USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 403 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 52 SER OG : rot 105:sc= 1.18 USER MOD Set 1.2: A 54 SER OG : rot 45:sc= 0.486 USER MOD Set 1.3: A 57 ASN : amide:sc= -2.09! C(o=-0.42!,f=-3.8!) USER MOD Set 2.1: A 38 MET CE :methyl -177:sc= 0 (180deg=-0.0213) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= -0.145 USER MOD Set 3.1: A 9 LYS NZ :NH3+ -104:sc= -0.115 (180deg=0) USER MOD Set 3.2: A 24 GLN : amide:sc= -0.0133 K(o=-0.13,f=-0.71) USER MOD Single : A 1 LYS N :NH3+ 159:sc= 0.001 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 160:sc= -0.0612 (180deg=-0.521) USER MOD Single : A 4 TYR OH : rot 160:sc= 1.28 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -147:sc= 0.0322 (180deg=-1.67) USER MOD Single : A 14 SER OG : rot 51:sc= 0.772 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.526 K(o=-0.53,f=-1.1) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -2.05 K(o=-2,f=-11!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -170:sc= -0.0601 (180deg=-0.25) USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= -0.223 (180deg=-0.972) USER MOD Single : A 29 LYS NZ :NH3+ -113:sc= 0.468 (180deg=-0.523) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= 0.944 K(o=0.94,f=-3.1!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 43:sc= 0.987 USER MOD Single : A 41 TYR OH : rot 178:sc= 1.22 USER MOD Single : A 48 ASN : amide:sc= -0.534 K(o=-0.53,f=-7.7!) USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= -0.357 (180deg=-0.673!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.000 0.000 0.000 1.00 10.00 N ATOM 2 CA LYS A 1 1.453 0.000 0.000 1.00 10.00 C ATOM 3 C LYS A 1 1.959 0.797 1.204 1.00 10.00 C ATOM 4 O LYS A 1 1.493 1.906 1.459 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.506 -1.341 1.00 10.00 C ATOM 6 CG LYS A 1 3.452 0.104 -1.533 1.00 10.00 C ATOM 7 CD LYS A 1 3.898 0.333 -2.979 1.00 10.00 C ATOM 8 CE LYS A 1 5.325 -0.174 -3.199 1.00 10.00 C ATOM 9 NZ LYS A 1 5.406 -1.627 -2.932 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 -0.212 -0.957 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 -0.723 0.662 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 0.935 0.295 1.00 10.00 H new ATOM 0 HA LYS A 1 1.834 -1.016 0.107 1.00 10.00 H new ATOM 0 HB2 LYS A 1 1.387 0.100 -2.154 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.897 1.591 -1.387 1.00 10.00 H new ATOM 0 HG2 LYS A 1 4.083 0.682 -0.858 1.00 10.00 H new ATOM 0 HG3 LYS A 1 3.582 -0.946 -1.270 1.00 10.00 H new ATOM 0 HD2 LYS A 1 3.217 -0.179 -3.659 1.00 10.00 H new ATOM 0 HD3 LYS A 1 3.845 1.396 -3.216 1.00 10.00 H new ATOM 0 HE2 LYS A 1 5.636 0.031 -4.223 1.00 10.00 H new ATOM 0 HE3 LYS A 1 6.012 0.361 -2.544 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 6.251 -2.018 -3.394 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 5.466 -1.789 -1.906 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 4.557 -2.097 -3.307 1.00 10.00 H new ATOM 22 N ASP A 2 2.906 0.200 1.913 1.00 10.00 N ATOM 23 CA ASP A 2 3.316 0.724 3.205 1.00 10.00 C ATOM 24 C ASP A 2 4.773 0.335 3.468 1.00 10.00 C ATOM 25 O ASP A 2 5.258 -0.663 2.937 1.00 10.00 O ATOM 26 CB ASP A 2 2.461 0.143 4.332 1.00 10.00 C ATOM 27 CG ASP A 2 0.950 0.235 4.110 1.00 10.00 C ATOM 28 OD1 ASP A 2 0.274 -0.781 3.885 1.00 10.00 O ATOM 29 OD2 ASP A 2 0.460 1.426 4.176 1.00 10.00 O ATOM 0 H ASP A 2 3.401 -0.641 1.617 1.00 10.00 H new ATOM 0 HA ASP A 2 3.196 1.807 3.184 1.00 10.00 H new ATOM 0 HB2 ASP A 2 2.730 -0.904 4.469 1.00 10.00 H new ATOM 0 HB3 ASP A 2 2.709 0.660 5.259 1.00 10.00 H new ATOM 35 N GLY A 3 5.428 1.143 4.288 1.00 10.00 N ATOM 36 CA GLY A 3 6.760 0.807 4.763 1.00 10.00 C ATOM 37 C GLY A 3 7.700 2.010 4.656 1.00 10.00 C ATOM 38 O GLY A 3 7.343 3.119 5.051 1.00 10.00 O ATOM 0 H GLY A 3 5.062 2.029 4.636 1.00 10.00 H new ATOM 0 HA2 GLY A 3 6.707 0.473 5.799 1.00 10.00 H new ATOM 0 HA3 GLY A 3 7.159 -0.024 4.181 1.00 10.00 H new ATOM 42 N TYR A 4 8.883 1.749 4.120 1.00 10.00 N ATOM 43 CA TYR A 4 9.947 2.738 4.139 1.00 10.00 C ATOM 44 C TYR A 4 10.262 3.232 2.725 1.00 10.00 C ATOM 45 O TYR A 4 10.893 2.523 1.942 1.00 10.00 O ATOM 46 CB TYR A 4 11.177 2.024 4.702 1.00 10.00 C ATOM 47 CG TYR A 4 10.965 1.424 6.093 1.00 10.00 C ATOM 48 CD1 TYR A 4 10.386 0.178 6.226 1.00 10.00 C ATOM 49 CD2 TYR A 4 11.354 2.127 7.215 1.00 10.00 C ATOM 50 CE1 TYR A 4 10.186 -0.387 7.536 1.00 10.00 C ATOM 51 CE2 TYR A 4 11.155 1.562 8.524 1.00 10.00 C ATOM 52 CZ TYR A 4 10.581 0.333 8.620 1.00 10.00 C ATOM 53 OH TYR A 4 10.393 -0.201 9.857 1.00 10.00 O ATOM 0 H TYR A 4 9.128 0.867 3.670 1.00 10.00 H new ATOM 0 HA TYR A 4 9.656 3.603 4.735 1.00 10.00 H new ATOM 0 HB2 TYR A 4 11.469 1.229 4.015 1.00 10.00 H new ATOM 0 HB3 TYR A 4 12.007 2.730 4.744 1.00 10.00 H new ATOM 0 HD1 TYR A 4 10.083 -0.373 5.348 1.00 10.00 H new ATOM 0 HD2 TYR A 4 11.808 3.101 7.111 1.00 10.00 H new ATOM 0 HE1 TYR A 4 9.733 -1.360 7.655 1.00 10.00 H new ATOM 0 HE2 TYR A 4 11.455 2.102 9.410 1.00 10.00 H new ATOM 0 HH TYR A 4 10.988 0.241 10.498 1.00 10.00 H new ATOM 63 N PRO A 5 9.795 4.475 2.433 1.00 10.00 N ATOM 64 CA PRO A 5 9.812 4.981 1.071 1.00 10.00 C ATOM 65 C PRO A 5 11.229 5.376 0.651 1.00 10.00 C ATOM 66 O PRO A 5 12.009 5.864 1.467 1.00 10.00 O ATOM 67 CB PRO A 5 8.844 6.153 1.074 1.00 10.00 C ATOM 68 CG PRO A 5 8.676 6.551 2.531 1.00 10.00 C ATOM 69 CD PRO A 5 9.240 5.430 3.388 1.00 10.00 C ATOM 0 HA PRO A 5 9.507 4.232 0.340 1.00 10.00 H new ATOM 0 HB2 PRO A 5 9.234 6.983 0.485 1.00 10.00 H new ATOM 0 HB3 PRO A 5 7.888 5.871 0.633 1.00 10.00 H new ATOM 0 HG2 PRO A 5 9.198 7.486 2.734 1.00 10.00 H new ATOM 0 HG3 PRO A 5 7.624 6.716 2.763 1.00 10.00 H new ATOM 0 HD2 PRO A 5 10.007 5.800 4.069 1.00 10.00 H new ATOM 0 HD3 PRO A 5 8.464 4.971 4.001 1.00 10.00 H new ATOM 77 N VAL A 6 11.519 5.151 -0.623 1.00 10.00 N ATOM 78 CA VAL A 6 12.788 5.578 -1.188 1.00 10.00 C ATOM 79 C VAL A 6 12.564 6.071 -2.619 1.00 10.00 C ATOM 80 O VAL A 6 11.860 5.429 -3.397 1.00 10.00 O ATOM 81 CB VAL A 6 13.808 4.441 -1.100 1.00 10.00 C ATOM 82 CG1 VAL A 6 14.475 4.408 0.277 1.00 10.00 C ATOM 83 CG2 VAL A 6 13.158 3.095 -1.426 1.00 10.00 C ATOM 0 H VAL A 6 10.897 4.679 -1.279 1.00 10.00 H new ATOM 0 HA VAL A 6 13.199 6.411 -0.618 1.00 10.00 H new ATOM 0 HB VAL A 6 14.583 4.628 -1.843 1.00 10.00 H new ATOM 0 HG11 VAL A 6 15.195 3.591 0.313 1.00 10.00 H new ATOM 0 HG12 VAL A 6 14.989 5.353 0.455 1.00 10.00 H new ATOM 0 HG13 VAL A 6 13.717 4.257 1.045 1.00 10.00 H new ATOM 0 HG21 VAL A 6 13.905 2.304 -1.356 1.00 10.00 H new ATOM 0 HG22 VAL A 6 12.354 2.898 -0.717 1.00 10.00 H new ATOM 0 HG23 VAL A 6 12.752 3.122 -2.437 1.00 10.00 H new ATOM 93 N ASP A 7 13.176 7.206 -2.922 1.00 10.00 N ATOM 94 CA ASP A 7 13.342 7.621 -4.305 1.00 10.00 C ATOM 95 C ASP A 7 14.305 8.807 -4.365 1.00 10.00 C ATOM 96 O ASP A 7 15.420 8.681 -4.870 1.00 10.00 O ATOM 97 CB ASP A 7 12.008 8.063 -4.910 1.00 10.00 C ATOM 98 CG ASP A 7 10.969 8.550 -3.899 1.00 10.00 C ATOM 99 OD1 ASP A 7 9.895 7.949 -3.746 1.00 10.00 O ATOM 100 OD2 ASP A 7 11.302 9.609 -3.242 1.00 10.00 O ATOM 0 H ASP A 7 13.563 7.851 -2.234 1.00 10.00 H new ATOM 0 HA ASP A 7 13.730 6.772 -4.868 1.00 10.00 H new ATOM 0 HB2 ASP A 7 12.198 8.862 -5.626 1.00 10.00 H new ATOM 0 HB3 ASP A 7 11.585 7.228 -5.469 1.00 10.00 H new ATOM 106 N SER A 8 13.841 9.933 -3.843 1.00 10.00 N ATOM 107 CA SER A 8 14.645 11.143 -3.837 1.00 10.00 C ATOM 108 C SER A 8 15.746 11.035 -2.780 1.00 10.00 C ATOM 109 O SER A 8 16.852 11.536 -2.976 1.00 10.00 O ATOM 110 CB SER A 8 13.780 12.378 -3.578 1.00 10.00 C ATOM 111 OG SER A 8 13.058 12.277 -2.353 1.00 10.00 O ATOM 0 H SER A 8 12.918 10.033 -3.421 1.00 10.00 H new ATOM 0 HA SER A 8 15.103 11.253 -4.820 1.00 10.00 H new ATOM 0 HB2 SER A 8 14.413 13.265 -3.554 1.00 10.00 H new ATOM 0 HB3 SER A 8 13.079 12.509 -4.402 1.00 10.00 H new ATOM 0 HG SER A 8 12.519 13.085 -2.223 1.00 10.00 H new ATOM 117 N LYS A 9 15.405 10.376 -1.682 1.00 10.00 N ATOM 118 CA LYS A 9 16.329 10.249 -0.568 1.00 10.00 C ATOM 119 C LYS A 9 17.248 9.049 -0.809 1.00 10.00 C ATOM 120 O LYS A 9 18.310 8.943 -0.196 1.00 10.00 O ATOM 121 CB LYS A 9 15.567 10.183 0.757 1.00 10.00 C ATOM 122 CG LYS A 9 14.756 8.889 0.859 1.00 10.00 C ATOM 123 CD LYS A 9 13.368 9.156 1.445 1.00 10.00 C ATOM 124 CE LYS A 9 12.427 9.732 0.385 1.00 10.00 C ATOM 125 NZ LYS A 9 11.141 10.133 0.997 1.00 10.00 N ATOM 0 H LYS A 9 14.501 9.924 -1.540 1.00 10.00 H new ATOM 0 HA LYS A 9 16.965 11.131 -0.499 1.00 10.00 H new ATOM 0 HB2 LYS A 9 16.270 10.243 1.588 1.00 10.00 H new ATOM 0 HB3 LYS A 9 14.901 11.042 0.841 1.00 10.00 H new ATOM 0 HG2 LYS A 9 14.657 8.439 -0.129 1.00 10.00 H new ATOM 0 HG3 LYS A 9 15.287 8.171 1.485 1.00 10.00 H new ATOM 0 HD2 LYS A 9 12.952 8.229 1.841 1.00 10.00 H new ATOM 0 HD3 LYS A 9 13.450 9.851 2.280 1.00 10.00 H new ATOM 0 HE2 LYS A 9 12.893 10.593 -0.094 1.00 10.00 H new ATOM 0 HE3 LYS A 9 12.250 8.991 -0.394 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 10.412 9.429 0.766 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 11.251 10.191 2.030 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 10.855 11.062 0.627 1.00 10.00 H new ATOM 138 N GLY A 10 16.807 8.176 -1.702 1.00 10.00 N ATOM 139 CA GLY A 10 17.658 7.100 -2.180 1.00 10.00 C ATOM 140 C GLY A 10 17.582 5.887 -1.250 1.00 10.00 C ATOM 141 O GLY A 10 17.101 4.826 -1.645 1.00 10.00 O ATOM 0 H GLY A 10 15.871 8.192 -2.107 1.00 10.00 H new ATOM 0 HA2 GLY A 10 17.354 6.811 -3.186 1.00 10.00 H new ATOM 0 HA3 GLY A 10 18.689 7.448 -2.246 1.00 10.00 H new ATOM 145 N CYS A 11 18.064 6.085 -0.032 1.00 10.00 N ATOM 146 CA CYS A 11 18.192 4.985 0.910 1.00 10.00 C ATOM 147 C CYS A 11 17.444 5.360 2.191 1.00 10.00 C ATOM 148 O CYS A 11 17.028 6.505 2.358 1.00 10.00 O ATOM 149 CB CYS A 11 19.658 4.643 1.184 1.00 10.00 C ATOM 150 SG CYS A 11 20.425 3.518 -0.038 1.00 10.00 S ATOM 0 H CYS A 11 18.371 6.990 0.325 1.00 10.00 H new ATOM 0 HA CYS A 11 17.751 4.084 0.484 1.00 10.00 H new ATOM 0 HB2 CYS A 11 20.233 5.569 1.215 1.00 10.00 H new ATOM 0 HB3 CYS A 11 19.732 4.188 2.172 1.00 10.00 H new ATOM 155 N LYS A 12 17.297 4.373 3.062 1.00 10.00 N ATOM 156 CA LYS A 12 16.552 4.568 4.295 1.00 10.00 C ATOM 157 C LYS A 12 17.094 5.799 5.023 1.00 10.00 C ATOM 158 O LYS A 12 18.304 6.016 5.068 1.00 10.00 O ATOM 159 CB LYS A 12 16.575 3.294 5.141 1.00 10.00 C ATOM 160 CG LYS A 12 15.156 2.788 5.408 1.00 10.00 C ATOM 161 CD LYS A 12 14.733 1.759 4.357 1.00 10.00 C ATOM 162 CE LYS A 12 14.331 2.445 3.050 1.00 10.00 C ATOM 163 NZ LYS A 12 13.623 1.495 2.163 1.00 10.00 N ATOM 0 H LYS A 12 17.681 3.436 2.939 1.00 10.00 H new ATOM 0 HA LYS A 12 15.501 4.761 4.079 1.00 10.00 H new ATOM 0 HB2 LYS A 12 17.150 2.523 4.628 1.00 10.00 H new ATOM 0 HB3 LYS A 12 17.079 3.490 6.087 1.00 10.00 H new ATOM 0 HG2 LYS A 12 15.107 2.340 6.401 1.00 10.00 H new ATOM 0 HG3 LYS A 12 14.460 3.627 5.402 1.00 10.00 H new ATOM 0 HD2 LYS A 12 15.553 1.066 4.171 1.00 10.00 H new ATOM 0 HD3 LYS A 12 13.897 1.170 4.735 1.00 10.00 H new ATOM 0 HE2 LYS A 12 13.689 3.300 3.263 1.00 10.00 H new ATOM 0 HE3 LYS A 12 15.218 2.830 2.547 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 13.839 1.720 1.171 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 13.934 0.525 2.374 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 12.598 1.572 2.320 1.00 10.00 H new ATOM 176 N LEU A 13 16.172 6.574 5.576 1.00 10.00 N ATOM 177 CA LEU A 13 16.536 7.810 6.246 1.00 10.00 C ATOM 178 C LEU A 13 16.448 7.609 7.760 1.00 10.00 C ATOM 179 O LEU A 13 15.435 7.134 8.269 1.00 10.00 O ATOM 180 CB LEU A 13 15.685 8.971 5.729 1.00 10.00 C ATOM 181 CG LEU A 13 14.231 9.001 6.206 1.00 10.00 C ATOM 182 CD1 LEU A 13 14.050 10.001 7.350 1.00 10.00 C ATOM 183 CD2 LEU A 13 13.278 9.283 5.043 1.00 10.00 C ATOM 0 H LEU A 13 15.173 6.369 5.573 1.00 10.00 H new ATOM 0 HA LEU A 13 17.568 8.077 6.019 1.00 10.00 H new ATOM 0 HB2 LEU A 13 16.163 9.905 6.024 1.00 10.00 H new ATOM 0 HB3 LEU A 13 15.689 8.941 4.639 1.00 10.00 H new ATOM 0 HG LEU A 13 13.979 8.015 6.597 1.00 10.00 H new ATOM 0 HD11 LEU A 13 13.008 10.003 7.670 1.00 10.00 H new ATOM 0 HD12 LEU A 13 14.687 9.715 8.187 1.00 10.00 H new ATOM 0 HD13 LEU A 13 14.326 10.999 7.008 1.00 10.00 H new ATOM 0 HD21 LEU A 13 12.252 9.299 5.409 1.00 10.00 H new ATOM 0 HD22 LEU A 13 13.520 10.249 4.600 1.00 10.00 H new ATOM 0 HD23 LEU A 13 13.382 8.502 4.290 1.00 10.00 H new ATOM 195 N SER A 14 17.524 7.982 8.438 1.00 10.00 N ATOM 196 CA SER A 14 17.637 7.725 9.864 1.00 10.00 C ATOM 197 C SER A 14 16.937 8.833 10.653 1.00 10.00 C ATOM 198 O SER A 14 17.572 9.806 11.059 1.00 10.00 O ATOM 199 CB SER A 14 19.102 7.614 10.289 1.00 10.00 C ATOM 200 OG SER A 14 19.829 8.809 10.015 1.00 10.00 O ATOM 0 H SER A 14 18.325 8.460 8.026 1.00 10.00 H new ATOM 0 HA SER A 14 17.152 6.773 10.079 1.00 10.00 H new ATOM 0 HB2 SER A 14 19.155 7.394 11.355 1.00 10.00 H new ATOM 0 HB3 SER A 14 19.568 6.778 9.768 1.00 10.00 H new ATOM 0 HG SER A 14 19.345 9.578 10.383 1.00 10.00 H new ATOM 206 N CYS A 15 15.640 8.650 10.846 1.00 10.00 N ATOM 207 CA CYS A 15 14.877 9.543 11.701 1.00 10.00 C ATOM 208 C CYS A 15 15.389 9.390 13.134 1.00 10.00 C ATOM 209 O CYS A 15 15.798 8.302 13.538 1.00 10.00 O ATOM 210 CB CYS A 15 13.373 9.275 11.601 1.00 10.00 C ATOM 211 SG CYS A 15 12.864 7.577 12.055 1.00 10.00 S ATOM 0 H CYS A 15 15.097 7.896 10.425 1.00 10.00 H new ATOM 0 HA CYS A 15 15.019 10.573 11.373 1.00 10.00 H new ATOM 0 HB2 CYS A 15 12.849 9.981 12.245 1.00 10.00 H new ATOM 0 HB3 CYS A 15 13.050 9.475 10.579 1.00 10.00 H new ATOM 216 N VAL A 16 15.350 10.495 13.864 1.00 10.00 N ATOM 217 CA VAL A 16 15.736 10.481 15.265 1.00 10.00 C ATOM 218 C VAL A 16 14.609 11.082 16.106 1.00 10.00 C ATOM 219 O VAL A 16 14.817 11.440 17.264 1.00 10.00 O ATOM 220 CB VAL A 16 17.071 11.207 15.447 1.00 10.00 C ATOM 221 CG1 VAL A 16 17.753 10.782 16.749 1.00 10.00 C ATOM 222 CG2 VAL A 16 17.990 10.975 14.246 1.00 10.00 C ATOM 0 H VAL A 16 15.057 11.406 13.512 1.00 10.00 H new ATOM 0 HA VAL A 16 15.888 9.458 15.609 1.00 10.00 H new ATOM 0 HB VAL A 16 16.865 12.276 15.510 1.00 10.00 H new ATOM 0 HG11 VAL A 16 18.699 11.312 16.854 1.00 10.00 H new ATOM 0 HG12 VAL A 16 17.107 11.022 17.593 1.00 10.00 H new ATOM 0 HG13 VAL A 16 17.939 9.708 16.728 1.00 10.00 H new ATOM 0 HG21 VAL A 16 18.932 11.502 14.401 1.00 10.00 H new ATOM 0 HG22 VAL A 16 18.185 9.908 14.138 1.00 10.00 H new ATOM 0 HG23 VAL A 16 17.509 11.350 13.342 1.00 10.00 H new ATOM 232 N ALA A 17 13.439 11.175 15.491 1.00 10.00 N ATOM 233 CA ALA A 17 12.297 11.793 16.143 1.00 10.00 C ATOM 234 C ALA A 17 11.026 11.456 15.362 1.00 10.00 C ATOM 235 O ALA A 17 11.073 11.252 14.150 1.00 10.00 O ATOM 236 CB ALA A 17 12.529 13.300 16.258 1.00 10.00 C ATOM 0 H ALA A 17 13.257 10.832 14.548 1.00 10.00 H new ATOM 0 HA ALA A 17 12.175 11.404 17.154 1.00 10.00 H new ATOM 0 HB1 ALA A 17 11.672 13.764 16.747 1.00 10.00 H new ATOM 0 HB2 ALA A 17 13.427 13.486 16.847 1.00 10.00 H new ATOM 0 HB3 ALA A 17 12.653 13.726 15.262 1.00 10.00 H new ATOM 242 N ASN A 18 9.918 11.410 16.088 1.00 10.00 N ATOM 243 CA ASN A 18 8.670 10.930 15.519 1.00 10.00 C ATOM 244 C ASN A 18 8.139 11.963 14.522 1.00 10.00 C ATOM 245 O ASN A 18 7.722 11.610 13.420 1.00 10.00 O ATOM 246 CB ASN A 18 7.610 10.733 16.604 1.00 10.00 C ATOM 247 CG ASN A 18 8.109 9.779 17.691 1.00 10.00 C ATOM 248 OD1 ASN A 18 8.567 10.184 18.747 1.00 10.00 O ATOM 249 ND2 ASN A 18 7.996 8.492 17.375 1.00 10.00 N ATOM 0 H ASN A 18 9.859 11.697 17.065 1.00 10.00 H new ATOM 0 HA ASN A 18 8.867 9.976 15.030 1.00 10.00 H new ATOM 0 HB2 ASN A 18 7.356 11.695 17.048 1.00 10.00 H new ATOM 0 HB3 ASN A 18 6.698 10.337 16.158 1.00 10.00 H new ATOM 0 HD21 ASN A 18 8.302 7.776 18.034 1.00 10.00 H new ATOM 0 HD22 ASN A 18 7.603 8.221 16.473 1.00 10.00 H new ATOM 256 N ASN A 19 8.173 13.218 14.945 1.00 10.00 N ATOM 257 CA ASN A 19 7.657 14.299 14.122 1.00 10.00 C ATOM 258 C ASN A 19 8.501 14.414 12.851 1.00 10.00 C ATOM 259 O ASN A 19 8.000 14.824 11.805 1.00 10.00 O ATOM 260 CB ASN A 19 7.730 15.636 14.861 1.00 10.00 C ATOM 261 CG ASN A 19 9.145 15.899 15.381 1.00 10.00 C ATOM 262 OD1 ASN A 19 10.028 16.335 14.661 1.00 10.00 O ATOM 263 ND2 ASN A 19 9.310 15.610 16.669 1.00 10.00 N ATOM 0 H ASN A 19 8.550 13.511 15.847 1.00 10.00 H new ATOM 0 HA ASN A 19 6.617 14.075 13.884 1.00 10.00 H new ATOM 0 HB2 ASN A 19 7.429 16.442 14.192 1.00 10.00 H new ATOM 0 HB3 ASN A 19 7.027 15.634 15.694 1.00 10.00 H new ATOM 0 HD21 ASN A 19 10.218 15.751 17.111 1.00 10.00 H new ATOM 0 HD22 ASN A 19 8.528 15.248 17.215 1.00 10.00 H new ATOM 270 N TYR A 20 9.766 14.046 12.984 1.00 10.00 N ATOM 271 CA TYR A 20 10.717 14.229 11.900 1.00 10.00 C ATOM 272 C TYR A 20 10.555 13.138 10.839 1.00 10.00 C ATOM 273 O TYR A 20 11.091 13.253 9.738 1.00 10.00 O ATOM 274 CB TYR A 20 12.105 14.107 12.531 1.00 10.00 C ATOM 275 CG TYR A 20 13.257 14.343 11.552 1.00 10.00 C ATOM 276 CD1 TYR A 20 13.710 15.625 11.316 1.00 10.00 C ATOM 277 CD2 TYR A 20 13.842 13.274 10.905 1.00 10.00 C ATOM 278 CE1 TYR A 20 14.794 15.848 10.394 1.00 10.00 C ATOM 279 CE2 TYR A 20 14.926 13.496 9.983 1.00 10.00 C ATOM 280 CZ TYR A 20 15.348 14.772 9.773 1.00 10.00 C ATOM 281 OH TYR A 20 16.372 14.982 8.903 1.00 10.00 O ATOM 0 H TYR A 20 10.155 13.622 13.826 1.00 10.00 H new ATOM 0 HA TYR A 20 10.563 15.192 11.413 1.00 10.00 H new ATOM 0 HB2 TYR A 20 12.185 14.823 13.349 1.00 10.00 H new ATOM 0 HB3 TYR A 20 12.209 13.113 12.966 1.00 10.00 H new ATOM 0 HD1 TYR A 20 13.252 16.461 11.823 1.00 10.00 H new ATOM 0 HD2 TYR A 20 13.487 12.271 11.090 1.00 10.00 H new ATOM 0 HE1 TYR A 20 15.158 16.846 10.200 1.00 10.00 H new ATOM 0 HE2 TYR A 20 15.393 12.668 9.470 1.00 10.00 H new ATOM 0 HH TYR A 20 16.670 14.124 8.535 1.00 10.00 H new ATOM 291 N CYS A 21 9.814 12.104 11.208 1.00 10.00 N ATOM 292 CA CYS A 21 9.362 11.122 10.236 1.00 10.00 C ATOM 293 C CYS A 21 8.005 11.574 9.692 1.00 10.00 C ATOM 294 O CYS A 21 7.822 11.680 8.480 1.00 10.00 O ATOM 295 CB CYS A 21 9.296 9.718 10.839 1.00 10.00 C ATOM 296 SG CYS A 21 8.492 8.463 9.777 1.00 10.00 S ATOM 0 H CYS A 21 9.515 11.924 12.166 1.00 10.00 H new ATOM 0 HA CYS A 21 10.079 11.061 9.417 1.00 10.00 H new ATOM 0 HB2 CYS A 21 10.310 9.387 11.065 1.00 10.00 H new ATOM 0 HB3 CYS A 21 8.759 9.770 11.786 1.00 10.00 H new ATOM 301 N ASP A 22 7.089 11.828 10.614 1.00 10.00 N ATOM 302 CA ASP A 22 5.684 11.945 10.261 1.00 10.00 C ATOM 303 C ASP A 22 5.500 13.123 9.301 1.00 10.00 C ATOM 304 O ASP A 22 4.669 13.066 8.396 1.00 10.00 O ATOM 305 CB ASP A 22 4.825 12.206 11.500 1.00 10.00 C ATOM 306 CG ASP A 22 3.316 12.088 11.276 1.00 10.00 C ATOM 307 OD1 ASP A 22 2.857 11.360 10.383 1.00 10.00 O ATOM 308 OD2 ASP A 22 2.589 12.793 12.076 1.00 10.00 O ATOM 0 H ASP A 22 7.292 11.956 11.605 1.00 10.00 H new ATOM 0 HA ASP A 22 5.373 11.009 9.798 1.00 10.00 H new ATOM 0 HB2 ASP A 22 5.117 11.504 12.281 1.00 10.00 H new ATOM 0 HB3 ASP A 22 5.045 13.207 11.872 1.00 10.00 H new ATOM 314 N ASN A 23 6.289 14.162 9.532 1.00 10.00 N ATOM 315 CA ASN A 23 6.192 15.368 8.728 1.00 10.00 C ATOM 316 C ASN A 23 6.575 15.045 7.283 1.00 10.00 C ATOM 317 O ASN A 23 6.001 15.599 6.346 1.00 10.00 O ATOM 318 CB ASN A 23 7.146 16.449 9.240 1.00 10.00 C ATOM 319 CG ASN A 23 8.599 15.973 9.177 1.00 10.00 C ATOM 320 OD1 ASN A 23 8.896 14.792 9.247 1.00 10.00 O ATOM 321 ND2 ASN A 23 9.485 16.956 9.041 1.00 10.00 N ATOM 0 H ASN A 23 6.998 14.193 10.264 1.00 10.00 H new ATOM 0 HA ASN A 23 5.167 15.733 8.790 1.00 10.00 H new ATOM 0 HB2 ASN A 23 7.030 17.354 8.643 1.00 10.00 H new ATOM 0 HB3 ASN A 23 6.889 16.709 10.267 1.00 10.00 H new ATOM 0 HD21 ASN A 23 10.481 16.741 8.989 1.00 10.00 H new ATOM 0 HD22 ASN A 23 9.168 17.924 8.989 1.00 10.00 H new ATOM 328 N GLN A 24 7.543 14.151 7.147 1.00 10.00 N ATOM 329 CA GLN A 24 8.034 13.774 5.832 1.00 10.00 C ATOM 330 C GLN A 24 7.056 12.811 5.156 1.00 10.00 C ATOM 331 O GLN A 24 6.880 12.852 3.939 1.00 10.00 O ATOM 332 CB GLN A 24 9.432 13.160 5.924 1.00 10.00 C ATOM 333 CG GLN A 24 9.914 12.685 4.552 1.00 10.00 C ATOM 334 CD GLN A 24 11.421 12.417 4.562 1.00 10.00 C ATOM 335 OE1 GLN A 24 12.067 12.401 5.597 1.00 10.00 O ATOM 336 NE2 GLN A 24 11.941 12.208 3.357 1.00 10.00 N ATOM 0 H GLN A 24 8.001 13.677 7.925 1.00 10.00 H new ATOM 0 HA GLN A 24 8.108 14.674 5.222 1.00 10.00 H new ATOM 0 HB2 GLN A 24 10.130 13.895 6.324 1.00 10.00 H new ATOM 0 HB3 GLN A 24 9.419 12.321 6.619 1.00 10.00 H new ATOM 0 HG2 GLN A 24 9.381 11.777 4.270 1.00 10.00 H new ATOM 0 HG3 GLN A 24 9.680 13.438 3.800 1.00 10.00 H new ATOM 0 HE21 GLN A 24 11.343 12.236 2.531 1.00 10.00 H new ATOM 0 HE22 GLN A 24 12.939 12.020 3.258 1.00 10.00 H new ATOM 345 N CYS A 25 6.444 11.968 5.974 1.00 10.00 N ATOM 346 CA CYS A 25 5.461 11.021 5.476 1.00 10.00 C ATOM 347 C CYS A 25 4.282 11.810 4.902 1.00 10.00 C ATOM 348 O CYS A 25 3.917 11.630 3.741 1.00 10.00 O ATOM 349 CB CYS A 25 5.016 10.041 6.564 1.00 10.00 C ATOM 350 SG CYS A 25 6.343 8.959 7.210 1.00 10.00 S ATOM 0 H CYS A 25 6.610 11.921 6.979 1.00 10.00 H new ATOM 0 HA CYS A 25 5.906 10.411 4.690 1.00 10.00 H new ATOM 0 HB2 CYS A 25 4.593 10.608 7.393 1.00 10.00 H new ATOM 0 HB3 CYS A 25 4.218 9.415 6.165 1.00 10.00 H new ATOM 355 N LYS A 26 3.720 12.667 5.742 1.00 10.00 N ATOM 356 CA LYS A 26 2.447 13.294 5.430 1.00 10.00 C ATOM 357 C LYS A 26 2.656 14.353 4.346 1.00 10.00 C ATOM 358 O LYS A 26 1.699 14.796 3.713 1.00 10.00 O ATOM 359 CB LYS A 26 1.792 13.837 6.702 1.00 10.00 C ATOM 360 CG LYS A 26 2.432 15.160 7.126 1.00 10.00 C ATOM 361 CD LYS A 26 1.723 15.744 8.350 1.00 10.00 C ATOM 362 CE LYS A 26 2.022 14.920 9.603 1.00 10.00 C ATOM 363 NZ LYS A 26 1.509 15.606 10.810 1.00 10.00 N ATOM 0 H LYS A 26 4.123 12.942 6.638 1.00 10.00 H new ATOM 0 HA LYS A 26 1.749 12.560 5.028 1.00 10.00 H new ATOM 0 HB2 LYS A 26 0.725 13.983 6.532 1.00 10.00 H new ATOM 0 HB3 LYS A 26 1.890 13.107 7.506 1.00 10.00 H new ATOM 0 HG2 LYS A 26 3.486 15.002 7.353 1.00 10.00 H new ATOM 0 HG3 LYS A 26 2.387 15.871 6.301 1.00 10.00 H new ATOM 0 HD2 LYS A 26 2.044 16.774 8.503 1.00 10.00 H new ATOM 0 HD3 LYS A 26 0.647 15.768 8.174 1.00 10.00 H new ATOM 0 HE2 LYS A 26 1.564 13.935 9.515 1.00 10.00 H new ATOM 0 HE3 LYS A 26 3.097 14.765 9.695 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 1.721 15.033 11.651 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 1.965 16.536 10.901 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 0.480 15.732 10.727 1.00 10.00 H new ATOM 376 N MET A 27 3.914 14.728 4.165 1.00 10.00 N ATOM 377 CA MET A 27 4.266 15.697 3.142 1.00 10.00 C ATOM 378 C MET A 27 3.615 15.343 1.804 1.00 10.00 C ATOM 379 O MET A 27 2.996 16.193 1.166 1.00 10.00 O ATOM 380 CB MET A 27 5.787 15.736 2.976 1.00 10.00 C ATOM 381 CG MET A 27 6.217 16.946 2.145 1.00 10.00 C ATOM 382 SD MET A 27 7.646 16.532 1.159 1.00 10.00 S ATOM 383 CE MET A 27 8.810 16.130 2.451 1.00 10.00 C ATOM 0 H MET A 27 4.702 14.378 4.710 1.00 10.00 H new ATOM 0 HA MET A 27 3.901 16.675 3.454 1.00 10.00 H new ATOM 0 HB2 MET A 27 6.262 15.776 3.956 1.00 10.00 H new ATOM 0 HB3 MET A 27 6.127 14.820 2.494 1.00 10.00 H new ATOM 0 HG2 MET A 27 5.399 17.263 1.499 1.00 10.00 H new ATOM 0 HG3 MET A 27 6.448 17.785 2.801 1.00 10.00 H new ATOM 0 HE1 MET A 27 9.806 16.020 2.022 1.00 10.00 H new ATOM 0 HE2 MET A 27 8.820 16.928 3.193 1.00 10.00 H new ATOM 0 HE3 MET A 27 8.516 15.195 2.928 1.00 10.00 H new ATOM 393 N LYS A 28 3.778 14.086 1.418 1.00 10.00 N ATOM 394 CA LYS A 28 3.609 13.702 0.026 1.00 10.00 C ATOM 395 C LYS A 28 3.654 12.177 -0.087 1.00 10.00 C ATOM 396 O LYS A 28 2.799 11.574 -0.733 1.00 10.00 O ATOM 397 CB LYS A 28 4.636 14.415 -0.855 1.00 10.00 C ATOM 398 CG LYS A 28 4.211 14.389 -2.324 1.00 10.00 C ATOM 399 CD LYS A 28 4.772 13.156 -3.035 1.00 10.00 C ATOM 400 CE LYS A 28 6.049 13.500 -3.804 1.00 10.00 C ATOM 401 NZ LYS A 28 7.128 13.887 -2.868 1.00 10.00 N ATOM 0 H LYS A 28 4.025 13.320 2.045 1.00 10.00 H new ATOM 0 HA LYS A 28 2.633 14.020 -0.341 1.00 10.00 H new ATOM 0 HB2 LYS A 28 4.750 15.447 -0.524 1.00 10.00 H new ATOM 0 HB3 LYS A 28 5.609 13.936 -0.746 1.00 10.00 H new ATOM 0 HG2 LYS A 28 3.123 14.389 -2.392 1.00 10.00 H new ATOM 0 HG3 LYS A 28 4.561 15.292 -2.824 1.00 10.00 H new ATOM 0 HD2 LYS A 28 4.982 12.375 -2.304 1.00 10.00 H new ATOM 0 HD3 LYS A 28 4.026 12.757 -3.722 1.00 10.00 H new ATOM 0 HE2 LYS A 28 6.365 12.643 -4.398 1.00 10.00 H new ATOM 0 HE3 LYS A 28 5.853 14.316 -4.500 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 8.048 13.805 -3.346 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 6.984 14.870 -2.560 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 7.111 13.258 -2.040 1.00 10.00 H new ATOM 414 N LYS A 29 4.660 11.598 0.551 1.00 10.00 N ATOM 415 CA LYS A 29 4.904 10.171 0.426 1.00 10.00 C ATOM 416 C LYS A 29 3.627 9.407 0.781 1.00 10.00 C ATOM 417 O LYS A 29 3.225 8.495 0.060 1.00 10.00 O ATOM 418 CB LYS A 29 6.119 9.760 1.260 1.00 10.00 C ATOM 419 CG LYS A 29 7.400 10.392 0.712 1.00 10.00 C ATOM 420 CD LYS A 29 7.814 9.738 -0.607 1.00 10.00 C ATOM 421 CE LYS A 29 7.845 10.764 -1.742 1.00 10.00 C ATOM 422 NZ LYS A 29 8.453 10.176 -2.956 1.00 10.00 N ATOM 0 H LYS A 29 5.316 12.091 1.156 1.00 10.00 H new ATOM 0 HA LYS A 29 5.153 9.916 -0.604 1.00 10.00 H new ATOM 0 HB2 LYS A 29 5.973 10.065 2.296 1.00 10.00 H new ATOM 0 HB3 LYS A 29 6.215 8.674 1.258 1.00 10.00 H new ATOM 0 HG2 LYS A 29 7.246 11.460 0.560 1.00 10.00 H new ATOM 0 HG3 LYS A 29 8.203 10.286 1.442 1.00 10.00 H new ATOM 0 HD2 LYS A 29 8.798 9.282 -0.498 1.00 10.00 H new ATOM 0 HD3 LYS A 29 7.117 8.937 -0.855 1.00 10.00 H new ATOM 0 HE2 LYS A 29 6.832 11.102 -1.962 1.00 10.00 H new ATOM 0 HE3 LYS A 29 8.413 11.641 -1.432 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 9.359 10.647 -3.153 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 8.616 9.160 -2.805 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 7.812 10.307 -3.764 1.00 10.00 H new ATOM 435 N ALA A 30 3.025 9.807 1.891 1.00 10.00 N ATOM 436 CA ALA A 30 2.030 8.974 2.545 1.00 10.00 C ATOM 437 C ALA A 30 0.987 9.867 3.218 1.00 10.00 C ATOM 438 O ALA A 30 1.070 11.092 3.141 1.00 10.00 O ATOM 439 CB ALA A 30 2.721 8.035 3.536 1.00 10.00 C ATOM 0 H ALA A 30 3.207 10.697 2.354 1.00 10.00 H new ATOM 0 HA ALA A 30 1.511 8.352 1.816 1.00 10.00 H new ATOM 0 HB1 ALA A 30 1.974 7.410 4.026 1.00 10.00 H new ATOM 0 HB2 ALA A 30 3.431 7.402 3.003 1.00 10.00 H new ATOM 0 HB3 ALA A 30 3.251 8.623 4.285 1.00 10.00 H new ATOM 445 N SER A 31 0.027 9.220 3.863 1.00 10.00 N ATOM 446 CA SER A 31 -0.919 9.930 4.707 1.00 10.00 C ATOM 447 C SER A 31 -0.244 10.344 6.016 1.00 10.00 C ATOM 448 O SER A 31 -0.547 11.401 6.568 1.00 10.00 O ATOM 449 CB SER A 31 -2.152 9.072 4.994 1.00 10.00 C ATOM 450 OG SER A 31 -2.768 8.604 3.797 1.00 10.00 O ATOM 0 H SER A 31 -0.116 8.211 3.818 1.00 10.00 H new ATOM 0 HA SER A 31 -1.247 10.824 4.176 1.00 10.00 H new ATOM 0 HB2 SER A 31 -1.865 8.220 5.611 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.873 9.654 5.569 1.00 10.00 H new ATOM 0 HG SER A 31 -3.550 8.059 4.023 1.00 10.00 H new ATOM 456 N GLY A 32 0.659 9.490 6.476 1.00 10.00 N ATOM 457 CA GLY A 32 1.392 9.763 7.700 1.00 10.00 C ATOM 458 C GLY A 32 2.273 8.573 8.088 1.00 10.00 C ATOM 459 O GLY A 32 2.409 7.621 7.322 1.00 10.00 O ATOM 0 H GLY A 32 0.899 8.609 6.023 1.00 10.00 H new ATOM 0 HA2 GLY A 32 2.011 10.650 7.567 1.00 10.00 H new ATOM 0 HA3 GLY A 32 0.692 9.980 8.507 1.00 10.00 H new ATOM 463 N GLY A 33 2.849 8.668 9.277 1.00 10.00 N ATOM 464 CA GLY A 33 3.625 7.567 9.823 1.00 10.00 C ATOM 465 C GLY A 33 4.391 8.002 11.074 1.00 10.00 C ATOM 466 O GLY A 33 4.074 9.028 11.674 1.00 10.00 O ATOM 0 H GLY A 33 2.794 9.490 9.878 1.00 10.00 H new ATOM 0 HA2 GLY A 33 2.962 6.737 10.068 1.00 10.00 H new ATOM 0 HA3 GLY A 33 4.326 7.204 9.071 1.00 10.00 H new ATOM 470 N HIS A 34 5.384 7.201 11.429 1.00 10.00 N ATOM 471 CA HIS A 34 6.088 7.393 12.686 1.00 10.00 C ATOM 472 C HIS A 34 7.506 6.833 12.571 1.00 10.00 C ATOM 473 O HIS A 34 7.796 6.047 11.670 1.00 10.00 O ATOM 474 CB HIS A 34 5.301 6.783 13.848 1.00 10.00 C ATOM 475 CG HIS A 34 4.794 7.797 14.846 1.00 10.00 C ATOM 476 ND1 HIS A 34 4.120 8.946 14.470 1.00 10.00 N ATOM 477 CD2 HIS A 34 4.868 7.822 16.207 1.00 10.00 C ATOM 478 CE1 HIS A 34 3.808 9.625 15.565 1.00 10.00 C ATOM 479 NE2 HIS A 34 4.273 8.926 16.640 1.00 10.00 N ATOM 0 H HIS A 34 5.718 6.417 10.868 1.00 10.00 H new ATOM 0 HA HIS A 34 6.173 8.458 12.901 1.00 10.00 H new ATOM 0 HB2 HIS A 34 4.453 6.228 13.447 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.936 6.065 14.366 1.00 10.00 H new ATOM 0 HD1 HIS A 34 3.901 9.223 13.513 1.00 10.00 H new ATOM 0 HD2 HIS A 34 5.332 7.070 16.828 1.00 10.00 H new ATOM 0 HE1 HIS A 34 3.279 10.566 15.600 1.00 10.00 H new ATOM 487 N CYS A 35 8.353 7.258 13.497 1.00 10.00 N ATOM 488 CA CYS A 35 9.765 6.919 13.433 1.00 10.00 C ATOM 489 C CYS A 35 9.962 5.555 14.099 1.00 10.00 C ATOM 490 O CYS A 35 9.998 5.459 15.325 1.00 10.00 O ATOM 491 CB CYS A 35 10.636 7.999 14.076 1.00 10.00 C ATOM 492 SG CYS A 35 12.435 7.666 14.025 1.00 10.00 S ATOM 0 H CYS A 35 8.089 7.834 14.296 1.00 10.00 H new ATOM 0 HA CYS A 35 10.081 6.863 12.391 1.00 10.00 H new ATOM 0 HB2 CYS A 35 10.442 8.948 13.576 1.00 10.00 H new ATOM 0 HB3 CYS A 35 10.332 8.119 15.116 1.00 10.00 H new ATOM 497 N TYR A 36 10.084 4.536 13.262 1.00 10.00 N ATOM 498 CA TYR A 36 10.565 3.244 13.722 1.00 10.00 C ATOM 499 C TYR A 36 12.079 3.270 13.943 1.00 10.00 C ATOM 500 O TYR A 36 12.780 4.097 13.363 1.00 10.00 O ATOM 501 CB TYR A 36 10.242 2.251 12.603 1.00 10.00 C ATOM 502 CG TYR A 36 10.413 0.785 13.004 1.00 10.00 C ATOM 503 CD1 TYR A 36 9.511 0.195 13.866 1.00 10.00 C ATOM 504 CD2 TYR A 36 11.471 0.052 12.504 1.00 10.00 C ATOM 505 CE1 TYR A 36 9.673 -1.186 14.243 1.00 10.00 C ATOM 506 CE2 TYR A 36 11.632 -1.329 12.882 1.00 10.00 C ATOM 507 CZ TYR A 36 10.725 -1.879 13.732 1.00 10.00 C ATOM 508 OH TYR A 36 10.878 -3.183 14.089 1.00 10.00 O ATOM 0 H TYR A 36 9.858 4.578 12.268 1.00 10.00 H new ATOM 0 HA TYR A 36 10.096 2.975 14.668 1.00 10.00 H new ATOM 0 HB2 TYR A 36 9.215 2.410 12.275 1.00 10.00 H new ATOM 0 HB3 TYR A 36 10.885 2.461 11.748 1.00 10.00 H new ATOM 0 HD1 TYR A 36 8.684 0.768 14.258 1.00 10.00 H new ATOM 0 HD2 TYR A 36 12.177 0.514 11.830 1.00 10.00 H new ATOM 0 HE1 TYR A 36 8.974 -1.660 14.916 1.00 10.00 H new ATOM 0 HE2 TYR A 36 12.455 -1.914 12.499 1.00 10.00 H new ATOM 0 HH TYR A 36 11.671 -3.552 13.647 1.00 10.00 H new ATOM 518 N ALA A 37 12.537 2.353 14.783 1.00 10.00 N ATOM 519 CA ALA A 37 13.844 2.494 15.403 1.00 10.00 C ATOM 520 C ALA A 37 14.903 2.680 14.315 1.00 10.00 C ATOM 521 O ALA A 37 15.831 3.470 14.476 1.00 10.00 O ATOM 522 CB ALA A 37 14.123 1.276 16.287 1.00 10.00 C ATOM 0 H ALA A 37 12.027 1.510 15.049 1.00 10.00 H new ATOM 0 HA ALA A 37 13.872 3.376 16.043 1.00 10.00 H new ATOM 0 HB1 ALA A 37 15.103 1.381 16.752 1.00 10.00 H new ATOM 0 HB2 ALA A 37 13.359 1.206 17.061 1.00 10.00 H new ATOM 0 HB3 ALA A 37 14.106 0.372 15.678 1.00 10.00 H new ATOM 528 N MET A 38 14.727 1.939 13.231 1.00 10.00 N ATOM 529 CA MET A 38 15.745 1.875 12.195 1.00 10.00 C ATOM 530 C MET A 38 15.693 3.114 11.299 1.00 10.00 C ATOM 531 O MET A 38 16.730 3.630 10.886 1.00 10.00 O ATOM 532 CB MET A 38 15.531 0.621 11.345 1.00 10.00 C ATOM 533 CG MET A 38 15.714 -0.646 12.183 1.00 10.00 C ATOM 534 SD MET A 38 16.289 -1.983 11.149 1.00 10.00 S ATOM 535 CE MET A 38 14.810 -2.300 10.202 1.00 10.00 C ATOM 0 H MET A 38 13.895 1.378 13.047 1.00 10.00 H new ATOM 0 HA MET A 38 16.723 1.837 12.675 1.00 10.00 H new ATOM 0 HB2 MET A 38 14.530 0.635 10.915 1.00 10.00 H new ATOM 0 HB3 MET A 38 16.235 0.616 10.513 1.00 10.00 H new ATOM 0 HG2 MET A 38 16.429 -0.462 12.985 1.00 10.00 H new ATOM 0 HG3 MET A 38 14.770 -0.920 12.654 1.00 10.00 H new ATOM 0 HE1 MET A 38 14.978 -3.148 9.538 1.00 10.00 H new ATOM 0 HE2 MET A 38 13.986 -2.526 10.879 1.00 10.00 H new ATOM 0 HE3 MET A 38 14.562 -1.419 9.609 1.00 10.00 H new ATOM 545 N SER A 39 14.474 3.556 11.025 1.00 10.00 N ATOM 546 CA SER A 39 14.251 4.526 9.966 1.00 10.00 C ATOM 547 C SER A 39 12.777 4.936 9.934 1.00 10.00 C ATOM 548 O SER A 39 11.948 4.336 10.616 1.00 10.00 O ATOM 549 CB SER A 39 14.675 3.966 8.607 1.00 10.00 C ATOM 550 OG SER A 39 16.037 4.262 8.309 1.00 10.00 O ATOM 0 H SER A 39 13.631 3.260 11.518 1.00 10.00 H new ATOM 0 HA SER A 39 14.862 5.404 10.173 1.00 10.00 H new ATOM 0 HB2 SER A 39 14.528 2.886 8.598 1.00 10.00 H new ATOM 0 HB3 SER A 39 14.035 4.381 7.828 1.00 10.00 H new ATOM 0 HG SER A 39 16.585 4.119 9.109 1.00 10.00 H new ATOM 556 N CYS A 40 12.496 5.955 9.136 1.00 10.00 N ATOM 557 CA CYS A 40 11.154 6.508 9.072 1.00 10.00 C ATOM 558 C CYS A 40 10.241 5.477 8.405 1.00 10.00 C ATOM 559 O CYS A 40 10.441 5.125 7.243 1.00 10.00 O ATOM 560 CB CYS A 40 11.130 7.851 8.338 1.00 10.00 C ATOM 561 SG CYS A 40 9.457 8.515 8.009 1.00 10.00 S ATOM 0 H CYS A 40 13.175 6.413 8.528 1.00 10.00 H new ATOM 0 HA CYS A 40 10.794 6.713 10.080 1.00 10.00 H new ATOM 0 HB2 CYS A 40 11.686 8.581 8.926 1.00 10.00 H new ATOM 0 HB3 CYS A 40 11.655 7.740 7.389 1.00 10.00 H new ATOM 566 N TYR A 41 9.259 5.021 9.169 1.00 10.00 N ATOM 567 CA TYR A 41 8.214 4.175 8.619 1.00 10.00 C ATOM 568 C TYR A 41 6.974 4.997 8.263 1.00 10.00 C ATOM 569 O TYR A 41 6.379 5.636 9.130 1.00 10.00 O ATOM 570 CB TYR A 41 7.853 3.179 9.723 1.00 10.00 C ATOM 571 CG TYR A 41 6.643 2.301 9.397 1.00 10.00 C ATOM 572 CD1 TYR A 41 6.806 1.153 8.648 1.00 10.00 C ATOM 573 CD2 TYR A 41 5.390 2.656 9.852 1.00 10.00 C ATOM 574 CE1 TYR A 41 5.667 0.326 8.341 1.00 10.00 C ATOM 575 CE2 TYR A 41 4.252 1.830 9.545 1.00 10.00 C ATOM 576 CZ TYR A 41 4.446 0.705 8.805 1.00 10.00 C ATOM 577 OH TYR A 41 3.371 -0.075 8.516 1.00 10.00 O ATOM 0 H TYR A 41 9.165 5.222 10.165 1.00 10.00 H new ATOM 0 HA TYR A 41 8.557 3.683 7.709 1.00 10.00 H new ATOM 0 HB2 TYR A 41 8.713 2.538 9.915 1.00 10.00 H new ATOM 0 HB3 TYR A 41 7.653 3.728 10.643 1.00 10.00 H new ATOM 0 HD1 TYR A 41 7.787 0.875 8.292 1.00 10.00 H new ATOM 0 HD2 TYR A 41 5.263 3.554 10.439 1.00 10.00 H new ATOM 0 HE1 TYR A 41 5.780 -0.575 7.756 1.00 10.00 H new ATOM 0 HE2 TYR A 41 3.266 2.097 9.894 1.00 10.00 H new ATOM 0 HH TYR A 41 2.572 0.296 8.946 1.00 10.00 H new ATOM 587 N CYS A 42 6.620 4.953 6.987 1.00 10.00 N ATOM 588 CA CYS A 42 5.451 5.673 6.509 1.00 10.00 C ATOM 589 C CYS A 42 4.368 4.651 6.159 1.00 10.00 C ATOM 590 O CYS A 42 4.673 3.504 5.835 1.00 10.00 O ATOM 591 CB CYS A 42 5.790 6.576 5.322 1.00 10.00 C ATOM 592 SG CYS A 42 7.029 7.876 5.675 1.00 10.00 S ATOM 0 H CYS A 42 7.122 4.430 6.269 1.00 10.00 H new ATOM 0 HA CYS A 42 5.083 6.336 7.292 1.00 10.00 H new ATOM 0 HB2 CYS A 42 6.158 5.955 4.505 1.00 10.00 H new ATOM 0 HB3 CYS A 42 4.874 7.052 4.973 1.00 10.00 H new ATOM 597 N GLU A 43 3.125 5.104 6.235 1.00 10.00 N ATOM 598 CA GLU A 43 1.992 4.211 6.065 1.00 10.00 C ATOM 599 C GLU A 43 0.922 4.872 5.193 1.00 10.00 C ATOM 600 O GLU A 43 0.582 6.036 5.396 1.00 10.00 O ATOM 601 CB GLU A 43 1.415 3.795 7.420 1.00 10.00 C ATOM 602 CG GLU A 43 0.831 2.382 7.356 1.00 10.00 C ATOM 603 CD GLU A 43 0.309 1.942 8.725 1.00 10.00 C ATOM 604 OE1 GLU A 43 -0.712 2.465 9.196 1.00 10.00 O ATOM 605 OE2 GLU A 43 1.003 1.021 9.303 1.00 10.00 O ATOM 0 H GLU A 43 2.878 6.078 6.412 1.00 10.00 H new ATOM 0 HA GLU A 43 2.337 3.308 5.561 1.00 10.00 H new ATOM 0 HB2 GLU A 43 2.195 3.836 8.180 1.00 10.00 H new ATOM 0 HB3 GLU A 43 0.640 4.500 7.721 1.00 10.00 H new ATOM 0 HG2 GLU A 43 0.021 2.352 6.627 1.00 10.00 H new ATOM 0 HG3 GLU A 43 1.595 1.684 7.013 1.00 10.00 H new ATOM 613 N GLY A 44 0.420 4.099 4.241 1.00 10.00 N ATOM 614 CA GLY A 44 -0.612 4.591 3.344 1.00 10.00 C ATOM 615 C GLY A 44 0.001 5.344 2.163 1.00 10.00 C ATOM 616 O GLY A 44 -0.160 6.558 2.044 1.00 10.00 O ATOM 0 H GLY A 44 0.709 3.136 4.071 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -1.208 3.756 2.977 1.00 10.00 H new ATOM 0 HA3 GLY A 44 -1.288 5.250 3.889 1.00 10.00 H new ATOM 620 N LEU A 45 0.692 4.593 1.318 1.00 10.00 N ATOM 621 CA LEU A 45 1.315 5.172 0.139 1.00 10.00 C ATOM 622 C LEU A 45 0.509 4.784 -1.101 1.00 10.00 C ATOM 623 O LEU A 45 -0.213 3.788 -1.090 1.00 10.00 O ATOM 624 CB LEU A 45 2.791 4.774 0.063 1.00 10.00 C ATOM 625 CG LEU A 45 3.706 5.386 1.125 1.00 10.00 C ATOM 626 CD1 LEU A 45 3.855 4.451 2.327 1.00 10.00 C ATOM 627 CD2 LEU A 45 5.061 5.769 0.526 1.00 10.00 C ATOM 0 H LEU A 45 0.834 3.589 1.426 1.00 10.00 H new ATOM 0 HA LEU A 45 1.305 6.260 0.198 1.00 10.00 H new ATOM 0 HB2 LEU A 45 2.858 3.689 0.136 1.00 10.00 H new ATOM 0 HB3 LEU A 45 3.172 5.052 -0.920 1.00 10.00 H new ATOM 0 HG LEU A 45 3.242 6.304 1.487 1.00 10.00 H new ATOM 0 HD11 LEU A 45 4.511 4.911 3.067 1.00 10.00 H new ATOM 0 HD12 LEU A 45 2.876 4.271 2.772 1.00 10.00 H new ATOM 0 HD13 LEU A 45 4.285 3.504 2.000 1.00 10.00 H new ATOM 0 HD21 LEU A 45 5.693 6.202 1.302 1.00 10.00 H new ATOM 0 HD22 LEU A 45 5.543 4.880 0.119 1.00 10.00 H new ATOM 0 HD23 LEU A 45 4.914 6.498 -0.271 1.00 10.00 H new ATOM 639 N PRO A 46 0.663 5.612 -2.169 1.00 10.00 N ATOM 640 CA PRO A 46 0.296 5.183 -3.508 1.00 10.00 C ATOM 641 C PRO A 46 1.328 4.205 -4.073 1.00 10.00 C ATOM 642 O PRO A 46 2.469 4.170 -3.617 1.00 10.00 O ATOM 643 CB PRO A 46 0.188 6.465 -4.317 1.00 10.00 C ATOM 644 CG PRO A 46 0.947 7.520 -3.528 1.00 10.00 C ATOM 645 CD PRO A 46 1.189 6.973 -2.131 1.00 10.00 C ATOM 0 HA PRO A 46 -0.645 4.634 -3.530 1.00 10.00 H new ATOM 0 HB2 PRO A 46 0.617 6.337 -5.311 1.00 10.00 H new ATOM 0 HB3 PRO A 46 -0.854 6.754 -4.454 1.00 10.00 H new ATOM 0 HG2 PRO A 46 1.893 7.754 -4.016 1.00 10.00 H new ATOM 0 HG3 PRO A 46 0.375 8.447 -3.481 1.00 10.00 H new ATOM 0 HD2 PRO A 46 2.250 6.981 -1.881 1.00 10.00 H new ATOM 0 HD3 PRO A 46 0.680 7.573 -1.377 1.00 10.00 H new ATOM 653 N GLU A 47 0.889 3.434 -5.058 1.00 10.00 N ATOM 654 CA GLU A 47 1.614 2.239 -5.452 1.00 10.00 C ATOM 655 C GLU A 47 2.847 2.613 -6.277 1.00 10.00 C ATOM 656 O GLU A 47 3.725 1.781 -6.500 1.00 10.00 O ATOM 657 CB GLU A 47 0.708 1.279 -6.226 1.00 10.00 C ATOM 658 CG GLU A 47 -0.381 0.701 -5.319 1.00 10.00 C ATOM 659 CD GLU A 47 -1.273 -0.277 -6.087 1.00 10.00 C ATOM 660 OE1 GLU A 47 -1.102 -1.499 -5.965 1.00 10.00 O ATOM 661 OE2 GLU A 47 -2.170 0.274 -6.832 1.00 10.00 O ATOM 0 H GLU A 47 0.040 3.614 -5.594 1.00 10.00 H new ATOM 0 HA GLU A 47 1.947 1.726 -4.550 1.00 10.00 H new ATOM 0 HB2 GLU A 47 0.248 1.803 -7.064 1.00 10.00 H new ATOM 0 HB3 GLU A 47 1.305 0.469 -6.646 1.00 10.00 H new ATOM 0 HG2 GLU A 47 0.079 0.191 -4.472 1.00 10.00 H new ATOM 0 HG3 GLU A 47 -0.988 1.510 -4.913 1.00 10.00 H new ATOM 669 N ASN A 48 2.874 3.866 -6.707 1.00 10.00 N ATOM 670 CA ASN A 48 3.951 4.343 -7.557 1.00 10.00 C ATOM 671 C ASN A 48 5.213 4.537 -6.713 1.00 10.00 C ATOM 672 O ASN A 48 6.325 4.510 -7.238 1.00 10.00 O ATOM 673 CB ASN A 48 3.596 5.688 -8.194 1.00 10.00 C ATOM 674 CG ASN A 48 3.424 6.771 -7.128 1.00 10.00 C ATOM 675 OD1 ASN A 48 2.954 6.528 -6.029 1.00 10.00 O ATOM 676 ND2 ASN A 48 3.830 7.978 -7.512 1.00 10.00 N ATOM 0 H ASN A 48 2.167 4.566 -6.482 1.00 10.00 H new ATOM 0 HA ASN A 48 4.113 3.605 -8.342 1.00 10.00 H new ATOM 0 HB2 ASN A 48 4.379 5.982 -8.893 1.00 10.00 H new ATOM 0 HB3 ASN A 48 2.676 5.590 -8.770 1.00 10.00 H new ATOM 0 HD21 ASN A 48 3.757 8.768 -6.871 1.00 10.00 H new ATOM 0 HD22 ASN A 48 4.214 8.113 -8.447 1.00 10.00 H new ATOM 683 N ALA A 49 4.997 4.730 -5.420 1.00 10.00 N ATOM 684 CA ALA A 49 6.096 5.011 -4.512 1.00 10.00 C ATOM 685 C ALA A 49 6.772 3.697 -4.115 1.00 10.00 C ATOM 686 O ALA A 49 6.104 2.753 -3.695 1.00 10.00 O ATOM 687 CB ALA A 49 5.573 5.786 -3.301 1.00 10.00 C ATOM 0 H ALA A 49 4.077 4.697 -4.980 1.00 10.00 H new ATOM 0 HA ALA A 49 6.846 5.634 -4.999 1.00 10.00 H new ATOM 0 HB1 ALA A 49 6.398 5.997 -2.620 1.00 10.00 H new ATOM 0 HB2 ALA A 49 5.128 6.724 -3.634 1.00 10.00 H new ATOM 0 HB3 ALA A 49 4.820 5.190 -2.785 1.00 10.00 H new ATOM 693 N LYS A 50 8.089 3.678 -4.262 1.00 10.00 N ATOM 694 CA LYS A 50 8.858 2.482 -3.962 1.00 10.00 C ATOM 695 C LYS A 50 9.198 2.460 -2.470 1.00 10.00 C ATOM 696 O LYS A 50 9.694 3.447 -1.928 1.00 10.00 O ATOM 697 CB LYS A 50 10.084 2.391 -4.873 1.00 10.00 C ATOM 698 CG LYS A 50 9.993 1.173 -5.794 1.00 10.00 C ATOM 699 CD LYS A 50 10.244 -0.121 -5.018 1.00 10.00 C ATOM 700 CE LYS A 50 11.692 -0.196 -4.529 1.00 10.00 C ATOM 701 NZ LYS A 50 11.783 0.220 -3.112 1.00 10.00 N ATOM 0 H LYS A 50 8.643 4.471 -4.585 1.00 10.00 H new ATOM 0 HA LYS A 50 8.269 1.589 -4.168 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.165 3.299 -5.471 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.988 2.327 -4.267 1.00 10.00 H new ATOM 0 HG2 LYS A 50 9.008 1.137 -6.259 1.00 10.00 H new ATOM 0 HG3 LYS A 50 10.722 1.266 -6.599 1.00 10.00 H new ATOM 0 HD2 LYS A 50 9.566 -0.176 -4.167 1.00 10.00 H new ATOM 0 HD3 LYS A 50 10.027 -0.979 -5.654 1.00 10.00 H new ATOM 0 HE2 LYS A 50 12.067 -1.213 -4.640 1.00 10.00 H new ATOM 0 HE3 LYS A 50 12.323 0.446 -5.144 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 12.549 -0.305 -2.645 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 11.981 1.240 -3.062 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 10.882 0.018 -2.632 1.00 10.00 H new ATOM 714 N VAL A 51 8.916 1.325 -1.848 1.00 10.00 N ATOM 715 CA VAL A 51 9.181 1.163 -0.429 1.00 10.00 C ATOM 716 C VAL A 51 9.984 -0.121 -0.207 1.00 10.00 C ATOM 717 O VAL A 51 10.030 -0.987 -1.080 1.00 10.00 O ATOM 718 CB VAL A 51 7.867 1.189 0.355 1.00 10.00 C ATOM 719 CG1 VAL A 51 6.975 2.342 -0.110 1.00 10.00 C ATOM 720 CG2 VAL A 51 7.136 -0.150 0.244 1.00 10.00 C ATOM 0 H VAL A 51 8.506 0.508 -2.301 1.00 10.00 H new ATOM 0 HA VAL A 51 9.783 1.992 -0.056 1.00 10.00 H new ATOM 0 HB VAL A 51 8.106 1.353 1.406 1.00 10.00 H new ATOM 0 HG11 VAL A 51 6.048 2.338 0.463 1.00 10.00 H new ATOM 0 HG12 VAL A 51 7.493 3.288 0.045 1.00 10.00 H new ATOM 0 HG13 VAL A 51 6.748 2.222 -1.169 1.00 10.00 H new ATOM 0 HG21 VAL A 51 6.206 -0.105 0.810 1.00 10.00 H new ATOM 0 HG22 VAL A 51 6.914 -0.358 -0.803 1.00 10.00 H new ATOM 0 HG23 VAL A 51 7.767 -0.943 0.646 1.00 10.00 H new ATOM 730 N SER A 52 10.597 -0.202 0.964 1.00 10.00 N ATOM 731 CA SER A 52 10.873 -1.491 1.576 1.00 10.00 C ATOM 732 C SER A 52 9.756 -1.854 2.557 1.00 10.00 C ATOM 733 O SER A 52 9.147 -0.975 3.164 1.00 10.00 O ATOM 734 CB SER A 52 12.225 -1.483 2.291 1.00 10.00 C ATOM 735 OG SER A 52 12.388 -2.616 3.140 1.00 10.00 O ATOM 0 H SER A 52 10.911 0.603 1.506 1.00 10.00 H new ATOM 0 HA SER A 52 10.914 -2.242 0.787 1.00 10.00 H new ATOM 0 HB2 SER A 52 13.026 -1.466 1.552 1.00 10.00 H new ATOM 0 HB3 SER A 52 12.317 -0.571 2.882 1.00 10.00 H new ATOM 0 HG SER A 52 12.996 -3.257 2.717 1.00 10.00 H new ATOM 741 N ASP A 53 9.521 -3.152 2.682 1.00 10.00 N ATOM 742 CA ASP A 53 8.653 -3.658 3.731 1.00 10.00 C ATOM 743 C ASP A 53 9.243 -4.951 4.298 1.00 10.00 C ATOM 744 O ASP A 53 8.507 -5.839 4.724 1.00 10.00 O ATOM 745 CB ASP A 53 7.258 -3.974 3.187 1.00 10.00 C ATOM 746 CG ASP A 53 7.221 -5.022 2.073 1.00 10.00 C ATOM 747 OD1 ASP A 53 8.232 -5.278 1.403 1.00 10.00 O ATOM 748 OD2 ASP A 53 6.078 -5.596 1.901 1.00 10.00 O ATOM 0 H ASP A 53 9.917 -3.869 2.074 1.00 10.00 H new ATOM 0 HA ASP A 53 8.575 -2.891 4.502 1.00 10.00 H new ATOM 0 HB2 ASP A 53 6.633 -4.319 4.011 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.813 -3.052 2.813 1.00 10.00 H new ATOM 754 N SER A 54 10.567 -5.014 4.284 1.00 10.00 N ATOM 755 CA SER A 54 11.262 -6.227 4.680 1.00 10.00 C ATOM 756 C SER A 54 12.621 -5.877 5.289 1.00 10.00 C ATOM 757 O SER A 54 13.654 -6.361 4.830 1.00 10.00 O ATOM 758 CB SER A 54 11.441 -7.172 3.490 1.00 10.00 C ATOM 759 OG SER A 54 11.958 -6.498 2.346 1.00 10.00 O ATOM 0 H SER A 54 11.176 -4.245 4.005 1.00 10.00 H new ATOM 0 HA SER A 54 10.657 -6.739 5.428 1.00 10.00 H new ATOM 0 HB2 SER A 54 12.115 -7.982 3.769 1.00 10.00 H new ATOM 0 HB3 SER A 54 10.482 -7.626 3.240 1.00 10.00 H new ATOM 0 HG SER A 54 12.694 -5.911 2.617 1.00 10.00 H new ATOM 765 N ALA A 55 12.576 -5.039 6.314 1.00 10.00 N ATOM 766 CA ALA A 55 13.777 -4.702 7.059 1.00 10.00 C ATOM 767 C ALA A 55 14.813 -4.105 6.105 1.00 10.00 C ATOM 768 O ALA A 55 15.922 -4.623 5.984 1.00 10.00 O ATOM 769 CB ALA A 55 14.297 -5.948 7.778 1.00 10.00 C ATOM 0 H ALA A 55 11.726 -4.583 6.646 1.00 10.00 H new ATOM 0 HA ALA A 55 13.559 -3.953 7.820 1.00 10.00 H new ATOM 0 HB1 ALA A 55 15.198 -5.696 8.337 1.00 10.00 H new ATOM 0 HB2 ALA A 55 13.535 -6.316 8.465 1.00 10.00 H new ATOM 0 HB3 ALA A 55 14.529 -6.721 7.045 1.00 10.00 H new ATOM 775 N THR A 56 14.415 -3.022 5.453 1.00 10.00 N ATOM 776 CA THR A 56 15.376 -2.130 4.827 1.00 10.00 C ATOM 777 C THR A 56 15.878 -2.726 3.510 1.00 10.00 C ATOM 778 O THR A 56 15.516 -2.253 2.433 1.00 10.00 O ATOM 779 CB THR A 56 16.493 -1.856 5.835 1.00 10.00 C ATOM 780 OG1 THR A 56 15.803 -1.561 7.047 1.00 10.00 O ATOM 781 CG2 THR A 56 17.263 -0.571 5.522 1.00 10.00 C ATOM 0 H THR A 56 13.440 -2.742 5.345 1.00 10.00 H new ATOM 0 HA THR A 56 14.917 -1.177 4.562 1.00 10.00 H new ATOM 0 HB THR A 56 17.184 -2.699 5.848 1.00 10.00 H new ATOM 0 HG1 THR A 56 16.453 -1.372 7.756 1.00 10.00 H new ATOM 0 HG21 THR A 56 18.044 -0.424 6.268 1.00 10.00 H new ATOM 0 HG22 THR A 56 17.715 -0.650 4.533 1.00 10.00 H new ATOM 0 HG23 THR A 56 16.579 0.277 5.541 1.00 10.00 H new ATOM 789 N ASN A 57 16.703 -3.754 3.640 1.00 10.00 N ATOM 790 CA ASN A 57 17.333 -4.359 2.478 1.00 10.00 C ATOM 791 C ASN A 57 17.689 -3.266 1.470 1.00 10.00 C ATOM 792 O ASN A 57 17.573 -3.468 0.262 1.00 10.00 O ATOM 793 CB ASN A 57 16.387 -5.346 1.791 1.00 10.00 C ATOM 794 CG ASN A 57 15.079 -4.663 1.389 1.00 10.00 C ATOM 795 OD1 ASN A 57 14.134 -4.574 2.155 1.00 10.00 O ATOM 796 ND2 ASN A 57 15.077 -4.187 0.147 1.00 10.00 N ATOM 0 H ASN A 57 16.950 -4.184 4.532 1.00 10.00 H new ATOM 0 HA ASN A 57 18.225 -4.888 2.814 1.00 10.00 H new ATOM 0 HB2 ASN A 57 16.870 -5.763 0.907 1.00 10.00 H new ATOM 0 HB3 ASN A 57 16.175 -6.179 2.461 1.00 10.00 H new ATOM 0 HD21 ASN A 57 14.250 -3.714 -0.216 1.00 10.00 H new ATOM 0 HD22 ASN A 57 15.903 -4.295 -0.442 1.00 10.00 H new ATOM 803 N ILE A 58 18.117 -2.130 2.002 1.00 10.00 N ATOM 804 CA ILE A 58 18.528 -1.018 1.163 1.00 10.00 C ATOM 805 C ILE A 58 19.615 -0.216 1.882 1.00 10.00 C ATOM 806 O ILE A 58 19.456 0.147 3.046 1.00 10.00 O ATOM 807 CB ILE A 58 17.315 -0.179 0.753 1.00 10.00 C ATOM 808 CG1 ILE A 58 16.530 -0.863 -0.368 1.00 10.00 C ATOM 809 CG2 ILE A 58 17.734 1.243 0.375 1.00 10.00 C ATOM 810 CD1 ILE A 58 15.483 0.083 -0.959 1.00 10.00 C ATOM 0 H ILE A 58 18.188 -1.956 3.005 1.00 10.00 H new ATOM 0 HA ILE A 58 18.963 -1.384 0.233 1.00 10.00 H new ATOM 0 HB ILE A 58 16.648 -0.100 1.611 1.00 10.00 H new ATOM 0 HG12 ILE A 58 17.215 -1.188 -1.151 1.00 10.00 H new ATOM 0 HG13 ILE A 58 16.041 -1.757 0.019 1.00 10.00 H new ATOM 0 HG21 ILE A 58 16.853 1.818 0.088 1.00 10.00 H new ATOM 0 HG22 ILE A 58 18.216 1.720 1.229 1.00 10.00 H new ATOM 0 HG23 ILE A 58 18.432 1.206 -0.461 1.00 10.00 H new ATOM 0 HD11 ILE A 58 14.939 -0.427 -1.754 1.00 10.00 H new ATOM 0 HD12 ILE A 58 14.785 0.387 -0.179 1.00 10.00 H new ATOM 0 HD13 ILE A 58 15.978 0.965 -1.366 1.00 10.00 H new ATOM 822 N CYS A 59 20.696 0.036 1.158 1.00 10.00 N ATOM 823 CA CYS A 59 21.944 0.430 1.789 1.00 10.00 C ATOM 824 C CYS A 59 22.146 -0.434 3.035 1.00 10.00 C ATOM 825 O CYS A 59 22.452 0.081 4.109 1.00 10.00 O ATOM 826 CB CYS A 59 21.963 1.923 2.121 1.00 10.00 C ATOM 827 SG CYS A 59 22.220 3.026 0.683 1.00 10.00 S ATOM 0 H CYS A 59 20.733 -0.025 0.141 1.00 10.00 H new ATOM 0 HA CYS A 59 22.771 0.268 1.098 1.00 10.00 H new ATOM 0 HB2 CYS A 59 21.020 2.187 2.599 1.00 10.00 H new ATOM 0 HB3 CYS A 59 22.752 2.109 2.849 1.00 10.00 H new ATOM 832 N GLY A 60 21.967 -1.734 2.850 1.00 10.00 N ATOM 833 CA GLY A 60 21.941 -2.654 3.975 1.00 10.00 C ATOM 834 C GLY A 60 20.677 -2.458 4.815 1.00 10.00 C ATOM 835 O GLY A 60 19.568 -2.696 4.338 1.00 10.00 O ATOM 0 H GLY A 60 21.839 -2.172 1.938 1.00 10.00 H new ATOM 0 HA2 GLY A 60 21.984 -3.680 3.611 1.00 10.00 H new ATOM 0 HA3 GLY A 60 22.823 -2.499 4.597 1.00 10.00 H new TER 839 GLY A 60