USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 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 42 SER OG : rot 179:sc= 0.432 USER MOD Set 1.2: A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0891 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.369 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 96:sc= 0.0639 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -33:sc= 0.601 USER MOD Single : A 27 SER OG : rot -59:sc= 1.2 USER MOD Single : A 40 TYR OH : rot 169:sc= -0.31 USER MOD Single : A 48 THR OG1 : rot -169:sc= -0.838 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 16:sc= 1.01 USER MOD Single : A 70 THR OG1 : rot -170:sc= -1.05 USER MOD Single : A 79 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.183 18.943 -1.744 1.00 0.00 N ATOM 2 CA MET A 1 -7.847 17.755 -2.577 1.00 0.00 C ATOM 3 C MET A 1 -7.020 16.773 -1.752 1.00 0.00 C ATOM 4 O MET A 1 -5.791 16.763 -1.820 1.00 0.00 O ATOM 5 CB MET A 1 -7.041 18.200 -3.798 1.00 0.00 C ATOM 6 CG MET A 1 -7.176 17.156 -4.909 1.00 0.00 C ATOM 7 SD MET A 1 -5.904 15.885 -4.698 1.00 0.00 S ATOM 8 CE MET A 1 -4.733 16.534 -5.916 1.00 0.00 C ATOM 0 H1 MET A 1 -8.747 19.613 -2.306 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.731 18.641 -0.913 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.306 19.406 -1.430 1.00 0.00 H new ATOM 0 HA MET A 1 -8.766 17.270 -2.906 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.398 19.168 -4.149 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.992 18.326 -3.528 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.167 16.703 -4.879 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.072 17.631 -5.884 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.853 15.891 -5.953 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.206 16.559 -6.898 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.433 17.543 -5.631 1.00 0.00 H new ATOM 20 N ALA A 2 -7.711 15.946 -0.971 1.00 0.00 N ATOM 21 CA ALA A 2 -7.033 14.960 -0.134 1.00 0.00 C ATOM 22 C ALA A 2 -7.515 13.553 -0.471 1.00 0.00 C ATOM 23 O ALA A 2 -8.604 13.141 -0.073 1.00 0.00 O ATOM 24 CB ALA A 2 -7.302 15.238 1.346 1.00 0.00 C ATOM 0 H ALA A 2 -8.729 15.938 -0.900 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.963 15.034 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.789 14.494 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.935 16.232 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.374 15.187 1.537 1.00 0.00 H new ATOM 30 N THR A 3 -6.689 12.822 -1.214 1.00 0.00 N ATOM 31 CA THR A 3 -7.037 11.458 -1.606 1.00 0.00 C ATOM 32 C THR A 3 -5.783 10.594 -1.689 1.00 0.00 C ATOM 33 O THR A 3 -4.950 10.765 -2.580 1.00 0.00 O ATOM 34 CB THR A 3 -7.738 11.453 -2.965 1.00 0.00 C ATOM 35 OG1 THR A 3 -8.517 12.634 -3.098 1.00 0.00 O ATOM 36 CG2 THR A 3 -8.644 10.226 -3.070 1.00 0.00 C ATOM 0 H THR A 3 -5.783 13.146 -1.554 1.00 0.00 H new ATOM 0 HA THR A 3 -7.710 11.051 -0.851 1.00 0.00 H new ATOM 0 HB THR A 3 -6.992 11.418 -3.759 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.966 12.633 -3.969 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.143 10.224 -4.039 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.045 9.321 -2.969 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.391 10.257 -2.277 1.00 0.00 H new ATOM 44 N LEU A 4 -5.659 9.661 -0.750 1.00 0.00 N ATOM 45 CA LEU A 4 -4.502 8.770 -0.720 1.00 0.00 C ATOM 46 C LEU A 4 -4.837 7.441 -1.393 1.00 0.00 C ATOM 47 O LEU A 4 -5.927 7.259 -1.934 1.00 0.00 O ATOM 48 CB LEU A 4 -4.070 8.503 0.723 1.00 0.00 C ATOM 49 CG LEU A 4 -3.660 9.817 1.388 1.00 0.00 C ATOM 50 CD1 LEU A 4 -4.878 10.455 2.059 1.00 0.00 C ATOM 51 CD2 LEU A 4 -2.587 9.537 2.444 1.00 0.00 C ATOM 0 H LEU A 4 -6.338 9.502 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.688 9.256 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.887 8.042 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.237 7.800 0.740 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.264 10.497 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.584 11.392 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.644 10.652 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.275 9.776 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.292 10.472 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.986 8.857 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.718 9.083 1.968 1.00 0.00 H new ATOM 63 N LEU A 5 -3.885 6.512 -1.348 1.00 0.00 N ATOM 64 CA LEU A 5 -4.088 5.199 -1.952 1.00 0.00 C ATOM 65 C LEU A 5 -4.700 4.247 -0.929 1.00 0.00 C ATOM 66 O LEU A 5 -4.356 4.280 0.250 1.00 0.00 O ATOM 67 CB LEU A 5 -2.755 4.626 -2.445 1.00 0.00 C ATOM 68 CG LEU A 5 -2.964 3.899 -3.776 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.314 4.915 -4.864 1.00 0.00 C ATOM 70 CD2 LEU A 5 -1.681 3.163 -4.163 1.00 0.00 C ATOM 0 H LEU A 5 -2.976 6.642 -0.905 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.764 5.308 -2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.027 5.428 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.348 3.938 -1.704 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.778 3.182 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.463 4.397 -5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.229 5.441 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.500 5.633 -4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.830 2.645 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.867 3.880 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.430 2.438 -3.389 1.00 0.00 H new ATOM 82 N THR A 6 -5.619 3.404 -1.388 1.00 0.00 N ATOM 83 CA THR A 6 -6.276 2.457 -0.492 1.00 0.00 C ATOM 84 C THR A 6 -6.243 1.047 -1.074 1.00 0.00 C ATOM 85 O THR A 6 -5.926 0.847 -2.247 1.00 0.00 O ATOM 86 CB THR A 6 -7.732 2.870 -0.256 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.380 1.886 0.538 1.00 0.00 O ATOM 88 CG2 THR A 6 -8.454 3.001 -1.597 1.00 0.00 C ATOM 0 H THR A 6 -5.923 3.356 -2.360 1.00 0.00 H new ATOM 0 HA THR A 6 -5.737 2.464 0.455 1.00 0.00 H new ATOM 0 HB THR A 6 -7.756 3.829 0.261 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.311 2.150 0.691 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.490 3.295 -1.426 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.958 3.758 -2.205 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.430 2.044 -2.118 1.00 0.00 H new ATOM 96 N THR A 7 -6.579 0.068 -0.232 1.00 0.00 N ATOM 97 CA THR A 7 -6.598 -1.339 -0.648 1.00 0.00 C ATOM 98 C THR A 7 -7.424 -1.520 -1.922 1.00 0.00 C ATOM 99 O THR A 7 -7.058 -2.285 -2.815 1.00 0.00 O ATOM 100 CB THR A 7 -7.200 -2.204 0.466 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.488 -1.976 1.674 1.00 0.00 O ATOM 102 CG2 THR A 7 -7.102 -3.685 0.089 1.00 0.00 C ATOM 0 H THR A 7 -6.842 0.221 0.742 1.00 0.00 H new ATOM 0 HA THR A 7 -5.571 -1.648 -0.845 1.00 0.00 H new ATOM 0 HB THR A 7 -8.249 -1.938 0.600 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.871 -2.526 2.389 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.532 -4.292 0.886 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.649 -3.862 -0.837 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.056 -3.957 -0.050 1.00 0.00 H new ATOM 110 N ASP A 8 -8.543 -0.799 -1.995 1.00 0.00 N ATOM 111 CA ASP A 8 -9.421 -0.875 -3.165 1.00 0.00 C ATOM 112 C ASP A 8 -8.643 -0.538 -4.435 1.00 0.00 C ATOM 113 O ASP A 8 -8.763 -1.218 -5.454 1.00 0.00 O ATOM 114 CB ASP A 8 -10.590 0.101 -3.023 1.00 0.00 C ATOM 115 CG ASP A 8 -11.420 -0.273 -1.800 1.00 0.00 C ATOM 116 OD1 ASP A 8 -11.686 -1.450 -1.626 1.00 0.00 O ATOM 117 OD2 ASP A 8 -11.778 0.625 -1.054 1.00 0.00 O ATOM 0 H ASP A 8 -8.862 -0.161 -1.266 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.806 -1.893 -3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.217 1.120 -2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.211 0.074 -3.919 1.00 0.00 H new ATOM 122 N ASP A 9 -7.830 0.512 -4.354 1.00 0.00 N ATOM 123 CA ASP A 9 -7.017 0.924 -5.496 1.00 0.00 C ATOM 124 C ASP A 9 -5.994 -0.161 -5.824 1.00 0.00 C ATOM 125 O ASP A 9 -5.605 -0.339 -6.977 1.00 0.00 O ATOM 126 CB ASP A 9 -6.280 2.229 -5.192 1.00 0.00 C ATOM 127 CG ASP A 9 -6.013 2.977 -6.493 1.00 0.00 C ATOM 128 OD1 ASP A 9 -4.990 2.714 -7.105 1.00 0.00 O ATOM 129 OD2 ASP A 9 -6.834 3.801 -6.859 1.00 0.00 O ATOM 0 H ASP A 9 -7.717 1.088 -3.520 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.679 1.079 -6.348 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.875 2.847 -4.520 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.340 2.018 -4.682 1.00 0.00 H new ATOM 134 N LEU A 10 -5.567 -0.888 -4.790 1.00 0.00 N ATOM 135 CA LEU A 10 -4.592 -1.964 -4.959 1.00 0.00 C ATOM 136 C LEU A 10 -5.103 -3.003 -5.956 1.00 0.00 C ATOM 137 O LEU A 10 -4.445 -3.313 -6.949 1.00 0.00 O ATOM 138 CB LEU A 10 -4.349 -2.660 -3.614 1.00 0.00 C ATOM 139 CG LEU A 10 -2.928 -3.230 -3.552 1.00 0.00 C ATOM 140 CD1 LEU A 10 -2.713 -3.895 -2.193 1.00 0.00 C ATOM 141 CD2 LEU A 10 -2.736 -4.278 -4.649 1.00 0.00 C ATOM 0 H LEU A 10 -5.881 -0.751 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.666 -1.527 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.499 -1.951 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.075 -3.462 -3.477 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.213 -2.420 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.703 -4.303 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.846 -3.157 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.436 -4.700 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.723 -4.678 -4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.453 -5.087 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.895 -3.817 -5.624 1.00 0.00 H new ATOM 153 N ARG A 11 -6.282 -3.544 -5.665 1.00 0.00 N ATOM 154 CA ARG A 11 -6.886 -4.562 -6.521 1.00 0.00 C ATOM 155 C ARG A 11 -7.158 -4.024 -7.923 1.00 0.00 C ATOM 156 O ARG A 11 -6.670 -4.564 -8.913 1.00 0.00 O ATOM 157 CB ARG A 11 -8.205 -5.044 -5.916 1.00 0.00 C ATOM 158 CG ARG A 11 -8.423 -6.514 -6.279 1.00 0.00 C ATOM 159 CD ARG A 11 -9.920 -6.787 -6.431 1.00 0.00 C ATOM 160 NE ARG A 11 -10.520 -5.869 -7.395 1.00 0.00 N ATOM 161 CZ ARG A 11 -11.841 -5.764 -7.511 1.00 0.00 C ATOM 162 NH1 ARG A 11 -12.501 -6.612 -8.254 1.00 0.00 N ATOM 163 NH2 ARG A 11 -12.479 -4.814 -6.882 1.00 0.00 N ATOM 0 H ARG A 11 -6.837 -3.296 -4.846 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.179 -5.389 -6.592 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.186 -4.924 -4.833 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.032 -4.439 -6.289 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.904 -6.751 -7.208 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.002 -7.157 -5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.075 -7.816 -6.757 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.413 -6.680 -5.465 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.917 -5.299 -7.989 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.003 -7.355 -8.745 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.514 -6.531 -8.343 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.964 -4.152 -6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.492 -4.734 -6.971 1.00 0.00 H new ATOM 177 N ARG A 12 -7.957 -2.962 -7.994 1.00 0.00 N ATOM 178 CA ARG A 12 -8.316 -2.356 -9.281 1.00 0.00 C ATOM 179 C ARG A 12 -7.080 -2.017 -10.119 1.00 0.00 C ATOM 180 O ARG A 12 -7.163 -1.901 -11.342 1.00 0.00 O ATOM 181 CB ARG A 12 -9.122 -1.076 -9.055 1.00 0.00 C ATOM 182 CG ARG A 12 -10.144 -0.909 -10.182 1.00 0.00 C ATOM 183 CD ARG A 12 -11.258 0.035 -9.727 1.00 0.00 C ATOM 184 NE ARG A 12 -12.085 0.439 -10.861 1.00 0.00 N ATOM 185 CZ ARG A 12 -13.327 -0.017 -10.998 1.00 0.00 C ATOM 186 NH1 ARG A 12 -14.145 0.003 -9.983 1.00 0.00 N ATOM 187 NH2 ARG A 12 -13.727 -0.484 -12.150 1.00 0.00 N ATOM 0 H ARG A 12 -8.368 -2.502 -7.182 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.912 -3.089 -9.824 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.631 -1.120 -8.092 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.455 -0.214 -9.024 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.657 -0.511 -11.072 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.563 -1.878 -10.454 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.876 -0.458 -8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.825 0.916 -9.254 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.705 1.080 -11.558 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.833 0.368 -9.083 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.097 -0.347 -10.089 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.087 -0.499 -12.944 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.679 -0.834 -12.256 1.00 0.00 H new ATOM 201 N ALA A 13 -5.939 -1.850 -9.458 1.00 0.00 N ATOM 202 CA ALA A 13 -4.705 -1.516 -10.166 1.00 0.00 C ATOM 203 C ALA A 13 -4.080 -2.762 -10.790 1.00 0.00 C ATOM 204 O ALA A 13 -3.550 -2.717 -11.901 1.00 0.00 O ATOM 205 CB ALA A 13 -3.695 -0.882 -9.207 1.00 0.00 C ATOM 0 H ALA A 13 -5.841 -1.939 -8.447 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.958 -0.808 -10.955 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.781 -0.639 -9.749 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.118 0.028 -8.783 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.465 -1.583 -8.405 1.00 0.00 H new ATOM 211 N LEU A 14 -4.138 -3.869 -10.058 1.00 0.00 N ATOM 212 CA LEU A 14 -3.564 -5.125 -10.541 1.00 0.00 C ATOM 213 C LEU A 14 -4.433 -5.760 -11.631 1.00 0.00 C ATOM 214 O LEU A 14 -3.957 -6.588 -12.408 1.00 0.00 O ATOM 215 CB LEU A 14 -3.411 -6.115 -9.383 1.00 0.00 C ATOM 216 CG LEU A 14 -2.036 -5.934 -8.737 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.082 -6.421 -7.288 1.00 0.00 C ATOM 218 CD2 LEU A 14 -0.998 -6.747 -9.513 1.00 0.00 C ATOM 0 H LEU A 14 -4.572 -3.926 -9.136 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.587 -4.895 -10.967 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.196 -5.952 -8.645 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.523 -7.137 -9.746 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.763 -4.879 -8.757 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.102 -6.291 -6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.821 -5.843 -6.733 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.356 -7.476 -7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.018 -6.619 -9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.273 -7.802 -9.493 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.963 -6.401 -10.546 1.00 0.00 H new ATOM 230 N VAL A 15 -5.708 -5.376 -11.683 1.00 0.00 N ATOM 231 CA VAL A 15 -6.616 -5.931 -12.685 1.00 0.00 C ATOM 232 C VAL A 15 -6.558 -5.115 -13.975 1.00 0.00 C ATOM 233 O VAL A 15 -6.412 -5.663 -15.068 1.00 0.00 O ATOM 234 CB VAL A 15 -8.056 -5.935 -12.161 1.00 0.00 C ATOM 235 CG1 VAL A 15 -8.962 -6.678 -13.148 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.104 -6.637 -10.799 1.00 0.00 C ATOM 0 H VAL A 15 -6.130 -4.694 -11.054 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.301 -6.954 -12.890 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.403 -4.907 -12.054 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.985 -6.679 -12.773 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.931 -6.179 -14.117 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.615 -7.705 -13.258 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.128 -6.639 -10.427 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.754 -7.664 -10.906 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.463 -6.107 -10.094 1.00 0.00 H new ATOM 246 N GLU A 16 -6.677 -3.798 -13.834 1.00 0.00 N ATOM 247 CA GLU A 16 -6.642 -2.907 -14.992 1.00 0.00 C ATOM 248 C GLU A 16 -5.320 -3.045 -15.742 1.00 0.00 C ATOM 249 O GLU A 16 -5.259 -2.869 -16.959 1.00 0.00 O ATOM 250 CB GLU A 16 -6.815 -1.452 -14.551 1.00 0.00 C ATOM 251 CG GLU A 16 -8.285 -1.190 -14.218 1.00 0.00 C ATOM 252 CD GLU A 16 -8.578 0.301 -14.343 1.00 0.00 C ATOM 253 OE1 GLU A 16 -8.345 1.013 -13.379 1.00 0.00 O ATOM 254 OE2 GLU A 16 -9.030 0.710 -15.399 1.00 0.00 O ATOM 0 H GLU A 16 -6.798 -3.326 -12.938 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.461 -3.189 -15.654 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.192 -1.249 -13.680 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.485 -0.779 -15.343 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.928 -1.755 -14.893 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.506 -1.531 -13.207 1.00 0.00 H new ATOM 261 N CYS A 17 -4.259 -3.360 -15.002 1.00 0.00 N ATOM 262 CA CYS A 17 -2.940 -3.517 -15.607 1.00 0.00 C ATOM 263 C CYS A 17 -2.733 -4.948 -16.104 1.00 0.00 C ATOM 264 O CYS A 17 -1.951 -5.190 -17.023 1.00 0.00 O ATOM 265 CB CYS A 17 -1.843 -3.181 -14.594 1.00 0.00 C ATOM 266 SG CYS A 17 -1.851 -1.401 -14.267 1.00 0.00 S ATOM 0 H CYS A 17 -4.286 -3.510 -13.993 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.882 -2.832 -16.453 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.006 -3.733 -13.668 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.870 -3.487 -14.980 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.550 -1.159 -13.198 1.00 0.00 H new ATOM 272 N ALA A 18 -3.436 -5.896 -15.484 1.00 0.00 N ATOM 273 CA ALA A 18 -3.312 -7.298 -15.874 1.00 0.00 C ATOM 274 C ALA A 18 -4.425 -7.692 -16.845 1.00 0.00 C ATOM 275 O ALA A 18 -5.015 -8.769 -16.740 1.00 0.00 O ATOM 276 CB ALA A 18 -3.379 -8.199 -14.639 1.00 0.00 C ATOM 0 H ALA A 18 -4.089 -5.721 -14.720 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.349 -7.426 -16.368 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.285 -9.241 -14.944 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.566 -7.945 -13.959 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.334 -8.053 -14.134 1.00 0.00 H new ATOM 282 N GLY A 19 -4.702 -6.809 -17.797 1.00 0.00 N ATOM 283 CA GLY A 19 -5.741 -7.071 -18.790 1.00 0.00 C ATOM 284 C GLY A 19 -7.130 -6.927 -18.179 1.00 0.00 C ATOM 285 O GLY A 19 -7.480 -5.880 -17.634 1.00 0.00 O ATOM 0 H GLY A 19 -4.227 -5.912 -17.904 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.634 -6.379 -19.625 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.619 -8.077 -19.192 1.00 0.00 H new ATOM 289 N GLU A 20 -7.921 -7.992 -18.280 1.00 0.00 N ATOM 290 CA GLU A 20 -9.277 -7.977 -17.737 1.00 0.00 C ATOM 291 C GLU A 20 -9.559 -9.263 -16.967 1.00 0.00 C ATOM 292 O GLU A 20 -10.573 -9.933 -17.176 1.00 0.00 O ATOM 293 CB GLU A 20 -10.295 -7.823 -18.864 1.00 0.00 C ATOM 294 CG GLU A 20 -10.094 -8.935 -19.895 1.00 0.00 C ATOM 295 CD GLU A 20 -11.018 -8.698 -21.084 1.00 0.00 C ATOM 296 OE1 GLU A 20 -12.220 -8.791 -20.903 1.00 0.00 O ATOM 297 OE2 GLU A 20 -10.509 -8.426 -22.159 1.00 0.00 O ATOM 0 H GLU A 20 -7.651 -8.868 -18.728 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.363 -7.130 -17.056 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.307 -7.866 -18.461 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.182 -6.848 -19.339 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.056 -8.955 -20.226 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.304 -9.905 -19.445 1.00 0.00 H new ATOM 304 N THR A 21 -8.646 -9.591 -16.067 1.00 0.00 N ATOM 305 CA THR A 21 -8.785 -10.793 -15.249 1.00 0.00 C ATOM 306 C THR A 21 -7.606 -10.928 -14.298 1.00 0.00 C ATOM 307 O THR A 21 -6.454 -11.030 -14.718 1.00 0.00 O ATOM 308 CB THR A 21 -8.864 -12.052 -16.122 1.00 0.00 C ATOM 309 OG1 THR A 21 -8.731 -13.205 -15.302 1.00 0.00 O ATOM 310 CG2 THR A 21 -7.743 -12.037 -17.164 1.00 0.00 C ATOM 0 H THR A 21 -7.803 -9.047 -15.882 1.00 0.00 H new ATOM 0 HA THR A 21 -9.710 -10.695 -14.680 1.00 0.00 H new ATOM 0 HB THR A 21 -9.827 -12.073 -16.633 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.783 -14.010 -15.859 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.806 -12.934 -17.780 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.846 -11.155 -17.796 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.777 -12.011 -16.659 1.00 0.00 H new ATOM 318 N ASP A 22 -7.914 -10.934 -13.009 1.00 0.00 N ATOM 319 CA ASP A 22 -6.882 -11.065 -11.988 1.00 0.00 C ATOM 320 C ASP A 22 -6.628 -12.537 -11.643 1.00 0.00 C ATOM 321 O ASP A 22 -5.661 -12.859 -10.952 1.00 0.00 O ATOM 322 CB ASP A 22 -7.298 -10.320 -10.718 1.00 0.00 C ATOM 323 CG ASP A 22 -8.656 -10.831 -10.247 1.00 0.00 C ATOM 324 OD1 ASP A 22 -8.679 -11.820 -9.533 1.00 0.00 O ATOM 325 OD2 ASP A 22 -9.652 -10.226 -10.607 1.00 0.00 O ATOM 0 H ASP A 22 -8.863 -10.850 -12.646 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.965 -10.633 -12.388 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.552 -10.467 -9.937 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.349 -9.249 -10.913 1.00 0.00 H new ATOM 330 N GLY A 23 -7.498 -13.434 -12.125 1.00 0.00 N ATOM 331 CA GLY A 23 -7.336 -14.862 -11.846 1.00 0.00 C ATOM 332 C GLY A 23 -7.305 -15.125 -10.342 1.00 0.00 C ATOM 333 O GLY A 23 -6.322 -15.640 -9.809 1.00 0.00 O ATOM 0 H GLY A 23 -8.307 -13.200 -12.700 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.155 -15.420 -12.300 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.414 -15.223 -12.301 1.00 0.00 H new ATOM 337 N THR A 24 -8.394 -14.765 -9.668 1.00 0.00 N ATOM 338 CA THR A 24 -8.496 -14.957 -8.233 1.00 0.00 C ATOM 339 C THR A 24 -9.947 -14.805 -7.799 1.00 0.00 C ATOM 340 O THR A 24 -10.705 -14.015 -8.362 1.00 0.00 O ATOM 341 CB THR A 24 -7.640 -13.931 -7.483 1.00 0.00 C ATOM 342 OG1 THR A 24 -6.314 -13.954 -7.994 1.00 0.00 O ATOM 343 CG2 THR A 24 -7.619 -14.272 -5.991 1.00 0.00 C ATOM 0 H THR A 24 -9.216 -14.339 -10.097 1.00 0.00 H new ATOM 0 HA THR A 24 -8.136 -15.958 -7.995 1.00 0.00 H new ATOM 0 HB THR A 24 -8.065 -12.937 -7.621 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.087 -14.865 -8.275 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.010 -13.541 -5.459 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.636 -14.251 -5.599 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.197 -15.267 -5.851 1.00 0.00 H new ATOM 351 N ASP A 25 -10.317 -15.570 -6.788 1.00 0.00 N ATOM 352 CA ASP A 25 -11.677 -15.527 -6.262 1.00 0.00 C ATOM 353 C ASP A 25 -11.774 -14.462 -5.179 1.00 0.00 C ATOM 354 O ASP A 25 -11.691 -14.749 -3.985 1.00 0.00 O ATOM 355 CB ASP A 25 -12.069 -16.884 -5.676 1.00 0.00 C ATOM 356 CG ASP A 25 -13.551 -17.142 -5.927 1.00 0.00 C ATOM 357 OD1 ASP A 25 -14.338 -16.241 -5.692 1.00 0.00 O ATOM 358 OD2 ASP A 25 -13.876 -18.238 -6.355 1.00 0.00 O ATOM 0 H ASP A 25 -9.699 -16.228 -6.313 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.358 -15.286 -7.078 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.470 -17.674 -6.130 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.863 -16.902 -4.606 1.00 0.00 H new ATOM 363 N LEU A 26 -11.938 -13.223 -5.628 1.00 0.00 N ATOM 364 CA LEU A 26 -12.038 -12.073 -4.729 1.00 0.00 C ATOM 365 C LEU A 26 -13.130 -12.280 -3.685 1.00 0.00 C ATOM 366 O LEU A 26 -14.288 -11.919 -3.889 1.00 0.00 O ATOM 367 CB LEU A 26 -12.353 -10.799 -5.525 1.00 0.00 C ATOM 368 CG LEU A 26 -11.068 -10.200 -6.120 1.00 0.00 C ATOM 369 CD1 LEU A 26 -10.101 -9.817 -4.996 1.00 0.00 C ATOM 370 CD2 LEU A 26 -10.396 -11.217 -7.048 1.00 0.00 C ATOM 0 H LEU A 26 -12.005 -12.985 -6.618 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.078 -11.970 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.058 -11.028 -6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.835 -10.068 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.328 -9.309 -6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.193 -9.393 -5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.573 -9.080 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.848 -10.704 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.487 -10.784 -7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.145 -12.115 -6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.078 -11.477 -7.857 1.00 0.00 H new ATOM 382 N SER A 27 -12.732 -12.859 -2.563 1.00 0.00 N ATOM 383 CA SER A 27 -13.664 -13.113 -1.470 1.00 0.00 C ATOM 384 C SER A 27 -13.168 -12.445 -0.191 1.00 0.00 C ATOM 385 O SER A 27 -13.353 -12.960 0.911 1.00 0.00 O ATOM 386 CB SER A 27 -13.809 -14.616 -1.226 1.00 0.00 C ATOM 387 OG SER A 27 -14.678 -14.831 -0.122 1.00 0.00 O ATOM 0 H SER A 27 -11.775 -13.162 -2.383 1.00 0.00 H new ATOM 0 HA SER A 27 -14.634 -12.699 -1.747 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.206 -15.104 -2.116 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.833 -15.060 -1.027 1.00 0.00 H new ATOM 0 HG SER A 27 -14.313 -14.388 0.672 1.00 0.00 H new ATOM 393 N GLY A 28 -12.528 -11.289 -0.356 1.00 0.00 N ATOM 394 CA GLY A 28 -11.998 -10.551 0.787 1.00 0.00 C ATOM 395 C GLY A 28 -10.537 -10.912 1.028 1.00 0.00 C ATOM 396 O GLY A 28 -10.078 -11.981 0.631 1.00 0.00 O ATOM 0 H GLY A 28 -12.365 -10.847 -1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.089 -9.480 0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.586 -10.777 1.677 1.00 0.00 H new ATOM 400 N ASP A 29 -9.814 -10.000 1.686 1.00 0.00 N ATOM 401 CA ASP A 29 -8.391 -10.208 1.990 1.00 0.00 C ATOM 402 C ASP A 29 -7.543 -10.104 0.714 1.00 0.00 C ATOM 403 O ASP A 29 -6.975 -9.051 0.426 1.00 0.00 O ATOM 404 CB ASP A 29 -8.160 -11.576 2.667 1.00 0.00 C ATOM 405 CG ASP A 29 -7.777 -11.375 4.132 1.00 0.00 C ATOM 406 OD1 ASP A 29 -6.862 -10.608 4.385 1.00 0.00 O ATOM 407 OD2 ASP A 29 -8.405 -11.991 4.979 1.00 0.00 O ATOM 0 H ASP A 29 -10.188 -9.111 2.019 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.083 -9.425 2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.063 -12.182 2.598 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.371 -12.120 2.147 1.00 0.00 H new ATOM 412 N PHE A 30 -7.451 -11.208 -0.040 1.00 0.00 N ATOM 413 CA PHE A 30 -6.665 -11.250 -1.285 1.00 0.00 C ATOM 414 C PHE A 30 -5.303 -10.570 -1.130 1.00 0.00 C ATOM 415 O PHE A 30 -4.734 -10.061 -2.093 1.00 0.00 O ATOM 416 CB PHE A 30 -7.442 -10.606 -2.449 1.00 0.00 C ATOM 417 CG PHE A 30 -7.644 -9.116 -2.233 1.00 0.00 C ATOM 418 CD1 PHE A 30 -6.695 -8.198 -2.711 1.00 0.00 C ATOM 419 CD2 PHE A 30 -8.786 -8.651 -1.567 1.00 0.00 C ATOM 420 CE1 PHE A 30 -6.887 -6.826 -2.522 1.00 0.00 C ATOM 421 CE2 PHE A 30 -8.977 -7.277 -1.377 1.00 0.00 C ATOM 422 CZ PHE A 30 -8.028 -6.364 -1.854 1.00 0.00 C ATOM 0 H PHE A 30 -7.912 -12.088 0.190 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.490 -12.302 -1.511 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.901 -10.769 -3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.411 -11.093 -2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.814 -8.553 -3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.520 -9.353 -1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.155 -6.122 -2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.857 -6.921 -0.862 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.176 -5.304 -1.707 1.00 0.00 H new ATOM 432 N LEU A 31 -4.783 -10.575 0.092 1.00 0.00 N ATOM 433 CA LEU A 31 -3.487 -9.955 0.350 1.00 0.00 C ATOM 434 C LEU A 31 -2.592 -10.857 1.201 1.00 0.00 C ATOM 435 O LEU A 31 -1.619 -10.397 1.798 1.00 0.00 O ATOM 436 CB LEU A 31 -3.679 -8.614 1.058 1.00 0.00 C ATOM 437 CG LEU A 31 -4.322 -7.622 0.082 1.00 0.00 C ATOM 438 CD1 LEU A 31 -5.240 -6.666 0.846 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.227 -6.825 -0.645 1.00 0.00 C ATOM 0 H LEU A 31 -5.229 -10.994 0.908 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.998 -9.798 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.310 -8.740 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.720 -8.231 1.406 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.911 -8.172 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.695 -5.963 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.022 -7.236 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.658 -6.117 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.688 -6.121 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.630 -6.278 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.585 -7.510 -1.198 1.00 0.00 H new ATOM 451 N ASP A 32 -2.913 -12.151 1.231 1.00 0.00 N ATOM 452 CA ASP A 32 -2.112 -13.106 1.988 1.00 0.00 C ATOM 453 C ASP A 32 -1.227 -13.889 1.025 1.00 0.00 C ATOM 454 O ASP A 32 -0.079 -14.214 1.327 1.00 0.00 O ATOM 455 CB ASP A 32 -3.011 -14.080 2.753 1.00 0.00 C ATOM 456 CG ASP A 32 -3.695 -13.347 3.901 1.00 0.00 C ATOM 457 OD1 ASP A 32 -2.997 -12.929 4.811 1.00 0.00 O ATOM 458 OD2 ASP A 32 -4.906 -13.215 3.856 1.00 0.00 O ATOM 0 H ASP A 32 -3.713 -12.556 0.745 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.499 -12.560 2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.758 -14.505 2.083 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.420 -14.910 3.139 1.00 0.00 H new ATOM 463 N LEU A 33 -1.785 -14.170 -0.149 1.00 0.00 N ATOM 464 CA LEU A 33 -1.065 -14.898 -1.186 1.00 0.00 C ATOM 465 C LEU A 33 -1.530 -14.413 -2.558 1.00 0.00 C ATOM 466 O LEU A 33 -2.158 -15.149 -3.320 1.00 0.00 O ATOM 467 CB LEU A 33 -1.315 -16.404 -1.061 1.00 0.00 C ATOM 468 CG LEU A 33 -0.463 -16.972 0.075 1.00 0.00 C ATOM 469 CD1 LEU A 33 -0.903 -18.406 0.375 1.00 0.00 C ATOM 470 CD2 LEU A 33 1.010 -16.968 -0.343 1.00 0.00 C ATOM 0 H LEU A 33 -2.736 -13.903 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 33 0.003 -14.713 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.371 -16.593 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.069 -16.903 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.591 -16.359 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.296 -18.811 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.952 -18.410 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.775 -19.020 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.619 -17.373 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.137 -17.582 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.324 -15.947 -0.558 1.00 0.00 H new ATOM 482 N ARG A 34 -1.229 -13.150 -2.851 1.00 0.00 N ATOM 483 CA ARG A 34 -1.631 -12.555 -4.123 1.00 0.00 C ATOM 484 C ARG A 34 -0.484 -12.611 -5.131 1.00 0.00 C ATOM 485 O ARG A 34 -0.610 -13.211 -6.198 1.00 0.00 O ATOM 486 CB ARG A 34 -2.062 -11.097 -3.915 1.00 0.00 C ATOM 487 CG ARG A 34 -2.616 -10.527 -5.223 1.00 0.00 C ATOM 488 CD ARG A 34 -4.054 -11.009 -5.423 1.00 0.00 C ATOM 489 NE ARG A 34 -4.654 -10.369 -6.591 1.00 0.00 N ATOM 490 CZ ARG A 34 -4.141 -10.546 -7.805 1.00 0.00 C ATOM 491 NH1 ARG A 34 -3.013 -9.975 -8.126 1.00 0.00 N ATOM 492 NH2 ARG A 34 -4.767 -11.288 -8.676 1.00 0.00 N ATOM 0 H ARG A 34 -0.713 -12.524 -2.232 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.472 -13.127 -4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.820 -11.040 -3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.213 -10.502 -3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.587 -9.438 -5.198 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.995 -10.844 -6.061 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.066 -12.092 -5.549 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.645 -10.785 -4.535 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.477 -9.778 -6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.524 -9.393 -7.446 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.620 -10.111 -9.057 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.650 -11.733 -8.426 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.373 -11.424 -9.607 1.00 0.00 H new ATOM 506 N PHE A 35 0.635 -11.981 -4.784 1.00 0.00 N ATOM 507 CA PHE A 35 1.794 -11.972 -5.674 1.00 0.00 C ATOM 508 C PHE A 35 2.309 -13.392 -5.888 1.00 0.00 C ATOM 509 O PHE A 35 2.378 -13.880 -7.015 1.00 0.00 O ATOM 510 CB PHE A 35 2.921 -11.107 -5.088 1.00 0.00 C ATOM 511 CG PHE A 35 2.758 -9.660 -5.521 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.487 -9.063 -5.551 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.885 -8.904 -5.883 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.347 -7.728 -5.941 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.739 -7.569 -6.274 1.00 0.00 C ATOM 516 CZ PHE A 35 2.474 -6.985 -6.303 1.00 0.00 C ATOM 0 H PHE A 35 0.764 -11.477 -3.907 1.00 0.00 H new ATOM 0 HA PHE A 35 1.482 -11.551 -6.630 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.909 -11.171 -4.000 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.888 -11.486 -5.419 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.616 -9.637 -5.272 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.866 -9.354 -5.859 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.369 -7.271 -5.963 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.607 -6.990 -6.554 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.364 -5.954 -6.606 1.00 0.00 H new ATOM 526 N GLU A 36 2.664 -14.052 -4.788 1.00 0.00 N ATOM 527 CA GLU A 36 3.169 -15.420 -4.860 1.00 0.00 C ATOM 528 C GLU A 36 2.010 -16.415 -4.863 1.00 0.00 C ATOM 529 O GLU A 36 1.724 -17.067 -3.857 1.00 0.00 O ATOM 530 CB GLU A 36 4.085 -15.715 -3.670 1.00 0.00 C ATOM 531 CG GLU A 36 5.351 -14.865 -3.777 1.00 0.00 C ATOM 532 CD GLU A 36 6.380 -15.591 -4.636 1.00 0.00 C ATOM 533 OE1 GLU A 36 7.156 -16.351 -4.081 1.00 0.00 O ATOM 534 OE2 GLU A 36 6.378 -15.376 -5.838 1.00 0.00 O ATOM 0 H GLU A 36 2.612 -13.666 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 36 3.736 -15.524 -5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.567 -15.498 -2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.345 -16.773 -3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.115 -13.895 -4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.759 -14.675 -2.784 1.00 0.00 H new ATOM 541 N ASP A 37 1.343 -16.519 -6.008 1.00 0.00 N ATOM 542 CA ASP A 37 0.212 -17.434 -6.139 1.00 0.00 C ATOM 543 C ASP A 37 -0.043 -17.765 -7.605 1.00 0.00 C ATOM 544 O ASP A 37 0.108 -18.910 -8.033 1.00 0.00 O ATOM 545 CB ASP A 37 -1.051 -16.810 -5.542 1.00 0.00 C ATOM 546 CG ASP A 37 -2.159 -17.857 -5.484 1.00 0.00 C ATOM 547 OD1 ASP A 37 -1.854 -18.997 -5.173 1.00 0.00 O ATOM 548 OD2 ASP A 37 -3.295 -17.504 -5.752 1.00 0.00 O ATOM 0 H ASP A 37 1.562 -15.988 -6.851 1.00 0.00 H new ATOM 0 HA ASP A 37 0.457 -18.349 -5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.843 -16.429 -4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.370 -15.961 -6.146 1.00 0.00 H new ATOM 553 N ILE A 38 -0.437 -16.751 -8.370 1.00 0.00 N ATOM 554 CA ILE A 38 -0.716 -16.947 -9.791 1.00 0.00 C ATOM 555 C ILE A 38 0.579 -16.941 -10.611 1.00 0.00 C ATOM 556 O ILE A 38 0.631 -17.490 -11.713 1.00 0.00 O ATOM 557 CB ILE A 38 -1.670 -15.855 -10.310 1.00 0.00 C ATOM 558 CG1 ILE A 38 -0.979 -14.481 -10.310 1.00 0.00 C ATOM 559 CG2 ILE A 38 -2.903 -15.785 -9.408 1.00 0.00 C ATOM 560 CD1 ILE A 38 -1.889 -13.444 -10.981 1.00 0.00 C ATOM 0 H ILE A 38 -0.569 -15.796 -8.036 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.194 -17.920 -9.906 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.959 -16.108 -11.330 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.756 -14.176 -9.288 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.028 -14.541 -10.840 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.579 -15.012 -9.775 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.414 -16.748 -9.415 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.596 -15.545 -8.390 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.396 -12.472 -10.979 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.090 -13.747 -12.009 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.829 -13.375 -10.433 1.00 0.00 H new ATOM 572 N GLY A 39 1.619 -16.311 -10.067 1.00 0.00 N ATOM 573 CA GLY A 39 2.899 -16.238 -10.765 1.00 0.00 C ATOM 574 C GLY A 39 3.597 -14.894 -10.528 1.00 0.00 C ATOM 575 O GLY A 39 4.782 -14.747 -10.820 1.00 0.00 O ATOM 0 H GLY A 39 1.601 -15.850 -9.157 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.545 -17.048 -10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.740 -16.382 -11.834 1.00 0.00 H new ATOM 579 N TYR A 40 2.856 -13.912 -10.002 1.00 0.00 N ATOM 580 CA TYR A 40 3.430 -12.590 -9.743 1.00 0.00 C ATOM 581 C TYR A 40 4.605 -12.688 -8.776 1.00 0.00 C ATOM 582 O TYR A 40 4.433 -12.614 -7.559 1.00 0.00 O ATOM 583 CB TYR A 40 2.378 -11.660 -9.135 1.00 0.00 C ATOM 584 CG TYR A 40 1.558 -11.031 -10.234 1.00 0.00 C ATOM 585 CD1 TYR A 40 2.150 -10.115 -11.112 1.00 0.00 C ATOM 586 CD2 TYR A 40 0.204 -11.361 -10.375 1.00 0.00 C ATOM 587 CE1 TYR A 40 1.389 -9.529 -12.130 1.00 0.00 C ATOM 588 CE2 TYR A 40 -0.557 -10.775 -11.394 1.00 0.00 C ATOM 589 CZ TYR A 40 0.036 -9.860 -12.272 1.00 0.00 C ATOM 590 OH TYR A 40 -0.713 -9.283 -13.276 1.00 0.00 O ATOM 0 H TYR A 40 1.872 -14.006 -9.751 1.00 0.00 H new ATOM 0 HA TYR A 40 3.775 -12.189 -10.696 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.730 -12.220 -8.460 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.863 -10.885 -8.541 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.194 -9.861 -11.004 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.253 -12.067 -9.698 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.846 -8.821 -12.806 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.601 -11.029 -11.503 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.575 -9.744 -13.348 1.00 0.00 H new ATOM 600 N ASP A 41 5.803 -12.842 -9.328 1.00 0.00 N ATOM 601 CA ASP A 41 6.999 -12.933 -8.501 1.00 0.00 C ATOM 602 C ASP A 41 7.684 -11.575 -8.436 1.00 0.00 C ATOM 603 O ASP A 41 8.121 -11.129 -7.375 1.00 0.00 O ATOM 604 CB ASP A 41 7.974 -13.968 -9.070 1.00 0.00 C ATOM 605 CG ASP A 41 8.307 -13.628 -10.520 1.00 0.00 C ATOM 606 OD1 ASP A 41 7.520 -13.977 -11.384 1.00 0.00 O ATOM 607 OD2 ASP A 41 9.344 -13.025 -10.742 1.00 0.00 O ATOM 0 H ASP A 41 5.971 -12.906 -10.332 1.00 0.00 H new ATOM 0 HA ASP A 41 6.702 -13.244 -7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.886 -13.987 -8.473 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.535 -14.964 -9.013 1.00 0.00 H new ATOM 612 N SER A 42 7.763 -10.922 -9.592 1.00 0.00 N ATOM 613 CA SER A 42 8.386 -9.602 -9.685 1.00 0.00 C ATOM 614 C SER A 42 8.476 -9.163 -11.143 1.00 0.00 C ATOM 615 O SER A 42 8.242 -8.001 -11.469 1.00 0.00 O ATOM 616 CB SER A 42 9.799 -9.613 -9.088 1.00 0.00 C ATOM 617 OG SER A 42 10.465 -8.403 -9.430 1.00 0.00 O ATOM 0 H SER A 42 7.405 -11.283 -10.476 1.00 0.00 H new ATOM 0 HA SER A 42 7.765 -8.905 -9.121 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.747 -9.719 -8.004 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.359 -10.469 -9.466 1.00 0.00 H new ATOM 0 HG SER A 42 11.363 -8.401 -9.037 1.00 0.00 H new ATOM 623 N LEU A 43 8.822 -10.109 -12.013 1.00 0.00 N ATOM 624 CA LEU A 43 8.947 -9.816 -13.439 1.00 0.00 C ATOM 625 C LEU A 43 7.594 -9.431 -14.030 1.00 0.00 C ATOM 626 O LEU A 43 7.493 -8.500 -14.829 1.00 0.00 O ATOM 627 CB LEU A 43 9.491 -11.033 -14.189 1.00 0.00 C ATOM 628 CG LEU A 43 11.019 -11.031 -14.124 1.00 0.00 C ATOM 629 CD1 LEU A 43 11.474 -11.541 -12.756 1.00 0.00 C ATOM 630 CD2 LEU A 43 11.576 -11.945 -15.219 1.00 0.00 C ATOM 0 H LEU A 43 9.019 -11.077 -11.759 1.00 0.00 H new ATOM 0 HA LEU A 43 9.639 -8.981 -13.549 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.099 -11.950 -13.749 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.161 -11.011 -15.227 1.00 0.00 H new ATOM 0 HG LEU A 43 11.387 -10.016 -14.273 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.563 -11.539 -12.711 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.077 -10.892 -11.975 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.106 -12.556 -12.605 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.665 -11.945 -15.174 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.207 -12.960 -15.069 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.253 -11.582 -16.195 1.00 0.00 H new ATOM 642 N ALA A 44 6.555 -10.160 -13.629 1.00 0.00 N ATOM 643 CA ALA A 44 5.207 -9.889 -14.126 1.00 0.00 C ATOM 644 C ALA A 44 4.782 -8.468 -13.765 1.00 0.00 C ATOM 645 O ALA A 44 4.453 -7.661 -14.635 1.00 0.00 O ATOM 646 CB ALA A 44 4.205 -10.876 -13.523 1.00 0.00 C ATOM 0 H ALA A 44 6.618 -10.935 -12.969 1.00 0.00 H new ATOM 0 HA ALA A 44 5.220 -10.001 -15.210 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.207 -10.660 -13.904 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.486 -11.893 -13.798 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.208 -10.780 -12.437 1.00 0.00 H new ATOM 652 N LEU A 45 4.798 -8.173 -12.469 1.00 0.00 N ATOM 653 CA LEU A 45 4.418 -6.844 -11.992 1.00 0.00 C ATOM 654 C LEU A 45 5.504 -5.803 -12.285 1.00 0.00 C ATOM 655 O LEU A 45 5.304 -4.609 -12.060 1.00 0.00 O ATOM 656 CB LEU A 45 4.151 -6.877 -10.485 1.00 0.00 C ATOM 657 CG LEU A 45 5.363 -7.470 -9.739 1.00 0.00 C ATOM 658 CD1 LEU A 45 6.050 -6.385 -8.898 1.00 0.00 C ATOM 659 CD2 LEU A 45 4.889 -8.603 -8.816 1.00 0.00 C ATOM 0 H LEU A 45 5.067 -8.828 -11.735 1.00 0.00 H new ATOM 0 HA LEU A 45 3.512 -6.557 -12.525 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.950 -5.869 -10.122 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.262 -7.473 -10.279 1.00 0.00 H new ATOM 0 HG LEU A 45 6.073 -7.859 -10.469 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.904 -6.816 -8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.391 -5.581 -9.550 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.343 -5.987 -8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.744 -9.024 -8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.174 -8.209 -8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.412 -9.381 -9.411 1.00 0.00 H new ATOM 671 N MET A 46 6.655 -6.256 -12.789 1.00 0.00 N ATOM 672 CA MET A 46 7.754 -5.340 -13.104 1.00 0.00 C ATOM 673 C MET A 46 7.304 -4.285 -14.113 1.00 0.00 C ATOM 674 O MET A 46 7.440 -3.083 -13.879 1.00 0.00 O ATOM 675 CB MET A 46 8.945 -6.113 -13.688 1.00 0.00 C ATOM 676 CG MET A 46 10.253 -5.565 -13.111 1.00 0.00 C ATOM 677 SD MET A 46 11.595 -6.734 -13.441 1.00 0.00 S ATOM 678 CE MET A 46 12.477 -6.514 -11.877 1.00 0.00 C ATOM 0 H MET A 46 6.849 -7.238 -12.986 1.00 0.00 H new ATOM 0 HA MET A 46 8.055 -4.849 -12.179 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.851 -7.174 -13.456 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.951 -6.024 -14.774 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.482 -4.597 -13.556 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.151 -5.406 -12.038 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.359 -7.154 -11.863 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.783 -5.473 -11.775 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.821 -6.782 -11.049 1.00 0.00 H new ATOM 688 N GLU A 47 6.768 -4.750 -15.238 1.00 0.00 N ATOM 689 CA GLU A 47 6.300 -3.843 -16.282 1.00 0.00 C ATOM 690 C GLU A 47 5.095 -3.034 -15.802 1.00 0.00 C ATOM 691 O GLU A 47 4.857 -1.920 -16.266 1.00 0.00 O ATOM 692 CB GLU A 47 5.904 -4.629 -17.534 1.00 0.00 C ATOM 693 CG GLU A 47 7.150 -4.911 -18.376 1.00 0.00 C ATOM 694 CD GLU A 47 7.775 -6.232 -17.935 1.00 0.00 C ATOM 695 OE1 GLU A 47 8.483 -6.226 -16.942 1.00 0.00 O ATOM 696 OE2 GLU A 47 7.535 -7.227 -18.598 1.00 0.00 O ATOM 0 H GLU A 47 6.647 -5.741 -15.449 1.00 0.00 H new ATOM 0 HA GLU A 47 7.117 -3.162 -16.519 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.424 -5.566 -17.251 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.179 -4.062 -18.118 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.885 -4.957 -19.432 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.870 -4.100 -18.262 1.00 0.00 H new ATOM 703 N THR A 48 4.336 -3.608 -14.868 1.00 0.00 N ATOM 704 CA THR A 48 3.155 -2.931 -14.333 1.00 0.00 C ATOM 705 C THR A 48 3.535 -1.588 -13.712 1.00 0.00 C ATOM 706 O THR A 48 2.891 -0.569 -13.961 1.00 0.00 O ATOM 707 CB THR A 48 2.482 -3.799 -13.266 1.00 0.00 C ATOM 708 OG1 THR A 48 2.301 -5.112 -13.773 1.00 0.00 O ATOM 709 CG2 THR A 48 1.124 -3.198 -12.899 1.00 0.00 C ATOM 0 H THR A 48 4.515 -4.530 -14.470 1.00 0.00 H new ATOM 0 HA THR A 48 2.464 -2.762 -15.159 1.00 0.00 H new ATOM 0 HB THR A 48 3.111 -3.837 -12.377 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.721 -5.619 -13.168 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.646 -3.816 -12.140 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.266 -2.190 -12.510 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.492 -3.159 -13.786 1.00 0.00 H new ATOM 717 N ALA A 49 4.589 -1.602 -12.901 1.00 0.00 N ATOM 718 CA ALA A 49 5.049 -0.380 -12.247 1.00 0.00 C ATOM 719 C ALA A 49 5.814 0.503 -13.231 1.00 0.00 C ATOM 720 O ALA A 49 5.808 1.729 -13.119 1.00 0.00 O ATOM 721 CB ALA A 49 5.964 -0.717 -11.068 1.00 0.00 C ATOM 0 H ALA A 49 5.135 -2.435 -12.682 1.00 0.00 H new ATOM 0 HA ALA A 49 4.171 0.156 -11.887 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.298 0.205 -10.592 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.417 -1.322 -10.345 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.829 -1.274 -11.427 1.00 0.00 H new ATOM 727 N ALA A 50 6.473 -0.134 -14.195 1.00 0.00 N ATOM 728 CA ALA A 50 7.242 0.603 -15.196 1.00 0.00 C ATOM 729 C ALA A 50 6.335 1.540 -15.989 1.00 0.00 C ATOM 730 O ALA A 50 6.759 2.606 -16.436 1.00 0.00 O ATOM 731 CB ALA A 50 7.925 -0.365 -16.164 1.00 0.00 C ATOM 0 H ALA A 50 6.491 -1.148 -14.305 1.00 0.00 H new ATOM 0 HA ALA A 50 7.997 1.189 -14.672 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.493 0.200 -16.903 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.599 -1.019 -15.610 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.170 -0.967 -16.670 1.00 0.00 H new ATOM 737 N ARG A 51 5.081 1.130 -16.158 1.00 0.00 N ATOM 738 CA ARG A 51 4.119 1.941 -16.900 1.00 0.00 C ATOM 739 C ARG A 51 3.460 2.962 -15.980 1.00 0.00 C ATOM 740 O ARG A 51 3.267 4.120 -16.351 1.00 0.00 O ATOM 741 CB ARG A 51 3.036 1.054 -17.519 1.00 0.00 C ATOM 742 CG ARG A 51 2.529 1.694 -18.813 1.00 0.00 C ATOM 743 CD ARG A 51 3.507 1.395 -19.951 1.00 0.00 C ATOM 744 NE ARG A 51 4.497 2.460 -20.072 1.00 0.00 N ATOM 745 CZ ARG A 51 5.577 2.307 -20.834 1.00 0.00 C ATOM 746 NH1 ARG A 51 5.456 2.240 -22.132 1.00 0.00 N ATOM 747 NH2 ARG A 51 6.758 2.225 -20.284 1.00 0.00 N ATOM 0 H ARG A 51 4.710 0.252 -15.796 1.00 0.00 H new ATOM 0 HA ARG A 51 4.658 2.461 -17.692 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.438 0.062 -17.725 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.212 0.925 -16.817 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.540 1.307 -19.059 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.426 2.771 -18.682 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.008 0.445 -19.766 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.961 1.291 -20.889 1.00 0.00 H new ATOM 0 HE ARG A 51 4.359 3.334 -19.565 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.533 2.305 -22.562 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.284 2.123 -22.716 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.853 2.278 -19.270 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.586 2.108 -20.868 1.00 0.00 H new ATOM 761 N LEU A 52 3.114 2.520 -14.773 1.00 0.00 N ATOM 762 CA LEU A 52 2.472 3.405 -13.802 1.00 0.00 C ATOM 763 C LEU A 52 3.505 4.108 -12.913 1.00 0.00 C ATOM 764 O LEU A 52 3.157 4.662 -11.869 1.00 0.00 O ATOM 765 CB LEU A 52 1.512 2.609 -12.909 1.00 0.00 C ATOM 766 CG LEU A 52 0.180 2.356 -13.635 1.00 0.00 C ATOM 767 CD1 LEU A 52 -0.497 3.689 -13.964 1.00 0.00 C ATOM 768 CD2 LEU A 52 0.433 1.577 -14.932 1.00 0.00 C ATOM 0 H LEU A 52 3.265 1.566 -14.446 1.00 0.00 H new ATOM 0 HA LEU A 52 1.921 4.158 -14.365 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.968 1.658 -12.633 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.330 3.156 -11.984 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.471 1.773 -12.984 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.440 3.501 -14.478 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.690 4.237 -13.041 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.156 4.280 -14.607 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.514 1.401 -15.441 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.092 2.154 -15.581 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.902 0.621 -14.697 1.00 0.00 H new ATOM 780 N GLU A 53 4.774 4.089 -13.327 1.00 0.00 N ATOM 781 CA GLU A 53 5.823 4.734 -12.544 1.00 0.00 C ATOM 782 C GLU A 53 5.684 6.253 -12.629 1.00 0.00 C ATOM 783 O GLU A 53 5.793 6.959 -11.626 1.00 0.00 O ATOM 784 CB GLU A 53 7.211 4.319 -13.061 1.00 0.00 C ATOM 785 CG GLU A 53 7.882 3.377 -12.055 1.00 0.00 C ATOM 786 CD GLU A 53 8.650 4.197 -11.025 1.00 0.00 C ATOM 787 OE1 GLU A 53 9.693 4.726 -11.375 1.00 0.00 O ATOM 788 OE2 GLU A 53 8.186 4.286 -9.900 1.00 0.00 O ATOM 0 H GLU A 53 5.094 3.641 -14.186 1.00 0.00 H new ATOM 0 HA GLU A 53 5.720 4.418 -11.506 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.116 3.825 -14.028 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.831 5.202 -13.214 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.131 2.762 -11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.559 2.697 -12.573 1.00 0.00 H new ATOM 795 N SER A 54 5.442 6.744 -13.840 1.00 0.00 N ATOM 796 CA SER A 54 5.287 8.180 -14.054 1.00 0.00 C ATOM 797 C SER A 54 3.853 8.616 -13.764 1.00 0.00 C ATOM 798 O SER A 54 3.605 9.756 -13.373 1.00 0.00 O ATOM 799 CB SER A 54 5.637 8.547 -15.496 1.00 0.00 C ATOM 800 OG SER A 54 4.814 7.802 -16.384 1.00 0.00 O ATOM 0 H SER A 54 5.349 6.176 -14.682 1.00 0.00 H new ATOM 0 HA SER A 54 5.965 8.694 -13.373 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.491 9.615 -15.657 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.688 8.335 -15.692 1.00 0.00 H new ATOM 0 HG SER A 54 5.035 8.037 -17.309 1.00 0.00 H new ATOM 806 N ARG A 55 2.908 7.696 -13.960 1.00 0.00 N ATOM 807 CA ARG A 55 1.497 7.996 -13.717 1.00 0.00 C ATOM 808 C ARG A 55 1.278 8.436 -12.270 1.00 0.00 C ATOM 809 O ARG A 55 0.379 9.225 -11.976 1.00 0.00 O ATOM 810 CB ARG A 55 0.632 6.766 -13.997 1.00 0.00 C ATOM 811 CG ARG A 55 -0.848 7.163 -13.990 1.00 0.00 C ATOM 812 CD ARG A 55 -1.327 7.388 -15.426 1.00 0.00 C ATOM 813 NE ARG A 55 -0.876 8.684 -15.923 1.00 0.00 N ATOM 814 CZ ARG A 55 -1.590 9.786 -15.706 1.00 0.00 C ATOM 815 NH1 ARG A 55 -2.755 9.931 -16.276 1.00 0.00 N ATOM 816 NH2 ARG A 55 -1.126 10.721 -14.923 1.00 0.00 N ATOM 0 H ARG A 55 3.091 6.746 -14.283 1.00 0.00 H new ATOM 0 HA ARG A 55 1.210 8.806 -14.388 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.898 6.334 -14.962 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.817 6.000 -13.243 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.442 6.382 -13.516 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.989 8.071 -13.403 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.948 6.594 -16.070 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.415 7.337 -15.464 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.001 8.746 -16.444 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.118 9.200 -16.888 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.302 10.775 -16.110 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.216 10.607 -14.477 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.674 11.565 -14.757 1.00 0.00 H new ATOM 830 N TYR A 56 2.107 7.915 -11.369 1.00 0.00 N ATOM 831 CA TYR A 56 1.992 8.260 -9.955 1.00 0.00 C ATOM 832 C TYR A 56 2.942 9.403 -9.605 1.00 0.00 C ATOM 833 O TYR A 56 2.520 10.448 -9.111 1.00 0.00 O ATOM 834 CB TYR A 56 2.316 7.050 -9.079 1.00 0.00 C ATOM 835 CG TYR A 56 1.117 6.133 -9.031 1.00 0.00 C ATOM 836 CD1 TYR A 56 0.708 5.457 -10.187 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.414 5.958 -7.831 1.00 0.00 C ATOM 838 CE1 TYR A 56 -0.404 4.608 -10.144 1.00 0.00 C ATOM 839 CE2 TYR A 56 -0.697 5.109 -7.789 1.00 0.00 C ATOM 840 CZ TYR A 56 -1.106 4.432 -8.945 1.00 0.00 C ATOM 841 OH TYR A 56 -2.202 3.596 -8.904 1.00 0.00 O ATOM 0 H TYR A 56 2.857 7.260 -11.589 1.00 0.00 H new ATOM 0 HA TYR A 56 0.965 8.574 -9.768 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.179 6.518 -9.479 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.580 7.375 -8.073 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.250 5.591 -11.111 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.730 6.479 -6.939 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.721 4.088 -11.036 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.240 4.975 -6.865 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.572 3.586 -7.997 1.00 0.00 H new ATOM 851 N GLY A 57 4.230 9.193 -9.867 1.00 0.00 N ATOM 852 CA GLY A 57 5.229 10.219 -9.575 1.00 0.00 C ATOM 853 C GLY A 57 6.242 9.741 -8.531 1.00 0.00 C ATOM 854 O GLY A 57 7.314 10.328 -8.383 1.00 0.00 O ATOM 0 H GLY A 57 4.603 8.336 -10.275 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.752 10.490 -10.492 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.732 11.119 -9.214 1.00 0.00 H new ATOM 858 N VAL A 58 5.897 8.677 -7.803 1.00 0.00 N ATOM 859 CA VAL A 58 6.788 8.146 -6.778 1.00 0.00 C ATOM 860 C VAL A 58 8.123 7.719 -7.391 1.00 0.00 C ATOM 861 O VAL A 58 8.227 7.485 -8.596 1.00 0.00 O ATOM 862 CB VAL A 58 6.120 6.951 -6.079 1.00 0.00 C ATOM 863 CG1 VAL A 58 5.829 5.841 -7.095 1.00 0.00 C ATOM 864 CG2 VAL A 58 7.034 6.408 -4.979 1.00 0.00 C ATOM 0 H VAL A 58 5.016 8.173 -7.905 1.00 0.00 H new ATOM 0 HA VAL A 58 6.983 8.928 -6.045 1.00 0.00 H new ATOM 0 HB VAL A 58 5.183 7.287 -5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.356 4.999 -6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.161 6.221 -7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.762 5.512 -7.551 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.552 5.562 -4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.978 6.084 -5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.225 7.191 -4.245 1.00 0.00 H new ATOM 874 N SER A 59 9.139 7.619 -6.541 1.00 0.00 N ATOM 875 CA SER A 59 10.469 7.218 -6.993 1.00 0.00 C ATOM 876 C SER A 59 11.040 6.143 -6.074 1.00 0.00 C ATOM 877 O SER A 59 11.326 6.394 -4.903 1.00 0.00 O ATOM 878 CB SER A 59 11.416 8.419 -7.003 1.00 0.00 C ATOM 879 OG SER A 59 11.606 8.877 -5.671 1.00 0.00 O ATOM 0 H SER A 59 9.070 7.808 -5.541 1.00 0.00 H new ATOM 0 HA SER A 59 10.376 6.822 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.373 8.139 -7.444 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.003 9.218 -7.619 1.00 0.00 H new ATOM 0 HG SER A 59 11.307 8.187 -5.042 1.00 0.00 H new ATOM 885 N ILE A 60 11.199 4.940 -6.618 1.00 0.00 N ATOM 886 CA ILE A 60 11.734 3.827 -5.837 1.00 0.00 C ATOM 887 C ILE A 60 12.736 3.021 -6.671 1.00 0.00 C ATOM 888 O ILE A 60 12.718 3.087 -7.900 1.00 0.00 O ATOM 889 CB ILE A 60 10.605 2.901 -5.384 1.00 0.00 C ATOM 890 CG1 ILE A 60 9.772 2.479 -6.598 1.00 0.00 C ATOM 891 CG2 ILE A 60 9.710 3.636 -4.385 1.00 0.00 C ATOM 892 CD1 ILE A 60 9.273 1.046 -6.400 1.00 0.00 C ATOM 0 H ILE A 60 10.968 4.711 -7.585 1.00 0.00 H new ATOM 0 HA ILE A 60 12.238 4.240 -4.963 1.00 0.00 H new ATOM 0 HB ILE A 60 11.031 2.017 -4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.927 3.155 -6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 60 10.373 2.544 -7.505 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.905 2.975 -4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.301 3.937 -3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.285 4.520 -4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.680 0.745 -7.263 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.126 0.375 -6.293 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.657 0.996 -5.502 1.00 0.00 H new ATOM 904 N PRO A 61 13.624 2.249 -6.020 1.00 0.00 N ATOM 905 CA PRO A 61 14.623 1.438 -6.739 1.00 0.00 C ATOM 906 C PRO A 61 14.044 0.136 -7.288 1.00 0.00 C ATOM 907 O PRO A 61 12.828 -0.042 -7.350 1.00 0.00 O ATOM 908 CB PRO A 61 15.660 1.161 -5.658 1.00 0.00 C ATOM 909 CG PRO A 61 14.951 1.290 -4.315 1.00 0.00 C ATOM 910 CD PRO A 61 13.691 2.130 -4.544 1.00 0.00 C ATOM 0 HA PRO A 61 15.018 1.946 -7.619 1.00 0.00 H new ATOM 0 HB2 PRO A 61 16.083 0.163 -5.776 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.487 1.868 -5.727 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.691 0.307 -3.922 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.602 1.765 -3.581 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.804 1.643 -4.139 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.766 3.106 -4.065 1.00 0.00 H new ATOM 918 N ASP A 62 14.932 -0.767 -7.692 1.00 0.00 N ATOM 919 CA ASP A 62 14.507 -2.053 -8.246 1.00 0.00 C ATOM 920 C ASP A 62 14.598 -3.178 -7.206 1.00 0.00 C ATOM 921 O ASP A 62 14.180 -4.304 -7.469 1.00 0.00 O ATOM 922 CB ASP A 62 15.384 -2.418 -9.449 1.00 0.00 C ATOM 923 CG ASP A 62 14.651 -2.085 -10.746 1.00 0.00 C ATOM 924 OD1 ASP A 62 13.456 -2.320 -10.804 1.00 0.00 O ATOM 925 OD2 ASP A 62 15.296 -1.599 -11.660 1.00 0.00 O ATOM 0 H ASP A 62 15.943 -0.636 -7.648 1.00 0.00 H new ATOM 0 HA ASP A 62 13.466 -1.949 -8.552 1.00 0.00 H new ATOM 0 HB2 ASP A 62 16.326 -1.871 -9.403 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.630 -3.480 -9.422 1.00 0.00 H new ATOM 930 N ASP A 63 15.157 -2.880 -6.034 1.00 0.00 N ATOM 931 CA ASP A 63 15.293 -3.897 -4.994 1.00 0.00 C ATOM 932 C ASP A 63 14.001 -4.039 -4.192 1.00 0.00 C ATOM 933 O ASP A 63 13.558 -5.150 -3.898 1.00 0.00 O ATOM 934 CB ASP A 63 16.432 -3.535 -4.038 1.00 0.00 C ATOM 935 CG ASP A 63 16.781 -4.747 -3.182 1.00 0.00 C ATOM 936 OD1 ASP A 63 15.866 -5.368 -2.667 1.00 0.00 O ATOM 937 OD2 ASP A 63 17.960 -5.036 -3.052 1.00 0.00 O ATOM 0 H ASP A 63 15.517 -1.959 -5.784 1.00 0.00 H new ATOM 0 HA ASP A 63 15.513 -4.844 -5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 63 17.306 -3.211 -4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.136 -2.700 -3.402 1.00 0.00 H new ATOM 942 N VAL A 64 13.407 -2.905 -3.830 1.00 0.00 N ATOM 943 CA VAL A 64 12.171 -2.924 -3.048 1.00 0.00 C ATOM 944 C VAL A 64 11.005 -3.463 -3.881 1.00 0.00 C ATOM 945 O VAL A 64 10.213 -4.279 -3.410 1.00 0.00 O ATOM 946 CB VAL A 64 11.842 -1.513 -2.532 1.00 0.00 C ATOM 947 CG1 VAL A 64 11.557 -0.565 -3.702 1.00 0.00 C ATOM 948 CG2 VAL A 64 10.616 -1.573 -1.615 1.00 0.00 C ATOM 0 H VAL A 64 13.754 -1.974 -4.061 1.00 0.00 H new ATOM 0 HA VAL A 64 12.321 -3.587 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 64 12.701 -1.137 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.326 0.428 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.434 -0.510 -4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.708 -0.939 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.385 -0.572 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.764 -1.962 -2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.826 -2.228 -0.769 1.00 0.00 H new ATOM 958 N ALA A 65 10.907 -2.993 -5.121 1.00 0.00 N ATOM 959 CA ALA A 65 9.831 -3.431 -6.007 1.00 0.00 C ATOM 960 C ALA A 65 10.180 -4.768 -6.653 1.00 0.00 C ATOM 961 O ALA A 65 9.380 -5.703 -6.654 1.00 0.00 O ATOM 962 CB ALA A 65 9.587 -2.396 -7.106 1.00 0.00 C ATOM 0 H ALA A 65 11.551 -2.317 -5.532 1.00 0.00 H new ATOM 0 HA ALA A 65 8.928 -3.543 -5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.782 -2.739 -7.756 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.308 -1.444 -6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.497 -2.266 -7.692 1.00 0.00 H new ATOM 968 N GLY A 66 11.387 -4.844 -7.205 1.00 0.00 N ATOM 969 CA GLY A 66 11.841 -6.070 -7.858 1.00 0.00 C ATOM 970 C GLY A 66 11.829 -7.255 -6.892 1.00 0.00 C ATOM 971 O GLY A 66 11.764 -8.410 -7.311 1.00 0.00 O ATOM 0 H GLY A 66 12.063 -4.080 -7.214 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.199 -6.288 -8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.849 -5.925 -8.246 1.00 0.00 H new ATOM 975 N ARG A 67 11.902 -6.961 -5.594 1.00 0.00 N ATOM 976 CA ARG A 67 11.906 -8.020 -4.588 1.00 0.00 C ATOM 977 C ARG A 67 10.677 -7.915 -3.684 1.00 0.00 C ATOM 978 O ARG A 67 10.777 -7.998 -2.458 1.00 0.00 O ATOM 979 CB ARG A 67 13.173 -7.931 -3.733 1.00 0.00 C ATOM 980 CG ARG A 67 13.518 -9.316 -3.183 1.00 0.00 C ATOM 981 CD ARG A 67 14.218 -10.137 -4.266 1.00 0.00 C ATOM 982 NE ARG A 67 14.691 -11.409 -3.724 1.00 0.00 N ATOM 983 CZ ARG A 67 15.782 -11.467 -2.963 1.00 0.00 C ATOM 984 NH1 ARG A 67 15.693 -11.255 -1.680 1.00 0.00 N ATOM 985 NH2 ARG A 67 16.939 -11.736 -3.502 1.00 0.00 N ATOM 0 H ARG A 67 11.958 -6.014 -5.220 1.00 0.00 H new ATOM 0 HA ARG A 67 11.882 -8.978 -5.107 1.00 0.00 H new ATOM 0 HB2 ARG A 67 14.001 -7.549 -4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.022 -7.230 -2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.163 -9.221 -2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.611 -9.825 -2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.530 -10.321 -5.092 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.059 -9.573 -4.671 1.00 0.00 H new ATOM 0 HE ARG A 67 14.178 -12.265 -3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.788 -11.045 -1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.529 -11.299 -1.097 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.008 -11.902 -4.506 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.775 -11.781 -2.919 1.00 0.00 H new ATOM 999 N VAL A 68 9.510 -7.735 -4.299 1.00 0.00 N ATOM 1000 CA VAL A 68 8.272 -7.628 -3.530 1.00 0.00 C ATOM 1001 C VAL A 68 7.548 -8.976 -3.497 1.00 0.00 C ATOM 1002 O VAL A 68 7.068 -9.468 -4.518 1.00 0.00 O ATOM 1003 CB VAL A 68 7.349 -6.543 -4.119 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.869 -6.935 -5.523 1.00 0.00 C ATOM 1005 CG2 VAL A 68 6.133 -6.358 -3.208 1.00 0.00 C ATOM 0 H VAL A 68 9.395 -7.661 -5.310 1.00 0.00 H new ATOM 0 HA VAL A 68 8.530 -7.341 -2.511 1.00 0.00 H new ATOM 0 HB VAL A 68 7.913 -5.613 -4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.219 -6.153 -5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.730 -7.057 -6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.317 -7.873 -5.470 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.480 -5.591 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.587 -7.299 -3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.465 -6.053 -2.216 1.00 0.00 H new ATOM 1015 N ASP A 69 7.480 -9.567 -2.308 1.00 0.00 N ATOM 1016 CA ASP A 69 6.813 -10.857 -2.151 1.00 0.00 C ATOM 1017 C ASP A 69 5.474 -10.702 -1.425 1.00 0.00 C ATOM 1018 O ASP A 69 4.909 -11.679 -0.934 1.00 0.00 O ATOM 1019 CB ASP A 69 7.697 -11.820 -1.356 1.00 0.00 C ATOM 1020 CG ASP A 69 8.816 -12.340 -2.252 1.00 0.00 C ATOM 1021 OD1 ASP A 69 9.794 -11.629 -2.421 1.00 0.00 O ATOM 1022 OD2 ASP A 69 8.679 -13.443 -2.756 1.00 0.00 O ATOM 0 H ASP A 69 7.872 -9.181 -1.449 1.00 0.00 H new ATOM 0 HA ASP A 69 6.633 -11.257 -3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.118 -11.312 -0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.101 -12.652 -0.980 1.00 0.00 H new ATOM 1027 N THR A 70 4.966 -9.469 -1.361 1.00 0.00 N ATOM 1028 CA THR A 70 3.693 -9.219 -0.695 1.00 0.00 C ATOM 1029 C THR A 70 2.875 -8.187 -1.481 1.00 0.00 C ATOM 1030 O THR A 70 3.442 -7.277 -2.086 1.00 0.00 O ATOM 1031 CB THR A 70 3.925 -8.697 0.726 1.00 0.00 C ATOM 1032 OG1 THR A 70 5.173 -8.018 0.781 1.00 0.00 O ATOM 1033 CG2 THR A 70 3.938 -9.870 1.708 1.00 0.00 C ATOM 0 H THR A 70 5.412 -8.641 -1.757 1.00 0.00 H new ATOM 0 HA THR A 70 3.145 -10.160 -0.649 1.00 0.00 H new ATOM 0 HB THR A 70 3.123 -8.010 0.996 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.398 -7.822 1.714 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.103 -9.497 2.719 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.981 -10.391 1.665 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.739 -10.560 1.441 1.00 0.00 H new ATOM 1041 N PRO A 71 1.535 -8.305 -1.483 1.00 0.00 N ATOM 1042 CA PRO A 71 0.672 -7.355 -2.210 1.00 0.00 C ATOM 1043 C PRO A 71 0.424 -6.071 -1.419 1.00 0.00 C ATOM 1044 O PRO A 71 0.566 -4.965 -1.939 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.617 -8.147 -2.371 1.00 0.00 C ATOM 1046 CG PRO A 71 -0.640 -9.195 -1.263 1.00 0.00 C ATOM 1047 CD PRO A 71 0.798 -9.378 -0.775 1.00 0.00 C ATOM 0 HA PRO A 71 1.112 -7.018 -3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.484 -7.491 -2.299 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.658 -8.622 -3.351 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.285 -8.874 -0.445 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.042 -10.138 -1.635 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.873 -9.271 0.307 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.186 -10.366 -1.025 1.00 0.00 H new ATOM 1055 N ARG A 72 0.053 -6.229 -0.152 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.206 -5.073 0.705 1.00 0.00 C ATOM 1057 C ARG A 72 1.042 -4.192 0.827 1.00 0.00 C ATOM 1058 O ARG A 72 0.949 -3.005 1.140 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.626 -5.531 2.103 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.179 -4.339 2.892 1.00 0.00 C ATOM 1061 CD ARG A 72 -2.709 -4.364 2.858 1.00 0.00 C ATOM 1062 NE ARG A 72 -3.214 -5.632 3.378 1.00 0.00 N ATOM 1063 CZ ARG A 72 -2.969 -6.006 4.631 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -3.760 -5.618 5.593 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -1.938 -6.760 4.896 1.00 0.00 N ATOM 0 H ARG A 72 -0.074 -7.134 0.301 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.010 -4.495 0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.382 -6.313 2.028 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.227 -5.962 2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.828 -4.378 3.923 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.811 -3.406 2.465 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.105 -3.539 3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.058 -4.219 1.836 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.763 -6.240 2.771 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.566 -5.028 5.384 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.573 -5.904 6.554 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.320 -7.062 4.143 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.750 -7.047 5.856 1.00 0.00 H new ATOM 1079 N GLU A 73 2.212 -4.784 0.586 1.00 0.00 N ATOM 1080 CA GLU A 73 3.468 -4.042 0.683 1.00 0.00 C ATOM 1081 C GLU A 73 3.492 -2.873 -0.300 1.00 0.00 C ATOM 1082 O GLU A 73 3.570 -1.711 0.101 1.00 0.00 O ATOM 1083 CB GLU A 73 4.656 -4.960 0.392 1.00 0.00 C ATOM 1084 CG GLU A 73 5.956 -4.248 0.770 1.00 0.00 C ATOM 1085 CD GLU A 73 6.449 -3.425 -0.415 1.00 0.00 C ATOM 1086 OE1 GLU A 73 6.651 -4.004 -1.469 1.00 0.00 O ATOM 1087 OE2 GLU A 73 6.619 -2.228 -0.249 1.00 0.00 O ATOM 0 H GLU A 73 2.316 -5.765 0.325 1.00 0.00 H new ATOM 0 HA GLU A 73 3.543 -3.655 1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.559 -5.887 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.671 -5.230 -0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.791 -3.601 1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.712 -4.978 1.059 1.00 0.00 H new ATOM 1094 N LEU A 74 3.442 -3.191 -1.596 1.00 0.00 N ATOM 1095 CA LEU A 74 3.476 -2.154 -2.636 1.00 0.00 C ATOM 1096 C LEU A 74 2.419 -1.075 -2.385 1.00 0.00 C ATOM 1097 O LEU A 74 2.621 0.096 -2.710 1.00 0.00 O ATOM 1098 CB LEU A 74 3.274 -2.761 -4.032 1.00 0.00 C ATOM 1099 CG LEU A 74 1.987 -3.596 -4.082 1.00 0.00 C ATOM 1100 CD1 LEU A 74 1.248 -3.319 -5.395 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.333 -5.088 -4.019 1.00 0.00 C ATOM 0 H LEU A 74 3.379 -4.146 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 74 4.462 -1.691 -2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.226 -1.966 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.129 -3.386 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 74 1.357 -3.327 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.334 -3.912 -5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.996 -2.260 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.887 -3.587 -6.236 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.416 -5.676 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.966 -5.351 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.864 -5.300 -3.091 1.00 0.00 H new ATOM 1113 N LEU A 75 1.299 -1.477 -1.781 1.00 0.00 N ATOM 1114 CA LEU A 75 0.228 -0.527 -1.468 1.00 0.00 C ATOM 1115 C LEU A 75 0.765 0.570 -0.548 1.00 0.00 C ATOM 1116 O LEU A 75 0.681 1.753 -0.862 1.00 0.00 O ATOM 1117 CB LEU A 75 -0.944 -1.251 -0.781 1.00 0.00 C ATOM 1118 CG LEU A 75 -2.046 -0.260 -0.360 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.859 0.172 -1.579 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -2.972 -0.942 0.647 1.00 0.00 C ATOM 0 H LEU A 75 1.110 -2.440 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.129 -0.081 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.361 -1.996 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.580 -1.787 0.096 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.585 0.619 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.635 0.872 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.202 0.655 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.321 -0.703 -2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.755 -0.247 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.425 -1.821 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.397 -1.245 1.522 1.00 0.00 H new ATOM 1132 N ASP A 76 1.309 0.156 0.591 1.00 0.00 N ATOM 1133 CA ASP A 76 1.856 1.110 1.555 1.00 0.00 C ATOM 1134 C ASP A 76 2.979 1.940 0.929 1.00 0.00 C ATOM 1135 O ASP A 76 3.241 3.067 1.351 1.00 0.00 O ATOM 1136 CB ASP A 76 2.405 0.376 2.780 1.00 0.00 C ATOM 1137 CG ASP A 76 2.308 1.283 4.001 1.00 0.00 C ATOM 1138 OD1 ASP A 76 1.279 1.255 4.655 1.00 0.00 O ATOM 1139 OD2 ASP A 76 3.264 1.993 4.264 1.00 0.00 O ATOM 0 H ASP A 76 1.384 -0.822 0.870 1.00 0.00 H new ATOM 0 HA ASP A 76 1.046 1.774 1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.842 -0.542 2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.442 0.087 2.610 1.00 0.00 H new ATOM 1144 N LEU A 77 3.643 1.372 -0.076 1.00 0.00 N ATOM 1145 CA LEU A 77 4.741 2.071 -0.745 1.00 0.00 C ATOM 1146 C LEU A 77 4.246 3.365 -1.388 1.00 0.00 C ATOM 1147 O LEU A 77 4.649 4.461 -1.002 1.00 0.00 O ATOM 1148 CB LEU A 77 5.357 1.184 -1.830 1.00 0.00 C ATOM 1149 CG LEU A 77 6.645 1.834 -2.367 1.00 0.00 C ATOM 1150 CD1 LEU A 77 7.855 0.972 -1.996 1.00 0.00 C ATOM 1151 CD2 LEU A 77 6.566 1.957 -3.893 1.00 0.00 C ATOM 0 H LEU A 77 3.444 0.441 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 77 5.493 2.306 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.579 0.197 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.645 1.041 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 77 6.752 2.824 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.764 1.437 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.921 0.885 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.743 -0.020 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.480 2.418 -4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.452 0.966 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.710 2.575 -4.164 1.00 0.00 H new ATOM 1163 N ILE A 78 3.369 3.221 -2.380 1.00 0.00 N ATOM 1164 CA ILE A 78 2.818 4.383 -3.085 1.00 0.00 C ATOM 1165 C ILE A 78 2.115 5.322 -2.102 1.00 0.00 C ATOM 1166 O ILE A 78 2.128 6.542 -2.262 1.00 0.00 O ATOM 1167 CB ILE A 78 1.812 3.920 -4.150 1.00 0.00 C ATOM 1168 CG1 ILE A 78 2.500 2.964 -5.140 1.00 0.00 C ATOM 1169 CG2 ILE A 78 1.257 5.130 -4.907 1.00 0.00 C ATOM 1170 CD1 ILE A 78 3.673 3.668 -5.834 1.00 0.00 C ATOM 0 H ILE A 78 3.025 2.320 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 78 3.639 4.917 -3.563 1.00 0.00 H new ATOM 0 HB ILE A 78 0.992 3.398 -3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.858 2.080 -4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.781 2.621 -5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.545 4.793 -5.660 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.756 5.798 -4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.075 5.661 -5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.150 2.979 -6.531 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.305 4.538 -6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.399 3.988 -5.087 1.00 0.00 H new ATOM 1182 N ASN A 79 1.500 4.724 -1.090 1.00 0.00 N ATOM 1183 CA ASN A 79 0.772 5.475 -0.064 1.00 0.00 C ATOM 1184 C ASN A 79 1.637 6.595 0.520 1.00 0.00 C ATOM 1185 O ASN A 79 1.249 7.763 0.520 1.00 0.00 O ATOM 1186 CB ASN A 79 0.350 4.528 1.066 1.00 0.00 C ATOM 1187 CG ASN A 79 -1.061 4.867 1.535 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -1.355 6.017 1.860 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -1.960 3.922 1.586 1.00 0.00 N ATOM 0 H ASN A 79 1.489 3.713 -0.953 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.107 5.920 -0.531 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.388 3.495 0.719 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.048 4.610 1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.908 4.136 1.896 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.715 2.969 1.316 1.00 0.00 H new ATOM 1196 N GLY A 80 2.811 6.219 1.017 1.00 0.00 N ATOM 1197 CA GLY A 80 3.726 7.193 1.604 1.00 0.00 C ATOM 1198 C GLY A 80 4.292 8.125 0.538 1.00 0.00 C ATOM 1199 O GLY A 80 4.614 9.281 0.813 1.00 0.00 O ATOM 0 H GLY A 80 3.149 5.257 1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.204 7.777 2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.541 6.674 2.108 1.00 0.00 H new ATOM 1203 N ALA A 81 4.415 7.610 -0.682 1.00 0.00 N ATOM 1204 CA ALA A 81 4.949 8.406 -1.786 1.00 0.00 C ATOM 1205 C ALA A 81 4.061 9.617 -2.060 1.00 0.00 C ATOM 1206 O ALA A 81 4.535 10.665 -2.498 1.00 0.00 O ATOM 1207 CB ALA A 81 5.042 7.561 -3.058 1.00 0.00 C ATOM 0 H ALA A 81 4.156 6.656 -0.931 1.00 0.00 H new ATOM 0 HA ALA A 81 5.944 8.747 -1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.441 8.169 -3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.701 6.711 -2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.050 7.201 -3.329 1.00 0.00 H new ATOM 1213 N LEU A 82 2.765 9.463 -1.799 1.00 0.00 N ATOM 1214 CA LEU A 82 1.820 10.553 -2.024 1.00 0.00 C ATOM 1215 C LEU A 82 1.910 11.583 -0.903 1.00 0.00 C ATOM 1216 O LEU A 82 1.663 12.771 -1.111 1.00 0.00 O ATOM 1217 CB LEU A 82 0.388 10.015 -2.093 1.00 0.00 C ATOM 1218 CG LEU A 82 0.273 9.011 -3.242 1.00 0.00 C ATOM 1219 CD1 LEU A 82 -1.014 8.198 -3.084 1.00 0.00 C ATOM 1220 CD2 LEU A 82 0.238 9.762 -4.574 1.00 0.00 C ATOM 0 H LEU A 82 2.349 8.605 -1.436 1.00 0.00 H new ATOM 0 HA LEU A 82 2.077 11.027 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.122 9.536 -1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.313 10.836 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 82 1.132 8.340 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.096 7.483 -3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.992 7.662 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.873 8.869 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.156 9.047 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.621 10.433 -4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.154 10.342 -4.689 1.00 0.00 H new ATOM 1232 N ALA A 83 2.265 11.116 0.292 1.00 0.00 N ATOM 1233 CA ALA A 83 2.383 12.008 1.444 1.00 0.00 C ATOM 1234 C ALA A 83 3.611 12.903 1.308 1.00 0.00 C ATOM 1235 O ALA A 83 3.620 14.042 1.775 1.00 0.00 O ATOM 1236 CB ALA A 83 2.499 11.197 2.736 1.00 0.00 C ATOM 0 H ALA A 83 2.474 10.137 0.487 1.00 0.00 H new ATOM 0 HA ALA A 83 1.487 12.628 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.586 11.875 3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.611 10.576 2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.383 10.561 2.688 1.00 0.00 H new ATOM 1242 N GLU A 84 4.649 12.374 0.665 1.00 0.00 N ATOM 1243 CA GLU A 84 5.882 13.136 0.475 1.00 0.00 C ATOM 1244 C GLU A 84 5.738 14.117 -0.687 1.00 0.00 C ATOM 1245 O GLU A 84 6.365 15.177 -0.703 1.00 0.00 O ATOM 1246 CB GLU A 84 7.060 12.195 0.195 1.00 0.00 C ATOM 1247 CG GLU A 84 6.751 11.319 -1.020 1.00 0.00 C ATOM 1248 CD GLU A 84 8.027 10.627 -1.486 1.00 0.00 C ATOM 1249 OE1 GLU A 84 8.825 11.277 -2.140 1.00 0.00 O ATOM 1250 OE2 GLU A 84 8.187 9.456 -1.182 1.00 0.00 O ATOM 0 H GLU A 84 4.663 11.433 0.271 1.00 0.00 H new ATOM 0 HA GLU A 84 6.073 13.692 1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.965 12.775 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.251 11.569 1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.995 10.577 -0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.340 11.928 -1.825 1.00 0.00 H new ATOM 1257 N ALA A 85 4.905 13.754 -1.660 1.00 0.00 N ATOM 1258 CA ALA A 85 4.688 14.614 -2.821 1.00 0.00 C ATOM 1259 C ALA A 85 3.986 15.902 -2.406 1.00 0.00 C ATOM 1260 O ALA A 85 4.263 16.977 -2.941 1.00 0.00 O ATOM 1261 CB ALA A 85 3.832 13.895 -3.865 1.00 0.00 C ATOM 0 H ALA A 85 4.376 12.882 -1.669 1.00 0.00 H new ATOM 0 HA ALA A 85 5.661 14.853 -3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.680 14.549 -4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.339 12.985 -4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.867 13.637 -3.429 1.00 0.00 H new ATOM 1267 N ALA A 86 3.076 15.784 -1.444 1.00 0.00 N ATOM 1268 CA ALA A 86 2.337 16.946 -0.959 1.00 0.00 C ATOM 1269 C ALA A 86 3.039 17.555 0.251 1.00 0.00 C ATOM 1270 O ALA A 86 2.986 18.766 0.394 1.00 0.00 O ATOM 1271 CB ALA A 86 0.914 16.549 -0.562 1.00 0.00 C ATOM 1272 OXT ALA A 86 3.619 16.802 1.017 1.00 0.00 O ATOM 0 H ALA A 86 2.834 14.904 -0.988 1.00 0.00 H new ATOM 0 HA ALA A 86 2.297 17.680 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.378 17.428 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.396 16.137 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.953 15.799 0.228 1.00 0.00 H new TER 1278 ALA A 86