USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 273 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 1 ASP N :NH3+ -174:sc= -0.0327 (180deg=-0.169) USER MOD Set 1.2: A 40 THR OG1 : rot 160:sc= 0.0761 USER MOD Set 2.1: A 6 TYR OH : rot -178:sc= -0.0666 USER MOD Set 2.2: A 10 ASN : amide:sc= -0.0879 K(o=1.2,f=-1.5!) USER MOD Set 2.3: A 20 SER OG : rot 172:sc= 1.31 USER MOD Single : A 9 THR OG1 : rot -21:sc= 0.169! USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= -1.17 (180deg=-2.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= -1.39 (180deg=-1.45) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.821 USER MOD Single : A 31 SER OG : rot -177:sc= -0.518 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -3.32! K(o=-3.3!,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 10.785 24.129 12.235 1.00 40.00 N ATOM 2 CA ASP A 1 10.365 24.388 13.644 1.00 40.00 C ATOM 3 C ASP A 1 9.127 23.557 13.995 1.00 40.00 C ATOM 4 O ASP A 1 8.916 23.202 15.139 1.00 40.00 O ATOM 5 CB ASP A 1 10.047 25.885 13.701 1.00 40.00 C ATOM 6 CG ASP A 1 11.314 26.658 14.069 1.00 40.00 C ATOM 7 OD1 ASP A 1 11.772 26.508 15.188 1.00 40.00 O ATOM 8 OD2 ASP A 1 11.806 27.386 13.223 1.00 40.00 O ATOM 0 H1 ASP A 1 11.682 24.620 12.044 1.00 40.00 H new ATOM 0 H2 ASP A 1 10.913 23.107 12.093 1.00 40.00 H new ATOM 0 H3 ASP A 1 10.053 24.480 11.585 1.00 40.00 H new ATOM 0 HA ASP A 1 11.140 24.112 14.359 1.00 40.00 H new ATOM 0 HB2 ASP A 1 9.667 26.225 12.737 1.00 40.00 H new ATOM 0 HB3 ASP A 1 9.265 26.075 14.437 1.00 40.00 H new ATOM 15 N ASP A 2 8.315 23.238 13.019 1.00 19.31 N ATOM 16 CA ASP A 2 7.092 22.419 13.295 1.00 19.31 C ATOM 17 C ASP A 2 7.442 20.928 13.222 1.00 19.31 C ATOM 18 O ASP A 2 6.987 20.217 12.345 1.00 19.31 O ATOM 19 CB ASP A 2 6.068 22.801 12.197 1.00 19.31 C ATOM 20 CG ASP A 2 5.550 24.217 12.461 1.00 19.31 C ATOM 21 OD1 ASP A 2 6.321 25.148 12.306 1.00 19.31 O ATOM 22 OD2 ASP A 2 4.390 24.346 12.817 1.00 19.31 O ATOM 0 H ASP A 2 8.444 23.508 12.044 1.00 19.31 H new ATOM 0 HA ASP A 2 6.686 22.608 14.289 1.00 19.31 H new ATOM 0 HB2 ASP A 2 6.535 22.750 11.214 1.00 19.31 H new ATOM 0 HB3 ASP A 2 5.239 22.093 12.194 1.00 19.31 H new ATOM 27 N GLY A 3 8.231 20.450 14.150 1.00 5.41 N ATOM 28 CA GLY A 3 8.604 19.001 14.156 1.00 5.41 C ATOM 29 C GLY A 3 9.740 18.739 15.151 1.00 5.41 C ATOM 30 O GLY A 3 10.023 19.550 16.014 1.00 5.41 O ATOM 0 H GLY A 3 8.635 21.002 14.907 1.00 5.41 H new ATOM 0 HA2 GLY A 3 7.736 18.398 14.421 1.00 5.41 H new ATOM 0 HA3 GLY A 3 8.912 18.695 13.156 1.00 5.41 H new ATOM 34 N LEU A 4 10.382 17.601 15.042 1.00 1.33 N ATOM 35 CA LEU A 4 11.495 17.259 15.985 1.00 1.33 C ATOM 36 C LEU A 4 12.706 16.734 15.192 1.00 1.33 C ATOM 37 O LEU A 4 12.652 16.619 13.982 1.00 1.33 O ATOM 38 CB LEU A 4 10.960 16.147 16.905 1.00 1.33 C ATOM 39 CG LEU A 4 9.582 16.504 17.488 1.00 1.33 C ATOM 40 CD1 LEU A 4 8.918 15.233 18.020 1.00 1.33 C ATOM 41 CD2 LEU A 4 9.749 17.501 18.639 1.00 1.33 C ATOM 0 H LEU A 4 10.183 16.891 14.338 1.00 1.33 H new ATOM 0 HA LEU A 4 11.813 18.131 16.556 1.00 1.33 H new ATOM 0 HB2 LEU A 4 10.888 15.215 16.345 1.00 1.33 H new ATOM 0 HB3 LEU A 4 11.666 15.976 17.718 1.00 1.33 H new ATOM 0 HG LEU A 4 8.964 16.950 16.709 1.00 1.33 H new ATOM 0 HD11 LEU A 4 7.941 15.479 18.435 1.00 1.33 H new ATOM 0 HD12 LEU A 4 8.797 14.518 17.206 1.00 1.33 H new ATOM 0 HD13 LEU A 4 9.542 14.795 18.799 1.00 1.33 H new ATOM 0 HD21 LEU A 4 8.770 17.751 19.049 1.00 1.33 H new ATOM 0 HD22 LEU A 4 10.366 17.056 19.419 1.00 1.33 H new ATOM 0 HD23 LEU A 4 10.229 18.407 18.269 1.00 1.33 H new ATOM 53 N CYS A 5 13.790 16.398 15.861 1.00 1.07 N ATOM 54 CA CYS A 5 14.991 15.859 15.127 1.00 1.07 C ATOM 55 C CYS A 5 15.776 14.920 16.036 1.00 1.07 C ATOM 56 O CYS A 5 16.110 15.260 17.156 1.00 1.07 O ATOM 57 CB CYS A 5 15.852 17.066 14.753 1.00 1.07 C ATOM 58 SG CYS A 5 17.156 16.518 13.626 1.00 1.07 S ATOM 0 H CYS A 5 13.896 16.472 16.873 1.00 1.07 H new ATOM 0 HA CYS A 5 14.694 15.298 14.241 1.00 1.07 H new ATOM 0 HB2 CYS A 5 15.241 17.834 14.279 1.00 1.07 H new ATOM 0 HB3 CYS A 5 16.288 17.512 15.647 1.00 1.07 H new ATOM 63 N TYR A 6 16.082 13.747 15.554 1.00 1.03 N ATOM 64 CA TYR A 6 16.859 12.777 16.380 1.00 1.03 C ATOM 65 C TYR A 6 17.862 12.046 15.485 1.00 1.03 C ATOM 66 O TYR A 6 17.962 12.338 14.304 1.00 1.03 O ATOM 67 CB TYR A 6 15.801 11.854 17.022 1.00 1.03 C ATOM 68 CG TYR A 6 15.014 11.093 15.992 1.00 1.03 C ATOM 69 CD1 TYR A 6 15.488 9.850 15.509 1.00 1.03 C ATOM 70 CD2 TYR A 6 13.778 11.608 15.538 1.00 1.03 C ATOM 71 CE1 TYR A 6 14.724 9.118 14.563 1.00 1.03 C ATOM 72 CE2 TYR A 6 13.011 10.881 14.588 1.00 1.03 C ATOM 73 CZ TYR A 6 13.485 9.633 14.100 1.00 1.03 C ATOM 74 OH TYR A 6 12.744 8.920 13.182 1.00 1.03 O ATOM 0 H TYR A 6 15.828 13.417 14.623 1.00 1.03 H new ATOM 0 HA TYR A 6 17.457 13.239 17.165 1.00 1.03 H new ATOM 0 HB2 TYR A 6 16.294 11.151 17.693 1.00 1.03 H new ATOM 0 HB3 TYR A 6 15.120 12.451 17.629 1.00 1.03 H new ATOM 0 HD1 TYR A 6 16.431 9.458 15.860 1.00 1.03 H new ATOM 0 HD2 TYR A 6 13.417 12.554 15.913 1.00 1.03 H new ATOM 0 HE1 TYR A 6 15.085 8.169 14.195 1.00 1.03 H new ATOM 0 HE2 TYR A 6 12.069 11.276 14.237 1.00 1.03 H new ATOM 0 HH TYR A 6 11.939 9.427 12.947 1.00 1.03 H new ATOM 84 N GLU A 7 18.627 11.128 16.025 1.00 0.61 N ATOM 85 CA GLU A 7 19.638 10.429 15.182 1.00 0.61 C ATOM 86 C GLU A 7 19.366 8.921 15.166 1.00 0.61 C ATOM 87 O GLU A 7 18.828 8.360 16.103 1.00 0.61 O ATOM 88 CB GLU A 7 20.993 10.761 15.839 1.00 0.61 C ATOM 89 CG GLU A 7 21.265 9.910 17.080 1.00 0.61 C ATOM 90 CD GLU A 7 22.397 10.537 17.896 1.00 0.61 C ATOM 91 OE1 GLU A 7 22.149 11.543 18.541 1.00 0.61 O ATOM 92 OE2 GLU A 7 23.491 9.998 17.864 1.00 0.61 O ATOM 0 H GLU A 7 18.594 10.837 17.002 1.00 0.61 H new ATOM 0 HA GLU A 7 19.614 10.747 14.140 1.00 0.61 H new ATOM 0 HB2 GLU A 7 21.792 10.607 15.114 1.00 0.61 H new ATOM 0 HB3 GLU A 7 21.011 11.816 16.114 1.00 0.61 H new ATOM 0 HG2 GLU A 7 20.363 9.837 17.688 1.00 0.61 H new ATOM 0 HG3 GLU A 7 21.534 8.896 16.786 1.00 0.61 H new ATOM 99 N GLY A 8 19.745 8.276 14.098 1.00 0.49 N ATOM 100 CA GLY A 8 19.527 6.807 13.985 1.00 0.49 C ATOM 101 C GLY A 8 19.469 6.347 12.518 1.00 0.49 C ATOM 102 O GLY A 8 20.471 6.350 11.828 1.00 0.49 O ATOM 0 H GLY A 8 20.200 8.707 13.293 1.00 0.49 H new ATOM 0 HA2 GLY A 8 20.331 6.280 14.499 1.00 0.49 H new ATOM 0 HA3 GLY A 8 18.597 6.538 14.487 1.00 0.49 H new ATOM 106 N THR A 9 18.312 5.916 12.041 1.00 0.74 N ATOM 107 CA THR A 9 18.220 5.420 10.638 1.00 0.74 C ATOM 108 C THR A 9 16.759 5.472 10.105 1.00 0.74 C ATOM 109 O THR A 9 16.385 4.676 9.264 1.00 0.74 O ATOM 110 CB THR A 9 18.633 3.966 10.797 1.00 0.74 C ATOM 111 OG1 THR A 9 19.925 3.901 11.384 1.00 0.74 O ATOM 112 CG2 THR A 9 18.646 3.235 9.446 1.00 0.74 C ATOM 0 H THR A 9 17.439 5.891 12.568 1.00 0.74 H new ATOM 0 HA THR A 9 18.820 6.005 9.941 1.00 0.74 H new ATOM 0 HB THR A 9 17.904 3.475 11.441 1.00 0.74 H new ATOM 0 HG1 THR A 9 20.389 4.753 11.248 1.00 0.74 H new ATOM 0 HG21 THR A 9 18.946 2.198 9.596 1.00 0.74 H new ATOM 0 HG22 THR A 9 17.649 3.265 9.007 1.00 0.74 H new ATOM 0 HG23 THR A 9 19.353 3.723 8.775 1.00 0.74 H new ATOM 120 N ASN A 10 15.909 6.337 10.622 1.00 0.97 N ATOM 121 CA ASN A 10 14.467 6.328 10.167 1.00 0.97 C ATOM 122 C ASN A 10 14.251 6.887 8.758 1.00 0.97 C ATOM 123 O ASN A 10 13.230 6.634 8.142 1.00 0.97 O ATOM 124 CB ASN A 10 13.716 7.126 11.235 1.00 0.97 C ATOM 125 CG ASN A 10 12.214 7.191 10.897 1.00 0.97 C ATOM 126 OD1 ASN A 10 11.513 6.212 11.054 1.00 0.97 O ATOM 127 ND2 ASN A 10 11.680 8.299 10.431 1.00 0.97 N ATOM 0 H ASN A 10 16.142 7.037 11.326 1.00 0.97 H new ATOM 0 HA ASN A 10 14.099 5.306 10.077 1.00 0.97 H new ATOM 0 HB2 ASN A 10 13.856 6.662 12.211 1.00 0.97 H new ATOM 0 HB3 ASN A 10 14.125 8.134 11.300 1.00 0.97 H new ATOM 0 HD21 ASN A 10 10.686 8.330 10.205 1.00 0.97 H new ATOM 0 HD22 ASN A 10 12.260 9.127 10.295 1.00 0.97 H new ATOM 134 N CYS A 11 15.195 7.582 8.231 1.00 1.21 N ATOM 135 CA CYS A 11 15.058 8.103 6.827 1.00 1.21 C ATOM 136 C CYS A 11 16.321 7.839 6.048 1.00 1.21 C ATOM 137 O CYS A 11 16.648 8.550 5.115 1.00 1.21 O ATOM 138 CB CYS A 11 14.771 9.603 6.934 1.00 1.21 C ATOM 139 SG CYS A 11 13.023 9.886 7.334 1.00 1.21 S ATOM 0 H CYS A 11 16.069 7.824 8.699 1.00 1.21 H new ATOM 0 HA CYS A 11 14.248 7.603 6.296 1.00 1.21 H new ATOM 0 HB2 CYS A 11 15.403 10.047 7.703 1.00 1.21 H new ATOM 0 HB3 CYS A 11 15.020 10.095 5.994 1.00 1.21 H new ATOM 144 N GLY A 12 17.024 6.811 6.416 1.00 2.22 N ATOM 145 CA GLY A 12 18.266 6.488 5.682 1.00 2.22 C ATOM 146 C GLY A 12 19.362 7.501 6.030 1.00 2.22 C ATOM 147 O GLY A 12 20.241 7.773 5.235 1.00 2.22 O ATOM 0 H GLY A 12 16.793 6.186 7.188 1.00 2.22 H new ATOM 0 HA2 GLY A 12 18.597 5.481 5.937 1.00 2.22 H new ATOM 0 HA3 GLY A 12 18.077 6.500 4.609 1.00 2.22 H new ATOM 151 N LYS A 13 19.294 8.087 7.197 1.00 1.48 N ATOM 152 CA LYS A 13 20.303 9.119 7.595 1.00 1.48 C ATOM 153 C LYS A 13 21.534 8.518 8.262 1.00 1.48 C ATOM 154 O LYS A 13 22.020 9.011 9.260 1.00 1.48 O ATOM 155 CB LYS A 13 19.538 10.008 8.544 1.00 1.48 C ATOM 156 CG LYS A 13 19.347 9.319 9.901 1.00 1.48 C ATOM 157 CD LYS A 13 18.200 9.979 10.625 1.00 1.48 C ATOM 158 CE LYS A 13 18.109 9.457 12.053 1.00 1.48 C ATOM 159 NZ LYS A 13 16.658 9.267 12.346 1.00 1.48 N ATOM 0 H LYS A 13 18.578 7.895 7.898 1.00 1.48 H new ATOM 0 HA LYS A 13 20.705 9.651 6.733 1.00 1.48 H new ATOM 0 HB2 LYS A 13 20.073 10.948 8.680 1.00 1.48 H new ATOM 0 HB3 LYS A 13 18.566 10.254 8.116 1.00 1.48 H new ATOM 0 HG2 LYS A 13 19.143 8.258 9.760 1.00 1.48 H new ATOM 0 HG3 LYS A 13 20.259 9.392 10.493 1.00 1.48 H new ATOM 0 HD2 LYS A 13 18.340 11.060 10.633 1.00 1.48 H new ATOM 0 HD3 LYS A 13 17.266 9.782 10.098 1.00 1.48 H new ATOM 0 HE2 LYS A 13 18.652 8.517 12.157 1.00 1.48 H new ATOM 0 HE3 LYS A 13 18.556 10.163 12.753 1.00 1.48 H new ATOM 0 HZ1 LYS A 13 16.550 8.682 13.199 1.00 1.48 H new ATOM 0 HZ2 LYS A 13 16.211 10.193 12.502 1.00 1.48 H new ATOM 0 HZ3 LYS A 13 16.200 8.793 11.541 1.00 1.48 H new ATOM 173 N VAL A 14 22.052 7.494 7.684 1.00 1.14 N ATOM 174 CA VAL A 14 23.293 6.874 8.236 1.00 1.14 C ATOM 175 C VAL A 14 24.431 7.895 8.062 1.00 1.14 C ATOM 176 O VAL A 14 24.818 8.194 6.946 1.00 1.14 O ATOM 177 CB VAL A 14 23.523 5.612 7.379 1.00 1.14 C ATOM 178 CG1 VAL A 14 24.918 5.020 7.637 1.00 1.14 C ATOM 179 CG2 VAL A 14 22.466 4.548 7.708 1.00 1.14 C ATOM 0 H VAL A 14 21.678 7.046 6.847 1.00 1.14 H new ATOM 0 HA VAL A 14 23.235 6.609 9.292 1.00 1.14 H new ATOM 0 HB VAL A 14 23.445 5.903 6.331 1.00 1.14 H new ATOM 0 HG11 VAL A 14 25.056 4.131 7.021 1.00 1.14 H new ATOM 0 HG12 VAL A 14 25.679 5.758 7.384 1.00 1.14 H new ATOM 0 HG13 VAL A 14 25.010 4.750 8.689 1.00 1.14 H new ATOM 0 HG21 VAL A 14 22.639 3.662 7.097 1.00 1.14 H new ATOM 0 HG22 VAL A 14 22.535 4.280 8.762 1.00 1.14 H new ATOM 0 HG23 VAL A 14 21.473 4.945 7.499 1.00 1.14 H new ATOM 189 N GLY A 15 24.978 8.427 9.138 1.00 1.34 N ATOM 190 CA GLY A 15 26.094 9.415 8.972 1.00 1.34 C ATOM 191 C GLY A 15 25.609 10.844 9.298 1.00 1.34 C ATOM 192 O GLY A 15 26.404 11.687 9.670 1.00 1.34 O ATOM 0 H GLY A 15 24.706 8.224 10.100 1.00 1.34 H new ATOM 0 HA2 GLY A 15 26.923 9.148 9.627 1.00 1.34 H new ATOM 0 HA3 GLY A 15 26.471 9.378 7.950 1.00 1.34 H new ATOM 196 N LYS A 16 24.324 11.132 9.178 1.00 0.46 N ATOM 197 CA LYS A 16 23.830 12.516 9.506 1.00 0.46 C ATOM 198 C LYS A 16 22.578 12.398 10.406 1.00 0.46 C ATOM 199 O LYS A 16 22.526 11.496 11.223 1.00 0.46 O ATOM 200 CB LYS A 16 23.528 13.178 8.166 1.00 0.46 C ATOM 201 CG LYS A 16 24.755 13.098 7.243 1.00 0.46 C ATOM 202 CD LYS A 16 24.578 14.050 6.048 1.00 0.46 C ATOM 203 CE LYS A 16 24.420 13.242 4.755 1.00 0.46 C ATOM 204 NZ LYS A 16 22.989 12.830 4.721 1.00 0.46 N ATOM 0 H LYS A 16 23.606 10.476 8.871 1.00 0.46 H new ATOM 0 HA LYS A 16 24.556 13.115 10.056 1.00 0.46 H new ATOM 0 HB2 LYS A 16 22.677 12.687 7.694 1.00 0.46 H new ATOM 0 HB3 LYS A 16 23.249 14.220 8.322 1.00 0.46 H new ATOM 0 HG2 LYS A 16 25.655 13.361 7.798 1.00 0.46 H new ATOM 0 HG3 LYS A 16 24.887 12.076 6.888 1.00 0.46 H new ATOM 0 HD2 LYS A 16 23.703 14.681 6.202 1.00 0.46 H new ATOM 0 HD3 LYS A 16 25.440 14.713 5.970 1.00 0.46 H new ATOM 0 HE2 LYS A 16 24.677 13.842 3.882 1.00 0.46 H new ATOM 0 HE3 LYS A 16 25.079 12.374 4.751 1.00 0.46 H new ATOM 0 HZ1 LYS A 16 22.809 12.272 3.862 1.00 0.46 H new ATOM 0 HZ2 LYS A 16 22.774 12.254 5.559 1.00 0.46 H new ATOM 0 HZ3 LYS A 16 22.384 13.676 4.718 1.00 0.46 H new ATOM 218 N TYR A 17 21.566 13.265 10.305 1.00 0.33 N ATOM 219 CA TYR A 17 20.383 13.084 11.223 1.00 0.33 C ATOM 220 C TYR A 17 19.059 13.364 10.474 1.00 0.33 C ATOM 221 O TYR A 17 19.082 13.733 9.307 1.00 0.33 O ATOM 222 CB TYR A 17 20.594 14.043 12.408 1.00 0.33 C ATOM 223 CG TYR A 17 22.044 14.036 12.865 1.00 0.33 C ATOM 224 CD1 TYR A 17 22.500 12.981 13.688 1.00 0.33 C ATOM 225 CD2 TYR A 17 22.932 15.083 12.499 1.00 0.33 C ATOM 226 CE1 TYR A 17 23.835 12.953 14.144 1.00 0.33 C ATOM 227 CE2 TYR A 17 24.276 15.066 12.961 1.00 0.33 C ATOM 228 CZ TYR A 17 24.731 13.997 13.784 1.00 0.33 C ATOM 229 OH TYR A 17 26.037 13.979 14.235 1.00 0.33 O ATOM 0 H TYR A 17 21.515 14.050 9.656 1.00 0.33 H new ATOM 0 HA TYR A 17 20.310 12.057 11.582 1.00 0.33 H new ATOM 0 HB2 TYR A 17 20.305 15.053 12.118 1.00 0.33 H new ATOM 0 HB3 TYR A 17 19.947 13.752 13.235 1.00 0.33 H new ATOM 0 HD1 TYR A 17 21.821 12.190 13.970 1.00 0.33 H new ATOM 0 HD2 TYR A 17 22.586 15.891 11.871 1.00 0.33 H new ATOM 0 HE1 TYR A 17 24.176 12.139 14.766 1.00 0.33 H new ATOM 0 HE2 TYR A 17 24.952 15.863 12.688 1.00 0.33 H new ATOM 0 HH TYR A 17 26.511 14.766 13.895 1.00 0.33 H new ATOM 239 N CYS A 18 17.893 13.142 11.103 1.00 0.61 N ATOM 240 CA CYS A 18 16.617 13.337 10.355 1.00 0.61 C ATOM 241 C CYS A 18 15.535 13.986 11.188 1.00 0.61 C ATOM 242 O CYS A 18 15.640 14.149 12.393 1.00 0.61 O ATOM 243 CB CYS A 18 16.127 11.929 10.000 1.00 0.61 C ATOM 244 SG CYS A 18 17.238 11.178 8.804 1.00 0.61 S ATOM 0 H CYS A 18 17.795 12.844 12.073 1.00 0.61 H new ATOM 0 HA CYS A 18 16.805 13.984 9.498 1.00 0.61 H new ATOM 0 HB2 CYS A 18 16.077 11.314 10.899 1.00 0.61 H new ATOM 0 HB3 CYS A 18 15.118 11.978 9.591 1.00 0.61 H new ATOM 249 N CYS A 19 14.478 14.337 10.521 0.50 1.16 N ATOM 250 CA CYS A 19 13.314 14.963 11.173 0.50 1.16 C ATOM 251 C CYS A 19 12.050 14.290 10.645 0.50 1.16 C ATOM 252 O CYS A 19 11.522 14.654 9.590 0.50 1.16 O ATOM 253 CB CYS A 19 13.410 16.422 10.761 0.50 1.16 C ATOM 254 SG CYS A 19 13.901 16.481 9.028 0.50 1.16 S ATOM 0 H CYS A 19 14.375 14.209 9.514 0.50 1.16 H new ATOM 0 HA CYS A 19 13.289 14.866 12.258 0.50 1.16 H new ATOM 0 HB2 CYS A 19 12.452 16.922 10.903 0.50 1.16 H new ATOM 0 HB3 CYS A 19 14.137 16.946 11.381 0.50 1.16 H new ATOM 259 N SER A 20 11.615 13.268 11.368 0.50 10.78 N ATOM 260 CA SER A 20 10.398 12.473 11.008 0.50 10.78 C ATOM 261 C SER A 20 10.231 11.316 12.008 0.50 10.78 C ATOM 262 O SER A 20 11.199 10.651 12.316 0.50 10.78 O ATOM 263 CB SER A 20 10.654 11.902 9.621 0.50 10.78 C ATOM 264 OG SER A 20 11.668 10.909 9.702 0.50 10.78 O ATOM 0 H SER A 20 12.076 12.950 12.220 0.50 10.78 H new ATOM 0 HA SER A 20 9.498 13.088 11.030 0.50 10.78 H new ATOM 0 HB2 SER A 20 9.738 11.471 9.218 0.50 10.78 H new ATOM 0 HB3 SER A 20 10.960 12.696 8.939 0.50 10.78 H new ATOM 0 HG SER A 20 11.748 10.452 8.839 0.50 10.78 H new ATOM 270 N PRO A 21 9.023 11.070 12.456 0.50 40.00 N ATOM 271 CA PRO A 21 8.794 9.937 13.384 0.50 40.00 C ATOM 272 C PRO A 21 8.803 8.642 12.566 0.50 40.00 C ATOM 273 O PRO A 21 9.401 7.651 12.935 0.50 40.00 O ATOM 274 CB PRO A 21 7.419 10.226 13.979 0.50 40.00 C ATOM 275 CG PRO A 21 6.723 11.086 12.965 0.50 40.00 C ATOM 276 CD PRO A 21 7.783 11.793 12.152 0.50 40.00 C ATOM 0 HA PRO A 21 9.546 9.827 14.166 0.50 40.00 H new ATOM 0 HB2 PRO A 21 6.866 9.304 14.159 0.50 40.00 H new ATOM 0 HB3 PRO A 21 7.505 10.738 14.937 0.50 40.00 H new ATOM 0 HG2 PRO A 21 6.089 10.478 12.320 0.50 40.00 H new ATOM 0 HG3 PRO A 21 6.075 11.810 13.459 0.50 40.00 H new ATOM 0 HD2 PRO A 21 7.555 11.759 11.087 0.50 40.00 H new ATOM 0 HD3 PRO A 21 7.859 12.845 12.428 0.50 40.00 H new ATOM 284 N ILE A 22 8.171 8.686 11.428 0.50 40.00 N ATOM 285 CA ILE A 22 8.141 7.515 10.499 0.50 40.00 C ATOM 286 C ILE A 22 8.328 8.048 9.069 0.50 40.00 C ATOM 287 O ILE A 22 9.123 7.549 8.297 0.50 40.00 O ATOM 288 CB ILE A 22 6.775 6.835 10.719 0.50 40.00 C ATOM 289 CG1 ILE A 22 6.685 5.562 9.870 0.50 40.00 C ATOM 290 CG2 ILE A 22 5.627 7.775 10.344 0.50 40.00 C ATOM 291 CD1 ILE A 22 5.521 4.699 10.367 0.50 40.00 C ATOM 0 H ILE A 22 7.661 9.503 11.092 0.50 40.00 H new ATOM 0 HA ILE A 22 8.931 6.784 10.675 0.50 40.00 H new ATOM 0 HB ILE A 22 6.688 6.583 11.776 0.50 40.00 H new ATOM 0 HG12 ILE A 22 6.538 5.821 8.821 0.50 40.00 H new ATOM 0 HG13 ILE A 22 7.619 5.003 9.933 0.50 40.00 H new ATOM 0 HG21 ILE A 22 4.675 7.270 10.509 0.50 40.00 H new ATOM 0 HG22 ILE A 22 5.674 8.672 10.962 0.50 40.00 H new ATOM 0 HG23 ILE A 22 5.713 8.054 9.294 0.50 40.00 H new ATOM 0 HD11 ILE A 22 5.456 3.793 9.764 0.50 40.00 H new ATOM 0 HD12 ILE A 22 5.687 4.429 11.410 0.50 40.00 H new ATOM 0 HD13 ILE A 22 4.590 5.259 10.281 0.50 40.00 H new ATOM 303 N GLY A 23 7.643 9.108 8.761 0.50 22.92 N ATOM 304 CA GLY A 23 7.776 9.790 7.449 0.50 22.92 C ATOM 305 C GLY A 23 6.765 10.908 7.195 0.50 22.92 C ATOM 306 O GLY A 23 6.474 11.200 6.048 0.50 22.92 O ATOM 0 H GLY A 23 6.970 9.546 9.390 0.50 22.92 H new ATOM 0 HA2 GLY A 23 8.781 10.206 7.373 0.50 22.92 H new ATOM 0 HA3 GLY A 23 7.678 9.046 6.658 0.50 22.92 H new ATOM 310 N LYS A 24 6.258 11.584 8.209 0.50 40.00 N ATOM 311 CA LYS A 24 5.315 12.719 7.914 0.50 40.00 C ATOM 312 C LYS A 24 6.049 13.737 7.011 0.50 40.00 C ATOM 313 O LYS A 24 5.447 14.474 6.255 0.50 40.00 O ATOM 314 CB LYS A 24 4.908 13.320 9.267 0.50 40.00 C ATOM 315 CG LYS A 24 6.108 13.949 9.981 0.50 40.00 C ATOM 316 CD LYS A 24 5.703 14.310 11.417 0.50 40.00 C ATOM 317 CE LYS A 24 6.389 15.609 11.852 0.50 40.00 C ATOM 318 NZ LYS A 24 7.704 15.189 12.413 0.50 40.00 N ATOM 0 H LYS A 24 6.448 11.407 9.195 0.50 40.00 H new ATOM 0 HA LYS A 24 4.417 12.402 7.384 0.50 40.00 H new ATOM 0 HB2 LYS A 24 4.136 14.075 9.115 0.50 40.00 H new ATOM 0 HB3 LYS A 24 4.474 12.543 9.896 0.50 40.00 H new ATOM 0 HG2 LYS A 24 6.947 13.254 9.990 0.50 40.00 H new ATOM 0 HG3 LYS A 24 6.438 14.840 9.448 0.50 40.00 H new ATOM 0 HD2 LYS A 24 4.621 14.424 11.479 0.50 40.00 H new ATOM 0 HD3 LYS A 24 5.978 13.501 12.094 0.50 40.00 H new ATOM 0 HE2 LYS A 24 6.519 16.287 11.008 0.50 40.00 H new ATOM 0 HE3 LYS A 24 5.794 16.138 12.597 0.50 40.00 H new ATOM 0 HZ1 LYS A 24 8.215 16.025 12.763 0.50 40.00 H new ATOM 0 HZ2 LYS A 24 7.550 14.524 13.198 0.50 40.00 H new ATOM 0 HZ3 LYS A 24 8.266 14.725 11.671 0.50 40.00 H new ATOM 332 N TYR A 25 7.361 13.717 7.065 0.50 6.36 N ATOM 333 CA TYR A 25 8.198 14.596 6.203 0.50 6.36 C ATOM 334 C TYR A 25 9.494 13.845 5.840 0.50 6.36 C ATOM 335 O TYR A 25 9.961 13.900 4.718 0.50 6.36 O ATOM 336 CB TYR A 25 8.484 15.848 7.035 0.50 6.36 C ATOM 337 CG TYR A 25 7.262 16.735 7.024 0.50 6.36 C ATOM 338 CD1 TYR A 25 6.755 17.233 5.793 0.50 6.36 C ATOM 339 CD2 TYR A 25 6.613 17.060 8.242 0.50 6.36 C ATOM 340 CE1 TYR A 25 5.600 18.058 5.783 0.50 6.36 C ATOM 341 CE2 TYR A 25 5.454 17.883 8.233 0.50 6.36 C ATOM 342 CZ TYR A 25 4.947 18.382 7.002 0.50 6.36 C ATOM 343 OH TYR A 25 3.821 19.179 6.992 0.50 6.36 O ATOM 0 H TYR A 25 7.894 13.111 7.688 0.50 6.36 H new ATOM 0 HA TYR A 25 7.708 14.869 5.269 0.50 6.36 H new ATOM 0 HB2 TYR A 25 8.739 15.570 8.058 0.50 6.36 H new ATOM 0 HB3 TYR A 25 9.342 16.383 6.627 0.50 6.36 H new ATOM 0 HD1 TYR A 25 7.249 16.984 4.865 0.50 6.36 H new ATOM 0 HD2 TYR A 25 6.999 16.682 9.177 0.50 6.36 H new ATOM 0 HE1 TYR A 25 5.217 18.440 4.848 0.50 6.36 H new ATOM 0 HE2 TYR A 25 4.959 18.129 9.161 0.50 6.36 H new ATOM 0 HH TYR A 25 3.499 19.302 7.909 0.50 6.36 H new ATOM 353 N CYS A 26 10.064 13.119 6.782 0.50 1.55 N ATOM 354 CA CYS A 26 11.318 12.330 6.507 0.50 1.55 C ATOM 355 C CYS A 26 12.379 13.191 5.830 0.50 1.55 C ATOM 356 O CYS A 26 12.790 12.905 4.717 0.50 1.55 O ATOM 357 CB CYS A 26 10.869 11.191 5.583 0.50 1.55 C ATOM 358 SG CYS A 26 12.148 9.908 5.506 0.50 1.55 S ATOM 0 H CYS A 26 9.712 13.039 7.736 0.50 1.55 H new ATOM 0 HA CYS A 26 11.775 11.962 7.426 0.50 1.55 H new ATOM 0 HB2 CYS A 26 9.935 10.763 5.948 0.50 1.55 H new ATOM 0 HB3 CYS A 26 10.672 11.579 4.584 0.50 1.55 H new ATOM 363 N VAL A 27 12.833 14.249 6.475 1.00 0.62 N ATOM 364 CA VAL A 27 13.866 15.095 5.809 1.00 0.62 C ATOM 365 C VAL A 27 15.169 15.060 6.603 1.00 0.62 C ATOM 366 O VAL A 27 15.211 15.429 7.757 1.00 0.62 O ATOM 367 CB VAL A 27 13.278 16.508 5.762 1.00 0.62 C ATOM 368 CG1 VAL A 27 14.050 17.317 4.728 1.00 0.62 C ATOM 369 CG2 VAL A 27 11.799 16.467 5.344 1.00 0.62 C ATOM 0 H VAL A 27 12.540 14.550 7.404 1.00 0.62 H new ATOM 0 HA VAL A 27 14.104 14.739 4.807 1.00 0.62 H new ATOM 0 HB VAL A 27 13.354 16.958 6.752 1.00 0.62 H new ATOM 0 HG11 VAL A 27 13.645 18.328 4.680 1.00 0.62 H new ATOM 0 HG12 VAL A 27 15.102 17.361 5.011 1.00 0.62 H new ATOM 0 HG13 VAL A 27 13.957 16.842 3.751 1.00 0.62 H new ATOM 0 HG21 VAL A 27 11.400 17.481 5.317 1.00 0.62 H new ATOM 0 HG22 VAL A 27 11.713 16.017 4.355 1.00 0.62 H new ATOM 0 HG23 VAL A 27 11.234 15.874 6.063 1.00 0.62 H new ATOM 379 N CYS A 28 16.231 14.593 5.995 1.00 0.34 N ATOM 380 CA CYS A 28 17.529 14.509 6.726 1.00 0.34 C ATOM 381 C CYS A 28 18.587 15.399 6.096 1.00 0.34 C ATOM 382 O CYS A 28 18.541 15.711 4.921 1.00 0.34 O ATOM 383 CB CYS A 28 17.963 13.054 6.595 1.00 0.34 C ATOM 384 SG CYS A 28 16.612 11.958 7.060 1.00 0.34 S ATOM 0 H CYS A 28 16.254 14.268 5.028 1.00 0.34 H new ATOM 0 HA CYS A 28 17.413 14.835 7.760 1.00 0.34 H new ATOM 0 HB2 CYS A 28 18.270 12.849 5.569 1.00 0.34 H new ATOM 0 HB3 CYS A 28 18.828 12.866 7.231 1.00 0.34 H new ATOM 389 N TYR A 29 19.549 15.797 6.884 1.00 0.43 N ATOM 390 CA TYR A 29 20.636 16.655 6.368 1.00 0.43 C ATOM 391 C TYR A 29 21.893 16.434 7.187 1.00 0.43 C ATOM 392 O TYR A 29 21.859 15.772 8.202 1.00 0.43 O ATOM 393 CB TYR A 29 20.206 18.066 6.617 1.00 0.43 C ATOM 394 CG TYR A 29 18.970 18.415 5.882 1.00 0.43 C ATOM 395 CD1 TYR A 29 17.724 18.172 6.483 1.00 0.43 C ATOM 396 CD2 TYR A 29 19.058 19.080 4.638 1.00 0.43 C ATOM 397 CE1 TYR A 29 16.542 18.591 5.840 1.00 0.43 C ATOM 398 CE2 TYR A 29 17.880 19.492 3.975 1.00 0.43 C ATOM 399 CZ TYR A 29 16.613 19.252 4.575 1.00 0.43 C ATOM 400 OH TYR A 29 15.462 19.669 3.940 1.00 0.43 O ATOM 0 H TYR A 29 19.622 15.558 7.873 1.00 0.43 H new ATOM 0 HA TYR A 29 20.829 16.439 5.317 1.00 0.43 H new ATOM 0 HB2 TYR A 29 20.044 18.211 7.685 1.00 0.43 H new ATOM 0 HB3 TYR A 29 21.006 18.745 6.321 1.00 0.43 H new ATOM 0 HD1 TYR A 29 17.672 17.665 7.435 1.00 0.43 H new ATOM 0 HD2 TYR A 29 20.024 19.273 4.195 1.00 0.43 H new ATOM 0 HE1 TYR A 29 15.583 18.413 6.303 1.00 0.43 H new ATOM 0 HE2 TYR A 29 17.942 19.987 3.017 1.00 0.43 H new ATOM 0 HH TYR A 29 15.695 20.100 3.091 1.00 0.43 H new ATOM 410 N ASP A 30 22.988 17.024 6.784 1.00 0.82 N ATOM 411 CA ASP A 30 24.237 16.876 7.570 1.00 0.82 C ATOM 412 C ASP A 30 24.234 17.820 8.780 1.00 0.82 C ATOM 413 O ASP A 30 24.692 17.462 9.849 1.00 0.82 O ATOM 414 CB ASP A 30 25.365 17.193 6.589 1.00 0.82 C ATOM 415 CG ASP A 30 25.388 18.688 6.243 1.00 0.82 C ATOM 416 OD1 ASP A 30 24.617 19.090 5.387 1.00 0.82 O ATOM 417 OD2 ASP A 30 26.179 19.401 6.839 1.00 0.82 O ATOM 0 H ASP A 30 23.066 17.600 5.946 1.00 0.82 H new ATOM 0 HA ASP A 30 24.352 15.875 7.986 1.00 0.82 H new ATOM 0 HB2 ASP A 30 26.322 16.902 7.023 1.00 0.82 H new ATOM 0 HB3 ASP A 30 25.236 16.607 5.679 1.00 0.82 H new ATOM 422 N SER A 31 23.698 19.006 8.627 1.00 1.01 N ATOM 423 CA SER A 31 23.642 19.952 9.783 1.00 1.01 C ATOM 424 C SER A 31 22.456 19.560 10.661 1.00 1.01 C ATOM 425 O SER A 31 21.332 19.796 10.273 1.00 1.01 O ATOM 426 CB SER A 31 23.444 21.336 9.177 1.00 1.01 C ATOM 427 OG SER A 31 24.252 21.464 8.013 1.00 1.01 O ATOM 0 H SER A 31 23.299 19.358 7.757 1.00 1.01 H new ATOM 0 HA SER A 31 24.541 19.933 10.399 1.00 1.01 H new ATOM 0 HB2 SER A 31 22.395 21.487 8.923 1.00 1.01 H new ATOM 0 HB3 SER A 31 23.710 22.104 9.903 1.00 1.01 H new ATOM 0 HG SER A 31 24.161 22.369 7.649 1.00 1.01 H new ATOM 433 N LYS A 32 22.664 18.959 11.832 1.00 1.00 N ATOM 434 CA LYS A 32 21.484 18.577 12.703 1.00 1.00 C ATOM 435 C LYS A 32 20.543 19.806 12.796 1.00 1.00 C ATOM 436 O LYS A 32 19.340 19.690 12.877 1.00 1.00 O ATOM 437 CB LYS A 32 22.095 18.158 14.078 1.00 1.00 C ATOM 438 CG LYS A 32 22.508 19.375 14.929 1.00 1.00 C ATOM 439 CD LYS A 32 22.786 18.914 16.373 1.00 1.00 C ATOM 440 CE LYS A 32 24.235 18.400 16.473 1.00 1.00 C ATOM 441 NZ LYS A 32 24.368 17.908 17.872 1.00 1.00 N ATOM 0 H LYS A 32 23.581 18.723 12.212 1.00 1.00 H new ATOM 0 HA LYS A 32 20.886 17.752 12.315 1.00 1.00 H new ATOM 0 HB2 LYS A 32 21.368 17.561 14.629 1.00 1.00 H new ATOM 0 HB3 LYS A 32 22.965 17.524 13.908 1.00 1.00 H new ATOM 0 HG2 LYS A 32 23.397 19.844 14.507 1.00 1.00 H new ATOM 0 HG3 LYS A 32 21.717 20.125 14.920 1.00 1.00 H new ATOM 0 HD2 LYS A 32 22.632 19.741 17.067 1.00 1.00 H new ATOM 0 HD3 LYS A 32 22.088 18.126 16.656 1.00 1.00 H new ATOM 0 HE2 LYS A 32 24.422 17.603 15.754 1.00 1.00 H new ATOM 0 HE3 LYS A 32 24.952 19.194 16.263 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 25.329 17.541 18.021 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 24.190 18.690 18.534 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 23.677 17.149 18.040 1.00 1.00 H new ATOM 455 N ALA A 33 21.115 20.987 12.721 1.00 1.88 N ATOM 456 CA ALA A 33 20.311 22.227 12.712 1.00 1.88 C ATOM 457 C ALA A 33 19.417 22.263 11.468 1.00 1.88 C ATOM 458 O ALA A 33 18.257 22.565 11.572 1.00 1.88 O ATOM 459 CB ALA A 33 21.324 23.372 12.654 1.00 1.88 C ATOM 0 H ALA A 33 22.123 21.133 12.665 1.00 1.88 H new ATOM 0 HA ALA A 33 19.665 22.297 13.587 1.00 1.88 H new ATOM 0 HB1 ALA A 33 20.795 24.325 12.645 1.00 1.88 H new ATOM 0 HB2 ALA A 33 21.975 23.327 13.527 1.00 1.88 H new ATOM 0 HB3 ALA A 33 21.924 23.281 11.749 1.00 1.88 H new ATOM 465 N ILE A 34 19.943 21.967 10.280 1.00 1.01 N ATOM 466 CA ILE A 34 19.087 22.002 9.066 1.00 1.01 C ATOM 467 C ILE A 34 17.940 21.017 9.220 1.00 1.01 C ATOM 468 O ILE A 34 16.858 21.209 8.708 1.00 1.01 O ATOM 469 CB ILE A 34 20.026 21.647 7.932 1.00 1.01 C ATOM 470 CG1 ILE A 34 20.891 22.869 7.627 1.00 1.01 C ATOM 471 CG2 ILE A 34 19.233 21.285 6.664 1.00 1.01 C ATOM 472 CD1 ILE A 34 21.765 22.565 6.417 1.00 1.01 C ATOM 0 H ILE A 34 20.917 21.709 10.120 1.00 1.01 H new ATOM 0 HA ILE A 34 18.616 22.968 8.885 1.00 1.01 H new ATOM 0 HB ILE A 34 20.635 20.792 8.226 1.00 1.01 H new ATOM 0 HG12 ILE A 34 20.261 23.737 7.429 1.00 1.01 H new ATOM 0 HG13 ILE A 34 21.512 23.116 8.488 1.00 1.01 H new ATOM 0 HG21 ILE A 34 19.926 21.033 5.861 1.00 1.01 H new ATOM 0 HG22 ILE A 34 18.589 20.430 6.869 1.00 1.01 H new ATOM 0 HG23 ILE A 34 18.622 22.135 6.362 1.00 1.01 H new ATOM 0 HD11 ILE A 34 22.387 23.431 6.190 1.00 1.01 H new ATOM 0 HD12 ILE A 34 22.402 21.708 6.635 1.00 1.01 H new ATOM 0 HD13 ILE A 34 21.132 22.338 5.559 1.00 1.01 H new ATOM 484 N CYS A 35 18.184 19.969 9.935 1.00 0.83 N ATOM 485 CA CYS A 35 17.109 18.953 10.157 1.00 0.83 C ATOM 486 C CYS A 35 15.972 19.640 10.909 1.00 0.83 C ATOM 487 O CYS A 35 14.902 19.768 10.395 1.00 0.83 O ATOM 488 CB CYS A 35 17.726 17.811 10.973 1.00 0.83 C ATOM 489 SG CYS A 35 16.412 16.870 11.782 1.00 0.83 S ATOM 0 H CYS A 35 19.078 19.762 10.380 1.00 0.83 H new ATOM 0 HA CYS A 35 16.710 18.545 9.228 1.00 0.83 H new ATOM 0 HB2 CYS A 35 18.308 17.158 10.322 1.00 0.83 H new ATOM 0 HB3 CYS A 35 18.413 18.212 11.719 1.00 0.83 H new ATOM 494 N ASN A 36 16.201 20.139 12.094 1.00 2.51 N ATOM 495 CA ASN A 36 15.092 20.872 12.805 1.00 2.51 C ATOM 496 C ASN A 36 14.558 22.033 11.920 1.00 2.51 C ATOM 497 O ASN A 36 13.369 22.193 11.728 1.00 2.51 O ATOM 498 CB ASN A 36 15.736 21.426 14.095 1.00 2.51 C ATOM 499 CG ASN A 36 14.703 22.227 14.887 1.00 2.51 C ATOM 500 OD1 ASN A 36 14.569 23.420 14.706 1.00 2.51 O ATOM 501 ND2 ASN A 36 13.965 21.614 15.766 1.00 2.51 N ATOM 0 H ASN A 36 17.085 20.078 12.599 1.00 2.51 H new ATOM 0 HA ASN A 36 14.244 20.223 13.021 1.00 2.51 H new ATOM 0 HB2 ASN A 36 16.118 20.606 14.703 1.00 2.51 H new ATOM 0 HB3 ASN A 36 16.587 22.060 13.844 1.00 2.51 H new ATOM 0 HD21 ASN A 36 13.273 22.136 16.304 1.00 2.51 H new ATOM 0 HD22 ASN A 36 14.078 20.612 15.917 1.00 2.51 H new ATOM 508 N LYS A 37 15.447 22.855 11.437 1.00 2.56 N ATOM 509 CA LYS A 37 15.079 24.052 10.607 1.00 2.56 C ATOM 510 C LYS A 37 14.430 23.752 9.228 1.00 2.56 C ATOM 511 O LYS A 37 13.234 23.872 9.054 1.00 2.56 O ATOM 512 CB LYS A 37 16.410 24.804 10.436 1.00 2.56 C ATOM 513 CG LYS A 37 16.164 26.249 9.965 1.00 2.56 C ATOM 514 CD LYS A 37 15.826 26.267 8.471 1.00 2.56 C ATOM 515 CE LYS A 37 16.300 27.580 7.836 1.00 2.56 C ATOM 516 NZ LYS A 37 15.099 28.459 7.831 1.00 2.56 N ATOM 0 H LYS A 37 16.450 22.748 11.585 1.00 2.56 H new ATOM 0 HA LYS A 37 14.296 24.618 11.112 1.00 2.56 H new ATOM 0 HB2 LYS A 37 16.953 24.812 11.381 1.00 2.56 H new ATOM 0 HB3 LYS A 37 17.037 24.283 9.713 1.00 2.56 H new ATOM 0 HG2 LYS A 37 15.347 26.691 10.536 1.00 2.56 H new ATOM 0 HG3 LYS A 37 17.050 26.856 10.153 1.00 2.56 H new ATOM 0 HD2 LYS A 37 16.301 25.422 7.973 1.00 2.56 H new ATOM 0 HD3 LYS A 37 14.751 26.155 8.333 1.00 2.56 H new ATOM 0 HE2 LYS A 37 17.113 28.025 8.410 1.00 2.56 H new ATOM 0 HE3 LYS A 37 16.675 27.417 6.825 1.00 2.56 H new ATOM 0 HZ1 LYS A 37 15.343 29.378 7.411 1.00 2.56 H new ATOM 0 HZ2 LYS A 37 14.344 28.012 7.272 1.00 2.56 H new ATOM 0 HZ3 LYS A 37 14.769 28.601 8.807 1.00 2.56 H new ATOM 530 N ASN A 38 15.239 23.446 8.235 1.00 1.40 N ATOM 531 CA ASN A 38 14.759 23.231 6.843 1.00 1.40 C ATOM 532 C ASN A 38 13.792 22.079 6.675 1.00 1.40 C ATOM 533 O ASN A 38 13.072 21.999 5.695 1.00 1.40 O ATOM 534 CB ASN A 38 16.042 22.933 6.105 1.00 1.40 C ATOM 535 CG ASN A 38 16.797 24.224 5.814 1.00 1.40 C ATOM 536 OD1 ASN A 38 16.448 24.967 4.918 1.00 1.40 O ATOM 537 ND2 ASN A 38 17.809 24.536 6.568 1.00 1.40 N ATOM 0 H ASN A 38 16.247 23.335 8.346 1.00 1.40 H new ATOM 0 HA ASN A 38 14.194 24.093 6.488 1.00 1.40 H new ATOM 0 HB2 ASN A 38 16.665 22.266 6.700 1.00 1.40 H new ATOM 0 HB3 ASN A 38 15.821 22.415 5.172 1.00 1.40 H new ATOM 0 HD21 ASN A 38 18.314 25.408 6.409 1.00 1.40 H new ATOM 0 HD22 ASN A 38 18.098 23.909 7.319 1.00 1.40 H new ATOM 544 N CYS A 39 13.822 21.168 7.569 1.00 1.16 N ATOM 545 CA CYS A 39 12.945 19.950 7.422 1.00 1.16 C ATOM 546 C CYS A 39 11.475 20.218 7.118 1.00 1.16 C ATOM 547 O CYS A 39 10.893 19.578 6.259 1.00 1.16 O ATOM 548 CB CYS A 39 12.999 19.256 8.741 1.00 1.16 C ATOM 549 SG CYS A 39 14.544 18.370 8.816 1.00 1.16 S ATOM 0 H CYS A 39 14.406 21.188 8.405 1.00 1.16 H new ATOM 0 HA CYS A 39 13.322 19.385 6.569 1.00 1.16 H new ATOM 0 HB2 CYS A 39 12.930 19.976 9.556 1.00 1.16 H new ATOM 0 HB3 CYS A 39 12.158 18.571 8.849 1.00 1.16 H new ATOM 554 N THR A 40 10.856 21.090 7.849 1.00 2.49 N ATOM 555 CA THR A 40 9.385 21.319 7.637 1.00 2.49 C ATOM 556 C THR A 40 9.152 22.090 6.333 1.00 2.49 C ATOM 557 O THR A 40 10.010 22.879 5.973 1.00 2.49 O ATOM 558 CB THR A 40 8.919 22.145 8.845 1.00 2.49 C ATOM 559 OG1 THR A 40 9.869 23.170 9.102 1.00 2.49 O ATOM 560 CG2 THR A 40 8.783 21.244 10.089 1.00 2.49 C ATOM 561 OXT THR A 40 8.121 21.874 5.718 1.00 2.49 O ATOM 0 H THR A 40 11.288 21.655 8.580 1.00 2.49 H new ATOM 0 HA THR A 40 8.834 20.382 7.556 1.00 2.49 H new ATOM 0 HB THR A 40 7.947 22.586 8.624 1.00 2.49 H new ATOM 0 HG1 THR A 40 9.450 23.878 9.634 1.00 2.49 H new ATOM 0 HG21 THR A 40 8.452 21.843 10.938 1.00 2.49 H new ATOM 0 HG22 THR A 40 8.053 20.459 9.892 1.00 2.49 H new ATOM 0 HG23 THR A 40 9.748 20.792 10.318 1.00 2.49 H new TER 569 THR A 40