USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 259 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 10 SER OG : rot 180:sc= 0.0534 USER MOD Set 1.2: A 27 LYS NZ :NH3+ -123:sc=-0.00448 (180deg=-2.14!) USER MOD Single : A 1 VAL N :NH3+ -106:sc= -0.857 (180deg=-1.46) USER MOD Single : A 5 GLN : amide:sc= -1.68 K(o=-1.7,f=-2.7!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot -24:sc= 0.894 USER MOD Single : A 15 SER OG : rot 180:sc= -0.238 USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= -0.0225 (180deg=-0.236) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -100:sc= 0.0593 USER MOD Single : A 29 THR OG1 : rot -150:sc= -0.816 USER MOD Single : A 30 ASN : amide:sc= -0.633 K(o=-0.63,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.849 -7.145 5.734 1.00 1.00 N ATOM 2 CA VAL A 1 2.950 -6.683 7.148 1.00 1.00 C ATOM 3 C VAL A 1 3.308 -5.197 7.230 1.00 1.00 C ATOM 4 O VAL A 1 3.550 -4.545 6.234 1.00 1.00 O ATOM 5 CB VAL A 1 4.032 -7.495 7.907 1.00 1.00 C ATOM 6 CG1 VAL A 1 3.604 -8.979 7.989 1.00 1.00 C ATOM 7 CG2 VAL A 1 5.407 -7.400 7.209 1.00 1.00 C ATOM 0 H1 VAL A 1 1.849 -7.280 5.484 1.00 1.00 H new ATOM 0 H2 VAL A 1 3.270 -6.432 5.105 1.00 1.00 H new ATOM 0 H3 VAL A 1 3.358 -8.046 5.626 1.00 1.00 H new ATOM 0 HA VAL A 1 1.973 -6.838 7.607 1.00 1.00 H new ATOM 0 HB VAL A 1 4.127 -7.073 8.908 1.00 1.00 H new ATOM 0 HG11 VAL A 1 4.365 -9.548 8.523 1.00 1.00 H new ATOM 0 HG12 VAL A 1 2.655 -9.055 8.520 1.00 1.00 H new ATOM 0 HG13 VAL A 1 3.490 -9.381 6.982 1.00 1.00 H new ATOM 0 HG21 VAL A 1 6.140 -7.981 7.769 1.00 1.00 H new ATOM 0 HG22 VAL A 1 5.329 -7.794 6.196 1.00 1.00 H new ATOM 0 HG23 VAL A 1 5.724 -6.358 7.169 1.00 1.00 H new ATOM 19 N VAL A 2 3.313 -4.721 8.448 1.00 1.00 N ATOM 20 CA VAL A 2 3.645 -3.290 8.732 1.00 1.00 C ATOM 21 C VAL A 2 5.148 -3.109 8.482 1.00 1.00 C ATOM 22 O VAL A 2 5.943 -3.723 9.167 1.00 1.00 O ATOM 23 CB VAL A 2 3.285 -2.978 10.210 1.00 1.00 C ATOM 24 CG1 VAL A 2 3.552 -1.493 10.560 1.00 1.00 C ATOM 25 CG2 VAL A 2 1.800 -3.320 10.482 1.00 1.00 C ATOM 0 H VAL A 2 3.096 -5.275 9.276 1.00 1.00 H new ATOM 0 HA VAL A 2 3.083 -2.609 8.092 1.00 1.00 H new ATOM 0 HB VAL A 2 3.923 -3.595 10.842 1.00 1.00 H new ATOM 0 HG11 VAL A 2 3.289 -1.312 11.602 1.00 1.00 H new ATOM 0 HG12 VAL A 2 4.608 -1.267 10.408 1.00 1.00 H new ATOM 0 HG13 VAL A 2 2.948 -0.853 9.916 1.00 1.00 H new ATOM 0 HG21 VAL A 2 1.560 -3.097 11.522 1.00 1.00 H new ATOM 0 HG22 VAL A 2 1.164 -2.725 9.827 1.00 1.00 H new ATOM 0 HG23 VAL A 2 1.629 -4.379 10.289 1.00 1.00 H new ATOM 35 N ILE A 3 5.493 -2.281 7.522 1.00 1.00 N ATOM 36 CA ILE A 3 6.950 -2.064 7.227 1.00 1.00 C ATOM 37 C ILE A 3 7.377 -0.609 7.052 1.00 1.00 C ATOM 38 O ILE A 3 6.584 0.284 6.853 1.00 1.00 O ATOM 39 CB ILE A 3 7.359 -2.852 5.927 1.00 1.00 C ATOM 40 CG1 ILE A 3 6.700 -2.287 4.634 1.00 1.00 C ATOM 41 CG2 ILE A 3 6.885 -4.285 6.114 1.00 1.00 C ATOM 42 CD1 ILE A 3 7.252 -3.001 3.376 1.00 1.00 C ATOM 0 H ILE A 3 4.843 -1.754 6.939 1.00 1.00 H new ATOM 0 HA ILE A 3 7.464 -2.432 8.115 1.00 1.00 H new ATOM 0 HB ILE A 3 8.438 -2.766 5.798 1.00 1.00 H new ATOM 0 HG12 ILE A 3 5.619 -2.416 4.686 1.00 1.00 H new ATOM 0 HG13 ILE A 3 6.890 -1.216 4.562 1.00 1.00 H new ATOM 0 HG21 ILE A 3 7.147 -4.873 5.234 1.00 1.00 H new ATOM 0 HG22 ILE A 3 7.364 -4.715 6.994 1.00 1.00 H new ATOM 0 HG23 ILE A 3 5.803 -4.296 6.248 1.00 1.00 H new ATOM 0 HD11 ILE A 3 6.777 -2.589 2.486 1.00 1.00 H new ATOM 0 HD12 ILE A 3 8.330 -2.849 3.315 1.00 1.00 H new ATOM 0 HD13 ILE A 3 7.039 -4.068 3.440 1.00 1.00 H new ATOM 54 N GLY A 4 8.676 -0.476 7.143 1.00 1.00 N ATOM 55 CA GLY A 4 9.357 0.829 7.011 1.00 1.00 C ATOM 56 C GLY A 4 9.003 1.493 5.683 1.00 1.00 C ATOM 57 O GLY A 4 8.727 2.675 5.679 1.00 1.00 O ATOM 0 H GLY A 4 9.310 -1.257 7.311 1.00 1.00 H new ATOM 0 HA2 GLY A 4 9.069 1.480 7.836 1.00 1.00 H new ATOM 0 HA3 GLY A 4 10.436 0.690 7.077 1.00 1.00 H new ATOM 61 N GLN A 5 9.033 0.698 4.630 1.00 1.00 N ATOM 62 CA GLN A 5 8.714 1.153 3.228 1.00 1.00 C ATOM 63 C GLN A 5 7.730 2.330 3.249 1.00 1.00 C ATOM 64 O GLN A 5 6.531 2.141 3.238 1.00 1.00 O ATOM 65 CB GLN A 5 8.130 -0.037 2.438 1.00 1.00 C ATOM 66 CG GLN A 5 8.223 0.124 0.899 1.00 1.00 C ATOM 67 CD GLN A 5 7.564 1.417 0.405 1.00 1.00 C ATOM 68 OE1 GLN A 5 8.150 2.482 0.439 1.00 1.00 O ATOM 69 NE2 GLN A 5 6.352 1.373 -0.052 1.00 1.00 N ATOM 0 H GLN A 5 9.276 -0.291 4.690 1.00 1.00 H new ATOM 0 HA GLN A 5 9.626 1.498 2.741 1.00 1.00 H new ATOM 0 HB2 GLN A 5 8.654 -0.947 2.731 1.00 1.00 H new ATOM 0 HB3 GLN A 5 7.085 -0.168 2.717 1.00 1.00 H new ATOM 0 HG2 GLN A 5 9.271 0.116 0.598 1.00 1.00 H new ATOM 0 HG3 GLN A 5 7.747 -0.730 0.418 1.00 1.00 H new ATOM 0 HE21 GLN A 5 5.851 0.485 -0.085 1.00 1.00 H new ATOM 0 HE22 GLN A 5 5.899 2.226 -0.379 1.00 1.00 H new ATOM 78 N ARG A 6 8.296 3.513 3.286 1.00 1.00 N ATOM 79 CA ARG A 6 7.487 4.766 3.320 1.00 1.00 C ATOM 80 C ARG A 6 6.243 4.755 2.420 1.00 1.00 C ATOM 81 O ARG A 6 6.234 4.151 1.364 1.00 1.00 O ATOM 82 CB ARG A 6 8.399 5.950 2.927 1.00 1.00 C ATOM 83 CG ARG A 6 8.945 5.767 1.493 1.00 1.00 C ATOM 84 CD ARG A 6 9.897 6.926 1.146 1.00 1.00 C ATOM 85 NE ARG A 6 11.035 6.917 2.115 1.00 1.00 N ATOM 86 CZ ARG A 6 12.258 6.744 1.691 1.00 1.00 C ATOM 87 NH1 ARG A 6 12.719 5.528 1.585 1.00 1.00 N ATOM 88 NH2 ARG A 6 12.976 7.791 1.390 1.00 1.00 N ATOM 0 H ARG A 6 9.305 3.662 3.294 1.00 1.00 H new ATOM 0 HA ARG A 6 7.107 4.861 4.337 1.00 1.00 H new ATOM 0 HB2 ARG A 6 7.840 6.883 2.992 1.00 1.00 H new ATOM 0 HB3 ARG A 6 9.228 6.026 3.630 1.00 1.00 H new ATOM 0 HG2 ARG A 6 9.471 4.816 1.413 1.00 1.00 H new ATOM 0 HG3 ARG A 6 8.120 5.736 0.781 1.00 1.00 H new ATOM 0 HD2 ARG A 6 10.268 6.818 0.127 1.00 1.00 H new ATOM 0 HD3 ARG A 6 9.367 7.877 1.194 1.00 1.00 H new ATOM 0 HE ARG A 6 10.856 7.046 3.111 1.00 1.00 H new ATOM 0 HH11 ARG A 6 12.127 4.735 1.831 1.00 1.00 H new ATOM 0 HH12 ARG A 6 13.671 5.371 1.256 1.00 1.00 H new ATOM 0 HH21 ARG A 6 12.580 8.726 1.487 1.00 1.00 H new ATOM 0 HH22 ARG A 6 13.933 7.675 1.057 1.00 1.00 H new ATOM 102 N CYS A 7 5.233 5.435 2.889 1.00 1.00 N ATOM 103 CA CYS A 7 3.957 5.517 2.131 1.00 1.00 C ATOM 104 C CYS A 7 3.567 6.979 1.918 1.00 1.00 C ATOM 105 O CYS A 7 4.019 7.851 2.635 1.00 1.00 O ATOM 106 CB CYS A 7 2.882 4.769 2.924 1.00 1.00 C ATOM 107 SG CYS A 7 2.511 5.336 4.592 1.00 1.00 S ATOM 0 H CYS A 7 5.240 5.942 3.774 1.00 1.00 H new ATOM 0 HA CYS A 7 4.067 5.060 1.148 1.00 1.00 H new ATOM 0 HB2 CYS A 7 1.958 4.803 2.347 1.00 1.00 H new ATOM 0 HB3 CYS A 7 3.181 3.723 2.986 1.00 1.00 H new ATOM 112 N TYR A 8 2.731 7.192 0.935 1.00 1.00 N ATOM 113 CA TYR A 8 2.242 8.560 0.590 1.00 1.00 C ATOM 114 C TYR A 8 0.726 8.525 0.760 1.00 1.00 C ATOM 115 O TYR A 8 0.146 9.314 1.481 1.00 1.00 O ATOM 116 CB TYR A 8 2.614 8.847 -0.850 1.00 1.00 C ATOM 117 CG TYR A 8 2.647 10.362 -1.101 1.00 1.00 C ATOM 118 CD1 TYR A 8 3.649 11.139 -0.549 1.00 1.00 C ATOM 119 CD2 TYR A 8 1.683 10.977 -1.879 1.00 1.00 C ATOM 120 CE1 TYR A 8 3.684 12.501 -0.768 1.00 1.00 C ATOM 121 CE2 TYR A 8 1.718 12.338 -2.096 1.00 1.00 C ATOM 122 CZ TYR A 8 2.720 13.110 -1.543 1.00 1.00 C ATOM 123 OH TYR A 8 2.759 14.471 -1.761 1.00 1.00 O ATOM 0 H TYR A 8 2.357 6.453 0.340 1.00 1.00 H new ATOM 0 HA TYR A 8 2.677 9.336 1.220 1.00 1.00 H new ATOM 0 HB2 TYR A 8 3.588 8.413 -1.074 1.00 1.00 H new ATOM 0 HB3 TYR A 8 1.894 8.376 -1.519 1.00 1.00 H new ATOM 0 HD1 TYR A 8 4.411 10.675 0.059 1.00 1.00 H new ATOM 0 HD2 TYR A 8 0.895 10.385 -2.321 1.00 1.00 H new ATOM 0 HE1 TYR A 8 4.472 13.094 -0.329 1.00 1.00 H new ATOM 0 HE2 TYR A 8 0.956 12.804 -2.703 1.00 1.00 H new ATOM 0 HH TYR A 8 2.005 14.733 -2.330 1.00 1.00 H new ATOM 133 N ARG A 9 0.154 7.580 0.060 1.00 1.00 N ATOM 134 CA ARG A 9 -1.317 7.363 0.081 1.00 1.00 C ATOM 135 C ARG A 9 -1.556 6.030 0.800 1.00 1.00 C ATOM 136 O ARG A 9 -0.634 5.248 0.925 1.00 1.00 O ATOM 137 CB ARG A 9 -1.902 7.239 -1.351 1.00 1.00 C ATOM 138 CG ARG A 9 -1.192 8.144 -2.388 1.00 1.00 C ATOM 139 CD ARG A 9 -0.020 7.363 -3.023 1.00 1.00 C ATOM 140 NE ARG A 9 0.720 8.266 -3.946 1.00 1.00 N ATOM 141 CZ ARG A 9 0.862 7.941 -5.198 1.00 1.00 C ATOM 142 NH1 ARG A 9 1.892 7.216 -5.540 1.00 1.00 N ATOM 143 NH2 ARG A 9 -0.016 8.349 -6.066 1.00 1.00 N ATOM 0 H ARG A 9 0.664 6.933 -0.542 1.00 1.00 H new ATOM 0 HA ARG A 9 -1.797 8.208 0.574 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -1.829 6.201 -1.676 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -2.962 7.492 -1.325 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -1.896 8.457 -3.159 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -0.823 9.050 -1.907 1.00 1.00 H new ATOM 0 HD2 ARG A 9 0.648 6.989 -2.247 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -0.396 6.496 -3.566 1.00 1.00 H new ATOM 0 HE ARG A 9 1.116 9.139 -3.597 1.00 1.00 H new ATOM 0 HH11 ARG A 9 2.563 6.917 -4.832 1.00 1.00 H new ATOM 0 HH12 ARG A 9 2.026 6.948 -6.515 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -0.806 8.918 -5.763 1.00 1.00 H new ATOM 0 HH22 ARG A 9 0.086 8.100 -7.050 1.00 1.00 H new ATOM 157 N SER A 10 -2.775 5.835 1.242 1.00 1.00 N ATOM 158 CA SER A 10 -3.172 4.578 1.964 1.00 1.00 C ATOM 159 C SER A 10 -2.384 3.333 1.511 1.00 1.00 C ATOM 160 O SER A 10 -1.780 2.683 2.342 1.00 1.00 O ATOM 161 CB SER A 10 -4.687 4.319 1.764 1.00 1.00 C ATOM 162 OG SER A 10 -5.334 5.343 2.506 1.00 1.00 O ATOM 0 H SER A 10 -3.532 6.510 1.131 1.00 1.00 H new ATOM 0 HA SER A 10 -2.937 4.739 3.016 1.00 1.00 H new ATOM 0 HB2 SER A 10 -4.959 4.363 0.710 1.00 1.00 H new ATOM 0 HB3 SER A 10 -4.970 3.330 2.125 1.00 1.00 H new ATOM 0 HG SER A 10 -6.305 5.243 2.424 1.00 1.00 H new ATOM 168 N PRO A 11 -2.396 3.020 0.232 1.00 1.00 N ATOM 169 CA PRO A 11 -1.510 1.974 -0.307 1.00 1.00 C ATOM 170 C PRO A 11 -0.026 2.366 -0.331 1.00 1.00 C ATOM 171 O PRO A 11 0.639 2.217 0.663 1.00 1.00 O ATOM 172 CB PRO A 11 -2.110 1.700 -1.697 1.00 1.00 C ATOM 173 CG PRO A 11 -2.599 3.109 -2.117 1.00 1.00 C ATOM 174 CD PRO A 11 -3.257 3.612 -0.832 1.00 1.00 C ATOM 0 HA PRO A 11 -1.482 1.082 0.319 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -1.369 1.301 -2.390 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.927 0.980 -1.654 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -1.775 3.750 -2.432 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -3.304 3.066 -2.947 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -3.270 4.701 -0.783 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -4.291 3.277 -0.749 1.00 1.00 H new ATOM 182 N ASP A 12 0.415 2.861 -1.458 1.00 1.00 N ATOM 183 CA ASP A 12 1.835 3.296 -1.689 1.00 1.00 C ATOM 184 C ASP A 12 2.802 2.291 -1.016 1.00 1.00 C ATOM 185 O ASP A 12 3.869 2.631 -0.535 1.00 1.00 O ATOM 186 CB ASP A 12 1.972 4.710 -1.101 1.00 1.00 C ATOM 187 CG ASP A 12 3.136 5.466 -1.770 1.00 1.00 C ATOM 188 OD1 ASP A 12 2.946 5.824 -2.922 1.00 1.00 O ATOM 189 OD2 ASP A 12 4.144 5.648 -1.112 1.00 1.00 O ATOM 0 H ASP A 12 -0.183 2.989 -2.274 1.00 1.00 H new ATOM 0 HA ASP A 12 2.088 3.316 -2.749 1.00 1.00 H new ATOM 0 HB2 ASP A 12 1.043 5.261 -1.245 1.00 1.00 H new ATOM 0 HB3 ASP A 12 2.142 4.648 -0.026 1.00 1.00 H new ATOM 194 N CYS A 13 2.328 1.075 -1.035 1.00 1.00 N ATOM 195 CA CYS A 13 3.020 -0.113 -0.461 1.00 1.00 C ATOM 196 C CYS A 13 2.365 -1.449 -0.902 1.00 1.00 C ATOM 197 O CYS A 13 3.031 -2.464 -0.908 1.00 1.00 O ATOM 198 CB CYS A 13 2.987 -0.030 1.050 1.00 1.00 C ATOM 199 SG CYS A 13 3.845 -1.366 1.920 1.00 1.00 S ATOM 0 H CYS A 13 1.427 0.846 -1.455 1.00 1.00 H new ATOM 0 HA CYS A 13 4.045 -0.103 -0.832 1.00 1.00 H new ATOM 0 HB2 CYS A 13 3.426 0.920 1.354 1.00 1.00 H new ATOM 0 HB3 CYS A 13 1.946 -0.018 1.374 1.00 1.00 H new ATOM 204 N TYR A 14 1.096 -1.416 -1.243 1.00 1.00 N ATOM 205 CA TYR A 14 0.322 -2.622 -1.689 1.00 1.00 C ATOM 206 C TYR A 14 1.151 -3.543 -2.563 1.00 1.00 C ATOM 207 O TYR A 14 1.327 -4.692 -2.226 1.00 1.00 O ATOM 208 CB TYR A 14 -0.905 -2.125 -2.464 1.00 1.00 C ATOM 209 CG TYR A 14 -2.085 -1.753 -1.540 1.00 1.00 C ATOM 210 CD1 TYR A 14 -1.885 -1.230 -0.281 1.00 1.00 C ATOM 211 CD2 TYR A 14 -3.378 -1.938 -1.984 1.00 1.00 C ATOM 212 CE1 TYR A 14 -2.959 -0.902 0.509 1.00 1.00 C ATOM 213 CE2 TYR A 14 -4.453 -1.608 -1.181 1.00 1.00 C ATOM 214 CZ TYR A 14 -4.249 -1.086 0.072 1.00 1.00 C ATOM 215 OH TYR A 14 -5.316 -0.754 0.877 1.00 1.00 O ATOM 0 H TYR A 14 0.541 -0.560 -1.229 1.00 1.00 H new ATOM 0 HA TYR A 14 0.029 -3.202 -0.814 1.00 1.00 H new ATOM 0 HB2 TYR A 14 -0.626 -1.255 -3.058 1.00 1.00 H new ATOM 0 HB3 TYR A 14 -1.226 -2.898 -3.162 1.00 1.00 H new ATOM 0 HD1 TYR A 14 -0.881 -1.078 0.085 1.00 1.00 H new ATOM 0 HD2 TYR A 14 -3.552 -2.345 -2.969 1.00 1.00 H new ATOM 0 HE1 TYR A 14 -2.787 -0.491 1.493 1.00 1.00 H new ATOM 0 HE2 TYR A 14 -5.459 -1.762 -1.541 1.00 1.00 H new ATOM 0 HH TYR A 14 -5.034 -0.765 1.815 1.00 1.00 H new ATOM 225 N SER A 15 1.616 -3.001 -3.653 1.00 1.00 N ATOM 226 CA SER A 15 2.461 -3.780 -4.616 1.00 1.00 C ATOM 227 C SER A 15 3.552 -4.583 -3.883 1.00 1.00 C ATOM 228 O SER A 15 3.758 -5.750 -4.148 1.00 1.00 O ATOM 229 CB SER A 15 3.102 -2.790 -5.614 1.00 1.00 C ATOM 230 OG SER A 15 3.822 -1.872 -4.805 1.00 1.00 O ATOM 0 H SER A 15 1.446 -2.033 -3.927 1.00 1.00 H new ATOM 0 HA SER A 15 1.833 -4.497 -5.146 1.00 1.00 H new ATOM 0 HB2 SER A 15 3.763 -3.304 -6.312 1.00 1.00 H new ATOM 0 HB3 SER A 15 2.343 -2.282 -6.209 1.00 1.00 H new ATOM 0 HG SER A 15 4.261 -1.208 -5.376 1.00 1.00 H new ATOM 236 N ALA A 16 4.204 -3.904 -2.970 1.00 1.00 N ATOM 237 CA ALA A 16 5.298 -4.523 -2.157 1.00 1.00 C ATOM 238 C ALA A 16 4.748 -5.613 -1.221 1.00 1.00 C ATOM 239 O ALA A 16 5.336 -6.667 -1.076 1.00 1.00 O ATOM 240 CB ALA A 16 5.993 -3.432 -1.322 1.00 1.00 C ATOM 0 H ALA A 16 4.019 -2.925 -2.750 1.00 1.00 H new ATOM 0 HA ALA A 16 6.012 -4.986 -2.838 1.00 1.00 H new ATOM 0 HB1 ALA A 16 6.790 -3.880 -0.729 1.00 1.00 H new ATOM 0 HB2 ALA A 16 6.415 -2.679 -1.987 1.00 1.00 H new ATOM 0 HB3 ALA A 16 5.266 -2.964 -0.658 1.00 1.00 H new ATOM 246 N CYS A 17 3.621 -5.320 -0.624 1.00 1.00 N ATOM 247 CA CYS A 17 2.972 -6.287 0.312 1.00 1.00 C ATOM 248 C CYS A 17 2.451 -7.472 -0.483 1.00 1.00 C ATOM 249 O CYS A 17 2.328 -8.568 0.015 1.00 1.00 O ATOM 250 CB CYS A 17 1.802 -5.621 1.042 1.00 1.00 C ATOM 251 SG CYS A 17 1.187 -6.513 2.495 1.00 1.00 S ATOM 0 H CYS A 17 3.117 -4.442 -0.747 1.00 1.00 H new ATOM 0 HA CYS A 17 3.706 -6.617 1.047 1.00 1.00 H new ATOM 0 HB2 CYS A 17 2.110 -4.623 1.353 1.00 1.00 H new ATOM 0 HB3 CYS A 17 0.979 -5.496 0.338 1.00 1.00 H new ATOM 256 N LYS A 18 2.143 -7.210 -1.723 1.00 1.00 N ATOM 257 CA LYS A 18 1.634 -8.258 -2.625 1.00 1.00 C ATOM 258 C LYS A 18 2.800 -9.203 -2.913 1.00 1.00 C ATOM 259 O LYS A 18 2.700 -10.398 -2.731 1.00 1.00 O ATOM 260 CB LYS A 18 1.144 -7.628 -3.933 1.00 1.00 C ATOM 261 CG LYS A 18 0.455 -8.702 -4.808 1.00 1.00 C ATOM 262 CD LYS A 18 0.026 -8.126 -6.183 1.00 1.00 C ATOM 263 CE LYS A 18 1.240 -7.599 -6.985 1.00 1.00 C ATOM 264 NZ LYS A 18 2.258 -8.674 -7.166 1.00 1.00 N ATOM 0 H LYS A 18 2.228 -6.288 -2.151 1.00 1.00 H new ATOM 0 HA LYS A 18 0.799 -8.791 -2.170 1.00 1.00 H new ATOM 0 HB2 LYS A 18 0.446 -6.819 -3.718 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.983 -7.190 -4.473 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.135 -9.540 -4.960 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.419 -9.091 -4.287 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -0.483 -8.899 -6.759 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.689 -7.318 -6.032 1.00 1.00 H new ATOM 0 HE2 LYS A 18 0.910 -7.236 -7.958 1.00 1.00 H new ATOM 0 HE3 LYS A 18 1.687 -6.752 -6.464 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 2.971 -8.364 -7.857 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 2.720 -8.871 -6.256 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 1.793 -9.538 -7.512 1.00 1.00 H new ATOM 278 N LYS A 19 3.887 -8.622 -3.364 1.00 1.00 N ATOM 279 CA LYS A 19 5.086 -9.468 -3.677 1.00 1.00 C ATOM 280 C LYS A 19 5.799 -10.043 -2.429 1.00 1.00 C ATOM 281 O LYS A 19 6.507 -11.024 -2.553 1.00 1.00 O ATOM 282 CB LYS A 19 6.085 -8.633 -4.535 1.00 1.00 C ATOM 283 CG LYS A 19 6.549 -7.374 -3.809 1.00 1.00 C ATOM 284 CD LYS A 19 7.470 -6.513 -4.708 1.00 1.00 C ATOM 285 CE LYS A 19 8.785 -7.253 -5.026 1.00 1.00 C ATOM 286 NZ LYS A 19 9.669 -6.381 -5.841 1.00 1.00 N ATOM 0 H LYS A 19 3.997 -7.621 -3.527 1.00 1.00 H new ATOM 0 HA LYS A 19 4.726 -10.335 -4.230 1.00 1.00 H new ATOM 0 HB2 LYS A 19 6.950 -9.247 -4.784 1.00 1.00 H new ATOM 0 HB3 LYS A 19 5.610 -8.355 -5.476 1.00 1.00 H new ATOM 0 HG2 LYS A 19 5.682 -6.787 -3.505 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.081 -7.652 -2.899 1.00 1.00 H new ATOM 0 HD2 LYS A 19 6.953 -6.269 -5.636 1.00 1.00 H new ATOM 0 HD3 LYS A 19 7.692 -5.570 -4.209 1.00 1.00 H new ATOM 0 HE2 LYS A 19 9.288 -7.533 -4.101 1.00 1.00 H new ATOM 0 HE3 LYS A 19 8.572 -8.176 -5.565 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 10.554 -6.885 -6.053 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 9.190 -6.135 -6.730 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 9.883 -5.512 -5.311 1.00 1.00 H new ATOM 300 N LEU A 20 5.605 -9.443 -1.272 1.00 1.00 N ATOM 301 CA LEU A 20 6.265 -9.950 -0.013 1.00 1.00 C ATOM 302 C LEU A 20 5.334 -10.830 0.836 1.00 1.00 C ATOM 303 O LEU A 20 5.797 -11.754 1.477 1.00 1.00 O ATOM 304 CB LEU A 20 6.738 -8.766 0.876 1.00 1.00 C ATOM 305 CG LEU A 20 8.213 -8.366 0.603 1.00 1.00 C ATOM 306 CD1 LEU A 20 8.442 -7.910 -0.835 1.00 1.00 C ATOM 307 CD2 LEU A 20 8.600 -7.214 1.554 1.00 1.00 C ATOM 0 H LEU A 20 5.016 -8.620 -1.143 1.00 1.00 H new ATOM 0 HA LEU A 20 7.111 -10.551 -0.345 1.00 1.00 H new ATOM 0 HB2 LEU A 20 6.093 -7.905 0.700 1.00 1.00 H new ATOM 0 HB3 LEU A 20 6.628 -9.038 1.926 1.00 1.00 H new ATOM 0 HG LEU A 20 8.829 -9.249 0.772 1.00 1.00 H new ATOM 0 HD11 LEU A 20 9.490 -7.643 -0.969 1.00 1.00 H new ATOM 0 HD12 LEU A 20 8.183 -8.719 -1.519 1.00 1.00 H new ATOM 0 HD13 LEU A 20 7.816 -7.043 -1.046 1.00 1.00 H new ATOM 0 HD21 LEU A 20 9.635 -6.924 1.372 1.00 1.00 H new ATOM 0 HD22 LEU A 20 7.947 -6.360 1.376 1.00 1.00 H new ATOM 0 HD23 LEU A 20 8.492 -7.543 2.587 1.00 1.00 H new ATOM 319 N VAL A 21 4.062 -10.521 0.823 1.00 1.00 N ATOM 320 CA VAL A 21 3.056 -11.301 1.620 1.00 1.00 C ATOM 321 C VAL A 21 2.159 -12.112 0.676 1.00 1.00 C ATOM 322 O VAL A 21 1.801 -13.228 0.999 1.00 1.00 O ATOM 323 CB VAL A 21 2.183 -10.321 2.465 1.00 1.00 C ATOM 324 CG1 VAL A 21 1.277 -11.120 3.429 1.00 1.00 C ATOM 325 CG2 VAL A 21 3.085 -9.376 3.287 1.00 1.00 C ATOM 0 H VAL A 21 3.668 -9.749 0.286 1.00 1.00 H new ATOM 0 HA VAL A 21 3.580 -11.984 2.288 1.00 1.00 H new ATOM 0 HB VAL A 21 1.567 -9.732 1.785 1.00 1.00 H new ATOM 0 HG11 VAL A 21 0.671 -10.429 4.015 1.00 1.00 H new ATOM 0 HG12 VAL A 21 0.625 -11.777 2.854 1.00 1.00 H new ATOM 0 HG13 VAL A 21 1.896 -11.718 4.098 1.00 1.00 H new ATOM 0 HG21 VAL A 21 2.464 -8.698 3.872 1.00 1.00 H new ATOM 0 HG22 VAL A 21 3.712 -9.964 3.958 1.00 1.00 H new ATOM 0 HG23 VAL A 21 3.717 -8.799 2.613 1.00 1.00 H new ATOM 335 N GLY A 22 1.826 -11.534 -0.446 1.00 1.00 N ATOM 336 CA GLY A 22 0.961 -12.233 -1.436 1.00 1.00 C ATOM 337 C GLY A 22 -0.159 -11.378 -2.030 1.00 1.00 C ATOM 338 O GLY A 22 -0.520 -11.596 -3.171 1.00 1.00 O ATOM 0 H GLY A 22 2.120 -10.597 -0.721 1.00 1.00 H new ATOM 0 HA2 GLY A 22 1.588 -12.600 -2.249 1.00 1.00 H new ATOM 0 HA3 GLY A 22 0.517 -13.105 -0.957 1.00 1.00 H new ATOM 342 N LYS A 23 -0.686 -10.443 -1.273 1.00 1.00 N ATOM 343 CA LYS A 23 -1.800 -9.582 -1.803 1.00 1.00 C ATOM 344 C LYS A 23 -1.581 -8.071 -1.663 1.00 1.00 C ATOM 345 O LYS A 23 -0.981 -7.605 -0.713 1.00 1.00 O ATOM 346 CB LYS A 23 -3.104 -9.960 -1.072 1.00 1.00 C ATOM 347 CG LYS A 23 -3.460 -11.442 -1.353 1.00 1.00 C ATOM 348 CD LYS A 23 -4.752 -11.851 -0.605 1.00 1.00 C ATOM 349 CE LYS A 23 -5.976 -11.084 -1.146 1.00 1.00 C ATOM 350 NZ LYS A 23 -7.208 -11.540 -0.444 1.00 1.00 N ATOM 0 H LYS A 23 -0.397 -10.238 -0.317 1.00 1.00 H new ATOM 0 HA LYS A 23 -1.844 -9.778 -2.874 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -2.988 -9.803 0.000 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -3.917 -9.313 -1.403 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -3.593 -11.591 -2.425 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -2.636 -12.084 -1.041 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -4.914 -12.923 -0.714 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -4.637 -11.652 0.461 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -5.839 -10.013 -1.000 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -6.075 -11.250 -2.219 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -8.030 -11.020 -0.812 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -7.342 -12.559 -0.605 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -7.113 -11.360 0.576 1.00 1.00 H new ATOM 364 N ALA A 24 -2.087 -7.375 -2.654 1.00 1.00 N ATOM 365 CA ALA A 24 -2.007 -5.883 -2.732 1.00 1.00 C ATOM 366 C ALA A 24 -2.945 -5.239 -1.691 1.00 1.00 C ATOM 367 O ALA A 24 -3.979 -4.705 -2.037 1.00 1.00 O ATOM 368 CB ALA A 24 -2.396 -5.461 -4.165 1.00 1.00 C ATOM 0 H ALA A 24 -2.572 -7.801 -3.444 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.995 -5.544 -2.509 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -2.346 -4.376 -4.251 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -1.706 -5.913 -4.877 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -3.411 -5.796 -4.380 1.00 1.00 H new ATOM 374 N THR A 25 -2.563 -5.324 -0.444 1.00 1.00 N ATOM 375 CA THR A 25 -3.385 -4.741 0.658 1.00 1.00 C ATOM 376 C THR A 25 -2.490 -3.935 1.600 1.00 1.00 C ATOM 377 O THR A 25 -1.321 -3.733 1.340 1.00 1.00 O ATOM 378 CB THR A 25 -4.094 -5.925 1.392 1.00 1.00 C ATOM 379 OG1 THR A 25 -4.870 -5.402 2.461 1.00 1.00 O ATOM 380 CG2 THR A 25 -3.107 -6.921 2.035 1.00 1.00 C ATOM 0 H THR A 25 -1.703 -5.780 -0.138 1.00 1.00 H new ATOM 0 HA THR A 25 -4.139 -4.055 0.274 1.00 1.00 H new ATOM 0 HB THR A 25 -4.685 -6.443 0.637 1.00 1.00 H new ATOM 0 HG1 THR A 25 -4.383 -5.513 3.304 1.00 1.00 H new ATOM 0 HG21 THR A 25 -3.664 -7.718 2.528 1.00 1.00 H new ATOM 0 HG22 THR A 25 -2.467 -7.349 1.263 1.00 1.00 H new ATOM 0 HG23 THR A 25 -2.492 -6.401 2.769 1.00 1.00 H new ATOM 388 N GLY A 26 -3.108 -3.504 2.666 1.00 1.00 N ATOM 389 CA GLY A 26 -2.405 -2.702 3.713 1.00 1.00 C ATOM 390 C GLY A 26 -2.953 -1.288 3.892 1.00 1.00 C ATOM 391 O GLY A 26 -3.988 -0.932 3.363 1.00 1.00 O ATOM 0 H GLY A 26 -4.094 -3.678 2.861 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -2.473 -3.229 4.665 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -1.347 -2.640 3.458 1.00 1.00 H new ATOM 395 N LYS A 27 -2.218 -0.534 4.668 1.00 1.00 N ATOM 396 CA LYS A 27 -2.578 0.872 4.962 1.00 1.00 C ATOM 397 C LYS A 27 -1.287 1.687 5.143 1.00 1.00 C ATOM 398 O LYS A 27 -0.213 1.141 5.263 1.00 1.00 O ATOM 399 CB LYS A 27 -3.447 0.876 6.250 1.00 1.00 C ATOM 400 CG LYS A 27 -3.964 2.297 6.628 1.00 1.00 C ATOM 401 CD LYS A 27 -4.762 2.971 5.474 1.00 1.00 C ATOM 402 CE LYS A 27 -6.001 2.142 5.091 1.00 1.00 C ATOM 403 NZ LYS A 27 -6.761 2.834 4.015 1.00 1.00 N ATOM 0 H LYS A 27 -1.360 -0.851 5.120 1.00 1.00 H new ATOM 0 HA LYS A 27 -3.147 1.325 4.150 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -4.299 0.210 6.110 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -2.862 0.475 7.078 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -4.600 2.225 7.511 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -3.117 2.928 6.896 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -5.071 3.971 5.779 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -4.117 3.088 4.603 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -5.696 1.151 4.753 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -6.638 1.999 5.964 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -7.738 2.998 4.330 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -6.309 3.746 3.802 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -6.768 2.243 3.159 1.00 1.00 H new ATOM 417 N CYS A 28 -1.454 2.985 5.159 1.00 1.00 N ATOM 418 CA CYS A 28 -0.312 3.925 5.332 1.00 1.00 C ATOM 419 C CYS A 28 -0.398 4.444 6.759 1.00 1.00 C ATOM 420 O CYS A 28 -1.356 5.081 7.147 1.00 1.00 O ATOM 421 CB CYS A 28 -0.455 5.058 4.349 1.00 1.00 C ATOM 422 SG CYS A 28 0.789 6.367 4.376 1.00 1.00 S ATOM 0 H CYS A 28 -2.360 3.441 5.056 1.00 1.00 H new ATOM 0 HA CYS A 28 0.649 3.442 5.154 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -0.468 4.630 3.346 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -1.429 5.520 4.511 1.00 1.00 H new ATOM 427 N THR A 29 0.625 4.130 7.479 1.00 1.00 N ATOM 428 CA THR A 29 0.720 4.543 8.917 1.00 1.00 C ATOM 429 C THR A 29 2.016 5.301 9.189 1.00 1.00 C ATOM 430 O THR A 29 3.098 4.803 8.969 1.00 1.00 O ATOM 431 CB THR A 29 0.653 3.294 9.750 1.00 1.00 C ATOM 432 OG1 THR A 29 -0.582 2.703 9.387 1.00 1.00 O ATOM 433 CG2 THR A 29 0.533 3.553 11.240 1.00 1.00 C ATOM 0 H THR A 29 1.423 3.594 7.138 1.00 1.00 H new ATOM 0 HA THR A 29 -0.099 5.217 9.167 1.00 1.00 H new ATOM 0 HB THR A 29 1.558 2.711 9.579 1.00 1.00 H new ATOM 0 HG1 THR A 29 -0.940 2.199 10.148 1.00 1.00 H new ATOM 0 HG21 THR A 29 0.490 2.603 11.772 1.00 1.00 H new ATOM 0 HG22 THR A 29 1.398 4.121 11.581 1.00 1.00 H new ATOM 0 HG23 THR A 29 -0.376 4.121 11.438 1.00 1.00 H new ATOM 441 N ASN A 30 1.812 6.487 9.686 1.00 1.00 N ATOM 442 CA ASN A 30 2.906 7.448 10.036 1.00 1.00 C ATOM 443 C ASN A 30 3.960 7.531 8.911 1.00 1.00 C ATOM 444 O ASN A 30 5.151 7.580 9.144 1.00 1.00 O ATOM 445 CB ASN A 30 3.553 6.986 11.362 1.00 1.00 C ATOM 446 CG ASN A 30 2.500 6.967 12.478 1.00 1.00 C ATOM 447 OD1 ASN A 30 1.885 7.967 12.789 1.00 1.00 O ATOM 448 ND2 ASN A 30 2.259 5.848 13.105 1.00 1.00 N ATOM 0 H ASN A 30 0.879 6.852 9.876 1.00 1.00 H new ATOM 0 HA ASN A 30 2.488 8.448 10.154 1.00 1.00 H new ATOM 0 HB2 ASN A 30 3.984 5.992 11.240 1.00 1.00 H new ATOM 0 HB3 ASN A 30 4.369 7.656 11.631 1.00 1.00 H new ATOM 0 HD21 ASN A 30 1.560 5.820 13.848 1.00 1.00 H new ATOM 0 HD22 ASN A 30 2.769 5.002 12.852 1.00 1.00 H new ATOM 455 N GLY A 31 3.438 7.550 7.710 1.00 1.00 N ATOM 456 CA GLY A 31 4.258 7.624 6.478 1.00 1.00 C ATOM 457 C GLY A 31 5.114 6.372 6.233 1.00 1.00 C ATOM 458 O GLY A 31 6.093 6.446 5.518 1.00 1.00 O ATOM 0 H GLY A 31 2.434 7.515 7.535 1.00 1.00 H new ATOM 0 HA2 GLY A 31 3.600 7.777 5.622 1.00 1.00 H new ATOM 0 HA3 GLY A 31 4.911 8.495 6.538 1.00 1.00 H new ATOM 462 N ARG A 32 4.702 5.288 6.829 1.00 1.00 N ATOM 463 CA ARG A 32 5.388 3.962 6.728 1.00 1.00 C ATOM 464 C ARG A 32 4.310 2.936 6.409 1.00 1.00 C ATOM 465 O ARG A 32 3.151 3.171 6.659 1.00 1.00 O ATOM 466 CB ARG A 32 6.031 3.556 8.056 1.00 1.00 C ATOM 467 CG ARG A 32 6.916 4.687 8.613 1.00 1.00 C ATOM 468 CD ARG A 32 8.064 4.996 7.651 1.00 1.00 C ATOM 469 NE ARG A 32 8.764 6.216 8.130 1.00 1.00 N ATOM 470 CZ ARG A 32 8.773 7.282 7.377 1.00 1.00 C ATOM 471 NH1 ARG A 32 7.714 8.044 7.355 1.00 1.00 N ATOM 472 NH2 ARG A 32 9.838 7.548 6.673 1.00 1.00 N ATOM 0 H ARG A 32 3.869 5.266 7.417 1.00 1.00 H new ATOM 0 HA ARG A 32 6.169 4.018 5.969 1.00 1.00 H new ATOM 0 HB2 ARG A 32 5.254 3.309 8.779 1.00 1.00 H new ATOM 0 HB3 ARG A 32 6.631 2.657 7.913 1.00 1.00 H new ATOM 0 HG2 ARG A 32 6.315 5.583 8.770 1.00 1.00 H new ATOM 0 HG3 ARG A 32 7.316 4.398 9.585 1.00 1.00 H new ATOM 0 HD2 ARG A 32 8.756 4.155 7.605 1.00 1.00 H new ATOM 0 HD3 ARG A 32 7.682 5.150 6.642 1.00 1.00 H new ATOM 0 HE ARG A 32 9.232 6.220 9.036 1.00 1.00 H new ATOM 0 HH11 ARG A 32 6.900 7.802 7.920 1.00 1.00 H new ATOM 0 HH12 ARG A 32 7.700 8.882 6.773 1.00 1.00 H new ATOM 0 HH21 ARG A 32 10.646 6.927 6.716 1.00 1.00 H new ATOM 0 HH22 ARG A 32 9.863 8.377 6.079 1.00 1.00 H new ATOM 486 N CYS A 33 4.708 1.818 5.867 1.00 1.00 N ATOM 487 CA CYS A 33 3.688 0.783 5.537 1.00 1.00 C ATOM 488 C CYS A 33 3.119 0.074 6.757 1.00 1.00 C ATOM 489 O CYS A 33 3.821 -0.198 7.710 1.00 1.00 O ATOM 490 CB CYS A 33 4.260 -0.306 4.678 1.00 1.00 C ATOM 491 SG CYS A 33 3.113 -1.390 3.802 1.00 1.00 S ATOM 0 H CYS A 33 5.674 1.579 5.642 1.00 1.00 H new ATOM 0 HA CYS A 33 2.906 1.345 5.027 1.00 1.00 H new ATOM 0 HB2 CYS A 33 4.909 0.160 3.937 1.00 1.00 H new ATOM 0 HB3 CYS A 33 4.893 -0.930 5.309 1.00 1.00 H new ATOM 496 N ASP A 34 1.853 -0.178 6.648 1.00 1.00 N ATOM 497 CA ASP A 34 1.099 -0.884 7.711 1.00 1.00 C ATOM 498 C ASP A 34 0.225 -1.934 7.014 1.00 1.00 C ATOM 499 O ASP A 34 -0.954 -1.723 6.840 1.00 1.00 O ATOM 500 CB ASP A 34 0.273 0.139 8.459 1.00 1.00 C ATOM 501 CG ASP A 34 -0.322 -0.450 9.746 1.00 1.00 C ATOM 502 OD1 ASP A 34 -1.174 -1.314 9.619 1.00 1.00 O ATOM 503 OD2 ASP A 34 0.106 -0.001 10.795 1.00 1.00 O ATOM 0 H ASP A 34 1.290 0.085 5.839 1.00 1.00 H new ATOM 0 HA ASP A 34 1.746 -1.383 8.433 1.00 1.00 H new ATOM 0 HB2 ASP A 34 0.894 1.000 8.705 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -0.531 0.499 7.817 1.00 1.00 H new ATOM 508 N CYS A 35 0.823 -3.038 6.628 1.00 1.00 N ATOM 509 CA CYS A 35 0.035 -4.105 5.932 1.00 1.00 C ATOM 510 C CYS A 35 0.049 -5.421 6.731 1.00 1.00 C ATOM 511 O CYS A 35 0.069 -6.475 6.118 1.00 1.00 O ATOM 512 CB CYS A 35 0.657 -4.256 4.512 1.00 1.00 C ATOM 513 SG CYS A 35 -0.201 -5.310 3.322 1.00 1.00 S ATOM 514 OXT CYS A 35 0.022 -5.292 7.947 1.00 1.00 O ATOM 0 H CYS A 35 1.813 -3.244 6.763 1.00 1.00 H new ATOM 0 HA CYS A 35 -1.018 -3.835 5.851 1.00 1.00 H new ATOM 0 HB2 CYS A 35 0.742 -3.260 4.077 1.00 1.00 H new ATOM 0 HB3 CYS A 35 1.670 -4.640 4.630 1.00 1.00 H new TER 519 CYS A 35