USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 539 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 30 CYS SG : rot -23:sc= 0.656 USER MOD Set 1.2: A 36 SER OG : rot 170:sc= 0.579 USER MOD Set 1.3: A 37 MET CE :methyl 151:sc= -1.84 (180deg=-4.92!) USER MOD Set 2.1: A 28 MET CE :methyl 166:sc= -0.475 (180deg=-0.507) USER MOD Set 2.2: A 45 CYS SG : rot 65:sc= -0.763! USER MOD Set 3.1: A 4 THR OG1 : rot 180:sc= -1.34 USER MOD Set 3.2: A 7 MET CE :methyl -176:sc= 0 (180deg=-0.021) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0882) USER MOD Single : A 2 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0208) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.0771 X(o=-0.077,f=-0.49) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -82:sc= -0.653! USER MOD Single : A 25 ASN : amide:sc= 0.116 K(o=0.12,f=-0.49) USER MOD Single : A 26 ASN : amide:sc= 0.0775 K(o=0.077,f=-0.43) USER MOD Single : A 29 HIS : no HD1:sc= -0.057 X(o=-0.057,f=-0.091) USER MOD Single : A 33 CYS SG : rot 120:sc= 0.00884 USER MOD Single : A 35 SER OG : rot -63:sc= 0.249 USER MOD Single : A 40 SER OG : rot -104:sc= 0.428 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= -0.0264 (180deg=-0.278) USER MOD Single : A 60 ASN : amide:sc= 0.445 K(o=0.45,f=-7.1!) USER MOD Single : A 62 TYR OH : rot 172:sc= 0.588 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.008 2.244 6.633 1.00 55.12 N ATOM 2 CA MET A 1 11.885 1.280 6.505 1.00 74.44 C ATOM 3 C MET A 1 11.553 1.004 5.032 1.00 35.13 C ATOM 4 O MET A 1 10.992 1.856 4.347 1.00 11.55 O ATOM 5 CB MET A 1 10.634 1.823 7.219 1.00 60.21 C ATOM 6 CG MET A 1 10.787 1.961 8.730 1.00 54.35 C ATOM 7 SD MET A 1 9.299 2.608 9.523 1.00 44.11 S ATOM 8 CE MET A 1 9.793 2.604 11.246 1.00 55.43 C ATOM 0 H1 MET A 1 13.310 2.295 7.627 1.00 55.12 H new ATOM 0 H2 MET A 1 13.805 1.928 6.045 1.00 55.12 H new ATOM 0 H3 MET A 1 12.696 3.185 6.317 1.00 55.12 H new ATOM 0 HA MET A 1 12.196 0.345 6.971 1.00 74.44 H new ATOM 0 HB2 MET A 1 10.385 2.798 6.800 1.00 60.21 H new ATOM 0 HB3 MET A 1 9.794 1.161 7.009 1.00 60.21 H new ATOM 0 HG2 MET A 1 11.028 0.988 9.157 1.00 54.35 H new ATOM 0 HG3 MET A 1 11.626 2.621 8.948 1.00 54.35 H new ATOM 0 HE1 MET A 1 8.974 2.979 11.860 1.00 55.43 H new ATOM 0 HE2 MET A 1 10.040 1.587 11.551 1.00 55.43 H new ATOM 0 HE3 MET A 1 10.666 3.244 11.376 1.00 55.43 H new ATOM 20 N LYS A 2 11.928 -0.178 4.540 1.00 0.43 N ATOM 21 CA LYS A 2 11.532 -0.615 3.195 1.00 12.14 C ATOM 22 C LYS A 2 10.285 -1.506 3.263 1.00 12.51 C ATOM 23 O LYS A 2 10.249 -2.485 4.009 1.00 35.41 O ATOM 24 CB LYS A 2 12.684 -1.357 2.501 1.00 13.35 C ATOM 25 CG LYS A 2 13.837 -0.451 2.066 1.00 33.32 C ATOM 26 CD LYS A 2 13.376 0.621 1.077 1.00 25.34 C ATOM 27 CE LYS A 2 14.546 1.393 0.469 1.00 12.33 C ATOM 28 NZ LYS A 2 15.387 2.053 1.503 1.00 2.41 N ATOM 0 H LYS A 2 12.503 -0.849 5.049 1.00 0.43 H new ATOM 0 HA LYS A 2 11.293 0.271 2.607 1.00 12.14 H new ATOM 0 HB2 LYS A 2 13.070 -2.120 3.177 1.00 13.35 H new ATOM 0 HB3 LYS A 2 12.293 -1.875 1.626 1.00 13.35 H new ATOM 0 HG2 LYS A 2 14.274 0.027 2.943 1.00 33.32 H new ATOM 0 HG3 LYS A 2 14.621 -1.055 1.608 1.00 33.32 H new ATOM 0 HD2 LYS A 2 12.800 0.152 0.279 1.00 25.34 H new ATOM 0 HD3 LYS A 2 12.709 1.318 1.585 1.00 25.34 H new ATOM 0 HE2 LYS A 2 15.163 0.711 -0.116 1.00 12.33 H new ATOM 0 HE3 LYS A 2 14.163 2.146 -0.219 1.00 12.33 H new ATOM 0 HZ1 LYS A 2 16.116 2.632 1.040 1.00 2.41 H new ATOM 0 HZ2 LYS A 2 14.790 2.660 2.100 1.00 2.41 H new ATOM 0 HZ3 LYS A 2 15.844 1.329 2.093 1.00 2.41 H new ATOM 42 N ILE A 3 9.268 -1.154 2.484 1.00 15.21 N ATOM 43 CA ILE A 3 7.989 -1.866 2.500 1.00 2.13 C ATOM 44 C ILE A 3 8.107 -3.265 1.874 1.00 40.21 C ATOM 45 O ILE A 3 8.781 -3.453 0.858 1.00 21.54 O ATOM 46 CB ILE A 3 6.902 -1.057 1.743 1.00 54.12 C ATOM 47 CG1 ILE A 3 6.765 0.353 2.345 1.00 62.35 C ATOM 48 CG2 ILE A 3 5.557 -1.788 1.768 1.00 24.31 C ATOM 49 CD1 ILE A 3 6.309 0.364 3.791 1.00 62.53 C ATOM 0 H ILE A 3 9.303 -0.374 1.828 1.00 15.21 H new ATOM 0 HA ILE A 3 7.700 -1.978 3.545 1.00 2.13 H new ATOM 0 HB ILE A 3 7.213 -0.961 0.703 1.00 54.12 H new ATOM 0 HG12 ILE A 3 7.726 0.862 2.274 1.00 62.35 H new ATOM 0 HG13 ILE A 3 6.056 0.925 1.747 1.00 62.35 H new ATOM 0 HG21 ILE A 3 4.813 -1.200 1.231 1.00 24.31 H new ATOM 0 HG22 ILE A 3 5.663 -2.762 1.290 1.00 24.31 H new ATOM 0 HG23 ILE A 3 5.236 -1.923 2.801 1.00 24.31 H new ATOM 0 HD11 ILE A 3 6.237 1.393 4.142 1.00 62.53 H new ATOM 0 HD12 ILE A 3 5.333 -0.115 3.868 1.00 62.53 H new ATOM 0 HD13 ILE A 3 7.029 -0.179 4.404 1.00 62.53 H new ATOM 61 N THR A 4 7.445 -4.246 2.486 1.00 70.22 N ATOM 62 CA THR A 4 7.422 -5.619 1.960 1.00 11.13 C ATOM 63 C THR A 4 5.982 -6.085 1.722 1.00 51.42 C ATOM 64 O THR A 4 5.056 -5.619 2.384 1.00 70.14 O ATOM 65 CB THR A 4 8.116 -6.624 2.917 1.00 32.53 C ATOM 66 OG1 THR A 4 7.397 -6.705 4.159 1.00 1.30 O ATOM 67 CG2 THR A 4 9.565 -6.220 3.183 1.00 14.31 C ATOM 0 H THR A 4 6.915 -4.120 3.348 1.00 70.22 H new ATOM 0 HA THR A 4 7.970 -5.598 1.018 1.00 11.13 H new ATOM 0 HB THR A 4 8.115 -7.602 2.435 1.00 32.53 H new ATOM 0 HG1 THR A 4 7.843 -7.343 4.754 1.00 1.30 H new ATOM 0 HG21 THR A 4 10.026 -6.942 3.857 1.00 14.31 H new ATOM 0 HG22 THR A 4 10.115 -6.198 2.242 1.00 14.31 H new ATOM 0 HG23 THR A 4 9.589 -5.231 3.640 1.00 14.31 H new ATOM 75 N LYS A 5 5.796 -7.013 0.784 1.00 3.43 N ATOM 76 CA LYS A 5 4.456 -7.536 0.457 1.00 44.41 C ATOM 77 C LYS A 5 3.817 -8.273 1.651 1.00 22.22 C ATOM 78 O LYS A 5 2.608 -8.524 1.668 1.00 74.44 O ATOM 79 CB LYS A 5 4.546 -8.456 -0.768 1.00 34.10 C ATOM 80 CG LYS A 5 5.626 -9.526 -0.654 1.00 45.24 C ATOM 81 CD LYS A 5 5.778 -10.325 -1.945 1.00 41.33 C ATOM 82 CE LYS A 5 7.008 -11.223 -1.900 1.00 52.44 C ATOM 83 NZ LYS A 5 7.153 -12.028 -3.139 1.00 43.32 N ATOM 0 H LYS A 5 6.551 -7.422 0.234 1.00 3.43 H new ATOM 0 HA LYS A 5 3.809 -6.690 0.225 1.00 44.41 H new ATOM 0 HB2 LYS A 5 3.581 -8.941 -0.919 1.00 34.10 H new ATOM 0 HB3 LYS A 5 4.740 -7.850 -1.653 1.00 34.10 H new ATOM 0 HG2 LYS A 5 6.577 -9.056 -0.405 1.00 45.24 H new ATOM 0 HG3 LYS A 5 5.381 -10.203 0.164 1.00 45.24 H new ATOM 0 HD2 LYS A 5 4.887 -10.933 -2.106 1.00 41.33 H new ATOM 0 HD3 LYS A 5 5.855 -9.642 -2.791 1.00 41.33 H new ATOM 0 HE2 LYS A 5 7.899 -10.611 -1.759 1.00 52.44 H new ATOM 0 HE3 LYS A 5 6.939 -11.890 -1.040 1.00 52.44 H new ATOM 0 HZ1 LYS A 5 8.002 -12.625 -3.068 1.00 43.32 H new ATOM 0 HZ2 LYS A 5 6.315 -12.631 -3.261 1.00 43.32 H new ATOM 0 HZ3 LYS A 5 7.244 -11.393 -3.957 1.00 43.32 H new ATOM 97 N ASP A 6 4.644 -8.608 2.640 1.00 40.12 N ATOM 98 CA ASP A 6 4.187 -9.254 3.875 1.00 14.04 C ATOM 99 C ASP A 6 3.419 -8.268 4.774 1.00 24.31 C ATOM 100 O ASP A 6 2.517 -8.656 5.523 1.00 32.02 O ATOM 101 CB ASP A 6 5.405 -9.808 4.630 1.00 73.04 C ATOM 102 CG ASP A 6 5.032 -10.519 5.920 1.00 44.22 C ATOM 103 OD1 ASP A 6 4.758 -11.738 5.871 1.00 33.25 O ATOM 104 OD2 ASP A 6 5.023 -9.864 6.985 1.00 32.12 O ATOM 0 H ASP A 6 5.650 -8.440 2.610 1.00 40.12 H new ATOM 0 HA ASP A 6 3.506 -10.064 3.613 1.00 14.04 H new ATOM 0 HB2 ASP A 6 5.943 -10.501 3.982 1.00 73.04 H new ATOM 0 HB3 ASP A 6 6.088 -8.989 4.857 1.00 73.04 H new ATOM 109 N MET A 7 3.781 -6.991 4.682 1.00 24.03 N ATOM 110 CA MET A 7 3.227 -5.953 5.558 1.00 60.04 C ATOM 111 C MET A 7 1.711 -5.761 5.368 1.00 75.53 C ATOM 112 O MET A 7 1.165 -5.982 4.283 1.00 53.11 O ATOM 113 CB MET A 7 3.961 -4.624 5.327 1.00 55.24 C ATOM 114 CG MET A 7 5.431 -4.663 5.722 1.00 22.31 C ATOM 115 SD MET A 7 6.287 -3.110 5.384 1.00 33.04 S ATOM 116 CE MET A 7 7.920 -3.482 6.019 1.00 51.00 C ATOM 0 H MET A 7 4.461 -6.645 4.005 1.00 24.03 H new ATOM 0 HA MET A 7 3.379 -6.286 6.585 1.00 60.04 H new ATOM 0 HB2 MET A 7 3.883 -4.354 4.274 1.00 55.24 H new ATOM 0 HB3 MET A 7 3.461 -3.839 5.895 1.00 55.24 H new ATOM 0 HG2 MET A 7 5.511 -4.893 6.784 1.00 22.31 H new ATOM 0 HG3 MET A 7 5.926 -5.470 5.183 1.00 22.31 H new ATOM 0 HE1 MET A 7 8.549 -2.595 5.948 1.00 51.00 H new ATOM 0 HE2 MET A 7 7.843 -3.790 7.062 1.00 51.00 H new ATOM 0 HE3 MET A 7 8.363 -4.288 5.434 1.00 51.00 H new ATOM 126 N ILE A 8 1.043 -5.349 6.442 1.00 10.04 N ATOM 127 CA ILE A 8 -0.398 -5.079 6.415 1.00 63.33 C ATOM 128 C ILE A 8 -0.694 -3.713 5.772 1.00 13.21 C ATOM 129 O ILE A 8 -0.026 -2.722 6.073 1.00 41.12 O ATOM 130 CB ILE A 8 -0.987 -5.107 7.851 1.00 51.10 C ATOM 131 CG1 ILE A 8 -0.701 -6.462 8.529 1.00 62.52 C ATOM 132 CG2 ILE A 8 -2.485 -4.817 7.835 1.00 1.14 C ATOM 133 CD1 ILE A 8 -1.294 -7.656 7.812 1.00 64.51 C ATOM 0 H ILE A 8 1.478 -5.193 7.351 1.00 10.04 H new ATOM 0 HA ILE A 8 -0.866 -5.860 5.816 1.00 63.33 H new ATOM 0 HB ILE A 8 -0.500 -4.323 8.431 1.00 51.10 H new ATOM 0 HG12 ILE A 8 0.378 -6.597 8.603 1.00 62.52 H new ATOM 0 HG13 ILE A 8 -1.090 -6.435 9.547 1.00 62.52 H new ATOM 0 HG21 ILE A 8 -2.872 -4.843 8.854 1.00 1.14 H new ATOM 0 HG22 ILE A 8 -2.660 -3.831 7.405 1.00 1.14 H new ATOM 0 HG23 ILE A 8 -2.995 -5.570 7.234 1.00 1.14 H new ATOM 0 HD11 ILE A 8 -1.045 -8.567 8.356 1.00 64.51 H new ATOM 0 HD12 ILE A 8 -2.377 -7.548 7.761 1.00 64.51 H new ATOM 0 HD13 ILE A 8 -0.887 -7.713 6.802 1.00 64.51 H new ATOM 145 N ILE A 9 -1.704 -3.658 4.898 1.00 41.33 N ATOM 146 CA ILE A 9 -2.059 -2.412 4.199 1.00 73.21 C ATOM 147 C ILE A 9 -2.313 -1.255 5.186 1.00 32.11 C ATOM 148 O ILE A 9 -1.772 -0.158 5.025 1.00 1.41 O ATOM 149 CB ILE A 9 -3.310 -2.607 3.302 1.00 1.43 C ATOM 150 CG1 ILE A 9 -3.047 -3.697 2.245 1.00 2.42 C ATOM 151 CG2 ILE A 9 -3.713 -1.291 2.632 1.00 40.21 C ATOM 152 CD1 ILE A 9 -4.214 -3.943 1.307 1.00 30.21 C ATOM 0 H ILE A 9 -2.290 -4.457 4.656 1.00 41.33 H new ATOM 0 HA ILE A 9 -1.206 -2.153 3.572 1.00 73.21 H new ATOM 0 HB ILE A 9 -4.137 -2.929 3.934 1.00 1.43 H new ATOM 0 HG12 ILE A 9 -2.174 -3.414 1.656 1.00 2.42 H new ATOM 0 HG13 ILE A 9 -2.800 -4.629 2.753 1.00 2.42 H new ATOM 0 HG21 ILE A 9 -4.592 -1.454 2.009 1.00 40.21 H new ATOM 0 HG22 ILE A 9 -3.943 -0.549 3.397 1.00 40.21 H new ATOM 0 HG23 ILE A 9 -2.891 -0.931 2.013 1.00 40.21 H new ATOM 0 HD11 ILE A 9 -3.949 -4.724 0.594 1.00 30.21 H new ATOM 0 HD12 ILE A 9 -5.084 -4.258 1.883 1.00 30.21 H new ATOM 0 HD13 ILE A 9 -4.448 -3.024 0.769 1.00 30.21 H new ATOM 164 N ALA A 10 -3.126 -1.511 6.212 1.00 32.54 N ATOM 165 CA ALA A 10 -3.414 -0.504 7.242 1.00 60.13 C ATOM 166 C ALA A 10 -2.137 -0.043 7.967 1.00 75.04 C ATOM 167 O ALA A 10 -2.021 1.118 8.363 1.00 43.41 O ATOM 168 CB ALA A 10 -4.423 -1.053 8.246 1.00 32.14 C ATOM 0 H ALA A 10 -3.597 -2.404 6.354 1.00 32.54 H new ATOM 0 HA ALA A 10 -3.839 0.366 6.743 1.00 60.13 H new ATOM 0 HB1 ALA A 10 -4.629 -0.298 9.005 1.00 32.14 H new ATOM 0 HB2 ALA A 10 -5.348 -1.310 7.729 1.00 32.14 H new ATOM 0 HB3 ALA A 10 -4.014 -1.944 8.722 1.00 32.14 H new ATOM 174 N ASP A 11 -1.179 -0.956 8.131 1.00 1.42 N ATOM 175 CA ASP A 11 0.088 -0.641 8.794 1.00 72.22 C ATOM 176 C ASP A 11 0.923 0.344 7.958 1.00 22.35 C ATOM 177 O ASP A 11 1.516 1.283 8.494 1.00 52.15 O ATOM 178 CB ASP A 11 0.874 -1.930 9.053 1.00 2.14 C ATOM 179 CG ASP A 11 2.174 -1.676 9.792 1.00 50.05 C ATOM 180 OD1 ASP A 11 2.123 -1.314 10.986 1.00 41.22 O ATOM 181 OD2 ASP A 11 3.252 -1.830 9.190 1.00 50.42 O ATOM 0 H ASP A 11 -1.256 -1.922 7.813 1.00 1.42 H new ATOM 0 HA ASP A 11 -0.132 -0.161 9.748 1.00 72.22 H new ATOM 0 HB2 ASP A 11 0.258 -2.618 9.633 1.00 2.14 H new ATOM 0 HB3 ASP A 11 1.089 -2.418 8.103 1.00 2.14 H new ATOM 186 N VAL A 12 0.954 0.131 6.641 1.00 51.44 N ATOM 187 CA VAL A 12 1.640 1.051 5.725 1.00 41.13 C ATOM 188 C VAL A 12 1.027 2.461 5.800 1.00 75.13 C ATOM 189 O VAL A 12 1.740 3.469 5.772 1.00 50.31 O ATOM 190 CB VAL A 12 1.583 0.538 4.261 1.00 63.44 C ATOM 191 CG1 VAL A 12 2.343 1.476 3.319 1.00 22.10 C ATOM 192 CG2 VAL A 12 2.128 -0.888 4.166 1.00 42.21 C ATOM 0 H VAL A 12 0.514 -0.668 6.184 1.00 51.44 H new ATOM 0 HA VAL A 12 2.683 1.098 6.038 1.00 41.13 H new ATOM 0 HB VAL A 12 0.539 0.525 3.949 1.00 63.44 H new ATOM 0 HG11 VAL A 12 2.287 1.092 2.300 1.00 22.10 H new ATOM 0 HG12 VAL A 12 1.897 2.470 3.358 1.00 22.10 H new ATOM 0 HG13 VAL A 12 3.387 1.534 3.628 1.00 22.10 H new ATOM 0 HG21 VAL A 12 2.079 -1.228 3.132 1.00 42.21 H new ATOM 0 HG22 VAL A 12 3.164 -0.905 4.505 1.00 42.21 H new ATOM 0 HG23 VAL A 12 1.530 -1.549 4.794 1.00 42.21 H new ATOM 202 N LEU A 13 -0.300 2.522 5.916 1.00 35.43 N ATOM 203 CA LEU A 13 -1.010 3.797 6.078 1.00 1.42 C ATOM 204 C LEU A 13 -0.596 4.513 7.377 1.00 3.43 C ATOM 205 O LEU A 13 -0.598 5.742 7.446 1.00 44.03 O ATOM 206 CB LEU A 13 -2.528 3.565 6.077 1.00 73.04 C ATOM 207 CG LEU A 13 -3.101 2.943 4.794 1.00 65.25 C ATOM 208 CD1 LEU A 13 -4.613 2.757 4.911 1.00 22.55 C ATOM 209 CD2 LEU A 13 -2.756 3.797 3.579 1.00 34.31 C ATOM 0 H LEU A 13 -0.908 1.703 5.901 1.00 35.43 H new ATOM 0 HA LEU A 13 -0.739 4.434 5.236 1.00 1.42 H new ATOM 0 HB2 LEU A 13 -2.780 2.918 6.917 1.00 73.04 H new ATOM 0 HB3 LEU A 13 -3.024 4.520 6.250 1.00 73.04 H new ATOM 0 HG LEU A 13 -2.646 1.961 4.661 1.00 65.25 H new ATOM 0 HD11 LEU A 13 -4.997 2.315 3.992 1.00 22.55 H new ATOM 0 HD12 LEU A 13 -4.835 2.098 5.750 1.00 22.55 H new ATOM 0 HD13 LEU A 13 -5.087 3.725 5.074 1.00 22.55 H new ATOM 0 HD21 LEU A 13 -3.171 3.338 2.682 1.00 34.31 H new ATOM 0 HD22 LEU A 13 -3.177 4.795 3.704 1.00 34.31 H new ATOM 0 HD23 LEU A 13 -1.673 3.870 3.481 1.00 34.31 H new ATOM 221 N GLN A 14 -0.245 3.736 8.404 1.00 14.44 N ATOM 222 CA GLN A 14 0.217 4.303 9.679 1.00 62.21 C ATOM 223 C GLN A 14 1.572 5.005 9.519 1.00 71.53 C ATOM 224 O GLN A 14 1.908 5.918 10.280 1.00 63.40 O ATOM 225 CB GLN A 14 0.315 3.211 10.750 1.00 71.12 C ATOM 226 CG GLN A 14 -1.004 2.494 10.993 1.00 42.51 C ATOM 227 CD GLN A 14 -2.103 3.413 11.498 1.00 10.13 C ATOM 228 OE1 GLN A 14 -1.854 4.387 12.202 1.00 71.41 O ATOM 229 NE2 GLN A 14 -3.332 3.120 11.124 1.00 52.31 N ATOM 0 H GLN A 14 -0.271 2.717 8.381 1.00 14.44 H new ATOM 0 HA GLN A 14 -0.516 5.045 9.995 1.00 62.21 H new ATOM 0 HB2 GLN A 14 1.068 2.482 10.450 1.00 71.12 H new ATOM 0 HB3 GLN A 14 0.657 3.656 11.684 1.00 71.12 H new ATOM 0 HG2 GLN A 14 -1.331 2.024 10.065 1.00 42.51 H new ATOM 0 HG3 GLN A 14 -0.847 1.695 11.717 1.00 42.51 H new ATOM 0 HE21 GLN A 14 -3.506 2.303 10.538 1.00 52.31 H new ATOM 0 HE22 GLN A 14 -4.110 3.710 11.420 1.00 52.31 H new ATOM 238 N MET A 15 2.355 4.559 8.538 1.00 53.13 N ATOM 239 CA MET A 15 3.638 5.195 8.216 1.00 71.52 C ATOM 240 C MET A 15 3.399 6.516 7.475 1.00 44.31 C ATOM 241 O MET A 15 3.977 7.552 7.809 1.00 5.31 O ATOM 242 CB MET A 15 4.498 4.265 7.350 1.00 73.55 C ATOM 243 CG MET A 15 4.496 2.818 7.819 1.00 42.23 C ATOM 244 SD MET A 15 5.579 1.767 6.828 1.00 73.01 S ATOM 245 CE MET A 15 5.273 0.159 7.557 1.00 63.23 C ATOM 0 H MET A 15 2.125 3.758 7.949 1.00 53.13 H new ATOM 0 HA MET A 15 4.166 5.395 9.148 1.00 71.52 H new ATOM 0 HB2 MET A 15 4.138 4.305 6.322 1.00 73.55 H new ATOM 0 HB3 MET A 15 5.524 4.634 7.344 1.00 73.55 H new ATOM 0 HG2 MET A 15 4.811 2.777 8.862 1.00 42.23 H new ATOM 0 HG3 MET A 15 3.479 2.428 7.777 1.00 42.23 H new ATOM 0 HE1 MET A 15 5.875 -0.593 7.046 1.00 63.23 H new ATOM 0 HE2 MET A 15 5.541 0.181 8.613 1.00 63.23 H new ATOM 0 HE3 MET A 15 4.217 -0.091 7.456 1.00 63.23 H new ATOM 255 N ASP A 16 2.541 6.461 6.457 1.00 54.13 N ATOM 256 CA ASP A 16 2.139 7.660 5.714 1.00 24.30 C ATOM 257 C ASP A 16 0.757 7.460 5.060 1.00 23.12 C ATOM 258 O ASP A 16 0.507 6.444 4.411 1.00 2.40 O ATOM 259 CB ASP A 16 3.188 8.006 4.648 1.00 33.11 C ATOM 260 CG ASP A 16 3.007 9.411 4.095 1.00 10.40 C ATOM 261 OD1 ASP A 16 2.101 9.621 3.270 1.00 53.11 O ATOM 262 OD2 ASP A 16 3.762 10.316 4.492 1.00 1.05 O ATOM 0 H ASP A 16 2.109 5.598 6.126 1.00 54.13 H new ATOM 0 HA ASP A 16 2.069 8.490 6.417 1.00 24.30 H new ATOM 0 HB2 ASP A 16 4.185 7.913 5.079 1.00 33.11 H new ATOM 0 HB3 ASP A 16 3.125 7.286 3.832 1.00 33.11 H new ATOM 267 N ARG A 17 -0.126 8.444 5.222 1.00 44.41 N ATOM 268 CA ARG A 17 -1.498 8.357 4.698 1.00 53.34 C ATOM 269 C ARG A 17 -1.524 8.437 3.160 1.00 52.54 C ATOM 270 O ARG A 17 -2.410 7.879 2.508 1.00 42.35 O ATOM 271 CB ARG A 17 -2.355 9.491 5.281 1.00 1.52 C ATOM 272 CG ARG A 17 -2.251 9.644 6.797 1.00 15.32 C ATOM 273 CD ARG A 17 -2.735 8.409 7.551 1.00 5.22 C ATOM 274 NE ARG A 17 -2.662 8.604 9.001 1.00 11.34 N ATOM 275 CZ ARG A 17 -3.310 7.890 9.881 1.00 43.23 C ATOM 276 NH1 ARG A 17 -4.071 6.910 9.518 1.00 43.22 N ATOM 277 NH2 ARG A 17 -3.201 8.167 11.139 1.00 11.33 N ATOM 0 H ARG A 17 0.080 9.314 5.712 1.00 44.41 H new ATOM 0 HA ARG A 17 -1.905 7.391 4.997 1.00 53.34 H new ATOM 0 HB2 ARG A 17 -2.061 10.430 4.812 1.00 1.52 H new ATOM 0 HB3 ARG A 17 -3.398 9.315 5.016 1.00 1.52 H new ATOM 0 HG2 ARG A 17 -1.214 9.846 7.067 1.00 15.32 H new ATOM 0 HG3 ARG A 17 -2.836 10.508 7.111 1.00 15.32 H new ATOM 0 HD2 ARG A 17 -3.762 8.185 7.264 1.00 5.22 H new ATOM 0 HD3 ARG A 17 -2.130 7.548 7.267 1.00 5.22 H new ATOM 0 HE ARG A 17 -2.061 9.352 9.348 1.00 11.34 H new ATOM 0 HH11 ARG A 17 -4.173 6.683 8.529 1.00 43.22 H new ATOM 0 HH12 ARG A 17 -4.569 6.364 10.221 1.00 43.22 H new ATOM 0 HH21 ARG A 17 -2.610 8.941 11.441 1.00 11.33 H new ATOM 0 HH22 ARG A 17 -3.706 7.611 11.829 1.00 11.33 H new ATOM 291 N GLY A 18 -0.532 9.123 2.592 1.00 32.41 N ATOM 292 CA GLY A 18 -0.460 9.323 1.145 1.00 74.45 C ATOM 293 C GLY A 18 -0.135 8.050 0.361 1.00 63.14 C ATOM 294 O GLY A 18 0.000 8.086 -0.862 1.00 52.41 O ATOM 0 H GLY A 18 0.234 9.550 3.113 1.00 32.41 H new ATOM 0 HA2 GLY A 18 -1.412 9.721 0.795 1.00 74.45 H new ATOM 0 HA3 GLY A 18 0.299 10.075 0.929 1.00 74.45 H new ATOM 298 N THR A 19 -0.002 6.928 1.062 1.00 55.44 N ATOM 299 CA THR A 19 0.214 5.629 0.411 1.00 75.33 C ATOM 300 C THR A 19 -1.111 5.011 -0.059 1.00 25.25 C ATOM 301 O THR A 19 -1.125 4.134 -0.926 1.00 13.03 O ATOM 302 CB THR A 19 0.926 4.631 1.354 1.00 24.23 C ATOM 303 OG1 THR A 19 0.133 4.416 2.532 1.00 45.23 O ATOM 304 CG2 THR A 19 2.308 5.140 1.748 1.00 24.40 C ATOM 0 H THR A 19 -0.039 6.887 2.080 1.00 55.44 H new ATOM 0 HA THR A 19 0.850 5.818 -0.454 1.00 75.33 H new ATOM 0 HB THR A 19 1.046 3.688 0.821 1.00 24.23 H new ATOM 0 HG1 THR A 19 0.290 5.144 3.169 1.00 45.23 H new ATOM 0 HG21 THR A 19 2.786 4.419 2.411 1.00 24.40 H new ATOM 0 HG22 THR A 19 2.917 5.269 0.853 1.00 24.40 H new ATOM 0 HG23 THR A 19 2.211 6.096 2.262 1.00 24.40 H new ATOM 312 N ALA A 20 -2.224 5.484 0.508 1.00 32.31 N ATOM 313 CA ALA A 20 -3.560 4.989 0.151 1.00 34.45 C ATOM 314 C ALA A 20 -3.839 5.070 -1.368 1.00 21.13 C ATOM 315 O ALA A 20 -4.242 4.073 -1.971 1.00 50.34 O ATOM 316 CB ALA A 20 -4.635 5.734 0.941 1.00 22.24 C ATOM 0 H ALA A 20 -2.228 6.214 1.221 1.00 32.31 H new ATOM 0 HA ALA A 20 -3.591 3.933 0.419 1.00 34.45 H new ATOM 0 HB1 ALA A 20 -5.619 5.355 0.664 1.00 22.24 H new ATOM 0 HB2 ALA A 20 -4.474 5.581 2.008 1.00 22.24 H new ATOM 0 HB3 ALA A 20 -4.580 6.799 0.715 1.00 22.24 H new ATOM 322 N PRO A 21 -3.631 6.245 -2.022 1.00 12.14 N ATOM 323 CA PRO A 21 -3.822 6.372 -3.483 1.00 61.14 C ATOM 324 C PRO A 21 -2.945 5.392 -4.281 1.00 54.52 C ATOM 325 O PRO A 21 -3.328 4.932 -5.360 1.00 61.20 O ATOM 326 CB PRO A 21 -3.429 7.831 -3.783 1.00 23.53 C ATOM 327 CG PRO A 21 -2.646 8.279 -2.592 1.00 35.53 C ATOM 328 CD PRO A 21 -3.213 7.528 -1.420 1.00 60.13 C ATOM 0 HA PRO A 21 -4.844 6.132 -3.777 1.00 61.14 H new ATOM 0 HB2 PRO A 21 -2.834 7.899 -4.694 1.00 23.53 H new ATOM 0 HB3 PRO A 21 -4.311 8.454 -3.931 1.00 23.53 H new ATOM 0 HG2 PRO A 21 -1.585 8.063 -2.718 1.00 35.53 H new ATOM 0 HG3 PRO A 21 -2.737 9.355 -2.447 1.00 35.53 H new ATOM 0 HD2 PRO A 21 -2.470 7.383 -0.635 1.00 60.13 H new ATOM 0 HD3 PRO A 21 -4.054 8.056 -0.970 1.00 60.13 H new ATOM 336 N ILE A 22 -1.773 5.068 -3.738 1.00 61.12 N ATOM 337 CA ILE A 22 -0.864 4.105 -4.369 1.00 22.24 C ATOM 338 C ILE A 22 -1.480 2.697 -4.383 1.00 54.33 C ATOM 339 O ILE A 22 -1.466 2.006 -5.409 1.00 3.11 O ATOM 340 CB ILE A 22 0.499 4.067 -3.636 1.00 71.32 C ATOM 341 CG1 ILE A 22 1.129 5.471 -3.621 1.00 14.52 C ATOM 342 CG2 ILE A 22 1.435 3.050 -4.291 1.00 51.31 C ATOM 343 CD1 ILE A 22 2.411 5.563 -2.819 1.00 72.20 C ATOM 0 H ILE A 22 -1.427 5.457 -2.861 1.00 61.12 H new ATOM 0 HA ILE A 22 -0.703 4.431 -5.396 1.00 22.24 H new ATOM 0 HB ILE A 22 0.336 3.753 -2.605 1.00 71.32 H new ATOM 0 HG12 ILE A 22 1.332 5.778 -4.647 1.00 14.52 H new ATOM 0 HG13 ILE A 22 0.406 6.178 -3.214 1.00 14.52 H new ATOM 0 HG21 ILE A 22 2.388 3.038 -3.761 1.00 51.31 H new ATOM 0 HG22 ILE A 22 0.983 2.059 -4.247 1.00 51.31 H new ATOM 0 HG23 ILE A 22 1.602 3.327 -5.332 1.00 51.31 H new ATOM 0 HD11 ILE A 22 2.792 6.584 -2.858 1.00 72.20 H new ATOM 0 HD12 ILE A 22 2.212 5.289 -1.783 1.00 72.20 H new ATOM 0 HD13 ILE A 22 3.152 4.883 -3.239 1.00 72.20 H new ATOM 355 N PHE A 23 -2.028 2.273 -3.242 1.00 64.25 N ATOM 356 CA PHE A 23 -2.797 1.024 -3.178 1.00 24.11 C ATOM 357 C PHE A 23 -3.969 1.069 -4.171 1.00 33.23 C ATOM 358 O PHE A 23 -4.199 0.124 -4.933 1.00 53.32 O ATOM 359 CB PHE A 23 -3.333 0.779 -1.757 1.00 43.12 C ATOM 360 CG PHE A 23 -2.274 0.412 -0.745 1.00 4.02 C ATOM 361 CD1 PHE A 23 -1.692 -0.849 -0.761 1.00 74.33 C ATOM 362 CD2 PHE A 23 -1.872 1.317 0.230 1.00 64.31 C ATOM 363 CE1 PHE A 23 -0.729 -1.195 0.167 1.00 33.23 C ATOM 364 CE2 PHE A 23 -0.910 0.974 1.162 1.00 55.11 C ATOM 365 CZ PHE A 23 -0.340 -0.284 1.131 1.00 35.40 C ATOM 0 H PHE A 23 -1.956 2.771 -2.355 1.00 64.25 H new ATOM 0 HA PHE A 23 -2.129 0.205 -3.444 1.00 24.11 H new ATOM 0 HB2 PHE A 23 -3.848 1.677 -1.416 1.00 43.12 H new ATOM 0 HB3 PHE A 23 -4.075 -0.019 -1.794 1.00 43.12 H new ATOM 0 HD1 PHE A 23 -1.996 -1.568 -1.508 1.00 74.33 H new ATOM 0 HD2 PHE A 23 -2.317 2.301 0.260 1.00 64.31 H new ATOM 0 HE1 PHE A 23 -0.280 -2.177 0.139 1.00 33.23 H new ATOM 0 HE2 PHE A 23 -0.605 1.688 1.913 1.00 55.11 H new ATOM 0 HZ PHE A 23 0.409 -0.556 1.860 1.00 35.40 H new ATOM 375 N ILE A 24 -4.698 2.185 -4.163 1.00 63.41 N ATOM 376 CA ILE A 24 -5.818 2.398 -5.086 1.00 31.34 C ATOM 377 C ILE A 24 -5.370 2.301 -6.555 1.00 23.00 C ATOM 378 O ILE A 24 -6.094 1.778 -7.404 1.00 45.52 O ATOM 379 CB ILE A 24 -6.484 3.779 -4.845 1.00 14.22 C ATOM 380 CG1 ILE A 24 -7.027 3.870 -3.410 1.00 71.43 C ATOM 381 CG2 ILE A 24 -7.601 4.032 -5.856 1.00 41.43 C ATOM 382 CD1 ILE A 24 -7.635 5.215 -3.071 1.00 75.43 C ATOM 0 H ILE A 24 -4.533 2.962 -3.523 1.00 63.41 H new ATOM 0 HA ILE A 24 -6.543 1.608 -4.889 1.00 31.34 H new ATOM 0 HB ILE A 24 -5.725 4.549 -4.980 1.00 14.22 H new ATOM 0 HG12 ILE A 24 -7.780 3.095 -3.266 1.00 71.43 H new ATOM 0 HG13 ILE A 24 -6.217 3.661 -2.711 1.00 71.43 H new ATOM 0 HG21 ILE A 24 -8.051 5.006 -5.665 1.00 41.43 H new ATOM 0 HG22 ILE A 24 -7.189 4.014 -6.865 1.00 41.43 H new ATOM 0 HG23 ILE A 24 -8.361 3.256 -5.760 1.00 41.43 H new ATOM 0 HD11 ILE A 24 -7.996 5.202 -2.043 1.00 75.43 H new ATOM 0 HD12 ILE A 24 -6.880 5.994 -3.181 1.00 75.43 H new ATOM 0 HD13 ILE A 24 -8.467 5.418 -3.745 1.00 75.43 H new ATOM 394 N ASN A 25 -4.164 2.789 -6.842 1.00 1.13 N ATOM 395 CA ASN A 25 -3.618 2.775 -8.207 1.00 64.24 C ATOM 396 C ASN A 25 -3.465 1.341 -8.740 1.00 0.34 C ATOM 397 O ASN A 25 -3.617 1.090 -9.935 1.00 5.25 O ATOM 398 CB ASN A 25 -2.256 3.482 -8.236 1.00 64.14 C ATOM 399 CG ASN A 25 -1.705 3.636 -9.643 1.00 21.44 C ATOM 400 OD1 ASN A 25 -2.452 3.833 -10.596 1.00 12.32 O ATOM 401 ND2 ASN A 25 -0.400 3.531 -9.793 1.00 3.52 N ATOM 0 H ASN A 25 -3.541 3.201 -6.148 1.00 1.13 H new ATOM 0 HA ASN A 25 -4.321 3.304 -8.850 1.00 64.24 H new ATOM 0 HB2 ASN A 25 -2.353 4.467 -7.778 1.00 64.14 H new ATOM 0 HB3 ASN A 25 -1.546 2.918 -7.632 1.00 64.14 H new ATOM 0 HD21 ASN A 25 0.015 3.614 -10.721 1.00 3.52 H new ATOM 0 HD22 ASN A 25 0.195 3.367 -8.981 1.00 3.52 H new ATOM 408 N ASN A 26 -3.165 0.407 -7.844 1.00 30.21 N ATOM 409 CA ASN A 26 -2.954 -0.992 -8.228 1.00 23.22 C ATOM 410 C ASN A 26 -4.233 -1.837 -8.078 1.00 2.52 C ATOM 411 O ASN A 26 -4.222 -3.035 -8.351 1.00 5.35 O ATOM 412 CB ASN A 26 -1.802 -1.591 -7.411 1.00 2.05 C ATOM 413 CG ASN A 26 -0.458 -0.994 -7.801 1.00 11.42 C ATOM 414 OD1 ASN A 26 0.235 -1.511 -8.670 1.00 74.32 O ATOM 415 ND2 ASN A 26 -0.083 0.106 -7.172 1.00 52.35 N ATOM 0 H ASN A 26 -3.062 0.589 -6.846 1.00 30.21 H new ATOM 0 HA ASN A 26 -2.689 -1.010 -9.285 1.00 23.22 H new ATOM 0 HB2 ASN A 26 -1.982 -1.418 -6.350 1.00 2.05 H new ATOM 0 HB3 ASN A 26 -1.776 -2.671 -7.558 1.00 2.05 H new ATOM 0 HD21 ASN A 26 0.806 0.549 -7.405 1.00 52.35 H new ATOM 0 HD22 ASN A 26 -0.682 0.512 -6.453 1.00 52.35 H new ATOM 422 N GLY A 27 -5.338 -1.215 -7.663 1.00 23.34 N ATOM 423 CA GLY A 27 -6.619 -1.926 -7.622 1.00 42.33 C ATOM 424 C GLY A 27 -7.179 -2.164 -6.218 1.00 14.24 C ATOM 425 O GLY A 27 -8.134 -2.921 -6.049 1.00 42.44 O ATOM 0 H GLY A 27 -5.375 -0.243 -7.357 1.00 23.34 H new ATOM 0 HA2 GLY A 27 -7.351 -1.360 -8.198 1.00 42.33 H new ATOM 0 HA3 GLY A 27 -6.499 -2.889 -8.118 1.00 42.33 H new ATOM 429 N MET A 28 -6.589 -1.541 -5.202 1.00 4.12 N ATOM 430 CA MET A 28 -7.119 -1.640 -3.835 1.00 52.44 C ATOM 431 C MET A 28 -8.193 -0.572 -3.570 1.00 21.31 C ATOM 432 O MET A 28 -8.241 0.460 -4.244 1.00 40.32 O ATOM 433 CB MET A 28 -5.987 -1.496 -2.817 1.00 33.54 C ATOM 434 CG MET A 28 -4.869 -2.510 -2.998 1.00 53.44 C ATOM 435 SD MET A 28 -5.433 -4.210 -2.799 1.00 54.45 S ATOM 436 CE MET A 28 -3.868 -5.083 -2.860 1.00 43.11 C ATOM 0 H MET A 28 -5.751 -0.966 -5.292 1.00 4.12 H new ATOM 0 HA MET A 28 -7.581 -2.622 -3.729 1.00 52.44 H new ATOM 0 HB2 MET A 28 -5.570 -0.492 -2.891 1.00 33.54 H new ATOM 0 HB3 MET A 28 -6.398 -1.598 -1.813 1.00 33.54 H new ATOM 0 HG2 MET A 28 -4.432 -2.390 -3.989 1.00 53.44 H new ATOM 0 HG3 MET A 28 -4.079 -2.307 -2.275 1.00 53.44 H new ATOM 0 HE1 MET A 28 -4.007 -6.105 -2.507 1.00 43.11 H new ATOM 0 HE2 MET A 28 -3.501 -5.100 -3.886 1.00 43.11 H new ATOM 0 HE3 MET A 28 -3.143 -4.575 -2.224 1.00 43.11 H new ATOM 446 N HIS A 29 -9.063 -0.832 -2.595 1.00 41.41 N ATOM 447 CA HIS A 29 -10.102 0.127 -2.200 1.00 33.13 C ATOM 448 C HIS A 29 -10.273 0.164 -0.673 1.00 13.25 C ATOM 449 O HIS A 29 -11.031 -0.618 -0.097 1.00 0.35 O ATOM 450 CB HIS A 29 -11.436 -0.223 -2.873 1.00 62.53 C ATOM 451 CG HIS A 29 -11.386 -0.148 -4.372 1.00 43.34 C ATOM 452 ND1 HIS A 29 -11.064 -1.225 -5.170 1.00 55.50 N ATOM 453 CD2 HIS A 29 -11.599 0.889 -5.216 1.00 22.43 C ATOM 454 CE1 HIS A 29 -11.081 -0.855 -6.435 1.00 22.14 C ATOM 455 NE2 HIS A 29 -11.403 0.420 -6.489 1.00 15.45 N ATOM 0 H HIS A 29 -9.071 -1.701 -2.061 1.00 41.41 H new ATOM 0 HA HIS A 29 -9.787 1.117 -2.530 1.00 33.13 H new ATOM 0 HB2 HIS A 29 -11.731 -1.230 -2.577 1.00 62.53 H new ATOM 0 HB3 HIS A 29 -12.207 0.455 -2.508 1.00 62.53 H new ATOM 0 HD2 HIS A 29 -11.872 1.896 -4.938 1.00 22.43 H new ATOM 0 HE1 HIS A 29 -10.867 -1.490 -7.282 1.00 22.14 H new ATOM 0 HE2 HIS A 29 -11.492 0.971 -7.342 1.00 15.45 H new ATOM 464 N CYS A 30 -9.569 1.085 -0.022 1.00 43.43 N ATOM 465 CA CYS A 30 -9.575 1.174 1.444 1.00 15.53 C ATOM 466 C CYS A 30 -10.711 2.073 1.961 1.00 11.43 C ATOM 467 O CYS A 30 -10.480 3.030 2.702 1.00 45.54 O ATOM 468 CB CYS A 30 -8.219 1.692 1.940 1.00 15.53 C ATOM 469 SG CYS A 30 -6.821 0.628 1.509 1.00 52.23 S ATOM 0 H CYS A 30 -8.985 1.783 -0.482 1.00 43.43 H new ATOM 0 HA CYS A 30 -9.749 0.173 1.838 1.00 15.53 H new ATOM 0 HB2 CYS A 30 -8.048 2.685 1.525 1.00 15.53 H new ATOM 0 HB3 CYS A 30 -8.258 1.802 3.024 1.00 15.53 H new ATOM 0 HG CYS A 30 -7.246 -0.582 1.298 1.00 52.23 H new ATOM 475 N LEU A 31 -11.947 1.741 1.590 1.00 0.03 N ATOM 476 CA LEU A 31 -13.128 2.486 2.036 1.00 70.20 C ATOM 477 C LEU A 31 -13.623 1.972 3.400 1.00 32.51 C ATOM 478 O LEU A 31 -14.824 1.943 3.667 1.00 71.34 O ATOM 479 CB LEU A 31 -14.244 2.362 0.985 1.00 42.33 C ATOM 480 CG LEU A 31 -14.068 3.212 -0.291 1.00 14.32 C ATOM 481 CD1 LEU A 31 -13.964 4.695 0.057 1.00 74.51 C ATOM 482 CD2 LEU A 31 -12.853 2.757 -1.096 1.00 64.34 C ATOM 0 H LEU A 31 -12.159 0.954 0.976 1.00 0.03 H new ATOM 0 HA LEU A 31 -12.854 3.535 2.151 1.00 70.20 H new ATOM 0 HB2 LEU A 31 -14.326 1.315 0.692 1.00 42.33 H new ATOM 0 HB3 LEU A 31 -15.189 2.637 1.453 1.00 42.33 H new ATOM 0 HG LEU A 31 -14.952 3.068 -0.913 1.00 14.32 H new ATOM 0 HD11 LEU A 31 -13.840 5.275 -0.857 1.00 74.51 H new ATOM 0 HD12 LEU A 31 -14.872 5.013 0.569 1.00 74.51 H new ATOM 0 HD13 LEU A 31 -13.105 4.857 0.708 1.00 74.51 H new ATOM 0 HD21 LEU A 31 -12.756 3.375 -1.989 1.00 64.34 H new ATOM 0 HD22 LEU A 31 -11.955 2.856 -0.486 1.00 64.34 H new ATOM 0 HD23 LEU A 31 -12.980 1.715 -1.388 1.00 64.34 H new ATOM 494 N GLY A 32 -12.685 1.602 4.272 1.00 0.34 N ATOM 495 CA GLY A 32 -13.037 0.997 5.556 1.00 15.33 C ATOM 496 C GLY A 32 -13.291 -0.505 5.451 1.00 55.20 C ATOM 497 O GLY A 32 -13.797 -1.126 6.388 1.00 60.43 O ATOM 0 H GLY A 32 -11.683 1.710 4.114 1.00 0.34 H new ATOM 0 HA2 GLY A 32 -12.233 1.176 6.270 1.00 15.33 H new ATOM 0 HA3 GLY A 32 -13.928 1.485 5.951 1.00 15.33 H new ATOM 501 N CYS A 33 -12.933 -1.083 4.306 1.00 54.12 N ATOM 502 CA CYS A 33 -13.112 -2.519 4.058 1.00 34.41 C ATOM 503 C CYS A 33 -12.131 -3.363 4.896 1.00 25.32 C ATOM 504 O CYS A 33 -10.914 -3.245 4.736 1.00 52.43 O ATOM 505 CB CYS A 33 -12.914 -2.820 2.568 1.00 63.31 C ATOM 506 SG CYS A 33 -13.948 -1.830 1.463 1.00 55.11 S ATOM 0 H CYS A 33 -12.513 -0.576 3.527 1.00 54.12 H new ATOM 0 HA CYS A 33 -14.126 -2.787 4.355 1.00 34.41 H new ATOM 0 HB2 CYS A 33 -11.867 -2.654 2.312 1.00 63.31 H new ATOM 0 HB3 CYS A 33 -13.122 -3.875 2.392 1.00 63.31 H new ATOM 0 HG CYS A 33 -13.191 -1.143 0.660 1.00 55.11 H new ATOM 512 N PRO A 34 -12.652 -4.240 5.782 1.00 15.43 N ATOM 513 CA PRO A 34 -11.826 -5.040 6.713 1.00 25.43 C ATOM 514 C PRO A 34 -10.625 -5.737 6.045 1.00 11.24 C ATOM 515 O PRO A 34 -9.480 -5.566 6.472 1.00 14.13 O ATOM 516 CB PRO A 34 -12.821 -6.076 7.253 1.00 23.33 C ATOM 517 CG PRO A 34 -14.144 -5.388 7.184 1.00 72.55 C ATOM 518 CD PRO A 34 -14.095 -4.524 5.950 1.00 11.30 C ATOM 0 HA PRO A 34 -11.368 -4.411 7.476 1.00 25.43 H new ATOM 0 HB2 PRO A 34 -12.814 -6.985 6.652 1.00 23.33 H new ATOM 0 HB3 PRO A 34 -12.577 -6.367 8.275 1.00 23.33 H new ATOM 0 HG2 PRO A 34 -14.958 -6.111 7.123 1.00 72.55 H new ATOM 0 HG3 PRO A 34 -14.319 -4.786 8.076 1.00 72.55 H new ATOM 0 HD2 PRO A 34 -14.506 -5.040 5.082 1.00 11.30 H new ATOM 0 HD3 PRO A 34 -14.672 -3.608 6.079 1.00 11.30 H new ATOM 526 N SER A 35 -10.889 -6.507 4.992 1.00 54.33 N ATOM 527 CA SER A 35 -9.833 -7.248 4.282 1.00 73.24 C ATOM 528 C SER A 35 -8.773 -6.308 3.700 1.00 51.32 C ATOM 529 O SER A 35 -7.577 -6.573 3.785 1.00 1.34 O ATOM 530 CB SER A 35 -10.436 -8.103 3.158 1.00 64.50 C ATOM 531 OG SER A 35 -11.383 -9.033 3.669 1.00 14.54 O ATOM 0 H SER A 35 -11.824 -6.638 4.606 1.00 54.33 H new ATOM 0 HA SER A 35 -9.349 -7.897 5.012 1.00 73.24 H new ATOM 0 HB2 SER A 35 -10.917 -7.456 2.424 1.00 64.50 H new ATOM 0 HB3 SER A 35 -9.641 -8.638 2.639 1.00 64.50 H new ATOM 0 HG SER A 35 -10.935 -9.654 4.280 1.00 14.54 H new ATOM 537 N SER A 36 -9.221 -5.196 3.121 1.00 53.15 N ATOM 538 CA SER A 36 -8.307 -4.212 2.524 1.00 14.40 C ATOM 539 C SER A 36 -7.511 -3.446 3.592 1.00 34.33 C ATOM 540 O SER A 36 -6.596 -2.689 3.267 1.00 74.15 O ATOM 541 CB SER A 36 -9.085 -3.212 1.658 1.00 1.03 C ATOM 542 OG SER A 36 -8.215 -2.266 1.051 1.00 42.00 O ATOM 0 H SER A 36 -10.208 -4.950 3.050 1.00 53.15 H new ATOM 0 HA SER A 36 -7.602 -4.767 1.904 1.00 14.40 H new ATOM 0 HB2 SER A 36 -9.637 -3.749 0.886 1.00 1.03 H new ATOM 0 HB3 SER A 36 -9.820 -2.691 2.272 1.00 1.03 H new ATOM 0 HG SER A 36 -8.711 -1.746 0.384 1.00 42.00 H new ATOM 548 N MET A 37 -7.873 -3.628 4.861 1.00 62.02 N ATOM 549 CA MET A 37 -7.188 -2.949 5.969 1.00 42.45 C ATOM 550 C MET A 37 -6.256 -3.890 6.755 1.00 44.15 C ATOM 551 O MET A 37 -5.034 -3.737 6.716 1.00 2.13 O ATOM 552 CB MET A 37 -8.221 -2.328 6.923 1.00 73.50 C ATOM 553 CG MET A 37 -9.131 -1.280 6.284 1.00 34.02 C ATOM 554 SD MET A 37 -8.422 0.386 6.244 1.00 3.11 S ATOM 555 CE MET A 37 -7.103 0.227 5.040 1.00 40.11 C ATOM 0 H MET A 37 -8.636 -4.239 5.151 1.00 62.02 H new ATOM 0 HA MET A 37 -6.566 -2.169 5.530 1.00 42.45 H new ATOM 0 HB2 MET A 37 -8.840 -3.125 7.335 1.00 73.50 H new ATOM 0 HB3 MET A 37 -7.693 -1.870 7.760 1.00 73.50 H new ATOM 0 HG2 MET A 37 -9.364 -1.589 5.265 1.00 34.02 H new ATOM 0 HG3 MET A 37 -10.073 -1.250 6.831 1.00 34.02 H new ATOM 0 HE1 MET A 37 -6.941 1.186 4.549 1.00 40.11 H new ATOM 0 HE2 MET A 37 -6.187 -0.082 5.543 1.00 40.11 H new ATOM 0 HE3 MET A 37 -7.378 -0.520 4.295 1.00 40.11 H new ATOM 565 N GLY A 38 -6.838 -4.865 7.456 1.00 73.03 N ATOM 566 CA GLY A 38 -6.073 -5.684 8.402 1.00 73.32 C ATOM 567 C GLY A 38 -5.337 -6.872 7.780 1.00 32.00 C ATOM 568 O GLY A 38 -4.718 -7.665 8.499 1.00 62.55 O ATOM 0 H GLY A 38 -7.827 -5.106 7.389 1.00 73.03 H new ATOM 0 HA2 GLY A 38 -5.345 -5.047 8.904 1.00 73.32 H new ATOM 0 HA3 GLY A 38 -6.752 -6.057 9.168 1.00 73.32 H new ATOM 572 N GLU A 39 -5.402 -7.014 6.459 1.00 34.11 N ATOM 573 CA GLU A 39 -4.732 -8.122 5.772 1.00 72.43 C ATOM 574 C GLU A 39 -3.521 -7.644 4.938 1.00 44.45 C ATOM 575 O GLU A 39 -3.430 -6.474 4.553 1.00 73.53 O ATOM 576 CB GLU A 39 -5.760 -8.885 4.920 1.00 32.24 C ATOM 577 CG GLU A 39 -6.962 -9.353 5.748 1.00 24.33 C ATOM 578 CD GLU A 39 -7.856 -10.365 5.043 1.00 4.33 C ATOM 579 OE1 GLU A 39 -7.326 -11.285 4.392 1.00 34.12 O ATOM 580 OE2 GLU A 39 -9.100 -10.267 5.168 1.00 21.32 O ATOM 0 H GLU A 39 -5.909 -6.380 5.842 1.00 34.11 H new ATOM 0 HA GLU A 39 -4.323 -8.802 6.519 1.00 72.43 H new ATOM 0 HB2 GLU A 39 -6.106 -8.243 4.110 1.00 32.24 H new ATOM 0 HB3 GLU A 39 -5.279 -9.748 4.460 1.00 32.24 H new ATOM 0 HG2 GLU A 39 -6.599 -9.792 6.677 1.00 24.33 H new ATOM 0 HG3 GLU A 39 -7.561 -8.484 6.019 1.00 24.33 H new ATOM 587 N SER A 40 -2.582 -8.564 4.688 1.00 41.01 N ATOM 588 CA SER A 40 -1.287 -8.236 4.058 1.00 60.42 C ATOM 589 C SER A 40 -1.429 -7.794 2.596 1.00 55.22 C ATOM 590 O SER A 40 -2.390 -8.148 1.916 1.00 42.45 O ATOM 591 CB SER A 40 -0.342 -9.446 4.125 1.00 73.02 C ATOM 592 OG SER A 40 -0.159 -9.884 5.460 1.00 0.12 O ATOM 0 H SER A 40 -2.692 -9.553 4.913 1.00 41.01 H new ATOM 0 HA SER A 40 -0.875 -7.397 4.619 1.00 60.42 H new ATOM 0 HB2 SER A 40 -0.748 -10.261 3.525 1.00 73.02 H new ATOM 0 HB3 SER A 40 0.622 -9.181 3.692 1.00 73.02 H new ATOM 0 HG SER A 40 0.722 -9.599 5.780 1.00 0.12 H new ATOM 598 N ILE A 41 -0.442 -7.035 2.116 1.00 63.45 N ATOM 599 CA ILE A 41 -0.431 -6.534 0.738 1.00 25.44 C ATOM 600 C ILE A 41 -0.567 -7.662 -0.304 1.00 72.50 C ATOM 601 O ILE A 41 -1.524 -7.682 -1.078 1.00 4.31 O ATOM 602 CB ILE A 41 0.867 -5.736 0.484 1.00 44.13 C ATOM 603 CG1 ILE A 41 0.927 -4.529 1.438 1.00 32.20 C ATOM 604 CG2 ILE A 41 0.964 -5.285 -0.974 1.00 15.42 C ATOM 605 CD1 ILE A 41 2.331 -4.086 1.760 1.00 2.20 C ATOM 0 H ILE A 41 0.368 -6.751 2.667 1.00 63.45 H new ATOM 0 HA ILE A 41 -1.299 -5.885 0.622 1.00 25.44 H new ATOM 0 HB ILE A 41 1.720 -6.386 0.680 1.00 44.13 H new ATOM 0 HG12 ILE A 41 0.385 -3.696 0.991 1.00 32.20 H new ATOM 0 HG13 ILE A 41 0.413 -4.783 2.365 1.00 32.20 H new ATOM 0 HG21 ILE A 41 1.888 -4.726 -1.121 1.00 15.42 H new ATOM 0 HG22 ILE A 41 0.960 -6.158 -1.626 1.00 15.42 H new ATOM 0 HG23 ILE A 41 0.113 -4.649 -1.215 1.00 15.42 H new ATOM 0 HD11 ILE A 41 2.297 -3.232 2.437 1.00 2.20 H new ATOM 0 HD12 ILE A 41 2.871 -4.905 2.236 1.00 2.20 H new ATOM 0 HD13 ILE A 41 2.842 -3.800 0.841 1.00 2.20 H new ATOM 617 N GLU A 42 0.377 -8.608 -0.314 1.00 31.44 N ATOM 618 CA GLU A 42 0.361 -9.696 -1.309 1.00 60.42 C ATOM 619 C GLU A 42 -0.900 -10.566 -1.185 1.00 73.53 C ATOM 620 O GLU A 42 -1.441 -11.043 -2.186 1.00 63.42 O ATOM 621 CB GLU A 42 1.610 -10.579 -1.183 1.00 11.32 C ATOM 622 CG GLU A 42 1.728 -11.312 0.148 1.00 72.42 C ATOM 623 CD GLU A 42 2.899 -12.278 0.179 1.00 44.23 C ATOM 624 OE1 GLU A 42 2.807 -13.346 -0.462 1.00 12.31 O ATOM 625 OE2 GLU A 42 3.910 -11.980 0.842 1.00 22.15 O ATOM 0 H GLU A 42 1.155 -8.647 0.345 1.00 31.44 H new ATOM 0 HA GLU A 42 0.356 -9.223 -2.291 1.00 60.42 H new ATOM 0 HB2 GLU A 42 1.605 -11.313 -1.989 1.00 11.32 H new ATOM 0 HB3 GLU A 42 2.495 -9.958 -1.322 1.00 11.32 H new ATOM 0 HG2 GLU A 42 1.841 -10.584 0.951 1.00 72.42 H new ATOM 0 HG3 GLU A 42 0.805 -11.859 0.341 1.00 72.42 H new ATOM 632 N ASP A 43 -1.358 -10.772 0.046 1.00 41.12 N ATOM 633 CA ASP A 43 -2.561 -11.566 0.301 1.00 53.35 C ATOM 634 C ASP A 43 -3.810 -10.876 -0.283 1.00 44.33 C ATOM 635 O ASP A 43 -4.601 -11.497 -0.995 1.00 2.14 O ATOM 636 CB ASP A 43 -2.708 -11.800 1.809 1.00 52.54 C ATOM 637 CG ASP A 43 -3.858 -12.730 2.152 1.00 3.42 C ATOM 638 OD1 ASP A 43 -3.835 -13.902 1.724 1.00 15.24 O ATOM 639 OD2 ASP A 43 -4.788 -12.295 2.852 1.00 45.24 O ATOM 0 H ASP A 43 -0.915 -10.400 0.886 1.00 41.12 H new ATOM 0 HA ASP A 43 -2.464 -12.531 -0.196 1.00 53.35 H new ATOM 0 HB2 ASP A 43 -1.780 -12.218 2.199 1.00 52.54 H new ATOM 0 HB3 ASP A 43 -2.860 -10.843 2.307 1.00 52.54 H new ATOM 644 N ALA A 44 -3.960 -9.583 0.002 1.00 30.11 N ATOM 645 CA ALA A 44 -5.057 -8.783 -0.555 1.00 41.32 C ATOM 646 C ALA A 44 -4.961 -8.682 -2.086 1.00 54.54 C ATOM 647 O ALA A 44 -5.976 -8.638 -2.786 1.00 13.31 O ATOM 648 CB ALA A 44 -5.061 -7.392 0.067 1.00 61.52 C ATOM 0 H ALA A 44 -3.335 -9.063 0.617 1.00 30.11 H new ATOM 0 HA ALA A 44 -5.993 -9.286 -0.314 1.00 41.32 H new ATOM 0 HB1 ALA A 44 -5.879 -6.808 -0.354 1.00 61.52 H new ATOM 0 HB2 ALA A 44 -5.193 -7.476 1.146 1.00 61.52 H new ATOM 0 HB3 ALA A 44 -4.114 -6.896 -0.145 1.00 61.52 H new ATOM 654 N CYS A 45 -3.729 -8.643 -2.604 1.00 34.15 N ATOM 655 CA CYS A 45 -3.498 -8.627 -4.057 1.00 4.31 C ATOM 656 C CYS A 45 -4.106 -9.863 -4.729 1.00 43.32 C ATOM 657 O CYS A 45 -4.764 -9.758 -5.764 1.00 73.31 O ATOM 658 CB CYS A 45 -1.997 -8.555 -4.368 1.00 60.33 C ATOM 659 SG CYS A 45 -1.204 -7.011 -3.863 1.00 20.24 S ATOM 0 H CYS A 45 -2.877 -8.622 -2.043 1.00 34.15 H new ATOM 0 HA CYS A 45 -3.987 -7.739 -4.456 1.00 4.31 H new ATOM 0 HB2 CYS A 45 -1.495 -9.386 -3.872 1.00 60.33 H new ATOM 0 HB3 CYS A 45 -1.853 -8.689 -5.440 1.00 60.33 H new ATOM 0 HG CYS A 45 -1.240 -6.908 -2.568 1.00 20.24 H new ATOM 665 N ALA A 46 -3.895 -11.032 -4.123 1.00 2.45 N ATOM 666 CA ALA A 46 -4.434 -12.295 -4.649 1.00 73.51 C ATOM 667 C ALA A 46 -5.956 -12.230 -4.856 1.00 65.14 C ATOM 668 O ALA A 46 -6.489 -12.814 -5.802 1.00 71.44 O ATOM 669 CB ALA A 46 -4.079 -13.446 -3.717 1.00 62.22 C ATOM 0 H ALA A 46 -3.353 -11.135 -3.265 1.00 2.45 H new ATOM 0 HA ALA A 46 -3.978 -12.465 -5.624 1.00 73.51 H new ATOM 0 HB1 ALA A 46 -4.483 -14.376 -4.117 1.00 62.22 H new ATOM 0 HB2 ALA A 46 -2.995 -13.527 -3.635 1.00 62.22 H new ATOM 0 HB3 ALA A 46 -4.504 -13.260 -2.731 1.00 62.22 H new ATOM 675 N VAL A 47 -6.646 -11.500 -3.979 1.00 22.44 N ATOM 676 CA VAL A 47 -8.105 -11.353 -4.060 1.00 53.24 C ATOM 677 C VAL A 47 -8.551 -10.815 -5.433 1.00 42.34 C ATOM 678 O VAL A 47 -9.529 -11.291 -6.006 1.00 42.53 O ATOM 679 CB VAL A 47 -8.641 -10.423 -2.941 1.00 23.13 C ATOM 680 CG1 VAL A 47 -10.163 -10.298 -3.011 1.00 44.04 C ATOM 681 CG2 VAL A 47 -8.203 -10.928 -1.568 1.00 73.45 C ATOM 0 H VAL A 47 -6.219 -10.998 -3.200 1.00 22.44 H new ATOM 0 HA VAL A 47 -8.526 -12.350 -3.926 1.00 53.24 H new ATOM 0 HB VAL A 47 -8.217 -9.431 -3.095 1.00 23.13 H new ATOM 0 HG11 VAL A 47 -10.511 -9.640 -2.215 1.00 44.04 H new ATOM 0 HG12 VAL A 47 -10.450 -9.882 -3.977 1.00 44.04 H new ATOM 0 HG13 VAL A 47 -10.615 -11.283 -2.892 1.00 44.04 H new ATOM 0 HG21 VAL A 47 -8.589 -10.263 -0.796 1.00 73.45 H new ATOM 0 HG22 VAL A 47 -8.593 -11.933 -1.409 1.00 73.45 H new ATOM 0 HG23 VAL A 47 -7.114 -10.949 -1.518 1.00 73.45 H new ATOM 691 N HIS A 48 -7.818 -9.834 -5.962 1.00 40.42 N ATOM 692 CA HIS A 48 -8.120 -9.257 -7.284 1.00 32.31 C ATOM 693 C HIS A 48 -7.028 -9.591 -8.319 1.00 64.41 C ATOM 694 O HIS A 48 -6.948 -8.955 -9.368 1.00 41.33 O ATOM 695 CB HIS A 48 -8.282 -7.733 -7.174 1.00 51.20 C ATOM 696 CG HIS A 48 -9.547 -7.303 -6.496 1.00 55.24 C ATOM 697 ND1 HIS A 48 -10.682 -6.940 -7.188 1.00 71.14 N ATOM 698 CD2 HIS A 48 -9.853 -7.159 -5.182 1.00 10.42 C ATOM 699 CE1 HIS A 48 -11.624 -6.592 -6.338 1.00 65.44 C ATOM 700 NE2 HIS A 48 -11.150 -6.716 -5.115 1.00 11.44 N ATOM 0 H HIS A 48 -7.009 -9.419 -5.499 1.00 40.42 H new ATOM 0 HA HIS A 48 -9.054 -9.701 -7.628 1.00 32.31 H new ATOM 0 HB2 HIS A 48 -7.432 -7.326 -6.627 1.00 51.20 H new ATOM 0 HB3 HIS A 48 -8.253 -7.301 -8.175 1.00 51.20 H new ATOM 0 HD2 HIS A 48 -9.199 -7.356 -4.346 1.00 10.42 H new ATOM 0 HE1 HIS A 48 -12.618 -6.261 -6.599 1.00 65.44 H new ATOM 0 HE2 HIS A 48 -11.664 -6.515 -4.257 1.00 11.44 H new ATOM 709 N GLY A 49 -6.198 -10.592 -8.020 1.00 72.21 N ATOM 710 CA GLY A 49 -5.134 -10.993 -8.941 1.00 53.21 C ATOM 711 C GLY A 49 -4.104 -9.893 -9.210 1.00 11.43 C ATOM 712 O GLY A 49 -3.415 -9.914 -10.232 1.00 74.41 O ATOM 0 H GLY A 49 -6.241 -11.134 -7.157 1.00 72.21 H new ATOM 0 HA2 GLY A 49 -4.623 -11.865 -8.533 1.00 53.21 H new ATOM 0 HA3 GLY A 49 -5.581 -11.299 -9.887 1.00 53.21 H new ATOM 716 N ILE A 50 -3.993 -8.941 -8.285 1.00 21.20 N ATOM 717 CA ILE A 50 -3.067 -7.808 -8.423 1.00 71.43 C ATOM 718 C ILE A 50 -1.603 -8.250 -8.266 1.00 43.54 C ATOM 719 O ILE A 50 -1.304 -9.209 -7.550 1.00 1.34 O ATOM 720 CB ILE A 50 -3.368 -6.719 -7.362 1.00 55.44 C ATOM 721 CG1 ILE A 50 -4.858 -6.335 -7.389 1.00 11.01 C ATOM 722 CG2 ILE A 50 -2.484 -5.487 -7.574 1.00 2.24 C ATOM 723 CD1 ILE A 50 -5.263 -5.350 -6.311 1.00 43.25 C ATOM 0 H ILE A 50 -4.537 -8.929 -7.422 1.00 21.20 H new ATOM 0 HA ILE A 50 -3.213 -7.403 -9.425 1.00 71.43 H new ATOM 0 HB ILE A 50 -3.138 -7.130 -6.379 1.00 55.44 H new ATOM 0 HG12 ILE A 50 -5.094 -5.908 -8.364 1.00 11.01 H new ATOM 0 HG13 ILE A 50 -5.457 -7.239 -7.283 1.00 11.01 H new ATOM 0 HG21 ILE A 50 -2.715 -4.738 -6.816 1.00 2.24 H new ATOM 0 HG22 ILE A 50 -1.435 -5.773 -7.493 1.00 2.24 H new ATOM 0 HG23 ILE A 50 -2.671 -5.071 -8.564 1.00 2.24 H new ATOM 0 HD11 ILE A 50 -6.327 -5.131 -6.399 1.00 43.25 H new ATOM 0 HD12 ILE A 50 -5.061 -5.781 -5.330 1.00 43.25 H new ATOM 0 HD13 ILE A 50 -4.693 -4.428 -6.427 1.00 43.25 H new ATOM 735 N ASP A 51 -0.696 -7.544 -8.932 1.00 25.35 N ATOM 736 CA ASP A 51 0.739 -7.795 -8.784 1.00 52.10 C ATOM 737 C ASP A 51 1.292 -7.019 -7.578 1.00 54.31 C ATOM 738 O ASP A 51 1.417 -5.792 -7.612 1.00 54.33 O ATOM 739 CB ASP A 51 1.490 -7.397 -10.058 1.00 34.54 C ATOM 740 CG ASP A 51 2.939 -7.850 -10.025 1.00 31.31 C ATOM 741 OD1 ASP A 51 3.786 -7.121 -9.479 1.00 1.02 O ATOM 742 OD2 ASP A 51 3.234 -8.947 -10.539 1.00 11.02 O ATOM 0 H ASP A 51 -0.926 -6.792 -9.581 1.00 25.35 H new ATOM 0 HA ASP A 51 0.887 -8.862 -8.615 1.00 52.10 H new ATOM 0 HB2 ASP A 51 0.993 -7.834 -10.924 1.00 34.54 H new ATOM 0 HB3 ASP A 51 1.451 -6.315 -10.180 1.00 34.54 H new ATOM 747 N ALA A 52 1.622 -7.741 -6.512 1.00 11.44 N ATOM 748 CA ALA A 52 2.091 -7.112 -5.276 1.00 40.41 C ATOM 749 C ALA A 52 3.532 -6.613 -5.399 1.00 73.22 C ATOM 750 O ALA A 52 3.934 -5.683 -4.700 1.00 50.50 O ATOM 751 CB ALA A 52 1.964 -8.088 -4.110 1.00 34.42 C ATOM 0 H ALA A 52 1.575 -8.759 -6.476 1.00 11.44 H new ATOM 0 HA ALA A 52 1.461 -6.242 -5.088 1.00 40.41 H new ATOM 0 HB1 ALA A 52 2.316 -7.610 -3.196 1.00 34.42 H new ATOM 0 HB2 ALA A 52 0.920 -8.378 -3.990 1.00 34.42 H new ATOM 0 HB3 ALA A 52 2.566 -8.975 -4.310 1.00 34.42 H new ATOM 757 N ASP A 53 4.301 -7.218 -6.297 1.00 2.23 N ATOM 758 CA ASP A 53 5.701 -6.839 -6.489 1.00 54.50 C ATOM 759 C ASP A 53 5.809 -5.368 -6.927 1.00 24.25 C ATOM 760 O ASP A 53 6.583 -4.592 -6.362 1.00 74.35 O ATOM 761 CB ASP A 53 6.355 -7.759 -7.527 1.00 13.13 C ATOM 762 CG ASP A 53 7.868 -7.645 -7.530 1.00 51.20 C ATOM 763 OD1 ASP A 53 8.524 -8.374 -6.755 1.00 51.30 O ATOM 764 OD2 ASP A 53 8.415 -6.837 -8.305 1.00 23.21 O ATOM 0 H ASP A 53 3.982 -7.973 -6.904 1.00 2.23 H new ATOM 0 HA ASP A 53 6.227 -6.950 -5.541 1.00 54.50 H new ATOM 0 HB2 ASP A 53 6.072 -8.792 -7.323 1.00 13.13 H new ATOM 0 HB3 ASP A 53 5.973 -7.514 -8.518 1.00 13.13 H new ATOM 769 N LYS A 54 5.002 -4.990 -7.917 1.00 21.12 N ATOM 770 CA LYS A 54 4.994 -3.617 -8.439 1.00 52.23 C ATOM 771 C LYS A 54 4.335 -2.639 -7.453 1.00 21.23 C ATOM 772 O LYS A 54 4.807 -1.512 -7.276 1.00 10.01 O ATOM 773 CB LYS A 54 4.273 -3.576 -9.793 1.00 13.31 C ATOM 774 CG LYS A 54 4.928 -4.460 -10.851 1.00 23.51 C ATOM 775 CD LYS A 54 4.137 -4.478 -12.155 1.00 43.00 C ATOM 776 CE LYS A 54 4.037 -3.092 -12.779 1.00 64.20 C ATOM 777 NZ LYS A 54 3.352 -3.123 -14.095 1.00 60.12 N ATOM 0 H LYS A 54 4.341 -5.616 -8.378 1.00 21.12 H new ATOM 0 HA LYS A 54 6.029 -3.302 -8.572 1.00 52.23 H new ATOM 0 HB2 LYS A 54 3.238 -3.891 -9.656 1.00 13.31 H new ATOM 0 HB3 LYS A 54 4.248 -2.547 -10.153 1.00 13.31 H new ATOM 0 HG2 LYS A 54 5.939 -4.102 -11.046 1.00 23.51 H new ATOM 0 HG3 LYS A 54 5.018 -5.477 -10.468 1.00 23.51 H new ATOM 0 HD2 LYS A 54 4.614 -5.159 -12.859 1.00 43.00 H new ATOM 0 HD3 LYS A 54 3.135 -4.864 -11.966 1.00 43.00 H new ATOM 0 HE2 LYS A 54 3.496 -2.429 -12.104 1.00 64.20 H new ATOM 0 HE3 LYS A 54 5.037 -2.676 -12.901 1.00 64.20 H new ATOM 0 HZ1 LYS A 54 3.305 -2.160 -14.485 1.00 60.12 H new ATOM 0 HZ2 LYS A 54 3.882 -3.735 -14.748 1.00 60.12 H new ATOM 0 HZ3 LYS A 54 2.388 -3.496 -13.976 1.00 60.12 H new ATOM 791 N LEU A 55 3.249 -3.073 -6.809 1.00 61.31 N ATOM 792 CA LEU A 55 2.578 -2.259 -5.788 1.00 31.24 C ATOM 793 C LEU A 55 3.551 -1.871 -4.663 1.00 42.34 C ATOM 794 O LEU A 55 3.673 -0.697 -4.303 1.00 75.30 O ATOM 795 CB LEU A 55 1.368 -3.022 -5.220 1.00 13.22 C ATOM 796 CG LEU A 55 0.705 -2.407 -3.970 1.00 23.22 C ATOM 797 CD1 LEU A 55 0.331 -0.944 -4.199 1.00 14.32 C ATOM 798 CD2 LEU A 55 -0.526 -3.220 -3.567 1.00 33.41 C ATOM 0 H LEU A 55 2.815 -3.981 -6.975 1.00 61.31 H new ATOM 0 HA LEU A 55 2.228 -1.339 -6.256 1.00 31.24 H new ATOM 0 HB2 LEU A 55 0.615 -3.103 -6.004 1.00 13.22 H new ATOM 0 HB3 LEU A 55 1.685 -4.036 -4.977 1.00 13.22 H new ATOM 0 HG LEU A 55 1.429 -2.439 -3.156 1.00 23.22 H new ATOM 0 HD11 LEU A 55 -0.134 -0.542 -3.299 1.00 14.32 H new ATOM 0 HD12 LEU A 55 1.229 -0.371 -4.431 1.00 14.32 H new ATOM 0 HD13 LEU A 55 -0.369 -0.873 -5.031 1.00 14.32 H new ATOM 0 HD21 LEU A 55 -0.983 -2.774 -2.684 1.00 33.41 H new ATOM 0 HD22 LEU A 55 -1.245 -3.222 -4.386 1.00 33.41 H new ATOM 0 HD23 LEU A 55 -0.228 -4.244 -3.344 1.00 33.41 H new ATOM 810 N VAL A 56 4.253 -2.864 -4.125 1.00 23.12 N ATOM 811 CA VAL A 56 5.243 -2.627 -3.075 1.00 73.24 C ATOM 812 C VAL A 56 6.348 -1.667 -3.550 1.00 62.21 C ATOM 813 O VAL A 56 6.806 -0.813 -2.789 1.00 35.43 O ATOM 814 CB VAL A 56 5.868 -3.960 -2.588 1.00 23.11 C ATOM 815 CG1 VAL A 56 6.998 -3.710 -1.593 1.00 2.30 C ATOM 816 CG2 VAL A 56 4.795 -4.854 -1.965 1.00 23.22 C ATOM 0 H VAL A 56 4.156 -3.842 -4.398 1.00 23.12 H new ATOM 0 HA VAL A 56 4.722 -2.160 -2.239 1.00 73.24 H new ATOM 0 HB VAL A 56 6.291 -4.470 -3.454 1.00 23.11 H new ATOM 0 HG11 VAL A 56 7.416 -4.663 -1.270 1.00 2.30 H new ATOM 0 HG12 VAL A 56 7.777 -3.115 -2.069 1.00 2.30 H new ATOM 0 HG13 VAL A 56 6.609 -3.173 -0.728 1.00 2.30 H new ATOM 0 HG21 VAL A 56 5.249 -5.786 -1.628 1.00 23.22 H new ATOM 0 HG22 VAL A 56 4.343 -4.342 -1.115 1.00 23.22 H new ATOM 0 HG23 VAL A 56 4.027 -5.072 -2.707 1.00 23.22 H new ATOM 826 N LYS A 57 6.764 -1.800 -4.811 1.00 43.04 N ATOM 827 CA LYS A 57 7.751 -0.884 -5.399 1.00 32.13 C ATOM 828 C LYS A 57 7.272 0.577 -5.339 1.00 3.43 C ATOM 829 O LYS A 57 8.000 1.454 -4.868 1.00 63.41 O ATOM 830 CB LYS A 57 8.065 -1.279 -6.850 1.00 13.33 C ATOM 831 CG LYS A 57 8.883 -2.562 -6.972 1.00 3.21 C ATOM 832 CD LYS A 57 9.174 -2.924 -8.427 1.00 2.31 C ATOM 833 CE LYS A 57 10.160 -4.083 -8.534 1.00 1.13 C ATOM 834 NZ LYS A 57 11.506 -3.718 -8.017 1.00 62.43 N ATOM 0 H LYS A 57 6.436 -2.529 -5.445 1.00 43.04 H new ATOM 0 HA LYS A 57 8.663 -0.965 -4.807 1.00 32.13 H new ATOM 0 HB2 LYS A 57 7.129 -1.402 -7.395 1.00 13.33 H new ATOM 0 HB3 LYS A 57 8.608 -0.465 -7.330 1.00 13.33 H new ATOM 0 HG2 LYS A 57 9.823 -2.444 -6.434 1.00 3.21 H new ATOM 0 HG3 LYS A 57 8.344 -3.381 -6.496 1.00 3.21 H new ATOM 0 HD2 LYS A 57 8.244 -3.190 -8.929 1.00 2.31 H new ATOM 0 HD3 LYS A 57 9.578 -2.054 -8.945 1.00 2.31 H new ATOM 0 HE2 LYS A 57 9.777 -4.938 -7.977 1.00 1.13 H new ATOM 0 HE3 LYS A 57 10.243 -4.393 -9.576 1.00 1.13 H new ATOM 0 HZ1 LYS A 57 12.205 -4.414 -8.346 1.00 62.43 H new ATOM 0 HZ2 LYS A 57 11.767 -2.774 -8.365 1.00 62.43 H new ATOM 0 HZ3 LYS A 57 11.488 -3.711 -6.977 1.00 62.43 H new ATOM 848 N GLU A 58 6.043 0.833 -5.797 1.00 52.43 N ATOM 849 CA GLU A 58 5.465 2.187 -5.736 1.00 2.42 C ATOM 850 C GLU A 58 5.407 2.713 -4.291 1.00 73.04 C ATOM 851 O GLU A 58 5.638 3.899 -4.040 1.00 43.51 O ATOM 852 CB GLU A 58 4.059 2.216 -6.358 1.00 64.02 C ATOM 853 CG GLU A 58 4.046 2.113 -7.881 1.00 14.51 C ATOM 854 CD GLU A 58 2.678 2.427 -8.472 1.00 5.34 C ATOM 855 OE1 GLU A 58 2.380 3.621 -8.694 1.00 60.23 O ATOM 856 OE2 GLU A 58 1.896 1.489 -8.714 1.00 42.40 O ATOM 0 H GLU A 58 5.431 0.130 -6.211 1.00 52.43 H new ATOM 0 HA GLU A 58 6.120 2.840 -6.313 1.00 2.42 H new ATOM 0 HB2 GLU A 58 3.474 1.394 -5.945 1.00 64.02 H new ATOM 0 HB3 GLU A 58 3.563 3.141 -6.063 1.00 64.02 H new ATOM 0 HG2 GLU A 58 4.784 2.800 -8.295 1.00 14.51 H new ATOM 0 HG3 GLU A 58 4.345 1.107 -8.177 1.00 14.51 H new ATOM 863 N LEU A 59 5.088 1.828 -3.346 1.00 0.25 N ATOM 864 CA LEU A 59 5.084 2.184 -1.920 1.00 71.55 C ATOM 865 C LEU A 59 6.485 2.614 -1.440 1.00 33.12 C ATOM 866 O LEU A 59 6.645 3.675 -0.835 1.00 44.42 O ATOM 867 CB LEU A 59 4.578 0.999 -1.084 1.00 2.24 C ATOM 868 CG LEU A 59 3.129 0.569 -1.371 1.00 23.24 C ATOM 869 CD1 LEU A 59 2.806 -0.742 -0.663 1.00 75.14 C ATOM 870 CD2 LEU A 59 2.148 1.665 -0.957 1.00 22.12 C ATOM 0 H LEU A 59 4.829 0.860 -3.538 1.00 0.25 H new ATOM 0 HA LEU A 59 4.412 3.032 -1.788 1.00 71.55 H new ATOM 0 HB2 LEU A 59 5.235 0.146 -1.256 1.00 2.24 H new ATOM 0 HB3 LEU A 59 4.662 1.257 -0.028 1.00 2.24 H new ATOM 0 HG LEU A 59 3.027 0.410 -2.444 1.00 23.24 H new ATOM 0 HD11 LEU A 59 1.777 -1.028 -0.879 1.00 75.14 H new ATOM 0 HD12 LEU A 59 3.481 -1.522 -1.015 1.00 75.14 H new ATOM 0 HD13 LEU A 59 2.929 -0.615 0.413 1.00 75.14 H new ATOM 0 HD21 LEU A 59 1.129 1.340 -1.169 1.00 22.12 H new ATOM 0 HD22 LEU A 59 2.252 1.862 0.110 1.00 22.12 H new ATOM 0 HD23 LEU A 59 2.362 2.575 -1.517 1.00 22.12 H new ATOM 882 N ASN A 60 7.495 1.789 -1.725 1.00 73.34 N ATOM 883 CA ASN A 60 8.880 2.089 -1.328 1.00 23.21 C ATOM 884 C ASN A 60 9.373 3.416 -1.924 1.00 62.14 C ATOM 885 O ASN A 60 9.801 4.309 -1.190 1.00 63.10 O ATOM 886 CB ASN A 60 9.828 0.954 -1.741 1.00 23.24 C ATOM 887 CG ASN A 60 9.760 -0.228 -0.797 1.00 20.22 C ATOM 888 OD1 ASN A 60 10.445 -0.263 0.214 1.00 23.20 O ATOM 889 ND2 ASN A 60 8.945 -1.208 -1.114 1.00 0.52 N ATOM 0 H ASN A 60 7.384 0.909 -2.228 1.00 73.34 H new ATOM 0 HA ASN A 60 8.883 2.182 -0.242 1.00 23.21 H new ATOM 0 HB2 ASN A 60 9.578 0.625 -2.750 1.00 23.24 H new ATOM 0 HB3 ASN A 60 10.850 1.332 -1.773 1.00 23.24 H new ATOM 0 HD21 ASN A 60 8.872 -2.026 -0.509 1.00 0.52 H new ATOM 0 HD22 ASN A 60 8.385 -1.151 -1.965 1.00 0.52 H new ATOM 896 N GLU A 61 9.304 3.541 -3.253 1.00 53.20 N ATOM 897 CA GLU A 61 9.762 4.758 -3.944 1.00 12.12 C ATOM 898 C GLU A 61 9.114 6.022 -3.353 1.00 73.24 C ATOM 899 O GLU A 61 9.757 7.063 -3.240 1.00 22.21 O ATOM 900 CB GLU A 61 9.479 4.665 -5.455 1.00 73.24 C ATOM 901 CG GLU A 61 10.303 3.593 -6.169 1.00 23.52 C ATOM 902 CD GLU A 61 10.079 3.567 -7.676 1.00 32.33 C ATOM 903 OE1 GLU A 61 10.535 4.505 -8.366 1.00 61.10 O ATOM 904 OE2 GLU A 61 9.463 2.600 -8.181 1.00 35.24 O ATOM 0 H GLU A 61 8.937 2.819 -3.873 1.00 53.20 H new ATOM 0 HA GLU A 61 10.839 4.835 -3.794 1.00 12.12 H new ATOM 0 HB2 GLU A 61 8.420 4.457 -5.605 1.00 73.24 H new ATOM 0 HB3 GLU A 61 9.682 5.633 -5.914 1.00 73.24 H new ATOM 0 HG2 GLU A 61 11.361 3.764 -5.968 1.00 23.52 H new ATOM 0 HG3 GLU A 61 10.054 2.616 -5.754 1.00 23.52 H new ATOM 911 N TYR A 62 7.845 5.916 -2.960 1.00 31.22 N ATOM 912 CA TYR A 62 7.129 7.026 -2.316 1.00 45.34 C ATOM 913 C TYR A 62 7.841 7.487 -1.033 1.00 73.32 C ATOM 914 O TYR A 62 8.114 8.677 -0.853 1.00 74.12 O ATOM 915 CB TYR A 62 5.693 6.600 -1.992 1.00 42.21 C ATOM 916 CG TYR A 62 4.866 7.665 -1.289 1.00 2.50 C ATOM 917 CD1 TYR A 62 4.358 8.754 -1.990 1.00 3.42 C ATOM 918 CD2 TYR A 62 4.595 7.581 0.074 1.00 62.32 C ATOM 919 CE1 TYR A 62 3.604 9.723 -1.357 1.00 72.32 C ATOM 920 CE2 TYR A 62 3.841 8.546 0.713 1.00 24.02 C ATOM 921 CZ TYR A 62 3.348 9.615 -0.005 1.00 63.43 C ATOM 922 OH TYR A 62 2.603 10.583 0.637 1.00 71.20 O ATOM 0 H TYR A 62 7.286 5.070 -3.075 1.00 31.22 H new ATOM 0 HA TYR A 62 7.114 7.866 -3.011 1.00 45.34 H new ATOM 0 HB2 TYR A 62 5.192 6.321 -2.919 1.00 42.21 H new ATOM 0 HB3 TYR A 62 5.724 5.709 -1.365 1.00 42.21 H new ATOM 0 HD1 TYR A 62 4.557 8.843 -3.048 1.00 3.42 H new ATOM 0 HD2 TYR A 62 4.981 6.747 0.641 1.00 62.32 H new ATOM 0 HE1 TYR A 62 3.217 10.561 -1.917 1.00 72.32 H new ATOM 0 HE2 TYR A 62 3.638 8.464 1.771 1.00 24.02 H new ATOM 0 HH TYR A 62 2.406 10.291 1.551 1.00 71.20 H new ATOM 932 N PHE A 63 8.138 6.541 -0.142 1.00 64.21 N ATOM 933 CA PHE A 63 8.852 6.854 1.102 1.00 33.35 C ATOM 934 C PHE A 63 10.251 7.425 0.815 1.00 65.22 C ATOM 935 O PHE A 63 10.739 8.294 1.543 1.00 20.25 O ATOM 936 CB PHE A 63 8.953 5.612 2.000 1.00 1.24 C ATOM 937 CG PHE A 63 7.635 5.205 2.614 1.00 63.25 C ATOM 938 CD1 PHE A 63 7.123 5.900 3.701 1.00 61.04 C ATOM 939 CD2 PHE A 63 6.910 4.132 2.111 1.00 23.22 C ATOM 940 CE1 PHE A 63 5.916 5.537 4.269 1.00 74.23 C ATOM 941 CE2 PHE A 63 5.703 3.767 2.678 1.00 35.44 C ATOM 942 CZ PHE A 63 5.207 4.468 3.758 1.00 2.45 C ATOM 0 H PHE A 63 7.898 5.556 -0.255 1.00 64.21 H new ATOM 0 HA PHE A 63 8.279 7.617 1.629 1.00 33.35 H new ATOM 0 HB2 PHE A 63 9.344 4.780 1.414 1.00 1.24 H new ATOM 0 HB3 PHE A 63 9.671 5.806 2.796 1.00 1.24 H new ATOM 0 HD1 PHE A 63 7.674 6.735 4.108 1.00 61.04 H new ATOM 0 HD2 PHE A 63 7.293 3.577 1.268 1.00 23.22 H new ATOM 0 HE1 PHE A 63 5.528 6.089 5.112 1.00 74.23 H new ATOM 0 HE2 PHE A 63 5.148 2.933 2.275 1.00 35.44 H new ATOM 0 HZ PHE A 63 4.266 4.181 4.203 1.00 2.45 H new ATOM 952 N GLU A 64 10.889 6.935 -0.250 1.00 43.25 N ATOM 953 CA GLU A 64 12.182 7.472 -0.688 1.00 33.23 C ATOM 954 C GLU A 64 12.036 8.922 -1.180 1.00 73.31 C ATOM 955 O GLU A 64 12.917 9.757 -0.960 1.00 64.24 O ATOM 956 CB GLU A 64 12.784 6.600 -1.800 1.00 34.04 C ATOM 957 CG GLU A 64 12.880 5.121 -1.437 1.00 11.12 C ATOM 958 CD GLU A 64 13.701 4.325 -2.440 1.00 72.54 C ATOM 959 OE1 GLU A 64 13.236 4.134 -3.586 1.00 75.14 O ATOM 960 OE2 GLU A 64 14.820 3.890 -2.087 1.00 34.10 O ATOM 0 H GLU A 64 10.534 6.170 -0.824 1.00 43.25 H new ATOM 0 HA GLU A 64 12.855 7.462 0.170 1.00 33.23 H new ATOM 0 HB2 GLU A 64 12.178 6.705 -2.700 1.00 34.04 H new ATOM 0 HB3 GLU A 64 13.780 6.971 -2.041 1.00 34.04 H new ATOM 0 HG2 GLU A 64 13.326 5.022 -0.447 1.00 11.12 H new ATOM 0 HG3 GLU A 64 11.877 4.699 -1.378 1.00 11.12 H new ATOM 967 N LYS A 65 10.915 9.209 -1.848 1.00 31.24 N ATOM 968 CA LYS A 65 10.600 10.574 -2.285 1.00 15.33 C ATOM 969 C LYS A 65 10.428 11.508 -1.082 1.00 73.32 C ATOM 970 O LYS A 65 10.833 12.666 -1.127 1.00 11.43 O ATOM 971 CB LYS A 65 9.331 10.594 -3.151 1.00 4.03 C ATOM 972 CG LYS A 65 9.490 9.876 -4.487 1.00 41.23 C ATOM 973 CD LYS A 65 10.565 10.524 -5.356 1.00 30.32 C ATOM 974 CE LYS A 65 10.738 9.793 -6.682 1.00 22.51 C ATOM 975 NZ LYS A 65 11.909 10.301 -7.443 1.00 51.34 N ATOM 0 H LYS A 65 10.210 8.515 -2.098 1.00 31.24 H new ATOM 0 HA LYS A 65 11.437 10.930 -2.886 1.00 15.33 H new ATOM 0 HB2 LYS A 65 8.515 10.132 -2.595 1.00 4.03 H new ATOM 0 HB3 LYS A 65 9.045 11.629 -3.337 1.00 4.03 H new ATOM 0 HG2 LYS A 65 9.747 8.832 -4.310 1.00 41.23 H new ATOM 0 HG3 LYS A 65 8.539 9.884 -5.019 1.00 41.23 H new ATOM 0 HD2 LYS A 65 10.300 11.564 -5.546 1.00 30.32 H new ATOM 0 HD3 LYS A 65 11.513 10.530 -4.818 1.00 30.32 H new ATOM 0 HE2 LYS A 65 10.861 8.726 -6.496 1.00 22.51 H new ATOM 0 HE3 LYS A 65 9.836 9.910 -7.282 1.00 22.51 H new ATOM 0 HZ1 LYS A 65 11.994 9.779 -8.339 1.00 51.34 H new ATOM 0 HZ2 LYS A 65 11.780 11.314 -7.643 1.00 51.34 H new ATOM 0 HZ3 LYS A 65 12.773 10.166 -6.881 1.00 51.34 H new ATOM 989 N LYS A 66 9.829 10.994 -0.006 1.00 51.34 N ATOM 990 CA LYS A 66 9.689 11.764 1.237 1.00 61.42 C ATOM 991 C LYS A 66 11.050 12.252 1.750 1.00 52.44 C ATOM 992 O LYS A 66 11.191 13.404 2.155 1.00 4.12 O ATOM 993 CB LYS A 66 9.011 10.932 2.331 1.00 52.52 C ATOM 994 CG LYS A 66 7.561 10.562 2.036 1.00 25.30 C ATOM 995 CD LYS A 66 6.873 9.982 3.271 1.00 22.31 C ATOM 996 CE LYS A 66 6.899 10.971 4.436 1.00 51.44 C ATOM 997 NZ LYS A 66 6.217 10.441 5.644 1.00 34.13 N ATOM 0 H LYS A 66 9.435 10.054 0.033 1.00 51.34 H new ATOM 0 HA LYS A 66 9.066 12.628 1.004 1.00 61.42 H new ATOM 0 HB2 LYS A 66 9.583 10.016 2.481 1.00 52.52 H new ATOM 0 HB3 LYS A 66 9.048 11.488 3.268 1.00 52.52 H new ATOM 0 HG2 LYS A 66 7.020 11.445 1.697 1.00 25.30 H new ATOM 0 HG3 LYS A 66 7.527 9.836 1.224 1.00 25.30 H new ATOM 0 HD2 LYS A 66 5.841 9.728 3.030 1.00 22.31 H new ATOM 0 HD3 LYS A 66 7.368 9.057 3.565 1.00 22.31 H new ATOM 0 HE2 LYS A 66 7.933 11.211 4.682 1.00 51.44 H new ATOM 0 HE3 LYS A 66 6.420 11.901 4.130 1.00 51.44 H new ATOM 0 HZ1 LYS A 66 6.291 11.134 6.416 1.00 34.13 H new ATOM 0 HZ2 LYS A 66 5.214 10.268 5.429 1.00 34.13 H new ATOM 0 HZ3 LYS A 66 6.668 9.550 5.934 1.00 34.13 H new ATOM 1011 N GLU A 67 12.046 11.365 1.722 1.00 41.20 N ATOM 1012 CA GLU A 67 13.407 11.705 2.159 1.00 1.14 C ATOM 1013 C GLU A 67 13.973 12.893 1.358 1.00 61.13 C ATOM 1014 O GLU A 67 14.799 13.658 1.858 1.00 51.31 O ATOM 1015 CB GLU A 67 14.328 10.483 2.004 1.00 23.32 C ATOM 1016 CG GLU A 67 13.854 9.243 2.761 1.00 10.24 C ATOM 1017 CD GLU A 67 14.798 8.060 2.603 1.00 74.33 C ATOM 1018 OE1 GLU A 67 15.790 7.982 3.359 1.00 73.22 O ATOM 1019 OE2 GLU A 67 14.558 7.205 1.720 1.00 61.13 O ATOM 0 H GLU A 67 11.938 10.403 1.401 1.00 41.20 H new ATOM 0 HA GLU A 67 13.361 11.996 3.208 1.00 1.14 H new ATOM 0 HB2 GLU A 67 14.414 10.238 0.945 1.00 23.32 H new ATOM 0 HB3 GLU A 67 15.327 10.748 2.352 1.00 23.32 H new ATOM 0 HG2 GLU A 67 13.755 9.485 3.819 1.00 10.24 H new ATOM 0 HG3 GLU A 67 12.863 8.962 2.404 1.00 10.24 H new ATOM 1026 N VAL A 68 13.519 13.037 0.115 1.00 55.32 N ATOM 1027 CA VAL A 68 13.946 14.139 -0.756 1.00 24.44 C ATOM 1028 C VAL A 68 13.100 15.405 -0.521 1.00 31.53 C ATOM 1029 O VAL A 68 13.628 16.492 -0.283 1.00 51.04 O ATOM 1030 CB VAL A 68 13.850 13.730 -2.249 1.00 34.11 C ATOM 1031 CG1 VAL A 68 14.234 14.890 -3.164 1.00 40.44 C ATOM 1032 CG2 VAL A 68 14.719 12.502 -2.525 1.00 34.13 C ATOM 0 H VAL A 68 12.850 12.401 -0.318 1.00 55.32 H new ATOM 0 HA VAL A 68 14.984 14.361 -0.507 1.00 24.44 H new ATOM 0 HB VAL A 68 12.813 13.470 -2.464 1.00 34.11 H new ATOM 0 HG11 VAL A 68 14.157 14.574 -4.204 1.00 40.44 H new ATOM 0 HG12 VAL A 68 13.561 15.729 -2.989 1.00 40.44 H new ATOM 0 HG13 VAL A 68 15.258 15.196 -2.953 1.00 40.44 H new ATOM 0 HG21 VAL A 68 14.639 12.229 -3.577 1.00 34.13 H new ATOM 0 HG22 VAL A 68 15.758 12.730 -2.287 1.00 34.13 H new ATOM 0 HG23 VAL A 68 14.380 11.670 -1.908 1.00 34.13 H new ATOM 1042 N LEU A 69 11.781 15.248 -0.591 1.00 11.13 N ATOM 1043 CA LEU A 69 10.839 16.362 -0.436 1.00 2.03 C ATOM 1044 C LEU A 69 10.890 16.980 0.973 1.00 31.40 C ATOM 1045 O LEU A 69 11.068 18.190 1.123 1.00 24.54 O ATOM 1046 CB LEU A 69 9.419 15.865 -0.739 1.00 10.23 C ATOM 1047 CG LEU A 69 9.214 15.293 -2.153 1.00 14.40 C ATOM 1048 CD1 LEU A 69 7.838 14.644 -2.274 1.00 63.14 C ATOM 1049 CD2 LEU A 69 9.401 16.383 -3.209 1.00 45.22 C ATOM 0 H LEU A 69 11.331 14.347 -0.756 1.00 11.13 H new ATOM 0 HA LEU A 69 11.126 17.144 -1.139 1.00 2.03 H new ATOM 0 HB2 LEU A 69 9.157 15.096 -0.012 1.00 10.23 H new ATOM 0 HB3 LEU A 69 8.723 16.691 -0.594 1.00 10.23 H new ATOM 0 HG LEU A 69 9.967 14.524 -2.327 1.00 14.40 H new ATOM 0 HD11 LEU A 69 7.711 14.245 -3.280 1.00 63.14 H new ATOM 0 HD12 LEU A 69 7.753 13.834 -1.549 1.00 63.14 H new ATOM 0 HD13 LEU A 69 7.066 15.388 -2.079 1.00 63.14 H new ATOM 0 HD21 LEU A 69 9.252 15.958 -4.201 1.00 45.22 H new ATOM 0 HD22 LEU A 69 8.675 17.179 -3.043 1.00 45.22 H new ATOM 0 HD23 LEU A 69 10.409 16.790 -3.137 1.00 45.22 H new ATOM 1061 N GLU A 70 10.711 16.149 1.997 1.00 72.21 N ATOM 1062 CA GLU A 70 10.715 16.611 3.394 1.00 11.42 C ATOM 1063 C GLU A 70 12.090 16.393 4.070 1.00 15.15 C ATOM 1064 O GLU A 70 12.956 17.294 3.973 1.00 38.34 O ATOM 1065 CB GLU A 70 9.601 15.890 4.172 1.00 63.02 C ATOM 1066 CG GLU A 70 8.301 15.775 3.382 1.00 44.43 C ATOM 1067 CD GLU A 70 7.106 15.393 4.241 1.00 4.23 C ATOM 1068 OE1 GLU A 70 6.846 14.185 4.411 1.00 74.03 O ATOM 1069 OE2 GLU A 70 6.409 16.305 4.736 1.00 61.43 O ATOM 0 H GLU A 70 10.560 15.146 1.890 1.00 72.21 H new ATOM 0 HA GLU A 70 10.527 17.685 3.402 1.00 11.42 H new ATOM 0 HB2 GLU A 70 9.943 14.892 4.445 1.00 63.02 H new ATOM 0 HB3 GLU A 70 9.409 16.426 5.101 1.00 63.02 H new ATOM 0 HG2 GLU A 70 8.097 16.727 2.891 1.00 44.43 H new ATOM 0 HG3 GLU A 70 8.427 15.031 2.595 1.00 44.43 H new TER 1076 GLU A 70