USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 147:sc= 0.0598 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 75:sc= 0.706 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 76:sc= 0.528 USER MOD Single : A 18 GLN : amide:sc= -0.538 K(o=-0.54,f=-4.2!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.953 K(o=0.95,f=-3.7!) USER MOD Single : A 33 SER OG : rot 59:sc= 0.555 USER MOD Single : A 36 SER OG : rot 180:sc= 0.375 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0016 X(o=-0.0016,f=-0.07) USER MOD Single : A 52 SER OG : rot 43:sc= 1.28 USER MOD Single : A 60 THR OG1 : rot -84:sc= 1.21 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.805 USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= -0.983 (180deg=-1.21) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.679 18.312 -5.601 1.00 25.00 N ATOM 2 CA ALA A 1 9.694 17.246 -5.946 1.00 25.00 C ATOM 3 C ALA A 1 9.432 16.367 -4.734 1.00 25.00 C ATOM 4 O ALA A 1 10.310 16.208 -3.896 1.00 25.00 O ATOM 5 CB ALA A 1 10.216 16.388 -7.127 1.00 25.00 C ATOM 0 H1 ALA A 1 11.261 18.530 -6.435 1.00 25.00 H new ATOM 0 H2 ALA A 1 10.172 19.168 -5.299 1.00 25.00 H new ATOM 0 H3 ALA A 1 11.292 17.982 -4.828 1.00 25.00 H new ATOM 0 HA ALA A 1 8.760 17.719 -6.248 1.00 25.00 H new ATOM 0 HB1 ALA A 1 9.486 15.615 -7.366 1.00 25.00 H new ATOM 0 HB2 ALA A 1 10.370 17.024 -7.999 1.00 25.00 H new ATOM 0 HB3 ALA A 1 11.160 15.921 -6.848 1.00 25.00 H new ATOM 13 N TYR A 2 8.229 15.818 -4.645 1.00 25.00 N ATOM 14 CA TYR A 2 7.849 14.941 -3.540 1.00 25.00 C ATOM 15 C TYR A 2 8.611 13.612 -3.621 1.00 25.00 C ATOM 16 O TYR A 2 8.988 13.177 -4.708 1.00 25.00 O ATOM 17 CB TYR A 2 6.336 14.682 -3.616 1.00 25.00 C ATOM 18 CG TYR A 2 5.810 13.768 -2.533 1.00 25.00 C ATOM 19 CD1 TYR A 2 5.404 12.450 -2.835 1.00 25.00 C ATOM 20 CD2 TYR A 2 5.714 14.210 -1.195 1.00 25.00 C ATOM 21 CE1 TYR A 2 4.910 11.589 -1.821 1.00 25.00 C ATOM 22 CE2 TYR A 2 5.229 13.343 -0.175 1.00 25.00 C ATOM 23 CZ TYR A 2 4.833 12.041 -0.503 1.00 25.00 C ATOM 24 OH TYR A 2 4.365 11.194 0.466 1.00 25.00 O ATOM 0 H TYR A 2 7.490 15.965 -5.332 1.00 25.00 H new ATOM 0 HA TYR A 2 8.100 15.420 -2.594 1.00 25.00 H new ATOM 0 HB2 TYR A 2 5.812 15.636 -3.557 1.00 25.00 H new ATOM 0 HB3 TYR A 2 6.101 14.248 -4.588 1.00 25.00 H new ATOM 0 HD1 TYR A 2 5.470 12.092 -3.852 1.00 25.00 H new ATOM 0 HD2 TYR A 2 6.012 15.217 -0.943 1.00 25.00 H new ATOM 0 HE1 TYR A 2 4.594 10.586 -2.069 1.00 25.00 H new ATOM 0 HE2 TYR A 2 5.167 13.688 0.846 1.00 25.00 H new ATOM 0 HH TYR A 2 4.372 11.652 1.332 1.00 25.00 H new ATOM 34 N ARG A 3 8.804 12.964 -2.478 1.00 25.00 N ATOM 35 CA ARG A 3 9.402 11.632 -2.408 1.00 25.00 C ATOM 36 C ARG A 3 8.446 10.819 -1.553 1.00 25.00 C ATOM 37 O ARG A 3 7.900 11.359 -0.598 1.00 25.00 O ATOM 38 CB ARG A 3 10.768 11.671 -1.715 1.00 25.00 C ATOM 39 CG ARG A 3 11.864 12.345 -2.509 1.00 25.00 C ATOM 40 CD ARG A 3 13.147 12.383 -1.686 1.00 25.00 C ATOM 41 NE ARG A 3 14.261 13.017 -2.412 1.00 25.00 N ATOM 42 CZ ARG A 3 15.488 13.189 -1.929 1.00 25.00 C ATOM 43 NH1 ARG A 3 15.826 12.807 -0.721 1.00 25.00 N ATOM 44 NH2 ARG A 3 16.393 13.757 -2.676 1.00 25.00 N ATOM 0 H ARG A 3 8.549 13.348 -1.568 1.00 25.00 H new ATOM 0 HA ARG A 3 9.554 11.218 -3.405 1.00 25.00 H new ATOM 0 HB2 ARG A 3 10.661 12.187 -0.761 1.00 25.00 H new ATOM 0 HB3 ARG A 3 11.076 10.649 -1.492 1.00 25.00 H new ATOM 0 HG2 ARG A 3 12.035 11.806 -3.441 1.00 25.00 H new ATOM 0 HG3 ARG A 3 11.562 13.358 -2.777 1.00 25.00 H new ATOM 0 HD2 ARG A 3 12.965 12.927 -0.759 1.00 25.00 H new ATOM 0 HD3 ARG A 3 13.428 11.367 -1.410 1.00 25.00 H new ATOM 0 HE ARG A 3 14.077 13.350 -3.358 1.00 25.00 H new ATOM 0 HH11 ARG A 3 15.137 12.360 -0.116 1.00 25.00 H new ATOM 0 HH12 ARG A 3 16.778 12.956 -0.386 1.00 25.00 H new ATOM 0 HH21 ARG A 3 16.156 14.064 -3.620 1.00 25.00 H new ATOM 0 HH22 ARG A 3 17.338 13.895 -2.317 1.00 25.00 H new ATOM 58 N PRO A 4 8.273 9.515 -1.843 1.00 25.00 N ATOM 59 CA PRO A 4 7.360 8.720 -1.009 1.00 25.00 C ATOM 60 C PRO A 4 7.850 8.557 0.427 1.00 25.00 C ATOM 61 O PRO A 4 7.058 8.356 1.327 1.00 25.00 O ATOM 62 CB PRO A 4 7.305 7.376 -1.743 1.00 25.00 C ATOM 63 CG PRO A 4 8.615 7.286 -2.443 1.00 25.00 C ATOM 64 CD PRO A 4 8.869 8.695 -2.916 1.00 25.00 C ATOM 0 HA PRO A 4 6.386 9.196 -0.896 1.00 25.00 H new ATOM 0 HB2 PRO A 4 7.168 6.548 -1.047 1.00 25.00 H new ATOM 0 HB3 PRO A 4 6.474 7.341 -2.448 1.00 25.00 H new ATOM 0 HG2 PRO A 4 9.403 6.941 -1.774 1.00 25.00 H new ATOM 0 HG3 PRO A 4 8.575 6.585 -3.277 1.00 25.00 H new ATOM 0 HD2 PRO A 4 9.934 8.896 -3.034 1.00 25.00 H new ATOM 0 HD3 PRO A 4 8.399 8.888 -3.880 1.00 25.00 H new ATOM 72 N SER A 5 9.158 8.707 0.623 1.00 25.00 N ATOM 73 CA SER A 5 9.766 8.757 1.956 1.00 25.00 C ATOM 74 C SER A 5 9.330 7.638 2.910 1.00 25.00 C ATOM 75 O SER A 5 8.840 7.897 3.997 1.00 25.00 O ATOM 76 CB SER A 5 9.452 10.116 2.578 1.00 25.00 C ATOM 77 OG SER A 5 9.728 11.148 1.639 1.00 25.00 O ATOM 0 H SER A 5 9.830 8.798 -0.139 1.00 25.00 H new ATOM 0 HA SER A 5 10.836 8.608 1.814 1.00 25.00 H new ATOM 0 HB2 SER A 5 8.405 10.156 2.879 1.00 25.00 H new ATOM 0 HB3 SER A 5 10.049 10.261 3.479 1.00 25.00 H new ATOM 0 HG SER A 5 9.020 11.172 0.962 1.00 25.00 H new ATOM 83 N GLU A 6 9.557 6.393 2.507 1.00 25.00 N ATOM 84 CA GLU A 6 9.212 5.221 3.330 1.00 25.00 C ATOM 85 C GLU A 6 10.172 5.023 4.522 1.00 25.00 C ATOM 86 O GLU A 6 10.189 3.965 5.160 1.00 25.00 O ATOM 87 CB GLU A 6 9.208 3.962 2.450 1.00 25.00 C ATOM 88 CG GLU A 6 10.589 3.569 1.909 1.00 25.00 C ATOM 89 CD GLU A 6 10.528 2.403 0.965 1.00 25.00 C ATOM 90 OE1 GLU A 6 10.821 2.483 -0.195 1.00 25.00 O ATOM 91 OE2 GLU A 6 10.141 1.297 1.522 1.00 25.00 O ATOM 0 H GLU A 6 9.982 6.160 1.609 1.00 25.00 H new ATOM 0 HA GLU A 6 8.221 5.398 3.747 1.00 25.00 H new ATOM 0 HB2 GLU A 6 8.806 3.130 3.028 1.00 25.00 H new ATOM 0 HB3 GLU A 6 8.533 4.122 1.609 1.00 25.00 H new ATOM 0 HG2 GLU A 6 11.031 4.424 1.397 1.00 25.00 H new ATOM 0 HG3 GLU A 6 11.245 3.322 2.743 1.00 25.00 H new ATOM 98 N THR A 7 10.987 6.031 4.790 1.00 25.00 N ATOM 99 CA THR A 7 11.937 6.019 5.890 1.00 25.00 C ATOM 100 C THR A 7 11.838 7.354 6.613 1.00 25.00 C ATOM 101 O THR A 7 11.546 8.382 5.999 1.00 25.00 O ATOM 102 CB THR A 7 13.389 5.835 5.391 1.00 25.00 C ATOM 103 OG1 THR A 7 13.634 6.714 4.288 1.00 25.00 O ATOM 104 CG2 THR A 7 13.627 4.420 4.920 1.00 25.00 C ATOM 0 H THR A 7 11.007 6.891 4.242 1.00 25.00 H new ATOM 0 HA THR A 7 11.697 5.184 6.548 1.00 25.00 H new ATOM 0 HB THR A 7 14.057 6.058 6.223 1.00 25.00 H new ATOM 0 HG1 THR A 7 14.555 6.597 3.975 1.00 25.00 H new ATOM 0 HG21 THR A 7 14.656 4.320 4.575 1.00 25.00 H new ATOM 0 HG22 THR A 7 13.451 3.728 5.744 1.00 25.00 H new ATOM 0 HG23 THR A 7 12.946 4.190 4.101 1.00 25.00 H new ATOM 112 N LEU A 8 12.082 7.332 7.914 1.00 25.00 N ATOM 113 CA LEU A 8 12.042 8.529 8.748 1.00 25.00 C ATOM 114 C LEU A 8 13.238 8.561 9.636 1.00 25.00 C ATOM 115 O LEU A 8 13.689 7.534 10.121 1.00 25.00 O ATOM 116 CB LEU A 8 10.850 8.527 9.685 1.00 25.00 C ATOM 117 CG LEU A 8 9.477 8.498 9.062 1.00 25.00 C ATOM 118 CD1 LEU A 8 8.423 8.302 10.072 1.00 25.00 C ATOM 119 CD2 LEU A 8 9.206 9.786 8.276 1.00 25.00 C ATOM 0 H LEU A 8 12.315 6.481 8.426 1.00 25.00 H new ATOM 0 HA LEU A 8 11.995 9.378 8.066 1.00 25.00 H new ATOM 0 HB2 LEU A 8 10.940 7.662 10.342 1.00 25.00 H new ATOM 0 HB3 LEU A 8 10.915 9.414 10.315 1.00 25.00 H new ATOM 0 HG LEU A 8 9.456 7.650 8.378 1.00 25.00 H new ATOM 0 HD11 LEU A 8 7.449 8.287 9.583 1.00 25.00 H new ATOM 0 HD12 LEU A 8 8.585 7.356 10.588 1.00 25.00 H new ATOM 0 HD13 LEU A 8 8.454 9.118 10.794 1.00 25.00 H new ATOM 0 HD21 LEU A 8 8.210 9.741 7.836 1.00 25.00 H new ATOM 0 HD22 LEU A 8 9.268 10.642 8.948 1.00 25.00 H new ATOM 0 HD23 LEU A 8 9.948 9.892 7.484 1.00 25.00 H new ATOM 131 N CYS A 9 13.682 9.758 9.941 1.00 25.00 N ATOM 132 CA CYS A 9 14.804 9.926 10.851 1.00 25.00 C ATOM 133 C CYS A 9 14.704 11.236 11.616 1.00 25.00 C ATOM 134 O CYS A 9 14.063 12.187 11.162 1.00 25.00 O ATOM 135 CB CYS A 9 16.114 9.870 10.063 1.00 25.00 C ATOM 136 SG CYS A 9 17.413 8.884 10.883 1.00 25.00 S ATOM 0 H CYS A 9 13.291 10.627 9.578 1.00 25.00 H new ATOM 0 HA CYS A 9 14.782 9.115 11.579 1.00 25.00 H new ATOM 0 HB2 CYS A 9 15.918 9.450 9.076 1.00 25.00 H new ATOM 0 HB3 CYS A 9 16.481 10.885 9.910 1.00 25.00 H new ATOM 141 N GLY A 10 15.327 11.284 12.785 1.00 25.00 N ATOM 142 CA GLY A 10 15.322 12.498 13.585 1.00 25.00 C ATOM 143 C GLY A 10 13.925 13.013 13.883 1.00 25.00 C ATOM 144 O GLY A 10 13.034 12.263 14.286 1.00 25.00 O ATOM 0 H GLY A 10 15.838 10.503 13.197 1.00 25.00 H new ATOM 0 HA2 GLY A 10 15.840 12.308 14.525 1.00 25.00 H new ATOM 0 HA3 GLY A 10 15.884 13.272 13.062 1.00 25.00 H new ATOM 148 N GLY A 11 13.728 14.303 13.647 1.00 25.00 N ATOM 149 CA GLY A 11 12.441 14.931 13.900 1.00 25.00 C ATOM 150 C GLY A 11 11.309 14.432 13.019 1.00 25.00 C ATOM 151 O GLY A 11 10.157 14.526 13.407 1.00 25.00 O ATOM 0 H GLY A 11 14.442 14.933 13.281 1.00 25.00 H new ATOM 0 HA2 GLY A 11 12.171 14.768 14.943 1.00 25.00 H new ATOM 0 HA3 GLY A 11 12.544 16.007 13.762 1.00 25.00 H new ATOM 155 N GLU A 12 11.615 13.869 11.857 1.00 25.00 N ATOM 156 CA GLU A 12 10.566 13.349 10.971 1.00 25.00 C ATOM 157 C GLU A 12 9.892 12.168 11.651 1.00 25.00 C ATOM 158 O GLU A 12 8.677 11.981 11.576 1.00 25.00 O ATOM 159 CB GLU A 12 11.164 12.849 9.655 1.00 25.00 C ATOM 160 CG GLU A 12 11.940 13.879 8.860 1.00 25.00 C ATOM 161 CD GLU A 12 12.694 13.259 7.721 1.00 25.00 C ATOM 162 OE1 GLU A 12 13.369 12.270 7.840 1.00 25.00 O ATOM 163 OE2 GLU A 12 12.551 13.889 6.598 1.00 25.00 O ATOM 0 H GLU A 12 12.566 13.759 11.504 1.00 25.00 H new ATOM 0 HA GLU A 12 9.857 14.152 10.767 1.00 25.00 H new ATOM 0 HB2 GLU A 12 11.824 12.009 9.872 1.00 25.00 H new ATOM 0 HB3 GLU A 12 10.356 12.466 9.031 1.00 25.00 H new ATOM 0 HG2 GLU A 12 11.253 14.631 8.473 1.00 25.00 H new ATOM 0 HG3 GLU A 12 12.638 14.395 9.519 1.00 25.00 H new ATOM 170 N LEU A 13 10.708 11.361 12.311 1.00 25.00 N ATOM 171 CA LEU A 13 10.222 10.167 12.972 1.00 25.00 C ATOM 172 C LEU A 13 9.398 10.572 14.188 1.00 25.00 C ATOM 173 O LEU A 13 8.324 10.039 14.420 1.00 25.00 O ATOM 174 CB LEU A 13 11.406 9.277 13.359 1.00 25.00 C ATOM 175 CG LEU A 13 11.107 7.861 13.878 1.00 25.00 C ATOM 176 CD1 LEU A 13 10.016 7.130 13.085 1.00 25.00 C ATOM 177 CD2 LEU A 13 12.406 7.071 13.824 1.00 25.00 C ATOM 0 H LEU A 13 11.712 11.515 12.401 1.00 25.00 H new ATOM 0 HA LEU A 13 9.582 9.594 12.302 1.00 25.00 H new ATOM 0 HB2 LEU A 13 12.052 9.183 12.486 1.00 25.00 H new ATOM 0 HB3 LEU A 13 11.979 9.799 14.125 1.00 25.00 H new ATOM 0 HG LEU A 13 10.722 7.946 14.894 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.860 6.138 13.509 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.087 7.697 13.137 1.00 25.00 H new ATOM 0 HD13 LEU A 13 10.325 7.035 12.044 1.00 25.00 H new ATOM 0 HD21 LEU A 13 12.231 6.058 14.186 1.00 25.00 H new ATOM 0 HD22 LEU A 13 12.765 7.032 12.796 1.00 25.00 H new ATOM 0 HD23 LEU A 13 13.153 7.557 14.451 1.00 25.00 H new ATOM 189 N VAL A 14 9.878 11.575 14.914 1.00 25.00 N ATOM 190 CA VAL A 14 9.155 12.118 16.073 1.00 25.00 C ATOM 191 C VAL A 14 7.797 12.657 15.638 1.00 25.00 C ATOM 192 O VAL A 14 6.793 12.355 16.263 1.00 25.00 O ATOM 193 CB VAL A 14 9.982 13.253 16.764 1.00 25.00 C ATOM 194 CG1 VAL A 14 9.150 14.021 17.829 1.00 25.00 C ATOM 195 CG2 VAL A 14 11.236 12.653 17.421 1.00 25.00 C ATOM 0 H VAL A 14 10.768 12.035 14.724 1.00 25.00 H new ATOM 0 HA VAL A 14 9.008 11.312 16.792 1.00 25.00 H new ATOM 0 HB VAL A 14 10.267 13.968 15.992 1.00 25.00 H new ATOM 0 HG11 VAL A 14 9.766 14.798 18.281 1.00 25.00 H new ATOM 0 HG12 VAL A 14 8.282 14.477 17.353 1.00 25.00 H new ATOM 0 HG13 VAL A 14 8.818 13.327 18.601 1.00 25.00 H new ATOM 0 HG21 VAL A 14 11.810 13.446 17.901 1.00 25.00 H new ATOM 0 HG22 VAL A 14 10.939 11.917 18.168 1.00 25.00 H new ATOM 0 HG23 VAL A 14 11.850 12.171 16.660 1.00 25.00 H new ATOM 205 N ASP A 15 7.762 13.408 14.545 1.00 25.00 N ATOM 206 CA ASP A 15 6.512 13.986 14.051 1.00 25.00 C ATOM 207 C ASP A 15 5.502 12.900 13.723 1.00 25.00 C ATOM 208 O ASP A 15 4.321 13.043 13.986 1.00 25.00 O ATOM 209 CB ASP A 15 6.777 14.834 12.804 1.00 25.00 C ATOM 210 CG ASP A 15 5.611 15.713 12.438 1.00 25.00 C ATOM 211 OD1 ASP A 15 5.614 16.897 12.596 1.00 25.00 O ATOM 212 OD2 ASP A 15 4.633 15.083 11.858 1.00 25.00 O ATOM 0 H ASP A 15 8.582 13.633 13.982 1.00 25.00 H new ATOM 0 HA ASP A 15 6.100 14.618 14.838 1.00 25.00 H new ATOM 0 HB2 ASP A 15 7.656 15.456 12.973 1.00 25.00 H new ATOM 0 HB3 ASP A 15 7.008 14.177 11.966 1.00 25.00 H new ATOM 217 N THR A 16 5.961 11.807 13.141 1.00 25.00 N ATOM 218 CA THR A 16 5.061 10.712 12.803 1.00 25.00 C ATOM 219 C THR A 16 4.594 9.965 14.055 1.00 25.00 C ATOM 220 O THR A 16 3.438 9.591 14.161 1.00 25.00 O ATOM 221 CB THR A 16 5.743 9.755 11.840 1.00 25.00 C ATOM 222 OG1 THR A 16 6.230 10.504 10.722 1.00 25.00 O ATOM 223 CG2 THR A 16 4.783 8.710 11.332 1.00 25.00 C ATOM 0 H THR A 16 6.938 11.651 12.894 1.00 25.00 H new ATOM 0 HA THR A 16 4.180 11.136 12.322 1.00 25.00 H new ATOM 0 HB THR A 16 6.555 9.254 12.367 1.00 25.00 H new ATOM 0 HG1 THR A 16 7.034 10.998 10.985 1.00 25.00 H new ATOM 0 HG21 THR A 16 5.303 8.042 10.646 1.00 25.00 H new ATOM 0 HG22 THR A 16 4.393 8.136 12.172 1.00 25.00 H new ATOM 0 HG23 THR A 16 3.958 9.196 10.811 1.00 25.00 H new ATOM 231 N LEU A 17 5.475 9.789 15.027 1.00 25.00 N ATOM 232 CA LEU A 17 5.096 9.149 16.290 1.00 25.00 C ATOM 233 C LEU A 17 4.053 9.996 17.028 1.00 25.00 C ATOM 234 O LEU A 17 3.100 9.464 17.596 1.00 25.00 O ATOM 235 CB LEU A 17 6.338 8.913 17.151 1.00 25.00 C ATOM 236 CG LEU A 17 7.154 7.684 16.710 1.00 25.00 C ATOM 237 CD1 LEU A 17 8.629 7.863 16.986 1.00 25.00 C ATOM 238 CD2 LEU A 17 6.651 6.419 17.415 1.00 25.00 C ATOM 0 H LEU A 17 6.452 10.076 14.973 1.00 25.00 H new ATOM 0 HA LEU A 17 4.643 8.180 16.078 1.00 25.00 H new ATOM 0 HB2 LEU A 17 6.974 9.797 17.111 1.00 25.00 H new ATOM 0 HB3 LEU A 17 6.034 8.786 18.190 1.00 25.00 H new ATOM 0 HG LEU A 17 7.017 7.578 15.634 1.00 25.00 H new ATOM 0 HD11 LEU A 17 9.170 6.975 16.661 1.00 25.00 H new ATOM 0 HD12 LEU A 17 8.998 8.732 16.442 1.00 25.00 H new ATOM 0 HD13 LEU A 17 8.784 8.011 18.055 1.00 25.00 H new ATOM 0 HD21 LEU A 17 7.241 5.562 17.089 1.00 25.00 H new ATOM 0 HD22 LEU A 17 6.751 6.540 18.494 1.00 25.00 H new ATOM 0 HD23 LEU A 17 5.603 6.255 17.164 1.00 25.00 H new ATOM 250 N GLN A 18 4.191 11.312 16.948 1.00 25.00 N ATOM 251 CA GLN A 18 3.188 12.227 17.497 1.00 25.00 C ATOM 252 C GLN A 18 1.884 12.121 16.701 1.00 25.00 C ATOM 253 O GLN A 18 0.812 12.215 17.260 1.00 25.00 O ATOM 254 CB GLN A 18 3.699 13.673 17.445 1.00 25.00 C ATOM 255 CG GLN A 18 4.847 13.945 18.406 1.00 25.00 C ATOM 256 CD GLN A 18 5.558 15.250 18.124 1.00 25.00 C ATOM 257 OE1 GLN A 18 6.073 15.469 17.041 1.00 25.00 O ATOM 258 NE2 GLN A 18 5.639 16.091 19.107 1.00 25.00 N ATOM 0 H GLN A 18 4.987 11.775 16.509 1.00 25.00 H new ATOM 0 HA GLN A 18 3.002 11.950 18.535 1.00 25.00 H new ATOM 0 HB2 GLN A 18 4.024 13.899 16.429 1.00 25.00 H new ATOM 0 HB3 GLN A 18 2.876 14.350 17.674 1.00 25.00 H new ATOM 0 HG2 GLN A 18 4.464 13.960 19.426 1.00 25.00 H new ATOM 0 HG3 GLN A 18 5.565 13.127 18.347 1.00 25.00 H new ATOM 0 HE21 GLN A 18 5.196 15.876 20.000 1.00 25.00 H new ATOM 0 HE22 GLN A 18 6.146 16.968 18.987 1.00 25.00 H new ATOM 267 N PHE A 19 1.974 11.910 15.399 1.00 25.00 N ATOM 268 CA PHE A 19 0.779 11.802 14.563 1.00 25.00 C ATOM 269 C PHE A 19 -0.046 10.534 14.839 1.00 25.00 C ATOM 270 O PHE A 19 -1.266 10.597 14.902 1.00 25.00 O ATOM 271 CB PHE A 19 1.178 11.841 13.083 1.00 25.00 C ATOM 272 CG PHE A 19 0.007 11.863 12.142 1.00 25.00 C ATOM 273 CD1 PHE A 19 -0.466 10.670 11.562 1.00 25.00 C ATOM 274 CD2 PHE A 19 -0.633 13.077 11.830 1.00 25.00 C ATOM 275 CE1 PHE A 19 -1.571 10.685 10.674 1.00 25.00 C ATOM 276 CE2 PHE A 19 -1.740 13.106 10.944 1.00 25.00 C ATOM 277 CZ PHE A 19 -2.208 11.907 10.365 1.00 25.00 C ATOM 0 H PHE A 19 2.855 11.810 14.895 1.00 25.00 H new ATOM 0 HA PHE A 19 0.145 12.652 14.814 1.00 25.00 H new ATOM 0 HB2 PHE A 19 1.793 12.723 12.905 1.00 25.00 H new ATOM 0 HB3 PHE A 19 1.796 10.971 12.859 1.00 25.00 H new ATOM 0 HD1 PHE A 19 0.018 9.734 11.796 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -0.277 13.997 12.270 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -1.925 9.764 10.235 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -2.224 14.044 10.713 1.00 25.00 H new ATOM 0 HZ PHE A 19 -3.050 11.924 9.688 1.00 25.00 H new ATOM 287 N VAL A 20 0.604 9.381 14.973 1.00 25.00 N ATOM 288 CA VAL A 20 -0.137 8.115 15.129 1.00 25.00 C ATOM 289 C VAL A 20 -0.774 7.947 16.512 1.00 25.00 C ATOM 290 O VAL A 20 -1.717 7.177 16.669 1.00 25.00 O ATOM 291 CB VAL A 20 0.752 6.858 14.829 1.00 25.00 C ATOM 292 CG1 VAL A 20 1.350 6.955 13.448 1.00 25.00 C ATOM 293 CG2 VAL A 20 1.860 6.693 15.852 1.00 25.00 C ATOM 0 H VAL A 20 1.620 9.288 14.978 1.00 25.00 H new ATOM 0 HA VAL A 20 -0.935 8.180 14.389 1.00 25.00 H new ATOM 0 HB VAL A 20 0.105 5.983 14.887 1.00 25.00 H new ATOM 0 HG11 VAL A 20 1.964 6.075 13.255 1.00 25.00 H new ATOM 0 HG12 VAL A 20 0.551 7.009 12.709 1.00 25.00 H new ATOM 0 HG13 VAL A 20 1.968 7.851 13.381 1.00 25.00 H new ATOM 0 HG21 VAL A 20 2.452 5.811 15.608 1.00 25.00 H new ATOM 0 HG22 VAL A 20 2.500 7.575 15.840 1.00 25.00 H new ATOM 0 HG23 VAL A 20 1.424 6.574 16.844 1.00 25.00 H new ATOM 303 N CYS A 21 -0.224 8.626 17.512 1.00 25.00 N ATOM 304 CA CYS A 21 -0.679 8.444 18.907 1.00 25.00 C ATOM 305 C CYS A 21 -0.944 9.701 19.742 1.00 25.00 C ATOM 306 O CYS A 21 -1.471 9.599 20.849 1.00 25.00 O ATOM 307 CB CYS A 21 0.339 7.579 19.648 1.00 25.00 C ATOM 308 SG CYS A 21 0.193 5.828 19.170 1.00 25.00 S ATOM 0 H CYS A 21 0.530 9.303 17.397 1.00 25.00 H new ATOM 0 HA CYS A 21 -1.660 7.982 18.801 1.00 25.00 H new ATOM 0 HB2 CYS A 21 1.347 7.934 19.432 1.00 25.00 H new ATOM 0 HB3 CYS A 21 0.190 7.678 20.723 1.00 25.00 H new ATOM 313 N GLY A 22 -0.594 10.870 19.238 1.00 25.00 N ATOM 314 CA GLY A 22 -0.794 12.105 19.982 1.00 25.00 C ATOM 315 C GLY A 22 0.352 12.443 20.921 1.00 25.00 C ATOM 316 O GLY A 22 1.254 11.639 21.168 1.00 25.00 O ATOM 0 H GLY A 22 -0.170 10.993 18.318 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -0.929 12.926 19.278 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -1.715 12.026 20.560 1.00 25.00 H new ATOM 320 N ASP A 23 0.297 13.647 21.474 1.00 25.00 N ATOM 321 CA ASP A 23 1.341 14.173 22.369 1.00 25.00 C ATOM 322 C ASP A 23 1.396 13.492 23.737 1.00 25.00 C ATOM 323 O ASP A 23 2.253 13.801 24.562 1.00 25.00 O ATOM 324 CB ASP A 23 1.154 15.677 22.549 1.00 25.00 C ATOM 325 CG ASP A 23 1.545 16.451 21.311 1.00 25.00 C ATOM 326 OD1 ASP A 23 0.664 17.100 20.719 1.00 25.00 O ATOM 327 OD2 ASP A 23 2.730 16.367 20.903 1.00 25.00 O ATOM 0 H ASP A 23 -0.474 14.297 21.319 1.00 25.00 H new ATOM 0 HA ASP A 23 2.293 13.954 21.885 1.00 25.00 H new ATOM 0 HB2 ASP A 23 0.112 15.886 22.792 1.00 25.00 H new ATOM 0 HB3 ASP A 23 1.753 16.018 23.393 1.00 25.00 H new ATOM 332 N ARG A 24 0.501 12.537 23.966 1.00 25.00 N ATOM 333 CA ARG A 24 0.503 11.740 25.204 1.00 25.00 C ATOM 334 C ARG A 24 1.817 10.972 25.375 1.00 25.00 C ATOM 335 O ARG A 24 2.155 10.556 26.481 1.00 25.00 O ATOM 336 CB ARG A 24 -0.662 10.748 25.209 1.00 25.00 C ATOM 337 CG ARG A 24 -0.774 9.938 23.924 1.00 25.00 C ATOM 338 CD ARG A 24 -1.548 8.657 24.132 1.00 25.00 C ATOM 339 NE ARG A 24 -2.926 8.900 24.591 1.00 25.00 N ATOM 340 CZ ARG A 24 -3.803 7.945 24.880 1.00 25.00 C ATOM 341 NH1 ARG A 24 -3.504 6.682 24.751 1.00 25.00 N ATOM 342 NH2 ARG A 24 -4.992 8.268 25.305 1.00 25.00 N ATOM 0 H ARG A 24 -0.241 12.289 23.312 1.00 25.00 H new ATOM 0 HA ARG A 24 0.394 12.437 26.035 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -0.544 10.065 26.051 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -1.592 11.293 25.368 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -1.265 10.538 23.158 1.00 25.00 H new ATOM 0 HG3 ARG A 24 0.224 9.703 23.554 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -1.573 8.096 23.198 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -1.029 8.037 24.863 1.00 25.00 H new ATOM 0 HE ARG A 24 -3.228 9.869 24.694 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -2.578 6.408 24.421 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -4.196 5.968 24.980 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -5.245 9.250 25.414 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -5.669 7.539 25.528 1.00 25.00 H new ATOM 356 N GLY A 25 2.569 10.826 24.294 1.00 25.00 N ATOM 357 CA GLY A 25 3.900 10.256 24.374 1.00 25.00 C ATOM 358 C GLY A 25 4.061 8.874 23.786 1.00 25.00 C ATOM 359 O GLY A 25 3.103 8.151 23.501 1.00 25.00 O ATOM 0 H GLY A 25 2.278 11.095 23.354 1.00 25.00 H new ATOM 0 HA2 GLY A 25 4.593 10.928 23.868 1.00 25.00 H new ATOM 0 HA3 GLY A 25 4.197 10.221 25.422 1.00 25.00 H new ATOM 363 N PHE A 26 5.320 8.520 23.592 1.00 25.00 N ATOM 364 CA PHE A 26 5.713 7.261 22.989 1.00 25.00 C ATOM 365 C PHE A 26 7.139 6.998 23.427 1.00 25.00 C ATOM 366 O PHE A 26 7.797 7.873 23.997 1.00 25.00 O ATOM 367 CB PHE A 26 5.638 7.363 21.462 1.00 25.00 C ATOM 368 CG PHE A 26 6.264 8.605 20.924 1.00 25.00 C ATOM 369 CD1 PHE A 26 5.472 9.741 20.679 1.00 25.00 C ATOM 370 CD2 PHE A 26 7.648 8.662 20.667 1.00 25.00 C ATOM 371 CE1 PHE A 26 6.052 10.929 20.201 1.00 25.00 C ATOM 372 CE2 PHE A 26 8.241 9.849 20.181 1.00 25.00 C ATOM 373 CZ PHE A 26 7.441 10.985 19.953 1.00 25.00 C ATOM 0 H PHE A 26 6.110 9.110 23.854 1.00 25.00 H new ATOM 0 HA PHE A 26 5.052 6.452 23.299 1.00 25.00 H new ATOM 0 HB2 PHE A 26 6.130 6.496 21.022 1.00 25.00 H new ATOM 0 HB3 PHE A 26 4.593 7.327 21.153 1.00 25.00 H new ATOM 0 HD1 PHE A 26 4.408 9.700 20.860 1.00 25.00 H new ATOM 0 HD2 PHE A 26 8.261 7.791 20.843 1.00 25.00 H new ATOM 0 HE1 PHE A 26 5.436 11.798 20.024 1.00 25.00 H new ATOM 0 HE2 PHE A 26 9.303 9.885 19.985 1.00 25.00 H new ATOM 0 HZ PHE A 26 7.889 11.898 19.589 1.00 25.00 H new ATOM 383 N TYR A 27 7.620 5.806 23.143 1.00 25.00 N ATOM 384 CA TYR A 27 8.981 5.416 23.445 1.00 25.00 C ATOM 385 C TYR A 27 9.741 5.379 22.135 1.00 25.00 C ATOM 386 O TYR A 27 9.146 5.227 21.086 1.00 25.00 O ATOM 387 CB TYR A 27 8.987 4.019 24.054 1.00 25.00 C ATOM 388 CG TYR A 27 8.318 3.902 25.408 1.00 25.00 C ATOM 389 CD1 TYR A 27 6.944 3.566 25.527 1.00 25.00 C ATOM 390 CD2 TYR A 27 9.063 4.092 26.590 1.00 25.00 C ATOM 391 CE1 TYR A 27 6.348 3.407 26.810 1.00 25.00 C ATOM 392 CE2 TYR A 27 8.461 3.942 27.865 1.00 25.00 C ATOM 393 CZ TYR A 27 7.112 3.594 27.960 1.00 25.00 C ATOM 394 OH TYR A 27 6.540 3.439 29.194 1.00 25.00 O ATOM 0 H TYR A 27 7.072 5.074 22.692 1.00 25.00 H new ATOM 0 HA TYR A 27 9.434 6.116 24.147 1.00 25.00 H new ATOM 0 HB2 TYR A 27 8.493 3.337 23.362 1.00 25.00 H new ATOM 0 HB3 TYR A 27 10.020 3.685 24.147 1.00 25.00 H new ATOM 0 HD1 TYR A 27 6.346 3.430 24.638 1.00 25.00 H new ATOM 0 HD2 TYR A 27 10.108 4.356 26.523 1.00 25.00 H new ATOM 0 HE1 TYR A 27 5.304 3.142 26.892 1.00 25.00 H new ATOM 0 HE2 TYR A 27 9.044 4.097 28.761 1.00 25.00 H new ATOM 0 HH TYR A 27 7.211 3.604 29.889 1.00 25.00 H new ATOM 404 N PHE A 28 11.063 5.452 22.190 1.00 25.00 N ATOM 405 CA PHE A 28 11.859 5.288 20.978 1.00 25.00 C ATOM 406 C PHE A 28 12.455 3.895 20.981 1.00 25.00 C ATOM 407 O PHE A 28 12.654 3.297 19.946 1.00 25.00 O ATOM 408 CB PHE A 28 12.961 6.341 20.898 1.00 25.00 C ATOM 409 CG PHE A 28 12.871 7.203 19.667 1.00 25.00 C ATOM 410 CD1 PHE A 28 11.826 8.137 19.528 1.00 25.00 C ATOM 411 CD2 PHE A 28 13.814 7.074 18.629 1.00 25.00 C ATOM 412 CE1 PHE A 28 11.722 8.942 18.366 1.00 25.00 C ATOM 413 CE2 PHE A 28 13.720 7.882 17.462 1.00 25.00 C ATOM 414 CZ PHE A 28 12.671 8.814 17.335 1.00 25.00 C ATOM 0 H PHE A 28 11.600 5.620 23.041 1.00 25.00 H new ATOM 0 HA PHE A 28 11.221 5.419 20.104 1.00 25.00 H new ATOM 0 HB2 PHE A 28 12.912 6.976 21.782 1.00 25.00 H new ATOM 0 HB3 PHE A 28 13.931 5.844 20.915 1.00 25.00 H new ATOM 0 HD1 PHE A 28 11.095 8.241 20.316 1.00 25.00 H new ATOM 0 HD2 PHE A 28 14.615 6.356 18.720 1.00 25.00 H new ATOM 0 HE1 PHE A 28 10.915 9.653 18.272 1.00 25.00 H new ATOM 0 HE2 PHE A 28 14.452 7.781 16.674 1.00 25.00 H new ATOM 0 HZ PHE A 28 12.596 9.428 16.450 1.00 25.00 H new ATOM 424 N ASN A 29 12.735 3.382 22.171 1.00 25.00 N ATOM 425 CA ASN A 29 13.374 2.075 22.324 1.00 25.00 C ATOM 426 C ASN A 29 12.843 1.297 23.503 1.00 25.00 C ATOM 427 O ASN A 29 13.463 0.352 23.965 1.00 25.00 O ATOM 428 CB ASN A 29 14.889 2.271 22.452 1.00 25.00 C ATOM 429 CG ASN A 29 15.264 3.650 22.952 1.00 25.00 C ATOM 430 OD1 ASN A 29 14.864 4.067 24.033 1.00 25.00 O ATOM 431 ND2 ASN A 29 16.006 4.370 22.163 1.00 25.00 N ATOM 0 H ASN A 29 12.529 3.852 23.052 1.00 25.00 H new ATOM 0 HA ASN A 29 13.141 1.485 21.437 1.00 25.00 H new ATOM 0 HB2 ASN A 29 15.291 1.521 23.133 1.00 25.00 H new ATOM 0 HB3 ASN A 29 15.355 2.103 21.481 1.00 25.00 H new ATOM 0 HD21 ASN A 29 16.274 5.315 22.437 1.00 25.00 H new ATOM 0 HD22 ASN A 29 16.320 3.989 21.270 1.00 25.00 H new ATOM 438 N ARG A 30 11.664 1.698 23.955 1.00 25.00 N ATOM 439 CA ARG A 30 10.949 1.019 25.045 1.00 25.00 C ATOM 440 C ARG A 30 11.829 0.543 26.211 1.00 25.00 C ATOM 441 O ARG A 30 11.786 -0.620 26.589 1.00 25.00 O ATOM 442 CB ARG A 30 10.241 -0.180 24.443 1.00 25.00 C ATOM 443 CG ARG A 30 9.584 0.136 23.132 1.00 25.00 C ATOM 444 CD ARG A 30 8.477 -0.846 22.825 1.00 25.00 C ATOM 445 NE ARG A 30 8.992 -2.220 22.678 1.00 25.00 N ATOM 446 CZ ARG A 30 9.281 -2.818 21.526 1.00 25.00 C ATOM 447 NH1 ARG A 30 9.115 -2.234 20.365 1.00 25.00 N ATOM 448 NH2 ARG A 30 9.746 -4.036 21.547 1.00 25.00 N ATOM 0 H ARG A 30 11.168 2.506 23.580 1.00 25.00 H new ATOM 0 HA ARG A 30 10.269 1.751 25.480 1.00 25.00 H new ATOM 0 HB2 ARG A 30 10.959 -0.987 24.300 1.00 25.00 H new ATOM 0 HB3 ARG A 30 9.489 -0.543 25.144 1.00 25.00 H new ATOM 0 HG2 ARG A 30 9.179 1.148 23.160 1.00 25.00 H new ATOM 0 HG3 ARG A 30 10.327 0.112 22.335 1.00 25.00 H new ATOM 0 HD2 ARG A 30 7.735 -0.819 23.623 1.00 25.00 H new ATOM 0 HD3 ARG A 30 7.970 -0.547 21.908 1.00 25.00 H new ATOM 0 HE ARG A 30 9.139 -2.757 23.532 1.00 25.00 H new ATOM 0 HH11 ARG A 30 8.751 -1.282 20.320 1.00 25.00 H new ATOM 0 HH12 ARG A 30 9.350 -2.731 19.506 1.00 25.00 H new ATOM 0 HH21 ARG A 30 9.883 -4.514 22.437 1.00 25.00 H new ATOM 0 HH22 ARG A 30 9.973 -4.510 20.673 1.00 25.00 H new ATOM 462 N PRO A 31 12.693 1.426 26.739 1.00 25.00 N ATOM 463 CA PRO A 31 13.717 0.857 27.617 1.00 25.00 C ATOM 464 C PRO A 31 13.272 0.599 29.044 1.00 25.00 C ATOM 465 O PRO A 31 13.773 -0.286 29.722 1.00 25.00 O ATOM 466 CB PRO A 31 14.795 1.936 27.599 1.00 25.00 C ATOM 467 CG PRO A 31 14.051 3.222 27.416 1.00 25.00 C ATOM 468 CD PRO A 31 12.911 2.864 26.490 1.00 25.00 C ATOM 0 HA PRO A 31 14.022 -0.129 27.266 1.00 25.00 H new ATOM 0 HB2 PRO A 31 15.366 1.939 28.527 1.00 25.00 H new ATOM 0 HB3 PRO A 31 15.505 1.772 26.788 1.00 25.00 H new ATOM 0 HG2 PRO A 31 13.685 3.609 28.367 1.00 25.00 H new ATOM 0 HG3 PRO A 31 14.689 3.993 26.983 1.00 25.00 H new ATOM 0 HD2 PRO A 31 12.018 3.448 26.711 1.00 25.00 H new ATOM 0 HD3 PRO A 31 13.167 3.055 25.448 1.00 25.00 H new ATOM 476 N ALA A 32 12.398 1.484 29.499 1.00 25.00 N ATOM 477 CA ALA A 32 11.867 1.522 30.873 1.00 25.00 C ATOM 478 C ALA A 32 12.947 1.540 31.963 1.00 25.00 C ATOM 479 O ALA A 32 12.700 1.249 33.120 1.00 25.00 O ATOM 480 CB ALA A 32 10.879 0.360 31.092 1.00 25.00 C ATOM 0 H ALA A 32 12.020 2.225 28.909 1.00 25.00 H new ATOM 0 HA ALA A 32 11.343 2.473 30.972 1.00 25.00 H new ATOM 0 HB1 ALA A 32 10.493 0.398 32.111 1.00 25.00 H new ATOM 0 HB2 ALA A 32 10.052 0.448 30.387 1.00 25.00 H new ATOM 0 HB3 ALA A 32 11.392 -0.589 30.933 1.00 25.00 H new ATOM 486 N SER A 33 14.140 1.932 31.557 1.00 25.00 N ATOM 487 CA SER A 33 15.318 1.929 32.431 1.00 25.00 C ATOM 488 C SER A 33 15.673 3.297 32.961 1.00 25.00 C ATOM 489 O SER A 33 16.675 3.512 33.622 1.00 25.00 O ATOM 490 CB SER A 33 16.501 1.376 31.666 1.00 25.00 C ATOM 491 OG SER A 33 16.277 0.034 31.267 1.00 25.00 O ATOM 0 H SER A 33 14.329 2.264 30.611 1.00 25.00 H new ATOM 0 HA SER A 33 15.073 1.306 33.291 1.00 25.00 H new ATOM 0 HB2 SER A 33 16.688 1.992 30.787 1.00 25.00 H new ATOM 0 HB3 SER A 33 17.395 1.428 32.288 1.00 25.00 H new ATOM 0 HG SER A 33 15.473 -0.011 30.708 1.00 25.00 H new ATOM 497 N ARG A 34 14.799 4.214 32.607 1.00 25.00 N ATOM 498 CA ARG A 34 14.846 5.629 32.993 1.00 25.00 C ATOM 499 C ARG A 34 16.153 6.294 32.574 1.00 25.00 C ATOM 500 O ARG A 34 16.574 7.289 33.142 1.00 25.00 O ATOM 501 CB ARG A 34 14.615 5.742 34.509 1.00 25.00 C ATOM 502 CG ARG A 34 13.642 6.839 34.900 1.00 25.00 C ATOM 503 CD ARG A 34 14.349 8.182 35.060 1.00 25.00 C ATOM 504 NE ARG A 34 13.478 9.225 35.624 1.00 25.00 N ATOM 505 CZ ARG A 34 13.862 10.471 35.887 1.00 25.00 C ATOM 506 NH1 ARG A 34 15.082 10.890 35.650 1.00 25.00 N ATOM 507 NH2 ARG A 34 13.003 11.309 36.399 1.00 25.00 N ATOM 0 H ARG A 34 13.997 3.996 32.016 1.00 25.00 H new ATOM 0 HA ARG A 34 14.054 6.163 32.467 1.00 25.00 H new ATOM 0 HB2 ARG A 34 14.242 4.788 34.882 1.00 25.00 H new ATOM 0 HB3 ARG A 34 15.571 5.925 35.000 1.00 25.00 H new ATOM 0 HG2 ARG A 34 12.864 6.924 34.141 1.00 25.00 H new ATOM 0 HG3 ARG A 34 13.148 6.573 35.835 1.00 25.00 H new ATOM 0 HD2 ARG A 34 15.219 8.054 35.705 1.00 25.00 H new ATOM 0 HD3 ARG A 34 14.718 8.510 34.088 1.00 25.00 H new ATOM 0 HE ARG A 34 12.510 8.975 35.828 1.00 25.00 H new ATOM 0 HH11 ARG A 34 15.772 10.253 35.251 1.00 25.00 H new ATOM 0 HH12 ARG A 34 15.341 11.853 35.864 1.00 25.00 H new ATOM 0 HH21 ARG A 34 12.049 11.006 36.593 1.00 25.00 H new ATOM 0 HH22 ARG A 34 13.286 12.267 36.605 1.00 25.00 H new ATOM 521 N VAL A 35 16.778 5.736 31.552 1.00 25.00 N ATOM 522 CA VAL A 35 18.085 6.209 31.123 1.00 25.00 C ATOM 523 C VAL A 35 18.051 7.629 30.560 1.00 25.00 C ATOM 524 O VAL A 35 18.878 8.461 30.900 1.00 25.00 O ATOM 525 CB VAL A 35 18.742 5.246 30.083 1.00 25.00 C ATOM 526 CG1 VAL A 35 19.221 3.982 30.783 1.00 25.00 C ATOM 527 CG2 VAL A 35 17.757 4.872 28.937 1.00 25.00 C ATOM 0 H VAL A 35 16.405 4.959 31.006 1.00 25.00 H new ATOM 0 HA VAL A 35 18.696 6.224 32.026 1.00 25.00 H new ATOM 0 HB VAL A 35 19.589 5.767 29.636 1.00 25.00 H new ATOM 0 HG11 VAL A 35 19.678 3.313 30.054 1.00 25.00 H new ATOM 0 HG12 VAL A 35 19.955 4.244 31.545 1.00 25.00 H new ATOM 0 HG13 VAL A 35 18.373 3.482 31.252 1.00 25.00 H new ATOM 0 HG21 VAL A 35 18.253 4.201 28.235 1.00 25.00 H new ATOM 0 HG22 VAL A 35 16.882 4.376 29.357 1.00 25.00 H new ATOM 0 HG23 VAL A 35 17.445 5.777 28.415 1.00 25.00 H new ATOM 537 N SER A 36 17.079 7.906 29.704 1.00 25.00 N ATOM 538 CA SER A 36 16.929 9.222 29.106 1.00 25.00 C ATOM 539 C SER A 36 15.546 9.322 28.504 1.00 25.00 C ATOM 540 O SER A 36 15.004 8.325 28.035 1.00 25.00 O ATOM 541 CB SER A 36 17.970 9.438 28.002 1.00 25.00 C ATOM 542 OG SER A 36 17.770 10.683 27.343 1.00 25.00 O ATOM 0 H SER A 36 16.377 7.229 29.406 1.00 25.00 H new ATOM 0 HA SER A 36 17.073 9.981 29.875 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.971 9.408 28.432 1.00 25.00 H new ATOM 0 HB3 SER A 36 17.909 8.626 27.277 1.00 25.00 H new ATOM 0 HG SER A 36 18.448 10.796 26.645 1.00 25.00 H new ATOM 548 N ARG A 37 14.990 10.526 28.479 1.00 25.00 N ATOM 549 CA ARG A 37 13.691 10.760 27.839 1.00 25.00 C ATOM 550 C ARG A 37 13.871 11.198 26.387 1.00 25.00 C ATOM 551 O ARG A 37 12.902 11.450 25.691 1.00 25.00 O ATOM 552 CB ARG A 37 12.867 11.798 28.620 1.00 25.00 C ATOM 553 CG ARG A 37 13.485 13.199 28.718 1.00 25.00 C ATOM 554 CD ARG A 37 12.517 14.144 29.434 1.00 25.00 C ATOM 555 NE ARG A 37 13.099 15.479 29.675 1.00 25.00 N ATOM 556 CZ ARG A 37 12.444 16.518 30.191 1.00 25.00 C ATOM 557 NH1 ARG A 37 11.177 16.454 30.522 1.00 25.00 N ATOM 558 NH2 ARG A 37 13.077 17.643 30.377 1.00 25.00 N ATOM 0 H ARG A 37 15.413 11.357 28.892 1.00 25.00 H new ATOM 0 HA ARG A 37 13.142 9.818 27.847 1.00 25.00 H new ATOM 0 HB2 ARG A 37 11.887 11.885 28.151 1.00 25.00 H new ATOM 0 HB3 ARG A 37 12.704 11.421 29.630 1.00 25.00 H new ATOM 0 HG2 ARG A 37 14.430 13.153 29.260 1.00 25.00 H new ATOM 0 HG3 ARG A 37 13.708 13.579 27.721 1.00 25.00 H new ATOM 0 HD2 ARG A 37 11.611 14.249 28.838 1.00 25.00 H new ATOM 0 HD3 ARG A 37 12.223 13.703 30.386 1.00 25.00 H new ATOM 0 HE ARG A 37 14.079 15.617 29.427 1.00 25.00 H new ATOM 0 HH11 ARG A 37 10.658 15.586 30.387 1.00 25.00 H new ATOM 0 HH12 ARG A 37 10.711 17.272 30.915 1.00 25.00 H new ATOM 0 HH21 ARG A 37 14.063 17.721 30.128 1.00 25.00 H new ATOM 0 HH22 ARG A 37 12.586 18.445 30.771 1.00 25.00 H new ATOM 572 N ARG A 38 15.120 11.305 25.942 1.00 25.00 N ATOM 573 CA ARG A 38 15.418 11.714 24.562 1.00 25.00 C ATOM 574 C ARG A 38 16.736 11.135 24.042 1.00 25.00 C ATOM 575 O ARG A 38 17.630 11.866 23.643 1.00 25.00 O ATOM 576 CB ARG A 38 15.410 13.248 24.435 1.00 25.00 C ATOM 577 CG ARG A 38 16.267 14.008 25.459 1.00 25.00 C ATOM 578 CD ARG A 38 16.575 15.436 24.980 1.00 25.00 C ATOM 579 NE ARG A 38 15.358 16.242 24.740 1.00 25.00 N ATOM 580 CZ ARG A 38 14.883 16.595 23.546 1.00 25.00 C ATOM 581 NH1 ARG A 38 15.462 16.246 22.423 1.00 25.00 N ATOM 582 NH2 ARG A 38 13.800 17.319 23.483 1.00 25.00 N ATOM 0 H ARG A 38 15.945 11.116 26.512 1.00 25.00 H new ATOM 0 HA ARG A 38 14.627 11.302 23.936 1.00 25.00 H new ATOM 0 HB2 ARG A 38 15.753 13.513 23.435 1.00 25.00 H new ATOM 0 HB3 ARG A 38 14.381 13.596 24.522 1.00 25.00 H new ATOM 0 HG2 ARG A 38 15.745 14.048 26.415 1.00 25.00 H new ATOM 0 HG3 ARG A 38 17.200 13.469 25.627 1.00 25.00 H new ATOM 0 HD2 ARG A 38 17.195 15.937 25.724 1.00 25.00 H new ATOM 0 HD3 ARG A 38 17.158 15.387 24.060 1.00 25.00 H new ATOM 0 HE ARG A 38 14.837 16.555 25.559 1.00 25.00 H new ATOM 0 HH11 ARG A 38 16.311 15.682 22.441 1.00 25.00 H new ATOM 0 HH12 ARG A 38 15.063 16.539 21.531 1.00 25.00 H new ATOM 0 HH21 ARG A 38 13.329 17.607 24.340 1.00 25.00 H new ATOM 0 HH22 ARG A 38 13.424 17.597 22.576 1.00 25.00 H new ATOM 596 N SER A 39 16.829 9.814 24.019 1.00 25.00 N ATOM 597 CA SER A 39 17.999 9.128 23.444 1.00 25.00 C ATOM 598 C SER A 39 17.568 8.282 22.240 1.00 25.00 C ATOM 599 O SER A 39 17.263 7.094 22.382 1.00 25.00 O ATOM 600 CB SER A 39 18.684 8.238 24.481 1.00 25.00 C ATOM 601 OG SER A 39 19.848 7.646 23.928 1.00 25.00 O ATOM 0 H SER A 39 16.114 9.187 24.389 1.00 25.00 H new ATOM 0 HA SER A 39 18.712 9.887 23.122 1.00 25.00 H new ATOM 0 HB2 SER A 39 18.949 8.828 25.358 1.00 25.00 H new ATOM 0 HB3 SER A 39 17.996 7.461 24.815 1.00 25.00 H new ATOM 0 HG SER A 39 20.279 7.080 24.602 1.00 25.00 H new ATOM 607 N PRO A 40 17.477 8.894 21.043 1.00 25.00 N ATOM 608 CA PRO A 40 17.016 8.159 19.861 1.00 25.00 C ATOM 609 C PRO A 40 18.117 7.358 19.161 1.00 25.00 C ATOM 610 O PRO A 40 18.273 7.417 17.952 1.00 25.00 O ATOM 611 CB PRO A 40 16.500 9.288 18.969 1.00 25.00 C ATOM 612 CG PRO A 40 17.457 10.385 19.222 1.00 25.00 C ATOM 613 CD PRO A 40 17.753 10.308 20.705 1.00 25.00 C ATOM 0 HA PRO A 40 16.277 7.398 20.110 1.00 25.00 H new ATOM 0 HB2 PRO A 40 16.489 8.998 17.918 1.00 25.00 H new ATOM 0 HB3 PRO A 40 15.481 9.574 19.231 1.00 25.00 H new ATOM 0 HG2 PRO A 40 18.365 10.262 18.631 1.00 25.00 H new ATOM 0 HG3 PRO A 40 17.030 11.351 18.954 1.00 25.00 H new ATOM 0 HD2 PRO A 40 18.787 10.577 20.922 1.00 25.00 H new ATOM 0 HD3 PRO A 40 17.120 10.987 21.276 1.00 25.00 H new ATOM 621 N GLN A 41 18.901 6.636 19.943 1.00 25.00 N ATOM 622 CA GLN A 41 20.025 5.873 19.397 1.00 25.00 C ATOM 623 C GLN A 41 19.554 4.593 18.699 1.00 25.00 C ATOM 624 O GLN A 41 19.962 4.301 17.584 1.00 25.00 O ATOM 625 CB GLN A 41 21.008 5.510 20.516 1.00 25.00 C ATOM 626 CG GLN A 41 22.330 4.932 20.005 1.00 25.00 C ATOM 627 CD GLN A 41 23.225 4.471 21.132 1.00 25.00 C ATOM 628 OE1 GLN A 41 22.820 3.673 21.966 1.00 25.00 O ATOM 629 NE2 GLN A 41 24.435 4.964 21.166 1.00 25.00 N ATOM 0 H GLN A 41 18.786 6.558 20.954 1.00 25.00 H new ATOM 0 HA GLN A 41 20.521 6.502 18.658 1.00 25.00 H new ATOM 0 HB2 GLN A 41 21.215 6.401 21.109 1.00 25.00 H new ATOM 0 HB3 GLN A 41 20.537 4.786 21.181 1.00 25.00 H new ATOM 0 HG2 GLN A 41 22.125 4.093 19.340 1.00 25.00 H new ATOM 0 HG3 GLN A 41 22.851 5.686 19.415 1.00 25.00 H new ATOM 0 HE21 GLN A 41 24.736 5.627 20.452 1.00 25.00 H new ATOM 0 HE22 GLN A 41 25.079 4.685 21.907 1.00 25.00 H new ATOM 638 N ARG A 42 18.725 3.817 19.389 1.00 25.00 N ATOM 639 CA ARG A 42 18.232 2.535 18.883 1.00 25.00 C ATOM 640 C ARG A 42 16.713 2.439 18.969 1.00 25.00 C ATOM 641 O ARG A 42 16.067 3.372 19.447 1.00 25.00 O ATOM 642 CB ARG A 42 18.874 1.421 19.696 1.00 25.00 C ATOM 643 CG ARG A 42 20.349 1.284 19.418 1.00 25.00 C ATOM 644 CD ARG A 42 20.842 0.033 20.050 1.00 25.00 C ATOM 645 NE ARG A 42 22.205 -0.311 19.608 1.00 25.00 N ATOM 646 CZ ARG A 42 23.333 0.033 20.220 1.00 25.00 C ATOM 647 NH1 ARG A 42 23.355 0.749 21.317 1.00 25.00 N ATOM 648 NH2 ARG A 42 24.470 -0.356 19.714 1.00 25.00 N ATOM 0 H ARG A 42 18.374 4.057 20.316 1.00 25.00 H new ATOM 0 HA ARG A 42 18.499 2.444 17.830 1.00 25.00 H new ATOM 0 HB2 ARG A 42 18.724 1.617 20.758 1.00 25.00 H new ATOM 0 HB3 ARG A 42 18.376 0.478 19.472 1.00 25.00 H new ATOM 0 HG2 ARG A 42 20.530 1.260 18.343 1.00 25.00 H new ATOM 0 HG3 ARG A 42 20.889 2.144 19.813 1.00 25.00 H new ATOM 0 HD2 ARG A 42 20.831 0.146 21.134 1.00 25.00 H new ATOM 0 HD3 ARG A 42 20.165 -0.786 19.808 1.00 25.00 H new ATOM 0 HE ARG A 42 22.290 -0.863 18.755 1.00 25.00 H new ATOM 0 HH11 ARG A 42 22.481 1.067 21.736 1.00 25.00 H new ATOM 0 HH12 ARG A 42 24.246 0.989 21.752 1.00 25.00 H new ATOM 0 HH21 ARG A 42 24.484 -0.915 18.861 1.00 25.00 H new ATOM 0 HH22 ARG A 42 25.346 -0.101 20.171 1.00 25.00 H new ATOM 662 N GLY A 43 16.150 1.315 18.539 1.00 25.00 N ATOM 663 CA GLY A 43 14.719 1.092 18.613 1.00 25.00 C ATOM 664 C GLY A 43 14.026 1.384 17.302 1.00 25.00 C ATOM 665 O GLY A 43 14.395 0.872 16.258 1.00 25.00 O ATOM 0 H GLY A 43 16.673 0.540 18.132 1.00 25.00 H new ATOM 0 HA2 GLY A 43 14.529 0.058 18.900 1.00 25.00 H new ATOM 0 HA3 GLY A 43 14.295 1.723 19.394 1.00 25.00 H new ATOM 669 N ILE A 44 13.024 2.239 17.357 1.00 25.00 N ATOM 670 CA ILE A 44 12.232 2.610 16.180 1.00 25.00 C ATOM 671 C ILE A 44 13.112 3.220 15.084 1.00 25.00 C ATOM 672 O ILE A 44 12.855 3.044 13.908 1.00 25.00 O ATOM 673 CB ILE A 44 11.085 3.602 16.583 1.00 25.00 C ATOM 674 CG1 ILE A 44 10.168 3.922 15.394 1.00 25.00 C ATOM 675 CG2 ILE A 44 11.653 4.921 17.117 1.00 25.00 C ATOM 676 CD1 ILE A 44 9.162 2.847 15.060 1.00 25.00 C ATOM 0 H ILE A 44 12.728 2.702 18.216 1.00 25.00 H new ATOM 0 HA ILE A 44 11.784 1.701 15.778 1.00 25.00 H new ATOM 0 HB ILE A 44 10.509 3.103 17.362 1.00 25.00 H new ATOM 0 HG12 ILE A 44 9.632 4.847 15.606 1.00 25.00 H new ATOM 0 HG13 ILE A 44 10.787 4.106 14.516 1.00 25.00 H new ATOM 0 HG21 ILE A 44 10.834 5.587 17.388 1.00 25.00 H new ATOM 0 HG22 ILE A 44 12.266 4.724 17.997 1.00 25.00 H new ATOM 0 HG23 ILE A 44 12.264 5.392 16.347 1.00 25.00 H new ATOM 0 HD11 ILE A 44 8.561 3.164 14.208 1.00 25.00 H new ATOM 0 HD12 ILE A 44 9.685 1.923 14.812 1.00 25.00 H new ATOM 0 HD13 ILE A 44 8.513 2.677 15.919 1.00 25.00 H new ATOM 688 N VAL A 45 14.184 3.893 15.463 1.00 25.00 N ATOM 689 CA VAL A 45 15.088 4.496 14.487 1.00 25.00 C ATOM 690 C VAL A 45 15.787 3.403 13.668 1.00 25.00 C ATOM 691 O VAL A 45 16.032 3.570 12.482 1.00 25.00 O ATOM 692 CB VAL A 45 16.092 5.459 15.197 1.00 25.00 C ATOM 693 CG1 VAL A 45 16.863 4.742 16.283 1.00 25.00 C ATOM 694 CG2 VAL A 45 17.037 6.128 14.200 1.00 25.00 C ATOM 0 H VAL A 45 14.453 4.038 16.436 1.00 25.00 H new ATOM 0 HA VAL A 45 14.516 5.103 13.785 1.00 25.00 H new ATOM 0 HB VAL A 45 15.505 6.248 15.667 1.00 25.00 H new ATOM 0 HG11 VAL A 45 17.554 5.438 16.759 1.00 25.00 H new ATOM 0 HG12 VAL A 45 16.168 4.355 17.028 1.00 25.00 H new ATOM 0 HG13 VAL A 45 17.424 3.916 15.846 1.00 25.00 H new ATOM 0 HG21 VAL A 45 17.719 6.790 14.733 1.00 25.00 H new ATOM 0 HG22 VAL A 45 17.609 5.365 13.673 1.00 25.00 H new ATOM 0 HG23 VAL A 45 16.457 6.707 13.482 1.00 25.00 H new ATOM 704 N GLU A 46 16.022 2.246 14.265 1.00 25.00 N ATOM 705 CA GLU A 46 16.644 1.134 13.550 1.00 25.00 C ATOM 706 C GLU A 46 15.638 0.535 12.578 1.00 25.00 C ATOM 707 O GLU A 46 16.004 0.015 11.531 1.00 25.00 O ATOM 708 CB GLU A 46 17.142 0.079 14.541 1.00 25.00 C ATOM 709 CG GLU A 46 18.058 0.664 15.614 1.00 25.00 C ATOM 710 CD GLU A 46 18.533 -0.376 16.615 1.00 25.00 C ATOM 711 OE1 GLU A 46 17.697 -0.794 17.447 1.00 25.00 O ATOM 712 OE2 GLU A 46 19.747 -0.660 16.680 1.00 25.00 O ATOM 0 H GLU A 46 15.794 2.049 15.239 1.00 25.00 H new ATOM 0 HA GLU A 46 17.504 1.497 12.988 1.00 25.00 H new ATOM 0 HB2 GLU A 46 16.286 -0.397 15.020 1.00 25.00 H new ATOM 0 HB3 GLU A 46 17.677 -0.700 13.998 1.00 25.00 H new ATOM 0 HG2 GLU A 46 18.923 1.123 15.136 1.00 25.00 H new ATOM 0 HG3 GLU A 46 17.529 1.456 16.144 1.00 25.00 H new ATOM 719 N GLU A 47 14.359 0.659 12.907 1.00 25.00 N ATOM 720 CA GLU A 47 13.302 0.130 12.050 1.00 25.00 C ATOM 721 C GLU A 47 12.889 1.093 10.937 1.00 25.00 C ATOM 722 O GLU A 47 12.460 0.656 9.886 1.00 25.00 O ATOM 723 CB GLU A 47 12.062 -0.202 12.889 1.00 25.00 C ATOM 724 CG GLU A 47 12.316 -1.208 14.011 1.00 25.00 C ATOM 725 CD GLU A 47 12.910 -2.498 13.515 1.00 25.00 C ATOM 726 OE1 GLU A 47 13.869 -3.011 14.009 1.00 25.00 O ATOM 727 OE2 GLU A 47 12.270 -3.020 12.513 1.00 25.00 O ATOM 0 H GLU A 47 14.028 1.118 13.756 1.00 25.00 H new ATOM 0 HA GLU A 47 13.711 -0.765 11.582 1.00 25.00 H new ATOM 0 HB2 GLU A 47 11.674 0.719 13.323 1.00 25.00 H new ATOM 0 HB3 GLU A 47 11.287 -0.596 12.231 1.00 25.00 H new ATOM 0 HG2 GLU A 47 12.987 -0.764 14.746 1.00 25.00 H new ATOM 0 HG3 GLU A 47 11.377 -1.419 14.523 1.00 25.00 H new ATOM 734 N CYS A 48 12.958 2.393 11.198 1.00 25.00 N ATOM 735 CA CYS A 48 12.454 3.395 10.254 1.00 25.00 C ATOM 736 C CYS A 48 13.512 4.243 9.554 1.00 25.00 C ATOM 737 O CYS A 48 13.210 4.859 8.549 1.00 25.00 O ATOM 738 CB CYS A 48 11.496 4.338 10.979 1.00 25.00 C ATOM 739 SG CYS A 48 10.015 3.514 11.645 1.00 25.00 S ATOM 0 H CYS A 48 13.356 2.782 12.053 1.00 25.00 H new ATOM 0 HA CYS A 48 11.967 2.814 9.471 1.00 25.00 H new ATOM 0 HB2 CYS A 48 12.029 4.823 11.797 1.00 25.00 H new ATOM 0 HB3 CYS A 48 11.184 5.124 10.291 1.00 25.00 H new ATOM 744 N CYS A 49 14.730 4.300 10.076 1.00 25.00 N ATOM 745 CA CYS A 49 15.797 5.087 9.432 1.00 25.00 C ATOM 746 C CYS A 49 16.816 4.160 8.781 1.00 25.00 C ATOM 747 O CYS A 49 17.194 4.343 7.631 1.00 25.00 O ATOM 748 CB CYS A 49 16.488 6.002 10.452 1.00 25.00 C ATOM 749 SG CYS A 49 17.598 7.239 9.700 1.00 25.00 S ATOM 0 H CYS A 49 15.011 3.821 10.932 1.00 25.00 H new ATOM 0 HA CYS A 49 15.345 5.711 8.661 1.00 25.00 H new ATOM 0 HB2 CYS A 49 15.727 6.519 11.037 1.00 25.00 H new ATOM 0 HB3 CYS A 49 17.061 5.388 11.147 1.00 25.00 H new ATOM 754 N PHE A 50 17.240 3.141 9.518 1.00 25.00 N ATOM 755 CA PHE A 50 18.199 2.165 8.994 1.00 25.00 C ATOM 756 C PHE A 50 17.478 1.101 8.159 1.00 25.00 C ATOM 757 O PHE A 50 18.100 0.370 7.385 1.00 25.00 O ATOM 758 CB PHE A 50 18.961 1.502 10.147 1.00 25.00 C ATOM 759 CG PHE A 50 19.852 2.451 10.912 1.00 25.00 C ATOM 760 CD1 PHE A 50 21.200 2.618 10.545 1.00 25.00 C ATOM 761 CD2 PHE A 50 19.355 3.174 12.012 1.00 25.00 C ATOM 762 CE1 PHE A 50 22.043 3.502 11.272 1.00 25.00 C ATOM 763 CE2 PHE A 50 20.182 4.044 12.749 1.00 25.00 C ATOM 764 CZ PHE A 50 21.527 4.211 12.380 1.00 25.00 C ATOM 0 H PHE A 50 16.939 2.966 10.477 1.00 25.00 H new ATOM 0 HA PHE A 50 18.910 2.687 8.354 1.00 25.00 H new ATOM 0 HB2 PHE A 50 18.243 1.056 10.836 1.00 25.00 H new ATOM 0 HB3 PHE A 50 19.568 0.689 9.749 1.00 25.00 H new ATOM 0 HD1 PHE A 50 21.598 2.070 9.704 1.00 25.00 H new ATOM 0 HD2 PHE A 50 18.319 3.060 12.297 1.00 25.00 H new ATOM 0 HE1 PHE A 50 23.074 3.631 10.978 1.00 25.00 H new ATOM 0 HE2 PHE A 50 19.783 4.582 13.596 1.00 25.00 H new ATOM 0 HZ PHE A 50 22.164 4.879 12.941 1.00 25.00 H new ATOM 774 N ARG A 51 16.162 1.037 8.315 1.00 25.00 N ATOM 775 CA ARG A 51 15.295 0.135 7.549 1.00 25.00 C ATOM 776 C ARG A 51 14.057 0.949 7.227 1.00 25.00 C ATOM 777 O ARG A 51 13.987 2.107 7.594 1.00 25.00 O ATOM 778 CB ARG A 51 14.916 -1.116 8.363 1.00 25.00 C ATOM 779 CG ARG A 51 16.087 -2.025 8.706 1.00 25.00 C ATOM 780 CD ARG A 51 16.710 -2.648 7.457 1.00 25.00 C ATOM 781 NE ARG A 51 17.863 -3.499 7.795 1.00 25.00 N ATOM 782 CZ ARG A 51 18.719 -4.008 6.917 1.00 25.00 C ATOM 783 NH1 ARG A 51 18.606 -3.801 5.627 1.00 25.00 N ATOM 784 NH2 ARG A 51 19.710 -4.741 7.345 1.00 25.00 N ATOM 0 H ARG A 51 15.655 1.616 8.985 1.00 25.00 H new ATOM 0 HA ARG A 51 15.799 -0.228 6.653 1.00 25.00 H new ATOM 0 HB2 ARG A 51 14.435 -0.800 9.289 1.00 25.00 H new ATOM 0 HB3 ARG A 51 14.179 -1.690 7.801 1.00 25.00 H new ATOM 0 HG2 ARG A 51 16.844 -1.454 9.243 1.00 25.00 H new ATOM 0 HG3 ARG A 51 15.749 -2.816 9.376 1.00 25.00 H new ATOM 0 HD2 ARG A 51 15.961 -3.241 6.933 1.00 25.00 H new ATOM 0 HD3 ARG A 51 17.027 -1.859 6.775 1.00 25.00 H new ATOM 0 HE ARG A 51 18.016 -3.714 8.780 1.00 25.00 H new ATOM 0 HH11 ARG A 51 17.840 -3.232 5.267 1.00 25.00 H new ATOM 0 HH12 ARG A 51 19.284 -4.209 4.984 1.00 25.00 H new ATOM 0 HH21 ARG A 51 19.820 -4.917 8.344 1.00 25.00 H new ATOM 0 HH22 ARG A 51 20.375 -5.138 6.681 1.00 25.00 H new ATOM 798 N SER A 52 13.098 0.340 6.553 1.00 25.00 N ATOM 799 CA SER A 52 11.839 1.006 6.207 1.00 25.00 C ATOM 800 C SER A 52 10.752 0.464 7.130 1.00 25.00 C ATOM 801 O SER A 52 10.829 -0.690 7.554 1.00 25.00 O ATOM 802 CB SER A 52 11.490 0.724 4.743 1.00 25.00 C ATOM 803 OG SER A 52 10.286 1.362 4.354 1.00 25.00 O ATOM 0 H SER A 52 13.162 -0.625 6.228 1.00 25.00 H new ATOM 0 HA SER A 52 11.928 2.085 6.332 1.00 25.00 H new ATOM 0 HB2 SER A 52 12.304 1.065 4.104 1.00 25.00 H new ATOM 0 HB3 SER A 52 11.396 -0.352 4.593 1.00 25.00 H new ATOM 0 HG SER A 52 10.272 2.277 4.706 1.00 25.00 H new ATOM 809 N CYS A 53 9.758 1.287 7.447 1.00 25.00 N ATOM 810 CA CYS A 53 8.685 0.883 8.350 1.00 25.00 C ATOM 811 C CYS A 53 7.352 1.489 7.928 1.00 25.00 C ATOM 812 O CYS A 53 7.308 2.453 7.170 1.00 25.00 O ATOM 813 CB CYS A 53 9.012 1.339 9.774 1.00 25.00 C ATOM 814 SG CYS A 53 8.883 3.142 10.006 1.00 25.00 S ATOM 0 H CYS A 53 9.673 2.239 7.092 1.00 25.00 H new ATOM 0 HA CYS A 53 8.602 -0.203 8.311 1.00 25.00 H new ATOM 0 HB2 CYS A 53 8.337 0.842 10.471 1.00 25.00 H new ATOM 0 HB3 CYS A 53 10.023 1.019 10.027 1.00 25.00 H new ATOM 819 N ASP A 54 6.277 0.924 8.457 1.00 25.00 N ATOM 820 CA ASP A 54 4.918 1.402 8.201 1.00 25.00 C ATOM 821 C ASP A 54 4.411 2.128 9.436 1.00 25.00 C ATOM 822 O ASP A 54 4.940 1.928 10.529 1.00 25.00 O ATOM 823 CB ASP A 54 3.993 0.214 7.934 1.00 25.00 C ATOM 824 CG ASP A 54 4.352 -0.522 6.669 1.00 25.00 C ATOM 825 OD1 ASP A 54 4.280 0.087 5.586 1.00 25.00 O ATOM 826 OD2 ASP A 54 4.715 -1.711 6.764 1.00 25.00 O ATOM 0 H ASP A 54 6.318 0.117 9.079 1.00 25.00 H new ATOM 0 HA ASP A 54 4.928 2.067 7.337 1.00 25.00 H new ATOM 0 HB2 ASP A 54 4.039 -0.475 8.777 1.00 25.00 H new ATOM 0 HB3 ASP A 54 2.964 0.567 7.866 1.00 25.00 H new ATOM 831 N LEU A 55 3.329 2.887 9.291 1.00 25.00 N ATOM 832 CA LEU A 55 2.693 3.564 10.434 1.00 25.00 C ATOM 833 C LEU A 55 2.246 2.551 11.475 1.00 25.00 C ATOM 834 O LEU A 55 2.195 2.832 12.665 1.00 25.00 O ATOM 835 CB LEU A 55 1.487 4.396 9.952 1.00 25.00 C ATOM 836 CG LEU A 55 0.028 3.987 10.265 1.00 25.00 C ATOM 837 CD1 LEU A 55 -0.862 5.226 10.220 1.00 25.00 C ATOM 838 CD2 LEU A 55 -0.496 2.960 9.245 1.00 25.00 C ATOM 0 H LEU A 55 2.869 3.053 8.396 1.00 25.00 H new ATOM 0 HA LEU A 55 3.424 4.230 10.892 1.00 25.00 H new ATOM 0 HB2 LEU A 55 1.622 5.403 10.347 1.00 25.00 H new ATOM 0 HB3 LEU A 55 1.567 4.466 8.867 1.00 25.00 H new ATOM 0 HG LEU A 55 0.006 3.534 11.256 1.00 25.00 H new ATOM 0 HD11 LEU A 55 -1.891 4.943 10.440 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.518 5.948 10.961 1.00 25.00 H new ATOM 0 HD13 LEU A 55 -0.813 5.673 9.227 1.00 25.00 H new ATOM 0 HD21 LEU A 55 -1.523 2.693 9.493 1.00 25.00 H new ATOM 0 HD22 LEU A 55 -0.464 3.392 8.245 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.128 2.067 9.275 1.00 25.00 H new ATOM 850 N ALA A 56 1.925 1.363 11.001 1.00 25.00 N ATOM 851 CA ALA A 56 1.428 0.303 11.846 1.00 25.00 C ATOM 852 C ALA A 56 2.556 -0.243 12.730 1.00 25.00 C ATOM 853 O ALA A 56 2.375 -0.451 13.923 1.00 25.00 O ATOM 854 CB ALA A 56 0.845 -0.770 10.953 1.00 25.00 C ATOM 0 H ALA A 56 2.003 1.108 10.016 1.00 25.00 H new ATOM 0 HA ALA A 56 0.652 0.673 12.516 1.00 25.00 H new ATOM 0 HB1 ALA A 56 0.461 -1.585 11.567 1.00 25.00 H new ATOM 0 HB2 ALA A 56 0.033 -0.349 10.360 1.00 25.00 H new ATOM 0 HB3 ALA A 56 1.620 -1.151 10.288 1.00 25.00 H new ATOM 860 N LEU A 57 3.733 -0.413 12.139 1.00 25.00 N ATOM 861 CA LEU A 57 4.917 -0.853 12.876 1.00 25.00 C ATOM 862 C LEU A 57 5.295 0.238 13.871 1.00 25.00 C ATOM 863 O LEU A 57 5.609 -0.017 15.028 1.00 25.00 O ATOM 864 CB LEU A 57 6.064 -1.102 11.878 1.00 25.00 C ATOM 865 CG LEU A 57 7.346 -1.775 12.396 1.00 25.00 C ATOM 866 CD1 LEU A 57 8.102 -2.374 11.206 1.00 25.00 C ATOM 867 CD2 LEU A 57 8.286 -0.826 13.154 1.00 25.00 C ATOM 0 H LEU A 57 3.896 -0.252 11.145 1.00 25.00 H new ATOM 0 HA LEU A 57 4.719 -1.779 13.416 1.00 25.00 H new ATOM 0 HB2 LEU A 57 5.672 -1.714 11.066 1.00 25.00 H new ATOM 0 HB3 LEU A 57 6.344 -0.141 11.446 1.00 25.00 H new ATOM 0 HG LEU A 57 7.034 -2.538 13.108 1.00 25.00 H new ATOM 0 HD11 LEU A 57 9.014 -2.855 11.559 1.00 25.00 H new ATOM 0 HD12 LEU A 57 7.472 -3.112 10.709 1.00 25.00 H new ATOM 0 HD13 LEU A 57 8.358 -1.582 10.502 1.00 25.00 H new ATOM 0 HD21 LEU A 57 9.167 -1.375 13.487 1.00 25.00 H new ATOM 0 HD22 LEU A 57 8.593 -0.014 12.494 1.00 25.00 H new ATOM 0 HD23 LEU A 57 7.767 -0.414 14.019 1.00 25.00 H new ATOM 879 N LEU A 58 5.243 1.467 13.398 1.00 25.00 N ATOM 880 CA LEU A 58 5.587 2.632 14.171 1.00 25.00 C ATOM 881 C LEU A 58 4.704 2.837 15.407 1.00 25.00 C ATOM 882 O LEU A 58 5.195 3.199 16.476 1.00 25.00 O ATOM 883 CB LEU A 58 5.502 3.802 13.204 1.00 25.00 C ATOM 884 CG LEU A 58 6.038 5.135 13.664 1.00 25.00 C ATOM 885 CD1 LEU A 58 6.706 5.835 12.498 1.00 25.00 C ATOM 886 CD2 LEU A 58 4.916 5.983 14.206 1.00 25.00 C ATOM 0 H LEU A 58 4.953 1.683 12.444 1.00 25.00 H new ATOM 0 HA LEU A 58 6.587 2.524 14.592 1.00 25.00 H new ATOM 0 HB2 LEU A 58 6.033 3.524 12.294 1.00 25.00 H new ATOM 0 HB3 LEU A 58 4.455 3.937 12.933 1.00 25.00 H new ATOM 0 HG LEU A 58 6.769 4.979 14.457 1.00 25.00 H new ATOM 0 HD11 LEU A 58 7.095 6.799 12.827 1.00 25.00 H new ATOM 0 HD12 LEU A 58 7.526 5.221 12.126 1.00 25.00 H new ATOM 0 HD13 LEU A 58 5.978 5.990 11.701 1.00 25.00 H new ATOM 0 HD21 LEU A 58 5.312 6.943 14.536 1.00 25.00 H new ATOM 0 HD22 LEU A 58 4.173 6.146 13.425 1.00 25.00 H new ATOM 0 HD23 LEU A 58 4.450 5.474 15.050 1.00 25.00 H new ATOM 898 N GLU A 59 3.421 2.548 15.272 1.00 25.00 N ATOM 899 CA GLU A 59 2.462 2.678 16.369 1.00 25.00 C ATOM 900 C GLU A 59 2.789 1.760 17.559 1.00 25.00 C ATOM 901 O GLU A 59 2.477 2.081 18.696 1.00 25.00 O ATOM 902 CB GLU A 59 1.062 2.378 15.818 1.00 25.00 C ATOM 903 CG GLU A 59 -0.084 2.492 16.827 1.00 25.00 C ATOM 904 CD GLU A 59 -0.455 1.165 17.435 1.00 25.00 C ATOM 905 OE1 GLU A 59 -0.375 0.922 18.604 1.00 25.00 O ATOM 906 OE2 GLU A 59 -0.889 0.303 16.567 1.00 25.00 O ATOM 0 H GLU A 59 3.009 2.216 14.400 1.00 25.00 H new ATOM 0 HA GLU A 59 2.513 3.696 16.756 1.00 25.00 H new ATOM 0 HB2 GLU A 59 0.863 3.059 14.991 1.00 25.00 H new ATOM 0 HB3 GLU A 59 1.061 1.368 15.407 1.00 25.00 H new ATOM 0 HG2 GLU A 59 0.202 3.183 17.620 1.00 25.00 H new ATOM 0 HG3 GLU A 59 -0.957 2.918 16.333 1.00 25.00 H new ATOM 914 N THR A 60 3.469 0.651 17.314 1.00 25.00 N ATOM 915 CA THR A 60 3.812 -0.291 18.393 1.00 25.00 C ATOM 916 C THR A 60 4.732 0.309 19.461 1.00 25.00 C ATOM 917 O THR A 60 4.882 -0.242 20.550 1.00 25.00 O ATOM 918 CB THR A 60 4.465 -1.573 17.846 1.00 25.00 C ATOM 919 OG1 THR A 60 5.777 -1.281 17.355 1.00 25.00 O ATOM 920 CG2 THR A 60 3.633 -2.152 16.709 1.00 25.00 C ATOM 0 H THR A 60 3.797 0.373 16.389 1.00 25.00 H new ATOM 0 HA THR A 60 2.858 -0.530 18.864 1.00 25.00 H new ATOM 0 HB THR A 60 4.524 -2.299 18.657 1.00 25.00 H new ATOM 0 HG1 THR A 60 5.715 -0.947 16.436 1.00 25.00 H new ATOM 0 HG21 THR A 60 4.109 -3.058 16.334 1.00 25.00 H new ATOM 0 HG22 THR A 60 2.634 -2.392 17.074 1.00 25.00 H new ATOM 0 HG23 THR A 60 3.559 -1.421 15.904 1.00 25.00 H new ATOM 928 N TYR A 61 5.377 1.422 19.137 1.00 25.00 N ATOM 929 CA TYR A 61 6.272 2.093 20.074 1.00 25.00 C ATOM 930 C TYR A 61 5.558 3.142 20.940 1.00 25.00 C ATOM 931 O TYR A 61 6.196 3.796 21.772 1.00 25.00 O ATOM 932 CB TYR A 61 7.412 2.748 19.299 1.00 25.00 C ATOM 933 CG TYR A 61 8.543 1.791 19.005 1.00 25.00 C ATOM 934 CD1 TYR A 61 8.516 0.955 17.869 1.00 25.00 C ATOM 935 CD2 TYR A 61 9.654 1.715 19.867 1.00 25.00 C ATOM 936 CE1 TYR A 61 9.596 0.073 17.589 1.00 25.00 C ATOM 937 CE2 TYR A 61 10.724 0.826 19.600 1.00 25.00 C ATOM 938 CZ TYR A 61 10.689 0.020 18.460 1.00 25.00 C ATOM 939 OH TYR A 61 11.738 -0.827 18.209 1.00 25.00 O ATOM 0 H TYR A 61 5.297 1.881 18.230 1.00 25.00 H new ATOM 0 HA TYR A 61 6.657 1.335 20.756 1.00 25.00 H new ATOM 0 HB2 TYR A 61 7.026 3.147 18.361 1.00 25.00 H new ATOM 0 HB3 TYR A 61 7.796 3.593 19.871 1.00 25.00 H new ATOM 0 HD1 TYR A 61 7.665 0.985 17.204 1.00 25.00 H new ATOM 0 HD2 TYR A 61 9.691 2.344 20.744 1.00 25.00 H new ATOM 0 HE1 TYR A 61 9.572 -0.552 16.709 1.00 25.00 H new ATOM 0 HE2 TYR A 61 11.564 0.772 20.276 1.00 25.00 H new ATOM 0 HH TYR A 61 12.411 -0.733 18.916 1.00 25.00 H new ATOM 949 N CYS A 62 4.254 3.306 20.768 1.00 25.00 N ATOM 950 CA CYS A 62 3.500 4.277 21.563 1.00 25.00 C ATOM 951 C CYS A 62 3.475 3.914 23.048 1.00 25.00 C ATOM 952 O CYS A 62 3.713 2.774 23.429 1.00 25.00 O ATOM 953 CB CYS A 62 2.084 4.413 21.031 1.00 25.00 C ATOM 954 SG CYS A 62 2.076 5.126 19.362 1.00 25.00 S ATOM 0 H CYS A 62 3.695 2.786 20.091 1.00 25.00 H new ATOM 0 HA CYS A 62 4.012 5.235 21.471 1.00 25.00 H new ATOM 0 HB2 CYS A 62 1.604 3.435 21.014 1.00 25.00 H new ATOM 0 HB3 CYS A 62 1.500 5.043 21.701 1.00 25.00 H new ATOM 959 N ALA A 63 3.242 4.914 23.888 1.00 25.00 N ATOM 960 CA ALA A 63 3.330 4.724 25.331 1.00 25.00 C ATOM 961 C ALA A 63 2.195 3.866 25.890 1.00 25.00 C ATOM 962 O ALA A 63 2.400 3.083 26.815 1.00 25.00 O ATOM 963 CB ALA A 63 3.356 6.084 26.024 1.00 25.00 C ATOM 0 H ALA A 63 2.992 5.860 23.598 1.00 25.00 H new ATOM 0 HA ALA A 63 4.255 4.183 25.531 1.00 25.00 H new ATOM 0 HB1 ALA A 63 3.422 5.942 27.103 1.00 25.00 H new ATOM 0 HB2 ALA A 63 4.221 6.651 25.680 1.00 25.00 H new ATOM 0 HB3 ALA A 63 2.444 6.631 25.785 1.00 25.00 H new ATOM 969 N THR A 64 1.003 4.054 25.348 1.00 25.00 N ATOM 970 CA THR A 64 -0.187 3.331 25.791 1.00 25.00 C ATOM 971 C THR A 64 -1.248 3.513 24.684 1.00 25.00 C ATOM 972 O THR A 64 -1.225 4.531 23.970 1.00 25.00 O ATOM 973 CB THR A 64 -0.676 3.874 27.186 1.00 25.00 C ATOM 974 OG1 THR A 64 -1.499 2.908 27.839 1.00 25.00 O ATOM 975 CG2 THR A 64 -1.463 5.142 27.059 1.00 25.00 C ATOM 0 H THR A 64 0.829 4.712 24.588 1.00 25.00 H new ATOM 0 HA THR A 64 0.016 2.270 25.940 1.00 25.00 H new ATOM 0 HB THR A 64 0.223 4.073 27.769 1.00 25.00 H new ATOM 0 HG1 THR A 64 -1.793 3.260 28.705 1.00 25.00 H new ATOM 0 HG21 THR A 64 -1.777 5.476 28.048 1.00 25.00 H new ATOM 0 HG22 THR A 64 -0.843 5.910 26.597 1.00 25.00 H new ATOM 0 HG23 THR A 64 -2.342 4.964 26.440 1.00 25.00 H new ATOM 983 N PRO A 65 -2.153 2.532 24.493 1.00 25.00 N ATOM 984 CA PRO A 65 -3.171 2.631 23.437 1.00 25.00 C ATOM 985 C PRO A 65 -4.301 3.601 23.771 1.00 25.00 C ATOM 986 O PRO A 65 -4.450 4.037 24.916 1.00 25.00 O ATOM 987 CB PRO A 65 -3.706 1.202 23.351 1.00 25.00 C ATOM 988 CG PRO A 65 -3.593 0.701 24.740 1.00 25.00 C ATOM 989 CD PRO A 65 -2.282 1.265 25.236 1.00 25.00 C ATOM 0 HA PRO A 65 -2.751 3.018 22.508 1.00 25.00 H new ATOM 0 HB2 PRO A 65 -4.738 1.181 23.000 1.00 25.00 H new ATOM 0 HB3 PRO A 65 -3.122 0.597 22.658 1.00 25.00 H new ATOM 0 HG2 PRO A 65 -4.428 1.038 25.354 1.00 25.00 H new ATOM 0 HG3 PRO A 65 -3.594 -0.389 24.771 1.00 25.00 H new ATOM 0 HD2 PRO A 65 -2.298 1.431 26.313 1.00 25.00 H new ATOM 0 HD3 PRO A 65 -1.451 0.591 25.029 1.00 25.00 H new ATOM 997 N ALA A 66 -5.097 3.944 22.768 1.00 25.00 N ATOM 998 CA ALA A 66 -6.201 4.884 22.935 1.00 25.00 C ATOM 999 C ALA A 66 -7.550 4.189 22.780 1.00 25.00 C ATOM 1000 O ALA A 66 -7.670 3.192 22.079 1.00 25.00 O ATOM 1001 CB ALA A 66 -6.081 6.003 21.897 1.00 25.00 C ATOM 0 H ALA A 66 -4.998 3.582 21.820 1.00 25.00 H new ATOM 0 HA ALA A 66 -6.145 5.299 23.941 1.00 25.00 H new ATOM 0 HB1 ALA A 66 -6.906 6.705 22.022 1.00 25.00 H new ATOM 0 HB2 ALA A 66 -5.135 6.527 22.034 1.00 25.00 H new ATOM 0 HB3 ALA A 66 -6.117 5.575 20.895 1.00 25.00 H new ATOM 1007 N LYS A 67 -8.566 4.795 23.377 1.00 25.00 N ATOM 1008 CA LYS A 67 -9.956 4.390 23.193 1.00 25.00 C ATOM 1009 C LYS A 67 -10.707 5.702 23.046 1.00 25.00 C ATOM 1010 O LYS A 67 -10.698 6.512 23.968 1.00 25.00 O ATOM 1011 CB LYS A 67 -10.466 3.602 24.405 1.00 25.00 C ATOM 1012 CG LYS A 67 -11.864 3.029 24.205 1.00 25.00 C ATOM 1013 CD LYS A 67 -12.380 2.370 25.483 1.00 25.00 C ATOM 1014 CE LYS A 67 -13.693 1.618 25.241 1.00 25.00 C ATOM 1015 NZ LYS A 67 -14.778 2.510 24.716 1.00 25.00 N ATOM 0 H LYS A 67 -8.450 5.588 24.008 1.00 25.00 H new ATOM 0 HA LYS A 67 -10.087 3.733 22.334 1.00 25.00 H new ATOM 0 HB2 LYS A 67 -9.774 2.787 24.618 1.00 25.00 H new ATOM 0 HB3 LYS A 67 -10.469 4.254 25.279 1.00 25.00 H new ATOM 0 HG2 LYS A 67 -12.546 3.824 23.902 1.00 25.00 H new ATOM 0 HG3 LYS A 67 -11.848 2.298 23.397 1.00 25.00 H new ATOM 0 HD2 LYS A 67 -11.629 1.678 25.865 1.00 25.00 H new ATOM 0 HD3 LYS A 67 -12.532 3.130 26.249 1.00 25.00 H new ATOM 0 HE2 LYS A 67 -13.519 0.808 24.533 1.00 25.00 H new ATOM 0 HE3 LYS A 67 -14.023 1.160 26.174 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 -15.572 1.929 24.379 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 -15.107 3.140 25.475 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 -14.408 3.081 23.929 1.00 25.00 H new ATOM 1029 N SER A 68 -11.261 5.950 21.872 1.00 25.00 N ATOM 1030 CA SER A 68 -11.922 7.226 21.581 1.00 25.00 C ATOM 1031 C SER A 68 -13.197 7.018 20.769 1.00 25.00 C ATOM 1032 O SER A 68 -13.498 7.791 19.864 1.00 25.00 O ATOM 1033 CB SER A 68 -10.958 8.131 20.813 1.00 25.00 C ATOM 1034 OG SER A 68 -10.563 7.517 19.599 1.00 25.00 O ATOM 0 H SER A 68 -11.270 5.287 21.097 1.00 25.00 H new ATOM 0 HA SER A 68 -12.199 7.694 22.525 1.00 25.00 H new ATOM 0 HB2 SER A 68 -11.436 9.088 20.605 1.00 25.00 H new ATOM 0 HB3 SER A 68 -10.080 8.340 21.425 1.00 25.00 H new ATOM 0 HG SER A 68 -9.948 8.109 19.118 1.00 25.00 H new ATOM 1040 N GLU A 69 -13.914 5.949 21.082 1.00 25.00 N ATOM 1041 CA GLU A 69 -15.192 5.646 20.432 1.00 25.00 C ATOM 1042 C GLU A 69 -16.326 6.252 21.264 1.00 25.00 C ATOM 1043 O GLU A 69 -17.433 6.443 20.724 1.00 25.00 O ATOM 1044 CB GLU A 69 -15.376 4.125 20.306 1.00 25.00 C ATOM 1045 CG GLU A 69 -15.725 3.441 21.623 1.00 25.00 C ATOM 1046 CD GLU A 69 -15.225 2.013 21.710 1.00 25.00 C ATOM 1047 OE1 GLU A 69 -14.006 1.851 21.954 1.00 25.00 O ATOM 1048 OE2 GLU A 69 -16.050 1.081 21.786 1.00 25.00 O ATOM 1049 OXT GLU A 69 -16.078 6.512 22.469 1.00 25.00 O ATOM 0 H GLU A 69 -13.634 5.268 21.788 1.00 25.00 H new ATOM 0 HA GLU A 69 -15.205 6.075 19.430 1.00 25.00 H new ATOM 0 HB2 GLU A 69 -16.164 3.922 19.581 1.00 25.00 H new ATOM 0 HB3 GLU A 69 -14.459 3.688 19.911 1.00 25.00 H new ATOM 0 HG2 GLU A 69 -15.302 4.017 22.446 1.00 25.00 H new ATOM 0 HG3 GLU A 69 -16.807 3.448 21.752 1.00 25.00 H new TER 1056 GLU A 69