USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 hydrogens (31 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 160:sc= -0.122 (180deg=-0.691) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -5:sc= 1.2 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0505 USER MOD Single : A 17 SER OG : rot 108:sc= 1.01 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -160:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0114 USER MOD Single : A 40 TYR OH : rot -146:sc= -1.5! USER MOD Single : A 46 MET CE :methyl 157:sc= -0.243 (180deg=-0.919) USER MOD Single : A 48 THR OG1 : rot 88:sc= 0.222 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -134:sc= 0.012 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -77:sc= 1.12 USER MOD Single : A 79 ASN : amide:sc= 0.714 K(o=0.71,f=-6.9!) USER MOD Single : A 87 SXH O33 : rot -114:sc= 0.229 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.879 -15.144 0.169 1.00 5.89 N ATOM 2 CA MET A 1 17.789 -14.503 -0.782 1.00 5.39 C ATOM 3 C MET A 1 17.602 -12.987 -0.751 1.00 4.66 C ATOM 4 O MET A 1 18.548 -12.233 -0.482 1.00 4.91 O ATOM 5 CB MET A 1 17.534 -15.037 -2.206 1.00 5.72 C ATOM 6 CG MET A 1 18.435 -14.445 -3.284 1.00 6.12 C ATOM 7 SD MET A 1 20.174 -14.857 -3.056 1.00 6.79 S ATOM 8 CE MET A 1 20.121 -16.651 -3.183 1.00 7.46 C ATOM 0 H1 MET A 1 17.015 -16.175 0.139 1.00 5.89 H new ATOM 0 H2 MET A 1 17.078 -14.796 1.129 1.00 5.89 H new ATOM 0 H3 MET A 1 15.896 -14.917 -0.084 1.00 5.89 H new ATOM 0 HA MET A 1 18.814 -14.738 -0.496 1.00 5.39 H new ATOM 0 HB2 MET A 1 17.661 -16.120 -2.201 1.00 5.72 H new ATOM 0 HB3 MET A 1 16.496 -14.839 -2.472 1.00 5.72 H new ATOM 0 HG2 MET A 1 18.108 -14.804 -4.260 1.00 6.12 H new ATOM 0 HG3 MET A 1 18.322 -13.361 -3.288 1.00 6.12 H new ATOM 0 HE1 MET A 1 21.116 -17.029 -3.418 1.00 7.46 H new ATOM 0 HE2 MET A 1 19.787 -17.073 -2.235 1.00 7.46 H new ATOM 0 HE3 MET A 1 19.428 -16.940 -3.973 1.00 7.46 H new ATOM 20 N ALA A 2 16.394 -12.536 -1.000 1.00 4.17 N ATOM 21 CA ALA A 2 16.099 -11.126 -1.032 1.00 3.77 C ATOM 22 C ALA A 2 14.804 -10.866 -0.318 1.00 2.58 C ATOM 23 O ALA A 2 13.902 -11.711 -0.348 1.00 2.61 O ATOM 24 CB ALA A 2 15.995 -10.647 -2.469 1.00 4.69 C ATOM 0 H ALA A 2 15.591 -13.137 -1.185 1.00 4.17 H new ATOM 0 HA ALA A 2 16.903 -10.583 -0.535 1.00 3.77 H new ATOM 0 HB1 ALA A 2 15.772 -9.580 -2.482 1.00 4.69 H new ATOM 0 HB2 ALA A 2 16.940 -10.826 -2.982 1.00 4.69 H new ATOM 0 HB3 ALA A 2 15.198 -11.190 -2.977 1.00 4.69 H new ATOM 30 N THR A 3 14.716 -9.740 0.342 1.00 2.17 N ATOM 31 CA THR A 3 13.515 -9.348 1.011 1.00 1.65 C ATOM 32 C THR A 3 12.589 -8.746 -0.030 1.00 1.51 C ATOM 33 O THR A 3 12.828 -7.637 -0.534 1.00 2.34 O ATOM 34 CB THR A 3 13.835 -8.291 2.065 1.00 2.61 C ATOM 35 OG1 THR A 3 14.961 -8.719 2.854 1.00 3.14 O ATOM 36 CG2 THR A 3 12.643 -8.061 2.984 1.00 3.14 C ATOM 0 H THR A 3 15.481 -9.071 0.427 1.00 2.17 H new ATOM 0 HA THR A 3 13.052 -10.206 1.499 1.00 1.65 H new ATOM 0 HB THR A 3 14.069 -7.358 1.552 1.00 2.61 H new ATOM 0 HG1 THR A 3 15.165 -8.038 3.529 1.00 3.14 H new ATOM 0 HG21 THR A 3 12.896 -7.304 3.726 1.00 3.14 H new ATOM 0 HG22 THR A 3 11.790 -7.722 2.396 1.00 3.14 H new ATOM 0 HG23 THR A 3 12.388 -8.993 3.489 1.00 3.14 H new ATOM 44 N LEU A 4 11.593 -9.489 -0.393 1.00 1.02 N ATOM 45 CA LEU A 4 10.665 -9.080 -1.397 1.00 0.89 C ATOM 46 C LEU A 4 9.281 -9.174 -0.828 1.00 0.82 C ATOM 47 O LEU A 4 8.962 -10.123 -0.115 1.00 1.00 O ATOM 48 CB LEU A 4 10.806 -9.973 -2.642 1.00 0.93 C ATOM 49 CG LEU A 4 12.184 -9.952 -3.325 1.00 1.05 C ATOM 50 CD1 LEU A 4 12.242 -10.955 -4.460 1.00 1.31 C ATOM 51 CD2 LEU A 4 12.505 -8.556 -3.838 1.00 1.09 C ATOM 0 H LEU A 4 11.399 -10.408 0.005 1.00 1.02 H new ATOM 0 HA LEU A 4 10.865 -8.052 -1.700 1.00 0.89 H new ATOM 0 HB2 LEU A 4 10.578 -11.000 -2.358 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.055 -9.670 -3.371 1.00 0.93 H new ATOM 0 HG LEU A 4 12.932 -10.232 -2.583 1.00 1.05 H new ATOM 0 HD11 LEU A 4 13.227 -10.920 -4.926 1.00 1.31 H new ATOM 0 HD12 LEU A 4 12.060 -11.957 -4.070 1.00 1.31 H new ATOM 0 HD13 LEU A 4 11.481 -10.710 -5.201 1.00 1.31 H new ATOM 0 HD21 LEU A 4 13.484 -8.561 -4.318 1.00 1.09 H new ATOM 0 HD22 LEU A 4 11.748 -8.251 -4.560 1.00 1.09 H new ATOM 0 HD23 LEU A 4 12.514 -7.855 -3.004 1.00 1.09 H new ATOM 63 N LEU A 5 8.484 -8.204 -1.096 1.00 0.69 N ATOM 64 CA LEU A 5 7.143 -8.170 -0.604 1.00 0.62 C ATOM 65 C LEU A 5 6.276 -8.808 -1.674 1.00 0.51 C ATOM 66 O LEU A 5 6.318 -8.379 -2.830 1.00 0.50 O ATOM 67 CB LEU A 5 6.721 -6.704 -0.401 1.00 0.64 C ATOM 68 CG LEU A 5 5.515 -6.463 0.499 1.00 0.71 C ATOM 69 CD1 LEU A 5 5.891 -6.741 1.939 1.00 1.14 C ATOM 70 CD2 LEU A 5 4.988 -5.046 0.347 1.00 1.01 C ATOM 0 H LEU A 5 8.741 -7.400 -1.669 1.00 0.69 H new ATOM 0 HA LEU A 5 7.047 -8.696 0.346 1.00 0.62 H new ATOM 0 HB2 LEU A 5 7.570 -6.159 0.012 1.00 0.64 H new ATOM 0 HB3 LEU A 5 6.509 -6.271 -1.379 1.00 0.64 H new ATOM 0 HG LEU A 5 4.718 -7.143 0.199 1.00 0.71 H new ATOM 0 HD11 LEU A 5 5.027 -6.568 2.581 1.00 1.14 H new ATOM 0 HD12 LEU A 5 6.214 -7.777 2.037 1.00 1.14 H new ATOM 0 HD13 LEU A 5 6.703 -6.078 2.237 1.00 1.14 H new ATOM 0 HD21 LEU A 5 4.128 -4.905 1.002 1.00 1.01 H new ATOM 0 HD22 LEU A 5 5.770 -4.336 0.617 1.00 1.01 H new ATOM 0 HD23 LEU A 5 4.688 -4.878 -0.687 1.00 1.01 H new ATOM 82 N THR A 6 5.530 -9.833 -1.340 1.00 0.53 N ATOM 83 CA THR A 6 4.716 -10.450 -2.345 1.00 0.54 C ATOM 84 C THR A 6 3.260 -10.035 -2.236 1.00 0.47 C ATOM 85 O THR A 6 2.932 -9.141 -1.451 1.00 0.45 O ATOM 86 CB THR A 6 4.889 -11.988 -2.434 1.00 0.74 C ATOM 87 OG1 THR A 6 4.631 -12.627 -1.168 1.00 0.84 O ATOM 88 CG2 THR A 6 6.289 -12.329 -2.897 1.00 1.01 C ATOM 0 H THR A 6 5.472 -10.244 -0.408 1.00 0.53 H new ATOM 0 HA THR A 6 5.087 -10.067 -3.296 1.00 0.54 H new ATOM 0 HB THR A 6 4.162 -12.359 -3.156 1.00 0.74 H new ATOM 0 HG1 THR A 6 4.471 -11.944 -0.484 1.00 0.84 H new ATOM 0 HG21 THR A 6 6.399 -13.412 -2.956 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.463 -11.893 -3.880 1.00 1.01 H new ATOM 0 HG23 THR A 6 7.014 -11.929 -2.189 1.00 1.01 H new ATOM 96 N THR A 7 2.408 -10.673 -3.006 1.00 0.53 N ATOM 97 CA THR A 7 1.003 -10.352 -3.090 1.00 0.55 C ATOM 98 C THR A 7 0.320 -10.378 -1.700 1.00 0.49 C ATOM 99 O THR A 7 -0.265 -9.389 -1.288 1.00 0.47 O ATOM 100 CB THR A 7 0.335 -11.336 -4.051 1.00 0.73 C ATOM 101 OG1 THR A 7 1.213 -11.503 -5.194 1.00 0.83 O ATOM 102 CG2 THR A 7 -1.000 -10.781 -4.536 1.00 0.95 C ATOM 0 H THR A 7 2.682 -11.450 -3.607 1.00 0.53 H new ATOM 0 HA THR A 7 0.893 -9.335 -3.467 1.00 0.55 H new ATOM 0 HB THR A 7 0.158 -12.284 -3.544 1.00 0.73 H new ATOM 0 HG1 THR A 7 0.809 -12.132 -5.828 1.00 0.83 H new ATOM 0 HG21 THR A 7 -1.463 -11.493 -5.219 1.00 0.95 H new ATOM 0 HG22 THR A 7 -1.658 -10.617 -3.682 1.00 0.95 H new ATOM 0 HG23 THR A 7 -0.835 -9.836 -5.054 1.00 0.95 H new ATOM 110 N ASP A 8 0.433 -11.496 -0.981 1.00 0.57 N ATOM 111 CA ASP A 8 -0.223 -11.634 0.336 1.00 0.61 C ATOM 112 C ASP A 8 0.401 -10.712 1.377 1.00 0.54 C ATOM 113 O ASP A 8 -0.279 -10.253 2.306 1.00 0.53 O ATOM 114 CB ASP A 8 -0.268 -13.098 0.840 1.00 0.81 C ATOM 115 CG ASP A 8 1.067 -13.703 1.209 1.00 1.41 C ATOM 116 OD1 ASP A 8 1.866 -14.021 0.301 1.00 1.86 O ATOM 117 OD2 ASP A 8 1.381 -13.784 2.415 1.00 2.14 O ATOM 0 H ASP A 8 0.964 -12.315 -1.277 1.00 0.57 H new ATOM 0 HA ASP A 8 -1.258 -11.324 0.189 1.00 0.61 H new ATOM 0 HB2 ASP A 8 -0.921 -13.143 1.712 1.00 0.81 H new ATOM 0 HB3 ASP A 8 -0.725 -13.716 0.067 1.00 0.81 H new ATOM 122 N ASP A 9 1.677 -10.413 1.200 1.00 0.55 N ATOM 123 CA ASP A 9 2.381 -9.478 2.084 1.00 0.57 C ATOM 124 C ASP A 9 1.828 -8.084 1.878 1.00 0.50 C ATOM 125 O ASP A 9 1.521 -7.365 2.832 1.00 0.57 O ATOM 126 CB ASP A 9 3.883 -9.426 1.795 1.00 0.65 C ATOM 127 CG ASP A 9 4.635 -10.696 2.039 1.00 1.13 C ATOM 128 OD1 ASP A 9 4.808 -11.067 3.222 1.00 1.61 O ATOM 129 OD2 ASP A 9 5.006 -11.387 1.074 1.00 1.61 O ATOM 0 H ASP A 9 2.254 -10.801 0.453 1.00 0.55 H new ATOM 0 HA ASP A 9 2.231 -9.828 3.106 1.00 0.57 H new ATOM 0 HB2 ASP A 9 4.024 -9.136 0.754 1.00 0.65 H new ATOM 0 HB3 ASP A 9 4.325 -8.640 2.407 1.00 0.65 H new ATOM 134 N LEU A 10 1.697 -7.715 0.613 1.00 0.43 N ATOM 135 CA LEU A 10 1.175 -6.423 0.223 1.00 0.43 C ATOM 136 C LEU A 10 -0.280 -6.323 0.640 1.00 0.41 C ATOM 137 O LEU A 10 -0.698 -5.310 1.171 1.00 0.47 O ATOM 138 CB LEU A 10 1.304 -6.238 -1.297 1.00 0.46 C ATOM 139 CG LEU A 10 0.833 -4.896 -1.869 1.00 0.57 C ATOM 140 CD1 LEU A 10 1.675 -3.750 -1.334 1.00 0.88 C ATOM 141 CD2 LEU A 10 0.868 -4.925 -3.384 1.00 0.79 C ATOM 0 H LEU A 10 1.953 -8.311 -0.174 1.00 0.43 H new ATOM 0 HA LEU A 10 1.747 -5.638 0.717 1.00 0.43 H new ATOM 0 HB2 LEU A 10 2.351 -6.375 -1.569 1.00 0.46 H new ATOM 0 HB3 LEU A 10 0.741 -7.033 -1.786 1.00 0.46 H new ATOM 0 HG LEU A 10 -0.196 -4.733 -1.550 1.00 0.57 H new ATOM 0 HD11 LEU A 10 1.320 -2.810 -1.756 1.00 0.88 H new ATOM 0 HD12 LEU A 10 1.593 -3.715 -0.248 1.00 0.88 H new ATOM 0 HD13 LEU A 10 2.717 -3.902 -1.614 1.00 0.88 H new ATOM 0 HD21 LEU A 10 0.531 -3.965 -3.774 1.00 0.79 H new ATOM 0 HD22 LEU A 10 1.887 -5.116 -3.721 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.212 -5.715 -3.748 1.00 0.79 H new ATOM 153 N ARG A 11 -1.018 -7.404 0.411 1.00 0.39 N ATOM 154 CA ARG A 11 -2.422 -7.529 0.783 1.00 0.44 C ATOM 155 C ARG A 11 -2.635 -7.119 2.223 1.00 0.44 C ATOM 156 O ARG A 11 -3.356 -6.158 2.499 1.00 0.48 O ATOM 157 CB ARG A 11 -2.882 -8.978 0.614 1.00 0.52 C ATOM 158 CG ARG A 11 -4.347 -9.210 0.935 1.00 0.70 C ATOM 159 CD ARG A 11 -4.682 -10.687 0.922 1.00 0.85 C ATOM 160 NE ARG A 11 -4.041 -11.423 2.023 1.00 1.22 N ATOM 161 CZ ARG A 11 -3.595 -12.685 1.944 1.00 1.67 C ATOM 162 NH1 ARG A 11 -3.564 -13.310 0.762 1.00 2.17 N ATOM 163 NH2 ARG A 11 -3.127 -13.301 3.027 1.00 2.23 N ATOM 0 H ARG A 11 -0.648 -8.236 -0.049 1.00 0.39 H new ATOM 0 HA ARG A 11 -3.001 -6.874 0.132 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -2.694 -9.289 -0.414 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.276 -9.617 1.257 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -4.579 -8.790 1.914 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -4.969 -8.687 0.209 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -5.763 -10.811 0.988 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -4.369 -11.118 -0.029 1.00 0.85 H new ATOM 0 HE ARG A 11 -3.927 -10.937 2.913 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -3.880 -12.827 -0.079 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -3.225 -14.270 0.701 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -3.106 -12.813 3.922 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -2.789 -14.261 2.962 1.00 2.23 H new ATOM 177 N ARG A 12 -1.989 -7.847 3.136 1.00 0.47 N ATOM 178 CA ARG A 12 -2.139 -7.595 4.551 1.00 0.54 C ATOM 179 C ARG A 12 -1.699 -6.179 4.914 1.00 0.54 C ATOM 180 O ARG A 12 -2.365 -5.478 5.678 1.00 0.62 O ATOM 181 CB ARG A 12 -1.416 -8.635 5.403 1.00 0.64 C ATOM 182 CG ARG A 12 0.081 -8.481 5.461 1.00 1.04 C ATOM 183 CD ARG A 12 0.677 -9.265 6.610 1.00 1.27 C ATOM 184 NE ARG A 12 0.086 -8.849 7.893 1.00 1.78 N ATOM 185 CZ ARG A 12 0.305 -9.401 9.073 1.00 2.34 C ATOM 186 NH1 ARG A 12 1.315 -10.244 9.254 1.00 2.59 N ATOM 187 NH2 ARG A 12 -0.472 -9.068 10.090 1.00 3.25 N ATOM 0 H ARG A 12 -1.358 -8.615 2.909 1.00 0.47 H new ATOM 0 HA ARG A 12 -3.202 -7.683 4.776 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -1.810 -8.589 6.418 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.649 -9.626 5.015 1.00 0.64 H new ATOM 0 HG2 ARG A 12 0.519 -8.820 4.522 1.00 1.04 H new ATOM 0 HG3 ARG A 12 0.335 -7.427 5.569 1.00 1.04 H new ATOM 0 HD2 ARG A 12 0.507 -10.330 6.455 1.00 1.27 H new ATOM 0 HD3 ARG A 12 1.756 -9.115 6.637 1.00 1.27 H new ATOM 0 HE ARG A 12 -0.556 -8.057 7.868 1.00 1.78 H new ATOM 0 HH11 ARG A 12 1.934 -10.473 8.476 1.00 2.59 H new ATOM 0 HH12 ARG A 12 1.472 -10.663 10.171 1.00 2.59 H new ATOM 0 HH21 ARG A 12 -1.226 -8.395 9.956 1.00 3.25 H new ATOM 0 HH22 ARG A 12 -0.317 -9.485 11.008 1.00 3.25 H new ATOM 201 N ALA A 13 -0.616 -5.745 4.311 1.00 0.52 N ATOM 202 CA ALA A 13 -0.074 -4.431 4.574 1.00 0.59 C ATOM 203 C ALA A 13 -1.072 -3.358 4.180 1.00 0.59 C ATOM 204 O ALA A 13 -1.267 -2.392 4.906 1.00 0.69 O ATOM 205 CB ALA A 13 1.247 -4.235 3.848 1.00 0.66 C ATOM 0 H ALA A 13 -0.088 -6.289 3.628 1.00 0.52 H new ATOM 0 HA ALA A 13 0.116 -4.346 5.644 1.00 0.59 H new ATOM 0 HB1 ALA A 13 1.635 -3.239 4.061 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.963 -4.984 4.187 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.091 -4.341 2.774 1.00 0.66 H new ATOM 211 N LEU A 14 -1.703 -3.541 3.056 1.00 0.52 N ATOM 212 CA LEU A 14 -2.714 -2.630 2.594 1.00 0.55 C ATOM 213 C LEU A 14 -4.012 -2.702 3.436 1.00 0.58 C ATOM 214 O LEU A 14 -4.430 -1.700 4.052 1.00 0.68 O ATOM 215 CB LEU A 14 -3.025 -2.872 1.107 1.00 0.52 C ATOM 216 CG LEU A 14 -1.883 -2.628 0.113 1.00 0.56 C ATOM 217 CD1 LEU A 14 -2.362 -2.868 -1.299 1.00 1.30 C ATOM 218 CD2 LEU A 14 -1.328 -1.221 0.247 1.00 1.05 C ATOM 0 H LEU A 14 -1.531 -4.329 2.431 1.00 0.52 H new ATOM 0 HA LEU A 14 -2.310 -1.625 2.716 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -3.360 -3.903 0.993 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -3.862 -2.232 0.827 1.00 0.52 H new ATOM 0 HG LEU A 14 -1.081 -3.329 0.342 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -1.543 -2.692 -1.996 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -2.706 -3.898 -1.396 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -3.183 -2.188 -1.525 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -0.520 -1.079 -0.471 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -2.119 -0.498 0.051 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -0.946 -1.075 1.257 1.00 1.05 H new ATOM 230 N VAL A 15 -4.600 -3.893 3.524 1.00 0.57 N ATOM 231 CA VAL A 15 -5.937 -4.064 4.120 1.00 0.66 C ATOM 232 C VAL A 15 -5.991 -3.745 5.622 1.00 0.72 C ATOM 233 O VAL A 15 -6.960 -3.140 6.102 1.00 0.91 O ATOM 234 CB VAL A 15 -6.564 -5.472 3.815 1.00 0.70 C ATOM 235 CG1 VAL A 15 -5.812 -6.609 4.500 1.00 0.88 C ATOM 236 CG2 VAL A 15 -8.049 -5.503 4.161 1.00 1.01 C ATOM 0 H VAL A 15 -4.177 -4.759 3.192 1.00 0.57 H new ATOM 0 HA VAL A 15 -6.555 -3.316 3.624 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.463 -5.633 2.742 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -6.287 -7.559 4.256 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -4.778 -6.621 4.155 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -5.832 -6.460 5.580 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -8.454 -6.490 3.939 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -8.180 -5.287 5.221 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -8.576 -4.753 3.570 1.00 1.01 H new ATOM 246 N GLU A 16 -4.944 -4.084 6.353 1.00 0.66 N ATOM 247 CA GLU A 16 -4.937 -3.861 7.797 1.00 0.79 C ATOM 248 C GLU A 16 -4.784 -2.376 8.117 1.00 0.83 C ATOM 249 O GLU A 16 -5.128 -1.927 9.203 1.00 0.98 O ATOM 250 CB GLU A 16 -3.829 -4.671 8.469 1.00 0.94 C ATOM 251 CG GLU A 16 -3.919 -6.171 8.236 1.00 1.08 C ATOM 252 CD GLU A 16 -2.735 -6.917 8.803 1.00 1.28 C ATOM 253 OE1 GLU A 16 -1.637 -6.838 8.229 1.00 1.49 O ATOM 254 OE2 GLU A 16 -2.880 -7.601 9.824 1.00 1.71 O ATOM 0 H GLU A 16 -4.095 -4.510 5.981 1.00 0.66 H new ATOM 0 HA GLU A 16 -5.895 -4.199 8.193 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -2.865 -4.316 8.106 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -3.855 -4.480 9.542 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -4.835 -6.551 8.689 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -3.988 -6.366 7.166 1.00 1.08 H new ATOM 261 N SER A 17 -4.243 -1.630 7.181 1.00 0.77 N ATOM 262 CA SER A 17 -4.069 -0.211 7.361 1.00 0.91 C ATOM 263 C SER A 17 -5.332 0.550 6.936 1.00 0.95 C ATOM 264 O SER A 17 -5.741 1.521 7.585 1.00 1.24 O ATOM 265 CB SER A 17 -2.885 0.255 6.546 1.00 0.98 C ATOM 266 OG SER A 17 -1.772 -0.615 6.749 1.00 1.24 O ATOM 0 H SER A 17 -3.915 -1.987 6.283 1.00 0.77 H new ATOM 0 HA SER A 17 -3.889 -0.009 8.417 1.00 0.91 H new ATOM 0 HB2 SER A 17 -3.149 0.279 5.489 1.00 0.98 H new ATOM 0 HB3 SER A 17 -2.617 1.273 6.830 1.00 0.98 H new ATOM 0 HG SER A 17 -1.627 -1.154 5.943 1.00 1.24 H new ATOM 272 N ALA A 18 -5.958 0.079 5.857 1.00 0.83 N ATOM 273 CA ALA A 18 -7.120 0.742 5.279 1.00 0.94 C ATOM 274 C ALA A 18 -8.376 0.503 6.090 1.00 1.41 C ATOM 275 O ALA A 18 -9.222 1.398 6.217 1.00 2.05 O ATOM 276 CB ALA A 18 -7.334 0.283 3.849 1.00 1.05 C ATOM 0 H ALA A 18 -5.674 -0.768 5.364 1.00 0.83 H new ATOM 0 HA ALA A 18 -6.917 1.813 5.291 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -8.206 0.787 3.432 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -6.454 0.526 3.253 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -7.496 -0.795 3.833 1.00 1.05 H new ATOM 282 N GLY A 19 -8.516 -0.686 6.617 1.00 1.80 N ATOM 283 CA GLY A 19 -9.670 -0.996 7.410 1.00 2.47 C ATOM 284 C GLY A 19 -10.631 -1.861 6.651 1.00 2.48 C ATOM 285 O GLY A 19 -10.308 -2.352 5.565 1.00 3.01 O ATOM 0 H GLY A 19 -7.848 -1.449 6.511 1.00 1.80 H new ATOM 0 HA2 GLY A 19 -9.361 -1.505 8.323 1.00 2.47 H new ATOM 0 HA3 GLY A 19 -10.166 -0.074 7.711 1.00 2.47 H new ATOM 289 N GLU A 20 -11.800 -2.045 7.195 1.00 2.56 N ATOM 290 CA GLU A 20 -12.804 -2.855 6.575 1.00 2.99 C ATOM 291 C GLU A 20 -13.948 -1.971 6.077 1.00 3.37 C ATOM 292 O GLU A 20 -14.984 -1.816 6.725 1.00 3.90 O ATOM 293 CB GLU A 20 -13.266 -3.979 7.534 1.00 3.57 C ATOM 294 CG GLU A 20 -13.772 -3.486 8.889 1.00 4.14 C ATOM 295 CD GLU A 20 -14.052 -4.589 9.861 1.00 4.54 C ATOM 296 OE1 GLU A 20 -14.909 -5.455 9.567 1.00 4.96 O ATOM 297 OE2 GLU A 20 -13.452 -4.612 10.942 1.00 4.80 O ATOM 0 H GLU A 20 -12.083 -1.635 8.085 1.00 2.56 H new ATOM 0 HA GLU A 20 -12.389 -3.357 5.701 1.00 2.99 H new ATOM 0 HB2 GLU A 20 -14.059 -4.550 7.050 1.00 3.57 H new ATOM 0 HB3 GLU A 20 -12.434 -4.664 7.698 1.00 3.57 H new ATOM 0 HG2 GLU A 20 -13.032 -2.812 9.320 1.00 4.14 H new ATOM 0 HG3 GLU A 20 -14.682 -2.906 8.738 1.00 4.14 H new ATOM 304 N THR A 21 -13.737 -1.357 4.938 1.00 3.68 N ATOM 305 CA THR A 21 -14.687 -0.409 4.365 1.00 4.48 C ATOM 306 C THR A 21 -15.861 -1.140 3.650 1.00 4.44 C ATOM 307 O THR A 21 -16.192 -0.855 2.495 1.00 4.98 O ATOM 308 CB THR A 21 -13.934 0.506 3.382 1.00 5.48 C ATOM 309 OG1 THR A 21 -12.649 0.797 3.953 1.00 5.80 O ATOM 310 CG2 THR A 21 -14.678 1.821 3.175 1.00 6.23 C ATOM 0 H THR A 21 -12.900 -1.495 4.372 1.00 3.68 H new ATOM 0 HA THR A 21 -15.125 0.187 5.166 1.00 4.48 H new ATOM 0 HB THR A 21 -13.846 0.003 2.419 1.00 5.48 H new ATOM 0 HG1 THR A 21 -12.145 1.378 3.346 1.00 5.80 H new ATOM 0 HG21 THR A 21 -14.123 2.447 2.476 1.00 6.23 H new ATOM 0 HG22 THR A 21 -15.670 1.618 2.771 1.00 6.23 H new ATOM 0 HG23 THR A 21 -14.773 2.339 4.129 1.00 6.23 H new ATOM 318 N ASP A 22 -16.480 -2.061 4.390 1.00 4.14 N ATOM 319 CA ASP A 22 -17.645 -2.873 3.980 1.00 4.35 C ATOM 320 C ASP A 22 -17.440 -3.708 2.704 1.00 4.02 C ATOM 321 O ASP A 22 -17.281 -4.934 2.774 1.00 4.29 O ATOM 322 CB ASP A 22 -18.922 -2.030 3.864 1.00 4.92 C ATOM 323 CG ASP A 22 -20.130 -2.864 3.487 1.00 5.42 C ATOM 324 OD1 ASP A 22 -20.807 -3.388 4.386 1.00 5.81 O ATOM 325 OD2 ASP A 22 -20.425 -3.014 2.287 1.00 5.76 O ATOM 0 H ASP A 22 -16.174 -2.278 5.339 1.00 4.14 H new ATOM 0 HA ASP A 22 -17.760 -3.592 4.791 1.00 4.35 H new ATOM 0 HB2 ASP A 22 -19.111 -1.529 4.813 1.00 4.92 H new ATOM 0 HB3 ASP A 22 -18.774 -1.251 3.116 1.00 4.92 H new ATOM 330 N GLY A 23 -17.440 -3.057 1.565 1.00 3.87 N ATOM 331 CA GLY A 23 -17.387 -3.740 0.310 1.00 3.86 C ATOM 332 C GLY A 23 -16.289 -3.229 -0.563 1.00 3.70 C ATOM 333 O GLY A 23 -16.533 -2.536 -1.546 1.00 4.24 O ATOM 0 H GLY A 23 -17.477 -2.040 1.490 1.00 3.87 H new ATOM 0 HA2 GLY A 23 -17.244 -4.806 0.484 1.00 3.86 H new ATOM 0 HA3 GLY A 23 -18.341 -3.626 -0.205 1.00 3.86 H new ATOM 337 N THR A 24 -15.093 -3.540 -0.186 1.00 3.36 N ATOM 338 CA THR A 24 -13.928 -3.196 -0.937 1.00 3.53 C ATOM 339 C THR A 24 -12.984 -4.398 -0.878 1.00 2.73 C ATOM 340 O THR A 24 -12.225 -4.576 0.077 1.00 3.11 O ATOM 341 CB THR A 24 -13.268 -1.860 -0.401 1.00 4.59 C ATOM 342 OG1 THR A 24 -12.076 -1.541 -1.125 1.00 5.10 O ATOM 343 CG2 THR A 24 -12.974 -1.896 1.101 1.00 5.14 C ATOM 0 H THR A 24 -14.892 -4.052 0.673 1.00 3.36 H new ATOM 0 HA THR A 24 -14.179 -2.985 -1.976 1.00 3.53 H new ATOM 0 HB THR A 24 -14.008 -1.077 -0.567 1.00 4.59 H new ATOM 0 HG1 THR A 24 -11.528 -0.923 -0.597 1.00 5.10 H new ATOM 0 HG21 THR A 24 -12.523 -0.952 1.406 1.00 5.14 H new ATOM 0 HG22 THR A 24 -13.903 -2.048 1.650 1.00 5.14 H new ATOM 0 HG23 THR A 24 -12.286 -2.714 1.318 1.00 5.14 H new ATOM 351 N ASP A 25 -13.147 -5.312 -1.826 1.00 2.22 N ATOM 352 CA ASP A 25 -12.346 -6.521 -1.807 1.00 2.06 C ATOM 353 C ASP A 25 -10.912 -6.212 -2.185 1.00 1.66 C ATOM 354 O ASP A 25 -10.594 -5.810 -3.312 1.00 1.97 O ATOM 355 CB ASP A 25 -12.948 -7.697 -2.622 1.00 2.79 C ATOM 356 CG ASP A 25 -12.860 -7.551 -4.114 1.00 3.18 C ATOM 357 OD1 ASP A 25 -13.616 -6.742 -4.685 1.00 3.73 O ATOM 358 OD2 ASP A 25 -12.030 -8.231 -4.751 1.00 3.49 O ATOM 0 H ASP A 25 -13.810 -5.241 -2.598 1.00 2.22 H new ATOM 0 HA ASP A 25 -12.355 -6.886 -0.780 1.00 2.06 H new ATOM 0 HB2 ASP A 25 -12.440 -8.617 -2.332 1.00 2.79 H new ATOM 0 HB3 ASP A 25 -13.996 -7.811 -2.345 1.00 2.79 H new ATOM 363 N LEU A 26 -10.076 -6.335 -1.203 1.00 1.45 N ATOM 364 CA LEU A 26 -8.674 -6.023 -1.296 1.00 1.10 C ATOM 365 C LEU A 26 -7.883 -7.261 -0.885 1.00 1.10 C ATOM 366 O LEU A 26 -6.654 -7.252 -0.777 1.00 1.60 O ATOM 367 CB LEU A 26 -8.392 -4.844 -0.338 1.00 0.99 C ATOM 368 CG LEU A 26 -6.988 -4.235 -0.336 1.00 1.10 C ATOM 369 CD1 LEU A 26 -6.656 -3.655 -1.692 1.00 1.49 C ATOM 370 CD2 LEU A 26 -6.890 -3.163 0.728 1.00 1.62 C ATOM 0 H LEU A 26 -10.355 -6.667 -0.280 1.00 1.45 H new ATOM 0 HA LEU A 26 -8.384 -5.742 -2.308 1.00 1.10 H new ATOM 0 HB2 LEU A 26 -9.100 -4.049 -0.571 1.00 0.99 H new ATOM 0 HB3 LEU A 26 -8.611 -5.179 0.676 1.00 0.99 H new ATOM 0 HG LEU A 26 -6.269 -5.023 -0.114 1.00 1.10 H new ATOM 0 HD11 LEU A 26 -5.654 -3.227 -1.669 1.00 1.49 H new ATOM 0 HD12 LEU A 26 -6.697 -4.442 -2.445 1.00 1.49 H new ATOM 0 HD13 LEU A 26 -7.377 -2.877 -1.941 1.00 1.49 H new ATOM 0 HD21 LEU A 26 -5.887 -2.735 0.722 1.00 1.62 H new ATOM 0 HD22 LEU A 26 -7.620 -2.380 0.524 1.00 1.62 H new ATOM 0 HD23 LEU A 26 -7.092 -3.601 1.705 1.00 1.62 H new ATOM 382 N SER A 27 -8.594 -8.330 -0.669 1.00 1.08 N ATOM 383 CA SER A 27 -7.994 -9.533 -0.225 1.00 1.10 C ATOM 384 C SER A 27 -7.726 -10.483 -1.398 1.00 1.13 C ATOM 385 O SER A 27 -8.600 -11.255 -1.821 1.00 1.60 O ATOM 386 CB SER A 27 -8.863 -10.193 0.855 1.00 1.37 C ATOM 387 OG SER A 27 -8.211 -11.306 1.441 1.00 1.84 O ATOM 0 H SER A 27 -9.604 -8.382 -0.799 1.00 1.08 H new ATOM 0 HA SER A 27 -7.028 -9.296 0.220 1.00 1.10 H new ATOM 0 HB2 SER A 27 -9.102 -9.462 1.628 1.00 1.37 H new ATOM 0 HB3 SER A 27 -9.808 -10.514 0.417 1.00 1.37 H new ATOM 0 HG SER A 27 -8.791 -11.702 2.125 1.00 1.84 H new ATOM 393 N GLY A 28 -6.552 -10.364 -1.973 1.00 0.95 N ATOM 394 CA GLY A 28 -6.154 -11.273 -3.010 1.00 1.09 C ATOM 395 C GLY A 28 -5.860 -10.582 -4.304 1.00 0.84 C ATOM 396 O GLY A 28 -4.700 -10.354 -4.637 1.00 1.04 O ATOM 0 H GLY A 28 -5.863 -9.649 -1.739 1.00 0.95 H new ATOM 0 HA2 GLY A 28 -5.269 -11.821 -2.687 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -6.944 -12.007 -3.167 1.00 1.09 H new ATOM 400 N ASP A 29 -6.893 -10.220 -5.012 1.00 0.80 N ATOM 401 CA ASP A 29 -6.738 -9.581 -6.305 1.00 0.86 C ATOM 402 C ASP A 29 -7.055 -8.110 -6.171 1.00 0.77 C ATOM 403 O ASP A 29 -8.179 -7.737 -5.816 1.00 1.01 O ATOM 404 CB ASP A 29 -7.639 -10.246 -7.346 1.00 1.28 C ATOM 405 CG ASP A 29 -7.407 -9.713 -8.737 1.00 1.96 C ATOM 406 OD1 ASP A 29 -6.325 -9.909 -9.290 1.00 2.61 O ATOM 407 OD2 ASP A 29 -8.308 -9.036 -9.278 1.00 2.38 O ATOM 0 H ASP A 29 -7.861 -10.354 -4.720 1.00 0.80 H new ATOM 0 HA ASP A 29 -5.708 -9.693 -6.645 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -7.464 -11.322 -7.339 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -8.682 -10.091 -7.071 1.00 1.28 H new ATOM 412 N PHE A 30 -6.065 -7.284 -6.425 1.00 0.58 N ATOM 413 CA PHE A 30 -6.175 -5.835 -6.204 1.00 0.52 C ATOM 414 C PHE A 30 -5.023 -5.048 -6.858 1.00 0.46 C ATOM 415 O PHE A 30 -5.094 -3.832 -6.970 1.00 0.44 O ATOM 416 CB PHE A 30 -6.164 -5.544 -4.679 1.00 0.56 C ATOM 417 CG PHE A 30 -4.928 -6.063 -3.959 1.00 0.57 C ATOM 418 CD1 PHE A 30 -3.798 -5.275 -3.843 1.00 0.73 C ATOM 419 CD2 PHE A 30 -4.907 -7.324 -3.392 1.00 0.67 C ATOM 420 CE1 PHE A 30 -2.680 -5.733 -3.179 1.00 0.86 C ATOM 421 CE2 PHE A 30 -3.793 -7.782 -2.725 1.00 0.84 C ATOM 422 CZ PHE A 30 -2.668 -7.029 -2.671 1.00 0.89 C ATOM 0 H PHE A 30 -5.160 -7.582 -6.789 1.00 0.58 H new ATOM 0 HA PHE A 30 -7.109 -5.511 -6.663 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -6.237 -4.467 -4.524 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -7.050 -5.991 -4.228 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -3.791 -4.287 -4.279 1.00 0.73 H new ATOM 0 HD2 PHE A 30 -5.777 -7.959 -3.474 1.00 0.67 H new ATOM 0 HE1 PHE A 30 -1.820 -5.091 -3.054 1.00 0.86 H new ATOM 0 HE2 PHE A 30 -3.816 -8.748 -2.242 1.00 0.84 H new ATOM 0 HZ PHE A 30 -1.766 -7.433 -2.236 1.00 0.89 H new ATOM 432 N LEU A 31 -3.977 -5.759 -7.276 1.00 0.48 N ATOM 433 CA LEU A 31 -2.716 -5.190 -7.754 1.00 0.49 C ATOM 434 C LEU A 31 -2.879 -4.107 -8.846 1.00 0.43 C ATOM 435 O LEU A 31 -2.139 -3.115 -8.855 1.00 0.46 O ATOM 436 CB LEU A 31 -1.813 -6.331 -8.238 1.00 0.62 C ATOM 437 CG LEU A 31 -0.374 -5.980 -8.593 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.365 -5.453 -7.372 1.00 1.15 C ATOM 439 CD2 LEU A 31 0.331 -7.200 -9.153 1.00 1.53 C ATOM 0 H LEU A 31 -3.983 -6.779 -7.292 1.00 0.48 H new ATOM 0 HA LEU A 31 -2.259 -4.667 -6.914 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -1.792 -7.097 -7.463 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -2.277 -6.779 -9.116 1.00 0.62 H new ATOM 0 HG LEU A 31 -0.381 -5.197 -9.351 1.00 0.73 H new ATOM 0 HD11 LEU A 31 1.391 -5.208 -7.646 1.00 1.15 H new ATOM 0 HD12 LEU A 31 -0.136 -4.558 -7.002 1.00 1.15 H new ATOM 0 HD13 LEU A 31 0.370 -6.215 -6.593 1.00 1.15 H new ATOM 0 HD21 LEU A 31 1.360 -6.942 -9.405 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.328 -7.996 -8.408 1.00 1.53 H new ATOM 0 HD23 LEU A 31 -0.188 -7.540 -10.049 1.00 1.53 H new ATOM 451 N ASP A 32 -3.854 -4.280 -9.721 1.00 0.43 N ATOM 452 CA ASP A 32 -4.050 -3.368 -10.855 1.00 0.49 C ATOM 453 C ASP A 32 -5.131 -2.341 -10.563 1.00 0.41 C ATOM 454 O ASP A 32 -5.476 -1.529 -11.426 1.00 0.51 O ATOM 455 CB ASP A 32 -4.452 -4.145 -12.126 1.00 0.68 C ATOM 456 CG ASP A 32 -3.475 -5.227 -12.527 1.00 1.43 C ATOM 457 OD1 ASP A 32 -2.448 -4.912 -13.158 1.00 2.17 O ATOM 458 OD2 ASP A 32 -3.731 -6.419 -12.213 1.00 1.99 O ATOM 0 H ASP A 32 -4.529 -5.043 -9.675 1.00 0.43 H new ATOM 0 HA ASP A 32 -3.099 -2.859 -11.015 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -5.431 -4.596 -11.968 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -4.555 -3.441 -12.951 1.00 0.68 H new ATOM 463 N LEU A 33 -5.686 -2.380 -9.380 1.00 0.36 N ATOM 464 CA LEU A 33 -6.755 -1.464 -9.014 1.00 0.35 C ATOM 465 C LEU A 33 -6.205 -0.157 -8.472 1.00 0.32 C ATOM 466 O LEU A 33 -5.174 -0.134 -7.824 1.00 0.38 O ATOM 467 CB LEU A 33 -7.764 -2.102 -8.026 1.00 0.46 C ATOM 468 CG LEU A 33 -8.779 -3.127 -8.603 1.00 0.70 C ATOM 469 CD1 LEU A 33 -8.105 -4.355 -9.193 1.00 1.56 C ATOM 470 CD2 LEU A 33 -9.783 -3.535 -7.540 1.00 1.56 C ATOM 0 H LEU A 33 -5.420 -3.036 -8.645 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.304 -1.242 -9.929 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -7.197 -2.597 -7.238 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.329 -1.297 -7.555 1.00 0.46 H new ATOM 0 HG LEU A 33 -9.300 -2.628 -9.420 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -8.863 -5.035 -9.581 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -7.441 -4.052 -10.003 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -7.526 -4.859 -8.419 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -10.487 -4.253 -7.961 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -9.259 -3.990 -6.700 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -10.326 -2.655 -7.195 1.00 1.56 H new ATOM 482 N ARG A 34 -6.883 0.919 -8.763 1.00 0.39 N ATOM 483 CA ARG A 34 -6.481 2.239 -8.306 1.00 0.49 C ATOM 484 C ARG A 34 -6.845 2.389 -6.829 1.00 0.45 C ATOM 485 O ARG A 34 -7.999 2.132 -6.456 1.00 0.50 O ATOM 486 CB ARG A 34 -7.221 3.314 -9.119 1.00 0.73 C ATOM 487 CG ARG A 34 -6.989 3.256 -10.628 1.00 0.89 C ATOM 488 CD ARG A 34 -5.587 3.695 -11.027 1.00 0.95 C ATOM 489 NE ARG A 34 -5.357 5.125 -10.775 1.00 1.79 N ATOM 490 CZ ARG A 34 -4.472 5.896 -11.435 1.00 2.53 C ATOM 491 NH1 ARG A 34 -3.774 5.410 -12.475 1.00 2.76 N ATOM 492 NH2 ARG A 34 -4.321 7.167 -11.074 1.00 3.48 N ATOM 0 H ARG A 34 -7.734 0.915 -9.325 1.00 0.39 H new ATOM 0 HA ARG A 34 -5.406 2.359 -8.439 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -8.290 3.221 -8.927 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -6.916 4.296 -8.757 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -7.159 2.238 -10.978 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -7.720 3.892 -11.128 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -4.854 3.108 -10.474 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -5.430 3.485 -12.085 1.00 0.95 H new ATOM 0 HE ARG A 34 -5.912 5.568 -10.042 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -3.911 4.445 -12.775 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -3.107 6.006 -12.965 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -4.872 7.548 -10.305 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -3.654 7.761 -11.566 1.00 3.48 H new ATOM 506 N PHE A 35 -5.871 2.799 -5.993 1.00 0.43 N ATOM 507 CA PHE A 35 -6.092 3.027 -4.538 1.00 0.43 C ATOM 508 C PHE A 35 -7.304 3.895 -4.286 1.00 0.48 C ATOM 509 O PHE A 35 -8.081 3.641 -3.365 1.00 0.52 O ATOM 510 CB PHE A 35 -4.878 3.665 -3.849 1.00 0.44 C ATOM 511 CG PHE A 35 -3.739 2.738 -3.548 1.00 0.47 C ATOM 512 CD1 PHE A 35 -3.940 1.593 -2.804 1.00 0.52 C ATOM 513 CD2 PHE A 35 -2.463 3.042 -3.955 1.00 0.53 C ATOM 514 CE1 PHE A 35 -2.887 0.768 -2.478 1.00 0.58 C ATOM 515 CE2 PHE A 35 -1.403 2.219 -3.640 1.00 0.59 C ATOM 516 CZ PHE A 35 -1.616 1.082 -2.899 1.00 0.60 C ATOM 0 H PHE A 35 -4.915 2.982 -6.297 1.00 0.43 H new ATOM 0 HA PHE A 35 -6.255 2.038 -4.111 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -4.508 4.472 -4.481 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -5.210 4.118 -2.915 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -4.937 1.341 -2.473 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -2.288 3.939 -4.530 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -3.059 -0.124 -1.893 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -0.407 2.468 -3.975 1.00 0.59 H new ATOM 0 HZ PHE A 35 -0.787 0.436 -2.648 1.00 0.60 H new ATOM 526 N GLU A 36 -7.470 4.861 -5.164 1.00 0.53 N ATOM 527 CA GLU A 36 -8.534 5.857 -5.145 1.00 0.67 C ATOM 528 C GLU A 36 -9.912 5.196 -4.999 1.00 0.73 C ATOM 529 O GLU A 36 -10.784 5.684 -4.272 1.00 0.87 O ATOM 530 CB GLU A 36 -8.492 6.595 -6.479 1.00 0.75 C ATOM 531 CG GLU A 36 -7.135 7.196 -6.814 1.00 1.26 C ATOM 532 CD GLU A 36 -7.021 7.549 -8.269 1.00 1.59 C ATOM 533 OE1 GLU A 36 -6.785 6.658 -9.107 1.00 2.04 O ATOM 534 OE2 GLU A 36 -7.155 8.739 -8.602 1.00 1.90 O ATOM 0 H GLU A 36 -6.836 4.984 -5.954 1.00 0.53 H new ATOM 0 HA GLU A 36 -8.385 6.529 -4.300 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -8.778 5.905 -7.273 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -9.237 7.391 -6.465 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -6.975 8.089 -6.210 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -6.350 6.488 -6.550 1.00 1.26 H new ATOM 541 N ASP A 37 -10.097 4.084 -5.683 1.00 0.70 N ATOM 542 CA ASP A 37 -11.377 3.400 -5.683 1.00 0.83 C ATOM 543 C ASP A 37 -11.492 2.378 -4.559 1.00 0.82 C ATOM 544 O ASP A 37 -12.575 2.132 -4.041 1.00 0.98 O ATOM 545 CB ASP A 37 -11.644 2.738 -7.029 1.00 0.94 C ATOM 546 CG ASP A 37 -12.981 2.038 -7.058 1.00 1.41 C ATOM 547 OD1 ASP A 37 -14.026 2.717 -7.060 1.00 1.71 O ATOM 548 OD2 ASP A 37 -13.006 0.794 -7.058 1.00 2.12 O ATOM 0 H ASP A 37 -9.376 3.634 -6.247 1.00 0.70 H new ATOM 0 HA ASP A 37 -12.136 4.162 -5.508 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -11.612 3.491 -7.816 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -10.853 2.019 -7.243 1.00 0.94 H new ATOM 553 N ILE A 38 -10.377 1.848 -4.123 1.00 0.68 N ATOM 554 CA ILE A 38 -10.396 0.759 -3.151 1.00 0.70 C ATOM 555 C ILE A 38 -10.289 1.250 -1.708 1.00 0.72 C ATOM 556 O ILE A 38 -9.618 0.651 -0.871 1.00 0.82 O ATOM 557 CB ILE A 38 -9.325 -0.329 -3.466 1.00 0.69 C ATOM 558 CG1 ILE A 38 -7.926 0.298 -3.618 1.00 0.63 C ATOM 559 CG2 ILE A 38 -9.723 -1.097 -4.718 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.818 -0.679 -3.966 1.00 0.75 C ATOM 0 H ILE A 38 -9.446 2.143 -4.417 1.00 0.68 H new ATOM 0 HA ILE A 38 -11.375 0.289 -3.248 1.00 0.70 H new ATOM 0 HB ILE A 38 -9.278 -1.027 -2.630 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -7.970 1.064 -4.392 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -7.667 0.801 -2.686 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -8.971 -1.856 -4.934 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -10.688 -1.577 -4.559 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.795 -0.408 -5.560 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.873 -0.142 -4.051 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -6.738 -1.433 -3.182 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -7.046 -1.165 -4.915 1.00 0.75 H new ATOM 572 N GLY A 39 -11.004 2.317 -1.421 1.00 0.75 N ATOM 573 CA GLY A 39 -11.090 2.832 -0.071 1.00 0.87 C ATOM 574 C GLY A 39 -10.046 3.874 0.271 1.00 0.68 C ATOM 575 O GLY A 39 -10.235 4.666 1.203 1.00 0.76 O ATOM 0 H GLY A 39 -11.537 2.848 -2.110 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.079 3.265 0.077 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -10.998 2.001 0.628 1.00 0.87 H new ATOM 579 N TYR A 40 -8.975 3.916 -0.471 1.00 0.55 N ATOM 580 CA TYR A 40 -7.911 4.846 -0.174 1.00 0.52 C ATOM 581 C TYR A 40 -8.221 6.197 -0.730 1.00 0.56 C ATOM 582 O TYR A 40 -8.058 6.449 -1.916 1.00 0.71 O ATOM 583 CB TYR A 40 -6.565 4.367 -0.695 1.00 0.60 C ATOM 584 CG TYR A 40 -6.104 3.070 -0.107 1.00 0.55 C ATOM 585 CD1 TYR A 40 -6.581 1.877 -0.587 1.00 0.75 C ATOM 586 CD2 TYR A 40 -5.190 3.042 0.930 1.00 0.62 C ATOM 587 CE1 TYR A 40 -6.169 0.688 -0.059 1.00 0.94 C ATOM 588 CE2 TYR A 40 -4.770 1.857 1.465 1.00 0.79 C ATOM 589 CZ TYR A 40 -5.247 0.697 0.978 1.00 0.93 C ATOM 590 OH TYR A 40 -4.856 -0.487 1.483 1.00 1.21 O ATOM 0 H TYR A 40 -8.812 3.322 -1.284 1.00 0.55 H new ATOM 0 HA TYR A 40 -7.841 4.910 0.912 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -6.625 4.261 -1.778 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -5.816 5.132 -0.490 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -7.295 1.879 -1.397 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -4.802 3.970 1.323 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -6.554 -0.245 -0.442 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -4.057 1.851 2.276 1.00 0.79 H new ATOM 0 HH TYR A 40 -4.695 -0.395 2.445 1.00 1.21 H new ATOM 600 N ASP A 41 -8.697 7.048 0.118 1.00 0.58 N ATOM 601 CA ASP A 41 -8.989 8.400 -0.267 1.00 0.77 C ATOM 602 C ASP A 41 -7.710 9.205 -0.165 1.00 0.91 C ATOM 603 O ASP A 41 -7.312 9.883 -1.109 1.00 1.78 O ATOM 604 CB ASP A 41 -10.082 8.962 0.634 1.00 0.86 C ATOM 605 CG ASP A 41 -10.456 10.376 0.312 1.00 1.62 C ATOM 606 OD1 ASP A 41 -9.824 11.302 0.846 1.00 2.07 O ATOM 607 OD2 ASP A 41 -11.421 10.587 -0.443 1.00 2.34 O ATOM 0 H ASP A 41 -8.896 6.833 1.095 1.00 0.58 H new ATOM 0 HA ASP A 41 -9.355 8.446 -1.293 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -10.968 8.333 0.552 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -9.749 8.910 1.671 1.00 0.86 H new ATOM 612 N SER A 42 -7.026 9.018 0.955 1.00 0.59 N ATOM 613 CA SER A 42 -5.733 9.651 1.243 1.00 0.58 C ATOM 614 C SER A 42 -5.291 9.292 2.661 1.00 0.51 C ATOM 615 O SER A 42 -4.158 8.870 2.882 1.00 0.51 O ATOM 616 CB SER A 42 -5.819 11.177 1.113 1.00 0.71 C ATOM 617 OG SER A 42 -6.798 11.695 2.072 1.00 0.97 O ATOM 0 H SER A 42 -7.355 8.412 1.707 1.00 0.59 H new ATOM 0 HA SER A 42 -5.007 9.283 0.518 1.00 0.58 H new ATOM 0 HB2 SER A 42 -4.842 11.624 1.297 1.00 0.71 H new ATOM 0 HB3 SER A 42 -6.108 11.450 0.098 1.00 0.71 H new ATOM 622 N LEU A 43 -6.208 9.436 3.602 1.00 0.48 N ATOM 623 CA LEU A 43 -5.969 9.138 5.011 1.00 0.51 C ATOM 624 C LEU A 43 -5.570 7.659 5.188 1.00 0.46 C ATOM 625 O LEU A 43 -4.565 7.352 5.833 1.00 0.50 O ATOM 626 CB LEU A 43 -7.230 9.543 5.836 1.00 0.60 C ATOM 627 CG LEU A 43 -7.191 9.460 7.383 1.00 0.76 C ATOM 628 CD1 LEU A 43 -7.301 8.032 7.885 1.00 1.40 C ATOM 629 CD2 LEU A 43 -5.935 10.132 7.930 1.00 1.64 C ATOM 0 H LEU A 43 -7.153 9.767 3.410 1.00 0.48 H new ATOM 0 HA LEU A 43 -5.130 9.721 5.390 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -7.477 10.571 5.571 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -8.056 8.919 5.497 1.00 0.60 H new ATOM 0 HG LEU A 43 -8.063 9.997 7.755 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -7.269 8.026 8.975 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -8.243 7.599 7.547 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -6.471 7.444 7.494 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -5.929 10.062 9.018 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -5.052 9.634 7.529 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -5.925 11.181 7.634 1.00 1.64 H new ATOM 641 N ALA A 44 -6.311 6.765 4.556 1.00 0.44 N ATOM 642 CA ALA A 44 -6.005 5.339 4.635 1.00 0.45 C ATOM 643 C ALA A 44 -4.674 5.054 3.975 1.00 0.41 C ATOM 644 O ALA A 44 -3.902 4.217 4.430 1.00 0.47 O ATOM 645 CB ALA A 44 -7.091 4.506 3.970 1.00 0.51 C ATOM 0 H ALA A 44 -7.124 6.995 3.985 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.956 5.066 5.689 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.836 3.449 4.045 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -8.044 4.685 4.469 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -7.173 4.786 2.920 1.00 0.51 H new ATOM 651 N LEU A 45 -4.391 5.796 2.928 1.00 0.39 N ATOM 652 CA LEU A 45 -3.180 5.617 2.161 1.00 0.42 C ATOM 653 C LEU A 45 -1.963 6.074 2.961 1.00 0.41 C ATOM 654 O LEU A 45 -0.949 5.379 3.000 1.00 0.44 O ATOM 655 CB LEU A 45 -3.280 6.362 0.826 1.00 0.50 C ATOM 656 CG LEU A 45 -2.085 6.234 -0.124 1.00 0.61 C ATOM 657 CD1 LEU A 45 -1.852 4.777 -0.514 1.00 1.19 C ATOM 658 CD2 LEU A 45 -2.313 7.082 -1.357 1.00 0.90 C ATOM 0 H LEU A 45 -4.996 6.542 2.584 1.00 0.39 H new ATOM 0 HA LEU A 45 -3.056 4.556 1.947 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -4.169 6.008 0.304 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -3.435 7.420 1.037 1.00 0.50 H new ATOM 0 HG LEU A 45 -1.193 6.590 0.392 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -0.998 4.713 -1.189 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -1.652 4.188 0.381 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -2.739 4.388 -1.013 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -1.459 6.986 -2.028 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -3.215 6.746 -1.868 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -2.429 8.126 -1.065 1.00 0.90 H new ATOM 670 N MET A 46 -2.085 7.211 3.635 1.00 0.42 N ATOM 671 CA MET A 46 -0.981 7.741 4.429 1.00 0.48 C ATOM 672 C MET A 46 -0.664 6.828 5.607 1.00 0.46 C ATOM 673 O MET A 46 0.506 6.611 5.922 1.00 0.53 O ATOM 674 CB MET A 46 -1.205 9.226 4.859 1.00 0.57 C ATOM 675 CG MET A 46 -2.340 9.505 5.859 1.00 0.58 C ATOM 676 SD MET A 46 -1.948 9.098 7.582 1.00 1.46 S ATOM 677 CE MET A 46 -0.534 10.159 7.884 1.00 1.78 C ATOM 0 H MET A 46 -2.931 7.781 3.649 1.00 0.42 H new ATOM 0 HA MET A 46 -0.100 7.756 3.787 1.00 0.48 H new ATOM 0 HB2 MET A 46 -0.275 9.596 5.291 1.00 0.57 H new ATOM 0 HB3 MET A 46 -1.395 9.813 3.960 1.00 0.57 H new ATOM 0 HG2 MET A 46 -2.606 10.560 5.801 1.00 0.58 H new ATOM 0 HG3 MET A 46 -3.220 8.937 5.557 1.00 0.58 H new ATOM 0 HE1 MET A 46 -0.435 10.337 8.955 1.00 1.78 H new ATOM 0 HE2 MET A 46 0.369 9.676 7.511 1.00 1.78 H new ATOM 0 HE3 MET A 46 -0.676 11.110 7.370 1.00 1.78 H new ATOM 687 N GLU A 47 -1.708 6.268 6.236 1.00 0.44 N ATOM 688 CA GLU A 47 -1.516 5.317 7.321 1.00 0.49 C ATOM 689 C GLU A 47 -0.819 4.066 6.828 1.00 0.47 C ATOM 690 O GLU A 47 0.077 3.537 7.494 1.00 0.51 O ATOM 691 CB GLU A 47 -2.824 4.958 8.012 1.00 0.54 C ATOM 692 CG GLU A 47 -3.419 6.076 8.833 1.00 0.78 C ATOM 693 CD GLU A 47 -4.482 5.580 9.770 1.00 1.06 C ATOM 694 OE1 GLU A 47 -4.123 5.022 10.822 1.00 1.03 O ATOM 695 OE2 GLU A 47 -5.679 5.769 9.506 1.00 1.88 O ATOM 0 H GLU A 47 -2.683 6.460 6.008 1.00 0.44 H new ATOM 0 HA GLU A 47 -0.881 5.806 8.059 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.548 4.652 7.257 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -2.655 4.097 8.659 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -2.631 6.565 9.405 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -3.844 6.828 8.168 1.00 0.78 H new ATOM 702 N THR A 48 -1.212 3.620 5.646 1.00 0.45 N ATOM 703 CA THR A 48 -0.602 2.469 5.021 1.00 0.48 C ATOM 704 C THR A 48 0.887 2.746 4.803 1.00 0.44 C ATOM 705 O THR A 48 1.734 1.998 5.290 1.00 0.46 O ATOM 706 CB THR A 48 -1.289 2.155 3.672 1.00 0.54 C ATOM 707 OG1 THR A 48 -2.695 1.940 3.894 1.00 0.63 O ATOM 708 CG2 THR A 48 -0.692 0.904 3.048 1.00 0.65 C ATOM 0 H THR A 48 -1.960 4.047 5.099 1.00 0.45 H new ATOM 0 HA THR A 48 -0.721 1.603 5.672 1.00 0.48 H new ATOM 0 HB THR A 48 -1.136 2.997 2.997 1.00 0.54 H new ATOM 0 HG1 THR A 48 -3.167 2.798 3.856 1.00 0.63 H new ATOM 0 HG21 THR A 48 -1.188 0.698 2.099 1.00 0.65 H new ATOM 0 HG22 THR A 48 0.373 1.057 2.875 1.00 0.65 H new ATOM 0 HG23 THR A 48 -0.833 0.059 3.722 1.00 0.65 H new ATOM 716 N ALA A 49 1.185 3.845 4.109 1.00 0.45 N ATOM 717 CA ALA A 49 2.554 4.246 3.810 1.00 0.48 C ATOM 718 C ALA A 49 3.396 4.359 5.090 1.00 0.44 C ATOM 719 O ALA A 49 4.524 3.873 5.138 1.00 0.45 O ATOM 720 CB ALA A 49 2.564 5.570 3.055 1.00 0.57 C ATOM 0 H ALA A 49 0.479 4.482 3.739 1.00 0.45 H new ATOM 0 HA ALA A 49 2.999 3.474 3.182 1.00 0.48 H new ATOM 0 HB1 ALA A 49 3.593 5.857 2.838 1.00 0.57 H new ATOM 0 HB2 ALA A 49 2.013 5.460 2.121 1.00 0.57 H new ATOM 0 HB3 ALA A 49 2.093 6.340 3.665 1.00 0.57 H new ATOM 726 N ALA A 50 2.816 4.960 6.128 1.00 0.44 N ATOM 727 CA ALA A 50 3.493 5.128 7.411 1.00 0.46 C ATOM 728 C ALA A 50 3.820 3.774 8.046 1.00 0.44 C ATOM 729 O ALA A 50 4.934 3.565 8.552 1.00 0.44 O ATOM 730 CB ALA A 50 2.644 5.968 8.352 1.00 0.56 C ATOM 0 H ALA A 50 1.870 5.341 6.103 1.00 0.44 H new ATOM 0 HA ALA A 50 4.434 5.648 7.230 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.162 6.084 9.304 1.00 0.56 H new ATOM 0 HB2 ALA A 50 2.473 6.949 7.910 1.00 0.56 H new ATOM 0 HB3 ALA A 50 1.687 5.473 8.518 1.00 0.56 H new ATOM 736 N ARG A 51 2.860 2.855 7.995 1.00 0.46 N ATOM 737 CA ARG A 51 3.041 1.512 8.527 1.00 0.48 C ATOM 738 C ARG A 51 4.114 0.771 7.737 1.00 0.46 C ATOM 739 O ARG A 51 4.909 0.031 8.303 1.00 0.49 O ATOM 740 CB ARG A 51 1.725 0.725 8.493 1.00 0.54 C ATOM 741 CG ARG A 51 1.852 -0.704 8.997 1.00 0.78 C ATOM 742 CD ARG A 51 0.555 -1.460 8.847 1.00 0.80 C ATOM 743 NE ARG A 51 0.691 -2.872 9.229 1.00 1.68 N ATOM 744 CZ ARG A 51 -0.029 -3.872 8.707 1.00 2.07 C ATOM 745 NH1 ARG A 51 -0.867 -3.637 7.692 1.00 1.80 N ATOM 746 NH2 ARG A 51 0.088 -5.101 9.179 1.00 3.14 N ATOM 0 H ARG A 51 1.940 3.021 7.586 1.00 0.46 H new ATOM 0 HA ARG A 51 3.360 1.600 9.565 1.00 0.48 H new ATOM 0 HB2 ARG A 51 0.983 1.249 9.096 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.349 0.708 7.470 1.00 0.54 H new ATOM 0 HG2 ARG A 51 2.639 -1.217 8.445 1.00 0.78 H new ATOM 0 HG3 ARG A 51 2.151 -0.696 10.045 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -0.211 -0.990 9.464 1.00 0.80 H new ATOM 0 HD3 ARG A 51 0.216 -1.396 7.813 1.00 0.80 H new ATOM 0 HE ARG A 51 1.382 -3.106 9.942 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -0.958 -2.694 7.314 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -1.415 -4.401 7.296 1.00 1.80 H new ATOM 0 HH21 ARG A 51 0.731 -5.293 9.947 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -0.465 -5.857 8.775 1.00 3.14 H new ATOM 760 N LEU A 52 4.131 0.985 6.429 1.00 0.44 N ATOM 761 CA LEU A 52 5.119 0.363 5.547 1.00 0.46 C ATOM 762 C LEU A 52 6.519 0.775 5.959 1.00 0.38 C ATOM 763 O LEU A 52 7.422 -0.067 6.068 1.00 0.40 O ATOM 764 CB LEU A 52 4.880 0.770 4.094 1.00 0.55 C ATOM 765 CG LEU A 52 3.525 0.407 3.497 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.392 0.995 2.118 1.00 0.83 C ATOM 767 CD2 LEU A 52 3.334 -1.097 3.450 1.00 0.80 C ATOM 0 H LEU A 52 3.466 1.590 5.948 1.00 0.44 H new ATOM 0 HA LEU A 52 5.016 -0.719 5.633 1.00 0.46 H new ATOM 0 HB2 LEU A 52 5.008 1.850 4.017 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.656 0.313 3.480 1.00 0.55 H new ATOM 0 HG LEU A 52 2.748 0.825 4.137 1.00 0.70 H new ATOM 0 HD11 LEU A 52 2.420 0.729 1.701 1.00 0.83 H new ATOM 0 HD12 LEU A 52 3.478 2.080 2.175 1.00 0.83 H new ATOM 0 HD13 LEU A 52 4.181 0.602 1.477 1.00 0.83 H new ATOM 0 HD21 LEU A 52 2.359 -1.327 3.020 1.00 0.80 H new ATOM 0 HD22 LEU A 52 4.116 -1.544 2.836 1.00 0.80 H new ATOM 0 HD23 LEU A 52 3.389 -1.503 4.460 1.00 0.80 H new ATOM 779 N GLU A 53 6.685 2.061 6.212 1.00 0.35 N ATOM 780 CA GLU A 53 7.959 2.598 6.635 1.00 0.33 C ATOM 781 C GLU A 53 8.385 1.979 7.952 1.00 0.34 C ATOM 782 O GLU A 53 9.505 1.504 8.082 1.00 0.41 O ATOM 783 CB GLU A 53 7.893 4.107 6.770 1.00 0.34 C ATOM 784 CG GLU A 53 7.516 4.825 5.498 1.00 0.35 C ATOM 785 CD GLU A 53 7.611 6.306 5.646 1.00 0.42 C ATOM 786 OE1 GLU A 53 6.672 6.938 6.161 1.00 0.59 O ATOM 787 OE2 GLU A 53 8.653 6.867 5.279 1.00 0.49 O ATOM 0 H GLU A 53 5.943 2.756 6.130 1.00 0.35 H new ATOM 0 HA GLU A 53 8.697 2.351 5.872 1.00 0.33 H new ATOM 0 HB2 GLU A 53 7.170 4.360 7.545 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.863 4.473 7.107 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.170 4.498 4.689 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.499 4.553 5.215 1.00 0.35 H new ATOM 794 N SER A 54 7.464 1.947 8.884 1.00 0.36 N ATOM 795 CA SER A 54 7.689 1.405 10.203 1.00 0.43 C ATOM 796 C SER A 54 8.026 -0.107 10.156 1.00 0.42 C ATOM 797 O SER A 54 9.070 -0.539 10.663 1.00 0.48 O ATOM 798 CB SER A 54 6.433 1.665 11.065 1.00 0.55 C ATOM 799 OG SER A 54 6.551 1.138 12.385 1.00 1.22 O ATOM 0 H SER A 54 6.519 2.304 8.745 1.00 0.36 H new ATOM 0 HA SER A 54 8.552 1.901 10.647 1.00 0.43 H new ATOM 0 HB2 SER A 54 6.253 2.738 11.122 1.00 0.55 H new ATOM 0 HB3 SER A 54 5.565 1.221 10.578 1.00 0.55 H new ATOM 0 HG SER A 54 5.732 1.330 12.888 1.00 1.22 H new ATOM 805 N ARG A 55 7.164 -0.887 9.525 1.00 0.44 N ATOM 806 CA ARG A 55 7.299 -2.337 9.509 1.00 0.51 C ATOM 807 C ARG A 55 8.521 -2.813 8.708 1.00 0.56 C ATOM 808 O ARG A 55 9.216 -3.743 9.125 1.00 0.64 O ATOM 809 CB ARG A 55 6.017 -3.002 8.963 1.00 0.60 C ATOM 810 CG ARG A 55 5.966 -4.513 9.176 1.00 0.77 C ATOM 811 CD ARG A 55 4.723 -5.146 8.556 1.00 0.95 C ATOM 812 NE ARG A 55 4.605 -6.567 8.922 1.00 1.51 N ATOM 813 CZ ARG A 55 4.362 -7.591 8.083 1.00 1.97 C ATOM 814 NH1 ARG A 55 4.219 -7.390 6.783 1.00 1.87 N ATOM 815 NH2 ARG A 55 4.263 -8.824 8.560 1.00 2.88 N ATOM 0 H ARG A 55 6.355 -0.537 9.012 1.00 0.44 H new ATOM 0 HA ARG A 55 7.452 -2.643 10.544 1.00 0.51 H new ATOM 0 HB2 ARG A 55 5.151 -2.548 9.444 1.00 0.60 H new ATOM 0 HB3 ARG A 55 5.936 -2.792 7.896 1.00 0.60 H new ATOM 0 HG2 ARG A 55 6.857 -4.969 8.743 1.00 0.77 H new ATOM 0 HG3 ARG A 55 5.985 -4.728 10.245 1.00 0.77 H new ATOM 0 HD2 ARG A 55 3.835 -4.608 8.888 1.00 0.95 H new ATOM 0 HD3 ARG A 55 4.767 -5.050 7.471 1.00 0.95 H new ATOM 0 HE ARG A 55 4.719 -6.798 9.909 1.00 1.51 H new ATOM 0 HH11 ARG A 55 4.293 -6.447 6.402 1.00 1.87 H new ATOM 0 HH12 ARG A 55 4.035 -8.178 6.162 1.00 1.87 H new ATOM 0 HH21 ARG A 55 4.371 -8.994 9.560 1.00 2.88 H new ATOM 0 HH22 ARG A 55 4.079 -9.602 7.927 1.00 2.88 H new ATOM 829 N TYR A 56 8.796 -2.182 7.578 1.00 0.56 N ATOM 830 CA TYR A 56 9.847 -2.680 6.693 1.00 0.67 C ATOM 831 C TYR A 56 11.148 -1.888 6.791 1.00 0.70 C ATOM 832 O TYR A 56 12.173 -2.311 6.255 1.00 0.86 O ATOM 833 CB TYR A 56 9.347 -2.736 5.245 1.00 0.75 C ATOM 834 CG TYR A 56 8.041 -3.486 5.111 1.00 0.85 C ATOM 835 CD1 TYR A 56 7.983 -4.850 5.339 1.00 1.09 C ATOM 836 CD2 TYR A 56 6.876 -2.837 4.727 1.00 0.82 C ATOM 837 CE1 TYR A 56 6.812 -5.549 5.192 1.00 1.24 C ATOM 838 CE2 TYR A 56 5.698 -3.532 4.570 1.00 0.96 C ATOM 839 CZ TYR A 56 5.623 -4.822 4.925 1.00 1.17 C ATOM 840 OH TYR A 56 4.507 -5.600 4.640 1.00 1.33 O ATOM 0 H TYR A 56 8.320 -1.341 7.253 1.00 0.56 H new ATOM 0 HA TYR A 56 10.084 -3.689 7.030 1.00 0.67 H new ATOM 0 HB2 TYR A 56 9.219 -1.721 4.869 1.00 0.75 H new ATOM 0 HB3 TYR A 56 10.102 -3.214 4.622 1.00 0.75 H new ATOM 0 HD1 TYR A 56 8.878 -5.375 5.639 1.00 1.09 H new ATOM 0 HD2 TYR A 56 6.894 -1.772 4.549 1.00 0.82 H new ATOM 0 HE1 TYR A 56 6.795 -6.625 5.277 1.00 1.24 H new ATOM 0 HE2 TYR A 56 4.831 -3.036 4.159 1.00 0.96 H new ATOM 0 HH TYR A 56 4.048 -5.238 3.854 1.00 1.33 H new ATOM 850 N GLY A 57 11.110 -0.756 7.463 1.00 0.61 N ATOM 851 CA GLY A 57 12.309 0.052 7.622 1.00 0.68 C ATOM 852 C GLY A 57 12.608 0.883 6.388 1.00 0.72 C ATOM 853 O GLY A 57 13.774 1.133 6.052 1.00 0.91 O ATOM 0 H GLY A 57 10.273 -0.375 7.905 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.189 0.711 8.482 1.00 0.68 H new ATOM 0 HA3 GLY A 57 13.158 -0.598 7.835 1.00 0.68 H new ATOM 857 N VAL A 58 11.569 1.324 5.722 1.00 0.62 N ATOM 858 CA VAL A 58 11.728 2.097 4.505 1.00 0.65 C ATOM 859 C VAL A 58 11.454 3.578 4.756 1.00 0.57 C ATOM 860 O VAL A 58 11.030 3.960 5.855 1.00 0.50 O ATOM 861 CB VAL A 58 10.887 1.559 3.305 1.00 0.67 C ATOM 862 CG1 VAL A 58 11.267 0.120 2.985 1.00 0.81 C ATOM 863 CG2 VAL A 58 9.390 1.665 3.574 1.00 0.57 C ATOM 0 H VAL A 58 10.601 1.163 5.999 1.00 0.62 H new ATOM 0 HA VAL A 58 12.771 1.981 4.209 1.00 0.65 H new ATOM 0 HB VAL A 58 11.114 2.183 2.441 1.00 0.67 H new ATOM 0 HG11 VAL A 58 10.669 -0.236 2.146 1.00 0.81 H new ATOM 0 HG12 VAL A 58 12.324 0.072 2.724 1.00 0.81 H new ATOM 0 HG13 VAL A 58 11.080 -0.508 3.856 1.00 0.81 H new ATOM 0 HG21 VAL A 58 8.838 1.281 2.716 1.00 0.57 H new ATOM 0 HG22 VAL A 58 9.137 1.081 4.459 1.00 0.57 H new ATOM 0 HG23 VAL A 58 9.123 2.709 3.739 1.00 0.57 H new ATOM 873 N SER A 59 11.702 4.402 3.767 1.00 0.63 N ATOM 874 CA SER A 59 11.484 5.822 3.881 1.00 0.63 C ATOM 875 C SER A 59 10.811 6.331 2.609 1.00 0.62 C ATOM 876 O SER A 59 11.453 6.470 1.561 1.00 0.73 O ATOM 877 CB SER A 59 12.823 6.525 4.107 1.00 0.83 C ATOM 878 OG SER A 59 13.519 5.960 5.226 1.00 1.41 O ATOM 0 H SER A 59 12.061 4.106 2.859 1.00 0.63 H new ATOM 0 HA SER A 59 10.834 6.035 4.729 1.00 0.63 H new ATOM 0 HB2 SER A 59 13.438 6.440 3.211 1.00 0.83 H new ATOM 0 HB3 SER A 59 12.655 7.588 4.278 1.00 0.83 H new ATOM 0 HG SER A 59 14.373 6.425 5.349 1.00 1.41 H new ATOM 884 N ILE A 60 9.518 6.553 2.701 1.00 0.52 N ATOM 885 CA ILE A 60 8.700 6.955 1.575 1.00 0.53 C ATOM 886 C ILE A 60 8.471 8.477 1.585 1.00 0.59 C ATOM 887 O ILE A 60 7.767 8.994 2.464 1.00 0.67 O ATOM 888 CB ILE A 60 7.319 6.229 1.602 1.00 0.51 C ATOM 889 CG1 ILE A 60 7.516 4.703 1.680 1.00 0.50 C ATOM 890 CG2 ILE A 60 6.496 6.595 0.366 1.00 0.57 C ATOM 891 CD1 ILE A 60 6.225 3.911 1.790 1.00 0.55 C ATOM 0 H ILE A 60 8.997 6.458 3.573 1.00 0.52 H new ATOM 0 HA ILE A 60 9.232 6.676 0.666 1.00 0.53 H new ATOM 0 HB ILE A 60 6.776 6.556 2.489 1.00 0.51 H new ATOM 0 HG12 ILE A 60 8.057 4.372 0.793 1.00 0.50 H new ATOM 0 HG13 ILE A 60 8.144 4.473 2.541 1.00 0.50 H new ATOM 0 HG21 ILE A 60 5.536 6.079 0.402 1.00 0.57 H new ATOM 0 HG22 ILE A 60 6.329 7.672 0.346 1.00 0.57 H new ATOM 0 HG23 ILE A 60 7.036 6.295 -0.532 1.00 0.57 H new ATOM 0 HD11 ILE A 60 6.454 2.847 1.840 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.691 4.210 2.692 1.00 0.55 H new ATOM 0 HD13 ILE A 60 5.602 4.108 0.917 1.00 0.55 H new ATOM 903 N PRO A 61 9.084 9.216 0.648 1.00 0.62 N ATOM 904 CA PRO A 61 8.880 10.670 0.521 1.00 0.71 C ATOM 905 C PRO A 61 7.448 10.991 0.052 1.00 0.65 C ATOM 906 O PRO A 61 6.792 10.145 -0.589 1.00 0.57 O ATOM 907 CB PRO A 61 9.899 11.084 -0.555 1.00 0.78 C ATOM 908 CG PRO A 61 10.852 9.942 -0.643 1.00 0.77 C ATOM 909 CD PRO A 61 10.052 8.719 -0.332 1.00 0.64 C ATOM 0 HA PRO A 61 9.013 11.195 1.467 1.00 0.71 H new ATOM 0 HB2 PRO A 61 9.410 11.265 -1.512 1.00 0.78 H new ATOM 0 HB3 PRO A 61 10.412 12.006 -0.279 1.00 0.78 H new ATOM 0 HG2 PRO A 61 11.294 9.878 -1.637 1.00 0.77 H new ATOM 0 HG3 PRO A 61 11.673 10.062 0.064 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.562 8.318 -1.219 1.00 0.64 H new ATOM 0 HD3 PRO A 61 10.672 7.922 0.078 1.00 0.64 H new ATOM 917 N ASP A 62 6.974 12.206 0.342 1.00 0.75 N ATOM 918 CA ASP A 62 5.583 12.622 0.022 1.00 0.78 C ATOM 919 C ASP A 62 5.282 12.556 -1.475 1.00 0.68 C ATOM 920 O ASP A 62 4.137 12.343 -1.868 1.00 0.67 O ATOM 921 CB ASP A 62 5.217 14.028 0.577 1.00 0.99 C ATOM 922 CG ASP A 62 5.824 15.190 -0.191 1.00 1.34 C ATOM 923 OD1 ASP A 62 5.253 15.610 -1.218 1.00 2.03 O ATOM 924 OD2 ASP A 62 6.876 15.701 0.217 1.00 1.88 O ATOM 0 H ASP A 62 7.527 12.930 0.800 1.00 0.75 H new ATOM 0 HA ASP A 62 4.952 11.894 0.532 1.00 0.78 H new ATOM 0 HB2 ASP A 62 4.132 14.134 0.573 1.00 0.99 H new ATOM 0 HB3 ASP A 62 5.539 14.089 1.616 1.00 0.99 H new ATOM 929 N ASP A 63 6.308 12.697 -2.304 1.00 0.67 N ATOM 930 CA ASP A 63 6.137 12.613 -3.763 1.00 0.67 C ATOM 931 C ASP A 63 5.841 11.194 -4.162 1.00 0.58 C ATOM 932 O ASP A 63 5.003 10.939 -5.022 1.00 0.60 O ATOM 933 CB ASP A 63 7.398 13.092 -4.502 1.00 0.85 C ATOM 934 CG ASP A 63 7.377 12.766 -5.994 1.00 1.44 C ATOM 935 OD1 ASP A 63 6.677 13.479 -6.766 1.00 1.95 O ATOM 936 OD2 ASP A 63 8.045 11.806 -6.423 1.00 2.23 O ATOM 0 H ASP A 63 7.266 12.870 -2.001 1.00 0.67 H new ATOM 0 HA ASP A 63 5.305 13.261 -4.040 1.00 0.67 H new ATOM 0 HB2 ASP A 63 7.501 14.169 -4.373 1.00 0.85 H new ATOM 0 HB3 ASP A 63 8.275 12.632 -4.048 1.00 0.85 H new ATOM 941 N VAL A 64 6.470 10.277 -3.475 1.00 0.60 N ATOM 942 CA VAL A 64 6.309 8.877 -3.756 1.00 0.64 C ATOM 943 C VAL A 64 4.979 8.403 -3.189 1.00 0.60 C ATOM 944 O VAL A 64 4.213 7.740 -3.874 1.00 0.58 O ATOM 945 CB VAL A 64 7.466 8.052 -3.159 1.00 0.84 C ATOM 946 CG1 VAL A 64 7.290 6.587 -3.491 1.00 0.97 C ATOM 947 CG2 VAL A 64 8.801 8.553 -3.685 1.00 0.98 C ATOM 0 H VAL A 64 7.108 10.481 -2.705 1.00 0.60 H new ATOM 0 HA VAL A 64 6.322 8.733 -4.836 1.00 0.64 H new ATOM 0 HB VAL A 64 7.453 8.170 -2.075 1.00 0.84 H new ATOM 0 HG11 VAL A 64 8.114 6.016 -3.064 1.00 0.97 H new ATOM 0 HG12 VAL A 64 6.347 6.231 -3.076 1.00 0.97 H new ATOM 0 HG13 VAL A 64 7.282 6.458 -4.573 1.00 0.97 H new ATOM 0 HG21 VAL A 64 9.608 7.960 -3.254 1.00 0.98 H new ATOM 0 HG22 VAL A 64 8.822 8.460 -4.771 1.00 0.98 H new ATOM 0 HG23 VAL A 64 8.932 9.599 -3.408 1.00 0.98 H new ATOM 957 N ALA A 65 4.702 8.779 -1.949 1.00 0.72 N ATOM 958 CA ALA A 65 3.445 8.423 -1.288 1.00 0.85 C ATOM 959 C ALA A 65 2.242 8.986 -2.051 1.00 0.80 C ATOM 960 O ALA A 65 1.166 8.408 -2.048 1.00 0.90 O ATOM 961 CB ALA A 65 3.444 8.920 0.150 1.00 1.09 C ATOM 0 H ALA A 65 5.334 9.335 -1.373 1.00 0.72 H new ATOM 0 HA ALA A 65 3.361 7.336 -1.283 1.00 0.85 H new ATOM 0 HB1 ALA A 65 2.503 8.648 0.628 1.00 1.09 H new ATOM 0 HB2 ALA A 65 4.272 8.465 0.693 1.00 1.09 H new ATOM 0 HB3 ALA A 65 3.556 10.004 0.160 1.00 1.09 H new ATOM 967 N GLY A 66 2.447 10.107 -2.716 1.00 0.73 N ATOM 968 CA GLY A 66 1.389 10.709 -3.478 1.00 0.81 C ATOM 969 C GLY A 66 1.317 10.202 -4.908 1.00 0.73 C ATOM 970 O GLY A 66 0.335 10.451 -5.598 1.00 0.92 O ATOM 0 H GLY A 66 3.334 10.611 -2.739 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.438 10.515 -2.983 1.00 0.81 H new ATOM 0 HA3 GLY A 66 1.528 11.790 -3.489 1.00 0.81 H new ATOM 974 N ARG A 67 2.353 9.501 -5.367 1.00 0.56 N ATOM 975 CA ARG A 67 2.368 9.013 -6.750 1.00 0.61 C ATOM 976 C ARG A 67 1.993 7.541 -6.824 1.00 0.58 C ATOM 977 O ARG A 67 1.814 6.996 -7.910 1.00 0.79 O ATOM 978 CB ARG A 67 3.726 9.247 -7.435 1.00 0.63 C ATOM 979 CG ARG A 67 4.847 8.329 -6.973 1.00 0.57 C ATOM 980 CD ARG A 67 6.172 8.730 -7.593 1.00 0.87 C ATOM 981 NE ARG A 67 7.233 7.762 -7.303 1.00 1.64 N ATOM 982 CZ ARG A 67 8.546 8.042 -7.310 1.00 2.30 C ATOM 983 NH1 ARG A 67 8.969 9.306 -7.284 1.00 2.40 N ATOM 984 NH2 ARG A 67 9.441 7.062 -7.258 1.00 3.30 N ATOM 0 H ARG A 67 3.178 9.261 -4.817 1.00 0.56 H new ATOM 0 HA ARG A 67 1.618 9.592 -7.289 1.00 0.61 H new ATOM 0 HB2 ARG A 67 3.599 9.127 -8.511 1.00 0.63 H new ATOM 0 HB3 ARG A 67 4.029 10.280 -7.264 1.00 0.63 H new ATOM 0 HG2 ARG A 67 4.925 8.364 -5.886 1.00 0.57 H new ATOM 0 HG3 ARG A 67 4.613 7.299 -7.243 1.00 0.57 H new ATOM 0 HD2 ARG A 67 6.053 8.824 -8.672 1.00 0.87 H new ATOM 0 HD3 ARG A 67 6.465 9.711 -7.218 1.00 0.87 H new ATOM 0 HE ARG A 67 6.954 6.807 -7.080 1.00 1.64 H new ATOM 0 HH11 ARG A 67 8.293 10.070 -7.259 1.00 2.40 H new ATOM 0 HH12 ARG A 67 9.968 9.510 -7.290 1.00 2.40 H new ATOM 0 HH21 ARG A 67 9.132 6.091 -7.212 1.00 3.30 H new ATOM 0 HH22 ARG A 67 10.437 7.280 -7.264 1.00 3.30 H new ATOM 998 N VAL A 68 1.887 6.892 -5.682 1.00 0.45 N ATOM 999 CA VAL A 68 1.502 5.503 -5.669 1.00 0.45 C ATOM 1000 C VAL A 68 -0.011 5.379 -5.721 1.00 0.46 C ATOM 1001 O VAL A 68 -0.712 5.410 -4.724 1.00 0.53 O ATOM 1002 CB VAL A 68 2.149 4.668 -4.512 1.00 0.53 C ATOM 1003 CG1 VAL A 68 3.640 4.516 -4.753 1.00 1.45 C ATOM 1004 CG2 VAL A 68 1.925 5.288 -3.146 1.00 0.85 C ATOM 0 H VAL A 68 2.060 7.301 -4.764 1.00 0.45 H new ATOM 0 HA VAL A 68 1.912 5.050 -6.572 1.00 0.45 H new ATOM 0 HB VAL A 68 1.661 3.693 -4.516 1.00 0.53 H new ATOM 0 HG11 VAL A 68 4.082 3.934 -3.944 1.00 1.45 H new ATOM 0 HG12 VAL A 68 3.805 4.003 -5.701 1.00 1.45 H new ATOM 0 HG13 VAL A 68 4.105 5.501 -4.788 1.00 1.45 H new ATOM 0 HG21 VAL A 68 2.395 4.667 -2.383 1.00 0.85 H new ATOM 0 HG22 VAL A 68 2.364 6.286 -3.123 1.00 0.85 H new ATOM 0 HG23 VAL A 68 0.855 5.357 -2.949 1.00 0.85 H new ATOM 1014 N ASP A 69 -0.480 5.344 -6.937 1.00 0.47 N ATOM 1015 CA ASP A 69 -1.896 5.283 -7.290 1.00 0.53 C ATOM 1016 C ASP A 69 -2.395 3.854 -7.370 1.00 0.42 C ATOM 1017 O ASP A 69 -3.600 3.598 -7.303 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.097 5.955 -8.654 1.00 0.71 C ATOM 1019 CG ASP A 69 -1.084 5.482 -9.697 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -1.154 4.325 -10.173 1.00 2.04 O ATOM 1021 OD2 ASP A 69 -0.148 6.257 -10.000 1.00 1.82 O ATOM 0 H ASP A 69 0.130 5.357 -7.754 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.461 5.797 -6.512 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -3.105 5.748 -9.012 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -2.016 7.036 -8.538 1.00 0.71 H new ATOM 1026 N THR A 70 -1.488 2.937 -7.484 1.00 0.35 N ATOM 1027 CA THR A 70 -1.811 1.543 -7.597 1.00 0.29 C ATOM 1028 C THR A 70 -0.893 0.721 -6.702 1.00 0.26 C ATOM 1029 O THR A 70 0.264 1.126 -6.451 1.00 0.29 O ATOM 1030 CB THR A 70 -1.656 1.078 -9.062 1.00 0.37 C ATOM 1031 OG1 THR A 70 -0.478 1.673 -9.628 1.00 0.50 O ATOM 1032 CG2 THR A 70 -2.875 1.432 -9.901 1.00 0.39 C ATOM 0 H THR A 70 -0.487 3.134 -7.502 1.00 0.35 H new ATOM 0 HA THR A 70 -2.845 1.398 -7.283 1.00 0.29 H new ATOM 0 HB THR A 70 -1.563 -0.008 -9.065 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.662 2.608 -9.858 1.00 0.50 H new ATOM 0 HG21 THR A 70 -2.725 1.087 -10.924 1.00 0.39 H new ATOM 0 HG22 THR A 70 -3.758 0.950 -9.481 1.00 0.39 H new ATOM 0 HG23 THR A 70 -3.017 2.513 -9.899 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.387 -0.428 -6.169 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.583 -1.339 -5.356 1.00 0.31 C ATOM 1042 C PRO A 71 0.639 -1.795 -6.123 1.00 0.32 C ATOM 1043 O PRO A 71 1.673 -2.037 -5.542 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.521 -2.517 -5.098 1.00 0.34 C ATOM 1045 CG PRO A 71 -2.877 -1.935 -5.212 1.00 0.34 C ATOM 1046 CD PRO A 71 -2.776 -0.903 -6.286 1.00 0.30 C ATOM 0 HA PRO A 71 -0.217 -0.878 -4.438 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.368 -3.314 -5.825 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.355 -2.949 -4.111 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.612 -2.698 -5.468 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.195 -1.491 -4.269 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -2.975 -1.326 -7.271 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.492 -0.095 -6.136 1.00 0.30 H new ATOM 1054 N ARG A 72 0.483 -1.890 -7.443 1.00 0.32 N ATOM 1055 CA ARG A 72 1.555 -2.209 -8.384 1.00 0.38 C ATOM 1056 C ARG A 72 2.786 -1.315 -8.105 1.00 0.35 C ATOM 1057 O ARG A 72 3.884 -1.805 -7.807 1.00 0.36 O ATOM 1058 CB ARG A 72 1.035 -1.949 -9.808 1.00 0.45 C ATOM 1059 CG ARG A 72 2.001 -2.291 -10.924 1.00 0.88 C ATOM 1060 CD ARG A 72 1.474 -1.804 -12.269 1.00 0.81 C ATOM 1061 NE ARG A 72 0.179 -2.409 -12.661 1.00 0.86 N ATOM 1062 CZ ARG A 72 -0.779 -1.770 -13.375 1.00 1.05 C ATOM 1063 NH1 ARG A 72 -0.649 -0.480 -13.663 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -1.868 -2.418 -13.776 1.00 1.55 N ATOM 0 H ARG A 72 -0.417 -1.743 -7.899 1.00 0.32 H new ATOM 0 HA ARG A 72 1.853 -3.252 -8.274 1.00 0.38 H new ATOM 0 HB2 ARG A 72 0.120 -2.523 -9.953 1.00 0.45 H new ATOM 0 HB3 ARG A 72 0.767 -0.896 -9.892 1.00 0.45 H new ATOM 0 HG2 ARG A 72 2.971 -1.836 -10.723 1.00 0.88 H new ATOM 0 HG3 ARG A 72 2.156 -3.369 -10.959 1.00 0.88 H new ATOM 0 HD2 ARG A 72 1.362 -0.720 -12.233 1.00 0.81 H new ATOM 0 HD3 ARG A 72 2.214 -2.023 -13.039 1.00 0.81 H new ATOM 0 HE ARG A 72 -0.003 -3.371 -12.374 1.00 0.86 H new ATOM 0 HH11 ARG A 72 0.174 0.033 -13.346 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -1.372 -0.002 -14.201 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -1.988 -3.405 -13.547 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -2.584 -1.929 -14.313 1.00 1.55 H new ATOM 1078 N GLU A 73 2.567 -0.004 -8.178 1.00 0.34 N ATOM 1079 CA GLU A 73 3.608 0.992 -7.937 1.00 0.36 C ATOM 1080 C GLU A 73 4.063 1.033 -6.489 1.00 0.32 C ATOM 1081 O GLU A 73 5.238 1.265 -6.207 1.00 0.35 O ATOM 1082 CB GLU A 73 3.147 2.368 -8.387 1.00 0.42 C ATOM 1083 CG GLU A 73 3.084 2.513 -9.888 1.00 0.60 C ATOM 1084 CD GLU A 73 4.442 2.344 -10.516 1.00 1.37 C ATOM 1085 OE1 GLU A 73 5.255 3.270 -10.458 1.00 1.78 O ATOM 1086 OE2 GLU A 73 4.721 1.253 -11.075 1.00 2.18 O ATOM 0 H GLU A 73 1.658 0.399 -8.407 1.00 0.34 H new ATOM 0 HA GLU A 73 4.471 0.690 -8.530 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.161 2.569 -7.967 1.00 0.42 H new ATOM 0 HB3 GLU A 73 3.824 3.121 -7.984 1.00 0.42 H new ATOM 0 HG2 GLU A 73 2.398 1.772 -10.298 1.00 0.60 H new ATOM 0 HG3 GLU A 73 2.683 3.494 -10.143 1.00 0.60 H new ATOM 1093 N LEU A 74 3.142 0.820 -5.576 1.00 0.31 N ATOM 1094 CA LEU A 74 3.478 0.834 -4.165 1.00 0.32 C ATOM 1095 C LEU A 74 4.401 -0.353 -3.847 1.00 0.30 C ATOM 1096 O LEU A 74 5.432 -0.187 -3.188 1.00 0.31 O ATOM 1097 CB LEU A 74 2.181 0.861 -3.298 1.00 0.36 C ATOM 1098 CG LEU A 74 2.325 1.051 -1.761 1.00 0.39 C ATOM 1099 CD1 LEU A 74 2.796 -0.219 -1.075 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.279 2.207 -1.454 1.00 0.44 C ATOM 0 H LEU A 74 2.160 0.636 -5.780 1.00 0.31 H new ATOM 0 HA LEU A 74 4.027 1.742 -3.915 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.546 1.663 -3.674 1.00 0.36 H new ATOM 0 HB3 LEU A 74 1.647 -0.074 -3.469 1.00 0.36 H new ATOM 0 HG LEU A 74 1.337 1.289 -1.367 1.00 0.39 H new ATOM 0 HD11 LEU A 74 2.883 -0.043 -0.003 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.076 -1.018 -1.254 1.00 0.44 H new ATOM 0 HD13 LEU A 74 3.767 -0.510 -1.475 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.369 2.327 -0.374 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.260 1.992 -1.878 1.00 0.44 H new ATOM 0 HD23 LEU A 74 2.889 3.127 -1.890 1.00 0.44 H new ATOM 1112 N LEU A 75 4.032 -1.525 -4.350 1.00 0.29 N ATOM 1113 CA LEU A 75 4.814 -2.748 -4.201 1.00 0.30 C ATOM 1114 C LEU A 75 6.207 -2.530 -4.766 1.00 0.29 C ATOM 1115 O LEU A 75 7.210 -2.912 -4.155 1.00 0.30 O ATOM 1116 CB LEU A 75 4.126 -3.898 -4.947 1.00 0.33 C ATOM 1117 CG LEU A 75 4.749 -5.279 -4.792 1.00 0.37 C ATOM 1118 CD1 LEU A 75 4.695 -5.712 -3.345 1.00 0.41 C ATOM 1119 CD2 LEU A 75 4.034 -6.284 -5.676 1.00 0.45 C ATOM 0 H LEU A 75 3.170 -1.655 -4.880 1.00 0.29 H new ATOM 0 HA LEU A 75 4.888 -3.003 -3.144 1.00 0.30 H new ATOM 0 HB2 LEU A 75 3.091 -3.951 -4.611 1.00 0.33 H new ATOM 0 HB3 LEU A 75 4.104 -3.651 -6.008 1.00 0.33 H new ATOM 0 HG LEU A 75 5.793 -5.231 -5.103 1.00 0.37 H new ATOM 0 HD11 LEU A 75 5.143 -6.701 -3.244 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.246 -5.000 -2.731 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.657 -5.748 -3.015 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.491 -7.266 -5.554 1.00 0.45 H new ATOM 0 HD22 LEU A 75 2.983 -6.335 -5.392 1.00 0.45 H new ATOM 0 HD23 LEU A 75 4.114 -5.974 -6.718 1.00 0.45 H new ATOM 1131 N ASP A 76 6.243 -1.874 -5.920 1.00 0.31 N ATOM 1132 CA ASP A 76 7.480 -1.530 -6.607 1.00 0.34 C ATOM 1133 C ASP A 76 8.403 -0.725 -5.719 1.00 0.32 C ATOM 1134 O ASP A 76 9.591 -1.072 -5.571 1.00 0.34 O ATOM 1135 CB ASP A 76 7.194 -0.763 -7.903 1.00 0.45 C ATOM 1136 CG ASP A 76 8.448 -0.184 -8.521 1.00 0.78 C ATOM 1137 OD1 ASP A 76 9.232 -0.957 -9.113 1.00 0.90 O ATOM 1138 OD2 ASP A 76 8.669 1.037 -8.423 1.00 1.25 O ATOM 0 H ASP A 76 5.404 -1.563 -6.410 1.00 0.31 H new ATOM 0 HA ASP A 76 7.980 -2.465 -6.858 1.00 0.34 H new ATOM 0 HB2 ASP A 76 6.715 -1.431 -8.619 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.489 0.042 -7.697 1.00 0.45 H new ATOM 1143 N LEU A 77 7.855 0.313 -5.086 1.00 0.32 N ATOM 1144 CA LEU A 77 8.638 1.166 -4.219 1.00 0.36 C ATOM 1145 C LEU A 77 9.169 0.371 -3.038 1.00 0.34 C ATOM 1146 O LEU A 77 10.338 0.491 -2.690 1.00 0.40 O ATOM 1147 CB LEU A 77 7.807 2.406 -3.775 1.00 0.41 C ATOM 1148 CG LEU A 77 8.502 3.498 -2.905 1.00 0.53 C ATOM 1149 CD1 LEU A 77 8.678 3.080 -1.446 1.00 0.94 C ATOM 1150 CD2 LEU A 77 9.844 3.907 -3.507 1.00 1.35 C ATOM 0 H LEU A 77 6.872 0.576 -5.163 1.00 0.32 H new ATOM 0 HA LEU A 77 9.500 1.542 -4.769 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.429 2.891 -4.675 1.00 0.41 H new ATOM 0 HB3 LEU A 77 6.941 2.043 -3.221 1.00 0.41 H new ATOM 0 HG LEU A 77 7.833 4.359 -2.908 1.00 0.53 H new ATOM 0 HD11 LEU A 77 9.167 3.883 -0.894 1.00 0.94 H new ATOM 0 HD12 LEU A 77 7.702 2.879 -1.005 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.291 2.180 -1.397 1.00 0.94 H new ATOM 0 HD21 LEU A 77 10.307 4.669 -2.880 1.00 1.35 H new ATOM 0 HD22 LEU A 77 10.498 3.037 -3.563 1.00 1.35 H new ATOM 0 HD23 LEU A 77 9.687 4.307 -4.509 1.00 1.35 H new ATOM 1162 N ILE A 78 8.334 -0.471 -2.460 1.00 0.30 N ATOM 1163 CA ILE A 78 8.735 -1.251 -1.302 1.00 0.32 C ATOM 1164 C ILE A 78 9.846 -2.227 -1.680 1.00 0.33 C ATOM 1165 O ILE A 78 10.890 -2.240 -1.042 1.00 0.39 O ATOM 1166 CB ILE A 78 7.536 -2.010 -0.665 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.450 -1.018 -0.206 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.000 -2.868 0.515 1.00 0.38 C ATOM 1169 CD1 ILE A 78 6.922 0.006 0.819 1.00 0.42 C ATOM 0 H ILE A 78 7.376 -0.633 -2.771 1.00 0.30 H new ATOM 0 HA ILE A 78 9.111 -0.555 -0.553 1.00 0.32 H new ATOM 0 HB ILE A 78 7.111 -2.668 -1.424 1.00 0.33 H new ATOM 0 HG12 ILE A 78 6.066 -0.490 -1.079 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.618 -1.580 0.218 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.144 -3.389 0.944 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.733 -3.597 0.169 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.454 -2.229 1.273 1.00 0.38 H new ATOM 0 HD11 ILE A 78 6.094 0.663 1.085 1.00 0.42 H new ATOM 0 HD12 ILE A 78 7.277 -0.509 1.711 1.00 0.42 H new ATOM 0 HD13 ILE A 78 7.733 0.598 0.395 1.00 0.42 H new ATOM 1181 N ASN A 79 9.645 -2.989 -2.744 1.00 0.33 N ATOM 1182 CA ASN A 79 10.650 -3.969 -3.194 1.00 0.38 C ATOM 1183 C ASN A 79 11.963 -3.303 -3.553 1.00 0.38 C ATOM 1184 O ASN A 79 13.043 -3.828 -3.243 1.00 0.42 O ATOM 1185 CB ASN A 79 10.143 -4.812 -4.375 1.00 0.46 C ATOM 1186 CG ASN A 79 9.085 -5.808 -3.966 1.00 0.57 C ATOM 1187 OD1 ASN A 79 9.084 -6.284 -2.842 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.185 -6.127 -4.854 1.00 0.82 N ATOM 0 H ASN A 79 8.802 -2.956 -3.317 1.00 0.33 H new ATOM 0 HA ASN A 79 10.825 -4.638 -2.351 1.00 0.38 H new ATOM 0 HB2 ASN A 79 9.737 -4.151 -5.141 1.00 0.46 H new ATOM 0 HB3 ASN A 79 10.982 -5.343 -4.824 1.00 0.46 H new ATOM 0 HD21 ASN A 79 7.450 -6.794 -4.618 1.00 0.82 H new ATOM 0 HD22 ASN A 79 8.216 -5.710 -5.784 1.00 0.82 H new ATOM 1195 N GLY A 80 11.874 -2.127 -4.153 1.00 0.38 N ATOM 1196 CA GLY A 80 13.053 -1.385 -4.512 1.00 0.46 C ATOM 1197 C GLY A 80 13.749 -0.804 -3.292 1.00 0.50 C ATOM 1198 O GLY A 80 14.981 -0.749 -3.234 1.00 0.62 O ATOM 0 H GLY A 80 10.994 -1.673 -4.398 1.00 0.38 H new ATOM 0 HA2 GLY A 80 13.743 -2.037 -5.048 1.00 0.46 H new ATOM 0 HA3 GLY A 80 12.781 -0.579 -5.194 1.00 0.46 H new ATOM 1202 N ALA A 81 12.969 -0.370 -2.321 1.00 0.47 N ATOM 1203 CA ALA A 81 13.499 0.207 -1.096 1.00 0.57 C ATOM 1204 C ALA A 81 14.111 -0.858 -0.200 1.00 0.62 C ATOM 1205 O ALA A 81 15.143 -0.625 0.422 1.00 0.80 O ATOM 1206 CB ALA A 81 12.424 0.976 -0.351 1.00 0.59 C ATOM 0 H ALA A 81 11.950 -0.406 -2.357 1.00 0.47 H new ATOM 0 HA ALA A 81 14.289 0.903 -1.376 1.00 0.57 H new ATOM 0 HB1 ALA A 81 12.845 1.398 0.562 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.048 1.780 -0.983 1.00 0.59 H new ATOM 0 HB3 ALA A 81 11.606 0.303 -0.096 1.00 0.59 H new ATOM 1212 N LEU A 82 13.490 -2.038 -0.166 1.00 0.54 N ATOM 1213 CA LEU A 82 13.966 -3.166 0.650 1.00 0.61 C ATOM 1214 C LEU A 82 15.394 -3.560 0.301 1.00 0.74 C ATOM 1215 O LEU A 82 16.163 -3.957 1.173 1.00 0.89 O ATOM 1216 CB LEU A 82 13.033 -4.381 0.532 1.00 0.54 C ATOM 1217 CG LEU A 82 11.632 -4.214 1.130 1.00 0.58 C ATOM 1218 CD1 LEU A 82 10.781 -5.445 0.866 1.00 0.63 C ATOM 1219 CD2 LEU A 82 11.719 -3.939 2.622 1.00 0.68 C ATOM 0 H LEU A 82 12.645 -2.243 -0.700 1.00 0.54 H new ATOM 0 HA LEU A 82 13.957 -2.826 1.685 1.00 0.61 H new ATOM 0 HB2 LEU A 82 12.928 -4.632 -0.523 1.00 0.54 H new ATOM 0 HB3 LEU A 82 13.514 -5.231 1.016 1.00 0.54 H new ATOM 0 HG LEU A 82 11.156 -3.361 0.647 1.00 0.58 H new ATOM 0 HD11 LEU A 82 9.791 -5.303 1.300 1.00 0.63 H new ATOM 0 HD12 LEU A 82 10.687 -5.599 -0.209 1.00 0.63 H new ATOM 0 HD13 LEU A 82 11.253 -6.317 1.318 1.00 0.63 H new ATOM 0 HD21 LEU A 82 10.715 -3.823 3.030 1.00 0.68 H new ATOM 0 HD22 LEU A 82 12.218 -4.772 3.117 1.00 0.68 H new ATOM 0 HD23 LEU A 82 12.287 -3.024 2.791 1.00 0.68 H new ATOM 1231 N ALA A 83 15.758 -3.406 -0.956 1.00 0.83 N ATOM 1232 CA ALA A 83 17.106 -3.715 -1.419 1.00 1.07 C ATOM 1233 C ALA A 83 18.142 -2.826 -0.713 1.00 1.28 C ATOM 1234 O ALA A 83 19.272 -3.240 -0.459 1.00 1.46 O ATOM 1235 CB ALA A 83 17.188 -3.528 -2.926 1.00 1.27 C ATOM 0 H ALA A 83 15.134 -3.065 -1.687 1.00 0.83 H new ATOM 0 HA ALA A 83 17.329 -4.754 -1.175 1.00 1.07 H new ATOM 0 HB1 ALA A 83 18.197 -3.760 -3.267 1.00 1.27 H new ATOM 0 HB2 ALA A 83 16.477 -4.195 -3.415 1.00 1.27 H new ATOM 0 HB3 ALA A 83 16.948 -2.495 -3.178 1.00 1.27 H new ATOM 1241 N GLU A 84 17.718 -1.625 -0.349 1.00 1.34 N ATOM 1242 CA GLU A 84 18.576 -0.644 0.296 1.00 1.64 C ATOM 1243 C GLU A 84 18.237 -0.500 1.774 1.00 1.75 C ATOM 1244 O GLU A 84 18.688 0.432 2.436 1.00 2.12 O ATOM 1245 CB GLU A 84 18.428 0.695 -0.394 1.00 1.67 C ATOM 1246 CG GLU A 84 18.889 0.687 -1.829 1.00 1.99 C ATOM 1247 CD GLU A 84 18.618 1.986 -2.505 1.00 2.14 C ATOM 1248 OE1 GLU A 84 19.391 2.937 -2.303 1.00 2.25 O ATOM 1249 OE2 GLU A 84 17.634 2.092 -3.247 1.00 2.82 O ATOM 0 H GLU A 84 16.761 -1.302 -0.494 1.00 1.34 H new ATOM 0 HA GLU A 84 19.607 -0.989 0.216 1.00 1.64 H new ATOM 0 HB2 GLU A 84 17.382 0.999 -0.359 1.00 1.67 H new ATOM 0 HB3 GLU A 84 18.997 1.444 0.158 1.00 1.67 H new ATOM 0 HG2 GLU A 84 19.957 0.474 -1.866 1.00 1.99 H new ATOM 0 HG3 GLU A 84 18.385 -0.115 -2.368 1.00 1.99 H new ATOM 1256 N ALA A 85 17.448 -1.423 2.292 1.00 1.60 N ATOM 1257 CA ALA A 85 17.096 -1.413 3.707 1.00 1.87 C ATOM 1258 C ALA A 85 18.239 -2.001 4.523 1.00 2.41 C ATOM 1259 O ALA A 85 18.273 -1.910 5.745 1.00 2.97 O ATOM 1260 CB ALA A 85 15.803 -2.184 3.950 1.00 2.27 C ATOM 0 H ALA A 85 17.037 -2.189 1.759 1.00 1.60 H new ATOM 0 HA ALA A 85 16.931 -0.383 4.022 1.00 1.87 H new ATOM 0 HB1 ALA A 85 15.561 -2.163 5.013 1.00 2.27 H new ATOM 0 HB2 ALA A 85 14.993 -1.724 3.384 1.00 2.27 H new ATOM 0 HB3 ALA A 85 15.930 -3.217 3.627 1.00 2.27 H new ATOM 1266 N ALA A 86 19.163 -2.610 3.829 1.00 2.92 N ATOM 1267 CA ALA A 86 20.333 -3.178 4.421 1.00 3.83 C ATOM 1268 C ALA A 86 21.506 -2.828 3.537 1.00 4.59 C ATOM 1269 O ALA A 86 21.754 -3.543 2.543 1.00 5.16 O ATOM 1270 CB ALA A 86 20.185 -4.688 4.578 1.00 4.34 C ATOM 1271 OXT ALA A 86 22.148 -1.790 3.779 1.00 4.98 O ATOM 0 H ALA A 86 19.118 -2.725 2.816 1.00 2.92 H new ATOM 0 HA ALA A 86 20.488 -2.775 5.422 1.00 3.83 H new ATOM 0 HB1 ALA A 86 21.088 -5.097 5.031 1.00 4.34 H new ATOM 0 HB2 ALA A 86 19.329 -4.905 5.217 1.00 4.34 H new ATOM 0 HB3 ALA A 86 20.032 -5.142 3.599 1.00 4.34 H new TER 1277 ALA A 86 HETATM 1278 P24 SXH A 87 -6.905 13.216 2.289 1.00 1.09 P HETATM 1279 O26 SXH A 87 -7.348 13.879 0.943 1.00 1.22 O HETATM 1280 O23 SXH A 87 -7.766 13.466 3.561 1.00 1.42 O HETATM 1281 O27 SXH A 87 -5.465 13.713 2.619 1.00 1.10 O HETATM 1282 C28 SXH A 87 -4.800 13.144 3.806 1.00 1.13 C HETATM 1283 C29 SXH A 87 -3.532 13.918 4.210 1.00 1.27 C HETATM 1284 C30 SXH A 87 -2.825 13.074 5.253 1.00 1.36 C HETATM 1285 C31 SXH A 87 -2.611 14.092 2.993 1.00 1.28 C HETATM 1286 C32 SXH A 87 -3.949 15.366 4.772 1.00 1.57 C HETATM 1287 O33 SXH A 87 -4.317 16.207 3.681 1.00 1.62 O HETATM 1288 C34 SXH A 87 -2.791 16.094 5.445 1.00 1.82 C HETATM 1289 O35 SXH A 87 -2.180 16.969 4.819 1.00 2.00 O HETATM 1290 N36 SXH A 87 -2.518 15.779 6.690 1.00 1.99 N HETATM 1291 C37 SXH A 87 -1.451 16.405 7.497 1.00 2.29 C HETATM 1292 C38 SXH A 87 -0.782 15.444 8.493 1.00 2.49 C HETATM 1293 C39 SXH A 87 0.040 14.308 7.873 1.00 2.41 C HETATM 1294 O40 SXH A 87 0.373 13.320 8.543 1.00 2.91 O HETATM 1295 N41 SXH A 87 0.356 14.454 6.608 1.00 2.12 N HETATM 1296 C42 SXH A 87 1.120 13.488 5.831 1.00 2.36 C HETATM 1297 C43 SXH A 87 1.141 13.832 4.352 1.00 2.13 C HETATM 1298 S1 SXH A 87 1.658 12.470 3.423 1.00 1.95 S HETATM 1299 C1 SXH A 87 1.587 13.200 1.841 1.00 1.93 C HETATM 1300 O1 SXH A 87 1.467 14.422 1.636 1.00 2.69 O HETATM 1301 C2 SXH A 87 1.662 12.220 0.685 1.00 1.85 C HETATM 1302 C3 SXH A 87 0.435 12.276 -0.217 1.00 2.13 C HETATM 1303 C4 SXH A 87 -0.836 11.866 0.526 1.00 2.00 C HETATM 1304 C5 SXH A 87 -2.083 11.977 -0.354 1.00 2.32 C HETATM 1305 C6 SXH A 87 -1.971 11.055 -1.552 1.00 2.32 C HETATM 0 HO33 SXH A 87 -3.668 16.936 3.597 1.00 1.62 H new HETATM 0 HN41 SXH A 87 0.045 15.303 6.136 1.00 2.12 H new HETATM 0 HN36 SXH A 87 -3.082 15.052 7.130 1.00 1.99 H new HETATM 0 H43A SXH A 87 0.147 14.143 4.031 1.00 2.13 H new HETATM 0 H42A SXH A 87 2.142 13.448 6.208 1.00 2.36 H new HETATM 0 H38A SXH A 87 -0.131 16.024 9.147 1.00 2.49 H new HETATM 0 H37A SXH A 87 -0.690 16.807 6.828 1.00 2.29 H new HETATM 0 H31B SXH A 87 -2.325 13.112 2.610 1.00 1.28 H new HETATM 0 H31A SXH A 87 -3.136 14.647 2.216 1.00 1.28 H new HETATM 0 H30B SXH A 87 -3.482 12.929 6.110 1.00 1.36 H new HETATM 0 H30A SXH A 87 -2.569 12.105 4.824 1.00 1.36 H new HETATM 0 H28A SXH A 87 -5.500 13.141 4.642 1.00 1.13 H new HETATM 0 H6B SXH A 87 -1.096 11.329 -2.142 1.00 2.32 H new HETATM 0 H6A SXH A 87 -1.870 10.025 -1.210 1.00 2.32 H new HETATM 0 H6 SXH A 87 -2.866 11.147 -2.167 1.00 2.32 H new HETATM 0 H5A SXH A 87 -2.969 11.722 0.227 1.00 2.32 H new HETATM 0 H5 SXH A 87 -2.208 13.006 -0.690 1.00 2.32 H new HETATM 0 H4A SXH A 87 -0.733 10.840 0.879 1.00 2.00 H new HETATM 0 H43 SXH A 87 1.811 14.674 4.178 1.00 2.13 H new HETATM 0 H42 SXH A 87 0.691 12.495 5.966 1.00 2.36 H new HETATM 0 H4 SXH A 87 -0.958 12.496 1.407 1.00 2.00 H new HETATM 0 H3A SXH A 87 0.317 13.287 -0.608 1.00 2.13 H new HETATM 0 H38 SXH A 87 -1.557 15.005 9.122 1.00 2.49 H new HETATM 0 H37 SXH A 87 -1.871 17.248 8.046 1.00 2.29 H new HETATM 0 H32 SXH A 87 -4.755 15.189 5.485 1.00 1.57 H new HETATM 0 H31 SXH A 87 -1.717 14.641 3.289 1.00 1.28 H new HETATM 0 H30 SXH A 87 -1.915 13.580 5.575 1.00 1.36 H new HETATM 0 H3 SXH A 87 0.583 11.618 -1.073 1.00 2.13 H new HETATM 0 H2A SXH A 87 2.553 12.431 0.093 1.00 1.85 H new HETATM 0 H28 SXH A 87 -4.537 12.105 3.606 1.00 1.13 H new HETATM 0 H2 SXH A 87 1.773 11.209 1.078 1.00 1.85 H new