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 180:sc= 0 USER MOD Set 1.2: B 152 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 -41:sc= 1.15 USER MOD Single : B 153 SER OG : rot 180:sc= 0 USER MOD Single : B 156 SER OG : rot -40:sc= 1.02 USER MOD Single : B 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 50 3.212 22.356 -5.288 1.00 42.11 N ATOM 121 CA PRO A 50 2.153 21.344 -5.242 1.00 51.22 C ATOM 122 C PRO A 50 2.576 20.032 -5.895 1.00 0.21 C ATOM 123 O PRO A 50 1.955 18.990 -5.678 1.00 62.43 O ATOM 124 CB PRO A 50 1.010 21.990 -6.030 1.00 22.14 C ATOM 125 CG PRO A 50 1.680 22.954 -6.947 1.00 33.04 C ATOM 126 CD PRO A 50 2.886 23.461 -6.206 1.00 3.22 C ATOM 0 HA PRO A 50 1.887 21.079 -4.219 1.00 51.22 H new ATOM 0 HB2 PRO A 50 0.442 21.244 -6.586 1.00 22.14 H new ATOM 0 HB3 PRO A 50 0.309 22.496 -5.367 1.00 22.14 H new ATOM 0 HG2 PRO A 50 1.970 22.469 -7.879 1.00 33.04 H new ATOM 0 HG3 PRO A 50 1.010 23.773 -7.209 1.00 33.04 H new ATOM 0 HD2 PRO A 50 3.712 23.678 -6.883 1.00 3.22 H new ATOM 0 HD3 PRO A 50 2.668 24.382 -5.665 1.00 3.22 H new ATOM 134 N LEU A 51 3.634 20.089 -6.695 1.00 73.15 N ATOM 135 CA LEU A 51 4.141 18.905 -7.380 1.00 73.04 C ATOM 136 C LEU A 51 4.367 17.762 -6.396 1.00 71.43 C ATOM 137 O LEU A 51 4.191 16.591 -6.735 1.00 60.14 O ATOM 138 CB LEU A 51 5.446 19.232 -8.108 1.00 71.15 C ATOM 139 CG LEU A 51 5.347 19.389 -9.625 1.00 34.01 C ATOM 140 CD1 LEU A 51 6.515 20.207 -10.155 1.00 11.43 C ATOM 141 CD2 LEU A 51 5.299 18.026 -10.301 1.00 1.20 C ATOM 0 H LEU A 51 4.158 20.943 -6.886 1.00 73.15 H new ATOM 0 HA LEU A 51 3.395 18.590 -8.109 1.00 73.04 H new ATOM 0 HB2 LEU A 51 5.849 20.156 -7.693 1.00 71.15 H new ATOM 0 HB3 LEU A 51 6.167 18.444 -7.891 1.00 71.15 H new ATOM 0 HG LEU A 51 4.423 19.920 -9.856 1.00 34.01 H new ATOM 0 HD11 LEU A 51 6.427 20.308 -11.237 1.00 11.43 H new ATOM 0 HD12 LEU A 51 6.505 21.196 -9.696 1.00 11.43 H new ATOM 0 HD13 LEU A 51 7.451 19.704 -9.912 1.00 11.43 H new ATOM 0 HD21 LEU A 51 5.229 18.158 -11.381 1.00 1.20 H new ATOM 0 HD22 LEU A 51 6.205 17.469 -10.062 1.00 1.20 H new ATOM 0 HD23 LEU A 51 4.429 17.474 -9.945 1.00 1.20 H new ATOM 153 N THR A 52 4.757 18.109 -5.173 1.00 3.13 N ATOM 154 CA THR A 52 5.005 17.113 -4.139 1.00 21.21 C ATOM 155 C THR A 52 3.821 16.164 -3.993 1.00 2.12 C ATOM 156 O THR A 52 3.991 14.991 -3.657 1.00 43.14 O ATOM 157 CB THR A 52 5.288 17.775 -2.776 1.00 12.33 C ATOM 158 OG1 THR A 52 6.274 18.801 -2.926 1.00 74.11 O ATOM 159 CG2 THR A 52 5.768 16.747 -1.764 1.00 31.14 C ATOM 0 H THR A 52 4.908 19.073 -4.875 1.00 3.13 H new ATOM 0 HA THR A 52 5.884 16.548 -4.450 1.00 21.21 H new ATOM 0 HB THR A 52 4.360 18.214 -2.410 1.00 12.33 H new ATOM 0 HG1 THR A 52 6.447 19.218 -2.056 1.00 74.11 H new ATOM 0 HG21 THR A 52 5.961 17.238 -0.810 1.00 31.14 H new ATOM 0 HG22 THR A 52 5.002 15.983 -1.630 1.00 31.14 H new ATOM 0 HG23 THR A 52 6.685 16.282 -2.125 1.00 31.14 H new ATOM 167 N SER A 53 2.622 16.677 -4.250 1.00 32.32 N ATOM 168 CA SER A 53 1.409 15.875 -4.145 1.00 22.52 C ATOM 169 C SER A 53 1.362 14.814 -5.241 1.00 62.23 C ATOM 170 O SER A 53 1.267 13.619 -4.959 1.00 35.14 O ATOM 171 CB SER A 53 0.171 16.770 -4.232 1.00 73.31 C ATOM 172 OG SER A 53 -1.019 16.004 -4.162 1.00 22.41 O ATOM 0 H SER A 53 2.465 17.644 -4.532 1.00 32.32 H new ATOM 0 HA SER A 53 1.418 15.373 -3.178 1.00 22.52 H new ATOM 0 HB2 SER A 53 0.187 17.498 -3.421 1.00 73.31 H new ATOM 0 HB3 SER A 53 0.190 17.333 -5.165 1.00 73.31 H new ATOM 0 HG SER A 53 -1.795 16.600 -4.218 1.00 22.41 H new ATOM 178 N ILE A 54 1.428 15.261 -6.491 1.00 62.40 N ATOM 179 CA ILE A 54 1.394 14.352 -7.629 1.00 22.44 C ATOM 180 C ILE A 54 2.424 13.238 -7.473 1.00 32.33 C ATOM 181 O ILE A 54 2.130 12.067 -7.718 1.00 2.11 O ATOM 182 CB ILE A 54 1.654 15.095 -8.952 1.00 62.24 C ATOM 183 CG1 ILE A 54 0.613 16.197 -9.155 1.00 52.13 C ATOM 184 CG2 ILE A 54 1.637 14.120 -10.120 1.00 40.43 C ATOM 185 CD1 ILE A 54 -0.807 15.682 -9.230 1.00 51.21 C ATOM 0 H ILE A 54 1.505 16.247 -6.741 1.00 62.40 H new ATOM 0 HA ILE A 54 0.394 13.919 -7.657 1.00 22.44 H new ATOM 0 HB ILE A 54 2.640 15.557 -8.905 1.00 62.24 H new ATOM 0 HG12 ILE A 54 0.689 16.912 -8.336 1.00 52.13 H new ATOM 0 HG13 ILE A 54 0.843 16.738 -10.073 1.00 52.13 H new ATOM 0 HG21 ILE A 54 1.822 14.661 -11.048 1.00 40.43 H new ATOM 0 HG22 ILE A 54 2.413 13.368 -9.977 1.00 40.43 H new ATOM 0 HG23 ILE A 54 0.664 13.632 -10.173 1.00 40.43 H new ATOM 0 HD11 ILE A 54 -1.490 16.519 -9.375 1.00 51.21 H new ATOM 0 HD12 ILE A 54 -0.899 14.989 -10.067 1.00 51.21 H new ATOM 0 HD13 ILE A 54 -1.056 15.166 -8.303 1.00 51.21 H new ATOM 197 N ILE A 55 3.632 13.609 -7.064 1.00 74.45 N ATOM 198 CA ILE A 55 4.705 12.642 -6.873 1.00 34.24 C ATOM 199 C ILE A 55 4.401 11.706 -5.708 1.00 23.02 C ATOM 200 O ILE A 55 4.579 10.492 -5.810 1.00 70.40 O ATOM 201 CB ILE A 55 6.054 13.340 -6.617 1.00 31.05 C ATOM 202 CG1 ILE A 55 6.349 14.348 -7.730 1.00 64.35 C ATOM 203 CG2 ILE A 55 7.171 12.312 -6.517 1.00 11.11 C ATOM 204 CD1 ILE A 55 6.528 13.713 -9.090 1.00 73.41 C ATOM 0 H ILE A 55 3.892 14.574 -6.858 1.00 74.45 H new ATOM 0 HA ILE A 55 4.774 12.062 -7.794 1.00 34.24 H new ATOM 0 HB ILE A 55 5.995 13.878 -5.671 1.00 31.05 H new ATOM 0 HG12 ILE A 55 5.534 15.070 -7.780 1.00 64.35 H new ATOM 0 HG13 ILE A 55 7.252 14.903 -7.476 1.00 64.35 H new ATOM 0 HG21 ILE A 55 8.118 12.820 -6.336 1.00 11.11 H new ATOM 0 HG22 ILE A 55 6.963 11.628 -5.694 1.00 11.11 H new ATOM 0 HG23 ILE A 55 7.233 11.750 -7.449 1.00 11.11 H new ATOM 0 HD11 ILE A 55 6.734 14.487 -9.829 1.00 73.41 H new ATOM 0 HD12 ILE A 55 7.362 13.012 -9.057 1.00 73.41 H new ATOM 0 HD13 ILE A 55 5.617 13.181 -9.366 1.00 73.41 H new ATOM 216 N SER A 56 3.938 12.279 -4.601 1.00 75.22 N ATOM 217 CA SER A 56 3.610 11.496 -3.415 1.00 73.04 C ATOM 218 C SER A 56 2.510 10.485 -3.719 1.00 11.42 C ATOM 219 O SER A 56 2.567 9.337 -3.279 1.00 61.53 O ATOM 220 CB SER A 56 3.171 12.418 -2.276 1.00 33.12 C ATOM 221 OG SER A 56 1.884 12.957 -2.523 1.00 74.02 O ATOM 0 H SER A 56 3.782 13.282 -4.501 1.00 75.22 H new ATOM 0 HA SER A 56 4.504 10.952 -3.109 1.00 73.04 H new ATOM 0 HB2 SER A 56 3.162 11.863 -1.338 1.00 33.12 H new ATOM 0 HB3 SER A 56 3.892 13.228 -2.161 1.00 33.12 H new ATOM 0 HG SER A 56 1.809 13.204 -3.468 1.00 74.02 H new ATOM 227 N ALA A 57 1.507 10.920 -4.476 1.00 63.22 N ATOM 228 CA ALA A 57 0.393 10.053 -4.840 1.00 53.32 C ATOM 229 C ALA A 57 0.864 8.891 -5.708 1.00 44.03 C ATOM 230 O ALA A 57 0.523 7.736 -5.453 1.00 33.31 O ATOM 231 CB ALA A 57 -0.682 10.851 -5.562 1.00 54.22 C ATOM 0 H ALA A 57 1.444 11.867 -4.849 1.00 63.22 H new ATOM 0 HA ALA A 57 -0.030 9.641 -3.924 1.00 53.32 H new ATOM 0 HB1 ALA A 57 -1.508 10.191 -5.828 1.00 54.22 H new ATOM 0 HB2 ALA A 57 -1.047 11.644 -4.909 1.00 54.22 H new ATOM 0 HB3 ALA A 57 -0.263 11.290 -6.467 1.00 54.22 H new ATOM 237 N VAL A 58 1.649 9.205 -6.734 1.00 4.12 N ATOM 238 CA VAL A 58 2.166 8.186 -7.639 1.00 32.33 C ATOM 239 C VAL A 58 2.900 7.091 -6.873 1.00 71.24 C ATOM 240 O VAL A 58 2.733 5.903 -7.152 1.00 41.51 O ATOM 241 CB VAL A 58 3.121 8.795 -8.683 1.00 22.43 C ATOM 242 CG1 VAL A 58 3.721 7.706 -9.560 1.00 64.45 C ATOM 243 CG2 VAL A 58 2.396 9.831 -9.528 1.00 53.42 C ATOM 0 H VAL A 58 1.940 10.156 -6.959 1.00 4.12 H new ATOM 0 HA VAL A 58 1.307 7.753 -8.152 1.00 32.33 H new ATOM 0 HB VAL A 58 3.935 9.293 -8.156 1.00 22.43 H new ATOM 0 HG11 VAL A 58 4.393 8.156 -10.291 1.00 64.45 H new ATOM 0 HG12 VAL A 58 4.278 7.005 -8.939 1.00 64.45 H new ATOM 0 HG13 VAL A 58 2.923 7.176 -10.079 1.00 64.45 H new ATOM 0 HG21 VAL A 58 3.086 10.251 -10.260 1.00 53.42 H new ATOM 0 HG22 VAL A 58 1.561 9.359 -10.045 1.00 53.42 H new ATOM 0 HG23 VAL A 58 2.021 10.627 -8.885 1.00 53.42 H new ATOM 253 N VAL A 59 3.715 7.499 -5.904 1.00 1.44 N ATOM 254 CA VAL A 59 4.474 6.552 -5.095 1.00 51.44 C ATOM 255 C VAL A 59 3.545 5.626 -4.319 1.00 24.44 C ATOM 256 O VAL A 59 3.731 4.409 -4.309 1.00 12.02 O ATOM 257 CB VAL A 59 5.402 7.279 -4.105 1.00 31.00 C ATOM 258 CG1 VAL A 59 6.135 6.277 -3.226 1.00 43.00 C ATOM 259 CG2 VAL A 59 6.386 8.167 -4.851 1.00 33.15 C ATOM 0 H VAL A 59 3.866 8.478 -5.661 1.00 1.44 H new ATOM 0 HA VAL A 59 5.080 5.961 -5.782 1.00 51.44 H new ATOM 0 HB VAL A 59 4.792 7.913 -3.461 1.00 31.00 H new ATOM 0 HG11 VAL A 59 6.786 6.809 -2.533 1.00 43.00 H new ATOM 0 HG12 VAL A 59 5.410 5.688 -2.664 1.00 43.00 H new ATOM 0 HG13 VAL A 59 6.734 5.615 -3.851 1.00 43.00 H new ATOM 0 HG21 VAL A 59 7.034 8.673 -4.136 1.00 33.15 H new ATOM 0 HG22 VAL A 59 6.992 7.556 -5.521 1.00 33.15 H new ATOM 0 HG23 VAL A 59 5.838 8.909 -5.432 1.00 33.15 H new ATOM 269 N GLY A 60 2.544 6.209 -3.668 1.00 71.12 N ATOM 270 CA GLY A 60 1.600 5.420 -2.897 1.00 73.43 C ATOM 271 C GLY A 60 0.877 4.392 -3.743 1.00 13.03 C ATOM 272 O GLY A 60 0.861 3.206 -3.411 1.00 14.13 O ATOM 0 H GLY A 60 2.369 7.214 -3.660 1.00 71.12 H new ATOM 0 HA2 GLY A 60 2.129 4.914 -2.089 1.00 73.43 H new ATOM 0 HA3 GLY A 60 0.870 6.083 -2.434 1.00 73.43 H new ATOM 276 N ILE A 61 0.275 4.846 -4.838 1.00 64.13 N ATOM 277 CA ILE A 61 -0.454 3.957 -5.733 1.00 4.42 C ATOM 278 C ILE A 61 0.474 2.914 -6.348 1.00 50.53 C ATOM 279 O ILE A 61 0.056 1.794 -6.646 1.00 54.12 O ATOM 280 CB ILE A 61 -1.149 4.740 -6.861 1.00 41.20 C ATOM 281 CG1 ILE A 61 -2.006 5.866 -6.278 1.00 32.04 C ATOM 282 CG2 ILE A 61 -1.999 3.806 -7.709 1.00 15.30 C ATOM 283 CD1 ILE A 61 -3.179 5.371 -5.462 1.00 3.14 C ATOM 0 H ILE A 61 0.278 5.825 -5.126 1.00 64.13 H new ATOM 0 HA ILE A 61 -1.212 3.455 -5.131 1.00 4.42 H new ATOM 0 HB ILE A 61 -0.384 5.184 -7.499 1.00 41.20 H new ATOM 0 HG12 ILE A 61 -1.380 6.501 -5.651 1.00 32.04 H new ATOM 0 HG13 ILE A 61 -2.377 6.488 -7.092 1.00 32.04 H new ATOM 0 HG21 ILE A 61 -2.484 4.375 -8.502 1.00 15.30 H new ATOM 0 HG22 ILE A 61 -1.365 3.037 -8.150 1.00 15.30 H new ATOM 0 HG23 ILE A 61 -2.758 3.336 -7.083 1.00 15.30 H new ATOM 0 HD11 ILE A 61 -3.742 6.223 -5.080 1.00 3.14 H new ATOM 0 HD12 ILE A 61 -3.827 4.760 -6.090 1.00 3.14 H new ATOM 0 HD13 ILE A 61 -2.815 4.773 -4.627 1.00 3.14 H new ATOM 295 N LEU A 62 1.734 3.291 -6.535 1.00 21.04 N ATOM 296 CA LEU A 62 2.723 2.388 -7.114 1.00 60.22 C ATOM 297 C LEU A 62 3.058 1.256 -6.149 1.00 63.41 C ATOM 298 O LEU A 62 3.009 0.080 -6.512 1.00 20.25 O ATOM 299 CB LEU A 62 3.994 3.158 -7.476 1.00 33.24 C ATOM 300 CG LEU A 62 5.052 2.377 -8.258 1.00 31.34 C ATOM 301 CD1 LEU A 62 5.011 2.750 -9.731 1.00 51.34 C ATOM 302 CD2 LEU A 62 6.436 2.630 -7.680 1.00 72.15 C ATOM 0 H LEU A 62 2.095 4.214 -6.295 1.00 21.04 H new ATOM 0 HA LEU A 62 2.298 1.954 -8.019 1.00 60.22 H new ATOM 0 HB2 LEU A 62 3.711 4.033 -8.061 1.00 33.24 H new ATOM 0 HB3 LEU A 62 4.448 3.524 -6.555 1.00 33.24 H new ATOM 0 HG LEU A 62 4.831 1.313 -8.168 1.00 31.34 H new ATOM 0 HD11 LEU A 62 5.771 2.184 -10.271 1.00 51.34 H new ATOM 0 HD12 LEU A 62 4.027 2.517 -10.138 1.00 51.34 H new ATOM 0 HD13 LEU A 62 5.206 3.817 -9.842 1.00 51.34 H new ATOM 0 HD21 LEU A 62 7.176 2.067 -8.248 1.00 72.15 H new ATOM 0 HD22 LEU A 62 6.666 3.694 -7.739 1.00 72.15 H new ATOM 0 HD23 LEU A 62 6.459 2.311 -6.638 1.00 72.15 H new ATOM 314 N LEU A 63 3.397 1.617 -4.916 1.00 61.52 N ATOM 315 CA LEU A 63 3.739 0.632 -3.896 1.00 10.44 C ATOM 316 C LEU A 63 2.589 -0.347 -3.679 1.00 63.40 C ATOM 317 O LEU A 63 2.809 -1.537 -3.454 1.00 5.33 O ATOM 318 CB LEU A 63 4.084 1.330 -2.580 1.00 72.40 C ATOM 319 CG LEU A 63 5.176 0.670 -1.737 1.00 61.53 C ATOM 320 CD1 LEU A 63 4.763 -0.738 -1.337 1.00 22.13 C ATOM 321 CD2 LEU A 63 6.495 0.646 -2.495 1.00 71.05 C ATOM 0 H LEU A 63 3.442 2.585 -4.598 1.00 61.52 H new ATOM 0 HA LEU A 63 4.608 0.073 -4.242 1.00 10.44 H new ATOM 0 HB2 LEU A 63 4.393 2.351 -2.803 1.00 72.40 H new ATOM 0 HB3 LEU A 63 3.178 1.395 -1.978 1.00 72.40 H new ATOM 0 HG LEU A 63 5.313 1.258 -0.830 1.00 61.53 H new ATOM 0 HD11 LEU A 63 5.552 -1.192 -0.738 1.00 22.13 H new ATOM 0 HD12 LEU A 63 3.843 -0.695 -0.754 1.00 22.13 H new ATOM 0 HD13 LEU A 63 4.597 -1.337 -2.233 1.00 22.13 H new ATOM 0 HD21 LEU A 63 7.260 0.173 -1.879 1.00 71.05 H new ATOM 0 HD22 LEU A 63 6.373 0.082 -3.420 1.00 71.05 H new ATOM 0 HD23 LEU A 63 6.798 1.666 -2.730 1.00 71.05 H new ATOM 333 N VAL A 64 1.364 0.161 -3.749 1.00 51.45 N ATOM 334 CA VAL A 64 0.179 -0.668 -3.563 1.00 13.35 C ATOM 335 C VAL A 64 0.080 -1.735 -4.648 1.00 61.12 C ATOM 336 O VAL A 64 0.076 -2.931 -4.359 1.00 74.31 O ATOM 337 CB VAL A 64 -1.107 0.179 -3.572 1.00 32.23 C ATOM 338 CG1 VAL A 64 -2.332 -0.707 -3.409 1.00 31.32 C ATOM 339 CG2 VAL A 64 -1.056 1.237 -2.480 1.00 35.41 C ATOM 0 H VAL A 64 1.165 1.144 -3.933 1.00 51.45 H new ATOM 0 HA VAL A 64 0.280 -1.150 -2.591 1.00 13.35 H new ATOM 0 HB VAL A 64 -1.180 0.686 -4.534 1.00 32.23 H new ATOM 0 HG11 VAL A 64 -3.231 -0.090 -3.418 1.00 31.32 H new ATOM 0 HG12 VAL A 64 -2.375 -1.423 -4.230 1.00 31.32 H new ATOM 0 HG13 VAL A 64 -2.269 -1.244 -2.462 1.00 31.32 H new ATOM 0 HG21 VAL A 64 -1.973 1.826 -2.501 1.00 35.41 H new ATOM 0 HG22 VAL A 64 -0.958 0.753 -1.508 1.00 35.41 H new ATOM 0 HG23 VAL A 64 -0.200 1.891 -2.647 1.00 35.41 H new ATOM 349 N VAL A 65 -0.001 -1.292 -5.899 1.00 21.22 N ATOM 350 CA VAL A 65 -0.099 -2.209 -7.029 1.00 62.42 C ATOM 351 C VAL A 65 1.003 -3.262 -6.980 1.00 43.11 C ATOM 352 O VAL A 65 0.745 -4.454 -7.145 1.00 63.34 O ATOM 353 CB VAL A 65 -0.015 -1.457 -8.371 1.00 64.14 C ATOM 354 CG1 VAL A 65 -0.090 -2.433 -9.535 1.00 52.42 C ATOM 355 CG2 VAL A 65 -1.118 -0.414 -8.466 1.00 74.32 C ATOM 0 H VAL A 65 -0.001 -0.305 -6.155 1.00 21.22 H new ATOM 0 HA VAL A 65 -1.070 -2.699 -6.955 1.00 62.42 H new ATOM 0 HB VAL A 65 0.945 -0.943 -8.421 1.00 64.14 H new ATOM 0 HG11 VAL A 65 -0.029 -1.884 -10.475 1.00 52.42 H new ATOM 0 HG12 VAL A 65 0.739 -3.138 -9.472 1.00 52.42 H new ATOM 0 HG13 VAL A 65 -1.033 -2.977 -9.493 1.00 52.42 H new ATOM 0 HG21 VAL A 65 -1.044 0.108 -9.420 1.00 74.32 H new ATOM 0 HG22 VAL A 65 -2.089 -0.904 -8.395 1.00 74.32 H new ATOM 0 HG23 VAL A 65 -1.012 0.302 -7.651 1.00 74.32 H new ATOM 365 N VAL A 66 2.234 -2.813 -6.751 1.00 42.42 N ATOM 366 CA VAL A 66 3.375 -3.716 -6.678 1.00 64.31 C ATOM 367 C VAL A 66 3.160 -4.790 -5.617 1.00 10.21 C ATOM 368 O VAL A 66 3.524 -5.950 -5.810 1.00 5.13 O ATOM 369 CB VAL A 66 4.676 -2.953 -6.363 1.00 5.31 C ATOM 370 CG1 VAL A 66 5.848 -3.916 -6.261 1.00 32.40 C ATOM 371 CG2 VAL A 66 4.938 -1.890 -7.419 1.00 10.23 C ATOM 0 H VAL A 66 2.465 -1.829 -6.613 1.00 42.42 H new ATOM 0 HA VAL A 66 3.467 -4.188 -7.656 1.00 64.31 H new ATOM 0 HB VAL A 66 4.562 -2.455 -5.400 1.00 5.31 H new ATOM 0 HG11 VAL A 66 6.758 -3.359 -6.038 1.00 32.40 H new ATOM 0 HG12 VAL A 66 5.659 -4.636 -5.465 1.00 32.40 H new ATOM 0 HG13 VAL A 66 5.968 -4.444 -7.207 1.00 32.40 H new ATOM 0 HG21 VAL A 66 5.861 -1.361 -7.181 1.00 10.23 H new ATOM 0 HG22 VAL A 66 5.033 -2.363 -8.396 1.00 10.23 H new ATOM 0 HG23 VAL A 66 4.108 -1.183 -7.437 1.00 10.23 H new ATOM 381 N LEU A 67 2.565 -4.395 -4.496 1.00 30.51 N ATOM 382 CA LEU A 67 2.300 -5.325 -3.403 1.00 51.51 C ATOM 383 C LEU A 67 1.313 -6.405 -3.834 1.00 33.22 C ATOM 384 O LEU A 67 1.557 -7.595 -3.642 1.00 64.02 O ATOM 385 CB LEU A 67 1.751 -4.572 -2.190 1.00 73.43 C ATOM 386 CG LEU A 67 2.082 -5.170 -0.822 1.00 22.12 C ATOM 387 CD1 LEU A 67 1.535 -6.585 -0.713 1.00 2.30 C ATOM 388 CD2 LEU A 67 3.584 -5.158 -0.584 1.00 33.41 C ATOM 0 H LEU A 67 2.257 -3.439 -4.320 1.00 30.51 H new ATOM 0 HA LEU A 67 3.240 -5.805 -3.131 1.00 51.51 H new ATOM 0 HB2 LEU A 67 2.131 -3.551 -2.219 1.00 73.43 H new ATOM 0 HB3 LEU A 67 0.667 -4.512 -2.285 1.00 73.43 H new ATOM 0 HG LEU A 67 1.608 -4.558 -0.055 1.00 22.12 H new ATOM 0 HD11 LEU A 67 1.780 -6.995 0.267 1.00 2.30 H new ATOM 0 HD12 LEU A 67 0.452 -6.567 -0.839 1.00 2.30 H new ATOM 0 HD13 LEU A 67 1.980 -7.208 -1.489 1.00 2.30 H new ATOM 0 HD21 LEU A 67 3.801 -5.587 0.394 1.00 33.41 H new ATOM 0 HD22 LEU A 67 4.079 -5.746 -1.356 1.00 33.41 H new ATOM 0 HD23 LEU A 67 3.950 -4.132 -0.619 1.00 33.41 H new ATOM 400 N GLY A 68 0.198 -5.982 -4.421 1.00 40.45 N ATOM 401 CA GLY A 68 -0.808 -6.925 -4.873 1.00 61.20 C ATOM 402 C GLY A 68 -0.245 -7.961 -5.825 1.00 72.42 C ATOM 403 O GLY A 68 -0.531 -9.152 -5.699 1.00 52.52 O ATOM 0 H GLY A 68 -0.027 -5.002 -4.592 1.00 40.45 H new ATOM 0 HA2 GLY A 68 -1.244 -7.428 -4.010 1.00 61.20 H new ATOM 0 HA3 GLY A 68 -1.614 -6.383 -5.367 1.00 61.20 H new ATOM 407 N VAL A 69 0.559 -7.509 -6.782 1.00 70.32 N ATOM 408 CA VAL A 69 1.164 -8.405 -7.760 1.00 12.41 C ATOM 409 C VAL A 69 2.021 -9.465 -7.078 1.00 62.53 C ATOM 410 O VAL A 69 1.899 -10.655 -7.364 1.00 32.54 O ATOM 411 CB VAL A 69 2.031 -7.630 -8.771 1.00 45.00 C ATOM 412 CG1 VAL A 69 2.699 -8.588 -9.745 1.00 64.53 C ATOM 413 CG2 VAL A 69 1.193 -6.601 -9.513 1.00 72.04 C ATOM 0 H VAL A 69 0.807 -6.527 -6.901 1.00 70.32 H new ATOM 0 HA VAL A 69 0.346 -8.891 -8.292 1.00 12.41 H new ATOM 0 HB VAL A 69 2.812 -7.102 -8.224 1.00 45.00 H new ATOM 0 HG11 VAL A 69 3.307 -8.023 -10.452 1.00 64.53 H new ATOM 0 HG12 VAL A 69 3.333 -9.283 -9.195 1.00 64.53 H new ATOM 0 HG13 VAL A 69 1.936 -9.146 -10.288 1.00 64.53 H new ATOM 0 HG21 VAL A 69 1.822 -6.063 -10.223 1.00 72.04 H new ATOM 0 HG22 VAL A 69 0.389 -7.105 -10.050 1.00 72.04 H new ATOM 0 HG23 VAL A 69 0.767 -5.896 -8.799 1.00 72.04 H new ATOM 423 N VAL A 70 2.889 -9.024 -6.173 1.00 50.45 N ATOM 424 CA VAL A 70 3.767 -9.934 -5.448 1.00 12.21 C ATOM 425 C VAL A 70 2.962 -10.957 -4.654 1.00 40.23 C ATOM 426 O VAL A 70 3.162 -12.164 -4.791 1.00 33.12 O ATOM 427 CB VAL A 70 4.697 -9.170 -4.487 1.00 12.03 C ATOM 428 CG1 VAL A 70 5.664 -10.128 -3.806 1.00 23.22 C ATOM 429 CG2 VAL A 70 5.451 -8.079 -5.231 1.00 12.53 C ATOM 0 H VAL A 70 3.003 -8.041 -5.925 1.00 50.45 H new ATOM 0 HA VAL A 70 4.373 -10.451 -6.192 1.00 12.21 H new ATOM 0 HB VAL A 70 4.087 -8.698 -3.717 1.00 12.03 H new ATOM 0 HG11 VAL A 70 6.313 -9.571 -3.131 1.00 23.22 H new ATOM 0 HG12 VAL A 70 5.102 -10.870 -3.239 1.00 23.22 H new ATOM 0 HG13 VAL A 70 6.270 -10.630 -4.560 1.00 23.22 H new ATOM 0 HG21 VAL A 70 6.103 -7.549 -4.537 1.00 12.53 H new ATOM 0 HG22 VAL A 70 6.051 -8.527 -6.023 1.00 12.53 H new ATOM 0 HG23 VAL A 70 4.740 -7.378 -5.667 1.00 12.53 H new ATOM 439 N PHE A 71 2.049 -10.466 -3.821 1.00 72.50 N ATOM 440 CA PHE A 71 1.214 -11.337 -3.003 1.00 34.32 C ATOM 441 C PHE A 71 0.533 -12.400 -3.861 1.00 53.44 C ATOM 442 O PHE A 71 0.634 -13.595 -3.585 1.00 53.34 O ATOM 443 CB PHE A 71 0.161 -10.516 -2.258 1.00 43.25 C ATOM 444 CG PHE A 71 -0.413 -11.220 -1.061 1.00 33.23 C ATOM 445 CD1 PHE A 71 0.420 -11.782 -0.107 1.00 11.30 C ATOM 446 CD2 PHE A 71 -1.784 -11.320 -0.891 1.00 1.42 C ATOM 447 CE1 PHE A 71 -0.105 -12.431 0.996 1.00 74.31 C ATOM 448 CE2 PHE A 71 -2.314 -11.967 0.209 1.00 22.11 C ATOM 449 CZ PHE A 71 -1.474 -12.524 1.153 1.00 13.22 C ATOM 0 H PHE A 71 1.869 -9.470 -3.695 1.00 72.50 H new ATOM 0 HA PHE A 71 1.855 -11.837 -2.277 1.00 34.32 H new ATOM 0 HB2 PHE A 71 0.607 -9.575 -1.937 1.00 43.25 H new ATOM 0 HB3 PHE A 71 -0.648 -10.268 -2.946 1.00 43.25 H new ATOM 0 HD1 PHE A 71 1.491 -11.713 -0.226 1.00 11.30 H new ATOM 0 HD2 PHE A 71 -2.446 -10.887 -1.626 1.00 1.42 H new ATOM 0 HE1 PHE A 71 0.555 -12.864 1.733 1.00 74.31 H new ATOM 0 HE2 PHE A 71 -3.385 -12.037 0.330 1.00 22.11 H new ATOM 0 HZ PHE A 71 -1.887 -13.031 2.012 1.00 13.22 H new ATOM 459 N GLY A 72 -0.162 -11.954 -4.903 1.00 30.11 N ATOM 460 CA GLY A 72 -0.851 -12.878 -5.785 1.00 32.21 C ATOM 461 C GLY A 72 0.056 -13.982 -6.290 1.00 13.12 C ATOM 462 O GLY A 72 -0.218 -15.163 -6.082 1.00 3.35 O ATOM 0 H GLY A 72 -0.260 -10.970 -5.152 1.00 30.11 H new ATOM 0 HA2 GLY A 72 -1.696 -13.319 -5.256 1.00 32.21 H new ATOM 0 HA3 GLY A 72 -1.258 -12.330 -6.634 1.00 32.21 H new ATOM 466 N ILE A 73 1.139 -13.597 -6.958 1.00 22.34 N ATOM 467 CA ILE A 73 2.088 -14.564 -7.495 1.00 31.53 C ATOM 468 C ILE A 73 2.647 -15.456 -6.392 1.00 75.34 C ATOM 469 O ILE A 73 2.820 -16.660 -6.580 1.00 31.14 O ATOM 470 CB ILE A 73 3.256 -13.865 -8.216 1.00 0.42 C ATOM 471 CG1 ILE A 73 2.729 -12.991 -9.357 1.00 72.31 C ATOM 472 CG2 ILE A 73 4.245 -14.894 -8.743 1.00 30.02 C ATOM 473 CD1 ILE A 73 3.764 -12.040 -9.916 1.00 42.32 C ATOM 0 H ILE A 73 1.380 -12.623 -7.140 1.00 22.34 H new ATOM 0 HA ILE A 73 1.543 -15.177 -8.213 1.00 31.53 H new ATOM 0 HB ILE A 73 3.774 -13.225 -7.502 1.00 0.42 H new ATOM 0 HG12 ILE A 73 2.367 -13.634 -10.159 1.00 72.31 H new ATOM 0 HG13 ILE A 73 1.875 -12.416 -8.999 1.00 72.31 H new ATOM 0 HG21 ILE A 73 5.065 -14.385 -9.250 1.00 30.02 H new ATOM 0 HG22 ILE A 73 4.640 -15.478 -7.912 1.00 30.02 H new ATOM 0 HG23 ILE A 73 3.740 -15.557 -9.445 1.00 30.02 H new ATOM 0 HD11 ILE A 73 3.321 -11.453 -10.720 1.00 42.32 H new ATOM 0 HD12 ILE A 73 4.109 -11.372 -9.126 1.00 42.32 H new ATOM 0 HD13 ILE A 73 4.609 -12.609 -10.305 1.00 42.32 H new ATOM 834 N PRO B 150 14.377 17.955 -2.274 1.00 41.35 N ATOM 835 CA PRO B 150 14.395 16.566 -1.808 1.00 64.00 C ATOM 836 C PRO B 150 13.233 16.254 -0.870 1.00 2.34 C ATOM 837 O PRO B 150 12.893 15.090 -0.654 1.00 23.14 O ATOM 838 CB PRO B 150 15.727 16.459 -1.062 1.00 70.12 C ATOM 839 CG PRO B 150 16.031 17.852 -0.628 1.00 13.42 C ATOM 840 CD PRO B 150 15.476 18.749 -1.700 1.00 42.31 C ATOM 0 HA PRO B 150 14.294 15.859 -2.631 1.00 64.00 H new ATOM 0 HB2 PRO B 150 15.649 15.786 -0.208 1.00 70.12 H new ATOM 0 HB3 PRO B 150 16.512 16.065 -1.708 1.00 70.12 H new ATOM 0 HG2 PRO B 150 15.574 18.069 0.338 1.00 13.42 H new ATOM 0 HG3 PRO B 150 17.105 17.999 -0.513 1.00 13.42 H new ATOM 0 HD2 PRO B 150 15.118 19.693 -1.289 1.00 42.31 H new ATOM 0 HD3 PRO B 150 16.229 18.993 -2.449 1.00 42.31 H new ATOM 848 N LEU B 151 12.627 17.298 -0.317 1.00 52.03 N ATOM 849 CA LEU B 151 11.503 17.136 0.597 1.00 15.33 C ATOM 850 C LEU B 151 10.410 16.278 -0.032 1.00 15.34 C ATOM 851 O LEU B 151 9.736 15.508 0.654 1.00 64.32 O ATOM 852 CB LEU B 151 10.935 18.502 0.986 1.00 45.31 C ATOM 853 CG LEU B 151 11.287 19.001 2.387 1.00 30.50 C ATOM 854 CD1 LEU B 151 11.148 20.513 2.467 1.00 13.33 C ATOM 855 CD2 LEU B 151 10.409 18.327 3.431 1.00 20.12 C ATOM 0 H LEU B 151 12.896 18.267 -0.486 1.00 52.03 H new ATOM 0 HA LEU B 151 11.865 16.632 1.493 1.00 15.33 H new ATOM 0 HB2 LEU B 151 11.284 19.238 0.262 1.00 45.31 H new ATOM 0 HB3 LEU B 151 9.849 18.460 0.899 1.00 45.31 H new ATOM 0 HG LEU B 151 12.325 18.741 2.593 1.00 30.50 H new ATOM 0 HD11 LEU B 151 11.403 20.849 3.472 1.00 13.33 H new ATOM 0 HD12 LEU B 151 11.821 20.979 1.747 1.00 13.33 H new ATOM 0 HD13 LEU B 151 10.120 20.796 2.239 1.00 13.33 H new ATOM 0 HD21 LEU B 151 10.674 18.695 4.422 1.00 20.12 H new ATOM 0 HD22 LEU B 151 9.362 18.554 3.228 1.00 20.12 H new ATOM 0 HD23 LEU B 151 10.560 17.248 3.392 1.00 20.12 H new ATOM 867 N THR B 152 10.239 16.414 -1.344 1.00 51.42 N ATOM 868 CA THR B 152 9.228 15.651 -2.066 1.00 50.24 C ATOM 869 C THR B 152 9.360 14.159 -1.784 1.00 35.23 C ATOM 870 O THR B 152 8.370 13.428 -1.787 1.00 64.23 O ATOM 871 CB THR B 152 9.327 15.887 -3.585 1.00 22.25 C ATOM 872 OG1 THR B 152 9.380 17.290 -3.861 1.00 34.10 O ATOM 873 CG2 THR B 152 8.139 15.266 -4.307 1.00 51.14 C ATOM 0 H THR B 152 10.788 17.045 -1.928 1.00 51.42 H new ATOM 0 HA THR B 152 8.257 15.999 -1.714 1.00 50.24 H new ATOM 0 HB THR B 152 10.240 15.413 -3.946 1.00 22.25 H new ATOM 0 HG1 THR B 152 9.445 17.431 -4.829 1.00 34.10 H new ATOM 0 HG21 THR B 152 8.230 15.445 -5.378 1.00 51.14 H new ATOM 0 HG22 THR B 152 8.120 14.193 -4.119 1.00 51.14 H new ATOM 0 HG23 THR B 152 7.216 15.715 -3.941 1.00 51.14 H new ATOM 881 N SER B 153 10.589 13.714 -1.541 1.00 53.23 N ATOM 882 CA SER B 153 10.850 12.307 -1.260 1.00 34.34 C ATOM 883 C SER B 153 10.268 11.906 0.092 1.00 34.00 C ATOM 884 O SER B 153 9.454 10.986 0.180 1.00 43.05 O ATOM 885 CB SER B 153 12.355 12.031 -1.282 1.00 54.25 C ATOM 886 OG SER B 153 12.630 10.675 -0.980 1.00 52.23 O ATOM 0 H SER B 153 11.419 14.307 -1.533 1.00 53.23 H new ATOM 0 HA SER B 153 10.367 11.712 -2.035 1.00 34.34 H new ATOM 0 HB2 SER B 153 12.758 12.277 -2.264 1.00 54.25 H new ATOM 0 HB3 SER B 153 12.857 12.676 -0.561 1.00 54.25 H new ATOM 0 HG SER B 153 13.598 10.525 -1.002 1.00 52.23 H new ATOM 892 N ILE B 154 10.691 12.602 1.141 1.00 33.34 N ATOM 893 CA ILE B 154 10.212 12.319 2.488 1.00 51.12 C ATOM 894 C ILE B 154 8.688 12.284 2.534 1.00 33.12 C ATOM 895 O ILE B 154 8.096 11.391 3.138 1.00 4.04 O ATOM 896 CB ILE B 154 10.721 13.366 3.498 1.00 3.43 C ATOM 897 CG1 ILE B 154 12.250 13.400 3.503 1.00 31.34 C ATOM 898 CG2 ILE B 154 10.187 13.061 4.890 1.00 31.23 C ATOM 899 CD1 ILE B 154 12.882 12.084 3.901 1.00 10.31 C ATOM 0 H ILE B 154 11.364 13.366 1.084 1.00 33.34 H new ATOM 0 HA ILE B 154 10.604 11.340 2.763 1.00 51.12 H new ATOM 0 HB ILE B 154 10.356 14.348 3.197 1.00 3.43 H new ATOM 0 HG12 ILE B 154 12.603 13.677 2.510 1.00 31.34 H new ATOM 0 HG13 ILE B 154 12.586 14.177 4.189 1.00 31.34 H new ATOM 0 HG21 ILE B 154 10.555 13.809 5.593 1.00 31.23 H new ATOM 0 HG22 ILE B 154 9.097 13.083 4.874 1.00 31.23 H new ATOM 0 HG23 ILE B 154 10.526 12.073 5.201 1.00 31.23 H new ATOM 0 HD11 ILE B 154 13.967 12.181 3.883 1.00 10.31 H new ATOM 0 HD12 ILE B 154 12.559 11.814 4.906 1.00 10.31 H new ATOM 0 HD13 ILE B 154 12.576 11.307 3.201 1.00 10.31 H new ATOM 911 N ILE B 155 8.060 13.262 1.888 1.00 24.11 N ATOM 912 CA ILE B 155 6.605 13.341 1.852 1.00 34.31 C ATOM 913 C ILE B 155 6.012 12.187 1.051 1.00 42.33 C ATOM 914 O ILE B 155 5.041 11.558 1.474 1.00 54.10 O ATOM 915 CB ILE B 155 6.128 14.673 1.243 1.00 32.45 C ATOM 916 CG1 ILE B 155 6.771 15.852 1.975 1.00 60.21 C ATOM 917 CG2 ILE B 155 4.612 14.770 1.302 1.00 4.35 C ATOM 918 CD1 ILE B 155 6.362 15.958 3.427 1.00 25.42 C ATOM 0 H ILE B 155 8.536 14.010 1.383 1.00 24.11 H new ATOM 0 HA ILE B 155 6.260 13.279 2.884 1.00 34.31 H new ATOM 0 HB ILE B 155 6.434 14.707 0.197 1.00 32.45 H new ATOM 0 HG12 ILE B 155 7.855 15.757 1.918 1.00 60.21 H new ATOM 0 HG13 ILE B 155 6.504 16.776 1.463 1.00 60.21 H new ATOM 0 HG21 ILE B 155 4.291 15.717 0.868 1.00 4.35 H new ATOM 0 HG22 ILE B 155 4.173 13.946 0.740 1.00 4.35 H new ATOM 0 HG23 ILE B 155 4.284 14.717 2.340 1.00 4.35 H new ATOM 0 HD11 ILE B 155 6.856 16.816 3.882 1.00 25.42 H new ATOM 0 HD12 ILE B 155 5.281 16.085 3.492 1.00 25.42 H new ATOM 0 HD13 ILE B 155 6.653 15.050 3.954 1.00 25.42 H new ATOM 930 N SER B 156 6.602 11.913 -0.108 1.00 21.31 N ATOM 931 CA SER B 156 6.131 10.835 -0.970 1.00 3.32 C ATOM 932 C SER B 156 6.217 9.490 -0.254 1.00 14.13 C ATOM 933 O SER B 156 5.309 8.664 -0.351 1.00 73.10 O ATOM 934 CB SER B 156 6.949 10.792 -2.261 1.00 33.13 C ATOM 935 OG SER B 156 8.256 10.300 -2.021 1.00 72.23 O ATOM 0 H SER B 156 7.407 12.423 -0.472 1.00 21.31 H new ATOM 0 HA SER B 156 5.087 11.029 -1.216 1.00 3.32 H new ATOM 0 HB2 SER B 156 6.447 10.158 -2.992 1.00 33.13 H new ATOM 0 HB3 SER B 156 7.007 11.792 -2.692 1.00 33.13 H new ATOM 0 HG SER B 156 8.593 10.664 -1.176 1.00 72.23 H new ATOM 941 N ALA B 157 7.315 9.278 0.462 1.00 32.42 N ATOM 942 CA ALA B 157 7.520 8.034 1.196 1.00 52.00 C ATOM 943 C ALA B 157 6.477 7.867 2.295 1.00 11.34 C ATOM 944 O ALA B 157 5.862 6.808 2.425 1.00 75.13 O ATOM 945 CB ALA B 157 8.922 7.995 1.785 1.00 61.12 C ATOM 0 H ALA B 157 8.077 9.951 0.550 1.00 32.42 H new ATOM 0 HA ALA B 157 7.408 7.205 0.497 1.00 52.00 H new ATOM 0 HB1 ALA B 157 9.062 7.062 2.330 1.00 61.12 H new ATOM 0 HB2 ALA B 157 9.656 8.060 0.982 1.00 61.12 H new ATOM 0 HB3 ALA B 157 9.054 8.836 2.466 1.00 61.12 H new ATOM 951 N VAL B 158 6.281 8.919 3.084 1.00 23.32 N ATOM 952 CA VAL B 158 5.311 8.887 4.171 1.00 44.24 C ATOM 953 C VAL B 158 3.932 8.480 3.667 1.00 40.55 C ATOM 954 O VAL B 158 3.241 7.676 4.293 1.00 50.02 O ATOM 955 CB VAL B 158 5.206 10.257 4.870 1.00 23.30 C ATOM 956 CG1 VAL B 158 4.126 10.229 5.940 1.00 42.23 C ATOM 957 CG2 VAL B 158 6.548 10.654 5.465 1.00 20.40 C ATOM 0 H VAL B 158 6.781 9.803 2.990 1.00 23.32 H new ATOM 0 HA VAL B 158 5.665 8.146 4.888 1.00 44.24 H new ATOM 0 HB VAL B 158 4.928 11.005 4.127 1.00 23.30 H new ATOM 0 HG11 VAL B 158 4.066 11.205 6.423 1.00 42.23 H new ATOM 0 HG12 VAL B 158 3.166 9.992 5.482 1.00 42.23 H new ATOM 0 HG13 VAL B 158 4.370 9.471 6.684 1.00 42.23 H new ATOM 0 HG21 VAL B 158 6.456 11.623 5.955 1.00 20.40 H new ATOM 0 HG22 VAL B 158 6.858 9.906 6.195 1.00 20.40 H new ATOM 0 HG23 VAL B 158 7.293 10.717 4.672 1.00 20.40 H new ATOM 967 N VAL B 159 3.535 9.041 2.529 1.00 1.52 N ATOM 968 CA VAL B 159 2.237 8.736 1.938 1.00 11.13 C ATOM 969 C VAL B 159 2.131 7.257 1.580 1.00 53.34 C ATOM 970 O VAL B 159 1.139 6.601 1.894 1.00 44.14 O ATOM 971 CB VAL B 159 1.984 9.578 0.674 1.00 33.02 C ATOM 972 CG1 VAL B 159 0.656 9.200 0.036 1.00 34.44 C ATOM 973 CG2 VAL B 159 2.021 11.062 1.006 1.00 44.31 C ATOM 0 H VAL B 159 4.094 9.709 1.998 1.00 1.52 H new ATOM 0 HA VAL B 159 1.483 8.982 2.686 1.00 11.13 H new ATOM 0 HB VAL B 159 2.777 9.369 -0.044 1.00 33.02 H new ATOM 0 HG11 VAL B 159 0.495 9.806 -0.856 1.00 34.44 H new ATOM 0 HG12 VAL B 159 0.672 8.146 -0.240 1.00 34.44 H new ATOM 0 HG13 VAL B 159 -0.152 9.377 0.746 1.00 34.44 H new ATOM 0 HG21 VAL B 159 1.840 11.642 0.101 1.00 44.31 H new ATOM 0 HG22 VAL B 159 1.250 11.289 1.743 1.00 44.31 H new ATOM 0 HG23 VAL B 159 2.999 11.320 1.413 1.00 44.31 H new ATOM 983 N GLY B 160 3.162 6.738 0.919 1.00 64.03 N ATOM 984 CA GLY B 160 3.165 5.341 0.529 1.00 71.00 C ATOM 985 C GLY B 160 3.042 4.407 1.717 1.00 43.41 C ATOM 986 O GLY B 160 2.172 3.535 1.742 1.00 74.42 O ATOM 0 H GLY B 160 3.995 7.261 0.647 1.00 64.03 H new ATOM 0 HA2 GLY B 160 2.341 5.158 -0.160 1.00 71.00 H new ATOM 0 HA3 GLY B 160 4.086 5.119 -0.010 1.00 71.00 H new ATOM 990 N ILE B 161 3.913 4.589 2.703 1.00 31.03 N ATOM 991 CA ILE B 161 3.898 3.754 3.899 1.00 53.15 C ATOM 992 C ILE B 161 2.584 3.907 4.658 1.00 14.15 C ATOM 993 O ILE B 161 2.121 2.972 5.313 1.00 35.54 O ATOM 994 CB ILE B 161 5.065 4.101 4.842 1.00 33.13 C ATOM 995 CG1 ILE B 161 6.393 4.058 4.082 1.00 62.31 C ATOM 996 CG2 ILE B 161 5.093 3.144 6.023 1.00 24.41 C ATOM 997 CD1 ILE B 161 6.770 2.674 3.602 1.00 45.42 C ATOM 0 H ILE B 161 4.638 5.307 2.698 1.00 31.03 H new ATOM 0 HA ILE B 161 4.005 2.722 3.566 1.00 53.15 H new ATOM 0 HB ILE B 161 4.918 5.112 5.222 1.00 33.13 H new ATOM 0 HG12 ILE B 161 6.333 4.728 3.224 1.00 62.31 H new ATOM 0 HG13 ILE B 161 7.185 4.438 4.728 1.00 62.31 H new ATOM 0 HG21 ILE B 161 5.923 3.402 6.681 1.00 24.41 H new ATOM 0 HG22 ILE B 161 4.156 3.219 6.575 1.00 24.41 H new ATOM 0 HG23 ILE B 161 5.220 2.124 5.661 1.00 24.41 H new ATOM 0 HD11 ILE B 161 7.721 2.719 3.072 1.00 45.42 H new ATOM 0 HD12 ILE B 161 6.863 2.005 4.457 1.00 45.42 H new ATOM 0 HD13 ILE B 161 5.998 2.299 2.930 1.00 45.42 H new ATOM 1009 N LEU B 162 1.986 5.089 4.564 1.00 20.31 N ATOM 1010 CA LEU B 162 0.723 5.363 5.241 1.00 41.15 C ATOM 1011 C LEU B 162 -0.418 4.580 4.601 1.00 53.20 C ATOM 1012 O LEU B 162 -1.168 3.883 5.287 1.00 14.41 O ATOM 1013 CB LEU B 162 0.415 6.861 5.200 1.00 73.04 C ATOM 1014 CG LEU B 162 -0.787 7.321 6.024 1.00 43.44 C ATOM 1015 CD1 LEU B 162 -0.328 7.966 7.323 1.00 51.22 C ATOM 1016 CD2 LEU B 162 -1.646 8.288 5.221 1.00 44.11 C ATOM 0 H LEU B 162 2.355 5.873 4.026 1.00 20.31 H new ATOM 0 HA LEU B 162 0.819 5.046 6.280 1.00 41.15 H new ATOM 0 HB2 LEU B 162 1.296 7.402 5.546 1.00 73.04 H new ATOM 0 HB3 LEU B 162 0.250 7.150 4.162 1.00 73.04 H new ATOM 0 HG LEU B 162 -1.391 6.447 6.269 1.00 43.44 H new ATOM 0 HD11 LEU B 162 -1.197 8.287 7.897 1.00 51.22 H new ATOM 0 HD12 LEU B 162 0.244 7.244 7.905 1.00 51.22 H new ATOM 0 HD13 LEU B 162 0.298 8.830 7.099 1.00 51.22 H new ATOM 0 HD21 LEU B 162 -2.497 8.605 5.824 1.00 44.11 H new ATOM 0 HD22 LEU B 162 -1.052 9.159 4.945 1.00 44.11 H new ATOM 0 HD23 LEU B 162 -2.005 7.793 4.319 1.00 44.11 H new ATOM 1028 N LEU B 163 -0.544 4.697 3.284 1.00 41.43 N ATOM 1029 CA LEU B 163 -1.594 3.998 2.550 1.00 61.22 C ATOM 1030 C LEU B 163 -1.497 2.492 2.765 1.00 1.14 C ATOM 1031 O LEU B 163 -2.511 1.801 2.863 1.00 3.41 O ATOM 1032 CB LEU B 163 -1.500 4.319 1.057 1.00 72.44 C ATOM 1033 CG LEU B 163 -2.828 4.408 0.305 1.00 74.03 C ATOM 1034 CD1 LEU B 163 -3.571 3.084 0.375 1.00 32.34 C ATOM 1035 CD2 LEU B 163 -3.685 5.532 0.868 1.00 54.45 C ATOM 0 H LEU B 163 0.068 5.269 2.702 1.00 41.43 H new ATOM 0 HA LEU B 163 -2.557 4.339 2.929 1.00 61.22 H new ATOM 0 HB2 LEU B 163 -0.976 5.268 0.942 1.00 72.44 H new ATOM 0 HB3 LEU B 163 -0.886 3.556 0.580 1.00 72.44 H new ATOM 0 HG LEU B 163 -2.617 4.628 -0.741 1.00 74.03 H new ATOM 0 HD11 LEU B 163 -4.514 3.167 -0.166 1.00 32.34 H new ATOM 0 HD12 LEU B 163 -2.962 2.301 -0.076 1.00 32.34 H new ATOM 0 HD13 LEU B 163 -3.771 2.834 1.417 1.00 32.34 H new ATOM 0 HD21 LEU B 163 -4.626 5.581 0.321 1.00 54.45 H new ATOM 0 HD22 LEU B 163 -3.887 5.342 1.922 1.00 54.45 H new ATOM 0 HD23 LEU B 163 -3.156 6.479 0.765 1.00 54.45 H new ATOM 1047 N VAL B 164 -0.269 1.987 2.839 1.00 64.14 N ATOM 1048 CA VAL B 164 -0.040 0.562 3.047 1.00 72.44 C ATOM 1049 C VAL B 164 -0.598 0.105 4.390 1.00 64.41 C ATOM 1050 O VAL B 164 -1.464 -0.767 4.451 1.00 54.32 O ATOM 1051 CB VAL B 164 1.461 0.221 2.984 1.00 11.54 C ATOM 1052 CG1 VAL B 164 1.682 -1.264 3.231 1.00 44.42 C ATOM 1053 CG2 VAL B 164 2.046 0.638 1.643 1.00 23.02 C ATOM 0 H VAL B 164 0.582 2.544 2.758 1.00 64.14 H new ATOM 0 HA VAL B 164 -0.559 0.037 2.245 1.00 72.44 H new ATOM 0 HB VAL B 164 1.975 0.777 3.768 1.00 11.54 H new ATOM 0 HG11 VAL B 164 2.748 -1.486 3.183 1.00 44.42 H new ATOM 0 HG12 VAL B 164 1.300 -1.530 4.217 1.00 44.42 H new ATOM 0 HG13 VAL B 164 1.156 -1.842 2.471 1.00 44.42 H new ATOM 0 HG21 VAL B 164 3.107 0.390 1.616 1.00 23.02 H new ATOM 0 HG22 VAL B 164 1.529 0.111 0.841 1.00 23.02 H new ATOM 0 HG23 VAL B 164 1.921 1.713 1.510 1.00 23.02 H new ATOM 1063 N VAL B 165 -0.095 0.700 5.467 1.00 71.00 N ATOM 1064 CA VAL B 165 -0.544 0.356 6.811 1.00 71.42 C ATOM 1065 C VAL B 165 -2.063 0.418 6.915 1.00 52.41 C ATOM 1066 O VAL B 165 -2.698 -0.496 7.442 1.00 71.11 O ATOM 1067 CB VAL B 165 0.071 1.295 7.866 1.00 22.52 C ATOM 1068 CG1 VAL B 165 -0.432 0.938 9.256 1.00 1.14 C ATOM 1069 CG2 VAL B 165 1.590 1.237 7.809 1.00 74.02 C ATOM 0 H VAL B 165 0.624 1.423 5.435 1.00 71.00 H new ATOM 0 HA VAL B 165 -0.211 -0.664 7.005 1.00 71.42 H new ATOM 0 HB VAL B 165 -0.240 2.316 7.644 1.00 22.52 H new ATOM 0 HG11 VAL B 165 0.013 1.612 9.988 1.00 1.14 H new ATOM 0 HG12 VAL B 165 -1.517 1.035 9.286 1.00 1.14 H new ATOM 0 HG13 VAL B 165 -0.153 -0.089 9.491 1.00 1.14 H new ATOM 0 HG21 VAL B 165 2.008 1.906 8.561 1.00 74.02 H new ATOM 0 HG22 VAL B 165 1.923 0.218 8.005 1.00 74.02 H new ATOM 0 HG23 VAL B 165 1.929 1.545 6.820 1.00 74.02 H new ATOM 1079 N VAL B 166 -2.642 1.502 6.409 1.00 11.43 N ATOM 1080 CA VAL B 166 -4.089 1.684 6.443 1.00 73.50 C ATOM 1081 C VAL B 166 -4.804 0.520 5.767 1.00 32.11 C ATOM 1082 O VAL B 166 -5.852 0.068 6.230 1.00 2.23 O ATOM 1083 CB VAL B 166 -4.505 2.998 5.757 1.00 41.41 C ATOM 1084 CG1 VAL B 166 -6.019 3.155 5.778 1.00 34.42 C ATOM 1085 CG2 VAL B 166 -3.829 4.185 6.425 1.00 75.03 C ATOM 0 H VAL B 166 -2.131 2.268 5.970 1.00 11.43 H new ATOM 0 HA VAL B 166 -4.380 1.724 7.493 1.00 73.50 H new ATOM 0 HB VAL B 166 -4.181 2.963 4.717 1.00 41.41 H new ATOM 0 HG11 VAL B 166 -6.295 4.089 5.289 1.00 34.42 H new ATOM 0 HG12 VAL B 166 -6.479 2.320 5.250 1.00 34.42 H new ATOM 0 HG13 VAL B 166 -6.369 3.169 6.810 1.00 34.42 H new ATOM 0 HG21 VAL B 166 -4.135 5.105 5.927 1.00 75.03 H new ATOM 0 HG22 VAL B 166 -4.120 4.226 7.475 1.00 75.03 H new ATOM 0 HG23 VAL B 166 -2.747 4.075 6.353 1.00 75.03 H new ATOM 1095 N LEU B 167 -4.233 0.039 4.668 1.00 53.35 N ATOM 1096 CA LEU B 167 -4.816 -1.073 3.927 1.00 14.55 C ATOM 1097 C LEU B 167 -4.830 -2.343 4.771 1.00 22.31 C ATOM 1098 O LEU B 167 -5.857 -3.010 4.892 1.00 51.23 O ATOM 1099 CB LEU B 167 -4.035 -1.316 2.634 1.00 12.11 C ATOM 1100 CG LEU B 167 -4.838 -1.877 1.459 1.00 30.11 C ATOM 1101 CD1 LEU B 167 -5.456 -3.216 1.827 1.00 23.54 C ATOM 1102 CD2 LEU B 167 -5.914 -0.891 1.030 1.00 2.40 C ATOM 0 H LEU B 167 -3.367 0.402 4.271 1.00 53.35 H new ATOM 0 HA LEU B 167 -5.845 -0.812 3.680 1.00 14.55 H new ATOM 0 HB2 LEU B 167 -3.584 -0.374 2.323 1.00 12.11 H new ATOM 0 HB3 LEU B 167 -3.218 -2.004 2.851 1.00 12.11 H new ATOM 0 HG LEU B 167 -4.159 -2.031 0.620 1.00 30.11 H new ATOM 0 HD11 LEU B 167 -6.023 -3.600 0.979 1.00 23.54 H new ATOM 0 HD12 LEU B 167 -4.667 -3.922 2.085 1.00 23.54 H new ATOM 0 HD13 LEU B 167 -6.121 -3.087 2.681 1.00 23.54 H new ATOM 0 HD21 LEU B 167 -6.475 -1.306 0.193 1.00 2.40 H new ATOM 0 HD22 LEU B 167 -6.591 -0.705 1.864 1.00 2.40 H new ATOM 0 HD23 LEU B 167 -5.448 0.046 0.725 1.00 2.40 H new ATOM 1114 N GLY B 168 -3.682 -2.671 5.356 1.00 5.25 N ATOM 1115 CA GLY B 168 -3.584 -3.859 6.185 1.00 41.31 C ATOM 1116 C GLY B 168 -4.603 -3.868 7.308 1.00 15.34 C ATOM 1117 O GLY B 168 -5.249 -4.886 7.561 1.00 63.21 O ATOM 0 H GLY B 168 -2.818 -2.136 5.271 1.00 5.25 H new ATOM 0 HA2 GLY B 168 -3.724 -4.744 5.564 1.00 41.31 H new ATOM 0 HA3 GLY B 168 -2.581 -3.922 6.608 1.00 41.31 H new ATOM 1121 N VAL B 169 -4.747 -2.733 7.983 1.00 1.44 N ATOM 1122 CA VAL B 169 -5.694 -2.615 9.085 1.00 50.44 C ATOM 1123 C VAL B 169 -7.116 -2.911 8.623 1.00 11.44 C ATOM 1124 O VAL B 169 -7.833 -3.694 9.246 1.00 41.31 O ATOM 1125 CB VAL B 169 -5.653 -1.208 9.711 1.00 52.40 C ATOM 1126 CG1 VAL B 169 -6.689 -1.086 10.818 1.00 42.41 C ATOM 1127 CG2 VAL B 169 -4.260 -0.899 10.238 1.00 31.43 C ATOM 0 H VAL B 169 -4.220 -1.882 7.786 1.00 1.44 H new ATOM 0 HA VAL B 169 -5.399 -3.349 9.835 1.00 50.44 H new ATOM 0 HB VAL B 169 -5.894 -0.479 8.938 1.00 52.40 H new ATOM 0 HG11 VAL B 169 -6.645 -0.086 11.249 1.00 42.41 H new ATOM 0 HG12 VAL B 169 -7.683 -1.261 10.407 1.00 42.41 H new ATOM 0 HG13 VAL B 169 -6.482 -1.824 11.593 1.00 42.41 H new ATOM 0 HG21 VAL B 169 -4.250 0.099 10.677 1.00 31.43 H new ATOM 0 HG22 VAL B 169 -3.987 -1.632 10.997 1.00 31.43 H new ATOM 0 HG23 VAL B 169 -3.543 -0.942 9.418 1.00 31.43 H new ATOM 1137 N VAL B 170 -7.519 -2.282 7.523 1.00 15.43 N ATOM 1138 CA VAL B 170 -8.855 -2.480 6.974 1.00 52.14 C ATOM 1139 C VAL B 170 -9.097 -3.946 6.630 1.00 44.24 C ATOM 1140 O VAL B 170 -10.072 -4.547 7.081 1.00 24.42 O ATOM 1141 CB VAL B 170 -9.076 -1.625 5.713 1.00 14.05 C ATOM 1142 CG1 VAL B 170 -10.503 -1.778 5.207 1.00 52.14 C ATOM 1143 CG2 VAL B 170 -8.755 -0.165 5.995 1.00 50.22 C ATOM 0 H VAL B 170 -6.939 -1.631 6.995 1.00 15.43 H new ATOM 0 HA VAL B 170 -9.562 -2.169 7.743 1.00 52.14 H new ATOM 0 HB VAL B 170 -8.400 -1.977 4.934 1.00 14.05 H new ATOM 0 HG11 VAL B 170 -10.640 -1.166 4.315 1.00 52.14 H new ATOM 0 HG12 VAL B 170 -10.692 -2.823 4.963 1.00 52.14 H new ATOM 0 HG13 VAL B 170 -11.200 -1.454 5.980 1.00 52.14 H new ATOM 0 HG21 VAL B 170 -8.917 0.424 5.092 1.00 50.22 H new ATOM 0 HG22 VAL B 170 -9.404 0.203 6.790 1.00 50.22 H new ATOM 0 HG23 VAL B 170 -7.714 -0.075 6.305 1.00 50.22 H new ATOM 1153 N PHE B 171 -8.203 -4.515 5.830 1.00 22.42 N ATOM 1154 CA PHE B 171 -8.318 -5.911 5.425 1.00 63.34 C ATOM 1155 C PHE B 171 -8.475 -6.819 6.642 1.00 10.11 C ATOM 1156 O PHE B 171 -9.416 -7.608 6.724 1.00 41.24 O ATOM 1157 CB PHE B 171 -7.090 -6.333 4.616 1.00 14.32 C ATOM 1158 CG PHE B 171 -7.328 -7.537 3.750 1.00 62.44 C ATOM 1159 CD1 PHE B 171 -8.418 -7.589 2.896 1.00 62.20 C ATOM 1160 CD2 PHE B 171 -6.462 -8.618 3.790 1.00 75.35 C ATOM 1161 CE1 PHE B 171 -8.640 -8.696 2.098 1.00 62.14 C ATOM 1162 CE2 PHE B 171 -6.678 -9.727 2.994 1.00 74.33 C ATOM 1163 CZ PHE B 171 -7.768 -9.766 2.148 1.00 2.01 C ATOM 0 H PHE B 171 -7.390 -4.031 5.449 1.00 22.42 H new ATOM 0 HA PHE B 171 -9.207 -6.010 4.802 1.00 63.34 H new ATOM 0 HB2 PHE B 171 -6.775 -5.500 3.988 1.00 14.32 H new ATOM 0 HB3 PHE B 171 -6.269 -6.544 5.301 1.00 14.32 H new ATOM 0 HD1 PHE B 171 -9.102 -6.755 2.853 1.00 62.20 H new ATOM 0 HD2 PHE B 171 -5.608 -8.594 4.451 1.00 75.35 H new ATOM 0 HE1 PHE B 171 -9.494 -8.724 1.437 1.00 62.14 H new ATOM 0 HE2 PHE B 171 -5.995 -10.562 3.034 1.00 74.33 H new ATOM 0 HZ PHE B 171 -7.939 -10.632 1.526 1.00 2.01 H new ATOM 1173 N GLY B 172 -7.545 -6.701 7.585 1.00 51.41 N ATOM 1174 CA GLY B 172 -7.598 -7.517 8.785 1.00 14.12 C ATOM 1175 C GLY B 172 -8.943 -7.441 9.479 1.00 2.21 C ATOM 1176 O GLY B 172 -9.611 -8.459 9.664 1.00 42.22 O ATOM 0 H GLY B 172 -6.756 -6.056 7.540 1.00 51.41 H new ATOM 0 HA2 GLY B 172 -7.385 -8.554 8.525 1.00 14.12 H new ATOM 0 HA3 GLY B 172 -6.818 -7.194 9.475 1.00 14.12 H new ATOM 1180 N ILE B 173 -9.341 -6.234 9.864 1.00 44.32 N ATOM 1181 CA ILE B 173 -10.615 -6.030 10.543 1.00 64.20 C ATOM 1182 C ILE B 173 -11.776 -6.549 9.701 1.00 73.00 C ATOM 1183 O ILE B 173 -12.720 -7.143 10.224 1.00 52.23 O ATOM 1184 CB ILE B 173 -10.852 -4.542 10.861 1.00 14.50 C ATOM 1185 CG1 ILE B 173 -9.722 -3.999 11.738 1.00 74.34 C ATOM 1186 CG2 ILE B 173 -12.198 -4.354 11.545 1.00 61.54 C ATOM 1187 CD1 ILE B 173 -9.710 -2.489 11.842 1.00 3.14 C ATOM 0 H ILE B 173 -8.800 -5.382 9.718 1.00 44.32 H new ATOM 0 HA ILE B 173 -10.567 -6.590 11.477 1.00 64.20 H new ATOM 0 HB ILE B 173 -10.861 -3.983 9.925 1.00 14.50 H new ATOM 0 HG12 ILE B 173 -9.813 -4.423 12.738 1.00 74.34 H new ATOM 0 HG13 ILE B 173 -8.767 -4.335 11.335 1.00 74.34 H new ATOM 0 HG21 ILE B 173 -12.351 -3.297 11.763 1.00 61.54 H new ATOM 0 HG22 ILE B 173 -12.993 -4.707 10.888 1.00 61.54 H new ATOM 0 HG23 ILE B 173 -12.216 -4.923 12.475 1.00 61.54 H new ATOM 0 HD11 ILE B 173 -8.883 -2.175 12.479 1.00 3.14 H new ATOM 0 HD12 ILE B 173 -9.588 -2.057 10.849 1.00 3.14 H new ATOM 0 HD13 ILE B 173 -10.651 -2.147 12.274 1.00 3.14 H new ATOM 1199 N LEU B 174 -11.698 -6.324 8.394 1.00 12.21 N ATOM 1200 CA LEU B 174 -12.741 -6.771 7.478 1.00 14.23 C ATOM 1201 C LEU B 174 -12.934 -8.281 7.567 1.00 2.42 C ATOM 1202 O LEU B 174 -14.018 -8.760 7.900 1.00 4.40 O ATOM 1203 CB LEU B 174 -12.391 -6.374 6.042 1.00 22.30 C ATOM 1204 CG LEU B 174 -12.737 -4.940 5.639 1.00 42.01 C ATOM 1205 CD1 LEU B 174 -12.291 -4.664 4.212 1.00 20.45 C ATOM 1206 CD2 LEU B 174 -14.230 -4.690 5.790 1.00 10.22 C ATOM 0 H LEU B 174 -10.924 -5.835 7.945 1.00 12.21 H new ATOM 0 HA LEU B 174 -13.674 -6.287 7.765 1.00 14.23 H new ATOM 0 HB2 LEU B 174 -11.321 -6.523 5.895 1.00 22.30 H new ATOM 0 HB3 LEU B 174 -12.904 -7.055 5.363 1.00 22.30 H new ATOM 0 HG LEU B 174 -12.205 -4.258 6.302 1.00 42.01 H new ATOM 0 HD11 LEU B 174 -12.546 -3.639 3.943 1.00 20.45 H new ATOM 0 HD12 LEU B 174 -11.213 -4.802 4.135 1.00 20.45 H new ATOM 0 HD13 LEU B 174 -12.795 -5.353 3.534 1.00 20.45 H new ATOM 0 HD21 LEU B 174 -14.458 -3.665 5.499 1.00 10.22 H new ATOM 0 HD22 LEU B 174 -14.781 -5.380 5.151 1.00 10.22 H new ATOM 0 HD23 LEU B 174 -14.522 -4.846 6.829 1.00 10.22 H new ATOM 1218 N ILE B 175 -11.875 -9.026 7.269 1.00 14.34 N ATOM 1219 CA ILE B 175 -11.927 -10.482 7.318 1.00 3.32 C ATOM 1220 C ILE B 175 -12.461 -10.968 8.661 1.00 61.14 C ATOM 1221 O ILE B 175 -13.167 -11.973 8.736 1.00 11.32 O ATOM 1222 CB ILE B 175 -10.539 -11.104 7.076 1.00 14.11 C ATOM 1223 CG1 ILE B 175 -9.989 -10.662 5.718 1.00 32.32 C ATOM 1224 CG2 ILE B 175 -10.618 -12.621 7.152 1.00 1.32 C ATOM 1225 CD1 ILE B 175 -8.532 -11.014 5.513 1.00 31.12 C ATOM 0 H ILE B 175 -10.970 -8.645 6.991 1.00 14.34 H new ATOM 0 HA ILE B 175 -12.602 -10.800 6.524 1.00 3.32 H new ATOM 0 HB ILE B 175 -9.860 -10.755 7.854 1.00 14.11 H new ATOM 0 HG12 ILE B 175 -10.581 -11.124 4.928 1.00 32.32 H new ATOM 0 HG13 ILE B 175 -10.111 -9.583 5.619 1.00 32.32 H new ATOM 0 HG21 ILE B 175 -9.629 -13.046 6.979 1.00 1.32 H new ATOM 0 HG22 ILE B 175 -10.973 -12.918 8.139 1.00 1.32 H new ATOM 0 HG23 ILE B 175 -11.309 -12.988 6.393 1.00 1.32 H new ATOM 0 HD11 ILE B 175 -8.210 -10.671 4.530 1.00 31.12 H new ATOM 0 HD12 ILE B 175 -7.929 -10.530 6.282 1.00 31.12 H new ATOM 0 HD13 ILE B 175 -8.406 -12.095 5.579 1.00 31.12 H new ATOM 1237 N LYS B 176 -12.121 -10.245 9.723 1.00 51.14 N ATOM 1238 CA LYS B 176 -12.568 -10.598 11.065 1.00 41.02 C ATOM 1239 C LYS B 176 -14.074 -10.400 11.207 1.00 30.43 C ATOM 1240 O LYS B 176 -14.796 -11.318 11.596 1.00 14.52 O ATOM 1241 CB LYS B 176 -11.832 -9.754 12.109 1.00 12.22 C ATOM 1242 CG LYS B 176 -10.382 -10.162 12.307 1.00 50.50 C ATOM 1243 CD LYS B 176 -9.590 -9.077 13.019 1.00 13.32 C ATOM 1244 CE LYS B 176 -8.789 -9.643 14.181 1.00 11.05 C ATOM 1245 NZ LYS B 176 -7.701 -8.721 14.606 1.00 44.13 N ATOM 0 H LYS B 176 -11.537 -9.410 9.680 1.00 51.14 H new ATOM 0 HA LYS B 176 -12.340 -11.651 11.231 1.00 41.02 H new ATOM 0 HB2 LYS B 176 -11.869 -8.707 11.809 1.00 12.22 H new ATOM 0 HB3 LYS B 176 -12.356 -9.831 13.062 1.00 12.22 H new ATOM 0 HG2 LYS B 176 -10.338 -11.085 12.886 1.00 50.50 H new ATOM 0 HG3 LYS B 176 -9.926 -10.371 11.339 1.00 50.50 H new ATOM 0 HD2 LYS B 176 -8.916 -8.594 12.312 1.00 13.32 H new ATOM 0 HD3 LYS B 176 -10.271 -8.309 13.385 1.00 13.32 H new ATOM 0 HE2 LYS B 176 -9.455 -9.832 15.023 1.00 11.05 H new ATOM 0 HE3 LYS B 176 -8.360 -10.603 13.893 1.00 11.05 H new ATOM 0 HZ1 LYS B 176 -7.179 -9.143 15.400 1.00 44.13 H new ATOM 0 HZ2 LYS B 176 -7.051 -8.561 13.810 1.00 44.13 H new ATOM 0 HZ3 LYS B 176 -8.112 -7.814 14.905 1.00 44.13 H new ATOM 1259 N ARG B 177 -14.541 -9.198 10.889 1.00 53.34 N ATOM 1260 CA ARG B 177 -15.961 -8.880 10.980 1.00 55.12 C ATOM 1261 C ARG B 177 -16.785 -9.813 10.097 1.00 74.20 C ATOM 1262 O ARG B 177 -17.903 -10.189 10.448 1.00 3.01 O ATOM 1263 CB ARG B 177 -16.208 -7.425 10.574 1.00 24.31 C ATOM 1264 CG ARG B 177 -15.961 -6.430 11.696 1.00 31.15 C ATOM 1265 CD ARG B 177 -17.084 -6.456 12.721 1.00 11.15 C ATOM 1266 NE ARG B 177 -16.617 -6.895 14.033 1.00 63.03 N ATOM 1267 CZ ARG B 177 -17.284 -6.675 15.161 1.00 20.41 C ATOM 1268 NH1 ARG B 177 -18.439 -6.026 15.137 1.00 44.31 N ATOM 1269 NH2 ARG B 177 -16.793 -7.105 16.318 1.00 14.54 N ATOM 0 H ARG B 177 -13.956 -8.427 10.566 1.00 53.34 H new ATOM 0 HA ARG B 177 -16.272 -9.018 12.015 1.00 55.12 H new ATOM 0 HB2 ARG B 177 -15.563 -7.177 9.731 1.00 24.31 H new ATOM 0 HB3 ARG B 177 -17.237 -7.323 10.229 1.00 24.31 H new ATOM 0 HG2 ARG B 177 -15.015 -6.660 12.186 1.00 31.15 H new ATOM 0 HG3 ARG B 177 -15.870 -5.427 11.280 1.00 31.15 H new ATOM 0 HD2 ARG B 177 -17.520 -5.461 12.806 1.00 11.15 H new ATOM 0 HD3 ARG B 177 -17.875 -7.122 12.376 1.00 11.15 H new ATOM 0 HE ARG B 177 -15.731 -7.398 14.086 1.00 63.03 H new ATOM 0 HH11 ARG B 177 -18.819 -5.694 14.251 1.00 44.31 H new ATOM 0 HH12 ARG B 177 -18.948 -5.859 16.005 1.00 44.31 H new ATOM 0 HH21 ARG B 177 -15.904 -7.604 16.341 1.00 14.54 H new ATOM 0 HH22 ARG B 177 -17.305 -6.936 17.184 1.00 14.54 H new