USER MOD reduce.3.24.130724 H: found=0, std=0, add=121, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 122 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 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.358 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -18:sc= 1.12 USER MOD Single : A 24 SER OG : rot -112:sc= 0.223 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N GLN A 4 6.897 7.366 -0.310 1.00 43.54 N ATOM 29 CA GLN A 4 8.084 8.141 -0.655 1.00 14.34 C ATOM 30 C GLN A 4 8.868 8.521 0.597 1.00 20.41 C ATOM 31 O GLN A 4 8.289 8.750 1.660 1.00 63.33 O ATOM 32 CB GLN A 4 7.689 9.402 -1.425 1.00 40.33 C ATOM 33 CG GLN A 4 6.953 9.116 -2.724 1.00 42.13 C ATOM 34 CD GLN A 4 6.199 10.323 -3.246 1.00 41.21 C ATOM 35 OE1 GLN A 4 6.748 11.422 -3.333 1.00 53.24 O ATOM 36 NE2 GLN A 4 4.934 10.125 -3.597 1.00 12.12 N ATOM 0 HA GLN A 4 8.721 7.522 -1.287 1.00 14.34 H new ATOM 0 HB2 GLN A 4 7.058 10.023 -0.789 1.00 40.33 H new ATOM 0 HB3 GLN A 4 8.587 9.979 -1.645 1.00 40.33 H new ATOM 0 HG2 GLN A 4 7.668 8.786 -3.477 1.00 42.13 H new ATOM 0 HG3 GLN A 4 6.253 8.295 -2.567 1.00 42.13 H new ATOM 0 HE21 GLN A 4 4.519 9.197 -3.508 1.00 12.12 H new ATOM 0 HE22 GLN A 4 4.377 10.901 -3.955 1.00 12.12 H new ATOM 45 N CYS A 5 10.189 8.585 0.465 1.00 74.02 N ATOM 46 CA CYS A 5 11.054 8.936 1.585 1.00 73.43 C ATOM 47 C CYS A 5 10.850 10.391 1.995 1.00 54.34 C ATOM 48 O CYS A 5 10.451 11.226 1.182 1.00 11.00 O ATOM 49 CB CYS A 5 12.520 8.698 1.218 1.00 52.45 C ATOM 50 SG CYS A 5 12.852 7.053 0.509 1.00 2.33 S ATOM 0 H CYS A 5 10.684 8.398 -0.407 1.00 74.02 H new ATOM 0 HA CYS A 5 10.790 8.299 2.429 1.00 73.43 H new ATOM 0 HB2 CYS A 5 12.833 9.460 0.504 1.00 52.45 H new ATOM 0 HB3 CYS A 5 13.132 8.827 2.110 1.00 52.45 H new ATOM 55 N TYR A 6 11.126 10.688 3.260 1.00 40.05 N ATOM 56 CA TYR A 6 10.971 12.042 3.778 1.00 20.24 C ATOM 57 C TYR A 6 12.330 12.690 4.025 1.00 61.32 C ATOM 58 O TYR A 6 13.136 12.189 4.810 1.00 53.21 O ATOM 59 CB TYR A 6 10.160 12.024 5.075 1.00 74.30 C ATOM 60 CG TYR A 6 8.745 11.520 4.897 1.00 23.42 C ATOM 61 CD1 TYR A 6 7.900 12.084 3.949 1.00 21.52 C ATOM 62 CD2 TYR A 6 8.254 10.481 5.677 1.00 34.44 C ATOM 63 CE1 TYR A 6 6.607 11.627 3.784 1.00 72.14 C ATOM 64 CE2 TYR A 6 6.962 10.017 5.518 1.00 63.53 C ATOM 65 CZ TYR A 6 6.143 10.593 4.570 1.00 72.13 C ATOM 66 OH TYR A 6 4.855 10.134 4.409 1.00 44.55 O ATOM 0 H TYR A 6 11.458 10.010 3.945 1.00 40.05 H new ATOM 0 HA TYR A 6 10.438 12.631 3.031 1.00 20.24 H new ATOM 0 HB2 TYR A 6 10.671 11.396 5.805 1.00 74.30 H new ATOM 0 HB3 TYR A 6 10.129 13.032 5.488 1.00 74.30 H new ATOM 0 HD1 TYR A 6 8.260 12.893 3.331 1.00 21.52 H new ATOM 0 HD2 TYR A 6 8.893 10.028 6.421 1.00 34.44 H new ATOM 0 HE1 TYR A 6 5.963 12.077 3.043 1.00 72.14 H new ATOM 0 HE2 TYR A 6 6.596 9.208 6.133 1.00 63.53 H new ATOM 0 HH TYR A 6 4.687 9.402 5.039 1.00 44.55 H new ATOM 166 N LEU A 14 13.409 0.786 7.642 1.00 54.32 N ATOM 167 CA LEU A 14 13.295 0.718 6.189 1.00 31.40 C ATOM 168 C LEU A 14 14.468 1.423 5.517 1.00 44.20 C ATOM 169 O LEU A 14 15.295 2.048 6.183 1.00 61.54 O ATOM 170 CB LEU A 14 11.977 1.345 5.731 1.00 43.23 C ATOM 171 CG LEU A 14 10.717 0.515 5.977 1.00 10.22 C ATOM 172 CD1 LEU A 14 9.479 1.281 5.537 1.00 10.14 C ATOM 173 CD2 LEU A 14 10.807 -0.819 5.251 1.00 33.23 C ATOM 0 HA LEU A 14 13.311 -0.332 5.897 1.00 31.40 H new ATOM 0 HB2 LEU A 14 11.860 2.304 6.235 1.00 43.23 H new ATOM 0 HB3 LEU A 14 12.048 1.552 4.663 1.00 43.23 H new ATOM 0 HG LEU A 14 10.637 0.319 7.046 1.00 10.22 H new ATOM 0 HD11 LEU A 14 8.592 0.675 5.720 1.00 10.14 H new ATOM 0 HD12 LEU A 14 9.406 2.210 6.102 1.00 10.14 H new ATOM 0 HD13 LEU A 14 9.551 1.508 4.473 1.00 10.14 H new ATOM 0 HD21 LEU A 14 9.902 -1.397 5.437 1.00 33.23 H new ATOM 0 HD22 LEU A 14 10.912 -0.644 4.180 1.00 33.23 H new ATOM 0 HD23 LEU A 14 11.672 -1.373 5.615 1.00 33.23 H new ATOM 185 N CYS A 15 14.534 1.322 4.194 1.00 71.33 N ATOM 186 CA CYS A 15 15.604 1.951 3.430 1.00 5.10 C ATOM 187 C CYS A 15 15.044 2.704 2.227 1.00 1.51 C ATOM 188 O CYS A 15 14.035 2.305 1.645 1.00 22.11 O ATOM 189 CB CYS A 15 16.612 0.899 2.963 1.00 44.23 C ATOM 190 SG CYS A 15 17.588 0.154 4.309 1.00 51.42 S ATOM 0 H CYS A 15 13.858 0.810 3.628 1.00 71.33 H new ATOM 0 HA CYS A 15 16.109 2.665 4.080 1.00 5.10 H new ATOM 0 HB2 CYS A 15 16.078 0.109 2.436 1.00 44.23 H new ATOM 0 HB3 CYS A 15 17.293 1.357 2.246 1.00 44.23 H new ATOM 195 N CYS A 16 15.706 3.797 1.859 1.00 32.45 N ATOM 196 CA CYS A 16 15.275 4.607 0.727 1.00 44.04 C ATOM 197 C CYS A 16 15.778 4.016 -0.587 1.00 60.33 C ATOM 198 O CYS A 16 16.975 3.784 -0.758 1.00 51.22 O ATOM 199 CB CYS A 16 15.781 6.043 0.879 1.00 52.13 C ATOM 200 SG CYS A 16 14.835 7.270 -0.080 1.00 63.45 S ATOM 0 H CYS A 16 16.543 4.141 2.329 1.00 32.45 H new ATOM 0 HA CYS A 16 14.185 4.612 0.710 1.00 44.04 H new ATOM 0 HB2 CYS A 16 15.749 6.318 1.933 1.00 52.13 H new ATOM 0 HB3 CYS A 16 16.826 6.083 0.570 1.00 52.13 H new ATOM 205 N SER A 17 14.855 3.774 -1.513 1.00 11.24 N ATOM 206 CA SER A 17 15.203 3.207 -2.810 1.00 61.20 C ATOM 207 C SER A 17 15.700 4.291 -3.761 1.00 64.03 C ATOM 208 O SER A 17 15.593 5.483 -3.474 1.00 2.34 O ATOM 209 CB SER A 17 13.995 2.493 -3.419 1.00 53.11 C ATOM 210 OG SER A 17 13.114 3.417 -4.036 1.00 24.43 O ATOM 0 H SER A 17 13.860 3.962 -1.388 1.00 11.24 H new ATOM 0 HA SER A 17 16.005 2.484 -2.659 1.00 61.20 H new ATOM 0 HB2 SER A 17 14.333 1.762 -4.153 1.00 53.11 H new ATOM 0 HB3 SER A 17 13.464 1.943 -2.642 1.00 53.11 H new ATOM 0 HG SER A 17 12.351 2.936 -4.419 1.00 24.43 H new ATOM 216 N LYS A 18 16.245 3.868 -4.897 1.00 4.21 N ATOM 217 CA LYS A 18 16.759 4.801 -5.893 1.00 61.53 C ATOM 218 C LYS A 18 15.621 5.566 -6.560 1.00 53.01 C ATOM 219 O LYS A 18 15.853 6.524 -7.298 1.00 75.01 O ATOM 220 CB LYS A 18 17.573 4.051 -6.951 1.00 54.42 C ATOM 221 CG LYS A 18 19.022 3.828 -6.558 1.00 25.33 C ATOM 222 CD LYS A 18 19.744 2.947 -7.564 1.00 33.42 C ATOM 223 CE LYS A 18 19.610 1.473 -7.211 1.00 52.10 C ATOM 224 NZ LYS A 18 20.917 0.875 -6.822 1.00 70.24 N ATOM 0 H LYS A 18 16.342 2.885 -5.151 1.00 4.21 H new ATOM 0 HA LYS A 18 17.406 5.517 -5.385 1.00 61.53 H new ATOM 0 HB2 LYS A 18 17.104 3.085 -7.141 1.00 54.42 H new ATOM 0 HB3 LYS A 18 17.541 4.610 -7.886 1.00 54.42 H new ATOM 0 HG2 LYS A 18 19.531 4.789 -6.483 1.00 25.33 H new ATOM 0 HG3 LYS A 18 19.065 3.366 -5.572 1.00 25.33 H new ATOM 0 HD2 LYS A 18 19.338 3.122 -8.560 1.00 33.42 H new ATOM 0 HD3 LYS A 18 20.799 3.220 -7.597 1.00 33.42 H new ATOM 0 HE2 LYS A 18 18.900 1.359 -6.392 1.00 52.10 H new ATOM 0 HE3 LYS A 18 19.202 0.931 -8.064 1.00 52.10 H new ATOM 0 HZ1 LYS A 18 20.783 -0.130 -6.589 1.00 70.24 H new ATOM 0 HZ2 LYS A 18 21.587 0.961 -7.613 1.00 70.24 H new ATOM 0 HZ3 LYS A 18 21.295 1.376 -5.992 1.00 70.24 H new ATOM 238 N TYR A 19 14.391 5.139 -6.295 1.00 24.53 N ATOM 239 CA TYR A 19 13.217 5.783 -6.870 1.00 40.41 C ATOM 240 C TYR A 19 12.560 6.719 -5.860 1.00 51.43 C ATOM 241 O TYR A 19 11.503 7.291 -6.123 1.00 51.51 O ATOM 242 CB TYR A 19 12.210 4.732 -7.338 1.00 73.22 C ATOM 243 CG TYR A 19 12.450 4.250 -8.751 1.00 52.11 C ATOM 244 CD1 TYR A 19 11.893 4.915 -9.837 1.00 1.33 C ATOM 245 CD2 TYR A 19 13.232 3.129 -9.001 1.00 2.53 C ATOM 246 CE1 TYR A 19 12.109 4.479 -11.129 1.00 60.54 C ATOM 247 CE2 TYR A 19 13.455 2.686 -10.290 1.00 52.51 C ATOM 248 CZ TYR A 19 12.891 3.364 -11.351 1.00 11.00 C ATOM 249 OH TYR A 19 13.109 2.925 -12.637 1.00 0.02 O ATOM 0 H TYR A 19 14.182 4.349 -5.685 1.00 24.53 H new ATOM 0 HA TYR A 19 13.541 6.373 -7.728 1.00 40.41 H new ATOM 0 HB2 TYR A 19 12.247 3.879 -6.661 1.00 73.22 H new ATOM 0 HB3 TYR A 19 11.205 5.149 -7.271 1.00 73.22 H new ATOM 0 HD1 TYR A 19 11.280 5.788 -9.667 1.00 1.33 H new ATOM 0 HD2 TYR A 19 13.673 2.595 -8.173 1.00 2.53 H new ATOM 0 HE1 TYR A 19 11.668 5.008 -11.961 1.00 60.54 H new ATOM 0 HE2 TYR A 19 14.067 1.814 -10.466 1.00 52.51 H new ATOM 0 HH TYR A 19 13.681 2.130 -12.619 1.00 0.02 H new ATOM 259 N GLY A 20 13.196 6.871 -4.702 1.00 73.33 N ATOM 260 CA GLY A 20 12.660 7.738 -3.670 1.00 12.24 C ATOM 261 C GLY A 20 11.593 7.057 -2.836 1.00 73.22 C ATOM 262 O GLY A 20 10.912 7.702 -2.038 1.00 62.03 O ATOM 0 H GLY A 20 14.073 6.409 -4.461 1.00 73.33 H new ATOM 0 HA2 GLY A 20 13.470 8.067 -3.019 1.00 12.24 H new ATOM 0 HA3 GLY A 20 12.240 8.631 -4.132 1.00 12.24 H new ATOM 266 N TYR A 21 11.444 5.750 -3.022 1.00 25.23 N ATOM 267 CA TYR A 21 10.449 4.981 -2.284 1.00 4.15 C ATOM 268 C TYR A 21 11.113 4.103 -1.227 1.00 1.31 C ATOM 269 O TYR A 21 12.141 3.474 -1.481 1.00 53.31 O ATOM 270 CB TYR A 21 9.630 4.114 -3.241 1.00 44.45 C ATOM 271 CG TYR A 21 8.908 4.907 -4.307 1.00 75.22 C ATOM 272 CD1 TYR A 21 7.894 5.796 -3.972 1.00 42.43 C ATOM 273 CD2 TYR A 21 9.239 4.767 -5.649 1.00 71.54 C ATOM 274 CE1 TYR A 21 7.231 6.522 -4.943 1.00 32.41 C ATOM 275 CE2 TYR A 21 8.582 5.489 -6.627 1.00 32.24 C ATOM 276 CZ TYR A 21 7.578 6.365 -6.268 1.00 62.44 C ATOM 277 OH TYR A 21 6.921 7.086 -7.238 1.00 53.41 O ATOM 0 H TYR A 21 12.000 5.201 -3.678 1.00 25.23 H new ATOM 0 HA TYR A 21 9.784 5.684 -1.782 1.00 4.15 H new ATOM 0 HB2 TYR A 21 10.291 3.393 -3.721 1.00 44.45 H new ATOM 0 HB3 TYR A 21 8.900 3.544 -2.667 1.00 44.45 H new ATOM 0 HD1 TYR A 21 7.619 5.922 -2.935 1.00 42.43 H new ATOM 0 HD2 TYR A 21 10.024 4.082 -5.933 1.00 71.54 H new ATOM 0 HE1 TYR A 21 6.445 7.209 -4.665 1.00 32.41 H new ATOM 0 HE2 TYR A 21 8.853 5.368 -7.666 1.00 32.24 H new ATOM 0 HH TYR A 21 7.287 6.859 -8.118 1.00 53.41 H new ATOM 287 N CYS A 22 10.518 4.065 -0.040 1.00 15.34 N ATOM 288 CA CYS A 22 11.048 3.265 1.058 1.00 44.45 C ATOM 289 C CYS A 22 10.733 1.786 0.854 1.00 4.23 C ATOM 290 O CYS A 22 9.788 1.433 0.151 1.00 70.12 O ATOM 291 CB CYS A 22 10.470 3.743 2.391 1.00 73.20 C ATOM 292 SG CYS A 22 10.699 5.522 2.706 1.00 10.35 S ATOM 0 H CYS A 22 9.667 4.580 0.187 1.00 15.34 H new ATOM 0 HA CYS A 22 12.131 3.389 1.075 1.00 44.45 H new ATOM 0 HB2 CYS A 22 9.404 3.515 2.415 1.00 73.20 H new ATOM 0 HB3 CYS A 22 10.935 3.179 3.199 1.00 73.20 H new ATOM 0 HG CYS A 22 11.635 5.983 1.930 1.00 10.35 H new ATOM 297 N GLY A 23 11.533 0.925 1.476 1.00 4.44 N ATOM 298 CA GLY A 23 11.324 -0.505 1.352 1.00 60.23 C ATOM 299 C GLY A 23 12.441 -1.312 1.983 1.00 43.11 C ATOM 300 O GLY A 23 13.156 -0.819 2.855 1.00 10.44 O ATOM 0 H GLY A 23 12.322 1.193 2.064 1.00 4.44 H new ATOM 0 HA2 GLY A 23 10.377 -0.773 1.821 1.00 60.23 H new ATOM 0 HA3 GLY A 23 11.242 -0.767 0.297 1.00 60.23 H new ATOM 304 N SER A 24 12.592 -2.557 1.543 1.00 71.03 N ATOM 305 CA SER A 24 13.627 -3.436 2.074 1.00 12.05 C ATOM 306 C SER A 24 14.403 -4.106 0.945 1.00 22.31 C ATOM 307 O SER A 24 14.233 -3.769 -0.226 1.00 22.13 O ATOM 308 CB SER A 24 13.006 -4.499 2.983 1.00 74.04 C ATOM 309 OG SER A 24 14.002 -5.188 3.717 1.00 5.13 O ATOM 0 H SER A 24 12.010 -2.980 0.820 1.00 71.03 H new ATOM 0 HA SER A 24 14.320 -2.829 2.657 1.00 12.05 H new ATOM 0 HB2 SER A 24 12.304 -4.028 3.671 1.00 74.04 H new ATOM 0 HB3 SER A 24 12.437 -5.208 2.382 1.00 74.04 H new ATOM 0 HG SER A 24 14.051 -6.117 3.409 1.00 5.13 H new ATOM 315 N GLY A 25 15.257 -5.059 1.307 1.00 64.13 N ATOM 316 CA GLY A 25 16.048 -5.762 0.314 1.00 70.44 C ATOM 317 C GLY A 25 17.388 -5.099 0.063 1.00 54.11 C ATOM 318 O GLY A 25 17.627 -4.015 0.592 1.00 42.52 O ATOM 0 H GLY A 25 15.415 -5.356 2.270 1.00 64.13 H new ATOM 0 HA2 GLY A 25 16.210 -6.788 0.644 1.00 70.44 H new ATOM 0 HA3 GLY A 25 15.490 -5.812 -0.621 1.00 70.44 H new ATOM 322 N PRO A 26 18.251 -5.768 -0.748 1.00 14.22 N ATOM 323 CA PRO A 26 19.563 -5.225 -1.054 1.00 51.35 C ATOM 324 C PRO A 26 19.459 -4.073 -2.057 1.00 23.41 C ATOM 325 O PRO A 26 20.335 -3.214 -2.156 1.00 74.23 O ATOM 326 CB PRO A 26 20.363 -6.404 -1.585 1.00 14.44 C ATOM 327 CG PRO A 26 19.340 -7.452 -1.991 1.00 53.14 C ATOM 328 CD PRO A 26 18.001 -7.054 -1.392 1.00 31.13 C ATOM 0 HA PRO A 26 20.052 -4.789 -0.183 1.00 51.35 H new ATOM 0 HB2 PRO A 26 20.977 -6.108 -2.435 1.00 14.44 H new ATOM 0 HB3 PRO A 26 21.039 -6.792 -0.823 1.00 14.44 H new ATOM 0 HG2 PRO A 26 19.269 -7.515 -3.077 1.00 53.14 H new ATOM 0 HG3 PRO A 26 19.640 -8.437 -1.634 1.00 53.14 H new ATOM 0 HD2 PRO A 26 17.233 -6.969 -2.161 1.00 31.13 H new ATOM 0 HD3 PRO A 26 17.652 -7.796 -0.673 1.00 31.13 H new ATOM 336 N ALA A 27 18.360 -4.076 -2.803 1.00 52.04 N ATOM 337 CA ALA A 27 18.113 -3.045 -3.803 1.00 51.53 C ATOM 338 C ALA A 27 17.591 -1.766 -3.156 1.00 61.20 C ATOM 339 O ALA A 27 17.397 -0.753 -3.828 1.00 72.12 O ATOM 340 CB ALA A 27 17.130 -3.548 -4.849 1.00 75.14 C ATOM 0 H ALA A 27 17.626 -4.781 -2.734 1.00 52.04 H new ATOM 0 HA ALA A 27 19.060 -2.814 -4.291 1.00 51.53 H new ATOM 0 HB1 ALA A 27 16.955 -2.767 -5.589 1.00 75.14 H new ATOM 0 HB2 ALA A 27 17.542 -4.429 -5.341 1.00 75.14 H new ATOM 0 HB3 ALA A 27 16.188 -3.809 -4.367 1.00 75.14 H new ATOM 346 N TYR A 28 17.366 -1.821 -1.848 1.00 55.52 N ATOM 347 CA TYR A 28 16.863 -0.667 -1.111 1.00 31.43 C ATOM 348 C TYR A 28 17.872 -0.209 -0.062 1.00 60.32 C ATOM 349 O TYR A 28 18.076 0.988 0.139 1.00 41.31 O ATOM 350 CB TYR A 28 15.531 -1.006 -0.439 1.00 60.21 C ATOM 351 CG TYR A 28 14.363 -1.052 -1.399 1.00 4.14 C ATOM 352 CD1 TYR A 28 14.349 -1.943 -2.465 1.00 1.33 C ATOM 353 CD2 TYR A 28 13.274 -0.205 -1.238 1.00 52.43 C ATOM 354 CE1 TYR A 28 13.285 -1.987 -3.344 1.00 73.21 C ATOM 355 CE2 TYR A 28 12.204 -0.243 -2.112 1.00 63.20 C ATOM 356 CZ TYR A 28 12.215 -1.136 -3.164 1.00 13.35 C ATOM 357 OH TYR A 28 11.152 -1.178 -4.037 1.00 11.05 O ATOM 0 H TYR A 28 17.524 -2.651 -1.277 1.00 55.52 H new ATOM 0 HA TYR A 28 16.708 0.146 -1.820 1.00 31.43 H new ATOM 0 HB2 TYR A 28 15.620 -1.972 0.058 1.00 60.21 H new ATOM 0 HB3 TYR A 28 15.325 -0.267 0.335 1.00 60.21 H new ATOM 0 HD1 TYR A 28 15.184 -2.612 -2.609 1.00 1.33 H new ATOM 0 HD2 TYR A 28 13.263 0.495 -0.416 1.00 52.43 H new ATOM 0 HE1 TYR A 28 13.291 -2.685 -4.168 1.00 73.21 H new ATOM 0 HE2 TYR A 28 11.365 0.422 -1.973 1.00 63.20 H new ATOM 0 HH TYR A 28 10.482 -0.515 -3.769 1.00 11.05 H new ATOM 367 N CYS A 29 18.502 -1.172 0.604 1.00 53.45 N ATOM 368 CA CYS A 29 19.490 -0.870 1.632 1.00 63.03 C ATOM 369 C CYS A 29 20.901 -0.886 1.051 1.00 23.20 C ATOM 370 O CYS A 29 21.811 -0.253 1.585 1.00 51.44 O ATOM 371 CB CYS A 29 19.387 -1.877 2.779 1.00 64.33 C ATOM 372 SG CYS A 29 17.855 -1.739 3.754 1.00 22.14 S ATOM 0 H CYS A 29 18.345 -2.168 0.450 1.00 53.45 H new ATOM 0 HA CYS A 29 19.285 0.129 2.016 1.00 63.03 H new ATOM 0 HB2 CYS A 29 19.455 -2.885 2.370 1.00 64.33 H new ATOM 0 HB3 CYS A 29 20.241 -1.744 3.443 1.00 64.33 H new ATOM 377 N GLY A 30 21.075 -1.616 -0.047 1.00 4.11 N ATOM 378 CA GLY A 30 22.377 -1.701 -0.682 1.00 63.22 C ATOM 379 C GLY A 30 22.672 -0.504 -1.563 1.00 40.45 C ATOM 380 O GLY A 30 23.300 -0.637 -2.614 1.00 21.04 O ATOM 0 H GLY A 30 20.338 -2.150 -0.508 1.00 4.11 H new ATOM 0 HA2 GLY A 30 23.147 -1.782 0.085 1.00 63.22 H new ATOM 0 HA3 GLY A 30 22.427 -2.610 -1.281 1.00 63.22 H new