USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 369 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 15:sc= -1.06! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.373 K(o=-0.37,f=-1.3) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 150:sc= -0.0108 USER MOD Single : A 29 ASN : amide:sc= -3.01 K(o=-3,f=-6.8!) USER MOD Single : A 30 SER OG : rot -71:sc= 1.26 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.28! K(o=-2.3!,f=-0.095) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc=-0.00441 K(o=-0.0044,f=-0.84) USER MOD Single : A 48 ASN : amide:sc= 0.698 K(o=0.7,f=-0.57!) USER MOD Single : A 49 ASN : amide:sc= -1.16 K(o=-1.2,f=-5.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0249 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.077 K(o=0.077,f=-5.3!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 112:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 9 5.318 10.025 -18.395 1.00 63.02 N ATOM 135 CA TYR A 9 5.963 11.236 -18.758 1.00 62.21 C ATOM 136 C TYR A 9 7.332 10.972 -19.268 1.00 55.43 C ATOM 137 O TYR A 9 7.771 11.654 -20.154 1.00 42.02 O ATOM 138 CB TYR A 9 6.053 12.095 -17.525 1.00 64.43 C ATOM 139 CG TYR A 9 4.728 12.574 -17.045 1.00 21.00 C ATOM 140 CD1 TYR A 9 3.749 12.879 -17.963 1.00 73.31 C ATOM 141 CD2 TYR A 9 4.459 12.745 -15.699 1.00 52.43 C ATOM 142 CE1 TYR A 9 2.515 13.349 -17.559 1.00 44.44 C ATOM 143 CE2 TYR A 9 3.237 13.219 -15.279 1.00 4.52 C ATOM 144 CZ TYR A 9 2.266 13.522 -16.207 1.00 24.20 C ATOM 145 OH TYR A 9 1.042 14.014 -15.779 1.00 45.21 O ATOM 0 HA TYR A 9 5.395 11.732 -19.545 1.00 62.21 H new ATOM 0 HB2 TYR A 9 6.537 11.528 -16.730 1.00 64.43 H new ATOM 0 HB3 TYR A 9 6.689 12.955 -17.735 1.00 64.43 H new ATOM 0 HD1 TYR A 9 3.949 12.749 -19.016 1.00 73.31 H new ATOM 0 HD2 TYR A 9 5.217 12.504 -14.969 1.00 52.43 H new ATOM 0 HE1 TYR A 9 1.753 13.579 -18.289 1.00 44.44 H new ATOM 0 HE2 TYR A 9 3.040 13.353 -14.225 1.00 4.52 H new ATOM 0 HH TYR A 9 1.036 14.071 -14.801 1.00 45.21 H new ATOM 155 N CYS A 10 7.974 9.918 -18.691 1.00 34.52 N ATOM 156 CA CYS A 10 9.292 9.522 -19.113 1.00 40.53 C ATOM 157 C CYS A 10 9.310 9.469 -20.608 1.00 43.02 C ATOM 158 O CYS A 10 10.100 10.126 -21.243 1.00 45.42 O ATOM 159 CB CYS A 10 9.650 8.095 -18.648 1.00 74.01 C ATOM 160 SG CYS A 10 9.807 7.846 -16.864 1.00 5.34 S ATOM 0 H CYS A 10 7.580 9.350 -17.941 1.00 34.52 H new ATOM 0 HA CYS A 10 9.995 10.239 -18.689 1.00 40.53 H new ATOM 0 HB2 CYS A 10 8.887 7.412 -19.022 1.00 74.01 H new ATOM 0 HB3 CYS A 10 10.591 7.809 -19.117 1.00 74.01 H new ATOM 165 N ASN A 11 8.298 8.870 -21.178 1.00 45.00 N ATOM 166 CA ASN A 11 8.371 8.549 -22.628 1.00 4.45 C ATOM 167 C ASN A 11 7.869 9.674 -23.525 1.00 11.35 C ATOM 168 O ASN A 11 7.823 9.514 -24.746 1.00 43.45 O ATOM 169 CB ASN A 11 7.652 7.295 -22.989 1.00 44.13 C ATOM 170 CG ASN A 11 8.095 6.066 -22.218 1.00 41.33 C ATOM 171 OD1 ASN A 11 7.591 5.781 -21.117 1.00 44.41 O ATOM 172 ND2 ASN A 11 8.968 5.298 -22.806 1.00 23.14 N ATOM 0 H ASN A 11 7.436 8.593 -20.708 1.00 45.00 H new ATOM 0 HA ASN A 11 9.437 8.410 -22.807 1.00 4.45 H new ATOM 0 HB2 ASN A 11 6.585 7.444 -22.826 1.00 44.13 H new ATOM 0 HB3 ASN A 11 7.788 7.108 -24.054 1.00 44.13 H new ATOM 0 HD21 ASN A 11 9.261 4.427 -22.363 1.00 23.14 H new ATOM 0 HD22 ASN A 11 9.358 5.568 -23.709 1.00 23.14 H new ATOM 179 N LEU A 12 7.477 10.777 -22.954 1.00 33.24 N ATOM 180 CA LEU A 12 6.885 11.873 -23.723 1.00 55.00 C ATOM 181 C LEU A 12 7.940 12.760 -24.425 1.00 74.34 C ATOM 182 O LEU A 12 8.998 13.046 -23.881 1.00 63.15 O ATOM 183 CB LEU A 12 5.996 12.730 -22.824 1.00 35.23 C ATOM 184 CG LEU A 12 4.739 12.070 -22.274 1.00 20.23 C ATOM 185 CD1 LEU A 12 3.972 13.052 -21.415 1.00 41.30 C ATOM 186 CD2 LEU A 12 3.865 11.580 -23.408 1.00 52.51 C ATOM 0 H LEU A 12 7.551 10.957 -21.953 1.00 33.24 H new ATOM 0 HA LEU A 12 6.285 11.414 -24.508 1.00 55.00 H new ATOM 0 HB2 LEU A 12 6.596 13.074 -21.981 1.00 35.23 H new ATOM 0 HB3 LEU A 12 5.697 13.615 -23.385 1.00 35.23 H new ATOM 0 HG LEU A 12 5.030 11.216 -21.663 1.00 20.23 H new ATOM 0 HD11 LEU A 12 3.074 12.571 -21.026 1.00 41.30 H new ATOM 0 HD12 LEU A 12 4.599 13.376 -20.585 1.00 41.30 H new ATOM 0 HD13 LEU A 12 3.689 13.917 -22.015 1.00 41.30 H new ATOM 0 HD21 LEU A 12 2.970 11.110 -23.001 1.00 52.51 H new ATOM 0 HD22 LEU A 12 3.578 12.423 -24.037 1.00 52.51 H new ATOM 0 HD23 LEU A 12 4.417 10.853 -24.005 1.00 52.51 H new ATOM 198 N PRO A 13 7.662 13.172 -25.672 1.00 41.25 N ATOM 199 CA PRO A 13 8.529 14.093 -26.424 1.00 21.42 C ATOM 200 C PRO A 13 8.425 15.534 -25.880 1.00 2.02 C ATOM 201 O PRO A 13 7.384 15.941 -25.365 1.00 53.00 O ATOM 202 CB PRO A 13 7.962 14.028 -27.857 1.00 13.22 C ATOM 203 CG PRO A 13 7.037 12.857 -27.866 1.00 33.34 C ATOM 204 CD PRO A 13 6.512 12.744 -26.474 1.00 72.13 C ATOM 0 HA PRO A 13 9.582 13.820 -26.357 1.00 21.42 H new ATOM 0 HB2 PRO A 13 7.434 14.947 -28.113 1.00 13.22 H new ATOM 0 HB3 PRO A 13 8.760 13.904 -28.590 1.00 13.22 H new ATOM 0 HG2 PRO A 13 6.226 13.005 -28.579 1.00 33.34 H new ATOM 0 HG3 PRO A 13 7.560 11.948 -28.162 1.00 33.34 H new ATOM 0 HD2 PRO A 13 5.644 13.383 -26.314 1.00 72.13 H new ATOM 0 HD3 PRO A 13 6.206 11.725 -26.236 1.00 72.13 H new ATOM 212 N ALA A 14 9.525 16.268 -25.978 1.00 43.00 N ATOM 213 CA ALA A 14 9.617 17.650 -25.494 1.00 42.45 C ATOM 214 C ALA A 14 8.746 18.619 -26.318 1.00 33.41 C ATOM 215 O ALA A 14 8.723 18.519 -27.554 1.00 42.30 O ATOM 216 CB ALA A 14 11.059 18.089 -25.540 1.00 63.13 C ATOM 0 H ALA A 14 10.388 15.924 -26.398 1.00 43.00 H new ATOM 0 HA ALA A 14 9.241 17.675 -24.471 1.00 42.45 H new ATOM 0 HB1 ALA A 14 11.138 19.115 -25.182 1.00 63.13 H new ATOM 0 HB2 ALA A 14 11.659 17.436 -24.906 1.00 63.13 H new ATOM 0 HB3 ALA A 14 11.424 18.033 -26.566 1.00 63.13 H new ATOM 222 N ASP A 15 8.101 19.577 -25.656 1.00 44.35 N ATOM 223 CA ASP A 15 7.390 20.684 -26.301 1.00 75.33 C ATOM 224 C ASP A 15 7.746 21.990 -25.632 1.00 71.31 C ATOM 225 O ASP A 15 7.551 22.169 -24.440 1.00 14.33 O ATOM 226 CB ASP A 15 5.864 20.519 -26.441 1.00 63.13 C ATOM 227 CG ASP A 15 5.437 19.439 -27.404 1.00 63.02 C ATOM 228 OD1 ASP A 15 5.262 18.266 -27.020 1.00 41.21 O ATOM 229 OD2 ASP A 15 5.246 19.750 -28.603 1.00 20.03 O ATOM 0 H ASP A 15 8.056 19.608 -24.637 1.00 44.35 H new ATOM 0 HA ASP A 15 7.740 20.681 -27.333 1.00 75.33 H new ATOM 0 HB2 ASP A 15 5.443 20.300 -25.460 1.00 63.13 H new ATOM 0 HB3 ASP A 15 5.437 21.468 -26.766 1.00 63.13 H new ATOM 234 N SER A 16 8.352 22.859 -26.376 1.00 22.13 N ATOM 235 CA SER A 16 8.929 24.035 -25.811 1.00 31.00 C ATOM 236 C SER A 16 7.962 25.248 -25.669 1.00 1.22 C ATOM 237 O SER A 16 8.084 26.036 -24.715 1.00 73.31 O ATOM 238 CB SER A 16 10.214 24.391 -26.527 1.00 13.41 C ATOM 239 OG SER A 16 10.039 24.525 -27.936 1.00 20.42 O ATOM 0 H SER A 16 8.460 22.774 -27.387 1.00 22.13 H new ATOM 0 HA SER A 16 9.163 23.783 -24.777 1.00 31.00 H new ATOM 0 HB2 SER A 16 10.604 25.325 -26.123 1.00 13.41 H new ATOM 0 HB3 SER A 16 10.961 23.622 -26.329 1.00 13.41 H new ATOM 0 HG SER A 16 10.896 24.757 -28.351 1.00 20.42 H new ATOM 245 N GLY A 17 6.950 25.334 -26.530 1.00 50.43 N ATOM 246 CA GLY A 17 6.078 26.509 -26.523 1.00 64.50 C ATOM 247 C GLY A 17 6.728 27.693 -27.246 1.00 65.21 C ATOM 248 O GLY A 17 7.760 27.591 -27.892 1.00 1.52 O ATOM 0 H GLY A 17 6.716 24.625 -27.225 1.00 50.43 H new ATOM 0 HA2 GLY A 17 5.131 26.264 -27.003 1.00 64.50 H new ATOM 0 HA3 GLY A 17 5.851 26.789 -25.494 1.00 64.50 H new ATOM 252 N SER A 18 6.044 28.813 -27.075 1.00 13.14 N ATOM 253 CA SER A 18 6.412 30.013 -27.880 1.00 74.41 C ATOM 254 C SER A 18 7.413 30.875 -27.105 1.00 44.11 C ATOM 255 O SER A 18 7.837 31.973 -27.502 1.00 64.41 O ATOM 256 CB SER A 18 5.158 30.781 -28.275 1.00 14.23 C ATOM 257 OG SER A 18 4.373 31.105 -27.124 1.00 44.45 O ATOM 0 H SER A 18 5.267 28.937 -26.426 1.00 13.14 H new ATOM 0 HA SER A 18 6.902 29.705 -28.804 1.00 74.41 H new ATOM 0 HB2 SER A 18 5.437 31.695 -28.799 1.00 14.23 H new ATOM 0 HB3 SER A 18 4.565 30.185 -28.968 1.00 14.23 H new ATOM 0 HG SER A 18 3.574 31.599 -27.402 1.00 44.45 H new ATOM 263 N GLY A 19 7.734 30.304 -26.018 1.00 1.01 N ATOM 264 CA GLY A 19 8.823 30.815 -25.277 1.00 33.24 C ATOM 265 C GLY A 19 8.485 31.895 -24.338 1.00 11.11 C ATOM 266 O GLY A 19 7.635 32.747 -24.600 1.00 23.45 O ATOM 0 H GLY A 19 7.268 29.490 -25.618 1.00 1.01 H new ATOM 0 HA2 GLY A 19 9.278 29.997 -24.718 1.00 33.24 H new ATOM 0 HA3 GLY A 19 9.576 31.183 -25.974 1.00 33.24 H new ATOM 270 N THR A 20 9.076 31.791 -23.217 1.00 30.33 N ATOM 271 CA THR A 20 9.068 32.727 -22.172 1.00 43.12 C ATOM 272 C THR A 20 10.319 32.536 -21.316 1.00 71.30 C ATOM 273 O THR A 20 11.102 33.470 -21.144 1.00 12.25 O ATOM 274 CB THR A 20 7.711 32.669 -21.427 1.00 63.45 C ATOM 275 OG1 THR A 20 6.555 33.119 -22.103 1.00 12.53 O ATOM 276 CG2 THR A 20 7.416 31.333 -20.730 1.00 13.14 C ATOM 0 H THR A 20 9.632 30.967 -22.986 1.00 30.33 H new ATOM 0 HA THR A 20 9.132 33.752 -22.538 1.00 43.12 H new ATOM 0 HB THR A 20 7.911 33.433 -20.676 1.00 63.45 H new ATOM 0 HG1 THR A 20 6.747 33.200 -23.061 1.00 12.53 H new ATOM 0 HG21 THR A 20 6.446 31.387 -20.236 1.00 13.14 H new ATOM 0 HG22 THR A 20 7.403 30.532 -21.469 1.00 13.14 H new ATOM 0 HG23 THR A 20 8.190 31.130 -19.989 1.00 13.14 H new ATOM 284 N LYS A 21 10.513 31.379 -20.800 1.00 54.45 N ATOM 285 CA LYS A 21 11.711 31.121 -20.038 1.00 61.01 C ATOM 286 C LYS A 21 12.616 30.214 -20.866 1.00 32.24 C ATOM 287 O LYS A 21 12.351 29.053 -20.970 1.00 10.21 O ATOM 288 CB LYS A 21 11.341 30.451 -18.712 1.00 3.35 C ATOM 289 CG LYS A 21 10.384 31.277 -17.868 1.00 60.54 C ATOM 290 CD LYS A 21 9.917 30.525 -16.642 1.00 2.30 C ATOM 291 CE LYS A 21 8.925 31.358 -15.839 1.00 54.21 C ATOM 292 NZ LYS A 21 8.409 30.623 -14.669 1.00 73.02 N ATOM 0 H LYS A 21 9.872 30.590 -20.882 1.00 54.45 H new ATOM 0 HA LYS A 21 12.233 32.052 -19.815 1.00 61.01 H new ATOM 0 HB2 LYS A 21 10.889 29.481 -18.917 1.00 3.35 H new ATOM 0 HB3 LYS A 21 12.250 30.265 -18.141 1.00 3.35 H new ATOM 0 HG2 LYS A 21 10.875 32.200 -17.562 1.00 60.54 H new ATOM 0 HG3 LYS A 21 9.521 31.560 -18.471 1.00 60.54 H new ATOM 0 HD2 LYS A 21 9.451 29.586 -16.942 1.00 2.30 H new ATOM 0 HD3 LYS A 21 10.774 30.271 -16.018 1.00 2.30 H new ATOM 0 HE2 LYS A 21 9.408 32.277 -15.506 1.00 54.21 H new ATOM 0 HE3 LYS A 21 8.093 31.650 -16.480 1.00 54.21 H new ATOM 0 HZ1 LYS A 21 7.738 31.224 -14.150 1.00 73.02 H new ATOM 0 HZ2 LYS A 21 7.925 29.759 -14.987 1.00 73.02 H new ATOM 0 HZ3 LYS A 21 9.200 30.367 -14.044 1.00 73.02 H new ATOM 306 N PRO A 22 13.650 30.750 -21.522 1.00 54.22 N ATOM 307 CA PRO A 22 14.571 29.953 -22.326 1.00 5.04 C ATOM 308 C PRO A 22 15.611 29.281 -21.439 1.00 75.13 C ATOM 309 O PRO A 22 16.615 29.897 -21.061 1.00 75.11 O ATOM 310 CB PRO A 22 15.237 30.994 -23.258 1.00 61.41 C ATOM 311 CG PRO A 22 14.608 32.313 -22.915 1.00 30.54 C ATOM 312 CD PRO A 22 14.023 32.161 -21.544 1.00 14.44 C ATOM 0 HA PRO A 22 14.074 29.152 -22.873 1.00 5.04 H new ATOM 0 HB2 PRO A 22 16.316 31.023 -23.104 1.00 61.41 H new ATOM 0 HB3 PRO A 22 15.072 30.743 -24.306 1.00 61.41 H new ATOM 0 HG2 PRO A 22 15.348 33.113 -22.934 1.00 30.54 H new ATOM 0 HG3 PRO A 22 13.837 32.575 -23.639 1.00 30.54 H new ATOM 0 HD2 PRO A 22 14.745 32.403 -20.764 1.00 14.44 H new ATOM 0 HD3 PRO A 22 13.162 32.812 -21.394 1.00 14.44 H new ATOM 320 N GLU A 23 15.383 28.027 -21.111 1.00 4.34 N ATOM 321 CA GLU A 23 16.199 27.285 -20.185 1.00 12.20 C ATOM 322 C GLU A 23 16.530 25.925 -20.765 1.00 43.31 C ATOM 323 O GLU A 23 15.862 25.447 -21.711 1.00 42.21 O ATOM 324 CB GLU A 23 15.420 27.079 -18.874 1.00 12.12 C ATOM 325 CG GLU A 23 15.147 28.350 -18.090 1.00 63.41 C ATOM 326 CD GLU A 23 16.366 28.803 -17.307 1.00 74.22 C ATOM 327 OE1 GLU A 23 17.421 29.092 -17.913 1.00 11.04 O ATOM 328 OE2 GLU A 23 16.311 28.806 -16.037 1.00 14.24 O ATOM 0 H GLU A 23 14.606 27.486 -21.492 1.00 4.34 H new ATOM 0 HA GLU A 23 17.118 27.840 -19.998 1.00 12.20 H new ATOM 0 HB2 GLU A 23 14.469 26.599 -19.104 1.00 12.12 H new ATOM 0 HB3 GLU A 23 15.979 26.391 -18.240 1.00 12.12 H new ATOM 0 HG2 GLU A 23 14.841 29.141 -18.775 1.00 63.41 H new ATOM 0 HG3 GLU A 23 14.316 28.183 -17.404 1.00 63.41 H new ATOM 335 N GLN A 24 17.526 25.301 -20.188 1.00 73.53 N ATOM 336 CA GLN A 24 17.804 23.937 -20.433 1.00 14.34 C ATOM 337 C GLN A 24 17.002 23.153 -19.485 1.00 52.45 C ATOM 338 O GLN A 24 16.986 23.469 -18.284 1.00 31.13 O ATOM 339 CB GLN A 24 19.273 23.577 -20.380 1.00 73.52 C ATOM 340 CG GLN A 24 20.052 24.214 -21.486 1.00 33.32 C ATOM 341 CD GLN A 24 20.333 25.684 -21.298 1.00 22.41 C ATOM 342 OE1 GLN A 24 20.477 26.177 -20.179 1.00 50.34 O ATOM 343 NE2 GLN A 24 20.397 26.395 -22.385 1.00 11.21 N ATOM 0 H GLN A 24 18.166 25.745 -19.529 1.00 73.53 H new ATOM 0 HA GLN A 24 17.529 23.704 -21.462 1.00 14.34 H new ATOM 0 HB2 GLN A 24 19.687 23.888 -19.421 1.00 73.52 H new ATOM 0 HB3 GLN A 24 19.382 22.494 -20.438 1.00 73.52 H new ATOM 0 HG2 GLN A 24 21.001 23.688 -21.593 1.00 33.32 H new ATOM 0 HG3 GLN A 24 19.506 24.080 -22.420 1.00 33.32 H new ATOM 0 HE21 GLN A 24 20.272 25.949 -23.294 1.00 11.21 H new ATOM 0 HE22 GLN A 24 20.572 27.398 -22.329 1.00 11.21 H new ATOM 352 N ARG A 25 16.380 22.149 -19.960 1.00 21.52 N ATOM 353 CA ARG A 25 15.718 21.184 -19.135 1.00 15.42 C ATOM 354 C ARG A 25 16.064 19.872 -19.621 1.00 75.41 C ATOM 355 O ARG A 25 16.776 19.776 -20.599 1.00 64.21 O ATOM 356 CB ARG A 25 14.250 21.335 -19.125 1.00 44.41 C ATOM 357 CG ARG A 25 13.781 22.619 -18.465 1.00 41.33 C ATOM 358 CD ARG A 25 14.334 22.668 -17.073 1.00 21.02 C ATOM 359 NE ARG A 25 13.836 23.764 -16.261 1.00 14.40 N ATOM 360 CZ ARG A 25 14.622 24.591 -15.584 1.00 73.43 C ATOM 361 NH1 ARG A 25 15.915 24.679 -15.892 1.00 70.21 N ATOM 362 NH2 ARG A 25 14.107 25.365 -14.640 1.00 53.54 N ATOM 0 H ARG A 25 16.306 21.957 -20.959 1.00 21.52 H new ATOM 0 HA ARG A 25 16.049 21.336 -18.108 1.00 15.42 H new ATOM 0 HB2 ARG A 25 13.882 21.307 -20.151 1.00 44.41 H new ATOM 0 HB3 ARG A 25 13.808 20.485 -18.605 1.00 44.41 H new ATOM 0 HG2 ARG A 25 14.118 23.484 -19.037 1.00 41.33 H new ATOM 0 HG3 ARG A 25 12.692 22.657 -18.441 1.00 41.33 H new ATOM 0 HD2 ARG A 25 14.103 21.728 -16.572 1.00 21.02 H new ATOM 0 HD3 ARG A 25 15.420 22.740 -17.130 1.00 21.02 H new ATOM 0 HE ARG A 25 12.827 23.906 -16.208 1.00 14.40 H new ATOM 0 HH11 ARG A 25 16.299 24.111 -16.647 1.00 70.21 H new ATOM 0 HH12 ARG A 25 16.521 25.314 -15.373 1.00 70.21 H new ATOM 0 HH21 ARG A 25 13.109 25.324 -14.435 1.00 53.54 H new ATOM 0 HH22 ARG A 25 14.709 26.002 -14.118 1.00 53.54 H new ATOM 376 N ILE A 26 15.540 18.854 -19.013 1.00 50.02 N ATOM 377 CA ILE A 26 16.004 17.559 -19.307 1.00 24.34 C ATOM 378 C ILE A 26 14.802 16.580 -19.286 1.00 32.11 C ATOM 379 O ILE A 26 13.980 16.664 -18.405 1.00 42.45 O ATOM 380 CB ILE A 26 16.987 17.133 -18.165 1.00 21.10 C ATOM 381 CG1 ILE A 26 18.063 18.184 -17.912 1.00 64.11 C ATOM 382 CG2 ILE A 26 17.712 15.905 -18.605 1.00 53.54 C ATOM 383 CD1 ILE A 26 18.728 18.034 -16.580 1.00 31.42 C ATOM 0 H ILE A 26 14.796 18.906 -18.317 1.00 50.02 H new ATOM 0 HA ILE A 26 16.493 17.542 -20.281 1.00 24.34 H new ATOM 0 HB ILE A 26 16.394 16.988 -17.262 1.00 21.10 H new ATOM 0 HG12 ILE A 26 18.817 18.120 -18.697 1.00 64.11 H new ATOM 0 HG13 ILE A 26 17.616 19.176 -17.979 1.00 64.11 H new ATOM 0 HG21 ILE A 26 18.403 15.591 -17.823 1.00 53.54 H new ATOM 0 HG22 ILE A 26 16.994 15.108 -18.797 1.00 53.54 H new ATOM 0 HG23 ILE A 26 18.269 16.119 -19.517 1.00 53.54 H new ATOM 0 HD11 ILE A 26 19.483 18.811 -16.461 1.00 31.42 H new ATOM 0 HD12 ILE A 26 17.984 18.127 -15.789 1.00 31.42 H new ATOM 0 HD13 ILE A 26 19.202 17.055 -16.518 1.00 31.42 H new ATOM 395 N TYR A 27 14.681 15.733 -20.277 1.00 44.14 N ATOM 396 CA TYR A 27 13.485 14.898 -20.468 1.00 52.34 C ATOM 397 C TYR A 27 14.011 13.530 -20.883 1.00 34.20 C ATOM 398 O TYR A 27 15.153 13.421 -21.358 1.00 13.22 O ATOM 399 CB TYR A 27 12.582 15.487 -21.599 1.00 4.34 C ATOM 400 CG TYR A 27 13.156 15.419 -23.005 1.00 43.24 C ATOM 401 CD1 TYR A 27 14.050 16.363 -23.481 1.00 55.32 C ATOM 402 CD2 TYR A 27 12.786 14.381 -23.855 1.00 64.24 C ATOM 403 CE1 TYR A 27 14.560 16.258 -24.769 1.00 25.23 C ATOM 404 CE2 TYR A 27 13.289 14.281 -25.125 1.00 5.24 C ATOM 405 CZ TYR A 27 14.178 15.215 -25.576 1.00 61.32 C ATOM 406 OH TYR A 27 14.676 15.119 -26.856 1.00 23.02 O ATOM 0 H TYR A 27 15.402 15.590 -20.985 1.00 44.14 H new ATOM 0 HA TYR A 27 12.879 14.849 -19.563 1.00 52.34 H new ATOM 0 HB2 TYR A 27 11.629 14.958 -21.590 1.00 4.34 H new ATOM 0 HB3 TYR A 27 12.370 16.530 -21.363 1.00 4.34 H new ATOM 0 HD1 TYR A 27 14.352 17.184 -22.848 1.00 55.32 H new ATOM 0 HD2 TYR A 27 12.086 13.637 -23.505 1.00 64.24 H new ATOM 0 HE1 TYR A 27 15.257 16.997 -25.136 1.00 25.23 H new ATOM 0 HE2 TYR A 27 12.984 13.468 -25.767 1.00 5.24 H new ATOM 0 HH TYR A 27 14.306 14.323 -27.292 1.00 23.02 H new ATOM 416 N TYR A 28 13.217 12.487 -20.676 1.00 1.22 N ATOM 417 CA TYR A 28 13.578 11.132 -21.011 1.00 22.30 C ATOM 418 C TYR A 28 13.310 10.865 -22.495 1.00 11.33 C ATOM 419 O TYR A 28 12.279 11.237 -23.048 1.00 3.34 O ATOM 420 CB TYR A 28 12.858 10.116 -20.079 1.00 73.55 C ATOM 421 CG TYR A 28 12.989 8.622 -20.424 1.00 44.43 C ATOM 422 CD1 TYR A 28 13.997 7.829 -19.957 1.00 2.11 C ATOM 423 CD2 TYR A 28 12.008 8.017 -21.177 1.00 63.03 C ATOM 424 CE1 TYR A 28 14.004 6.471 -20.240 1.00 31.31 C ATOM 425 CE2 TYR A 28 12.007 6.697 -21.469 1.00 52.11 C ATOM 426 CZ TYR A 28 12.990 5.924 -21.004 1.00 20.20 C ATOM 427 OH TYR A 28 12.963 4.587 -21.283 1.00 50.43 O ATOM 0 H TYR A 28 12.288 12.570 -20.262 1.00 1.22 H new ATOM 0 HA TYR A 28 14.647 10.997 -20.846 1.00 22.30 H new ATOM 0 HB2 TYR A 28 13.235 10.262 -19.067 1.00 73.55 H new ATOM 0 HB3 TYR A 28 11.797 10.366 -20.064 1.00 73.55 H new ATOM 0 HD1 TYR A 28 14.791 8.260 -19.366 1.00 2.11 H new ATOM 0 HD2 TYR A 28 11.200 8.627 -21.553 1.00 63.03 H new ATOM 0 HE1 TYR A 28 14.799 5.843 -19.865 1.00 31.31 H new ATOM 0 HE2 TYR A 28 11.218 6.272 -22.073 1.00 52.11 H new ATOM 0 HH TYR A 28 12.034 4.293 -21.384 1.00 50.43 H new ATOM 437 N ASN A 29 14.278 10.287 -23.101 1.00 71.23 N ATOM 438 CA ASN A 29 14.086 9.876 -24.477 1.00 71.31 C ATOM 439 C ASN A 29 13.231 8.659 -24.530 1.00 64.32 C ATOM 440 O ASN A 29 13.455 7.693 -23.857 1.00 45.54 O ATOM 441 CB ASN A 29 15.368 9.561 -25.200 1.00 41.02 C ATOM 442 CG ASN A 29 16.269 10.711 -25.442 1.00 61.22 C ATOM 443 OD1 ASN A 29 17.461 10.553 -25.390 1.00 63.52 O ATOM 444 ND2 ASN A 29 15.718 11.823 -25.857 1.00 45.33 N ATOM 0 H ASN A 29 15.193 10.083 -22.699 1.00 71.23 H new ATOM 0 HA ASN A 29 13.617 10.726 -24.973 1.00 71.31 H new ATOM 0 HB2 ASN A 29 15.912 8.811 -24.626 1.00 41.02 H new ATOM 0 HB3 ASN A 29 15.120 9.109 -26.160 1.00 41.02 H new ATOM 0 HD21 ASN A 29 16.304 12.603 -26.154 1.00 45.33 H new ATOM 0 HD22 ASN A 29 14.702 11.910 -25.883 1.00 45.33 H new ATOM 451 N SER A 30 12.402 8.690 -25.553 1.00 25.33 N ATOM 452 CA SER A 30 11.297 7.748 -25.772 1.00 41.34 C ATOM 453 C SER A 30 11.978 6.538 -26.445 1.00 11.21 C ATOM 454 O SER A 30 12.007 5.423 -25.938 1.00 41.01 O ATOM 455 CB SER A 30 10.326 8.379 -26.794 1.00 52.12 C ATOM 456 OG SER A 30 9.910 9.683 -26.398 1.00 43.34 O ATOM 0 H SER A 30 12.473 9.394 -26.288 1.00 25.33 H new ATOM 0 HA SER A 30 10.755 7.493 -24.862 1.00 41.34 H new ATOM 0 HB2 SER A 30 10.810 8.433 -27.769 1.00 52.12 H new ATOM 0 HB3 SER A 30 9.452 7.738 -26.907 1.00 52.12 H new ATOM 0 HG SER A 30 9.301 9.614 -25.633 1.00 43.34 H new ATOM 462 N ALA A 31 12.534 6.855 -27.627 1.00 45.24 N ATOM 463 CA ALA A 31 13.361 5.917 -28.403 1.00 1.10 C ATOM 464 C ALA A 31 14.546 5.397 -27.558 1.00 51.30 C ATOM 465 O ALA A 31 14.660 4.236 -27.203 1.00 23.25 O ATOM 466 CB ALA A 31 13.883 6.614 -29.651 1.00 41.33 C ATOM 0 H ALA A 31 12.423 7.767 -28.070 1.00 45.24 H new ATOM 0 HA ALA A 31 12.745 5.064 -28.688 1.00 1.10 H new ATOM 0 HB1 ALA A 31 14.496 5.920 -30.226 1.00 41.33 H new ATOM 0 HB2 ALA A 31 13.043 6.947 -30.260 1.00 41.33 H new ATOM 0 HB3 ALA A 31 14.485 7.475 -29.362 1.00 41.33 H new ATOM 472 N LYS A 32 15.361 6.373 -27.217 1.00 60.22 N ATOM 473 CA LYS A 32 16.772 6.161 -26.832 1.00 62.33 C ATOM 474 C LYS A 32 17.005 5.792 -25.385 1.00 33.33 C ATOM 475 O LYS A 32 18.083 5.363 -24.987 1.00 34.52 O ATOM 476 CB LYS A 32 17.540 7.442 -27.070 1.00 44.22 C ATOM 477 CG LYS A 32 17.396 8.001 -28.449 1.00 74.45 C ATOM 478 CD LYS A 32 18.339 9.158 -28.643 1.00 71.30 C ATOM 479 CE LYS A 32 18.186 9.786 -30.010 1.00 11.24 C ATOM 480 NZ LYS A 32 19.132 10.900 -30.202 1.00 43.41 N ATOM 0 H LYS A 32 15.076 7.352 -27.194 1.00 60.22 H new ATOM 0 HA LYS A 32 17.102 5.319 -27.441 1.00 62.33 H new ATOM 0 HB2 LYS A 32 17.206 8.190 -26.351 1.00 44.22 H new ATOM 0 HB3 LYS A 32 18.597 7.260 -26.873 1.00 44.22 H new ATOM 0 HG2 LYS A 32 17.603 7.226 -29.187 1.00 74.45 H new ATOM 0 HG3 LYS A 32 16.369 8.329 -28.611 1.00 74.45 H new ATOM 0 HD2 LYS A 32 18.155 9.910 -27.875 1.00 71.30 H new ATOM 0 HD3 LYS A 32 19.366 8.815 -28.514 1.00 71.30 H new ATOM 0 HE2 LYS A 32 18.351 9.031 -30.779 1.00 11.24 H new ATOM 0 HE3 LYS A 32 17.165 10.149 -30.133 1.00 11.24 H new ATOM 0 HZ1 LYS A 32 19.000 11.308 -31.150 1.00 43.41 H new ATOM 0 HZ2 LYS A 32 18.958 11.631 -29.483 1.00 43.41 H new ATOM 0 HZ3 LYS A 32 20.106 10.548 -30.109 1.00 43.41 H new ATOM 494 N LYS A 33 15.915 5.975 -24.648 1.00 32.33 N ATOM 495 CA LYS A 33 15.827 5.601 -23.246 1.00 23.03 C ATOM 496 C LYS A 33 16.929 6.235 -22.413 1.00 0.41 C ATOM 497 O LYS A 33 17.598 5.583 -21.625 1.00 31.05 O ATOM 498 CB LYS A 33 15.780 4.087 -23.097 1.00 52.31 C ATOM 499 CG LYS A 33 14.558 3.547 -23.779 1.00 52.42 C ATOM 500 CD LYS A 33 14.123 2.236 -23.243 1.00 12.42 C ATOM 501 CE LYS A 33 12.674 2.092 -23.578 1.00 14.03 C ATOM 502 NZ LYS A 33 12.081 0.868 -23.028 1.00 11.10 N ATOM 0 H LYS A 33 15.059 6.392 -25.014 1.00 32.33 H new ATOM 0 HA LYS A 33 14.892 5.998 -22.851 1.00 23.03 H new ATOM 0 HB2 LYS A 33 16.676 3.642 -23.530 1.00 52.31 H new ATOM 0 HB3 LYS A 33 15.768 3.817 -22.041 1.00 52.31 H new ATOM 0 HG2 LYS A 33 13.744 4.264 -23.673 1.00 52.42 H new ATOM 0 HG3 LYS A 33 14.759 3.448 -24.846 1.00 52.42 H new ATOM 0 HD2 LYS A 33 14.704 1.426 -23.684 1.00 12.42 H new ATOM 0 HD3 LYS A 33 14.277 2.189 -22.165 1.00 12.42 H new ATOM 0 HE2 LYS A 33 12.130 2.956 -23.197 1.00 14.03 H new ATOM 0 HE3 LYS A 33 12.555 2.093 -24.661 1.00 14.03 H new ATOM 0 HZ1 LYS A 33 11.076 0.821 -23.291 1.00 11.10 H new ATOM 0 HZ2 LYS A 33 12.579 0.039 -23.411 1.00 11.10 H new ATOM 0 HZ3 LYS A 33 12.167 0.876 -21.992 1.00 11.10 H new ATOM 516 N GLN A 34 17.097 7.517 -22.641 1.00 65.15 N ATOM 517 CA GLN A 34 18.096 8.336 -21.984 1.00 63.21 C ATOM 518 C GLN A 34 17.377 9.504 -21.322 1.00 24.21 C ATOM 519 O GLN A 34 16.171 9.574 -21.327 1.00 41.04 O ATOM 520 CB GLN A 34 19.118 8.866 -22.996 1.00 32.44 C ATOM 521 CG GLN A 34 19.871 7.795 -23.757 1.00 74.11 C ATOM 522 CD GLN A 34 20.950 8.371 -24.644 1.00 33.14 C ATOM 523 OE1 GLN A 34 20.846 9.495 -25.131 1.00 74.30 O ATOM 524 NE2 GLN A 34 21.980 7.606 -24.877 1.00 73.42 N ATOM 0 H GLN A 34 16.527 8.037 -23.308 1.00 65.15 H new ATOM 0 HA GLN A 34 18.634 7.741 -21.246 1.00 63.21 H new ATOM 0 HB2 GLN A 34 18.602 9.506 -23.712 1.00 32.44 H new ATOM 0 HB3 GLN A 34 19.838 9.493 -22.470 1.00 32.44 H new ATOM 0 HG2 GLN A 34 20.320 7.098 -23.050 1.00 74.11 H new ATOM 0 HG3 GLN A 34 19.170 7.224 -24.366 1.00 74.11 H new ATOM 0 HE21 GLN A 34 22.032 6.679 -24.455 1.00 73.42 H new ATOM 0 HE22 GLN A 34 22.733 7.935 -25.481 1.00 73.42 H new ATOM 533 N CYS A 35 18.142 10.446 -20.840 1.00 44.15 N ATOM 534 CA CYS A 35 17.603 11.625 -20.186 1.00 41.55 C ATOM 535 C CYS A 35 18.429 12.682 -20.773 1.00 50.35 C ATOM 536 O CYS A 35 19.641 12.715 -20.507 1.00 1.51 O ATOM 537 CB CYS A 35 17.730 11.635 -18.650 1.00 14.10 C ATOM 538 SG CYS A 35 16.881 13.073 -17.863 1.00 14.23 S ATOM 0 H CYS A 35 19.161 10.425 -20.886 1.00 44.15 H new ATOM 0 HA CYS A 35 16.527 11.713 -20.340 1.00 41.55 H new ATOM 0 HB2 CYS A 35 17.312 10.711 -18.251 1.00 14.10 H new ATOM 0 HB3 CYS A 35 18.786 11.651 -18.379 1.00 14.10 H new ATOM 543 N VAL A 36 17.896 13.509 -21.610 1.00 11.02 N ATOM 544 CA VAL A 36 18.659 14.418 -22.379 1.00 2.25 C ATOM 545 C VAL A 36 17.984 15.754 -22.243 1.00 11.44 C ATOM 546 O VAL A 36 16.855 15.839 -21.804 1.00 73.33 O ATOM 547 CB VAL A 36 18.681 14.028 -23.885 1.00 61.54 C ATOM 548 CG1 VAL A 36 19.158 12.620 -24.083 1.00 11.31 C ATOM 549 CG2 VAL A 36 17.319 14.174 -24.512 1.00 63.14 C ATOM 0 H VAL A 36 16.892 13.568 -21.778 1.00 11.02 H new ATOM 0 HA VAL A 36 19.690 14.423 -22.026 1.00 2.25 H new ATOM 0 HB VAL A 36 19.376 14.713 -24.371 1.00 61.54 H new ATOM 0 HG11 VAL A 36 19.160 12.383 -25.147 1.00 11.31 H new ATOM 0 HG12 VAL A 36 20.168 12.519 -23.687 1.00 11.31 H new ATOM 0 HG13 VAL A 36 18.493 11.933 -23.560 1.00 11.31 H new ATOM 0 HG21 VAL A 36 17.371 13.893 -25.564 1.00 63.14 H new ATOM 0 HG22 VAL A 36 16.610 13.525 -23.998 1.00 63.14 H new ATOM 0 HG23 VAL A 36 16.989 15.210 -24.429 1.00 63.14 H new ATOM 559 N THR A 37 18.674 16.770 -22.603 1.00 24.41 N ATOM 560 CA THR A 37 18.177 18.098 -22.489 1.00 43.20 C ATOM 561 C THR A 37 17.313 18.570 -23.650 1.00 13.20 C ATOM 562 O THR A 37 17.452 18.111 -24.794 1.00 10.31 O ATOM 563 CB THR A 37 19.323 19.099 -22.227 1.00 15.01 C ATOM 564 OG1 THR A 37 20.354 18.972 -23.227 1.00 61.43 O ATOM 565 CG2 THR A 37 19.904 18.896 -20.855 1.00 14.41 C ATOM 0 H THR A 37 19.615 16.707 -22.992 1.00 24.41 H new ATOM 0 HA THR A 37 17.508 18.066 -21.629 1.00 43.20 H new ATOM 0 HB THR A 37 18.908 20.105 -22.284 1.00 15.01 H new ATOM 0 HG1 THR A 37 21.069 19.616 -23.043 1.00 61.43 H new ATOM 0 HG21 THR A 37 20.710 19.612 -20.692 1.00 14.41 H new ATOM 0 HG22 THR A 37 19.127 19.046 -20.105 1.00 14.41 H new ATOM 0 HG23 THR A 37 20.297 17.883 -20.772 1.00 14.41 H new ATOM 573 N PHE A 38 16.441 19.513 -23.340 1.00 70.41 N ATOM 574 CA PHE A 38 15.582 20.091 -24.297 1.00 31.31 C ATOM 575 C PHE A 38 15.423 21.509 -23.958 1.00 31.33 C ATOM 576 O PHE A 38 15.725 21.948 -22.823 1.00 75.01 O ATOM 577 CB PHE A 38 14.192 19.499 -24.349 1.00 64.51 C ATOM 578 CG PHE A 38 13.259 19.710 -23.198 1.00 64.32 C ATOM 579 CD1 PHE A 38 13.396 19.090 -21.982 1.00 5.44 C ATOM 580 CD2 PHE A 38 12.185 20.540 -23.403 1.00 31.44 C ATOM 581 CE1 PHE A 38 12.468 19.309 -20.992 1.00 14.44 C ATOM 582 CE2 PHE A 38 11.269 20.774 -22.443 1.00 11.13 C ATOM 583 CZ PHE A 38 11.402 20.158 -21.222 1.00 2.34 C ATOM 0 H PHE A 38 16.326 19.888 -22.398 1.00 70.41 H new ATOM 0 HA PHE A 38 16.046 19.908 -25.266 1.00 31.31 H new ATOM 0 HB2 PHE A 38 13.703 19.890 -25.242 1.00 64.51 H new ATOM 0 HB3 PHE A 38 14.300 18.423 -24.490 1.00 64.51 H new ATOM 0 HD1 PHE A 38 14.232 18.430 -21.803 1.00 5.44 H new ATOM 0 HD2 PHE A 38 12.071 21.020 -24.364 1.00 31.44 H new ATOM 0 HE1 PHE A 38 12.572 18.818 -20.036 1.00 14.44 H new ATOM 0 HE2 PHE A 38 10.439 21.439 -22.631 1.00 11.13 H new ATOM 0 HZ PHE A 38 10.675 20.337 -20.444 1.00 2.34 H new ATOM 593 N THR A 39 15.002 22.208 -24.915 1.00 44.02 N ATOM 594 CA THR A 39 14.714 23.582 -24.804 1.00 40.02 C ATOM 595 C THR A 39 13.356 23.716 -24.132 1.00 72.12 C ATOM 596 O THR A 39 12.335 23.396 -24.710 1.00 54.11 O ATOM 597 CB THR A 39 14.569 24.153 -26.209 1.00 74.21 C ATOM 598 OG1 THR A 39 15.755 23.853 -26.977 1.00 31.15 O ATOM 599 CG2 THR A 39 14.347 25.662 -26.184 1.00 33.32 C ATOM 0 H THR A 39 14.837 21.831 -25.848 1.00 44.02 H new ATOM 0 HA THR A 39 15.497 24.094 -24.245 1.00 40.02 H new ATOM 0 HB THR A 39 13.696 23.692 -26.670 1.00 74.21 H new ATOM 0 HG1 THR A 39 15.660 24.219 -27.881 1.00 31.15 H new ATOM 0 HG21 THR A 39 14.248 26.032 -27.204 1.00 33.32 H new ATOM 0 HG22 THR A 39 13.438 25.887 -25.627 1.00 33.32 H new ATOM 0 HG23 THR A 39 15.196 26.147 -25.703 1.00 33.32 H new ATOM 607 N TYR A 40 13.365 24.157 -22.922 1.00 44.24 N ATOM 608 CA TYR A 40 12.110 24.321 -22.263 1.00 42.03 C ATOM 609 C TYR A 40 11.802 25.743 -22.151 1.00 11.12 C ATOM 610 O TYR A 40 12.508 26.454 -21.471 1.00 13.14 O ATOM 611 CB TYR A 40 12.095 23.658 -20.891 1.00 2.04 C ATOM 612 CG TYR A 40 10.815 23.839 -20.048 1.00 62.23 C ATOM 613 CD1 TYR A 40 10.698 24.922 -19.176 1.00 61.23 C ATOM 614 CD2 TYR A 40 9.736 22.927 -20.103 1.00 11.12 C ATOM 615 CE1 TYR A 40 9.574 25.108 -18.402 1.00 33.31 C ATOM 616 CE2 TYR A 40 8.612 23.123 -19.325 1.00 34.12 C ATOM 617 CZ TYR A 40 8.535 24.213 -18.482 1.00 31.40 C ATOM 618 OH TYR A 40 7.408 24.400 -17.701 1.00 73.54 O ATOM 0 H TYR A 40 14.194 24.404 -22.381 1.00 44.24 H new ATOM 0 HA TYR A 40 11.344 23.828 -22.862 1.00 42.03 H new ATOM 0 HB2 TYR A 40 12.265 22.590 -21.027 1.00 2.04 H new ATOM 0 HB3 TYR A 40 12.938 24.044 -20.317 1.00 2.04 H new ATOM 0 HD1 TYR A 40 11.509 25.632 -19.106 1.00 61.23 H new ATOM 0 HD2 TYR A 40 9.791 22.070 -20.759 1.00 11.12 H new ATOM 0 HE1 TYR A 40 9.510 25.955 -17.734 1.00 33.31 H new ATOM 0 HE2 TYR A 40 7.792 22.422 -19.376 1.00 34.12 H new ATOM 0 HH TYR A 40 6.766 23.681 -17.876 1.00 73.54 H new ATOM 628 N ASN A 41 10.830 26.187 -22.890 1.00 71.20 N ATOM 629 CA ASN A 41 10.472 27.565 -22.858 1.00 64.33 C ATOM 630 C ASN A 41 9.395 27.797 -21.874 1.00 14.43 C ATOM 631 O ASN A 41 9.294 28.886 -21.313 1.00 64.51 O ATOM 632 CB ASN A 41 10.128 28.113 -24.213 1.00 11.40 C ATOM 633 CG ASN A 41 11.290 28.150 -25.175 1.00 54.13 C ATOM 634 OD1 ASN A 41 11.106 28.007 -26.368 1.00 0.14 O ATOM 635 ND2 ASN A 41 12.477 28.357 -24.673 1.00 42.11 N ATOM 0 H ASN A 41 10.273 25.611 -23.521 1.00 71.20 H new ATOM 0 HA ASN A 41 11.353 28.120 -22.536 1.00 64.33 H new ATOM 0 HB2 ASN A 41 9.331 27.509 -24.646 1.00 11.40 H new ATOM 0 HB3 ASN A 41 9.735 29.123 -24.096 1.00 11.40 H new ATOM 0 HD21 ASN A 41 13.290 28.403 -25.288 1.00 42.11 H new ATOM 0 HD22 ASN A 41 12.592 28.472 -23.666 1.00 42.11 H new ATOM 642 N GLY A 42 8.537 26.811 -21.680 1.00 3.33 N ATOM 643 CA GLY A 42 7.703 26.919 -20.549 1.00 13.33 C ATOM 644 C GLY A 42 6.252 27.192 -20.742 1.00 50.23 C ATOM 645 O GLY A 42 5.627 27.592 -19.773 1.00 21.34 O ATOM 0 H GLY A 42 8.418 25.983 -22.264 1.00 3.33 H new ATOM 0 HA2 GLY A 42 7.790 25.989 -19.987 1.00 13.33 H new ATOM 0 HA3 GLY A 42 8.105 27.712 -19.919 1.00 13.33 H new ATOM 649 N LYS A 43 5.635 27.027 -21.906 1.00 10.41 N ATOM 650 CA LYS A 43 4.256 27.404 -22.080 1.00 75.43 C ATOM 651 C LYS A 43 3.483 26.264 -22.771 1.00 3.10 C ATOM 652 O LYS A 43 3.552 25.106 -22.386 1.00 5.34 O ATOM 653 CB LYS A 43 4.203 28.642 -23.043 1.00 62.42 C ATOM 654 CG LYS A 43 5.061 29.829 -22.692 1.00 4.44 C ATOM 655 CD LYS A 43 4.401 31.127 -23.133 1.00 33.13 C ATOM 656 CE LYS A 43 3.138 31.374 -22.321 1.00 3.02 C ATOM 657 NZ LYS A 43 2.430 32.612 -22.696 1.00 72.44 N ATOM 0 H LYS A 43 6.076 26.634 -22.737 1.00 10.41 H new ATOM 0 HA LYS A 43 3.819 27.624 -21.106 1.00 75.43 H new ATOM 0 HB2 LYS A 43 4.485 28.305 -24.041 1.00 62.42 H new ATOM 0 HB3 LYS A 43 3.168 28.980 -23.101 1.00 62.42 H new ATOM 0 HG2 LYS A 43 5.234 29.852 -21.616 1.00 4.44 H new ATOM 0 HG3 LYS A 43 6.036 29.732 -23.170 1.00 4.44 H new ATOM 0 HD2 LYS A 43 5.094 31.958 -23.004 1.00 33.13 H new ATOM 0 HD3 LYS A 43 4.157 31.077 -24.194 1.00 33.13 H new ATOM 0 HE2 LYS A 43 2.464 30.527 -22.446 1.00 3.02 H new ATOM 0 HE3 LYS A 43 3.399 31.420 -21.264 1.00 3.02 H new ATOM 0 HZ1 LYS A 43 1.581 32.719 -22.105 1.00 72.44 H new ATOM 0 HZ2 LYS A 43 3.058 33.428 -22.551 1.00 72.44 H new ATOM 0 HZ3 LYS A 43 2.152 32.563 -23.697 1.00 72.44 H new ATOM 671 N GLY A 44 2.773 26.710 -23.782 1.00 0.14 N ATOM 672 CA GLY A 44 2.046 25.840 -24.709 1.00 64.21 C ATOM 673 C GLY A 44 2.560 24.437 -25.016 1.00 41.13 C ATOM 674 O GLY A 44 3.727 24.223 -25.363 1.00 34.44 O ATOM 0 H GLY A 44 2.676 27.703 -23.996 1.00 0.14 H new ATOM 0 HA2 GLY A 44 1.032 25.734 -24.323 1.00 64.21 H new ATOM 0 HA3 GLY A 44 1.972 26.371 -25.658 1.00 64.21 H new ATOM 678 N GLY A 45 1.607 23.525 -24.955 1.00 61.14 N ATOM 679 CA GLY A 45 1.825 22.165 -25.355 1.00 53.32 C ATOM 680 C GLY A 45 2.379 21.295 -24.258 1.00 23.33 C ATOM 681 O GLY A 45 2.233 21.598 -23.067 1.00 22.43 O ATOM 0 H GLY A 45 0.661 23.716 -24.625 1.00 61.14 H new ATOM 0 HA2 GLY A 45 0.882 21.742 -25.702 1.00 53.32 H new ATOM 0 HA3 GLY A 45 2.512 22.150 -26.201 1.00 53.32 H new ATOM 685 N ASN A 46 2.951 20.170 -24.681 1.00 72.43 N ATOM 686 CA ASN A 46 3.494 19.275 -23.647 1.00 71.55 C ATOM 687 C ASN A 46 4.666 19.759 -22.837 1.00 22.10 C ATOM 688 O ASN A 46 5.618 20.343 -23.296 1.00 23.54 O ATOM 689 CB ASN A 46 3.727 17.826 -24.132 1.00 31.34 C ATOM 690 CG ASN A 46 2.446 17.072 -24.479 1.00 15.03 C ATOM 691 OD1 ASN A 46 1.378 17.331 -23.926 1.00 65.32 O ATOM 692 ND2 ASN A 46 2.542 16.118 -25.362 1.00 2.00 N ATOM 0 H ASN A 46 3.050 19.867 -25.650 1.00 72.43 H new ATOM 0 HA ASN A 46 2.665 19.286 -22.940 1.00 71.55 H new ATOM 0 HB2 ASN A 46 4.373 17.847 -25.010 1.00 31.34 H new ATOM 0 HB3 ASN A 46 4.261 17.276 -23.357 1.00 31.34 H new ATOM 0 HD21 ASN A 46 1.720 15.567 -25.609 1.00 2.00 H new ATOM 0 HD22 ASN A 46 3.439 15.923 -25.806 1.00 2.00 H new ATOM 699 N GLY A 47 4.530 19.384 -21.594 1.00 54.12 N ATOM 700 CA GLY A 47 5.469 19.817 -20.602 1.00 3.14 C ATOM 701 C GLY A 47 6.271 18.726 -20.008 1.00 63.25 C ATOM 702 O GLY A 47 6.487 18.712 -18.781 1.00 65.23 O ATOM 0 H GLY A 47 3.782 18.783 -21.248 1.00 54.12 H new ATOM 0 HA2 GLY A 47 6.144 20.546 -21.051 1.00 3.14 H new ATOM 0 HA3 GLY A 47 4.929 20.330 -19.806 1.00 3.14 H new ATOM 706 N ASN A 48 6.666 17.770 -20.824 1.00 44.31 N ATOM 707 CA ASN A 48 7.564 16.745 -20.332 1.00 31.43 C ATOM 708 C ASN A 48 8.899 17.386 -20.091 1.00 44.54 C ATOM 709 O ASN A 48 9.643 17.668 -21.023 1.00 33.02 O ATOM 710 CB ASN A 48 7.734 15.561 -21.264 1.00 43.53 C ATOM 711 CG ASN A 48 8.591 14.508 -20.585 1.00 74.03 C ATOM 712 OD1 ASN A 48 8.578 14.395 -19.362 1.00 62.34 O ATOM 713 ND2 ASN A 48 9.320 13.738 -21.337 1.00 1.03 N ATOM 0 H ASN A 48 6.390 17.681 -21.802 1.00 44.31 H new ATOM 0 HA ASN A 48 7.125 16.339 -19.421 1.00 31.43 H new ATOM 0 HB2 ASN A 48 6.761 15.144 -21.522 1.00 43.53 H new ATOM 0 HB3 ASN A 48 8.201 15.881 -22.196 1.00 43.53 H new ATOM 0 HD21 ASN A 48 9.903 13.015 -20.914 1.00 1.03 H new ATOM 0 HD22 ASN A 48 9.309 13.856 -22.350 1.00 1.03 H new ATOM 720 N ASN A 49 9.171 17.618 -18.854 1.00 71.32 N ATOM 721 CA ASN A 49 10.256 18.362 -18.341 1.00 22.44 C ATOM 722 C ASN A 49 10.665 17.799 -17.015 1.00 11.14 C ATOM 723 O ASN A 49 9.832 17.711 -16.104 1.00 10.12 O ATOM 724 CB ASN A 49 9.745 19.783 -18.112 1.00 31.22 C ATOM 725 CG ASN A 49 10.710 20.682 -17.382 1.00 23.24 C ATOM 726 OD1 ASN A 49 11.904 20.514 -17.438 1.00 42.34 O ATOM 727 ND2 ASN A 49 10.170 21.637 -16.672 1.00 30.25 N ATOM 0 H ASN A 49 8.578 17.253 -18.108 1.00 71.32 H new ATOM 0 HA ASN A 49 11.103 18.334 -19.027 1.00 22.44 H new ATOM 0 HB2 ASN A 49 9.509 20.231 -19.077 1.00 31.22 H new ATOM 0 HB3 ASN A 49 8.814 19.735 -17.547 1.00 31.22 H new ATOM 0 HD21 ASN A 49 10.762 22.274 -16.139 1.00 30.25 H new ATOM 0 HD22 ASN A 49 9.156 21.746 -16.651 1.00 30.25 H new ATOM 734 N PHE A 50 11.889 17.371 -16.891 1.00 23.11 N ATOM 735 CA PHE A 50 12.403 17.007 -15.617 1.00 11.11 C ATOM 736 C PHE A 50 13.432 18.073 -15.254 1.00 3.40 C ATOM 737 O PHE A 50 14.530 18.134 -15.795 1.00 2.35 O ATOM 738 CB PHE A 50 12.953 15.534 -15.591 1.00 11.40 C ATOM 739 CG PHE A 50 11.905 14.558 -16.069 1.00 55.33 C ATOM 740 CD1 PHE A 50 10.791 14.283 -15.294 1.00 0.10 C ATOM 741 CD2 PHE A 50 12.022 13.949 -17.310 1.00 13.21 C ATOM 742 CE1 PHE A 50 9.813 13.422 -15.748 1.00 1.25 C ATOM 743 CE2 PHE A 50 11.053 13.082 -17.765 1.00 70.41 C ATOM 744 CZ PHE A 50 9.944 12.820 -16.984 1.00 2.24 C ATOM 0 H PHE A 50 12.546 17.268 -17.665 1.00 23.11 H new ATOM 0 HA PHE A 50 11.620 16.985 -14.859 1.00 11.11 H new ATOM 0 HB2 PHE A 50 13.838 15.461 -16.223 1.00 11.40 H new ATOM 0 HB3 PHE A 50 13.262 15.275 -14.578 1.00 11.40 H new ATOM 0 HD1 PHE A 50 10.687 14.747 -14.324 1.00 0.10 H new ATOM 0 HD2 PHE A 50 12.884 14.157 -17.927 1.00 13.21 H new ATOM 0 HE1 PHE A 50 8.946 13.219 -15.137 1.00 1.25 H new ATOM 0 HE2 PHE A 50 11.160 12.608 -18.730 1.00 70.41 H new ATOM 0 HZ PHE A 50 9.180 12.145 -17.340 1.00 2.24 H new ATOM 754 N SER A 51 13.016 18.924 -14.335 1.00 12.55 N ATOM 755 CA SER A 51 13.720 20.181 -14.064 1.00 44.12 C ATOM 756 C SER A 51 14.780 19.958 -12.992 1.00 74.52 C ATOM 757 O SER A 51 15.521 20.876 -12.619 1.00 63.04 O ATOM 758 CB SER A 51 12.682 21.203 -13.616 1.00 51.41 C ATOM 759 OG SER A 51 11.922 20.685 -12.522 1.00 13.30 O ATOM 0 H SER A 51 12.190 18.774 -13.756 1.00 12.55 H new ATOM 0 HA SER A 51 14.231 20.546 -14.955 1.00 44.12 H new ATOM 0 HB2 SER A 51 13.176 22.128 -13.320 1.00 51.41 H new ATOM 0 HB3 SER A 51 12.019 21.447 -14.446 1.00 51.41 H new ATOM 0 HG SER A 51 11.259 21.350 -12.240 1.00 13.30 H new ATOM 765 N ARG A 52 14.867 18.760 -12.522 1.00 33.10 N ATOM 766 CA ARG A 52 15.839 18.387 -11.543 1.00 72.14 C ATOM 767 C ARG A 52 16.468 17.134 -12.085 1.00 62.32 C ATOM 768 O ARG A 52 15.763 16.182 -12.460 1.00 14.55 O ATOM 769 CB ARG A 52 15.150 18.078 -10.205 1.00 42.24 C ATOM 770 CG ARG A 52 14.253 19.182 -9.642 1.00 45.22 C ATOM 771 CD ARG A 52 15.014 20.464 -9.332 1.00 72.22 C ATOM 772 NE ARG A 52 16.056 20.274 -8.312 1.00 4.43 N ATOM 773 CZ ARG A 52 15.959 20.688 -7.042 1.00 51.15 C ATOM 774 NH1 ARG A 52 14.817 21.192 -6.598 1.00 41.34 N ATOM 775 NH2 ARG A 52 16.994 20.581 -6.220 1.00 55.31 N ATOM 0 H ARG A 52 14.255 17.997 -12.810 1.00 33.10 H new ATOM 0 HA ARG A 52 16.566 19.179 -11.364 1.00 72.14 H new ATOM 0 HB2 ARG A 52 14.549 17.177 -10.328 1.00 42.24 H new ATOM 0 HB3 ARG A 52 15.919 17.850 -9.467 1.00 42.24 H new ATOM 0 HG2 ARG A 52 13.461 19.400 -10.358 1.00 45.22 H new ATOM 0 HG3 ARG A 52 13.771 18.823 -8.733 1.00 45.22 H new ATOM 0 HD2 ARG A 52 15.472 20.840 -10.247 1.00 72.22 H new ATOM 0 HD3 ARG A 52 14.312 21.225 -8.991 1.00 72.22 H new ATOM 0 HE ARG A 52 16.912 19.794 -8.591 1.00 4.43 H new ATOM 0 HH11 ARG A 52 14.014 21.264 -7.223 1.00 41.34 H new ATOM 0 HH12 ARG A 52 14.741 21.508 -5.631 1.00 41.34 H new ATOM 0 HH21 ARG A 52 17.871 20.181 -6.554 1.00 55.31 H new ATOM 0 HH22 ARG A 52 16.913 20.898 -5.254 1.00 55.31 H new ATOM 789 N THR A 53 17.795 17.164 -12.172 1.00 64.42 N ATOM 790 CA THR A 53 18.594 16.083 -12.710 1.00 61.13 C ATOM 791 C THR A 53 18.300 14.760 -12.008 1.00 1.44 C ATOM 792 O THR A 53 18.063 13.772 -12.664 1.00 24.13 O ATOM 793 CB THR A 53 20.098 16.418 -12.630 1.00 42.51 C ATOM 794 OG1 THR A 53 20.331 17.671 -13.302 1.00 65.24 O ATOM 795 CG2 THR A 53 20.936 15.332 -13.296 1.00 10.31 C ATOM 0 H THR A 53 18.351 17.961 -11.862 1.00 64.42 H new ATOM 0 HA THR A 53 18.321 15.968 -13.759 1.00 61.13 H new ATOM 0 HB THR A 53 20.387 16.484 -11.581 1.00 42.51 H new ATOM 0 HG1 THR A 53 21.284 17.895 -13.256 1.00 65.24 H new ATOM 0 HG21 THR A 53 21.992 15.593 -13.226 1.00 10.31 H new ATOM 0 HG22 THR A 53 20.763 14.380 -12.794 1.00 10.31 H new ATOM 0 HG23 THR A 53 20.653 15.246 -14.345 1.00 10.31 H new ATOM 803 N ASN A 54 18.228 14.771 -10.679 1.00 23.13 N ATOM 804 CA ASN A 54 17.930 13.548 -9.912 1.00 13.23 C ATOM 805 C ASN A 54 16.484 13.177 -10.030 1.00 22.32 C ATOM 806 O ASN A 54 16.105 12.040 -9.781 1.00 64.04 O ATOM 807 CB ASN A 54 18.337 13.636 -8.443 1.00 31.53 C ATOM 808 CG ASN A 54 19.829 13.731 -8.239 1.00 43.33 C ATOM 809 OD1 ASN A 54 20.613 13.194 -9.026 1.00 15.13 O ATOM 810 ND2 ASN A 54 20.237 14.404 -7.198 1.00 22.32 N ATOM 0 H ASN A 54 18.370 15.604 -10.107 1.00 23.13 H new ATOM 0 HA ASN A 54 18.540 12.763 -10.358 1.00 13.23 H new ATOM 0 HB2 ASN A 54 17.860 14.507 -7.993 1.00 31.53 H new ATOM 0 HB3 ASN A 54 17.961 12.759 -7.916 1.00 31.53 H new ATOM 0 HD21 ASN A 54 21.235 14.500 -7.012 1.00 22.32 H new ATOM 0 HD22 ASN A 54 19.558 14.834 -6.570 1.00 22.32 H new ATOM 817 N ASP A 55 15.699 14.110 -10.498 1.00 3.11 N ATOM 818 CA ASP A 55 14.312 13.803 -10.673 1.00 64.22 C ATOM 819 C ASP A 55 13.991 13.115 -11.950 1.00 23.14 C ATOM 820 O ASP A 55 13.030 12.351 -11.988 1.00 40.44 O ATOM 821 CB ASP A 55 13.281 14.862 -10.240 1.00 43.11 C ATOM 822 CG ASP A 55 13.236 15.060 -8.725 1.00 42.43 C ATOM 823 OD1 ASP A 55 12.491 14.308 -8.045 1.00 54.32 O ATOM 824 OD2 ASP A 55 13.912 15.955 -8.183 1.00 13.41 O ATOM 0 H ASP A 55 15.985 15.055 -10.756 1.00 3.11 H new ATOM 0 HA ASP A 55 14.169 13.054 -9.894 1.00 64.22 H new ATOM 0 HB2 ASP A 55 13.519 15.812 -10.719 1.00 43.11 H new ATOM 0 HB3 ASP A 55 12.293 14.566 -10.593 1.00 43.11 H new ATOM 829 N CYS A 56 14.751 13.349 -13.039 1.00 54.43 N ATOM 830 CA CYS A 56 14.520 12.495 -14.176 1.00 21.43 C ATOM 831 C CYS A 56 15.026 11.156 -13.847 1.00 65.22 C ATOM 832 O CYS A 56 14.535 10.213 -14.302 1.00 43.43 O ATOM 833 CB CYS A 56 15.118 12.910 -15.517 1.00 42.12 C ATOM 834 SG CYS A 56 16.902 12.949 -15.804 1.00 74.11 S ATOM 0 H CYS A 56 15.469 14.066 -13.138 1.00 54.43 H new ATOM 0 HA CYS A 56 13.443 12.551 -14.337 1.00 21.43 H new ATOM 0 HB2 CYS A 56 14.694 12.244 -16.269 1.00 42.12 H new ATOM 0 HB3 CYS A 56 14.744 13.911 -15.731 1.00 42.12 H new ATOM 839 N ARG A 57 16.040 11.100 -13.048 1.00 60.44 N ATOM 840 CA ARG A 57 16.581 9.837 -12.571 1.00 43.34 C ATOM 841 C ARG A 57 15.530 9.005 -11.874 1.00 3.02 C ATOM 842 O ARG A 57 15.442 7.812 -12.111 1.00 2.03 O ATOM 843 CB ARG A 57 17.736 10.118 -11.659 1.00 53.32 C ATOM 844 CG ARG A 57 18.745 10.969 -12.322 1.00 62.34 C ATOM 845 CD ARG A 57 20.008 10.988 -11.532 1.00 1.01 C ATOM 846 NE ARG A 57 20.563 9.652 -11.338 1.00 13.42 N ATOM 847 CZ ARG A 57 21.268 9.305 -10.258 1.00 45.13 C ATOM 848 NH1 ARG A 57 21.586 10.232 -9.347 1.00 21.03 N ATOM 849 NH2 ARG A 57 21.664 8.050 -10.099 1.00 31.13 N ATOM 0 H ARG A 57 16.530 11.923 -12.697 1.00 60.44 H new ATOM 0 HA ARG A 57 16.923 9.255 -13.426 1.00 43.34 H new ATOM 0 HB2 ARG A 57 17.378 10.611 -10.755 1.00 53.32 H new ATOM 0 HB3 ARG A 57 18.195 9.179 -11.349 1.00 53.32 H new ATOM 0 HG2 ARG A 57 18.942 10.595 -13.326 1.00 62.34 H new ATOM 0 HG3 ARG A 57 18.361 11.983 -12.430 1.00 62.34 H new ATOM 0 HD2 ARG A 57 20.742 11.613 -12.040 1.00 1.01 H new ATOM 0 HD3 ARG A 57 19.819 11.445 -10.560 1.00 1.01 H new ATOM 0 HE ARG A 57 20.405 8.950 -12.061 1.00 13.42 H new ATOM 0 HH11 ARG A 57 21.290 11.199 -9.479 1.00 21.03 H new ATOM 0 HH12 ARG A 57 22.124 9.971 -8.521 1.00 21.03 H new ATOM 0 HH21 ARG A 57 21.430 7.349 -10.802 1.00 31.13 H new ATOM 0 HH22 ARG A 57 22.202 7.786 -9.274 1.00 31.13 H new ATOM 863 N GLN A 58 14.782 9.644 -10.983 1.00 71.32 N ATOM 864 CA GLN A 58 13.640 9.012 -10.280 1.00 23.20 C ATOM 865 C GLN A 58 12.773 8.300 -11.245 1.00 14.33 C ATOM 866 O GLN A 58 12.557 7.107 -11.157 1.00 65.41 O ATOM 867 CB GLN A 58 12.794 10.051 -9.582 1.00 10.41 C ATOM 868 CG GLN A 58 13.551 10.952 -8.616 1.00 24.51 C ATOM 869 CD GLN A 58 14.172 10.224 -7.443 1.00 55.10 C ATOM 870 OE1 GLN A 58 13.549 10.076 -6.402 1.00 31.52 O ATOM 871 NE2 GLN A 58 15.401 9.808 -7.580 1.00 5.03 N ATOM 0 H GLN A 58 14.939 10.616 -10.718 1.00 71.32 H new ATOM 0 HA GLN A 58 14.053 8.316 -9.550 1.00 23.20 H new ATOM 0 HB2 GLN A 58 12.314 10.674 -10.337 1.00 10.41 H new ATOM 0 HB3 GLN A 58 11.999 9.544 -9.035 1.00 10.41 H new ATOM 0 HG2 GLN A 58 14.337 11.473 -9.163 1.00 24.51 H new ATOM 0 HG3 GLN A 58 12.869 11.713 -8.237 1.00 24.51 H new ATOM 0 HE21 GLN A 58 15.891 9.948 -8.463 1.00 5.03 H new ATOM 0 HE22 GLN A 58 15.871 9.343 -6.804 1.00 5.03 H new ATOM 880 N THR A 59 12.255 9.081 -12.081 1.00 64.40 N ATOM 881 CA THR A 59 11.548 8.767 -13.202 1.00 34.32 C ATOM 882 C THR A 59 12.262 7.657 -14.002 1.00 62.40 C ATOM 883 O THR A 59 11.965 6.461 -13.851 1.00 61.01 O ATOM 884 CB THR A 59 11.625 10.161 -13.885 1.00 44.21 C ATOM 885 OG1 THR A 59 10.913 11.147 -13.130 1.00 10.24 O ATOM 886 CG2 THR A 59 11.324 10.251 -15.313 1.00 22.12 C ATOM 0 H THR A 59 12.336 10.091 -11.966 1.00 64.40 H new ATOM 0 HA THR A 59 10.542 8.369 -13.071 1.00 34.32 H new ATOM 0 HB THR A 59 12.695 10.369 -13.871 1.00 44.21 H new ATOM 0 HG1 THR A 59 11.548 11.786 -12.745 1.00 10.24 H new ATOM 0 HG21 THR A 59 11.421 11.286 -15.641 1.00 22.12 H new ATOM 0 HG22 THR A 59 12.021 9.627 -15.872 1.00 22.12 H new ATOM 0 HG23 THR A 59 10.305 9.907 -15.492 1.00 22.12 H new ATOM 894 N CYS A 60 13.225 8.051 -14.696 1.00 2.42 N ATOM 895 CA CYS A 60 13.787 7.288 -15.792 1.00 34.11 C ATOM 896 C CYS A 60 14.858 8.084 -16.437 1.00 54.12 C ATOM 897 O CYS A 60 14.570 9.157 -16.987 1.00 31.35 O ATOM 898 CB CYS A 60 12.768 7.080 -16.963 1.00 52.21 C ATOM 899 SG CYS A 60 11.153 6.303 -16.672 1.00 24.55 S ATOM 0 H CYS A 60 13.691 8.945 -14.542 1.00 2.42 H new ATOM 0 HA CYS A 60 14.108 6.341 -15.358 1.00 34.11 H new ATOM 0 HB2 CYS A 60 12.576 8.061 -17.397 1.00 52.21 H new ATOM 0 HB3 CYS A 60 13.274 6.488 -17.725 1.00 52.21 H new