USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 394 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 29 GLN : amide:sc= 0.0102 K(o=0.01,f=-0.58) USER MOD Set 1.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ -174:sc= -7.62! (180deg=-7.86!) USER MOD Single : A 8 TYR OH : rot -54:sc= 0.562 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 165:sc= -1.54! USER MOD Single : A 22 ASN : amide:sc= -2.68! K(o=-2.7!,f=-1.4) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.0238 (180deg=-0.223) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -5.16! C(o=-5.2!,f=-8.1!) USER MOD Single : A 42 ASN : amide:sc= -0.768 X(o=-0.77,f=-1.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -1:sc= 0.438 USER MOD Single : A 50 MET CE :methyl 172:sc= 0 (180deg=-0.0458) USER MOD Single : A 52 THR OG1 : rot 144:sc= 0.514 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -3.595 8.037 3.499 1.00 0.00 N ATOM 2 CA ASP A 1 -2.490 7.093 3.789 1.00 0.00 C ATOM 3 C ASP A 1 -2.990 5.676 3.720 1.00 0.00 C ATOM 4 O ASP A 1 -2.313 4.782 3.205 1.00 0.00 O ATOM 5 CB ASP A 1 -1.909 7.399 5.179 1.00 0.00 C ATOM 6 CG ASP A 1 -1.218 8.751 5.246 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.234 8.953 4.503 1.00 0.00 O ATOM 8 OD2 ASP A 1 -1.663 9.605 6.041 1.00 0.00 O ATOM 0 H1 ASP A 1 -3.220 9.006 3.449 1.00 0.00 H new ATOM 0 H2 ASP A 1 -4.035 7.788 2.590 1.00 0.00 H new ATOM 0 H3 ASP A 1 -4.307 7.981 4.255 1.00 0.00 H new ATOM 0 HA ASP A 1 -1.703 7.212 3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -2.711 7.369 5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -1.197 6.619 5.450 1.00 0.00 H new ATOM 15 N PHE A 2 -4.176 5.492 4.268 1.00 0.00 N ATOM 16 CA PHE A 2 -4.821 4.220 4.327 1.00 0.00 C ATOM 17 C PHE A 2 -6.227 4.285 3.781 1.00 0.00 C ATOM 18 O PHE A 2 -6.845 3.243 3.544 1.00 0.00 O ATOM 19 CB PHE A 2 -4.872 3.804 5.772 1.00 0.00 C ATOM 20 CG PHE A 2 -3.591 3.335 6.364 1.00 0.00 C ATOM 21 CD1 PHE A 2 -2.520 4.194 6.541 1.00 0.00 C ATOM 22 CD2 PHE A 2 -3.480 2.024 6.760 1.00 0.00 C ATOM 23 CE1 PHE A 2 -1.349 3.737 7.103 1.00 0.00 C ATOM 24 CE2 PHE A 2 -2.328 1.556 7.322 1.00 0.00 C ATOM 25 CZ PHE A 2 -1.251 2.411 7.498 1.00 0.00 C ATOM 0 H PHE A 2 -4.718 6.246 4.690 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.263 3.506 3.721 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -5.232 4.648 6.359 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.609 3.007 5.874 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.603 5.227 6.237 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.316 1.354 6.625 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.512 4.407 7.235 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -2.255 0.523 7.629 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.337 2.045 7.942 1.00 0.00 H new ATOM 35 N CYS A 3 -6.761 5.509 3.635 1.00 0.00 N ATOM 36 CA CYS A 3 -8.131 5.668 3.175 1.00 0.00 C ATOM 37 C CYS A 3 -8.365 6.884 2.278 1.00 0.00 C ATOM 38 O CYS A 3 -9.320 6.872 1.505 1.00 0.00 O ATOM 39 CB CYS A 3 -9.065 5.769 4.374 1.00 0.00 C ATOM 40 SG CYS A 3 -8.558 4.812 5.831 1.00 0.00 S ATOM 0 H CYS A 3 -6.268 6.381 3.827 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.337 4.786 2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -9.151 6.817 4.660 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -10.058 5.439 4.070 1.00 0.00 H new ATOM 45 N LEU A 4 -7.543 7.944 2.380 1.00 0.00 N ATOM 46 CA LEU A 4 -7.764 9.142 1.555 1.00 0.00 C ATOM 47 C LEU A 4 -6.477 9.879 1.249 1.00 0.00 C ATOM 48 O LEU A 4 -6.198 10.217 0.095 1.00 0.00 O ATOM 49 CB LEU A 4 -8.755 10.112 2.229 1.00 0.00 C ATOM 50 CG LEU A 4 -8.694 10.156 3.757 1.00 0.00 C ATOM 51 CD1 LEU A 4 -8.919 11.572 4.264 1.00 0.00 C ATOM 52 CD2 LEU A 4 -9.743 9.213 4.330 1.00 0.00 C ATOM 0 H LEU A 4 -6.741 7.996 3.008 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.186 8.786 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.572 11.116 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.767 9.837 1.930 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.704 9.837 4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.872 11.580 5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.148 12.229 3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.899 11.923 3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.702 9.242 5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.733 9.523 3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.546 8.198 3.986 1.00 0.00 H new ATOM 64 N GLU A 5 -5.707 10.125 2.304 1.00 0.00 N ATOM 65 CA GLU A 5 -4.435 10.825 2.233 1.00 0.00 C ATOM 66 C GLU A 5 -3.470 10.153 1.229 1.00 0.00 C ATOM 67 O GLU A 5 -3.652 8.976 0.911 1.00 0.00 O ATOM 68 CB GLU A 5 -3.848 10.870 3.635 1.00 0.00 C ATOM 69 CG GLU A 5 -4.383 12.009 4.491 1.00 0.00 C ATOM 70 CD GLU A 5 -3.782 12.031 5.886 1.00 0.00 C ATOM 71 OE1 GLU A 5 -3.991 11.057 6.641 1.00 0.00 O ATOM 72 OE2 GLU A 5 -3.100 13.022 6.222 1.00 0.00 O ATOM 0 H GLU A 5 -5.957 9.836 3.250 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.590 11.839 1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.055 9.924 4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.764 10.961 3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.175 12.958 3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.467 11.921 4.569 1.00 0.00 H new ATOM 79 N PRO A 6 -2.462 10.899 0.679 1.00 0.00 N ATOM 80 CA PRO A 6 -1.510 10.372 -0.333 1.00 0.00 C ATOM 81 C PRO A 6 -0.839 9.017 0.013 1.00 0.00 C ATOM 82 O PRO A 6 0.107 8.975 0.810 1.00 0.00 O ATOM 83 CB PRO A 6 -0.462 11.484 -0.437 1.00 0.00 C ATOM 84 CG PRO A 6 -1.203 12.726 -0.100 1.00 0.00 C ATOM 85 CD PRO A 6 -2.194 12.335 0.960 1.00 0.00 C ATOM 0 HA PRO A 6 -2.037 10.143 -1.259 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.365 11.316 0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.036 11.535 -1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.526 13.499 0.263 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.708 13.131 -0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.787 12.478 1.961 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.104 12.932 0.897 1.00 0.00 H new ATOM 93 N PRO A 7 -1.320 7.880 -0.605 1.00 0.00 N ATOM 94 CA PRO A 7 -0.757 6.520 -0.389 1.00 0.00 C ATOM 95 C PRO A 7 0.767 6.475 -0.553 1.00 0.00 C ATOM 96 O PRO A 7 1.310 7.063 -1.494 1.00 0.00 O ATOM 97 CB PRO A 7 -1.429 5.686 -1.485 1.00 0.00 C ATOM 98 CG PRO A 7 -2.713 6.370 -1.735 1.00 0.00 C ATOM 99 CD PRO A 7 -2.451 7.835 -1.565 1.00 0.00 C ATOM 0 HA PRO A 7 -0.942 6.163 0.624 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.817 5.648 -2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.584 4.657 -1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.079 6.155 -2.739 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.477 6.028 -1.037 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.192 8.308 -2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.326 8.356 -1.178 1.00 0.00 H new ATOM 107 N TYR A 8 1.450 5.788 0.378 1.00 0.00 N ATOM 108 CA TYR A 8 2.913 5.667 0.371 1.00 0.00 C ATOM 109 C TYR A 8 3.428 5.006 -0.925 1.00 0.00 C ATOM 110 O TYR A 8 2.648 4.404 -1.670 1.00 0.00 O ATOM 111 CB TYR A 8 3.355 4.864 1.612 1.00 0.00 C ATOM 112 CG TYR A 8 2.955 3.405 1.591 1.00 0.00 C ATOM 113 CD1 TYR A 8 1.624 3.021 1.724 1.00 0.00 C ATOM 114 CD2 TYR A 8 3.911 2.418 1.434 1.00 0.00 C ATOM 115 CE1 TYR A 8 1.267 1.692 1.699 1.00 0.00 C ATOM 116 CE2 TYR A 8 3.557 1.091 1.408 1.00 0.00 C ATOM 117 CZ TYR A 8 2.234 0.731 1.539 1.00 0.00 C ATOM 118 OH TYR A 8 1.875 -0.593 1.505 1.00 0.00 O ATOM 0 H TYR A 8 1.002 5.302 1.155 1.00 0.00 H new ATOM 0 HA TYR A 8 3.347 6.666 0.406 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.439 4.929 1.704 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.931 5.331 2.501 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.861 3.776 1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.950 2.694 1.330 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.231 1.407 1.805 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.315 0.331 1.285 1.00 0.00 H new ATOM 0 HH TYR A 8 1.355 -0.812 2.307 1.00 0.00 H new ATOM 128 N THR A 9 4.736 5.126 -1.176 1.00 0.00 N ATOM 129 CA THR A 9 5.350 4.541 -2.373 1.00 0.00 C ATOM 130 C THR A 9 6.379 3.471 -2.027 1.00 0.00 C ATOM 131 O THR A 9 6.620 2.570 -2.833 1.00 0.00 O ATOM 132 CB THR A 9 5.994 5.621 -3.241 1.00 0.00 C ATOM 133 OG1 THR A 9 6.759 6.522 -2.460 1.00 0.00 O ATOM 134 CG2 THR A 9 4.981 6.416 -4.027 1.00 0.00 C ATOM 0 H THR A 9 5.388 5.621 -0.568 1.00 0.00 H new ATOM 0 HA THR A 9 4.548 4.063 -2.935 1.00 0.00 H new ATOM 0 HB THR A 9 6.639 5.089 -3.940 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.160 7.201 -3.042 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.494 7.169 -4.626 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.424 5.748 -4.684 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.291 6.907 -3.340 1.00 0.00 H new ATOM 142 N GLY A 10 6.978 3.572 -0.836 1.00 0.00 N ATOM 143 CA GLY A 10 7.968 2.598 -0.412 1.00 0.00 C ATOM 144 C GLY A 10 9.374 3.176 -0.352 1.00 0.00 C ATOM 145 O GLY A 10 10.100 3.114 -1.348 1.00 0.00 O ATOM 0 H GLY A 10 6.792 4.313 -0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.696 2.214 0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.957 1.752 -1.099 1.00 0.00 H new ATOM 149 N PRO A 11 9.794 3.755 0.808 1.00 0.00 N ATOM 150 CA PRO A 11 11.137 4.354 0.977 1.00 0.00 C ATOM 151 C PRO A 11 12.278 3.319 1.086 1.00 0.00 C ATOM 152 O PRO A 11 13.416 3.684 1.405 1.00 0.00 O ATOM 153 CB PRO A 11 11.013 5.148 2.293 1.00 0.00 C ATOM 154 CG PRO A 11 9.560 5.157 2.630 1.00 0.00 C ATOM 155 CD PRO A 11 9.003 3.900 2.045 1.00 0.00 C ATOM 0 HA PRO A 11 11.404 4.955 0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.595 4.681 3.087 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.393 6.163 2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 11 9.408 5.188 3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.067 6.035 2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.132 3.048 2.713 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.936 3.985 1.839 1.00 0.00 H new ATOM 163 N CYS A 12 11.975 2.039 0.816 1.00 0.00 N ATOM 164 CA CYS A 12 12.980 0.973 0.889 1.00 0.00 C ATOM 165 C CYS A 12 13.284 0.376 -0.499 1.00 0.00 C ATOM 166 O CYS A 12 14.401 0.526 -1.003 1.00 0.00 O ATOM 167 CB CYS A 12 12.531 -0.127 1.861 1.00 0.00 C ATOM 168 SG CYS A 12 12.309 0.419 3.592 1.00 0.00 S ATOM 0 H CYS A 12 11.044 1.721 0.546 1.00 0.00 H new ATOM 0 HA CYS A 12 13.902 1.418 1.264 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.590 -0.545 1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.266 -0.932 1.841 1.00 0.00 H new ATOM 173 N ARG A 13 12.294 -0.309 -1.104 1.00 0.00 N ATOM 174 CA ARG A 13 12.458 -0.937 -2.421 1.00 0.00 C ATOM 175 C ARG A 13 12.002 0.000 -3.555 1.00 0.00 C ATOM 176 O ARG A 13 11.864 1.209 -3.348 1.00 0.00 O ATOM 177 CB ARG A 13 11.694 -2.278 -2.489 1.00 0.00 C ATOM 178 CG ARG A 13 12.187 -3.336 -1.506 1.00 0.00 C ATOM 179 CD ARG A 13 11.701 -4.738 -1.871 1.00 0.00 C ATOM 180 NE ARG A 13 10.237 -4.889 -1.800 1.00 0.00 N ATOM 181 CZ ARG A 13 9.587 -6.049 -1.985 1.00 0.00 C ATOM 182 NH1 ARG A 13 10.250 -7.173 -2.249 1.00 0.00 N ATOM 183 NH2 ARG A 13 8.265 -6.081 -1.903 1.00 0.00 N ATOM 0 H ARG A 13 11.369 -0.439 -0.695 1.00 0.00 H new ATOM 0 HA ARG A 13 13.521 -1.135 -2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.637 -2.090 -2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.772 -2.676 -3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.277 -3.326 -1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.844 -3.085 -0.503 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.035 -4.978 -2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.166 -5.461 -1.201 1.00 0.00 H new ATOM 0 HE ARG A 13 9.681 -4.058 -1.597 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.268 -7.162 -2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.740 -8.046 -2.387 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.746 -5.227 -1.700 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.766 -6.960 -2.043 1.00 0.00 H new ATOM 197 N ALA A 14 11.780 -0.573 -4.757 1.00 0.00 N ATOM 198 CA ALA A 14 11.353 0.179 -5.936 1.00 0.00 C ATOM 199 C ALA A 14 9.869 0.596 -5.858 1.00 0.00 C ATOM 200 O ALA A 14 9.507 1.419 -5.012 1.00 0.00 O ATOM 201 CB ALA A 14 11.654 -0.631 -7.198 1.00 0.00 C ATOM 0 H ALA A 14 11.895 -1.572 -4.928 1.00 0.00 H new ATOM 0 HA ALA A 14 11.921 1.109 -5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.335 -0.069 -8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.725 -0.824 -7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.117 -1.579 -7.159 1.00 0.00 H new ATOM 207 N ALA A 15 9.021 0.033 -6.741 1.00 0.00 N ATOM 208 CA ALA A 15 7.595 0.350 -6.774 1.00 0.00 C ATOM 209 C ALA A 15 6.755 -0.857 -7.193 1.00 0.00 C ATOM 210 O ALA A 15 6.907 -1.384 -8.300 1.00 0.00 O ATOM 211 CB ALA A 15 7.321 1.533 -7.703 1.00 0.00 C ATOM 0 H ALA A 15 9.310 -0.648 -7.443 1.00 0.00 H new ATOM 0 HA ALA A 15 7.303 0.624 -5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.253 1.750 -7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.866 2.408 -7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.648 1.286 -8.713 1.00 0.00 H new ATOM 217 N ILE A 16 5.870 -1.279 -6.287 1.00 0.00 N ATOM 218 CA ILE A 16 4.976 -2.421 -6.512 1.00 0.00 C ATOM 219 C ILE A 16 3.521 -1.933 -6.308 1.00 0.00 C ATOM 220 O ILE A 16 3.274 -1.109 -5.422 1.00 0.00 O ATOM 221 CB ILE A 16 5.357 -3.585 -5.539 1.00 0.00 C ATOM 222 CG1 ILE A 16 6.864 -3.891 -5.625 1.00 0.00 C ATOM 223 CG2 ILE A 16 4.556 -4.857 -5.808 1.00 0.00 C ATOM 224 CD1 ILE A 16 7.525 -4.086 -4.273 1.00 0.00 C ATOM 0 H ILE A 16 5.752 -0.839 -5.375 1.00 0.00 H new ATOM 0 HA ILE A 16 5.073 -2.811 -7.525 1.00 0.00 H new ATOM 0 HB ILE A 16 5.109 -3.246 -4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.010 -4.790 -6.224 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.362 -3.075 -6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.859 -5.633 -5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.493 -4.651 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.743 -5.196 -6.827 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.585 -4.298 -4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.412 -3.179 -3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.054 -4.921 -3.755 1.00 0.00 H new ATOM 236 N ILE A 17 2.580 -2.378 -7.168 1.00 0.00 N ATOM 237 CA ILE A 17 1.179 -1.903 -7.102 1.00 0.00 C ATOM 238 C ILE A 17 0.139 -2.987 -6.784 1.00 0.00 C ATOM 239 O ILE A 17 0.313 -4.175 -7.062 1.00 0.00 O ATOM 240 CB ILE A 17 0.813 -1.188 -8.444 1.00 0.00 C ATOM 241 CG1 ILE A 17 -0.479 -0.361 -8.362 1.00 0.00 C ATOM 242 CG2 ILE A 17 0.731 -2.161 -9.624 1.00 0.00 C ATOM 243 CD1 ILE A 17 -0.257 1.048 -7.867 1.00 0.00 C ATOM 0 H ILE A 17 2.760 -3.057 -7.908 1.00 0.00 H new ATOM 0 HA ILE A 17 1.137 -1.213 -6.259 1.00 0.00 H new ATOM 0 HB ILE A 17 1.637 -0.497 -8.620 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.941 -0.323 -9.349 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.183 -0.865 -7.699 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.474 -1.613 -10.530 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.695 -2.652 -9.758 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.034 -2.911 -9.424 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.210 1.576 -7.833 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.177 1.018 -6.868 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.422 1.568 -8.542 1.00 0.00 H new ATOM 255 N ARG A 18 -0.965 -2.480 -6.223 1.00 0.00 N ATOM 256 CA ARG A 18 -2.161 -3.254 -5.837 1.00 0.00 C ATOM 257 C ARG A 18 -3.303 -2.282 -5.520 1.00 0.00 C ATOM 258 O ARG A 18 -3.448 -1.308 -6.229 1.00 0.00 O ATOM 259 CB ARG A 18 -1.915 -4.208 -4.655 1.00 0.00 C ATOM 260 CG ARG A 18 -2.761 -5.481 -4.676 1.00 0.00 C ATOM 261 CD ARG A 18 -2.292 -6.490 -5.734 1.00 0.00 C ATOM 262 NE ARG A 18 -0.936 -7.019 -5.478 1.00 0.00 N ATOM 263 CZ ARG A 18 -0.605 -7.867 -4.487 1.00 0.00 C ATOM 264 NH1 ARG A 18 -1.520 -8.306 -3.625 1.00 0.00 N ATOM 265 NH2 ARG A 18 0.650 -8.273 -4.364 1.00 0.00 N ATOM 0 H ARG A 18 -1.058 -1.486 -6.016 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.427 -3.891 -6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.862 -4.488 -4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.112 -3.672 -3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.727 -5.950 -3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.801 -5.217 -4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.997 -7.320 -5.772 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.309 -6.013 -6.714 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.190 -6.716 -6.104 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.489 -8.000 -3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.252 -8.949 -2.880 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.359 -7.943 -5.018 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.907 -8.916 -3.615 1.00 0.00 H new ATOM 279 N TYR A 19 -4.129 -2.556 -4.485 1.00 0.00 N ATOM 280 CA TYR A 19 -5.277 -1.694 -4.160 1.00 0.00 C ATOM 281 C TYR A 19 -5.112 -0.894 -2.858 1.00 0.00 C ATOM 282 O TYR A 19 -4.746 -1.459 -1.814 1.00 0.00 O ATOM 283 CB TYR A 19 -6.554 -2.558 -4.053 1.00 0.00 C ATOM 284 CG TYR A 19 -7.014 -3.261 -5.337 1.00 0.00 C ATOM 285 CD1 TYR A 19 -6.193 -3.384 -6.459 1.00 0.00 C ATOM 286 CD2 TYR A 19 -8.294 -3.801 -5.414 1.00 0.00 C ATOM 287 CE1 TYR A 19 -6.626 -4.017 -7.605 1.00 0.00 C ATOM 288 CE2 TYR A 19 -8.736 -4.437 -6.561 1.00 0.00 C ATOM 289 CZ TYR A 19 -7.899 -4.543 -7.653 1.00 0.00 C ATOM 290 OH TYR A 19 -8.338 -5.174 -8.794 1.00 0.00 O ATOM 0 H TYR A 19 -4.020 -3.361 -3.868 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.348 -0.968 -4.970 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.389 -3.317 -3.289 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.367 -1.923 -3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.195 -2.974 -6.429 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.955 -3.722 -4.563 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.971 -4.100 -8.460 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.733 -4.849 -6.601 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.257 -5.488 -8.661 1.00 0.00 H new ATOM 300 N PHE A 20 -5.454 0.416 -2.934 1.00 0.00 N ATOM 301 CA PHE A 20 -5.431 1.326 -1.776 1.00 0.00 C ATOM 302 C PHE A 20 -6.867 1.827 -1.527 1.00 0.00 C ATOM 303 O PHE A 20 -7.761 1.503 -2.300 1.00 0.00 O ATOM 304 CB PHE A 20 -4.381 2.469 -1.976 1.00 0.00 C ATOM 305 CG PHE A 20 -4.788 3.786 -2.595 1.00 0.00 C ATOM 306 CD1 PHE A 20 -5.618 4.665 -1.927 1.00 0.00 C ATOM 307 CD2 PHE A 20 -4.273 4.163 -3.816 1.00 0.00 C ATOM 308 CE1 PHE A 20 -5.948 5.887 -2.476 1.00 0.00 C ATOM 309 CE2 PHE A 20 -4.591 5.387 -4.374 1.00 0.00 C ATOM 310 CZ PHE A 20 -5.436 6.249 -3.703 1.00 0.00 C ATOM 0 H PHE A 20 -5.752 0.864 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.101 0.804 -0.878 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.957 2.691 -0.997 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.575 2.062 -2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.015 4.392 -0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.611 3.493 -4.345 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.606 6.559 -1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.180 5.668 -5.332 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.694 7.203 -4.138 1.00 0.00 H new ATOM 320 N TYR A 21 -7.101 2.599 -0.463 1.00 0.00 N ATOM 321 CA TYR A 21 -8.443 3.115 -0.189 1.00 0.00 C ATOM 322 C TYR A 21 -8.494 4.594 -0.611 1.00 0.00 C ATOM 323 O TYR A 21 -7.808 5.428 -0.020 1.00 0.00 O ATOM 324 CB TYR A 21 -8.796 2.965 1.307 1.00 0.00 C ATOM 325 CG TYR A 21 -10.281 2.943 1.599 1.00 0.00 C ATOM 326 CD1 TYR A 21 -11.022 1.782 1.411 1.00 0.00 C ATOM 327 CD2 TYR A 21 -10.943 4.075 2.057 1.00 0.00 C ATOM 328 CE1 TYR A 21 -12.377 1.750 1.670 1.00 0.00 C ATOM 329 CE2 TYR A 21 -12.300 4.050 2.320 1.00 0.00 C ATOM 330 CZ TYR A 21 -13.012 2.885 2.124 1.00 0.00 C ATOM 331 OH TYR A 21 -14.362 2.855 2.386 1.00 0.00 O ATOM 0 H TYR A 21 -6.390 2.877 0.213 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.176 2.542 -0.757 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.350 2.044 1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.341 3.787 1.859 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.529 0.889 1.056 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.389 4.989 2.210 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.937 0.839 1.517 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.800 4.938 2.677 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.610 3.641 2.916 1.00 0.00 H new ATOM 341 N ASN A 22 -9.284 4.907 -1.646 1.00 0.00 N ATOM 342 CA ASN A 22 -9.408 6.285 -2.144 1.00 0.00 C ATOM 343 C ASN A 22 -10.818 6.802 -1.822 1.00 0.00 C ATOM 344 O ASN A 22 -11.662 6.953 -2.712 1.00 0.00 O ATOM 345 CB ASN A 22 -9.098 6.348 -3.652 1.00 0.00 C ATOM 346 CG ASN A 22 -9.028 7.762 -4.244 1.00 0.00 C ATOM 347 OD1 ASN A 22 -8.901 7.921 -5.459 1.00 0.00 O ATOM 348 ND2 ASN A 22 -9.094 8.793 -3.402 1.00 0.00 N ATOM 0 H ASN A 22 -9.847 4.226 -2.155 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.681 6.929 -1.649 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.147 5.848 -3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.861 5.784 -4.188 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.039 9.747 -3.759 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.199 8.628 -2.401 1.00 0.00 H new ATOM 355 N ALA A 23 -11.062 7.015 -0.514 1.00 0.00 N ATOM 356 CA ALA A 23 -12.363 7.452 0.045 1.00 0.00 C ATOM 357 C ALA A 23 -12.897 8.792 -0.503 1.00 0.00 C ATOM 358 O ALA A 23 -13.507 9.588 0.225 1.00 0.00 O ATOM 359 CB ALA A 23 -12.245 7.511 1.562 1.00 0.00 C ATOM 0 H ALA A 23 -10.347 6.886 0.201 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.098 6.713 -0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.195 7.831 1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.990 6.523 1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.465 8.221 1.839 1.00 0.00 H new ATOM 365 N LYS A 24 -12.672 9.014 -1.786 1.00 0.00 N ATOM 366 CA LYS A 24 -13.111 10.217 -2.474 1.00 0.00 C ATOM 367 C LYS A 24 -13.804 9.897 -3.806 1.00 0.00 C ATOM 368 O LYS A 24 -14.847 10.477 -4.121 1.00 0.00 O ATOM 369 CB LYS A 24 -11.913 11.129 -2.730 1.00 0.00 C ATOM 370 CG LYS A 24 -11.456 11.950 -1.520 1.00 0.00 C ATOM 371 CD LYS A 24 -10.516 11.174 -0.587 1.00 0.00 C ATOM 372 CE LYS A 24 -9.078 11.115 -1.109 1.00 0.00 C ATOM 373 NZ LYS A 24 -8.423 12.455 -1.123 1.00 0.00 N ATOM 0 H LYS A 24 -12.174 8.357 -2.387 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.836 10.718 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.077 10.519 -3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.163 11.813 -3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.950 12.850 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.331 12.274 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.521 11.642 0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.894 10.159 -0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.496 10.436 -0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.077 10.703 -2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.394 12.337 -1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.784 13.010 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.633 12.954 -0.235 1.00 0.00 H new ATOM 387 N ALA A 25 -13.196 8.992 -4.590 1.00 0.00 N ATOM 388 CA ALA A 25 -13.719 8.604 -5.904 1.00 0.00 C ATOM 389 C ALA A 25 -14.622 7.377 -5.826 1.00 0.00 C ATOM 390 O ALA A 25 -15.834 7.464 -6.047 1.00 0.00 O ATOM 391 CB ALA A 25 -12.555 8.349 -6.853 1.00 0.00 C ATOM 0 H ALA A 25 -12.334 8.513 -4.330 1.00 0.00 H new ATOM 0 HA ALA A 25 -14.332 9.423 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.940 8.060 -7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.960 9.257 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.932 7.547 -6.457 1.00 0.00 H new ATOM 397 N GLY A 26 -14.006 6.251 -5.507 1.00 0.00 N ATOM 398 CA GLY A 26 -14.706 4.983 -5.382 1.00 0.00 C ATOM 399 C GLY A 26 -14.314 4.276 -4.107 1.00 0.00 C ATOM 400 O GLY A 26 -14.774 3.168 -3.822 1.00 0.00 O ATOM 0 H GLY A 26 -13.004 6.190 -5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.782 5.155 -5.392 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.476 4.350 -6.239 1.00 0.00 H new ATOM 404 N LEU A 27 -13.455 4.965 -3.336 1.00 0.00 N ATOM 405 CA LEU A 27 -12.930 4.511 -2.038 1.00 0.00 C ATOM 406 C LEU A 27 -11.892 3.386 -2.153 1.00 0.00 C ATOM 407 O LEU A 27 -11.244 3.048 -1.168 1.00 0.00 O ATOM 408 CB LEU A 27 -14.057 4.193 -1.046 1.00 0.00 C ATOM 409 CG LEU A 27 -14.905 5.419 -0.664 1.00 0.00 C ATOM 410 CD1 LEU A 27 -16.152 5.509 -1.533 1.00 0.00 C ATOM 411 CD2 LEU A 27 -15.278 5.376 0.810 1.00 0.00 C ATOM 0 H LEU A 27 -13.097 5.881 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.377 5.354 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.707 3.433 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.624 3.765 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.306 6.313 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.735 6.384 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.861 5.597 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.755 4.611 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.877 6.252 1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.853 4.473 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.371 5.373 1.415 1.00 0.00 H new ATOM 423 N CYS A 28 -11.700 2.850 -3.363 1.00 0.00 N ATOM 424 CA CYS A 28 -10.713 1.819 -3.612 1.00 0.00 C ATOM 425 C CYS A 28 -9.884 2.191 -4.837 1.00 0.00 C ATOM 426 O CYS A 28 -10.427 2.504 -5.900 1.00 0.00 O ATOM 427 CB CYS A 28 -11.401 0.485 -3.798 1.00 0.00 C ATOM 428 SG CYS A 28 -12.130 -0.210 -2.275 1.00 0.00 S ATOM 0 H CYS A 28 -12.229 3.125 -4.190 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.042 1.736 -2.757 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.188 0.597 -4.544 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -10.681 -0.228 -4.199 1.00 0.00 H new ATOM 433 N GLN A 29 -8.563 2.204 -4.644 1.00 0.00 N ATOM 434 CA GLN A 29 -7.607 2.595 -5.672 1.00 0.00 C ATOM 435 C GLN A 29 -6.422 1.605 -5.776 1.00 0.00 C ATOM 436 O GLN A 29 -6.627 0.399 -5.655 1.00 0.00 O ATOM 437 CB GLN A 29 -7.178 4.034 -5.373 1.00 0.00 C ATOM 438 CG GLN A 29 -7.435 5.020 -6.505 1.00 0.00 C ATOM 439 CD GLN A 29 -6.534 4.812 -7.714 1.00 0.00 C ATOM 440 OE1 GLN A 29 -5.310 4.919 -7.618 1.00 0.00 O ATOM 441 NE2 GLN A 29 -7.138 4.515 -8.858 1.00 0.00 N ATOM 0 H GLN A 29 -8.127 1.940 -3.760 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.069 2.557 -6.659 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.704 4.378 -4.482 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.114 4.041 -5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.475 4.935 -6.819 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.297 6.034 -6.130 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.154 4.436 -8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.586 4.366 -9.702 1.00 0.00 H new ATOM 450 N THR A 30 -5.202 2.115 -6.056 1.00 0.00 N ATOM 451 CA THR A 30 -4.000 1.252 -6.249 1.00 0.00 C ATOM 452 C THR A 30 -2.705 1.835 -5.653 1.00 0.00 C ATOM 453 O THR A 30 -2.524 3.054 -5.663 1.00 0.00 O ATOM 454 CB THR A 30 -3.763 1.014 -7.752 1.00 0.00 C ATOM 455 OG1 THR A 30 -3.671 2.244 -8.450 1.00 0.00 O ATOM 456 CG2 THR A 30 -4.837 0.183 -8.428 1.00 0.00 C ATOM 0 H THR A 30 -5.017 3.113 -6.154 1.00 0.00 H new ATOM 0 HA THR A 30 -4.219 0.325 -5.718 1.00 0.00 H new ATOM 0 HB THR A 30 -2.827 0.457 -7.796 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.519 2.069 -9.402 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.594 0.063 -9.484 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.891 -0.797 -7.954 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.800 0.685 -8.332 1.00 0.00 H new ATOM 464 N PHE A 31 -1.765 0.946 -5.179 1.00 0.00 N ATOM 465 CA PHE A 31 -0.449 1.424 -4.614 1.00 0.00 C ATOM 466 C PHE A 31 0.513 0.344 -4.042 1.00 0.00 C ATOM 467 O PHE A 31 1.622 0.710 -3.643 1.00 0.00 O ATOM 468 CB PHE A 31 -0.685 2.415 -3.425 1.00 0.00 C ATOM 469 CG PHE A 31 -1.223 1.780 -2.140 1.00 0.00 C ATOM 470 CD1 PHE A 31 -1.884 0.548 -2.139 1.00 0.00 C ATOM 471 CD2 PHE A 31 -1.057 2.426 -0.930 1.00 0.00 C ATOM 472 CE1 PHE A 31 -2.359 -0.005 -0.973 1.00 0.00 C ATOM 473 CE2 PHE A 31 -1.536 1.873 0.240 1.00 0.00 C ATOM 474 CZ PHE A 31 -2.186 0.660 0.216 1.00 0.00 C ATOM 0 H PHE A 31 -1.886 -0.067 -5.175 1.00 0.00 H new ATOM 0 HA PHE A 31 0.022 1.865 -5.492 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.257 2.914 -3.197 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.384 3.186 -3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.024 0.021 -3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.545 3.377 -0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.866 -0.958 -0.992 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.401 2.393 1.177 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.560 0.231 1.133 1.00 0.00 H new ATOM 484 N VAL A 32 0.044 -0.912 -3.858 1.00 0.00 N ATOM 485 CA VAL A 32 0.824 -1.976 -3.126 1.00 0.00 C ATOM 486 C VAL A 32 1.807 -1.358 -2.137 1.00 0.00 C ATOM 487 O VAL A 32 1.461 -1.147 -0.972 1.00 0.00 O ATOM 488 CB VAL A 32 1.559 -3.097 -3.965 1.00 0.00 C ATOM 489 CG1 VAL A 32 2.904 -3.506 -3.354 1.00 0.00 C ATOM 490 CG2 VAL A 32 0.735 -4.359 -4.015 1.00 0.00 C ATOM 0 H VAL A 32 -0.864 -1.227 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 32 0.021 -2.520 -2.628 1.00 0.00 H new ATOM 0 HB VAL A 32 1.707 -2.662 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.364 -4.278 -3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.562 -2.638 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.744 -3.893 -2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.262 -5.115 -4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.574 -4.729 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.227 -4.147 -4.481 1.00 0.00 H new ATOM 500 N TYR A 33 3.043 -1.134 -2.624 1.00 0.00 N ATOM 501 CA TYR A 33 4.156 -0.619 -1.835 1.00 0.00 C ATOM 502 C TYR A 33 5.496 -0.805 -2.558 1.00 0.00 C ATOM 503 O TYR A 33 5.604 -1.610 -3.485 1.00 0.00 O ATOM 504 CB TYR A 33 4.080 -1.352 -0.493 1.00 0.00 C ATOM 505 CG TYR A 33 5.144 -2.317 -0.100 1.00 0.00 C ATOM 506 CD1 TYR A 33 5.236 -3.543 -0.719 1.00 0.00 C ATOM 507 CD2 TYR A 33 5.969 -2.044 0.952 1.00 0.00 C ATOM 508 CE1 TYR A 33 6.154 -4.475 -0.297 1.00 0.00 C ATOM 509 CE2 TYR A 33 6.872 -2.964 1.394 1.00 0.00 C ATOM 510 CZ TYR A 33 6.971 -4.184 0.768 1.00 0.00 C ATOM 511 OH TYR A 33 7.882 -5.115 1.213 1.00 0.00 O ATOM 0 H TYR A 33 3.290 -1.313 -3.597 1.00 0.00 H new ATOM 0 HA TYR A 33 4.087 0.458 -1.682 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.030 -0.592 0.287 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.133 -1.891 -0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.580 -3.775 -1.545 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.905 -1.084 1.442 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.232 -5.428 -0.799 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.509 -2.735 2.235 1.00 0.00 H new ATOM 0 HH TYR A 33 8.380 -4.748 1.973 1.00 0.00 H new ATOM 521 N GLY A 34 6.503 -0.050 -2.122 1.00 0.00 N ATOM 522 CA GLY A 34 7.820 -0.137 -2.712 1.00 0.00 C ATOM 523 C GLY A 34 8.900 -0.312 -1.666 1.00 0.00 C ATOM 524 O GLY A 34 9.820 0.502 -1.586 1.00 0.00 O ATOM 0 H GLY A 34 6.423 0.626 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.851 -0.975 -3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.018 0.765 -3.290 1.00 0.00 H new ATOM 528 N GLY A 35 8.769 -1.369 -0.856 1.00 0.00 N ATOM 529 CA GLY A 35 9.731 -1.645 0.204 1.00 0.00 C ATOM 530 C GLY A 35 9.274 -1.115 1.552 1.00 0.00 C ATOM 531 O GLY A 35 8.331 -0.319 1.609 1.00 0.00 O ATOM 0 H GLY A 35 8.006 -2.043 -0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.891 -2.721 0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.690 -1.196 -0.054 1.00 0.00 H new ATOM 535 N CYS A 36 9.941 -1.572 2.638 1.00 0.00 N ATOM 536 CA CYS A 36 9.632 -1.174 4.038 1.00 0.00 C ATOM 537 C CYS A 36 8.529 -2.072 4.641 1.00 0.00 C ATOM 538 O CYS A 36 8.208 -3.118 4.066 1.00 0.00 O ATOM 539 CB CYS A 36 9.262 0.324 4.129 1.00 0.00 C ATOM 540 SG CYS A 36 10.572 1.480 3.573 1.00 0.00 S ATOM 0 H CYS A 36 10.715 -2.233 2.570 1.00 0.00 H new ATOM 0 HA CYS A 36 10.534 -1.320 4.633 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.367 0.499 3.532 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.007 0.558 5.163 1.00 0.00 H new ATOM 545 N ARG A 37 7.955 -1.678 5.809 1.00 0.00 N ATOM 546 CA ARG A 37 6.901 -2.467 6.485 1.00 0.00 C ATOM 547 C ARG A 37 5.547 -2.387 5.767 1.00 0.00 C ATOM 548 O ARG A 37 4.483 -2.520 6.387 1.00 0.00 O ATOM 549 CB ARG A 37 6.767 -2.066 7.973 1.00 0.00 C ATOM 550 CG ARG A 37 6.199 -0.667 8.215 1.00 0.00 C ATOM 551 CD ARG A 37 7.268 0.321 8.658 1.00 0.00 C ATOM 552 NE ARG A 37 8.297 0.537 7.634 1.00 0.00 N ATOM 553 CZ ARG A 37 9.371 1.329 7.800 1.00 0.00 C ATOM 554 NH1 ARG A 37 9.559 2.001 8.934 1.00 0.00 N ATOM 555 NH2 ARG A 37 10.261 1.449 6.827 1.00 0.00 N ATOM 0 H ARG A 37 8.207 -0.819 6.298 1.00 0.00 H new ATOM 0 HA ARG A 37 7.218 -3.509 6.439 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.128 -2.793 8.474 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.749 -2.129 8.441 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.729 -0.305 7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.419 -0.720 8.975 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.798 1.274 8.902 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.740 -0.045 9.570 1.00 0.00 H new ATOM 0 HE ARG A 37 8.191 0.056 6.741 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.883 1.919 9.693 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.379 2.597 9.043 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.132 0.941 5.952 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.076 2.050 6.952 1.00 0.00 H new ATOM 569 N ALA A 38 5.612 -2.189 4.445 1.00 0.00 N ATOM 570 CA ALA A 38 4.434 -2.095 3.566 1.00 0.00 C ATOM 571 C ALA A 38 3.366 -1.103 4.099 1.00 0.00 C ATOM 572 O ALA A 38 2.175 -1.240 3.803 1.00 0.00 O ATOM 573 CB ALA A 38 3.842 -3.487 3.350 1.00 0.00 C ATOM 0 H ALA A 38 6.496 -2.088 3.946 1.00 0.00 H new ATOM 0 HA ALA A 38 4.765 -1.693 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.971 -3.415 2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.589 -4.132 2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.544 -3.909 4.310 1.00 0.00 H new ATOM 579 N LYS A 39 3.825 -0.114 4.915 1.00 0.00 N ATOM 580 CA LYS A 39 2.992 0.927 5.560 1.00 0.00 C ATOM 581 C LYS A 39 1.600 0.412 5.970 1.00 0.00 C ATOM 582 O LYS A 39 0.614 1.145 5.907 1.00 0.00 O ATOM 583 CB LYS A 39 2.888 2.169 4.650 1.00 0.00 C ATOM 584 CG LYS A 39 2.450 3.464 5.346 1.00 0.00 C ATOM 585 CD LYS A 39 3.561 4.068 6.199 1.00 0.00 C ATOM 586 CE LYS A 39 3.106 5.350 6.878 1.00 0.00 C ATOM 587 NZ LYS A 39 4.183 5.949 7.713 1.00 0.00 N ATOM 0 H LYS A 39 4.814 -0.021 5.145 1.00 0.00 H new ATOM 0 HA LYS A 39 3.491 1.211 6.486 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.859 2.338 4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.183 1.952 3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.137 4.189 4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.583 3.261 5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.875 3.347 6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.430 4.274 5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.791 6.069 6.122 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.237 5.142 7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.833 6.821 8.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.467 5.273 8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.003 6.172 7.114 1.00 0.00 H new ATOM 601 N SER A 40 1.546 -0.862 6.407 1.00 0.00 N ATOM 602 CA SER A 40 0.297 -1.524 6.861 1.00 0.00 C ATOM 603 C SER A 40 -0.817 -1.588 5.776 1.00 0.00 C ATOM 604 O SER A 40 -1.291 -2.684 5.466 1.00 0.00 O ATOM 605 CB SER A 40 -0.215 -0.859 8.146 1.00 0.00 C ATOM 606 OG SER A 40 -1.327 -1.554 8.690 1.00 0.00 O ATOM 0 H SER A 40 2.367 -1.466 6.457 1.00 0.00 H new ATOM 0 HA SER A 40 0.555 -2.563 7.066 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.588 -0.824 8.882 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.498 0.172 7.934 1.00 0.00 H new ATOM 0 HG SER A 40 -1.626 -1.104 9.508 1.00 0.00 H new ATOM 612 N ASN A 41 -1.230 -0.427 5.194 1.00 0.00 N ATOM 613 CA ASN A 41 -2.270 -0.390 4.154 1.00 0.00 C ATOM 614 C ASN A 41 -1.731 -1.059 2.891 1.00 0.00 C ATOM 615 O ASN A 41 -0.656 -0.676 2.415 1.00 0.00 O ATOM 616 CB ASN A 41 -2.662 1.066 3.850 1.00 0.00 C ATOM 617 CG ASN A 41 -4.033 1.207 3.198 1.00 0.00 C ATOM 618 OD1 ASN A 41 -5.023 0.660 3.684 1.00 0.00 O ATOM 619 ND2 ASN A 41 -4.104 1.978 2.113 1.00 0.00 N ATOM 0 H ASN A 41 -0.852 0.489 5.435 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.155 -0.922 4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.650 1.638 4.778 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.911 1.506 3.195 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.002 2.132 1.655 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.260 2.414 1.741 1.00 0.00 H new ATOM 626 N ASN A 42 -2.452 -2.072 2.367 1.00 0.00 N ATOM 627 CA ASN A 42 -2.019 -2.818 1.181 1.00 0.00 C ATOM 628 C ASN A 42 -2.987 -3.979 0.977 1.00 0.00 C ATOM 629 O ASN A 42 -2.958 -4.958 1.735 1.00 0.00 O ATOM 630 CB ASN A 42 -0.554 -3.309 1.373 1.00 0.00 C ATOM 631 CG ASN A 42 -0.040 -4.247 0.285 1.00 0.00 C ATOM 632 OD1 ASN A 42 -0.581 -5.331 0.068 1.00 0.00 O ATOM 633 ND2 ASN A 42 1.020 -3.831 -0.397 1.00 0.00 N ATOM 0 H ASN A 42 -3.341 -2.389 2.754 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.031 -2.186 0.293 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.101 -2.439 1.421 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.480 -3.817 2.334 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.416 -4.417 -1.132 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.439 -2.925 -0.186 1.00 0.00 H new ATOM 640 N PHE A 43 -3.867 -3.859 -0.024 1.00 0.00 N ATOM 641 CA PHE A 43 -4.855 -4.894 -0.284 1.00 0.00 C ATOM 642 C PHE A 43 -5.078 -5.128 -1.776 1.00 0.00 C ATOM 643 O PHE A 43 -4.615 -4.343 -2.601 1.00 0.00 O ATOM 644 CB PHE A 43 -6.171 -4.585 0.440 1.00 0.00 C ATOM 645 CG PHE A 43 -6.520 -3.132 0.584 1.00 0.00 C ATOM 646 CD1 PHE A 43 -7.147 -2.453 -0.443 1.00 0.00 C ATOM 647 CD2 PHE A 43 -6.226 -2.453 1.753 1.00 0.00 C ATOM 648 CE1 PHE A 43 -7.475 -1.122 -0.308 1.00 0.00 C ATOM 649 CE2 PHE A 43 -6.551 -1.119 1.894 1.00 0.00 C ATOM 650 CZ PHE A 43 -7.177 -0.453 0.862 1.00 0.00 C ATOM 0 H PHE A 43 -3.910 -3.061 -0.658 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.456 -5.826 0.116 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.981 -5.081 -0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.127 -5.028 1.435 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.382 -2.971 -1.361 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.737 -2.972 2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.965 -0.602 -1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.316 -0.598 2.810 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.434 0.591 0.969 1.00 0.00 H new ATOM 660 N LYS A 44 -5.740 -6.251 -2.112 1.00 0.00 N ATOM 661 CA LYS A 44 -5.972 -6.642 -3.502 1.00 0.00 C ATOM 662 C LYS A 44 -7.440 -7.009 -3.831 1.00 0.00 C ATOM 663 O LYS A 44 -7.693 -7.682 -4.840 1.00 0.00 O ATOM 664 CB LYS A 44 -5.057 -7.837 -3.833 1.00 0.00 C ATOM 665 CG LYS A 44 -5.037 -8.960 -2.791 1.00 0.00 C ATOM 666 CD LYS A 44 -4.137 -10.105 -3.224 1.00 0.00 C ATOM 667 CE LYS A 44 -4.118 -11.220 -2.189 1.00 0.00 C ATOM 668 NZ LYS A 44 -3.239 -12.347 -2.603 1.00 0.00 N ATOM 0 H LYS A 44 -6.124 -6.904 -1.428 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.743 -5.770 -4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.369 -8.257 -4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.040 -7.468 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.691 -8.565 -1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.050 -9.331 -2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.483 -10.500 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.124 -9.734 -3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.774 -10.823 -1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.132 -11.589 -2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.254 -13.086 -1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.582 -12.743 -3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.266 -12.001 -2.726 1.00 0.00 H new ATOM 682 N SER A 45 -8.407 -6.584 -3.000 1.00 0.00 N ATOM 683 CA SER A 45 -9.829 -6.909 -3.248 1.00 0.00 C ATOM 684 C SER A 45 -10.776 -5.908 -2.579 1.00 0.00 C ATOM 685 O SER A 45 -10.338 -5.034 -1.827 1.00 0.00 O ATOM 686 CB SER A 45 -10.149 -8.333 -2.753 1.00 0.00 C ATOM 687 OG SER A 45 -9.382 -9.302 -3.447 1.00 0.00 O ATOM 0 H SER A 45 -8.239 -6.024 -2.164 1.00 0.00 H new ATOM 0 HA SER A 45 -9.986 -6.850 -4.325 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.947 -8.403 -1.684 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.210 -8.539 -2.891 1.00 0.00 H new ATOM 0 HG SER A 45 -8.815 -8.856 -4.111 1.00 0.00 H new ATOM 693 N ALA A 46 -12.091 -6.064 -2.854 1.00 0.00 N ATOM 694 CA ALA A 46 -13.133 -5.205 -2.286 1.00 0.00 C ATOM 695 C ALA A 46 -13.345 -5.509 -0.805 1.00 0.00 C ATOM 696 O ALA A 46 -13.437 -4.596 0.023 1.00 0.00 O ATOM 697 CB ALA A 46 -14.435 -5.360 -3.062 1.00 0.00 C ATOM 0 H ALA A 46 -12.450 -6.789 -3.475 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.804 -4.169 -2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.197 -4.715 -2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.274 -5.079 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.766 -6.397 -3.013 1.00 0.00 H new ATOM 703 N GLU A 47 -13.371 -6.809 -0.486 1.00 0.00 N ATOM 704 CA GLU A 47 -13.517 -7.297 0.882 1.00 0.00 C ATOM 705 C GLU A 47 -12.286 -6.912 1.711 1.00 0.00 C ATOM 706 O GLU A 47 -12.373 -6.658 2.914 1.00 0.00 O ATOM 707 CB GLU A 47 -13.741 -8.820 0.873 1.00 0.00 C ATOM 708 CG GLU A 47 -12.673 -9.635 0.139 1.00 0.00 C ATOM 709 CD GLU A 47 -12.949 -11.128 0.163 1.00 0.00 C ATOM 710 OE1 GLU A 47 -12.969 -11.713 1.267 1.00 0.00 O ATOM 711 OE2 GLU A 47 -13.145 -11.712 -0.923 1.00 0.00 O ATOM 0 H GLU A 47 -13.290 -7.554 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.388 -6.833 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.795 -9.169 1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.709 -9.025 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.614 -9.298 -0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.701 -9.443 0.593 1.00 0.00 H new ATOM 718 N ASP A 48 -11.158 -6.828 0.996 1.00 0.00 N ATOM 719 CA ASP A 48 -9.863 -6.431 1.525 1.00 0.00 C ATOM 720 C ASP A 48 -9.868 -4.942 1.852 1.00 0.00 C ATOM 721 O ASP A 48 -9.638 -4.513 2.981 1.00 0.00 O ATOM 722 CB ASP A 48 -8.824 -6.695 0.456 1.00 0.00 C ATOM 723 CG ASP A 48 -8.498 -8.171 0.240 1.00 0.00 C ATOM 724 OD1 ASP A 48 -9.087 -9.032 0.934 1.00 0.00 O ATOM 725 OD2 ASP A 48 -7.650 -8.463 -0.628 1.00 0.00 O ATOM 0 H ASP A 48 -11.129 -7.044 -0.001 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.643 -6.993 2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.174 -6.272 -0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.907 -6.168 0.721 1.00 0.00 H new ATOM 730 N CYS A 49 -10.176 -4.180 0.811 1.00 0.00 N ATOM 731 CA CYS A 49 -10.299 -2.725 0.840 1.00 0.00 C ATOM 732 C CYS A 49 -11.230 -2.281 1.981 1.00 0.00 C ATOM 733 O CYS A 49 -11.000 -1.262 2.650 1.00 0.00 O ATOM 734 CB CYS A 49 -10.892 -2.338 -0.507 1.00 0.00 C ATOM 735 SG CYS A 49 -10.540 -0.642 -1.083 1.00 0.00 S ATOM 0 H CYS A 49 -10.354 -4.572 -0.114 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.335 -2.245 1.013 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.525 -3.038 -1.257 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.973 -2.465 -0.455 1.00 0.00 H new ATOM 740 N MET A 50 -12.274 -3.100 2.187 1.00 0.00 N ATOM 741 CA MET A 50 -13.279 -2.886 3.217 1.00 0.00 C ATOM 742 C MET A 50 -12.759 -3.210 4.622 1.00 0.00 C ATOM 743 O MET A 50 -12.925 -2.402 5.539 1.00 0.00 O ATOM 744 CB MET A 50 -14.512 -3.719 2.903 1.00 0.00 C ATOM 745 CG MET A 50 -15.415 -3.110 1.837 1.00 0.00 C ATOM 746 SD MET A 50 -16.876 -4.116 1.480 1.00 0.00 S ATOM 747 CE MET A 50 -17.874 -3.853 2.948 1.00 0.00 C ATOM 0 H MET A 50 -12.437 -3.939 1.630 1.00 0.00 H new ATOM 0 HA MET A 50 -13.535 -1.827 3.214 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.195 -4.709 2.574 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.088 -3.856 3.818 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.734 -2.120 2.163 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.842 -2.974 0.919 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.859 -4.297 2.803 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.389 -4.319 3.806 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.981 -2.783 3.128 1.00 0.00 H new ATOM 757 N ARG A 51 -12.127 -4.389 4.792 1.00 0.00 N ATOM 758 CA ARG A 51 -11.592 -4.804 6.101 1.00 0.00 C ATOM 759 C ARG A 51 -10.527 -3.840 6.636 1.00 0.00 C ATOM 760 O ARG A 51 -10.399 -3.660 7.851 1.00 0.00 O ATOM 761 CB ARG A 51 -11.061 -6.253 6.081 1.00 0.00 C ATOM 762 CG ARG A 51 -10.150 -6.642 4.917 1.00 0.00 C ATOM 763 CD ARG A 51 -8.695 -6.217 5.130 1.00 0.00 C ATOM 764 NE ARG A 51 -7.795 -6.723 4.072 1.00 0.00 N ATOM 765 CZ ARG A 51 -7.374 -7.996 3.958 1.00 0.00 C ATOM 766 NH1 ARG A 51 -7.748 -8.927 4.835 1.00 0.00 N ATOM 767 NH2 ARG A 51 -6.572 -8.334 2.958 1.00 0.00 N ATOM 0 H ARG A 51 -11.976 -5.065 4.044 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.436 -4.769 6.790 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.517 -6.427 7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.917 -6.928 6.081 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.191 -7.722 4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.526 -6.187 4.001 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.639 -5.129 5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.352 -6.581 6.099 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.468 -6.055 3.374 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.364 -8.680 5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.418 -9.887 4.732 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.277 -7.631 2.280 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.249 -9.297 2.866 1.00 0.00 H new ATOM 781 N THR A 52 -9.779 -3.221 5.715 1.00 0.00 N ATOM 782 CA THR A 52 -8.732 -2.266 6.072 1.00 0.00 C ATOM 783 C THR A 52 -9.334 -0.897 6.443 1.00 0.00 C ATOM 784 O THR A 52 -9.058 -0.390 7.534 1.00 0.00 O ATOM 785 CB THR A 52 -7.695 -2.130 4.950 1.00 0.00 C ATOM 786 OG1 THR A 52 -7.380 -3.399 4.401 1.00 0.00 O ATOM 787 CG2 THR A 52 -6.377 -1.500 5.394 1.00 0.00 C ATOM 0 H THR A 52 -9.883 -3.368 4.711 1.00 0.00 H new ATOM 0 HA THR A 52 -8.217 -2.653 6.951 1.00 0.00 H new ATOM 0 HB THR A 52 -8.166 -1.473 4.219 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.229 -3.310 3.437 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.698 -1.439 4.543 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.565 -0.498 5.781 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.926 -2.112 6.175 1.00 0.00 H new ATOM 795 N CYS A 53 -10.154 -0.297 5.546 1.00 0.00 N ATOM 796 CA CYS A 53 -10.762 1.013 5.846 1.00 0.00 C ATOM 797 C CYS A 53 -12.188 1.174 5.300 1.00 0.00 C ATOM 798 O CYS A 53 -12.796 2.243 5.452 1.00 0.00 O ATOM 799 CB CYS A 53 -9.892 2.152 5.320 1.00 0.00 C ATOM 800 SG CYS A 53 -10.206 3.711 6.203 1.00 0.00 S ATOM 0 H CYS A 53 -10.401 -0.688 4.637 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.826 1.058 6.933 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.841 1.883 5.422 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.083 2.293 4.256 1.00 0.00 H new ATOM 805 N GLY A 54 -12.723 0.125 4.672 1.00 0.00 N ATOM 806 CA GLY A 54 -14.076 0.178 4.114 1.00 0.00 C ATOM 807 C GLY A 54 -15.174 0.127 5.169 1.00 0.00 C ATOM 808 O GLY A 54 -16.081 0.967 5.163 1.00 0.00 O ATOM 0 H GLY A 54 -12.244 -0.766 4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.185 1.094 3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.208 -0.655 3.424 1.00 0.00 H new