10.016 13.370 -1.761 1.00 0.00 C ATOM 51 CD1 LEU A 4 -10.621 14.674 -1.264 1.00 0.00 C ATOM 52 CD2 LEU A 4 -10.789 12.867 -2.980 1.00 0.00 C ATOM 0 H LEU A 4 -7.613 12.275 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.237 11.569 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.078 14.177 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.455 14.132 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.090 12.619 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.675 14.521 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.095 15.000 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.527 15.437 -2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.839 12.737 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.705 13.593 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.375 11.912 -3.305 1.00 0.00 H new ATOM 64 N GLU A 5 -5.264 12.488 -2.191 1.00 0.00 N ATOM 65 CA GLU A 5 -3.930 12.741 -2.738 1.00 0.00 C ATOM 66 C GLU A 5 -3.279 11.426 -3.190 1.00 0.00 C ATOM 67 O GLU A 5 -3.517 10.383 -2.574 1.00 0.00 O ATOM 68 CB GLU A 5 -3.032 13.438 -1.708 1.00 0.00 C ATOM 69 CG GLU A 5 -3.455 14.865 -1.378 1.00 0.00 C ATOM 70 CD GLU A 5 -2.482 15.568 -0.448 1.00 0.00 C ATOM 71 OE1 GLU A 5 -2.294 15.090 0.692 1.00 0.00 O ATOM 72 OE2 GLU A 5 -1.908 16.597 -0.860 1.00 0.00 O ATOM 0 H GLU A 5 -5.269 12.227 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.042 13.400 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.027 12.851 -0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.009 13.451 -2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.543 15.436 -2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.443 14.849 -0.918 1.00 0.00 H new ATOM 79 N PRO A 6 -2.447 11.444 -4.277 1.00 0.00 N ATOM 80 CA PRO A 6 -1.777 10.230 -4.794 1.00 0.00 C ATOM 81 C PRO A 6 -0.759 9.643 -3.799 1.00 0.00 C ATOM 82 O PRO A 6 -0.348 10.338 -2.867 1.00 0.00 O ATOM 83 CB PRO A 6 -1.057 10.718 -6.062 1.00 0.00 C ATOM 84 CG PRO A 6 -1.692 12.021 -6.401 1.00 0.00 C ATOM 85 CD PRO A 6 -2.097 12.627 -5.092 1.00 0.00 C ATOM 0 HA PRO A 6 -2.494 9.429 -4.975 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.012 10.836 -5.886 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.169 10.003 -6.877 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.996 12.669 -6.934 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.556 11.878 -7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.286 13.201 -4.644 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.943 13.305 -5.205 1.00 0.00 H new ATOM 93 N PRO A 7 -0.328 8.352 -3.977 1.00 0.00 N ATOM 94 CA PRO A 7 0.648 7.698 -3.080 1.00 0.00 C ATOM 95 C PRO A 7 2.010 8.399 -3.087 1.00 0.00 C ATOM 96 O PRO A 7 2.365 9.046 -4.077 1.00 0.00 O ATOM 97 CB PRO A 7 0.751 6.284 -3.671 1.00 0.00 C ATOM 98 CG PRO A 7 0.384 6.446 -5.094 1.00 0.00 C ATOM 99 CD PRO A 7 -0.742 7.421 -5.055 1.00 0.00 C ATOM 0 HA PRO A 7 0.338 7.720 -2.035 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.759 5.883 -3.565 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.078 5.593 -3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.220 6.822 -5.684 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.080 5.499 -5.540 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.866 7.935 -6.008 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.691 6.935 -4.828 1.00 0.00 H new ATOM 107 N TYR A 8 2.758 8.283 -1.983 1.00 0.00 N ATOM 108 CA TYR A 8 4.067 8.930 -1.889 1.00 0.00 C ATOM 109 C TYR A 8 5.200 8.032 -2.432 1.00 0.00 C ATOM 110 O TYR A 8 6.375 8.218 -2.088 1.00 0.00 O ATOM 111 CB TYR A 8 4.349 9.418 -0.446 1.00 0.00 C ATOM 112 CG TYR A 8 5.559 10.349 -0.312 1.00 0.00 C ATOM 113 CD1 TYR A 8 6.069 11.042 -1.415 1.00 0.00 C ATOM 114 CD2 TYR A 8 6.196 10.520 0.911 1.00 0.00 C ATOM 115 CE1 TYR A 8 7.166 11.864 -1.304 1.00 0.00 C ATOM 116 CE2 TYR A 8 7.298 11.350 1.031 1.00 0.00 C ATOM 117 CZ TYR A 8 7.779 12.018 -0.079 1.00 0.00 C ATOM 118 OH TYR A 8 8.876 12.840 0.039 1.00 0.00 O ATOM 0 H TYR A 8 2.483 7.755 -1.155 1.00 0.00 H new ATOM 0 HA TYR A 8 4.041 9.811 -2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.466 9.936 -0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.503 8.549 0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.590 10.929 -2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.826 9.998 1.781 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.545 12.385 -2.171 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.780 11.475 1.989 1.00 0.00 H new ATOM 0 HH TYR A 8 9.187 12.839 0.968 1.00 0.00 H new ATOM 128 N THR A 9 4.842 7.063 -3.294 1.00 0.00 N ATOM 129 CA THR A 9 5.817 6.138 -3.916 1.00 0.00 C ATOM 130 C THR A 9 6.941 6.904 -4.666 1.00 0.00 C ATOM 131 O THR A 9 7.902 6.293 -5.138 1.00 0.00 O ATOM 132 CB THR A 9 5.083 5.196 -4.886 1.00 0.00 C ATOM 133 OG1 THR A 9 3.896 4.693 -4.296 1.00 0.00 O ATOM 134 CG2 THR A 9 5.903 3.993 -5.327 1.00 0.00 C ATOM 0 H THR A 9 3.877 6.897 -3.580 1.00 0.00 H new ATOM 0 HA THR A 9 6.289 5.559 -3.122 1.00 0.00 H new ATOM 0 HB THR A 9 4.876 5.813 -5.761 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.443 4.098 -4.929 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.313 3.381 -6.009 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.805 4.334 -5.834 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.179 3.401 -4.454 1.00 0.00 H new ATOM 142 N GLY A 10 6.790 8.246 -4.740 1.00 0.00 N ATOM 143 CA GLY A 10 7.751 9.154 -5.390 1.00 0.00 C ATOM 144 C GLY A 10 9.202 8.658 -5.376 1.00 0.00 C ATOM 145 O GLY A 10 9.607 7.952 -6.304 1.00 0.00 O ATOM 0 H GLY A 10 5.985 8.731 -4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.443 9.309 -6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.707 10.124 -4.895 1.00 0.00 H new ATOM 149 N PRO A 11 10.013 9.005 -4.338 1.00 0.00 N ATOM 150 CA PRO A 11 11.410 8.574 -4.240 1.00 0.00 C ATOM 151 C PRO A 11 11.586 7.229 -3.502 1.00 0.00 C ATOM 152 O PRO A 11 12.703 6.877 -3.103 1.00 0.00 O ATOM 153 CB PRO A 11 12.068 9.719 -3.448 1.00 0.00 C ATOM 154 CG PRO A 11 10.953 10.536 -2.853 1.00 0.00 C ATOM 155 CD PRO A 11 9.654 9.846 -3.182 1.00 0.00 C ATOM 0 HA PRO A 11 11.848 8.397 -5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 11 12.717 9.325 -2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.690 10.332 -4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.077 10.624 -1.774 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.962 11.548 -3.258 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.290 9.249 -2.346 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.869 10.560 -3.430 1.00 0.00 H new ATOM 163 N CYS A 12 10.476 6.489 -3.315 1.00 0.00 N ATOM 164 CA CYS A 12 10.512 5.200 -2.615 1.00 0.00 C ATOM 165 C CYS A 12 9.635 4.166 -3.329 1.00 0.00 C ATOM 166 O CYS A 12 8.432 4.380 -3.511 1.00 0.00 O ATOM 167 CB CYS A 12 10.044 5.376 -1.161 1.00 0.00 C ATOM 168 SG CYS A 12 10.564 6.951 -0.401 1.00 0.00 S ATOM 0 H CYS A 12 9.549 6.764 -3.639 1.00 0.00 H new ATOM 0 HA CYS A 12 11.540 4.837 -2.618 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.956 5.311 -1.130 1.00 0.00 H new ATOM 0 HB3 CYS A 12 10.430 4.551 -0.563 1.00 0.00 H new ATOM 173 N LYS A 13 10.253 3.045 -3.721 1.00 0.00 N ATOM 174 CA LYS A 13 9.556 1.954 -4.412 1.00 0.00 C ATOM 175 C LYS A 13 10.084 0.605 -3.919 1.00 0.00 C ATOM 176 O LYS A 13 10.953 -0.008 -4.553 1.00 0.00 O ATOM 177 CB LYS A 13 9.730 2.042 -5.946 1.00 0.00 C ATOM 178 CG LYS A 13 9.071 3.241 -6.621 1.00 0.00 C ATOM 179 CD LYS A 13 10.009 4.442 -6.691 1.00 0.00 C ATOM 180 CE LYS A 13 9.691 5.344 -7.881 1.00 0.00 C ATOM 181 NZ LYS A 13 8.339 5.968 -7.789 1.00 0.00 N ATOM 0 H LYS A 13 11.246 2.869 -3.569 1.00 0.00 H new ATOM 0 HA LYS A 13 8.494 2.047 -4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.796 2.063 -6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.328 1.132 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.760 2.965 -7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.170 3.516 -6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.932 5.017 -5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.039 4.094 -6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.444 6.129 -7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.755 4.761 -8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.210 6.634 -8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.611 5.227 -7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.253 6.478 -6.887 1.00 0.00 H new ATOM 195 N ALA A 14 9.558 0.144 -2.782 1.00 0.00 N ATOM 196 CA ALA A 14 9.967 -1.134 -2.195 1.00 0.00 C ATOM 197 C ALA A 14 9.066 -2.285 -2.684 1.00 0.00 C ATOM 198 O ALA A 14 8.263 -2.099 -3.602 1.00 0.00 O ATOM 199 CB ALA A 14 9.951 -1.023 -0.671 1.00 0.00 C ATOM 0 H ALA A 14 8.845 0.639 -2.247 1.00 0.00 H new ATOM 0 HA ALA A 14 10.982 -1.364 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.255 -1.974 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.642 -0.241 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.944 -0.775 -0.335 1.00 0.00 H new ATOM 205 N ARG A 15 9.219 -3.470 -2.073 1.00 0.00 N ATOM 206 CA ARG A 15 8.437 -4.658 -2.447 1.00 0.00 C ATOM 207 C ARG A 15 7.314 -4.956 -1.435 1.00 0.00 C ATOM 208 O ARG A 15 7.023 -6.119 -1.129 1.00 0.00 O ATOM 209 CB ARG A 15 9.373 -5.881 -2.613 1.00 0.00 C ATOM 210 CG ARG A 15 10.311 -6.139 -1.427 1.00 0.00 C ATOM 211 CD ARG A 15 10.161 -7.551 -0.876 1.00 0.00 C ATOM 212 NE ARG A 15 8.926 -7.714 -0.097 1.00 0.00 N ATOM 213 CZ ARG A 15 8.530 -8.860 0.476 1.00 0.00 C ATOM 214 NH1 ARG A 15 9.255 -9.972 0.366 1.00 0.00 N ATOM 215 NH2 ARG A 15 7.396 -8.891 1.163 1.00 0.00 N ATOM 0 H ARG A 15 9.881 -3.631 -1.314 1.00 0.00 H new ATOM 0 HA ARG A 15 7.954 -4.450 -3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.762 -6.769 -2.775 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.975 -5.741 -3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.343 -5.980 -1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.103 -5.418 -0.637 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.165 -8.263 -1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.019 -7.787 -0.247 1.00 0.00 H new ATOM 0 HE ARG A 15 8.327 -6.897 0.016 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.128 -9.962 -0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.937 -10.834 0.809 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.831 -8.047 1.253 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.089 -9.759 1.601 1.00 0.00 H new ATOM 229 N ILE A 16 6.685 -3.898 -0.926 1.00 0.00 N ATOM 230 CA ILE A 16 5.598 -4.041 0.051 1.00 0.00 C ATOM 231 C ILE A 16 4.374 -3.213 -0.380 1.00 0.00 C ATOM 232 O ILE A 16 4.342 -1.997 -0.204 1.00 0.00 O ATOM 233 CB ILE A 16 6.058 -3.630 1.491 1.00 0.00 C ATOM 234 CG1 ILE A 16 7.357 -4.369 1.886 1.00 0.00 C ATOM 235 CG2 ILE A 16 4.954 -3.920 2.519 1.00 0.00 C ATOM 236 CD1 ILE A 16 8.162 -3.682 2.978 1.00 0.00 C ATOM 0 H ILE A 16 6.906 -2.933 -1.171 1.00 0.00 H new ATOM 0 HA ILE A 16 5.318 -5.094 0.082 1.00 0.00 H new ATOM 0 HB ILE A 16 6.256 -2.558 1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.102 -5.375 2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.984 -4.475 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.295 -3.627 3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.059 -3.354 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.723 -4.985 2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.056 -4.267 3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.452 -2.686 2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.556 -3.600 3.880 1.00 0.00 H new ATOM 248 N ILE A 17 3.372 -3.906 -0.937 1.00 0.00 N ATOM 249 CA ILE A 17 2.118 -3.284 -1.403 1.00 0.00 C ATOM 250 C ILE A 17 1.082 -3.296 -0.273 1.00 0.00 C ATOM 251 O ILE A 17 1.027 -4.222 0.541 1.00 0.00 O ATOM 252 CB ILE A 17 1.559 -4.039 -2.667 1.00 0.00 C ATOM 253 CG1 ILE A 17 2.626 -4.147 -3.800 1.00 0.00 C ATOM 254 CG2 ILE A 17 0.265 -3.412 -3.206 1.00 0.00 C ATOM 255 CD1 ILE A 17 3.189 -2.826 -4.325 1.00 0.00 C ATOM 0 H ILE A 17 3.405 -4.916 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 17 2.323 -2.252 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 17 1.317 -5.047 -2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.456 -4.751 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.184 -4.688 -4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.075 -3.972 -4.077 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.503 -3.441 -2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.454 -2.377 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.920 -3.028 -5.108 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.379 -2.221 -4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.670 -2.286 -3.510 1.00 0.00 H new ATOM 267 N ARG A 18 0.298 -2.226 -0.245 1.00 0.00 N ATOM 268 CA ARG A 18 -0.738 -1.991 0.745 1.00 0.00 C ATOM 269 C ARG A 18 -2.024 -1.504 0.045 1.00 0.00 C ATOM 270 O ARG A 18 -2.217 -1.802 -1.133 1.00 0.00 O ATOM 271 CB ARG A 18 -0.194 -0.950 1.722 1.00 0.00 C ATOM 272 CG ARG A 18 -0.209 -1.401 3.172 1.00 0.00 C ATOM 273 CD ARG A 18 0.329 -0.323 4.098 1.00 0.00 C ATOM 274 NE ARG A 18 0.318 -0.748 5.502 1.00 0.00 N ATOM 275 CZ ARG A 18 0.737 0.004 6.530 1.00 0.00 C ATOM 276 NH1 ARG A 18 1.208 1.235 6.338 1.00 0.00 N ATOM 277 NH2 ARG A 18 0.682 -0.483 7.763 1.00 0.00 N ATOM 0 H ARG A 18 0.370 -1.476 -0.933 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.995 -2.902 1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.829 -0.701 1.440 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.782 -0.037 1.629 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.228 -1.657 3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.390 -2.305 3.279 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.347 -0.068 3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.270 0.581 3.988 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.034 -1.682 5.711 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.255 1.622 5.395 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.522 1.791 7.134 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.323 -1.424 7.924 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.999 0.084 8.550 1.00 0.00 H new ATOM 291 N TYR A 19 -2.894 -0.761 0.754 1.00 0.00 N ATOM 292 CA TYR A 19 -4.139 -0.249 0.160 1.00 0.00 C ATOM 293 C TYR A 19 -4.202 1.278 0.206 1.00 0.00 C ATOM 294 O TYR A 19 -3.595 1.912 1.083 1.00 0.00 O ATOM 295 CB TYR A 19 -5.371 -0.862 0.837 1.00 0.00 C ATOM 296 CG TYR A 19 -5.616 -2.317 0.489 1.00 0.00 C ATOM 297 CD1 TYR A 19 -4.695 -3.307 0.821 1.00 0.00 C ATOM 298 CD2 TYR A 19 -6.780 -2.700 -0.163 1.00 0.00 C ATOM 299 CE1 TYR A 19 -4.928 -4.632 0.510 1.00 0.00 C ATOM 300 CE2 TYR A 19 -7.022 -4.025 -0.475 1.00 0.00 C ATOM 301 CZ TYR A 19 -6.092 -4.986 -0.136 1.00 0.00 C ATOM 302 OH TYR A 19 -6.330 -6.307 -0.445 1.00 0.00 O ATOM 0 H TYR A 19 -2.758 -0.504 1.732 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.141 -0.549 -0.888 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.259 -0.773 1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.250 -0.281 0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.783 -3.034 1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.509 -1.950 -0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.201 -5.387 0.772 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.934 -4.306 -0.981 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.195 -6.386 -0.898 1.00 0.00 H new ATOM 312 N PHE A 20 -5.010 1.840 -0.717 1.00 0.00 N ATOM 313 CA PHE A 20 -5.240 3.299 -0.799 1.00 0.00 C ATOM 314 C PHE A 20 -6.469 3.647 -1.671 1.00 0.00 C ATOM 315 O PHE A 20 -7.098 2.766 -2.262 1.00 0.00 O ATOM 316 CB PHE A 20 -3.956 4.030 -1.313 1.00 0.00 C ATOM 317 CG PHE A 20 -3.685 3.933 -2.804 1.00 0.00 C ATOM 318 CD1 PHE A 20 -3.821 2.735 -3.489 1.00 0.00 C ATOM 319 CD2 PHE A 20 -3.314 5.061 -3.516 1.00 0.00 C ATOM 320 CE1 PHE A 20 -3.603 2.665 -4.849 1.00 0.00 C ATOM 321 CE2 PHE A 20 -3.087 4.994 -4.876 1.00 0.00 C ATOM 322 CZ PHE A 20 -3.235 3.795 -5.542 1.00 0.00 C ATOM 0 H PHE A 20 -5.517 1.302 -1.420 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.459 3.653 0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.031 5.084 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.095 3.626 -0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.102 1.843 -2.949 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.201 6.004 -3.002 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.721 1.726 -5.369 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.793 5.880 -5.419 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.062 3.743 -6.607 1.00 0.00 H new ATOM 332 N TYR A 21 -6.736 4.960 -1.786 1.00 0.00 N ATOM 333 CA TYR A 21 -7.812 5.518 -2.622 1.00 0.00 C ATOM 334 C TYR A 21 -7.183 5.891 -3.977 1.00 0.00 C ATOM 335 O TYR A 21 -5.955 5.947 -4.065 1.00 0.00 O ATOM 336 CB TYR A 21 -8.374 6.774 -1.912 1.00 0.00 C ATOM 337 CG TYR A 21 -9.532 7.472 -2.601 1.00 0.00 C ATOM 338 CD1 TYR A 21 -10.844 7.121 -2.319 1.00 0.00 C ATOM 339 CD2 TYR A 21 -9.308 8.505 -3.504 1.00 0.00 C ATOM 340 CE1 TYR A 21 -11.902 7.773 -2.923 1.00 0.00 C ATOM 341 CE2 TYR A 21 -10.361 9.163 -4.111 1.00 0.00 C ATOM 342 CZ TYR A 21 -11.655 8.794 -3.818 1.00 0.00 C ATOM 343 OH TYR A 21 -12.707 9.447 -4.419 1.00 0.00 O ATOM 0 H TYR A 21 -6.201 5.674 -1.292 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.627 4.810 -2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.694 6.487 -0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.563 7.492 -1.794 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.042 6.325 -1.616 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.295 8.798 -3.735 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.918 7.485 -2.696 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.170 9.962 -4.812 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.362 10.139 -5.020 1.00 0.00 H new ATOM 353 N ASN A 22 -7.970 6.214 -5.019 1.00 0.00 N ATOM 354 CA ASN A 22 -7.394 6.638 -6.284 1.00 0.00 C ATOM 355 C ASN A 22 -8.249 7.724 -6.903 1.00 0.00 C ATOM 356 O ASN A 22 -9.446 7.526 -7.149 1.00 0.00 O ATOM 357 CB ASN A 22 -7.269 5.499 -7.280 1.00 0.00 C ATOM 358 CG ASN A 22 -5.988 4.718 -7.125 1.00 0.00 C ATOM 359 OD1 ASN A 22 -4.900 5.256 -7.320 1.00 0.00 O ATOM 360 ND2 ASN A 22 -6.107 3.442 -6.775 1.00 0.00 N ATOM 0 H ASN A 22 -8.989 6.187 -5.001 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.393 7.008 -6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.116 4.824 -7.160 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.323 5.901 -8.292 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.274 2.866 -6.657 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.032 3.039 -6.624 1.00 0.00 H new ATOM 367 N ALA A 23 -7.620 8.863 -7.175 1.00 0.00 N ATOM 368 CA ALA A 23 -8.303 9.991 -7.795 1.00 0.00 C ATOM 369 C ALA A 23 -8.323 9.837 -9.325 1.00 0.00 C ATOM 370 O ALA A 23 -8.662 10.781 -10.050 1.00 0.00 O ATOM 371 CB ALA A 23 -7.636 11.298 -7.378 1.00 0.00 C ATOM 0 H ALA A 23 -6.634 9.029 -6.974 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.337 10.011 -7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.153 12.136 -7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.684 11.402 -6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.593 11.292 -7.696 1.00 0.00 H new ATOM 377 N LYS A 24 -7.982 8.623 -9.808 1.00 0.00 N ATOM 378 CA LYS A 24 -7.986 8.336 -11.247 1.00 0.00 C ATOM 379 C LYS A 24 -9.273 7.625 -11.645 1.00 0.00 C ATOM 380 O LYS A 24 -9.839 7.883 -12.711 1.00 0.00 O ATOM 381 CB LYS A 24 -6.767 7.489 -11.656 1.00 0.00 C ATOM 382 CG LYS A 24 -5.419 8.201 -11.507 1.00 0.00 C ATOM 383 CD LYS A 24 -4.843 8.087 -10.091 1.00 0.00 C ATOM 384 CE LYS A 24 -4.006 6.820 -9.898 1.00 0.00 C ATOM 385 NZ LYS A 24 -4.815 5.572 -10.035 1.00 0.00 N ATOM 0 H LYS A 24 -7.703 7.836 -9.223 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.927 9.289 -11.773 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.753 6.581 -11.053 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.887 7.180 -12.694 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.709 7.779 -12.219 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.539 9.254 -11.762 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.226 8.961 -9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.659 8.093 -9.369 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.198 6.807 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.542 6.842 -8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.560 4.908 -9.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.826 5.805 -9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.622 5.133 -10.958 1.00 0.00 H new ATOM 399 N ALA A 25 -9.712 6.721 -10.767 1.00 0.00 N ATOM 400 CA ALA A 25 -10.920 5.936 -10.977 1.00 0.00 C ATOM 401 C ALA A 25 -12.016 6.323 -9.984 1.00 0.00 C ATOM 402 O ALA A 25 -13.201 6.318 -10.329 1.00 0.00 O ATOM 403 CB ALA A 25 -10.585 4.462 -10.847 1.00 0.00 C ATOM 0 H ALA A 25 -9.235 6.516 -9.889 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.300 6.140 -11.978 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.486 3.869 -11.003 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.838 4.191 -11.594 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.190 4.265 -9.851 1.00 0.00 H new ATOM 409 N GLY A 26 -11.606 6.652 -8.750 1.00 0.00 N ATOM 410 CA GLY A 26 -12.553 7.035 -7.715 1.00 0.00 C ATOM 411 C GLY A 26 -12.551 6.076 -6.538 1.00 0.00 C ATOM 412 O GLY A 26 -12.677 6.501 -5.392 1.00 0.00 O ATOM 0 H GLY A 26 -10.630 6.658 -8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.314 8.038 -7.362 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.555 7.078 -8.142 1.00 0.00 H new ATOM 416 N LEU A 27 -12.435 4.775 -6.831 1.00 0.00 N ATOM 417 CA LEU A 27 -12.442 3.730 -5.799 1.00 0.00 C ATOM 418 C LEU A 27 -11.052 3.542 -5.144 1.00 0.00 C ATOM 419 O LEU A 27 -10.171 4.415 -5.258 1.00 0.00 O ATOM 420 CB LEU A 27 -12.981 2.398 -6.389 1.00 0.00 C ATOM 421 CG LEU A 27 -12.226 1.812 -7.602 1.00 0.00 C ATOM 422 CD1 LEU A 27 -12.440 0.309 -7.675 1.00 0.00 C ATOM 423 CD2 LEU A 27 -12.689 2.463 -8.901 1.00 0.00 C ATOM 0 H LEU A 27 -12.334 4.419 -7.781 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.113 4.053 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.979 1.651 -5.595 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.020 2.552 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.164 2.020 -7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.903 -0.094 -8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.066 -0.156 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.504 0.098 -7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.141 2.032 -9.739 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.756 2.287 -9.036 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.501 3.536 -8.858 1.00 0.00 H new ATOM 435 N CYS A 28 -10.886 2.401 -4.448 1.00 0.00 N ATOM 436 CA CYS A 28 -9.645 2.058 -3.755 1.00 0.00 C ATOM 437 C CYS A 28 -8.937 0.887 -4.430 1.00 0.00 C ATOM 438 O CYS A 28 -9.587 -0.029 -4.943 1.00 0.00 O ATOM 439 CB CYS A 28 -9.939 1.692 -2.301 1.00 0.00 C ATOM 440 SG CYS A 28 -10.473 3.091 -1.268 1.00 0.00 S ATOM 0 H CYS A 28 -11.615 1.694 -4.355 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.993 2.931 -3.795 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.713 0.925 -2.281 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.044 1.252 -1.861 1.00 0.00 H new ATOM 445 N GLN A 29 -7.599 0.932 -4.418 1.00 0.00 N ATOM 446 CA GLN A 29 -6.761 -0.114 -5.018 1.00 0.00 C ATOM 447 C GLN A 29 -5.490 -0.307 -4.171 1.00 0.00 C ATOM 448 O GLN A 29 -5.239 0.467 -3.242 1.00 0.00 O ATOM 449 CB GLN A 29 -6.401 0.271 -6.475 1.00 0.00 C ATOM 450 CG GLN A 29 -5.915 -0.884 -7.356 1.00 0.00 C ATOM 451 CD GLN A 29 -7.008 -1.886 -7.698 1.00 0.00 C ATOM 452 OE1 GLN A 29 -7.586 -2.520 -6.814 1.00 0.00 O ATOM 453 NE2 GLN A 29 -7.295 -2.031 -8.986 1.00 0.00 N ATOM 0 H GLN A 29 -7.068 1.692 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.310 -1.055 -5.039 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.278 0.719 -6.942 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.627 1.038 -6.450 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.503 -0.478 -8.280 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.103 -1.403 -6.846 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.791 -1.485 -9.685 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.019 -2.688 -9.276 1.00 0.00 H new ATOM 462 N THR A 30 -4.729 -1.375 -4.457 1.00 0.00 N ATOM 463 CA THR A 30 -3.514 -1.694 -3.697 1.00 0.00 C ATOM 464 C THR A 30 -2.264 -0.982 -4.239 1.00 0.00 C ATOM 465 O THR A 30 -1.936 -1.089 -5.424 1.00 0.00 O ATOM 466 CB THR A 30 -3.274 -3.210 -3.684 1.00 0.00 C ATOM 467 OG1 THR A 30 -3.288 -3.735 -5.000 1.00 0.00 O ATOM 468 CG2 THR A 30 -4.291 -3.983 -2.868 1.00 0.00 C ATOM 0 H THR A 30 -4.935 -2.032 -5.210 1.00 0.00 H new ATOM 0 HA THR A 30 -3.681 -1.332 -2.682 1.00 0.00 H new ATOM 0 HB THR A 30 -2.297 -3.335 -3.218 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.814 -3.124 -5.601 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.056 -5.047 -2.906 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.262 -3.642 -1.833 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.288 -3.817 -3.277 1.00 0.00 H new ATOM 476 N PHE A 31 -1.567 -0.282 -3.332 1.00 0.00 N ATOM 477 CA PHE A 31 -0.328 0.443 -3.653 1.00 0.00 C ATOM 478 C PHE A 31 0.807 -0.069 -2.751 1.00 0.00 C ATOM 479 O PHE A 31 0.543 -0.807 -1.820 1.00 0.00 O ATOM 480 CB PHE A 31 -0.540 1.967 -3.478 1.00 0.00 C ATOM 481 CG PHE A 31 -0.339 2.502 -2.071 1.00 0.00 C ATOM 482 CD1 PHE A 31 -1.147 2.094 -1.014 1.00 0.00 C ATOM 483 CD2 PHE A 31 0.676 3.411 -1.817 1.00 0.00 C ATOM 484 CE1 PHE A 31 -0.939 2.590 0.261 1.00 0.00 C ATOM 485 CE2 PHE A 31 0.883 3.906 -0.546 1.00 0.00 C ATOM 486 CZ PHE A 31 0.076 3.496 0.495 1.00 0.00 C ATOM 0 H PHE A 31 -1.846 -0.202 -2.354 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.055 0.264 -4.693 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.144 2.490 -4.147 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.552 2.214 -3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.942 1.385 -1.190 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.314 3.736 -2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.572 2.268 1.075 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.677 4.615 -0.366 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.238 3.883 1.490 1.00 0.00 H new ATOM 496 N VAL A 32 2.055 0.335 -3.015 1.00 0.00 N ATOM 497 CA VAL A 32 3.221 -0.080 -2.231 1.00 0.00 C ATOM 498 C VAL A 32 3.288 0.674 -0.875 1.00 0.00 C ATOM 499 O VAL A 32 2.296 1.258 -0.430 1.00 0.00 O ATOM 500 CB VAL A 32 4.516 0.139 -3.102 1.00 0.00 C ATOM 501 CG1 VAL A 32 4.980 1.594 -3.121 1.00 0.00 C ATOM 502 CG2 VAL A 32 5.648 -0.794 -2.676 1.00 0.00 C ATOM 0 H VAL A 32 2.284 0.964 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 32 3.141 -1.138 -1.981 1.00 0.00 H new ATOM 0 HB VAL A 32 4.237 -0.114 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.875 1.682 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.191 2.222 -3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.205 1.917 -2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.523 -0.613 -3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.901 -0.606 -1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.329 -1.830 -2.791 1.00 0.00 H new ATOM 512 N TYR A 33 4.480 0.662 -0.263 1.00 0.00 N ATOM 513 CA TYR A 33 4.772 1.332 1.008 1.00 0.00 C ATOM 514 C TYR A 33 6.233 1.073 1.382 1.00 0.00 C ATOM 515 O TYR A 33 6.636 -0.078 1.586 1.00 0.00 O ATOM 516 CB TYR A 33 3.843 0.860 2.148 1.00 0.00 C ATOM 517 CG TYR A 33 4.005 1.640 3.439 1.00 0.00 C ATOM 518 CD1 TYR A 33 3.473 2.919 3.587 1.00 0.00 C ATOM 519 CD2 TYR A 33 4.711 1.097 4.499 1.00 0.00 C ATOM 520 CE1 TYR A 33 3.639 3.626 4.763 1.00 0.00 C ATOM 521 CE2 TYR A 33 4.880 1.799 5.678 1.00 0.00 C ATOM 522 CZ TYR A 33 4.341 3.060 5.804 1.00 0.00 C ATOM 523 OH TYR A 33 4.503 3.757 6.978 1.00 0.00 O ATOM 0 H TYR A 33 5.287 0.173 -0.650 1.00 0.00 H new ATOM 0 HA TYR A 33 4.595 2.399 0.876 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.808 0.939 1.815 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.035 -0.195 2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.923 3.364 2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.137 0.109 4.403 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.221 4.616 4.865 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.432 1.361 6.496 1.00 0.00 H new ATOM 0 HH TYR A 33 5.021 3.217 7.611 1.00 0.00 H new ATOM 533 N GLY A 34 7.015 2.150 1.463 1.00 0.00 N ATOM 534 CA GLY A 34 8.421 2.033 1.808 1.00 0.00 C ATOM 535 C GLY A 34 8.748 2.704 3.124 1.00 0.00 C ATOM 536 O GLY A 34 8.123 3.705 3.487 1.00 0.00 O ATOM 0 H GLY A 34 6.696 3.104 1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.693 0.979 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.025 2.477 1.017 1.00 0.00 H new ATOM 540 N GLY A 35 9.739 2.150 3.835 1.00 0.00 N ATOM 541 CA GLY A 35 10.161 2.706 5.117 1.00 0.00 C ATOM 542 C GLY A 35 11.192 3.810 4.956 1.00 0.00 C ATOM 543 O GLY A 35 12.217 3.816 5.643 1.00 0.00 O ATOM 0 H GLY A 35 10.258 1.322 3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.291 3.098 5.644 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.577 1.911 5.736 1.00 0.00 H new ATOM 547 N CYS A 36 10.909 4.734 4.031 1.00 0.00 N ATOM 548 CA CYS A 36 11.798 5.856 3.742 1.00 0.00 C ATOM 549 C CYS A 36 11.389 7.108 4.526 1.00 0.00 C ATOM 550 O CYS A 36 12.241 7.777 5.118 1.00 0.00 O ATOM 551 CB CYS A 36 11.800 6.146 2.235 1.00 0.00 C ATOM 552 SG CYS A 36 10.190 6.680 1.573 1.00 0.00 S ATOM 0 H CYS A 36 10.060 4.722 3.466 1.00 0.00 H new ATOM 0 HA CYS A 36 12.805 5.582 4.056 1.00 0.00 H new ATOM 0 HB2 CYS A 36 12.540 6.919 2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 36 12.118 5.249 1.705 1.00 0.00 H new ATOM 557 N ARG A 37 10.081 7.416 4.519 1.00 0.00 N ATOM 558 CA ARG A 37 9.548 8.587 5.223 1.00 0.00 C ATOM 559 C ARG A 37 8.237 8.250 5.949 1.00 0.00 C ATOM 560 O ARG A 37 7.989 8.760 7.044 1.00 0.00 O ATOM 561 CB ARG A 37 9.330 9.747 4.233 1.00 0.00 C ATOM 562 CG ARG A 37 9.214 11.120 4.890 1.00 0.00 C ATOM 563 CD ARG A 37 9.028 12.224 3.853 1.00 0.00 C ATOM 564 NE ARG A 37 8.912 13.565 4.455 1.00 0.00 N ATOM 565 CZ ARG A 37 7.849 14.019 5.147 1.00 0.00 C ATOM 566 NH1 ARG A 37 6.779 13.251 5.344 1.00 0.00 N ATOM 567 NH2 ARG A 37 7.865 15.249 5.642 1.00 0.00 N ATOM 0 H ARG A 37 9.374 6.866 4.031 1.00 0.00 H new ATOM 0 HA ARG A 37 10.277 8.893 5.973 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.158 9.765 3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.424 9.554 3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.371 11.123 5.581 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.110 11.320 5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.872 12.213 3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.133 12.017 3.266 1.00 0.00 H new ATOM 0 HE ARG A 37 9.701 14.201 4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.756 12.303 4.969 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.983 13.611 5.870 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.679 15.846 5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.063 15.598 6.167 1.00 0.00 H new ATOM 581 N ALA A 38 7.396 7.391 5.322 1.00 0.00 N ATOM 582 CA ALA A 38 6.088 6.969 5.880 1.00 0.00 C ATOM 583 C ALA A 38 5.122 8.153 6.021 1.00 0.00 C ATOM 584 O ALA A 38 5.383 9.089 6.785 1.00 0.00 O ATOM 585 CB ALA A 38 6.257 6.252 7.224 1.00 0.00 C ATOM 0 H ALA A 38 7.606 6.972 4.416 1.00 0.00 H new ATOM 0 HA ALA A 38 5.654 6.265 5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.279 5.957 7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.876 5.365 7.088 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.736 6.923 7.937 1.00 0.00 H new ATOM 591 N LYS A 39 4.015 8.104 5.271 1.00 0.00 N ATOM 592 CA LYS A 39 3.012 9.172 5.300 1.00 0.00 C ATOM 593 C LYS A 39 1.773 8.720 6.076 1.00 0.00 C ATOM 594 O LYS A 39 1.813 7.729 6.811 1.00 0.00 O ATOM 595 CB LYS A 39 2.605 9.570 3.868 1.00 0.00 C ATOM 596 CG LYS A 39 2.953 11.008 3.484 1.00 0.00 C ATOM 597 CD LYS A 39 2.019 12.026 4.131 1.00 0.00 C ATOM 598 CE LYS A 39 2.384 13.448 3.736 1.00 0.00 C ATOM 599 NZ LYS A 39 1.477 14.449 4.362 1.00 0.00 N ATOM 0 H LYS A 39 3.792 7.336 4.637 1.00 0.00 H new ATOM 0 HA LYS A 39 3.451 10.036 5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.090 8.893 3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.530 9.428 3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.980 11.222 3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.906 11.113 2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.991 11.818 3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.065 11.925 5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.412 13.654 4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.339 13.546 2.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.760 15.406 4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.499 14.268 4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.538 14.373 5.397 1.00 0.00 H new ATOM 613 N ARG A 40 0.671 9.458 5.888 1.00 0.00 N ATOM 614 CA ARG A 40 -0.602 9.155 6.542 1.00 0.00 C ATOM 615 C ARG A 40 -1.355 8.067 5.770 1.00 0.00 C ATOM 616 O ARG A 40 -1.413 6.924 6.232 1.00 0.00 O ATOM 617 CB ARG A 40 -1.460 10.424 6.697 1.00 0.00 C ATOM 618 CG ARG A 40 -0.879 11.453 7.662 1.00 0.00 C ATOM 619 CD ARG A 40 -1.752 12.699 7.763 1.00 0.00 C ATOM 620 NE ARG A 40 -1.755 13.485 6.521 1.00 0.00 N ATOM 621 CZ ARG A 40 -2.437 14.626 6.340 1.00 0.00 C ATOM 622 NH1 ARG A 40 -3.187 15.142 7.313 1.00 0.00 N ATOM 623 NH2 ARG A 40 -2.367 15.252 5.174 1.00 0.00 N ATOM 0 H ARG A 40 0.640 10.277 5.281 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.392 8.777 7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.584 10.888 5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.454 10.138 7.042 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.773 11.004 8.650 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.120 11.736 7.331 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.773 12.405 8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.396 13.323 8.583 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.198 13.138 5.740 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.250 14.668 8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.698 16.011 7.157 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.797 14.866 4.421 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.883 16.120 5.029 1.00 0.00 H new ATOM 637 N ASN A 41 -1.967 8.437 4.625 1.00 0.00 N ATOM 638 CA ASN A 41 -2.771 7.522 3.790 1.00 0.00 C ATOM 639 C ASN A 41 -2.183 6.104 3.665 1.00 0.00 C ATOM 640 O ASN A 41 -1.296 5.839 2.844 1.00 0.00 O ATOM 641 CB ASN A 41 -2.988 8.154 2.394 1.00 0.00 C ATOM 642 CG ASN A 41 -4.036 7.450 1.517 1.00 0.00 C ATOM 643 OD1 ASN A 41 -4.427 7.978 0.476 1.00 0.00 O ATOM 644 ND2 ASN A 41 -4.477 6.253 1.911 1.00 0.00 N ATOM 0 H ASN A 41 -1.916 9.385 4.252 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.727 7.392 4.298 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.286 9.194 2.525 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.036 8.160 1.863 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.158 5.748 1.344 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.133 5.843 2.779 1.00 0.00 H new ATOM 651 N ASN A 42 -2.742 5.205 4.478 1.00 0.00 N ATOM 652 CA ASN A 42 -2.369 3.792 4.486 1.00 0.00 C ATOM 653 C ASN A 42 -3.566 2.937 4.863 1.00 0.00 C ATOM 654 O ASN A 42 -4.239 3.204 5.864 1.00 0.00 O ATOM 655 CB ASN A 42 -1.234 3.489 5.451 1.00 0.00 C ATOM 656 CG ASN A 42 0.097 4.071 5.011 1.00 0.00 C ATOM 657 OD1 ASN A 42 0.606 3.746 3.938 1.00 0.00 O ATOM 658 ND2 ASN A 42 0.667 4.938 5.839 1.00 0.00 N ATOM 0 H ASN A 42 -3.470 5.440 5.153 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.028 3.557 3.478 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.488 3.883 6.435 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.134 2.409 5.556 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.562 5.363 5.596 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.210 5.179 6.719 1.00 0.00 H new ATOM 665 N PHE A 43 -3.831 1.924 4.042 1.00 0.00 N ATOM 666 CA PHE A 43 -4.967 1.036 4.281 1.00 0.00 C ATOM 667 C PHE A 43 -4.619 -0.439 4.132 1.00 0.00 C ATOM 668 O PHE A 43 -3.757 -0.809 3.333 1.00 0.00 O ATOM 669 CB PHE A 43 -6.113 1.414 3.354 1.00 0.00 C ATOM 670 CG PHE A 43 -6.760 2.722 3.720 1.00 0.00 C ATOM 671 CD1 PHE A 43 -7.828 2.757 4.603 1.00 0.00 C ATOM 672 CD2 PHE A 43 -6.297 3.914 3.185 1.00 0.00 C ATOM 673 CE1 PHE A 43 -8.419 3.956 4.946 1.00 0.00 C ATOM 674 CE2 PHE A 43 -6.887 5.115 3.525 1.00 0.00 C ATOM 675 CZ PHE A 43 -7.948 5.137 4.406 1.00 0.00 C ATOM 0 H PHE A 43 -3.281 1.698 3.213 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.268 1.170 5.320 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.741 1.473 2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.865 0.625 3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.201 1.837 5.027 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.466 3.903 2.495 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.249 3.971 5.636 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.518 6.037 3.101 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.410 6.076 4.673 1.00 0.00 H new ATOM 685 N LYS A 44 -5.308 -1.268 4.926 1.00 0.00 N ATOM 686 CA LYS A 44 -5.113 -2.719 4.917 1.00 0.00 C ATOM 687 C LYS A 44 -6.176 -3.428 4.069 1.00 0.00 C ATOM 688 O LYS A 44 -5.862 -4.380 3.350 1.00 0.00 O ATOM 689 CB LYS A 44 -5.134 -3.277 6.352 1.00 0.00 C ATOM 690 CG LYS A 44 -3.962 -2.834 7.232 1.00 0.00 C ATOM 691 CD LYS A 44 -2.667 -3.560 6.882 1.00 0.00 C ATOM 692 CE LYS A 44 -1.517 -3.105 7.767 1.00 0.00 C ATOM 693 NZ LYS A 44 -0.248 -3.808 7.433 1.00 0.00 N ATOM 0 H LYS A 44 -6.014 -0.951 5.590 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.138 -2.912 4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.065 -2.973 6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.142 -4.366 6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.814 -1.760 7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.207 -3.017 8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.810 -4.635 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.417 -3.378 5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.377 -2.030 7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.769 -3.287 8.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.511 -3.470 8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.374 -4.832 7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.006 -3.614 6.443 1.00 0.00 H new ATOM 707 N SER A 45 -7.439 -2.975 4.183 1.00 0.00 N ATOM 708 CA SER A 45 -8.558 -3.584 3.448 1.00 0.00 C ATOM 709 C SER A 45 -9.439 -2.535 2.753 1.00 0.00 C ATOM 710 O SER A 45 -9.383 -1.339 3.073 1.00 0.00 O ATOM 711 CB SER A 45 -9.408 -4.427 4.406 1.00 0.00 C ATOM 712 OG SER A 45 -8.640 -5.463 4.993 1.00 0.00 O ATOM 0 H SER A 45 -7.707 -2.190 4.777 1.00 0.00 H new ATOM 0 HA SER A 45 -8.133 -4.218 2.670 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.821 -3.789 5.187 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.252 -4.857 3.866 1.00 0.00 H new ATOM 0 HG SER A 45 -9.205 -5.985 5.601 1.00 0.00 H new ATOM 718 N ALA A 46 -10.261 -3.010 1.794 1.00 0.00 N ATOM 719 CA ALA A 46 -11.177 -2.154 1.023 1.00 0.00 C ATOM 720 C ALA A 46 -12.215 -1.463 1.917 1.00 0.00 C ATOM 721 O ALA A 46 -12.327 -0.235 1.890 1.00 0.00 O ATOM 722 CB ALA A 46 -11.861 -2.968 -0.070 1.00 0.00 C ATOM 0 H ALA A 46 -10.306 -3.996 1.535 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.582 -1.366 0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.536 -2.325 -0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.108 -3.381 -0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.428 -3.781 0.383 1.00 0.00 H new ATOM 728 N GLU A 47 -12.976 -2.259 2.701 1.00 0.00 N ATOM 729 CA GLU A 47 -14.023 -1.736 3.612 1.00 0.00 C ATOM 730 C GLU A 47 -13.496 -0.632 4.541 1.00 0.00 C ATOM 731 O GLU A 47 -14.245 0.272 4.925 1.00 0.00 O ATOM 732 CB GLU A 47 -14.623 -2.872 4.457 1.00 0.00 C ATOM 733 CG GLU A 47 -15.455 -3.885 3.665 1.00 0.00 C ATOM 734 CD GLU A 47 -14.630 -4.904 2.877 1.00 0.00 C ATOM 735 OE1 GLU A 47 -13.386 -4.929 3.022 1.00 0.00 O ATOM 736 OE2 GLU A 47 -15.238 -5.689 2.121 1.00 0.00 O ATOM 0 H GLU A 47 -12.884 -3.275 2.722 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.795 -1.299 2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.813 -3.401 4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.250 -2.436 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.107 -4.420 4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.100 -3.344 2.972 1.00 0.00 H new ATOM 743 N ASP A 48 -12.192 -0.693 4.854 1.00 0.00 N ATOM 744 CA ASP A 48 -11.533 0.314 5.693 1.00 0.00 C ATOM 745 C ASP A 48 -11.200 1.545 4.838 1.00 0.00 C ATOM 746 O ASP A 48 -11.381 2.695 5.275 1.00 0.00 O ATOM 747 CB ASP A 48 -10.261 -0.274 6.326 1.00 0.00 C ATOM 748 CG ASP A 48 -9.707 0.577 7.459 1.00 0.00 C ATOM 749 OD1 ASP A 48 -10.426 0.776 8.461 1.00 0.00 O ATOM 750 OD2 ASP A 48 -8.553 1.042 7.343 1.00 0.00 O ATOM 0 H ASP A 48 -11.571 -1.436 4.534 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.202 0.614 6.499 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.479 -1.273 6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.497 -0.384 5.556 1.00 0.00 H new ATOM 755 N CYS A 49 -10.768 1.282 3.586 1.00 0.00 N ATOM 756 CA CYS A 49 -10.456 2.347 2.627 1.00 0.00 C ATOM 757 C CYS A 49 -11.725 3.105 2.230 1.00 0.00 C ATOM 758 O CYS A 49 -11.656 4.273 1.844 1.00 0.00 O ATOM 759 CB CYS A 49 -9.770 1.786 1.382 1.00 0.00 C ATOM 760 SG CYS A 49 -9.135 3.071 0.256 1.00 0.00 S ATOM 0 H CYS A 49 -10.630 0.339 3.222 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.769 3.040 3.114 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.944 1.145 1.690 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.477 1.157 0.840 1.00 0.00 H new ATOM 765 N MET A 50 -12.886 2.433 2.367 1.00 0.00 N ATOM 766 CA MET A 50 -14.183 3.023 2.075 1.00 0.00 C ATOM 767 C MET A 50 -14.633 3.864 3.273 1.00 0.00 C ATOM 768 O MET A 50 -14.904 5.059 3.128 1.00 0.00 O ATOM 769 CB MET A 50 -15.199 1.921 1.763 1.00 0.00 C ATOM 770 CG MET A 50 -15.011 1.272 0.395 1.00 0.00 C ATOM 771 SD MET A 50 -16.221 -0.027 0.048 1.00 0.00 S ATOM 772 CE MET A 50 -17.715 0.926 -0.239 1.00 0.00 C ATOM 0 H MET A 50 -12.937 1.465 2.685 1.00 0.00 H new ATOM 0 HA MET A 50 -14.109 3.670 1.201 1.00 0.00 H new ATOM 0 HB2 MET A 50 -15.131 1.151 2.531 1.00 0.00 H new ATOM 0 HB3 MET A 50 -16.203 2.341 1.820 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.080 2.039 -0.376 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.008 0.850 0.335 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.503 0.266 -0.602 1.00 0.00 H new ATOM 0 HE2 MET A 50 -18.033 1.393 0.693 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.517 1.698 -0.983 1.00 0.00 H new ATOM 782 N ARG A 51 -14.694 3.228 4.467 1.00 0.00 N ATOM 783 CA ARG A 51 -15.088 3.910 5.720 1.00 0.00 C ATOM 784 C ARG A 51 -14.378 5.263 5.871 1.00 0.00 C ATOM 785 O ARG A 51 -14.983 6.237 6.328 1.00 0.00 O ATOM 786 CB ARG A 51 -14.787 3.028 6.937 1.00 0.00 C ATOM 787 CG ARG A 51 -15.714 1.830 7.076 1.00 0.00 C ATOM 788 CD ARG A 51 -15.368 0.996 8.299 1.00 0.00 C ATOM 789 NE ARG A 51 -16.256 -0.163 8.444 1.00 0.00 N ATOM 790 CZ ARG A 51 -16.177 -1.066 9.432 1.00 0.00 C ATOM 791 NH1 ARG A 51 -15.253 -0.967 10.386 1.00 0.00 N ATOM 792 NH2 ARG A 51 -17.034 -2.077 9.463 1.00 0.00 N ATOM 0 H ARG A 51 -14.474 2.239 4.587 1.00 0.00 H new ATOM 0 HA ARG A 51 -16.162 4.090 5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.759 2.673 6.870 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.857 3.635 7.839 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -16.746 2.174 7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.647 1.211 6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.336 0.654 8.224 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -15.434 1.617 9.192 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.986 -0.291 7.743 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.588 -0.193 10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.210 -1.665 11.129 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.747 -2.164 8.739 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.981 -2.768 10.211 1.00 0.00 H new ATOM 806 N THR A 52 -13.101 5.314 5.446 1.00 0.00 N ATOM 807 CA THR A 52 -12.320 6.552 5.497 1.00 0.00 C ATOM 808 C THR A 52 -12.490 7.341 4.177 1.00 0.00 C ATOM 809 O THR A 52 -12.928 8.495 4.201 1.00 0.00 O ATOM 810 CB THR A 52 -10.837 6.236 5.781 1.00 0.00 C ATOM 811 OG1 THR A 52 -10.720 5.294 6.833 1.00 0.00 O ATOM 812 CG2 THR A 52 -10.013 7.447 6.183 1.00 0.00 C ATOM 0 H THR A 52 -12.596 4.513 5.066 1.00 0.00 H new ATOM 0 HA THR A 52 -12.688 7.177 6.311 1.00 0.00 H new ATOM 0 HB THR A 52 -10.452 5.849 4.838 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.985 4.408 6.509 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.983 7.142 6.365 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.036 8.185 5.381 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.428 7.884 7.091 1.00 0.00 H new ATOM 820 N CYS A 53 -12.133 6.714 3.041 1.00 0.00 N ATOM 821 CA CYS A 53 -12.234 7.344 1.728 1.00 0.00 C ATOM 822 C CYS A 53 -13.140 6.552 0.768 1.00 0.00 C ATOM 823 O CYS A 53 -12.687 6.063 -0.275 1.00 0.00 O ATOM 824 CB CYS A 53 -10.838 7.502 1.116 1.00 0.00 C ATOM 825 SG CYS A 53 -9.446 6.900 2.137 1.00 0.00 S ATOM 0 H CYS A 53 -11.769 5.761 3.016 1.00 0.00 H new ATOM 0 HA CYS A 53 -12.689 8.324 1.872 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.819 6.974 0.162 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.675 8.558 0.900 1.00 0.00 H new ATOM 830 N GLY A 54 -14.422 6.426 1.121 1.00 0.00 N ATOM 831 CA GLY A 54 -15.367 5.697 0.282 1.00 0.00 C ATOM 832 C GLY A 54 -16.170 6.613 -0.622 1.00 0.00 C ATOM 833 O GLY A 54 -15.675 7.050 -1.665 1.00 0.00 O ATOM 0 H GLY A 54 -14.823 6.816 1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.824 4.975 -0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -16.048 5.130 0.916 1.00 0.00 H new ATOM 837 N GLY A 55 -17.411 6.901 -0.214 1.00 0.00 N ATOM 838 CA GLY A 55 -18.283 7.769 -0.993 1.00 0.00 C ATOM 839 C GLY A 55 -19.094 8.714 -0.125 1.00 0.00 C ATOM 840 O GLY A 55 -20.309 8.830 -0.300 1.00 0.00 O ATOM 0 H GLY A 55 -17.827 6.545 0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.681 8.350 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.961 7.157 -1.588 1.00 0.00 H new ATOM 844 N ALA A 56 -18.406 9.395 0.817 1.00 0.00 N ATOM 845 CA ALA A 56 -19.023 10.362 1.759 1.00 0.00 C ATOM 846 C ALA A 56 -20.025 9.694 2.706 1.00 0.00 C ATOM 847 O ALA A 56 -20.950 9.015 2.212 1.00 0.00 O ATOM 848 CB ALA A 56 -19.683 11.528 1.018 1.00 0.00 C ATOM 849 OXT ALA A 56 -19.872 9.858 3.935 1.00 0.00 O ATOM 0 H ALA A 56 -17.400 9.290 0.948 1.00 0.00 H new ATOM 0 HA ALA A 56 -18.210 10.758 2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -20.124 12.215 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -18.934 12.054 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -20.462 11.146 0.359 1.00 0.00 H new TER 855 ALA A 56