USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 519 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 Single : A 1 MET CE :methyl -154:sc= 0 (180deg=-0.0317) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.205 (180deg=-0.191) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0122) USER MOD Single : A 9 MET CE :methyl 176:sc= 0 (180deg=-0.0106) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0404 USER MOD Single : A 11 CYS SG : rot -160:sc= -1.02 USER MOD Single : A 12 ASN : amide:sc= -0.568 K(o=-0.57,f=-7!) USER MOD Single : A 13 HIS : no HD1:sc= -0.0528 X(o=-0.053,f=-0.022) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -173:sc=-0.00591 (180deg=-0.073) USER MOD Single : A 19 THR OG1 : rot 74:sc= 1.29 USER MOD Single : A 20 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0144) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 144:sc= 1.26 (180deg=0.795) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= -0.0752 (180deg=-0.454) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.465 K(o=0.47,f=-0.18) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.384 9.564 2.405 1.00 0.00 N ATOM 2 CA MET A 1 10.745 8.233 2.340 1.00 0.00 C ATOM 3 C MET A 1 9.865 8.167 1.090 1.00 0.00 C ATOM 4 O MET A 1 10.025 9.030 0.228 1.00 0.00 O ATOM 5 CB MET A 1 10.055 7.844 3.655 1.00 0.00 C ATOM 6 CG MET A 1 10.996 7.945 4.861 1.00 0.00 C ATOM 7 SD MET A 1 12.624 7.195 4.596 1.00 0.00 S ATOM 8 CE MET A 1 13.365 7.476 6.226 1.00 0.00 C ATOM 0 H1 MET A 1 12.394 9.454 2.626 1.00 0.00 H new ATOM 0 H2 MET A 1 11.280 10.044 1.488 1.00 0.00 H new ATOM 0 H3 MET A 1 10.928 10.132 3.147 1.00 0.00 H new ATOM 0 HA MET A 1 11.504 7.458 2.233 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.193 8.491 3.815 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.678 6.824 3.576 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.130 8.996 5.117 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.523 7.466 5.718 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.450 7.516 6.130 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.001 8.419 6.633 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.090 6.661 6.896 1.00 0.00 H new ATOM 18 N LEU A 2 8.984 7.170 0.909 1.00 0.00 N ATOM 19 CA LEU A 2 8.159 7.094 -0.306 1.00 0.00 C ATOM 20 C LEU A 2 6.670 7.045 0.045 1.00 0.00 C ATOM 21 O LEU A 2 6.291 6.869 1.206 1.00 0.00 O ATOM 22 CB LEU A 2 8.581 5.880 -1.169 1.00 0.00 C ATOM 23 CG LEU A 2 9.892 5.961 -1.983 1.00 0.00 C ATOM 24 CD1 LEU A 2 9.921 7.137 -2.956 1.00 0.00 C ATOM 25 CD2 LEU A 2 11.177 5.933 -1.147 1.00 0.00 C ATOM 0 H LEU A 2 8.826 6.416 1.578 1.00 0.00 H new ATOM 0 HA LEU A 2 8.323 7.997 -0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.656 5.016 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.771 5.676 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 2 9.881 5.035 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.867 7.138 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.098 7.043 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.818 8.070 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 2 12.042 5.995 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.183 6.780 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.220 5.005 -0.578 1.00 0.00 H new ATOM 37 N LYS A 3 5.819 7.281 -0.950 1.00 0.00 N ATOM 38 CA LYS A 3 4.361 7.265 -0.868 1.00 0.00 C ATOM 39 C LYS A 3 3.832 6.664 -2.165 1.00 0.00 C ATOM 40 O LYS A 3 4.432 6.831 -3.235 1.00 0.00 O ATOM 41 CB LYS A 3 3.747 8.659 -0.644 1.00 0.00 C ATOM 42 CG LYS A 3 4.239 9.326 0.646 1.00 0.00 C ATOM 43 CD LYS A 3 3.405 10.552 1.028 1.00 0.00 C ATOM 44 CE LYS A 3 4.095 11.352 2.136 1.00 0.00 C ATOM 45 NZ LYS A 3 3.352 12.590 2.438 1.00 0.00 N ATOM 0 H LYS A 3 6.148 7.501 -1.890 1.00 0.00 H new ATOM 0 HA LYS A 3 4.073 6.671 -0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.989 9.298 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.661 8.571 -0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.208 8.602 1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.280 9.623 0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.258 11.185 0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.417 10.236 1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.172 10.742 3.036 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.112 11.600 1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.841 13.113 3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.300 13.181 1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.390 12.350 2.751 1.00 0.00 H new ATOM 59 N LEU A 4 2.709 5.971 -2.057 1.00 0.00 N ATOM 60 CA LEU A 4 1.983 5.282 -3.110 1.00 0.00 C ATOM 61 C LEU A 4 0.496 5.537 -2.919 1.00 0.00 C ATOM 62 O LEU A 4 0.053 5.832 -1.805 1.00 0.00 O ATOM 63 CB LEU A 4 2.415 3.805 -3.069 1.00 0.00 C ATOM 64 CG LEU A 4 1.578 2.717 -3.762 1.00 0.00 C ATOM 65 CD1 LEU A 4 2.514 1.545 -4.093 1.00 0.00 C ATOM 66 CD2 LEU A 4 0.486 2.209 -2.817 1.00 0.00 C ATOM 0 H LEU A 4 2.244 5.868 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 4 2.209 5.645 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.418 3.754 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.497 3.525 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 4 1.114 3.125 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.948 0.755 -4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.309 1.890 -4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.951 1.157 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.100 1.439 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.946 1.790 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.166 3.036 -2.536 1.00 0.00 H new ATOM 78 N LYS A 5 -0.258 5.572 -4.010 1.00 0.00 N ATOM 79 CA LYS A 5 -1.697 5.769 -4.002 1.00 0.00 C ATOM 80 C LYS A 5 -2.317 4.377 -4.089 1.00 0.00 C ATOM 81 O LYS A 5 -1.795 3.528 -4.810 1.00 0.00 O ATOM 82 CB LYS A 5 -2.106 6.694 -5.152 1.00 0.00 C ATOM 83 CG LYS A 5 -3.571 7.100 -4.965 1.00 0.00 C ATOM 84 CD LYS A 5 -4.008 8.275 -5.847 1.00 0.00 C ATOM 85 CE LYS A 5 -3.799 8.013 -7.340 1.00 0.00 C ATOM 86 NZ LYS A 5 -4.526 6.824 -7.826 1.00 0.00 N ATOM 0 H LYS A 5 0.127 5.461 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.050 6.263 -3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.469 7.578 -5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.974 6.188 -6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.206 6.241 -5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.734 7.363 -3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.062 8.486 -5.665 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.450 9.166 -5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.124 8.887 -7.905 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.734 7.885 -7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.401 6.737 -8.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.152 5.973 -7.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.538 6.923 -7.608 1.00 0.00 H new ATOM 100 N VAL A 6 -3.374 4.135 -3.324 1.00 0.00 N ATOM 101 CA VAL A 6 -4.118 2.892 -3.221 1.00 0.00 C ATOM 102 C VAL A 6 -5.567 3.198 -3.581 1.00 0.00 C ATOM 103 O VAL A 6 -6.165 4.107 -2.999 1.00 0.00 O ATOM 104 CB VAL A 6 -4.034 2.387 -1.756 1.00 0.00 C ATOM 105 CG1 VAL A 6 -4.788 1.079 -1.451 1.00 0.00 C ATOM 106 CG2 VAL A 6 -2.588 2.193 -1.295 1.00 0.00 C ATOM 0 H VAL A 6 -3.760 4.857 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.716 2.128 -3.887 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.529 3.189 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.660 0.822 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.848 1.212 -1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.390 0.276 -2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.579 1.839 -0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.097 1.459 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.056 3.142 -1.357 1.00 0.00 H new ATOM 116 N GLU A 7 -6.157 2.445 -4.503 1.00 0.00 N ATOM 117 CA GLU A 7 -7.546 2.616 -4.899 1.00 0.00 C ATOM 118 C GLU A 7 -8.196 1.233 -4.908 1.00 0.00 C ATOM 119 O GLU A 7 -7.583 0.230 -5.292 1.00 0.00 O ATOM 120 CB GLU A 7 -7.657 3.331 -6.257 1.00 0.00 C ATOM 121 CG GLU A 7 -7.538 4.862 -6.140 1.00 0.00 C ATOM 122 CD GLU A 7 -8.764 5.511 -5.478 1.00 0.00 C ATOM 123 OE1 GLU A 7 -9.876 5.391 -6.046 1.00 0.00 O ATOM 124 OE2 GLU A 7 -8.628 6.186 -4.432 1.00 0.00 O ATOM 0 H GLU A 7 -5.679 1.693 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.072 3.257 -4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.876 2.961 -6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.613 3.080 -6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.647 5.109 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.401 5.287 -7.134 1.00 0.00 H new ATOM 131 N GLY A 8 -9.455 1.188 -4.485 1.00 0.00 N ATOM 132 CA GLY A 8 -10.272 -0.006 -4.409 1.00 0.00 C ATOM 133 C GLY A 8 -11.732 0.353 -4.648 1.00 0.00 C ATOM 134 O GLY A 8 -12.073 1.522 -4.845 1.00 0.00 O ATOM 0 H GLY A 8 -9.951 2.023 -4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.940 -0.733 -5.151 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.158 -0.474 -3.431 1.00 0.00 H new ATOM 138 N MET A 9 -12.608 -0.650 -4.606 1.00 0.00 N ATOM 139 CA MET A 9 -14.035 -0.458 -4.834 1.00 0.00 C ATOM 140 C MET A 9 -14.667 0.525 -3.841 1.00 0.00 C ATOM 141 O MET A 9 -15.436 1.388 -4.258 1.00 0.00 O ATOM 142 CB MET A 9 -14.753 -1.817 -4.828 1.00 0.00 C ATOM 143 CG MET A 9 -16.140 -1.745 -5.480 1.00 0.00 C ATOM 144 SD MET A 9 -16.147 -1.396 -7.264 1.00 0.00 S ATOM 145 CE MET A 9 -15.598 -2.999 -7.906 1.00 0.00 C ATOM 0 H MET A 9 -12.346 -1.617 -4.413 1.00 0.00 H new ATOM 0 HA MET A 9 -14.156 -0.002 -5.817 1.00 0.00 H new ATOM 0 HB2 MET A 9 -14.143 -2.550 -5.356 1.00 0.00 H new ATOM 0 HB3 MET A 9 -14.854 -2.167 -3.801 1.00 0.00 H new ATOM 0 HG2 MET A 9 -16.652 -2.692 -5.311 1.00 0.00 H new ATOM 0 HG3 MET A 9 -16.721 -0.974 -4.974 1.00 0.00 H new ATOM 0 HE1 MET A 9 -15.616 -2.980 -8.996 1.00 0.00 H new ATOM 0 HE2 MET A 9 -14.583 -3.200 -7.563 1.00 0.00 H new ATOM 0 HE3 MET A 9 -16.265 -3.783 -7.546 1.00 0.00 H new ATOM 155 N THR A 10 -14.376 0.387 -2.546 1.00 0.00 N ATOM 156 CA THR A 10 -14.885 1.213 -1.450 1.00 0.00 C ATOM 157 C THR A 10 -14.142 0.790 -0.171 1.00 0.00 C ATOM 158 O THR A 10 -13.225 -0.042 -0.234 1.00 0.00 O ATOM 159 CB THR A 10 -16.414 1.008 -1.323 1.00 0.00 C ATOM 160 OG1 THR A 10 -16.960 1.841 -0.326 1.00 0.00 O ATOM 161 CG2 THR A 10 -16.795 -0.447 -1.014 1.00 0.00 C ATOM 0 H THR A 10 -13.745 -0.343 -2.216 1.00 0.00 H new ATOM 0 HA THR A 10 -14.713 2.274 -1.630 1.00 0.00 H new ATOM 0 HB THR A 10 -16.829 1.272 -2.296 1.00 0.00 H new ATOM 0 HG1 THR A 10 -17.927 1.692 -0.269 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.879 -0.531 -0.936 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.438 -1.095 -1.815 1.00 0.00 H new ATOM 0 HG23 THR A 10 -16.339 -0.750 -0.071 1.00 0.00 H new ATOM 169 N CYS A 11 -14.469 1.377 0.984 1.00 0.00 N ATOM 170 CA CYS A 11 -13.839 1.004 2.241 1.00 0.00 C ATOM 171 C CYS A 11 -14.394 -0.366 2.636 1.00 0.00 C ATOM 172 O CYS A 11 -15.599 -0.626 2.507 1.00 0.00 O ATOM 173 CB CYS A 11 -14.112 2.026 3.347 1.00 0.00 C ATOM 174 SG CYS A 11 -13.127 1.532 4.788 1.00 0.00 S ATOM 0 H CYS A 11 -15.169 2.114 1.068 1.00 0.00 H new ATOM 0 HA CYS A 11 -12.757 0.972 2.111 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -13.839 3.029 3.020 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -15.173 2.050 3.596 1.00 0.00 H new ATOM 0 HG CYS A 11 -13.617 2.083 5.858 1.00 0.00 H new ATOM 180 N ASN A 12 -13.526 -1.241 3.142 1.00 0.00 N ATOM 181 CA ASN A 12 -13.859 -2.592 3.570 1.00 0.00 C ATOM 182 C ASN A 12 -12.887 -3.036 4.660 1.00 0.00 C ATOM 183 O ASN A 12 -11.876 -2.368 4.893 1.00 0.00 O ATOM 184 CB ASN A 12 -13.709 -3.530 2.360 1.00 0.00 C ATOM 185 CG ASN A 12 -14.169 -4.942 2.686 1.00 0.00 C ATOM 186 OD1 ASN A 12 -13.365 -5.815 3.002 1.00 0.00 O ATOM 187 ND2 ASN A 12 -15.471 -5.133 2.770 1.00 0.00 N ATOM 0 H ASN A 12 -12.539 -1.018 3.268 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.877 -2.621 3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -14.290 -3.141 1.524 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.667 -3.551 2.042 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.835 -6.025 3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.114 -4.389 2.500 1.00 0.00 H new ATOM 194 N HIS A 13 -13.162 -4.171 5.312 1.00 0.00 N ATOM 195 CA HIS A 13 -12.305 -4.752 6.341 1.00 0.00 C ATOM 196 C HIS A 13 -10.899 -5.002 5.758 1.00 0.00 C ATOM 197 O HIS A 13 -9.907 -4.954 6.490 1.00 0.00 O ATOM 198 CB HIS A 13 -12.886 -6.091 6.812 1.00 0.00 C ATOM 199 CG HIS A 13 -14.297 -6.096 7.345 1.00 0.00 C ATOM 200 ND1 HIS A 13 -15.037 -7.235 7.561 1.00 0.00 N ATOM 201 CD2 HIS A 13 -15.065 -5.028 7.730 1.00 0.00 C ATOM 202 CE1 HIS A 13 -16.229 -6.872 8.047 1.00 0.00 C ATOM 203 NE2 HIS A 13 -16.285 -5.537 8.187 1.00 0.00 N ATOM 0 H HIS A 13 -14.004 -4.719 5.133 1.00 0.00 H new ATOM 0 HA HIS A 13 -12.246 -4.061 7.182 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -12.841 -6.788 5.975 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.232 -6.485 7.590 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -14.781 -3.987 7.688 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -17.030 -7.553 8.291 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -17.068 -4.997 8.556 1.00 0.00 H new ATOM 211 N CYS A 14 -10.830 -5.175 4.429 1.00 0.00 N ATOM 212 CA CYS A 14 -9.641 -5.412 3.634 1.00 0.00 C ATOM 213 C CYS A 14 -8.554 -4.368 3.887 1.00 0.00 C ATOM 214 O CYS A 14 -7.394 -4.698 3.692 1.00 0.00 O ATOM 215 CB CYS A 14 -9.984 -5.507 2.140 1.00 0.00 C ATOM 216 SG CYS A 14 -9.239 -7.010 1.450 1.00 0.00 S ATOM 0 H CYS A 14 -11.670 -5.149 3.852 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.234 -6.372 3.951 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.065 -5.527 2.004 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.613 -4.628 1.613 1.00 0.00 H new ATOM 0 HG CYS A 14 -9.528 -7.097 0.186 1.00 0.00 H new ATOM 222 N VAL A 15 -8.883 -3.129 4.286 1.00 0.00 N ATOM 223 CA VAL A 15 -7.878 -2.097 4.570 1.00 0.00 C ATOM 224 C VAL A 15 -6.841 -2.663 5.563 1.00 0.00 C ATOM 225 O VAL A 15 -5.634 -2.522 5.353 1.00 0.00 O ATOM 226 CB VAL A 15 -8.577 -0.825 5.095 1.00 0.00 C ATOM 227 CG1 VAL A 15 -7.583 0.244 5.572 1.00 0.00 C ATOM 228 CG2 VAL A 15 -9.490 -0.206 4.021 1.00 0.00 C ATOM 0 H VAL A 15 -9.845 -2.818 4.419 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.344 -1.815 3.663 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.173 -1.147 5.949 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.130 1.116 5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.975 -0.160 6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.938 0.536 4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.968 0.688 4.421 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.895 0.061 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.254 -0.928 3.733 1.00 0.00 H new ATOM 238 N MET A 16 -7.287 -3.330 6.636 1.00 0.00 N ATOM 239 CA MET A 16 -6.374 -3.915 7.613 1.00 0.00 C ATOM 240 C MET A 16 -5.590 -5.045 6.936 1.00 0.00 C ATOM 241 O MET A 16 -4.377 -5.138 7.118 1.00 0.00 O ATOM 242 CB MET A 16 -7.166 -4.387 8.845 1.00 0.00 C ATOM 243 CG MET A 16 -6.314 -4.835 10.043 1.00 0.00 C ATOM 244 SD MET A 16 -5.274 -6.318 9.873 1.00 0.00 S ATOM 245 CE MET A 16 -6.478 -7.586 9.400 1.00 0.00 C ATOM 0 H MET A 16 -8.275 -3.475 6.845 1.00 0.00 H new ATOM 0 HA MET A 16 -5.654 -3.178 7.969 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.820 -3.577 9.168 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.809 -5.216 8.547 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.662 -4.004 10.314 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.988 -4.999 10.884 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.993 -8.562 9.387 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.296 -7.597 10.120 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.871 -7.363 8.408 1.00 0.00 H new ATOM 255 N ALA A 17 -6.269 -5.887 6.143 1.00 0.00 N ATOM 256 CA ALA A 17 -5.656 -7.004 5.435 1.00 0.00 C ATOM 257 C ALA A 17 -4.500 -6.519 4.555 1.00 0.00 C ATOM 258 O ALA A 17 -3.397 -7.049 4.676 1.00 0.00 O ATOM 259 CB ALA A 17 -6.695 -7.792 4.630 1.00 0.00 C ATOM 0 H ALA A 17 -7.272 -5.804 5.978 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.242 -7.689 6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.205 -8.618 4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.456 -8.185 5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.164 -7.134 3.898 1.00 0.00 H new ATOM 265 N VAL A 18 -4.721 -5.507 3.711 1.00 0.00 N ATOM 266 CA VAL A 18 -3.668 -4.981 2.862 1.00 0.00 C ATOM 267 C VAL A 18 -2.598 -4.340 3.753 1.00 0.00 C ATOM 268 O VAL A 18 -1.424 -4.512 3.471 1.00 0.00 O ATOM 269 CB VAL A 18 -4.219 -4.095 1.722 1.00 0.00 C ATOM 270 CG1 VAL A 18 -4.883 -2.799 2.197 1.00 0.00 C ATOM 271 CG2 VAL A 18 -3.139 -3.774 0.682 1.00 0.00 C ATOM 0 H VAL A 18 -5.622 -5.041 3.603 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.177 -5.785 2.314 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.002 -4.697 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.242 -2.237 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.723 -3.038 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.157 -2.198 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.564 -3.149 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.317 -3.243 1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.766 -4.701 0.246 1.00 0.00 H new ATOM 281 N THR A 19 -2.942 -3.695 4.881 1.00 0.00 N ATOM 282 CA THR A 19 -1.937 -3.094 5.766 1.00 0.00 C ATOM 283 C THR A 19 -0.943 -4.176 6.221 1.00 0.00 C ATOM 284 O THR A 19 0.268 -4.032 6.032 1.00 0.00 O ATOM 285 CB THR A 19 -2.585 -2.387 6.969 1.00 0.00 C ATOM 286 OG1 THR A 19 -3.517 -1.399 6.573 1.00 0.00 O ATOM 287 CG2 THR A 19 -1.523 -1.691 7.828 1.00 0.00 C ATOM 0 H THR A 19 -3.904 -3.578 5.198 1.00 0.00 H new ATOM 0 HA THR A 19 -1.398 -2.328 5.209 1.00 0.00 H new ATOM 0 HB THR A 19 -3.097 -3.166 7.533 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.333 -1.832 6.246 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.004 -1.198 8.673 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.812 -2.430 8.196 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.997 -0.950 7.226 1.00 0.00 H new ATOM 295 N LYS A 20 -1.428 -5.281 6.804 1.00 0.00 N ATOM 296 CA LYS A 20 -0.533 -6.351 7.253 1.00 0.00 C ATOM 297 C LYS A 20 0.192 -6.984 6.060 1.00 0.00 C ATOM 298 O LYS A 20 1.335 -7.413 6.197 1.00 0.00 O ATOM 299 CB LYS A 20 -1.277 -7.402 8.098 1.00 0.00 C ATOM 300 CG LYS A 20 -2.369 -8.137 7.313 1.00 0.00 C ATOM 301 CD LYS A 20 -2.942 -9.358 8.027 1.00 0.00 C ATOM 302 CE LYS A 20 -3.705 -10.217 7.012 1.00 0.00 C ATOM 303 NZ LYS A 20 -2.780 -11.077 6.246 1.00 0.00 N ATOM 0 H LYS A 20 -2.419 -5.454 6.973 1.00 0.00 H new ATOM 0 HA LYS A 20 0.221 -5.908 7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.559 -8.129 8.479 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.725 -6.914 8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.180 -7.440 7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.961 -8.451 6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.140 -9.938 8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.608 -9.046 8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.437 -10.836 7.531 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.259 -9.573 6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.177 -11.260 5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.862 -10.599 6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.649 -11.979 6.747 1.00 0.00 H new ATOM 317 N ALA A 21 -0.447 -7.038 4.888 1.00 0.00 N ATOM 318 CA ALA A 21 0.144 -7.613 3.697 1.00 0.00 C ATOM 319 C ALA A 21 1.296 -6.743 3.202 1.00 0.00 C ATOM 320 O ALA A 21 2.331 -7.284 2.823 1.00 0.00 O ATOM 321 CB ALA A 21 -0.923 -7.816 2.632 1.00 0.00 C ATOM 0 H ALA A 21 -1.392 -6.680 4.748 1.00 0.00 H new ATOM 0 HA ALA A 21 0.560 -8.592 3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.469 -8.249 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.692 -8.489 3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.373 -6.856 2.380 1.00 0.00 H new ATOM 327 N LEU A 22 1.163 -5.414 3.211 1.00 0.00 N ATOM 328 CA LEU A 22 2.200 -4.472 2.790 1.00 0.00 C ATOM 329 C LEU A 22 3.438 -4.753 3.644 1.00 0.00 C ATOM 330 O LEU A 22 4.546 -4.910 3.129 1.00 0.00 O ATOM 331 CB LEU A 22 1.747 -3.014 3.016 1.00 0.00 C ATOM 332 CG LEU A 22 0.683 -2.451 2.053 1.00 0.00 C ATOM 333 CD1 LEU A 22 0.089 -1.157 2.626 1.00 0.00 C ATOM 334 CD2 LEU A 22 1.236 -2.134 0.666 1.00 0.00 C ATOM 0 H LEU A 22 0.307 -4.952 3.520 1.00 0.00 H new ATOM 0 HA LEU A 22 2.407 -4.597 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.360 -2.934 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.627 -2.374 2.959 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.073 -3.230 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.662 -0.766 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.375 -1.365 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.881 -0.419 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.437 -1.742 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.029 -1.391 0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.638 -3.043 0.218 1.00 0.00 H new ATOM 346 N LYS A 23 3.235 -4.899 4.959 1.00 0.00 N ATOM 347 CA LYS A 23 4.286 -5.174 5.931 1.00 0.00 C ATOM 348 C LYS A 23 5.048 -6.498 5.720 1.00 0.00 C ATOM 349 O LYS A 23 6.016 -6.733 6.443 1.00 0.00 O ATOM 350 CB LYS A 23 3.742 -5.062 7.366 1.00 0.00 C ATOM 351 CG LYS A 23 3.394 -3.616 7.772 1.00 0.00 C ATOM 352 CD LYS A 23 3.253 -3.446 9.294 1.00 0.00 C ATOM 353 CE LYS A 23 4.632 -3.544 9.961 1.00 0.00 C ATOM 354 NZ LYS A 23 4.605 -3.358 11.424 1.00 0.00 N ATOM 0 H LYS A 23 2.309 -4.826 5.382 1.00 0.00 H new ATOM 0 HA LYS A 23 5.037 -4.402 5.764 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.851 -5.683 7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.482 -5.459 8.060 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.169 -2.943 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.462 -3.321 7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.798 -2.482 9.520 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.590 -4.213 9.694 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.064 -4.519 9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.291 -2.795 9.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.571 -3.438 11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.222 -2.417 11.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.003 -4.088 11.856 1.00 0.00 H new ATOM 368 N LYS A 24 4.698 -7.366 4.763 1.00 0.00 N ATOM 369 CA LYS A 24 5.413 -8.633 4.538 1.00 0.00 C ATOM 370 C LYS A 24 6.911 -8.472 4.237 1.00 0.00 C ATOM 371 O LYS A 24 7.708 -9.313 4.659 1.00 0.00 O ATOM 372 CB LYS A 24 4.744 -9.427 3.394 1.00 0.00 C ATOM 373 CG LYS A 24 4.924 -8.788 1.999 1.00 0.00 C ATOM 374 CD LYS A 24 4.124 -9.497 0.899 1.00 0.00 C ATOM 375 CE LYS A 24 3.751 -8.516 -0.221 1.00 0.00 C ATOM 376 NZ LYS A 24 2.492 -7.816 0.099 1.00 0.00 N ATOM 0 H LYS A 24 3.917 -7.214 4.125 1.00 0.00 H new ATOM 0 HA LYS A 24 5.345 -9.176 5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.156 -10.436 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.679 -9.521 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.619 -7.742 2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.981 -8.801 1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.711 -10.319 0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.219 -9.932 1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.552 -7.790 -0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.645 -9.054 -1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.543 -6.836 -0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.697 -8.303 -0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.347 -7.815 1.129 1.00 0.00 H new ATOM 390 N VAL A 25 7.292 -7.420 3.502 1.00 0.00 N ATOM 391 CA VAL A 25 8.669 -7.161 3.091 1.00 0.00 C ATOM 392 C VAL A 25 9.602 -7.098 4.306 1.00 0.00 C ATOM 393 O VAL A 25 9.420 -6.222 5.152 1.00 0.00 O ATOM 394 CB VAL A 25 8.750 -5.899 2.215 1.00 0.00 C ATOM 395 CG1 VAL A 25 10.161 -5.717 1.644 1.00 0.00 C ATOM 396 CG2 VAL A 25 7.777 -5.967 1.028 1.00 0.00 C ATOM 0 H VAL A 25 6.635 -6.713 3.172 1.00 0.00 H new ATOM 0 HA VAL A 25 9.012 -7.994 2.477 1.00 0.00 H new ATOM 0 HB VAL A 25 8.487 -5.062 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.191 -4.818 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.875 -5.621 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.421 -6.583 1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.864 -5.058 0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.019 -6.830 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.756 -6.061 1.399 1.00 0.00 H new ATOM 406 N PRO A 26 10.620 -7.966 4.405 1.00 0.00 N ATOM 407 CA PRO A 26 11.532 -7.971 5.539 1.00 0.00 C ATOM 408 C PRO A 26 12.432 -6.736 5.602 1.00 0.00 C ATOM 409 O PRO A 26 12.890 -6.411 6.689 1.00 0.00 O ATOM 410 CB PRO A 26 12.355 -9.253 5.383 1.00 0.00 C ATOM 411 CG PRO A 26 12.360 -9.486 3.883 1.00 0.00 C ATOM 412 CD PRO A 26 10.964 -9.034 3.480 1.00 0.00 C ATOM 0 HA PRO A 26 10.975 -7.942 6.476 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.365 -9.132 5.774 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.903 -10.088 5.918 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.135 -8.905 3.384 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.536 -10.533 3.635 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.948 -8.681 2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.251 -9.856 3.546 1.00 0.00 H new ATOM 420 N GLY A 27 12.651 -6.033 4.483 1.00 0.00 N ATOM 421 CA GLY A 27 13.504 -4.853 4.415 1.00 0.00 C ATOM 422 C GLY A 27 12.781 -3.514 4.547 1.00 0.00 C ATOM 423 O GLY A 27 13.425 -2.491 4.316 1.00 0.00 O ATOM 0 H GLY A 27 12.230 -6.278 3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.253 -4.921 5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.039 -4.866 3.465 1.00 0.00 H new ATOM 427 N VAL A 28 11.465 -3.479 4.793 1.00 0.00 N ATOM 428 CA VAL A 28 10.742 -2.209 4.932 1.00 0.00 C ATOM 429 C VAL A 28 10.249 -2.064 6.370 1.00 0.00 C ATOM 430 O VAL A 28 10.701 -1.192 7.106 1.00 0.00 O ATOM 431 CB VAL A 28 9.611 -2.186 3.884 1.00 0.00 C ATOM 432 CG1 VAL A 28 8.651 -1.006 4.040 1.00 0.00 C ATOM 433 CG2 VAL A 28 10.158 -2.152 2.449 1.00 0.00 C ATOM 0 H VAL A 28 10.883 -4.310 4.899 1.00 0.00 H new ATOM 0 HA VAL A 28 11.384 -1.349 4.741 1.00 0.00 H new ATOM 0 HB VAL A 28 9.063 -3.111 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.883 -1.057 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.181 -1.047 5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.204 -0.072 3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.327 -2.137 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.767 -1.258 2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.769 -3.037 2.271 1.00 0.00 H new ATOM 443 N GLU A 29 9.433 -3.012 6.821 1.00 0.00 N ATOM 444 CA GLU A 29 8.829 -3.127 8.144 1.00 0.00 C ATOM 445 C GLU A 29 7.960 -1.935 8.599 1.00 0.00 C ATOM 446 O GLU A 29 7.348 -2.027 9.667 1.00 0.00 O ATOM 447 CB GLU A 29 9.899 -3.560 9.164 1.00 0.00 C ATOM 448 CG GLU A 29 10.662 -4.805 8.672 1.00 0.00 C ATOM 449 CD GLU A 29 11.604 -5.368 9.729 1.00 0.00 C ATOM 450 OE1 GLU A 29 11.129 -6.209 10.536 1.00 0.00 O ATOM 451 OE2 GLU A 29 12.798 -4.997 9.741 1.00 0.00 O ATOM 0 H GLU A 29 9.154 -3.786 6.218 1.00 0.00 H new ATOM 0 HA GLU A 29 8.077 -3.913 8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.600 -2.742 9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.427 -3.774 10.123 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.947 -5.574 8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.234 -4.548 7.780 1.00 0.00 H new ATOM 458 N LYS A 30 7.775 -0.876 7.796 1.00 0.00 N ATOM 459 CA LYS A 30 6.975 0.298 8.160 1.00 0.00 C ATOM 460 C LYS A 30 6.145 0.780 6.968 1.00 0.00 C ATOM 461 O LYS A 30 6.678 1.378 6.031 1.00 0.00 O ATOM 462 CB LYS A 30 7.943 1.363 8.710 1.00 0.00 C ATOM 463 CG LYS A 30 7.390 2.365 9.733 1.00 0.00 C ATOM 464 CD LYS A 30 6.258 3.285 9.249 1.00 0.00 C ATOM 465 CE LYS A 30 4.845 2.769 9.549 1.00 0.00 C ATOM 466 NZ LYS A 30 4.599 2.635 10.999 1.00 0.00 N ATOM 0 H LYS A 30 8.183 -0.813 6.863 1.00 0.00 H new ATOM 0 HA LYS A 30 6.245 0.060 8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.786 0.846 9.168 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.336 1.928 7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.030 1.807 10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.214 2.990 10.078 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.379 4.264 9.713 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.358 3.427 8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.112 3.451 9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.703 1.802 9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.575 2.653 11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.995 1.735 11.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.053 3.423 11.503 1.00 0.00 H new ATOM 480 N VAL A 31 4.839 0.491 6.986 1.00 0.00 N ATOM 481 CA VAL A 31 3.899 0.883 5.940 1.00 0.00 C ATOM 482 C VAL A 31 2.540 1.172 6.581 1.00 0.00 C ATOM 483 O VAL A 31 2.162 0.482 7.526 1.00 0.00 O ATOM 484 CB VAL A 31 3.732 -0.219 4.859 1.00 0.00 C ATOM 485 CG1 VAL A 31 3.440 0.471 3.519 1.00 0.00 C ATOM 486 CG2 VAL A 31 4.914 -1.189 4.699 1.00 0.00 C ATOM 0 H VAL A 31 4.401 -0.032 7.744 1.00 0.00 H new ATOM 0 HA VAL A 31 4.295 1.771 5.446 1.00 0.00 H new ATOM 0 HB VAL A 31 2.910 -0.852 5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.318 -0.282 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.525 1.057 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.270 1.129 3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.686 -1.914 3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.809 -0.630 4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.086 -1.712 5.640 1.00 0.00 H new ATOM 496 N GLU A 32 1.840 2.213 6.124 1.00 0.00 N ATOM 497 CA GLU A 32 0.512 2.602 6.603 1.00 0.00 C ATOM 498 C GLU A 32 -0.306 3.132 5.424 1.00 0.00 C ATOM 499 O GLU A 32 0.265 3.763 4.539 1.00 0.00 O ATOM 500 CB GLU A 32 0.564 3.632 7.747 1.00 0.00 C ATOM 501 CG GLU A 32 -0.867 4.126 8.041 1.00 0.00 C ATOM 502 CD GLU A 32 -1.071 4.954 9.297 1.00 0.00 C ATOM 503 OE1 GLU A 32 -0.226 5.830 9.574 1.00 0.00 O ATOM 504 OE2 GLU A 32 -2.143 4.759 9.926 1.00 0.00 O ATOM 0 H GLU A 32 2.192 2.826 5.389 1.00 0.00 H new ATOM 0 HA GLU A 32 0.033 1.717 7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.998 3.182 8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.203 4.471 7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.202 4.717 7.189 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.519 3.255 8.101 1.00 0.00 H new ATOM 511 N VAL A 33 -1.614 2.866 5.396 1.00 0.00 N ATOM 512 CA VAL A 33 -2.570 3.313 4.390 1.00 0.00 C ATOM 513 C VAL A 33 -3.713 4.060 5.104 1.00 0.00 C ATOM 514 O VAL A 33 -4.044 3.749 6.257 1.00 0.00 O ATOM 515 CB VAL A 33 -3.024 2.135 3.491 1.00 0.00 C ATOM 516 CG1 VAL A 33 -3.543 0.923 4.277 1.00 0.00 C ATOM 517 CG2 VAL A 33 -4.088 2.542 2.458 1.00 0.00 C ATOM 0 H VAL A 33 -2.056 2.299 6.119 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.111 4.017 3.696 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.112 1.844 2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.842 0.139 3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.755 0.548 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.401 1.220 4.879 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.365 1.674 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.969 2.923 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.685 3.318 1.807 1.00 0.00 H new ATOM 527 N SER A 34 -4.253 5.116 4.493 1.00 0.00 N ATOM 528 CA SER A 34 -5.373 5.887 5.023 1.00 0.00 C ATOM 529 C SER A 34 -6.576 5.435 4.193 1.00 0.00 C ATOM 530 O SER A 34 -6.562 5.642 2.983 1.00 0.00 O ATOM 531 CB SER A 34 -5.158 7.399 4.826 1.00 0.00 C ATOM 532 OG SER A 34 -3.970 7.906 5.409 1.00 0.00 O ATOM 0 H SER A 34 -3.914 5.465 3.596 1.00 0.00 H new ATOM 0 HA SER A 34 -5.498 5.723 6.093 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.144 7.615 3.758 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.010 7.932 5.247 1.00 0.00 H new ATOM 0 HG SER A 34 -3.907 8.869 5.238 1.00 0.00 H new ATOM 538 N LEU A 35 -7.612 4.835 4.788 1.00 0.00 N ATOM 539 CA LEU A 35 -8.789 4.398 4.018 1.00 0.00 C ATOM 540 C LEU A 35 -9.569 5.584 3.467 1.00 0.00 C ATOM 541 O LEU A 35 -10.192 5.493 2.407 1.00 0.00 O ATOM 542 CB LEU A 35 -9.711 3.501 4.866 1.00 0.00 C ATOM 543 CG LEU A 35 -10.368 4.134 6.117 1.00 0.00 C ATOM 544 CD1 LEU A 35 -11.743 4.769 5.852 1.00 0.00 C ATOM 545 CD2 LEU A 35 -10.545 3.066 7.205 1.00 0.00 C ATOM 0 H LEU A 35 -7.664 4.641 5.788 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.420 3.813 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.506 3.129 4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.133 2.636 5.191 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.694 4.931 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.134 5.189 6.778 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.641 5.560 5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.430 4.008 5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.008 3.515 8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.182 2.265 6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.571 2.658 7.476 1.00 0.00 H new ATOM 557 N GLU A 36 -9.512 6.695 4.198 1.00 0.00 N ATOM 558 CA GLU A 36 -10.192 7.936 3.893 1.00 0.00 C ATOM 559 C GLU A 36 -9.576 8.588 2.659 1.00 0.00 C ATOM 560 O GLU A 36 -10.252 8.794 1.655 1.00 0.00 O ATOM 561 CB GLU A 36 -10.062 8.846 5.124 1.00 0.00 C ATOM 562 CG GLU A 36 -10.835 8.311 6.339 1.00 0.00 C ATOM 563 CD GLU A 36 -10.386 8.999 7.622 1.00 0.00 C ATOM 564 OE1 GLU A 36 -10.661 10.214 7.771 1.00 0.00 O ATOM 565 OE2 GLU A 36 -9.729 8.342 8.471 1.00 0.00 O ATOM 0 H GLU A 36 -8.964 6.749 5.056 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.244 7.758 3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.009 8.949 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.428 9.842 4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.903 8.470 6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.681 7.235 6.427 1.00 0.00 H new ATOM 572 N LYS A 37 -8.270 8.861 2.708 1.00 0.00 N ATOM 573 CA LYS A 37 -7.567 9.503 1.603 1.00 0.00 C ATOM 574 C LYS A 37 -7.122 8.560 0.499 1.00 0.00 C ATOM 575 O LYS A 37 -6.914 9.026 -0.617 1.00 0.00 O ATOM 576 CB LYS A 37 -6.338 10.250 2.125 1.00 0.00 C ATOM 577 CG LYS A 37 -6.697 11.360 3.117 1.00 0.00 C ATOM 578 CD LYS A 37 -5.415 12.100 3.480 1.00 0.00 C ATOM 579 CE LYS A 37 -5.685 13.228 4.467 1.00 0.00 C ATOM 580 NZ LYS A 37 -4.479 14.058 4.637 1.00 0.00 N ATOM 0 H LYS A 37 -7.677 8.644 3.509 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.296 10.183 1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.665 9.541 2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.796 10.682 1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.421 12.045 2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.159 10.939 4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.699 11.400 3.912 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.959 12.506 2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.511 13.843 4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.989 12.814 5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.677 14.824 5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.701 13.470 4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.207 14.467 3.720 1.00 0.00 H new ATOM 594 N GLY A 38 -6.956 7.272 0.783 1.00 0.00 N ATOM 595 CA GLY A 38 -6.511 6.287 -0.187 1.00 0.00 C ATOM 596 C GLY A 38 -4.993 6.335 -0.404 1.00 0.00 C ATOM 597 O GLY A 38 -4.499 5.733 -1.350 1.00 0.00 O ATOM 0 H GLY A 38 -7.131 6.881 1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.797 5.291 0.151 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.018 6.459 -1.136 1.00 0.00 H new ATOM 601 N GLU A 39 -4.224 7.083 0.392 1.00 0.00 N ATOM 602 CA GLU A 39 -2.771 7.143 0.233 1.00 0.00 C ATOM 603 C GLU A 39 -2.123 6.093 1.134 1.00 0.00 C ATOM 604 O GLU A 39 -2.738 5.656 2.110 1.00 0.00 O ATOM 605 CB GLU A 39 -2.244 8.545 0.570 1.00 0.00 C ATOM 606 CG GLU A 39 -2.324 8.897 2.064 1.00 0.00 C ATOM 607 CD GLU A 39 -1.813 10.311 2.305 1.00 0.00 C ATOM 608 OE1 GLU A 39 -0.588 10.524 2.444 1.00 0.00 O ATOM 609 OE2 GLU A 39 -2.636 11.252 2.310 1.00 0.00 O ATOM 0 H GLU A 39 -4.586 7.656 1.154 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.515 6.934 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.207 8.621 0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.811 9.282 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.354 8.812 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.734 8.187 2.643 1.00 0.00 H new ATOM 616 N ALA A 40 -0.873 5.726 0.850 1.00 0.00 N ATOM 617 CA ALA A 40 -0.111 4.762 1.618 1.00 0.00 C ATOM 618 C ALA A 40 1.342 5.205 1.703 1.00 0.00 C ATOM 619 O ALA A 40 2.021 5.310 0.681 1.00 0.00 O ATOM 620 CB ALA A 40 -0.231 3.359 1.023 1.00 0.00 C ATOM 0 H ALA A 40 -0.356 6.106 0.057 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.521 4.717 2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.352 2.659 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.277 3.052 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.147 3.364 0.001 1.00 0.00 H new ATOM 626 N LEU A 41 1.816 5.507 2.907 1.00 0.00 N ATOM 627 CA LEU A 41 3.182 5.934 3.171 1.00 0.00 C ATOM 628 C LEU A 41 4.020 4.697 3.475 1.00 0.00 C ATOM 629 O LEU A 41 3.549 3.799 4.186 1.00 0.00 O ATOM 630 CB LEU A 41 3.243 6.869 4.391 1.00 0.00 C ATOM 631 CG LEU A 41 2.581 8.247 4.200 1.00 0.00 C ATOM 632 CD1 LEU A 41 1.083 8.235 4.529 1.00 0.00 C ATOM 633 CD2 LEU A 41 3.286 9.274 5.091 1.00 0.00 C ATOM 0 H LEU A 41 1.243 5.460 3.749 1.00 0.00 H new ATOM 0 HA LEU A 41 3.558 6.468 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.767 6.370 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.288 7.021 4.659 1.00 0.00 H new ATOM 0 HG LEU A 41 2.680 8.512 3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.669 9.232 4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.573 7.527 3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.941 7.938 5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.821 10.251 4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.201 8.970 6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.339 9.333 4.815 1.00 0.00 H new ATOM 645 N VAL A 42 5.254 4.663 2.969 1.00 0.00 N ATOM 646 CA VAL A 42 6.192 3.571 3.179 1.00 0.00 C ATOM 647 C VAL A 42 7.543 4.162 3.546 1.00 0.00 C ATOM 648 O VAL A 42 7.976 5.182 2.995 1.00 0.00 O ATOM 649 CB VAL A 42 6.279 2.643 1.948 1.00 0.00 C ATOM 650 CG1 VAL A 42 6.992 3.268 0.748 1.00 0.00 C ATOM 651 CG2 VAL A 42 6.992 1.328 2.266 1.00 0.00 C ATOM 0 H VAL A 42 5.632 5.413 2.390 1.00 0.00 H new ATOM 0 HA VAL A 42 5.841 2.942 3.997 1.00 0.00 H new ATOM 0 HB VAL A 42 5.236 2.465 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.012 2.554 -0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.460 4.167 0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.013 3.529 1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.029 0.708 1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.007 1.537 2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.449 0.800 3.050 1.00 0.00 H new ATOM 661 N GLU A 43 8.214 3.486 4.464 1.00 0.00 N ATOM 662 CA GLU A 43 9.521 3.851 4.942 1.00 0.00 C ATOM 663 C GLU A 43 10.301 2.543 4.834 1.00 0.00 C ATOM 664 O GLU A 43 10.113 1.627 5.635 1.00 0.00 O ATOM 665 CB GLU A 43 9.329 4.446 6.346 1.00 0.00 C ATOM 666 CG GLU A 43 10.647 4.623 7.085 1.00 0.00 C ATOM 667 CD GLU A 43 10.510 5.345 8.420 1.00 0.00 C ATOM 668 OE1 GLU A 43 9.392 5.501 8.960 1.00 0.00 O ATOM 669 OE2 GLU A 43 11.542 5.882 8.880 1.00 0.00 O ATOM 0 H GLU A 43 7.846 2.644 4.905 1.00 0.00 H new ATOM 0 HA GLU A 43 10.075 4.618 4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.829 5.411 6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.674 3.796 6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.091 3.643 7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.337 5.179 6.451 1.00 0.00 H new ATOM 676 N GLY A 44 11.157 2.453 3.817 1.00 0.00 N ATOM 677 CA GLY A 44 11.990 1.306 3.506 1.00 0.00 C ATOM 678 C GLY A 44 12.541 1.444 2.088 1.00 0.00 C ATOM 679 O GLY A 44 12.241 2.419 1.392 1.00 0.00 O ATOM 0 H GLY A 44 11.290 3.220 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.810 1.235 4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.410 0.388 3.594 1.00 0.00 H new ATOM 683 N THR A 45 13.280 0.438 1.621 1.00 0.00 N ATOM 684 CA THR A 45 13.923 0.407 0.307 1.00 0.00 C ATOM 685 C THR A 45 13.179 -0.365 -0.802 1.00 0.00 C ATOM 686 O THR A 45 13.781 -0.607 -1.851 1.00 0.00 O ATOM 687 CB THR A 45 15.336 -0.170 0.517 1.00 0.00 C ATOM 688 OG1 THR A 45 15.284 -1.377 1.251 1.00 0.00 O ATOM 689 CG2 THR A 45 16.261 0.761 1.292 1.00 0.00 C ATOM 0 H THR A 45 13.454 -0.407 2.166 1.00 0.00 H new ATOM 0 HA THR A 45 13.929 1.429 -0.071 1.00 0.00 H new ATOM 0 HB THR A 45 15.728 -0.318 -0.489 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.192 -1.726 1.371 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.239 0.292 1.404 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.369 1.701 0.750 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.838 0.957 2.277 1.00 0.00 H new ATOM 697 N ALA A 46 11.921 -0.787 -0.619 1.00 0.00 N ATOM 698 CA ALA A 46 11.207 -1.539 -1.655 1.00 0.00 C ATOM 699 C ALA A 46 11.125 -0.778 -2.985 1.00 0.00 C ATOM 700 O ALA A 46 10.947 0.445 -3.028 1.00 0.00 O ATOM 701 CB ALA A 46 9.809 -1.930 -1.178 1.00 0.00 C ATOM 0 H ALA A 46 11.381 -0.621 0.231 1.00 0.00 H new ATOM 0 HA ALA A 46 11.786 -2.444 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.299 -2.487 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.889 -2.552 -0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.240 -1.031 -0.943 1.00 0.00 H new ATOM 707 N ASP A 47 11.235 -1.515 -4.087 1.00 0.00 N ATOM 708 CA ASP A 47 11.178 -0.972 -5.443 1.00 0.00 C ATOM 709 C ASP A 47 9.740 -0.568 -5.785 1.00 0.00 C ATOM 710 O ASP A 47 8.802 -1.196 -5.286 1.00 0.00 O ATOM 711 CB ASP A 47 11.645 -2.025 -6.456 1.00 0.00 C ATOM 712 CG ASP A 47 13.142 -2.274 -6.367 1.00 0.00 C ATOM 713 OD1 ASP A 47 13.914 -1.523 -6.997 1.00 0.00 O ATOM 714 OD2 ASP A 47 13.550 -3.223 -5.662 1.00 0.00 O ATOM 0 H ASP A 47 11.369 -2.526 -4.063 1.00 0.00 H new ATOM 0 HA ASP A 47 11.831 -0.100 -5.491 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.111 -2.959 -6.281 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.391 -1.697 -7.464 1.00 0.00 H new ATOM 719 N PRO A 48 9.523 0.414 -6.680 1.00 0.00 N ATOM 720 CA PRO A 48 8.179 0.837 -7.053 1.00 0.00 C ATOM 721 C PRO A 48 7.415 -0.321 -7.701 1.00 0.00 C ATOM 722 O PRO A 48 6.295 -0.621 -7.286 1.00 0.00 O ATOM 723 CB PRO A 48 8.357 2.036 -7.987 1.00 0.00 C ATOM 724 CG PRO A 48 9.782 1.898 -8.516 1.00 0.00 C ATOM 725 CD PRO A 48 10.520 1.227 -7.358 1.00 0.00 C ATOM 0 HA PRO A 48 7.580 1.129 -6.190 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.629 2.019 -8.798 1.00 0.00 H new ATOM 0 HB3 PRO A 48 8.220 2.978 -7.455 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.819 1.293 -9.422 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.216 2.867 -8.763 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.345 0.614 -7.721 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.947 1.968 -6.683 1.00 0.00 H new ATOM 733 N LYS A 49 8.037 -1.016 -8.666 1.00 0.00 N ATOM 734 CA LYS A 49 7.412 -2.149 -9.344 1.00 0.00 C ATOM 735 C LYS A 49 6.980 -3.223 -8.351 1.00 0.00 C ATOM 736 O LYS A 49 5.923 -3.835 -8.528 1.00 0.00 O ATOM 737 CB LYS A 49 8.314 -2.718 -10.462 1.00 0.00 C ATOM 738 CG LYS A 49 9.785 -3.109 -10.164 1.00 0.00 C ATOM 739 CD LYS A 49 10.100 -4.474 -9.519 1.00 0.00 C ATOM 740 CE LYS A 49 9.463 -5.688 -10.205 1.00 0.00 C ATOM 741 NZ LYS A 49 10.080 -6.051 -11.494 1.00 0.00 N ATOM 0 H LYS A 49 8.980 -0.806 -8.992 1.00 0.00 H new ATOM 0 HA LYS A 49 6.508 -1.781 -9.830 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.818 -3.606 -10.855 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.333 -1.982 -11.266 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.331 -3.061 -11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.201 -2.339 -9.514 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.181 -4.610 -9.507 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.771 -4.451 -8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.524 -6.544 -9.533 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.404 -5.485 -10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.593 -6.879 -11.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.999 -5.252 -12.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.084 -6.278 -11.347 1.00 0.00 H new ATOM 755 N ALA A 50 7.805 -3.452 -7.328 1.00 0.00 N ATOM 756 CA ALA A 50 7.563 -4.440 -6.301 1.00 0.00 C ATOM 757 C ALA A 50 6.309 -4.078 -5.520 1.00 0.00 C ATOM 758 O ALA A 50 5.408 -4.901 -5.434 1.00 0.00 O ATOM 759 CB ALA A 50 8.791 -4.569 -5.394 1.00 0.00 C ATOM 0 H ALA A 50 8.677 -2.939 -7.197 1.00 0.00 H new ATOM 0 HA ALA A 50 7.395 -5.414 -6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.598 -5.316 -4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.652 -4.875 -5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.998 -3.608 -4.923 1.00 0.00 H new ATOM 765 N LEU A 51 6.239 -2.857 -4.985 1.00 0.00 N ATOM 766 CA LEU A 51 5.096 -2.380 -4.208 1.00 0.00 C ATOM 767 C LEU A 51 3.793 -2.487 -5.006 1.00 0.00 C ATOM 768 O LEU A 51 2.813 -3.066 -4.531 1.00 0.00 O ATOM 769 CB LEU A 51 5.320 -0.915 -3.793 1.00 0.00 C ATOM 770 CG LEU A 51 6.444 -0.675 -2.771 1.00 0.00 C ATOM 771 CD1 LEU A 51 6.697 0.830 -2.646 1.00 0.00 C ATOM 772 CD2 LEU A 51 6.069 -1.217 -1.391 1.00 0.00 C ATOM 0 H LEU A 51 6.983 -2.166 -5.081 1.00 0.00 H new ATOM 0 HA LEU A 51 5.009 -3.009 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.538 -0.332 -4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.389 -0.528 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 51 7.336 -1.194 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.493 1.006 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.992 1.231 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.786 1.326 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.885 -1.031 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.167 -0.717 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.887 -2.290 -1.459 1.00 0.00 H new ATOM 784 N VAL A 52 3.795 -1.919 -6.214 1.00 0.00 N ATOM 785 CA VAL A 52 2.647 -1.911 -7.107 1.00 0.00 C ATOM 786 C VAL A 52 2.139 -3.333 -7.341 1.00 0.00 C ATOM 787 O VAL A 52 0.980 -3.602 -7.026 1.00 0.00 O ATOM 788 CB VAL A 52 2.989 -1.132 -8.395 1.00 0.00 C ATOM 789 CG1 VAL A 52 1.920 -1.296 -9.481 1.00 0.00 C ATOM 790 CG2 VAL A 52 3.139 0.363 -8.066 1.00 0.00 C ATOM 0 H VAL A 52 4.611 -1.445 -6.600 1.00 0.00 H new ATOM 0 HA VAL A 52 1.813 -1.381 -6.648 1.00 0.00 H new ATOM 0 HB VAL A 52 3.923 -1.541 -8.781 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.209 -0.728 -10.365 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.825 -2.350 -9.742 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.964 -0.927 -9.109 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.381 0.913 -8.975 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.204 0.740 -7.651 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.939 0.497 -7.338 1.00 0.00 H new ATOM 800 N GLN A 53 2.978 -4.248 -7.848 1.00 0.00 N ATOM 801 CA GLN A 53 2.507 -5.607 -8.087 1.00 0.00 C ATOM 802 C GLN A 53 2.132 -6.284 -6.772 1.00 0.00 C ATOM 803 O GLN A 53 1.177 -7.045 -6.751 1.00 0.00 O ATOM 804 CB GLN A 53 3.518 -6.428 -8.896 1.00 0.00 C ATOM 805 CG GLN A 53 3.047 -7.849 -9.280 1.00 0.00 C ATOM 806 CD GLN A 53 1.718 -7.940 -10.042 1.00 0.00 C ATOM 807 OE1 GLN A 53 0.966 -8.901 -9.887 1.00 0.00 O ATOM 808 NE2 GLN A 53 1.413 -6.976 -10.895 1.00 0.00 N ATOM 0 H GLN A 53 3.953 -4.075 -8.092 1.00 0.00 H new ATOM 0 HA GLN A 53 1.605 -5.549 -8.697 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.759 -5.883 -9.808 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.440 -6.510 -8.321 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.823 -8.314 -9.888 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.960 -8.439 -8.368 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.044 -6.184 -11.016 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.547 -7.025 -11.432 1.00 0.00 H new ATOM 817 N ALA A 54 2.843 -6.030 -5.671 1.00 0.00 N ATOM 818 CA ALA A 54 2.520 -6.640 -4.391 1.00 0.00 C ATOM 819 C ALA A 54 1.083 -6.311 -3.994 1.00 0.00 C ATOM 820 O ALA A 54 0.410 -7.187 -3.451 1.00 0.00 O ATOM 821 CB ALA A 54 3.509 -6.206 -3.314 1.00 0.00 C ATOM 0 H ALA A 54 3.647 -5.403 -5.646 1.00 0.00 H new ATOM 0 HA ALA A 54 2.603 -7.722 -4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.245 -6.676 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.516 -6.509 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.474 -5.122 -3.203 1.00 0.00 H new ATOM 827 N VAL A 55 0.611 -5.082 -4.212 1.00 0.00 N ATOM 828 CA VAL A 55 -0.776 -4.755 -3.869 1.00 0.00 C ATOM 829 C VAL A 55 -1.720 -5.313 -4.952 1.00 0.00 C ATOM 830 O VAL A 55 -2.810 -5.787 -4.625 1.00 0.00 O ATOM 831 CB VAL A 55 -0.928 -3.245 -3.642 1.00 0.00 C ATOM 832 CG1 VAL A 55 -2.375 -2.876 -3.282 1.00 0.00 C ATOM 833 CG2 VAL A 55 -0.030 -2.771 -2.489 1.00 0.00 C ATOM 0 H VAL A 55 1.150 -4.315 -4.613 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.056 -5.230 -2.929 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.640 -2.760 -4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.448 -1.799 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.039 -3.172 -4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.666 -3.394 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.156 -1.698 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.308 -3.293 -1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.012 -2.986 -2.727 1.00 0.00 H new ATOM 843 N GLU A 56 -1.298 -5.311 -6.221 1.00 0.00 N ATOM 844 CA GLU A 56 -2.089 -5.827 -7.339 1.00 0.00 C ATOM 845 C GLU A 56 -2.380 -7.320 -7.161 1.00 0.00 C ATOM 846 O GLU A 56 -3.423 -7.805 -7.595 1.00 0.00 O ATOM 847 CB GLU A 56 -1.357 -5.540 -8.654 1.00 0.00 C ATOM 848 CG GLU A 56 -2.212 -5.840 -9.889 1.00 0.00 C ATOM 849 CD GLU A 56 -1.595 -5.189 -11.123 1.00 0.00 C ATOM 850 OE1 GLU A 56 -1.747 -3.961 -11.300 1.00 0.00 O ATOM 851 OE2 GLU A 56 -0.921 -5.871 -11.933 1.00 0.00 O ATOM 0 H GLU A 56 -0.388 -4.947 -6.502 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.054 -5.320 -7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.053 -4.493 -8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.446 -6.137 -8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.288 -6.917 -10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.225 -5.467 -9.739 1.00 0.00 H new ATOM 858 N GLU A 57 -1.504 -8.036 -6.447 1.00 0.00 N ATOM 859 CA GLU A 57 -1.622 -9.457 -6.150 1.00 0.00 C ATOM 860 C GLU A 57 -2.851 -9.751 -5.283 1.00 0.00 C ATOM 861 O GLU A 57 -3.225 -10.917 -5.159 1.00 0.00 O ATOM 862 CB GLU A 57 -0.330 -9.968 -5.491 1.00 0.00 C ATOM 863 CG GLU A 57 0.811 -10.166 -6.495 1.00 0.00 C ATOM 864 CD GLU A 57 0.738 -11.509 -7.219 1.00 0.00 C ATOM 865 OE1 GLU A 57 -0.294 -11.822 -7.849 1.00 0.00 O ATOM 866 OE2 GLU A 57 1.769 -12.226 -7.224 1.00 0.00 O ATOM 0 H GLU A 57 -0.663 -7.620 -6.047 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.764 -9.993 -7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.014 -9.261 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.533 -10.913 -4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.786 -9.361 -7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.765 -10.092 -5.973 1.00 0.00 H new ATOM 873 N GLU A 58 -3.492 -8.724 -4.721 1.00 0.00 N ATOM 874 CA GLU A 58 -4.680 -8.816 -3.881 1.00 0.00 C ATOM 875 C GLU A 58 -5.918 -8.264 -4.609 1.00 0.00 C ATOM 876 O GLU A 58 -7.018 -8.293 -4.052 1.00 0.00 O ATOM 877 CB GLU A 58 -4.443 -8.046 -2.575 1.00 0.00 C ATOM 878 CG GLU A 58 -3.210 -8.529 -1.797 1.00 0.00 C ATOM 879 CD GLU A 58 -2.907 -7.645 -0.589 1.00 0.00 C ATOM 880 OE1 GLU A 58 -3.853 -7.134 0.054 1.00 0.00 O ATOM 881 OE2 GLU A 58 -1.693 -7.490 -0.307 1.00 0.00 O ATOM 0 H GLU A 58 -3.179 -7.761 -4.848 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.867 -9.866 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.328 -6.986 -2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.324 -8.142 -1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.372 -9.554 -1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.346 -8.542 -2.461 1.00 0.00 H new ATOM 888 N GLY A 59 -5.762 -7.744 -5.831 1.00 0.00 N ATOM 889 CA GLY A 59 -6.825 -7.177 -6.656 1.00 0.00 C ATOM 890 C GLY A 59 -7.000 -5.666 -6.484 1.00 0.00 C ATOM 891 O GLY A 59 -7.808 -5.062 -7.197 1.00 0.00 O ATOM 0 H GLY A 59 -4.851 -7.707 -6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.613 -7.392 -7.703 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.765 -7.672 -6.412 1.00 0.00 H new ATOM 895 N TYR A 60 -6.318 -5.046 -5.517 1.00 0.00 N ATOM 896 CA TYR A 60 -6.397 -3.605 -5.287 1.00 0.00 C ATOM 897 C TYR A 60 -5.509 -2.901 -6.325 1.00 0.00 C ATOM 898 O TYR A 60 -4.585 -3.508 -6.861 1.00 0.00 O ATOM 899 CB TYR A 60 -6.041 -3.291 -3.832 1.00 0.00 C ATOM 900 CG TYR A 60 -7.253 -3.269 -2.918 1.00 0.00 C ATOM 901 CD1 TYR A 60 -7.864 -4.469 -2.503 1.00 0.00 C ATOM 902 CD2 TYR A 60 -7.789 -2.035 -2.500 1.00 0.00 C ATOM 903 CE1 TYR A 60 -8.986 -4.438 -1.652 1.00 0.00 C ATOM 904 CE2 TYR A 60 -8.898 -1.998 -1.641 1.00 0.00 C ATOM 905 CZ TYR A 60 -9.498 -3.199 -1.205 1.00 0.00 C ATOM 906 OH TYR A 60 -10.578 -3.155 -0.377 1.00 0.00 O ATOM 0 H TYR A 60 -5.695 -5.532 -4.872 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.410 -3.227 -5.425 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.332 -4.034 -3.468 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.540 -2.324 -3.786 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.470 -5.417 -2.839 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.344 -1.112 -2.843 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.455 -5.360 -1.341 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.293 -1.048 -1.313 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.793 -2.222 -0.169 1.00 0.00 H new ATOM 916 N LYS A 61 -5.756 -1.618 -6.607 1.00 0.00 N ATOM 917 CA LYS A 61 -5.001 -0.867 -7.611 1.00 0.00 C ATOM 918 C LYS A 61 -4.096 0.192 -7.013 1.00 0.00 C ATOM 919 O LYS A 61 -4.536 1.295 -6.663 1.00 0.00 O ATOM 920 CB LYS A 61 -5.972 -0.247 -8.604 1.00 0.00 C ATOM 921 CG LYS A 61 -6.551 -1.322 -9.529 1.00 0.00 C ATOM 922 CD LYS A 61 -7.630 -0.713 -10.411 1.00 0.00 C ATOM 923 CE LYS A 61 -7.102 0.407 -11.311 1.00 0.00 C ATOM 924 NZ LYS A 61 -8.190 1.056 -12.057 1.00 0.00 N ATOM 0 H LYS A 61 -6.484 -1.073 -6.146 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.340 -1.570 -8.118 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.779 0.254 -8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.461 0.513 -9.195 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.760 -1.748 -10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.968 -2.137 -8.938 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.069 -1.494 -11.031 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.428 -0.320 -9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.583 1.149 -10.704 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.372 -0.000 -12.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.798 1.810 -12.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.669 0.352 -12.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.873 1.466 -11.388 1.00 0.00 H new ATOM 938 N ALA A 62 -2.821 -0.165 -6.917 1.00 0.00 N ATOM 939 CA ALA A 62 -1.790 0.693 -6.381 1.00 0.00 C ATOM 940 C ALA A 62 -0.955 1.305 -7.496 1.00 0.00 C ATOM 941 O ALA A 62 -0.752 0.672 -8.531 1.00 0.00 O ATOM 942 CB ALA A 62 -0.870 -0.159 -5.513 1.00 0.00 C ATOM 0 H ALA A 62 -2.476 -1.077 -7.217 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.258 1.495 -5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.081 0.467 -5.096 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.446 -0.606 -4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.425 -0.948 -6.120 1.00 0.00 H new ATOM 948 N GLU A 63 -0.409 2.494 -7.266 1.00 0.00 N ATOM 949 CA GLU A 63 0.452 3.202 -8.203 1.00 0.00 C ATOM 950 C GLU A 63 1.322 4.124 -7.351 1.00 0.00 C ATOM 951 O GLU A 63 0.783 4.854 -6.517 1.00 0.00 O ATOM 952 CB GLU A 63 -0.364 3.970 -9.259 1.00 0.00 C ATOM 953 CG GLU A 63 0.543 4.285 -10.460 1.00 0.00 C ATOM 954 CD GLU A 63 -0.162 5.010 -11.613 1.00 0.00 C ATOM 955 OE1 GLU A 63 -1.258 4.588 -12.051 1.00 0.00 O ATOM 956 OE2 GLU A 63 0.444 5.967 -12.155 1.00 0.00 O ATOM 0 H GLU A 63 -0.558 3.006 -6.396 1.00 0.00 H new ATOM 0 HA GLU A 63 1.069 2.513 -8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.220 3.376 -9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.758 4.892 -8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.378 4.897 -10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.964 3.353 -10.836 1.00 0.00 H new ATOM 963 N VAL A 64 2.655 4.050 -7.456 1.00 0.00 N ATOM 964 CA VAL A 64 3.512 4.930 -6.657 1.00 0.00 C ATOM 965 C VAL A 64 3.213 6.395 -6.992 1.00 0.00 C ATOM 966 O VAL A 64 2.720 6.701 -8.079 1.00 0.00 O ATOM 967 CB VAL A 64 5.012 4.610 -6.811 1.00 0.00 C ATOM 968 CG1 VAL A 64 5.384 3.320 -6.068 1.00 0.00 C ATOM 969 CG2 VAL A 64 5.462 4.508 -8.271 1.00 0.00 C ATOM 0 H VAL A 64 3.153 3.406 -8.071 1.00 0.00 H new ATOM 0 HA VAL A 64 3.277 4.750 -5.608 1.00 0.00 H new ATOM 0 HB VAL A 64 5.539 5.454 -6.365 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.448 3.121 -6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.160 3.434 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.808 2.488 -6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.527 4.281 -8.308 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.904 3.715 -8.769 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.275 5.455 -8.776 1.00 0.00 H new ATOM 979 N LEU A 65 3.495 7.295 -6.048 1.00 0.00 N ATOM 980 CA LEU A 65 3.293 8.734 -6.180 1.00 0.00 C ATOM 981 C LEU A 65 4.070 9.222 -7.405 1.00 0.00 C ATOM 982 O LEU A 65 5.233 8.843 -7.569 1.00 0.00 O ATOM 983 CB LEU A 65 3.780 9.373 -4.870 1.00 0.00 C ATOM 984 CG LEU A 65 3.732 10.895 -4.699 1.00 0.00 C ATOM 985 CD1 LEU A 65 4.772 11.637 -5.538 1.00 0.00 C ATOM 986 CD2 LEU A 65 2.330 11.434 -4.937 1.00 0.00 C ATOM 0 H LEU A 65 3.883 7.031 -5.142 1.00 0.00 H new ATOM 0 HA LEU A 65 2.249 9.007 -6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.197 8.937 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.814 9.062 -4.722 1.00 0.00 H new ATOM 0 HG LEU A 65 3.999 11.090 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.680 12.710 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.771 11.309 -5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.608 11.423 -6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.330 12.516 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.013 11.189 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.641 10.983 -4.223 1.00 0.00 H new ATOM 998 N ALA A 66 3.427 10.015 -8.265 1.00 0.00 N ATOM 999 CA ALA A 66 4.023 10.571 -9.473 1.00 0.00 C ATOM 1000 C ALA A 66 3.973 12.076 -9.342 1.00 0.00 C ATOM 1001 O ALA A 66 5.021 12.685 -9.036 1.00 0.00 O ATOM 1002 CB ALA A 66 3.287 10.081 -10.726 1.00 0.00 C ATOM 0 H ALA A 66 2.454 10.293 -8.134 1.00 0.00 H new ATOM 0 HA ALA A 66 5.056 10.241 -9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.752 10.511 -11.613 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.342 8.994 -10.778 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.243 10.389 -10.678 1.00 0.00 H new TER 1008 ALA A 66