USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 444 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00597 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -42:sc= 1.15 USER MOD Single : B 152 THR OG1 : rot 180:sc= 0.0107 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 2.845 21.980 -4.782 1.00 1.21 N ATOM 121 CA PRO A 50 1.800 21.215 -5.467 1.00 32.24 C ATOM 122 C PRO A 50 2.340 19.943 -6.112 1.00 22.11 C ATOM 123 O PRO A 50 1.763 18.865 -5.963 1.00 52.45 O ATOM 124 CB PRO A 50 1.296 22.185 -6.540 1.00 61.23 C ATOM 125 CG PRO A 50 2.444 23.100 -6.792 1.00 42.14 C ATOM 126 CD PRO A 50 3.158 23.241 -5.476 1.00 44.00 C ATOM 0 HA PRO A 50 1.025 20.878 -4.779 1.00 32.24 H new ATOM 0 HB2 PRO A 50 1.005 21.656 -7.447 1.00 61.23 H new ATOM 0 HB3 PRO A 50 0.420 22.735 -6.197 1.00 61.23 H new ATOM 0 HG2 PRO A 50 3.108 22.692 -7.554 1.00 42.14 H new ATOM 0 HG3 PRO A 50 2.099 24.068 -7.154 1.00 42.14 H new ATOM 0 HD2 PRO A 50 4.232 23.369 -5.613 1.00 44.00 H new ATOM 0 HD3 PRO A 50 2.803 24.107 -4.917 1.00 44.00 H new ATOM 134 N LEU A 51 3.452 20.075 -6.828 1.00 1.33 N ATOM 135 CA LEU A 51 4.071 18.935 -7.496 1.00 23.31 C ATOM 136 C LEU A 51 4.362 17.815 -6.502 1.00 23.53 C ATOM 137 O LEU A 51 4.424 16.642 -6.872 1.00 20.41 O ATOM 138 CB LEU A 51 5.365 19.366 -8.188 1.00 33.11 C ATOM 139 CG LEU A 51 5.291 20.658 -9.004 1.00 1.24 C ATOM 140 CD1 LEU A 51 6.318 21.662 -8.505 1.00 60.32 C ATOM 141 CD2 LEU A 51 5.500 20.368 -10.483 1.00 71.30 C ATOM 0 H LEU A 51 3.943 20.959 -6.961 1.00 1.33 H new ATOM 0 HA LEU A 51 3.373 18.560 -8.245 1.00 23.31 H new ATOM 0 HB2 LEU A 51 6.138 19.483 -7.429 1.00 33.11 H new ATOM 0 HB3 LEU A 51 5.686 18.560 -8.848 1.00 33.11 H new ATOM 0 HG LEU A 51 4.298 21.090 -8.877 1.00 1.24 H new ATOM 0 HD11 LEU A 51 6.251 22.575 -9.097 1.00 60.32 H new ATOM 0 HD12 LEU A 51 6.122 21.893 -7.458 1.00 60.32 H new ATOM 0 HD13 LEU A 51 7.318 21.239 -8.602 1.00 60.32 H new ATOM 0 HD21 LEU A 51 5.444 21.299 -11.048 1.00 71.30 H new ATOM 0 HD22 LEU A 51 6.480 19.913 -10.630 1.00 71.30 H new ATOM 0 HD23 LEU A 51 4.726 19.684 -10.833 1.00 71.30 H new ATOM 153 N THR A 52 4.539 18.183 -5.237 1.00 52.01 N ATOM 154 CA THR A 52 4.823 17.210 -4.189 1.00 11.45 C ATOM 155 C THR A 52 3.671 16.223 -4.030 1.00 32.30 C ATOM 156 O THR A 52 3.883 15.058 -3.695 1.00 2.05 O ATOM 157 CB THR A 52 5.082 17.900 -2.837 1.00 43.03 C ATOM 158 OG1 THR A 52 5.851 19.092 -3.035 1.00 42.32 O ATOM 159 CG2 THR A 52 5.818 16.968 -1.886 1.00 35.33 C ATOM 0 H THR A 52 4.491 19.149 -4.913 1.00 52.01 H new ATOM 0 HA THR A 52 5.721 16.672 -4.492 1.00 11.45 H new ATOM 0 HB THR A 52 4.119 18.158 -2.395 1.00 43.03 H new ATOM 0 HG1 THR A 52 6.010 19.526 -2.171 1.00 42.32 H new ATOM 0 HG21 THR A 52 5.990 17.477 -0.938 1.00 35.33 H new ATOM 0 HG22 THR A 52 5.217 16.075 -1.715 1.00 35.33 H new ATOM 0 HG23 THR A 52 6.775 16.683 -2.323 1.00 35.33 H new ATOM 167 N SER A 53 2.454 16.697 -4.273 1.00 20.34 N ATOM 168 CA SER A 53 1.269 15.855 -4.153 1.00 14.22 C ATOM 169 C SER A 53 1.251 14.785 -5.241 1.00 3.54 C ATOM 170 O SER A 53 1.208 13.589 -4.948 1.00 31.11 O ATOM 171 CB SER A 53 0.001 16.707 -4.241 1.00 41.24 C ATOM 172 OG SER A 53 -0.993 16.236 -3.349 1.00 2.22 O ATOM 0 H SER A 53 2.262 17.659 -4.554 1.00 20.34 H new ATOM 0 HA SER A 53 1.301 15.362 -3.182 1.00 14.22 H new ATOM 0 HB2 SER A 53 0.240 17.745 -4.009 1.00 41.24 H new ATOM 0 HB3 SER A 53 -0.383 16.689 -5.261 1.00 41.24 H new ATOM 0 HG SER A 53 -1.792 16.798 -3.423 1.00 2.22 H new ATOM 178 N ILE A 54 1.284 15.222 -6.494 1.00 52.51 N ATOM 179 CA ILE A 54 1.272 14.303 -7.625 1.00 2.11 C ATOM 180 C ILE A 54 2.348 13.233 -7.474 1.00 4.24 C ATOM 181 O ILE A 54 2.097 12.050 -7.707 1.00 35.41 O ATOM 182 CB ILE A 54 1.487 15.046 -8.957 1.00 64.11 C ATOM 183 CG1 ILE A 54 0.401 16.104 -9.156 1.00 55.11 C ATOM 184 CG2 ILE A 54 1.493 14.061 -10.117 1.00 33.31 C ATOM 185 CD1 ILE A 54 0.922 17.524 -9.097 1.00 24.23 C ATOM 0 H ILE A 54 1.319 16.208 -6.753 1.00 52.51 H new ATOM 0 HA ILE A 54 0.290 13.830 -7.637 1.00 2.11 H new ATOM 0 HB ILE A 54 2.455 15.547 -8.925 1.00 64.11 H new ATOM 0 HG12 ILE A 54 -0.080 15.942 -10.120 1.00 55.11 H new ATOM 0 HG13 ILE A 54 -0.365 15.975 -8.392 1.00 55.11 H new ATOM 0 HG21 ILE A 54 1.646 14.601 -11.052 1.00 33.31 H new ATOM 0 HG22 ILE A 54 2.299 13.340 -9.978 1.00 33.31 H new ATOM 0 HG23 ILE A 54 0.539 13.536 -10.153 1.00 33.31 H new ATOM 0 HD11 ILE A 54 0.097 18.221 -9.246 1.00 24.23 H new ATOM 0 HD12 ILE A 54 1.378 17.704 -8.123 1.00 24.23 H new ATOM 0 HD13 ILE A 54 1.667 17.671 -9.879 1.00 24.23 H new ATOM 197 N ILE A 55 3.544 13.655 -7.080 1.00 45.34 N ATOM 198 CA ILE A 55 4.657 12.733 -6.894 1.00 61.10 C ATOM 199 C ILE A 55 4.400 11.789 -5.724 1.00 11.30 C ATOM 200 O ILE A 55 4.629 10.584 -5.823 1.00 70.43 O ATOM 201 CB ILE A 55 5.978 13.486 -6.650 1.00 21.04 C ATOM 202 CG1 ILE A 55 6.282 14.419 -7.823 1.00 32.43 C ATOM 203 CG2 ILE A 55 7.118 12.500 -6.440 1.00 53.45 C ATOM 204 CD1 ILE A 55 7.349 15.447 -7.517 1.00 20.11 C ATOM 0 H ILE A 55 3.767 14.631 -6.883 1.00 45.34 H new ATOM 0 HA ILE A 55 4.743 12.154 -7.813 1.00 61.10 H new ATOM 0 HB ILE A 55 5.875 14.089 -5.748 1.00 21.04 H new ATOM 0 HG12 ILE A 55 6.598 13.822 -8.679 1.00 32.43 H new ATOM 0 HG13 ILE A 55 5.366 14.933 -8.114 1.00 32.43 H new ATOM 0 HG21 ILE A 55 8.045 13.047 -6.269 1.00 53.45 H new ATOM 0 HG22 ILE A 55 6.902 11.873 -5.575 1.00 53.45 H new ATOM 0 HG23 ILE A 55 7.225 11.873 -7.325 1.00 53.45 H new ATOM 0 HD11 ILE A 55 7.513 16.074 -8.394 1.00 20.11 H new ATOM 0 HD12 ILE A 55 7.026 16.069 -6.682 1.00 20.11 H new ATOM 0 HD13 ILE A 55 8.278 14.940 -7.255 1.00 20.11 H new ATOM 216 N SER A 56 3.919 12.345 -4.617 1.00 42.21 N ATOM 217 CA SER A 56 3.631 11.554 -3.426 1.00 2.11 C ATOM 218 C SER A 56 2.566 10.501 -3.718 1.00 40.04 C ATOM 219 O SER A 56 2.674 9.355 -3.281 1.00 50.52 O ATOM 220 CB SER A 56 3.168 12.461 -2.285 1.00 51.14 C ATOM 221 OG SER A 56 1.855 12.941 -2.515 1.00 63.30 O ATOM 0 H SER A 56 3.720 13.341 -4.520 1.00 42.21 H new ATOM 0 HA SER A 56 4.548 11.046 -3.127 1.00 2.11 H new ATOM 0 HB2 SER A 56 3.198 11.911 -1.344 1.00 51.14 H new ATOM 0 HB3 SER A 56 3.854 13.302 -2.184 1.00 51.14 H new ATOM 0 HG SER A 56 1.759 13.193 -3.457 1.00 63.30 H new ATOM 227 N ALA A 57 1.538 10.899 -4.461 1.00 5.01 N ATOM 228 CA ALA A 57 0.455 9.989 -4.813 1.00 53.43 C ATOM 229 C ALA A 57 0.961 8.842 -5.680 1.00 53.31 C ATOM 230 O ALA A 57 0.654 7.677 -5.427 1.00 3.50 O ATOM 231 CB ALA A 57 -0.656 10.745 -5.528 1.00 73.53 C ATOM 0 H ALA A 57 1.433 11.844 -4.830 1.00 5.01 H new ATOM 0 HA ALA A 57 0.056 9.563 -3.892 1.00 53.43 H new ATOM 0 HB1 ALA A 57 -1.459 10.054 -5.786 1.00 73.53 H new ATOM 0 HB2 ALA A 57 -1.045 11.525 -4.874 1.00 73.53 H new ATOM 0 HB3 ALA A 57 -0.261 11.198 -6.438 1.00 73.53 H new ATOM 237 N VAL A 58 1.736 9.179 -6.705 1.00 71.45 N ATOM 238 CA VAL A 58 2.286 8.176 -7.610 1.00 32.32 C ATOM 239 C VAL A 58 3.061 7.110 -6.844 1.00 34.33 C ATOM 240 O VAL A 58 2.912 5.915 -7.100 1.00 43.42 O ATOM 241 CB VAL A 58 3.215 8.815 -8.660 1.00 52.12 C ATOM 242 CG1 VAL A 58 3.852 7.745 -9.532 1.00 71.32 C ATOM 243 CG2 VAL A 58 2.448 9.819 -9.508 1.00 74.23 C ATOM 0 H VAL A 58 1.998 10.139 -6.930 1.00 71.45 H new ATOM 0 HA VAL A 58 1.441 7.712 -8.118 1.00 32.32 H new ATOM 0 HB VAL A 58 4.012 9.346 -8.140 1.00 52.12 H new ATOM 0 HG11 VAL A 58 4.505 8.216 -10.267 1.00 71.32 H new ATOM 0 HG12 VAL A 58 4.436 7.068 -8.909 1.00 71.32 H new ATOM 0 HG13 VAL A 58 3.072 7.183 -10.046 1.00 71.32 H new ATOM 0 HG21 VAL A 58 3.119 10.261 -10.245 1.00 74.23 H new ATOM 0 HG22 VAL A 58 1.630 9.313 -10.020 1.00 74.23 H new ATOM 0 HG23 VAL A 58 2.045 10.603 -8.868 1.00 74.23 H new ATOM 253 N VAL A 59 3.890 7.550 -5.903 1.00 10.43 N ATOM 254 CA VAL A 59 4.688 6.634 -5.098 1.00 45.35 C ATOM 255 C VAL A 59 3.799 5.676 -4.312 1.00 32.32 C ATOM 256 O VAL A 59 4.018 4.465 -4.317 1.00 24.21 O ATOM 257 CB VAL A 59 5.596 7.396 -4.114 1.00 34.12 C ATOM 258 CG1 VAL A 59 6.357 6.424 -3.226 1.00 0.15 C ATOM 259 CG2 VAL A 59 6.556 8.302 -4.870 1.00 71.42 C ATOM 0 H VAL A 59 4.026 8.536 -5.680 1.00 10.43 H new ATOM 0 HA VAL A 59 5.310 6.065 -5.789 1.00 45.35 H new ATOM 0 HB VAL A 59 4.969 8.019 -3.476 1.00 34.12 H new ATOM 0 HG11 VAL A 59 6.993 6.981 -2.538 1.00 0.15 H new ATOM 0 HG12 VAL A 59 5.650 5.820 -2.658 1.00 0.15 H new ATOM 0 HG13 VAL A 59 6.975 5.773 -3.845 1.00 0.15 H new ATOM 0 HG21 VAL A 59 7.190 8.833 -4.160 1.00 71.42 H new ATOM 0 HG22 VAL A 59 7.178 7.701 -5.533 1.00 71.42 H new ATOM 0 HG23 VAL A 59 5.989 9.022 -5.459 1.00 71.42 H new ATOM 269 N GLY A 60 2.794 6.227 -3.639 1.00 65.32 N ATOM 270 CA GLY A 60 1.887 5.406 -2.858 1.00 41.11 C ATOM 271 C GLY A 60 1.164 4.377 -3.703 1.00 4.44 C ATOM 272 O GLY A 60 1.107 3.200 -3.344 1.00 1.35 O ATOM 0 H GLY A 60 2.592 7.227 -3.620 1.00 65.32 H new ATOM 0 HA2 GLY A 60 2.447 4.898 -2.072 1.00 41.11 H new ATOM 0 HA3 GLY A 60 1.155 6.046 -2.365 1.00 41.11 H new ATOM 276 N ILE A 61 0.610 4.819 -4.827 1.00 1.32 N ATOM 277 CA ILE A 61 -0.113 3.926 -5.724 1.00 13.05 C ATOM 278 C ILE A 61 0.809 2.850 -6.289 1.00 31.14 C ATOM 279 O ILE A 61 0.389 1.714 -6.515 1.00 13.22 O ATOM 280 CB ILE A 61 -0.756 4.700 -6.890 1.00 73.13 C ATOM 281 CG1 ILE A 61 -1.712 5.769 -6.357 1.00 64.24 C ATOM 282 CG2 ILE A 61 -1.488 3.744 -7.821 1.00 74.22 C ATOM 283 CD1 ILE A 61 -2.183 6.740 -7.416 1.00 45.41 C ATOM 0 H ILE A 61 0.648 5.790 -5.138 1.00 1.32 H new ATOM 0 HA ILE A 61 -0.899 3.454 -5.135 1.00 13.05 H new ATOM 0 HB ILE A 61 0.033 5.195 -7.456 1.00 73.13 H new ATOM 0 HG12 ILE A 61 -2.579 5.280 -5.912 1.00 64.24 H new ATOM 0 HG13 ILE A 61 -1.216 6.324 -5.561 1.00 64.24 H new ATOM 0 HG21 ILE A 61 -1.937 4.306 -8.640 1.00 74.22 H new ATOM 0 HG22 ILE A 61 -0.783 3.017 -8.224 1.00 74.22 H new ATOM 0 HG23 ILE A 61 -2.269 3.223 -7.267 1.00 74.22 H new ATOM 0 HD11 ILE A 61 -2.857 7.469 -6.967 1.00 45.41 H new ATOM 0 HD12 ILE A 61 -1.324 7.256 -7.845 1.00 45.41 H new ATOM 0 HD13 ILE A 61 -2.708 6.196 -8.201 1.00 45.41 H new ATOM 295 N LEU A 62 2.066 3.215 -6.514 1.00 21.54 N ATOM 296 CA LEU A 62 3.049 2.280 -7.051 1.00 23.33 C ATOM 297 C LEU A 62 3.402 1.210 -6.023 1.00 43.12 C ATOM 298 O LEU A 62 3.401 0.016 -6.327 1.00 42.02 O ATOM 299 CB LEU A 62 4.312 3.028 -7.480 1.00 42.21 C ATOM 300 CG LEU A 62 5.250 2.275 -8.424 1.00 74.03 C ATOM 301 CD1 LEU A 62 5.078 2.768 -9.853 1.00 63.04 C ATOM 302 CD2 LEU A 62 6.696 2.430 -7.975 1.00 21.21 C ATOM 0 H LEU A 62 2.429 4.151 -6.333 1.00 21.54 H new ATOM 0 HA LEU A 62 2.611 1.791 -7.921 1.00 23.33 H new ATOM 0 HB2 LEU A 62 4.013 3.958 -7.963 1.00 42.21 H new ATOM 0 HB3 LEU A 62 4.871 3.299 -6.585 1.00 42.21 H new ATOM 0 HG LEU A 62 4.992 1.216 -8.393 1.00 74.03 H new ATOM 0 HD11 LEU A 62 5.754 2.221 -10.510 1.00 63.04 H new ATOM 0 HD12 LEU A 62 4.049 2.605 -10.173 1.00 63.04 H new ATOM 0 HD13 LEU A 62 5.308 3.832 -9.901 1.00 63.04 H new ATOM 0 HD21 LEU A 62 7.349 1.888 -8.658 1.00 21.21 H new ATOM 0 HD22 LEU A 62 6.966 3.486 -7.976 1.00 21.21 H new ATOM 0 HD23 LEU A 62 6.810 2.028 -6.968 1.00 21.21 H new ATOM 314 N LEU A 63 3.702 1.645 -4.804 1.00 53.20 N ATOM 315 CA LEU A 63 4.055 0.724 -3.729 1.00 43.53 C ATOM 316 C LEU A 63 2.936 -0.283 -3.484 1.00 12.21 C ATOM 317 O LEU A 63 3.190 -1.452 -3.194 1.00 52.14 O ATOM 318 CB LEU A 63 4.347 1.500 -2.443 1.00 45.32 C ATOM 319 CG LEU A 63 5.445 0.925 -1.547 1.00 5.23 C ATOM 320 CD1 LEU A 63 5.093 -0.490 -1.113 1.00 3.23 C ATOM 321 CD2 LEU A 63 6.785 0.945 -2.265 1.00 34.44 C ATOM 0 H LEU A 63 3.708 2.629 -4.535 1.00 53.20 H new ATOM 0 HA LEU A 63 4.950 0.179 -4.030 1.00 43.53 H new ATOM 0 HB2 LEU A 63 4.622 2.520 -2.712 1.00 45.32 H new ATOM 0 HB3 LEU A 63 3.427 1.561 -1.862 1.00 45.32 H new ATOM 0 HG LEU A 63 5.523 1.548 -0.656 1.00 5.23 H new ATOM 0 HD11 LEU A 63 5.886 -0.883 -0.476 1.00 3.23 H new ATOM 0 HD12 LEU A 63 4.155 -0.478 -0.559 1.00 3.23 H new ATOM 0 HD13 LEU A 63 4.986 -1.125 -1.993 1.00 3.23 H new ATOM 0 HD21 LEU A 63 7.554 0.532 -1.612 1.00 34.44 H new ATOM 0 HD22 LEU A 63 6.720 0.346 -3.173 1.00 34.44 H new ATOM 0 HD23 LEU A 63 7.043 1.972 -2.525 1.00 34.44 H new ATOM 333 N VAL A 64 1.694 0.178 -3.607 1.00 42.03 N ATOM 334 CA VAL A 64 0.536 -0.684 -3.403 1.00 34.12 C ATOM 335 C VAL A 64 0.470 -1.776 -4.465 1.00 43.11 C ATOM 336 O VAL A 64 0.468 -2.966 -4.147 1.00 52.24 O ATOM 337 CB VAL A 64 -0.775 0.123 -3.432 1.00 43.34 C ATOM 338 CG1 VAL A 64 -1.973 -0.796 -3.250 1.00 64.13 C ATOM 339 CG2 VAL A 64 -0.757 1.206 -2.362 1.00 12.15 C ATOM 0 H VAL A 64 1.465 1.143 -3.847 1.00 42.03 H new ATOM 0 HA VAL A 64 0.651 -1.142 -2.421 1.00 34.12 H new ATOM 0 HB VAL A 64 -0.862 0.606 -4.405 1.00 43.34 H new ATOM 0 HG11 VAL A 64 -2.890 -0.207 -3.273 1.00 64.13 H new ATOM 0 HG12 VAL A 64 -1.993 -1.531 -4.055 1.00 64.13 H new ATOM 0 HG13 VAL A 64 -1.896 -1.309 -2.291 1.00 64.13 H new ATOM 0 HG21 VAL A 64 -1.691 1.767 -2.396 1.00 12.15 H new ATOM 0 HG22 VAL A 64 -0.646 0.746 -1.380 1.00 12.15 H new ATOM 0 HG23 VAL A 64 0.079 1.882 -2.542 1.00 12.15 H new ATOM 349 N VAL A 65 0.417 -1.364 -5.727 1.00 34.12 N ATOM 350 CA VAL A 65 0.353 -2.308 -6.837 1.00 52.32 C ATOM 351 C VAL A 65 1.470 -3.341 -6.745 1.00 2.33 C ATOM 352 O VAL A 65 1.236 -4.540 -6.900 1.00 61.11 O ATOM 353 CB VAL A 65 0.446 -1.586 -8.194 1.00 50.34 C ATOM 354 CG1 VAL A 65 0.398 -2.588 -9.337 1.00 55.32 C ATOM 355 CG2 VAL A 65 -0.666 -0.557 -8.328 1.00 30.22 C ATOM 0 H VAL A 65 0.417 -0.383 -6.007 1.00 34.12 H new ATOM 0 HA VAL A 65 -0.611 -2.813 -6.768 1.00 52.32 H new ATOM 0 HB VAL A 65 1.401 -1.063 -8.242 1.00 50.34 H new ATOM 0 HG11 VAL A 65 0.465 -2.059 -10.288 1.00 55.32 H new ATOM 0 HG12 VAL A 65 1.234 -3.282 -9.248 1.00 55.32 H new ATOM 0 HG13 VAL A 65 -0.539 -3.143 -9.296 1.00 55.32 H new ATOM 0 HG21 VAL A 65 -0.584 -0.057 -9.293 1.00 30.22 H new ATOM 0 HG22 VAL A 65 -1.633 -1.055 -8.258 1.00 30.22 H new ATOM 0 HG23 VAL A 65 -0.579 0.179 -7.529 1.00 30.22 H new ATOM 365 N VAL A 66 2.686 -2.868 -6.492 1.00 30.50 N ATOM 366 CA VAL A 66 3.841 -3.751 -6.378 1.00 43.41 C ATOM 367 C VAL A 66 3.626 -4.799 -5.291 1.00 34.12 C ATOM 368 O VAL A 66 3.963 -5.970 -5.468 1.00 32.34 O ATOM 369 CB VAL A 66 5.124 -2.959 -6.065 1.00 72.00 C ATOM 370 CG1 VAL A 66 6.309 -3.900 -5.912 1.00 64.34 C ATOM 371 CG2 VAL A 66 5.391 -1.926 -7.150 1.00 2.21 C ATOM 0 H VAL A 66 2.897 -1.879 -6.362 1.00 30.50 H new ATOM 0 HA VAL A 66 3.956 -4.248 -7.341 1.00 43.41 H new ATOM 0 HB VAL A 66 4.983 -2.433 -5.121 1.00 72.00 H new ATOM 0 HG11 VAL A 66 7.206 -3.322 -5.691 1.00 64.34 H new ATOM 0 HG12 VAL A 66 6.117 -4.598 -5.097 1.00 64.34 H new ATOM 0 HG13 VAL A 66 6.454 -4.456 -6.838 1.00 64.34 H new ATOM 0 HG21 VAL A 66 6.301 -1.376 -6.912 1.00 2.21 H new ATOM 0 HG22 VAL A 66 5.511 -2.429 -8.110 1.00 2.21 H new ATOM 0 HG23 VAL A 66 4.552 -1.232 -7.206 1.00 2.21 H new ATOM 381 N LEU A 67 3.063 -4.372 -4.168 1.00 52.53 N ATOM 382 CA LEU A 67 2.801 -5.273 -3.051 1.00 64.23 C ATOM 383 C LEU A 67 1.849 -6.390 -3.465 1.00 3.11 C ATOM 384 O LEU A 67 2.085 -7.562 -3.171 1.00 55.15 O ATOM 385 CB LEU A 67 2.214 -4.497 -1.870 1.00 32.31 C ATOM 386 CG LEU A 67 2.270 -5.198 -0.512 1.00 22.34 C ATOM 387 CD1 LEU A 67 2.174 -4.184 0.616 1.00 43.01 C ATOM 388 CD2 LEU A 67 1.159 -6.232 -0.399 1.00 53.20 C ATOM 0 H LEU A 67 2.778 -3.406 -4.006 1.00 52.53 H new ATOM 0 HA LEU A 67 3.747 -5.721 -2.748 1.00 64.23 H new ATOM 0 HB2 LEU A 67 2.741 -3.546 -1.788 1.00 32.31 H new ATOM 0 HB3 LEU A 67 1.173 -4.266 -2.094 1.00 32.31 H new ATOM 0 HG LEU A 67 3.227 -5.713 -0.429 1.00 22.34 H new ATOM 0 HD11 LEU A 67 2.215 -4.701 1.575 1.00 43.01 H new ATOM 0 HD12 LEU A 67 3.005 -3.482 0.546 1.00 43.01 H new ATOM 0 HD13 LEU A 67 1.232 -3.640 0.537 1.00 43.01 H new ATOM 0 HD21 LEU A 67 1.214 -6.721 0.574 1.00 53.20 H new ATOM 0 HD22 LEU A 67 0.192 -5.740 -0.503 1.00 53.20 H new ATOM 0 HD23 LEU A 67 1.274 -6.977 -1.186 1.00 53.20 H new ATOM 400 N GLY A 68 0.772 -6.019 -4.150 1.00 11.00 N ATOM 401 CA GLY A 68 -0.199 -7.001 -4.595 1.00 34.53 C ATOM 402 C GLY A 68 0.406 -8.034 -5.526 1.00 4.50 C ATOM 403 O GLY A 68 0.089 -9.221 -5.438 1.00 2.31 O ATOM 0 H GLY A 68 0.555 -5.056 -4.405 1.00 11.00 H new ATOM 0 HA2 GLY A 68 -0.626 -7.504 -3.727 1.00 34.53 H new ATOM 0 HA3 GLY A 68 -1.018 -6.493 -5.104 1.00 34.53 H new ATOM 407 N VAL A 69 1.279 -7.583 -6.420 1.00 21.23 N ATOM 408 CA VAL A 69 1.929 -8.477 -7.371 1.00 62.21 C ATOM 409 C VAL A 69 2.783 -9.517 -6.653 1.00 42.13 C ATOM 410 O VAL A 69 2.697 -10.711 -6.939 1.00 4.42 O ATOM 411 CB VAL A 69 2.815 -7.696 -8.360 1.00 20.15 C ATOM 412 CG1 VAL A 69 3.537 -8.650 -9.299 1.00 1.11 C ATOM 413 CG2 VAL A 69 1.981 -6.693 -9.143 1.00 21.41 C ATOM 0 H VAL A 69 1.553 -6.604 -6.506 1.00 21.23 H new ATOM 0 HA VAL A 69 1.136 -8.981 -7.924 1.00 62.21 H new ATOM 0 HB VAL A 69 3.566 -7.146 -7.793 1.00 20.15 H new ATOM 0 HG11 VAL A 69 4.158 -8.080 -9.990 1.00 1.11 H new ATOM 0 HG12 VAL A 69 4.166 -9.325 -8.719 1.00 1.11 H new ATOM 0 HG13 VAL A 69 2.805 -9.230 -9.862 1.00 1.11 H new ATOM 0 HG21 VAL A 69 2.622 -6.150 -9.837 1.00 21.41 H new ATOM 0 HG22 VAL A 69 1.207 -7.220 -9.701 1.00 21.41 H new ATOM 0 HG23 VAL A 69 1.515 -5.989 -8.453 1.00 21.41 H new ATOM 423 N VAL A 70 3.607 -9.054 -5.719 1.00 62.21 N ATOM 424 CA VAL A 70 4.476 -9.943 -4.958 1.00 65.23 C ATOM 425 C VAL A 70 3.663 -10.894 -4.086 1.00 21.02 C ATOM 426 O VAL A 70 3.843 -12.110 -4.140 1.00 20.43 O ATOM 427 CB VAL A 70 5.447 -9.150 -4.063 1.00 72.43 C ATOM 428 CG1 VAL A 70 6.376 -10.093 -3.313 1.00 1.44 C ATOM 429 CG2 VAL A 70 6.245 -8.155 -4.894 1.00 14.42 C ATOM 0 H VAL A 70 3.691 -8.068 -5.471 1.00 62.21 H new ATOM 0 HA VAL A 70 5.050 -10.519 -5.684 1.00 65.23 H new ATOM 0 HB VAL A 70 4.863 -8.594 -3.330 1.00 72.43 H new ATOM 0 HG11 VAL A 70 7.054 -9.514 -2.686 1.00 1.44 H new ATOM 0 HG12 VAL A 70 5.787 -10.763 -2.687 1.00 1.44 H new ATOM 0 HG13 VAL A 70 6.954 -10.679 -4.028 1.00 1.44 H new ATOM 0 HG21 VAL A 70 6.926 -7.603 -4.246 1.00 14.42 H new ATOM 0 HG22 VAL A 70 6.818 -8.690 -5.651 1.00 14.42 H new ATOM 0 HG23 VAL A 70 5.563 -7.458 -5.381 1.00 14.42 H new ATOM 439 N PHE A 71 2.765 -10.330 -3.284 1.00 24.50 N ATOM 440 CA PHE A 71 1.924 -11.128 -2.400 1.00 21.01 C ATOM 441 C PHE A 71 1.208 -12.229 -3.177 1.00 54.11 C ATOM 442 O PHE A 71 1.291 -13.405 -2.826 1.00 31.14 O ATOM 443 CB PHE A 71 0.898 -10.236 -1.696 1.00 71.43 C ATOM 444 CG PHE A 71 0.327 -10.848 -0.449 1.00 11.34 C ATOM 445 CD1 PHE A 71 1.132 -11.085 0.654 1.00 13.11 C ATOM 446 CD2 PHE A 71 -1.015 -11.186 -0.379 1.00 33.52 C ATOM 447 CE1 PHE A 71 0.609 -11.649 1.801 1.00 0.51 C ATOM 448 CE2 PHE A 71 -1.544 -11.749 0.766 1.00 25.12 C ATOM 449 CZ PHE A 71 -0.731 -11.981 1.858 1.00 51.41 C ATOM 0 H PHE A 71 2.602 -9.325 -3.228 1.00 24.50 H new ATOM 0 HA PHE A 71 2.566 -11.594 -1.652 1.00 21.01 H new ATOM 0 HB2 PHE A 71 1.368 -9.286 -1.442 1.00 71.43 H new ATOM 0 HB3 PHE A 71 0.085 -10.015 -2.388 1.00 71.43 H new ATOM 0 HD1 PHE A 71 2.180 -10.826 0.616 1.00 13.11 H new ATOM 0 HD2 PHE A 71 -1.655 -11.007 -1.230 1.00 33.52 H new ATOM 0 HE1 PHE A 71 1.247 -11.830 2.653 1.00 0.51 H new ATOM 0 HE2 PHE A 71 -2.592 -12.007 0.807 1.00 25.12 H new ATOM 0 HZ PHE A 71 -1.142 -12.421 2.755 1.00 51.41 H new ATOM 459 N GLY A 72 0.505 -11.837 -4.235 1.00 35.43 N ATOM 460 CA GLY A 72 -0.216 -12.801 -5.046 1.00 4.20 C ATOM 461 C GLY A 72 0.662 -13.954 -5.493 1.00 55.52 C ATOM 462 O GLY A 72 0.371 -15.113 -5.202 1.00 1.24 O ATOM 0 H GLY A 72 0.422 -10.869 -4.545 1.00 35.43 H new ATOM 0 HA2 GLY A 72 -1.060 -13.190 -4.477 1.00 4.20 H new ATOM 0 HA3 GLY A 72 -0.626 -12.299 -5.923 1.00 4.20 H new ATOM 466 N ILE A 73 1.738 -13.634 -6.205 1.00 51.40 N ATOM 467 CA ILE A 73 2.660 -14.652 -6.694 1.00 61.02 C ATOM 468 C ILE A 73 3.222 -15.482 -5.544 1.00 51.25 C ATOM 469 O ILE A 73 3.377 -16.698 -5.660 1.00 62.13 O ATOM 470 CB ILE A 73 3.828 -14.024 -7.477 1.00 14.52 C ATOM 471 CG1 ILE A 73 3.297 -13.214 -8.663 1.00 2.53 C ATOM 472 CG2 ILE A 73 4.787 -15.104 -7.954 1.00 53.14 C ATOM 473 CD1 ILE A 73 4.332 -12.302 -9.283 1.00 52.22 C ATOM 0 H ILE A 73 1.992 -12.679 -6.456 1.00 51.40 H new ATOM 0 HA ILE A 73 2.091 -15.299 -7.362 1.00 61.02 H new ATOM 0 HB ILE A 73 4.371 -13.350 -6.814 1.00 14.52 H new ATOM 0 HG12 ILE A 73 2.926 -13.900 -9.424 1.00 2.53 H new ATOM 0 HG13 ILE A 73 2.448 -12.615 -8.333 1.00 2.53 H new ATOM 0 HG21 ILE A 73 5.607 -14.645 -8.506 1.00 53.14 H new ATOM 0 HG22 ILE A 73 5.185 -15.643 -7.094 1.00 53.14 H new ATOM 0 HG23 ILE A 73 4.257 -15.800 -8.604 1.00 53.14 H new ATOM 0 HD11 ILE A 73 3.886 -11.760 -10.117 1.00 52.22 H new ATOM 0 HD12 ILE A 73 4.686 -11.592 -8.536 1.00 52.22 H new ATOM 0 HD13 ILE A 73 5.171 -12.897 -9.644 1.00 52.22 H new ATOM 834 N PRO B 150 14.267 17.442 -2.578 1.00 63.52 N ATOM 835 CA PRO B 150 14.530 16.399 -1.581 1.00 21.42 C ATOM 836 C PRO B 150 13.331 16.149 -0.673 1.00 62.23 C ATOM 837 O PRO B 150 12.947 15.003 -0.435 1.00 64.12 O ATOM 838 CB PRO B 150 15.703 16.965 -0.776 1.00 12.31 C ATOM 839 CG PRO B 150 15.593 18.442 -0.936 1.00 52.22 C ATOM 840 CD PRO B 150 15.035 18.669 -2.313 1.00 51.13 C ATOM 0 HA PRO B 150 14.740 15.435 -2.045 1.00 21.42 H new ATOM 0 HB2 PRO B 150 15.640 16.674 0.273 1.00 12.31 H new ATOM 0 HB3 PRO B 150 16.657 16.596 -1.153 1.00 12.31 H new ATOM 0 HG2 PRO B 150 14.940 18.869 -0.175 1.00 52.22 H new ATOM 0 HG3 PRO B 150 16.566 18.920 -0.826 1.00 52.22 H new ATOM 0 HD2 PRO B 150 14.401 19.555 -2.348 1.00 51.13 H new ATOM 0 HD3 PRO B 150 15.827 18.814 -3.048 1.00 51.13 H new ATOM 848 N LEU B 151 12.743 17.228 -0.168 1.00 31.30 N ATOM 849 CA LEU B 151 11.586 17.126 0.714 1.00 72.00 C ATOM 850 C LEU B 151 10.467 16.325 0.056 1.00 34.24 C ATOM 851 O LEU B 151 9.639 15.718 0.736 1.00 62.32 O ATOM 852 CB LEU B 151 11.079 18.521 1.086 1.00 74.40 C ATOM 853 CG LEU B 151 12.146 19.535 1.500 1.00 11.20 C ATOM 854 CD1 LEU B 151 12.085 20.767 0.610 1.00 63.13 C ATOM 855 CD2 LEU B 151 11.976 19.921 2.961 1.00 42.14 C ATOM 0 H LEU B 151 13.048 18.183 -0.354 1.00 31.30 H new ATOM 0 HA LEU B 151 11.896 16.605 1.620 1.00 72.00 H new ATOM 0 HB2 LEU B 151 10.533 18.926 0.234 1.00 74.40 H new ATOM 0 HB3 LEU B 151 10.365 18.420 1.904 1.00 74.40 H new ATOM 0 HG LEU B 151 13.126 19.073 1.379 1.00 11.20 H new ATOM 0 HD11 LEU B 151 12.851 21.478 0.919 1.00 63.13 H new ATOM 0 HD12 LEU B 151 12.257 20.476 -0.426 1.00 63.13 H new ATOM 0 HD13 LEU B 151 11.103 21.231 0.698 1.00 63.13 H new ATOM 0 HD21 LEU B 151 12.744 20.643 3.238 1.00 42.14 H new ATOM 0 HD22 LEU B 151 10.991 20.364 3.108 1.00 42.14 H new ATOM 0 HD23 LEU B 151 12.071 19.033 3.585 1.00 42.14 H new ATOM 867 N THR B 152 10.449 16.326 -1.274 1.00 25.44 N ATOM 868 CA THR B 152 9.433 15.598 -2.024 1.00 75.51 C ATOM 869 C THR B 152 9.513 14.102 -1.750 1.00 24.51 C ATOM 870 O THR B 152 8.499 13.403 -1.758 1.00 55.13 O ATOM 871 CB THR B 152 9.576 15.839 -3.539 1.00 33.34 C ATOM 872 OG1 THR B 152 9.911 17.208 -3.789 1.00 43.50 O ATOM 873 CG2 THR B 152 8.287 15.487 -4.266 1.00 33.13 C ATOM 0 H THR B 152 11.126 16.823 -1.853 1.00 25.44 H new ATOM 0 HA THR B 152 8.465 15.973 -1.692 1.00 75.51 H new ATOM 0 HB THR B 152 10.374 15.197 -3.913 1.00 33.34 H new ATOM 0 HG1 THR B 152 10.002 17.352 -4.754 1.00 43.50 H new ATOM 0 HG21 THR B 152 8.411 15.665 -5.334 1.00 33.13 H new ATOM 0 HG22 THR B 152 8.050 14.436 -4.098 1.00 33.13 H new ATOM 0 HG23 THR B 152 7.475 16.107 -3.887 1.00 33.13 H new ATOM 881 N SER B 153 10.725 13.613 -1.504 1.00 1.23 N ATOM 882 CA SER B 153 10.937 12.197 -1.229 1.00 31.43 C ATOM 883 C SER B 153 10.326 11.806 0.113 1.00 1.33 C ATOM 884 O SER B 153 9.472 10.922 0.184 1.00 51.40 O ATOM 885 CB SER B 153 12.433 11.873 -1.233 1.00 14.32 C ATOM 886 OG SER B 153 12.678 10.607 -1.821 1.00 21.41 O ATOM 0 H SER B 153 11.575 14.177 -1.490 1.00 1.23 H new ATOM 0 HA SER B 153 10.445 11.623 -2.014 1.00 31.43 H new ATOM 0 HB2 SER B 153 12.974 12.644 -1.782 1.00 14.32 H new ATOM 0 HB3 SER B 153 12.813 11.883 -0.212 1.00 14.32 H new ATOM 0 HG SER B 153 13.641 10.424 -1.813 1.00 21.41 H new ATOM 892 N ILE B 154 10.768 12.472 1.174 1.00 54.50 N ATOM 893 CA ILE B 154 10.264 12.196 2.513 1.00 43.22 C ATOM 894 C ILE B 154 8.739 12.225 2.544 1.00 33.25 C ATOM 895 O ILE B 154 8.104 11.352 3.137 1.00 12.21 O ATOM 896 CB ILE B 154 10.805 13.210 3.538 1.00 42.21 C ATOM 897 CG1 ILE B 154 12.335 13.181 3.558 1.00 52.14 C ATOM 898 CG2 ILE B 154 10.247 12.912 4.923 1.00 53.15 C ATOM 899 CD1 ILE B 154 12.969 14.448 3.029 1.00 55.32 C ATOM 0 H ILE B 154 11.474 13.207 1.132 1.00 54.50 H new ATOM 0 HA ILE B 154 10.612 11.198 2.781 1.00 43.22 H new ATOM 0 HB ILE B 154 10.482 14.209 3.244 1.00 42.21 H new ATOM 0 HG12 ILE B 154 12.674 13.014 4.580 1.00 52.14 H new ATOM 0 HG13 ILE B 154 12.682 12.335 2.965 1.00 52.14 H new ATOM 0 HG21 ILE B 154 10.638 13.637 5.637 1.00 53.15 H new ATOM 0 HG22 ILE B 154 9.159 12.977 4.899 1.00 53.15 H new ATOM 0 HG23 ILE B 154 10.543 11.908 5.226 1.00 53.15 H new ATOM 0 HD11 ILE B 154 14.054 14.357 3.073 1.00 55.32 H new ATOM 0 HD12 ILE B 154 12.659 14.606 1.996 1.00 55.32 H new ATOM 0 HD13 ILE B 154 12.651 15.295 3.637 1.00 55.32 H new ATOM 911 N ILE B 155 8.159 13.232 1.900 1.00 13.34 N ATOM 912 CA ILE B 155 6.708 13.371 1.850 1.00 74.45 C ATOM 913 C ILE B 155 6.075 12.245 1.041 1.00 72.04 C ATOM 914 O ILE B 155 5.074 11.659 1.453 1.00 11.13 O ATOM 915 CB ILE B 155 6.294 14.723 1.238 1.00 44.15 C ATOM 916 CG1 ILE B 155 6.889 15.877 2.048 1.00 42.41 C ATOM 917 CG2 ILE B 155 4.778 14.835 1.180 1.00 62.43 C ATOM 918 CD1 ILE B 155 6.837 17.208 1.331 1.00 44.11 C ATOM 0 H ILE B 155 8.671 13.963 1.406 1.00 13.34 H new ATOM 0 HA ILE B 155 6.350 13.321 2.878 1.00 74.45 H new ATOM 0 HB ILE B 155 6.682 14.780 0.221 1.00 44.15 H new ATOM 0 HG12 ILE B 155 6.353 15.961 2.993 1.00 42.41 H new ATOM 0 HG13 ILE B 155 7.926 15.644 2.290 1.00 42.41 H new ATOM 0 HG21 ILE B 155 4.500 15.795 0.745 1.00 62.43 H new ATOM 0 HG22 ILE B 155 4.377 14.029 0.565 1.00 62.43 H new ATOM 0 HG23 ILE B 155 4.369 14.761 2.188 1.00 62.43 H new ATOM 0 HD11 ILE B 155 7.276 17.980 1.964 1.00 44.11 H new ATOM 0 HD12 ILE B 155 7.398 17.141 0.399 1.00 44.11 H new ATOM 0 HD13 ILE B 155 5.800 17.464 1.113 1.00 44.11 H new ATOM 930 N SER B 156 6.666 11.946 -0.112 1.00 64.53 N ATOM 931 CA SER B 156 6.158 10.890 -0.979 1.00 33.01 C ATOM 932 C SER B 156 6.187 9.540 -0.269 1.00 52.24 C ATOM 933 O SER B 156 5.246 8.754 -0.369 1.00 61.34 O ATOM 934 CB SER B 156 6.983 10.819 -2.267 1.00 41.20 C ATOM 935 OG SER B 156 8.263 10.263 -2.022 1.00 11.42 O ATOM 0 H SER B 156 7.497 12.420 -0.467 1.00 64.53 H new ATOM 0 HA SER B 156 5.124 11.126 -1.229 1.00 33.01 H new ATOM 0 HB2 SER B 156 6.457 10.216 -3.007 1.00 41.20 H new ATOM 0 HB3 SER B 156 7.092 11.818 -2.689 1.00 41.20 H new ATOM 0 HG SER B 156 8.611 10.604 -1.172 1.00 11.42 H new ATOM 941 N ALA B 157 7.274 9.282 0.450 1.00 65.31 N ATOM 942 CA ALA B 157 7.427 8.029 1.180 1.00 43.40 C ATOM 943 C ALA B 157 6.369 7.898 2.271 1.00 4.13 C ATOM 944 O ALA B 157 5.723 6.858 2.402 1.00 32.05 O ATOM 945 CB ALA B 157 8.821 7.934 1.782 1.00 74.52 C ATOM 0 H ALA B 157 8.062 9.923 0.543 1.00 65.31 H new ATOM 0 HA ALA B 157 7.291 7.208 0.476 1.00 43.40 H new ATOM 0 HB1 ALA B 157 8.920 6.993 2.324 1.00 74.52 H new ATOM 0 HB2 ALA B 157 9.565 7.974 0.986 1.00 74.52 H new ATOM 0 HB3 ALA B 157 8.979 8.766 2.468 1.00 74.52 H new ATOM 951 N VAL B 158 6.196 8.959 3.053 1.00 23.32 N ATOM 952 CA VAL B 158 5.216 8.962 4.133 1.00 62.43 C ATOM 953 C VAL B 158 3.828 8.603 3.616 1.00 53.13 C ATOM 954 O VAL B 158 3.116 7.802 4.220 1.00 1.24 O ATOM 955 CB VAL B 158 5.154 10.333 4.831 1.00 31.51 C ATOM 956 CG1 VAL B 158 4.060 10.346 5.888 1.00 74.33 C ATOM 957 CG2 VAL B 158 6.503 10.680 5.443 1.00 61.13 C ATOM 0 H VAL B 158 6.722 9.828 2.959 1.00 23.32 H new ATOM 0 HA VAL B 158 5.537 8.210 4.854 1.00 62.43 H new ATOM 0 HB VAL B 158 4.913 11.091 4.085 1.00 31.51 H new ATOM 0 HG11 VAL B 158 4.032 11.323 6.370 1.00 74.33 H new ATOM 0 HG12 VAL B 158 3.097 10.145 5.418 1.00 74.33 H new ATOM 0 HG13 VAL B 158 4.266 9.579 6.634 1.00 74.33 H new ATOM 0 HG21 VAL B 158 6.441 11.652 5.932 1.00 61.13 H new ATOM 0 HG22 VAL B 158 6.776 9.921 6.176 1.00 61.13 H new ATOM 0 HG23 VAL B 158 7.260 10.716 4.659 1.00 61.13 H new ATOM 967 N VAL B 159 3.448 9.204 2.492 1.00 11.23 N ATOM 968 CA VAL B 159 2.144 8.947 1.891 1.00 64.41 C ATOM 969 C VAL B 159 1.986 7.475 1.530 1.00 63.10 C ATOM 970 O VAL B 159 0.976 6.851 1.853 1.00 23.13 O ATOM 971 CB VAL B 159 1.932 9.800 0.626 1.00 22.21 C ATOM 972 CG1 VAL B 159 0.604 9.458 -0.032 1.00 32.04 C ATOM 973 CG2 VAL B 159 2.002 11.281 0.965 1.00 42.42 C ATOM 0 H VAL B 159 4.024 9.872 1.980 1.00 11.23 H new ATOM 0 HA VAL B 159 1.394 9.218 2.634 1.00 64.41 H new ATOM 0 HB VAL B 159 2.730 9.574 -0.082 1.00 22.21 H new ATOM 0 HG11 VAL B 159 0.471 10.070 -0.924 1.00 32.04 H new ATOM 0 HG12 VAL B 159 0.597 8.404 -0.311 1.00 32.04 H new ATOM 0 HG13 VAL B 159 -0.209 9.654 0.667 1.00 32.04 H new ATOM 0 HG21 VAL B 159 1.850 11.869 0.060 1.00 42.42 H new ATOM 0 HG22 VAL B 159 1.226 11.525 1.691 1.00 42.42 H new ATOM 0 HG23 VAL B 159 2.980 11.512 1.388 1.00 42.42 H new ATOM 983 N GLY B 160 2.992 6.924 0.858 1.00 34.30 N ATOM 984 CA GLY B 160 2.945 5.527 0.464 1.00 54.42 C ATOM 985 C GLY B 160 2.821 4.594 1.651 1.00 41.25 C ATOM 986 O GLY B 160 1.984 3.691 1.654 1.00 4.40 O ATOM 0 H GLY B 160 3.839 7.420 0.579 1.00 34.30 H new ATOM 0 HA2 GLY B 160 2.101 5.370 -0.207 1.00 54.42 H new ATOM 0 HA3 GLY B 160 3.847 5.280 -0.096 1.00 54.42 H new ATOM 990 N ILE B 161 3.657 4.810 2.661 1.00 52.20 N ATOM 991 CA ILE B 161 3.636 3.980 3.859 1.00 70.44 C ATOM 992 C ILE B 161 2.299 4.091 4.583 1.00 35.34 C ATOM 993 O ILE B 161 1.821 3.125 5.180 1.00 14.23 O ATOM 994 CB ILE B 161 4.766 4.367 4.832 1.00 35.30 C ATOM 995 CG1 ILE B 161 6.128 4.233 4.146 1.00 14.02 C ATOM 996 CG2 ILE B 161 4.710 3.502 6.081 1.00 4.43 C ATOM 997 CD1 ILE B 161 7.266 4.839 4.937 1.00 15.51 C ATOM 0 H ILE B 161 4.357 5.552 2.674 1.00 52.20 H new ATOM 0 HA ILE B 161 3.785 2.951 3.531 1.00 70.44 H new ATOM 0 HB ILE B 161 4.629 5.407 5.128 1.00 35.30 H new ATOM 0 HG12 ILE B 161 6.337 3.177 3.975 1.00 14.02 H new ATOM 0 HG13 ILE B 161 6.081 4.711 3.168 1.00 14.02 H new ATOM 0 HG21 ILE B 161 5.515 3.788 6.758 1.00 4.43 H new ATOM 0 HG22 ILE B 161 3.750 3.643 6.578 1.00 4.43 H new ATOM 0 HG23 ILE B 161 4.825 2.454 5.803 1.00 4.43 H new ATOM 0 HD11 ILE B 161 8.200 4.707 4.390 1.00 15.51 H new ATOM 0 HD12 ILE B 161 7.080 5.903 5.086 1.00 15.51 H new ATOM 0 HD13 ILE B 161 7.340 4.345 5.906 1.00 15.51 H new ATOM 1009 N LEU B 162 1.697 5.275 4.524 1.00 22.24 N ATOM 1010 CA LEU B 162 0.412 5.512 5.172 1.00 32.23 C ATOM 1011 C LEU B 162 -0.707 4.765 4.453 1.00 11.21 C ATOM 1012 O LEU B 162 -1.512 4.077 5.080 1.00 3.11 O ATOM 1013 CB LEU B 162 0.104 7.009 5.202 1.00 55.45 C ATOM 1014 CG LEU B 162 -0.975 7.453 6.192 1.00 2.00 C ATOM 1015 CD1 LEU B 162 -0.342 8.067 7.432 1.00 34.34 C ATOM 1016 CD2 LEU B 162 -1.929 8.439 5.534 1.00 64.04 C ATOM 0 H LEU B 162 2.078 6.085 4.034 1.00 22.24 H new ATOM 0 HA LEU B 162 0.474 5.139 6.194 1.00 32.23 H new ATOM 0 HB2 LEU B 162 1.025 7.544 5.434 1.00 55.45 H new ATOM 0 HB3 LEU B 162 -0.200 7.317 4.202 1.00 55.45 H new ATOM 0 HG LEU B 162 -1.545 6.575 6.497 1.00 2.00 H new ATOM 0 HD11 LEU B 162 -1.125 8.377 8.125 1.00 34.34 H new ATOM 0 HD12 LEU B 162 0.300 7.331 7.916 1.00 34.34 H new ATOM 0 HD13 LEU B 162 0.253 8.934 7.145 1.00 34.34 H new ATOM 0 HD21 LEU B 162 -2.690 8.744 6.253 1.00 64.04 H new ATOM 0 HD22 LEU B 162 -1.373 9.315 5.200 1.00 64.04 H new ATOM 0 HD23 LEU B 162 -2.408 7.965 4.677 1.00 64.04 H new ATOM 1028 N LEU B 163 -0.750 4.904 3.132 1.00 44.34 N ATOM 1029 CA LEU B 163 -1.769 4.241 2.326 1.00 13.11 C ATOM 1030 C LEU B 163 -1.716 2.728 2.518 1.00 61.12 C ATOM 1031 O LEU B 163 -2.748 2.058 2.544 1.00 14.41 O ATOM 1032 CB LEU B 163 -1.582 4.585 0.847 1.00 22.22 C ATOM 1033 CG LEU B 163 -2.862 4.729 0.024 1.00 71.01 C ATOM 1034 CD1 LEU B 163 -3.664 3.437 0.054 1.00 42.34 C ATOM 1035 CD2 LEU B 163 -3.699 5.891 0.539 1.00 31.21 C ATOM 0 H LEU B 163 -0.091 5.470 2.597 1.00 44.34 H new ATOM 0 HA LEU B 163 -2.745 4.597 2.655 1.00 13.11 H new ATOM 0 HB2 LEU B 163 -1.024 5.519 0.780 1.00 22.22 H new ATOM 0 HB3 LEU B 163 -0.965 3.811 0.390 1.00 22.22 H new ATOM 0 HG LEU B 163 -2.585 4.937 -1.010 1.00 71.01 H new ATOM 0 HD11 LEU B 163 -4.572 3.558 -0.537 1.00 42.34 H new ATOM 0 HD12 LEU B 163 -3.065 2.627 -0.363 1.00 42.34 H new ATOM 0 HD13 LEU B 163 -3.931 3.198 1.084 1.00 42.34 H new ATOM 0 HD21 LEU B 163 -4.606 5.979 -0.059 1.00 31.21 H new ATOM 0 HD22 LEU B 163 -3.966 5.713 1.581 1.00 31.21 H new ATOM 0 HD23 LEU B 163 -3.125 6.814 0.464 1.00 31.21 H new ATOM 1047 N VAL B 164 -0.506 2.196 2.654 1.00 62.10 N ATOM 1048 CA VAL B 164 -0.318 0.763 2.848 1.00 72.24 C ATOM 1049 C VAL B 164 -0.914 0.306 4.174 1.00 21.43 C ATOM 1050 O VAL B 164 -1.782 -0.568 4.208 1.00 62.02 O ATOM 1051 CB VAL B 164 1.174 0.383 2.810 1.00 72.55 C ATOM 1052 CG1 VAL B 164 1.351 -1.111 3.042 1.00 53.34 C ATOM 1053 CG2 VAL B 164 1.797 0.802 1.487 1.00 64.35 C ATOM 0 H VAL B 164 0.359 2.736 2.633 1.00 62.10 H new ATOM 0 HA VAL B 164 -0.834 0.262 2.029 1.00 72.24 H new ATOM 0 HB VAL B 164 1.687 0.915 3.612 1.00 72.55 H new ATOM 0 HG11 VAL B 164 2.412 -1.361 3.012 1.00 53.34 H new ATOM 0 HG12 VAL B 164 0.943 -1.379 4.017 1.00 53.34 H new ATOM 0 HG13 VAL B 164 0.825 -1.665 2.264 1.00 53.34 H new ATOM 0 HG21 VAL B 164 2.851 0.526 1.478 1.00 64.35 H new ATOM 0 HG22 VAL B 164 1.283 0.300 0.668 1.00 64.35 H new ATOM 0 HG23 VAL B 164 1.704 1.881 1.367 1.00 64.35 H new ATOM 1063 N VAL B 165 -0.445 0.900 5.265 1.00 60.35 N ATOM 1064 CA VAL B 165 -0.932 0.554 6.595 1.00 41.15 C ATOM 1065 C VAL B 165 -2.454 0.622 6.657 1.00 74.23 C ATOM 1066 O VAL B 165 -3.106 -0.287 7.169 1.00 45.03 O ATOM 1067 CB VAL B 165 -0.344 1.489 7.669 1.00 2.15 C ATOM 1068 CG1 VAL B 165 -0.880 1.125 9.045 1.00 72.15 C ATOM 1069 CG2 VAL B 165 1.176 1.433 7.648 1.00 40.33 C ATOM 0 H VAL B 165 0.273 1.624 5.255 1.00 60.35 H new ATOM 0 HA VAL B 165 -0.607 -0.467 6.795 1.00 41.15 H new ATOM 0 HB VAL B 165 -0.651 2.511 7.445 1.00 2.15 H new ATOM 0 HG11 VAL B 165 -0.454 1.796 9.791 1.00 72.15 H new ATOM 0 HG12 VAL B 165 -1.966 1.220 9.049 1.00 72.15 H new ATOM 0 HG13 VAL B 165 -0.605 0.097 9.282 1.00 72.15 H new ATOM 0 HG21 VAL B 165 1.575 2.099 8.413 1.00 40.33 H new ATOM 0 HG22 VAL B 165 1.505 0.413 7.847 1.00 40.33 H new ATOM 0 HG23 VAL B 165 1.538 1.746 6.669 1.00 40.33 H new ATOM 1079 N VAL B 166 -3.015 1.707 6.130 1.00 24.14 N ATOM 1080 CA VAL B 166 -4.461 1.892 6.123 1.00 74.04 C ATOM 1081 C VAL B 166 -5.160 0.736 5.417 1.00 61.01 C ATOM 1082 O VAL B 166 -6.190 0.243 5.879 1.00 45.34 O ATOM 1083 CB VAL B 166 -4.853 3.213 5.435 1.00 14.52 C ATOM 1084 CG1 VAL B 166 -6.366 3.372 5.408 1.00 33.10 C ATOM 1085 CG2 VAL B 166 -4.197 4.393 6.134 1.00 11.32 C ATOM 0 H VAL B 166 -2.490 2.470 5.703 1.00 24.14 H new ATOM 0 HA VAL B 166 -4.782 1.924 7.164 1.00 74.04 H new ATOM 0 HB VAL B 166 -4.496 3.186 4.406 1.00 14.52 H new ATOM 0 HG11 VAL B 166 -6.625 4.311 4.918 1.00 33.10 H new ATOM 0 HG12 VAL B 166 -6.809 2.542 4.858 1.00 33.10 H new ATOM 0 HG13 VAL B 166 -6.750 3.377 6.428 1.00 33.10 H new ATOM 0 HG21 VAL B 166 -4.485 5.318 5.634 1.00 11.32 H new ATOM 0 HG22 VAL B 166 -4.521 4.426 7.174 1.00 11.32 H new ATOM 0 HG23 VAL B 166 -3.113 4.282 6.095 1.00 11.32 H new ATOM 1095 N LEU B 167 -4.595 0.308 4.294 1.00 2.04 N ATOM 1096 CA LEU B 167 -5.164 -0.792 3.522 1.00 64.02 C ATOM 1097 C LEU B 167 -5.219 -2.070 4.354 1.00 54.42 C ATOM 1098 O LEU B 167 -6.234 -2.765 4.376 1.00 12.51 O ATOM 1099 CB LEU B 167 -4.342 -1.031 2.254 1.00 61.00 C ATOM 1100 CG LEU B 167 -5.024 -1.848 1.156 1.00 71.12 C ATOM 1101 CD1 LEU B 167 -4.377 -1.573 -0.193 1.00 53.33 C ATOM 1102 CD2 LEU B 167 -4.969 -3.332 1.484 1.00 63.51 C ATOM 0 H LEU B 167 -3.744 0.705 3.897 1.00 2.04 H new ATOM 0 HA LEU B 167 -6.181 -0.518 3.242 1.00 64.02 H new ATOM 0 HB2 LEU B 167 -4.063 -0.063 1.838 1.00 61.00 H new ATOM 0 HB3 LEU B 167 -3.418 -1.536 2.534 1.00 61.00 H new ATOM 0 HG LEU B 167 -6.070 -1.547 1.102 1.00 71.12 H new ATOM 0 HD11 LEU B 167 -4.875 -2.163 -0.962 1.00 53.33 H new ATOM 0 HD12 LEU B 167 -4.469 -0.513 -0.432 1.00 53.33 H new ATOM 0 HD13 LEU B 167 -3.322 -1.845 -0.153 1.00 53.33 H new ATOM 0 HD21 LEU B 167 -5.459 -3.898 0.692 1.00 63.51 H new ATOM 0 HD22 LEU B 167 -3.929 -3.648 1.566 1.00 63.51 H new ATOM 0 HD23 LEU B 167 -5.479 -3.515 2.430 1.00 63.51 H new ATOM 1114 N GLY B 168 -4.121 -2.371 5.040 1.00 20.45 N ATOM 1115 CA GLY B 168 -4.065 -3.563 5.865 1.00 3.12 C ATOM 1116 C GLY B 168 -5.109 -3.555 6.966 1.00 35.43 C ATOM 1117 O GLY B 168 -5.714 -4.585 7.263 1.00 44.44 O ATOM 0 H GLY B 168 -3.269 -1.810 5.039 1.00 20.45 H new ATOM 0 HA2 GLY B 168 -4.209 -4.443 5.238 1.00 3.12 H new ATOM 0 HA3 GLY B 168 -3.073 -3.648 6.309 1.00 3.12 H new ATOM 1121 N VAL B 169 -5.318 -2.391 7.571 1.00 33.13 N ATOM 1122 CA VAL B 169 -6.295 -2.253 8.644 1.00 2.21 C ATOM 1123 C VAL B 169 -7.705 -2.556 8.148 1.00 21.41 C ATOM 1124 O VAL B 169 -8.442 -3.321 8.770 1.00 12.25 O ATOM 1125 CB VAL B 169 -6.269 -0.837 9.248 1.00 11.50 C ATOM 1126 CG1 VAL B 169 -7.341 -0.693 10.319 1.00 73.35 C ATOM 1127 CG2 VAL B 169 -4.892 -0.524 9.815 1.00 20.11 C ATOM 0 H VAL B 169 -4.824 -1.530 7.337 1.00 33.13 H new ATOM 0 HA VAL B 169 -6.022 -2.974 9.414 1.00 2.21 H new ATOM 0 HB VAL B 169 -6.482 -0.119 8.456 1.00 11.50 H new ATOM 0 HG11 VAL B 169 -7.307 0.314 10.734 1.00 73.35 H new ATOM 0 HG12 VAL B 169 -8.322 -0.871 9.878 1.00 73.35 H new ATOM 0 HG13 VAL B 169 -7.162 -1.419 11.112 1.00 73.35 H new ATOM 0 HG21 VAL B 169 -4.892 0.481 10.238 1.00 20.11 H new ATOM 0 HG22 VAL B 169 -4.647 -1.245 10.594 1.00 20.11 H new ATOM 0 HG23 VAL B 169 -4.149 -0.583 9.020 1.00 20.11 H new ATOM 1137 N VAL B 170 -8.072 -1.952 7.024 1.00 34.44 N ATOM 1138 CA VAL B 170 -9.394 -2.158 6.441 1.00 63.44 C ATOM 1139 C VAL B 170 -9.583 -3.608 6.009 1.00 14.04 C ATOM 1140 O VAL B 170 -10.557 -4.258 6.388 1.00 53.54 O ATOM 1141 CB VAL B 170 -9.621 -1.238 5.228 1.00 14.14 C ATOM 1142 CG1 VAL B 170 -11.020 -1.437 4.662 1.00 52.14 C ATOM 1143 CG2 VAL B 170 -9.396 0.216 5.611 1.00 63.45 C ATOM 0 H VAL B 170 -7.473 -1.316 6.498 1.00 34.44 H new ATOM 0 HA VAL B 170 -10.123 -1.914 7.213 1.00 63.44 H new ATOM 0 HB VAL B 170 -8.899 -1.502 4.455 1.00 14.14 H new ATOM 0 HG11 VAL B 170 -11.163 -0.779 3.805 1.00 52.14 H new ATOM 0 HG12 VAL B 170 -11.141 -2.474 4.347 1.00 52.14 H new ATOM 0 HG13 VAL B 170 -11.759 -1.202 5.428 1.00 52.14 H new ATOM 0 HG21 VAL B 170 -9.561 0.851 4.741 1.00 63.45 H new ATOM 0 HG22 VAL B 170 -10.092 0.496 6.402 1.00 63.45 H new ATOM 0 HG23 VAL B 170 -8.373 0.345 5.966 1.00 63.45 H new ATOM 1153 N PHE B 171 -8.645 -4.110 5.213 1.00 72.14 N ATOM 1154 CA PHE B 171 -8.709 -5.483 4.728 1.00 34.45 C ATOM 1155 C PHE B 171 -8.891 -6.461 5.885 1.00 63.42 C ATOM 1156 O PHE B 171 -9.810 -7.277 5.883 1.00 4.03 O ATOM 1157 CB PHE B 171 -7.440 -5.831 3.947 1.00 71.23 C ATOM 1158 CG PHE B 171 -7.612 -6.988 3.005 1.00 14.43 C ATOM 1159 CD1 PHE B 171 -8.460 -6.888 1.914 1.00 1.55 C ATOM 1160 CD2 PHE B 171 -6.926 -8.173 3.211 1.00 35.32 C ATOM 1161 CE1 PHE B 171 -8.622 -7.952 1.047 1.00 35.44 C ATOM 1162 CE2 PHE B 171 -7.084 -9.240 2.346 1.00 34.32 C ATOM 1163 CZ PHE B 171 -7.932 -9.129 1.262 1.00 31.42 C ATOM 0 H PHE B 171 -7.831 -3.586 4.890 1.00 72.14 H new ATOM 0 HA PHE B 171 -9.570 -5.567 4.065 1.00 34.45 H new ATOM 0 HB2 PHE B 171 -7.121 -4.956 3.380 1.00 71.23 H new ATOM 0 HB3 PHE B 171 -6.642 -6.063 4.652 1.00 71.23 H new ATOM 0 HD1 PHE B 171 -9.000 -5.969 1.739 1.00 1.55 H new ATOM 0 HD2 PHE B 171 -6.260 -8.265 4.056 1.00 35.32 H new ATOM 0 HE1 PHE B 171 -9.288 -7.863 0.201 1.00 35.44 H new ATOM 0 HE2 PHE B 171 -6.545 -10.160 2.518 1.00 34.32 H new ATOM 0 HZ PHE B 171 -8.055 -9.960 0.584 1.00 31.42 H new ATOM 1173 N GLY B 172 -8.005 -6.371 6.873 1.00 32.32 N ATOM 1174 CA GLY B 172 -8.084 -7.252 8.023 1.00 24.11 C ATOM 1175 C GLY B 172 -9.457 -7.247 8.665 1.00 51.13 C ATOM 1176 O GLY B 172 -10.110 -8.287 8.759 1.00 52.43 O ATOM 0 H GLY B 172 -7.234 -5.703 6.897 1.00 32.32 H new ATOM 0 HA2 GLY B 172 -7.834 -8.268 7.716 1.00 24.11 H new ATOM 0 HA3 GLY B 172 -7.341 -6.949 8.760 1.00 24.11 H new ATOM 1180 N ILE B 173 -9.896 -6.073 9.109 1.00 25.03 N ATOM 1181 CA ILE B 173 -11.200 -5.938 9.746 1.00 74.41 C ATOM 1182 C ILE B 173 -12.313 -6.434 8.830 1.00 3.12 C ATOM 1183 O ILE B 173 -13.266 -7.071 9.282 1.00 20.33 O ATOM 1184 CB ILE B 173 -11.485 -4.475 10.138 1.00 34.35 C ATOM 1185 CG1 ILE B 173 -10.403 -3.957 11.086 1.00 22.43 C ATOM 1186 CG2 ILE B 173 -12.861 -4.358 10.778 1.00 74.14 C ATOM 1187 CD1 ILE B 173 -10.417 -2.454 11.256 1.00 24.25 C ATOM 0 H ILE B 173 -9.368 -5.203 9.039 1.00 25.03 H new ATOM 0 HA ILE B 173 -11.177 -6.550 10.648 1.00 74.41 H new ATOM 0 HB ILE B 173 -11.472 -3.863 9.236 1.00 34.35 H new ATOM 0 HG12 ILE B 173 -10.531 -4.426 12.062 1.00 22.43 H new ATOM 0 HG13 ILE B 173 -9.426 -4.263 10.711 1.00 22.43 H new ATOM 0 HG21 ILE B 173 -13.049 -3.319 11.050 1.00 74.14 H new ATOM 0 HG22 ILE B 173 -13.621 -4.691 10.071 1.00 74.14 H new ATOM 0 HG23 ILE B 173 -12.900 -4.980 11.672 1.00 74.14 H new ATOM 0 HD11 ILE B 173 -9.623 -2.158 11.942 1.00 24.25 H new ATOM 0 HD12 ILE B 173 -10.258 -1.977 10.289 1.00 24.25 H new ATOM 0 HD13 ILE B 173 -11.380 -2.143 11.660 1.00 24.25 H new ATOM 1199 N LEU B 174 -12.187 -6.141 7.541 1.00 61.40 N ATOM 1200 CA LEU B 174 -13.182 -6.559 6.559 1.00 63.45 C ATOM 1201 C LEU B 174 -13.340 -8.076 6.557 1.00 25.10 C ATOM 1202 O LEU B 174 -14.424 -8.597 6.818 1.00 25.35 O ATOM 1203 CB LEU B 174 -12.785 -6.074 5.164 1.00 60.23 C ATOM 1204 CG LEU B 174 -13.152 -4.629 4.827 1.00 34.25 C ATOM 1205 CD1 LEU B 174 -12.656 -4.262 3.437 1.00 31.52 C ATOM 1206 CD2 LEU B 174 -14.657 -4.423 4.929 1.00 71.32 C ATOM 0 H LEU B 174 -11.405 -5.615 7.151 1.00 61.40 H new ATOM 0 HA LEU B 174 -14.138 -6.113 6.833 1.00 63.45 H new ATOM 0 HB2 LEU B 174 -11.707 -6.189 5.054 1.00 60.23 H new ATOM 0 HB3 LEU B 174 -13.252 -6.728 4.427 1.00 60.23 H new ATOM 0 HG LEU B 174 -12.665 -3.973 5.549 1.00 34.25 H new ATOM 0 HD11 LEU B 174 -12.927 -3.230 3.215 1.00 31.52 H new ATOM 0 HD12 LEU B 174 -11.572 -4.370 3.397 1.00 31.52 H new ATOM 0 HD13 LEU B 174 -13.113 -4.923 2.701 1.00 31.52 H new ATOM 0 HD21 LEU B 174 -14.900 -3.389 4.686 1.00 71.32 H new ATOM 0 HD22 LEU B 174 -15.164 -5.089 4.230 1.00 71.32 H new ATOM 0 HD23 LEU B 174 -14.987 -4.644 5.944 1.00 71.32 H new ATOM 1218 N ILE B 175 -12.251 -8.779 6.263 1.00 3.21 N ATOM 1219 CA ILE B 175 -12.268 -10.236 6.230 1.00 5.12 C ATOM 1220 C ILE B 175 -12.757 -10.810 7.557 1.00 61.41 C ATOM 1221 O ILE B 175 -13.372 -11.876 7.596 1.00 71.54 O ATOM 1222 CB ILE B 175 -10.874 -10.809 5.919 1.00 23.42 C ATOM 1223 CG1 ILE B 175 -10.336 -10.218 4.614 1.00 62.31 C ATOM 1224 CG2 ILE B 175 -10.931 -12.327 5.836 1.00 74.31 C ATOM 1225 CD1 ILE B 175 -11.088 -10.680 3.386 1.00 3.42 C ATOM 0 H ILE B 175 -11.346 -8.363 6.044 1.00 3.21 H new ATOM 0 HA ILE B 175 -12.956 -10.525 5.435 1.00 5.12 H new ATOM 0 HB ILE B 175 -10.196 -10.535 6.727 1.00 23.42 H new ATOM 0 HG12 ILE B 175 -10.383 -9.130 4.671 1.00 62.31 H new ATOM 0 HG13 ILE B 175 -9.285 -10.487 4.509 1.00 62.31 H new ATOM 0 HG21 ILE B 175 -9.937 -12.717 5.615 1.00 74.31 H new ATOM 0 HG22 ILE B 175 -11.276 -12.731 6.788 1.00 74.31 H new ATOM 0 HG23 ILE B 175 -11.620 -12.623 5.045 1.00 74.31 H new ATOM 0 HD11 ILE B 175 -10.652 -10.221 2.498 1.00 3.42 H new ATOM 0 HD12 ILE B 175 -11.020 -11.765 3.304 1.00 3.42 H new ATOM 0 HD13 ILE B 175 -12.135 -10.387 3.469 1.00 3.42 H new ATOM 1237 N LYS B 176 -12.481 -10.094 8.642 1.00 22.24 N ATOM 1238 CA LYS B 176 -12.894 -10.530 9.971 1.00 14.21 C ATOM 1239 C LYS B 176 -14.405 -10.404 10.138 1.00 65.42 C ATOM 1240 O LYS B 176 -15.096 -11.396 10.370 1.00 2.55 O ATOM 1241 CB LYS B 176 -12.181 -9.704 11.044 1.00 71.34 C ATOM 1242 CG LYS B 176 -10.723 -10.086 11.237 1.00 21.22 C ATOM 1243 CD LYS B 176 -9.939 -8.971 11.908 1.00 1.22 C ATOM 1244 CE LYS B 176 -9.628 -9.303 13.360 1.00 14.35 C ATOM 1245 NZ LYS B 176 -9.194 -8.101 14.123 1.00 22.53 N ATOM 0 H LYS B 176 -11.973 -9.210 8.627 1.00 22.24 H new ATOM 0 HA LYS B 176 -12.619 -11.579 10.086 1.00 14.21 H new ATOM 0 HB2 LYS B 176 -12.239 -8.649 10.777 1.00 71.34 H new ATOM 0 HB3 LYS B 176 -12.707 -9.822 11.991 1.00 71.34 H new ATOM 0 HG2 LYS B 176 -10.660 -10.991 11.841 1.00 21.22 H new ATOM 0 HG3 LYS B 176 -10.275 -10.316 10.270 1.00 21.22 H new ATOM 0 HD2 LYS B 176 -9.009 -8.801 11.365 1.00 1.22 H new ATOM 0 HD3 LYS B 176 -10.510 -8.044 11.860 1.00 1.22 H new ATOM 0 HE2 LYS B 176 -10.512 -9.733 13.832 1.00 14.35 H new ATOM 0 HE3 LYS B 176 -8.845 -10.060 13.400 1.00 14.35 H new ATOM 0 HZ1 LYS B 176 -8.992 -8.369 15.107 1.00 22.53 H new ATOM 0 HZ2 LYS B 176 -8.336 -7.705 13.689 1.00 22.53 H new ATOM 0 HZ3 LYS B 176 -9.951 -7.388 14.107 1.00 22.53 H new ATOM 1259 N ARG B 177 -14.910 -9.181 10.019 1.00 24.02 N ATOM 1260 CA ARG B 177 -16.339 -8.927 10.158 1.00 24.53 C ATOM 1261 C ARG B 177 -17.145 -9.851 9.250 1.00 12.12 C ATOM 1262 O ARG B 177 -18.279 -10.211 9.564 1.00 5.44 O ATOM 1263 CB ARG B 177 -16.653 -7.468 9.828 1.00 11.52 C ATOM 1264 CG ARG B 177 -16.530 -6.533 11.020 1.00 41.43 C ATOM 1265 CD ARG B 177 -17.309 -5.245 10.801 1.00 3.21 C ATOM 1266 NE ARG B 177 -18.563 -5.231 11.551 1.00 40.05 N ATOM 1267 CZ ARG B 177 -19.483 -4.281 11.425 1.00 2.13 C ATOM 1268 NH1 ARG B 177 -19.293 -3.276 10.581 1.00 65.14 N ATOM 1269 NH2 ARG B 177 -20.598 -4.337 12.142 1.00 44.51 N ATOM 0 H ARG B 177 -14.351 -8.350 9.827 1.00 24.02 H new ATOM 0 HA ARG B 177 -16.620 -9.126 11.192 1.00 24.53 H new ATOM 0 HB2 ARG B 177 -15.979 -7.130 9.041 1.00 11.52 H new ATOM 0 HB3 ARG B 177 -17.666 -7.404 9.430 1.00 11.52 H new ATOM 0 HG2 ARG B 177 -16.897 -7.034 11.916 1.00 41.43 H new ATOM 0 HG3 ARG B 177 -15.480 -6.299 11.193 1.00 41.43 H new ATOM 0 HD2 ARG B 177 -16.697 -4.395 11.102 1.00 3.21 H new ATOM 0 HD3 ARG B 177 -17.520 -5.125 9.738 1.00 3.21 H new ATOM 0 HE ARG B 177 -18.742 -5.992 12.207 1.00 40.05 H new ATOM 0 HH11 ARG B 177 -18.438 -3.231 10.026 1.00 65.14 H new ATOM 0 HH12 ARG B 177 -20.001 -2.548 10.487 1.00 65.14 H new ATOM 0 HH21 ARG B 177 -20.749 -5.110 12.790 1.00 44.51 H new ATOM 0 HH22 ARG B 177 -21.304 -3.607 12.045 1.00 44.51 H new