USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=13 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 Single : A 1 ASP N :NH3+ 179:sc= -7.77! (180deg=-7.87!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 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= -0.501 USER MOD Single : A 22 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.0038) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -2.85! (180deg=-3.26!) USER MOD Single : A 29 GLN : amide:sc= 0.0246 K(o=0.025,f=-0.7) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.02 USER MOD Single : A 39 LYS NZ :NH3+ -144:sc= 0.313 (180deg=0.000765) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -8.41! C(o=-8.4!,f=-12!) USER MOD Single : A 42 ASN : amide:sc= -0.898 X(o=-0.9,f=-0.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -11:sc= 1.07 USER MOD Single : A 50 MET CE :methyl 173:sc= 0 (180deg=-0.0507) USER MOD Single : A 52 THR OG1 : rot 136:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -3.433 7.764 3.616 1.00 0.00 N ATOM 2 CA ASP A 1 -2.352 6.777 3.848 1.00 0.00 C ATOM 3 C ASP A 1 -2.901 5.381 3.766 1.00 0.00 C ATOM 4 O ASP A 1 -2.262 4.471 3.229 1.00 0.00 O ATOM 5 CB ASP A 1 -1.718 7.032 5.225 1.00 0.00 C ATOM 6 CG ASP A 1 -0.981 8.359 5.300 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.014 8.548 4.530 1.00 0.00 O ATOM 8 OD2 ASP A 1 -1.373 9.209 6.127 1.00 0.00 O ATOM 0 H1 ASP A 1 -3.046 8.727 3.692 1.00 0.00 H new ATOM 0 H2 ASP A 1 -3.832 7.625 2.666 1.00 0.00 H new ATOM 0 H3 ASP A 1 -4.180 7.634 4.328 1.00 0.00 H new ATOM 0 HA ASP A 1 -1.586 6.886 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -2.497 7.011 5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -1.024 6.223 5.455 1.00 0.00 H new ATOM 15 N PHE A 2 -4.084 5.227 4.334 1.00 0.00 N ATOM 16 CA PHE A 2 -4.765 3.971 4.390 1.00 0.00 C ATOM 17 C PHE A 2 -6.189 4.077 3.905 1.00 0.00 C ATOM 18 O PHE A 2 -6.837 3.053 3.669 1.00 0.00 O ATOM 19 CB PHE A 2 -4.762 3.521 5.821 1.00 0.00 C ATOM 20 CG PHE A 2 -3.459 3.023 6.326 1.00 0.00 C ATOM 21 CD1 PHE A 2 -2.411 3.890 6.585 1.00 0.00 C ATOM 22 CD2 PHE A 2 -3.301 1.681 6.556 1.00 0.00 C ATOM 23 CE1 PHE A 2 -1.215 3.409 7.067 1.00 0.00 C ATOM 24 CE2 PHE A 2 -2.124 1.190 7.038 1.00 0.00 C ATOM 25 CZ PHE A 2 -1.069 2.052 7.299 1.00 0.00 C ATOM 0 H PHE A 2 -4.597 5.992 4.773 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.254 3.260 3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -5.081 4.354 6.447 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -5.504 2.731 5.938 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.533 4.948 6.408 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.118 1.005 6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.396 4.085 7.263 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -2.013 0.131 7.216 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.136 1.666 7.682 1.00 0.00 H new ATOM 35 N CYS A 3 -6.697 5.310 3.799 1.00 0.00 N ATOM 36 CA CYS A 3 -8.074 5.510 3.388 1.00 0.00 C ATOM 37 C CYS A 3 -8.280 6.715 2.469 1.00 0.00 C ATOM 38 O CYS A 3 -9.261 6.734 1.727 1.00 0.00 O ATOM 39 CB CYS A 3 -8.964 5.657 4.616 1.00 0.00 C ATOM 40 SG CYS A 3 -8.493 4.614 6.029 1.00 0.00 S ATOM 0 H CYS A 3 -6.178 6.167 3.991 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.346 4.627 2.810 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.953 6.700 4.933 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -9.990 5.421 4.334 1.00 0.00 H new ATOM 45 N LEU A 4 -7.389 7.726 2.506 1.00 0.00 N ATOM 46 CA LEU A 4 -7.555 8.912 1.650 1.00 0.00 C ATOM 47 C LEU A 4 -6.232 9.597 1.348 1.00 0.00 C ATOM 48 O LEU A 4 -5.906 9.861 0.188 1.00 0.00 O ATOM 49 CB LEU A 4 -8.527 9.930 2.276 1.00 0.00 C ATOM 50 CG LEU A 4 -8.480 10.027 3.802 1.00 0.00 C ATOM 51 CD1 LEU A 4 -8.630 11.473 4.252 1.00 0.00 C ATOM 52 CD2 LEU A 4 -9.590 9.169 4.390 1.00 0.00 C ATOM 0 H LEU A 4 -6.565 7.745 3.107 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.974 8.548 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.314 10.914 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.542 9.670 1.976 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.515 9.664 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.594 11.521 5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.819 12.070 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.585 11.865 3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.562 9.234 5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.555 9.526 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.449 8.132 4.084 1.00 0.00 H new ATOM 64 N GLU A 5 -5.493 9.886 2.416 1.00 0.00 N ATOM 65 CA GLU A 5 -4.198 10.557 2.359 1.00 0.00 C ATOM 66 C GLU A 5 -3.221 9.871 1.372 1.00 0.00 C ATOM 67 O GLU A 5 -3.418 8.702 1.036 1.00 0.00 O ATOM 68 CB GLU A 5 -3.634 10.589 3.772 1.00 0.00 C ATOM 69 CG GLU A 5 -4.160 11.740 4.618 1.00 0.00 C ATOM 70 CD GLU A 5 -3.582 11.750 6.023 1.00 0.00 C ATOM 71 OE1 GLU A 5 -3.825 10.781 6.775 1.00 0.00 O ATOM 72 OE2 GLU A 5 -2.886 12.727 6.371 1.00 0.00 O ATOM 0 H GLU A 5 -5.785 9.655 3.366 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.329 11.570 1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.870 9.648 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.547 10.657 3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.924 12.684 4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.246 11.674 4.677 1.00 0.00 H new ATOM 79 N PRO A 6 -2.181 10.602 0.856 1.00 0.00 N ATOM 80 CA PRO A 6 -1.214 10.063 -0.139 1.00 0.00 C ATOM 81 C PRO A 6 -0.515 8.733 0.251 1.00 0.00 C ATOM 82 O PRO A 6 0.427 8.728 1.053 1.00 0.00 O ATOM 83 CB PRO A 6 -0.183 11.191 -0.277 1.00 0.00 C ATOM 84 CG PRO A 6 -0.931 12.426 0.071 1.00 0.00 C ATOM 85 CD PRO A 6 -1.887 12.027 1.158 1.00 0.00 C ATOM 0 HA PRO A 6 -1.737 9.797 -1.057 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.664 11.038 0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.216 11.241 -1.290 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.255 13.210 0.412 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.464 12.819 -0.795 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.443 12.144 2.146 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.791 12.636 1.141 1.00 0.00 H new ATOM 93 N PRO A 7 -0.967 7.573 -0.338 1.00 0.00 N ATOM 94 CA PRO A 7 -0.378 6.232 -0.076 1.00 0.00 C ATOM 95 C PRO A 7 1.103 6.147 -0.466 1.00 0.00 C ATOM 96 O PRO A 7 1.542 6.817 -1.406 1.00 0.00 O ATOM 97 CB PRO A 7 -1.211 5.296 -0.964 1.00 0.00 C ATOM 98 CG PRO A 7 -2.471 6.029 -1.210 1.00 0.00 C ATOM 99 CD PRO A 7 -2.088 7.472 -1.299 1.00 0.00 C ATOM 0 HA PRO A 7 -0.407 5.983 0.985 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.694 5.073 -1.898 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.398 4.343 -0.468 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.946 5.692 -2.131 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.185 5.862 -0.403 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.782 7.748 -2.308 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.915 8.128 -1.026 1.00 0.00 H new ATOM 107 N TYR A 8 1.865 5.327 0.275 1.00 0.00 N ATOM 108 CA TYR A 8 3.300 5.145 0.037 1.00 0.00 C ATOM 109 C TYR A 8 3.576 4.143 -1.085 1.00 0.00 C ATOM 110 O TYR A 8 3.044 3.031 -1.077 1.00 0.00 O ATOM 111 CB TYR A 8 3.996 4.694 1.330 1.00 0.00 C ATOM 112 CG TYR A 8 4.163 5.792 2.369 1.00 0.00 C ATOM 113 CD1 TYR A 8 3.066 6.445 2.928 1.00 0.00 C ATOM 114 CD2 TYR A 8 5.432 6.177 2.788 1.00 0.00 C ATOM 115 CE1 TYR A 8 3.231 7.445 3.868 1.00 0.00 C ATOM 116 CE2 TYR A 8 5.603 7.175 3.729 1.00 0.00 C ATOM 117 CZ TYR A 8 4.500 7.805 4.265 1.00 0.00 C ATOM 118 OH TYR A 8 4.668 8.800 5.201 1.00 0.00 O ATOM 0 H TYR A 8 1.503 4.775 1.052 1.00 0.00 H new ATOM 0 HA TYR A 8 3.703 6.107 -0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.424 3.878 1.771 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.979 4.295 1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.069 6.165 2.621 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.299 5.687 2.371 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.369 7.942 4.289 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.596 7.460 4.043 1.00 0.00 H new ATOM 0 HH TYR A 8 5.624 8.931 5.371 1.00 0.00 H new ATOM 128 N THR A 9 4.413 4.556 -2.047 1.00 0.00 N ATOM 129 CA THR A 9 4.768 3.707 -3.193 1.00 0.00 C ATOM 130 C THR A 9 6.273 3.683 -3.460 1.00 0.00 C ATOM 131 O THR A 9 6.783 2.699 -4.006 1.00 0.00 O ATOM 132 CB THR A 9 4.036 4.167 -4.458 1.00 0.00 C ATOM 133 OG1 THR A 9 4.181 5.563 -4.650 1.00 0.00 O ATOM 134 CG2 THR A 9 2.558 3.848 -4.446 1.00 0.00 C ATOM 0 H THR A 9 4.857 5.474 -2.054 1.00 0.00 H new ATOM 0 HA THR A 9 4.457 2.695 -2.934 1.00 0.00 H new ATOM 0 HB THR A 9 4.500 3.613 -5.274 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.707 5.832 -5.464 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.102 4.201 -5.371 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.419 2.770 -4.361 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.086 4.342 -3.597 1.00 0.00 H new ATOM 142 N GLY A 10 6.979 4.761 -3.090 1.00 0.00 N ATOM 143 CA GLY A 10 8.416 4.820 -3.322 1.00 0.00 C ATOM 144 C GLY A 10 9.264 5.153 -2.086 1.00 0.00 C ATOM 145 O GLY A 10 10.233 5.904 -2.225 1.00 0.00 O ATOM 0 H GLY A 10 6.582 5.585 -2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.744 3.859 -3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.614 5.567 -4.091 1.00 0.00 H new ATOM 149 N PRO A 11 8.966 4.615 -0.854 1.00 0.00 N ATOM 150 CA PRO A 11 9.773 4.898 0.344 1.00 0.00 C ATOM 151 C PRO A 11 11.013 3.989 0.438 1.00 0.00 C ATOM 152 O PRO A 11 12.095 4.435 0.829 1.00 0.00 O ATOM 153 CB PRO A 11 8.806 4.630 1.511 1.00 0.00 C ATOM 154 CG PRO A 11 7.540 4.097 0.904 1.00 0.00 C ATOM 155 CD PRO A 11 7.863 3.697 -0.509 1.00 0.00 C ATOM 0 HA PRO A 11 10.168 5.914 0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.233 3.912 2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.612 5.544 2.072 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.170 3.243 1.471 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.756 4.854 0.921 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.168 2.653 -0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.007 3.823 -1.172 1.00 0.00 H new ATOM 163 N CYS A 12 10.828 2.718 0.049 1.00 0.00 N ATOM 164 CA CYS A 12 11.895 1.713 0.047 1.00 0.00 C ATOM 165 C CYS A 12 11.823 0.898 -1.254 1.00 0.00 C ATOM 166 O CYS A 12 10.837 0.998 -1.988 1.00 0.00 O ATOM 167 CB CYS A 12 11.755 0.774 1.254 1.00 0.00 C ATOM 168 SG CYS A 12 11.506 1.603 2.861 1.00 0.00 S ATOM 0 H CYS A 12 9.929 2.360 -0.274 1.00 0.00 H new ATOM 0 HA CYS A 12 12.858 2.220 0.113 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.915 0.103 1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.650 0.155 1.318 1.00 0.00 H new ATOM 173 N ARG A 13 12.872 0.089 -1.538 1.00 0.00 N ATOM 174 CA ARG A 13 12.953 -0.768 -2.758 1.00 0.00 C ATOM 175 C ARG A 13 12.535 -0.010 -4.040 1.00 0.00 C ATOM 176 O ARG A 13 12.679 1.215 -4.110 1.00 0.00 O ATOM 177 CB ARG A 13 12.112 -2.060 -2.595 1.00 0.00 C ATOM 178 CG ARG A 13 12.620 -3.006 -1.515 1.00 0.00 C ATOM 179 CD ARG A 13 12.105 -4.434 -1.702 1.00 0.00 C ATOM 180 NE ARG A 13 10.643 -4.571 -1.540 1.00 0.00 N ATOM 181 CZ ARG A 13 10.003 -5.748 -1.470 1.00 0.00 C ATOM 182 NH1 ARG A 13 10.670 -6.899 -1.542 1.00 0.00 N ATOM 183 NH2 ARG A 13 8.688 -5.773 -1.327 1.00 0.00 N ATOM 0 H ARG A 13 13.688 0.008 -0.932 1.00 0.00 H new ATOM 0 HA ARG A 13 14.001 -1.047 -2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.083 -1.783 -2.365 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.094 -2.590 -3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.710 -3.012 -1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.311 -2.636 -0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.384 -4.783 -2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.603 -5.086 -0.984 1.00 0.00 H new ATOM 0 HE ARG A 13 10.086 -3.719 -1.478 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.684 -6.895 -1.652 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.167 -7.784 -1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.164 -4.899 -1.270 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.198 -6.666 -1.273 1.00 0.00 H new ATOM 197 N ALA A 14 12.015 -0.746 -5.040 1.00 0.00 N ATOM 198 CA ALA A 14 11.572 -0.165 -6.302 1.00 0.00 C ATOM 199 C ALA A 14 10.129 0.365 -6.191 1.00 0.00 C ATOM 200 O ALA A 14 9.888 1.343 -5.479 1.00 0.00 O ATOM 201 CB ALA A 14 11.726 -1.188 -7.429 1.00 0.00 C ATOM 0 H ALA A 14 11.894 -1.757 -4.987 1.00 0.00 H new ATOM 0 HA ALA A 14 12.202 0.692 -6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.393 -0.747 -8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.773 -1.479 -7.516 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.122 -2.068 -7.207 1.00 0.00 H new ATOM 207 N ALA A 15 9.177 -0.284 -6.888 1.00 0.00 N ATOM 208 CA ALA A 15 7.771 0.114 -6.864 1.00 0.00 C ATOM 209 C ALA A 15 6.846 -1.082 -7.096 1.00 0.00 C ATOM 210 O ALA A 15 6.821 -1.661 -8.190 1.00 0.00 O ATOM 211 CB ALA A 15 7.492 1.210 -7.893 1.00 0.00 C ATOM 0 H ALA A 15 9.367 -1.094 -7.478 1.00 0.00 H new ATOM 0 HA ALA A 15 7.564 0.512 -5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.438 1.487 -7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.105 2.083 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.733 0.843 -8.890 1.00 0.00 H new ATOM 217 N ILE A 16 6.088 -1.443 -6.055 1.00 0.00 N ATOM 218 CA ILE A 16 5.146 -2.567 -6.116 1.00 0.00 C ATOM 219 C ILE A 16 3.722 -2.025 -5.886 1.00 0.00 C ATOM 220 O ILE A 16 3.530 -1.131 -5.053 1.00 0.00 O ATOM 221 CB ILE A 16 5.530 -3.660 -5.069 1.00 0.00 C ATOM 222 CG1 ILE A 16 7.001 -4.071 -5.247 1.00 0.00 C ATOM 223 CG2 ILE A 16 4.636 -4.898 -5.181 1.00 0.00 C ATOM 224 CD1 ILE A 16 7.742 -4.261 -3.941 1.00 0.00 C ATOM 0 H ILE A 16 6.109 -0.968 -5.152 1.00 0.00 H new ATOM 0 HA ILE A 16 5.187 -3.042 -7.096 1.00 0.00 H new ATOM 0 HB ILE A 16 5.384 -3.227 -4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.043 -4.999 -5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.513 -3.311 -5.837 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.937 -5.633 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.598 -4.613 -5.011 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.736 -5.330 -6.177 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.773 -4.550 -4.146 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.732 -3.328 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.256 -5.042 -3.357 1.00 0.00 H new ATOM 236 N ILE A 17 2.748 -2.520 -6.669 1.00 0.00 N ATOM 237 CA ILE A 17 1.362 -2.030 -6.597 1.00 0.00 C ATOM 238 C ILE A 17 0.315 -3.124 -6.327 1.00 0.00 C ATOM 239 O ILE A 17 0.502 -4.310 -6.609 1.00 0.00 O ATOM 240 CB ILE A 17 1.029 -1.288 -7.930 1.00 0.00 C ATOM 241 CG1 ILE A 17 -0.241 -0.434 -7.852 1.00 0.00 C ATOM 242 CG2 ILE A 17 0.944 -2.239 -9.130 1.00 0.00 C ATOM 243 CD1 ILE A 17 0.038 1.005 -7.506 1.00 0.00 C ATOM 0 H ILE A 17 2.895 -3.258 -7.358 1.00 0.00 H new ATOM 0 HA ILE A 17 1.306 -1.359 -5.740 1.00 0.00 H new ATOM 0 HB ILE A 17 1.871 -0.613 -8.083 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.761 -0.478 -8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.912 -0.858 -7.105 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.710 -1.670 -10.030 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.900 -2.747 -9.260 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.162 -2.977 -8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.900 1.558 -7.466 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.532 1.057 -6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.685 1.443 -8.266 1.00 0.00 H new ATOM 255 N ARG A 18 -0.807 -2.623 -5.813 1.00 0.00 N ATOM 256 CA ARG A 18 -2.028 -3.383 -5.486 1.00 0.00 C ATOM 257 C ARG A 18 -3.123 -2.370 -5.116 1.00 0.00 C ATOM 258 O ARG A 18 -3.115 -1.281 -5.665 1.00 0.00 O ATOM 259 CB ARG A 18 -1.829 -4.436 -4.373 1.00 0.00 C ATOM 260 CG ARG A 18 -2.758 -5.652 -4.470 1.00 0.00 C ATOM 261 CD ARG A 18 -2.350 -6.622 -5.581 1.00 0.00 C ATOM 262 NE ARG A 18 -1.067 -7.283 -5.308 1.00 0.00 N ATOM 263 CZ ARG A 18 -0.480 -8.177 -6.117 1.00 0.00 C ATOM 264 NH1 ARG A 18 -1.045 -8.539 -7.268 1.00 0.00 N ATOM 265 NH2 ARG A 18 0.681 -8.712 -5.769 1.00 0.00 N ATOM 0 H ARG A 18 -0.901 -1.630 -5.601 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.317 -3.966 -6.361 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.796 -4.782 -4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.980 -3.956 -3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.760 -6.179 -3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.778 -5.311 -4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.126 -7.378 -5.702 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.283 -6.081 -6.525 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.588 -7.045 -4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.939 -8.135 -7.547 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.584 -9.221 -7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.123 -8.443 -4.890 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.133 -9.393 -6.380 1.00 0.00 H new ATOM 279 N TYR A 19 -4.071 -2.717 -4.226 1.00 0.00 N ATOM 280 CA TYR A 19 -5.172 -1.801 -3.887 1.00 0.00 C ATOM 281 C TYR A 19 -5.019 -1.053 -2.561 1.00 0.00 C ATOM 282 O TYR A 19 -4.651 -1.639 -1.529 1.00 0.00 O ATOM 283 CB TYR A 19 -6.509 -2.576 -3.887 1.00 0.00 C ATOM 284 CG TYR A 19 -6.975 -3.117 -5.244 1.00 0.00 C ATOM 285 CD1 TYR A 19 -6.121 -3.206 -6.347 1.00 0.00 C ATOM 286 CD2 TYR A 19 -8.289 -3.538 -5.409 1.00 0.00 C ATOM 287 CE1 TYR A 19 -6.564 -3.693 -7.560 1.00 0.00 C ATOM 288 CE2 TYR A 19 -8.738 -4.028 -6.623 1.00 0.00 C ATOM 289 CZ TYR A 19 -7.872 -4.103 -7.693 1.00 0.00 C ATOM 290 OH TYR A 19 -8.318 -4.590 -8.901 1.00 0.00 O ATOM 0 H TYR A 19 -4.097 -3.611 -3.736 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.151 -1.031 -4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.420 -3.414 -3.196 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.286 -1.920 -3.494 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.094 -2.887 -6.248 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.972 -3.482 -4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.888 -3.752 -8.401 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.763 -4.350 -6.732 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.264 -4.836 -8.825 1.00 0.00 H new ATOM 300 N PHE A 20 -5.375 0.255 -2.621 1.00 0.00 N ATOM 301 CA PHE A 20 -5.374 1.158 -1.466 1.00 0.00 C ATOM 302 C PHE A 20 -6.803 1.716 -1.291 1.00 0.00 C ATOM 303 O PHE A 20 -7.670 1.428 -2.111 1.00 0.00 O ATOM 304 CB PHE A 20 -4.275 2.252 -1.635 1.00 0.00 C ATOM 305 CG PHE A 20 -4.619 3.602 -2.221 1.00 0.00 C ATOM 306 CD1 PHE A 20 -5.441 4.487 -1.553 1.00 0.00 C ATOM 307 CD2 PHE A 20 -4.064 3.991 -3.417 1.00 0.00 C ATOM 308 CE1 PHE A 20 -5.717 5.734 -2.077 1.00 0.00 C ATOM 309 CE2 PHE A 20 -4.331 5.236 -3.953 1.00 0.00 C ATOM 310 CZ PHE A 20 -5.163 6.109 -3.281 1.00 0.00 C ATOM 0 H PHE A 20 -5.672 0.707 -3.486 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.114 0.633 -0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.844 2.430 -0.650 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.487 1.824 -2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.875 4.200 -0.607 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.410 3.313 -3.945 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.366 6.414 -1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.890 5.526 -4.895 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.379 7.082 -3.698 1.00 0.00 H new ATOM 320 N TYR A 21 -7.059 2.489 -0.235 1.00 0.00 N ATOM 321 CA TYR A 21 -8.391 3.055 -0.015 1.00 0.00 C ATOM 322 C TYR A 21 -8.374 4.542 -0.416 1.00 0.00 C ATOM 323 O TYR A 21 -7.671 5.339 0.203 1.00 0.00 O ATOM 324 CB TYR A 21 -8.802 2.900 1.462 1.00 0.00 C ATOM 325 CG TYR A 21 -10.294 2.943 1.710 1.00 0.00 C ATOM 326 CD1 TYR A 21 -11.077 1.814 1.508 1.00 0.00 C ATOM 327 CD2 TYR A 21 -10.918 4.105 2.145 1.00 0.00 C ATOM 328 CE1 TYR A 21 -12.438 1.839 1.733 1.00 0.00 C ATOM 329 CE2 TYR A 21 -12.282 4.139 2.372 1.00 0.00 C ATOM 330 CZ TYR A 21 -13.037 3.003 2.164 1.00 0.00 C ATOM 331 OH TYR A 21 -14.393 3.028 2.393 1.00 0.00 O ATOM 0 H TYR A 21 -6.370 2.736 0.475 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.120 2.522 -0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.412 1.953 1.836 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.328 3.692 2.042 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.612 0.900 1.169 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.329 4.996 2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.031 0.951 1.572 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.754 5.050 2.710 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.622 3.827 2.912 1.00 0.00 H new ATOM 341 N ASN A 22 -9.129 4.905 -1.462 1.00 0.00 N ATOM 342 CA ASN A 22 -9.189 6.297 -1.936 1.00 0.00 C ATOM 343 C ASN A 22 -10.595 6.852 -1.674 1.00 0.00 C ATOM 344 O ASN A 22 -11.412 6.978 -2.592 1.00 0.00 O ATOM 345 CB ASN A 22 -8.801 6.384 -3.419 1.00 0.00 C ATOM 346 CG ASN A 22 -8.685 7.812 -3.934 1.00 0.00 C ATOM 347 OD1 ASN A 22 -7.886 8.602 -3.432 1.00 0.00 O ATOM 348 ND2 ASN A 22 -9.487 8.144 -4.938 1.00 0.00 N ATOM 0 H ASN A 22 -9.706 4.256 -1.996 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.469 6.906 -1.389 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.849 5.874 -3.568 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.544 5.851 -4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.456 9.087 -5.325 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.134 7.456 -5.323 1.00 0.00 H new ATOM 355 N ALA A 23 -10.870 7.120 -0.387 1.00 0.00 N ATOM 356 CA ALA A 23 -12.176 7.594 0.119 1.00 0.00 C ATOM 357 C ALA A 23 -12.661 8.933 -0.467 1.00 0.00 C ATOM 358 O ALA A 23 -13.210 9.787 0.243 1.00 0.00 O ATOM 359 CB ALA A 23 -12.114 7.663 1.639 1.00 0.00 C ATOM 0 H ALA A 23 -10.175 7.011 0.352 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.918 6.870 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.071 8.011 2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.899 6.672 2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.327 8.355 1.940 1.00 0.00 H new ATOM 365 N LYS A 24 -12.473 9.087 -1.767 1.00 0.00 N ATOM 366 CA LYS A 24 -12.890 10.279 -2.494 1.00 0.00 C ATOM 367 C LYS A 24 -13.506 9.945 -3.859 1.00 0.00 C ATOM 368 O LYS A 24 -14.553 10.492 -4.217 1.00 0.00 O ATOM 369 CB LYS A 24 -11.710 11.223 -2.683 1.00 0.00 C ATOM 370 CG LYS A 24 -11.459 12.154 -1.499 1.00 0.00 C ATOM 371 CD LYS A 24 -10.318 11.677 -0.604 1.00 0.00 C ATOM 372 CE LYS A 24 -8.950 12.025 -1.187 1.00 0.00 C ATOM 373 NZ LYS A 24 -7.847 11.751 -0.229 1.00 0.00 N ATOM 0 H LYS A 24 -12.023 8.384 -2.354 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.659 10.764 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.812 10.633 -2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.880 11.826 -3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.230 13.153 -1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.370 12.235 -0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.417 12.130 0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.390 10.598 -0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.788 11.450 -2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.933 13.078 -1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.989 12.254 -0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.122 12.078 0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.657 10.729 -0.201 1.00 0.00 H new ATOM 387 N ALA A 25 -12.836 9.067 -4.620 1.00 0.00 N ATOM 388 CA ALA A 25 -13.290 8.675 -5.960 1.00 0.00 C ATOM 389 C ALA A 25 -14.224 7.469 -5.921 1.00 0.00 C ATOM 390 O ALA A 25 -15.414 7.574 -6.235 1.00 0.00 O ATOM 391 CB ALA A 25 -12.081 8.383 -6.839 1.00 0.00 C ATOM 0 H ALA A 25 -11.971 8.613 -4.326 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.860 9.505 -6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.417 8.092 -7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.460 9.276 -6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.500 7.572 -6.400 1.00 0.00 H new ATOM 397 N GLY A 26 -13.659 6.341 -5.524 1.00 0.00 N ATOM 398 CA GLY A 26 -14.394 5.092 -5.418 1.00 0.00 C ATOM 399 C GLY A 26 -14.064 4.381 -4.127 1.00 0.00 C ATOM 400 O GLY A 26 -14.559 3.283 -3.856 1.00 0.00 O ATOM 0 H GLY A 26 -12.675 6.266 -5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.465 5.290 -5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.151 4.449 -6.264 1.00 0.00 H new ATOM 404 N LEU A 27 -13.214 5.049 -3.326 1.00 0.00 N ATOM 405 CA LEU A 27 -12.745 4.583 -2.013 1.00 0.00 C ATOM 406 C LEU A 27 -11.737 3.430 -2.098 1.00 0.00 C ATOM 407 O LEU A 27 -11.144 3.057 -1.092 1.00 0.00 O ATOM 408 CB LEU A 27 -13.912 4.301 -1.057 1.00 0.00 C ATOM 409 CG LEU A 27 -14.734 5.554 -0.701 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.938 5.693 -1.623 1.00 0.00 C ATOM 411 CD2 LEU A 27 -15.175 5.518 0.754 1.00 0.00 C ATOM 0 H LEU A 27 -12.824 5.955 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.181 5.409 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.571 3.561 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.521 3.860 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.095 6.426 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.503 6.585 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.598 5.778 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.576 4.815 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.754 6.413 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.790 4.635 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.297 5.480 1.399 1.00 0.00 H new ATOM 423 N CYS A 28 -11.503 2.912 -3.310 1.00 0.00 N ATOM 424 CA CYS A 28 -10.534 1.861 -3.539 1.00 0.00 C ATOM 425 C CYS A 28 -9.654 2.234 -4.726 1.00 0.00 C ATOM 426 O CYS A 28 -10.152 2.570 -5.804 1.00 0.00 O ATOM 427 CB CYS A 28 -11.245 0.547 -3.775 1.00 0.00 C ATOM 428 SG CYS A 28 -12.011 -0.174 -2.283 1.00 0.00 S ATOM 0 H CYS A 28 -11.987 3.218 -4.154 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.899 1.746 -2.661 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.018 0.696 -4.529 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -10.533 -0.169 -4.185 1.00 0.00 H new ATOM 433 N GLN A 29 -8.343 2.226 -4.482 1.00 0.00 N ATOM 434 CA GLN A 29 -7.346 2.616 -5.470 1.00 0.00 C ATOM 435 C GLN A 29 -6.162 1.622 -5.534 1.00 0.00 C ATOM 436 O GLN A 29 -6.372 0.415 -5.412 1.00 0.00 O ATOM 437 CB GLN A 29 -6.920 4.052 -5.145 1.00 0.00 C ATOM 438 CG GLN A 29 -7.120 5.045 -6.281 1.00 0.00 C ATOM 439 CD GLN A 29 -6.148 4.855 -7.436 1.00 0.00 C ATOM 440 OE1 GLN A 29 -4.933 4.969 -7.268 1.00 0.00 O ATOM 441 NE2 GLN A 29 -6.683 4.562 -8.616 1.00 0.00 N ATOM 0 H GLN A 29 -7.944 1.946 -3.586 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.770 2.584 -6.474 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.482 4.396 -4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.867 4.050 -4.863 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.139 4.954 -6.656 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.013 6.057 -5.890 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.695 4.477 -8.710 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.082 4.422 -9.428 1.00 0.00 H new ATOM 450 N THR A 30 -4.935 2.130 -5.776 1.00 0.00 N ATOM 451 CA THR A 30 -3.723 1.276 -5.921 1.00 0.00 C ATOM 452 C THR A 30 -2.441 1.939 -5.390 1.00 0.00 C ATOM 453 O THR A 30 -2.299 3.161 -5.487 1.00 0.00 O ATOM 454 CB THR A 30 -3.494 0.923 -7.403 1.00 0.00 C ATOM 455 OG1 THR A 30 -3.461 2.093 -8.202 1.00 0.00 O ATOM 456 CG2 THR A 30 -4.538 -0.007 -7.993 1.00 0.00 C ATOM 0 H THR A 30 -4.751 3.128 -5.876 1.00 0.00 H new ATOM 0 HA THR A 30 -3.917 0.385 -5.324 1.00 0.00 H new ATOM 0 HB THR A 30 -2.536 0.403 -7.414 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.313 1.845 -9.139 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.301 -0.204 -9.039 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.543 -0.946 -7.439 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.521 0.460 -7.925 1.00 0.00 H new ATOM 464 N PHE A 31 -1.477 1.119 -4.861 1.00 0.00 N ATOM 465 CA PHE A 31 -0.173 1.669 -4.344 1.00 0.00 C ATOM 466 C PHE A 31 0.813 0.629 -3.748 1.00 0.00 C ATOM 467 O PHE A 31 1.978 0.964 -3.521 1.00 0.00 O ATOM 468 CB PHE A 31 -0.434 2.686 -3.188 1.00 0.00 C ATOM 469 CG PHE A 31 -0.624 2.030 -1.830 1.00 0.00 C ATOM 470 CD1 PHE A 31 -1.580 1.043 -1.644 1.00 0.00 C ATOM 471 CD2 PHE A 31 0.176 2.381 -0.757 1.00 0.00 C ATOM 472 CE1 PHE A 31 -1.739 0.427 -0.428 1.00 0.00 C ATOM 473 CE2 PHE A 31 0.019 1.771 0.471 1.00 0.00 C ATOM 474 CZ PHE A 31 -0.939 0.792 0.635 1.00 0.00 C ATOM 0 H PHE A 31 -1.570 0.106 -4.781 1.00 0.00 H new ATOM 0 HA PHE A 31 0.280 2.106 -5.234 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.403 3.382 -3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.321 3.273 -3.426 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.211 0.754 -2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.933 3.142 -0.882 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.488 -0.341 -0.304 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.645 2.060 1.302 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.063 0.312 1.594 1.00 0.00 H new ATOM 484 N VAL A 32 0.285 -0.543 -3.356 1.00 0.00 N ATOM 485 CA VAL A 32 1.030 -1.585 -2.580 1.00 0.00 C ATOM 486 C VAL A 32 2.039 -0.972 -1.611 1.00 0.00 C ATOM 487 O VAL A 32 1.702 -0.713 -0.450 1.00 0.00 O ATOM 488 CB VAL A 32 1.682 -2.774 -3.383 1.00 0.00 C ATOM 489 CG1 VAL A 32 3.052 -3.207 -2.830 1.00 0.00 C ATOM 490 CG2 VAL A 32 0.788 -3.982 -3.303 1.00 0.00 C ATOM 0 H VAL A 32 -0.678 -0.809 -3.564 1.00 0.00 H new ATOM 0 HA VAL A 32 0.221 -2.065 -2.029 1.00 0.00 H new ATOM 0 HB VAL A 32 1.812 -2.410 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.443 -4.029 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.744 -2.366 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.940 -3.533 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.238 -4.805 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.663 -4.273 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.185 -3.744 -3.733 1.00 0.00 H new ATOM 500 N TYR A 33 3.285 -0.821 -2.093 1.00 0.00 N ATOM 501 CA TYR A 33 4.410 -0.339 -1.296 1.00 0.00 C ATOM 502 C TYR A 33 5.758 -0.521 -2.018 1.00 0.00 C ATOM 503 O TYR A 33 5.820 -1.077 -3.124 1.00 0.00 O ATOM 504 CB TYR A 33 4.326 -1.109 0.037 1.00 0.00 C ATOM 505 CG TYR A 33 5.372 -2.128 0.359 1.00 0.00 C ATOM 506 CD1 TYR A 33 5.415 -3.326 -0.325 1.00 0.00 C ATOM 507 CD2 TYR A 33 6.237 -1.928 1.389 1.00 0.00 C ATOM 508 CE1 TYR A 33 6.324 -4.302 0.011 1.00 0.00 C ATOM 509 CE2 TYR A 33 7.137 -2.891 1.750 1.00 0.00 C ATOM 510 CZ TYR A 33 7.187 -4.082 1.059 1.00 0.00 C ATOM 511 OH TYR A 33 8.093 -5.052 1.422 1.00 0.00 O ATOM 0 H TYR A 33 3.535 -1.035 -3.059 1.00 0.00 H new ATOM 0 HA TYR A 33 4.353 0.736 -1.126 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.326 -0.373 0.841 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.359 -1.611 0.065 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.724 -3.500 -1.137 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.212 -0.994 1.930 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.360 -5.229 -0.541 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.809 -2.718 2.577 1.00 0.00 H new ATOM 0 HH TYR A 33 8.627 -4.734 2.180 1.00 0.00 H new ATOM 521 N GLY A 34 6.826 -0.045 -1.363 1.00 0.00 N ATOM 522 CA GLY A 34 8.163 -0.150 -1.899 1.00 0.00 C ATOM 523 C GLY A 34 8.936 -1.319 -1.307 1.00 0.00 C ATOM 524 O GLY A 34 9.120 -2.338 -1.976 1.00 0.00 O ATOM 0 H GLY A 34 6.774 0.417 -0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.109 -0.265 -2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.704 0.776 -1.703 1.00 0.00 H new ATOM 528 N GLY A 35 9.381 -1.167 -0.049 1.00 0.00 N ATOM 529 CA GLY A 35 10.133 -2.225 0.629 1.00 0.00 C ATOM 530 C GLY A 35 10.297 -1.992 2.129 1.00 0.00 C ATOM 531 O GLY A 35 11.200 -2.559 2.750 1.00 0.00 O ATOM 0 H GLY A 35 9.233 -0.328 0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.627 -3.178 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.119 -2.308 0.173 1.00 0.00 H new ATOM 535 N CYS A 36 9.422 -1.151 2.700 1.00 0.00 N ATOM 536 CA CYS A 36 9.453 -0.817 4.128 1.00 0.00 C ATOM 537 C CYS A 36 8.572 -1.809 4.927 1.00 0.00 C ATOM 538 O CYS A 36 8.599 -3.009 4.638 1.00 0.00 O ATOM 539 CB CYS A 36 8.975 0.630 4.317 1.00 0.00 C ATOM 540 SG CYS A 36 9.487 1.793 2.998 1.00 0.00 S ATOM 0 H CYS A 36 8.675 -0.685 2.184 1.00 0.00 H new ATOM 0 HA CYS A 36 10.472 -0.901 4.506 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.887 0.632 4.380 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.350 0.999 5.272 1.00 0.00 H new ATOM 545 N ARG A 37 7.779 -1.316 5.914 1.00 0.00 N ATOM 546 CA ARG A 37 6.891 -2.179 6.712 1.00 0.00 C ATOM 547 C ARG A 37 5.563 -2.419 5.987 1.00 0.00 C ATOM 548 O ARG A 37 4.508 -2.618 6.604 1.00 0.00 O ATOM 549 CB ARG A 37 6.681 -1.606 8.135 1.00 0.00 C ATOM 550 CG ARG A 37 5.789 -0.365 8.215 1.00 0.00 C ATOM 551 CD ARG A 37 6.572 0.882 8.583 1.00 0.00 C ATOM 552 NE ARG A 37 7.477 1.309 7.514 1.00 0.00 N ATOM 553 CZ ARG A 37 8.258 2.402 7.579 1.00 0.00 C ATOM 554 NH1 ARG A 37 8.256 3.182 8.659 1.00 0.00 N ATOM 555 NH2 ARG A 37 9.044 2.716 6.562 1.00 0.00 N ATOM 0 H ARG A 37 7.742 -0.329 6.170 1.00 0.00 H new ATOM 0 HA ARG A 37 7.376 -3.148 6.828 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.248 -2.385 8.762 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.655 -1.361 8.558 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.296 -0.212 7.255 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.005 -0.531 8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.877 1.690 8.811 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.148 0.692 9.489 1.00 0.00 H new ATOM 0 HE ARG A 37 7.518 0.742 6.667 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.656 2.954 9.452 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.854 4.008 8.693 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.058 2.129 5.728 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.636 3.545 6.612 1.00 0.00 H new ATOM 569 N ALA A 38 5.647 -2.395 4.649 1.00 0.00 N ATOM 570 CA ALA A 38 4.505 -2.595 3.742 1.00 0.00 C ATOM 571 C ALA A 38 3.357 -1.605 4.012 1.00 0.00 C ATOM 572 O ALA A 38 2.234 -1.787 3.524 1.00 0.00 O ATOM 573 CB ALA A 38 4.023 -4.041 3.798 1.00 0.00 C ATOM 0 H ALA A 38 6.526 -2.233 4.157 1.00 0.00 H new ATOM 0 HA ALA A 38 4.854 -2.388 2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.178 -4.169 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.833 -4.706 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.713 -4.282 4.815 1.00 0.00 H new ATOM 579 N LYS A 39 3.666 -0.547 4.805 1.00 0.00 N ATOM 580 CA LYS A 39 2.728 0.515 5.200 1.00 0.00 C ATOM 581 C LYS A 39 1.362 -0.052 5.626 1.00 0.00 C ATOM 582 O LYS A 39 0.329 0.586 5.430 1.00 0.00 O ATOM 583 CB LYS A 39 2.615 1.545 4.056 1.00 0.00 C ATOM 584 CG LYS A 39 1.895 2.856 4.405 1.00 0.00 C ATOM 585 CD LYS A 39 2.707 3.732 5.354 1.00 0.00 C ATOM 586 CE LYS A 39 1.920 4.955 5.795 1.00 0.00 C ATOM 587 NZ LYS A 39 2.705 5.816 6.722 1.00 0.00 N ATOM 0 H LYS A 39 4.600 -0.413 5.193 1.00 0.00 H new ATOM 0 HA LYS A 39 3.117 1.024 6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.620 1.786 3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.093 1.077 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.691 3.410 3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.932 2.628 4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.997 3.150 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.627 4.048 4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.630 5.535 4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.000 4.637 6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.070 6.225 7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.435 5.244 7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.159 6.581 6.184 1.00 0.00 H new ATOM 601 N SER A 40 1.383 -1.270 6.217 1.00 0.00 N ATOM 602 CA SER A 40 0.169 -1.986 6.698 1.00 0.00 C ATOM 603 C SER A 40 -0.938 -2.114 5.617 1.00 0.00 C ATOM 604 O SER A 40 -1.365 -3.233 5.318 1.00 0.00 O ATOM 605 CB SER A 40 -0.372 -1.338 7.983 1.00 0.00 C ATOM 606 OG SER A 40 -1.449 -2.084 8.530 1.00 0.00 O ATOM 0 H SER A 40 2.246 -1.790 6.376 1.00 0.00 H new ATOM 0 HA SER A 40 0.480 -3.006 6.926 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.429 -1.262 8.718 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.704 -0.323 7.767 1.00 0.00 H new ATOM 0 HG SER A 40 -1.769 -1.646 9.346 1.00 0.00 H new ATOM 612 N ASN A 41 -1.373 -0.978 5.006 1.00 0.00 N ATOM 613 CA ASN A 41 -2.382 -0.983 3.938 1.00 0.00 C ATOM 614 C ASN A 41 -1.809 -1.777 2.767 1.00 0.00 C ATOM 615 O ASN A 41 -0.673 -1.517 2.356 1.00 0.00 O ATOM 616 CB ASN A 41 -2.714 0.461 3.494 1.00 0.00 C ATOM 617 CG ASN A 41 -3.808 0.560 2.424 1.00 0.00 C ATOM 618 OD1 ASN A 41 -3.834 -0.210 1.465 1.00 0.00 O ATOM 619 ND2 ASN A 41 -4.697 1.537 2.566 1.00 0.00 N ATOM 0 H ASN A 41 -1.031 -0.047 5.245 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.306 -1.438 4.295 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.025 1.034 4.368 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.806 0.928 3.112 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.429 1.666 1.868 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.647 2.158 3.373 1.00 0.00 H new ATOM 626 N ASN A 42 -2.565 -2.763 2.265 1.00 0.00 N ATOM 627 CA ASN A 42 -2.101 -3.624 1.176 1.00 0.00 C ATOM 628 C ASN A 42 -3.174 -4.678 0.911 1.00 0.00 C ATOM 629 O ASN A 42 -3.175 -5.753 1.525 1.00 0.00 O ATOM 630 CB ASN A 42 -0.730 -4.252 1.566 1.00 0.00 C ATOM 631 CG ASN A 42 -0.201 -5.309 0.602 1.00 0.00 C ATOM 632 OD1 ASN A 42 -0.853 -6.320 0.342 1.00 0.00 O ATOM 633 ND2 ASN A 42 1.000 -5.080 0.082 1.00 0.00 N ATOM 0 H ASN A 42 -3.503 -2.982 2.599 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.945 -3.059 0.257 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.008 -3.454 1.645 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.822 -4.700 2.556 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.415 -5.756 -0.559 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.507 -4.229 0.324 1.00 0.00 H new ATOM 640 N PHE A 43 -4.103 -4.348 0.010 1.00 0.00 N ATOM 641 CA PHE A 43 -5.195 -5.248 -0.317 1.00 0.00 C ATOM 642 C PHE A 43 -5.386 -5.373 -1.822 1.00 0.00 C ATOM 643 O PHE A 43 -4.798 -4.609 -2.579 1.00 0.00 O ATOM 644 CB PHE A 43 -6.489 -4.819 0.378 1.00 0.00 C ATOM 645 CG PHE A 43 -6.663 -3.347 0.592 1.00 0.00 C ATOM 646 CD1 PHE A 43 -7.219 -2.557 -0.394 1.00 0.00 C ATOM 647 CD2 PHE A 43 -6.296 -2.762 1.791 1.00 0.00 C ATOM 648 CE1 PHE A 43 -7.402 -1.209 -0.191 1.00 0.00 C ATOM 649 CE2 PHE A 43 -6.479 -1.412 2.000 1.00 0.00 C ATOM 650 CZ PHE A 43 -7.033 -0.634 1.008 1.00 0.00 C ATOM 0 H PHE A 43 -4.115 -3.465 -0.501 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.930 -6.237 0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.332 -5.183 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.539 -5.315 1.347 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.513 -3.001 -1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.862 -3.370 2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.835 -0.600 -0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.189 -0.965 2.939 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.178 0.424 1.168 1.00 0.00 H new ATOM 660 N LYS A 44 -6.160 -6.384 -2.253 1.00 0.00 N ATOM 661 CA LYS A 44 -6.358 -6.647 -3.679 1.00 0.00 C ATOM 662 C LYS A 44 -7.827 -6.910 -4.099 1.00 0.00 C ATOM 663 O LYS A 44 -8.064 -7.458 -5.184 1.00 0.00 O ATOM 664 CB LYS A 44 -5.475 -7.840 -4.084 1.00 0.00 C ATOM 665 CG LYS A 44 -5.544 -9.056 -3.157 1.00 0.00 C ATOM 666 CD LYS A 44 -4.640 -10.178 -3.640 1.00 0.00 C ATOM 667 CE LYS A 44 -4.709 -11.385 -2.719 1.00 0.00 C ATOM 668 NZ LYS A 44 -3.826 -12.490 -3.184 1.00 0.00 N ATOM 0 H LYS A 44 -6.654 -7.026 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.074 -5.735 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.758 -8.154 -5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.440 -7.502 -4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.254 -8.762 -2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.572 -9.414 -3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.930 -10.472 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.612 -9.820 -3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.420 -11.089 -1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.738 -11.741 -2.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.902 -13.294 -2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.118 -12.790 -4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.841 -12.158 -3.212 1.00 0.00 H new ATOM 682 N SER A 45 -8.810 -6.518 -3.269 1.00 0.00 N ATOM 683 CA SER A 45 -10.242 -6.729 -3.604 1.00 0.00 C ATOM 684 C SER A 45 -11.158 -5.808 -2.789 1.00 0.00 C ATOM 685 O SER A 45 -10.679 -5.007 -1.987 1.00 0.00 O ATOM 686 CB SER A 45 -10.655 -8.199 -3.382 1.00 0.00 C ATOM 687 OG SER A 45 -9.942 -9.073 -4.240 1.00 0.00 O ATOM 0 H SER A 45 -8.650 -6.059 -2.372 1.00 0.00 H new ATOM 0 HA SER A 45 -10.358 -6.483 -4.660 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.472 -8.477 -2.344 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.725 -8.308 -3.557 1.00 0.00 H new ATOM 0 HG SER A 45 -9.466 -8.550 -4.918 1.00 0.00 H new ATOM 693 N ALA A 46 -12.486 -5.933 -3.011 1.00 0.00 N ATOM 694 CA ALA A 46 -13.497 -5.127 -2.316 1.00 0.00 C ATOM 695 C ALA A 46 -13.619 -5.498 -0.838 1.00 0.00 C ATOM 696 O ALA A 46 -13.641 -4.621 0.030 1.00 0.00 O ATOM 697 CB ALA A 46 -14.845 -5.252 -3.016 1.00 0.00 C ATOM 0 H ALA A 46 -12.880 -6.597 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.169 -4.088 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.585 -4.649 -2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.755 -4.901 -4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -15.160 -6.296 -3.015 1.00 0.00 H new ATOM 703 N GLU A 47 -13.673 -6.807 -0.567 1.00 0.00 N ATOM 704 CA GLU A 47 -13.765 -7.336 0.802 1.00 0.00 C ATOM 705 C GLU A 47 -12.479 -7.016 1.575 1.00 0.00 C ATOM 706 O GLU A 47 -12.493 -6.791 2.790 1.00 0.00 O ATOM 707 CB GLU A 47 -14.016 -8.847 0.766 1.00 0.00 C ATOM 708 CG GLU A 47 -14.542 -9.451 2.074 1.00 0.00 C ATOM 709 CD GLU A 47 -15.979 -9.059 2.389 1.00 0.00 C ATOM 710 OE1 GLU A 47 -16.241 -7.850 2.567 1.00 0.00 O ATOM 711 OE2 GLU A 47 -16.839 -9.963 2.454 1.00 0.00 O ATOM 0 H GLU A 47 -13.654 -7.529 -1.287 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.602 -6.861 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.731 -9.062 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.085 -9.348 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.474 -10.537 2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.899 -9.135 2.895 1.00 0.00 H new ATOM 718 N ASP A 48 -11.385 -6.962 0.814 1.00 0.00 N ATOM 719 CA ASP A 48 -10.056 -6.637 1.303 1.00 0.00 C ATOM 720 C ASP A 48 -9.967 -5.155 1.663 1.00 0.00 C ATOM 721 O ASP A 48 -9.639 -4.768 2.781 1.00 0.00 O ATOM 722 CB ASP A 48 -9.067 -6.937 0.202 1.00 0.00 C ATOM 723 CG ASP A 48 -8.801 -8.423 0.009 1.00 0.00 C ATOM 724 OD1 ASP A 48 -8.445 -9.100 0.995 1.00 0.00 O ATOM 725 OD2 ASP A 48 -8.936 -8.908 -1.131 1.00 0.00 O ATOM 0 H ASP A 48 -11.406 -7.150 -0.188 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.840 -7.225 2.195 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.439 -6.519 -0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.126 -6.434 0.424 1.00 0.00 H new ATOM 730 N CYS A 49 -10.299 -4.349 0.667 1.00 0.00 N ATOM 731 CA CYS A 49 -10.334 -2.889 0.745 1.00 0.00 C ATOM 732 C CYS A 49 -11.220 -2.425 1.913 1.00 0.00 C ATOM 733 O CYS A 49 -10.917 -1.443 2.611 1.00 0.00 O ATOM 734 CB CYS A 49 -10.919 -2.425 -0.578 1.00 0.00 C ATOM 735 SG CYS A 49 -10.445 -0.749 -1.120 1.00 0.00 S ATOM 0 H CYS A 49 -10.562 -4.702 -0.253 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.341 -2.475 0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.622 -3.133 -1.352 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.006 -2.468 -0.507 1.00 0.00 H new ATOM 740 N MET A 50 -12.310 -3.182 2.109 1.00 0.00 N ATOM 741 CA MET A 50 -13.285 -2.933 3.163 1.00 0.00 C ATOM 742 C MET A 50 -12.765 -3.332 4.547 1.00 0.00 C ATOM 743 O MET A 50 -12.916 -2.572 5.506 1.00 0.00 O ATOM 744 CB MET A 50 -14.572 -3.676 2.848 1.00 0.00 C ATOM 745 CG MET A 50 -15.469 -2.961 1.843 1.00 0.00 C ATOM 746 SD MET A 50 -16.996 -3.861 1.482 1.00 0.00 S ATOM 747 CE MET A 50 -17.933 -3.622 2.993 1.00 0.00 C ATOM 0 H MET A 50 -12.535 -3.991 1.530 1.00 0.00 H new ATOM 0 HA MET A 50 -13.473 -1.860 3.194 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.324 -4.664 2.460 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.128 -3.827 3.773 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.720 -1.973 2.229 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.916 -2.810 0.916 1.00 0.00 H new ATOM 0 HE1 MET A 50 -18.941 -4.016 2.862 1.00 0.00 H new ATOM 0 HE2 MET A 50 -17.441 -4.146 3.813 1.00 0.00 H new ATOM 0 HE3 MET A 50 -17.987 -2.558 3.223 1.00 0.00 H new ATOM 757 N ARG A 51 -12.146 -4.525 4.637 1.00 0.00 N ATOM 758 CA ARG A 51 -11.592 -5.046 5.901 1.00 0.00 C ATOM 759 C ARG A 51 -10.589 -4.067 6.533 1.00 0.00 C ATOM 760 O ARG A 51 -10.491 -3.964 7.760 1.00 0.00 O ATOM 761 CB ARG A 51 -10.917 -6.412 5.657 1.00 0.00 C ATOM 762 CG ARG A 51 -9.576 -6.334 4.933 1.00 0.00 C ATOM 763 CD ARG A 51 -9.101 -7.673 4.421 1.00 0.00 C ATOM 764 NE ARG A 51 -7.796 -7.552 3.756 1.00 0.00 N ATOM 765 CZ ARG A 51 -6.985 -8.581 3.470 1.00 0.00 C ATOM 766 NH1 ARG A 51 -7.315 -9.830 3.797 1.00 0.00 N ATOM 767 NH2 ARG A 51 -5.835 -8.355 2.851 1.00 0.00 N ATOM 0 H ARG A 51 -12.017 -5.150 3.842 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.419 -5.167 6.600 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.769 -6.907 6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.593 -7.039 5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.661 -5.641 4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.827 -5.924 5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.027 -8.377 5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.832 -8.079 3.722 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.484 -6.617 3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.198 -10.016 4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.685 -10.600 3.571 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.572 -7.403 2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.213 -9.133 2.630 1.00 0.00 H new ATOM 781 N THR A 52 -9.838 -3.377 5.663 1.00 0.00 N ATOM 782 CA THR A 52 -8.818 -2.427 6.084 1.00 0.00 C ATOM 783 C THR A 52 -9.432 -1.071 6.482 1.00 0.00 C ATOM 784 O THR A 52 -9.201 -0.607 7.603 1.00 0.00 O ATOM 785 CB THR A 52 -7.749 -2.259 4.999 1.00 0.00 C ATOM 786 OG1 THR A 52 -7.371 -3.520 4.475 1.00 0.00 O ATOM 787 CG2 THR A 52 -6.470 -1.578 5.478 1.00 0.00 C ATOM 0 H THR A 52 -9.926 -3.467 4.651 1.00 0.00 H new ATOM 0 HA THR A 52 -8.335 -2.833 6.973 1.00 0.00 H new ATOM 0 HB THR A 52 -8.218 -1.622 4.249 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.318 -3.466 3.498 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.767 -1.499 4.649 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.706 -0.581 5.850 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.022 -2.167 6.278 1.00 0.00 H new ATOM 795 N CYS A 53 -10.205 -0.429 5.571 1.00 0.00 N ATOM 796 CA CYS A 53 -10.813 0.877 5.893 1.00 0.00 C ATOM 797 C CYS A 53 -12.226 1.061 5.320 1.00 0.00 C ATOM 798 O CYS A 53 -12.822 2.137 5.464 1.00 0.00 O ATOM 799 CB CYS A 53 -9.923 2.025 5.409 1.00 0.00 C ATOM 800 SG CYS A 53 -10.180 3.552 6.363 1.00 0.00 S ATOM 0 H CYS A 53 -10.415 -0.783 4.638 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.901 0.895 6.979 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.877 1.726 5.482 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.126 2.219 4.356 1.00 0.00 H new ATOM 805 N GLY A 54 -12.763 0.020 4.681 1.00 0.00 N ATOM 806 CA GLY A 54 -14.104 0.096 4.098 1.00 0.00 C ATOM 807 C GLY A 54 -15.219 -0.046 5.125 1.00 0.00 C ATOM 808 O GLY A 54 -16.071 0.841 5.245 1.00 0.00 O ATOM 0 H GLY A 54 -12.295 -0.878 4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.214 1.050 3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.210 -0.687 3.347 1.00 0.00 H new