USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=10 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 Single : A 1 VAL N :NH3+ 139:sc= -1.4! (180deg=-1.95!) USER MOD Single : A 5 GLN : amide:sc= -0.22 K(o=-0.22,f=-3.5!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.111 USER MOD Single : A 18 LYS NZ :NH3+ 168:sc= -0.0124 (180deg=-0.216) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= -0.0768 (180deg=-0.328) USER MOD Single : A 25 THR OG1 : rot 98:sc= 2.34 USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.109) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0753 USER MOD Single : A 30 ASN : amide:sc= -0.35 K(o=-0.35,f=0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.603 -7.306 6.173 1.00 1.00 N ATOM 2 CA VAL A 1 2.993 -6.850 7.545 1.00 1.00 C ATOM 3 C VAL A 1 3.365 -5.362 7.483 1.00 1.00 C ATOM 4 O VAL A 1 3.495 -4.787 6.420 1.00 1.00 O ATOM 5 CB VAL A 1 4.216 -7.663 8.036 1.00 1.00 C ATOM 6 CG1 VAL A 1 4.577 -7.385 9.519 1.00 1.00 C ATOM 7 CG2 VAL A 1 3.991 -9.186 7.860 1.00 1.00 C ATOM 0 H1 VAL A 1 3.000 -8.251 5.995 1.00 1.00 H new ATOM 0 H2 VAL A 1 1.566 -7.347 6.103 1.00 1.00 H new ATOM 0 H3 VAL A 1 2.971 -6.637 5.467 1.00 1.00 H new ATOM 0 HA VAL A 1 2.162 -7.001 8.234 1.00 1.00 H new ATOM 0 HB VAL A 1 5.048 -7.333 7.414 1.00 1.00 H new ATOM 0 HG11 VAL A 1 5.442 -7.985 9.802 1.00 1.00 H new ATOM 0 HG12 VAL A 1 4.812 -6.328 9.644 1.00 1.00 H new ATOM 0 HG13 VAL A 1 3.731 -7.646 10.155 1.00 1.00 H new ATOM 0 HG21 VAL A 1 4.869 -9.727 8.214 1.00 1.00 H new ATOM 0 HG22 VAL A 1 3.118 -9.494 8.436 1.00 1.00 H new ATOM 0 HG23 VAL A 1 3.828 -9.410 6.806 1.00 1.00 H new ATOM 19 N VAL A 2 3.519 -4.783 8.643 1.00 1.00 N ATOM 20 CA VAL A 2 3.894 -3.342 8.750 1.00 1.00 C ATOM 21 C VAL A 2 5.352 -3.182 8.307 1.00 1.00 C ATOM 22 O VAL A 2 6.237 -3.774 8.891 1.00 1.00 O ATOM 23 CB VAL A 2 3.657 -2.910 10.237 1.00 1.00 C ATOM 24 CG1 VAL A 2 4.418 -3.803 11.253 1.00 1.00 C ATOM 25 CG2 VAL A 2 4.045 -1.433 10.485 1.00 1.00 C ATOM 0 H VAL A 2 3.399 -5.257 9.538 1.00 1.00 H new ATOM 0 HA VAL A 2 3.293 -2.701 8.105 1.00 1.00 H new ATOM 0 HB VAL A 2 2.586 -3.034 10.398 1.00 1.00 H new ATOM 0 HG11 VAL A 2 4.215 -3.456 12.266 1.00 1.00 H new ATOM 0 HG12 VAL A 2 4.085 -4.836 11.150 1.00 1.00 H new ATOM 0 HG13 VAL A 2 5.489 -3.746 11.057 1.00 1.00 H new ATOM 0 HG21 VAL A 2 3.863 -1.180 11.529 1.00 1.00 H new ATOM 0 HG22 VAL A 2 5.101 -1.291 10.255 1.00 1.00 H new ATOM 0 HG23 VAL A 2 3.444 -0.787 9.845 1.00 1.00 H new ATOM 35 N ILE A 3 5.559 -2.390 7.280 1.00 1.00 N ATOM 36 CA ILE A 3 6.959 -2.177 6.781 1.00 1.00 C ATOM 37 C ILE A 3 7.366 -0.716 6.611 1.00 1.00 C ATOM 38 O ILE A 3 6.560 0.186 6.497 1.00 1.00 O ATOM 39 CB ILE A 3 7.175 -2.903 5.397 1.00 1.00 C ATOM 40 CG1 ILE A 3 6.420 -2.215 4.224 1.00 1.00 C ATOM 41 CG2 ILE A 3 6.625 -4.317 5.527 1.00 1.00 C ATOM 42 CD1 ILE A 3 6.881 -2.789 2.866 1.00 1.00 C ATOM 0 H ILE A 3 4.831 -1.888 6.771 1.00 1.00 H new ATOM 0 HA ILE A 3 7.589 -2.600 7.563 1.00 1.00 H new ATOM 0 HB ILE A 3 8.241 -2.875 5.171 1.00 1.00 H new ATOM 0 HG12 ILE A 3 5.346 -2.361 4.341 1.00 1.00 H new ATOM 0 HG13 ILE A 3 6.600 -1.140 4.250 1.00 1.00 H new ATOM 0 HG21 ILE A 3 6.759 -4.848 4.584 1.00 1.00 H new ATOM 0 HG22 ILE A 3 7.158 -4.843 6.319 1.00 1.00 H new ATOM 0 HG23 ILE A 3 5.564 -4.274 5.771 1.00 1.00 H new ATOM 0 HD11 ILE A 3 6.340 -2.294 2.059 1.00 1.00 H new ATOM 0 HD12 ILE A 3 7.951 -2.619 2.744 1.00 1.00 H new ATOM 0 HD13 ILE A 3 6.678 -3.859 2.836 1.00 1.00 H new ATOM 54 N GLY A 4 8.670 -0.596 6.598 1.00 1.00 N ATOM 55 CA GLY A 4 9.364 0.699 6.441 1.00 1.00 C ATOM 56 C GLY A 4 8.830 1.482 5.245 1.00 1.00 C ATOM 57 O GLY A 4 8.600 2.666 5.382 1.00 1.00 O ATOM 0 H GLY A 4 9.303 -1.390 6.696 1.00 1.00 H new ATOM 0 HA2 GLY A 4 9.241 1.291 7.348 1.00 1.00 H new ATOM 0 HA3 GLY A 4 10.433 0.527 6.316 1.00 1.00 H new ATOM 61 N GLN A 5 8.664 0.787 4.136 1.00 1.00 N ATOM 62 CA GLN A 5 8.148 1.393 2.859 1.00 1.00 C ATOM 63 C GLN A 5 7.370 2.689 3.081 1.00 1.00 C ATOM 64 O GLN A 5 6.176 2.662 3.296 1.00 1.00 O ATOM 65 CB GLN A 5 7.244 0.367 2.111 1.00 1.00 C ATOM 66 CG GLN A 5 6.600 0.935 0.813 1.00 1.00 C ATOM 67 CD GLN A 5 7.653 1.501 -0.144 1.00 1.00 C ATOM 68 OE1 GLN A 5 8.276 2.513 0.103 1.00 1.00 O ATOM 69 NE2 GLN A 5 7.887 0.875 -1.261 1.00 1.00 N ATOM 0 H GLN A 5 8.873 -0.209 4.064 1.00 1.00 H new ATOM 0 HA GLN A 5 9.022 1.642 2.257 1.00 1.00 H new ATOM 0 HB2 GLN A 5 7.838 -0.511 1.858 1.00 1.00 H new ATOM 0 HB3 GLN A 5 6.453 0.034 2.783 1.00 1.00 H new ATOM 0 HG2 GLN A 5 6.039 0.147 0.311 1.00 1.00 H new ATOM 0 HG3 GLN A 5 5.887 1.718 1.073 1.00 1.00 H new ATOM 0 HE21 GLN A 5 7.373 0.023 -1.485 1.00 1.00 H new ATOM 0 HE22 GLN A 5 8.584 1.236 -1.912 1.00 1.00 H new ATOM 78 N ARG A 6 8.097 3.785 3.035 1.00 1.00 N ATOM 79 CA ARG A 6 7.463 5.120 3.232 1.00 1.00 C ATOM 80 C ARG A 6 6.189 5.188 2.385 1.00 1.00 C ATOM 81 O ARG A 6 6.167 4.670 1.284 1.00 1.00 O ATOM 82 CB ARG A 6 8.469 6.220 2.810 1.00 1.00 C ATOM 83 CG ARG A 6 8.807 6.109 1.307 1.00 1.00 C ATOM 84 CD ARG A 6 9.904 7.124 0.953 1.00 1.00 C ATOM 85 NE ARG A 6 10.204 6.983 -0.496 1.00 1.00 N ATOM 86 CZ ARG A 6 11.401 6.632 -0.886 1.00 1.00 C ATOM 87 NH1 ARG A 6 11.703 5.363 -0.920 1.00 1.00 N ATOM 88 NH2 ARG A 6 12.251 7.558 -1.225 1.00 1.00 N ATOM 0 H ARG A 6 9.103 3.806 2.869 1.00 1.00 H new ATOM 0 HA ARG A 6 7.198 5.274 4.278 1.00 1.00 H new ATOM 0 HB2 ARG A 6 8.049 7.203 3.021 1.00 1.00 H new ATOM 0 HB3 ARG A 6 9.381 6.130 3.400 1.00 1.00 H new ATOM 0 HG2 ARG A 6 9.142 5.099 1.072 1.00 1.00 H new ATOM 0 HG3 ARG A 6 7.916 6.297 0.708 1.00 1.00 H new ATOM 0 HD2 ARG A 6 9.573 8.138 1.178 1.00 1.00 H new ATOM 0 HD3 ARG A 6 10.799 6.942 1.548 1.00 1.00 H new ATOM 0 HE ARG A 6 9.475 7.160 -1.187 1.00 1.00 H new ATOM 0 HH11 ARG A 6 11.010 4.666 -0.645 1.00 1.00 H new ATOM 0 HH12 ARG A 6 12.632 5.068 -1.221 1.00 1.00 H new ATOM 0 HH21 ARG A 6 11.979 8.540 -1.184 1.00 1.00 H new ATOM 0 HH22 ARG A 6 13.189 7.301 -1.532 1.00 1.00 H new ATOM 102 N CYS A 7 5.175 5.818 2.914 1.00 1.00 N ATOM 103 CA CYS A 7 3.910 5.912 2.144 1.00 1.00 C ATOM 104 C CYS A 7 3.593 7.342 1.727 1.00 1.00 C ATOM 105 O CYS A 7 4.078 8.295 2.308 1.00 1.00 O ATOM 106 CB CYS A 7 2.803 5.311 3.005 1.00 1.00 C ATOM 107 SG CYS A 7 2.428 6.043 4.612 1.00 1.00 S ATOM 0 H CYS A 7 5.170 6.264 3.831 1.00 1.00 H new ATOM 0 HA CYS A 7 4.004 5.357 1.211 1.00 1.00 H new ATOM 0 HB2 CYS A 7 1.886 5.329 2.416 1.00 1.00 H new ATOM 0 HB3 CYS A 7 3.053 4.264 3.174 1.00 1.00 H new ATOM 112 N TYR A 8 2.769 7.424 0.715 1.00 1.00 N ATOM 113 CA TYR A 8 2.322 8.729 0.139 1.00 1.00 C ATOM 114 C TYR A 8 0.816 8.786 0.364 1.00 1.00 C ATOM 115 O TYR A 8 0.290 9.662 1.020 1.00 1.00 O ATOM 116 CB TYR A 8 2.658 8.726 -1.359 1.00 1.00 C ATOM 117 CG TYR A 8 2.577 10.131 -1.985 1.00 1.00 C ATOM 118 CD1 TYR A 8 1.398 10.854 -2.004 1.00 1.00 C ATOM 119 CD2 TYR A 8 3.706 10.695 -2.551 1.00 1.00 C ATOM 120 CE1 TYR A 8 1.347 12.105 -2.577 1.00 1.00 C ATOM 121 CE2 TYR A 8 3.654 11.949 -3.124 1.00 1.00 C ATOM 122 CZ TYR A 8 2.476 12.663 -3.142 1.00 1.00 C ATOM 123 OH TYR A 8 2.427 13.916 -3.716 1.00 1.00 O ATOM 0 H TYR A 8 2.373 6.609 0.247 1.00 1.00 H new ATOM 0 HA TYR A 8 2.807 9.592 0.595 1.00 1.00 H new ATOM 0 HB2 TYR A 8 3.662 8.325 -1.502 1.00 1.00 H new ATOM 0 HB3 TYR A 8 1.971 8.059 -1.881 1.00 1.00 H new ATOM 0 HD1 TYR A 8 0.506 10.432 -1.564 1.00 1.00 H new ATOM 0 HD2 TYR A 8 4.637 10.148 -2.544 1.00 1.00 H new ATOM 0 HE1 TYR A 8 0.417 12.654 -2.584 1.00 1.00 H new ATOM 0 HE2 TYR A 8 4.545 12.375 -3.562 1.00 1.00 H new ATOM 0 HH TYR A 8 3.313 14.152 -4.063 1.00 1.00 H new ATOM 133 N ARG A 9 0.196 7.798 -0.219 1.00 1.00 N ATOM 134 CA ARG A 9 -1.281 7.622 -0.153 1.00 1.00 C ATOM 135 C ARG A 9 -1.539 6.333 0.618 1.00 1.00 C ATOM 136 O ARG A 9 -0.611 5.589 0.873 1.00 1.00 O ATOM 137 CB ARG A 9 -1.848 7.485 -1.576 1.00 1.00 C ATOM 138 CG ARG A 9 -1.265 8.597 -2.460 1.00 1.00 C ATOM 139 CD ARG A 9 -1.736 8.453 -3.904 1.00 1.00 C ATOM 140 NE ARG A 9 -1.140 9.591 -4.665 1.00 1.00 N ATOM 141 CZ ARG A 9 -0.221 9.367 -5.565 1.00 1.00 C ATOM 142 NH1 ARG A 9 -0.577 8.994 -6.763 1.00 1.00 N ATOM 143 NH2 ARG A 9 1.023 9.529 -5.225 1.00 1.00 N ATOM 0 H ARG A 9 0.674 7.077 -0.760 1.00 1.00 H new ATOM 0 HA ARG A 9 -1.755 8.475 0.332 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -1.597 6.507 -1.988 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -2.936 7.553 -1.555 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -1.565 9.570 -2.071 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -0.176 8.562 -2.424 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -1.416 7.498 -4.322 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -2.824 8.477 -3.960 1.00 1.00 H new ATOM 0 HE ARG A 9 -1.451 10.545 -4.481 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -1.565 8.880 -6.989 1.00 1.00 H new ATOM 0 HH12 ARG A 9 0.133 8.816 -7.474 1.00 1.00 H new ATOM 0 HH21 ARG A 9 1.258 9.823 -4.277 1.00 1.00 H new ATOM 0 HH22 ARG A 9 1.764 9.362 -5.906 1.00 1.00 H new ATOM 157 N SER A 10 -2.784 6.120 0.964 1.00 1.00 N ATOM 158 CA SER A 10 -3.174 4.887 1.723 1.00 1.00 C ATOM 159 C SER A 10 -2.384 3.661 1.257 1.00 1.00 C ATOM 160 O SER A 10 -1.743 3.029 2.073 1.00 1.00 O ATOM 161 CB SER A 10 -4.670 4.584 1.550 1.00 1.00 C ATOM 162 OG SER A 10 -5.325 5.666 2.194 1.00 1.00 O ATOM 0 H SER A 10 -3.556 6.752 0.752 1.00 1.00 H new ATOM 0 HA SER A 10 -2.949 5.086 2.771 1.00 1.00 H new ATOM 0 HB2 SER A 10 -4.944 4.523 0.497 1.00 1.00 H new ATOM 0 HB3 SER A 10 -4.938 3.630 2.004 1.00 1.00 H new ATOM 0 HG SER A 10 -6.295 5.548 2.126 1.00 1.00 H new ATOM 168 N PRO A 11 -2.432 3.341 -0.016 1.00 1.00 N ATOM 169 CA PRO A 11 -1.627 2.237 -0.555 1.00 1.00 C ATOM 170 C PRO A 11 -0.116 2.501 -0.471 1.00 1.00 C ATOM 171 O PRO A 11 0.460 2.256 0.562 1.00 1.00 O ATOM 172 CB PRO A 11 -2.152 2.075 -1.996 1.00 1.00 C ATOM 173 CG PRO A 11 -2.530 3.528 -2.365 1.00 1.00 C ATOM 174 CD PRO A 11 -3.249 3.982 -1.098 1.00 1.00 C ATOM 0 HA PRO A 11 -1.734 1.318 0.021 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -1.392 1.669 -2.664 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -3.010 1.405 -2.045 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -1.653 4.138 -2.581 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -3.175 3.575 -3.243 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -3.264 5.068 -1.006 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -4.286 3.646 -1.077 1.00 1.00 H new ATOM 182 N ASP A 12 0.436 2.999 -1.546 1.00 1.00 N ATOM 183 CA ASP A 12 1.897 3.321 -1.691 1.00 1.00 C ATOM 184 C ASP A 12 2.741 2.249 -0.954 1.00 1.00 C ATOM 185 O ASP A 12 3.818 2.490 -0.445 1.00 1.00 O ATOM 186 CB ASP A 12 2.124 4.732 -1.103 1.00 1.00 C ATOM 187 CG ASP A 12 3.397 5.353 -1.713 1.00 1.00 C ATOM 188 OD1 ASP A 12 3.305 5.716 -2.877 1.00 1.00 O ATOM 189 OD2 ASP A 12 4.389 5.431 -1.011 1.00 1.00 O ATOM 0 H ASP A 12 -0.102 3.210 -2.387 1.00 1.00 H new ATOM 0 HA ASP A 12 2.205 3.313 -2.736 1.00 1.00 H new ATOM 0 HB2 ASP A 12 1.263 5.366 -1.312 1.00 1.00 H new ATOM 0 HB3 ASP A 12 2.220 4.673 -0.019 1.00 1.00 H new ATOM 194 N CYS A 13 2.143 1.087 -0.963 1.00 1.00 N ATOM 195 CA CYS A 13 2.685 -0.148 -0.341 1.00 1.00 C ATOM 196 C CYS A 13 1.963 -1.427 -0.820 1.00 1.00 C ATOM 197 O CYS A 13 2.541 -2.490 -0.726 1.00 1.00 O ATOM 198 CB CYS A 13 2.553 -0.075 1.163 1.00 1.00 C ATOM 199 SG CYS A 13 3.270 -1.488 2.037 1.00 1.00 S ATOM 0 H CYS A 13 1.238 0.943 -1.410 1.00 1.00 H new ATOM 0 HA CYS A 13 3.730 -0.207 -0.644 1.00 1.00 H new ATOM 0 HB2 CYS A 13 3.033 0.838 1.515 1.00 1.00 H new ATOM 0 HB3 CYS A 13 1.497 0.000 1.421 1.00 1.00 H new ATOM 204 N TYR A 14 0.739 -1.312 -1.301 1.00 1.00 N ATOM 205 CA TYR A 14 -0.046 -2.494 -1.797 1.00 1.00 C ATOM 206 C TYR A 14 0.863 -3.461 -2.541 1.00 1.00 C ATOM 207 O TYR A 14 0.971 -4.609 -2.162 1.00 1.00 O ATOM 208 CB TYR A 14 -1.158 -1.963 -2.734 1.00 1.00 C ATOM 209 CG TYR A 14 -2.469 -1.577 -1.999 1.00 1.00 C ATOM 210 CD1 TYR A 14 -2.485 -0.893 -0.804 1.00 1.00 C ATOM 211 CD2 TYR A 14 -3.677 -1.925 -2.578 1.00 1.00 C ATOM 212 CE1 TYR A 14 -3.685 -0.564 -0.203 1.00 1.00 C ATOM 213 CE2 TYR A 14 -4.871 -1.599 -1.978 1.00 1.00 C ATOM 214 CZ TYR A 14 -4.884 -0.913 -0.784 1.00 1.00 C ATOM 215 OH TYR A 14 -6.076 -0.580 -0.170 1.00 1.00 O ATOM 0 H TYR A 14 0.242 -0.424 -1.371 1.00 1.00 H new ATOM 0 HA TYR A 14 -0.486 -3.035 -0.959 1.00 1.00 H new ATOM 0 HB2 TYR A 14 -0.783 -1.091 -3.269 1.00 1.00 H new ATOM 0 HB3 TYR A 14 -1.383 -2.723 -3.482 1.00 1.00 H new ATOM 0 HD1 TYR A 14 -1.554 -0.612 -0.334 1.00 1.00 H new ATOM 0 HD2 TYR A 14 -3.682 -2.461 -3.516 1.00 1.00 H new ATOM 0 HE1 TYR A 14 -3.683 -0.027 0.734 1.00 1.00 H new ATOM 0 HE2 TYR A 14 -5.802 -1.882 -2.445 1.00 1.00 H new ATOM 0 HH TYR A 14 -6.825 -0.900 -0.715 1.00 1.00 H new ATOM 225 N SER A 15 1.486 -2.959 -3.569 1.00 1.00 N ATOM 226 CA SER A 15 2.422 -3.792 -4.385 1.00 1.00 C ATOM 227 C SER A 15 3.491 -4.457 -3.496 1.00 1.00 C ATOM 228 O SER A 15 3.775 -5.623 -3.660 1.00 1.00 O ATOM 229 CB SER A 15 3.088 -2.893 -5.444 1.00 1.00 C ATOM 230 OG SER A 15 3.734 -1.875 -4.698 1.00 1.00 O ATOM 0 H SER A 15 1.387 -1.994 -3.886 1.00 1.00 H new ATOM 0 HA SER A 15 1.861 -4.588 -4.874 1.00 1.00 H new ATOM 0 HB2 SER A 15 3.801 -3.454 -6.048 1.00 1.00 H new ATOM 0 HB3 SER A 15 2.350 -2.475 -6.129 1.00 1.00 H new ATOM 0 HG SER A 15 4.187 -1.258 -5.310 1.00 1.00 H new ATOM 236 N ALA A 16 4.058 -3.703 -2.587 1.00 1.00 N ATOM 237 CA ALA A 16 5.107 -4.270 -1.680 1.00 1.00 C ATOM 238 C ALA A 16 4.559 -5.464 -0.887 1.00 1.00 C ATOM 239 O ALA A 16 5.088 -6.557 -0.966 1.00 1.00 O ATOM 240 CB ALA A 16 5.585 -3.170 -0.711 1.00 1.00 C ATOM 0 H ALA A 16 3.840 -2.718 -2.433 1.00 1.00 H new ATOM 0 HA ALA A 16 5.943 -4.621 -2.284 1.00 1.00 H new ATOM 0 HB1 ALA A 16 6.349 -3.576 -0.048 1.00 1.00 H new ATOM 0 HB2 ALA A 16 6.003 -2.340 -1.281 1.00 1.00 H new ATOM 0 HB3 ALA A 16 4.742 -2.815 -0.119 1.00 1.00 H new ATOM 246 N CYS A 17 3.506 -5.218 -0.148 1.00 1.00 N ATOM 247 CA CYS A 17 2.879 -6.307 0.664 1.00 1.00 C ATOM 248 C CYS A 17 2.609 -7.479 -0.275 1.00 1.00 C ATOM 249 O CYS A 17 2.892 -8.609 0.055 1.00 1.00 O ATOM 250 CB CYS A 17 1.541 -5.852 1.296 1.00 1.00 C ATOM 251 SG CYS A 17 0.995 -6.819 2.732 1.00 1.00 S ATOM 0 H CYS A 17 3.052 -4.308 -0.072 1.00 1.00 H new ATOM 0 HA CYS A 17 3.553 -6.582 1.476 1.00 1.00 H new ATOM 0 HB2 CYS A 17 1.636 -4.808 1.596 1.00 1.00 H new ATOM 0 HB3 CYS A 17 0.764 -5.895 0.533 1.00 1.00 H new ATOM 256 N LYS A 18 2.066 -7.173 -1.432 1.00 1.00 N ATOM 257 CA LYS A 18 1.762 -8.234 -2.445 1.00 1.00 C ATOM 258 C LYS A 18 3.020 -9.087 -2.657 1.00 1.00 C ATOM 259 O LYS A 18 2.979 -10.299 -2.647 1.00 1.00 O ATOM 260 CB LYS A 18 1.361 -7.579 -3.768 1.00 1.00 C ATOM 261 CG LYS A 18 0.725 -8.628 -4.705 1.00 1.00 C ATOM 262 CD LYS A 18 0.316 -7.986 -6.057 1.00 1.00 C ATOM 263 CE LYS A 18 1.538 -7.388 -6.798 1.00 1.00 C ATOM 264 NZ LYS A 18 2.583 -8.432 -7.016 1.00 1.00 N ATOM 0 H LYS A 18 1.819 -6.226 -1.719 1.00 1.00 H new ATOM 0 HA LYS A 18 0.942 -8.860 -2.093 1.00 1.00 H new ATOM 0 HB2 LYS A 18 0.655 -6.769 -3.583 1.00 1.00 H new ATOM 0 HB3 LYS A 18 2.236 -7.137 -4.244 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.431 -9.439 -4.882 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.151 -9.066 -4.226 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -0.161 -8.737 -6.687 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.422 -7.203 -5.880 1.00 1.00 H new ATOM 0 HE2 LYS A 18 1.223 -6.976 -7.756 1.00 1.00 H new ATOM 0 HE3 LYS A 18 1.954 -6.564 -6.218 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 3.297 -8.075 -7.683 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 3.040 -8.661 -6.110 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 2.142 -9.289 -7.407 1.00 1.00 H new ATOM 278 N LYS A 19 4.115 -8.402 -2.842 1.00 1.00 N ATOM 279 CA LYS A 19 5.422 -9.102 -3.060 1.00 1.00 C ATOM 280 C LYS A 19 5.793 -9.930 -1.817 1.00 1.00 C ATOM 281 O LYS A 19 6.349 -11.002 -1.950 1.00 1.00 O ATOM 282 CB LYS A 19 6.511 -8.045 -3.363 1.00 1.00 C ATOM 283 CG LYS A 19 6.189 -7.383 -4.724 1.00 1.00 C ATOM 284 CD LYS A 19 7.093 -6.154 -4.941 1.00 1.00 C ATOM 285 CE LYS A 19 6.687 -5.468 -6.252 1.00 1.00 C ATOM 286 NZ LYS A 19 7.533 -4.262 -6.476 1.00 1.00 N ATOM 0 H LYS A 19 4.165 -7.383 -2.852 1.00 1.00 H new ATOM 0 HA LYS A 19 5.341 -9.785 -3.905 1.00 1.00 H new ATOM 0 HB2 LYS A 19 6.539 -7.294 -2.574 1.00 1.00 H new ATOM 0 HB3 LYS A 19 7.495 -8.513 -3.393 1.00 1.00 H new ATOM 0 HG2 LYS A 19 6.338 -8.101 -5.531 1.00 1.00 H new ATOM 0 HG3 LYS A 19 5.141 -7.083 -4.753 1.00 1.00 H new ATOM 0 HD2 LYS A 19 6.994 -5.461 -4.106 1.00 1.00 H new ATOM 0 HD3 LYS A 19 8.139 -6.457 -4.982 1.00 1.00 H new ATOM 0 HE2 LYS A 19 6.799 -6.162 -7.085 1.00 1.00 H new ATOM 0 HE3 LYS A 19 5.636 -5.183 -6.213 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 7.253 -3.802 -7.366 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 7.405 -3.597 -5.687 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 8.532 -4.544 -6.532 1.00 1.00 H new ATOM 300 N LEU A 20 5.477 -9.415 -0.649 1.00 1.00 N ATOM 301 CA LEU A 20 5.808 -10.167 0.604 1.00 1.00 C ATOM 302 C LEU A 20 4.949 -11.435 0.811 1.00 1.00 C ATOM 303 O LEU A 20 5.498 -12.507 0.978 1.00 1.00 O ATOM 304 CB LEU A 20 5.617 -9.241 1.844 1.00 1.00 C ATOM 305 CG LEU A 20 6.883 -8.387 2.127 1.00 1.00 C ATOM 306 CD1 LEU A 20 7.140 -7.340 1.028 1.00 1.00 C ATOM 307 CD2 LEU A 20 6.691 -7.655 3.475 1.00 1.00 C ATOM 0 H LEU A 20 5.010 -8.518 -0.511 1.00 1.00 H new ATOM 0 HA LEU A 20 6.845 -10.485 0.497 1.00 1.00 H new ATOM 0 HB2 LEU A 20 4.764 -8.583 1.678 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.385 -9.848 2.719 1.00 1.00 H new ATOM 0 HG LEU A 20 7.742 -9.058 2.154 1.00 1.00 H new ATOM 0 HD11 LEU A 20 8.036 -6.769 1.272 1.00 1.00 H new ATOM 0 HD12 LEU A 20 7.280 -7.843 0.071 1.00 1.00 H new ATOM 0 HD13 LEU A 20 6.286 -6.665 0.961 1.00 1.00 H new ATOM 0 HD21 LEU A 20 7.572 -7.050 3.689 1.00 1.00 H new ATOM 0 HD22 LEU A 20 5.814 -7.011 3.417 1.00 1.00 H new ATOM 0 HD23 LEU A 20 6.552 -8.387 4.270 1.00 1.00 H new ATOM 319 N VAL A 21 3.649 -11.289 0.793 1.00 1.00 N ATOM 320 CA VAL A 21 2.707 -12.420 0.981 1.00 1.00 C ATOM 321 C VAL A 21 2.015 -12.881 -0.310 1.00 1.00 C ATOM 322 O VAL A 21 1.910 -14.069 -0.545 1.00 1.00 O ATOM 323 CB VAL A 21 1.667 -11.972 2.030 1.00 1.00 C ATOM 324 CG1 VAL A 21 2.325 -11.922 3.427 1.00 1.00 C ATOM 325 CG2 VAL A 21 1.063 -10.577 1.726 1.00 1.00 C ATOM 0 H VAL A 21 3.189 -10.390 0.649 1.00 1.00 H new ATOM 0 HA VAL A 21 3.273 -13.290 1.314 1.00 1.00 H new ATOM 0 HB VAL A 21 0.859 -12.703 1.998 1.00 1.00 H new ATOM 0 HG11 VAL A 21 1.588 -11.605 4.165 1.00 1.00 H new ATOM 0 HG12 VAL A 21 2.699 -12.912 3.689 1.00 1.00 H new ATOM 0 HG13 VAL A 21 3.153 -11.213 3.414 1.00 1.00 H new ATOM 0 HG21 VAL A 21 0.339 -10.318 2.499 1.00 1.00 H new ATOM 0 HG22 VAL A 21 1.858 -9.832 1.709 1.00 1.00 H new ATOM 0 HG23 VAL A 21 0.566 -10.599 0.756 1.00 1.00 H new ATOM 335 N GLY A 22 1.568 -11.944 -1.107 1.00 1.00 N ATOM 336 CA GLY A 22 0.877 -12.259 -2.394 1.00 1.00 C ATOM 337 C GLY A 22 -0.463 -11.542 -2.519 1.00 1.00 C ATOM 338 O GLY A 22 -1.282 -11.920 -3.335 1.00 1.00 O ATOM 0 H GLY A 22 1.656 -10.946 -0.913 1.00 1.00 H new ATOM 0 HA2 GLY A 22 1.519 -11.974 -3.228 1.00 1.00 H new ATOM 0 HA3 GLY A 22 0.719 -13.335 -2.466 1.00 1.00 H new ATOM 342 N LYS A 23 -0.652 -10.529 -1.710 1.00 1.00 N ATOM 343 CA LYS A 23 -1.923 -9.739 -1.732 1.00 1.00 C ATOM 344 C LYS A 23 -1.613 -8.235 -1.708 1.00 1.00 C ATOM 345 O LYS A 23 -0.831 -7.800 -0.886 1.00 1.00 O ATOM 346 CB LYS A 23 -2.768 -10.098 -0.502 1.00 1.00 C ATOM 347 CG LYS A 23 -3.050 -11.619 -0.470 1.00 1.00 C ATOM 348 CD LYS A 23 -3.900 -11.997 0.764 1.00 1.00 C ATOM 349 CE LYS A 23 -3.143 -11.699 2.081 1.00 1.00 C ATOM 350 NZ LYS A 23 -1.850 -12.443 2.123 1.00 1.00 N ATOM 0 H LYS A 23 0.032 -10.211 -1.024 1.00 1.00 H new ATOM 0 HA LYS A 23 -2.471 -9.977 -2.643 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -2.245 -9.799 0.407 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -3.708 -9.547 -0.525 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -3.571 -11.915 -1.380 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -2.108 -12.167 -0.449 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -4.837 -11.441 0.747 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -4.157 -13.055 0.721 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -2.956 -10.628 2.165 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -3.760 -11.983 2.934 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -1.462 -12.411 3.088 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -2.010 -13.433 1.847 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -1.175 -12.004 1.464 1.00 1.00 H new ATOM 364 N ALA A 24 -2.225 -7.506 -2.611 1.00 1.00 N ATOM 365 CA ALA A 24 -2.036 -6.019 -2.710 1.00 1.00 C ATOM 366 C ALA A 24 -2.740 -5.355 -1.513 1.00 1.00 C ATOM 367 O ALA A 24 -3.770 -4.722 -1.649 1.00 1.00 O ATOM 368 CB ALA A 24 -2.632 -5.546 -4.051 1.00 1.00 C ATOM 0 H ALA A 24 -2.867 -7.890 -3.305 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.981 -5.745 -2.682 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -2.506 -4.467 -4.145 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -2.119 -6.044 -4.873 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -3.693 -5.792 -4.084 1.00 1.00 H new ATOM 374 N THR A 25 -2.145 -5.538 -0.366 1.00 1.00 N ATOM 375 CA THR A 25 -2.632 -5.012 0.908 1.00 1.00 C ATOM 376 C THR A 25 -1.644 -4.061 1.587 1.00 1.00 C ATOM 377 O THR A 25 -0.551 -3.829 1.117 1.00 1.00 O ATOM 378 CB THR A 25 -2.897 -6.235 1.745 1.00 1.00 C ATOM 379 OG1 THR A 25 -1.750 -7.069 1.606 1.00 1.00 O ATOM 380 CG2 THR A 25 -4.088 -7.057 1.239 1.00 1.00 C ATOM 0 H THR A 25 -1.281 -6.072 -0.275 1.00 1.00 H new ATOM 0 HA THR A 25 -3.523 -4.401 0.766 1.00 1.00 H new ATOM 0 HB THR A 25 -3.109 -5.914 2.765 1.00 1.00 H new ATOM 0 HG1 THR A 25 -1.151 -6.931 2.369 1.00 1.00 H new ATOM 0 HG21 THR A 25 -4.230 -7.926 1.882 1.00 1.00 H new ATOM 0 HG22 THR A 25 -4.988 -6.442 1.256 1.00 1.00 H new ATOM 0 HG23 THR A 25 -3.894 -7.389 0.219 1.00 1.00 H new ATOM 388 N GLY A 26 -2.096 -3.541 2.697 1.00 1.00 N ATOM 389 CA GLY A 26 -1.282 -2.596 3.512 1.00 1.00 C ATOM 390 C GLY A 26 -1.812 -1.193 3.408 1.00 1.00 C ATOM 391 O GLY A 26 -2.421 -0.829 2.424 1.00 1.00 O ATOM 0 H GLY A 26 -3.020 -3.738 3.081 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -1.287 -2.913 4.555 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -0.245 -2.622 3.176 1.00 1.00 H new ATOM 395 N LYS A 27 -1.551 -0.444 4.440 1.00 1.00 N ATOM 396 CA LYS A 27 -2.013 0.959 4.457 1.00 1.00 C ATOM 397 C LYS A 27 -0.827 1.855 4.777 1.00 1.00 C ATOM 398 O LYS A 27 0.289 1.414 4.914 1.00 1.00 O ATOM 399 CB LYS A 27 -3.134 1.089 5.528 1.00 1.00 C ATOM 400 CG LYS A 27 -4.286 2.016 5.043 1.00 1.00 C ATOM 401 CD LYS A 27 -4.992 1.473 3.759 1.00 1.00 C ATOM 402 CE LYS A 27 -5.519 0.037 3.953 1.00 1.00 C ATOM 403 NZ LYS A 27 -6.474 -0.015 5.095 1.00 1.00 N ATOM 0 H LYS A 27 -1.038 -0.746 5.268 1.00 1.00 H new ATOM 0 HA LYS A 27 -2.418 1.260 3.491 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -3.534 0.102 5.759 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -2.712 1.486 6.451 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -5.022 2.123 5.840 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -3.887 3.010 4.841 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -5.820 2.131 3.495 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -4.291 1.492 2.924 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -6.012 -0.302 3.042 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -4.686 -0.642 4.136 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -6.948 -0.941 5.110 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -5.957 0.123 5.987 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -7.185 0.736 4.987 1.00 1.00 H new ATOM 417 N CYS A 28 -1.173 3.108 4.878 1.00 1.00 N ATOM 418 CA CYS A 28 -0.211 4.201 5.189 1.00 1.00 C ATOM 419 C CYS A 28 -0.471 4.690 6.608 1.00 1.00 C ATOM 420 O CYS A 28 -1.472 5.315 6.903 1.00 1.00 O ATOM 421 CB CYS A 28 -0.431 5.309 4.212 1.00 1.00 C ATOM 422 SG CYS A 28 0.582 6.801 4.323 1.00 1.00 S ATOM 0 H CYS A 28 -2.132 3.432 4.751 1.00 1.00 H new ATOM 0 HA CYS A 28 0.818 3.850 5.116 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -0.297 4.896 3.212 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -1.474 5.615 4.293 1.00 1.00 H new ATOM 427 N THR A 29 0.466 4.357 7.428 1.00 1.00 N ATOM 428 CA THR A 29 0.411 4.735 8.880 1.00 1.00 C ATOM 429 C THR A 29 1.769 5.235 9.340 1.00 1.00 C ATOM 430 O THR A 29 2.781 4.590 9.153 1.00 1.00 O ATOM 431 CB THR A 29 0.002 3.520 9.689 1.00 1.00 C ATOM 432 OG1 THR A 29 -1.359 3.319 9.350 1.00 1.00 O ATOM 433 CG2 THR A 29 0.005 3.742 11.196 1.00 1.00 C ATOM 0 H THR A 29 1.295 3.825 7.161 1.00 1.00 H new ATOM 0 HA THR A 29 -0.318 5.533 9.024 1.00 1.00 H new ATOM 0 HB THR A 29 0.696 2.708 9.471 1.00 1.00 H new ATOM 0 HG1 THR A 29 -1.705 2.541 9.835 1.00 1.00 H new ATOM 0 HG21 THR A 29 -0.299 2.824 11.700 1.00 1.00 H new ATOM 0 HG22 THR A 29 1.008 4.019 11.521 1.00 1.00 H new ATOM 0 HG23 THR A 29 -0.692 4.542 11.447 1.00 1.00 H new ATOM 441 N ASN A 30 1.703 6.380 9.958 1.00 1.00 N ATOM 442 CA ASN A 30 2.901 7.098 10.503 1.00 1.00 C ATOM 443 C ASN A 30 3.953 7.190 9.368 1.00 1.00 C ATOM 444 O ASN A 30 5.139 7.024 9.561 1.00 1.00 O ATOM 445 CB ASN A 30 3.429 6.291 11.727 1.00 1.00 C ATOM 446 CG ASN A 30 4.420 7.124 12.558 1.00 1.00 C ATOM 447 OD1 ASN A 30 5.480 7.508 12.109 1.00 1.00 O ATOM 448 ND2 ASN A 30 4.105 7.426 13.788 1.00 1.00 N ATOM 0 H ASN A 30 0.825 6.875 10.117 1.00 1.00 H new ATOM 0 HA ASN A 30 2.666 8.108 10.837 1.00 1.00 H new ATOM 0 HB2 ASN A 30 2.591 5.987 12.354 1.00 1.00 H new ATOM 0 HB3 ASN A 30 3.917 5.379 11.382 1.00 1.00 H new ATOM 0 HD21 ASN A 30 4.746 7.978 14.358 1.00 1.00 H new ATOM 0 HD22 ASN A 30 3.218 7.110 14.179 1.00 1.00 H new ATOM 455 N GLY A 31 3.432 7.465 8.198 1.00 1.00 N ATOM 456 CA GLY A 31 4.249 7.595 6.962 1.00 1.00 C ATOM 457 C GLY A 31 4.993 6.310 6.557 1.00 1.00 C ATOM 458 O GLY A 31 5.867 6.370 5.713 1.00 1.00 O ATOM 0 H GLY A 31 2.433 7.609 8.049 1.00 1.00 H new ATOM 0 HA2 GLY A 31 3.599 7.899 6.141 1.00 1.00 H new ATOM 0 HA3 GLY A 31 4.977 8.393 7.104 1.00 1.00 H new ATOM 462 N ARG A 32 4.627 5.203 7.151 1.00 1.00 N ATOM 463 CA ARG A 32 5.256 3.875 6.866 1.00 1.00 C ATOM 464 C ARG A 32 4.148 2.868 6.594 1.00 1.00 C ATOM 465 O ARG A 32 3.017 3.074 6.972 1.00 1.00 O ATOM 466 CB ARG A 32 6.052 3.365 8.076 1.00 1.00 C ATOM 467 CG ARG A 32 7.030 4.434 8.596 1.00 1.00 C ATOM 468 CD ARG A 32 8.053 4.798 7.526 1.00 1.00 C ATOM 469 NE ARG A 32 8.808 5.991 7.989 1.00 1.00 N ATOM 470 CZ ARG A 32 8.713 7.101 7.311 1.00 1.00 C ATOM 471 NH1 ARG A 32 7.673 7.866 7.503 1.00 1.00 N ATOM 472 NH2 ARG A 32 9.657 7.409 6.464 1.00 1.00 N ATOM 0 H ARG A 32 3.887 5.164 7.851 1.00 1.00 H new ATOM 0 HA ARG A 32 5.927 3.989 6.014 1.00 1.00 H new ATOM 0 HB2 ARG A 32 5.364 3.081 8.872 1.00 1.00 H new ATOM 0 HB3 ARG A 32 6.605 2.468 7.798 1.00 1.00 H new ATOM 0 HG2 ARG A 32 6.477 5.325 8.895 1.00 1.00 H new ATOM 0 HG3 ARG A 32 7.542 4.064 9.484 1.00 1.00 H new ATOM 0 HD2 ARG A 32 8.732 3.964 7.350 1.00 1.00 H new ATOM 0 HD3 ARG A 32 7.554 5.008 6.580 1.00 1.00 H new ATOM 0 HE ARG A 32 9.392 5.943 8.824 1.00 1.00 H new ATOM 0 HH11 ARG A 32 6.954 7.591 8.173 1.00 1.00 H new ATOM 0 HH12 ARG A 32 7.579 8.739 6.983 1.00 1.00 H new ATOM 0 HH21 ARG A 32 10.454 6.785 6.340 1.00 1.00 H new ATOM 0 HH22 ARG A 32 9.597 8.274 5.926 1.00 1.00 H new ATOM 486 N CYS A 33 4.501 1.795 5.944 1.00 1.00 N ATOM 487 CA CYS A 33 3.463 0.771 5.647 1.00 1.00 C ATOM 488 C CYS A 33 3.006 -0.035 6.841 1.00 1.00 C ATOM 489 O CYS A 33 3.812 -0.396 7.676 1.00 1.00 O ATOM 490 CB CYS A 33 3.933 -0.260 4.668 1.00 1.00 C ATOM 491 SG CYS A 33 2.669 -1.332 3.955 1.00 1.00 S ATOM 0 H CYS A 33 5.442 1.585 5.612 1.00 1.00 H new ATOM 0 HA CYS A 33 2.648 1.384 5.261 1.00 1.00 H new ATOM 0 HB2 CYS A 33 4.445 0.252 3.853 1.00 1.00 H new ATOM 0 HB3 CYS A 33 4.673 -0.889 5.164 1.00 1.00 H new ATOM 496 N ASP A 34 1.731 -0.284 6.870 1.00 1.00 N ATOM 497 CA ASP A 34 1.128 -1.100 7.960 1.00 1.00 C ATOM 498 C ASP A 34 0.257 -2.154 7.254 1.00 1.00 C ATOM 499 O ASP A 34 -0.871 -1.870 6.909 1.00 1.00 O ATOM 500 CB ASP A 34 0.288 -0.212 8.917 1.00 1.00 C ATOM 501 CG ASP A 34 -0.760 0.599 8.186 1.00 1.00 C ATOM 502 OD1 ASP A 34 -0.332 1.491 7.480 1.00 1.00 O ATOM 503 OD2 ASP A 34 -1.923 0.290 8.371 1.00 1.00 O ATOM 0 H ASP A 34 1.066 0.049 6.172 1.00 1.00 H new ATOM 0 HA ASP A 34 1.889 -1.571 8.582 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -0.199 -0.844 9.660 1.00 1.00 H new ATOM 0 HB3 ASP A 34 0.952 0.462 9.458 1.00 1.00 H new ATOM 508 N CYS A 35 0.802 -3.336 7.027 1.00 1.00 N ATOM 509 CA CYS A 35 0.003 -4.406 6.339 1.00 1.00 C ATOM 510 C CYS A 35 -0.047 -5.680 7.214 1.00 1.00 C ATOM 511 O CYS A 35 -0.154 -6.757 6.652 1.00 1.00 O ATOM 512 CB CYS A 35 0.671 -4.676 4.949 1.00 1.00 C ATOM 513 SG CYS A 35 -0.280 -5.635 3.751 1.00 1.00 S ATOM 514 OXT CYS A 35 0.003 -5.501 8.421 1.00 1.00 O ATOM 0 H CYS A 35 1.753 -3.600 7.286 1.00 1.00 H new ATOM 0 HA CYS A 35 -1.029 -4.090 6.187 1.00 1.00 H new ATOM 0 HB2 CYS A 35 0.912 -3.714 4.497 1.00 1.00 H new ATOM 0 HB3 CYS A 35 1.615 -5.192 5.122 1.00 1.00 H new TER 519 CYS A 35