USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 CYS SG : rot 180:sc= 0.0153 USER MOD Set 1.2: A 48 THR OG1 : rot 160:sc= 0.0469 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.0106 (180deg=-0.287) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 160:sc= -2.19 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.775 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 10:sc= 0.924 USER MOD Single : A 42 SER OG : rot 180:sc= -0.189 USER MOD Single : A 46 MET CE :methyl -164:sc= 0 (180deg=-0.0167) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -120:sc= -1.52 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.784 USER MOD Single : A 79 ASN : amide:sc= -2.42 K(o=-2.4,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.496 15.205 -7.514 1.00 0.00 N ATOM 2 CA MET A 1 -11.352 15.866 -8.204 1.00 0.00 C ATOM 3 C MET A 1 -10.072 15.629 -7.407 1.00 0.00 C ATOM 4 O MET A 1 -9.203 16.497 -7.332 1.00 0.00 O ATOM 5 CB MET A 1 -11.618 17.370 -8.304 1.00 0.00 C ATOM 6 CG MET A 1 -12.427 17.663 -9.569 1.00 0.00 C ATOM 7 SD MET A 1 -12.453 19.448 -9.868 1.00 0.00 S ATOM 8 CE MET A 1 -14.132 19.541 -10.537 1.00 0.00 C ATOM 0 H1 MET A 1 -13.391 15.568 -7.900 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.445 14.177 -7.664 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.451 15.408 -6.495 1.00 0.00 H new ATOM 0 HA MET A 1 -11.240 15.448 -9.205 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.162 17.713 -7.424 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.675 17.916 -8.328 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.987 17.147 -10.422 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.444 17.287 -9.458 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.364 20.574 -10.795 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.203 18.920 -11.430 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.842 19.185 -9.790 1.00 0.00 H new ATOM 20 N ALA A 2 -9.968 14.444 -6.812 1.00 0.00 N ATOM 21 CA ALA A 2 -8.790 14.103 -6.019 1.00 0.00 C ATOM 22 C ALA A 2 -8.231 12.747 -6.441 1.00 0.00 C ATOM 23 O ALA A 2 -8.883 11.984 -7.154 1.00 0.00 O ATOM 24 CB ALA A 2 -9.144 14.056 -4.531 1.00 0.00 C ATOM 0 H ALA A 2 -10.676 13.711 -6.862 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.037 14.872 -6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.256 13.801 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.515 15.031 -4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.914 13.303 -4.364 1.00 0.00 H new ATOM 30 N THR A 3 -7.013 12.460 -5.990 1.00 0.00 N ATOM 31 CA THR A 3 -6.363 11.193 -6.322 1.00 0.00 C ATOM 32 C THR A 3 -5.653 10.626 -5.096 1.00 0.00 C ATOM 33 O THR A 3 -5.030 11.359 -4.329 1.00 0.00 O ATOM 34 CB THR A 3 -5.338 11.398 -7.440 1.00 0.00 C ATOM 35 OG1 THR A 3 -5.936 12.135 -8.498 1.00 0.00 O ATOM 36 CG2 THR A 3 -4.870 10.040 -7.963 1.00 0.00 C ATOM 0 H THR A 3 -6.459 13.080 -5.399 1.00 0.00 H new ATOM 0 HA THR A 3 -7.130 10.494 -6.655 1.00 0.00 H new ATOM 0 HB THR A 3 -4.481 11.948 -7.051 1.00 0.00 H new ATOM 0 HG1 THR A 3 -5.281 12.269 -9.214 1.00 0.00 H new ATOM 0 HG21 THR A 3 -4.140 10.188 -8.759 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.411 9.476 -7.151 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.724 9.486 -8.353 1.00 0.00 H new ATOM 44 N LEU A 4 -5.755 9.311 -4.920 1.00 0.00 N ATOM 45 CA LEU A 4 -5.117 8.659 -3.780 1.00 0.00 C ATOM 46 C LEU A 4 -4.850 7.186 -4.078 1.00 0.00 C ATOM 47 O LEU A 4 -5.521 6.571 -4.905 1.00 0.00 O ATOM 48 CB LEU A 4 -6.001 8.767 -2.533 1.00 0.00 C ATOM 49 CG LEU A 4 -7.376 8.147 -2.806 1.00 0.00 C ATOM 50 CD1 LEU A 4 -7.972 7.639 -1.492 1.00 0.00 C ATOM 51 CD2 LEU A 4 -8.307 9.203 -3.414 1.00 0.00 C ATOM 0 H LEU A 4 -6.265 8.684 -5.542 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.169 9.165 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.524 8.259 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.115 9.813 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.267 7.317 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.950 7.197 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.312 6.887 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.079 8.471 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.284 8.759 -3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.417 10.035 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.883 9.567 -4.350 1.00 0.00 H new ATOM 63 N LEU A 5 -3.861 6.632 -3.385 1.00 0.00 N ATOM 64 CA LEU A 5 -3.500 5.230 -3.568 1.00 0.00 C ATOM 65 C LEU A 5 -4.088 4.394 -2.440 1.00 0.00 C ATOM 66 O LEU A 5 -3.421 4.102 -1.449 1.00 0.00 O ATOM 67 CB LEU A 5 -1.971 5.076 -3.576 1.00 0.00 C ATOM 68 CG LEU A 5 -1.392 5.339 -4.983 1.00 0.00 C ATOM 69 CD1 LEU A 5 -1.640 4.125 -5.878 1.00 0.00 C ATOM 70 CD2 LEU A 5 -2.041 6.577 -5.623 1.00 0.00 C ATOM 0 H LEU A 5 -3.297 7.129 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.900 4.885 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.529 5.771 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.702 4.071 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.321 5.517 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.230 4.314 -6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.155 3.249 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.712 3.944 -5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.615 6.740 -6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.116 6.420 -5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.852 7.450 -4.999 1.00 0.00 H new ATOM 82 N THR A 6 -5.352 4.024 -2.599 1.00 0.00 N ATOM 83 CA THR A 6 -6.034 3.228 -1.582 1.00 0.00 C ATOM 84 C THR A 6 -5.935 1.741 -1.905 1.00 0.00 C ATOM 85 O THR A 6 -5.402 1.346 -2.944 1.00 0.00 O ATOM 86 CB THR A 6 -7.515 3.621 -1.496 1.00 0.00 C ATOM 87 OG1 THR A 6 -7.680 4.950 -1.968 1.00 0.00 O ATOM 88 CG2 THR A 6 -7.997 3.534 -0.043 1.00 0.00 C ATOM 0 H THR A 6 -5.922 4.258 -3.412 1.00 0.00 H new ATOM 0 HA THR A 6 -5.548 3.423 -0.626 1.00 0.00 H new ATOM 0 HB THR A 6 -8.102 2.937 -2.110 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.617 5.095 -2.217 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.049 3.815 0.009 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.875 2.514 0.320 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.410 4.212 0.576 1.00 0.00 H new ATOM 96 N THR A 7 -6.459 0.922 -0.998 1.00 0.00 N ATOM 97 CA THR A 7 -6.439 -0.526 -1.184 1.00 0.00 C ATOM 98 C THR A 7 -7.181 -0.899 -2.463 1.00 0.00 C ATOM 99 O THR A 7 -6.741 -1.751 -3.229 1.00 0.00 O ATOM 100 CB THR A 7 -7.101 -1.227 0.002 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.513 -0.767 1.212 1.00 0.00 O ATOM 102 CG2 THR A 7 -6.903 -2.735 -0.124 1.00 0.00 C ATOM 0 H THR A 7 -6.900 1.233 -0.132 1.00 0.00 H new ATOM 0 HA THR A 7 -5.400 -0.847 -1.256 1.00 0.00 H new ATOM 0 HB THR A 7 -8.168 -1.002 0.010 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.938 -1.215 1.973 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.375 -3.236 0.721 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.355 -3.085 -1.052 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.837 -2.963 -0.132 1.00 0.00 H new ATOM 110 N ASP A 8 -8.309 -0.235 -2.688 1.00 0.00 N ATOM 111 CA ASP A 8 -9.106 -0.487 -3.886 1.00 0.00 C ATOM 112 C ASP A 8 -8.284 -0.184 -5.138 1.00 0.00 C ATOM 113 O ASP A 8 -8.476 -0.798 -6.185 1.00 0.00 O ATOM 114 CB ASP A 8 -10.359 0.390 -3.890 1.00 0.00 C ATOM 115 CG ASP A 8 -11.427 -0.253 -4.769 1.00 0.00 C ATOM 116 OD1 ASP A 8 -12.033 -1.214 -4.325 1.00 0.00 O ATOM 117 OD2 ASP A 8 -11.623 0.226 -5.874 1.00 0.00 O ATOM 0 H ASP A 8 -8.691 0.476 -2.064 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.400 -1.537 -3.884 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.734 0.512 -2.874 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.118 1.386 -4.262 1.00 0.00 H new ATOM 122 N ASP A 9 -7.366 0.773 -5.013 1.00 0.00 N ATOM 123 CA ASP A 9 -6.517 1.155 -6.139 1.00 0.00 C ATOM 124 C ASP A 9 -5.581 0.010 -6.522 1.00 0.00 C ATOM 125 O ASP A 9 -5.471 -0.350 -7.694 1.00 0.00 O ATOM 126 CB ASP A 9 -5.668 2.383 -5.789 1.00 0.00 C ATOM 127 CG ASP A 9 -5.097 2.985 -7.068 1.00 0.00 C ATOM 128 OD1 ASP A 9 -4.690 2.222 -7.927 1.00 0.00 O ATOM 129 OD2 ASP A 9 -5.078 4.201 -7.169 1.00 0.00 O ATOM 0 H ASP A 9 -7.192 1.293 -4.153 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.173 1.390 -6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.275 3.122 -5.266 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.860 2.100 -5.115 1.00 0.00 H new ATOM 134 N LEU A 10 -4.896 -0.549 -5.525 1.00 0.00 N ATOM 135 CA LEU A 10 -3.959 -1.645 -5.784 1.00 0.00 C ATOM 136 C LEU A 10 -4.695 -2.895 -6.296 1.00 0.00 C ATOM 137 O LEU A 10 -4.119 -3.724 -7.002 1.00 0.00 O ATOM 138 CB LEU A 10 -3.132 -1.968 -4.511 1.00 0.00 C ATOM 139 CG LEU A 10 -3.869 -2.948 -3.577 1.00 0.00 C ATOM 140 CD1 LEU A 10 -3.381 -4.373 -3.844 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.586 -2.586 -2.118 1.00 0.00 C ATOM 0 H LEU A 10 -4.968 -0.269 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.270 -1.324 -6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.172 -2.396 -4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.920 -1.044 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.941 -2.884 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.902 -5.066 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.584 -4.639 -4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.309 -4.431 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.109 -3.282 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.514 -2.646 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.933 -1.572 -1.921 1.00 0.00 H new ATOM 153 N ARG A 11 -5.966 -3.021 -5.921 1.00 0.00 N ATOM 154 CA ARG A 11 -6.766 -4.173 -6.333 1.00 0.00 C ATOM 155 C ARG A 11 -7.036 -4.146 -7.833 1.00 0.00 C ATOM 156 O ARG A 11 -6.686 -5.076 -8.556 1.00 0.00 O ATOM 157 CB ARG A 11 -8.104 -4.181 -5.590 1.00 0.00 C ATOM 158 CG ARG A 11 -8.555 -5.624 -5.359 1.00 0.00 C ATOM 159 CD ARG A 11 -10.012 -5.635 -4.894 1.00 0.00 C ATOM 160 NE ARG A 11 -10.916 -5.480 -6.031 1.00 0.00 N ATOM 161 CZ ARG A 11 -11.819 -4.502 -6.060 1.00 0.00 C ATOM 162 NH1 ARG A 11 -12.671 -4.370 -5.081 1.00 0.00 N ATOM 163 NH2 ARG A 11 -11.851 -3.676 -7.070 1.00 0.00 N ATOM 0 H ARG A 11 -6.461 -2.346 -5.338 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.200 -5.072 -6.090 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.005 -3.663 -4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.855 -3.643 -6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.451 -6.200 -6.278 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.920 -6.099 -4.611 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.227 -6.570 -4.376 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.177 -4.829 -4.179 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.855 -6.131 -6.814 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.646 -5.016 -4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.362 -3.620 -5.104 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.185 -3.780 -7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.542 -2.926 -7.094 1.00 0.00 H new ATOM 177 N ARG A 12 -7.675 -3.074 -8.288 1.00 0.00 N ATOM 178 CA ARG A 12 -8.004 -2.934 -9.705 1.00 0.00 C ATOM 179 C ARG A 12 -6.738 -2.927 -10.562 1.00 0.00 C ATOM 180 O ARG A 12 -6.758 -3.337 -11.723 1.00 0.00 O ATOM 181 CB ARG A 12 -8.782 -1.632 -9.941 1.00 0.00 C ATOM 182 CG ARG A 12 -9.943 -1.888 -10.906 1.00 0.00 C ATOM 183 CD ARG A 12 -9.436 -1.815 -12.347 1.00 0.00 C ATOM 184 NE ARG A 12 -10.554 -1.789 -13.286 1.00 0.00 N ATOM 185 CZ ARG A 12 -11.188 -0.653 -13.568 1.00 0.00 C ATOM 186 NH1 ARG A 12 -10.645 0.211 -14.382 1.00 0.00 N ATOM 187 NH2 ARG A 12 -12.350 -0.404 -13.031 1.00 0.00 N ATOM 0 H ARG A 12 -7.974 -2.294 -7.703 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.619 -3.787 -9.993 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.162 -1.248 -8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.118 -0.870 -10.350 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.381 -2.867 -10.713 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.730 -1.150 -10.749 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.824 -0.923 -12.478 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.798 -2.673 -12.557 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.854 -2.655 -13.733 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.736 0.015 -14.801 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.130 1.082 -14.599 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.773 -1.080 -12.395 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.836 0.467 -13.247 1.00 0.00 H new ATOM 201 N ALA A 13 -5.637 -2.455 -9.982 1.00 0.00 N ATOM 202 CA ALA A 13 -4.370 -2.397 -10.710 1.00 0.00 C ATOM 203 C ALA A 13 -3.769 -3.793 -10.868 1.00 0.00 C ATOM 204 O ALA A 13 -3.063 -4.072 -11.838 1.00 0.00 O ATOM 205 CB ALA A 13 -3.370 -1.508 -9.971 1.00 0.00 C ATOM 0 H ALA A 13 -5.595 -2.111 -9.023 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.573 -1.980 -11.696 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.432 -1.476 -10.526 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.775 -0.500 -9.883 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.189 -1.914 -8.976 1.00 0.00 H new ATOM 211 N LEU A 14 -4.049 -4.664 -9.902 1.00 0.00 N ATOM 212 CA LEU A 14 -3.525 -6.027 -9.942 1.00 0.00 C ATOM 213 C LEU A 14 -4.343 -6.901 -10.889 1.00 0.00 C ATOM 214 O LEU A 14 -3.827 -7.850 -11.480 1.00 0.00 O ATOM 215 CB LEU A 14 -3.555 -6.648 -8.543 1.00 0.00 C ATOM 216 CG LEU A 14 -2.251 -6.319 -7.808 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.548 -6.046 -6.331 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.283 -7.502 -7.927 1.00 0.00 C ATOM 0 H LEU A 14 -4.629 -4.454 -9.090 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.498 -5.976 -10.302 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.407 -6.265 -7.982 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.681 -7.728 -8.616 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.798 -5.434 -8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.619 -5.812 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.233 -5.202 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.003 -6.929 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.356 -7.267 -7.404 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.736 -8.389 -7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.068 -7.692 -8.979 1.00 0.00 H new ATOM 230 N VAL A 15 -5.625 -6.574 -11.025 1.00 0.00 N ATOM 231 CA VAL A 15 -6.508 -7.340 -11.901 1.00 0.00 C ATOM 232 C VAL A 15 -6.231 -7.001 -13.364 1.00 0.00 C ATOM 233 O VAL A 15 -6.381 -7.844 -14.249 1.00 0.00 O ATOM 234 CB VAL A 15 -7.975 -7.034 -11.582 1.00 0.00 C ATOM 235 CG1 VAL A 15 -8.886 -7.955 -12.399 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.235 -7.267 -10.090 1.00 0.00 C ATOM 0 H VAL A 15 -6.073 -5.793 -10.546 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.316 -8.400 -11.733 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.185 -5.995 -11.835 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.928 -7.734 -12.169 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.707 -7.794 -13.462 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.672 -8.994 -12.149 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.279 -7.049 -9.864 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.019 -8.306 -9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.592 -6.612 -9.502 1.00 0.00 H new ATOM 246 N GLU A 16 -5.828 -5.757 -13.608 1.00 0.00 N ATOM 247 CA GLU A 16 -5.536 -5.315 -14.970 1.00 0.00 C ATOM 248 C GLU A 16 -4.410 -6.154 -15.577 1.00 0.00 C ATOM 249 O GLU A 16 -4.365 -6.373 -16.788 1.00 0.00 O ATOM 250 CB GLU A 16 -5.128 -3.832 -14.976 1.00 0.00 C ATOM 251 CG GLU A 16 -5.952 -3.067 -16.017 1.00 0.00 C ATOM 252 CD GLU A 16 -5.621 -3.587 -17.412 1.00 0.00 C ATOM 253 OE1 GLU A 16 -5.987 -4.713 -17.705 1.00 0.00 O ATOM 254 OE2 GLU A 16 -5.007 -2.850 -18.167 1.00 0.00 O ATOM 0 H GLU A 16 -5.697 -5.044 -12.890 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.438 -5.443 -15.568 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.283 -3.399 -13.988 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.066 -3.739 -15.201 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.016 -3.189 -15.815 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.736 -2.000 -15.954 1.00 0.00 H new ATOM 261 N CYS A 17 -3.503 -6.621 -14.721 1.00 0.00 N ATOM 262 CA CYS A 17 -2.381 -7.434 -15.184 1.00 0.00 C ATOM 263 C CYS A 17 -2.882 -8.715 -15.843 1.00 0.00 C ATOM 264 O CYS A 17 -2.598 -8.983 -17.010 1.00 0.00 O ATOM 265 CB CYS A 17 -1.466 -7.802 -14.012 1.00 0.00 C ATOM 266 SG CYS A 17 -0.504 -6.351 -13.520 1.00 0.00 S ATOM 0 H CYS A 17 -3.522 -6.453 -13.715 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.822 -6.847 -15.913 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.060 -8.160 -13.171 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.798 -8.614 -14.299 1.00 0.00 H new ATOM 0 HG CYS A 17 0.271 -6.662 -12.524 1.00 0.00 H new ATOM 272 N ALA A 18 -3.634 -9.505 -15.079 1.00 0.00 N ATOM 273 CA ALA A 18 -4.173 -10.759 -15.597 1.00 0.00 C ATOM 274 C ALA A 18 -5.606 -10.562 -16.084 1.00 0.00 C ATOM 275 O ALA A 18 -5.889 -10.652 -17.278 1.00 0.00 O ATOM 276 CB ALA A 18 -4.158 -11.838 -14.513 1.00 0.00 C ATOM 0 H ALA A 18 -3.881 -9.302 -14.111 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.546 -11.075 -16.431 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.563 -12.766 -14.917 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.134 -12.005 -14.180 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.766 -11.514 -13.669 1.00 0.00 H new ATOM 282 N GLY A 19 -6.506 -10.294 -15.143 1.00 0.00 N ATOM 283 CA GLY A 19 -7.911 -10.086 -15.484 1.00 0.00 C ATOM 284 C GLY A 19 -8.569 -11.401 -15.889 1.00 0.00 C ATOM 285 O GLY A 19 -8.611 -11.753 -17.068 1.00 0.00 O ATOM 0 H GLY A 19 -6.292 -10.216 -14.149 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.438 -9.658 -14.631 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.990 -9.368 -16.300 1.00 0.00 H new ATOM 289 N GLU A 20 -9.081 -12.122 -14.896 1.00 0.00 N ATOM 290 CA GLU A 20 -9.737 -13.400 -15.157 1.00 0.00 C ATOM 291 C GLU A 20 -10.799 -13.682 -14.100 1.00 0.00 C ATOM 292 O GLU A 20 -11.048 -14.831 -13.735 1.00 0.00 O ATOM 293 CB GLU A 20 -8.713 -14.533 -15.150 1.00 0.00 C ATOM 294 CG GLU A 20 -7.932 -14.512 -13.834 1.00 0.00 C ATOM 295 CD GLU A 20 -6.785 -15.514 -13.909 1.00 0.00 C ATOM 296 OE1 GLU A 20 -5.863 -15.272 -14.670 1.00 0.00 O ATOM 297 OE2 GLU A 20 -6.844 -16.507 -13.203 1.00 0.00 O ATOM 0 H GLU A 20 -9.056 -11.848 -13.914 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.210 -13.342 -16.137 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.216 -15.492 -15.270 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.029 -14.424 -15.992 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.543 -13.511 -13.645 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.592 -14.760 -13.003 1.00 0.00 H new ATOM 304 N THR A 21 -11.422 -12.615 -13.620 1.00 0.00 N ATOM 305 CA THR A 21 -12.464 -12.740 -12.604 1.00 0.00 C ATOM 306 C THR A 21 -13.091 -11.383 -12.317 1.00 0.00 C ATOM 307 O THR A 21 -12.430 -10.466 -11.828 1.00 0.00 O ATOM 308 CB THR A 21 -11.890 -13.303 -11.302 1.00 0.00 C ATOM 309 OG1 THR A 21 -12.879 -13.235 -10.284 1.00 0.00 O ATOM 310 CG2 THR A 21 -10.667 -12.488 -10.880 1.00 0.00 C ATOM 0 H THR A 21 -11.228 -11.658 -13.914 1.00 0.00 H new ATOM 0 HA THR A 21 -13.222 -13.422 -12.989 1.00 0.00 H new ATOM 0 HB THR A 21 -11.593 -14.340 -11.457 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.515 -13.596 -9.449 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.262 -12.893 -9.953 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.908 -12.540 -11.661 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.958 -11.449 -10.726 1.00 0.00 H new ATOM 318 N ASP A 22 -14.378 -11.265 -12.626 1.00 0.00 N ATOM 319 CA ASP A 22 -15.092 -10.014 -12.393 1.00 0.00 C ATOM 320 C ASP A 22 -15.898 -10.094 -11.099 1.00 0.00 C ATOM 321 O ASP A 22 -16.937 -9.447 -10.960 1.00 0.00 O ATOM 322 CB ASP A 22 -16.043 -9.717 -13.555 1.00 0.00 C ATOM 323 CG ASP A 22 -15.264 -9.070 -14.696 1.00 0.00 C ATOM 324 OD1 ASP A 22 -14.182 -9.549 -14.995 1.00 0.00 O ATOM 325 OD2 ASP A 22 -15.762 -8.107 -15.256 1.00 0.00 O ATOM 0 H ASP A 22 -14.943 -12.010 -13.033 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.355 -9.215 -12.313 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -16.514 -10.638 -13.898 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.843 -9.054 -13.224 1.00 0.00 H new ATOM 330 N GLY A 23 -15.410 -10.894 -10.152 1.00 0.00 N ATOM 331 CA GLY A 23 -16.098 -11.048 -8.874 1.00 0.00 C ATOM 332 C GLY A 23 -15.128 -10.869 -7.711 1.00 0.00 C ATOM 333 O GLY A 23 -14.369 -9.901 -7.658 1.00 0.00 O ATOM 0 H GLY A 23 -14.552 -11.438 -10.244 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.902 -10.316 -8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.559 -12.034 -8.821 1.00 0.00 H new ATOM 337 N THR A 24 -15.164 -11.819 -6.781 1.00 0.00 N ATOM 338 CA THR A 24 -14.286 -11.769 -5.614 1.00 0.00 C ATOM 339 C THR A 24 -14.242 -13.133 -4.933 1.00 0.00 C ATOM 340 O THR A 24 -15.276 -13.714 -4.605 1.00 0.00 O ATOM 341 CB THR A 24 -14.777 -10.721 -4.603 1.00 0.00 C ATOM 342 OG1 THR A 24 -15.605 -9.772 -5.260 1.00 0.00 O ATOM 343 CG2 THR A 24 -13.577 -10.005 -3.980 1.00 0.00 C ATOM 0 H THR A 24 -15.786 -12.627 -6.811 1.00 0.00 H new ATOM 0 HA THR A 24 -13.289 -11.493 -5.956 1.00 0.00 H new ATOM 0 HB THR A 24 -15.349 -11.219 -3.820 1.00 0.00 H new ATOM 0 HG1 THR A 24 -15.917 -9.106 -4.612 1.00 0.00 H new ATOM 0 HG21 THR A 24 -13.928 -9.262 -3.264 1.00 0.00 H new ATOM 0 HG22 THR A 24 -12.945 -10.731 -3.469 1.00 0.00 H new ATOM 0 HG23 THR A 24 -13.002 -9.510 -4.763 1.00 0.00 H new ATOM 351 N ASP A 25 -13.031 -13.634 -4.725 1.00 0.00 N ATOM 352 CA ASP A 25 -12.852 -14.933 -4.081 1.00 0.00 C ATOM 353 C ASP A 25 -12.281 -14.752 -2.676 1.00 0.00 C ATOM 354 O ASP A 25 -11.424 -15.518 -2.232 1.00 0.00 O ATOM 355 CB ASP A 25 -11.904 -15.811 -4.902 1.00 0.00 C ATOM 356 CG ASP A 25 -12.561 -16.165 -6.232 1.00 0.00 C ATOM 357 OD1 ASP A 25 -12.453 -15.372 -7.153 1.00 0.00 O ATOM 358 OD2 ASP A 25 -13.162 -17.223 -6.310 1.00 0.00 O ATOM 0 H ASP A 25 -12.164 -13.167 -4.990 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.826 -15.419 -4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.965 -15.286 -5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.663 -16.720 -4.350 1.00 0.00 H new ATOM 363 N LEU A 26 -12.766 -13.727 -1.981 1.00 0.00 N ATOM 364 CA LEU A 26 -12.306 -13.446 -0.634 1.00 0.00 C ATOM 365 C LEU A 26 -13.516 -13.377 0.303 1.00 0.00 C ATOM 366 O LEU A 26 -14.579 -13.919 -0.003 1.00 0.00 O ATOM 367 CB LEU A 26 -11.529 -12.117 -0.613 1.00 0.00 C ATOM 368 CG LEU A 26 -10.436 -12.128 -1.691 1.00 0.00 C ATOM 369 CD1 LEU A 26 -10.304 -10.730 -2.298 1.00 0.00 C ATOM 370 CD2 LEU A 26 -9.102 -12.536 -1.062 1.00 0.00 C ATOM 0 H LEU A 26 -13.475 -13.082 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.638 -14.239 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.212 -11.285 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.081 -11.964 0.369 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.704 -12.841 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.528 -10.737 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.253 -10.437 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.037 -10.018 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.326 -12.544 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.835 -11.824 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.194 -13.532 -0.628 1.00 0.00 H new ATOM 382 N SER A 27 -13.354 -12.712 1.441 1.00 0.00 N ATOM 383 CA SER A 27 -14.444 -12.586 2.404 1.00 0.00 C ATOM 384 C SER A 27 -14.384 -11.232 3.102 1.00 0.00 C ATOM 385 O SER A 27 -14.715 -11.103 4.281 1.00 0.00 O ATOM 386 CB SER A 27 -14.355 -13.690 3.453 1.00 0.00 C ATOM 387 OG SER A 27 -12.991 -14.043 3.650 1.00 0.00 O ATOM 0 H SER A 27 -12.486 -12.255 1.719 1.00 0.00 H new ATOM 0 HA SER A 27 -15.386 -12.673 1.862 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.794 -13.352 4.392 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.925 -14.561 3.130 1.00 0.00 H new ATOM 0 HG SER A 27 -12.931 -14.751 4.325 1.00 0.00 H new ATOM 393 N GLY A 28 -13.955 -10.225 2.354 1.00 0.00 N ATOM 394 CA GLY A 28 -13.846 -8.873 2.896 1.00 0.00 C ATOM 395 C GLY A 28 -12.404 -8.382 2.837 1.00 0.00 C ATOM 396 O GLY A 28 -12.075 -7.467 2.085 1.00 0.00 O ATOM 0 H GLY A 28 -13.678 -10.315 1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.489 -8.197 2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.198 -8.860 3.928 1.00 0.00 H new ATOM 400 N ASP A 29 -11.548 -9.006 3.641 1.00 0.00 N ATOM 401 CA ASP A 29 -10.139 -8.631 3.676 1.00 0.00 C ATOM 402 C ASP A 29 -9.319 -9.572 2.801 1.00 0.00 C ATOM 403 O ASP A 29 -9.556 -10.779 2.769 1.00 0.00 O ATOM 404 CB ASP A 29 -9.603 -8.689 5.108 1.00 0.00 C ATOM 405 CG ASP A 29 -9.799 -7.335 5.780 1.00 0.00 C ATOM 406 OD1 ASP A 29 -10.892 -6.800 5.684 1.00 0.00 O ATOM 407 OD2 ASP A 29 -8.853 -6.852 6.380 1.00 0.00 O ATOM 0 H ASP A 29 -11.802 -9.767 4.271 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.052 -7.612 3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.122 -9.465 5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.546 -8.954 5.101 1.00 0.00 H new ATOM 412 N PHE A 30 -8.350 -9.003 2.090 1.00 0.00 N ATOM 413 CA PHE A 30 -7.495 -9.783 1.216 1.00 0.00 C ATOM 414 C PHE A 30 -6.025 -9.559 1.634 1.00 0.00 C ATOM 415 O PHE A 30 -5.653 -9.936 2.746 1.00 0.00 O ATOM 416 CB PHE A 30 -7.770 -9.429 -0.277 1.00 0.00 C ATOM 417 CG PHE A 30 -8.052 -7.937 -0.471 1.00 0.00 C ATOM 418 CD1 PHE A 30 -9.246 -7.381 0.012 1.00 0.00 C ATOM 419 CD2 PHE A 30 -7.128 -7.115 -1.140 1.00 0.00 C ATOM 420 CE1 PHE A 30 -9.511 -6.019 -0.165 1.00 0.00 C ATOM 421 CE2 PHE A 30 -7.396 -5.753 -1.313 1.00 0.00 C ATOM 422 CZ PHE A 30 -8.585 -5.205 -0.826 1.00 0.00 C ATOM 0 H PHE A 30 -8.141 -8.005 2.105 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.712 -10.847 1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.910 -9.717 -0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.621 -10.008 -0.636 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.963 -8.007 0.522 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.209 -7.536 -1.521 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.431 -5.595 0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.682 -5.124 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.789 -4.153 -0.960 1.00 0.00 H new ATOM 432 N LEU A 31 -5.209 -8.930 0.772 1.00 0.00 N ATOM 433 CA LEU A 31 -3.790 -8.633 1.066 1.00 0.00 C ATOM 434 C LEU A 31 -3.126 -9.688 1.962 1.00 0.00 C ATOM 435 O LEU A 31 -2.514 -9.369 2.981 1.00 0.00 O ATOM 436 CB LEU A 31 -3.684 -7.253 1.714 1.00 0.00 C ATOM 437 CG LEU A 31 -4.282 -6.218 0.757 1.00 0.00 C ATOM 438 CD1 LEU A 31 -4.754 -4.986 1.535 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.226 -5.810 -0.274 1.00 0.00 C ATOM 0 H LEU A 31 -5.511 -8.612 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.254 -8.651 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.215 -7.240 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.642 -7.014 1.927 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.139 -6.657 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.177 -4.258 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.513 -5.282 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.908 -4.540 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.649 -5.073 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.366 -5.378 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.910 -6.688 -0.838 1.00 0.00 H new ATOM 451 N ASP A 32 -3.257 -10.948 1.556 1.00 0.00 N ATOM 452 CA ASP A 32 -2.670 -12.050 2.310 1.00 0.00 C ATOM 453 C ASP A 32 -1.739 -12.853 1.406 1.00 0.00 C ATOM 454 O ASP A 32 -2.018 -13.997 1.047 1.00 0.00 O ATOM 455 CB ASP A 32 -3.765 -12.969 2.860 1.00 0.00 C ATOM 456 CG ASP A 32 -4.380 -12.340 4.105 1.00 0.00 C ATOM 457 OD1 ASP A 32 -3.632 -11.798 4.901 1.00 0.00 O ATOM 458 OD2 ASP A 32 -5.590 -12.409 4.243 1.00 0.00 O ATOM 0 H ASP A 32 -3.761 -11.229 0.715 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.105 -11.637 3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.533 -13.130 2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.347 -13.946 3.102 1.00 0.00 H new ATOM 463 N LEU A 33 -0.626 -12.224 1.033 1.00 0.00 N ATOM 464 CA LEU A 33 0.361 -12.861 0.156 1.00 0.00 C ATOM 465 C LEU A 33 -0.181 -12.943 -1.270 1.00 0.00 C ATOM 466 O LEU A 33 -0.025 -13.952 -1.957 1.00 0.00 O ATOM 467 CB LEU A 33 0.722 -14.273 0.646 1.00 0.00 C ATOM 468 CG LEU A 33 2.214 -14.531 0.426 1.00 0.00 C ATOM 469 CD1 LEU A 33 3.024 -13.777 1.482 1.00 0.00 C ATOM 470 CD2 LEU A 33 2.496 -16.031 0.544 1.00 0.00 C ATOM 0 H LEU A 33 -0.383 -11.276 1.322 1.00 0.00 H new ATOM 0 HA LEU A 33 1.263 -12.250 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.478 -14.375 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.132 -15.016 0.110 1.00 0.00 H new ATOM 0 HG LEU A 33 2.499 -14.184 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.087 -13.961 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.825 -12.709 1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.739 -14.123 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.559 -16.215 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.210 -16.378 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.920 -16.570 -0.208 1.00 0.00 H new ATOM 482 N ARG A 34 -0.817 -11.857 -1.707 1.00 0.00 N ATOM 483 CA ARG A 34 -1.378 -11.800 -3.058 1.00 0.00 C ATOM 484 C ARG A 34 -0.282 -12.004 -4.113 1.00 0.00 C ATOM 485 O ARG A 34 -0.568 -12.358 -5.257 1.00 0.00 O ATOM 486 CB ARG A 34 -2.069 -10.447 -3.288 1.00 0.00 C ATOM 487 CG ARG A 34 -2.732 -10.422 -4.670 1.00 0.00 C ATOM 488 CD ARG A 34 -3.841 -11.475 -4.730 1.00 0.00 C ATOM 489 NE ARG A 34 -4.773 -11.307 -3.617 1.00 0.00 N ATOM 490 CZ ARG A 34 -4.972 -12.284 -2.737 1.00 0.00 C ATOM 491 NH1 ARG A 34 -5.658 -13.339 -3.078 1.00 0.00 N ATOM 492 NH2 ARG A 34 -4.480 -12.185 -1.532 1.00 0.00 N ATOM 0 H ARG A 34 -0.956 -11.012 -1.153 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.110 -12.601 -3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.817 -10.276 -2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.340 -9.640 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.145 -9.433 -4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.990 -10.618 -5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.377 -11.392 -5.675 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.404 -12.473 -4.698 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.278 -10.427 -3.514 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.042 -13.415 -4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.811 -14.088 -2.403 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.944 -11.359 -1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.632 -12.934 -0.856 1.00 0.00 H new ATOM 506 N PHE A 35 0.974 -11.782 -3.719 1.00 0.00 N ATOM 507 CA PHE A 35 2.096 -11.948 -4.641 1.00 0.00 C ATOM 508 C PHE A 35 2.749 -13.316 -4.438 1.00 0.00 C ATOM 509 O PHE A 35 3.960 -13.471 -4.604 1.00 0.00 O ATOM 510 CB PHE A 35 3.149 -10.864 -4.394 1.00 0.00 C ATOM 511 CG PHE A 35 2.723 -9.560 -5.029 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.475 -8.999 -4.725 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.585 -8.904 -5.917 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.091 -7.787 -5.309 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.199 -7.691 -6.498 1.00 0.00 C ATOM 516 CZ PHE A 35 1.954 -7.133 -6.196 1.00 0.00 C ATOM 0 H PHE A 35 1.237 -11.490 -2.778 1.00 0.00 H new ATOM 0 HA PHE A 35 1.714 -11.868 -5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.292 -10.724 -3.322 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.108 -11.180 -4.805 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.809 -9.503 -4.040 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.547 -9.334 -6.153 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.129 -7.356 -5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.865 -7.185 -7.181 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.658 -6.197 -6.647 1.00 0.00 H new ATOM 526 N GLU A 36 1.938 -14.305 -4.068 1.00 0.00 N ATOM 527 CA GLU A 36 2.449 -15.650 -3.834 1.00 0.00 C ATOM 528 C GLU A 36 3.058 -16.231 -5.111 1.00 0.00 C ATOM 529 O GLU A 36 4.279 -16.317 -5.241 1.00 0.00 O ATOM 530 CB GLU A 36 1.328 -16.565 -3.324 1.00 0.00 C ATOM 531 CG GLU A 36 1.908 -17.928 -2.946 1.00 0.00 C ATOM 532 CD GLU A 36 0.861 -18.736 -2.186 1.00 0.00 C ATOM 533 OE1 GLU A 36 -0.282 -18.736 -2.612 1.00 0.00 O ATOM 534 OE2 GLU A 36 1.217 -19.342 -1.190 1.00 0.00 O ATOM 0 H GLU A 36 0.933 -14.200 -3.925 1.00 0.00 H new ATOM 0 HA GLU A 36 3.230 -15.589 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.842 -16.113 -2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.565 -16.684 -4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.216 -18.465 -3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.799 -17.798 -2.331 1.00 0.00 H new ATOM 541 N ASP A 37 2.204 -16.631 -6.053 1.00 0.00 N ATOM 542 CA ASP A 37 2.693 -17.202 -7.309 1.00 0.00 C ATOM 543 C ASP A 37 1.533 -17.568 -8.235 1.00 0.00 C ATOM 544 O ASP A 37 1.585 -18.567 -8.953 1.00 0.00 O ATOM 545 CB ASP A 37 3.527 -18.459 -7.038 1.00 0.00 C ATOM 546 CG ASP A 37 4.638 -18.568 -8.075 1.00 0.00 C ATOM 547 OD1 ASP A 37 4.334 -18.471 -9.254 1.00 0.00 O ATOM 548 OD2 ASP A 37 5.778 -18.748 -7.679 1.00 0.00 O ATOM 0 H ASP A 37 1.189 -16.572 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 37 3.312 -16.447 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.954 -18.416 -6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.892 -19.344 -7.076 1.00 0.00 H new ATOM 553 N ILE A 38 0.489 -16.744 -8.221 1.00 0.00 N ATOM 554 CA ILE A 38 -0.669 -16.994 -9.078 1.00 0.00 C ATOM 555 C ILE A 38 -0.414 -16.400 -10.464 1.00 0.00 C ATOM 556 O ILE A 38 -0.785 -16.970 -11.489 1.00 0.00 O ATOM 557 CB ILE A 38 -1.953 -16.395 -8.458 1.00 0.00 C ATOM 558 CG1 ILE A 38 -1.942 -14.857 -8.528 1.00 0.00 C ATOM 559 CG2 ILE A 38 -2.044 -16.812 -6.988 1.00 0.00 C ATOM 560 CD1 ILE A 38 -3.277 -14.301 -8.015 1.00 0.00 C ATOM 0 H ILE A 38 0.419 -15.911 -7.637 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.815 -18.070 -9.170 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.808 -16.768 -9.023 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.120 -14.463 -7.930 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.773 -14.532 -9.555 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.948 -16.392 -6.546 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.078 -17.899 -6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.171 -16.442 -6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.262 -13.212 -8.067 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.091 -14.683 -8.631 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.428 -14.612 -6.981 1.00 0.00 H new ATOM 572 N GLY A 39 0.234 -15.241 -10.458 1.00 0.00 N ATOM 573 CA GLY A 39 0.568 -14.536 -11.690 1.00 0.00 C ATOM 574 C GLY A 39 1.359 -13.277 -11.358 1.00 0.00 C ATOM 575 O GLY A 39 1.170 -12.223 -11.966 1.00 0.00 O ATOM 0 H GLY A 39 0.540 -14.767 -9.608 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.152 -15.183 -12.345 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.342 -14.274 -12.230 1.00 0.00 H new ATOM 579 N TYR A 40 2.241 -13.404 -10.367 1.00 0.00 N ATOM 580 CA TYR A 40 3.056 -12.281 -9.927 1.00 0.00 C ATOM 581 C TYR A 40 4.454 -12.758 -9.547 1.00 0.00 C ATOM 582 O TYR A 40 4.666 -13.292 -8.459 1.00 0.00 O ATOM 583 CB TYR A 40 2.417 -11.619 -8.708 1.00 0.00 C ATOM 584 CG TYR A 40 1.016 -11.173 -9.049 1.00 0.00 C ATOM 585 CD1 TYR A 40 0.813 -9.942 -9.683 1.00 0.00 C ATOM 586 CD2 TYR A 40 -0.079 -11.989 -8.733 1.00 0.00 C ATOM 587 CE1 TYR A 40 -0.483 -9.524 -10.003 1.00 0.00 C ATOM 588 CE2 TYR A 40 -1.376 -11.570 -9.055 1.00 0.00 C ATOM 589 CZ TYR A 40 -1.578 -10.337 -9.689 1.00 0.00 C ATOM 590 OH TYR A 40 -2.856 -9.926 -10.005 1.00 0.00 O ATOM 0 H TYR A 40 2.406 -14.272 -9.857 1.00 0.00 H new ATOM 0 HA TYR A 40 3.124 -11.565 -10.746 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.393 -12.319 -7.873 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.014 -10.764 -8.391 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.658 -9.314 -9.925 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.077 -12.938 -8.242 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.639 -8.574 -10.492 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.221 -12.198 -8.814 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.812 -9.132 -10.578 1.00 0.00 H new ATOM 600 N ASP A 41 5.406 -12.555 -10.451 1.00 0.00 N ATOM 601 CA ASP A 41 6.785 -12.968 -10.188 1.00 0.00 C ATOM 602 C ASP A 41 7.643 -11.753 -9.847 1.00 0.00 C ATOM 603 O ASP A 41 8.260 -11.690 -8.782 1.00 0.00 O ATOM 604 CB ASP A 41 7.403 -13.709 -11.389 1.00 0.00 C ATOM 605 CG ASP A 41 6.983 -13.061 -12.708 1.00 0.00 C ATOM 606 OD1 ASP A 41 5.859 -13.289 -13.127 1.00 0.00 O ATOM 607 OD2 ASP A 41 7.792 -12.349 -13.279 1.00 0.00 O ATOM 0 H ASP A 41 5.256 -12.115 -11.359 1.00 0.00 H new ATOM 0 HA ASP A 41 6.761 -13.655 -9.342 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.490 -13.701 -11.306 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.090 -14.753 -11.377 1.00 0.00 H new ATOM 612 N SER A 42 7.671 -10.783 -10.760 1.00 0.00 N ATOM 613 CA SER A 42 8.448 -9.556 -10.559 1.00 0.00 C ATOM 614 C SER A 42 8.526 -8.770 -11.863 1.00 0.00 C ATOM 615 O SER A 42 8.357 -7.553 -11.881 1.00 0.00 O ATOM 616 CB SER A 42 9.875 -9.861 -10.089 1.00 0.00 C ATOM 617 OG SER A 42 10.339 -11.042 -10.731 1.00 0.00 O ATOM 0 H SER A 42 7.166 -10.821 -11.645 1.00 0.00 H new ATOM 0 HA SER A 42 7.941 -8.973 -9.790 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.533 -9.024 -10.322 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.894 -9.990 -9.007 1.00 0.00 H new ATOM 0 HG SER A 42 11.252 -11.239 -10.434 1.00 0.00 H new ATOM 623 N LEU A 43 8.787 -9.483 -12.953 1.00 0.00 N ATOM 624 CA LEU A 43 8.886 -8.845 -14.264 1.00 0.00 C ATOM 625 C LEU A 43 7.498 -8.505 -14.811 1.00 0.00 C ATOM 626 O LEU A 43 7.353 -7.623 -15.658 1.00 0.00 O ATOM 627 CB LEU A 43 9.604 -9.773 -15.256 1.00 0.00 C ATOM 628 CG LEU A 43 10.565 -8.967 -16.147 1.00 0.00 C ATOM 629 CD1 LEU A 43 9.788 -7.895 -16.920 1.00 0.00 C ATOM 630 CD2 LEU A 43 11.649 -8.303 -15.283 1.00 0.00 C ATOM 0 H LEU A 43 8.933 -10.493 -12.958 1.00 0.00 H new ATOM 0 HA LEU A 43 9.457 -7.924 -14.145 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.158 -10.538 -14.712 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.871 -10.290 -15.876 1.00 0.00 H new ATOM 0 HG LEU A 43 11.040 -9.644 -16.857 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.476 -7.329 -17.548 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.034 -8.372 -17.546 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.301 -7.220 -16.216 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.325 -7.734 -15.921 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.180 -7.633 -14.563 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.211 -9.071 -14.751 1.00 0.00 H new ATOM 642 N ALA A 44 6.479 -9.217 -14.330 1.00 0.00 N ATOM 643 CA ALA A 44 5.114 -8.980 -14.794 1.00 0.00 C ATOM 644 C ALA A 44 4.458 -7.845 -14.011 1.00 0.00 C ATOM 645 O ALA A 44 3.846 -6.948 -14.591 1.00 0.00 O ATOM 646 CB ALA A 44 4.270 -10.246 -14.633 1.00 0.00 C ATOM 0 H ALA A 44 6.571 -9.952 -13.629 1.00 0.00 H new ATOM 0 HA ALA A 44 5.167 -8.703 -15.847 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.256 -10.054 -14.983 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.709 -11.053 -15.219 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.243 -10.534 -13.582 1.00 0.00 H new ATOM 652 N LEU A 45 4.576 -7.900 -12.686 1.00 0.00 N ATOM 653 CA LEU A 45 3.971 -6.875 -11.835 1.00 0.00 C ATOM 654 C LEU A 45 4.759 -5.564 -11.890 1.00 0.00 C ATOM 655 O LEU A 45 4.210 -4.490 -11.643 1.00 0.00 O ATOM 656 CB LEU A 45 3.887 -7.358 -10.383 1.00 0.00 C ATOM 657 CG LEU A 45 5.287 -7.664 -9.840 1.00 0.00 C ATOM 658 CD1 LEU A 45 5.815 -6.450 -9.074 1.00 0.00 C ATOM 659 CD2 LEU A 45 5.214 -8.868 -8.892 1.00 0.00 C ATOM 0 H LEU A 45 5.077 -8.632 -12.183 1.00 0.00 H new ATOM 0 HA LEU A 45 2.966 -6.692 -12.215 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.409 -6.596 -9.767 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.264 -8.251 -10.325 1.00 0.00 H new ATOM 0 HG LEU A 45 5.956 -7.891 -10.670 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.811 -6.668 -8.688 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.865 -5.591 -9.743 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.146 -6.224 -8.244 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.209 -9.087 -8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.545 -8.638 -8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.836 -9.735 -9.434 1.00 0.00 H new ATOM 671 N MET A 46 6.048 -5.655 -12.212 1.00 0.00 N ATOM 672 CA MET A 46 6.885 -4.459 -12.287 1.00 0.00 C ATOM 673 C MET A 46 6.645 -3.716 -13.600 1.00 0.00 C ATOM 674 O MET A 46 6.694 -2.487 -13.649 1.00 0.00 O ATOM 675 CB MET A 46 8.368 -4.833 -12.181 1.00 0.00 C ATOM 676 CG MET A 46 9.222 -3.563 -12.124 1.00 0.00 C ATOM 677 SD MET A 46 10.911 -3.994 -11.634 1.00 0.00 S ATOM 678 CE MET A 46 11.406 -2.349 -11.065 1.00 0.00 C ATOM 0 H MET A 46 6.530 -6.529 -12.422 1.00 0.00 H new ATOM 0 HA MET A 46 6.617 -3.810 -11.454 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.537 -5.436 -11.289 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.661 -5.441 -13.037 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.228 -3.072 -13.097 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.795 -2.856 -11.413 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.492 -2.305 -10.981 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.067 -1.599 -11.780 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.958 -2.151 -10.091 1.00 0.00 H new ATOM 688 N GLU A 47 6.390 -4.474 -14.663 1.00 0.00 N ATOM 689 CA GLU A 47 6.150 -3.872 -15.973 1.00 0.00 C ATOM 690 C GLU A 47 4.877 -3.031 -15.956 1.00 0.00 C ATOM 691 O GLU A 47 4.905 -1.831 -16.225 1.00 0.00 O ATOM 692 CB GLU A 47 6.014 -4.956 -17.044 1.00 0.00 C ATOM 693 CG GLU A 47 6.542 -4.425 -18.377 1.00 0.00 C ATOM 694 CD GLU A 47 5.985 -5.270 -19.517 1.00 0.00 C ATOM 695 OE1 GLU A 47 6.470 -6.375 -19.702 1.00 0.00 O ATOM 696 OE2 GLU A 47 5.081 -4.800 -20.190 1.00 0.00 O ATOM 0 H GLU A 47 6.344 -5.493 -14.646 1.00 0.00 H new ATOM 0 HA GLU A 47 7.002 -3.233 -16.206 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.570 -5.846 -16.749 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.970 -5.252 -17.146 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.250 -3.383 -18.507 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.632 -4.455 -18.387 1.00 0.00 H new ATOM 703 N THR A 48 3.759 -3.679 -15.642 1.00 0.00 N ATOM 704 CA THR A 48 2.474 -2.987 -15.599 1.00 0.00 C ATOM 705 C THR A 48 2.489 -1.884 -14.544 1.00 0.00 C ATOM 706 O THR A 48 2.140 -0.736 -14.821 1.00 0.00 O ATOM 707 CB THR A 48 1.350 -3.972 -15.272 1.00 0.00 C ATOM 708 OG1 THR A 48 1.469 -5.115 -16.106 1.00 0.00 O ATOM 709 CG2 THR A 48 -0.004 -3.303 -15.509 1.00 0.00 C ATOM 0 H THR A 48 3.716 -4.673 -15.416 1.00 0.00 H new ATOM 0 HA THR A 48 2.300 -2.544 -16.580 1.00 0.00 H new ATOM 0 HB THR A 48 1.423 -4.274 -14.227 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.979 -5.864 -15.706 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.803 -4.006 -15.275 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.094 -2.426 -14.868 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.082 -2.999 -16.553 1.00 0.00 H new ATOM 717 N ALA A 49 2.892 -2.246 -13.331 1.00 0.00 N ATOM 718 CA ALA A 49 2.942 -1.281 -12.232 1.00 0.00 C ATOM 719 C ALA A 49 3.900 -0.129 -12.545 1.00 0.00 C ATOM 720 O ALA A 49 3.810 0.941 -11.945 1.00 0.00 O ATOM 721 CB ALA A 49 3.397 -1.965 -10.943 1.00 0.00 C ATOM 0 H ALA A 49 3.187 -3.190 -13.082 1.00 0.00 H new ATOM 0 HA ALA A 49 1.936 -0.880 -12.105 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.429 -1.234 -10.135 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.697 -2.760 -10.686 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.390 -2.390 -11.088 1.00 0.00 H new ATOM 727 N ALA A 50 4.821 -0.352 -13.483 1.00 0.00 N ATOM 728 CA ALA A 50 5.784 0.686 -13.847 1.00 0.00 C ATOM 729 C ALA A 50 5.137 1.735 -14.747 1.00 0.00 C ATOM 730 O ALA A 50 5.347 2.936 -14.574 1.00 0.00 O ATOM 731 CB ALA A 50 6.979 0.075 -14.580 1.00 0.00 C ATOM 0 H ALA A 50 4.920 -1.227 -13.997 1.00 0.00 H new ATOM 0 HA ALA A 50 6.122 1.160 -12.926 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.686 0.862 -14.843 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.470 -0.652 -13.933 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.634 -0.421 -15.487 1.00 0.00 H new ATOM 737 N ARG A 51 4.351 1.269 -15.713 1.00 0.00 N ATOM 738 CA ARG A 51 3.681 2.178 -16.641 1.00 0.00 C ATOM 739 C ARG A 51 2.692 3.070 -15.898 1.00 0.00 C ATOM 740 O ARG A 51 2.641 4.281 -16.115 1.00 0.00 O ATOM 741 CB ARG A 51 2.931 1.391 -17.716 1.00 0.00 C ATOM 742 CG ARG A 51 3.882 1.068 -18.870 1.00 0.00 C ATOM 743 CD ARG A 51 3.817 2.184 -19.914 1.00 0.00 C ATOM 744 NE ARG A 51 4.859 3.178 -19.671 1.00 0.00 N ATOM 745 CZ ARG A 51 6.036 3.099 -20.286 1.00 0.00 C ATOM 746 NH1 ARG A 51 6.094 3.128 -21.590 1.00 0.00 N ATOM 747 NH2 ARG A 51 7.131 2.994 -19.586 1.00 0.00 N ATOM 0 H ARG A 51 4.163 0.280 -15.874 1.00 0.00 H new ATOM 0 HA ARG A 51 4.445 2.797 -17.111 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.529 0.470 -17.293 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.083 1.971 -18.081 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.901 0.964 -18.497 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.610 0.115 -19.324 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.935 1.763 -20.912 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.838 2.661 -19.883 1.00 0.00 H new ATOM 0 HE ARG A 51 4.682 3.944 -19.021 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.237 3.211 -22.137 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.996 3.067 -22.062 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.085 2.972 -18.567 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.034 2.933 -20.057 1.00 0.00 H new ATOM 761 N LEU A 52 1.904 2.458 -15.019 1.00 0.00 N ATOM 762 CA LEU A 52 0.914 3.204 -14.247 1.00 0.00 C ATOM 763 C LEU A 52 1.602 4.220 -13.340 1.00 0.00 C ATOM 764 O LEU A 52 1.204 5.382 -13.269 1.00 0.00 O ATOM 765 CB LEU A 52 0.079 2.255 -13.388 1.00 0.00 C ATOM 766 CG LEU A 52 -1.307 2.861 -13.155 1.00 0.00 C ATOM 767 CD1 LEU A 52 -2.308 1.745 -12.853 1.00 0.00 C ATOM 768 CD2 LEU A 52 -1.248 3.827 -11.969 1.00 0.00 C ATOM 0 H LEU A 52 1.930 1.457 -14.824 1.00 0.00 H new ATOM 0 HA LEU A 52 0.263 3.725 -14.949 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.014 1.288 -13.882 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.576 2.079 -12.434 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.622 3.400 -14.048 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.295 2.177 -12.687 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.350 1.056 -13.697 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.993 1.206 -11.960 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.235 4.259 -11.802 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.932 3.288 -11.076 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.535 4.623 -12.183 1.00 0.00 H new ATOM 780 N GLU A 53 2.642 3.765 -12.645 1.00 0.00 N ATOM 781 CA GLU A 53 3.385 4.638 -11.740 1.00 0.00 C ATOM 782 C GLU A 53 4.547 5.316 -12.470 1.00 0.00 C ATOM 783 O GLU A 53 5.685 5.319 -11.995 1.00 0.00 O ATOM 784 CB GLU A 53 3.929 3.838 -10.552 1.00 0.00 C ATOM 785 CG GLU A 53 2.821 3.645 -9.514 1.00 0.00 C ATOM 786 CD GLU A 53 2.132 2.305 -9.746 1.00 0.00 C ATOM 787 OE1 GLU A 53 2.813 1.294 -9.689 1.00 0.00 O ATOM 788 OE2 GLU A 53 0.934 2.309 -9.977 1.00 0.00 O ATOM 0 H GLU A 53 2.987 2.806 -12.690 1.00 0.00 H new ATOM 0 HA GLU A 53 2.700 5.404 -11.377 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.297 2.869 -10.891 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.774 4.361 -10.104 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.240 3.681 -8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.096 4.456 -9.586 1.00 0.00 H new ATOM 795 N SER A 54 4.250 5.898 -13.629 1.00 0.00 N ATOM 796 CA SER A 54 5.277 6.582 -14.408 1.00 0.00 C ATOM 797 C SER A 54 5.243 8.075 -14.109 1.00 0.00 C ATOM 798 O SER A 54 6.234 8.660 -13.675 1.00 0.00 O ATOM 799 CB SER A 54 5.053 6.366 -15.905 1.00 0.00 C ATOM 800 OG SER A 54 5.938 7.202 -16.638 1.00 0.00 O ATOM 0 H SER A 54 3.319 5.910 -14.045 1.00 0.00 H new ATOM 0 HA SER A 54 6.247 6.170 -14.131 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.224 5.321 -16.163 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.020 6.593 -16.166 1.00 0.00 H new ATOM 0 HG SER A 54 5.798 7.065 -17.598 1.00 0.00 H new ATOM 806 N ARG A 55 4.080 8.682 -14.335 1.00 0.00 N ATOM 807 CA ARG A 55 3.916 10.110 -14.074 1.00 0.00 C ATOM 808 C ARG A 55 4.122 10.396 -12.589 1.00 0.00 C ATOM 809 O ARG A 55 4.611 11.460 -12.209 1.00 0.00 O ATOM 810 CB ARG A 55 2.519 10.587 -14.492 1.00 0.00 C ATOM 811 CG ARG A 55 1.453 9.643 -13.930 1.00 0.00 C ATOM 812 CD ARG A 55 0.096 10.347 -13.932 1.00 0.00 C ATOM 813 NE ARG A 55 -0.259 10.777 -15.282 1.00 0.00 N ATOM 814 CZ ARG A 55 -0.462 9.891 -16.253 1.00 0.00 C ATOM 815 NH1 ARG A 55 -1.202 8.838 -16.031 1.00 0.00 N ATOM 816 NH2 ARG A 55 0.078 10.073 -17.427 1.00 0.00 N ATOM 0 H ARG A 55 3.247 8.215 -14.694 1.00 0.00 H new ATOM 0 HA ARG A 55 4.661 10.648 -14.660 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.348 11.600 -14.128 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.448 10.623 -15.579 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.404 8.734 -14.530 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.717 9.342 -12.916 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.669 9.674 -13.546 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.127 11.210 -13.266 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.353 11.773 -15.483 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.624 8.695 -15.113 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.358 8.158 -16.775 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.656 10.895 -17.600 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.078 9.393 -18.171 1.00 0.00 H new ATOM 830 N TYR A 56 3.752 9.425 -11.754 1.00 0.00 N ATOM 831 CA TYR A 56 3.913 9.575 -10.311 1.00 0.00 C ATOM 832 C TYR A 56 5.397 9.650 -9.962 1.00 0.00 C ATOM 833 O TYR A 56 5.901 10.696 -9.553 1.00 0.00 O ATOM 834 CB TYR A 56 3.277 8.384 -9.570 1.00 0.00 C ATOM 835 CG TYR A 56 1.746 8.410 -9.641 1.00 0.00 C ATOM 836 CD1 TYR A 56 1.056 9.330 -10.459 1.00 0.00 C ATOM 837 CD2 TYR A 56 1.013 7.487 -8.876 1.00 0.00 C ATOM 838 CE1 TYR A 56 -0.344 9.321 -10.503 1.00 0.00 C ATOM 839 CE2 TYR A 56 -0.385 7.482 -8.926 1.00 0.00 C ATOM 840 CZ TYR A 56 -1.063 8.397 -9.739 1.00 0.00 C ATOM 841 OH TYR A 56 -2.442 8.388 -9.786 1.00 0.00 O ATOM 0 H TYR A 56 3.344 8.538 -12.048 1.00 0.00 H new ATOM 0 HA TYR A 56 3.414 10.493 -10.001 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.643 7.452 -10.001 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.591 8.398 -8.526 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.609 10.043 -11.053 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.531 6.778 -8.247 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.869 10.029 -11.128 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.942 6.770 -8.336 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.785 7.684 -9.197 1.00 0.00 H new ATOM 851 N GLY A 57 6.096 8.525 -10.141 1.00 0.00 N ATOM 852 CA GLY A 57 7.536 8.456 -9.858 1.00 0.00 C ATOM 853 C GLY A 57 7.878 9.073 -8.502 1.00 0.00 C ATOM 854 O GLY A 57 8.971 9.601 -8.301 1.00 0.00 O ATOM 0 H GLY A 57 5.691 7.652 -10.479 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.861 7.416 -9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.086 8.975 -10.643 1.00 0.00 H new ATOM 858 N VAL A 58 6.925 9.007 -7.579 1.00 0.00 N ATOM 859 CA VAL A 58 7.123 9.564 -6.248 1.00 0.00 C ATOM 860 C VAL A 58 8.192 8.776 -5.489 1.00 0.00 C ATOM 861 O VAL A 58 9.051 9.351 -4.821 1.00 0.00 O ATOM 862 CB VAL A 58 5.797 9.540 -5.474 1.00 0.00 C ATOM 863 CG1 VAL A 58 5.327 8.096 -5.268 1.00 0.00 C ATOM 864 CG2 VAL A 58 5.980 10.216 -4.115 1.00 0.00 C ATOM 0 H VAL A 58 6.013 8.576 -7.727 1.00 0.00 H new ATOM 0 HA VAL A 58 7.462 10.595 -6.345 1.00 0.00 H new ATOM 0 HB VAL A 58 5.045 10.078 -6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.386 8.095 -4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.181 7.619 -6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.079 7.546 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.037 10.197 -3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.741 9.684 -3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.293 11.250 -4.262 1.00 0.00 H new ATOM 874 N SER A 59 8.121 7.454 -5.599 1.00 0.00 N ATOM 875 CA SER A 59 9.080 6.589 -4.916 1.00 0.00 C ATOM 876 C SER A 59 10.292 6.324 -5.804 1.00 0.00 C ATOM 877 O SER A 59 10.158 5.991 -6.981 1.00 0.00 O ATOM 878 CB SER A 59 8.430 5.255 -4.552 1.00 0.00 C ATOM 879 OG SER A 59 7.062 5.473 -4.238 1.00 0.00 O ATOM 0 H SER A 59 7.418 6.960 -6.148 1.00 0.00 H new ATOM 0 HA SER A 59 9.402 7.098 -4.008 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.518 4.555 -5.383 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.944 4.806 -3.702 1.00 0.00 H new ATOM 0 HG SER A 59 6.888 5.185 -3.318 1.00 0.00 H new ATOM 885 N ILE A 60 11.479 6.475 -5.221 1.00 0.00 N ATOM 886 CA ILE A 60 12.717 6.250 -5.966 1.00 0.00 C ATOM 887 C ILE A 60 13.237 4.791 -5.895 1.00 0.00 C ATOM 888 O ILE A 60 14.013 4.397 -6.767 1.00 0.00 O ATOM 889 CB ILE A 60 13.826 7.215 -5.511 1.00 0.00 C ATOM 890 CG1 ILE A 60 14.177 7.002 -4.032 1.00 0.00 C ATOM 891 CG2 ILE A 60 13.349 8.656 -5.705 1.00 0.00 C ATOM 892 CD1 ILE A 60 15.170 5.846 -3.893 1.00 0.00 C ATOM 0 H ILE A 60 11.611 6.749 -4.247 1.00 0.00 H new ATOM 0 HA ILE A 60 12.461 6.446 -7.007 1.00 0.00 H new ATOM 0 HB ILE A 60 14.716 7.020 -6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 60 14.606 7.914 -3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 60 13.273 6.787 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 60 14.131 9.344 -5.384 1.00 0.00 H new ATOM 0 HG22 ILE A 60 13.125 8.826 -6.758 1.00 0.00 H new ATOM 0 HG23 ILE A 60 12.451 8.825 -5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 60 15.414 5.701 -2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 60 14.725 4.934 -4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 60 16.079 6.078 -4.448 1.00 0.00 H new ATOM 904 N PRO A 61 12.853 3.956 -4.898 1.00 0.00 N ATOM 905 CA PRO A 61 13.355 2.567 -4.841 1.00 0.00 C ATOM 906 C PRO A 61 12.606 1.633 -5.791 1.00 0.00 C ATOM 907 O PRO A 61 11.400 1.422 -5.657 1.00 0.00 O ATOM 908 CB PRO A 61 13.102 2.178 -3.391 1.00 0.00 C ATOM 909 CG PRO A 61 11.981 3.071 -2.881 1.00 0.00 C ATOM 910 CD PRO A 61 11.926 4.300 -3.794 1.00 0.00 C ATOM 0 HA PRO A 61 14.398 2.490 -5.147 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.822 1.127 -3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.004 2.311 -2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.030 2.539 -2.895 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.165 3.367 -1.848 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.916 4.482 -4.161 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.243 5.202 -3.271 1.00 0.00 H new ATOM 918 N ASP A 62 13.339 1.079 -6.752 1.00 0.00 N ATOM 919 CA ASP A 62 12.743 0.170 -7.727 1.00 0.00 C ATOM 920 C ASP A 62 13.031 -1.284 -7.358 1.00 0.00 C ATOM 921 O ASP A 62 12.254 -2.183 -7.676 1.00 0.00 O ATOM 922 CB ASP A 62 13.301 0.446 -9.124 1.00 0.00 C ATOM 923 CG ASP A 62 12.584 1.648 -9.729 1.00 0.00 C ATOM 924 OD1 ASP A 62 11.365 1.659 -9.705 1.00 0.00 O ATOM 925 OD2 ASP A 62 13.266 2.539 -10.209 1.00 0.00 O ATOM 0 H ASP A 62 14.338 1.241 -6.877 1.00 0.00 H new ATOM 0 HA ASP A 62 11.666 0.337 -7.722 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.372 0.638 -9.068 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.167 -0.429 -9.760 1.00 0.00 H new ATOM 930 N ASP A 63 14.163 -1.505 -6.691 1.00 0.00 N ATOM 931 CA ASP A 63 14.551 -2.856 -6.289 1.00 0.00 C ATOM 932 C ASP A 63 13.495 -3.477 -5.378 1.00 0.00 C ATOM 933 O ASP A 63 13.149 -4.650 -5.518 1.00 0.00 O ATOM 934 CB ASP A 63 15.890 -2.826 -5.549 1.00 0.00 C ATOM 935 CG ASP A 63 16.950 -2.191 -6.441 1.00 0.00 C ATOM 936 OD1 ASP A 63 17.528 -2.906 -7.243 1.00 0.00 O ATOM 937 OD2 ASP A 63 17.171 -0.998 -6.309 1.00 0.00 O ATOM 0 H ASP A 63 14.821 -0.775 -6.420 1.00 0.00 H new ATOM 0 HA ASP A 63 14.643 -3.458 -7.193 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.793 -2.260 -4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.189 -3.838 -5.275 1.00 0.00 H new ATOM 942 N VAL A 64 12.988 -2.681 -4.442 1.00 0.00 N ATOM 943 CA VAL A 64 11.973 -3.166 -3.510 1.00 0.00 C ATOM 944 C VAL A 64 10.704 -3.568 -4.266 1.00 0.00 C ATOM 945 O VAL A 64 10.103 -4.608 -3.992 1.00 0.00 O ATOM 946 CB VAL A 64 11.644 -2.084 -2.467 1.00 0.00 C ATOM 947 CG1 VAL A 64 11.048 -0.849 -3.151 1.00 0.00 C ATOM 948 CG2 VAL A 64 10.641 -2.636 -1.446 1.00 0.00 C ATOM 0 H VAL A 64 13.259 -1.707 -4.308 1.00 0.00 H new ATOM 0 HA VAL A 64 12.368 -4.042 -2.995 1.00 0.00 H new ATOM 0 HB VAL A 64 12.564 -1.798 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.820 -0.092 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.766 -0.447 -3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.133 -1.128 -3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.411 -1.866 -0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.726 -2.933 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.072 -3.502 -0.944 1.00 0.00 H new ATOM 958 N ALA A 65 10.308 -2.729 -5.216 1.00 0.00 N ATOM 959 CA ALA A 65 9.110 -2.996 -6.009 1.00 0.00 C ATOM 960 C ALA A 65 9.281 -4.262 -6.848 1.00 0.00 C ATOM 961 O ALA A 65 8.305 -4.928 -7.192 1.00 0.00 O ATOM 962 CB ALA A 65 8.815 -1.819 -6.941 1.00 0.00 C ATOM 0 H ALA A 65 10.793 -1.864 -5.456 1.00 0.00 H new ATOM 0 HA ALA A 65 8.279 -3.135 -5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.920 -2.033 -7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.655 -0.918 -6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.659 -1.667 -7.613 1.00 0.00 H new ATOM 968 N GLY A 66 10.531 -4.585 -7.177 1.00 0.00 N ATOM 969 CA GLY A 66 10.811 -5.772 -7.980 1.00 0.00 C ATOM 970 C GLY A 66 10.735 -7.035 -7.132 1.00 0.00 C ATOM 971 O GLY A 66 10.361 -8.103 -7.617 1.00 0.00 O ATOM 0 H GLY A 66 11.355 -4.049 -6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.097 -5.837 -8.801 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.802 -5.688 -8.426 1.00 0.00 H new ATOM 975 N ARG A 67 11.096 -6.904 -5.858 1.00 0.00 N ATOM 976 CA ARG A 67 11.064 -8.046 -4.951 1.00 0.00 C ATOM 977 C ARG A 67 9.883 -7.942 -3.990 1.00 0.00 C ATOM 978 O ARG A 67 9.929 -8.457 -2.873 1.00 0.00 O ATOM 979 CB ARG A 67 12.357 -8.123 -4.137 1.00 0.00 C ATOM 980 CG ARG A 67 13.496 -8.627 -5.031 1.00 0.00 C ATOM 981 CD ARG A 67 14.419 -9.538 -4.219 1.00 0.00 C ATOM 982 NE ARG A 67 15.020 -8.806 -3.108 1.00 0.00 N ATOM 983 CZ ARG A 67 15.617 -9.449 -2.109 1.00 0.00 C ATOM 984 NH1 ARG A 67 14.911 -9.894 -1.105 1.00 0.00 N ATOM 985 NH2 ARG A 67 16.909 -9.633 -2.132 1.00 0.00 N ATOM 0 H ARG A 67 11.410 -6.030 -5.435 1.00 0.00 H new ATOM 0 HA ARG A 67 10.959 -8.946 -5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.604 -7.141 -3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.225 -8.792 -3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.089 -9.171 -5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.059 -7.784 -5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.855 -10.389 -3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.202 -9.938 -4.863 1.00 0.00 H new ATOM 0 HE ARG A 67 14.981 -7.787 -3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.902 -9.748 -1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.369 -10.387 -0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.460 -9.284 -2.916 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.368 -10.126 -1.366 1.00 0.00 H new ATOM 999 N VAL A 68 8.822 -7.275 -4.436 1.00 0.00 N ATOM 1000 CA VAL A 68 7.636 -7.120 -3.602 1.00 0.00 C ATOM 1001 C VAL A 68 6.938 -8.471 -3.432 1.00 0.00 C ATOM 1002 O VAL A 68 6.304 -8.985 -4.353 1.00 0.00 O ATOM 1003 CB VAL A 68 6.670 -6.090 -4.216 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.208 -6.549 -5.603 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.448 -5.909 -3.305 1.00 0.00 C ATOM 0 H VAL A 68 8.759 -6.839 -5.356 1.00 0.00 H new ATOM 0 HA VAL A 68 7.944 -6.755 -2.622 1.00 0.00 H new ATOM 0 HB VAL A 68 7.195 -5.140 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.526 -5.809 -6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.073 -6.657 -6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.696 -7.507 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.770 -5.179 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.932 -6.863 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.773 -5.557 -2.326 1.00 0.00 H new ATOM 1015 N ASP A 69 7.074 -9.042 -2.239 1.00 0.00 N ATOM 1016 CA ASP A 69 6.463 -10.337 -1.945 1.00 0.00 C ATOM 1017 C ASP A 69 5.053 -10.167 -1.376 1.00 0.00 C ATOM 1018 O ASP A 69 4.258 -11.107 -1.376 1.00 0.00 O ATOM 1019 CB ASP A 69 7.315 -11.108 -0.935 1.00 0.00 C ATOM 1020 CG ASP A 69 7.108 -12.606 -1.129 1.00 0.00 C ATOM 1021 OD1 ASP A 69 5.963 -13.026 -1.166 1.00 0.00 O ATOM 1022 OD2 ASP A 69 8.097 -13.310 -1.239 1.00 0.00 O ATOM 0 H ASP A 69 7.597 -8.634 -1.465 1.00 0.00 H new ATOM 0 HA ASP A 69 6.403 -10.892 -2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.368 -10.856 -1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.042 -10.821 0.080 1.00 0.00 H new ATOM 1027 N THR A 70 4.748 -8.965 -0.887 1.00 0.00 N ATOM 1028 CA THR A 70 3.430 -8.698 -0.322 1.00 0.00 C ATOM 1029 C THR A 70 2.726 -7.596 -1.118 1.00 0.00 C ATOM 1030 O THR A 70 3.382 -6.736 -1.706 1.00 0.00 O ATOM 1031 CB THR A 70 3.553 -8.257 1.139 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.667 -7.384 1.276 1.00 0.00 O ATOM 1033 CG2 THR A 70 3.751 -9.483 2.032 1.00 0.00 C ATOM 0 H THR A 70 5.388 -8.171 -0.871 1.00 0.00 H new ATOM 0 HA THR A 70 2.846 -9.617 -0.374 1.00 0.00 H new ATOM 0 HB THR A 70 2.643 -7.737 1.439 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.746 -7.099 2.210 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.838 -9.166 3.071 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.896 -10.151 1.927 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.660 -10.007 1.735 1.00 0.00 H new ATOM 1041 N PRO A 71 1.383 -7.599 -1.149 1.00 0.00 N ATOM 1042 CA PRO A 71 0.621 -6.574 -1.888 1.00 0.00 C ATOM 1043 C PRO A 71 0.499 -5.275 -1.097 1.00 0.00 C ATOM 1044 O PRO A 71 0.689 -4.183 -1.631 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.742 -7.234 -2.048 1.00 0.00 C ATOM 1046 CG PRO A 71 -0.873 -8.258 -0.927 1.00 0.00 C ATOM 1047 CD PRO A 71 0.543 -8.605 -0.459 1.00 0.00 C ATOM 0 HA PRO A 71 1.093 -6.289 -2.828 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.539 -6.493 -1.989 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.826 -7.715 -3.022 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.461 -7.853 -0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.390 -9.150 -1.280 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.638 -8.534 0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.821 -9.621 -0.737 1.00 0.00 H new ATOM 1055 N ARG A 72 0.182 -5.416 0.190 1.00 0.00 N ATOM 1056 CA ARG A 72 0.038 -4.256 1.070 1.00 0.00 C ATOM 1057 C ARG A 72 1.311 -3.404 1.079 1.00 0.00 C ATOM 1058 O ARG A 72 1.273 -2.222 1.416 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.265 -4.707 2.500 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.136 -3.657 3.196 1.00 0.00 C ATOM 1061 CD ARG A 72 -1.932 -4.316 4.323 1.00 0.00 C ATOM 1062 NE ARG A 72 -2.862 -3.363 4.923 1.00 0.00 N ATOM 1063 CZ ARG A 72 -4.177 -3.535 4.825 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -4.758 -4.511 5.467 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -4.887 -2.727 4.086 1.00 0.00 N ATOM 0 H ARG A 72 0.021 -6.315 0.644 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.788 -3.656 0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.777 -5.669 2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.664 -4.848 3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.511 -2.859 3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.815 -3.199 2.477 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.482 -5.173 3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.250 -4.694 5.084 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.497 -2.553 5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.204 -5.143 6.045 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.767 -4.642 5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.433 -1.964 3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.896 -2.859 4.011 1.00 0.00 H new ATOM 1079 N GLU A 73 2.439 -4.015 0.710 1.00 0.00 N ATOM 1080 CA GLU A 73 3.710 -3.295 0.685 1.00 0.00 C ATOM 1081 C GLU A 73 3.769 -2.351 -0.513 1.00 0.00 C ATOM 1082 O GLU A 73 4.231 -1.215 -0.404 1.00 0.00 O ATOM 1083 CB GLU A 73 4.880 -4.276 0.601 1.00 0.00 C ATOM 1084 CG GLU A 73 6.180 -3.556 0.966 1.00 0.00 C ATOM 1085 CD GLU A 73 6.264 -3.394 2.480 1.00 0.00 C ATOM 1086 OE1 GLU A 73 6.731 -4.313 3.130 1.00 0.00 O ATOM 1087 OE2 GLU A 73 5.860 -2.350 2.967 1.00 0.00 O ATOM 0 H GLU A 73 2.497 -4.994 0.428 1.00 0.00 H new ATOM 0 HA GLU A 73 3.784 -2.717 1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.714 -5.114 1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.951 -4.688 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.037 -4.123 0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.216 -2.580 0.483 1.00 0.00 H new ATOM 1094 N LEU A 74 3.295 -2.835 -1.660 1.00 0.00 N ATOM 1095 CA LEU A 74 3.299 -2.028 -2.880 1.00 0.00 C ATOM 1096 C LEU A 74 2.466 -0.762 -2.679 1.00 0.00 C ATOM 1097 O LEU A 74 2.893 0.343 -3.018 1.00 0.00 O ATOM 1098 CB LEU A 74 2.725 -2.836 -4.054 1.00 0.00 C ATOM 1099 CG LEU A 74 3.563 -2.592 -5.311 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.713 -3.598 -5.359 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.682 -2.768 -6.551 1.00 0.00 C ATOM 0 H LEU A 74 2.907 -3.772 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 74 4.328 -1.749 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.721 -3.898 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.690 -2.547 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 74 3.966 -1.579 -5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.311 -3.425 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.340 -3.477 -4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.310 -4.610 -5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.277 -2.595 -7.448 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.281 -3.781 -6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.860 -2.053 -6.517 1.00 0.00 H new ATOM 1113 N LEU A 75 1.274 -0.942 -2.115 1.00 0.00 N ATOM 1114 CA LEU A 75 0.378 0.184 -1.855 1.00 0.00 C ATOM 1115 C LEU A 75 1.045 1.187 -0.917 1.00 0.00 C ATOM 1116 O LEU A 75 1.074 2.378 -1.190 1.00 0.00 O ATOM 1117 CB LEU A 75 -0.930 -0.326 -1.225 1.00 0.00 C ATOM 1118 CG LEU A 75 -1.877 0.841 -0.893 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.705 1.206 -2.124 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -2.811 0.416 0.238 1.00 0.00 C ATOM 0 H LEU A 75 0.907 -1.850 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 75 0.155 0.680 -2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.423 -1.015 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.706 -0.886 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.292 1.708 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.373 2.033 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.040 1.503 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.294 0.343 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.486 1.237 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.392 -0.451 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.222 0.158 1.119 1.00 0.00 H new ATOM 1132 N ASP A 76 1.560 0.692 0.199 1.00 0.00 N ATOM 1133 CA ASP A 76 2.207 1.565 1.174 1.00 0.00 C ATOM 1134 C ASP A 76 3.533 2.126 0.647 1.00 0.00 C ATOM 1135 O ASP A 76 4.117 3.022 1.255 1.00 0.00 O ATOM 1136 CB ASP A 76 2.477 0.803 2.473 1.00 0.00 C ATOM 1137 CG ASP A 76 2.627 1.794 3.623 1.00 0.00 C ATOM 1138 OD1 ASP A 76 1.612 2.237 4.133 1.00 0.00 O ATOM 1139 OD2 ASP A 76 3.755 2.095 3.975 1.00 0.00 O ATOM 0 H ASP A 76 1.545 -0.296 0.452 1.00 0.00 H new ATOM 0 HA ASP A 76 1.526 2.396 1.359 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.659 0.112 2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.383 0.204 2.374 1.00 0.00 H new ATOM 1144 N LEU A 77 4.013 1.594 -0.479 1.00 0.00 N ATOM 1145 CA LEU A 77 5.275 2.067 -1.043 1.00 0.00 C ATOM 1146 C LEU A 77 5.075 3.353 -1.841 1.00 0.00 C ATOM 1147 O LEU A 77 5.672 4.385 -1.535 1.00 0.00 O ATOM 1148 CB LEU A 77 5.884 1.003 -1.960 1.00 0.00 C ATOM 1149 CG LEU A 77 7.387 1.250 -2.100 1.00 0.00 C ATOM 1150 CD1 LEU A 77 8.103 0.787 -0.829 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.922 0.466 -3.297 1.00 0.00 C ATOM 0 H LEU A 77 3.557 0.851 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 77 5.950 2.266 -0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.705 0.009 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.407 1.035 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 77 7.566 2.315 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.174 0.963 -0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.722 1.345 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.923 -0.277 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.993 0.641 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.741 -0.598 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.414 0.795 -4.204 1.00 0.00 H new ATOM 1163 N ILE A 78 4.235 3.282 -2.871 1.00 0.00 N ATOM 1164 CA ILE A 78 3.977 4.453 -3.709 1.00 0.00 C ATOM 1165 C ILE A 78 3.107 5.462 -2.964 1.00 0.00 C ATOM 1166 O ILE A 78 3.348 6.668 -3.004 1.00 0.00 O ATOM 1167 CB ILE A 78 3.273 4.037 -5.006 1.00 0.00 C ATOM 1168 CG1 ILE A 78 4.097 2.953 -5.711 1.00 0.00 C ATOM 1169 CG2 ILE A 78 3.136 5.248 -5.933 1.00 0.00 C ATOM 1170 CD1 ILE A 78 3.163 2.042 -6.508 1.00 0.00 C ATOM 0 H ILE A 78 3.728 2.440 -3.144 1.00 0.00 H new ATOM 0 HA ILE A 78 4.935 4.914 -3.950 1.00 0.00 H new ATOM 0 HB ILE A 78 2.283 3.649 -4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.829 3.412 -6.375 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.654 2.369 -4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.635 4.947 -6.853 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.550 6.021 -5.437 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.126 5.639 -6.170 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.748 1.271 -7.010 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.448 1.573 -5.832 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.627 2.632 -7.251 1.00 0.00 H new ATOM 1182 N ASN A 79 2.092 4.945 -2.290 1.00 0.00 N ATOM 1183 CA ASN A 79 1.168 5.785 -1.531 1.00 0.00 C ATOM 1184 C ASN A 79 1.886 6.472 -0.373 1.00 0.00 C ATOM 1185 O ASN A 79 1.687 7.659 -0.120 1.00 0.00 O ATOM 1186 CB ASN A 79 0.027 4.933 -0.969 1.00 0.00 C ATOM 1187 CG ASN A 79 -1.043 5.828 -0.350 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -1.010 7.051 -0.498 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -2.003 5.280 0.341 1.00 0.00 N ATOM 0 H ASN A 79 1.884 3.947 -2.251 1.00 0.00 H new ATOM 0 HA ASN A 79 0.770 6.543 -2.206 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.410 4.327 -1.763 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.414 4.244 -0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.727 5.864 0.760 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.030 4.268 0.463 1.00 0.00 H new ATOM 1196 N GLY A 80 2.716 5.709 0.333 1.00 0.00 N ATOM 1197 CA GLY A 80 3.452 6.253 1.471 1.00 0.00 C ATOM 1198 C GLY A 80 4.403 7.360 1.027 1.00 0.00 C ATOM 1199 O GLY A 80 4.571 8.366 1.717 1.00 0.00 O ATOM 0 H GLY A 80 2.895 4.723 0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.751 6.644 2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.016 5.457 1.958 1.00 0.00 H new ATOM 1203 N ALA A 81 5.025 7.163 -0.131 1.00 0.00 N ATOM 1204 CA ALA A 81 5.962 8.153 -0.657 1.00 0.00 C ATOM 1205 C ALA A 81 5.226 9.432 -1.041 1.00 0.00 C ATOM 1206 O ALA A 81 5.763 10.533 -0.928 1.00 0.00 O ATOM 1207 CB ALA A 81 6.685 7.606 -1.888 1.00 0.00 C ATOM 0 H ALA A 81 4.901 6.338 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 81 6.691 8.373 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.379 8.357 -2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.237 6.706 -1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.955 7.364 -2.661 1.00 0.00 H new ATOM 1213 N LEU A 82 3.988 9.272 -1.498 1.00 0.00 N ATOM 1214 CA LEU A 82 3.178 10.420 -1.901 1.00 0.00 C ATOM 1215 C LEU A 82 2.728 11.216 -0.679 1.00 0.00 C ATOM 1216 O LEU A 82 2.528 12.429 -0.750 1.00 0.00 O ATOM 1217 CB LEU A 82 1.943 9.955 -2.677 1.00 0.00 C ATOM 1218 CG LEU A 82 2.264 9.914 -4.173 1.00 0.00 C ATOM 1219 CD1 LEU A 82 1.461 8.796 -4.841 1.00 0.00 C ATOM 1220 CD2 LEU A 82 1.894 11.256 -4.808 1.00 0.00 C ATOM 0 H LEU A 82 3.526 8.368 -1.599 1.00 0.00 H new ATOM 0 HA LEU A 82 3.791 11.056 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.635 8.967 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.108 10.631 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 82 3.329 9.725 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.691 8.769 -5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.723 7.840 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.396 8.982 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.122 11.229 -5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.829 11.443 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.467 12.053 -4.334 1.00 0.00 H new ATOM 1232 N ALA A 83 2.567 10.522 0.445 1.00 0.00 N ATOM 1233 CA ALA A 83 2.135 11.173 1.678 1.00 0.00 C ATOM 1234 C ALA A 83 3.265 12.014 2.265 1.00 0.00 C ATOM 1235 O ALA A 83 3.030 13.061 2.870 1.00 0.00 O ATOM 1236 CB ALA A 83 1.704 10.128 2.711 1.00 0.00 C ATOM 0 H ALA A 83 2.728 9.518 0.527 1.00 0.00 H new ATOM 0 HA ALA A 83 1.290 11.819 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.385 10.630 3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.877 9.541 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.543 9.469 2.933 1.00 0.00 H new ATOM 1242 N GLU A 84 4.495 11.542 2.084 1.00 0.00 N ATOM 1243 CA GLU A 84 5.659 12.254 2.603 1.00 0.00 C ATOM 1244 C GLU A 84 5.963 13.482 1.749 1.00 0.00 C ATOM 1245 O GLU A 84 6.376 14.524 2.261 1.00 0.00 O ATOM 1246 CB GLU A 84 6.885 11.338 2.612 1.00 0.00 C ATOM 1247 CG GLU A 84 6.886 10.498 3.892 1.00 0.00 C ATOM 1248 CD GLU A 84 8.322 10.177 4.289 1.00 0.00 C ATOM 1249 OE1 GLU A 84 8.951 11.024 4.903 1.00 0.00 O ATOM 1250 OE2 GLU A 84 8.772 9.088 3.976 1.00 0.00 O ATOM 0 H GLU A 84 4.711 10.678 1.587 1.00 0.00 H new ATOM 0 HA GLU A 84 5.432 12.570 3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.872 10.687 1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.797 11.933 2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.388 11.040 4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.326 9.576 3.735 1.00 0.00 H new ATOM 1257 N ALA A 85 5.756 13.348 0.443 1.00 0.00 N ATOM 1258 CA ALA A 85 6.012 14.454 -0.477 1.00 0.00 C ATOM 1259 C ALA A 85 5.038 15.599 -0.220 1.00 0.00 C ATOM 1260 O ALA A 85 5.418 16.770 -0.222 1.00 0.00 O ATOM 1261 CB ALA A 85 5.862 13.990 -1.927 1.00 0.00 C ATOM 0 H ALA A 85 5.415 12.495 -0.000 1.00 0.00 H new ATOM 0 HA ALA A 85 7.032 14.800 -0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.056 14.826 -2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.574 13.190 -2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.849 13.623 -2.088 1.00 0.00 H new ATOM 1267 N ALA A 86 3.775 15.247 0.001 1.00 0.00 N ATOM 1268 CA ALA A 86 2.748 16.252 0.260 1.00 0.00 C ATOM 1269 C ALA A 86 2.581 16.471 1.759 1.00 0.00 C ATOM 1270 O ALA A 86 2.259 17.583 2.144 1.00 0.00 O ATOM 1271 CB ALA A 86 1.407 15.814 -0.333 1.00 0.00 C ATOM 1272 OXT ALA A 86 2.780 15.522 2.501 1.00 0.00 O ATOM 0 H ALA A 86 3.440 14.284 0.006 1.00 0.00 H new ATOM 0 HA ALA A 86 3.065 17.183 -0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.654 16.575 -0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.511 15.684 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.100 14.871 0.119 1.00 0.00 H new TER 1278 ALA A 86