USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 271 hydrogens (4 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 NoAdj-H: A 18 SEP H2 : A 18 SEP N : A 17 SER C :(H bumps) USER MOD NoAdj-H: A 18 SEP H : A 18 SEP N : A 17 SER C :(H bumps) USER MOD Single : A 1 GLU N :NH3+ -153:sc= -0.791 (180deg=-2.18!) USER MOD Single : A 2 LYS NZ :NH3+ -165:sc= -0.0926 (180deg=-0.407) USER MOD Single : A 4 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0562) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 9 ASN : amide:sc= -1.37 K(o=-1.4,f=-0.094) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -26:sc= 0.0731 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.153 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0594 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.323 K(o=-0.32,f=-3.4!) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0488) USER MOD Single : A 35 THR OG1 : rot 59:sc= 0.0932 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 30.279 5.209 -4.452 1.00 15.12 N ATOM 2 CA GLU A 1 30.693 6.482 -3.808 1.00 14.81 C ATOM 3 C GLU A 1 29.581 7.021 -2.912 1.00 14.09 C ATOM 4 O GLU A 1 28.491 7.337 -3.385 1.00 14.04 O ATOM 5 CB GLU A 1 31.051 7.527 -4.871 1.00 15.49 C ATOM 6 CG GLU A 1 32.357 7.246 -5.601 1.00 16.22 C ATOM 7 CD GLU A 1 32.317 5.969 -6.418 1.00 16.63 C ATOM 8 OE1 GLU A 1 31.779 6.001 -7.544 1.00 16.69 O ATOM 9 OE2 GLU A 1 32.828 4.937 -5.932 1.00 17.01 O ATOM 0 H1 GLU A 1 31.121 4.637 -4.663 1.00 15.12 H new ATOM 0 H2 GLU A 1 29.655 4.682 -3.809 1.00 15.12 H new ATOM 0 H3 GLU A 1 29.771 5.416 -5.335 1.00 15.12 H new ATOM 0 HA GLU A 1 31.571 6.280 -3.195 1.00 14.81 H new ATOM 0 HB2 GLU A 1 30.243 7.579 -5.601 1.00 15.49 H new ATOM 0 HB3 GLU A 1 31.116 8.506 -4.396 1.00 15.49 H new ATOM 0 HG2 GLU A 1 32.587 8.084 -6.259 1.00 16.22 H new ATOM 0 HG3 GLU A 1 33.166 7.180 -4.874 1.00 16.22 H new ATOM 18 N LYS A 2 29.869 7.117 -1.617 1.00 13.72 N ATOM 19 CA LYS A 2 28.898 7.617 -0.645 1.00 13.19 C ATOM 20 C LYS A 2 27.632 6.762 -0.642 1.00 12.05 C ATOM 21 O LYS A 2 27.565 5.730 -1.312 1.00 11.96 O ATOM 22 CB LYS A 2 28.543 9.076 -0.951 1.00 13.87 C ATOM 23 CG LYS A 2 29.755 9.969 -1.171 1.00 14.32 C ATOM 24 CD LYS A 2 30.641 10.032 0.064 1.00 15.08 C ATOM 25 CE LYS A 2 31.868 10.895 -0.178 1.00 15.61 C ATOM 26 NZ LYS A 2 32.672 10.405 -1.330 1.00 16.09 N ATOM 0 H LYS A 2 30.769 6.855 -1.214 1.00 13.72 H new ATOM 0 HA LYS A 2 29.352 7.559 0.344 1.00 13.19 H new ATOM 0 HB2 LYS A 2 27.913 9.108 -1.840 1.00 13.87 H new ATOM 0 HB3 LYS A 2 27.952 9.477 -0.127 1.00 13.87 H new ATOM 0 HG2 LYS A 2 30.334 9.595 -2.015 1.00 14.32 H new ATOM 0 HG3 LYS A 2 29.424 10.974 -1.432 1.00 14.32 H new ATOM 0 HD2 LYS A 2 30.071 10.433 0.902 1.00 15.08 H new ATOM 0 HD3 LYS A 2 30.952 9.025 0.343 1.00 15.08 H new ATOM 0 HE2 LYS A 2 31.558 11.923 -0.363 1.00 15.61 H new ATOM 0 HE3 LYS A 2 32.487 10.905 0.719 1.00 15.61 H new ATOM 0 HZ1 LYS A 2 33.613 10.848 -1.310 1.00 16.09 H new ATOM 0 HZ2 LYS A 2 32.774 9.372 -1.268 1.00 16.09 H new ATOM 0 HZ3 LYS A 2 32.192 10.652 -2.219 1.00 16.09 H new ATOM 40 N LEU A 3 26.631 7.198 0.120 1.00 11.32 N ATOM 41 CA LEU A 3 25.366 6.481 0.213 1.00 10.29 C ATOM 42 C LEU A 3 24.281 7.373 0.810 1.00 9.21 C ATOM 43 O LEU A 3 24.498 8.032 1.828 1.00 9.00 O ATOM 44 CB LEU A 3 25.528 5.217 1.062 1.00 10.27 C ATOM 45 CG LEU A 3 24.304 4.296 1.097 1.00 10.39 C ATOM 46 CD1 LEU A 3 24.048 3.697 -0.277 1.00 10.65 C ATOM 47 CD2 LEU A 3 24.493 3.198 2.132 1.00 10.84 C ATOM 0 H LEU A 3 26.674 8.048 0.683 1.00 11.32 H new ATOM 0 HA LEU A 3 25.065 6.194 -0.795 1.00 10.29 H new ATOM 0 HB2 LEU A 3 26.379 4.650 0.684 1.00 10.27 H new ATOM 0 HB3 LEU A 3 25.770 5.512 2.083 1.00 10.27 H new ATOM 0 HG LEU A 3 23.434 4.889 1.380 1.00 10.39 H new ATOM 0 HD11 LEU A 3 23.175 3.046 -0.233 1.00 10.65 H new ATOM 0 HD12 LEU A 3 23.868 4.497 -0.995 1.00 10.65 H new ATOM 0 HD13 LEU A 3 24.917 3.118 -0.589 1.00 10.65 H new ATOM 0 HD21 LEU A 3 23.614 2.553 2.143 1.00 10.84 H new ATOM 0 HD22 LEU A 3 25.373 2.607 1.879 1.00 10.84 H new ATOM 0 HD23 LEU A 3 24.627 3.645 3.117 1.00 10.84 H new ATOM 59 N LYS A 4 23.113 7.390 0.171 1.00 8.75 N ATOM 60 CA LYS A 4 21.999 8.208 0.640 1.00 7.88 C ATOM 61 C LYS A 4 20.933 7.350 1.313 1.00 6.56 C ATOM 62 O LYS A 4 20.569 7.586 2.465 1.00 6.12 O ATOM 63 CB LYS A 4 21.374 8.979 -0.526 1.00 8.37 C ATOM 64 CG LYS A 4 22.368 9.799 -1.335 1.00 9.77 C ATOM 65 CD LYS A 4 23.092 8.949 -2.366 1.00 10.39 C ATOM 66 CE LYS A 4 23.923 9.804 -3.310 1.00 11.36 C ATOM 67 NZ LYS A 4 24.972 10.574 -2.586 1.00 12.01 N ATOM 0 H LYS A 4 22.915 6.848 -0.670 1.00 8.75 H new ATOM 0 HA LYS A 4 22.391 8.915 1.372 1.00 7.88 H new ATOM 0 HB2 LYS A 4 20.878 8.272 -1.190 1.00 8.37 H new ATOM 0 HB3 LYS A 4 20.604 9.644 -0.136 1.00 8.37 H new ATOM 0 HG2 LYS A 4 21.845 10.613 -1.837 1.00 9.77 H new ATOM 0 HG3 LYS A 4 23.096 10.254 -0.663 1.00 9.77 H new ATOM 0 HD2 LYS A 4 23.738 8.232 -1.859 1.00 10.39 H new ATOM 0 HD3 LYS A 4 22.365 8.373 -2.939 1.00 10.39 H new ATOM 0 HE2 LYS A 4 24.393 9.166 -4.058 1.00 11.36 H new ATOM 0 HE3 LYS A 4 23.270 10.494 -3.844 1.00 11.36 H new ATOM 0 HZ1 LYS A 4 25.600 11.036 -3.274 1.00 12.01 H new ATOM 0 HZ2 LYS A 4 24.522 11.296 -1.988 1.00 12.01 H new ATOM 0 HZ3 LYS A 4 25.527 9.928 -1.990 1.00 12.01 H new ATOM 81 N GLN A 5 20.437 6.355 0.586 1.00 6.18 N ATOM 82 CA GLN A 5 19.406 5.464 1.105 1.00 5.10 C ATOM 83 C GLN A 5 19.802 4.001 0.935 1.00 4.85 C ATOM 84 O GLN A 5 20.953 3.690 0.623 1.00 5.41 O ATOM 85 CB GLN A 5 18.078 5.725 0.395 1.00 5.37 C ATOM 86 CG GLN A 5 18.171 5.635 -1.119 1.00 6.31 C ATOM 87 CD GLN A 5 16.872 5.999 -1.807 1.00 6.77 C ATOM 88 OE1 GLN A 5 15.787 5.795 -1.261 1.00 6.74 O ATOM 89 NE2 GLN A 5 16.975 6.541 -3.015 1.00 7.51 N ATOM 0 H GLN A 5 20.733 6.145 -0.367 1.00 6.18 H new ATOM 0 HA GLN A 5 19.294 5.667 2.170 1.00 5.10 H new ATOM 0 HB2 GLN A 5 17.339 5.006 0.749 1.00 5.37 H new ATOM 0 HB3 GLN A 5 17.717 6.716 0.670 1.00 5.37 H new ATOM 0 HG2 GLN A 5 18.962 6.298 -1.470 1.00 6.31 H new ATOM 0 HG3 GLN A 5 18.456 4.622 -1.402 1.00 6.31 H new ATOM 0 HE21 GLN A 5 17.895 6.692 -3.429 1.00 7.51 H new ATOM 0 HE22 GLN A 5 16.134 6.806 -3.528 1.00 7.51 H new ATOM 98 N ASP A 6 18.839 3.108 1.142 1.00 4.37 N ATOM 99 CA ASP A 6 19.076 1.677 1.010 1.00 4.44 C ATOM 100 C ASP A 6 18.307 1.111 -0.180 1.00 3.95 C ATOM 101 O ASP A 6 17.078 1.049 -0.165 1.00 4.03 O ATOM 102 CB ASP A 6 18.661 0.954 2.292 1.00 5.16 C ATOM 103 CG ASP A 6 19.414 1.457 3.506 1.00 6.02 C ATOM 104 OD1 ASP A 6 20.592 1.078 3.676 1.00 6.42 O ATOM 105 OD2 ASP A 6 18.826 2.232 4.292 1.00 6.55 O ATOM 0 H ASP A 6 17.884 3.353 1.403 1.00 4.37 H new ATOM 0 HA ASP A 6 20.141 1.519 0.841 1.00 4.44 H new ATOM 0 HB2 ASP A 6 17.591 1.086 2.451 1.00 5.16 H new ATOM 0 HB3 ASP A 6 18.836 -0.116 2.176 1.00 5.16 H new ATOM 110 N ILE A 7 19.041 0.702 -1.210 1.00 4.03 N ATOM 111 CA ILE A 7 18.432 0.149 -2.409 1.00 4.18 C ATOM 112 C ILE A 7 17.689 -1.152 -2.112 1.00 4.03 C ATOM 113 O ILE A 7 16.713 -1.489 -2.782 1.00 4.59 O ATOM 114 CB ILE A 7 19.493 -0.112 -3.495 1.00 5.06 C ATOM 115 CG1 ILE A 7 18.821 -0.548 -4.798 1.00 5.77 C ATOM 116 CG2 ILE A 7 20.488 -1.163 -3.025 1.00 5.52 C ATOM 117 CD1 ILE A 7 19.774 -0.660 -5.968 1.00 6.57 C ATOM 0 H ILE A 7 20.060 0.744 -1.236 1.00 4.03 H new ATOM 0 HA ILE A 7 17.716 0.887 -2.771 1.00 4.18 H new ATOM 0 HB ILE A 7 20.037 0.814 -3.681 1.00 5.06 H new ATOM 0 HG12 ILE A 7 18.337 -1.512 -4.642 1.00 5.77 H new ATOM 0 HG13 ILE A 7 18.036 0.166 -5.048 1.00 5.77 H new ATOM 0 HG21 ILE A 7 21.230 -1.335 -3.804 1.00 5.52 H new ATOM 0 HG22 ILE A 7 20.986 -0.814 -2.120 1.00 5.52 H new ATOM 0 HG23 ILE A 7 19.961 -2.094 -2.813 1.00 5.52 H new ATOM 0 HD11 ILE A 7 19.225 -0.973 -6.856 1.00 6.57 H new ATOM 0 HD12 ILE A 7 20.239 0.308 -6.152 1.00 6.57 H new ATOM 0 HD13 ILE A 7 20.545 -1.396 -5.740 1.00 6.57 H new ATOM 129 N LEU A 8 18.156 -1.877 -1.102 1.00 3.78 N ATOM 130 CA LEU A 8 17.546 -3.138 -0.722 1.00 4.24 C ATOM 131 C LEU A 8 17.874 -3.481 0.723 1.00 4.15 C ATOM 132 O LEU A 8 17.255 -4.362 1.322 1.00 4.91 O ATOM 133 CB LEU A 8 18.034 -4.252 -1.646 1.00 5.10 C ATOM 134 CG LEU A 8 17.184 -5.517 -1.638 1.00 6.03 C ATOM 135 CD1 LEU A 8 15.754 -5.189 -2.034 1.00 6.66 C ATOM 136 CD2 LEU A 8 17.780 -6.552 -2.575 1.00 6.63 C ATOM 0 H LEU A 8 18.958 -1.609 -0.532 1.00 3.78 H new ATOM 0 HA LEU A 8 16.464 -3.041 -0.816 1.00 4.24 H new ATOM 0 HB2 LEU A 8 18.074 -3.866 -2.665 1.00 5.10 H new ATOM 0 HB3 LEU A 8 19.053 -4.516 -1.364 1.00 5.10 H new ATOM 0 HG LEU A 8 17.173 -5.932 -0.630 1.00 6.03 H new ATOM 0 HD11 LEU A 8 15.156 -6.100 -2.025 1.00 6.66 H new ATOM 0 HD12 LEU A 8 15.336 -4.473 -1.326 1.00 6.66 H new ATOM 0 HD13 LEU A 8 15.743 -4.758 -3.035 1.00 6.66 H new ATOM 0 HD21 LEU A 8 17.165 -7.452 -2.562 1.00 6.63 H new ATOM 0 HD22 LEU A 8 17.813 -6.150 -3.588 1.00 6.63 H new ATOM 0 HD23 LEU A 8 18.791 -6.798 -2.249 1.00 6.63 H new ATOM 148 N ASN A 9 18.850 -2.775 1.277 1.00 3.64 N ATOM 149 CA ASN A 9 19.263 -2.995 2.656 1.00 4.09 C ATOM 150 C ASN A 9 18.092 -2.761 3.597 1.00 3.65 C ATOM 151 O ASN A 9 17.954 -3.436 4.618 1.00 4.39 O ATOM 152 CB ASN A 9 20.421 -2.064 3.024 1.00 4.82 C ATOM 153 CG ASN A 9 21.475 -1.991 1.938 1.00 5.28 C ATOM 154 OD1 ASN A 9 22.410 -2.791 1.907 1.00 5.88 O ATOM 155 ND2 ASN A 9 21.334 -1.020 1.039 1.00 5.40 N ATOM 0 H ASN A 9 19.371 -2.044 0.792 1.00 3.64 H new ATOM 0 HA ASN A 9 19.599 -4.027 2.755 1.00 4.09 H new ATOM 0 HB2 ASN A 9 20.032 -1.064 3.216 1.00 4.82 H new ATOM 0 HB3 ASN A 9 20.881 -2.410 3.950 1.00 4.82 H new ATOM 0 HD21 ASN A 9 22.016 -0.918 0.288 1.00 5.40 H new ATOM 0 HD22 ASN A 9 20.544 -0.378 1.101 1.00 5.40 H new ATOM 162 N LEU A 10 17.243 -1.801 3.236 1.00 2.89 N ATOM 163 CA LEU A 10 16.073 -1.463 4.042 1.00 3.16 C ATOM 164 C LEU A 10 15.254 -0.360 3.376 1.00 3.00 C ATOM 165 O LEU A 10 15.590 0.820 3.478 1.00 3.34 O ATOM 166 CB LEU A 10 16.497 -1.019 5.445 1.00 4.00 C ATOM 167 CG LEU A 10 15.348 -0.795 6.430 1.00 4.95 C ATOM 168 CD1 LEU A 10 14.633 -2.104 6.729 1.00 5.53 C ATOM 169 CD2 LEU A 10 15.866 -0.164 7.715 1.00 5.82 C ATOM 0 H LEU A 10 17.344 -1.243 2.388 1.00 2.89 H new ATOM 0 HA LEU A 10 15.454 -2.356 4.124 1.00 3.16 H new ATOM 0 HB2 LEU A 10 17.169 -1.771 5.859 1.00 4.00 H new ATOM 0 HB3 LEU A 10 17.067 -0.094 5.360 1.00 4.00 H new ATOM 0 HG LEU A 10 14.632 -0.112 5.973 1.00 4.95 H new ATOM 0 HD11 LEU A 10 13.820 -1.922 7.431 1.00 5.53 H new ATOM 0 HD12 LEU A 10 14.229 -2.517 5.805 1.00 5.53 H new ATOM 0 HD13 LEU A 10 15.338 -2.812 7.165 1.00 5.53 H new ATOM 0 HD21 LEU A 10 15.036 -0.011 8.405 1.00 5.82 H new ATOM 0 HD22 LEU A 10 16.603 -0.824 8.173 1.00 5.82 H new ATOM 0 HD23 LEU A 10 16.330 0.796 7.488 1.00 5.82 H new ATOM 181 N ARG A 11 14.182 -0.750 2.694 1.00 3.22 N ATOM 182 CA ARG A 11 13.319 0.212 2.016 1.00 3.83 C ATOM 183 C ARG A 11 12.433 0.945 3.016 1.00 3.89 C ATOM 184 O ARG A 11 11.592 0.336 3.680 1.00 4.53 O ATOM 185 CB ARG A 11 12.449 -0.491 0.969 1.00 4.72 C ATOM 186 CG ARG A 11 13.247 -1.243 -0.081 1.00 5.10 C ATOM 187 CD ARG A 11 12.342 -1.846 -1.145 1.00 6.23 C ATOM 188 NE ARG A 11 11.314 -2.710 -0.568 1.00 6.90 N ATOM 189 CZ ARG A 11 10.284 -3.194 -1.259 1.00 7.99 C ATOM 190 NH1 ARG A 11 10.138 -2.892 -2.542 1.00 8.52 N ATOM 191 NH2 ARG A 11 9.399 -3.983 -0.665 1.00 8.73 N ATOM 0 H ARG A 11 13.890 -1.722 2.596 1.00 3.22 H new ATOM 0 HA ARG A 11 13.957 0.941 1.516 1.00 3.83 H new ATOM 0 HB2 ARG A 11 11.781 -1.189 1.474 1.00 4.72 H new ATOM 0 HB3 ARG A 11 11.821 0.250 0.474 1.00 4.72 H new ATOM 0 HG2 ARG A 11 13.961 -0.566 -0.550 1.00 5.10 H new ATOM 0 HG3 ARG A 11 13.825 -2.034 0.397 1.00 5.10 H new ATOM 0 HD2 ARG A 11 11.866 -1.046 -1.711 1.00 6.23 H new ATOM 0 HD3 ARG A 11 12.944 -2.420 -1.849 1.00 6.23 H new ATOM 0 HE ARG A 11 11.390 -2.956 0.419 1.00 6.90 H new ATOM 0 HH11 ARG A 11 10.817 -2.286 -3.004 1.00 8.52 H new ATOM 0 HH12 ARG A 11 9.347 -3.265 -3.067 1.00 8.52 H new ATOM 0 HH21 ARG A 11 9.507 -4.219 0.321 1.00 8.73 H new ATOM 0 HH22 ARG A 11 8.610 -4.354 -1.194 1.00 8.73 H new ATOM 205 N THR A 12 12.623 2.259 3.121 1.00 3.70 N ATOM 206 CA THR A 12 11.837 3.072 4.042 1.00 4.16 C ATOM 207 C THR A 12 11.526 4.442 3.448 1.00 3.92 C ATOM 208 O THR A 12 10.403 4.934 3.565 1.00 4.67 O ATOM 209 CB THR A 12 12.561 3.258 5.390 1.00 5.12 C ATOM 210 OG1 THR A 12 11.835 4.182 6.212 1.00 5.44 O ATOM 211 CG2 THR A 12 13.981 3.766 5.182 1.00 5.83 C ATOM 0 H THR A 12 13.313 2.781 2.580 1.00 3.70 H new ATOM 0 HA THR A 12 10.903 2.536 4.212 1.00 4.16 H new ATOM 0 HB THR A 12 12.610 2.288 5.885 1.00 5.12 H new ATOM 0 HG1 THR A 12 12.300 4.294 7.067 1.00 5.44 H new ATOM 0 HG21 THR A 12 14.469 3.888 6.149 1.00 5.83 H new ATOM 0 HG22 THR A 12 14.540 3.048 4.582 1.00 5.83 H new ATOM 0 HG23 THR A 12 13.952 4.726 4.666 1.00 5.83 H new ATOM 219 N ASP A 13 12.524 5.049 2.809 1.00 3.22 N ATOM 220 CA ASP A 13 12.356 6.364 2.198 1.00 3.33 C ATOM 221 C ASP A 13 11.895 7.394 3.226 1.00 3.09 C ATOM 222 O ASP A 13 12.710 8.012 3.910 1.00 3.22 O ATOM 223 CB ASP A 13 11.369 6.287 1.029 1.00 3.75 C ATOM 224 CG ASP A 13 11.072 7.648 0.426 1.00 4.30 C ATOM 225 OD1 ASP A 13 11.909 8.148 -0.355 1.00 4.78 O ATOM 226 OD2 ASP A 13 10.002 8.214 0.737 1.00 4.64 O ATOM 0 H ASP A 13 13.457 4.651 2.701 1.00 3.22 H new ATOM 0 HA ASP A 13 13.324 6.686 1.815 1.00 3.33 H new ATOM 0 HB2 ASP A 13 11.775 5.633 0.258 1.00 3.75 H new ATOM 0 HB3 ASP A 13 10.439 5.835 1.373 1.00 3.75 H new ATOM 231 N ILE A 14 10.586 7.569 3.328 1.00 3.29 N ATOM 232 CA ILE A 14 10.005 8.517 4.272 1.00 3.41 C ATOM 233 C ILE A 14 8.795 7.910 4.975 1.00 3.25 C ATOM 234 O ILE A 14 8.857 7.570 6.159 1.00 3.86 O ATOM 235 CB ILE A 14 9.576 9.824 3.574 1.00 4.31 C ATOM 236 CG1 ILE A 14 10.760 10.437 2.815 1.00 4.96 C ATOM 237 CG2 ILE A 14 9.023 10.811 4.592 1.00 4.85 C ATOM 238 CD1 ILE A 14 10.386 11.636 1.969 1.00 5.69 C ATOM 0 H ILE A 14 9.901 7.064 2.766 1.00 3.29 H new ATOM 0 HA ILE A 14 10.778 8.747 5.005 1.00 3.41 H new ATOM 0 HB ILE A 14 8.789 9.594 2.856 1.00 4.31 H new ATOM 0 HG12 ILE A 14 11.525 10.734 3.532 1.00 4.96 H new ATOM 0 HG13 ILE A 14 11.203 9.675 2.174 1.00 4.96 H new ATOM 0 HG21 ILE A 14 8.725 11.728 4.084 1.00 4.85 H new ATOM 0 HG22 ILE A 14 8.158 10.374 5.090 1.00 4.85 H new ATOM 0 HG23 ILE A 14 9.790 11.039 5.332 1.00 4.85 H new ATOM 0 HD11 ILE A 14 11.274 12.015 1.463 1.00 5.69 H new ATOM 0 HD12 ILE A 14 9.644 11.341 1.228 1.00 5.69 H new ATOM 0 HD13 ILE A 14 9.971 12.416 2.607 1.00 5.69 H new ATOM 250 N SER A 15 7.696 7.774 4.238 1.00 2.93 N ATOM 251 CA SER A 15 6.471 7.206 4.787 1.00 3.17 C ATOM 252 C SER A 15 6.183 5.839 4.173 1.00 3.04 C ATOM 253 O SER A 15 6.339 5.645 2.967 1.00 3.46 O ATOM 254 CB SER A 15 5.291 8.147 4.542 1.00 3.92 C ATOM 255 OG SER A 15 5.094 8.370 3.156 1.00 4.48 O ATOM 0 H SER A 15 7.630 8.050 3.258 1.00 2.93 H new ATOM 0 HA SER A 15 6.608 7.081 5.861 1.00 3.17 H new ATOM 0 HB2 SER A 15 4.387 7.722 4.977 1.00 3.92 H new ATOM 0 HB3 SER A 15 5.470 9.098 5.044 1.00 3.92 H new ATOM 0 HG SER A 15 4.333 8.973 3.027 1.00 4.48 H new ATOM 261 N THR A 16 5.766 4.895 5.011 1.00 3.11 N ATOM 262 CA THR A 16 5.457 3.547 4.554 1.00 3.49 C ATOM 263 C THR A 16 4.015 3.450 4.062 1.00 3.37 C ATOM 264 O THR A 16 3.652 2.507 3.358 1.00 3.91 O ATOM 265 CB THR A 16 5.675 2.512 5.672 1.00 4.41 C ATOM 266 OG1 THR A 16 5.360 1.198 5.195 1.00 5.01 O ATOM 267 CG2 THR A 16 4.814 2.836 6.884 1.00 4.91 C ATOM 0 H THR A 16 5.634 5.040 6.012 1.00 3.11 H new ATOM 0 HA THR A 16 6.136 3.329 3.729 1.00 3.49 H new ATOM 0 HB THR A 16 6.723 2.548 5.969 1.00 4.41 H new ATOM 0 HG1 THR A 16 4.712 1.262 4.462 1.00 5.01 H new ATOM 0 HG21 THR A 16 4.985 2.091 7.661 1.00 4.91 H new ATOM 0 HG22 THR A 16 5.077 3.823 7.264 1.00 4.91 H new ATOM 0 HG23 THR A 16 3.763 2.826 6.597 1.00 4.91 H new ATOM 275 N SER A 17 3.200 4.431 4.437 1.00 3.24 N ATOM 276 CA SER A 17 1.798 4.456 4.038 1.00 3.69 C ATOM 277 C SER A 17 1.536 5.568 3.027 1.00 3.45 C ATOM 278 O SER A 17 2.371 6.453 2.833 1.00 3.97 O ATOM 279 CB SER A 17 0.902 4.643 5.264 1.00 4.53 C ATOM 280 OG SER A 17 1.067 3.579 6.185 1.00 5.14 O ATOM 0 H SER A 17 3.487 5.219 5.017 1.00 3.24 H new ATOM 0 HA SER A 17 1.564 3.502 3.566 1.00 3.69 H new ATOM 0 HB2 SER A 17 1.139 5.589 5.751 1.00 4.53 H new ATOM 0 HB3 SER A 17 -0.141 4.698 4.951 1.00 4.53 H new ATOM 0 HG SER A 17 0.485 3.724 6.960 1.00 5.14 H new HETATM 286 N SEP A 18 0.369 5.511 2.387 1.00 3.24 N HETATM 287 CA SEP A 18 -0.025 6.511 1.393 1.00 3.51 C HETATM 288 CB SEP A 18 -0.350 7.843 2.076 1.00 4.22 C HETATM 289 OG SEP A 18 0.828 8.476 2.548 1.00 4.91 O HETATM 290 C SEP A 18 1.069 6.716 0.348 1.00 3.38 C HETATM 291 O SEP A 18 1.145 7.770 -0.285 1.00 3.80 O HETATM 292 P SEP A 18 0.434 9.527 3.702 1.00 5.94 P HETATM 293 O1P SEP A 18 -0.004 8.717 5.022 1.00 6.40 O HETATM 294 O2P SEP A 18 1.756 10.324 4.156 1.00 6.72 O HETATM 295 O3P SEP A 18 -0.509 10.669 3.069 1.00 6.40 O HETATM 0 HB3 SEP A 18 -0.863 8.500 1.373 1.00 4.22 H new HETATM 0 HB2 SEP A 18 -1.033 7.671 2.908 1.00 4.22 H new HETATM 0 HA SEP A 18 -0.916 6.141 0.886 1.00 3.51 H new ATOM 300 N SER A 19 1.909 5.701 0.161 1.00 3.41 N ATOM 301 CA SER A 19 2.996 5.775 -0.808 1.00 3.79 C ATOM 302 C SER A 19 2.526 5.345 -2.193 1.00 3.53 C ATOM 303 O SER A 19 2.540 6.135 -3.137 1.00 4.02 O ATOM 304 CB SER A 19 4.168 4.900 -0.359 1.00 4.61 C ATOM 305 OG SER A 19 3.763 3.553 -0.194 1.00 5.16 O ATOM 0 H SER A 19 1.857 4.818 0.669 1.00 3.41 H new ATOM 0 HA SER A 19 3.326 6.812 -0.865 1.00 3.79 H new ATOM 0 HB2 SER A 19 4.970 4.955 -1.095 1.00 4.61 H new ATOM 0 HB3 SER A 19 4.571 5.280 0.580 1.00 4.61 H new ATOM 0 HG SER A 19 4.530 3.014 0.092 1.00 5.16 H new ATOM 311 N SER A 20 2.111 4.088 -2.306 1.00 3.31 N ATOM 312 CA SER A 20 1.638 3.550 -3.576 1.00 3.51 C ATOM 313 C SER A 20 0.663 2.400 -3.351 1.00 3.30 C ATOM 314 O SER A 20 0.974 1.438 -2.649 1.00 3.79 O ATOM 315 CB SER A 20 2.820 3.072 -4.423 1.00 4.38 C ATOM 316 OG SER A 20 3.710 4.136 -4.706 1.00 4.81 O ATOM 0 H SER A 20 2.093 3.423 -1.533 1.00 3.31 H new ATOM 0 HA SER A 20 1.116 4.346 -4.107 1.00 3.51 H new ATOM 0 HB2 SER A 20 3.352 2.280 -3.896 1.00 4.38 H new ATOM 0 HB3 SER A 20 2.453 2.644 -5.356 1.00 4.38 H new ATOM 0 HG SER A 20 4.456 3.803 -5.247 1.00 4.81 H new ATOM 322 N ILE A 21 -0.519 2.510 -3.954 1.00 3.09 N ATOM 323 CA ILE A 21 -1.546 1.482 -3.825 1.00 3.24 C ATOM 324 C ILE A 21 -1.922 1.257 -2.364 1.00 2.99 C ATOM 325 O ILE A 21 -1.287 0.470 -1.661 1.00 3.33 O ATOM 326 CB ILE A 21 -1.089 0.146 -4.441 1.00 4.14 C ATOM 327 CG1 ILE A 21 -0.590 0.363 -5.872 1.00 4.88 C ATOM 328 CG2 ILE A 21 -2.229 -0.865 -4.417 1.00 4.64 C ATOM 329 CD1 ILE A 21 0.028 -0.871 -6.494 1.00 5.67 C ATOM 0 H ILE A 21 -0.788 3.302 -4.537 1.00 3.09 H new ATOM 0 HA ILE A 21 -2.420 1.841 -4.369 1.00 3.24 H new ATOM 0 HB ILE A 21 -0.266 -0.250 -3.846 1.00 4.14 H new ATOM 0 HG12 ILE A 21 -1.424 0.693 -6.492 1.00 4.88 H new ATOM 0 HG13 ILE A 21 0.146 1.167 -5.873 1.00 4.88 H new ATOM 0 HG21 ILE A 21 -1.892 -1.804 -4.855 1.00 4.64 H new ATOM 0 HG22 ILE A 21 -2.541 -1.037 -3.387 1.00 4.64 H new ATOM 0 HG23 ILE A 21 -3.071 -0.478 -4.992 1.00 4.64 H new ATOM 0 HD11 ILE A 21 0.358 -0.641 -7.507 1.00 5.67 H new ATOM 0 HD12 ILE A 21 0.883 -1.190 -5.897 1.00 5.67 H new ATOM 0 HD13 ILE A 21 -0.711 -1.671 -6.526 1.00 5.67 H new ATOM 341 N SER A 22 -2.957 1.959 -1.910 1.00 3.04 N ATOM 342 CA SER A 22 -3.422 1.835 -0.533 1.00 3.37 C ATOM 343 C SER A 22 -4.945 1.864 -0.471 1.00 3.04 C ATOM 344 O SER A 22 -5.567 1.004 0.148 1.00 3.30 O ATOM 345 CB SER A 22 -2.846 2.964 0.323 1.00 4.25 C ATOM 346 OG SER A 22 -3.285 2.860 1.667 1.00 4.88 O ATOM 0 H SER A 22 -3.489 2.620 -2.476 1.00 3.04 H new ATOM 0 HA SER A 22 -3.077 0.878 -0.142 1.00 3.37 H new ATOM 0 HB2 SER A 22 -1.757 2.931 0.289 1.00 4.25 H new ATOM 0 HB3 SER A 22 -3.149 3.927 -0.088 1.00 4.25 H new ATOM 0 HG SER A 22 -2.902 3.592 2.194 1.00 4.88 H new ATOM 352 N SER A 23 -5.536 2.864 -1.121 1.00 3.13 N ATOM 353 CA SER A 23 -6.986 3.013 -1.141 1.00 3.35 C ATOM 354 C SER A 23 -7.532 2.828 -2.554 1.00 3.36 C ATOM 355 O SER A 23 -6.777 2.602 -3.498 1.00 3.88 O ATOM 356 CB SER A 23 -7.384 4.389 -0.607 1.00 4.13 C ATOM 357 OG SER A 23 -6.807 5.424 -1.383 1.00 4.88 O ATOM 0 H SER A 23 -5.031 3.582 -1.640 1.00 3.13 H new ATOM 0 HA SER A 23 -7.415 2.243 -0.500 1.00 3.35 H new ATOM 0 HB2 SER A 23 -8.470 4.486 -0.616 1.00 4.13 H new ATOM 0 HB3 SER A 23 -7.064 4.486 0.430 1.00 4.13 H new ATOM 0 HG SER A 23 -7.078 6.294 -1.022 1.00 4.88 H new ATOM 363 N SER A 24 -8.855 2.924 -2.686 1.00 3.40 N ATOM 364 CA SER A 24 -9.513 2.768 -3.978 1.00 3.90 C ATOM 365 C SER A 24 -9.183 1.415 -4.602 1.00 3.96 C ATOM 366 O SER A 24 -8.620 0.539 -3.946 1.00 4.39 O ATOM 367 CB SER A 24 -9.103 3.896 -4.929 1.00 4.61 C ATOM 368 OG SER A 24 -9.430 5.164 -4.389 1.00 5.15 O ATOM 0 H SER A 24 -9.491 3.110 -1.911 1.00 3.40 H new ATOM 0 HA SER A 24 -10.589 2.817 -3.812 1.00 3.90 H new ATOM 0 HB2 SER A 24 -8.031 3.844 -5.119 1.00 4.61 H new ATOM 0 HB3 SER A 24 -9.603 3.766 -5.889 1.00 4.61 H new ATOM 0 HG SER A 24 -9.156 5.867 -5.015 1.00 5.15 H new ATOM 374 N GLU A 25 -9.543 1.253 -5.874 1.00 4.07 N ATOM 375 CA GLU A 25 -9.291 0.009 -6.595 1.00 4.62 C ATOM 376 C GLU A 25 -9.942 -1.175 -5.886 1.00 4.68 C ATOM 377 O GLU A 25 -9.373 -1.743 -4.955 1.00 5.17 O ATOM 378 CB GLU A 25 -7.784 -0.226 -6.740 1.00 5.35 C ATOM 379 CG GLU A 25 -7.435 -1.489 -7.514 1.00 5.98 C ATOM 380 CD GLU A 25 -5.940 -1.691 -7.651 1.00 6.66 C ATOM 381 OE1 GLU A 25 -5.338 -2.300 -6.744 1.00 7.09 O ATOM 382 OE2 GLU A 25 -5.371 -1.242 -8.669 1.00 7.02 O ATOM 0 H GLU A 25 -10.011 1.971 -6.427 1.00 4.07 H new ATOM 0 HA GLU A 25 -9.733 0.098 -7.588 1.00 4.62 H new ATOM 0 HB2 GLU A 25 -7.338 0.632 -7.242 1.00 5.35 H new ATOM 0 HB3 GLU A 25 -7.337 -0.283 -5.748 1.00 5.35 H new ATOM 0 HG2 GLU A 25 -7.870 -2.352 -7.010 1.00 5.98 H new ATOM 0 HG3 GLU A 25 -7.884 -1.439 -8.506 1.00 5.98 H new ATOM 389 N GLU A 26 -11.139 -1.538 -6.336 1.00 4.59 N ATOM 390 CA GLU A 26 -11.872 -2.653 -5.745 1.00 4.97 C ATOM 391 C GLU A 26 -11.076 -3.948 -5.869 1.00 5.28 C ATOM 392 O GLU A 26 -10.488 -4.228 -6.913 1.00 5.48 O ATOM 393 CB GLU A 26 -13.233 -2.813 -6.425 1.00 5.48 C ATOM 394 CG GLU A 26 -14.133 -3.834 -5.752 1.00 6.31 C ATOM 395 CD GLU A 26 -15.463 -4.000 -6.461 1.00 7.06 C ATOM 396 OE1 GLU A 26 -16.361 -3.159 -6.246 1.00 7.57 O ATOM 397 OE2 GLU A 26 -15.608 -4.972 -7.232 1.00 7.35 O ATOM 0 H GLU A 26 -11.622 -1.077 -7.107 1.00 4.59 H new ATOM 0 HA GLU A 26 -12.025 -2.438 -4.688 1.00 4.97 H new ATOM 0 HB2 GLU A 26 -13.739 -1.848 -6.438 1.00 5.48 H new ATOM 0 HB3 GLU A 26 -13.079 -3.106 -7.464 1.00 5.48 H new ATOM 0 HG2 GLU A 26 -13.622 -4.796 -5.718 1.00 6.31 H new ATOM 0 HG3 GLU A 26 -14.311 -3.531 -4.720 1.00 6.31 H new ATOM 404 N ASN A 27 -11.058 -4.733 -4.796 1.00 5.74 N ATOM 405 CA ASN A 27 -10.329 -5.996 -4.789 1.00 6.47 C ATOM 406 C ASN A 27 -11.060 -7.054 -3.968 1.00 6.96 C ATOM 407 O ASN A 27 -10.510 -8.113 -3.671 1.00 7.28 O ATOM 408 CB ASN A 27 -8.915 -5.789 -4.243 1.00 7.13 C ATOM 409 CG ASN A 27 -8.904 -5.075 -2.903 1.00 7.39 C ATOM 410 OD1 ASN A 27 -9.822 -5.227 -2.098 1.00 7.45 O ATOM 411 ND2 ASN A 27 -7.862 -4.288 -2.663 1.00 7.88 N ATOM 0 H ASN A 27 -11.539 -4.517 -3.923 1.00 5.74 H new ATOM 0 HA ASN A 27 -10.266 -6.352 -5.817 1.00 6.47 H new ATOM 0 HB2 ASN A 27 -8.425 -6.757 -4.139 1.00 7.13 H new ATOM 0 HB3 ASN A 27 -8.333 -5.213 -4.962 1.00 7.13 H new ATOM 0 HD21 ASN A 27 -7.800 -3.779 -1.781 1.00 7.88 H new ATOM 0 HD22 ASN A 27 -7.124 -4.192 -3.360 1.00 7.88 H new ATOM 418 N ASP A 28 -12.306 -6.759 -3.607 1.00 7.36 N ATOM 419 CA ASP A 28 -13.115 -7.687 -2.822 1.00 8.13 C ATOM 420 C ASP A 28 -13.559 -8.874 -3.671 1.00 8.78 C ATOM 421 O ASP A 28 -14.654 -8.869 -4.236 1.00 8.92 O ATOM 422 CB ASP A 28 -14.338 -6.974 -2.242 1.00 8.07 C ATOM 423 CG ASP A 28 -13.967 -5.956 -1.181 1.00 8.34 C ATOM 424 OD1 ASP A 28 -13.713 -4.788 -1.542 1.00 8.25 O ATOM 425 OD2 ASP A 28 -13.930 -6.329 0.010 1.00 8.86 O ATOM 0 H ASP A 28 -12.777 -5.886 -3.845 1.00 7.36 H new ATOM 0 HA ASP A 28 -12.500 -8.058 -2.002 1.00 8.13 H new ATOM 0 HB2 ASP A 28 -14.879 -6.475 -3.046 1.00 8.07 H new ATOM 0 HB3 ASP A 28 -15.015 -7.712 -1.812 1.00 8.07 H new ATOM 430 N PHE A 29 -12.699 -9.886 -3.761 1.00 9.40 N ATOM 431 CA PHE A 29 -13.002 -11.083 -4.544 1.00 10.21 C ATOM 432 C PHE A 29 -11.910 -12.136 -4.368 1.00 10.89 C ATOM 433 O PHE A 29 -12.173 -13.337 -4.445 1.00 11.63 O ATOM 434 CB PHE A 29 -13.157 -10.725 -6.027 1.00 10.26 C ATOM 435 CG PHE A 29 -14.004 -11.699 -6.801 1.00 10.82 C ATOM 436 CD1 PHE A 29 -15.308 -11.961 -6.415 1.00 11.17 C ATOM 437 CD2 PHE A 29 -13.494 -12.355 -7.910 1.00 11.23 C ATOM 438 CE1 PHE A 29 -16.090 -12.856 -7.121 1.00 11.89 C ATOM 439 CE2 PHE A 29 -14.268 -13.252 -8.620 1.00 11.94 C ATOM 440 CZ PHE A 29 -15.573 -13.492 -8.235 1.00 12.27 C ATOM 0 H PHE A 29 -11.788 -9.902 -3.302 1.00 9.40 H new ATOM 0 HA PHE A 29 -13.942 -11.498 -4.182 1.00 10.21 H new ATOM 0 HB2 PHE A 29 -13.597 -9.731 -6.107 1.00 10.26 H new ATOM 0 HB3 PHE A 29 -12.169 -10.674 -6.484 1.00 10.26 H new ATOM 0 HD1 PHE A 29 -15.719 -11.460 -5.551 1.00 11.17 H new ATOM 0 HD2 PHE A 29 -12.478 -12.162 -8.223 1.00 11.23 H new ATOM 0 HE1 PHE A 29 -17.102 -13.058 -6.803 1.00 11.89 H new ATOM 0 HE2 PHE A 29 -13.854 -13.765 -9.475 1.00 11.94 H new ATOM 0 HZ PHE A 29 -16.188 -14.175 -8.803 1.00 12.27 H new ATOM 450 N TRP A 30 -10.687 -11.674 -4.130 1.00 10.80 N ATOM 451 CA TRP A 30 -9.549 -12.557 -3.934 1.00 11.62 C ATOM 452 C TRP A 30 -8.551 -11.923 -2.977 1.00 11.74 C ATOM 453 O TRP A 30 -8.302 -10.718 -3.025 1.00 11.80 O ATOM 454 CB TRP A 30 -8.852 -12.866 -5.259 1.00 11.83 C ATOM 455 CG TRP A 30 -9.653 -13.738 -6.173 1.00 12.25 C ATOM 456 CD1 TRP A 30 -10.303 -13.346 -7.303 1.00 11.96 C ATOM 457 CD2 TRP A 30 -9.887 -15.144 -6.041 1.00 13.24 C ATOM 458 NE1 TRP A 30 -10.932 -14.420 -7.885 1.00 12.75 N ATOM 459 CE2 TRP A 30 -10.689 -15.536 -7.128 1.00 13.51 C ATOM 460 CE3 TRP A 30 -9.495 -16.110 -5.110 1.00 14.04 C ATOM 461 CZ2 TRP A 30 -11.108 -16.853 -7.309 1.00 14.52 C ATOM 462 CZ3 TRP A 30 -9.911 -17.416 -5.291 1.00 15.00 C ATOM 463 CH2 TRP A 30 -10.709 -17.778 -6.382 1.00 15.22 C ATOM 0 H TRP A 30 -10.460 -10.681 -4.068 1.00 10.80 H new ATOM 0 HA TRP A 30 -9.923 -13.490 -3.511 1.00 11.62 H new ATOM 0 HB2 TRP A 30 -8.629 -11.929 -5.769 1.00 11.83 H new ATOM 0 HB3 TRP A 30 -7.898 -13.351 -5.053 1.00 11.83 H new ATOM 0 HD1 TRP A 30 -10.322 -12.337 -7.687 1.00 11.96 H new ATOM 0 HE1 TRP A 30 -11.488 -14.391 -8.740 1.00 12.75 H new ATOM 0 HE3 TRP A 30 -8.879 -15.841 -4.265 1.00 14.04 H new ATOM 0 HZ2 TRP A 30 -11.725 -17.133 -8.150 1.00 14.52 H new ATOM 0 HZ3 TRP A 30 -9.615 -18.171 -4.577 1.00 15.00 H new ATOM 0 HH2 TRP A 30 -11.016 -18.807 -6.495 1.00 15.22 H new ATOM 474 N GLN A 31 -7.986 -12.745 -2.112 1.00 12.00 N ATOM 475 CA GLN A 31 -7.005 -12.277 -1.136 1.00 12.38 C ATOM 476 C GLN A 31 -5.795 -13.214 -1.072 1.00 12.61 C ATOM 477 O GLN A 31 -5.437 -13.704 0.000 1.00 13.31 O ATOM 478 CB GLN A 31 -7.654 -12.156 0.244 1.00 13.13 C ATOM 479 CG GLN A 31 -8.336 -13.433 0.707 1.00 13.49 C ATOM 480 CD GLN A 31 -8.950 -13.299 2.088 1.00 14.38 C ATOM 481 OE1 GLN A 31 -8.463 -12.538 2.925 1.00 14.83 O ATOM 482 NE2 GLN A 31 -10.024 -14.040 2.336 1.00 14.79 N ATOM 0 H GLN A 31 -8.187 -13.744 -2.061 1.00 12.00 H new ATOM 0 HA GLN A 31 -6.653 -11.295 -1.453 1.00 12.38 H new ATOM 0 HB2 GLN A 31 -6.892 -11.876 0.972 1.00 13.13 H new ATOM 0 HB3 GLN A 31 -8.387 -11.349 0.223 1.00 13.13 H new ATOM 0 HG2 GLN A 31 -9.113 -13.705 -0.007 1.00 13.49 H new ATOM 0 HG3 GLN A 31 -7.610 -14.246 0.713 1.00 13.49 H new ATOM 0 HE21 GLN A 31 -10.395 -14.658 1.614 1.00 14.79 H new ATOM 0 HE22 GLN A 31 -10.478 -13.991 3.248 1.00 14.79 H new ATOM 491 N PRO A 32 -5.140 -13.470 -2.223 1.00 12.22 N ATOM 492 CA PRO A 32 -3.969 -14.347 -2.287 1.00 12.64 C ATOM 493 C PRO A 32 -2.687 -13.630 -1.883 1.00 13.28 C ATOM 494 O PRO A 32 -2.663 -12.405 -1.754 1.00 13.53 O ATOM 495 CB PRO A 32 -3.921 -14.735 -3.763 1.00 12.20 C ATOM 496 CG PRO A 32 -4.477 -13.551 -4.479 1.00 11.50 C ATOM 497 CD PRO A 32 -5.489 -12.927 -3.551 1.00 11.56 C ATOM 0 HA PRO A 32 -4.045 -15.193 -1.604 1.00 12.64 H new ATOM 0 HB2 PRO A 32 -2.902 -14.950 -4.084 1.00 12.20 H new ATOM 0 HB3 PRO A 32 -4.512 -15.630 -3.957 1.00 12.20 H new ATOM 0 HG2 PRO A 32 -3.688 -12.841 -4.726 1.00 11.50 H new ATOM 0 HG3 PRO A 32 -4.943 -13.849 -5.418 1.00 11.50 H new ATOM 0 HD2 PRO A 32 -5.426 -11.839 -3.566 1.00 11.56 H new ATOM 0 HD3 PRO A 32 -6.507 -13.192 -3.835 1.00 11.56 H new ATOM 505 N LYS A 33 -1.620 -14.399 -1.683 1.00 13.73 N ATOM 506 CA LYS A 33 -0.334 -13.836 -1.297 1.00 14.53 C ATOM 507 C LYS A 33 0.363 -13.200 -2.501 1.00 14.94 C ATOM 508 O LYS A 33 0.141 -13.615 -3.638 1.00 14.74 O ATOM 509 CB LYS A 33 0.553 -14.924 -0.689 1.00 15.05 C ATOM 510 CG LYS A 33 0.817 -16.085 -1.633 1.00 15.26 C ATOM 511 CD LYS A 33 1.458 -17.253 -0.905 1.00 15.45 C ATOM 512 CE LYS A 33 1.861 -18.361 -1.866 1.00 15.92 C ATOM 513 NZ LYS A 33 0.680 -18.952 -2.557 1.00 15.96 N ATOM 0 H LYS A 33 -1.623 -15.414 -1.783 1.00 13.73 H new ATOM 0 HA LYS A 33 -0.507 -13.060 -0.552 1.00 14.53 H new ATOM 0 HB2 LYS A 33 1.505 -14.483 -0.393 1.00 15.05 H new ATOM 0 HB3 LYS A 33 0.081 -15.303 0.218 1.00 15.05 H new ATOM 0 HG2 LYS A 33 -0.120 -16.407 -2.088 1.00 15.26 H new ATOM 0 HG3 LYS A 33 1.468 -15.757 -2.443 1.00 15.26 H new ATOM 0 HD2 LYS A 33 2.336 -16.905 -0.361 1.00 15.45 H new ATOM 0 HD3 LYS A 33 0.761 -17.648 -0.166 1.00 15.45 H new ATOM 0 HE2 LYS A 33 2.555 -17.964 -2.607 1.00 15.92 H new ATOM 0 HE3 LYS A 33 2.390 -19.141 -1.319 1.00 15.92 H new ATOM 0 HZ1 LYS A 33 0.980 -19.779 -3.112 1.00 15.96 H new ATOM 0 HZ2 LYS A 33 -0.024 -19.246 -1.851 1.00 15.96 H new ATOM 0 HZ3 LYS A 33 0.259 -18.244 -3.192 1.00 15.96 H new ATOM 527 N PRO A 34 1.218 -12.184 -2.268 1.00 15.67 N ATOM 528 CA PRO A 34 1.941 -11.500 -3.346 1.00 16.28 C ATOM 529 C PRO A 34 2.842 -12.443 -4.128 1.00 16.68 C ATOM 530 O PRO A 34 3.354 -12.094 -5.193 1.00 17.30 O ATOM 531 CB PRO A 34 2.780 -10.444 -2.617 1.00 17.11 C ATOM 532 CG PRO A 34 2.133 -10.284 -1.283 1.00 17.01 C ATOM 533 CD PRO A 34 1.544 -11.623 -0.946 1.00 16.12 C ATOM 0 HA PRO A 34 1.256 -11.079 -4.083 1.00 16.28 H new ATOM 0 HB2 PRO A 34 3.817 -10.766 -2.516 1.00 17.11 H new ATOM 0 HB3 PRO A 34 2.790 -9.502 -3.165 1.00 17.11 H new ATOM 0 HG2 PRO A 34 2.860 -9.977 -0.531 1.00 17.01 H new ATOM 0 HG3 PRO A 34 1.361 -9.515 -1.313 1.00 17.01 H new ATOM 0 HD2 PRO A 34 2.252 -12.251 -0.405 1.00 16.12 H new ATOM 0 HD3 PRO A 34 0.658 -11.528 -0.318 1.00 16.12 H new ATOM 541 N THR A 35 3.026 -13.643 -3.590 1.00 16.46 N ATOM 542 CA THR A 35 3.863 -14.657 -4.223 1.00 16.96 C ATOM 543 C THR A 35 5.271 -14.128 -4.488 1.00 17.77 C ATOM 544 O THR A 35 6.124 -14.245 -3.582 1.00 18.01 O ATOM 545 CB THR A 35 3.246 -15.143 -5.550 1.00 16.93 C ATOM 546 OG1 THR A 35 1.910 -15.615 -5.324 1.00 16.96 O ATOM 547 CG2 THR A 35 4.081 -16.258 -6.164 1.00 16.89 C ATOM 548 OXT THR A 35 5.508 -13.603 -5.596 1.00 18.27 O ATOM 0 H THR A 35 2.604 -13.940 -2.710 1.00 16.46 H new ATOM 0 HA THR A 35 3.923 -15.496 -3.530 1.00 16.96 H new ATOM 0 HB THR A 35 3.226 -14.302 -6.243 1.00 16.93 H new ATOM 0 HG1 THR A 35 1.369 -14.894 -4.939 1.00 16.96 H new ATOM 0 HG21 THR A 35 3.624 -16.582 -7.099 1.00 16.89 H new ATOM 0 HG22 THR A 35 5.089 -15.892 -6.361 1.00 16.89 H new ATOM 0 HG23 THR A 35 4.129 -17.099 -5.473 1.00 16.89 H new TER 556 THR A 35