USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 474 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 7 THR OG1 : rot 180:sc= -2.01! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 140:sc= -9.47! (180deg=-12.6!) USER MOD Single : A 48 MET CE :methyl -175:sc= 0 (180deg=-0.0531) USER MOD Single : A 52 ASN : amide:sc= -0.419 X(o=-0.42,f=0.0015) USER MOD Single : A 55 SER OG : rot 180:sc= -0.072 USER MOD Single : A 60 MET CE :methyl -173:sc= -0.0276 (180deg=-0.0618) USER MOD Single : A 62 MET CE :methyl 158:sc= -0.0248 (180deg=-0.863) USER MOD Single : A 66 THR OG1 : rot 97:sc= 1.06 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -124:sc= -0.108 (180deg=-0.747) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -6.072 8.396 -6.607 1.00 0.00 N ATOM 110 CA THR A 7 -5.421 7.163 -6.086 1.00 0.00 C ATOM 111 C THR A 7 -5.964 6.847 -4.689 1.00 0.00 C ATOM 112 O THR A 7 -6.305 7.742 -3.941 1.00 0.00 O ATOM 113 CB THR A 7 -3.910 7.385 -6.005 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.298 6.258 -5.394 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.621 8.637 -5.177 1.00 0.00 C ATOM 0 HA THR A 7 -5.634 6.329 -6.755 1.00 0.00 H new ATOM 0 HB THR A 7 -3.508 7.516 -7.010 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.330 6.399 -5.343 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.544 8.795 -5.120 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.090 9.501 -5.648 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.023 8.509 -4.172 1.00 0.00 H new ATOM 123 N PRO A 8 -6.020 5.577 -4.379 1.00 0.00 N ATOM 124 CA PRO A 8 -6.508 5.094 -3.072 1.00 0.00 C ATOM 125 C PRO A 8 -5.435 5.301 -1.998 1.00 0.00 C ATOM 126 O PRO A 8 -4.334 5.722 -2.298 1.00 0.00 O ATOM 127 CB PRO A 8 -6.767 3.603 -3.317 1.00 0.00 C ATOM 128 CG PRO A 8 -5.903 3.204 -4.536 1.00 0.00 C ATOM 129 CD PRO A 8 -5.599 4.503 -5.301 1.00 0.00 C ATOM 0 HA PRO A 8 -7.395 5.619 -2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.498 3.013 -2.441 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.823 3.419 -3.513 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.981 2.718 -4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.433 2.495 -5.172 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.540 4.582 -5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.148 4.548 -6.242 1.00 0.00 H new ATOM 137 N PRO A 9 -5.783 4.992 -0.774 1.00 0.00 N ATOM 138 CA PRO A 9 -4.862 5.131 0.366 1.00 0.00 C ATOM 139 C PRO A 9 -3.789 4.038 0.326 1.00 0.00 C ATOM 140 O PRO A 9 -3.503 3.476 -0.712 1.00 0.00 O ATOM 141 CB PRO A 9 -5.773 4.984 1.591 1.00 0.00 C ATOM 142 CG PRO A 9 -7.035 4.238 1.104 1.00 0.00 C ATOM 143 CD PRO A 9 -7.121 4.475 -0.416 1.00 0.00 C ATOM 0 HA PRO A 9 -4.319 6.076 0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.273 4.427 2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.032 5.960 2.002 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.967 3.173 1.328 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.926 4.613 1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.349 3.553 -0.951 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.905 5.190 -0.665 1.00 0.00 H new ATOM 151 N ALA A 10 -3.179 3.747 1.441 1.00 0.00 N ATOM 152 CA ALA A 10 -2.109 2.710 1.459 1.00 0.00 C ATOM 153 C ALA A 10 -2.719 1.309 1.364 1.00 0.00 C ATOM 154 O ALA A 10 -2.847 0.748 0.294 1.00 0.00 O ATOM 155 CB ALA A 10 -1.315 2.825 2.760 1.00 0.00 C ATOM 0 H ALA A 10 -3.375 4.183 2.342 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.452 2.868 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.531 2.068 2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.864 3.815 2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.983 2.674 3.608 1.00 0.00 H new ATOM 161 N ALA A 11 -3.076 0.733 2.479 1.00 0.00 N ATOM 162 CA ALA A 11 -3.655 -0.641 2.464 1.00 0.00 C ATOM 163 C ALA A 11 -4.632 -0.799 1.294 1.00 0.00 C ATOM 164 O ALA A 11 -4.449 -1.642 0.438 1.00 0.00 O ATOM 165 CB ALA A 11 -4.391 -0.896 3.782 1.00 0.00 C ATOM 0 H ALA A 11 -2.991 1.156 3.403 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.847 -1.363 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.815 -1.900 3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.691 -0.805 4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.191 -0.165 3.899 1.00 0.00 H new ATOM 171 N VAL A 12 -5.670 -0.010 1.250 1.00 0.00 N ATOM 172 CA VAL A 12 -6.653 -0.137 0.135 1.00 0.00 C ATOM 173 C VAL A 12 -5.906 -0.300 -1.192 1.00 0.00 C ATOM 174 O VAL A 12 -6.115 -1.249 -1.919 1.00 0.00 O ATOM 175 CB VAL A 12 -7.532 1.112 0.082 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.551 0.974 -1.051 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.270 1.267 1.414 1.00 0.00 C ATOM 0 H VAL A 12 -5.881 0.715 1.935 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.281 -1.012 0.304 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.909 1.988 -0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.177 1.865 -1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.027 0.859 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.176 0.099 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.898 2.157 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.893 0.390 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.545 1.365 2.222 1.00 0.00 H new ATOM 187 N LEU A 13 -5.029 0.615 -1.511 1.00 0.00 N ATOM 188 CA LEU A 13 -4.269 0.499 -2.787 1.00 0.00 C ATOM 189 C LEU A 13 -3.488 -0.809 -2.777 1.00 0.00 C ATOM 190 O LEU A 13 -3.303 -1.448 -3.793 1.00 0.00 O ATOM 191 CB LEU A 13 -3.294 1.668 -2.910 1.00 0.00 C ATOM 192 CG LEU A 13 -2.837 1.820 -4.360 1.00 0.00 C ATOM 193 CD1 LEU A 13 -2.327 3.245 -4.584 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.707 0.831 -4.643 1.00 0.00 C ATOM 0 H LEU A 13 -4.808 1.434 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.960 0.515 -3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.772 2.588 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.432 1.502 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.675 1.620 -5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.000 3.356 -5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.128 3.955 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.489 3.441 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.380 0.938 -5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.870 1.034 -3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.064 -0.186 -4.479 1.00 0.00 H new ATOM 206 N LEU A 14 -3.039 -1.214 -1.627 1.00 0.00 N ATOM 207 CA LEU A 14 -2.277 -2.486 -1.532 1.00 0.00 C ATOM 208 C LEU A 14 -3.217 -3.641 -1.871 1.00 0.00 C ATOM 209 O LEU A 14 -2.967 -4.411 -2.777 1.00 0.00 O ATOM 210 CB LEU A 14 -1.738 -2.647 -0.111 1.00 0.00 C ATOM 211 CG LEU A 14 -0.268 -2.220 -0.069 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.097 -0.890 -0.806 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.172 -2.052 1.384 1.00 0.00 C ATOM 0 H LEU A 14 -3.167 -0.718 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.438 -2.480 -2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.323 -2.042 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.836 -3.684 0.211 1.00 0.00 H new ATOM 0 HG LEU A 14 0.343 -2.983 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.950 -0.589 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.410 -1.006 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.709 -0.127 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.218 -1.748 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.441 -1.290 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.054 -2.998 1.912 1.00 0.00 H new ATOM 225 N LYS A 15 -4.315 -3.754 -1.172 1.00 0.00 N ATOM 226 CA LYS A 15 -5.278 -4.840 -1.481 1.00 0.00 C ATOM 227 C LYS A 15 -5.689 -4.702 -2.946 1.00 0.00 C ATOM 228 O LYS A 15 -6.129 -5.639 -3.577 1.00 0.00 O ATOM 229 CB LYS A 15 -6.511 -4.708 -0.584 1.00 0.00 C ATOM 230 CG LYS A 15 -7.375 -5.964 -0.710 1.00 0.00 C ATOM 231 CD LYS A 15 -8.848 -5.560 -0.802 1.00 0.00 C ATOM 232 CE LYS A 15 -9.637 -6.242 0.319 1.00 0.00 C ATOM 233 NZ LYS A 15 -10.921 -5.517 0.530 1.00 0.00 N ATOM 0 H LYS A 15 -4.583 -3.140 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.822 -5.814 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.205 -4.567 0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.088 -3.828 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.086 -6.530 -1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.218 -6.615 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.945 -4.477 -0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.254 -5.845 -1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.832 -7.283 0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.053 -6.246 1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.459 -5.978 1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.723 -4.531 0.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.478 -5.535 -0.348 1.00 0.00 H new ATOM 247 N LYS A 16 -5.535 -3.528 -3.494 1.00 0.00 N ATOM 248 CA LYS A 16 -5.893 -3.323 -4.920 1.00 0.00 C ATOM 249 C LYS A 16 -4.821 -3.955 -5.802 1.00 0.00 C ATOM 250 O LYS A 16 -4.995 -5.021 -6.359 1.00 0.00 O ATOM 251 CB LYS A 16 -5.989 -1.824 -5.220 1.00 0.00 C ATOM 252 CG LYS A 16 -6.351 -1.623 -6.693 1.00 0.00 C ATOM 253 CD LYS A 16 -5.723 -0.323 -7.202 1.00 0.00 C ATOM 254 CE LYS A 16 -4.805 -0.628 -8.387 1.00 0.00 C ATOM 255 NZ LYS A 16 -4.524 0.631 -9.133 1.00 0.00 N ATOM 0 H LYS A 16 -5.176 -2.703 -3.013 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.857 -3.789 -5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.743 -1.362 -4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.040 -1.336 -4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.995 -2.467 -7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.434 -1.586 -6.810 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.503 0.376 -7.503 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.156 0.156 -6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.873 -1.071 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.275 -1.357 -9.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.900 0.425 -9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.417 1.035 -9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.059 1.313 -8.500 1.00 0.00 H new ATOM 269 N ALA A 17 -3.715 -3.288 -5.936 1.00 0.00 N ATOM 270 CA ALA A 17 -2.606 -3.813 -6.787 1.00 0.00 C ATOM 271 C ALA A 17 -1.988 -5.079 -6.174 1.00 0.00 C ATOM 272 O ALA A 17 -1.930 -6.117 -6.801 1.00 0.00 O ATOM 273 CB ALA A 17 -1.525 -2.739 -6.917 1.00 0.00 C ATOM 0 H ALA A 17 -3.525 -2.391 -5.489 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.012 -4.068 -7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.711 -3.115 -7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.951 -1.848 -7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.141 -2.488 -5.928 1.00 0.00 H new ATOM 279 N ALA A 18 -1.499 -4.990 -4.966 1.00 0.00 N ATOM 280 CA ALA A 18 -0.853 -6.174 -4.323 1.00 0.00 C ATOM 281 C ALA A 18 -1.908 -7.173 -3.854 1.00 0.00 C ATOM 282 O ALA A 18 -1.590 -8.207 -3.300 1.00 0.00 O ATOM 283 CB ALA A 18 -0.022 -5.712 -3.126 1.00 0.00 C ATOM 0 H ALA A 18 -1.519 -4.146 -4.394 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.210 -6.662 -5.055 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.450 -6.575 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.747 -5.017 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.669 -5.214 -2.404 1.00 0.00 H new ATOM 289 N GLY A 19 -3.159 -6.884 -4.069 1.00 0.00 N ATOM 290 CA GLY A 19 -4.217 -7.836 -3.632 1.00 0.00 C ATOM 291 C GLY A 19 -4.088 -9.137 -4.426 1.00 0.00 C ATOM 292 O GLY A 19 -4.726 -10.119 -4.118 1.00 0.00 O ATOM 0 H GLY A 19 -3.494 -6.036 -4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.123 -8.037 -2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.203 -7.398 -3.788 1.00 0.00 H new ATOM 447 N LYS A 31 -0.005 -12.276 5.441 1.00 0.00 N ATOM 448 CA LYS A 31 1.127 -12.403 4.480 1.00 0.00 C ATOM 449 C LYS A 31 0.663 -13.166 3.240 1.00 0.00 C ATOM 450 O LYS A 31 1.084 -14.277 2.986 1.00 0.00 O ATOM 451 CB LYS A 31 2.286 -13.155 5.141 1.00 0.00 C ATOM 452 CG LYS A 31 1.741 -14.131 6.186 1.00 0.00 C ATOM 453 CD LYS A 31 2.869 -15.048 6.664 1.00 0.00 C ATOM 454 CE LYS A 31 3.446 -14.511 7.975 1.00 0.00 C ATOM 455 NZ LYS A 31 4.917 -14.323 7.831 1.00 0.00 N ATOM 0 HA LYS A 31 1.464 -11.408 4.189 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.857 -13.697 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.969 -12.448 5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.322 -13.581 7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.932 -14.724 5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.492 -16.060 6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.651 -15.104 5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.971 -13.564 8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.235 -15.205 8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.309 -13.958 8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.363 -15.235 7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.107 -13.645 7.066 1.00 0.00 H new ATOM 469 N VAL A 32 -0.196 -12.573 2.462 1.00 0.00 N ATOM 470 CA VAL A 32 -0.686 -13.257 1.233 1.00 0.00 C ATOM 471 C VAL A 32 -0.321 -12.420 0.005 1.00 0.00 C ATOM 472 O VAL A 32 -0.577 -12.803 -1.119 1.00 0.00 O ATOM 473 CB VAL A 32 -2.204 -13.422 1.310 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.544 -14.565 2.268 1.00 0.00 C ATOM 475 CG2 VAL A 32 -2.831 -12.124 1.824 1.00 0.00 C ATOM 0 H VAL A 32 -0.581 -11.642 2.623 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.221 -14.239 1.153 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.596 -13.649 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.626 -14.683 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.096 -15.490 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.153 -14.337 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.913 -12.240 1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.439 -11.898 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.588 -11.308 1.143 1.00 0.00 H new ATOM 485 N ALA A 33 0.279 -11.284 0.216 1.00 0.00 N ATOM 486 CA ALA A 33 0.671 -10.415 -0.931 1.00 0.00 C ATOM 487 C ALA A 33 2.067 -9.844 -0.671 1.00 0.00 C ATOM 488 O ALA A 33 2.215 -8.772 -0.120 1.00 0.00 O ATOM 489 CB ALA A 33 -0.334 -9.267 -1.068 1.00 0.00 C ATOM 0 H ALA A 33 0.517 -10.916 1.137 1.00 0.00 H new ATOM 0 HA ALA A 33 0.678 -11.000 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.048 -8.631 -1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.330 -9.674 -1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.340 -8.678 -0.151 1.00 0.00 H new ATOM 495 N THR A 34 3.093 -10.551 -1.055 1.00 0.00 N ATOM 496 CA THR A 34 4.473 -10.043 -0.812 1.00 0.00 C ATOM 497 C THR A 34 5.019 -9.390 -2.082 1.00 0.00 C ATOM 498 O THR A 34 4.862 -9.895 -3.176 1.00 0.00 O ATOM 499 CB THR A 34 5.382 -11.207 -0.414 1.00 0.00 C ATOM 500 OG1 THR A 34 4.901 -11.792 0.787 1.00 0.00 O ATOM 501 CG2 THR A 34 6.807 -10.690 -0.197 1.00 0.00 C ATOM 0 H THR A 34 3.037 -11.455 -1.525 1.00 0.00 H new ATOM 0 HA THR A 34 4.445 -9.305 -0.010 1.00 0.00 H new ATOM 0 HB THR A 34 5.385 -11.955 -1.207 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.482 -12.539 1.042 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.456 -11.519 0.087 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.175 -10.240 -1.119 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.806 -9.942 0.596 1.00 0.00 H new ATOM 509 N ILE A 35 5.669 -8.268 -1.938 1.00 0.00 N ATOM 510 CA ILE A 35 6.241 -7.569 -3.122 1.00 0.00 C ATOM 511 C ILE A 35 7.590 -6.969 -2.737 1.00 0.00 C ATOM 512 O ILE A 35 7.885 -6.785 -1.576 1.00 0.00 O ATOM 513 CB ILE A 35 5.310 -6.436 -3.555 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.767 -5.726 -2.312 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.144 -7.009 -4.365 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.616 -4.802 -2.710 1.00 0.00 C ATOM 0 H ILE A 35 5.829 -7.803 -1.045 1.00 0.00 H new ATOM 0 HA ILE A 35 6.357 -8.280 -3.940 1.00 0.00 H new ATOM 0 HB ILE A 35 5.862 -5.727 -4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.422 -6.460 -1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.560 -5.151 -1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.482 -6.199 -4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.530 -7.517 -5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.589 -7.719 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.231 -4.298 -1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.975 -4.060 -3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.820 -5.389 -3.168 1.00 0.00 H new ATOM 528 N LYS A 36 8.409 -6.651 -3.692 1.00 0.00 N ATOM 529 CA LYS A 36 9.723 -6.050 -3.351 1.00 0.00 C ATOM 530 C LYS A 36 9.547 -4.540 -3.198 1.00 0.00 C ATOM 531 O LYS A 36 8.591 -3.966 -3.682 1.00 0.00 O ATOM 532 CB LYS A 36 10.731 -6.347 -4.463 1.00 0.00 C ATOM 533 CG LYS A 36 11.550 -7.586 -4.090 1.00 0.00 C ATOM 534 CD LYS A 36 12.917 -7.522 -4.773 1.00 0.00 C ATOM 535 CE LYS A 36 13.711 -8.786 -4.440 1.00 0.00 C ATOM 536 NZ LYS A 36 15.092 -8.411 -4.028 1.00 0.00 N ATOM 0 H LYS A 36 8.229 -6.779 -4.688 1.00 0.00 H new ATOM 0 HA LYS A 36 10.095 -6.474 -2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.210 -6.512 -5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.391 -5.492 -4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.675 -7.640 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.022 -8.489 -4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.793 -7.431 -5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.462 -6.639 -4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.218 -9.337 -3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.745 -9.446 -5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.632 -9.270 -3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.560 -7.903 -4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.050 -7.798 -3.189 1.00 0.00 H new ATOM 550 N ARG A 37 10.456 -3.887 -2.528 1.00 0.00 N ATOM 551 CA ARG A 37 10.325 -2.414 -2.347 1.00 0.00 C ATOM 552 C ARG A 37 9.948 -1.766 -3.677 1.00 0.00 C ATOM 553 O ARG A 37 9.361 -0.704 -3.718 1.00 0.00 O ATOM 554 CB ARG A 37 11.656 -1.836 -1.858 1.00 0.00 C ATOM 555 CG ARG A 37 11.974 -2.393 -0.469 1.00 0.00 C ATOM 556 CD ARG A 37 13.014 -1.501 0.215 1.00 0.00 C ATOM 557 NE ARG A 37 14.155 -1.267 -0.713 1.00 0.00 N ATOM 558 CZ ARG A 37 15.120 -0.458 -0.370 1.00 0.00 C ATOM 559 NH1 ARG A 37 15.977 -0.817 0.547 1.00 0.00 N ATOM 560 NH2 ARG A 37 15.227 0.709 -0.941 1.00 0.00 N ATOM 0 H ARG A 37 11.281 -4.308 -2.100 1.00 0.00 H new ATOM 0 HA ARG A 37 9.548 -2.210 -1.610 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.454 -2.091 -2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.601 -0.748 -1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.066 -2.438 0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.352 -3.412 -0.552 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.563 -0.551 0.500 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.368 -1.974 1.131 1.00 0.00 H new ATOM 0 HE ARG A 37 14.182 -1.739 -1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.892 -1.729 0.995 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.731 -0.185 0.815 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.556 0.990 -1.656 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.981 1.341 -0.673 1.00 0.00 H new ATOM 574 N ASP A 38 10.284 -2.397 -4.759 1.00 0.00 N ATOM 575 CA ASP A 38 9.960 -1.828 -6.099 1.00 0.00 C ATOM 576 C ASP A 38 8.452 -1.587 -6.222 1.00 0.00 C ATOM 577 O ASP A 38 8.019 -0.649 -6.863 1.00 0.00 O ATOM 578 CB ASP A 38 10.404 -2.808 -7.186 1.00 0.00 C ATOM 579 CG ASP A 38 11.666 -2.278 -7.867 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.643 -1.144 -8.314 1.00 0.00 O ATOM 581 OD2 ASP A 38 12.636 -3.015 -7.927 1.00 0.00 O ATOM 0 H ASP A 38 10.774 -3.291 -4.778 1.00 0.00 H new ATOM 0 HA ASP A 38 10.483 -0.879 -6.217 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.598 -3.788 -6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.609 -2.938 -7.920 1.00 0.00 H new ATOM 586 N LYS A 39 7.643 -2.424 -5.631 1.00 0.00 N ATOM 587 CA LYS A 39 6.170 -2.234 -5.739 1.00 0.00 C ATOM 588 C LYS A 39 5.696 -1.218 -4.708 1.00 0.00 C ATOM 589 O LYS A 39 5.055 -0.241 -5.035 1.00 0.00 O ATOM 590 CB LYS A 39 5.489 -3.557 -5.464 1.00 0.00 C ATOM 591 CG LYS A 39 4.793 -4.059 -6.731 1.00 0.00 C ATOM 592 CD LYS A 39 5.783 -4.038 -7.899 1.00 0.00 C ATOM 593 CE LYS A 39 5.716 -5.369 -8.651 1.00 0.00 C ATOM 594 NZ LYS A 39 5.936 -5.129 -10.107 1.00 0.00 N ATOM 0 H LYS A 39 7.939 -3.229 -5.079 1.00 0.00 H new ATOM 0 HA LYS A 39 5.925 -1.875 -6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.222 -4.290 -5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.761 -3.441 -4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.418 -5.071 -6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.932 -3.431 -6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.548 -3.215 -8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.794 -3.868 -7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.471 -6.055 -8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.746 -5.841 -8.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.891 -6.033 -10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.200 -4.489 -10.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.871 -4.697 -10.250 1.00 0.00 H new ATOM 608 N VAL A 40 6.011 -1.426 -3.461 1.00 0.00 N ATOM 609 CA VAL A 40 5.571 -0.447 -2.438 1.00 0.00 C ATOM 610 C VAL A 40 6.258 0.872 -2.759 1.00 0.00 C ATOM 611 O VAL A 40 5.823 1.933 -2.357 1.00 0.00 O ATOM 612 CB VAL A 40 5.986 -0.922 -1.045 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.791 0.213 -0.040 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.122 -2.118 -0.636 1.00 0.00 C ATOM 0 H VAL A 40 6.547 -2.221 -3.112 1.00 0.00 H new ATOM 0 HA VAL A 40 4.487 -0.336 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 40 7.035 -1.218 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.087 -0.125 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.405 1.066 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.742 0.509 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.417 -2.457 0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.073 -1.821 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.260 -2.928 -1.352 1.00 0.00 H new ATOM 624 N ARG A 41 7.316 0.808 -3.521 1.00 0.00 N ATOM 625 CA ARG A 41 8.017 2.060 -3.918 1.00 0.00 C ATOM 626 C ARG A 41 7.187 2.742 -5.003 1.00 0.00 C ATOM 627 O ARG A 41 6.752 3.867 -4.861 1.00 0.00 O ATOM 628 CB ARG A 41 9.413 1.733 -4.462 1.00 0.00 C ATOM 629 CG ARG A 41 10.044 2.994 -5.056 1.00 0.00 C ATOM 630 CD ARG A 41 11.127 2.598 -6.062 1.00 0.00 C ATOM 631 NE ARG A 41 12.464 2.695 -5.413 1.00 0.00 N ATOM 632 CZ ARG A 41 13.443 1.933 -5.822 1.00 0.00 C ATOM 633 NH1 ARG A 41 13.531 1.604 -7.080 1.00 0.00 N ATOM 634 NH2 ARG A 41 14.331 1.500 -4.970 1.00 0.00 N ATOM 0 H ARG A 41 7.723 -0.054 -3.884 1.00 0.00 H new ATOM 0 HA ARG A 41 8.130 2.716 -3.055 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.043 1.342 -3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.344 0.956 -5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.281 3.599 -5.546 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.475 3.606 -4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.955 1.582 -6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.085 3.251 -6.934 1.00 0.00 H new ATOM 0 HE ARG A 41 12.615 3.355 -4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.835 1.942 -7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.295 1.009 -7.399 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.261 1.756 -3.985 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.096 0.905 -5.289 1.00 0.00 H new ATOM 648 N GLU A 42 6.950 2.047 -6.083 1.00 0.00 N ATOM 649 CA GLU A 42 6.129 2.624 -7.182 1.00 0.00 C ATOM 650 C GLU A 42 4.730 2.894 -6.640 1.00 0.00 C ATOM 651 O GLU A 42 4.111 3.900 -6.930 1.00 0.00 O ATOM 652 CB GLU A 42 6.064 1.625 -8.345 1.00 0.00 C ATOM 653 CG GLU A 42 5.069 0.506 -8.022 1.00 0.00 C ATOM 654 CD GLU A 42 5.095 -0.538 -9.140 1.00 0.00 C ATOM 655 OE1 GLU A 42 5.832 -0.341 -10.091 1.00 0.00 O ATOM 656 OE2 GLU A 42 4.376 -1.517 -9.026 1.00 0.00 O ATOM 0 H GLU A 42 7.292 1.101 -6.250 1.00 0.00 H new ATOM 0 HA GLU A 42 6.569 3.553 -7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.763 2.138 -9.259 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.052 1.202 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.325 0.041 -7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.065 0.917 -7.917 1.00 0.00 H new ATOM 663 N ILE A 43 4.236 1.988 -5.847 1.00 0.00 N ATOM 664 CA ILE A 43 2.882 2.148 -5.255 1.00 0.00 C ATOM 665 C ILE A 43 2.818 3.471 -4.489 1.00 0.00 C ATOM 666 O ILE A 43 1.966 4.301 -4.737 1.00 0.00 O ATOM 667 CB ILE A 43 2.628 0.976 -4.301 1.00 0.00 C ATOM 668 CG1 ILE A 43 2.280 -0.273 -5.115 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.470 1.308 -3.354 1.00 0.00 C ATOM 670 CD1 ILE A 43 1.002 -0.021 -5.916 1.00 0.00 C ATOM 0 H ILE A 43 4.720 1.131 -5.580 1.00 0.00 H new ATOM 0 HA ILE A 43 2.123 2.156 -6.037 1.00 0.00 H new ATOM 0 HB ILE A 43 3.527 0.794 -3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.101 -0.521 -5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.143 -1.126 -4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.298 0.468 -2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.719 2.195 -2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.568 1.497 -3.935 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.754 -0.910 -6.495 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.184 0.207 -5.233 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.156 0.821 -6.591 1.00 0.00 H new ATOM 682 N ALA A 44 3.713 3.679 -3.564 1.00 0.00 N ATOM 683 CA ALA A 44 3.699 4.952 -2.793 1.00 0.00 C ATOM 684 C ALA A 44 3.929 6.116 -3.757 1.00 0.00 C ATOM 685 O ALA A 44 3.282 7.142 -3.676 1.00 0.00 O ATOM 686 CB ALA A 44 4.810 4.927 -1.742 1.00 0.00 C ATOM 0 H ALA A 44 4.452 3.024 -3.309 1.00 0.00 H new ATOM 0 HA ALA A 44 2.738 5.072 -2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.799 5.860 -1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.649 4.090 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.775 4.813 -2.235 1.00 0.00 H new ATOM 692 N GLU A 45 4.834 5.958 -4.686 1.00 0.00 N ATOM 693 CA GLU A 45 5.086 7.051 -5.662 1.00 0.00 C ATOM 694 C GLU A 45 3.772 7.375 -6.364 1.00 0.00 C ATOM 695 O GLU A 45 3.489 8.507 -6.700 1.00 0.00 O ATOM 696 CB GLU A 45 6.126 6.594 -6.690 1.00 0.00 C ATOM 697 CG GLU A 45 7.253 7.626 -6.776 1.00 0.00 C ATOM 698 CD GLU A 45 8.392 7.068 -7.632 1.00 0.00 C ATOM 699 OE1 GLU A 45 9.270 6.431 -7.073 1.00 0.00 O ATOM 700 OE2 GLU A 45 8.368 7.288 -8.832 1.00 0.00 O ATOM 0 H GLU A 45 5.406 5.122 -4.809 1.00 0.00 H new ATOM 0 HA GLU A 45 5.466 7.935 -5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.530 5.622 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.657 6.471 -7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.879 8.553 -7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.618 7.865 -5.777 1.00 0.00 H new ATOM 707 N LEU A 46 2.960 6.378 -6.570 1.00 0.00 N ATOM 708 CA LEU A 46 1.644 6.599 -7.230 1.00 0.00 C ATOM 709 C LEU A 46 0.757 7.429 -6.301 1.00 0.00 C ATOM 710 O LEU A 46 0.262 8.475 -6.666 1.00 0.00 O ATOM 711 CB LEU A 46 0.974 5.250 -7.496 1.00 0.00 C ATOM 712 CG LEU A 46 0.881 5.014 -9.005 1.00 0.00 C ATOM 713 CD1 LEU A 46 1.394 3.611 -9.335 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.580 5.140 -9.448 1.00 0.00 C ATOM 0 H LEU A 46 3.153 5.411 -6.307 1.00 0.00 H new ATOM 0 HA LEU A 46 1.788 7.124 -8.174 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.546 4.449 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.022 5.233 -7.053 1.00 0.00 H new ATOM 0 HG LEU A 46 1.487 5.754 -9.528 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.328 3.443 -10.410 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.432 3.519 -9.017 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.788 2.870 -8.814 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.650 4.972 -10.523 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.184 4.399 -8.925 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.947 6.139 -9.212 1.00 0.00 H new ATOM 726 N LYS A 47 0.550 6.956 -5.100 1.00 0.00 N ATOM 727 CA LYS A 47 -0.303 7.697 -4.127 1.00 0.00 C ATOM 728 C LYS A 47 0.497 8.828 -3.462 1.00 0.00 C ATOM 729 O LYS A 47 0.091 9.372 -2.456 1.00 0.00 O ATOM 730 CB LYS A 47 -0.794 6.728 -3.050 1.00 0.00 C ATOM 731 CG LYS A 47 0.362 6.379 -2.110 1.00 0.00 C ATOM 732 CD LYS A 47 -0.019 5.167 -1.260 1.00 0.00 C ATOM 733 CE LYS A 47 0.332 3.886 -2.016 1.00 0.00 C ATOM 734 NZ LYS A 47 -0.858 2.991 -2.054 1.00 0.00 N ATOM 0 H LYS A 47 0.939 6.081 -4.750 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.150 8.130 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.611 7.178 -2.487 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.186 5.822 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.261 6.163 -2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.592 7.229 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.510 5.197 -0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.085 5.188 -1.034 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.653 4.125 -3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.166 3.380 -1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.925 2.542 -2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.764 2.257 -1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.718 3.549 -1.875 1.00 0.00 H new ATOM 748 N MET A 48 1.638 9.171 -3.993 1.00 0.00 N ATOM 749 CA MET A 48 2.462 10.244 -3.362 1.00 0.00 C ATOM 750 C MET A 48 1.766 11.610 -3.455 1.00 0.00 C ATOM 751 O MET A 48 1.678 12.317 -2.473 1.00 0.00 O ATOM 752 CB MET A 48 3.816 10.321 -4.072 1.00 0.00 C ATOM 753 CG MET A 48 4.934 10.431 -3.035 1.00 0.00 C ATOM 754 SD MET A 48 5.857 11.965 -3.304 1.00 0.00 S ATOM 755 CE MET A 48 7.507 11.298 -2.973 1.00 0.00 C ATOM 0 H MET A 48 2.036 8.756 -4.835 1.00 0.00 H new ATOM 0 HA MET A 48 2.596 9.998 -2.309 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.965 9.435 -4.689 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.839 11.182 -4.739 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.514 10.418 -2.029 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.602 9.573 -3.113 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.238 12.106 -2.997 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.519 10.827 -1.990 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.760 10.558 -3.733 1.00 0.00 H new ATOM 765 N PRO A 49 1.302 11.950 -4.631 1.00 0.00 N ATOM 766 CA PRO A 49 0.625 13.237 -4.865 1.00 0.00 C ATOM 767 C PRO A 49 -0.804 13.210 -4.310 1.00 0.00 C ATOM 768 O PRO A 49 -1.561 14.146 -4.470 1.00 0.00 O ATOM 769 CB PRO A 49 0.629 13.374 -6.390 1.00 0.00 C ATOM 770 CG PRO A 49 0.796 11.945 -6.956 1.00 0.00 C ATOM 771 CD PRO A 49 1.400 11.092 -5.826 1.00 0.00 C ATOM 0 HA PRO A 49 1.116 14.074 -4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.299 13.825 -6.742 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.443 14.020 -6.720 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.164 11.540 -7.276 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.448 11.948 -7.830 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.850 10.160 -5.693 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.435 10.824 -6.039 1.00 0.00 H new ATOM 779 N ASP A 50 -1.172 12.148 -3.645 1.00 0.00 N ATOM 780 CA ASP A 50 -2.544 12.064 -3.070 1.00 0.00 C ATOM 781 C ASP A 50 -2.460 11.496 -1.652 1.00 0.00 C ATOM 782 O ASP A 50 -3.457 11.150 -1.051 1.00 0.00 O ATOM 783 CB ASP A 50 -3.407 11.146 -3.934 1.00 0.00 C ATOM 784 CG ASP A 50 -4.782 11.785 -4.142 1.00 0.00 C ATOM 785 OD1 ASP A 50 -5.645 11.574 -3.305 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.948 12.476 -5.134 1.00 0.00 O ATOM 0 H ASP A 50 -0.581 11.335 -3.475 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.990 13.058 -3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.924 10.975 -4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.515 10.173 -3.454 1.00 0.00 H new ATOM 791 N LEU A 51 -1.274 11.396 -1.114 1.00 0.00 N ATOM 792 CA LEU A 51 -1.124 10.851 0.264 1.00 0.00 C ATOM 793 C LEU A 51 -0.416 11.883 1.144 1.00 0.00 C ATOM 794 O LEU A 51 0.372 12.678 0.671 1.00 0.00 O ATOM 795 CB LEU A 51 -0.292 9.567 0.215 1.00 0.00 C ATOM 796 CG LEU A 51 -0.406 8.831 1.550 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.823 8.278 1.704 1.00 0.00 C ATOM 798 CD2 LEU A 51 0.597 7.677 1.585 1.00 0.00 C ATOM 0 H LEU A 51 -0.403 11.668 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.108 10.632 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.640 8.927 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.751 9.805 0.007 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.192 9.522 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.907 7.753 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.539 9.100 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.035 7.587 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.515 7.153 2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.384 6.985 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.608 8.070 1.473 1.00 0.00 H new ATOM 810 N ASN A 52 -0.688 11.875 2.420 1.00 0.00 N ATOM 811 CA ASN A 52 -0.024 12.854 3.327 1.00 0.00 C ATOM 812 C ASN A 52 1.437 12.449 3.534 1.00 0.00 C ATOM 813 O ASN A 52 2.188 13.124 4.211 1.00 0.00 O ATOM 814 CB ASN A 52 -0.743 12.868 4.676 1.00 0.00 C ATOM 815 CG ASN A 52 -2.227 13.180 4.464 1.00 0.00 C ATOM 816 OD1 ASN A 52 -2.636 14.321 4.542 1.00 0.00 O ATOM 817 ND2 ASN A 52 -3.053 12.207 4.195 1.00 0.00 N ATOM 0 H ASN A 52 -1.340 11.235 2.873 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.067 13.848 2.881 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.631 11.902 5.169 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.294 13.615 5.331 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.043 12.404 4.050 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.709 11.249 4.130 1.00 0.00 H new ATOM 824 N ALA A 53 1.847 11.351 2.958 1.00 0.00 N ATOM 825 CA ALA A 53 3.257 10.901 3.123 1.00 0.00 C ATOM 826 C ALA A 53 4.199 12.099 2.984 1.00 0.00 C ATOM 827 O ALA A 53 3.848 13.117 2.420 1.00 0.00 O ATOM 828 CB ALA A 53 3.592 9.865 2.047 1.00 0.00 C ATOM 0 H ALA A 53 1.264 10.746 2.379 1.00 0.00 H new ATOM 0 HA ALA A 53 3.380 10.455 4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.624 9.536 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.924 9.009 2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.467 10.311 1.061 1.00 0.00 H new ATOM 834 N ALA A 54 5.392 11.986 3.499 1.00 0.00 N ATOM 835 CA ALA A 54 6.360 13.113 3.403 1.00 0.00 C ATOM 836 C ALA A 54 7.348 12.847 2.264 1.00 0.00 C ATOM 837 O ALA A 54 7.828 13.761 1.621 1.00 0.00 O ATOM 838 CB ALA A 54 7.124 13.239 4.722 1.00 0.00 C ATOM 0 H ALA A 54 5.739 11.158 3.984 1.00 0.00 H new ATOM 0 HA ALA A 54 5.820 14.039 3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.834 14.064 4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.421 13.431 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.663 12.312 4.920 1.00 0.00 H new ATOM 844 N SER A 55 7.658 11.606 2.009 1.00 0.00 N ATOM 845 CA SER A 55 8.613 11.287 0.915 1.00 0.00 C ATOM 846 C SER A 55 8.644 9.775 0.695 1.00 0.00 C ATOM 847 O SER A 55 7.944 9.025 1.346 1.00 0.00 O ATOM 848 CB SER A 55 10.009 11.787 1.296 1.00 0.00 C ATOM 849 OG SER A 55 10.806 10.688 1.720 1.00 0.00 O ATOM 0 H SER A 55 7.290 10.799 2.513 1.00 0.00 H new ATOM 0 HA SER A 55 8.296 11.778 -0.005 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.475 12.281 0.444 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.937 12.527 2.093 1.00 0.00 H new ATOM 0 HG SER A 55 11.700 11.007 1.963 1.00 0.00 H new ATOM 855 N ILE A 56 9.452 9.323 -0.221 1.00 0.00 N ATOM 856 CA ILE A 56 9.534 7.860 -0.495 1.00 0.00 C ATOM 857 C ILE A 56 9.702 7.097 0.821 1.00 0.00 C ATOM 858 O ILE A 56 8.790 6.447 1.292 1.00 0.00 O ATOM 859 CB ILE A 56 10.734 7.581 -1.401 1.00 0.00 C ATOM 860 CG1 ILE A 56 10.434 8.089 -2.813 1.00 0.00 C ATOM 861 CG2 ILE A 56 11.001 6.076 -1.448 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.312 7.254 -3.431 1.00 0.00 C ATOM 0 H ILE A 56 10.062 9.905 -0.795 1.00 0.00 H new ATOM 0 HA ILE A 56 8.618 7.532 -0.987 1.00 0.00 H new ATOM 0 HB ILE A 56 11.612 8.093 -1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.143 9.139 -2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.330 8.027 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.856 5.878 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.214 5.713 -0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.123 5.563 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.100 7.617 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.620 6.210 -3.480 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.415 7.339 -2.818 1.00 0.00 H new ATOM 874 N GLU A 57 10.862 7.165 1.415 1.00 0.00 N ATOM 875 CA GLU A 57 11.086 6.440 2.697 1.00 0.00 C ATOM 876 C GLU A 57 9.972 6.789 3.685 1.00 0.00 C ATOM 877 O GLU A 57 9.552 5.969 4.475 1.00 0.00 O ATOM 878 CB GLU A 57 12.437 6.851 3.290 1.00 0.00 C ATOM 879 CG GLU A 57 13.554 6.513 2.303 1.00 0.00 C ATOM 880 CD GLU A 57 13.459 5.039 1.909 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.663 4.201 2.772 1.00 0.00 O ATOM 882 OE2 GLU A 57 13.182 4.771 0.752 1.00 0.00 O ATOM 0 H GLU A 57 11.664 7.691 1.068 1.00 0.00 H new ATOM 0 HA GLU A 57 11.082 5.366 2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.441 7.919 3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.604 6.333 4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.474 7.143 1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.525 6.718 2.753 1.00 0.00 H new ATOM 889 N ALA A 58 9.493 8.002 3.647 1.00 0.00 N ATOM 890 CA ALA A 58 8.408 8.402 4.586 1.00 0.00 C ATOM 891 C ALA A 58 7.125 7.645 4.235 1.00 0.00 C ATOM 892 O ALA A 58 6.537 6.980 5.069 1.00 0.00 O ATOM 893 CB ALA A 58 8.164 9.905 4.470 1.00 0.00 C ATOM 0 H ALA A 58 9.806 8.732 3.007 1.00 0.00 H new ATOM 0 HA ALA A 58 8.702 8.161 5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.370 10.199 5.157 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.078 10.443 4.721 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.869 10.148 3.449 1.00 0.00 H new ATOM 899 N ALA A 59 6.683 7.735 3.009 1.00 0.00 N ATOM 900 CA ALA A 59 5.439 7.015 2.620 1.00 0.00 C ATOM 901 C ALA A 59 5.629 5.526 2.879 1.00 0.00 C ATOM 902 O ALA A 59 4.756 4.857 3.391 1.00 0.00 O ATOM 903 CB ALA A 59 5.145 7.252 1.137 1.00 0.00 C ATOM 0 H ALA A 59 7.127 8.273 2.265 1.00 0.00 H new ATOM 0 HA ALA A 59 4.599 7.386 3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.234 6.723 0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.014 8.319 0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.977 6.883 0.538 1.00 0.00 H new ATOM 909 N MET A 60 6.774 5.008 2.541 1.00 0.00 N ATOM 910 CA MET A 60 7.045 3.563 2.776 1.00 0.00 C ATOM 911 C MET A 60 6.954 3.285 4.276 1.00 0.00 C ATOM 912 O MET A 60 6.502 2.239 4.699 1.00 0.00 O ATOM 913 CB MET A 60 8.448 3.215 2.280 1.00 0.00 C ATOM 914 CG MET A 60 8.403 2.933 0.776 1.00 0.00 C ATOM 915 SD MET A 60 10.072 3.063 0.089 1.00 0.00 S ATOM 916 CE MET A 60 10.339 1.296 -0.199 1.00 0.00 C ATOM 0 H MET A 60 7.539 5.526 2.109 1.00 0.00 H new ATOM 0 HA MET A 60 6.315 2.958 2.238 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.133 4.038 2.486 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.828 2.343 2.813 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.999 1.937 0.594 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.738 3.642 0.282 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.370 1.130 -0.511 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.145 0.744 0.721 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.663 0.948 -0.980 1.00 0.00 H new ATOM 926 N ARG A 61 7.372 4.221 5.083 1.00 0.00 N ATOM 927 CA ARG A 61 7.303 4.019 6.555 1.00 0.00 C ATOM 928 C ARG A 61 5.857 3.709 6.940 1.00 0.00 C ATOM 929 O ARG A 61 5.548 2.636 7.420 1.00 0.00 O ATOM 930 CB ARG A 61 7.757 5.297 7.267 1.00 0.00 C ATOM 931 CG ARG A 61 8.954 4.986 8.168 1.00 0.00 C ATOM 932 CD ARG A 61 9.819 6.239 8.318 1.00 0.00 C ATOM 933 NE ARG A 61 11.218 5.843 8.638 1.00 0.00 N ATOM 934 CZ ARG A 61 12.042 6.718 9.148 1.00 0.00 C ATOM 935 NH1 ARG A 61 11.876 7.989 8.904 1.00 0.00 N ATOM 936 NH2 ARG A 61 13.029 6.322 9.906 1.00 0.00 N ATOM 0 H ARG A 61 7.758 5.117 4.785 1.00 0.00 H new ATOM 0 HA ARG A 61 7.952 3.194 6.848 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.029 6.057 6.534 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.939 5.705 7.860 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.609 4.650 9.146 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.543 4.174 7.741 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.797 6.821 7.397 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.421 6.876 9.108 1.00 0.00 H new ATOM 0 HE ARG A 61 11.532 4.889 8.459 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.103 8.299 8.315 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.519 8.673 9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.156 5.329 10.100 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.672 7.006 10.304 1.00 0.00 H new ATOM 950 N MET A 62 4.967 4.638 6.723 1.00 0.00 N ATOM 951 CA MET A 62 3.540 4.396 7.067 1.00 0.00 C ATOM 952 C MET A 62 2.954 3.373 6.092 1.00 0.00 C ATOM 953 O MET A 62 2.159 2.530 6.462 1.00 0.00 O ATOM 954 CB MET A 62 2.761 5.708 6.966 1.00 0.00 C ATOM 955 CG MET A 62 1.895 5.883 8.214 1.00 0.00 C ATOM 956 SD MET A 62 1.509 7.637 8.437 1.00 0.00 S ATOM 957 CE MET A 62 0.693 7.890 6.842 1.00 0.00 C ATOM 0 H MET A 62 5.168 5.554 6.322 1.00 0.00 H new ATOM 0 HA MET A 62 3.467 4.013 8.085 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.451 6.546 6.868 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.135 5.704 6.074 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.975 5.307 8.115 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.419 5.500 9.090 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.039 8.760 6.902 1.00 0.00 H new ATOM 0 HE2 MET A 62 1.445 8.053 6.070 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.102 7.009 6.592 1.00 0.00 H new ATOM 967 N ILE A 63 3.342 3.438 4.847 1.00 0.00 N ATOM 968 CA ILE A 63 2.814 2.467 3.846 1.00 0.00 C ATOM 969 C ILE A 63 3.158 1.043 4.292 1.00 0.00 C ATOM 970 O ILE A 63 2.309 0.176 4.341 1.00 0.00 O ATOM 971 CB ILE A 63 3.444 2.752 2.476 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.761 3.968 1.843 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.266 1.539 1.557 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.312 3.620 1.495 1.00 0.00 C ATOM 0 H ILE A 63 4.003 4.123 4.479 1.00 0.00 H new ATOM 0 HA ILE A 63 1.731 2.569 3.770 1.00 0.00 H new ATOM 0 HB ILE A 63 4.507 2.953 2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.787 4.812 2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.298 4.273 0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.716 1.749 0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.752 0.671 2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.203 1.333 1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.828 4.487 1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.297 2.789 0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.778 3.337 2.402 1.00 0.00 H new ATOM 986 N GLU A 64 4.398 0.798 4.616 1.00 0.00 N ATOM 987 CA GLU A 64 4.794 -0.569 5.057 1.00 0.00 C ATOM 988 C GLU A 64 4.030 -0.936 6.332 1.00 0.00 C ATOM 989 O GLU A 64 3.368 -1.951 6.401 1.00 0.00 O ATOM 990 CB GLU A 64 6.299 -0.599 5.337 1.00 0.00 C ATOM 991 CG GLU A 64 6.738 -2.037 5.610 1.00 0.00 C ATOM 992 CD GLU A 64 7.480 -2.107 6.948 1.00 0.00 C ATOM 993 OE1 GLU A 64 7.700 -1.061 7.537 1.00 0.00 O ATOM 994 OE2 GLU A 64 7.815 -3.204 7.361 1.00 0.00 O ATOM 0 H GLU A 64 5.153 1.484 4.594 1.00 0.00 H new ATOM 0 HA GLU A 64 4.556 -1.287 4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.846 -0.196 4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.533 0.033 6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.869 -2.695 5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.385 -2.388 4.806 1.00 0.00 H new ATOM 1001 N GLY A 65 4.117 -0.113 7.341 1.00 0.00 N ATOM 1002 CA GLY A 65 3.398 -0.413 8.612 1.00 0.00 C ATOM 1003 C GLY A 65 1.920 -0.676 8.317 1.00 0.00 C ATOM 1004 O GLY A 65 1.219 -1.281 9.106 1.00 0.00 O ATOM 0 H GLY A 65 4.655 0.754 7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.843 -1.282 9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.498 0.423 9.304 1.00 0.00 H new ATOM 1008 N THR A 66 1.436 -0.227 7.191 1.00 0.00 N ATOM 1009 CA THR A 66 0.002 -0.455 6.853 1.00 0.00 C ATOM 1010 C THR A 66 -0.155 -1.819 6.177 1.00 0.00 C ATOM 1011 O THR A 66 -1.047 -2.580 6.497 1.00 0.00 O ATOM 1012 CB THR A 66 -0.480 0.641 5.896 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.201 1.916 6.460 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.986 0.499 5.672 1.00 0.00 C ATOM 0 H THR A 66 1.971 0.287 6.491 1.00 0.00 H new ATOM 0 HA THR A 66 -0.591 -0.430 7.767 1.00 0.00 H new ATOM 0 HB THR A 66 0.037 0.544 4.942 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.637 2.262 6.088 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.328 1.279 4.991 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.199 -0.479 5.240 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.506 0.596 6.625 1.00 0.00 H new ATOM 1022 N ALA A 67 0.701 -2.134 5.245 1.00 0.00 N ATOM 1023 CA ALA A 67 0.599 -3.448 4.551 1.00 0.00 C ATOM 1024 C ALA A 67 0.558 -4.571 5.589 1.00 0.00 C ATOM 1025 O ALA A 67 -0.295 -5.436 5.550 1.00 0.00 O ATOM 1026 CB ALA A 67 1.810 -3.640 3.636 1.00 0.00 C ATOM 0 H ALA A 67 1.468 -1.537 4.934 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.312 -3.473 3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.734 -4.602 3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.837 -2.841 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.723 -3.615 4.231 1.00 0.00 H new ATOM 1032 N ARG A 68 1.473 -4.567 6.519 1.00 0.00 N ATOM 1033 CA ARG A 68 1.484 -5.634 7.560 1.00 0.00 C ATOM 1034 C ARG A 68 0.172 -5.595 8.347 1.00 0.00 C ATOM 1035 O ARG A 68 -0.170 -6.525 9.049 1.00 0.00 O ATOM 1036 CB ARG A 68 2.657 -5.401 8.514 1.00 0.00 C ATOM 1037 CG ARG A 68 2.580 -3.981 9.080 1.00 0.00 C ATOM 1038 CD ARG A 68 3.215 -3.949 10.471 1.00 0.00 C ATOM 1039 NE ARG A 68 4.548 -4.614 10.426 1.00 0.00 N ATOM 1040 CZ ARG A 68 5.629 -3.925 10.676 1.00 0.00 C ATOM 1041 NH1 ARG A 68 6.131 -3.143 9.760 1.00 0.00 N ATOM 1042 NH2 ARG A 68 6.206 -4.018 11.843 1.00 0.00 N ATOM 0 H ARG A 68 2.214 -3.871 6.603 1.00 0.00 H new ATOM 0 HA ARG A 68 1.591 -6.607 7.081 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.630 -6.129 9.325 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.601 -5.544 7.988 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.096 -3.286 8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.541 -3.657 9.136 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.322 -2.918 10.809 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.569 -4.454 11.189 1.00 0.00 H new ATOM 0 HE ARG A 68 4.616 -5.606 10.200 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.679 -3.070 8.848 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.975 -2.605 9.955 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.813 -4.629 12.559 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.050 -3.480 12.039 1.00 0.00 H new ATOM 1056 N SER A 69 -0.564 -4.521 8.240 1.00 0.00 N ATOM 1057 CA SER A 69 -1.850 -4.419 8.988 1.00 0.00 C ATOM 1058 C SER A 69 -2.930 -5.244 8.284 1.00 0.00 C ATOM 1059 O SER A 69 -4.005 -5.450 8.812 1.00 0.00 O ATOM 1060 CB SER A 69 -2.290 -2.956 9.046 1.00 0.00 C ATOM 1061 OG SER A 69 -2.544 -2.596 10.398 1.00 0.00 O ATOM 0 H SER A 69 -0.330 -3.710 7.667 1.00 0.00 H new ATOM 0 HA SER A 69 -1.707 -4.801 9.999 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.516 -2.314 8.626 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.187 -2.810 8.444 1.00 0.00 H new ATOM 0 HG SER A 69 -2.825 -1.658 10.440 1.00 0.00 H new ATOM 1067 N MET A 70 -2.662 -5.714 7.097 1.00 0.00 N ATOM 1068 CA MET A 70 -3.686 -6.518 6.371 1.00 0.00 C ATOM 1069 C MET A 70 -3.091 -7.865 5.960 1.00 0.00 C ATOM 1070 O MET A 70 -3.360 -8.883 6.564 1.00 0.00 O ATOM 1071 CB MET A 70 -4.142 -5.754 5.124 1.00 0.00 C ATOM 1072 CG MET A 70 -4.633 -4.363 5.528 1.00 0.00 C ATOM 1073 SD MET A 70 -6.250 -4.504 6.328 1.00 0.00 S ATOM 1074 CE MET A 70 -7.218 -4.806 4.828 1.00 0.00 C ATOM 0 H MET A 70 -1.782 -5.577 6.600 1.00 0.00 H new ATOM 0 HA MET A 70 -4.541 -6.690 7.025 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.318 -5.669 4.415 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.940 -6.301 4.621 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.919 -3.896 6.207 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.704 -3.721 4.650 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.010 -4.061 4.750 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.568 -4.737 3.956 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.659 -5.802 4.874 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.286 -7.878 4.934 1.00 0.00 N ATOM 1085 CA GLY A 71 -1.676 -9.161 4.482 1.00 0.00 C ATOM 1086 C GLY A 71 -0.766 -8.892 3.283 1.00 0.00 C ATOM 1087 O GLY A 71 -0.910 -9.492 2.236 1.00 0.00 O ATOM 0 H GLY A 71 -2.024 -7.057 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.104 -9.611 5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.456 -9.872 4.209 1.00 0.00 H new ATOM 1091 N ILE A 72 0.174 -7.998 3.431 1.00 0.00 N ATOM 1092 CA ILE A 72 1.095 -7.687 2.305 1.00 0.00 C ATOM 1093 C ILE A 72 2.488 -7.393 2.865 1.00 0.00 C ATOM 1094 O ILE A 72 2.685 -6.454 3.611 1.00 0.00 O ATOM 1095 CB ILE A 72 0.589 -6.457 1.546 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.890 -6.636 1.192 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.399 -6.284 0.261 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.747 -5.776 2.124 1.00 0.00 C ATOM 0 H ILE A 72 0.343 -7.469 4.287 1.00 0.00 H new ATOM 0 HA ILE A 72 1.137 -8.538 1.626 1.00 0.00 H new ATOM 0 HB ILE A 72 0.704 -5.575 2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.063 -6.350 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.173 -7.685 1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.040 -5.409 -0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.452 -6.150 0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.284 -7.170 -0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.800 -5.904 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.582 -6.083 3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.471 -4.728 2.008 1.00 0.00 H new ATOM 1110 N VAL A 73 3.449 -8.201 2.522 1.00 0.00 N ATOM 1111 CA VAL A 73 4.831 -7.991 3.042 1.00 0.00 C ATOM 1112 C VAL A 73 5.684 -7.263 1.999 1.00 0.00 C ATOM 1113 O VAL A 73 5.278 -7.063 0.871 1.00 0.00 O ATOM 1114 CB VAL A 73 5.461 -9.347 3.352 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.700 -9.151 4.230 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.445 -10.219 4.093 1.00 0.00 C ATOM 0 H VAL A 73 3.339 -9.003 1.901 1.00 0.00 H new ATOM 0 HA VAL A 73 4.784 -7.385 3.947 1.00 0.00 H new ATOM 0 HB VAL A 73 5.752 -9.833 2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.147 -10.120 4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.424 -8.528 3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.412 -8.665 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.891 -11.188 4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.156 -9.730 5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.563 -10.361 3.468 1.00 0.00 H new ATOM 1126 N VAL A 74 6.873 -6.871 2.375 1.00 0.00 N ATOM 1127 CA VAL A 74 7.773 -6.160 1.424 1.00 0.00 C ATOM 1128 C VAL A 74 9.227 -6.508 1.753 1.00 0.00 C ATOM 1129 O VAL A 74 9.705 -6.253 2.840 1.00 0.00 O ATOM 1130 CB VAL A 74 7.564 -4.651 1.556 1.00 0.00 C ATOM 1131 CG1 VAL A 74 7.932 -3.969 0.237 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.095 -4.368 1.882 1.00 0.00 C ATOM 0 H VAL A 74 7.261 -7.015 3.307 1.00 0.00 H new ATOM 0 HA VAL A 74 7.546 -6.467 0.403 1.00 0.00 H new ATOM 0 HB VAL A 74 8.196 -4.264 2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.783 -2.893 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.977 -4.172 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.298 -4.355 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.944 -3.293 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.464 -4.754 1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.830 -4.855 2.820 1.00 0.00 H new ATOM 1142 N GLU A 75 9.935 -7.097 0.826 1.00 0.00 N ATOM 1143 CA GLU A 75 11.354 -7.466 1.094 1.00 0.00 C ATOM 1144 C GLU A 75 12.287 -6.507 0.350 1.00 0.00 C ATOM 1145 O GLU A 75 11.975 -6.028 -0.721 1.00 0.00 O ATOM 1146 CB GLU A 75 11.608 -8.897 0.614 1.00 0.00 C ATOM 1147 CG GLU A 75 12.042 -9.767 1.795 1.00 0.00 C ATOM 1148 CD GLU A 75 11.057 -10.925 1.965 1.00 0.00 C ATOM 1149 OE1 GLU A 75 9.881 -10.655 2.141 1.00 0.00 O ATOM 1150 OE2 GLU A 75 11.496 -12.063 1.916 1.00 0.00 O ATOM 0 H GLU A 75 9.592 -7.338 -0.104 1.00 0.00 H new ATOM 0 HA GLU A 75 11.547 -7.399 2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.704 -9.305 0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.379 -8.901 -0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.047 -10.153 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.078 -9.170 2.706 1.00 0.00 H new ATOM 1157 N ASP A 76 13.433 -6.228 0.911 1.00 0.00 N ATOM 1158 CA ASP A 76 14.389 -5.303 0.236 1.00 0.00 C ATOM 1159 C ASP A 76 15.078 -6.033 -0.919 1.00 0.00 C ATOM 1160 O ASP A 76 15.335 -7.218 -0.776 1.00 0.00 O ATOM 1161 CB ASP A 76 15.445 -4.835 1.241 1.00 0.00 C ATOM 1162 CG ASP A 76 15.893 -6.018 2.104 1.00 0.00 C ATOM 1163 OD1 ASP A 76 15.215 -6.308 3.074 1.00 0.00 O ATOM 1164 OD2 ASP A 76 16.908 -6.612 1.776 1.00 0.00 O ATOM 1165 OXT ASP A 76 15.336 -5.395 -1.927 1.00 0.00 O ATOM 0 H ASP A 76 13.748 -6.600 1.807 1.00 0.00 H new ATOM 0 HA ASP A 76 13.845 -4.441 -0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 76 16.300 -4.412 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.036 -4.046 1.872 1.00 0.00 H new