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 -61:sc= 0.167 USER MOD Set 1.2: B 152 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -42:sc= 1.16 USER MOD Single : B 153 SER OG : rot 180:sc= 0 USER MOD Single : B 156 SER OG : rot -41:sc= 1.04 USER MOD Single : B 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 50 2.995 22.271 -5.276 1.00 53.33 N ATOM 121 CA PRO A 50 1.968 21.227 -5.330 1.00 3.14 C ATOM 122 C PRO A 50 2.477 19.945 -5.982 1.00 53.54 C ATOM 123 O PRO A 50 1.882 18.879 -5.827 1.00 24.05 O ATOM 124 CB PRO A 50 0.864 21.858 -6.182 1.00 54.21 C ATOM 125 CG PRO A 50 1.566 22.864 -7.026 1.00 54.15 C ATOM 126 CD PRO A 50 2.700 23.388 -6.189 1.00 62.13 C ATOM 0 HA PRO A 50 1.639 20.928 -4.335 1.00 3.14 H new ATOM 0 HB2 PRO A 50 0.360 21.110 -6.794 1.00 54.21 H new ATOM 0 HB3 PRO A 50 0.102 22.326 -5.559 1.00 54.21 H new ATOM 0 HG2 PRO A 50 1.937 22.411 -7.946 1.00 54.15 H new ATOM 0 HG3 PRO A 50 0.891 23.669 -7.316 1.00 54.15 H new ATOM 0 HD2 PRO A 50 3.565 23.646 -6.800 1.00 62.13 H new ATOM 0 HD3 PRO A 50 2.415 24.288 -5.644 1.00 62.13 H new ATOM 134 N LEU A 51 3.581 20.058 -6.712 1.00 2.33 N ATOM 135 CA LEU A 51 4.172 18.908 -7.388 1.00 2.03 C ATOM 136 C LEU A 51 4.394 17.757 -6.412 1.00 2.22 C ATOM 137 O LEU A 51 4.206 16.589 -6.757 1.00 72.04 O ATOM 138 CB LEU A 51 5.498 19.301 -8.041 1.00 3.34 C ATOM 139 CG LEU A 51 5.399 19.957 -9.419 1.00 63.35 C ATOM 140 CD1 LEU A 51 6.202 21.249 -9.453 1.00 4.54 C ATOM 141 CD2 LEU A 51 5.878 19.000 -10.501 1.00 72.44 C ATOM 0 H LEU A 51 4.085 20.934 -6.851 1.00 2.33 H new ATOM 0 HA LEU A 51 3.478 18.576 -8.160 1.00 2.03 H new ATOM 0 HB2 LEU A 51 6.021 19.984 -7.372 1.00 3.34 H new ATOM 0 HB3 LEU A 51 6.115 18.407 -8.130 1.00 3.34 H new ATOM 0 HG LEU A 51 4.354 20.197 -9.612 1.00 63.35 H new ATOM 0 HD11 LEU A 51 6.120 21.702 -10.441 1.00 4.54 H new ATOM 0 HD12 LEU A 51 5.813 21.939 -8.704 1.00 4.54 H new ATOM 0 HD13 LEU A 51 7.249 21.033 -9.239 1.00 4.54 H new ATOM 0 HD21 LEU A 51 5.800 19.484 -11.475 1.00 72.44 H new ATOM 0 HD22 LEU A 51 6.917 18.728 -10.313 1.00 72.44 H new ATOM 0 HD23 LEU A 51 5.260 18.102 -10.492 1.00 72.44 H new ATOM 153 N THR A 52 4.793 18.094 -5.189 1.00 40.31 N ATOM 154 CA THR A 52 5.039 17.090 -4.161 1.00 33.10 C ATOM 155 C THR A 52 3.848 16.149 -4.015 1.00 54.21 C ATOM 156 O THR A 52 4.011 14.971 -3.698 1.00 10.13 O ATOM 157 CB THR A 52 5.334 17.742 -2.798 1.00 50.32 C ATOM 158 OG1 THR A 52 6.452 18.630 -2.911 1.00 23.15 O ATOM 159 CG2 THR A 52 5.623 16.685 -1.743 1.00 72.21 C ATOM 0 H THR A 52 4.953 19.055 -4.886 1.00 40.31 H new ATOM 0 HA THR A 52 5.912 16.520 -4.479 1.00 33.10 H new ATOM 0 HB THR A 52 4.453 18.306 -2.492 1.00 50.32 H new ATOM 0 HG1 THR A 52 7.244 18.125 -3.189 1.00 23.15 H new ATOM 0 HG21 THR A 52 5.828 17.170 -0.789 1.00 72.21 H new ATOM 0 HG22 THR A 52 4.758 16.030 -1.638 1.00 72.21 H new ATOM 0 HG23 THR A 52 6.490 16.097 -2.045 1.00 72.21 H new ATOM 167 N SER A 53 2.651 16.678 -4.248 1.00 10.55 N ATOM 168 CA SER A 53 1.431 15.885 -4.139 1.00 32.52 C ATOM 169 C SER A 53 1.375 14.821 -5.232 1.00 30.10 C ATOM 170 O SER A 53 1.279 13.627 -4.946 1.00 54.31 O ATOM 171 CB SER A 53 0.200 16.789 -4.227 1.00 22.43 C ATOM 172 OG SER A 53 -0.942 16.149 -3.686 1.00 62.44 O ATOM 0 H SER A 53 2.500 17.651 -4.513 1.00 10.55 H new ATOM 0 HA SER A 53 1.437 15.386 -3.170 1.00 32.52 H new ATOM 0 HB2 SER A 53 0.388 17.719 -3.690 1.00 22.43 H new ATOM 0 HB3 SER A 53 0.013 17.054 -5.268 1.00 22.43 H new ATOM 0 HG SER A 53 -1.715 16.748 -3.752 1.00 62.44 H new ATOM 178 N ILE A 54 1.437 15.264 -6.483 1.00 4.31 N ATOM 179 CA ILE A 54 1.394 14.352 -7.619 1.00 43.40 C ATOM 180 C ILE A 54 2.421 13.236 -7.466 1.00 21.23 C ATOM 181 O ILE A 54 2.122 12.065 -7.707 1.00 63.31 O ATOM 182 CB ILE A 54 1.649 15.091 -8.946 1.00 65.22 C ATOM 183 CG1 ILE A 54 0.610 16.196 -9.147 1.00 62.34 C ATOM 184 CG2 ILE A 54 1.624 14.113 -10.111 1.00 64.35 C ATOM 185 CD1 ILE A 54 0.905 17.095 -10.326 1.00 12.21 C ATOM 0 H ILE A 54 1.517 16.249 -6.736 1.00 4.31 H new ATOM 0 HA ILE A 54 0.393 13.922 -7.640 1.00 43.40 H new ATOM 0 HB ILE A 54 2.637 15.550 -8.905 1.00 65.22 H new ATOM 0 HG12 ILE A 54 -0.371 15.741 -9.284 1.00 62.34 H new ATOM 0 HG13 ILE A 54 0.557 16.802 -8.243 1.00 62.34 H new ATOM 0 HG21 ILE A 54 1.806 14.651 -11.041 1.00 64.35 H new ATOM 0 HG22 ILE A 54 2.399 13.359 -9.970 1.00 64.35 H new ATOM 0 HG23 ILE A 54 0.649 13.627 -10.157 1.00 64.35 H new ATOM 0 HD11 ILE A 54 0.128 17.855 -10.408 1.00 12.21 H new ATOM 0 HD12 ILE A 54 1.871 17.579 -10.182 1.00 12.21 H new ATOM 0 HD13 ILE A 54 0.929 16.501 -11.239 1.00 12.21 H new ATOM 197 N ILE A 55 3.632 13.604 -7.063 1.00 62.23 N ATOM 198 CA ILE A 55 4.703 12.634 -6.875 1.00 63.40 C ATOM 199 C ILE A 55 4.401 11.701 -5.708 1.00 44.05 C ATOM 200 O ILE A 55 4.585 10.488 -5.805 1.00 23.42 O ATOM 201 CB ILE A 55 6.055 13.328 -6.626 1.00 61.03 C ATOM 202 CG1 ILE A 55 6.351 14.332 -7.743 1.00 64.52 C ATOM 203 CG2 ILE A 55 7.170 12.297 -6.525 1.00 5.30 C ATOM 204 CD1 ILE A 55 6.525 13.691 -9.102 1.00 64.10 C ATOM 0 H ILE A 55 3.896 14.568 -6.860 1.00 62.23 H new ATOM 0 HA ILE A 55 4.767 12.053 -7.795 1.00 63.40 H new ATOM 0 HB ILE A 55 6.000 13.869 -5.681 1.00 61.03 H new ATOM 0 HG12 ILE A 55 5.538 15.057 -7.794 1.00 64.52 H new ATOM 0 HG13 ILE A 55 7.256 14.885 -7.493 1.00 64.52 H new ATOM 0 HG21 ILE A 55 8.119 12.803 -6.349 1.00 5.30 H new ATOM 0 HG22 ILE A 55 6.963 11.617 -5.699 1.00 5.30 H new ATOM 0 HG23 ILE A 55 7.228 11.731 -7.455 1.00 5.30 H new ATOM 0 HD11 ILE A 55 6.732 14.462 -9.844 1.00 64.10 H new ATOM 0 HD12 ILE A 55 7.356 12.987 -9.068 1.00 64.10 H new ATOM 0 HD13 ILE A 55 5.612 13.161 -9.374 1.00 64.10 H new ATOM 216 N SER A 56 3.934 12.276 -4.604 1.00 23.54 N ATOM 217 CA SER A 56 3.607 11.496 -3.415 1.00 32.23 C ATOM 218 C SER A 56 2.503 10.487 -3.713 1.00 14.43 C ATOM 219 O SER A 56 2.558 9.341 -3.271 1.00 1.14 O ATOM 220 CB SER A 56 3.175 12.421 -2.275 1.00 30.14 C ATOM 221 OG SER A 56 1.881 12.949 -2.511 1.00 72.21 O ATOM 0 H SER A 56 3.774 13.279 -4.508 1.00 23.54 H new ATOM 0 HA SER A 56 4.501 10.951 -3.112 1.00 32.23 H new ATOM 0 HB2 SER A 56 3.181 11.871 -1.334 1.00 30.14 H new ATOM 0 HB3 SER A 56 3.891 13.236 -2.172 1.00 30.14 H new ATOM 0 HG SER A 56 1.800 13.208 -3.453 1.00 72.21 H new ATOM 227 N ALA A 57 1.500 10.924 -4.469 1.00 4.12 N ATOM 228 CA ALA A 57 0.382 10.060 -4.829 1.00 71.12 C ATOM 229 C ALA A 57 0.847 8.896 -5.698 1.00 25.32 C ATOM 230 O ALA A 57 0.499 7.742 -5.445 1.00 12.31 O ATOM 231 CB ALA A 57 -0.693 10.861 -5.547 1.00 4.33 C ATOM 0 H ALA A 57 1.439 11.871 -4.844 1.00 4.12 H new ATOM 0 HA ALA A 57 -0.039 9.649 -3.911 1.00 71.12 H new ATOM 0 HB1 ALA A 57 -1.522 10.204 -5.810 1.00 4.33 H new ATOM 0 HB2 ALA A 57 -1.053 11.655 -4.893 1.00 4.33 H new ATOM 0 HB3 ALA A 57 -0.276 11.299 -6.454 1.00 4.33 H new ATOM 237 N VAL A 58 1.633 9.207 -6.723 1.00 30.25 N ATOM 238 CA VAL A 58 2.146 8.186 -7.630 1.00 22.22 C ATOM 239 C VAL A 58 2.879 7.089 -6.865 1.00 10.13 C ATOM 240 O VAL A 58 2.703 5.902 -7.140 1.00 51.04 O ATOM 241 CB VAL A 58 3.100 8.792 -8.676 1.00 11.52 C ATOM 242 CG1 VAL A 58 3.693 7.701 -9.553 1.00 14.22 C ATOM 243 CG2 VAL A 58 2.374 9.830 -9.519 1.00 1.24 C ATOM 0 H VAL A 58 1.929 10.157 -6.947 1.00 30.25 H new ATOM 0 HA VAL A 58 1.285 7.756 -8.141 1.00 22.22 H new ATOM 0 HB VAL A 58 3.918 9.288 -8.153 1.00 11.52 H new ATOM 0 HG11 VAL A 58 4.364 8.148 -10.286 1.00 14.22 H new ATOM 0 HG12 VAL A 58 4.249 6.998 -8.933 1.00 14.22 H new ATOM 0 HG13 VAL A 58 2.891 7.174 -10.070 1.00 14.22 H new ATOM 0 HG21 VAL A 58 3.062 10.249 -10.253 1.00 1.24 H new ATOM 0 HG22 VAL A 58 1.536 9.359 -10.034 1.00 1.24 H new ATOM 0 HG23 VAL A 58 2.002 10.627 -8.875 1.00 1.24 H new ATOM 253 N VAL A 59 3.702 7.495 -5.904 1.00 32.54 N ATOM 254 CA VAL A 59 4.462 6.547 -5.097 1.00 5.44 C ATOM 255 C VAL A 59 3.534 5.623 -4.316 1.00 71.32 C ATOM 256 O VAL A 59 3.715 4.407 -4.306 1.00 73.54 O ATOM 257 CB VAL A 59 5.397 7.272 -4.110 1.00 15.32 C ATOM 258 CG1 VAL A 59 6.131 6.268 -3.236 1.00 43.15 C ATOM 259 CG2 VAL A 59 6.380 8.157 -4.862 1.00 31.51 C ATOM 0 H VAL A 59 3.860 8.474 -5.665 1.00 32.54 H new ATOM 0 HA VAL A 59 5.064 5.955 -5.787 1.00 5.44 H new ATOM 0 HB VAL A 59 4.793 7.908 -3.462 1.00 15.32 H new ATOM 0 HG11 VAL A 59 6.787 6.798 -2.545 1.00 43.15 H new ATOM 0 HG12 VAL A 59 5.408 5.680 -2.671 1.00 43.15 H new ATOM 0 HG13 VAL A 59 6.726 5.605 -3.864 1.00 43.15 H new ATOM 0 HG21 VAL A 59 7.033 8.662 -4.150 1.00 31.51 H new ATOM 0 HG22 VAL A 59 6.981 7.544 -5.534 1.00 31.51 H new ATOM 0 HG23 VAL A 59 5.831 8.900 -5.441 1.00 31.51 H new ATOM 269 N GLY A 60 2.537 6.211 -3.661 1.00 2.21 N ATOM 270 CA GLY A 60 1.595 5.427 -2.885 1.00 1.35 C ATOM 271 C GLY A 60 0.851 4.412 -3.730 1.00 20.35 C ATOM 272 O GLY A 60 0.782 3.233 -3.381 1.00 72.34 O ATOM 0 H GLY A 60 2.365 7.216 -3.654 1.00 2.21 H new ATOM 0 HA2 GLY A 60 2.128 4.910 -2.087 1.00 1.35 H new ATOM 0 HA3 GLY A 60 0.877 6.095 -2.409 1.00 1.35 H new ATOM 276 N ILE A 61 0.291 4.869 -4.845 1.00 45.33 N ATOM 277 CA ILE A 61 -0.452 3.992 -5.741 1.00 54.52 C ATOM 278 C ILE A 61 0.457 2.930 -6.350 1.00 71.02 C ATOM 279 O ILE A 61 0.031 1.802 -6.599 1.00 14.42 O ATOM 280 CB ILE A 61 -1.124 4.788 -6.877 1.00 72.31 C ATOM 281 CG1 ILE A 61 -2.037 5.871 -6.299 1.00 33.12 C ATOM 282 CG2 ILE A 61 -1.911 3.854 -7.785 1.00 21.54 C ATOM 283 CD1 ILE A 61 -2.582 6.821 -7.342 1.00 33.30 C ATOM 0 H ILE A 61 0.338 5.841 -5.149 1.00 45.33 H new ATOM 0 HA ILE A 61 -1.222 3.507 -5.141 1.00 54.52 H new ATOM 0 HB ILE A 61 -0.348 5.271 -7.470 1.00 72.31 H new ATOM 0 HG12 ILE A 61 -2.870 5.395 -5.782 1.00 33.12 H new ATOM 0 HG13 ILE A 61 -1.484 6.442 -5.553 1.00 33.12 H new ATOM 0 HG21 ILE A 61 -2.380 4.431 -8.582 1.00 21.54 H new ATOM 0 HG22 ILE A 61 -1.237 3.116 -8.219 1.00 21.54 H new ATOM 0 HG23 ILE A 61 -2.681 3.345 -7.205 1.00 21.54 H new ATOM 0 HD11 ILE A 61 -3.221 7.562 -6.861 1.00 33.30 H new ATOM 0 HD12 ILE A 61 -1.755 7.325 -7.843 1.00 33.30 H new ATOM 0 HD13 ILE A 61 -3.163 6.262 -8.075 1.00 33.30 H new ATOM 295 N LEU A 62 1.712 3.297 -6.584 1.00 73.34 N ATOM 296 CA LEU A 62 2.684 2.374 -7.160 1.00 52.04 C ATOM 297 C LEU A 62 3.041 1.270 -6.171 1.00 2.12 C ATOM 298 O LEU A 62 3.020 0.087 -6.511 1.00 22.44 O ATOM 299 CB LEU A 62 3.948 3.129 -7.578 1.00 23.15 C ATOM 300 CG LEU A 62 4.947 2.344 -8.428 1.00 61.43 C ATOM 301 CD1 LEU A 62 5.306 3.123 -9.684 1.00 15.12 C ATOM 302 CD2 LEU A 62 6.198 2.025 -7.622 1.00 63.12 C ATOM 0 H LEU A 62 2.081 4.227 -6.384 1.00 73.34 H new ATOM 0 HA LEU A 62 2.234 1.915 -8.040 1.00 52.04 H new ATOM 0 HB2 LEU A 62 3.649 4.019 -8.133 1.00 23.15 H new ATOM 0 HB3 LEU A 62 4.458 3.471 -6.677 1.00 23.15 H new ATOM 0 HG LEU A 62 4.482 1.405 -8.727 1.00 61.43 H new ATOM 0 HD11 LEU A 62 6.018 2.549 -10.277 1.00 15.12 H new ATOM 0 HD12 LEU A 62 4.405 3.301 -10.271 1.00 15.12 H new ATOM 0 HD13 LEU A 62 5.752 4.078 -9.405 1.00 15.12 H new ATOM 0 HD21 LEU A 62 6.898 1.466 -8.243 1.00 63.12 H new ATOM 0 HD22 LEU A 62 6.666 2.953 -7.293 1.00 63.12 H new ATOM 0 HD23 LEU A 62 5.927 1.427 -6.752 1.00 63.12 H new ATOM 314 N LEU A 63 3.365 1.665 -4.944 1.00 24.44 N ATOM 315 CA LEU A 63 3.725 0.707 -3.903 1.00 51.51 C ATOM 316 C LEU A 63 2.598 -0.295 -3.673 1.00 21.33 C ATOM 317 O LEU A 63 2.843 -1.481 -3.452 1.00 33.40 O ATOM 318 CB LEU A 63 4.045 1.439 -2.599 1.00 44.05 C ATOM 319 CG LEU A 63 5.151 0.826 -1.739 1.00 42.14 C ATOM 320 CD1 LEU A 63 5.539 1.772 -0.614 1.00 40.32 C ATOM 321 CD2 LEU A 63 4.707 -0.518 -1.179 1.00 54.54 C ATOM 0 H LEU A 63 3.386 2.640 -4.646 1.00 24.44 H new ATOM 0 HA LEU A 63 4.609 0.162 -4.234 1.00 51.51 H new ATOM 0 HB2 LEU A 63 4.326 2.464 -2.841 1.00 44.05 H new ATOM 0 HB3 LEU A 63 3.135 1.491 -2.002 1.00 44.05 H new ATOM 0 HG LEU A 63 6.027 0.664 -2.368 1.00 42.14 H new ATOM 0 HD11 LEU A 63 6.327 1.319 -0.013 1.00 40.32 H new ATOM 0 HD12 LEU A 63 5.899 2.711 -1.036 1.00 40.32 H new ATOM 0 HD13 LEU A 63 4.670 1.966 0.014 1.00 40.32 H new ATOM 0 HD21 LEU A 63 5.506 -0.940 -0.570 1.00 54.54 H new ATOM 0 HD22 LEU A 63 3.817 -0.380 -0.565 1.00 54.54 H new ATOM 0 HD23 LEU A 63 4.480 -1.197 -2.001 1.00 54.54 H new ATOM 333 N VAL A 64 1.361 0.189 -3.727 1.00 35.21 N ATOM 334 CA VAL A 64 0.197 -0.664 -3.528 1.00 3.41 C ATOM 335 C VAL A 64 0.105 -1.731 -4.613 1.00 22.11 C ATOM 336 O VAL A 64 0.097 -2.928 -4.324 1.00 64.34 O ATOM 337 CB VAL A 64 -1.107 0.157 -3.518 1.00 14.44 C ATOM 338 CG1 VAL A 64 -2.311 -0.755 -3.345 1.00 11.41 C ATOM 339 CG2 VAL A 64 -1.064 1.212 -2.424 1.00 24.32 C ATOM 0 H VAL A 64 1.140 1.168 -3.907 1.00 35.21 H new ATOM 0 HA VAL A 64 0.321 -1.146 -2.558 1.00 3.41 H new ATOM 0 HB VAL A 64 -1.203 0.666 -4.477 1.00 14.44 H new ATOM 0 HG11 VAL A 64 -3.222 -0.157 -3.340 1.00 11.41 H new ATOM 0 HG12 VAL A 64 -2.349 -1.468 -4.169 1.00 11.41 H new ATOM 0 HG13 VAL A 64 -2.226 -1.295 -2.402 1.00 11.41 H new ATOM 0 HG21 VAL A 64 -1.993 1.782 -2.432 1.00 24.32 H new ATOM 0 HG22 VAL A 64 -0.944 0.727 -1.455 1.00 24.32 H new ATOM 0 HG23 VAL A 64 -0.224 1.884 -2.600 1.00 24.32 H new ATOM 349 N VAL A 65 0.036 -1.289 -5.865 1.00 22.21 N ATOM 350 CA VAL A 65 -0.054 -2.207 -6.995 1.00 72.55 C ATOM 351 C VAL A 65 1.059 -3.247 -6.948 1.00 65.41 C ATOM 352 O VAL A 65 0.812 -4.444 -7.100 1.00 50.35 O ATOM 353 CB VAL A 65 0.021 -1.453 -8.336 1.00 31.01 C ATOM 354 CG1 VAL A 65 -0.092 -2.423 -9.501 1.00 12.05 C ATOM 355 CG2 VAL A 65 -1.066 -0.390 -8.410 1.00 34.21 C ATOM 0 H VAL A 65 0.041 -0.302 -6.122 1.00 22.21 H new ATOM 0 HA VAL A 65 -1.019 -2.708 -6.920 1.00 72.55 H new ATOM 0 HB VAL A 65 0.989 -0.957 -8.400 1.00 31.01 H new ATOM 0 HG11 VAL A 65 -0.037 -1.872 -10.440 1.00 12.05 H new ATOM 0 HG12 VAL A 65 0.724 -3.144 -9.455 1.00 12.05 H new ATOM 0 HG13 VAL A 65 -1.045 -2.950 -9.445 1.00 12.05 H new ATOM 0 HG21 VAL A 65 -0.999 0.133 -9.364 1.00 34.21 H new ATOM 0 HG22 VAL A 65 -2.044 -0.863 -8.324 1.00 34.21 H new ATOM 0 HG23 VAL A 65 -0.935 0.322 -7.595 1.00 34.21 H new ATOM 365 N VAL A 66 2.287 -2.784 -6.733 1.00 14.43 N ATOM 366 CA VAL A 66 3.438 -3.676 -6.664 1.00 75.14 C ATOM 367 C VAL A 66 3.244 -4.743 -5.593 1.00 54.52 C ATOM 368 O VAL A 66 3.627 -5.899 -5.776 1.00 45.52 O ATOM 369 CB VAL A 66 4.734 -2.897 -6.367 1.00 55.31 C ATOM 370 CG1 VAL A 66 5.917 -3.848 -6.265 1.00 54.33 C ATOM 371 CG2 VAL A 66 4.977 -1.842 -7.436 1.00 74.41 C ATOM 0 H VAL A 66 2.510 -1.797 -6.604 1.00 14.43 H new ATOM 0 HA VAL A 66 3.525 -4.156 -7.639 1.00 75.14 H new ATOM 0 HB VAL A 66 4.622 -2.391 -5.408 1.00 55.31 H new ATOM 0 HG11 VAL A 66 6.823 -3.280 -6.055 1.00 54.33 H new ATOM 0 HG12 VAL A 66 5.742 -4.562 -5.460 1.00 54.33 H new ATOM 0 HG13 VAL A 66 6.035 -4.384 -7.207 1.00 54.33 H new ATOM 0 HG21 VAL A 66 5.896 -1.301 -7.211 1.00 74.41 H new ATOM 0 HG22 VAL A 66 5.069 -2.324 -8.409 1.00 74.41 H new ATOM 0 HG23 VAL A 66 4.140 -1.144 -7.455 1.00 74.41 H new ATOM 381 N LEU A 67 2.645 -4.348 -4.475 1.00 25.35 N ATOM 382 CA LEU A 67 2.398 -5.271 -3.372 1.00 31.02 C ATOM 383 C LEU A 67 1.426 -6.370 -3.789 1.00 1.33 C ATOM 384 O LEU A 67 1.687 -7.555 -3.585 1.00 41.14 O ATOM 385 CB LEU A 67 1.844 -4.516 -2.163 1.00 20.05 C ATOM 386 CG LEU A 67 2.237 -5.065 -0.791 1.00 11.03 C ATOM 387 CD1 LEU A 67 1.786 -6.510 -0.645 1.00 5.32 C ATOM 388 CD2 LEU A 67 3.740 -4.949 -0.580 1.00 13.35 C ATOM 0 H LEU A 67 2.321 -3.395 -4.308 1.00 25.35 H new ATOM 0 HA LEU A 67 3.346 -5.734 -3.099 1.00 31.02 H new ATOM 0 HB2 LEU A 67 2.174 -3.479 -2.225 1.00 20.05 H new ATOM 0 HB3 LEU A 67 0.756 -4.509 -2.231 1.00 20.05 H new ATOM 0 HG LEU A 67 1.736 -4.471 -0.026 1.00 11.03 H new ATOM 0 HD11 LEU A 67 2.074 -6.884 0.338 1.00 5.32 H new ATOM 0 HD12 LEU A 67 0.703 -6.565 -0.751 1.00 5.32 H new ATOM 0 HD13 LEU A 67 2.257 -7.118 -1.417 1.00 5.32 H new ATOM 0 HD21 LEU A 67 4.001 -5.345 0.402 1.00 13.35 H new ATOM 0 HD22 LEU A 67 4.261 -5.518 -1.351 1.00 13.35 H new ATOM 0 HD23 LEU A 67 4.036 -3.902 -0.640 1.00 13.35 H new ATOM 400 N GLY A 68 0.304 -5.968 -4.379 1.00 21.41 N ATOM 401 CA GLY A 68 -0.690 -6.930 -4.819 1.00 65.25 C ATOM 402 C GLY A 68 -0.117 -7.960 -5.772 1.00 25.33 C ATOM 403 O GLY A 68 -0.394 -9.154 -5.648 1.00 60.24 O ATOM 0 H GLY A 68 0.066 -4.993 -4.560 1.00 21.41 H new ATOM 0 HA2 GLY A 68 -1.110 -7.437 -3.950 1.00 65.25 H new ATOM 0 HA3 GLY A 68 -1.510 -6.403 -5.308 1.00 65.25 H new ATOM 407 N VAL A 69 0.683 -7.499 -6.728 1.00 14.11 N ATOM 408 CA VAL A 69 1.295 -8.389 -7.707 1.00 75.23 C ATOM 409 C VAL A 69 2.170 -9.436 -7.027 1.00 34.03 C ATOM 410 O VAL A 69 2.065 -10.628 -7.313 1.00 35.15 O ATOM 411 CB VAL A 69 2.148 -7.604 -8.722 1.00 43.10 C ATOM 412 CG1 VAL A 69 2.829 -8.555 -9.695 1.00 11.13 C ATOM 413 CG2 VAL A 69 1.291 -6.591 -9.466 1.00 71.43 C ATOM 0 H VAL A 69 0.922 -6.514 -6.845 1.00 14.11 H new ATOM 0 HA VAL A 69 0.481 -8.887 -8.234 1.00 75.23 H new ATOM 0 HB VAL A 69 2.922 -7.062 -8.179 1.00 43.10 H new ATOM 0 HG11 VAL A 69 3.427 -7.983 -10.404 1.00 11.13 H new ATOM 0 HG12 VAL A 69 3.475 -9.238 -9.144 1.00 11.13 H new ATOM 0 HG13 VAL A 69 2.073 -9.126 -10.235 1.00 11.13 H new ATOM 0 HG21 VAL A 69 1.909 -6.045 -10.179 1.00 71.43 H new ATOM 0 HG22 VAL A 69 0.494 -7.110 -9.999 1.00 71.43 H new ATOM 0 HG23 VAL A 69 0.854 -5.891 -8.754 1.00 71.43 H new ATOM 423 N VAL A 70 3.032 -8.983 -6.123 1.00 54.42 N ATOM 424 CA VAL A 70 3.925 -9.880 -5.400 1.00 42.41 C ATOM 425 C VAL A 70 3.139 -10.948 -4.647 1.00 44.44 C ATOM 426 O VAL A 70 3.383 -12.143 -4.808 1.00 22.53 O ATOM 427 CB VAL A 70 4.809 -9.109 -4.401 1.00 11.42 C ATOM 428 CG1 VAL A 70 5.794 -10.048 -3.724 1.00 45.21 C ATOM 429 CG2 VAL A 70 5.538 -7.974 -5.103 1.00 71.04 C ATOM 0 H VAL A 70 3.131 -7.999 -5.874 1.00 54.42 H new ATOM 0 HA VAL A 70 4.563 -10.358 -6.144 1.00 42.41 H new ATOM 0 HB VAL A 70 4.168 -8.679 -3.632 1.00 11.42 H new ATOM 0 HG11 VAL A 70 6.410 -9.485 -3.022 1.00 45.21 H new ATOM 0 HG12 VAL A 70 5.247 -10.823 -3.187 1.00 45.21 H new ATOM 0 HG13 VAL A 70 6.432 -10.510 -4.477 1.00 45.21 H new ATOM 0 HG21 VAL A 70 6.158 -7.440 -4.383 1.00 71.04 H new ATOM 0 HG22 VAL A 70 6.169 -8.381 -5.894 1.00 71.04 H new ATOM 0 HG23 VAL A 70 4.811 -7.287 -5.536 1.00 71.04 H new ATOM 439 N PHE A 71 2.192 -10.508 -3.824 1.00 60.24 N ATOM 440 CA PHE A 71 1.370 -11.426 -3.045 1.00 55.44 C ATOM 441 C PHE A 71 0.749 -12.493 -3.941 1.00 30.30 C ATOM 442 O PHE A 71 0.884 -13.689 -3.685 1.00 10.20 O ATOM 443 CB PHE A 71 0.269 -10.658 -2.309 1.00 14.52 C ATOM 444 CG PHE A 71 -0.306 -11.407 -1.142 1.00 43.11 C ATOM 445 CD1 PHE A 71 0.522 -11.954 -0.176 1.00 74.44 C ATOM 446 CD2 PHE A 71 -1.677 -11.564 -1.010 1.00 4.23 C ATOM 447 CE1 PHE A 71 -0.004 -12.644 0.899 1.00 21.22 C ATOM 448 CE2 PHE A 71 -2.210 -12.253 0.063 1.00 73.50 C ATOM 449 CZ PHE A 71 -1.373 -12.793 1.019 1.00 71.41 C ATOM 0 H PHE A 71 1.975 -9.522 -3.680 1.00 60.24 H new ATOM 0 HA PHE A 71 2.011 -11.918 -2.314 1.00 55.44 H new ATOM 0 HB2 PHE A 71 0.672 -9.708 -1.958 1.00 14.52 H new ATOM 0 HB3 PHE A 71 -0.532 -10.425 -3.011 1.00 14.52 H new ATOM 0 HD1 PHE A 71 1.592 -11.840 -0.264 1.00 74.44 H new ATOM 0 HD2 PHE A 71 -2.336 -11.143 -1.754 1.00 4.23 H new ATOM 0 HE1 PHE A 71 0.653 -13.066 1.645 1.00 21.22 H new ATOM 0 HE2 PHE A 71 -3.280 -12.369 0.154 1.00 73.50 H new ATOM 0 HZ PHE A 71 -1.787 -13.331 1.859 1.00 71.41 H new ATOM 459 N GLY A 72 0.067 -12.052 -4.994 1.00 64.05 N ATOM 460 CA GLY A 72 -0.565 -12.981 -5.911 1.00 13.54 C ATOM 461 C GLY A 72 0.394 -14.043 -6.413 1.00 3.32 C ATOM 462 O GLY A 72 0.153 -15.237 -6.238 1.00 22.43 O ATOM 0 H GLY A 72 -0.059 -11.067 -5.228 1.00 64.05 H new ATOM 0 HA2 GLY A 72 -1.407 -13.462 -5.413 1.00 13.54 H new ATOM 0 HA3 GLY A 72 -0.969 -12.430 -6.760 1.00 13.54 H new ATOM 466 N ILE A 73 1.481 -13.607 -7.040 1.00 62.42 N ATOM 467 CA ILE A 73 2.478 -14.529 -7.569 1.00 64.11 C ATOM 468 C ILE A 73 3.039 -15.423 -6.468 1.00 45.22 C ATOM 469 O ILE A 73 3.255 -16.618 -6.673 1.00 4.32 O ATOM 470 CB ILE A 73 3.640 -13.776 -8.243 1.00 2.40 C ATOM 471 CG1 ILE A 73 3.113 -12.895 -9.378 1.00 34.32 C ATOM 472 CG2 ILE A 73 4.676 -14.759 -8.766 1.00 11.12 C ATOM 473 CD1 ILE A 73 2.492 -13.678 -10.513 1.00 34.13 C ATOM 0 H ILE A 73 1.694 -12.621 -7.194 1.00 62.42 H new ATOM 0 HA ILE A 73 1.974 -15.145 -8.314 1.00 64.11 H new ATOM 0 HB ILE A 73 4.118 -13.136 -7.502 1.00 2.40 H new ATOM 0 HG12 ILE A 73 2.372 -12.204 -8.976 1.00 34.32 H new ATOM 0 HG13 ILE A 73 3.932 -12.292 -9.769 1.00 34.32 H new ATOM 0 HG21 ILE A 73 5.491 -14.211 -9.240 1.00 11.12 H new ATOM 0 HG22 ILE A 73 5.069 -15.349 -7.938 1.00 11.12 H new ATOM 0 HG23 ILE A 73 4.212 -15.422 -9.496 1.00 11.12 H new ATOM 0 HD11 ILE A 73 2.141 -12.989 -11.281 1.00 34.13 H new ATOM 0 HD12 ILE A 73 3.236 -14.350 -10.941 1.00 34.13 H new ATOM 0 HD13 ILE A 73 1.651 -14.260 -10.136 1.00 34.13 H new ATOM 834 N PRO B 150 14.501 17.782 -2.161 1.00 53.11 N ATOM 835 CA PRO B 150 14.426 16.398 -1.684 1.00 41.23 C ATOM 836 C PRO B 150 13.224 16.162 -0.775 1.00 14.31 C ATOM 837 O PRO B 150 12.830 15.021 -0.535 1.00 25.31 O ATOM 838 CB PRO B 150 15.729 16.222 -0.901 1.00 74.41 C ATOM 839 CG PRO B 150 16.103 17.600 -0.471 1.00 3.51 C ATOM 840 CD PRO B 150 15.629 18.517 -1.564 1.00 2.31 C ATOM 0 HA PRO B 150 14.306 15.691 -2.504 1.00 41.23 H new ATOM 0 HB2 PRO B 150 15.589 15.564 -0.043 1.00 74.41 H new ATOM 0 HB3 PRO B 150 16.506 15.776 -1.522 1.00 74.41 H new ATOM 0 HG2 PRO B 150 15.635 17.852 0.481 1.00 3.51 H new ATOM 0 HG3 PRO B 150 17.180 17.686 -0.329 1.00 3.51 H new ATOM 0 HD2 PRO B 150 15.315 19.483 -1.170 1.00 2.31 H new ATOM 0 HD3 PRO B 150 16.414 18.711 -2.295 1.00 2.31 H new ATOM 848 N LEU B 151 12.645 17.248 -0.274 1.00 10.52 N ATOM 849 CA LEU B 151 11.486 17.160 0.607 1.00 22.42 C ATOM 850 C LEU B 151 10.393 16.298 -0.016 1.00 1.32 C ATOM 851 O LEU B 151 9.728 15.523 0.674 1.00 32.44 O ATOM 852 CB LEU B 151 10.942 18.556 0.908 1.00 42.25 C ATOM 853 CG LEU B 151 11.637 19.320 2.036 1.00 31.44 C ATOM 854 CD1 LEU B 151 12.031 20.714 1.574 1.00 1.54 C ATOM 855 CD2 LEU B 151 10.739 19.397 3.262 1.00 12.34 C ATOM 0 H LEU B 151 12.959 18.200 -0.463 1.00 10.52 H new ATOM 0 HA LEU B 151 11.804 16.693 1.539 1.00 22.42 H new ATOM 0 HB2 LEU B 151 11.007 19.153 -0.002 1.00 42.25 H new ATOM 0 HB3 LEU B 151 9.884 18.466 1.155 1.00 42.25 H new ATOM 0 HG LEU B 151 12.544 18.780 2.308 1.00 31.44 H new ATOM 0 HD11 LEU B 151 12.524 21.242 2.390 1.00 1.54 H new ATOM 0 HD12 LEU B 151 12.713 20.637 0.727 1.00 1.54 H new ATOM 0 HD13 LEU B 151 11.139 21.263 1.273 1.00 1.54 H new ATOM 0 HD21 LEU B 151 11.251 19.944 4.054 1.00 12.34 H new ATOM 0 HD22 LEU B 151 9.814 19.913 3.004 1.00 12.34 H new ATOM 0 HD23 LEU B 151 10.508 18.389 3.608 1.00 12.34 H new ATOM 867 N THR B 152 10.211 16.436 -1.325 1.00 53.45 N ATOM 868 CA THR B 152 9.198 15.672 -2.042 1.00 34.25 C ATOM 869 C THR B 152 9.339 14.179 -1.764 1.00 32.32 C ATOM 870 O THR B 152 8.350 13.445 -1.747 1.00 62.35 O ATOM 871 CB THR B 152 9.286 15.909 -3.561 1.00 12.33 C ATOM 872 OG1 THR B 152 9.152 17.306 -3.847 1.00 70.30 O ATOM 873 CG2 THR B 152 8.202 15.132 -4.294 1.00 41.11 C ATOM 0 H THR B 152 10.753 17.071 -1.911 1.00 53.45 H new ATOM 0 HA THR B 152 8.228 16.017 -1.684 1.00 34.25 H new ATOM 0 HB THR B 152 10.259 15.558 -3.905 1.00 12.33 H new ATOM 0 HG1 THR B 152 9.211 17.449 -4.815 1.00 70.30 H new ATOM 0 HG21 THR B 152 8.284 15.315 -5.365 1.00 41.11 H new ATOM 0 HG22 THR B 152 8.322 14.067 -4.098 1.00 41.11 H new ATOM 0 HG23 THR B 152 7.222 15.457 -3.945 1.00 41.11 H new ATOM 881 N SER B 153 10.573 13.736 -1.547 1.00 51.32 N ATOM 882 CA SER B 153 10.843 12.329 -1.272 1.00 32.02 C ATOM 883 C SER B 153 10.263 11.918 0.078 1.00 12.42 C ATOM 884 O SER B 153 9.451 10.997 0.161 1.00 5.12 O ATOM 885 CB SER B 153 12.349 12.063 -1.295 1.00 14.14 C ATOM 886 OG SER B 153 12.621 10.685 -1.484 1.00 53.14 O ATOM 0 H SER B 153 11.402 14.331 -1.556 1.00 51.32 H new ATOM 0 HA SER B 153 10.364 11.734 -2.050 1.00 32.02 H new ATOM 0 HB2 SER B 153 12.811 12.641 -2.095 1.00 14.14 H new ATOM 0 HB3 SER B 153 12.795 12.400 -0.359 1.00 14.14 H new ATOM 0 HG SER B 153 13.590 10.542 -1.497 1.00 53.14 H new ATOM 892 N ILE B 154 10.687 12.608 1.131 1.00 75.01 N ATOM 893 CA ILE B 154 10.210 12.316 2.477 1.00 41.01 C ATOM 894 C ILE B 154 8.686 12.279 2.524 1.00 61.23 C ATOM 895 O ILE B 154 8.095 11.379 3.122 1.00 63.22 O ATOM 896 CB ILE B 154 10.718 13.356 3.492 1.00 23.21 C ATOM 897 CG1 ILE B 154 12.248 13.393 3.496 1.00 14.21 C ATOM 898 CG2 ILE B 154 10.188 13.042 4.883 1.00 30.02 C ATOM 899 CD1 ILE B 154 12.824 14.522 4.321 1.00 1.13 C ATOM 0 H ILE B 154 11.360 13.373 1.078 1.00 75.01 H new ATOM 0 HA ILE B 154 10.604 11.336 2.746 1.00 41.01 H new ATOM 0 HB ILE B 154 10.350 14.339 3.197 1.00 23.21 H new ATOM 0 HG12 ILE B 154 12.625 12.445 3.879 1.00 14.21 H new ATOM 0 HG13 ILE B 154 12.604 13.486 2.470 1.00 14.21 H new ATOM 0 HG21 ILE B 154 10.556 13.786 5.589 1.00 30.02 H new ATOM 0 HG22 ILE B 154 9.098 13.062 4.870 1.00 30.02 H new ATOM 0 HG23 ILE B 154 10.529 12.053 5.188 1.00 30.02 H new ATOM 0 HD11 ILE B 154 13.913 14.486 4.278 1.00 1.13 H new ATOM 0 HD12 ILE B 154 12.477 15.476 3.925 1.00 1.13 H new ATOM 0 HD13 ILE B 154 12.499 14.419 5.356 1.00 1.13 H new ATOM 911 N ILE B 155 8.056 13.260 1.888 1.00 71.43 N ATOM 912 CA ILE B 155 6.600 13.338 1.855 1.00 75.43 C ATOM 913 C ILE B 155 6.007 12.188 1.049 1.00 75.11 C ATOM 914 O ILE B 155 5.032 11.564 1.465 1.00 0.24 O ATOM 915 CB ILE B 155 6.122 14.673 1.253 1.00 1.33 C ATOM 916 CG1 ILE B 155 6.763 15.850 1.993 1.00 2.43 C ATOM 917 CG2 ILE B 155 4.605 14.765 1.312 1.00 55.44 C ATOM 918 CD1 ILE B 155 6.350 15.946 3.445 1.00 61.33 C ATOM 0 H ILE B 155 8.530 14.012 1.388 1.00 71.43 H new ATOM 0 HA ILE B 155 6.256 13.270 2.887 1.00 75.43 H new ATOM 0 HB ILE B 155 6.429 14.716 0.208 1.00 1.33 H new ATOM 0 HG12 ILE B 155 7.848 15.757 1.937 1.00 2.43 H new ATOM 0 HG13 ILE B 155 6.496 16.777 1.485 1.00 2.43 H new ATOM 0 HG21 ILE B 155 4.281 15.713 0.883 1.00 55.44 H new ATOM 0 HG22 ILE B 155 4.168 13.943 0.745 1.00 55.44 H new ATOM 0 HG23 ILE B 155 4.277 14.705 2.350 1.00 55.44 H new ATOM 0 HD11 ILE B 155 6.842 16.802 3.907 1.00 61.33 H new ATOM 0 HD12 ILE B 155 5.269 16.071 3.508 1.00 61.33 H new ATOM 0 HD13 ILE B 155 6.641 15.035 3.967 1.00 61.33 H new ATOM 930 N SER B 156 6.603 11.912 -0.107 1.00 62.45 N ATOM 931 CA SER B 156 6.133 10.838 -0.973 1.00 70.13 C ATOM 932 C SER B 156 6.223 9.490 -0.264 1.00 34.20 C ATOM 933 O SER B 156 5.321 8.661 -0.367 1.00 22.22 O ATOM 934 CB SER B 156 6.948 10.803 -2.267 1.00 31.52 C ATOM 935 OG SER B 156 8.251 10.296 -2.035 1.00 62.35 O ATOM 0 H SER B 156 7.413 12.418 -0.465 1.00 62.45 H new ATOM 0 HA SER B 156 5.088 11.032 -1.216 1.00 70.13 H new ATOM 0 HB2 SER B 156 6.439 10.183 -3.005 1.00 31.52 H new ATOM 0 HB3 SER B 156 7.014 11.807 -2.686 1.00 31.52 H new ATOM 0 HG SER B 156 8.599 10.661 -1.195 1.00 62.35 H new ATOM 941 N ALA B 157 7.322 9.279 0.454 1.00 21.11 N ATOM 942 CA ALA B 157 7.531 8.034 1.182 1.00 23.13 C ATOM 943 C ALA B 157 6.492 7.860 2.284 1.00 4.11 C ATOM 944 O ALA B 157 5.886 6.796 2.417 1.00 51.33 O ATOM 945 CB ALA B 157 8.935 7.994 1.767 1.00 0.33 C ATOM 0 H ALA B 157 8.081 9.954 0.547 1.00 21.11 H new ATOM 0 HA ALA B 157 7.418 7.209 0.479 1.00 23.13 H new ATOM 0 HB1 ALA B 157 9.077 7.059 2.308 1.00 0.33 H new ATOM 0 HB2 ALA B 157 9.667 8.062 0.962 1.00 0.33 H new ATOM 0 HB3 ALA B 157 9.068 8.832 2.451 1.00 0.33 H new ATOM 951 N VAL B 158 6.290 8.911 3.072 1.00 50.11 N ATOM 952 CA VAL B 158 5.323 8.874 4.163 1.00 34.12 C ATOM 953 C VAL B 158 3.943 8.466 3.660 1.00 2.20 C ATOM 954 O VAL B 158 3.259 7.654 4.282 1.00 63.41 O ATOM 955 CB VAL B 158 5.219 10.241 4.866 1.00 20.11 C ATOM 956 CG1 VAL B 158 4.143 10.208 5.940 1.00 3.32 C ATOM 957 CG2 VAL B 158 6.562 10.640 5.458 1.00 33.42 C ATOM 0 H VAL B 158 6.783 9.799 2.975 1.00 50.11 H new ATOM 0 HA VAL B 158 5.679 8.132 4.878 1.00 34.12 H new ATOM 0 HB VAL B 158 4.938 10.990 4.126 1.00 20.11 H new ATOM 0 HG11 VAL B 158 4.084 11.182 6.426 1.00 3.32 H new ATOM 0 HG12 VAL B 158 3.182 9.971 5.485 1.00 3.32 H new ATOM 0 HG13 VAL B 158 4.391 9.448 6.681 1.00 3.32 H new ATOM 0 HG21 VAL B 158 6.469 11.608 5.950 1.00 33.42 H new ATOM 0 HG22 VAL B 158 6.876 9.891 6.185 1.00 33.42 H new ATOM 0 HG23 VAL B 158 7.305 10.707 4.663 1.00 33.42 H new ATOM 967 N VAL B 159 3.540 9.036 2.529 1.00 4.21 N ATOM 968 CA VAL B 159 2.241 8.730 1.941 1.00 22.03 C ATOM 969 C VAL B 159 2.136 7.254 1.577 1.00 20.13 C ATOM 970 O VAL B 159 1.150 6.592 1.901 1.00 14.53 O ATOM 971 CB VAL B 159 1.982 9.577 0.681 1.00 72.14 C ATOM 972 CG1 VAL B 159 0.653 9.199 0.045 1.00 22.44 C ATOM 973 CG2 VAL B 159 2.016 11.060 1.020 1.00 2.41 C ATOM 0 H VAL B 159 4.094 9.711 2.002 1.00 4.21 H new ATOM 0 HA VAL B 159 1.489 8.970 2.693 1.00 22.03 H new ATOM 0 HB VAL B 159 2.773 9.373 -0.040 1.00 72.14 H new ATOM 0 HG11 VAL B 159 0.488 9.809 -0.844 1.00 22.44 H new ATOM 0 HG12 VAL B 159 0.670 8.146 -0.235 1.00 22.44 H new ATOM 0 HG13 VAL B 159 -0.154 9.371 0.758 1.00 22.44 H new ATOM 0 HG21 VAL B 159 1.831 11.644 0.118 1.00 2.41 H new ATOM 0 HG22 VAL B 159 1.247 11.282 1.760 1.00 2.41 H new ATOM 0 HG23 VAL B 159 2.994 11.318 1.425 1.00 2.41 H new ATOM 983 N GLY B 160 3.161 6.741 0.902 1.00 54.23 N ATOM 984 CA GLY B 160 3.165 5.345 0.505 1.00 54.40 C ATOM 985 C GLY B 160 3.097 4.406 1.692 1.00 21.33 C ATOM 986 O GLY B 160 2.286 3.478 1.712 1.00 71.12 O ATOM 0 H GLY B 160 3.989 7.268 0.623 1.00 54.23 H new ATOM 0 HA2 GLY B 160 2.318 5.155 -0.154 1.00 54.40 H new ATOM 0 HA3 GLY B 160 4.068 5.136 -0.069 1.00 54.40 H new ATOM 990 N ILE B 161 3.952 4.642 2.681 1.00 42.21 N ATOM 991 CA ILE B 161 3.985 3.808 3.876 1.00 41.14 C ATOM 992 C ILE B 161 2.682 3.918 4.661 1.00 40.44 C ATOM 993 O ILE B 161 2.244 2.959 5.297 1.00 33.35 O ATOM 994 CB ILE B 161 5.159 4.192 4.797 1.00 41.21 C ATOM 995 CG1 ILE B 161 6.483 4.099 4.037 1.00 15.01 C ATOM 996 CG2 ILE B 161 5.184 3.294 6.026 1.00 32.00 C ATOM 997 CD1 ILE B 161 7.664 4.646 4.810 1.00 2.35 C ATOM 0 H ILE B 161 4.631 5.403 2.679 1.00 42.21 H new ATOM 0 HA ILE B 161 4.117 2.780 3.539 1.00 41.14 H new ATOM 0 HB ILE B 161 5.021 5.222 5.126 1.00 41.21 H new ATOM 0 HG12 ILE B 161 6.676 3.056 3.785 1.00 15.01 H new ATOM 0 HG13 ILE B 161 6.392 4.642 3.096 1.00 15.01 H new ATOM 0 HG21 ILE B 161 6.019 3.578 6.667 1.00 32.00 H new ATOM 0 HG22 ILE B 161 4.250 3.405 6.577 1.00 32.00 H new ATOM 0 HG23 ILE B 161 5.301 2.256 5.716 1.00 32.00 H new ATOM 0 HD11 ILE B 161 8.569 4.547 4.210 1.00 2.35 H new ATOM 0 HD12 ILE B 161 7.493 5.698 5.039 1.00 2.35 H new ATOM 0 HD13 ILE B 161 7.782 4.087 5.738 1.00 2.35 H new ATOM 1009 N LEU B 162 2.065 5.094 4.610 1.00 10.25 N ATOM 1010 CA LEU B 162 0.809 5.330 5.314 1.00 12.04 C ATOM 1011 C LEU B 162 -0.333 4.553 4.666 1.00 62.23 C ATOM 1012 O LEU B 162 -1.091 3.860 5.346 1.00 14.22 O ATOM 1013 CB LEU B 162 0.482 6.823 5.327 1.00 63.05 C ATOM 1014 CG LEU B 162 -0.664 7.252 6.244 1.00 4.13 C ATOM 1015 CD1 LEU B 162 -0.224 8.388 7.154 1.00 63.41 C ATOM 1016 CD2 LEU B 162 -1.878 7.664 5.425 1.00 13.11 C ATOM 0 H LEU B 162 2.414 5.898 4.089 1.00 10.25 H new ATOM 0 HA LEU B 162 0.925 4.981 6.340 1.00 12.04 H new ATOM 0 HB2 LEU B 162 1.379 7.368 5.621 1.00 63.05 H new ATOM 0 HB3 LEU B 162 0.241 7.130 4.309 1.00 63.05 H new ATOM 0 HG LEU B 162 -0.942 6.401 6.866 1.00 4.13 H new ATOM 0 HD11 LEU B 162 -1.053 8.679 7.799 1.00 63.41 H new ATOM 0 HD12 LEU B 162 0.615 8.059 7.767 1.00 63.41 H new ATOM 0 HD13 LEU B 162 0.082 9.241 6.549 1.00 63.41 H new ATOM 0 HD21 LEU B 162 -2.683 7.966 6.095 1.00 13.11 H new ATOM 0 HD22 LEU B 162 -1.613 8.499 4.776 1.00 13.11 H new ATOM 0 HD23 LEU B 162 -2.209 6.823 4.816 1.00 13.11 H new ATOM 1028 N LEU B 163 -0.449 4.672 3.348 1.00 30.52 N ATOM 1029 CA LEU B 163 -1.497 3.979 2.607 1.00 1.11 C ATOM 1030 C LEU B 163 -1.406 2.470 2.816 1.00 52.14 C ATOM 1031 O LEU B 163 -2.423 1.787 2.933 1.00 51.14 O ATOM 1032 CB LEU B 163 -1.395 4.305 1.116 1.00 51.41 C ATOM 1033 CG LEU B 163 -2.720 4.407 0.359 1.00 1.41 C ATOM 1034 CD1 LEU B 163 -2.497 4.973 -1.034 1.00 12.33 C ATOM 1035 CD2 LEU B 163 -3.397 3.047 0.283 1.00 12.25 C ATOM 0 H LEU B 163 0.170 5.242 2.771 1.00 30.52 H new ATOM 0 HA LEU B 163 -2.461 4.322 2.983 1.00 1.11 H new ATOM 0 HB2 LEU B 163 -0.863 5.250 1.007 1.00 51.41 H new ATOM 0 HB3 LEU B 163 -0.784 3.539 0.638 1.00 51.41 H new ATOM 0 HG LEU B 163 -3.376 5.086 0.903 1.00 1.41 H new ATOM 0 HD11 LEU B 163 -3.451 5.038 -1.557 1.00 12.33 H new ATOM 0 HD12 LEU B 163 -2.057 5.967 -0.957 1.00 12.33 H new ATOM 0 HD13 LEU B 163 -1.823 4.320 -1.588 1.00 12.33 H new ATOM 0 HD21 LEU B 163 -4.338 3.139 -0.259 1.00 12.25 H new ATOM 0 HD22 LEU B 163 -2.746 2.345 -0.237 1.00 12.25 H new ATOM 0 HD23 LEU B 163 -3.593 2.681 1.291 1.00 12.25 H new ATOM 1047 N VAL B 164 -0.181 1.958 2.865 1.00 35.50 N ATOM 1048 CA VAL B 164 0.044 0.531 3.063 1.00 51.33 C ATOM 1049 C VAL B 164 -0.482 0.076 4.421 1.00 33.31 C ATOM 1050 O VAL B 164 -1.331 -0.811 4.504 1.00 40.15 O ATOM 1051 CB VAL B 164 1.539 0.178 2.960 1.00 15.25 C ATOM 1052 CG1 VAL B 164 1.756 -1.307 3.204 1.00 63.40 C ATOM 1053 CG2 VAL B 164 2.090 0.588 1.602 1.00 15.42 C ATOM 0 H VAL B 164 0.671 2.510 2.770 1.00 35.50 H new ATOM 0 HA VAL B 164 -0.499 0.012 2.273 1.00 51.33 H new ATOM 0 HB VAL B 164 2.078 0.731 3.729 1.00 15.25 H new ATOM 0 HG11 VAL B 164 2.819 -1.537 3.127 1.00 63.40 H new ATOM 0 HG12 VAL B 164 1.400 -1.568 4.201 1.00 63.40 H new ATOM 0 HG13 VAL B 164 1.205 -1.882 2.460 1.00 63.40 H new ATOM 0 HG21 VAL B 164 3.148 0.331 1.546 1.00 15.42 H new ATOM 0 HG22 VAL B 164 1.547 0.063 0.816 1.00 15.42 H new ATOM 0 HG23 VAL B 164 1.970 1.663 1.470 1.00 15.42 H new ATOM 1063 N VAL B 165 0.031 0.690 5.483 1.00 41.24 N ATOM 1064 CA VAL B 165 -0.387 0.350 6.837 1.00 24.42 C ATOM 1065 C VAL B 165 -1.905 0.399 6.973 1.00 31.24 C ATOM 1066 O VAL B 165 -2.523 -0.526 7.501 1.00 73.45 O ATOM 1067 CB VAL B 165 0.241 1.300 7.874 1.00 61.14 C ATOM 1068 CG1 VAL B 165 -0.194 0.919 9.281 1.00 34.32 C ATOM 1069 CG2 VAL B 165 1.757 1.293 7.754 1.00 24.33 C ATOM 0 H VAL B 165 0.736 1.425 5.431 1.00 41.24 H new ATOM 0 HA VAL B 165 -0.041 -0.666 7.029 1.00 24.42 H new ATOM 0 HB VAL B 165 -0.111 2.312 7.674 1.00 61.14 H new ATOM 0 HG11 VAL B 165 0.260 1.602 10.000 1.00 34.32 H new ATOM 0 HG12 VAL B 165 -1.280 0.982 9.356 1.00 34.32 H new ATOM 0 HG13 VAL B 165 0.126 -0.100 9.497 1.00 34.32 H new ATOM 0 HG21 VAL B 165 2.184 1.970 8.494 1.00 24.33 H new ATOM 0 HG22 VAL B 165 2.131 0.284 7.927 1.00 24.33 H new ATOM 0 HG23 VAL B 165 2.044 1.620 6.755 1.00 24.33 H new ATOM 1079 N VAL B 166 -2.502 1.485 6.492 1.00 73.01 N ATOM 1080 CA VAL B 166 -3.949 1.655 6.558 1.00 21.45 C ATOM 1081 C VAL B 166 -4.669 0.492 5.885 1.00 51.11 C ATOM 1082 O VAL B 166 -5.704 0.026 6.366 1.00 72.21 O ATOM 1083 CB VAL B 166 -4.390 2.972 5.892 1.00 32.44 C ATOM 1084 CG1 VAL B 166 -5.903 3.116 5.944 1.00 42.23 C ATOM 1085 CG2 VAL B 166 -3.710 4.158 6.558 1.00 55.11 C ATOM 0 H VAL B 166 -2.006 2.260 6.052 1.00 73.01 H new ATOM 0 HA VAL B 166 -4.217 1.683 7.614 1.00 21.45 H new ATOM 0 HB VAL B 166 -4.087 2.949 4.845 1.00 32.44 H new ATOM 0 HG11 VAL B 166 -6.196 4.052 5.469 1.00 42.23 H new ATOM 0 HG12 VAL B 166 -6.366 2.281 5.418 1.00 42.23 H new ATOM 0 HG13 VAL B 166 -6.233 3.118 6.983 1.00 42.23 H new ATOM 0 HG21 VAL B 166 -4.033 5.081 6.075 1.00 55.11 H new ATOM 0 HG22 VAL B 166 -3.980 4.187 7.614 1.00 55.11 H new ATOM 0 HG23 VAL B 166 -2.629 4.058 6.463 1.00 55.11 H new ATOM 1095 N LEU B 167 -4.117 0.026 4.771 1.00 54.10 N ATOM 1096 CA LEU B 167 -4.707 -1.085 4.030 1.00 64.11 C ATOM 1097 C LEU B 167 -4.684 -2.365 4.859 1.00 64.31 C ATOM 1098 O LEU B 167 -5.698 -3.048 4.995 1.00 55.55 O ATOM 1099 CB LEU B 167 -3.958 -1.302 2.715 1.00 71.41 C ATOM 1100 CG LEU B 167 -4.796 -1.803 1.540 1.00 54.42 C ATOM 1101 CD1 LEU B 167 -5.462 -3.126 1.884 1.00 42.12 C ATOM 1102 CD2 LEU B 167 -5.839 -0.766 1.148 1.00 51.01 C ATOM 0 H LEU B 167 -3.261 0.400 4.360 1.00 54.10 H new ATOM 0 HA LEU B 167 -5.745 -0.834 3.812 1.00 64.11 H new ATOM 0 HB2 LEU B 167 -3.491 -0.360 2.427 1.00 71.41 H new ATOM 0 HB3 LEU B 167 -3.154 -2.016 2.892 1.00 71.41 H new ATOM 0 HG LEU B 167 -4.134 -1.963 0.689 1.00 54.42 H new ATOM 0 HD11 LEU B 167 -6.054 -3.467 1.035 1.00 42.12 H new ATOM 0 HD12 LEU B 167 -4.698 -3.869 2.115 1.00 42.12 H new ATOM 0 HD13 LEU B 167 -6.111 -2.992 2.749 1.00 42.12 H new ATOM 0 HD21 LEU B 167 -6.427 -1.140 0.310 1.00 51.01 H new ATOM 0 HD22 LEU B 167 -6.497 -0.574 1.995 1.00 51.01 H new ATOM 0 HD23 LEU B 167 -5.341 0.159 0.858 1.00 51.01 H new ATOM 1114 N GLY B 168 -3.518 -2.684 5.416 1.00 54.24 N ATOM 1115 CA GLY B 168 -3.385 -3.879 6.226 1.00 42.23 C ATOM 1116 C GLY B 168 -4.374 -3.914 7.375 1.00 73.34 C ATOM 1117 O GLY B 168 -4.996 -4.944 7.638 1.00 50.05 O ATOM 0 H GLY B 168 -2.664 -2.135 5.320 1.00 54.24 H new ATOM 0 HA2 GLY B 168 -3.531 -4.758 5.598 1.00 42.23 H new ATOM 0 HA3 GLY B 168 -2.371 -3.935 6.622 1.00 42.23 H new ATOM 1121 N VAL B 169 -4.518 -2.785 8.064 1.00 10.44 N ATOM 1122 CA VAL B 169 -5.437 -2.690 9.191 1.00 4.44 C ATOM 1123 C VAL B 169 -6.868 -2.998 8.762 1.00 1.11 C ATOM 1124 O VAL B 169 -7.559 -3.797 9.393 1.00 25.41 O ATOM 1125 CB VAL B 169 -5.396 -1.291 9.833 1.00 24.12 C ATOM 1126 CG1 VAL B 169 -6.403 -1.195 10.969 1.00 50.03 C ATOM 1127 CG2 VAL B 169 -3.993 -0.973 10.325 1.00 74.42 C ATOM 0 H VAL B 169 -4.010 -1.924 7.861 1.00 10.44 H new ATOM 0 HA VAL B 169 -5.114 -3.428 9.925 1.00 4.44 H new ATOM 0 HB VAL B 169 -5.667 -0.554 9.077 1.00 24.12 H new ATOM 0 HG11 VAL B 169 -6.360 -0.199 11.411 1.00 50.03 H new ATOM 0 HG12 VAL B 169 -7.406 -1.377 10.583 1.00 50.03 H new ATOM 0 HG13 VAL B 169 -6.166 -1.940 11.729 1.00 50.03 H new ATOM 0 HG21 VAL B 169 -3.982 0.019 10.776 1.00 74.42 H new ATOM 0 HG22 VAL B 169 -3.691 -1.712 11.067 1.00 74.42 H new ATOM 0 HG23 VAL B 169 -3.299 -0.998 9.485 1.00 74.42 H new ATOM 1137 N VAL B 170 -7.306 -2.358 7.682 1.00 2.50 N ATOM 1138 CA VAL B 170 -8.655 -2.564 7.167 1.00 13.43 C ATOM 1139 C VAL B 170 -8.887 -4.026 6.804 1.00 21.23 C ATOM 1140 O VAL B 170 -9.844 -4.648 7.267 1.00 51.24 O ATOM 1141 CB VAL B 170 -8.921 -1.690 5.927 1.00 33.14 C ATOM 1142 CG1 VAL B 170 -10.358 -1.852 5.456 1.00 2.21 C ATOM 1143 CG2 VAL B 170 -8.611 -0.231 6.226 1.00 31.43 C ATOM 0 H VAL B 170 -6.747 -1.693 7.147 1.00 2.50 H new ATOM 0 HA VAL B 170 -9.345 -2.276 7.960 1.00 13.43 H new ATOM 0 HB VAL B 170 -8.262 -2.021 5.124 1.00 33.14 H new ATOM 0 HG11 VAL B 170 -10.526 -1.227 4.579 1.00 2.21 H new ATOM 0 HG12 VAL B 170 -10.541 -2.895 5.198 1.00 2.21 H new ATOM 0 HG13 VAL B 170 -11.038 -1.550 6.253 1.00 2.21 H new ATOM 0 HG21 VAL B 170 -8.805 0.371 5.339 1.00 31.43 H new ATOM 0 HG22 VAL B 170 -9.243 0.115 7.044 1.00 31.43 H new ATOM 0 HG23 VAL B 170 -7.563 -0.132 6.510 1.00 31.43 H new ATOM 1153 N PHE B 171 -8.005 -4.571 5.972 1.00 21.52 N ATOM 1154 CA PHE B 171 -8.113 -5.962 5.547 1.00 52.51 C ATOM 1155 C PHE B 171 -8.246 -6.890 6.750 1.00 44.02 C ATOM 1156 O PHE B 171 -9.173 -7.695 6.828 1.00 12.12 O ATOM 1157 CB PHE B 171 -6.892 -6.359 4.713 1.00 4.40 C ATOM 1158 CG PHE B 171 -7.136 -7.543 3.822 1.00 72.24 C ATOM 1159 CD1 PHE B 171 -8.233 -7.578 2.978 1.00 10.42 C ATOM 1160 CD2 PHE B 171 -6.265 -8.621 3.828 1.00 4.14 C ATOM 1161 CE1 PHE B 171 -8.458 -8.666 2.157 1.00 3.24 C ATOM 1162 CE2 PHE B 171 -6.486 -9.713 3.010 1.00 74.33 C ATOM 1163 CZ PHE B 171 -7.583 -9.735 2.172 1.00 43.10 C ATOM 0 H PHE B 171 -7.208 -4.071 5.579 1.00 21.52 H new ATOM 0 HA PHE B 171 -9.010 -6.060 4.935 1.00 52.51 H new ATOM 0 HB2 PHE B 171 -6.588 -5.510 4.101 1.00 4.40 H new ATOM 0 HB3 PHE B 171 -6.061 -6.583 5.383 1.00 4.40 H new ATOM 0 HD1 PHE B 171 -8.921 -6.745 2.961 1.00 10.42 H new ATOM 0 HD2 PHE B 171 -5.404 -8.608 4.479 1.00 4.14 H new ATOM 0 HE1 PHE B 171 -9.318 -8.681 1.504 1.00 3.24 H new ATOM 0 HE2 PHE B 171 -5.801 -10.548 3.026 1.00 74.33 H new ATOM 0 HZ PHE B 171 -7.757 -10.586 1.530 1.00 43.10 H new ATOM 1173 N GLY B 172 -7.311 -6.772 7.687 1.00 70.52 N ATOM 1174 CA GLY B 172 -7.340 -7.607 8.874 1.00 51.13 C ATOM 1175 C GLY B 172 -8.681 -7.566 9.579 1.00 51.41 C ATOM 1176 O GLY B 172 -9.328 -8.598 9.758 1.00 24.33 O ATOM 0 H GLY B 172 -6.534 -6.113 7.646 1.00 70.52 H new ATOM 0 HA2 GLY B 172 -7.110 -8.636 8.596 1.00 51.13 H new ATOM 0 HA3 GLY B 172 -6.561 -7.281 9.563 1.00 51.13 H new ATOM 1180 N ILE B 173 -9.102 -6.370 9.981 1.00 74.41 N ATOM 1181 CA ILE B 173 -10.375 -6.200 10.670 1.00 75.44 C ATOM 1182 C ILE B 173 -11.531 -6.724 9.826 1.00 73.55 C ATOM 1183 O ILE B 173 -12.454 -7.355 10.342 1.00 34.14 O ATOM 1184 CB ILE B 173 -10.634 -4.722 11.015 1.00 41.13 C ATOM 1185 CG1 ILE B 173 -9.508 -4.176 11.897 1.00 14.22 C ATOM 1186 CG2 ILE B 173 -11.978 -4.568 11.709 1.00 3.34 C ATOM 1187 CD1 ILE B 173 -9.421 -4.845 13.250 1.00 21.04 C ATOM 0 H ILE B 173 -8.579 -5.505 9.841 1.00 74.41 H new ATOM 0 HA ILE B 173 -10.314 -6.775 11.594 1.00 75.44 H new ATOM 0 HB ILE B 173 -10.657 -4.147 10.089 1.00 41.13 H new ATOM 0 HG12 ILE B 173 -8.558 -4.301 11.378 1.00 14.22 H new ATOM 0 HG13 ILE B 173 -9.656 -3.105 12.039 1.00 14.22 H new ATOM 0 HG21 ILE B 173 -12.147 -3.518 11.946 1.00 3.34 H new ATOM 0 HG22 ILE B 173 -12.770 -4.923 11.050 1.00 3.34 H new ATOM 0 HG23 ILE B 173 -11.982 -5.153 12.629 1.00 3.34 H new ATOM 0 HD11 ILE B 173 -8.601 -4.408 13.820 1.00 21.04 H new ATOM 0 HD12 ILE B 173 -10.357 -4.698 13.789 1.00 21.04 H new ATOM 0 HD13 ILE B 173 -9.242 -5.912 13.117 1.00 21.04 H new ATOM 1199 N LEU B 174 -11.474 -6.460 8.525 1.00 30.12 N ATOM 1200 CA LEU B 174 -12.516 -6.907 7.607 1.00 24.22 C ATOM 1201 C LEU B 174 -12.654 -8.426 7.638 1.00 51.15 C ATOM 1202 O LEU B 174 -13.719 -8.956 7.954 1.00 13.13 O ATOM 1203 CB LEU B 174 -12.205 -6.440 6.184 1.00 44.24 C ATOM 1204 CG LEU B 174 -12.609 -5.004 5.846 1.00 33.01 C ATOM 1205 CD1 LEU B 174 -12.196 -4.655 4.424 1.00 3.02 C ATOM 1206 CD2 LEU B 174 -14.107 -4.814 6.031 1.00 14.32 C ATOM 0 H LEU B 174 -10.717 -5.939 8.082 1.00 30.12 H new ATOM 0 HA LEU B 174 -13.461 -6.468 7.928 1.00 24.22 H new ATOM 0 HB2 LEU B 174 -11.133 -6.544 6.015 1.00 44.24 H new ATOM 0 HB3 LEU B 174 -12.705 -7.111 5.485 1.00 44.24 H new ATOM 0 HG LEU B 174 -12.091 -4.330 6.529 1.00 33.01 H new ATOM 0 HD11 LEU B 174 -12.491 -3.630 4.201 1.00 3.02 H new ATOM 0 HD12 LEU B 174 -11.115 -4.751 4.325 1.00 3.02 H new ATOM 0 HD13 LEU B 174 -12.686 -5.334 3.726 1.00 3.02 H new ATOM 0 HD21 LEU B 174 -14.376 -3.787 5.786 1.00 14.32 H new ATOM 0 HD22 LEU B 174 -14.644 -5.497 5.373 1.00 14.32 H new ATOM 0 HD23 LEU B 174 -14.375 -5.022 7.067 1.00 14.32 H new ATOM 1218 N ILE B 175 -11.569 -9.119 7.309 1.00 1.01 N ATOM 1219 CA ILE B 175 -11.569 -10.577 7.302 1.00 71.24 C ATOM 1220 C ILE B 175 -12.074 -11.134 8.629 1.00 72.44 C ATOM 1221 O ILE B 175 -12.744 -12.165 8.667 1.00 45.14 O ATOM 1222 CB ILE B 175 -10.162 -11.138 7.025 1.00 74.32 C ATOM 1223 CG1 ILE B 175 -9.640 -10.625 5.682 1.00 15.31 C ATOM 1224 CG2 ILE B 175 -10.185 -12.659 7.043 1.00 63.45 C ATOM 1225 CD1 ILE B 175 -8.167 -10.893 5.462 1.00 0.24 C ATOM 0 H ILE B 175 -10.680 -8.695 7.044 1.00 1.01 H new ATOM 0 HA ILE B 175 -12.240 -10.889 6.502 1.00 71.24 H new ATOM 0 HB ILE B 175 -9.489 -10.794 7.811 1.00 74.32 H new ATOM 0 HG12 ILE B 175 -10.210 -11.091 4.878 1.00 15.31 H new ATOM 0 HG13 ILE B 175 -9.819 -9.552 5.618 1.00 15.31 H new ATOM 0 HG21 ILE B 175 -9.183 -13.040 6.846 1.00 63.45 H new ATOM 0 HG22 ILE B 175 -10.519 -13.006 8.021 1.00 63.45 H new ATOM 0 HG23 ILE B 175 -10.869 -13.022 6.276 1.00 63.45 H new ATOM 0 HD11 ILE B 175 -7.867 -10.502 4.490 1.00 0.24 H new ATOM 0 HD12 ILE B 175 -7.587 -10.403 6.245 1.00 0.24 H new ATOM 0 HD13 ILE B 175 -7.984 -11.967 5.493 1.00 0.24 H new ATOM 1237 N LYS B 176 -11.748 -10.443 9.716 1.00 75.14 N ATOM 1238 CA LYS B 176 -12.169 -10.864 11.047 1.00 3.35 C ATOM 1239 C LYS B 176 -13.683 -10.751 11.199 1.00 73.33 C ATOM 1240 O LYS B 176 -14.378 -11.754 11.360 1.00 31.30 O ATOM 1241 CB LYS B 176 -11.473 -10.019 12.116 1.00 3.15 C ATOM 1242 CG LYS B 176 -10.181 -10.632 12.630 1.00 11.33 C ATOM 1243 CD LYS B 176 -9.343 -9.614 13.385 1.00 4.11 C ATOM 1244 CE LYS B 176 -7.867 -9.978 13.358 1.00 1.33 C ATOM 1245 NZ LYS B 176 -7.547 -11.067 14.322 1.00 71.32 N ATOM 0 H LYS B 176 -11.193 -9.588 9.701 1.00 75.14 H new ATOM 0 HA LYS B 176 -11.885 -11.908 11.178 1.00 3.35 H new ATOM 0 HB2 LYS B 176 -11.259 -9.032 11.705 1.00 3.15 H new ATOM 0 HB3 LYS B 176 -12.155 -9.874 12.954 1.00 3.15 H new ATOM 0 HG2 LYS B 176 -10.411 -11.473 13.285 1.00 11.33 H new ATOM 0 HG3 LYS B 176 -9.607 -11.028 11.793 1.00 11.33 H new ATOM 0 HD2 LYS B 176 -9.484 -8.627 12.945 1.00 4.11 H new ATOM 0 HD3 LYS B 176 -9.685 -9.554 14.418 1.00 4.11 H new ATOM 0 HE2 LYS B 176 -7.588 -10.290 12.352 1.00 1.33 H new ATOM 0 HE3 LYS B 176 -7.271 -9.097 13.595 1.00 1.33 H new ATOM 0 HZ1 LYS B 176 -6.532 -11.286 14.273 1.00 71.32 H new ATOM 0 HZ2 LYS B 176 -7.789 -10.760 15.286 1.00 71.32 H new ATOM 0 HZ3 LYS B 176 -8.096 -11.916 14.081 1.00 71.32 H new ATOM 1259 N ARG B 177 -14.188 -9.522 11.145 1.00 63.13 N ATOM 1260 CA ARG B 177 -15.619 -9.278 11.278 1.00 53.33 C ATOM 1261 C ARG B 177 -16.408 -10.111 10.272 1.00 14.10 C ATOM 1262 O ARG B 177 -17.513 -10.570 10.562 1.00 32.15 O ATOM 1263 CB ARG B 177 -15.925 -7.792 11.077 1.00 4.24 C ATOM 1264 CG ARG B 177 -16.056 -7.017 12.377 1.00 64.33 C ATOM 1265 CD ARG B 177 -17.455 -7.139 12.960 1.00 24.52 C ATOM 1266 NE ARG B 177 -18.264 -5.953 12.698 1.00 51.20 N ATOM 1267 CZ ARG B 177 -18.132 -4.811 13.365 1.00 11.41 C ATOM 1268 NH1 ARG B 177 -17.228 -4.703 14.329 1.00 13.33 N ATOM 1269 NH2 ARG B 177 -18.905 -3.775 13.068 1.00 2.42 N ATOM 0 H ARG B 177 -13.627 -8.681 11.010 1.00 63.13 H new ATOM 0 HA ARG B 177 -15.921 -9.572 12.283 1.00 53.33 H new ATOM 0 HB2 ARG B 177 -15.134 -7.345 10.475 1.00 4.24 H new ATOM 0 HB3 ARG B 177 -16.851 -7.694 10.510 1.00 4.24 H new ATOM 0 HG2 ARG B 177 -15.327 -7.387 13.098 1.00 64.33 H new ATOM 0 HG3 ARG B 177 -15.825 -5.967 12.201 1.00 64.33 H new ATOM 0 HD2 ARG B 177 -17.948 -8.014 12.538 1.00 24.52 H new ATOM 0 HD3 ARG B 177 -17.386 -7.300 14.036 1.00 24.52 H new ATOM 0 HE ARG B 177 -18.969 -6.003 11.963 1.00 51.20 H new ATOM 0 HH11 ARG B 177 -16.632 -5.498 14.560 1.00 13.33 H new ATOM 0 HH12 ARG B 177 -17.129 -3.825 14.839 1.00 13.33 H new ATOM 0 HH21 ARG B 177 -19.602 -3.854 12.327 1.00 2.42 H new ATOM 0 HH22 ARG B 177 -18.803 -2.899 13.580 1.00 2.42 H new