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 Set 1.1: A 52 THR OG1 : rot -65:sc= 0.1 USER MOD Set 1.2: B 152 THR OG1 : rot 180:sc= 0.094 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -47:sc= 1.08 USER MOD Single : B 153 SER OG : rot 180:sc= 0 USER MOD Single : B 156 SER OG : rot -46:sc= 0.998 USER MOD Single : B 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 50 3.069 22.247 -5.205 1.00 42.14 N ATOM 121 CA PRO A 50 2.007 21.245 -5.332 1.00 3.51 C ATOM 122 C PRO A 50 2.496 19.962 -5.995 1.00 64.23 C ATOM 123 O PRO A 50 1.898 18.899 -5.830 1.00 23.51 O ATOM 124 CB PRO A 50 0.967 21.940 -6.214 1.00 14.22 C ATOM 125 CG PRO A 50 1.744 22.941 -6.999 1.00 2.13 C ATOM 126 CD PRO A 50 2.859 23.398 -6.099 1.00 4.41 C ATOM 0 HA PRO A 50 1.623 20.934 -4.361 1.00 3.51 H new ATOM 0 HB2 PRO A 50 0.464 21.228 -6.868 1.00 14.22 H new ATOM 0 HB3 PRO A 50 0.196 22.421 -5.613 1.00 14.22 H new ATOM 0 HG2 PRO A 50 2.138 22.499 -7.914 1.00 2.13 H new ATOM 0 HG3 PRO A 50 1.113 23.779 -7.295 1.00 2.13 H new ATOM 0 HD2 PRO A 50 3.760 23.637 -6.665 1.00 4.41 H new ATOM 0 HD3 PRO A 50 2.585 24.294 -5.543 1.00 4.41 H new ATOM 134 N LEU A 51 3.588 20.069 -6.745 1.00 15.55 N ATOM 135 CA LEU A 51 4.157 18.917 -7.435 1.00 64.42 C ATOM 136 C LEU A 51 4.390 17.763 -6.464 1.00 71.35 C ATOM 137 O LEU A 51 4.211 16.596 -6.814 1.00 72.00 O ATOM 138 CB LEU A 51 5.474 19.302 -8.112 1.00 65.14 C ATOM 139 CG LEU A 51 5.353 19.990 -9.472 1.00 51.24 C ATOM 140 CD1 LEU A 51 6.558 20.881 -9.729 1.00 24.31 C ATOM 141 CD2 LEU A 51 5.204 18.958 -10.579 1.00 32.54 C ATOM 0 H LEU A 51 4.096 20.941 -6.890 1.00 15.55 H new ATOM 0 HA LEU A 51 3.447 18.592 -8.195 1.00 64.42 H new ATOM 0 HB2 LEU A 51 6.025 19.961 -7.441 1.00 65.14 H new ATOM 0 HB3 LEU A 51 6.073 18.400 -8.236 1.00 65.14 H new ATOM 0 HG LEU A 51 4.461 20.616 -9.463 1.00 51.24 H new ATOM 0 HD11 LEU A 51 6.454 21.362 -10.702 1.00 24.31 H new ATOM 0 HD12 LEU A 51 6.619 21.643 -8.952 1.00 24.31 H new ATOM 0 HD13 LEU A 51 7.466 20.278 -9.718 1.00 24.31 H new ATOM 0 HD21 LEU A 51 5.119 19.465 -11.540 1.00 32.54 H new ATOM 0 HD22 LEU A 51 6.077 18.306 -10.589 1.00 32.54 H new ATOM 0 HD23 LEU A 51 4.308 18.362 -10.403 1.00 32.54 H new ATOM 153 N THR A 52 4.792 18.097 -5.241 1.00 41.41 N ATOM 154 CA THR A 52 5.048 17.090 -4.219 1.00 25.51 C ATOM 155 C THR A 52 3.863 16.143 -4.070 1.00 45.10 C ATOM 156 O THR A 52 4.036 14.952 -3.813 1.00 45.00 O ATOM 157 CB THR A 52 5.348 17.738 -2.854 1.00 1.42 C ATOM 158 OG1 THR A 52 6.420 18.679 -2.984 1.00 3.30 O ATOM 159 CG2 THR A 52 5.715 16.682 -1.823 1.00 62.12 C ATOM 0 H THR A 52 4.947 19.057 -4.935 1.00 41.41 H new ATOM 0 HA THR A 52 5.922 16.525 -4.545 1.00 25.51 H new ATOM 0 HB THR A 52 4.450 18.255 -2.516 1.00 1.42 H new ATOM 0 HG1 THR A 52 7.243 18.206 -3.228 1.00 3.30 H new ATOM 0 HG21 THR A 52 5.923 17.163 -0.867 1.00 62.12 H new ATOM 0 HG22 THR A 52 4.886 15.984 -1.706 1.00 62.12 H new ATOM 0 HG23 THR A 52 6.600 16.140 -2.156 1.00 62.12 H new ATOM 167 N SER A 53 2.658 16.681 -4.233 1.00 71.31 N ATOM 168 CA SER A 53 1.443 15.884 -4.114 1.00 2.43 C ATOM 169 C SER A 53 1.379 14.821 -5.207 1.00 71.13 C ATOM 170 O SER A 53 1.274 13.628 -4.922 1.00 31.43 O ATOM 171 CB SER A 53 0.207 16.783 -4.189 1.00 72.13 C ATOM 172 OG SER A 53 -0.631 16.594 -3.063 1.00 3.00 O ATOM 0 H SER A 53 2.498 17.665 -4.448 1.00 71.31 H new ATOM 0 HA SER A 53 1.462 15.384 -3.146 1.00 2.43 H new ATOM 0 HB2 SER A 53 0.516 17.827 -4.245 1.00 72.13 H new ATOM 0 HB3 SER A 53 -0.350 16.566 -5.101 1.00 72.13 H new ATOM 0 HG SER A 53 -1.412 17.181 -3.135 1.00 3.00 H new ATOM 178 N ILE A 54 1.445 15.265 -6.458 1.00 64.12 N ATOM 179 CA ILE A 54 1.397 14.353 -7.595 1.00 63.32 C ATOM 180 C ILE A 54 2.416 13.230 -7.441 1.00 30.33 C ATOM 181 O ILE A 54 2.100 12.058 -7.649 1.00 34.20 O ATOM 182 CB ILE A 54 1.659 15.092 -8.920 1.00 2.24 C ATOM 183 CG1 ILE A 54 0.630 16.206 -9.120 1.00 11.34 C ATOM 184 CG2 ILE A 54 1.624 14.116 -10.086 1.00 2.12 C ATOM 185 CD1 ILE A 54 1.245 17.541 -9.478 1.00 24.50 C ATOM 0 H ILE A 54 1.532 16.250 -6.710 1.00 64.12 H new ATOM 0 HA ILE A 54 0.393 13.929 -7.618 1.00 63.32 H new ATOM 0 HB ILE A 54 2.651 15.543 -8.878 1.00 2.24 H new ATOM 0 HG12 ILE A 54 -0.063 15.912 -9.908 1.00 11.34 H new ATOM 0 HG13 ILE A 54 0.046 16.318 -8.207 1.00 11.34 H new ATOM 0 HG21 ILE A 54 1.811 14.653 -11.016 1.00 2.12 H new ATOM 0 HG22 ILE A 54 2.391 13.355 -9.946 1.00 2.12 H new ATOM 0 HG23 ILE A 54 0.645 13.640 -10.133 1.00 2.12 H new ATOM 0 HD11 ILE A 54 0.456 18.283 -9.605 1.00 24.50 H new ATOM 0 HD12 ILE A 54 1.917 17.858 -8.680 1.00 24.50 H new ATOM 0 HD13 ILE A 54 1.806 17.446 -10.408 1.00 24.50 H new ATOM 197 N ILE A 55 3.641 13.594 -7.074 1.00 14.44 N ATOM 198 CA ILE A 55 4.706 12.617 -6.891 1.00 21.34 C ATOM 199 C ILE A 55 4.406 11.692 -5.716 1.00 72.41 C ATOM 200 O ILE A 55 4.591 10.479 -5.805 1.00 25.01 O ATOM 201 CB ILE A 55 6.065 13.302 -6.657 1.00 52.23 C ATOM 202 CG1 ILE A 55 6.359 14.298 -7.781 1.00 30.44 C ATOM 203 CG2 ILE A 55 7.172 12.263 -6.560 1.00 44.45 C ATOM 204 CD1 ILE A 55 6.507 13.649 -9.139 1.00 33.43 C ATOM 0 H ILE A 55 3.920 14.559 -6.898 1.00 14.44 H new ATOM 0 HA ILE A 55 4.758 12.031 -7.808 1.00 21.34 H new ATOM 0 HB ILE A 55 6.022 13.848 -5.715 1.00 52.23 H new ATOM 0 HG12 ILE A 55 5.555 15.033 -7.824 1.00 30.44 H new ATOM 0 HG13 ILE A 55 7.274 14.841 -7.545 1.00 30.44 H new ATOM 0 HG21 ILE A 55 8.126 12.763 -6.395 1.00 44.45 H new ATOM 0 HG22 ILE A 55 6.966 11.589 -5.729 1.00 44.45 H new ATOM 0 HG23 ILE A 55 7.217 11.692 -7.487 1.00 44.45 H new ATOM 0 HD11 ILE A 55 6.714 14.414 -9.887 1.00 33.43 H new ATOM 0 HD12 ILE A 55 7.330 12.935 -9.113 1.00 33.43 H new ATOM 0 HD13 ILE A 55 5.584 13.130 -9.397 1.00 33.43 H new ATOM 216 N SER A 56 3.942 12.274 -4.615 1.00 52.43 N ATOM 217 CA SER A 56 3.619 11.503 -3.420 1.00 54.41 C ATOM 218 C SER A 56 2.517 10.487 -3.711 1.00 61.55 C ATOM 219 O SER A 56 2.589 9.337 -3.280 1.00 50.13 O ATOM 220 CB SER A 56 3.181 12.435 -2.289 1.00 71.54 C ATOM 221 OG SER A 56 1.860 12.905 -2.496 1.00 62.44 O ATOM 0 H SER A 56 3.781 13.277 -4.526 1.00 52.43 H new ATOM 0 HA SER A 56 4.515 10.965 -3.112 1.00 54.41 H new ATOM 0 HB2 SER A 56 3.237 11.907 -1.337 1.00 71.54 H new ATOM 0 HB3 SER A 56 3.865 13.281 -2.226 1.00 71.54 H new ATOM 0 HG SER A 56 1.763 13.211 -3.422 1.00 62.44 H new ATOM 227 N ALA A 57 1.498 10.922 -4.446 1.00 71.34 N ATOM 228 CA ALA A 57 0.384 10.052 -4.797 1.00 52.45 C ATOM 229 C ALA A 57 0.846 8.894 -5.673 1.00 30.52 C ATOM 230 O ALA A 57 0.505 7.737 -5.423 1.00 14.43 O ATOM 231 CB ALA A 57 -0.706 10.848 -5.501 1.00 73.41 C ATOM 0 H ALA A 57 1.422 11.872 -4.809 1.00 71.34 H new ATOM 0 HA ALA A 57 -0.023 9.635 -3.876 1.00 52.45 H new ATOM 0 HB1 ALA A 57 -1.532 10.185 -5.758 1.00 73.41 H new ATOM 0 HB2 ALA A 57 -1.065 11.637 -4.840 1.00 73.41 H new ATOM 0 HB3 ALA A 57 -0.302 11.293 -6.410 1.00 73.41 H new ATOM 237 N VAL A 58 1.625 9.210 -6.703 1.00 41.45 N ATOM 238 CA VAL A 58 2.134 8.195 -7.617 1.00 72.33 C ATOM 239 C VAL A 58 2.853 7.085 -6.860 1.00 25.41 C ATOM 240 O VAL A 58 2.615 5.901 -7.099 1.00 70.05 O ATOM 241 CB VAL A 58 3.101 8.805 -8.650 1.00 52.32 C ATOM 242 CG1 VAL A 58 3.697 7.718 -9.530 1.00 24.23 C ATOM 243 CG2 VAL A 58 2.387 9.853 -9.492 1.00 33.52 C ATOM 0 H VAL A 58 1.917 10.162 -6.925 1.00 41.45 H new ATOM 0 HA VAL A 58 1.272 7.777 -8.138 1.00 72.33 H new ATOM 0 HB VAL A 58 3.916 9.294 -8.116 1.00 52.32 H new ATOM 0 HG11 VAL A 58 4.377 8.168 -10.253 1.00 24.23 H new ATOM 0 HG12 VAL A 58 4.244 7.007 -8.910 1.00 24.23 H new ATOM 0 HG13 VAL A 58 2.898 7.198 -10.058 1.00 24.23 H new ATOM 0 HG21 VAL A 58 3.084 10.274 -10.217 1.00 33.52 H new ATOM 0 HG22 VAL A 58 1.552 9.390 -10.018 1.00 33.52 H new ATOM 0 HG23 VAL A 58 2.013 10.646 -8.845 1.00 33.52 H new ATOM 253 N VAL A 59 3.734 7.475 -5.943 1.00 34.55 N ATOM 254 CA VAL A 59 4.487 6.512 -5.149 1.00 4.12 C ATOM 255 C VAL A 59 3.553 5.606 -4.354 1.00 62.34 C ATOM 256 O VAL A 59 3.718 4.386 -4.338 1.00 74.22 O ATOM 257 CB VAL A 59 5.450 7.218 -4.177 1.00 44.32 C ATOM 258 CG1 VAL A 59 6.165 6.201 -3.300 1.00 34.53 C ATOM 259 CG2 VAL A 59 6.450 8.071 -4.943 1.00 64.04 C ATOM 0 H VAL A 59 3.943 8.451 -5.732 1.00 34.55 H new ATOM 0 HA VAL A 59 5.066 5.908 -5.848 1.00 4.12 H new ATOM 0 HB VAL A 59 4.868 7.874 -3.530 1.00 44.32 H new ATOM 0 HG11 VAL A 59 6.841 6.719 -2.620 1.00 34.53 H new ATOM 0 HG12 VAL A 59 5.431 5.638 -2.723 1.00 34.53 H new ATOM 0 HG13 VAL A 59 6.736 5.517 -3.928 1.00 34.53 H new ATOM 0 HG21 VAL A 59 7.123 8.563 -4.240 1.00 64.04 H new ATOM 0 HG22 VAL A 59 7.028 7.438 -5.616 1.00 64.04 H new ATOM 0 HG23 VAL A 59 5.917 8.825 -5.522 1.00 64.04 H new ATOM 269 N GLY A 60 2.570 6.211 -3.693 1.00 70.44 N ATOM 270 CA GLY A 60 1.624 5.444 -2.904 1.00 23.32 C ATOM 271 C GLY A 60 0.879 4.416 -3.733 1.00 40.54 C ATOM 272 O GLY A 60 0.871 3.230 -3.401 1.00 72.44 O ATOM 0 H GLY A 60 2.412 7.219 -3.690 1.00 70.44 H new ATOM 0 HA2 GLY A 60 2.154 4.940 -2.096 1.00 23.32 H new ATOM 0 HA3 GLY A 60 0.907 6.122 -2.441 1.00 23.32 H new ATOM 276 N ILE A 61 0.249 4.871 -4.810 1.00 62.42 N ATOM 277 CA ILE A 61 -0.503 3.983 -5.687 1.00 3.24 C ATOM 278 C ILE A 61 0.404 2.926 -6.308 1.00 24.03 C ATOM 279 O ILE A 61 -0.033 1.812 -6.602 1.00 71.10 O ATOM 280 CB ILE A 61 -1.207 4.765 -6.812 1.00 60.30 C ATOM 281 CG1 ILE A 61 -2.053 5.896 -6.223 1.00 35.34 C ATOM 282 CG2 ILE A 61 -2.069 3.830 -7.647 1.00 61.23 C ATOM 283 CD1 ILE A 61 -3.221 5.408 -5.396 1.00 13.51 C ATOM 0 H ILE A 61 0.244 5.850 -5.096 1.00 62.42 H new ATOM 0 HA ILE A 61 -1.257 3.494 -5.070 1.00 3.24 H new ATOM 0 HB ILE A 61 -0.449 5.204 -7.460 1.00 60.30 H new ATOM 0 HG12 ILE A 61 -1.418 6.529 -5.603 1.00 35.34 H new ATOM 0 HG13 ILE A 61 -2.428 6.519 -7.035 1.00 35.34 H new ATOM 0 HG21 ILE A 61 -2.560 4.397 -8.438 1.00 61.23 H new ATOM 0 HG22 ILE A 61 -1.442 3.056 -8.091 1.00 61.23 H new ATOM 0 HG23 ILE A 61 -2.823 3.366 -7.012 1.00 61.23 H new ATOM 0 HD11 ILE A 61 -3.776 6.263 -5.010 1.00 13.51 H new ATOM 0 HD12 ILE A 61 -3.878 4.799 -6.018 1.00 13.51 H new ATOM 0 HD13 ILE A 61 -2.852 4.809 -4.563 1.00 13.51 H new ATOM 295 N LEU A 62 1.669 3.282 -6.504 1.00 31.23 N ATOM 296 CA LEU A 62 2.640 2.363 -7.089 1.00 4.22 C ATOM 297 C LEU A 62 2.962 1.225 -6.125 1.00 74.23 C ATOM 298 O LEU A 62 2.925 0.052 -6.499 1.00 13.42 O ATOM 299 CB LEU A 62 3.921 3.112 -7.459 1.00 63.10 C ATOM 300 CG LEU A 62 4.912 2.352 -8.341 1.00 0.32 C ATOM 301 CD1 LEU A 62 4.488 2.421 -9.800 1.00 22.41 C ATOM 302 CD2 LEU A 62 6.318 2.907 -8.165 1.00 11.22 C ATOM 0 H LEU A 62 2.046 4.199 -6.267 1.00 31.23 H new ATOM 0 HA LEU A 62 2.202 1.936 -7.992 1.00 4.22 H new ATOM 0 HB2 LEU A 62 3.644 4.034 -7.970 1.00 63.10 H new ATOM 0 HB3 LEU A 62 4.430 3.398 -6.538 1.00 63.10 H new ATOM 0 HG LEU A 62 4.915 1.306 -8.033 1.00 0.32 H new ATOM 0 HD11 LEU A 62 5.205 1.875 -10.413 1.00 22.41 H new ATOM 0 HD12 LEU A 62 3.500 1.975 -9.913 1.00 22.41 H new ATOM 0 HD13 LEU A 62 4.455 3.462 -10.121 1.00 22.41 H new ATOM 0 HD21 LEU A 62 7.010 2.354 -8.800 1.00 11.22 H new ATOM 0 HD22 LEU A 62 6.331 3.960 -8.445 1.00 11.22 H new ATOM 0 HD23 LEU A 62 6.622 2.805 -7.123 1.00 11.22 H new ATOM 314 N LEU A 63 3.277 1.579 -4.885 1.00 40.51 N ATOM 315 CA LEU A 63 3.603 0.588 -3.865 1.00 31.14 C ATOM 316 C LEU A 63 2.435 -0.367 -3.640 1.00 20.12 C ATOM 317 O LEU A 63 2.629 -1.563 -3.424 1.00 43.23 O ATOM 318 CB LEU A 63 3.972 1.279 -2.552 1.00 11.30 C ATOM 319 CG LEU A 63 5.054 0.598 -1.716 1.00 62.52 C ATOM 320 CD1 LEU A 63 4.621 -0.806 -1.322 1.00 11.03 C ATOM 321 CD2 LEU A 63 6.371 0.557 -2.478 1.00 63.24 C ATOM 0 H LEU A 63 3.314 2.545 -4.561 1.00 40.51 H new ATOM 0 HA LEU A 63 4.458 0.010 -4.216 1.00 31.14 H new ATOM 0 HB2 LEU A 63 4.301 2.293 -2.779 1.00 11.30 H new ATOM 0 HB3 LEU A 63 3.071 1.364 -1.944 1.00 11.30 H new ATOM 0 HG LEU A 63 5.201 1.180 -0.806 1.00 62.52 H new ATOM 0 HD11 LEU A 63 5.405 -1.275 -0.727 1.00 11.03 H new ATOM 0 HD12 LEU A 63 3.703 -0.753 -0.736 1.00 11.03 H new ATOM 0 HD13 LEU A 63 4.444 -1.398 -2.220 1.00 11.03 H new ATOM 0 HD21 LEU A 63 7.130 0.068 -1.867 1.00 63.24 H new ATOM 0 HD22 LEU A 63 6.238 -0.000 -3.405 1.00 63.24 H new ATOM 0 HD23 LEU A 63 6.690 1.574 -2.708 1.00 63.24 H new ATOM 333 N VAL A 64 1.220 0.170 -3.695 1.00 14.02 N ATOM 334 CA VAL A 64 0.019 -0.635 -3.501 1.00 53.33 C ATOM 335 C VAL A 64 -0.107 -1.703 -4.580 1.00 11.24 C ATOM 336 O VAL A 64 -0.156 -2.897 -4.284 1.00 61.31 O ATOM 337 CB VAL A 64 -1.249 0.240 -3.508 1.00 2.45 C ATOM 338 CG1 VAL A 64 -2.491 -0.621 -3.334 1.00 12.44 C ATOM 339 CG2 VAL A 64 -1.170 1.302 -2.422 1.00 33.33 C ATOM 0 H VAL A 64 1.041 1.158 -3.872 1.00 14.02 H new ATOM 0 HA VAL A 64 0.114 -1.117 -2.528 1.00 53.33 H new ATOM 0 HB VAL A 64 -1.317 0.744 -4.472 1.00 2.45 H new ATOM 0 HG11 VAL A 64 -3.377 0.013 -3.341 1.00 12.44 H new ATOM 0 HG12 VAL A 64 -2.553 -1.340 -4.151 1.00 12.44 H new ATOM 0 HG13 VAL A 64 -2.434 -1.154 -2.385 1.00 12.44 H new ATOM 0 HG21 VAL A 64 -2.074 1.911 -2.442 1.00 33.33 H new ATOM 0 HG22 VAL A 64 -1.078 0.821 -1.448 1.00 33.33 H new ATOM 0 HG23 VAL A 64 -0.301 1.937 -2.596 1.00 33.33 H new ATOM 349 N VAL A 65 -0.159 -1.267 -5.834 1.00 31.02 N ATOM 350 CA VAL A 65 -0.278 -2.186 -6.960 1.00 44.40 C ATOM 351 C VAL A 65 0.790 -3.272 -6.898 1.00 72.50 C ATOM 352 O VAL A 65 0.496 -4.457 -7.051 1.00 2.33 O ATOM 353 CB VAL A 65 -0.163 -1.445 -8.305 1.00 54.24 C ATOM 354 CG1 VAL A 65 -0.259 -2.424 -9.465 1.00 12.32 C ATOM 355 CG2 VAL A 65 -1.235 -0.370 -8.414 1.00 61.52 C ATOM 0 H VAL A 65 -0.121 -0.282 -6.096 1.00 31.02 H new ATOM 0 HA VAL A 65 -1.264 -2.645 -6.890 1.00 44.40 H new ATOM 0 HB VAL A 65 0.812 -0.960 -8.350 1.00 54.24 H new ATOM 0 HG11 VAL A 65 -0.176 -1.882 -10.407 1.00 12.32 H new ATOM 0 HG12 VAL A 65 0.548 -3.153 -9.394 1.00 12.32 H new ATOM 0 HG13 VAL A 65 -1.218 -2.940 -9.427 1.00 12.32 H new ATOM 0 HG21 VAL A 65 -1.139 0.144 -9.371 1.00 61.52 H new ATOM 0 HG22 VAL A 65 -2.221 -0.831 -8.347 1.00 61.52 H new ATOM 0 HG23 VAL A 65 -1.114 0.348 -7.603 1.00 61.52 H new ATOM 365 N VAL A 66 2.034 -2.859 -6.672 1.00 2.20 N ATOM 366 CA VAL A 66 3.147 -3.797 -6.587 1.00 14.01 C ATOM 367 C VAL A 66 2.894 -4.857 -5.522 1.00 42.44 C ATOM 368 O VAL A 66 3.225 -6.028 -5.704 1.00 20.12 O ATOM 369 CB VAL A 66 4.469 -3.071 -6.272 1.00 2.31 C ATOM 370 CG1 VAL A 66 5.611 -4.069 -6.156 1.00 21.44 C ATOM 371 CG2 VAL A 66 4.769 -2.025 -7.334 1.00 52.41 C ATOM 0 H VAL A 66 2.296 -1.881 -6.545 1.00 2.20 H new ATOM 0 HA VAL A 66 3.229 -4.280 -7.561 1.00 14.01 H new ATOM 0 HB VAL A 66 4.365 -2.562 -5.314 1.00 2.31 H new ATOM 0 HG11 VAL A 66 6.537 -3.538 -5.933 1.00 21.44 H new ATOM 0 HG12 VAL A 66 5.396 -4.776 -5.355 1.00 21.44 H new ATOM 0 HG13 VAL A 66 5.720 -4.609 -7.097 1.00 21.44 H new ATOM 0 HG21 VAL A 66 5.706 -1.522 -7.095 1.00 52.41 H new ATOM 0 HG22 VAL A 66 4.854 -2.509 -8.307 1.00 52.41 H new ATOM 0 HG23 VAL A 66 3.962 -1.293 -7.362 1.00 52.41 H new ATOM 381 N LEU A 67 2.304 -4.437 -4.407 1.00 14.04 N ATOM 382 CA LEU A 67 2.005 -5.351 -3.310 1.00 41.31 C ATOM 383 C LEU A 67 0.996 -6.409 -3.741 1.00 15.54 C ATOM 384 O LEU A 67 1.205 -7.603 -3.535 1.00 35.22 O ATOM 385 CB LEU A 67 1.465 -4.575 -2.107 1.00 31.21 C ATOM 386 CG LEU A 67 1.299 -5.373 -0.814 1.00 42.34 C ATOM 387 CD1 LEU A 67 1.929 -4.631 0.355 1.00 65.30 C ATOM 388 CD2 LEU A 67 -0.173 -5.647 -0.542 1.00 62.13 C ATOM 0 H LEU A 67 2.024 -3.471 -4.239 1.00 14.04 H new ATOM 0 HA LEU A 67 2.930 -5.853 -3.026 1.00 41.31 H new ATOM 0 HB2 LEU A 67 2.134 -3.737 -1.910 1.00 31.21 H new ATOM 0 HB3 LEU A 67 0.497 -4.153 -2.377 1.00 31.21 H new ATOM 0 HG LEU A 67 1.811 -6.328 -0.931 1.00 42.34 H new ATOM 0 HD11 LEU A 67 1.801 -5.214 1.267 1.00 65.30 H new ATOM 0 HD12 LEU A 67 2.992 -4.485 0.163 1.00 65.30 H new ATOM 0 HD13 LEU A 67 1.446 -3.661 0.473 1.00 65.30 H new ATOM 0 HD21 LEU A 67 -0.272 -6.216 0.382 1.00 62.13 H new ATOM 0 HD22 LEU A 67 -0.707 -4.702 -0.445 1.00 62.13 H new ATOM 0 HD23 LEU A 67 -0.595 -6.220 -1.368 1.00 62.13 H new ATOM 400 N GLY A 68 -0.103 -5.961 -4.344 1.00 33.35 N ATOM 401 CA GLY A 68 -1.128 -6.882 -4.798 1.00 13.05 C ATOM 402 C GLY A 68 -0.584 -7.935 -5.744 1.00 12.50 C ATOM 403 O GLY A 68 -0.908 -9.116 -5.622 1.00 32.42 O ATOM 0 H GLY A 68 -0.300 -4.977 -4.525 1.00 33.35 H new ATOM 0 HA2 GLY A 68 -1.580 -7.372 -3.935 1.00 13.05 H new ATOM 0 HA3 GLY A 68 -1.919 -6.323 -5.298 1.00 13.05 H new ATOM 407 N VAL A 69 0.244 -7.505 -6.691 1.00 4.04 N ATOM 408 CA VAL A 69 0.833 -8.420 -7.662 1.00 72.14 C ATOM 409 C VAL A 69 1.655 -9.502 -6.971 1.00 21.12 C ATOM 410 O VAL A 69 1.507 -10.689 -7.260 1.00 71.00 O ATOM 411 CB VAL A 69 1.732 -7.670 -8.664 1.00 22.33 C ATOM 412 CG1 VAL A 69 2.389 -8.649 -9.627 1.00 51.20 C ATOM 413 CG2 VAL A 69 0.928 -6.624 -9.421 1.00 31.23 C ATOM 0 H VAL A 69 0.522 -6.530 -6.806 1.00 4.04 H new ATOM 0 HA VAL A 69 0.007 -8.885 -8.201 1.00 72.14 H new ATOM 0 HB VAL A 69 2.519 -7.159 -8.109 1.00 22.33 H new ATOM 0 HG11 VAL A 69 3.020 -8.102 -10.327 1.00 51.20 H new ATOM 0 HG12 VAL A 69 2.999 -9.357 -9.066 1.00 51.20 H new ATOM 0 HG13 VAL A 69 1.619 -9.189 -10.178 1.00 51.20 H new ATOM 0 HG21 VAL A 69 1.578 -6.104 -10.124 1.00 31.23 H new ATOM 0 HG22 VAL A 69 0.120 -7.111 -9.966 1.00 31.23 H new ATOM 0 HG23 VAL A 69 0.509 -5.906 -8.716 1.00 31.23 H new ATOM 423 N VAL A 70 2.521 -9.085 -6.053 1.00 53.44 N ATOM 424 CA VAL A 70 3.366 -10.017 -5.318 1.00 63.34 C ATOM 425 C VAL A 70 2.526 -11.051 -4.575 1.00 31.40 C ATOM 426 O VAL A 70 2.724 -12.256 -4.734 1.00 44.51 O ATOM 427 CB VAL A 70 4.266 -9.283 -4.308 1.00 62.44 C ATOM 428 CG1 VAL A 70 5.203 -10.262 -3.616 1.00 2.32 C ATOM 429 CG2 VAL A 70 5.053 -8.179 -4.998 1.00 34.14 C ATOM 0 H VAL A 70 2.655 -8.106 -5.801 1.00 53.44 H new ATOM 0 HA VAL A 70 3.994 -10.521 -6.053 1.00 63.34 H new ATOM 0 HB VAL A 70 3.631 -8.826 -3.549 1.00 62.44 H new ATOM 0 HG11 VAL A 70 5.831 -9.724 -2.906 1.00 2.32 H new ATOM 0 HG12 VAL A 70 4.617 -11.013 -3.086 1.00 2.32 H new ATOM 0 HG13 VAL A 70 5.832 -10.751 -4.360 1.00 2.32 H new ATOM 0 HG21 VAL A 70 5.684 -7.671 -4.268 1.00 34.14 H new ATOM 0 HG22 VAL A 70 5.678 -8.611 -5.779 1.00 34.14 H new ATOM 0 HG23 VAL A 70 4.362 -7.462 -5.442 1.00 34.14 H new ATOM 439 N PHE A 71 1.588 -10.571 -3.766 1.00 25.14 N ATOM 440 CA PHE A 71 0.717 -11.455 -2.998 1.00 52.35 C ATOM 441 C PHE A 71 0.063 -12.495 -3.902 1.00 51.04 C ATOM 442 O PHE A 71 0.144 -13.695 -3.645 1.00 71.44 O ATOM 443 CB PHE A 71 -0.359 -10.641 -2.276 1.00 45.22 C ATOM 444 CG PHE A 71 -0.981 -11.367 -1.116 1.00 54.21 C ATOM 445 CD1 PHE A 71 -0.201 -11.809 -0.060 1.00 70.11 C ATOM 446 CD2 PHE A 71 -2.346 -11.605 -1.083 1.00 63.34 C ATOM 447 CE1 PHE A 71 -0.770 -12.476 1.008 1.00 30.22 C ATOM 448 CE2 PHE A 71 -2.920 -12.272 -0.017 1.00 11.41 C ATOM 449 CZ PHE A 71 -2.132 -12.707 1.030 1.00 14.02 C ATOM 0 H PHE A 71 1.411 -9.576 -3.625 1.00 25.14 H new ATOM 0 HA PHE A 71 1.327 -11.975 -2.260 1.00 52.35 H new ATOM 0 HB2 PHE A 71 0.080 -9.709 -1.919 1.00 45.22 H new ATOM 0 HB3 PHE A 71 -1.140 -10.373 -2.988 1.00 45.22 H new ATOM 0 HD1 PHE A 71 0.864 -11.630 -0.072 1.00 70.11 H new ATOM 0 HD2 PHE A 71 -2.968 -11.266 -1.899 1.00 63.34 H new ATOM 0 HE1 PHE A 71 -0.151 -12.816 1.825 1.00 30.22 H new ATOM 0 HE2 PHE A 71 -3.985 -12.453 -0.003 1.00 11.41 H new ATOM 0 HZ PHE A 71 -2.579 -13.227 1.864 1.00 14.02 H new ATOM 459 N GLY A 72 -0.585 -12.025 -4.963 1.00 55.23 N ATOM 460 CA GLY A 72 -1.244 -12.926 -5.890 1.00 12.22 C ATOM 461 C GLY A 72 -0.326 -14.027 -6.380 1.00 65.40 C ATOM 462 O GLY A 72 -0.619 -15.211 -6.211 1.00 12.33 O ATOM 0 H GLY A 72 -0.665 -11.036 -5.197 1.00 55.23 H new ATOM 0 HA2 GLY A 72 -2.112 -13.371 -5.404 1.00 12.22 H new ATOM 0 HA3 GLY A 72 -1.613 -12.358 -6.744 1.00 12.22 H new ATOM 466 N ILE A 73 0.789 -13.638 -6.989 1.00 60.00 N ATOM 467 CA ILE A 73 1.753 -14.602 -7.505 1.00 73.22 C ATOM 468 C ILE A 73 2.261 -15.519 -6.398 1.00 25.24 C ATOM 469 O ILE A 73 2.429 -16.723 -6.601 1.00 42.03 O ATOM 470 CB ILE A 73 2.955 -13.899 -8.164 1.00 35.24 C ATOM 471 CG1 ILE A 73 2.481 -12.995 -9.306 1.00 24.23 C ATOM 472 CG2 ILE A 73 3.955 -14.925 -8.675 1.00 21.42 C ATOM 473 CD1 ILE A 73 1.842 -13.752 -10.449 1.00 75.11 C ATOM 0 H ILE A 73 1.047 -12.662 -7.137 1.00 60.00 H new ATOM 0 HA ILE A 73 1.232 -15.196 -8.256 1.00 73.22 H new ATOM 0 HB ILE A 73 3.450 -13.280 -7.416 1.00 35.24 H new ATOM 0 HG12 ILE A 73 1.765 -12.273 -8.914 1.00 24.23 H new ATOM 0 HG13 ILE A 73 3.330 -12.428 -9.686 1.00 24.23 H new ATOM 0 HG21 ILE A 73 4.798 -14.412 -9.138 1.00 21.42 H new ATOM 0 HG22 ILE A 73 4.312 -15.531 -7.842 1.00 21.42 H new ATOM 0 HG23 ILE A 73 3.473 -15.568 -9.412 1.00 21.42 H new ATOM 0 HD11 ILE A 73 1.530 -13.049 -11.222 1.00 75.11 H new ATOM 0 HD12 ILE A 73 2.562 -14.455 -10.867 1.00 75.11 H new ATOM 0 HD13 ILE A 73 0.972 -14.298 -10.083 1.00 75.11 H new ATOM 834 N PRO B 150 14.333 17.917 -2.297 1.00 21.43 N ATOM 835 CA PRO B 150 14.387 16.553 -1.760 1.00 74.33 C ATOM 836 C PRO B 150 13.225 16.255 -0.819 1.00 21.34 C ATOM 837 O PRO B 150 12.874 15.095 -0.600 1.00 4.54 O ATOM 838 CB PRO B 150 15.715 16.525 -0.997 1.00 14.53 C ATOM 839 CG PRO B 150 15.972 17.947 -0.633 1.00 20.31 C ATOM 840 CD PRO B 150 15.403 18.771 -1.754 1.00 51.33 C ATOM 0 HA PRO B 150 14.316 15.801 -2.546 1.00 74.33 H new ATOM 0 HB2 PRO B 150 15.649 15.895 -0.110 1.00 14.53 H new ATOM 0 HB3 PRO B 150 16.518 16.123 -1.615 1.00 14.53 H new ATOM 0 HG2 PRO B 150 15.498 18.199 0.316 1.00 20.31 H new ATOM 0 HG3 PRO B 150 17.040 18.133 -0.515 1.00 20.31 H new ATOM 0 HD2 PRO B 150 15.013 19.723 -1.395 1.00 51.33 H new ATOM 0 HD3 PRO B 150 16.157 18.999 -2.508 1.00 51.33 H new ATOM 848 N LEU B 151 12.633 17.307 -0.265 1.00 1.11 N ATOM 849 CA LEU B 151 11.510 17.157 0.653 1.00 15.13 C ATOM 850 C LEU B 151 10.410 16.300 0.033 1.00 72.31 C ATOM 851 O LEU B 151 9.753 15.519 0.721 1.00 30.32 O ATOM 852 CB LEU B 151 10.949 18.528 1.033 1.00 44.24 C ATOM 853 CG LEU B 151 11.692 19.272 2.144 1.00 4.12 C ATOM 854 CD1 LEU B 151 11.512 20.775 1.994 1.00 31.42 C ATOM 855 CD2 LEU B 151 11.208 18.810 3.511 1.00 4.45 C ATOM 0 H LEU B 151 12.912 18.273 -0.436 1.00 1.11 H new ATOM 0 HA LEU B 151 11.872 16.657 1.551 1.00 15.13 H new ATOM 0 HB2 LEU B 151 10.944 19.156 0.142 1.00 44.24 H new ATOM 0 HB3 LEU B 151 9.911 18.401 1.339 1.00 44.24 H new ATOM 0 HG LEU B 151 12.754 19.044 2.060 1.00 4.12 H new ATOM 0 HD11 LEU B 151 12.048 21.287 2.793 1.00 31.42 H new ATOM 0 HD12 LEU B 151 11.907 21.094 1.030 1.00 31.42 H new ATOM 0 HD13 LEU B 151 10.452 21.022 2.051 1.00 31.42 H new ATOM 0 HD21 LEU B 151 11.747 19.350 4.289 1.00 4.45 H new ATOM 0 HD22 LEU B 151 10.140 19.008 3.605 1.00 4.45 H new ATOM 0 HD23 LEU B 151 11.389 17.741 3.619 1.00 4.45 H new ATOM 867 N THR B 152 10.215 16.451 -1.273 1.00 34.22 N ATOM 868 CA THR B 152 9.197 15.691 -1.987 1.00 34.03 C ATOM 869 C THR B 152 9.330 14.198 -1.711 1.00 74.41 C ATOM 870 O THR B 152 8.334 13.480 -1.635 1.00 21.02 O ATOM 871 CB THR B 152 9.279 15.930 -3.507 1.00 63.12 C ATOM 872 OG1 THR B 152 9.218 17.333 -3.787 1.00 41.24 O ATOM 873 CG2 THR B 152 8.148 15.215 -4.230 1.00 61.50 C ATOM 0 H THR B 152 10.749 17.093 -1.858 1.00 34.22 H new ATOM 0 HA THR B 152 8.230 16.040 -1.624 1.00 34.03 H new ATOM 0 HB THR B 152 10.228 15.529 -3.864 1.00 63.12 H new ATOM 0 HG1 THR B 152 9.272 17.476 -4.755 1.00 41.24 H new ATOM 0 HG21 THR B 152 8.227 15.399 -5.301 1.00 61.50 H new ATOM 0 HG22 THR B 152 8.214 14.144 -4.040 1.00 61.50 H new ATOM 0 HG23 THR B 152 7.191 15.589 -3.868 1.00 61.50 H new ATOM 881 N SER B 153 10.568 13.738 -1.562 1.00 24.24 N ATOM 882 CA SER B 153 10.832 12.328 -1.298 1.00 62.50 C ATOM 883 C SER B 153 10.258 11.912 0.054 1.00 12.23 C ATOM 884 O SER B 153 9.449 10.987 0.138 1.00 72.41 O ATOM 885 CB SER B 153 12.337 12.054 -1.330 1.00 34.12 C ATOM 886 OG SER B 153 12.646 11.015 -2.244 1.00 64.23 O ATOM 0 H SER B 153 11.403 14.320 -1.619 1.00 24.24 H new ATOM 0 HA SER B 153 10.346 11.741 -2.077 1.00 62.50 H new ATOM 0 HB2 SER B 153 12.869 12.962 -1.613 1.00 34.12 H new ATOM 0 HB3 SER B 153 12.681 11.780 -0.333 1.00 34.12 H new ATOM 0 HG SER B 153 13.614 10.860 -2.248 1.00 64.23 H new ATOM 892 N ILE B 154 10.682 12.602 1.106 1.00 43.44 N ATOM 893 CA ILE B 154 10.210 12.306 2.453 1.00 2.52 C ATOM 894 C ILE B 154 8.686 12.261 2.504 1.00 40.22 C ATOM 895 O ILE B 154 8.101 11.341 3.076 1.00 41.14 O ATOM 896 CB ILE B 154 10.715 13.347 3.469 1.00 43.23 C ATOM 897 CG1 ILE B 154 12.245 13.391 3.468 1.00 44.32 C ATOM 898 CG2 ILE B 154 10.190 13.028 4.861 1.00 5.42 C ATOM 899 CD1 ILE B 154 12.809 14.790 3.349 1.00 63.12 C ATOM 0 H ILE B 154 11.351 13.370 1.052 1.00 43.44 H new ATOM 0 HA ILE B 154 10.610 11.327 2.719 1.00 2.52 H new ATOM 0 HB ILE B 154 10.341 14.328 3.178 1.00 43.23 H new ATOM 0 HG12 ILE B 154 12.614 12.936 4.387 1.00 44.32 H new ATOM 0 HG13 ILE B 154 12.617 12.786 2.641 1.00 44.32 H new ATOM 0 HG21 ILE B 154 10.556 13.773 5.567 1.00 5.42 H new ATOM 0 HG22 ILE B 154 9.100 13.042 4.851 1.00 5.42 H new ATOM 0 HG23 ILE B 154 10.537 12.040 5.163 1.00 5.42 H new ATOM 0 HD11 ILE B 154 13.898 14.745 3.355 1.00 63.12 H new ATOM 0 HD12 ILE B 154 12.469 15.241 2.417 1.00 63.12 H new ATOM 0 HD13 ILE B 154 12.466 15.393 4.190 1.00 63.12 H new ATOM 911 N ILE B 155 8.050 13.260 1.901 1.00 24.02 N ATOM 912 CA ILE B 155 6.594 13.333 1.875 1.00 5.31 C ATOM 913 C ILE B 155 6.001 12.188 1.061 1.00 24.42 C ATOM 914 O ILE B 155 5.023 11.563 1.470 1.00 42.32 O ATOM 915 CB ILE B 155 6.108 14.671 1.289 1.00 54.10 C ATOM 916 CG1 ILE B 155 6.749 15.843 2.034 1.00 61.14 C ATOM 917 CG2 ILE B 155 4.591 14.759 1.357 1.00 15.20 C ATOM 918 CD1 ILE B 155 6.355 15.920 3.493 1.00 21.24 C ATOM 0 H ILE B 155 8.520 14.030 1.424 1.00 24.02 H new ATOM 0 HA ILE B 155 6.255 13.254 2.908 1.00 5.31 H new ATOM 0 HB ILE B 155 6.409 14.723 0.243 1.00 54.10 H new ATOM 0 HG12 ILE B 155 7.833 15.759 1.963 1.00 61.14 H new ATOM 0 HG13 ILE B 155 6.469 16.774 1.541 1.00 61.14 H new ATOM 0 HG21 ILE B 155 4.263 15.711 0.939 1.00 15.20 H new ATOM 0 HG22 ILE B 155 4.153 13.941 0.785 1.00 15.20 H new ATOM 0 HG23 ILE B 155 4.269 14.689 2.396 1.00 15.20 H new ATOM 0 HD11 ILE B 155 6.847 16.775 3.958 1.00 21.24 H new ATOM 0 HD12 ILE B 155 5.274 16.036 3.572 1.00 21.24 H new ATOM 0 HD13 ILE B 155 6.660 15.005 4.001 1.00 21.24 H new ATOM 930 N SER B 156 6.601 11.918 -0.094 1.00 30.23 N ATOM 931 CA SER B 156 6.131 10.849 -0.967 1.00 14.45 C ATOM 932 C SER B 156 6.210 9.497 -0.264 1.00 74.43 C ATOM 933 O SER B 156 5.292 8.683 -0.353 1.00 71.24 O ATOM 934 CB SER B 156 6.955 10.816 -2.256 1.00 14.15 C ATOM 935 OG SER B 156 8.230 10.240 -2.032 1.00 21.02 O ATOM 0 H SER B 156 7.413 12.425 -0.447 1.00 30.23 H new ATOM 0 HA SER B 156 5.088 11.048 -1.215 1.00 14.45 H new ATOM 0 HB2 SER B 156 6.423 10.245 -3.017 1.00 14.15 H new ATOM 0 HB3 SER B 156 7.073 11.829 -2.642 1.00 14.15 H new ATOM 0 HG SER B 156 8.623 10.621 -1.219 1.00 21.02 H new ATOM 941 N ALA B 157 7.317 9.266 0.435 1.00 34.12 N ATOM 942 CA ALA B 157 7.518 8.015 1.155 1.00 30.35 C ATOM 943 C ALA B 157 6.484 7.848 2.263 1.00 71.32 C ATOM 944 O ALA B 157 5.873 6.788 2.401 1.00 14.41 O ATOM 945 CB ALA B 157 8.925 7.957 1.730 1.00 72.42 C ATOM 0 H ALA B 157 8.088 9.929 0.518 1.00 34.12 H new ATOM 0 HA ALA B 157 7.392 7.194 0.449 1.00 30.35 H new ATOM 0 HB1 ALA B 157 9.061 7.017 2.265 1.00 72.42 H new ATOM 0 HB2 ALA B 157 9.652 8.022 0.920 1.00 72.42 H new ATOM 0 HB3 ALA B 157 9.072 8.790 2.417 1.00 72.42 H new ATOM 951 N VAL B 158 6.294 8.900 3.053 1.00 13.22 N ATOM 952 CA VAL B 158 5.334 8.870 4.149 1.00 25.11 C ATOM 953 C VAL B 158 3.953 8.446 3.659 1.00 23.20 C ATOM 954 O VAL B 158 3.310 7.581 4.254 1.00 42.12 O ATOM 955 CB VAL B 158 5.223 10.243 4.836 1.00 41.41 C ATOM 956 CG1 VAL B 158 4.146 10.218 5.910 1.00 64.32 C ATOM 957 CG2 VAL B 158 6.565 10.655 5.425 1.00 13.34 C ATOM 0 H VAL B 158 6.793 9.784 2.954 1.00 13.22 H new ATOM 0 HA VAL B 158 5.701 8.140 4.870 1.00 25.11 H new ATOM 0 HB VAL B 158 4.938 10.982 4.087 1.00 41.41 H new ATOM 0 HG11 VAL B 158 4.082 11.197 6.384 1.00 64.32 H new ATOM 0 HG12 VAL B 158 3.186 9.971 5.457 1.00 64.32 H new ATOM 0 HG13 VAL B 158 4.397 9.467 6.660 1.00 64.32 H new ATOM 0 HG21 VAL B 158 6.468 11.628 5.907 1.00 13.34 H new ATOM 0 HG22 VAL B 158 6.882 9.916 6.161 1.00 13.34 H new ATOM 0 HG23 VAL B 158 7.308 10.717 4.630 1.00 13.34 H new ATOM 967 N VAL B 159 3.504 9.060 2.570 1.00 53.54 N ATOM 968 CA VAL B 159 2.200 8.747 1.998 1.00 25.14 C ATOM 969 C VAL B 159 2.107 7.273 1.617 1.00 43.04 C ATOM 970 O VAL B 159 1.128 6.599 1.934 1.00 43.43 O ATOM 971 CB VAL B 159 1.911 9.605 0.753 1.00 35.12 C ATOM 972 CG1 VAL B 159 0.585 9.207 0.124 1.00 51.34 C ATOM 973 CG2 VAL B 159 1.918 11.083 1.113 1.00 41.20 C ATOM 0 H VAL B 159 4.024 9.778 2.065 1.00 53.54 H new ATOM 0 HA VAL B 159 1.458 8.970 2.764 1.00 25.14 H new ATOM 0 HB VAL B 159 2.699 9.428 0.021 1.00 35.12 H new ATOM 0 HG11 VAL B 159 0.399 9.825 -0.754 1.00 51.34 H new ATOM 0 HG12 VAL B 159 0.623 8.158 -0.171 1.00 51.34 H new ATOM 0 HG13 VAL B 159 -0.218 9.352 0.846 1.00 51.34 H new ATOM 0 HG21 VAL B 159 1.712 11.676 0.222 1.00 41.20 H new ATOM 0 HG22 VAL B 159 1.152 11.278 1.864 1.00 41.20 H new ATOM 0 HG23 VAL B 159 2.895 11.356 1.512 1.00 41.20 H new ATOM 983 N GLY B 160 3.136 6.777 0.936 1.00 42.25 N ATOM 984 CA GLY B 160 3.152 5.386 0.524 1.00 10.31 C ATOM 985 C GLY B 160 3.040 4.431 1.697 1.00 55.35 C ATOM 986 O GLY B 160 2.162 3.569 1.723 1.00 72.21 O ATOM 0 H GLY B 160 3.959 7.314 0.662 1.00 42.25 H new ATOM 0 HA2 GLY B 160 2.328 5.206 -0.167 1.00 10.31 H new ATOM 0 HA3 GLY B 160 4.075 5.182 -0.019 1.00 10.31 H new ATOM 990 N ILE B 161 3.932 4.586 2.669 1.00 41.52 N ATOM 991 CA ILE B 161 3.929 3.731 3.850 1.00 72.34 C ATOM 992 C ILE B 161 2.629 3.877 4.633 1.00 14.13 C ATOM 993 O ILE B 161 2.166 2.932 5.272 1.00 21.54 O ATOM 994 CB ILE B 161 5.114 4.053 4.781 1.00 2.00 C ATOM 995 CG1 ILE B 161 6.430 4.011 4.001 1.00 63.10 C ATOM 996 CG2 ILE B 161 5.151 3.077 5.947 1.00 25.22 C ATOM 997 CD1 ILE B 161 6.787 2.632 3.494 1.00 35.11 C ATOM 0 H ILE B 161 4.665 5.295 2.663 1.00 41.52 H new ATOM 0 HA ILE B 161 4.023 2.705 3.496 1.00 72.34 H new ATOM 0 HB ILE B 161 4.982 5.059 5.179 1.00 2.00 H new ATOM 0 HG12 ILE B 161 6.363 4.695 3.155 1.00 63.10 H new ATOM 0 HG13 ILE B 161 7.234 4.374 4.641 1.00 63.10 H new ATOM 0 HG21 ILE B 161 5.993 3.317 6.596 1.00 25.22 H new ATOM 0 HG22 ILE B 161 4.223 3.152 6.514 1.00 25.22 H new ATOM 0 HG23 ILE B 161 5.263 2.061 5.568 1.00 25.22 H new ATOM 0 HD11 ILE B 161 7.731 2.677 2.951 1.00 35.11 H new ATOM 0 HD12 ILE B 161 6.886 1.949 4.337 1.00 35.11 H new ATOM 0 HD13 ILE B 161 6.002 2.275 2.828 1.00 35.11 H new ATOM 1009 N LEU B 162 2.041 5.068 4.576 1.00 63.45 N ATOM 1010 CA LEU B 162 0.792 5.338 5.278 1.00 13.42 C ATOM 1011 C LEU B 162 -0.370 4.593 4.628 1.00 52.15 C ATOM 1012 O LEU B 162 -1.145 3.917 5.306 1.00 70.10 O ATOM 1013 CB LEU B 162 0.505 6.841 5.289 1.00 64.40 C ATOM 1014 CG LEU B 162 -0.605 7.305 6.233 1.00 55.14 C ATOM 1015 CD1 LEU B 162 -0.082 7.423 7.656 1.00 14.41 C ATOM 1016 CD2 LEU B 162 -1.183 8.632 5.763 1.00 72.22 C ATOM 0 H LEU B 162 2.410 5.861 4.051 1.00 63.45 H new ATOM 0 HA LEU B 162 0.897 4.986 6.304 1.00 13.42 H new ATOM 0 HB2 LEU B 162 1.423 7.364 5.555 1.00 64.40 H new ATOM 0 HB3 LEU B 162 0.245 7.149 4.276 1.00 64.40 H new ATOM 0 HG LEU B 162 -1.401 6.560 6.222 1.00 55.14 H new ATOM 0 HD11 LEU B 162 -0.886 7.754 8.313 1.00 14.41 H new ATOM 0 HD12 LEU B 162 0.284 6.452 7.991 1.00 14.41 H new ATOM 0 HD13 LEU B 162 0.732 8.147 7.686 1.00 14.41 H new ATOM 0 HD21 LEU B 162 -1.972 8.948 6.446 1.00 72.22 H new ATOM 0 HD22 LEU B 162 -0.396 9.386 5.745 1.00 72.22 H new ATOM 0 HD23 LEU B 162 -1.596 8.514 4.761 1.00 72.22 H new ATOM 1028 N LEU B 163 -0.484 4.719 3.310 1.00 51.03 N ATOM 1029 CA LEU B 163 -1.549 4.056 2.567 1.00 11.14 C ATOM 1030 C LEU B 163 -1.467 2.542 2.732 1.00 12.01 C ATOM 1031 O LEU B 163 -2.489 1.861 2.823 1.00 65.32 O ATOM 1032 CB LEU B 163 -1.470 4.424 1.084 1.00 62.32 C ATOM 1033 CG LEU B 163 -2.805 4.554 0.353 1.00 14.41 C ATOM 1034 CD1 LEU B 163 -3.571 3.241 0.399 1.00 75.52 C ATOM 1035 CD2 LEU B 163 -3.636 5.678 0.955 1.00 50.23 C ATOM 0 H LEU B 163 0.149 5.275 2.734 1.00 51.03 H new ATOM 0 HA LEU B 163 -2.504 4.396 2.968 1.00 11.14 H new ATOM 0 HB2 LEU B 163 -0.935 5.369 0.993 1.00 62.32 H new ATOM 0 HB3 LEU B 163 -0.872 3.669 0.574 1.00 62.32 H new ATOM 0 HG LEU B 163 -2.602 4.796 -0.690 1.00 14.41 H new ATOM 0 HD11 LEU B 163 -4.519 3.354 -0.127 1.00 75.52 H new ATOM 0 HD12 LEU B 163 -2.982 2.459 -0.080 1.00 75.52 H new ATOM 0 HD13 LEU B 163 -3.762 2.968 1.437 1.00 75.52 H new ATOM 0 HD21 LEU B 163 -4.583 5.756 0.422 1.00 50.23 H new ATOM 0 HD22 LEU B 163 -3.828 5.465 2.007 1.00 50.23 H new ATOM 0 HD23 LEU B 163 -3.093 6.619 0.868 1.00 50.23 H new ATOM 1047 N VAL B 164 -0.244 2.022 2.772 1.00 11.12 N ATOM 1048 CA VAL B 164 -0.029 0.588 2.929 1.00 65.25 C ATOM 1049 C VAL B 164 -0.570 0.095 4.267 1.00 34.42 C ATOM 1050 O VAL B 164 -1.437 -0.777 4.315 1.00 34.43 O ATOM 1051 CB VAL B 164 1.467 0.231 2.830 1.00 52.20 C ATOM 1052 CG1 VAL B 164 1.674 -1.262 3.030 1.00 1.31 C ATOM 1053 CG2 VAL B 164 2.033 0.682 1.491 1.00 63.05 C ATOM 0 H VAL B 164 0.612 2.572 2.698 1.00 11.12 H new ATOM 0 HA VAL B 164 -0.567 0.096 2.119 1.00 65.25 H new ATOM 0 HB VAL B 164 2.002 0.756 3.621 1.00 52.20 H new ATOM 0 HG11 VAL B 164 2.736 -1.495 2.957 1.00 1.31 H new ATOM 0 HG12 VAL B 164 1.306 -1.552 4.014 1.00 1.31 H new ATOM 0 HG13 VAL B 164 1.128 -1.811 2.263 1.00 1.31 H new ATOM 0 HG21 VAL B 164 3.090 0.423 1.437 1.00 63.05 H new ATOM 0 HG22 VAL B 164 1.496 0.185 0.683 1.00 63.05 H new ATOM 0 HG23 VAL B 164 1.919 1.762 1.393 1.00 63.05 H new ATOM 1063 N VAL B 165 -0.051 0.659 5.353 1.00 42.25 N ATOM 1064 CA VAL B 165 -0.483 0.278 6.693 1.00 72.14 C ATOM 1065 C VAL B 165 -2.000 0.344 6.821 1.00 0.21 C ATOM 1066 O VAL B 165 -2.635 -0.592 7.305 1.00 21.13 O ATOM 1067 CB VAL B 165 0.152 1.183 7.765 1.00 62.21 C ATOM 1068 CG1 VAL B 165 -0.334 0.789 9.152 1.00 34.32 C ATOM 1069 CG2 VAL B 165 1.670 1.118 7.685 1.00 53.45 C ATOM 0 H VAL B 165 0.669 1.381 5.331 1.00 42.25 H new ATOM 0 HA VAL B 165 -0.153 -0.748 6.852 1.00 72.14 H new ATOM 0 HB VAL B 165 -0.156 2.212 7.577 1.00 62.21 H new ATOM 0 HG11 VAL B 165 0.125 1.439 9.897 1.00 34.32 H new ATOM 0 HG12 VAL B 165 -1.418 0.891 9.200 1.00 34.32 H new ATOM 0 HG13 VAL B 165 -0.058 -0.246 9.354 1.00 34.32 H new ATOM 0 HG21 VAL B 165 2.103 1.763 8.449 1.00 53.45 H new ATOM 0 HG22 VAL B 165 1.999 0.092 7.848 1.00 53.45 H new ATOM 0 HG23 VAL B 165 1.997 1.452 6.700 1.00 53.45 H new ATOM 1079 N VAL B 166 -2.578 1.459 6.382 1.00 24.41 N ATOM 1080 CA VAL B 166 -4.022 1.647 6.446 1.00 60.22 C ATOM 1081 C VAL B 166 -4.755 0.530 5.711 1.00 51.14 C ATOM 1082 O VAL B 166 -5.801 0.060 6.161 1.00 35.04 O ATOM 1083 CB VAL B 166 -4.438 3.002 5.843 1.00 70.15 C ATOM 1084 CG1 VAL B 166 -5.950 3.168 5.893 1.00 72.44 C ATOM 1085 CG2 VAL B 166 -3.744 4.144 6.572 1.00 11.11 C ATOM 0 H VAL B 166 -2.068 2.245 5.979 1.00 24.41 H new ATOM 0 HA VAL B 166 -4.298 1.626 7.500 1.00 60.22 H new ATOM 0 HB VAL B 166 -4.129 3.026 4.798 1.00 70.15 H new ATOM 0 HG11 VAL B 166 -6.225 4.131 5.463 1.00 72.44 H new ATOM 0 HG12 VAL B 166 -6.423 2.368 5.324 1.00 72.44 H new ATOM 0 HG13 VAL B 166 -6.287 3.124 6.929 1.00 72.44 H new ATOM 0 HG21 VAL B 166 -4.049 5.094 6.134 1.00 11.11 H new ATOM 0 HG22 VAL B 166 -4.022 4.125 7.626 1.00 11.11 H new ATOM 0 HG23 VAL B 166 -2.664 4.032 6.479 1.00 11.11 H new ATOM 1095 N LEU B 167 -4.200 0.111 4.580 1.00 64.02 N ATOM 1096 CA LEU B 167 -4.801 -0.953 3.782 1.00 51.11 C ATOM 1097 C LEU B 167 -4.802 -2.273 4.546 1.00 52.41 C ATOM 1098 O LEU B 167 -5.824 -2.953 4.628 1.00 21.21 O ATOM 1099 CB LEU B 167 -4.045 -1.116 2.462 1.00 74.43 C ATOM 1100 CG LEU B 167 -4.681 -2.053 1.435 1.00 43.42 C ATOM 1101 CD1 LEU B 167 -4.747 -1.384 0.071 1.00 21.23 C ATOM 1102 CD2 LEU B 167 -3.907 -3.360 1.354 1.00 54.30 C ATOM 0 H LEU B 167 -3.335 0.491 4.194 1.00 64.02 H new ATOM 0 HA LEU B 167 -5.834 -0.676 3.571 1.00 51.11 H new ATOM 0 HB2 LEU B 167 -3.934 -0.132 2.006 1.00 74.43 H new ATOM 0 HB3 LEU B 167 -3.042 -1.480 2.684 1.00 74.43 H new ATOM 0 HG LEU B 167 -5.698 -2.276 1.756 1.00 43.42 H new ATOM 0 HD11 LEU B 167 -5.203 -2.066 -0.647 1.00 21.23 H new ATOM 0 HD12 LEU B 167 -5.346 -0.476 0.140 1.00 21.23 H new ATOM 0 HD13 LEU B 167 -3.740 -1.130 -0.259 1.00 21.23 H new ATOM 0 HD21 LEU B 167 -4.374 -4.014 0.618 1.00 54.30 H new ATOM 0 HD22 LEU B 167 -2.878 -3.156 1.057 1.00 54.30 H new ATOM 0 HD23 LEU B 167 -3.913 -3.848 2.329 1.00 54.30 H new ATOM 1114 N GLY B 168 -3.650 -2.628 5.106 1.00 45.45 N ATOM 1115 CA GLY B 168 -3.541 -3.864 5.859 1.00 34.21 C ATOM 1116 C GLY B 168 -4.547 -3.945 6.990 1.00 43.25 C ATOM 1117 O GLY B 168 -5.190 -4.976 7.187 1.00 50.34 O ATOM 0 H GLY B 168 -2.790 -2.082 5.052 1.00 45.45 H new ATOM 0 HA2 GLY B 168 -3.686 -4.709 5.187 1.00 34.21 H new ATOM 0 HA3 GLY B 168 -2.534 -3.950 6.266 1.00 34.21 H new ATOM 1121 N VAL B 169 -4.683 -2.855 7.738 1.00 74.45 N ATOM 1122 CA VAL B 169 -5.617 -2.806 8.856 1.00 62.13 C ATOM 1123 C VAL B 169 -7.046 -3.064 8.391 1.00 63.02 C ATOM 1124 O VAL B 169 -7.759 -3.886 8.967 1.00 21.31 O ATOM 1125 CB VAL B 169 -5.561 -1.445 9.576 1.00 35.02 C ATOM 1126 CG1 VAL B 169 -6.583 -1.394 10.701 1.00 53.41 C ATOM 1127 CG2 VAL B 169 -4.160 -1.179 10.104 1.00 53.43 C ATOM 0 H VAL B 169 -4.158 -1.993 7.590 1.00 74.45 H new ATOM 0 HA VAL B 169 -5.318 -3.589 9.552 1.00 62.13 H new ATOM 0 HB VAL B 169 -5.808 -0.663 8.858 1.00 35.02 H new ATOM 0 HG11 VAL B 169 -6.529 -0.425 11.198 1.00 53.41 H new ATOM 0 HG12 VAL B 169 -7.583 -1.536 10.291 1.00 53.41 H new ATOM 0 HG13 VAL B 169 -6.371 -2.184 11.421 1.00 53.41 H new ATOM 0 HG21 VAL B 169 -4.139 -0.214 10.610 1.00 53.43 H new ATOM 0 HG22 VAL B 169 -3.881 -1.963 10.808 1.00 53.43 H new ATOM 0 HG23 VAL B 169 -3.454 -1.169 9.274 1.00 53.43 H new ATOM 1137 N VAL B 170 -7.458 -2.358 7.344 1.00 33.25 N ATOM 1138 CA VAL B 170 -8.802 -2.512 6.798 1.00 63.45 C ATOM 1139 C VAL B 170 -9.039 -3.938 6.316 1.00 23.15 C ATOM 1140 O VAL B 170 -10.007 -4.586 6.713 1.00 12.25 O ATOM 1141 CB VAL B 170 -9.048 -1.539 5.630 1.00 21.13 C ATOM 1142 CG1 VAL B 170 -10.480 -1.656 5.130 1.00 32.11 C ATOM 1143 CG2 VAL B 170 -8.736 -0.110 6.050 1.00 25.05 C ATOM 0 H VAL B 170 -6.881 -1.673 6.856 1.00 33.25 H new ATOM 0 HA VAL B 170 -9.499 -2.284 7.604 1.00 63.45 H new ATOM 0 HB VAL B 170 -8.379 -1.806 4.812 1.00 21.13 H new ATOM 0 HG11 VAL B 170 -10.635 -0.961 4.305 1.00 32.11 H new ATOM 0 HG12 VAL B 170 -10.663 -2.674 4.786 1.00 32.11 H new ATOM 0 HG13 VAL B 170 -11.169 -1.417 5.940 1.00 32.11 H new ATOM 0 HG21 VAL B 170 -8.916 0.563 5.212 1.00 25.05 H new ATOM 0 HG22 VAL B 170 -9.377 0.172 6.885 1.00 25.05 H new ATOM 0 HG23 VAL B 170 -7.692 -0.040 6.354 1.00 25.05 H new ATOM 1153 N PHE B 171 -8.147 -4.424 5.458 1.00 53.54 N ATOM 1154 CA PHE B 171 -8.259 -5.775 4.921 1.00 11.41 C ATOM 1155 C PHE B 171 -8.426 -6.794 6.044 1.00 20.50 C ATOM 1156 O PHE B 171 -9.358 -7.596 6.036 1.00 23.15 O ATOM 1157 CB PHE B 171 -7.026 -6.117 4.084 1.00 30.53 C ATOM 1158 CG PHE B 171 -7.261 -7.223 3.095 1.00 11.13 C ATOM 1159 CD1 PHE B 171 -8.242 -7.105 2.123 1.00 64.02 C ATOM 1160 CD2 PHE B 171 -6.500 -8.381 3.136 1.00 1.11 C ATOM 1161 CE1 PHE B 171 -8.460 -8.121 1.213 1.00 10.33 C ATOM 1162 CE2 PHE B 171 -6.714 -9.401 2.227 1.00 43.44 C ATOM 1163 CZ PHE B 171 -7.695 -9.270 1.264 1.00 22.13 C ATOM 0 H PHE B 171 -7.339 -3.902 5.120 1.00 53.54 H new ATOM 0 HA PHE B 171 -9.143 -5.815 4.285 1.00 11.41 H new ATOM 0 HB2 PHE B 171 -6.701 -5.225 3.549 1.00 30.53 H new ATOM 0 HB3 PHE B 171 -6.212 -6.403 4.750 1.00 30.53 H new ATOM 0 HD1 PHE B 171 -8.843 -6.209 2.077 1.00 64.02 H new ATOM 0 HD2 PHE B 171 -5.731 -8.488 3.887 1.00 1.11 H new ATOM 0 HE1 PHE B 171 -9.229 -8.017 0.462 1.00 10.33 H new ATOM 0 HE2 PHE B 171 -6.115 -10.299 2.270 1.00 43.44 H new ATOM 0 HZ PHE B 171 -7.864 -10.064 0.552 1.00 22.13 H new ATOM 1173 N GLY B 172 -7.512 -6.756 7.010 1.00 10.41 N ATOM 1174 CA GLY B 172 -7.574 -7.681 8.126 1.00 3.15 C ATOM 1175 C GLY B 172 -8.933 -7.688 8.799 1.00 1.13 C ATOM 1176 O GLY B 172 -9.584 -8.730 8.888 1.00 40.11 O ATOM 0 H GLY B 172 -6.730 -6.101 7.039 1.00 10.41 H new ATOM 0 HA2 GLY B 172 -7.341 -8.686 7.774 1.00 3.15 H new ATOM 0 HA3 GLY B 172 -6.811 -7.415 8.858 1.00 3.15 H new ATOM 1180 N ILE B 173 -9.361 -6.524 9.275 1.00 44.31 N ATOM 1181 CA ILE B 173 -10.651 -6.401 9.944 1.00 41.01 C ATOM 1182 C ILE B 173 -11.788 -6.849 9.032 1.00 2.40 C ATOM 1183 O ILE B 173 -12.722 -7.521 9.470 1.00 44.20 O ATOM 1184 CB ILE B 173 -10.913 -4.953 10.399 1.00 1.14 C ATOM 1185 CG1 ILE B 173 -9.808 -4.486 11.348 1.00 22.11 C ATOM 1186 CG2 ILE B 173 -12.275 -4.847 11.069 1.00 63.20 C ATOM 1187 CD1 ILE B 173 -9.759 -5.260 12.647 1.00 30.43 C ATOM 0 H ILE B 173 -8.834 -5.653 9.210 1.00 44.31 H new ATOM 0 HA ILE B 173 -10.615 -7.048 10.821 1.00 41.01 H new ATOM 0 HB ILE B 173 -10.910 -4.306 9.522 1.00 1.14 H new ATOM 0 HG12 ILE B 173 -8.846 -4.576 10.844 1.00 22.11 H new ATOM 0 HG13 ILE B 173 -9.954 -3.429 11.570 1.00 22.11 H new ATOM 0 HG21 ILE B 173 -12.446 -3.818 11.385 1.00 63.20 H new ATOM 0 HG22 ILE B 173 -13.051 -5.144 10.364 1.00 63.20 H new ATOM 0 HG23 ILE B 173 -12.305 -5.503 11.939 1.00 63.20 H new ATOM 0 HD11 ILE B 173 -8.952 -4.875 13.270 1.00 30.43 H new ATOM 0 HD12 ILE B 173 -10.708 -5.149 13.172 1.00 30.43 H new ATOM 0 HD13 ILE B 173 -9.582 -6.315 12.436 1.00 30.43 H new ATOM 1199 N LEU B 174 -11.703 -6.474 7.760 1.00 64.23 N ATOM 1200 CA LEU B 174 -12.724 -6.838 6.784 1.00 23.40 C ATOM 1201 C LEU B 174 -12.850 -8.353 6.669 1.00 25.55 C ATOM 1202 O LEU B 174 -13.906 -8.922 6.947 1.00 53.53 O ATOM 1203 CB LEU B 174 -12.388 -6.238 5.418 1.00 51.54 C ATOM 1204 CG LEU B 174 -12.799 -4.779 5.207 1.00 45.31 C ATOM 1205 CD1 LEU B 174 -12.362 -4.295 3.833 1.00 11.24 C ATOM 1206 CD2 LEU B 174 -14.302 -4.618 5.380 1.00 21.22 C ATOM 0 H LEU B 174 -10.937 -5.918 7.381 1.00 64.23 H new ATOM 0 HA LEU B 174 -13.678 -6.437 7.125 1.00 23.40 H new ATOM 0 HB2 LEU B 174 -11.312 -6.318 5.263 1.00 51.54 H new ATOM 0 HB3 LEU B 174 -12.867 -6.844 4.649 1.00 51.54 H new ATOM 0 HG LEU B 174 -12.300 -4.168 5.959 1.00 45.31 H new ATOM 0 HD11 LEU B 174 -12.663 -3.256 3.701 1.00 11.24 H new ATOM 0 HD12 LEU B 174 -11.278 -4.373 3.748 1.00 11.24 H new ATOM 0 HD13 LEU B 174 -12.832 -4.909 3.065 1.00 11.24 H new ATOM 0 HD21 LEU B 174 -14.576 -3.574 5.226 1.00 21.22 H new ATOM 0 HD22 LEU B 174 -14.821 -5.241 4.651 1.00 21.22 H new ATOM 0 HD23 LEU B 174 -14.587 -4.924 6.387 1.00 21.22 H new ATOM 1218 N ILE B 175 -11.765 -9.003 6.260 1.00 34.11 N ATOM 1219 CA ILE B 175 -11.754 -10.453 6.111 1.00 43.04 C ATOM 1220 C ILE B 175 -12.140 -11.142 7.415 1.00 24.04 C ATOM 1221 O ILE B 175 -12.730 -12.224 7.409 1.00 41.03 O ATOM 1222 CB ILE B 175 -10.371 -10.964 5.665 1.00 55.54 C ATOM 1223 CG1 ILE B 175 -9.933 -10.255 4.381 1.00 62.42 C ATOM 1224 CG2 ILE B 175 -10.403 -12.471 5.461 1.00 74.33 C ATOM 1225 CD1 ILE B 175 -10.752 -10.641 3.169 1.00 15.42 C ATOM 0 H ILE B 175 -10.882 -8.548 6.026 1.00 34.11 H new ATOM 0 HA ILE B 175 -12.487 -10.696 5.342 1.00 43.04 H new ATOM 0 HB ILE B 175 -9.646 -10.740 6.448 1.00 55.54 H new ATOM 0 HG12 ILE B 175 -10.003 -9.177 4.529 1.00 62.42 H new ATOM 0 HG13 ILE B 175 -8.885 -10.483 4.189 1.00 62.42 H new ATOM 0 HG21 ILE B 175 -9.418 -12.817 5.146 1.00 74.33 H new ATOM 0 HG22 ILE B 175 -10.677 -12.959 6.396 1.00 74.33 H new ATOM 0 HG23 ILE B 175 -11.137 -12.719 4.694 1.00 74.33 H new ATOM 0 HD11 ILE B 175 -10.386 -10.101 2.296 1.00 15.42 H new ATOM 0 HD12 ILE B 175 -10.663 -11.713 2.996 1.00 15.42 H new ATOM 0 HD13 ILE B 175 -11.798 -10.387 3.341 1.00 15.42 H new ATOM 1237 N LYS B 176 -11.807 -10.509 8.534 1.00 43.31 N ATOM 1238 CA LYS B 176 -12.121 -11.058 9.848 1.00 72.54 C ATOM 1239 C LYS B 176 -13.625 -11.033 10.103 1.00 71.20 C ATOM 1240 O LYS B 176 -14.250 -12.078 10.284 1.00 43.31 O ATOM 1241 CB LYS B 176 -11.395 -10.269 10.941 1.00 34.54 C ATOM 1242 CG LYS B 176 -10.103 -10.919 11.403 1.00 64.35 C ATOM 1243 CD LYS B 176 -9.232 -9.941 12.174 1.00 63.35 C ATOM 1244 CE LYS B 176 -9.251 -10.236 13.667 1.00 60.33 C ATOM 1245 NZ LYS B 176 -8.204 -9.469 14.397 1.00 52.52 N ATOM 0 H LYS B 176 -11.319 -9.614 8.558 1.00 43.31 H new ATOM 0 HA LYS B 176 -11.783 -12.094 9.871 1.00 72.54 H new ATOM 0 HB2 LYS B 176 -11.176 -9.268 10.570 1.00 34.54 H new ATOM 0 HB3 LYS B 176 -12.060 -10.153 11.797 1.00 34.54 H new ATOM 0 HG2 LYS B 176 -10.332 -11.779 12.033 1.00 64.35 H new ATOM 0 HG3 LYS B 176 -9.554 -11.294 10.539 1.00 64.35 H new ATOM 0 HD2 LYS B 176 -8.208 -9.994 11.804 1.00 63.35 H new ATOM 0 HD3 LYS B 176 -9.582 -8.924 11.998 1.00 63.35 H new ATOM 0 HE2 LYS B 176 -10.232 -9.989 14.074 1.00 60.33 H new ATOM 0 HE3 LYS B 176 -9.098 -11.303 13.828 1.00 60.33 H new ATOM 0 HZ1 LYS B 176 -8.250 -9.697 15.411 1.00 52.52 H new ATOM 0 HZ2 LYS B 176 -7.266 -9.723 14.027 1.00 52.52 H new ATOM 0 HZ3 LYS B 176 -8.364 -8.450 14.264 1.00 52.52 H new ATOM 1259 N ARG B 177 -14.199 -9.834 10.114 1.00 11.04 N ATOM 1260 CA ARG B 177 -15.630 -9.675 10.346 1.00 75.35 C ATOM 1261 C ARG B 177 -16.438 -10.437 9.301 1.00 23.14 C ATOM 1262 O ARG B 177 -17.468 -11.034 9.613 1.00 2.22 O ATOM 1263 CB ARG B 177 -16.009 -8.193 10.319 1.00 42.51 C ATOM 1264 CG ARG B 177 -15.711 -7.464 11.619 1.00 45.35 C ATOM 1265 CD ARG B 177 -16.735 -7.796 12.693 1.00 23.54 C ATOM 1266 NE ARG B 177 -18.016 -7.141 12.448 1.00 0.41 N ATOM 1267 CZ ARG B 177 -18.263 -5.872 12.755 1.00 33.32 C ATOM 1268 NH1 ARG B 177 -17.320 -5.126 13.314 1.00 22.34 N ATOM 1269 NH2 ARG B 177 -19.455 -5.346 12.501 1.00 62.12 N ATOM 0 H ARG B 177 -13.696 -8.959 9.965 1.00 11.04 H new ATOM 0 HA ARG B 177 -15.862 -10.085 11.329 1.00 75.35 H new ATOM 0 HB2 ARG B 177 -15.471 -7.704 9.507 1.00 42.51 H new ATOM 0 HB3 ARG B 177 -17.072 -8.103 10.097 1.00 42.51 H new ATOM 0 HG2 ARG B 177 -14.715 -7.735 11.969 1.00 45.35 H new ATOM 0 HG3 ARG B 177 -15.705 -6.389 11.441 1.00 45.35 H new ATOM 0 HD2 ARG B 177 -16.881 -8.875 12.733 1.00 23.54 H new ATOM 0 HD3 ARG B 177 -16.352 -7.490 13.666 1.00 23.54 H new ATOM 0 HE ARG B 177 -18.762 -7.687 12.018 1.00 0.41 H new ATOM 0 HH11 ARG B 177 -16.402 -5.526 13.509 1.00 22.34 H new ATOM 0 HH12 ARG B 177 -17.512 -4.152 13.549 1.00 22.34 H new ATOM 0 HH21 ARG B 177 -20.183 -5.916 12.070 1.00 62.12 H new ATOM 0 HH22 ARG B 177 -19.643 -4.372 12.737 1.00 62.12 H new