USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 444 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 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -2.8! USER MOD Single : B 152 THR OG1 : rot 180:sc= 0.00255 USER MOD Single : B 153 SER OG : rot 180:sc= 0 USER MOD Single : B 156 SER OG : rot 180:sc= -2.84! USER MOD Single : B 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 50 3.479 22.342 -5.695 1.00 25.34 N ATOM 121 CA PRO A 50 2.378 21.379 -5.795 1.00 13.20 C ATOM 122 C PRO A 50 2.841 20.022 -6.315 1.00 53.02 C ATOM 123 O PRO A 50 2.141 19.019 -6.171 1.00 5.15 O ATOM 124 CB PRO A 50 1.422 22.036 -6.794 1.00 72.02 C ATOM 125 CG PRO A 50 2.288 22.928 -7.616 1.00 2.13 C ATOM 126 CD PRO A 50 3.372 23.416 -6.695 1.00 14.25 C ATOM 0 HA PRO A 50 1.927 21.173 -4.824 1.00 13.20 H new ATOM 0 HB2 PRO A 50 0.922 21.291 -7.412 1.00 72.02 H new ATOM 0 HB3 PRO A 50 0.643 22.602 -6.283 1.00 72.02 H new ATOM 0 HG2 PRO A 50 2.710 22.389 -8.464 1.00 2.13 H new ATOM 0 HG3 PRO A 50 1.716 23.762 -8.021 1.00 2.13 H new ATOM 0 HD2 PRO A 50 4.312 23.566 -7.225 1.00 14.25 H new ATOM 0 HD3 PRO A 50 3.110 24.369 -6.235 1.00 14.25 H new ATOM 134 N LEU A 51 4.023 19.997 -6.920 1.00 34.32 N ATOM 135 CA LEU A 51 4.580 18.762 -7.462 1.00 53.44 C ATOM 136 C LEU A 51 4.594 17.662 -6.405 1.00 72.03 C ATOM 137 O LEU A 51 4.372 16.490 -6.710 1.00 33.43 O ATOM 138 CB LEU A 51 5.998 19.004 -7.982 1.00 42.12 C ATOM 139 CG LEU A 51 6.106 19.603 -9.385 1.00 2.12 C ATOM 140 CD1 LEU A 51 7.055 20.791 -9.386 1.00 72.20 C ATOM 141 CD2 LEU A 51 6.566 18.548 -10.380 1.00 74.02 C ATOM 0 H LEU A 51 4.615 20.818 -7.048 1.00 34.32 H new ATOM 0 HA LEU A 51 3.947 18.438 -8.288 1.00 53.44 H new ATOM 0 HB2 LEU A 51 6.511 19.667 -7.285 1.00 42.12 H new ATOM 0 HB3 LEU A 51 6.534 18.055 -7.972 1.00 42.12 H new ATOM 0 HG LEU A 51 5.119 19.953 -9.688 1.00 2.12 H new ATOM 0 HD11 LEU A 51 7.119 21.204 -10.393 1.00 72.20 H new ATOM 0 HD12 LEU A 51 6.683 21.555 -8.703 1.00 72.20 H new ATOM 0 HD13 LEU A 51 8.044 20.467 -9.063 1.00 72.20 H new ATOM 0 HD21 LEU A 51 6.637 18.991 -11.373 1.00 74.02 H new ATOM 0 HD22 LEU A 51 7.543 18.167 -10.081 1.00 74.02 H new ATOM 0 HD23 LEU A 51 5.848 17.728 -10.399 1.00 74.02 H new ATOM 153 N THR A 52 4.854 18.048 -5.160 1.00 4.30 N ATOM 154 CA THR A 52 4.896 17.095 -4.058 1.00 11.41 C ATOM 155 C THR A 52 3.636 16.238 -4.024 1.00 14.32 C ATOM 156 O THR A 52 3.692 15.046 -3.719 1.00 53.33 O ATOM 157 CB THR A 52 5.052 17.811 -2.702 1.00 31.54 C ATOM 158 OG1 THR A 52 6.102 18.782 -2.780 1.00 42.33 O ATOM 159 CG2 THR A 52 5.359 16.813 -1.597 1.00 63.02 C ATOM 0 H THR A 52 5.039 19.014 -4.890 1.00 4.30 H new ATOM 0 HA THR A 52 5.763 16.456 -4.226 1.00 11.41 H new ATOM 0 HB THR A 52 4.112 18.311 -2.468 1.00 31.54 H new ATOM 0 HG1 THR A 52 6.194 19.234 -1.915 1.00 42.33 H new ATOM 0 HG21 THR A 52 5.465 17.341 -0.649 1.00 63.02 H new ATOM 0 HG22 THR A 52 4.545 16.092 -1.522 1.00 63.02 H new ATOM 0 HG23 THR A 52 6.287 16.290 -1.827 1.00 63.02 H new ATOM 167 N SER A 53 2.500 16.852 -4.339 1.00 0.15 N ATOM 168 CA SER A 53 1.225 16.145 -4.342 1.00 2.34 C ATOM 169 C SER A 53 1.232 15.014 -5.366 1.00 14.12 C ATOM 170 O SER A 53 1.045 13.847 -5.021 1.00 32.30 O ATOM 171 CB SER A 53 0.080 17.113 -4.644 1.00 55.25 C ATOM 172 OG SER A 53 -1.124 16.689 -4.030 1.00 10.11 O ATOM 0 H SER A 53 2.437 17.837 -4.595 1.00 0.15 H new ATOM 0 HA SER A 53 1.076 15.715 -3.352 1.00 2.34 H new ATOM 0 HB2 SER A 53 0.340 18.110 -4.290 1.00 55.25 H new ATOM 0 HB3 SER A 53 -0.064 17.185 -5.722 1.00 55.25 H new ATOM 0 HG SER A 53 -1.839 17.326 -4.238 1.00 10.11 H new ATOM 178 N ILE A 54 1.449 15.370 -6.629 1.00 43.12 N ATOM 179 CA ILE A 54 1.482 14.386 -7.704 1.00 20.02 C ATOM 180 C ILE A 54 2.431 13.240 -7.371 1.00 74.11 C ATOM 181 O ILE A 54 2.081 12.069 -7.521 1.00 62.44 O ATOM 182 CB ILE A 54 1.913 15.025 -9.038 1.00 62.32 C ATOM 183 CG1 ILE A 54 0.954 16.153 -9.421 1.00 55.45 C ATOM 184 CG2 ILE A 54 1.968 13.972 -10.135 1.00 40.00 C ATOM 185 CD1 ILE A 54 -0.482 15.703 -9.567 1.00 4.41 C ATOM 0 H ILE A 54 1.604 16.332 -6.932 1.00 43.12 H new ATOM 0 HA ILE A 54 0.469 13.997 -7.808 1.00 20.02 H new ATOM 0 HB ILE A 54 2.910 15.448 -8.917 1.00 62.32 H new ATOM 0 HG12 ILE A 54 1.006 16.935 -8.664 1.00 55.45 H new ATOM 0 HG13 ILE A 54 1.284 16.596 -10.360 1.00 55.45 H new ATOM 0 HG21 ILE A 54 2.274 14.438 -11.072 1.00 40.00 H new ATOM 0 HG22 ILE A 54 2.687 13.200 -9.862 1.00 40.00 H new ATOM 0 HG23 ILE A 54 0.982 13.523 -10.258 1.00 40.00 H new ATOM 0 HD11 ILE A 54 -1.104 16.555 -9.840 1.00 4.41 H new ATOM 0 HD12 ILE A 54 -0.548 14.942 -10.345 1.00 4.41 H new ATOM 0 HD13 ILE A 54 -0.831 15.287 -8.622 1.00 4.41 H new ATOM 197 N ILE A 55 3.632 13.586 -6.919 1.00 21.12 N ATOM 198 CA ILE A 55 4.630 12.585 -6.562 1.00 62.52 C ATOM 199 C ILE A 55 4.165 11.740 -5.381 1.00 11.31 C ATOM 200 O ILE A 55 4.371 10.528 -5.353 1.00 4.15 O ATOM 201 CB ILE A 55 5.980 13.238 -6.211 1.00 14.14 C ATOM 202 CG1 ILE A 55 6.464 14.114 -7.369 1.00 44.42 C ATOM 203 CG2 ILE A 55 7.014 12.172 -5.879 1.00 20.13 C ATOM 204 CD1 ILE A 55 6.770 13.336 -8.629 1.00 72.02 C ATOM 0 H ILE A 55 3.937 14.551 -6.791 1.00 21.12 H new ATOM 0 HA ILE A 55 4.760 11.944 -7.434 1.00 62.52 H new ATOM 0 HB ILE A 55 5.844 13.870 -5.334 1.00 14.14 H new ATOM 0 HG12 ILE A 55 5.703 14.863 -7.590 1.00 44.42 H new ATOM 0 HG13 ILE A 55 7.359 14.652 -7.057 1.00 44.42 H new ATOM 0 HG21 ILE A 55 7.963 12.649 -5.633 1.00 20.13 H new ATOM 0 HG22 ILE A 55 6.671 11.586 -5.027 1.00 20.13 H new ATOM 0 HG23 ILE A 55 7.150 11.517 -6.739 1.00 20.13 H new ATOM 0 HD11 ILE A 55 7.107 14.021 -9.407 1.00 72.02 H new ATOM 0 HD12 ILE A 55 7.553 12.605 -8.424 1.00 72.02 H new ATOM 0 HD13 ILE A 55 5.871 12.820 -8.965 1.00 72.02 H new ATOM 216 N SER A 56 3.533 12.390 -4.408 1.00 25.12 N ATOM 217 CA SER A 56 3.039 11.699 -3.223 1.00 31.24 C ATOM 218 C SER A 56 2.056 10.598 -3.607 1.00 65.10 C ATOM 219 O SER A 56 2.154 9.469 -3.128 1.00 23.43 O ATOM 220 CB SER A 56 2.366 12.691 -2.272 1.00 5.41 C ATOM 221 OG SER A 56 1.149 12.168 -1.767 1.00 34.31 O ATOM 0 H SER A 56 3.351 13.394 -4.417 1.00 25.12 H new ATOM 0 HA SER A 56 3.890 11.242 -2.717 1.00 31.24 H new ATOM 0 HB2 SER A 56 3.038 12.920 -1.445 1.00 5.41 H new ATOM 0 HB3 SER A 56 2.174 13.628 -2.795 1.00 5.41 H new ATOM 0 HG SER A 56 0.739 12.820 -1.161 1.00 34.31 H new ATOM 227 N ALA A 57 1.108 10.935 -4.475 1.00 40.35 N ATOM 228 CA ALA A 57 0.107 9.976 -4.925 1.00 34.20 C ATOM 229 C ALA A 57 0.749 8.854 -5.736 1.00 10.53 C ATOM 230 O ALA A 57 0.503 7.675 -5.484 1.00 64.20 O ATOM 231 CB ALA A 57 -0.964 10.677 -5.747 1.00 42.43 C ATOM 0 H ALA A 57 1.012 11.866 -4.881 1.00 40.35 H new ATOM 0 HA ALA A 57 -0.359 9.533 -4.044 1.00 34.20 H new ATOM 0 HB1 ALA A 57 -1.705 9.948 -6.076 1.00 42.43 H new ATOM 0 HB2 ALA A 57 -1.450 11.439 -5.137 1.00 42.43 H new ATOM 0 HB3 ALA A 57 -0.505 11.147 -6.617 1.00 42.43 H new ATOM 237 N VAL A 58 1.570 9.230 -6.711 1.00 25.41 N ATOM 238 CA VAL A 58 2.247 8.256 -7.559 1.00 2.23 C ATOM 239 C VAL A 58 2.952 7.195 -6.721 1.00 63.41 C ATOM 240 O VAL A 58 2.941 6.011 -7.060 1.00 42.52 O ATOM 241 CB VAL A 58 3.276 8.934 -8.482 1.00 15.43 C ATOM 242 CG1 VAL A 58 4.037 7.893 -9.289 1.00 73.24 C ATOM 243 CG2 VAL A 58 2.590 9.934 -9.400 1.00 44.50 C ATOM 0 H VAL A 58 1.783 10.202 -6.933 1.00 25.41 H new ATOM 0 HA VAL A 58 1.480 7.781 -8.171 1.00 2.23 H new ATOM 0 HB VAL A 58 3.992 9.475 -7.863 1.00 15.43 H new ATOM 0 HG11 VAL A 58 4.760 8.391 -9.936 1.00 73.24 H new ATOM 0 HG12 VAL A 58 4.561 7.219 -8.611 1.00 73.24 H new ATOM 0 HG13 VAL A 58 3.337 7.323 -9.899 1.00 73.24 H new ATOM 0 HG21 VAL A 58 3.332 10.404 -10.045 1.00 44.50 H new ATOM 0 HG22 VAL A 58 1.851 9.418 -10.013 1.00 44.50 H new ATOM 0 HG23 VAL A 58 2.095 10.698 -8.801 1.00 44.50 H new ATOM 253 N VAL A 59 3.568 7.628 -5.625 1.00 22.14 N ATOM 254 CA VAL A 59 4.279 6.715 -4.737 1.00 33.22 C ATOM 255 C VAL A 59 3.309 5.799 -4.000 1.00 62.52 C ATOM 256 O VAL A 59 3.550 4.600 -3.866 1.00 15.01 O ATOM 257 CB VAL A 59 5.128 7.484 -3.707 1.00 24.35 C ATOM 258 CG1 VAL A 59 5.862 6.514 -2.792 1.00 43.50 C ATOM 259 CG2 VAL A 59 6.107 8.412 -4.409 1.00 64.11 C ATOM 0 H VAL A 59 3.589 8.604 -5.331 1.00 22.14 H new ATOM 0 HA VAL A 59 4.938 6.112 -5.362 1.00 33.22 H new ATOM 0 HB VAL A 59 4.463 8.093 -3.095 1.00 24.35 H new ATOM 0 HG11 VAL A 59 6.457 7.074 -2.070 1.00 43.50 H new ATOM 0 HG12 VAL A 59 5.138 5.895 -2.263 1.00 43.50 H new ATOM 0 HG13 VAL A 59 6.517 5.878 -3.387 1.00 43.50 H new ATOM 0 HG21 VAL A 59 6.698 8.947 -3.666 1.00 64.11 H new ATOM 0 HG22 VAL A 59 6.769 7.827 -5.047 1.00 64.11 H new ATOM 0 HG23 VAL A 59 5.556 9.128 -5.018 1.00 64.11 H new ATOM 269 N GLY A 60 2.209 6.374 -3.521 1.00 4.34 N ATOM 270 CA GLY A 60 1.218 5.594 -2.803 1.00 5.21 C ATOM 271 C GLY A 60 0.574 4.532 -3.672 1.00 60.32 C ATOM 272 O GLY A 60 0.502 3.364 -3.285 1.00 52.23 O ATOM 0 H GLY A 60 1.987 7.365 -3.618 1.00 4.34 H new ATOM 0 HA2 GLY A 60 1.689 5.118 -1.942 1.00 5.21 H new ATOM 0 HA3 GLY A 60 0.446 6.260 -2.417 1.00 5.21 H new ATOM 276 N ILE A 61 0.105 4.936 -4.847 1.00 32.43 N ATOM 277 CA ILE A 61 -0.536 4.010 -5.772 1.00 13.03 C ATOM 278 C ILE A 61 0.456 2.977 -6.293 1.00 35.52 C ATOM 279 O ILE A 61 0.085 1.846 -6.609 1.00 4.10 O ATOM 280 CB ILE A 61 -1.163 4.752 -6.968 1.00 24.05 C ATOM 281 CG1 ILE A 61 -2.137 5.824 -6.477 1.00 50.24 C ATOM 282 CG2 ILE A 61 -1.870 3.769 -7.889 1.00 61.31 C ATOM 283 CD1 ILE A 61 -2.708 6.677 -7.588 1.00 71.14 C ATOM 0 H ILE A 61 0.157 5.898 -5.181 1.00 32.43 H new ATOM 0 HA ILE A 61 -1.324 3.504 -5.215 1.00 13.03 H new ATOM 0 HB ILE A 61 -0.368 5.241 -7.531 1.00 24.05 H new ATOM 0 HG12 ILE A 61 -2.956 5.342 -5.943 1.00 50.24 H new ATOM 0 HG13 ILE A 61 -1.625 6.468 -5.762 1.00 50.24 H new ATOM 0 HG21 ILE A 61 -2.308 4.308 -8.729 1.00 61.31 H new ATOM 0 HG22 ILE A 61 -1.152 3.038 -8.261 1.00 61.31 H new ATOM 0 HG23 ILE A 61 -2.657 3.255 -7.337 1.00 61.31 H new ATOM 0 HD11 ILE A 61 -3.390 7.415 -7.166 1.00 71.14 H new ATOM 0 HD12 ILE A 61 -1.897 7.187 -8.108 1.00 71.14 H new ATOM 0 HD13 ILE A 61 -3.249 6.044 -8.292 1.00 71.14 H new ATOM 295 N LEU A 62 1.722 3.373 -6.380 1.00 63.40 N ATOM 296 CA LEU A 62 2.771 2.480 -6.861 1.00 64.11 C ATOM 297 C LEU A 62 3.046 1.369 -5.853 1.00 3.22 C ATOM 298 O LEU A 62 3.131 0.195 -6.214 1.00 15.14 O ATOM 299 CB LEU A 62 4.054 3.269 -7.131 1.00 63.31 C ATOM 300 CG LEU A 62 5.236 2.463 -7.672 1.00 65.25 C ATOM 301 CD1 LEU A 62 5.641 2.968 -9.048 1.00 21.04 C ATOM 302 CD2 LEU A 62 6.413 2.531 -6.710 1.00 62.03 C ATOM 0 H LEU A 62 2.046 4.306 -6.124 1.00 63.40 H new ATOM 0 HA LEU A 62 2.429 2.024 -7.790 1.00 64.11 H new ATOM 0 HB2 LEU A 62 3.826 4.063 -7.842 1.00 63.31 H new ATOM 0 HB3 LEU A 62 4.363 3.751 -6.203 1.00 63.31 H new ATOM 0 HG LEU A 62 4.928 1.422 -7.765 1.00 65.25 H new ATOM 0 HD11 LEU A 62 6.483 2.383 -9.417 1.00 21.04 H new ATOM 0 HD12 LEU A 62 4.800 2.867 -9.735 1.00 21.04 H new ATOM 0 HD13 LEU A 62 5.930 4.017 -8.980 1.00 21.04 H new ATOM 0 HD21 LEU A 62 7.245 1.952 -7.111 1.00 62.03 H new ATOM 0 HD22 LEU A 62 6.721 3.569 -6.584 1.00 62.03 H new ATOM 0 HD23 LEU A 62 6.118 2.121 -5.744 1.00 62.03 H new ATOM 314 N LEU A 63 3.182 1.747 -4.587 1.00 71.32 N ATOM 315 CA LEU A 63 3.445 0.782 -3.525 1.00 3.21 C ATOM 316 C LEU A 63 2.289 -0.203 -3.386 1.00 1.31 C ATOM 317 O LEU A 63 2.498 -1.394 -3.152 1.00 72.44 O ATOM 318 CB LEU A 63 3.675 1.506 -2.197 1.00 25.32 C ATOM 319 CG LEU A 63 4.701 0.871 -1.256 1.00 52.14 C ATOM 320 CD1 LEU A 63 4.353 -0.585 -0.991 1.00 62.40 C ATOM 321 CD2 LEU A 63 6.103 0.991 -1.836 1.00 13.44 C ATOM 0 H LEU A 63 3.115 2.714 -4.271 1.00 71.32 H new ATOM 0 HA LEU A 63 4.344 0.224 -3.789 1.00 3.21 H new ATOM 0 HB2 LEU A 63 3.992 2.526 -2.412 1.00 25.32 H new ATOM 0 HB3 LEU A 63 2.722 1.572 -1.672 1.00 25.32 H new ATOM 0 HG LEU A 63 4.676 1.407 -0.307 1.00 52.14 H new ATOM 0 HD11 LEU A 63 5.094 -1.020 -0.320 1.00 62.40 H new ATOM 0 HD12 LEU A 63 3.367 -0.645 -0.531 1.00 62.40 H new ATOM 0 HD13 LEU A 63 4.349 -1.135 -1.932 1.00 62.40 H new ATOM 0 HD21 LEU A 63 6.819 0.534 -1.153 1.00 13.44 H new ATOM 0 HD22 LEU A 63 6.143 0.482 -2.799 1.00 13.44 H new ATOM 0 HD23 LEU A 63 6.352 2.044 -1.972 1.00 13.44 H new ATOM 333 N VAL A 64 1.067 0.300 -3.533 1.00 53.01 N ATOM 334 CA VAL A 64 -0.122 -0.536 -3.427 1.00 53.22 C ATOM 335 C VAL A 64 -0.126 -1.623 -4.495 1.00 4.31 C ATOM 336 O VAL A 64 -0.204 -2.812 -4.185 1.00 32.21 O ATOM 337 CB VAL A 64 -1.409 0.301 -3.558 1.00 14.43 C ATOM 338 CG1 VAL A 64 -2.637 -0.593 -3.478 1.00 21.15 C ATOM 339 CG2 VAL A 64 -1.455 1.380 -2.486 1.00 30.22 C ATOM 0 H VAL A 64 0.875 1.283 -3.726 1.00 53.01 H new ATOM 0 HA VAL A 64 -0.097 -1.000 -2.441 1.00 53.22 H new ATOM 0 HB VAL A 64 -1.406 0.789 -4.533 1.00 14.43 H new ATOM 0 HG11 VAL A 64 -3.537 0.015 -3.572 1.00 21.15 H new ATOM 0 HG12 VAL A 64 -2.607 -1.325 -4.285 1.00 21.15 H new ATOM 0 HG13 VAL A 64 -2.648 -1.111 -2.519 1.00 21.15 H new ATOM 0 HG21 VAL A 64 -2.371 1.961 -2.594 1.00 30.22 H new ATOM 0 HG22 VAL A 64 -1.434 0.915 -1.500 1.00 30.22 H new ATOM 0 HG23 VAL A 64 -0.593 2.038 -2.595 1.00 30.22 H new ATOM 349 N VAL A 65 -0.041 -1.209 -5.756 1.00 62.34 N ATOM 350 CA VAL A 65 -0.033 -2.148 -6.870 1.00 23.53 C ATOM 351 C VAL A 65 1.035 -3.220 -6.678 1.00 51.34 C ATOM 352 O VAL A 65 0.766 -4.412 -6.823 1.00 64.24 O ATOM 353 CB VAL A 65 0.214 -1.427 -8.209 1.00 20.35 C ATOM 354 CG1 VAL A 65 0.246 -2.427 -9.355 1.00 30.44 C ATOM 355 CG2 VAL A 65 -0.849 -0.366 -8.446 1.00 3.14 C ATOM 0 H VAL A 65 0.023 -0.229 -6.031 1.00 62.34 H new ATOM 0 HA VAL A 65 -1.016 -2.619 -6.895 1.00 23.53 H new ATOM 0 HB VAL A 65 1.184 -0.932 -8.163 1.00 20.35 H new ATOM 0 HG11 VAL A 65 0.421 -1.900 -10.293 1.00 30.44 H new ATOM 0 HG12 VAL A 65 1.047 -3.147 -9.188 1.00 30.44 H new ATOM 0 HG13 VAL A 65 -0.708 -2.952 -9.407 1.00 30.44 H new ATOM 0 HG21 VAL A 65 -0.659 0.133 -9.396 1.00 3.14 H new ATOM 0 HG22 VAL A 65 -1.832 -0.836 -8.473 1.00 3.14 H new ATOM 0 HG23 VAL A 65 -0.819 0.366 -7.639 1.00 3.14 H new ATOM 365 N VAL A 66 2.248 -2.787 -6.351 1.00 53.14 N ATOM 366 CA VAL A 66 3.357 -3.709 -6.137 1.00 72.44 C ATOM 367 C VAL A 66 3.010 -4.751 -5.080 1.00 40.44 C ATOM 368 O VAL A 66 3.371 -5.922 -5.204 1.00 75.53 O ATOM 369 CB VAL A 66 4.633 -2.962 -5.705 1.00 73.02 C ATOM 370 CG1 VAL A 66 5.769 -3.943 -5.457 1.00 41.30 C ATOM 371 CG2 VAL A 66 5.028 -1.932 -6.754 1.00 44.44 C ATOM 0 H VAL A 66 2.488 -1.803 -6.228 1.00 53.14 H new ATOM 0 HA VAL A 66 3.541 -4.208 -7.088 1.00 72.44 H new ATOM 0 HB VAL A 66 4.427 -2.438 -4.772 1.00 73.02 H new ATOM 0 HG11 VAL A 66 6.662 -3.397 -5.153 1.00 41.30 H new ATOM 0 HG12 VAL A 66 5.483 -4.639 -4.668 1.00 41.30 H new ATOM 0 HG13 VAL A 66 5.977 -4.497 -6.372 1.00 41.30 H new ATOM 0 HG21 VAL A 66 5.931 -1.414 -6.433 1.00 44.44 H new ATOM 0 HG22 VAL A 66 5.216 -2.433 -7.704 1.00 44.44 H new ATOM 0 HG23 VAL A 66 4.220 -1.211 -6.878 1.00 44.44 H new ATOM 381 N LEU A 67 2.304 -4.318 -4.041 1.00 64.53 N ATOM 382 CA LEU A 67 1.907 -5.214 -2.960 1.00 23.03 C ATOM 383 C LEU A 67 0.955 -6.293 -3.470 1.00 51.15 C ATOM 384 O LEU A 67 1.163 -7.481 -3.229 1.00 10.24 O ATOM 385 CB LEU A 67 1.241 -4.421 -1.834 1.00 4.33 C ATOM 386 CG LEU A 67 1.388 -5.003 -0.427 1.00 50.32 C ATOM 387 CD1 LEU A 67 0.761 -6.386 -0.353 1.00 64.23 C ATOM 388 CD2 LEU A 67 2.854 -5.056 -0.023 1.00 44.32 C ATOM 0 H LEU A 67 1.995 -3.353 -3.924 1.00 64.53 H new ATOM 0 HA LEU A 67 2.804 -5.699 -2.574 1.00 23.03 H new ATOM 0 HB2 LEU A 67 1.654 -3.412 -1.833 1.00 4.33 H new ATOM 0 HB3 LEU A 67 0.178 -4.331 -2.059 1.00 4.33 H new ATOM 0 HG LEU A 67 0.863 -4.352 0.272 1.00 50.32 H new ATOM 0 HD11 LEU A 67 0.875 -6.784 0.655 1.00 64.23 H new ATOM 0 HD12 LEU A 67 -0.299 -6.319 -0.598 1.00 64.23 H new ATOM 0 HD13 LEU A 67 1.256 -7.049 -1.063 1.00 64.23 H new ATOM 0 HD21 LEU A 67 2.940 -5.473 0.981 1.00 44.32 H new ATOM 0 HD22 LEU A 67 3.402 -5.684 -0.725 1.00 44.32 H new ATOM 0 HD23 LEU A 67 3.271 -4.049 -0.035 1.00 44.32 H new ATOM 400 N GLY A 68 -0.088 -5.869 -4.177 1.00 71.33 N ATOM 401 CA GLY A 68 -1.054 -6.810 -4.711 1.00 32.12 C ATOM 402 C GLY A 68 -0.408 -7.875 -5.576 1.00 44.32 C ATOM 403 O GLY A 68 -0.728 -9.059 -5.459 1.00 54.24 O ATOM 0 H GLY A 68 -0.281 -4.890 -4.389 1.00 71.33 H new ATOM 0 HA2 GLY A 68 -1.585 -7.288 -3.888 1.00 32.12 H new ATOM 0 HA3 GLY A 68 -1.796 -6.270 -5.299 1.00 32.12 H new ATOM 407 N VAL A 69 0.503 -7.455 -6.448 1.00 0.41 N ATOM 408 CA VAL A 69 1.195 -8.381 -7.337 1.00 55.53 C ATOM 409 C VAL A 69 1.953 -9.439 -6.545 1.00 32.23 C ATOM 410 O VAL A 69 1.842 -10.634 -6.820 1.00 43.22 O ATOM 411 CB VAL A 69 2.180 -7.641 -8.260 1.00 35.51 C ATOM 412 CG1 VAL A 69 2.934 -8.629 -9.138 1.00 73.24 C ATOM 413 CG2 VAL A 69 1.446 -6.614 -9.110 1.00 62.14 C ATOM 0 H VAL A 69 0.779 -6.479 -6.558 1.00 0.41 H new ATOM 0 HA VAL A 69 0.432 -8.866 -7.947 1.00 55.53 H new ATOM 0 HB VAL A 69 2.905 -7.114 -7.640 1.00 35.51 H new ATOM 0 HG11 VAL A 69 3.626 -8.088 -9.784 1.00 73.24 H new ATOM 0 HG12 VAL A 69 3.492 -9.322 -8.509 1.00 73.24 H new ATOM 0 HG13 VAL A 69 2.225 -9.185 -9.751 1.00 73.24 H new ATOM 0 HG21 VAL A 69 2.158 -6.101 -9.756 1.00 62.14 H new ATOM 0 HG22 VAL A 69 0.697 -7.117 -9.722 1.00 62.14 H new ATOM 0 HG23 VAL A 69 0.956 -5.888 -8.461 1.00 62.14 H new ATOM 423 N VAL A 70 2.726 -8.993 -5.560 1.00 71.05 N ATOM 424 CA VAL A 70 3.503 -9.901 -4.726 1.00 2.01 C ATOM 425 C VAL A 70 2.602 -10.921 -4.037 1.00 74.23 C ATOM 426 O VAL A 70 2.817 -12.128 -4.146 1.00 31.02 O ATOM 427 CB VAL A 70 4.304 -9.135 -3.656 1.00 34.12 C ATOM 428 CG1 VAL A 70 5.176 -10.090 -2.856 1.00 23.42 C ATOM 429 CG2 VAL A 70 5.146 -8.045 -4.301 1.00 33.41 C ATOM 0 H VAL A 70 2.831 -8.007 -5.320 1.00 71.05 H new ATOM 0 HA VAL A 70 4.198 -10.420 -5.386 1.00 2.01 H new ATOM 0 HB VAL A 70 3.601 -8.662 -2.970 1.00 34.12 H new ATOM 0 HG11 VAL A 70 5.734 -9.531 -2.105 1.00 23.42 H new ATOM 0 HG12 VAL A 70 4.547 -10.831 -2.363 1.00 23.42 H new ATOM 0 HG13 VAL A 70 5.873 -10.594 -3.526 1.00 23.42 H new ATOM 0 HG21 VAL A 70 5.705 -7.514 -3.531 1.00 33.41 H new ATOM 0 HG22 VAL A 70 5.842 -8.494 -5.010 1.00 33.41 H new ATOM 0 HG23 VAL A 70 4.495 -7.345 -4.825 1.00 33.41 H new ATOM 439 N PHE A 71 1.593 -10.427 -3.327 1.00 34.52 N ATOM 440 CA PHE A 71 0.660 -11.295 -2.620 1.00 41.30 C ATOM 441 C PHE A 71 0.089 -12.357 -3.555 1.00 65.10 C ATOM 442 O PHE A 71 0.151 -13.551 -3.267 1.00 33.12 O ATOM 443 CB PHE A 71 -0.477 -10.470 -2.013 1.00 71.42 C ATOM 444 CG PHE A 71 -1.197 -11.171 -0.898 1.00 3.10 C ATOM 445 CD1 PHE A 71 -0.493 -11.733 0.156 1.00 73.31 C ATOM 446 CD2 PHE A 71 -2.579 -11.268 -0.901 1.00 2.33 C ATOM 447 CE1 PHE A 71 -1.154 -12.379 1.183 1.00 31.44 C ATOM 448 CE2 PHE A 71 -3.246 -11.914 0.124 1.00 11.40 C ATOM 449 CZ PHE A 71 -2.532 -12.469 1.168 1.00 32.11 C ATOM 0 H PHE A 71 1.401 -9.430 -3.226 1.00 34.52 H new ATOM 0 HA PHE A 71 1.204 -11.796 -1.819 1.00 41.30 H new ATOM 0 HB2 PHE A 71 -0.073 -9.529 -1.639 1.00 71.42 H new ATOM 0 HB3 PHE A 71 -1.193 -10.221 -2.797 1.00 71.42 H new ATOM 0 HD1 PHE A 71 0.585 -11.665 0.174 1.00 73.31 H new ATOM 0 HD2 PHE A 71 -3.142 -10.834 -1.714 1.00 2.33 H new ATOM 0 HE1 PHE A 71 -0.593 -12.813 1.997 1.00 31.44 H new ATOM 0 HE2 PHE A 71 -4.324 -11.984 0.108 1.00 11.40 H new ATOM 0 HZ PHE A 71 -3.050 -12.972 1.971 1.00 32.11 H new ATOM 459 N GLY A 72 -0.468 -11.912 -4.677 1.00 53.32 N ATOM 460 CA GLY A 72 -1.043 -12.835 -5.638 1.00 60.41 C ATOM 461 C GLY A 72 -0.082 -13.942 -6.024 1.00 62.32 C ATOM 462 O GLY A 72 -0.384 -15.123 -5.851 1.00 75.53 O ATOM 0 H GLY A 72 -0.531 -10.928 -4.938 1.00 53.32 H new ATOM 0 HA2 GLY A 72 -1.949 -13.274 -5.219 1.00 60.41 H new ATOM 0 HA3 GLY A 72 -1.339 -12.286 -6.532 1.00 60.41 H new ATOM 466 N ILE A 73 1.077 -13.559 -6.550 1.00 22.22 N ATOM 467 CA ILE A 73 2.084 -14.529 -6.963 1.00 61.31 C ATOM 468 C ILE A 73 2.499 -15.420 -5.798 1.00 65.21 C ATOM 469 O ILE A 73 2.693 -16.626 -5.962 1.00 44.41 O ATOM 470 CB ILE A 73 3.334 -13.834 -7.533 1.00 62.22 C ATOM 471 CG1 ILE A 73 2.957 -12.961 -8.732 1.00 44.33 C ATOM 472 CG2 ILE A 73 4.380 -14.865 -7.930 1.00 42.11 C ATOM 473 CD1 ILE A 73 4.045 -11.992 -9.140 1.00 1.21 C ATOM 0 H ILE A 73 1.342 -12.585 -6.700 1.00 22.22 H new ATOM 0 HA ILE A 73 1.631 -15.142 -7.743 1.00 61.31 H new ATOM 0 HB ILE A 73 3.759 -13.194 -6.760 1.00 62.22 H new ATOM 0 HG12 ILE A 73 2.718 -13.604 -9.579 1.00 44.33 H new ATOM 0 HG13 ILE A 73 2.053 -12.400 -8.493 1.00 44.33 H new ATOM 0 HG21 ILE A 73 5.257 -14.357 -8.331 1.00 42.11 H new ATOM 0 HG22 ILE A 73 4.667 -15.448 -7.055 1.00 42.11 H new ATOM 0 HG23 ILE A 73 3.967 -15.529 -8.689 1.00 42.11 H new ATOM 0 HD11 ILE A 73 3.709 -11.406 -9.996 1.00 1.21 H new ATOM 0 HD12 ILE A 73 4.268 -11.324 -8.308 1.00 1.21 H new ATOM 0 HD13 ILE A 73 4.943 -12.547 -9.411 1.00 1.21 H new ATOM 834 N PRO B 150 14.202 18.368 -1.900 1.00 53.14 N ATOM 835 CA PRO B 150 14.293 17.000 -1.383 1.00 74.40 C ATOM 836 C PRO B 150 13.072 16.609 -0.558 1.00 33.15 C ATOM 837 O PRO B 150 12.827 15.426 -0.318 1.00 4.54 O ATOM 838 CB PRO B 150 15.545 17.037 -0.502 1.00 21.25 C ATOM 839 CG PRO B 150 15.678 18.462 -0.092 1.00 35.01 C ATOM 840 CD PRO B 150 15.161 19.275 -1.246 1.00 31.13 C ATOM 0 HA PRO B 150 14.341 16.263 -2.185 1.00 74.40 H new ATOM 0 HB2 PRO B 150 15.439 16.384 0.364 1.00 21.25 H new ATOM 0 HB3 PRO B 150 16.425 16.699 -1.050 1.00 21.25 H new ATOM 0 HG2 PRO B 150 15.106 18.662 0.814 1.00 35.01 H new ATOM 0 HG3 PRO B 150 16.717 18.710 0.126 1.00 35.01 H new ATOM 0 HD2 PRO B 150 14.680 20.192 -0.907 1.00 31.13 H new ATOM 0 HD3 PRO B 150 15.964 19.567 -1.923 1.00 31.13 H new ATOM 848 N LEU B 151 12.309 17.608 -0.129 1.00 60.13 N ATOM 849 CA LEU B 151 11.112 17.368 0.669 1.00 24.11 C ATOM 850 C LEU B 151 10.190 16.366 -0.020 1.00 71.12 C ATOM 851 O LEU B 151 9.550 15.542 0.634 1.00 42.43 O ATOM 852 CB LEU B 151 10.366 18.681 0.913 1.00 64.21 C ATOM 853 CG LEU B 151 10.891 19.547 2.059 1.00 3.54 C ATOM 854 CD1 LEU B 151 11.078 20.985 1.599 1.00 23.12 C ATOM 855 CD2 LEU B 151 9.945 19.486 3.249 1.00 2.54 C ATOM 0 H LEU B 151 12.498 18.592 -0.320 1.00 60.13 H new ATOM 0 HA LEU B 151 11.422 16.950 1.627 1.00 24.11 H new ATOM 0 HB2 LEU B 151 10.397 19.269 -0.004 1.00 64.21 H new ATOM 0 HB3 LEU B 151 9.319 18.450 1.109 1.00 64.21 H new ATOM 0 HG LEU B 151 11.860 19.157 2.369 1.00 3.54 H new ATOM 0 HD11 LEU B 151 11.452 21.586 2.428 1.00 23.12 H new ATOM 0 HD12 LEU B 151 11.794 21.014 0.777 1.00 23.12 H new ATOM 0 HD13 LEU B 151 10.122 21.386 1.262 1.00 23.12 H new ATOM 0 HD21 LEU B 151 10.334 20.108 4.055 1.00 2.54 H new ATOM 0 HD22 LEU B 151 8.962 19.851 2.951 1.00 2.54 H new ATOM 0 HD23 LEU B 151 9.860 18.456 3.594 1.00 2.54 H new ATOM 867 N THR B 152 10.128 16.442 -1.345 1.00 33.31 N ATOM 868 CA THR B 152 9.286 15.541 -2.124 1.00 55.15 C ATOM 869 C THR B 152 9.549 14.087 -1.754 1.00 14.44 C ATOM 870 O THR B 152 8.626 13.272 -1.708 1.00 71.23 O ATOM 871 CB THR B 152 9.516 15.725 -3.636 1.00 5.13 C ATOM 872 OG1 THR B 152 9.486 17.117 -3.971 1.00 40.03 O ATOM 873 CG2 THR B 152 8.457 14.983 -4.437 1.00 30.24 C ATOM 0 H THR B 152 10.651 17.118 -1.902 1.00 33.31 H new ATOM 0 HA THR B 152 8.252 15.791 -1.889 1.00 55.15 H new ATOM 0 HB THR B 152 10.494 15.313 -3.885 1.00 5.13 H new ATOM 0 HG1 THR B 152 9.635 17.225 -4.934 1.00 40.03 H new ATOM 0 HG21 THR B 152 8.639 15.127 -5.502 1.00 30.24 H new ATOM 0 HG22 THR B 152 8.501 13.920 -4.202 1.00 30.24 H new ATOM 0 HG23 THR B 152 7.470 15.370 -4.182 1.00 30.24 H new ATOM 881 N SER B 153 10.811 13.766 -1.491 1.00 44.12 N ATOM 882 CA SER B 153 11.195 12.407 -1.128 1.00 45.10 C ATOM 883 C SER B 153 10.516 11.978 0.169 1.00 2.45 C ATOM 884 O SER B 153 9.774 10.995 0.199 1.00 20.24 O ATOM 885 CB SER B 153 12.714 12.305 -0.979 1.00 44.02 C ATOM 886 OG SER B 153 13.172 11.001 -1.291 1.00 42.33 O ATOM 0 H SER B 153 11.586 14.429 -1.522 1.00 44.12 H new ATOM 0 HA SER B 153 10.870 11.740 -1.926 1.00 45.10 H new ATOM 0 HB2 SER B 153 13.196 13.030 -1.635 1.00 44.02 H new ATOM 0 HB3 SER B 153 13.000 12.560 0.042 1.00 44.02 H new ATOM 0 HG SER B 153 14.146 10.963 -1.190 1.00 42.33 H new ATOM 892 N ILE B 154 10.772 12.723 1.238 1.00 62.25 N ATOM 893 CA ILE B 154 10.186 12.422 2.538 1.00 0.12 C ATOM 894 C ILE B 154 8.673 12.261 2.434 1.00 1.01 C ATOM 895 O ILE B 154 8.103 11.301 2.955 1.00 73.14 O ATOM 896 CB ILE B 154 10.504 13.523 3.568 1.00 2.45 C ATOM 897 CG1 ILE B 154 12.016 13.680 3.728 1.00 72.21 C ATOM 898 CG2 ILE B 154 9.855 13.199 4.906 1.00 13.23 C ATOM 899 CD1 ILE B 154 12.712 12.413 4.175 1.00 32.31 C ATOM 0 H ILE B 154 11.382 13.540 1.230 1.00 62.25 H new ATOM 0 HA ILE B 154 10.627 11.484 2.874 1.00 0.12 H new ATOM 0 HB ILE B 154 10.096 14.467 3.207 1.00 2.45 H new ATOM 0 HG12 ILE B 154 12.442 14.003 2.778 1.00 72.21 H new ATOM 0 HG13 ILE B 154 12.216 14.470 4.452 1.00 72.21 H new ATOM 0 HG21 ILE B 154 10.088 13.986 5.624 1.00 13.23 H new ATOM 0 HG22 ILE B 154 8.774 13.132 4.780 1.00 13.23 H new ATOM 0 HG23 ILE B 154 10.237 12.247 5.274 1.00 13.23 H new ATOM 0 HD11 ILE B 154 13.782 12.599 4.267 1.00 32.31 H new ATOM 0 HD12 ILE B 154 12.313 12.100 5.140 1.00 32.31 H new ATOM 0 HD13 ILE B 154 12.543 11.626 3.440 1.00 32.31 H new ATOM 911 N ILE B 155 8.028 13.204 1.756 1.00 10.01 N ATOM 912 CA ILE B 155 6.582 13.164 1.581 1.00 12.40 C ATOM 913 C ILE B 155 6.160 11.951 0.759 1.00 23.40 C ATOM 914 O ILE B 155 5.154 11.306 1.055 1.00 71.12 O ATOM 915 CB ILE B 155 6.063 14.441 0.893 1.00 1.05 C ATOM 916 CG1 ILE B 155 6.493 15.681 1.680 1.00 10.23 C ATOM 917 CG2 ILE B 155 4.548 14.391 0.757 1.00 42.11 C ATOM 918 CD1 ILE B 155 5.886 15.758 3.063 1.00 62.55 C ATOM 0 H ILE B 155 8.484 14.005 1.319 1.00 10.01 H new ATOM 0 HA ILE B 155 6.146 13.094 2.578 1.00 12.40 H new ATOM 0 HB ILE B 155 6.496 14.500 -0.106 1.00 1.05 H new ATOM 0 HG12 ILE B 155 7.579 15.687 1.768 1.00 10.23 H new ATOM 0 HG13 ILE B 155 6.213 16.573 1.119 1.00 10.23 H new ATOM 0 HG21 ILE B 155 4.196 15.300 0.269 1.00 42.11 H new ATOM 0 HG22 ILE B 155 4.265 13.525 0.159 1.00 42.11 H new ATOM 0 HG23 ILE B 155 4.096 14.312 1.746 1.00 42.11 H new ATOM 0 HD11 ILE B 155 6.234 16.662 3.563 1.00 62.55 H new ATOM 0 HD12 ILE B 155 4.799 15.784 2.982 1.00 62.55 H new ATOM 0 HD13 ILE B 155 6.186 14.884 3.641 1.00 62.55 H new ATOM 930 N SER B 156 6.938 11.643 -0.274 1.00 60.42 N ATOM 931 CA SER B 156 6.645 10.508 -1.141 1.00 2.00 C ATOM 932 C SER B 156 6.596 9.211 -0.338 1.00 14.20 C ATOM 933 O SER B 156 5.668 8.415 -0.482 1.00 24.32 O ATOM 934 CB SER B 156 7.697 10.397 -2.246 1.00 54.55 C ATOM 935 OG SER B 156 8.111 9.054 -2.424 1.00 50.33 O ATOM 0 H SER B 156 7.776 12.164 -0.531 1.00 60.42 H new ATOM 0 HA SER B 156 5.668 10.672 -1.595 1.00 2.00 H new ATOM 0 HB2 SER B 156 7.289 10.782 -3.181 1.00 54.55 H new ATOM 0 HB3 SER B 156 8.558 11.016 -1.996 1.00 54.55 H new ATOM 0 HG SER B 156 8.782 9.010 -3.137 1.00 50.33 H new ATOM 941 N ALA B 157 7.601 9.006 0.506 1.00 51.14 N ATOM 942 CA ALA B 157 7.673 7.808 1.333 1.00 12.10 C ATOM 943 C ALA B 157 6.534 7.771 2.345 1.00 5.52 C ATOM 944 O ALA B 157 5.837 6.765 2.475 1.00 25.31 O ATOM 945 CB ALA B 157 9.016 7.737 2.044 1.00 1.10 C ATOM 0 H ALA B 157 8.377 9.655 0.635 1.00 51.14 H new ATOM 0 HA ALA B 157 7.574 6.940 0.681 1.00 12.10 H new ATOM 0 HB1 ALA B 157 9.056 6.837 2.658 1.00 1.10 H new ATOM 0 HB2 ALA B 157 9.817 7.708 1.306 1.00 1.10 H new ATOM 0 HB3 ALA B 157 9.139 8.615 2.678 1.00 1.10 H new ATOM 951 N VAL B 158 6.348 8.875 3.062 1.00 61.41 N ATOM 952 CA VAL B 158 5.293 8.969 4.063 1.00 5.35 C ATOM 953 C VAL B 158 3.948 8.545 3.485 1.00 32.12 C ATOM 954 O VAL B 158 3.160 7.869 4.147 1.00 40.13 O ATOM 955 CB VAL B 158 5.172 10.400 4.620 1.00 72.52 C ATOM 956 CG1 VAL B 158 4.005 10.500 5.591 1.00 35.33 C ATOM 957 CG2 VAL B 158 6.471 10.823 5.290 1.00 24.33 C ATOM 0 H VAL B 158 6.915 9.717 2.968 1.00 61.41 H new ATOM 0 HA VAL B 158 5.566 8.294 4.874 1.00 5.35 H new ATOM 0 HB VAL B 158 4.980 11.079 3.789 1.00 72.52 H new ATOM 0 HG11 VAL B 158 3.936 11.518 5.974 1.00 35.33 H new ATOM 0 HG12 VAL B 158 3.080 10.243 5.076 1.00 35.33 H new ATOM 0 HG13 VAL B 158 4.162 9.811 6.421 1.00 35.33 H new ATOM 0 HG21 VAL B 158 6.367 11.836 5.678 1.00 24.33 H new ATOM 0 HG22 VAL B 158 6.696 10.142 6.111 1.00 24.33 H new ATOM 0 HG23 VAL B 158 7.282 10.794 4.562 1.00 24.33 H new ATOM 967 N VAL B 159 3.691 8.947 2.244 1.00 3.44 N ATOM 968 CA VAL B 159 2.441 8.608 1.574 1.00 3.04 C ATOM 969 C VAL B 159 2.374 7.118 1.256 1.00 71.10 C ATOM 970 O VAL B 159 1.340 6.478 1.442 1.00 71.32 O ATOM 971 CB VAL B 159 2.267 9.409 0.270 1.00 63.11 C ATOM 972 CG1 VAL B 159 0.958 9.042 -0.412 1.00 1.11 C ATOM 973 CG2 VAL B 159 2.331 10.903 0.551 1.00 31.21 C ATOM 0 H VAL B 159 4.332 9.508 1.682 1.00 3.44 H new ATOM 0 HA VAL B 159 1.634 8.867 2.260 1.00 3.04 H new ATOM 0 HB VAL B 159 3.084 9.154 -0.405 1.00 63.11 H new ATOM 0 HG11 VAL B 159 0.853 9.618 -1.331 1.00 1.11 H new ATOM 0 HG12 VAL B 159 0.957 7.978 -0.648 1.00 1.11 H new ATOM 0 HG13 VAL B 159 0.125 9.267 0.254 1.00 1.11 H new ATOM 0 HG21 VAL B 159 2.206 11.454 -0.381 1.00 31.21 H new ATOM 0 HG22 VAL B 159 1.536 11.177 1.244 1.00 31.21 H new ATOM 0 HG23 VAL B 159 3.297 11.149 0.992 1.00 31.21 H new ATOM 983 N GLY B 160 3.487 6.572 0.774 1.00 31.34 N ATOM 984 CA GLY B 160 3.534 5.160 0.438 1.00 75.24 C ATOM 985 C GLY B 160 3.334 4.269 1.647 1.00 11.23 C ATOM 986 O GLY B 160 2.508 3.355 1.622 1.00 52.25 O ATOM 0 H GLY B 160 4.356 7.081 0.610 1.00 31.34 H new ATOM 0 HA2 GLY B 160 2.765 4.940 -0.302 1.00 75.24 H new ATOM 0 HA3 GLY B 160 4.495 4.931 -0.023 1.00 75.24 H new ATOM 990 N ILE B 161 4.090 4.533 2.706 1.00 31.42 N ATOM 991 CA ILE B 161 3.992 3.746 3.929 1.00 51.32 C ATOM 992 C ILE B 161 2.633 3.934 4.596 1.00 53.12 C ATOM 993 O ILE B 161 2.126 3.031 5.264 1.00 75.42 O ATOM 994 CB ILE B 161 5.098 4.123 4.932 1.00 21.40 C ATOM 995 CG1 ILE B 161 6.476 3.984 4.280 1.00 54.51 C ATOM 996 CG2 ILE B 161 5.006 3.251 6.176 1.00 55.01 C ATOM 997 CD1 ILE B 161 7.612 4.449 5.164 1.00 21.13 C ATOM 0 H ILE B 161 4.777 5.286 2.742 1.00 31.42 H new ATOM 0 HA ILE B 161 4.113 2.701 3.642 1.00 51.32 H new ATOM 0 HB ILE B 161 4.959 5.162 5.229 1.00 21.40 H new ATOM 0 HG12 ILE B 161 6.639 2.940 4.012 1.00 54.51 H new ATOM 0 HG13 ILE B 161 6.490 4.557 3.353 1.00 54.51 H new ATOM 0 HG21 ILE B 161 5.795 3.530 6.875 1.00 55.01 H new ATOM 0 HG22 ILE B 161 4.034 3.394 6.649 1.00 55.01 H new ATOM 0 HG23 ILE B 161 5.123 2.204 5.896 1.00 55.01 H new ATOM 0 HD11 ILE B 161 8.558 4.322 4.638 1.00 21.13 H new ATOM 0 HD12 ILE B 161 7.473 5.501 5.411 1.00 21.13 H new ATOM 0 HD13 ILE B 161 7.624 3.859 6.081 1.00 21.13 H new ATOM 1009 N LEU B 162 2.046 5.111 4.408 1.00 33.35 N ATOM 1010 CA LEU B 162 0.743 5.417 4.988 1.00 63.33 C ATOM 1011 C LEU B 162 -0.359 4.609 4.311 1.00 45.13 C ATOM 1012 O LEU B 162 -1.208 4.017 4.979 1.00 33.30 O ATOM 1013 CB LEU B 162 0.446 6.913 4.862 1.00 4.02 C ATOM 1014 CG LEU B 162 -0.877 7.386 5.463 1.00 44.54 C ATOM 1015 CD1 LEU B 162 -0.629 8.391 6.578 1.00 24.24 C ATOM 1016 CD2 LEU B 162 -1.766 7.993 4.386 1.00 61.13 C ATOM 0 H LEU B 162 2.452 5.869 3.859 1.00 33.35 H new ATOM 0 HA LEU B 162 0.770 5.145 6.043 1.00 63.33 H new ATOM 0 HB2 LEU B 162 1.256 7.465 5.338 1.00 4.02 H new ATOM 0 HB3 LEU B 162 0.457 7.178 3.805 1.00 4.02 H new ATOM 0 HG LEU B 162 -1.390 6.522 5.887 1.00 44.54 H new ATOM 0 HD11 LEU B 162 -1.583 8.716 6.993 1.00 24.24 H new ATOM 0 HD12 LEU B 162 -0.032 7.925 7.362 1.00 24.24 H new ATOM 0 HD13 LEU B 162 -0.094 9.253 6.179 1.00 24.24 H new ATOM 0 HD21 LEU B 162 -2.704 8.324 4.832 1.00 61.13 H new ATOM 0 HD22 LEU B 162 -1.259 8.845 3.933 1.00 61.13 H new ATOM 0 HD23 LEU B 162 -1.973 7.245 3.621 1.00 61.13 H new ATOM 1028 N LEU B 163 -0.339 4.588 2.983 1.00 42.04 N ATOM 1029 CA LEU B 163 -1.335 3.850 2.214 1.00 44.33 C ATOM 1030 C LEU B 163 -1.251 2.356 2.507 1.00 34.33 C ATOM 1031 O LEU B 163 -2.269 1.671 2.593 1.00 2.25 O ATOM 1032 CB LEU B 163 -1.142 4.102 0.718 1.00 31.14 C ATOM 1033 CG LEU B 163 -2.417 4.154 -0.124 1.00 41.42 C ATOM 1034 CD1 LEU B 163 -3.245 2.895 0.083 1.00 34.24 C ATOM 1035 CD2 LEU B 163 -3.233 5.392 0.220 1.00 73.42 C ATOM 0 H LEU B 163 0.356 5.074 2.416 1.00 42.04 H new ATOM 0 HA LEU B 163 -2.323 4.203 2.510 1.00 44.33 H new ATOM 0 HB2 LEU B 163 -0.610 5.046 0.595 1.00 31.14 H new ATOM 0 HB3 LEU B 163 -0.498 3.319 0.318 1.00 31.14 H new ATOM 0 HG LEU B 163 -2.133 4.210 -1.175 1.00 41.42 H new ATOM 0 HD11 LEU B 163 -4.149 2.950 -0.524 1.00 34.24 H new ATOM 0 HD12 LEU B 163 -2.662 2.023 -0.213 1.00 34.24 H new ATOM 0 HD13 LEU B 163 -3.519 2.809 1.134 1.00 34.24 H new ATOM 0 HD21 LEU B 163 -4.137 5.413 -0.389 1.00 73.42 H new ATOM 0 HD22 LEU B 163 -3.506 5.366 1.275 1.00 73.42 H new ATOM 0 HD23 LEU B 163 -2.641 6.285 0.021 1.00 73.42 H new ATOM 1047 N VAL B 164 -0.029 1.856 2.659 1.00 31.42 N ATOM 1048 CA VAL B 164 0.190 0.442 2.945 1.00 14.31 C ATOM 1049 C VAL B 164 -0.450 0.045 4.270 1.00 14.25 C ATOM 1050 O VAL B 164 -1.282 -0.862 4.323 1.00 33.44 O ATOM 1051 CB VAL B 164 1.692 0.104 2.991 1.00 55.43 C ATOM 1052 CG1 VAL B 164 1.899 -1.366 3.322 1.00 52.45 C ATOM 1053 CG2 VAL B 164 2.358 0.461 1.670 1.00 5.13 C ATOM 0 H VAL B 164 0.825 2.409 2.589 1.00 31.42 H new ATOM 0 HA VAL B 164 -0.276 -0.121 2.136 1.00 14.31 H new ATOM 0 HB VAL B 164 2.157 0.697 3.779 1.00 55.43 H new ATOM 0 HG11 VAL B 164 2.966 -1.586 3.350 1.00 52.45 H new ATOM 0 HG12 VAL B 164 1.458 -1.586 4.294 1.00 52.45 H new ATOM 0 HG13 VAL B 164 1.422 -1.981 2.559 1.00 52.45 H new ATOM 0 HG21 VAL B 164 3.419 0.216 1.719 1.00 5.13 H new ATOM 0 HG22 VAL B 164 1.892 -0.105 0.863 1.00 5.13 H new ATOM 0 HG23 VAL B 164 2.241 1.528 1.480 1.00 5.13 H new ATOM 1063 N VAL B 165 -0.059 0.729 5.339 1.00 75.55 N ATOM 1064 CA VAL B 165 -0.595 0.448 6.665 1.00 50.44 C ATOM 1065 C VAL B 165 -2.120 0.463 6.655 1.00 24.53 C ATOM 1066 O VAL B 165 -2.763 -0.457 7.162 1.00 61.52 O ATOM 1067 CB VAL B 165 -0.090 1.469 7.703 1.00 1.13 C ATOM 1068 CG1 VAL B 165 -0.682 1.175 9.073 1.00 53.21 C ATOM 1069 CG2 VAL B 165 1.430 1.465 7.758 1.00 31.35 C ATOM 0 H VAL B 165 0.628 1.483 5.313 1.00 75.55 H new ATOM 0 HA VAL B 165 -0.245 -0.546 6.944 1.00 50.44 H new ATOM 0 HB VAL B 165 -0.417 2.463 7.398 1.00 1.13 H new ATOM 0 HG11 VAL B 165 -0.314 1.906 9.793 1.00 53.21 H new ATOM 0 HG12 VAL B 165 -1.769 1.233 9.020 1.00 53.21 H new ATOM 0 HG13 VAL B 165 -0.388 0.174 9.389 1.00 53.21 H new ATOM 0 HG21 VAL B 165 1.769 2.192 8.496 1.00 31.35 H new ATOM 0 HG22 VAL B 165 1.781 0.472 8.038 1.00 31.35 H new ATOM 0 HG23 VAL B 165 1.830 1.728 6.779 1.00 31.35 H new ATOM 1079 N VAL B 166 -2.693 1.511 6.074 1.00 61.35 N ATOM 1080 CA VAL B 166 -4.142 1.645 5.997 1.00 5.31 C ATOM 1081 C VAL B 166 -4.771 0.428 5.328 1.00 1.21 C ATOM 1082 O VAL B 166 -5.839 -0.034 5.732 1.00 24.24 O ATOM 1083 CB VAL B 166 -4.548 2.912 5.220 1.00 23.05 C ATOM 1084 CG1 VAL B 166 -6.063 3.015 5.122 1.00 43.04 C ATOM 1085 CG2 VAL B 166 -3.962 4.151 5.879 1.00 41.13 C ATOM 0 H VAL B 166 -2.175 2.280 5.649 1.00 61.35 H new ATOM 0 HA VAL B 166 -4.508 1.723 7.021 1.00 5.31 H new ATOM 0 HB VAL B 166 -4.147 2.842 4.209 1.00 23.05 H new ATOM 0 HG11 VAL B 166 -6.332 3.916 4.570 1.00 43.04 H new ATOM 0 HG12 VAL B 166 -6.454 2.141 4.602 1.00 43.04 H new ATOM 0 HG13 VAL B 166 -6.490 3.062 6.124 1.00 43.04 H new ATOM 0 HG21 VAL B 166 -4.259 5.037 5.317 1.00 41.13 H new ATOM 0 HG22 VAL B 166 -4.332 4.229 6.901 1.00 41.13 H new ATOM 0 HG23 VAL B 166 -2.875 4.077 5.891 1.00 41.13 H new ATOM 1095 N LEU B 167 -4.103 -0.087 4.302 1.00 35.14 N ATOM 1096 CA LEU B 167 -4.595 -1.252 3.575 1.00 5.54 C ATOM 1097 C LEU B 167 -4.636 -2.481 4.479 1.00 40.23 C ATOM 1098 O LEU B 167 -5.652 -3.170 4.561 1.00 54.24 O ATOM 1099 CB LEU B 167 -3.712 -1.530 2.358 1.00 32.24 C ATOM 1100 CG LEU B 167 -4.401 -2.196 1.166 1.00 62.14 C ATOM 1101 CD1 LEU B 167 -4.955 -3.556 1.562 1.00 11.21 C ATOM 1102 CD2 LEU B 167 -5.507 -1.304 0.623 1.00 10.02 C ATOM 0 H LEU B 167 -3.219 0.284 3.954 1.00 35.14 H new ATOM 0 HA LEU B 167 -5.609 -1.037 3.238 1.00 5.54 H new ATOM 0 HB2 LEU B 167 -3.283 -0.586 2.023 1.00 32.24 H new ATOM 0 HB3 LEU B 167 -2.883 -2.163 2.673 1.00 32.24 H new ATOM 0 HG LEU B 167 -3.662 -2.343 0.379 1.00 62.14 H new ATOM 0 HD11 LEU B 167 -5.442 -4.015 0.702 1.00 11.21 H new ATOM 0 HD12 LEU B 167 -4.141 -4.196 1.902 1.00 11.21 H new ATOM 0 HD13 LEU B 167 -5.680 -3.433 2.366 1.00 11.21 H new ATOM 0 HD21 LEU B 167 -5.986 -1.794 -0.225 1.00 10.02 H new ATOM 0 HD22 LEU B 167 -6.246 -1.125 1.404 1.00 10.02 H new ATOM 0 HD23 LEU B 167 -5.082 -0.353 0.300 1.00 10.02 H new ATOM 1114 N GLY B 168 -3.524 -2.746 5.157 1.00 4.15 N ATOM 1115 CA GLY B 168 -3.455 -3.891 6.048 1.00 51.20 C ATOM 1116 C GLY B 168 -4.553 -3.879 7.094 1.00 12.43 C ATOM 1117 O GLY B 168 -5.185 -4.903 7.353 1.00 32.20 O ATOM 0 H GLY B 168 -2.671 -2.190 5.106 1.00 4.15 H new ATOM 0 HA2 GLY B 168 -3.525 -4.808 5.463 1.00 51.20 H new ATOM 0 HA3 GLY B 168 -2.485 -3.903 6.544 1.00 51.20 H new ATOM 1121 N VAL B 169 -4.781 -2.717 7.697 1.00 62.43 N ATOM 1122 CA VAL B 169 -5.809 -2.575 8.721 1.00 13.45 C ATOM 1123 C VAL B 169 -7.184 -2.942 8.172 1.00 51.23 C ATOM 1124 O VAL B 169 -7.921 -3.717 8.781 1.00 24.02 O ATOM 1125 CB VAL B 169 -5.856 -1.139 9.276 1.00 33.52 C ATOM 1126 CG1 VAL B 169 -6.972 -0.998 10.299 1.00 1.30 C ATOM 1127 CG2 VAL B 169 -4.514 -0.759 9.883 1.00 31.31 C ATOM 0 H VAL B 169 -4.267 -1.860 7.494 1.00 62.43 H new ATOM 0 HA VAL B 169 -5.548 -3.259 9.529 1.00 13.45 H new ATOM 0 HB VAL B 169 -6.063 -0.456 8.452 1.00 33.52 H new ATOM 0 HG11 VAL B 169 -6.990 0.023 10.680 1.00 1.30 H new ATOM 0 HG12 VAL B 169 -7.928 -1.226 9.828 1.00 1.30 H new ATOM 0 HG13 VAL B 169 -6.799 -1.690 11.123 1.00 1.30 H new ATOM 0 HG21 VAL B 169 -4.565 0.259 10.270 1.00 31.31 H new ATOM 0 HG22 VAL B 169 -4.275 -1.445 10.696 1.00 31.31 H new ATOM 0 HG23 VAL B 169 -3.739 -0.818 9.119 1.00 31.31 H new ATOM 1137 N VAL B 170 -7.525 -2.377 7.018 1.00 62.43 N ATOM 1138 CA VAL B 170 -8.810 -2.645 6.385 1.00 3.22 C ATOM 1139 C VAL B 170 -8.983 -4.132 6.100 1.00 24.24 C ATOM 1140 O VAL B 170 -9.971 -4.744 6.509 1.00 70.11 O ATOM 1141 CB VAL B 170 -8.963 -1.860 5.069 1.00 24.12 C ATOM 1142 CG1 VAL B 170 -10.343 -2.084 4.471 1.00 1.45 C ATOM 1143 CG2 VAL B 170 -8.706 -0.379 5.300 1.00 32.11 C ATOM 0 H VAL B 170 -6.928 -1.730 6.502 1.00 62.43 H new ATOM 0 HA VAL B 170 -9.580 -2.320 7.084 1.00 3.22 H new ATOM 0 HB VAL B 170 -8.222 -2.227 4.358 1.00 24.12 H new ATOM 0 HG11 VAL B 170 -10.433 -1.521 3.542 1.00 1.45 H new ATOM 0 HG12 VAL B 170 -10.483 -3.146 4.268 1.00 1.45 H new ATOM 0 HG13 VAL B 170 -11.104 -1.746 5.175 1.00 1.45 H new ATOM 0 HG21 VAL B 170 -8.818 0.161 4.360 1.00 32.11 H new ATOM 0 HG22 VAL B 170 -9.422 0.005 6.027 1.00 32.11 H new ATOM 0 HG23 VAL B 170 -7.694 -0.240 5.679 1.00 32.11 H new ATOM 1153 N PHE B 171 -8.015 -4.711 5.397 1.00 23.54 N ATOM 1154 CA PHE B 171 -8.060 -6.129 5.057 1.00 61.13 C ATOM 1155 C PHE B 171 -8.282 -6.981 6.303 1.00 31.14 C ATOM 1156 O PHE B 171 -9.202 -7.796 6.355 1.00 54.13 O ATOM 1157 CB PHE B 171 -6.764 -6.550 4.362 1.00 75.20 C ATOM 1158 CG PHE B 171 -6.901 -7.800 3.542 1.00 0.40 C ATOM 1159 CD1 PHE B 171 -7.922 -7.927 2.613 1.00 52.02 C ATOM 1160 CD2 PHE B 171 -6.010 -8.849 3.698 1.00 44.44 C ATOM 1161 CE1 PHE B 171 -8.051 -9.076 1.858 1.00 3.11 C ATOM 1162 CE2 PHE B 171 -6.134 -10.002 2.946 1.00 13.13 C ATOM 1163 CZ PHE B 171 -7.156 -10.115 2.024 1.00 32.35 C ATOM 0 H PHE B 171 -7.190 -4.220 5.052 1.00 23.54 H new ATOM 0 HA PHE B 171 -8.897 -6.287 4.377 1.00 61.13 H new ATOM 0 HB2 PHE B 171 -6.427 -5.738 3.718 1.00 75.20 H new ATOM 0 HB3 PHE B 171 -5.991 -6.702 5.115 1.00 75.20 H new ATOM 0 HD1 PHE B 171 -8.625 -7.118 2.478 1.00 52.02 H new ATOM 0 HD2 PHE B 171 -5.208 -8.765 4.416 1.00 44.44 H new ATOM 0 HE1 PHE B 171 -8.851 -9.162 1.138 1.00 3.11 H new ATOM 0 HE2 PHE B 171 -5.433 -10.813 3.079 1.00 13.13 H new ATOM 0 HZ PHE B 171 -7.255 -11.014 1.434 1.00 32.35 H new ATOM 1173 N GLY B 172 -7.431 -6.786 7.305 1.00 45.31 N ATOM 1174 CA GLY B 172 -7.549 -7.543 8.538 1.00 2.04 C ATOM 1175 C GLY B 172 -8.946 -7.480 9.124 1.00 64.51 C ATOM 1176 O GLY B 172 -9.594 -8.510 9.314 1.00 63.25 O ATOM 0 H GLY B 172 -6.661 -6.117 7.285 1.00 45.31 H new ATOM 0 HA2 GLY B 172 -7.284 -8.583 8.349 1.00 2.04 H new ATOM 0 HA3 GLY B 172 -6.835 -7.159 9.266 1.00 2.04 H new ATOM 1180 N ILE B 173 -9.410 -6.269 9.414 1.00 33.23 N ATOM 1181 CA ILE B 173 -10.738 -6.077 9.983 1.00 40.32 C ATOM 1182 C ILE B 173 -11.814 -6.676 9.084 1.00 43.31 C ATOM 1183 O ILE B 173 -12.776 -7.278 9.564 1.00 74.23 O ATOM 1184 CB ILE B 173 -11.044 -4.584 10.207 1.00 52.11 C ATOM 1185 CG1 ILE B 173 -10.002 -3.961 11.138 1.00 73.20 C ATOM 1186 CG2 ILE B 173 -12.443 -4.409 10.777 1.00 4.04 C ATOM 1187 CD1 ILE B 173 -10.024 -2.449 11.144 1.00 53.12 C ATOM 0 H ILE B 173 -8.886 -5.407 9.264 1.00 33.23 H new ATOM 0 HA ILE B 173 -10.746 -6.589 10.945 1.00 40.32 H new ATOM 0 HB ILE B 173 -10.998 -4.071 9.246 1.00 52.11 H new ATOM 0 HG12 ILE B 173 -10.171 -4.323 12.152 1.00 73.20 H new ATOM 0 HG13 ILE B 173 -9.010 -4.301 10.839 1.00 73.20 H new ATOM 0 HG21 ILE B 173 -12.644 -3.349 10.930 1.00 4.04 H new ATOM 0 HG22 ILE B 173 -13.174 -4.820 10.081 1.00 4.04 H new ATOM 0 HG23 ILE B 173 -12.516 -4.933 11.730 1.00 4.04 H new ATOM 0 HD11 ILE B 173 -9.259 -2.077 11.826 1.00 53.12 H new ATOM 0 HD12 ILE B 173 -9.825 -2.078 10.138 1.00 53.12 H new ATOM 0 HD13 ILE B 173 -11.003 -2.101 11.472 1.00 53.12 H new ATOM 1199 N LEU B 174 -11.645 -6.509 7.777 1.00 52.34 N ATOM 1200 CA LEU B 174 -12.600 -7.034 6.808 1.00 3.42 C ATOM 1201 C LEU B 174 -12.732 -8.548 6.940 1.00 45.32 C ATOM 1202 O LEU B 174 -13.821 -9.066 7.191 1.00 32.14 O ATOM 1203 CB LEU B 174 -12.169 -6.670 5.387 1.00 3.21 C ATOM 1204 CG LEU B 174 -12.548 -5.268 4.908 1.00 2.54 C ATOM 1205 CD1 LEU B 174 -12.016 -5.020 3.506 1.00 75.40 C ATOM 1206 CD2 LEU B 174 -14.059 -5.082 4.947 1.00 21.45 C ATOM 0 H LEU B 174 -10.855 -6.014 7.364 1.00 52.34 H new ATOM 0 HA LEU B 174 -13.571 -6.583 7.012 1.00 3.42 H new ATOM 0 HB2 LEU B 174 -11.086 -6.775 5.319 1.00 3.21 H new ATOM 0 HB3 LEU B 174 -12.603 -7.396 4.700 1.00 3.21 H new ATOM 0 HG LEU B 174 -12.094 -4.540 5.580 1.00 2.54 H new ATOM 0 HD11 LEU B 174 -12.296 -4.017 3.183 1.00 75.40 H new ATOM 0 HD12 LEU B 174 -10.930 -5.111 3.508 1.00 75.40 H new ATOM 0 HD13 LEU B 174 -12.440 -5.754 2.821 1.00 75.40 H new ATOM 0 HD21 LEU B 174 -14.311 -4.079 4.603 1.00 21.45 H new ATOM 0 HD22 LEU B 174 -14.533 -5.818 4.298 1.00 21.45 H new ATOM 0 HD23 LEU B 174 -14.416 -5.216 5.968 1.00 21.45 H new ATOM 1218 N ILE B 175 -11.618 -9.250 6.772 1.00 23.32 N ATOM 1219 CA ILE B 175 -11.608 -10.704 6.876 1.00 41.11 C ATOM 1220 C ILE B 175 -12.219 -11.166 8.195 1.00 61.02 C ATOM 1221 O ILE B 175 -12.959 -12.149 8.239 1.00 52.24 O ATOM 1222 CB ILE B 175 -10.180 -11.268 6.760 1.00 31.12 C ATOM 1223 CG1 ILE B 175 -9.549 -10.850 5.430 1.00 52.53 C ATOM 1224 CG2 ILE B 175 -10.196 -12.783 6.891 1.00 23.12 C ATOM 1225 CD1 ILE B 175 -8.069 -11.151 5.342 1.00 12.53 C ATOM 0 H ILE B 175 -10.710 -8.836 6.563 1.00 23.32 H new ATOM 0 HA ILE B 175 -12.208 -11.082 6.048 1.00 41.11 H new ATOM 0 HB ILE B 175 -9.578 -10.859 7.571 1.00 31.12 H new ATOM 0 HG12 ILE B 175 -10.064 -11.360 4.616 1.00 52.53 H new ATOM 0 HG13 ILE B 175 -9.703 -9.781 5.284 1.00 52.53 H new ATOM 0 HG21 ILE B 175 -9.179 -13.166 6.807 1.00 23.12 H new ATOM 0 HG22 ILE B 175 -10.609 -13.060 7.861 1.00 23.12 H new ATOM 0 HG23 ILE B 175 -10.811 -13.210 6.099 1.00 23.12 H new ATOM 0 HD11 ILE B 175 -7.689 -10.828 4.373 1.00 12.53 H new ATOM 0 HD12 ILE B 175 -7.542 -10.619 6.134 1.00 12.53 H new ATOM 0 HD13 ILE B 175 -7.908 -12.223 5.456 1.00 12.53 H new ATOM 1237 N LYS B 176 -11.906 -10.448 9.268 1.00 52.31 N ATOM 1238 CA LYS B 176 -12.426 -10.779 10.590 1.00 14.24 C ATOM 1239 C LYS B 176 -13.941 -10.601 10.639 1.00 71.41 C ATOM 1240 O LYS B 176 -14.666 -11.491 11.083 1.00 25.42 O ATOM 1241 CB LYS B 176 -11.764 -9.904 11.656 1.00 13.43 C ATOM 1242 CG LYS B 176 -10.616 -10.588 12.378 1.00 33.35 C ATOM 1243 CD LYS B 176 -9.551 -9.591 12.802 1.00 42.01 C ATOM 1244 CE LYS B 176 -8.202 -10.265 12.994 1.00 63.40 C ATOM 1245 NZ LYS B 176 -7.247 -9.395 13.736 1.00 51.22 N ATOM 0 H LYS B 176 -11.294 -9.632 9.248 1.00 52.31 H new ATOM 0 HA LYS B 176 -12.194 -11.825 10.793 1.00 14.24 H new ATOM 0 HB2 LYS B 176 -11.395 -8.992 11.187 1.00 13.43 H new ATOM 0 HB3 LYS B 176 -12.515 -9.606 12.387 1.00 13.43 H new ATOM 0 HG2 LYS B 176 -10.997 -11.110 13.256 1.00 33.35 H new ATOM 0 HG3 LYS B 176 -10.172 -11.341 11.727 1.00 33.35 H new ATOM 0 HD2 LYS B 176 -9.464 -8.808 12.049 1.00 42.01 H new ATOM 0 HD3 LYS B 176 -9.853 -9.108 13.731 1.00 42.01 H new ATOM 0 HE2 LYS B 176 -8.338 -11.201 13.537 1.00 63.40 H new ATOM 0 HE3 LYS B 176 -7.781 -10.519 12.021 1.00 63.40 H new ATOM 0 HZ1 LYS B 176 -6.339 -9.891 13.846 1.00 51.22 H new ATOM 0 HZ2 LYS B 176 -7.098 -8.513 13.206 1.00 51.22 H new ATOM 0 HZ3 LYS B 176 -7.637 -9.173 14.674 1.00 51.22 H new ATOM 1259 N ARG B 177 -14.411 -9.447 10.179 1.00 42.14 N ATOM 1260 CA ARG B 177 -15.839 -9.152 10.171 1.00 4.35 C ATOM 1261 C ARG B 177 -16.610 -10.224 9.406 1.00 15.41 C ATOM 1262 O ARG B 177 -17.594 -10.770 9.905 1.00 43.50 O ATOM 1263 CB ARG B 177 -16.096 -7.780 9.547 1.00 74.12 C ATOM 1264 CG ARG B 177 -16.179 -6.654 10.564 1.00 55.41 C ATOM 1265 CD ARG B 177 -17.497 -5.901 10.455 1.00 31.44 C ATOM 1266 NE ARG B 177 -17.744 -5.424 9.097 1.00 2.14 N ATOM 1267 CZ ARG B 177 -18.852 -4.789 8.732 1.00 60.53 C ATOM 1268 NH1 ARG B 177 -19.809 -4.555 9.619 1.00 41.24 N ATOM 1269 NH2 ARG B 177 -19.004 -4.385 7.477 1.00 32.34 N ATOM 0 H ARG B 177 -13.824 -8.700 9.807 1.00 42.14 H new ATOM 0 HA ARG B 177 -16.188 -9.143 11.203 1.00 4.35 H new ATOM 0 HB2 ARG B 177 -15.300 -7.558 8.837 1.00 74.12 H new ATOM 0 HB3 ARG B 177 -17.027 -7.816 8.981 1.00 74.12 H new ATOM 0 HG2 ARG B 177 -16.074 -7.062 11.569 1.00 55.41 H new ATOM 0 HG3 ARG B 177 -15.350 -5.963 10.412 1.00 55.41 H new ATOM 0 HD2 ARG B 177 -18.314 -6.553 10.764 1.00 31.44 H new ATOM 0 HD3 ARG B 177 -17.488 -5.054 11.141 1.00 31.44 H new ATOM 0 HE ARG B 177 -17.027 -5.587 8.390 1.00 2.14 H new ATOM 0 HH11 ARG B 177 -19.696 -4.863 10.585 1.00 41.24 H new ATOM 0 HH12 ARG B 177 -20.659 -4.067 9.336 1.00 41.24 H new ATOM 0 HH21 ARG B 177 -18.270 -4.562 6.792 1.00 32.34 H new ATOM 0 HH22 ARG B 177 -19.855 -3.897 7.198 1.00 32.34 H new