USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 889 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 77 TYR OH : rot -153:sc= 0.00444 USER MOD Set 1.2: A 120 ASN : amide:sc= 0.751 K(o=1.6,f=-0.17) USER MOD Set 1.3: A 124 GLN : amide:sc= 0.847 K(o=1.6,f=-0.17) USER MOD Set 2.1: A 97 GLN : amide:sc= 0.739 K(o=1.4,f=0.29) USER MOD Set 2.2: A 103 SER OG : rot -89:sc= 0.679 USER MOD Set 3.1: A 59 LYS NZ :NH3+ 159:sc= 1.86 (180deg=1.12) USER MOD Set 3.2: A 71 GLN : amide:sc= 1.01 K(o=2.9,f=-5.7!) USER MOD Set 4.1: A 44 THR OG1 : rot -158:sc= 0.755 USER MOD Set 4.2: A 63 LYS NZ :NH3+ -159:sc= 2.21 (180deg=1.15) USER MOD Set 5.1: A 12 CYS SG : rot 147:sc= -0.205 USER MOD Set 5.2: A 122 SER OG : rot 80:sc= 1.28 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -169:sc= 2.44 (180deg=2.25) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.601 K(o=0.6,f=-7.8!) USER MOD Single : A 50 THR OG1 : rot 171:sc= 1.17 USER MOD Single : A 51 SER OG : rot 30:sc= 0.184 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0756) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.43 K(o=0.43,f=-0.17) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.321 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 HIS : no HD1:sc= 0.619 K(o=0.66,f=-3!) USER MOD Single : A 128 LYS NZ :NH3+ -157:sc= 1.28 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -5.399 8.595 14.928 1.00 0.00 N ATOM 172 CA GLU A 8 -5.564 7.498 13.963 1.00 0.00 C ATOM 173 C GLU A 8 -5.638 6.169 14.731 1.00 0.00 C ATOM 174 O GLU A 8 -4.814 5.883 15.603 1.00 0.00 O ATOM 175 CB GLU A 8 -4.445 7.478 12.907 1.00 0.00 C ATOM 176 CG GLU A 8 -3.017 7.335 13.452 1.00 0.00 C ATOM 177 CD GLU A 8 -2.004 7.708 12.367 1.00 0.00 C ATOM 178 OE1 GLU A 8 -2.000 7.043 11.306 1.00 0.00 O ATOM 179 OE2 GLU A 8 -1.201 8.652 12.558 1.00 0.00 O ATOM 0 HA GLU A 8 -6.492 7.652 13.412 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.635 6.655 12.218 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.502 8.399 12.327 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.885 7.979 14.322 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.846 6.311 13.784 1.00 0.00 H new ATOM 186 N SER A 9 -6.650 5.361 14.427 1.00 0.00 N ATOM 187 CA SER A 9 -6.926 4.079 15.085 1.00 0.00 C ATOM 188 C SER A 9 -6.264 2.922 14.335 1.00 0.00 C ATOM 189 O SER A 9 -6.320 2.886 13.109 1.00 0.00 O ATOM 190 CB SER A 9 -8.441 3.869 15.174 1.00 0.00 C ATOM 191 OG SER A 9 -9.002 4.775 16.114 1.00 0.00 O ATOM 0 H SER A 9 -7.324 5.584 13.694 1.00 0.00 H new ATOM 0 HA SER A 9 -6.506 4.102 16.091 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.896 4.020 14.195 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.658 2.843 15.471 1.00 0.00 H new ATOM 0 HG SER A 9 -9.971 4.636 16.164 1.00 0.00 H new ATOM 197 N VAL A 10 -5.632 1.965 15.021 1.00 0.00 N ATOM 198 CA VAL A 10 -4.944 0.842 14.346 1.00 0.00 C ATOM 199 C VAL A 10 -5.936 -0.153 13.725 1.00 0.00 C ATOM 200 O VAL A 10 -6.941 -0.511 14.345 1.00 0.00 O ATOM 201 CB VAL A 10 -3.892 0.178 15.257 1.00 0.00 C ATOM 202 CG1 VAL A 10 -4.488 -0.570 16.455 1.00 0.00 C ATOM 203 CG2 VAL A 10 -2.987 -0.779 14.469 1.00 0.00 C ATOM 0 H VAL A 10 -5.578 1.938 16.039 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.385 1.259 13.508 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.305 1.008 15.650 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.684 -1.009 17.046 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.055 0.126 17.073 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.149 -1.360 16.098 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.258 -1.228 15.143 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.594 -1.563 14.016 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.466 -0.226 13.688 1.00 0.00 H new ATOM 213 N LEU A 11 -5.647 -0.599 12.498 1.00 0.00 N ATOM 214 CA LEU A 11 -6.445 -1.569 11.737 1.00 0.00 C ATOM 215 C LEU A 11 -5.675 -2.864 11.448 1.00 0.00 C ATOM 216 O LEU A 11 -6.228 -3.952 11.622 1.00 0.00 O ATOM 217 CB LEU A 11 -6.907 -0.951 10.403 1.00 0.00 C ATOM 218 CG LEU A 11 -7.839 0.271 10.489 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.235 0.654 9.063 1.00 0.00 C ATOM 220 CD2 LEU A 11 -9.108 -0.014 11.295 1.00 0.00 C ATOM 0 H LEU A 11 -4.822 -0.284 11.988 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.306 -1.820 12.356 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.021 -0.663 9.837 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.415 -1.725 9.828 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.307 1.075 10.998 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.897 1.519 9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.340 0.899 8.490 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.750 -0.183 8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.729 0.881 11.324 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.663 -0.826 10.825 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.837 -0.301 12.311 1.00 0.00 H new ATOM 232 N CYS A 12 -4.416 -2.761 11.003 1.00 0.00 N ATOM 233 CA CYS A 12 -3.597 -3.915 10.627 1.00 0.00 C ATOM 234 C CYS A 12 -2.101 -3.711 10.892 1.00 0.00 C ATOM 235 O CYS A 12 -1.588 -2.591 10.907 1.00 0.00 O ATOM 236 CB CYS A 12 -3.878 -4.288 9.163 1.00 0.00 C ATOM 237 SG CYS A 12 -3.352 -5.991 8.807 1.00 0.00 S ATOM 0 H CYS A 12 -3.936 -1.868 10.894 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.884 -4.748 11.269 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.943 -4.183 8.956 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.355 -3.597 8.502 1.00 0.00 H new ATOM 0 HG CYS A 12 -4.143 -6.513 7.917 1.00 0.00 H new ATOM 243 N VAL A 13 -1.401 -4.829 11.066 1.00 0.00 N ATOM 244 CA VAL A 13 0.057 -4.925 11.124 1.00 0.00 C ATOM 245 C VAL A 13 0.490 -6.221 10.432 1.00 0.00 C ATOM 246 O VAL A 13 -0.077 -7.284 10.699 1.00 0.00 O ATOM 247 CB VAL A 13 0.554 -4.809 12.582 1.00 0.00 C ATOM 248 CG1 VAL A 13 0.032 -5.898 13.529 1.00 0.00 C ATOM 249 CG2 VAL A 13 2.083 -4.784 12.670 1.00 0.00 C ATOM 0 H VAL A 13 -1.855 -5.736 11.176 1.00 0.00 H new ATOM 0 HA VAL A 13 0.519 -4.094 10.591 1.00 0.00 H new ATOM 0 HB VAL A 13 0.138 -3.858 12.915 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.434 -5.734 14.529 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.057 -5.858 13.565 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.347 -6.877 13.167 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.386 -4.702 13.714 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.487 -5.704 12.246 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.466 -3.929 12.113 1.00 0.00 H new ATOM 259 N LYS A 14 1.478 -6.139 9.533 1.00 0.00 N ATOM 260 CA LYS A 14 2.115 -7.324 8.909 1.00 0.00 C ATOM 261 C LYS A 14 3.646 -7.340 9.060 1.00 0.00 C ATOM 262 O LYS A 14 4.277 -6.283 8.963 1.00 0.00 O ATOM 263 CB LYS A 14 1.670 -7.544 7.443 1.00 0.00 C ATOM 264 CG LYS A 14 0.240 -8.080 7.295 1.00 0.00 C ATOM 265 CD LYS A 14 0.103 -9.528 7.793 1.00 0.00 C ATOM 266 CE LYS A 14 -1.277 -10.051 7.404 1.00 0.00 C ATOM 267 NZ LYS A 14 -1.421 -11.507 7.638 1.00 0.00 N ATOM 0 H LYS A 14 1.865 -5.252 9.212 1.00 0.00 H new ATOM 0 HA LYS A 14 1.747 -8.179 9.476 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.750 -6.599 6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.359 -8.241 6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.444 -7.441 7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.058 -8.029 6.248 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.881 -10.153 7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.232 -9.569 8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.038 -9.518 7.975 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.459 -9.836 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.297 -11.846 7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.607 -12.007 7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.461 -11.692 8.661 1.00 0.00 H new ATOM 281 N PRO A 15 4.242 -8.529 9.293 1.00 0.00 N ATOM 282 CA PRO A 15 5.631 -8.685 9.740 1.00 0.00 C ATOM 283 C PRO A 15 6.686 -8.403 8.660 1.00 0.00 C ATOM 284 O PRO A 15 7.804 -8.006 8.990 1.00 0.00 O ATOM 285 CB PRO A 15 5.724 -10.139 10.230 1.00 0.00 C ATOM 286 CG PRO A 15 4.667 -10.871 9.401 1.00 0.00 C ATOM 287 CD PRO A 15 3.571 -9.826 9.299 1.00 0.00 C ATOM 0 HA PRO A 15 5.854 -7.949 10.513 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.719 -10.554 10.066 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.519 -10.215 11.298 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.046 -11.163 8.421 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.320 -11.780 9.892 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.985 -9.965 8.391 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.881 -9.903 10.139 1.00 0.00 H new ATOM 295 N ASP A 16 6.349 -8.602 7.383 1.00 0.00 N ATOM 296 CA ASP A 16 7.245 -8.391 6.242 1.00 0.00 C ATOM 297 C ASP A 16 6.479 -7.838 5.027 1.00 0.00 C ATOM 298 O ASP A 16 5.389 -8.317 4.700 1.00 0.00 O ATOM 299 CB ASP A 16 7.957 -9.705 5.893 1.00 0.00 C ATOM 300 CG ASP A 16 9.031 -9.486 4.819 1.00 0.00 C ATOM 301 OD1 ASP A 16 8.713 -9.598 3.613 1.00 0.00 O ATOM 302 OD2 ASP A 16 10.193 -9.189 5.184 1.00 0.00 O ATOM 0 H ASP A 16 5.421 -8.923 7.106 1.00 0.00 H new ATOM 0 HA ASP A 16 7.993 -7.648 6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.415 -10.123 6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.228 -10.434 5.539 1.00 0.00 H new ATOM 307 N VAL A 17 7.048 -6.830 4.361 1.00 0.00 N ATOM 308 CA VAL A 17 6.511 -6.214 3.140 1.00 0.00 C ATOM 309 C VAL A 17 7.663 -5.634 2.315 1.00 0.00 C ATOM 310 O VAL A 17 8.606 -5.067 2.877 1.00 0.00 O ATOM 311 CB VAL A 17 5.435 -5.154 3.473 1.00 0.00 C ATOM 312 CG1 VAL A 17 5.941 -3.997 4.341 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.788 -4.576 2.213 1.00 0.00 C ATOM 0 H VAL A 17 7.924 -6.405 4.665 1.00 0.00 H new ATOM 0 HA VAL A 17 6.012 -6.976 2.541 1.00 0.00 H new ATOM 0 HB VAL A 17 4.694 -5.704 4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.125 -3.299 4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.309 -4.388 5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.749 -3.480 3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.039 -3.836 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.552 -4.102 1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.312 -5.377 1.648 1.00 0.00 H new ATOM 323 N SER A 18 7.598 -5.779 0.991 1.00 0.00 N ATOM 324 CA SER A 18 8.622 -5.296 0.056 1.00 0.00 C ATOM 325 C SER A 18 8.055 -4.280 -0.942 1.00 0.00 C ATOM 326 O SER A 18 6.914 -4.396 -1.391 1.00 0.00 O ATOM 327 CB SER A 18 9.271 -6.471 -0.680 1.00 0.00 C ATOM 328 OG SER A 18 9.782 -7.440 0.223 1.00 0.00 O ATOM 0 H SER A 18 6.818 -6.244 0.527 1.00 0.00 H new ATOM 0 HA SER A 18 9.384 -4.782 0.642 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.538 -6.938 -1.338 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.078 -6.102 -1.313 1.00 0.00 H new ATOM 0 HG SER A 18 10.187 -8.176 -0.282 1.00 0.00 H new ATOM 334 N VAL A 19 8.852 -3.272 -1.298 1.00 0.00 N ATOM 335 CA VAL A 19 8.464 -2.141 -2.155 1.00 0.00 C ATOM 336 C VAL A 19 9.374 -2.056 -3.380 1.00 0.00 C ATOM 337 O VAL A 19 10.595 -2.200 -3.297 1.00 0.00 O ATOM 338 CB VAL A 19 8.405 -0.829 -1.355 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.127 0.386 -2.245 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.276 -0.916 -0.319 1.00 0.00 C ATOM 0 H VAL A 19 9.822 -3.215 -0.988 1.00 0.00 H new ATOM 0 HA VAL A 19 7.454 -2.313 -2.526 1.00 0.00 H new ATOM 0 HB VAL A 19 9.379 -0.700 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.095 1.287 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.918 0.481 -2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.169 0.256 -2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.232 0.013 0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.326 -1.075 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.468 -1.748 0.359 1.00 0.00 H new ATOM 350 N TYR A 20 8.743 -1.810 -4.526 1.00 0.00 N ATOM 351 CA TYR A 20 9.304 -1.959 -5.873 1.00 0.00 C ATOM 352 C TYR A 20 9.141 -0.670 -6.711 1.00 0.00 C ATOM 353 O TYR A 20 8.771 -0.736 -7.882 1.00 0.00 O ATOM 354 CB TYR A 20 8.651 -3.185 -6.539 1.00 0.00 C ATOM 355 CG TYR A 20 8.829 -4.507 -5.806 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.957 -4.866 -4.757 1.00 0.00 C ATOM 357 CD2 TYR A 20 9.847 -5.398 -6.197 1.00 0.00 C ATOM 358 CE1 TYR A 20 8.114 -6.098 -4.095 1.00 0.00 C ATOM 359 CE2 TYR A 20 9.987 -6.641 -5.550 1.00 0.00 C ATOM 360 CZ TYR A 20 9.125 -6.995 -4.496 1.00 0.00 C ATOM 361 OH TYR A 20 9.284 -8.195 -3.874 1.00 0.00 O ATOM 0 H TYR A 20 7.777 -1.484 -4.544 1.00 0.00 H new ATOM 0 HA TYR A 20 10.379 -2.123 -5.807 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.584 -2.991 -6.647 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.059 -3.290 -7.544 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.166 -4.193 -4.461 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.522 -5.127 -6.995 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.458 -6.357 -3.277 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.760 -7.326 -5.865 1.00 0.00 H new ATOM 0 HH TYR A 20 10.029 -8.680 -4.285 1.00 0.00 H new ATOM 371 N ARG A 21 9.359 0.500 -6.079 1.00 0.00 N ATOM 372 CA ARG A 21 9.127 1.886 -6.572 1.00 0.00 C ATOM 373 C ARG A 21 9.151 2.046 -8.107 1.00 0.00 C ATOM 374 O ARG A 21 10.148 1.731 -8.761 1.00 0.00 O ATOM 375 CB ARG A 21 10.147 2.853 -5.932 1.00 0.00 C ATOM 376 CG ARG A 21 10.109 2.850 -4.392 1.00 0.00 C ATOM 377 CD ARG A 21 10.772 4.093 -3.783 1.00 0.00 C ATOM 378 NE ARG A 21 12.238 4.041 -3.906 1.00 0.00 N ATOM 379 CZ ARG A 21 13.101 5.035 -3.842 1.00 0.00 C ATOM 380 NH1 ARG A 21 14.364 4.754 -3.931 1.00 0.00 N ATOM 381 NH2 ARG A 21 12.745 6.280 -3.692 1.00 0.00 N ATOM 0 H ARG A 21 9.733 0.508 -5.130 1.00 0.00 H new ATOM 0 HA ARG A 21 8.110 2.132 -6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.150 2.584 -6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.953 3.864 -6.291 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.073 2.795 -4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.611 1.956 -4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.396 4.987 -4.281 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.497 4.174 -2.731 1.00 0.00 H new ATOM 0 HE ARG A 21 12.638 3.115 -4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.664 3.786 -4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.057 5.501 -3.885 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.757 6.523 -3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.454 7.012 -3.648 1.00 0.00 H new ATOM 395 N ILE A 22 8.043 2.544 -8.668 1.00 0.00 N ATOM 396 CA ILE A 22 7.658 2.348 -10.081 1.00 0.00 C ATOM 397 C ILE A 22 7.726 3.645 -10.921 1.00 0.00 C ATOM 398 O ILE A 22 7.428 4.722 -10.394 1.00 0.00 O ATOM 399 CB ILE A 22 6.253 1.697 -10.178 1.00 0.00 C ATOM 400 CG1 ILE A 22 5.128 2.655 -9.720 1.00 0.00 C ATOM 401 CG2 ILE A 22 6.229 0.364 -9.422 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.742 2.026 -9.566 1.00 0.00 C ATOM 0 H ILE A 22 7.371 3.107 -8.146 1.00 0.00 H new ATOM 0 HA ILE A 22 8.396 1.671 -10.511 1.00 0.00 H new ATOM 0 HB ILE A 22 6.052 1.488 -11.229 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.416 3.093 -8.764 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.058 3.473 -10.437 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.237 -0.080 -9.499 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.965 -0.313 -9.855 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.469 0.536 -8.373 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.031 2.786 -9.242 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.421 1.614 -10.523 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.785 1.229 -8.824 1.00 0.00 H new ATOM 414 N PRO A 23 8.059 3.569 -12.227 1.00 0.00 N ATOM 415 CA PRO A 23 7.998 4.723 -13.127 1.00 0.00 C ATOM 416 C PRO A 23 6.587 5.220 -13.543 1.00 0.00 C ATOM 417 O PRO A 23 6.396 6.441 -13.552 1.00 0.00 O ATOM 418 CB PRO A 23 8.895 4.383 -14.325 1.00 0.00 C ATOM 419 CG PRO A 23 9.136 2.873 -14.266 1.00 0.00 C ATOM 420 CD PRO A 23 8.760 2.449 -12.847 1.00 0.00 C ATOM 0 HA PRO A 23 8.355 5.594 -12.578 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.415 4.664 -15.262 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.837 4.929 -14.273 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.528 2.350 -15.005 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.177 2.634 -14.483 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.125 1.563 -12.867 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.651 2.190 -12.275 1.00 0.00 H new ATOM 428 N PRO A 24 5.592 4.372 -13.899 1.00 0.00 N ATOM 429 CA PRO A 24 4.299 4.832 -14.426 1.00 0.00 C ATOM 430 C PRO A 24 3.297 5.283 -13.346 1.00 0.00 C ATOM 431 O PRO A 24 3.389 4.896 -12.179 1.00 0.00 O ATOM 432 CB PRO A 24 3.750 3.647 -15.233 1.00 0.00 C ATOM 433 CG PRO A 24 4.297 2.442 -14.473 1.00 0.00 C ATOM 434 CD PRO A 24 5.680 2.927 -14.055 1.00 0.00 C ATOM 0 HA PRO A 24 4.444 5.728 -15.030 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.660 3.647 -15.262 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.096 3.665 -16.266 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.678 2.187 -13.613 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.350 1.553 -15.102 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.989 2.456 -13.122 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.425 2.664 -14.806 1.00 0.00 H new ATOM 525 N GLY A 30 -3.992 -0.797 -16.347 1.00 0.00 N ATOM 526 CA GLY A 30 -3.589 -0.488 -14.979 1.00 0.00 C ATOM 527 C GLY A 30 -2.085 -0.252 -14.876 1.00 0.00 C ATOM 528 O GLY A 30 -1.536 0.585 -15.597 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.121 0.398 -14.634 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.875 -1.308 -14.321 1.00 0.00 H new ATOM 532 N TYR A 31 -1.423 -1.007 -13.997 1.00 0.00 N ATOM 533 CA TYR A 31 0.007 -0.862 -13.690 1.00 0.00 C ATOM 534 C TYR A 31 0.858 -2.083 -14.040 1.00 0.00 C ATOM 535 O TYR A 31 1.997 -1.903 -14.460 1.00 0.00 O ATOM 536 CB TYR A 31 0.172 -0.593 -12.196 1.00 0.00 C ATOM 537 CG TYR A 31 -0.190 0.803 -11.766 1.00 0.00 C ATOM 538 CD1 TYR A 31 -1.476 1.078 -11.269 1.00 0.00 C ATOM 539 CD2 TYR A 31 0.803 1.797 -11.782 1.00 0.00 C ATOM 540 CE1 TYR A 31 -1.759 2.348 -10.732 1.00 0.00 C ATOM 541 CE2 TYR A 31 0.529 3.059 -11.229 1.00 0.00 C ATOM 542 CZ TYR A 31 -0.746 3.333 -10.680 1.00 0.00 C ATOM 543 OH TYR A 31 -0.972 4.522 -10.061 1.00 0.00 O ATOM 0 H TYR A 31 -1.873 -1.753 -13.466 1.00 0.00 H new ATOM 0 HA TYR A 31 0.360 -0.037 -14.309 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.445 -1.301 -11.643 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.208 -0.788 -11.918 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.243 0.318 -11.299 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.770 1.592 -12.216 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.748 2.570 -10.360 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.293 3.822 -11.223 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.168 5.079 -10.119 1.00 0.00 H new ATOM 553 N ARG A 32 0.314 -3.293 -13.837 1.00 0.00 N ATOM 554 CA ARG A 32 0.953 -4.615 -13.834 1.00 0.00 C ATOM 555 C ARG A 32 2.293 -4.709 -13.072 1.00 0.00 C ATOM 556 O ARG A 32 3.307 -4.217 -13.553 1.00 0.00 O ATOM 557 CB ARG A 32 1.069 -5.186 -15.263 1.00 0.00 C ATOM 558 CG ARG A 32 0.180 -4.648 -16.404 1.00 0.00 C ATOM 559 CD ARG A 32 0.735 -3.434 -17.160 1.00 0.00 C ATOM 560 NE ARG A 32 0.205 -3.404 -18.540 1.00 0.00 N ATOM 561 CZ ARG A 32 0.661 -4.089 -19.576 1.00 0.00 C ATOM 562 NH1 ARG A 32 0.014 -4.050 -20.702 1.00 0.00 N ATOM 563 NH2 ARG A 32 1.743 -4.813 -19.526 1.00 0.00 N ATOM 0 H ARG A 32 -0.686 -3.376 -13.652 1.00 0.00 H new ATOM 0 HA ARG A 32 0.275 -5.242 -13.254 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.105 -5.057 -15.576 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.888 -6.259 -15.195 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.011 -5.453 -17.119 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.792 -4.382 -15.989 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.463 -2.516 -16.638 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.824 -3.477 -17.182 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.594 -2.793 -18.711 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.838 -3.495 -20.782 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.358 -4.575 -21.506 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.279 -4.870 -18.660 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.054 -5.323 -20.353 1.00 0.00 H new ATOM 577 N ALA A 33 2.357 -5.470 -11.970 1.00 0.00 N ATOM 578 CA ALA A 33 3.636 -5.803 -11.303 1.00 0.00 C ATOM 579 C ALA A 33 4.665 -6.402 -12.283 1.00 0.00 C ATOM 580 O ALA A 33 5.864 -6.158 -12.181 1.00 0.00 O ATOM 581 CB ALA A 33 3.383 -6.783 -10.147 1.00 0.00 C ATOM 0 H ALA A 33 1.537 -5.871 -11.516 1.00 0.00 H new ATOM 0 HA ALA A 33 4.055 -4.874 -10.916 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.328 -7.024 -9.661 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.709 -6.325 -9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.932 -7.696 -10.536 1.00 0.00 H new ATOM 587 N SER A 34 4.152 -7.138 -13.272 1.00 0.00 N ATOM 588 CA SER A 34 4.853 -7.729 -14.410 1.00 0.00 C ATOM 589 C SER A 34 5.583 -6.738 -15.338 1.00 0.00 C ATOM 590 O SER A 34 6.498 -7.147 -16.056 1.00 0.00 O ATOM 591 CB SER A 34 3.776 -8.438 -15.246 1.00 0.00 C ATOM 592 OG SER A 34 3.105 -9.455 -14.527 1.00 0.00 O ATOM 0 H SER A 34 3.155 -7.352 -13.298 1.00 0.00 H new ATOM 0 HA SER A 34 5.632 -8.375 -14.005 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.049 -7.703 -15.591 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.238 -8.871 -16.133 1.00 0.00 H new ATOM 0 HG SER A 34 2.431 -9.872 -15.103 1.00 0.00 H new ATOM 598 N ASP A 35 5.197 -5.457 -15.370 1.00 0.00 N ATOM 599 CA ASP A 35 5.801 -4.428 -16.237 1.00 0.00 C ATOM 600 C ASP A 35 7.025 -3.744 -15.606 1.00 0.00 C ATOM 601 O ASP A 35 7.929 -3.288 -16.311 1.00 0.00 O ATOM 602 CB ASP A 35 4.731 -3.390 -16.586 1.00 0.00 C ATOM 603 CG ASP A 35 5.221 -2.385 -17.641 1.00 0.00 C ATOM 604 OD1 ASP A 35 5.347 -2.778 -18.826 1.00 0.00 O ATOM 605 OD2 ASP A 35 5.451 -1.201 -17.300 1.00 0.00 O ATOM 0 H ASP A 35 4.443 -5.096 -14.785 1.00 0.00 H new ATOM 0 HA ASP A 35 6.166 -4.924 -17.136 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.841 -3.898 -16.956 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.439 -2.854 -15.683 1.00 0.00 H new ATOM 610 N TRP A 36 7.065 -3.710 -14.273 1.00 0.00 N ATOM 611 CA TRP A 36 8.167 -3.204 -13.451 1.00 0.00 C ATOM 612 C TRP A 36 8.845 -4.370 -12.702 1.00 0.00 C ATOM 613 O TRP A 36 8.753 -5.531 -13.116 1.00 0.00 O ATOM 614 CB TRP A 36 7.673 -2.029 -12.572 1.00 0.00 C ATOM 615 CG TRP A 36 6.217 -1.962 -12.227 1.00 0.00 C ATOM 616 CD1 TRP A 36 5.272 -1.384 -13.001 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.521 -2.434 -11.032 1.00 0.00 C ATOM 618 NE1 TRP A 36 4.042 -1.489 -12.394 1.00 0.00 N ATOM 619 CE2 TRP A 36 4.144 -2.070 -11.148 1.00 0.00 C ATOM 620 CE3 TRP A 36 5.912 -3.090 -9.842 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.217 -2.316 -10.126 1.00 0.00 C ATOM 622 CZ3 TRP A 36 4.983 -3.355 -8.816 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.639 -2.961 -8.950 1.00 0.00 C ATOM 0 H TRP A 36 6.289 -4.053 -13.707 1.00 0.00 H new ATOM 0 HA TRP A 36 8.958 -2.776 -14.067 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.235 -2.054 -11.638 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.937 -1.101 -13.079 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.455 -0.910 -13.954 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.166 -1.177 -12.813 1.00 0.00 H new ATOM 0 HE3 TRP A 36 6.941 -3.393 -9.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.187 -2.013 -10.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.305 -3.864 -7.920 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.935 -3.153 -8.154 1.00 0.00 H new ATOM 634 N LYS A 37 9.591 -4.080 -11.631 1.00 0.00 N ATOM 635 CA LYS A 37 10.259 -5.087 -10.800 1.00 0.00 C ATOM 636 C LYS A 37 9.262 -5.880 -9.972 1.00 0.00 C ATOM 637 O LYS A 37 8.602 -5.360 -9.076 1.00 0.00 O ATOM 638 CB LYS A 37 11.355 -4.414 -9.957 1.00 0.00 C ATOM 639 CG LYS A 37 12.561 -4.044 -10.836 1.00 0.00 C ATOM 640 CD LYS A 37 13.600 -3.208 -10.078 1.00 0.00 C ATOM 641 CE LYS A 37 14.955 -3.287 -10.787 1.00 0.00 C ATOM 642 NZ LYS A 37 15.963 -2.401 -10.147 1.00 0.00 N ATOM 0 H LYS A 37 9.750 -3.124 -11.312 1.00 0.00 H new ATOM 0 HA LYS A 37 10.745 -5.821 -11.442 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.957 -3.518 -9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.672 -5.086 -9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.031 -4.955 -11.206 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.216 -3.487 -11.707 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.271 -2.170 -10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.694 -3.571 -9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.314 -4.316 -10.773 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.835 -3.006 -11.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.867 -2.481 -10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.632 -1.416 -10.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.096 -2.686 -9.156 1.00 0.00 H new ATOM 656 N LEU A 38 9.186 -7.161 -10.308 1.00 0.00 N ATOM 657 CA LEU A 38 8.319 -8.148 -9.693 1.00 0.00 C ATOM 658 C LEU A 38 9.004 -8.937 -8.557 1.00 0.00 C ATOM 659 O LEU A 38 8.342 -9.353 -7.606 1.00 0.00 O ATOM 660 CB LEU A 38 7.825 -9.033 -10.851 1.00 0.00 C ATOM 661 CG LEU A 38 6.721 -9.972 -10.371 1.00 0.00 C ATOM 662 CD1 LEU A 38 5.573 -10.073 -11.372 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.246 -11.390 -10.122 1.00 0.00 C ATOM 0 H LEU A 38 9.758 -7.556 -11.055 1.00 0.00 H new ATOM 0 HA LEU A 38 7.481 -7.676 -9.181 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.452 -8.407 -11.662 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.655 -9.613 -11.253 1.00 0.00 H new ATOM 0 HG LEU A 38 6.359 -9.538 -9.439 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.813 -10.752 -10.986 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.135 -9.086 -11.524 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.950 -10.453 -12.321 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.429 -12.026 -9.782 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.659 -11.793 -11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.025 -11.361 -9.360 1.00 0.00 H new ATOM 675 N ASP A 39 10.325 -9.129 -8.643 1.00 0.00 N ATOM 676 CA ASP A 39 11.133 -9.960 -7.730 1.00 0.00 C ATOM 677 C ASP A 39 12.398 -9.239 -7.208 1.00 0.00 C ATOM 678 O ASP A 39 13.189 -9.812 -6.458 1.00 0.00 O ATOM 679 CB ASP A 39 11.472 -11.267 -8.469 1.00 0.00 C ATOM 680 CG ASP A 39 12.111 -12.338 -7.565 1.00 0.00 C ATOM 681 OD1 ASP A 39 13.213 -12.835 -7.901 1.00 0.00 O ATOM 682 OD2 ASP A 39 11.486 -12.728 -6.549 1.00 0.00 O ATOM 0 H ASP A 39 10.886 -8.696 -9.376 1.00 0.00 H new ATOM 0 HA ASP A 39 10.554 -10.173 -6.831 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.561 -11.672 -8.910 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.152 -11.044 -9.291 1.00 0.00 H new ATOM 687 N GLN A 40 12.595 -7.973 -7.599 1.00 0.00 N ATOM 688 CA GLN A 40 13.787 -7.159 -7.329 1.00 0.00 C ATOM 689 C GLN A 40 13.432 -5.938 -6.444 1.00 0.00 C ATOM 690 O GLN A 40 13.224 -4.841 -6.971 1.00 0.00 O ATOM 691 CB GLN A 40 14.460 -6.760 -8.663 1.00 0.00 C ATOM 692 CG GLN A 40 14.583 -7.872 -9.724 1.00 0.00 C ATOM 693 CD GLN A 40 13.448 -7.840 -10.755 1.00 0.00 C ATOM 694 OE1 GLN A 40 12.263 -7.896 -10.448 1.00 0.00 O ATOM 695 NE2 GLN A 40 13.756 -7.708 -12.027 1.00 0.00 N ATOM 0 H GLN A 40 11.894 -7.465 -8.138 1.00 0.00 H new ATOM 0 HA GLN A 40 14.510 -7.746 -6.762 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.897 -5.934 -9.097 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.459 -6.384 -8.443 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.538 -7.772 -10.239 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.589 -8.842 -9.227 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.734 -7.659 -12.312 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.017 -7.655 -12.728 1.00 0.00 H new ATOM 704 N PRO A 41 13.291 -6.087 -5.112 1.00 0.00 N ATOM 705 CA PRO A 41 12.835 -5.002 -4.240 1.00 0.00 C ATOM 706 C PRO A 41 13.875 -3.883 -4.088 1.00 0.00 C ATOM 707 O PRO A 41 15.086 -4.122 -4.093 1.00 0.00 O ATOM 708 CB PRO A 41 12.497 -5.665 -2.904 1.00 0.00 C ATOM 709 CG PRO A 41 13.433 -6.873 -2.868 1.00 0.00 C ATOM 710 CD PRO A 41 13.489 -7.304 -4.334 1.00 0.00 C ATOM 0 HA PRO A 41 11.967 -4.499 -4.666 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.674 -4.993 -2.064 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.450 -5.965 -2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.419 -6.609 -2.486 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.045 -7.666 -2.228 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.447 -7.767 -4.569 1.00 0.00 H new ATOM 0 HD3 PRO A 41 12.716 -8.040 -4.555 1.00 0.00 H new ATOM 718 N ASP A 42 13.390 -2.652 -3.915 1.00 0.00 N ATOM 719 CA ASP A 42 14.207 -1.452 -3.678 1.00 0.00 C ATOM 720 C ASP A 42 14.245 -1.061 -2.185 1.00 0.00 C ATOM 721 O ASP A 42 15.214 -0.458 -1.717 1.00 0.00 O ATOM 722 CB ASP A 42 13.662 -0.318 -4.557 1.00 0.00 C ATOM 723 CG ASP A 42 14.584 0.910 -4.550 1.00 0.00 C ATOM 724 OD1 ASP A 42 14.140 1.987 -4.090 1.00 0.00 O ATOM 725 OD2 ASP A 42 15.734 0.814 -5.042 1.00 0.00 O ATOM 0 H ASP A 42 12.390 -2.453 -3.936 1.00 0.00 H new ATOM 0 HA ASP A 42 15.242 -1.658 -3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.544 -0.677 -5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.672 -0.030 -4.204 1.00 0.00 H new ATOM 730 N TRP A 43 13.217 -1.459 -1.428 1.00 0.00 N ATOM 731 CA TRP A 43 13.123 -1.361 0.033 1.00 0.00 C ATOM 732 C TRP A 43 12.303 -2.535 0.586 1.00 0.00 C ATOM 733 O TRP A 43 11.357 -2.980 -0.064 1.00 0.00 O ATOM 734 CB TRP A 43 12.468 -0.021 0.407 1.00 0.00 C ATOM 735 CG TRP A 43 12.157 0.179 1.862 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.952 0.808 2.758 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.962 -0.223 2.608 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.339 0.825 3.996 1.00 0.00 N ATOM 739 CE2 TRP A 43 11.102 0.216 3.958 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.773 -0.912 2.283 1.00 0.00 C ATOM 741 CZ2 TRP A 43 10.103 0.010 4.921 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.767 -1.135 3.242 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.926 -0.668 4.558 1.00 0.00 C ATOM 0 H TRP A 43 12.384 -1.880 -1.839 1.00 0.00 H new ATOM 0 HA TRP A 43 14.121 -1.405 0.470 1.00 0.00 H new ATOM 0 HB2 TRP A 43 13.126 0.785 0.083 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.541 0.078 -0.159 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.920 1.233 2.538 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.750 1.237 4.834 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.632 -1.276 1.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.237 0.369 5.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.869 -1.667 2.965 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.147 -0.829 5.288 1.00 0.00 H new ATOM 754 N THR A 44 12.609 -3.015 1.795 1.00 0.00 N ATOM 755 CA THR A 44 11.725 -3.899 2.565 1.00 0.00 C ATOM 756 C THR A 44 11.673 -3.507 4.037 1.00 0.00 C ATOM 757 O THR A 44 12.599 -2.897 4.580 1.00 0.00 O ATOM 758 CB THR A 44 12.083 -5.388 2.428 1.00 0.00 C ATOM 759 OG1 THR A 44 13.117 -5.786 3.306 1.00 0.00 O ATOM 760 CG2 THR A 44 12.487 -5.853 1.034 1.00 0.00 C ATOM 0 H THR A 44 13.485 -2.800 2.272 1.00 0.00 H new ATOM 0 HA THR A 44 10.735 -3.764 2.130 1.00 0.00 H new ATOM 0 HB THR A 44 11.135 -5.862 2.682 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.543 -6.599 2.962 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.717 -6.918 1.058 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.667 -5.674 0.339 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.367 -5.299 0.707 1.00 0.00 H new ATOM 768 N GLY A 45 10.577 -3.880 4.689 1.00 0.00 N ATOM 769 CA GLY A 45 10.301 -3.536 6.074 1.00 0.00 C ATOM 770 C GLY A 45 9.049 -4.229 6.592 1.00 0.00 C ATOM 771 O GLY A 45 8.839 -5.420 6.362 1.00 0.00 O ATOM 0 H GLY A 45 9.842 -4.441 4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.153 -3.815 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.182 -2.456 6.163 1.00 0.00 H new ATOM 775 N ARG A 46 8.235 -3.458 7.303 1.00 0.00 N ATOM 776 CA ARG A 46 7.067 -3.864 8.092 1.00 0.00 C ATOM 777 C ARG A 46 5.858 -3.006 7.702 1.00 0.00 C ATOM 778 O ARG A 46 6.006 -1.826 7.383 1.00 0.00 O ATOM 779 CB ARG A 46 7.455 -3.716 9.576 1.00 0.00 C ATOM 780 CG ARG A 46 6.393 -4.157 10.594 1.00 0.00 C ATOM 781 CD ARG A 46 6.904 -3.860 12.011 1.00 0.00 C ATOM 782 NE ARG A 46 6.078 -4.503 13.052 1.00 0.00 N ATOM 783 CZ ARG A 46 5.371 -3.916 14.002 1.00 0.00 C ATOM 784 NH1 ARG A 46 4.874 -4.633 14.969 1.00 0.00 N ATOM 785 NH2 ARG A 46 5.137 -2.637 14.040 1.00 0.00 N ATOM 0 H ARG A 46 8.383 -2.450 7.350 1.00 0.00 H new ATOM 0 HA ARG A 46 6.779 -4.898 7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.362 -4.293 9.754 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.700 -2.671 9.765 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.457 -3.629 10.413 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.185 -5.221 10.484 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.934 -4.205 12.103 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.914 -2.782 12.173 1.00 0.00 H new ATOM 0 HE ARG A 46 6.049 -5.522 13.036 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.031 -5.641 14.990 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.327 -4.187 15.706 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.507 -2.029 13.309 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.583 -2.242 14.800 1.00 0.00 H new ATOM 799 N LEU A 47 4.659 -3.582 7.718 1.00 0.00 N ATOM 800 CA LEU A 47 3.416 -2.868 7.403 1.00 0.00 C ATOM 801 C LEU A 47 2.712 -2.417 8.684 1.00 0.00 C ATOM 802 O LEU A 47 2.504 -3.227 9.590 1.00 0.00 O ATOM 803 CB LEU A 47 2.493 -3.802 6.606 1.00 0.00 C ATOM 804 CG LEU A 47 1.136 -3.186 6.204 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.265 -2.303 4.968 1.00 0.00 C ATOM 806 CD2 LEU A 47 0.116 -4.297 5.957 1.00 0.00 C ATOM 0 H LEU A 47 4.517 -4.565 7.951 1.00 0.00 H new ATOM 0 HA LEU A 47 3.653 -1.983 6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.014 -4.119 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.308 -4.698 7.198 1.00 0.00 H new ATOM 0 HG LEU A 47 0.794 -2.556 7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.290 -1.887 4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.964 -1.492 5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.633 -2.898 4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.840 -3.857 5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.470 -4.944 5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.010 -4.884 6.867 1.00 0.00 H new ATOM 818 N ARG A 48 2.211 -1.181 8.686 1.00 0.00 N ATOM 819 CA ARG A 48 1.140 -0.708 9.570 1.00 0.00 C ATOM 820 C ARG A 48 -0.004 -0.131 8.732 1.00 0.00 C ATOM 821 O ARG A 48 0.225 0.566 7.744 1.00 0.00 O ATOM 822 CB ARG A 48 1.720 0.337 10.543 1.00 0.00 C ATOM 823 CG ARG A 48 1.149 0.269 11.963 1.00 0.00 C ATOM 824 CD ARG A 48 1.685 -0.958 12.711 1.00 0.00 C ATOM 825 NE ARG A 48 1.360 -0.907 14.147 1.00 0.00 N ATOM 826 CZ ARG A 48 2.048 -0.293 15.094 1.00 0.00 C ATOM 827 NH1 ARG A 48 1.654 -0.363 16.334 1.00 0.00 N ATOM 828 NH2 ARG A 48 3.133 0.391 14.860 1.00 0.00 N ATOM 0 H ARG A 48 2.549 -0.457 8.053 1.00 0.00 H new ATOM 0 HA ARG A 48 0.735 -1.534 10.155 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.801 0.207 10.593 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.537 1.332 10.139 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.411 1.176 12.508 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.061 0.227 11.920 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.263 -1.863 12.274 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.766 -1.017 12.585 1.00 0.00 H new ATOM 0 HE ARG A 48 0.515 -1.397 14.441 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.815 -0.891 16.573 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.185 0.111 17.065 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.490 0.472 13.908 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.625 0.845 15.629 1.00 0.00 H new ATOM 842 N ILE A 49 -1.239 -0.399 9.132 1.00 0.00 N ATOM 843 CA ILE A 49 -2.437 0.267 8.600 1.00 0.00 C ATOM 844 C ILE A 49 -3.230 0.845 9.770 1.00 0.00 C ATOM 845 O ILE A 49 -3.539 0.143 10.735 1.00 0.00 O ATOM 846 CB ILE A 49 -3.282 -0.682 7.718 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.438 -1.222 6.538 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.542 0.016 7.187 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.214 -2.054 5.510 1.00 0.00 C ATOM 0 H ILE A 49 -1.449 -1.096 9.847 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.140 1.082 7.940 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.597 -1.518 8.343 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.977 -0.378 6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.629 -1.832 6.940 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.112 -0.680 6.571 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.156 0.345 8.025 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.254 0.879 6.587 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.536 -2.386 4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.653 -2.922 6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.006 -1.446 5.073 1.00 0.00 H new ATOM 861 N THR A 50 -3.567 2.125 9.668 1.00 0.00 N ATOM 862 CA THR A 50 -4.334 2.902 10.653 1.00 0.00 C ATOM 863 C THR A 50 -5.489 3.645 9.967 1.00 0.00 C ATOM 864 O THR A 50 -5.563 3.662 8.739 1.00 0.00 O ATOM 865 CB THR A 50 -3.422 3.910 11.376 1.00 0.00 C ATOM 866 OG1 THR A 50 -2.791 4.711 10.412 1.00 0.00 O ATOM 867 CG2 THR A 50 -2.316 3.260 12.209 1.00 0.00 C ATOM 0 H THR A 50 -3.302 2.684 8.857 1.00 0.00 H new ATOM 0 HA THR A 50 -4.744 2.209 11.388 1.00 0.00 H new ATOM 0 HB THR A 50 -4.064 4.473 12.053 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.319 5.446 10.856 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.717 4.035 12.687 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.762 2.624 12.973 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.680 2.657 11.561 1.00 0.00 H new ATOM 875 N SER A 51 -6.402 4.263 10.723 1.00 0.00 N ATOM 876 CA SER A 51 -7.487 5.097 10.195 1.00 0.00 C ATOM 877 C SER A 51 -7.976 6.167 11.172 1.00 0.00 C ATOM 878 O SER A 51 -8.421 5.872 12.279 1.00 0.00 O ATOM 879 CB SER A 51 -8.686 4.250 9.752 1.00 0.00 C ATOM 880 OG SER A 51 -9.226 3.487 10.818 1.00 0.00 O ATOM 0 H SER A 51 -6.408 4.196 11.741 1.00 0.00 H new ATOM 0 HA SER A 51 -7.049 5.606 9.337 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.459 4.902 9.346 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.379 3.581 8.948 1.00 0.00 H new ATOM 0 HG SER A 51 -9.079 3.958 11.665 1.00 0.00 H new ATOM 886 N LYS A 52 -7.960 7.422 10.727 1.00 0.00 N ATOM 887 CA LYS A 52 -8.645 8.556 11.353 1.00 0.00 C ATOM 888 C LYS A 52 -10.004 8.784 10.668 1.00 0.00 C ATOM 889 O LYS A 52 -10.135 9.589 9.745 1.00 0.00 O ATOM 890 CB LYS A 52 -7.709 9.764 11.300 1.00 0.00 C ATOM 891 CG LYS A 52 -8.227 10.945 12.126 1.00 0.00 C ATOM 892 CD LYS A 52 -7.668 12.276 11.610 1.00 0.00 C ATOM 893 CE LYS A 52 -6.137 12.333 11.521 1.00 0.00 C ATOM 894 NZ LYS A 52 -5.661 13.532 10.783 1.00 0.00 N ATOM 0 H LYS A 52 -7.449 7.690 9.886 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.872 8.366 12.402 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.725 9.473 11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.584 10.077 10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.316 10.967 12.089 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.946 10.811 13.171 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.084 12.471 10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.011 13.077 12.264 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.716 12.337 12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.770 11.434 11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.622 13.528 10.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.040 13.517 9.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.988 14.391 11.269 1.00 0.00 H new ATOM 908 N GLY A 53 -11.003 8.025 11.103 1.00 0.00 N ATOM 909 CA GLY A 53 -12.376 8.046 10.581 1.00 0.00 C ATOM 910 C GLY A 53 -12.497 7.321 9.238 1.00 0.00 C ATOM 911 O GLY A 53 -11.873 6.274 9.039 1.00 0.00 O ATOM 0 H GLY A 53 -10.880 7.350 11.858 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.045 7.580 11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.702 9.079 10.464 1.00 0.00 H new ATOM 915 N LYS A 54 -13.254 7.887 8.285 1.00 0.00 N ATOM 916 CA LYS A 54 -13.396 7.386 6.897 1.00 0.00 C ATOM 917 C LYS A 54 -12.168 7.692 6.014 1.00 0.00 C ATOM 918 O LYS A 54 -12.271 8.098 4.855 1.00 0.00 O ATOM 919 CB LYS A 54 -14.728 7.868 6.294 1.00 0.00 C ATOM 920 CG LYS A 54 -15.139 6.975 5.114 1.00 0.00 C ATOM 921 CD LYS A 54 -15.998 7.671 4.053 1.00 0.00 C ATOM 922 CE LYS A 54 -17.391 8.108 4.535 1.00 0.00 C ATOM 923 NZ LYS A 54 -17.401 9.462 5.157 1.00 0.00 N ATOM 0 H LYS A 54 -13.802 8.730 8.457 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.430 6.297 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.506 7.853 7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.630 8.901 5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.238 6.589 4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.688 6.116 5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.463 8.549 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.118 6.998 3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -18.080 8.099 3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.763 7.381 5.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.383 9.761 5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.892 9.431 6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.934 10.140 4.521 1.00 0.00 H new ATOM 937 N THR A 55 -10.984 7.508 6.588 1.00 0.00 N ATOM 938 CA THR A 55 -9.681 7.706 5.952 1.00 0.00 C ATOM 939 C THR A 55 -8.688 6.765 6.606 1.00 0.00 C ATOM 940 O THR A 55 -8.377 6.921 7.788 1.00 0.00 O ATOM 941 CB THR A 55 -9.190 9.154 6.125 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.209 10.110 5.895 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.092 9.442 5.107 1.00 0.00 C ATOM 0 H THR A 55 -10.900 7.202 7.557 1.00 0.00 H new ATOM 0 HA THR A 55 -9.772 7.504 4.885 1.00 0.00 H new ATOM 0 HB THR A 55 -8.842 9.238 7.155 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.846 11.012 6.019 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.743 10.468 5.228 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.261 8.755 5.264 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.486 9.310 4.099 1.00 0.00 H new ATOM 951 N ALA A 56 -8.208 5.775 5.855 1.00 0.00 N ATOM 952 CA ALA A 56 -7.100 4.935 6.291 1.00 0.00 C ATOM 953 C ALA A 56 -5.758 5.539 5.853 1.00 0.00 C ATOM 954 O ALA A 56 -5.695 6.379 4.952 1.00 0.00 O ATOM 955 CB ALA A 56 -7.316 3.472 5.881 1.00 0.00 C ATOM 0 H ALA A 56 -8.575 5.536 4.934 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.065 4.914 7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.473 2.871 6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.234 3.099 6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.395 3.406 4.796 1.00 0.00 H new ATOM 961 N TYR A 57 -4.682 5.121 6.511 1.00 0.00 N ATOM 962 CA TYR A 57 -3.325 5.567 6.265 1.00 0.00 C ATOM 963 C TYR A 57 -2.464 4.306 6.228 1.00 0.00 C ATOM 964 O TYR A 57 -2.284 3.627 7.244 1.00 0.00 O ATOM 965 CB TYR A 57 -2.883 6.560 7.355 1.00 0.00 C ATOM 966 CG TYR A 57 -3.681 7.855 7.419 1.00 0.00 C ATOM 967 CD1 TYR A 57 -4.945 7.886 8.045 1.00 0.00 C ATOM 968 CD2 TYR A 57 -3.156 9.037 6.859 1.00 0.00 C ATOM 969 CE1 TYR A 57 -5.706 9.067 8.061 1.00 0.00 C ATOM 970 CE2 TYR A 57 -3.901 10.233 6.905 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.184 10.249 7.494 1.00 0.00 C ATOM 972 OH TYR A 57 -5.901 11.406 7.526 1.00 0.00 O ATOM 0 H TYR A 57 -4.740 4.433 7.261 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.231 6.106 5.322 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.949 6.064 8.323 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.834 6.807 7.194 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.331 6.994 8.516 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.181 9.027 6.394 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.690 9.070 8.507 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.489 11.140 6.488 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.390 12.120 7.091 1.00 0.00 H new ATOM 982 N ILE A 58 -1.953 3.964 5.046 1.00 0.00 N ATOM 983 CA ILE A 58 -0.910 2.943 4.937 1.00 0.00 C ATOM 984 C ILE A 58 0.363 3.590 5.472 1.00 0.00 C ATOM 985 O ILE A 58 0.813 4.582 4.909 1.00 0.00 O ATOM 986 CB ILE A 58 -0.697 2.453 3.488 1.00 0.00 C ATOM 987 CG1 ILE A 58 -1.987 2.236 2.669 1.00 0.00 C ATOM 988 CG2 ILE A 58 0.172 1.188 3.527 1.00 0.00 C ATOM 989 CD1 ILE A 58 -2.982 1.229 3.241 1.00 0.00 C ATOM 0 H ILE A 58 -2.240 4.374 4.157 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.197 2.056 5.502 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.191 3.256 2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.492 3.196 2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.707 1.911 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.334 0.826 2.512 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.133 1.420 3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.333 0.418 4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.848 1.159 2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.506 0.252 3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.303 1.557 4.230 1.00 0.00 H new ATOM 1001 N LYS A 59 0.921 3.066 6.557 1.00 0.00 N ATOM 1002 CA LYS A 59 2.184 3.504 7.171 1.00 0.00 C ATOM 1003 C LYS A 59 3.230 2.394 7.042 1.00 0.00 C ATOM 1004 O LYS A 59 3.119 1.349 7.680 1.00 0.00 O ATOM 1005 CB LYS A 59 1.914 3.882 8.634 1.00 0.00 C ATOM 1006 CG LYS A 59 1.422 5.329 8.773 1.00 0.00 C ATOM 1007 CD LYS A 59 1.004 5.600 10.225 1.00 0.00 C ATOM 1008 CE LYS A 59 1.194 7.064 10.622 1.00 0.00 C ATOM 1009 NZ LYS A 59 0.206 7.958 9.982 1.00 0.00 N ATOM 0 H LYS A 59 0.492 2.289 7.060 1.00 0.00 H new ATOM 0 HA LYS A 59 2.581 4.382 6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.170 3.204 9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.826 3.752 9.216 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.211 6.021 8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.579 5.502 8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.042 5.323 10.357 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.588 4.966 10.893 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.114 7.156 11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.199 7.384 10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.134 8.842 10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.510 8.173 9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.722 7.489 9.958 1.00 0.00 H new ATOM 1023 N LEU A 60 4.247 2.598 6.206 1.00 0.00 N ATOM 1024 CA LEU A 60 5.327 1.628 6.008 1.00 0.00 C ATOM 1025 C LEU A 60 6.464 1.900 6.999 1.00 0.00 C ATOM 1026 O LEU A 60 6.948 3.027 7.104 1.00 0.00 O ATOM 1027 CB LEU A 60 5.789 1.663 4.543 1.00 0.00 C ATOM 1028 CG LEU A 60 4.736 1.154 3.540 1.00 0.00 C ATOM 1029 CD1 LEU A 60 5.208 1.445 2.119 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.506 -0.355 3.657 1.00 0.00 C ATOM 0 H LEU A 60 4.347 3.443 5.644 1.00 0.00 H new ATOM 0 HA LEU A 60 4.969 0.618 6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.059 2.686 4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.692 1.060 4.443 1.00 0.00 H new ATOM 0 HG LEU A 60 3.802 1.669 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.464 1.086 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.341 2.519 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.156 0.938 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.756 -0.666 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.440 -0.882 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.158 -0.593 4.662 1.00 0.00 H new ATOM 1042 N GLU A 61 6.882 0.871 7.730 1.00 0.00 N ATOM 1043 CA GLU A 61 7.798 0.943 8.875 1.00 0.00 C ATOM 1044 C GLU A 61 9.090 0.146 8.619 1.00 0.00 C ATOM 1045 O GLU A 61 9.067 -0.846 7.891 1.00 0.00 O ATOM 1046 CB GLU A 61 7.096 0.376 10.116 1.00 0.00 C ATOM 1047 CG GLU A 61 5.871 1.165 10.604 1.00 0.00 C ATOM 1048 CD GLU A 61 5.252 0.547 11.878 1.00 0.00 C ATOM 1049 OE1 GLU A 61 4.432 1.220 12.547 1.00 0.00 O ATOM 1050 OE2 GLU A 61 5.542 -0.625 12.218 1.00 0.00 O ATOM 0 H GLU A 61 6.580 -0.083 7.535 1.00 0.00 H new ATOM 0 HA GLU A 61 8.068 1.988 9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.785 -0.646 9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.820 0.324 10.929 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.161 2.196 10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.121 1.194 9.814 1.00 0.00 H new ATOM 1057 N ASP A 62 10.224 0.508 9.229 1.00 0.00 N ATOM 1058 CA ASP A 62 11.460 -0.264 9.096 1.00 0.00 C ATOM 1059 C ASP A 62 11.426 -1.535 9.969 1.00 0.00 C ATOM 1060 O ASP A 62 10.767 -1.583 11.013 1.00 0.00 O ATOM 1061 CB ASP A 62 12.686 0.628 9.347 1.00 0.00 C ATOM 1062 CG ASP A 62 13.169 0.573 10.794 1.00 0.00 C ATOM 1063 OD1 ASP A 62 12.748 1.411 11.615 1.00 0.00 O ATOM 1064 OD2 ASP A 62 13.934 -0.358 11.120 1.00 0.00 O ATOM 0 H ASP A 62 10.309 1.334 9.821 1.00 0.00 H new ATOM 0 HA ASP A 62 11.546 -0.619 8.069 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.496 0.319 8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.439 1.658 9.090 1.00 0.00 H new ATOM 1069 N LYS A 63 12.159 -2.571 9.547 1.00 0.00 N ATOM 1070 CA LYS A 63 12.106 -3.922 10.139 1.00 0.00 C ATOM 1071 C LYS A 63 12.828 -4.063 11.492 1.00 0.00 C ATOM 1072 O LYS A 63 12.803 -5.143 12.086 1.00 0.00 O ATOM 1073 CB LYS A 63 12.616 -4.947 9.102 1.00 0.00 C ATOM 1074 CG LYS A 63 11.685 -6.169 9.014 1.00 0.00 C ATOM 1075 CD LYS A 63 12.107 -7.182 7.936 1.00 0.00 C ATOM 1076 CE LYS A 63 12.058 -6.576 6.525 1.00 0.00 C ATOM 1077 NZ LYS A 63 12.411 -7.568 5.482 1.00 0.00 N ATOM 0 H LYS A 63 12.818 -2.498 8.772 1.00 0.00 H new ATOM 0 HA LYS A 63 11.062 -4.122 10.381 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.688 -4.472 8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.620 -5.272 9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.661 -6.669 9.982 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.670 -5.829 8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.118 -7.533 8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.452 -8.052 7.980 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.058 -6.187 6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.745 -5.731 6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.712 -7.072 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.187 -8.170 5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.582 -8.159 5.270 1.00 0.00 H new ATOM 1091 N VAL A 64 13.478 -3.000 11.973 1.00 0.00 N ATOM 1092 CA VAL A 64 14.369 -2.989 13.146 1.00 0.00 C ATOM 1093 C VAL A 64 13.847 -2.066 14.246 1.00 0.00 C ATOM 1094 O VAL A 64 13.840 -2.468 15.413 1.00 0.00 O ATOM 1095 CB VAL A 64 15.804 -2.570 12.747 1.00 0.00 C ATOM 1096 CG1 VAL A 64 16.801 -2.915 13.858 1.00 0.00 C ATOM 1097 CG2 VAL A 64 16.281 -3.238 11.448 1.00 0.00 C ATOM 0 H VAL A 64 13.397 -2.080 11.539 1.00 0.00 H new ATOM 0 HA VAL A 64 14.391 -4.006 13.538 1.00 0.00 H new ATOM 0 HB VAL A 64 15.765 -1.492 12.588 1.00 0.00 H new ATOM 0 HG11 VAL A 64 17.803 -2.611 13.555 1.00 0.00 H new ATOM 0 HG12 VAL A 64 16.523 -2.390 14.772 1.00 0.00 H new ATOM 0 HG13 VAL A 64 16.787 -3.990 14.039 1.00 0.00 H new ATOM 0 HG21 VAL A 64 17.294 -2.906 11.219 1.00 0.00 H new ATOM 0 HG22 VAL A 64 16.273 -4.321 11.572 1.00 0.00 H new ATOM 0 HG23 VAL A 64 15.615 -2.961 10.631 1.00 0.00 H new ATOM 1107 N SER A 65 13.374 -0.865 13.892 1.00 0.00 N ATOM 1108 CA SER A 65 12.976 0.169 14.861 1.00 0.00 C ATOM 1109 C SER A 65 11.537 0.672 14.692 1.00 0.00 C ATOM 1110 O SER A 65 11.030 1.375 15.571 1.00 0.00 O ATOM 1111 CB SER A 65 13.955 1.353 14.818 1.00 0.00 C ATOM 1112 OG SER A 65 15.274 0.932 15.146 1.00 0.00 O ATOM 0 H SER A 65 13.255 -0.579 12.920 1.00 0.00 H new ATOM 0 HA SER A 65 13.014 -0.316 15.837 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.948 1.800 13.824 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.631 2.124 15.517 1.00 0.00 H new ATOM 0 HG SER A 65 15.881 1.701 15.111 1.00 0.00 H new ATOM 1118 N GLY A 66 10.852 0.304 13.604 1.00 0.00 N ATOM 1119 CA GLY A 66 9.477 0.725 13.325 1.00 0.00 C ATOM 1120 C GLY A 66 9.342 2.174 12.826 1.00 0.00 C ATOM 1121 O GLY A 66 8.247 2.734 12.873 1.00 0.00 O ATOM 0 H GLY A 66 11.243 -0.303 12.883 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.050 0.056 12.578 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.884 0.610 14.232 1.00 0.00 H new ATOM 1125 N GLU A 67 10.432 2.802 12.374 1.00 0.00 N ATOM 1126 CA GLU A 67 10.445 4.183 11.868 1.00 0.00 C ATOM 1127 C GLU A 67 9.868 4.285 10.452 1.00 0.00 C ATOM 1128 O GLU A 67 9.923 3.333 9.672 1.00 0.00 O ATOM 1129 CB GLU A 67 11.862 4.775 11.893 1.00 0.00 C ATOM 1130 CG GLU A 67 12.415 4.974 13.309 1.00 0.00 C ATOM 1131 CD GLU A 67 11.573 5.941 14.171 1.00 0.00 C ATOM 1132 OE1 GLU A 67 11.391 5.675 15.384 1.00 0.00 O ATOM 1133 OE2 GLU A 67 11.104 6.985 13.654 1.00 0.00 O ATOM 0 H GLU A 67 11.350 2.358 12.348 1.00 0.00 H new ATOM 0 HA GLU A 67 9.807 4.761 12.537 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.532 4.118 11.339 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.856 5.734 11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.468 4.007 13.809 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.434 5.354 13.242 1.00 0.00 H new ATOM 1140 N LEU A 68 9.311 5.448 10.112 1.00 0.00 N ATOM 1141 CA LEU A 68 8.502 5.616 8.900 1.00 0.00 C ATOM 1142 C LEU A 68 9.359 5.718 7.620 1.00 0.00 C ATOM 1143 O LEU A 68 10.205 6.605 7.489 1.00 0.00 O ATOM 1144 CB LEU A 68 7.556 6.823 9.068 1.00 0.00 C ATOM 1145 CG LEU A 68 6.411 6.850 8.035 1.00 0.00 C ATOM 1146 CD1 LEU A 68 5.309 5.845 8.381 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.770 8.236 7.988 1.00 0.00 C ATOM 0 H LEU A 68 9.406 6.299 10.666 1.00 0.00 H new ATOM 0 HA LEU A 68 7.898 4.718 8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.130 6.805 10.071 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.134 7.743 8.983 1.00 0.00 H new ATOM 0 HG LEU A 68 6.853 6.590 7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.521 5.895 7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.728 4.839 8.401 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.892 6.084 9.359 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.964 8.239 7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.368 8.484 8.970 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.520 8.975 7.706 1.00 0.00 H new ATOM 1159 N PHE A 69 9.085 4.841 6.652 1.00 0.00 N ATOM 1160 CA PHE A 69 9.607 4.881 5.280 1.00 0.00 C ATOM 1161 C PHE A 69 8.753 5.794 4.384 1.00 0.00 C ATOM 1162 O PHE A 69 9.273 6.722 3.762 1.00 0.00 O ATOM 1163 CB PHE A 69 9.663 3.443 4.741 1.00 0.00 C ATOM 1164 CG PHE A 69 9.867 3.317 3.241 1.00 0.00 C ATOM 1165 CD1 PHE A 69 8.978 2.544 2.472 1.00 0.00 C ATOM 1166 CD2 PHE A 69 10.947 3.962 2.610 1.00 0.00 C ATOM 1167 CE1 PHE A 69 9.172 2.402 1.087 1.00 0.00 C ATOM 1168 CE2 PHE A 69 11.128 3.840 1.221 1.00 0.00 C ATOM 1169 CZ PHE A 69 10.242 3.058 0.456 1.00 0.00 C ATOM 0 H PHE A 69 8.465 4.046 6.808 1.00 0.00 H new ATOM 0 HA PHE A 69 10.611 5.305 5.279 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.472 2.915 5.246 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.736 2.936 5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.141 2.056 2.949 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.638 4.552 3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.498 1.788 0.508 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.950 4.348 0.739 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.384 2.963 -0.610 1.00 0.00 H new ATOM 1179 N ALA A 70 7.441 5.549 4.352 1.00 0.00 N ATOM 1180 CA ALA A 70 6.452 6.323 3.601 1.00 0.00 C ATOM 1181 C ALA A 70 5.052 6.170 4.219 1.00 0.00 C ATOM 1182 O ALA A 70 4.796 5.206 4.948 1.00 0.00 O ATOM 1183 CB ALA A 70 6.440 5.840 2.143 1.00 0.00 C ATOM 0 H ALA A 70 7.023 4.776 4.869 1.00 0.00 H new ATOM 0 HA ALA A 70 6.723 7.378 3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.705 6.412 1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.428 5.982 1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.179 4.782 2.112 1.00 0.00 H new ATOM 1189 N GLN A 71 4.129 7.079 3.887 1.00 0.00 N ATOM 1190 CA GLN A 71 2.707 6.904 4.199 1.00 0.00 C ATOM 1191 C GLN A 71 1.759 7.372 3.085 1.00 0.00 C ATOM 1192 O GLN A 71 2.030 8.366 2.410 1.00 0.00 O ATOM 1193 CB GLN A 71 2.343 7.533 5.555 1.00 0.00 C ATOM 1194 CG GLN A 71 2.545 9.056 5.624 1.00 0.00 C ATOM 1195 CD GLN A 71 2.143 9.635 6.979 1.00 0.00 C ATOM 1196 OE1 GLN A 71 1.314 9.099 7.703 1.00 0.00 O ATOM 1197 NE2 GLN A 71 2.703 10.757 7.376 1.00 0.00 N ATOM 0 H GLN A 71 4.344 7.949 3.399 1.00 0.00 H new ATOM 0 HA GLN A 71 2.557 5.827 4.272 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.300 7.307 5.779 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.945 7.063 6.333 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.591 9.290 5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.958 9.534 4.839 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.396 11.218 6.786 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.444 11.166 8.274 1.00 0.00 H new ATOM 1206 N ALA A 72 0.640 6.662 2.918 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.381 6.898 1.894 1.00 0.00 C ATOM 1208 C ALA A 72 -1.790 7.076 2.513 1.00 0.00 C ATOM 1209 O ALA A 72 -2.353 6.090 3.003 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.395 5.706 0.931 1.00 0.00 C ATOM 0 H ALA A 72 0.411 5.871 3.520 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.133 7.820 1.368 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.151 5.868 0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.584 5.606 0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.628 4.795 1.483 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.392 8.281 2.480 1.00 0.00 N ATOM 1217 CA PRO A 73 -3.783 8.498 2.893 1.00 0.00 C ATOM 1218 C PRO A 73 -4.787 8.012 1.833 1.00 0.00 C ATOM 1219 O PRO A 73 -4.636 8.347 0.652 1.00 0.00 O ATOM 1220 CB PRO A 73 -3.917 10.012 3.132 1.00 0.00 C ATOM 1221 CG PRO A 73 -2.476 10.518 3.209 1.00 0.00 C ATOM 1222 CD PRO A 73 -1.730 9.560 2.285 1.00 0.00 C ATOM 0 HA PRO A 73 -4.013 7.925 3.791 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.464 10.495 2.322 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.461 10.222 4.053 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.392 11.551 2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.089 10.481 4.227 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.789 9.884 1.246 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.672 9.503 2.542 1.00 0.00 H new ATOM 1230 N VAL A 74 -5.840 7.292 2.237 1.00 0.00 N ATOM 1231 CA VAL A 74 -6.918 6.777 1.361 1.00 0.00 C ATOM 1232 C VAL A 74 -8.307 7.157 1.853 1.00 0.00 C ATOM 1233 O VAL A 74 -8.622 6.948 3.017 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.816 5.251 1.176 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -6.882 4.393 2.437 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -7.874 4.712 0.206 1.00 0.00 C ATOM 0 H VAL A 74 -5.977 7.039 3.216 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.773 7.256 0.393 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.805 5.154 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.799 3.341 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.062 4.662 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.832 4.563 2.943 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.762 3.632 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.869 4.940 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.745 5.180 -0.770 1.00 0.00 H new ATOM 1246 N GLU A 75 -9.163 7.647 0.952 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.539 8.084 1.249 1.00 0.00 C ATOM 1248 C GLU A 75 -11.609 7.229 0.534 1.00 0.00 C ATOM 1249 O GLU A 75 -12.810 7.455 0.706 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.688 9.568 0.861 1.00 0.00 C ATOM 1251 CG GLU A 75 -9.818 10.507 1.707 1.00 0.00 C ATOM 1252 CD GLU A 75 -9.928 11.959 1.205 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -9.049 12.403 0.427 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -10.892 12.669 1.584 1.00 0.00 O ATOM 0 H GLU A 75 -8.916 7.755 -0.032 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.707 7.952 2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.426 9.690 -0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.733 9.860 0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.128 10.454 2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.779 10.182 1.666 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.190 6.267 -0.299 1.00 0.00 N ATOM 1262 CA GLN A 76 -12.039 5.356 -1.067 1.00 0.00 C ATOM 1263 C GLN A 76 -11.259 4.104 -1.505 1.00 0.00 C ATOM 1264 O GLN A 76 -10.092 4.211 -1.893 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.648 6.085 -2.287 1.00 0.00 C ATOM 1266 CG GLN A 76 -11.724 6.403 -3.480 1.00 0.00 C ATOM 1267 CD GLN A 76 -10.562 7.347 -3.166 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.670 8.562 -3.254 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -9.407 6.830 -2.803 1.00 0.00 N ATOM 0 H GLN A 76 -10.197 6.097 -0.461 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.854 5.026 -0.422 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -13.475 5.480 -2.658 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.074 7.025 -1.935 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.318 5.467 -3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.324 6.842 -4.277 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.303 5.818 -2.726 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.616 7.441 -2.599 1.00 0.00 H new ATOM 1278 N TYR A 77 -11.907 2.938 -1.504 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.330 1.677 -1.990 1.00 0.00 C ATOM 1280 C TYR A 77 -12.315 0.884 -2.879 1.00 0.00 C ATOM 1281 O TYR A 77 -13.431 0.613 -2.423 1.00 0.00 O ATOM 1282 CB TYR A 77 -10.851 0.833 -0.792 1.00 0.00 C ATOM 1283 CG TYR A 77 -9.947 -0.342 -1.137 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -8.882 -0.150 -2.032 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -10.099 -1.595 -0.513 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -7.975 -1.182 -2.312 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -9.190 -2.638 -0.791 1.00 0.00 C ATOM 1288 CZ TYR A 77 -8.122 -2.437 -1.689 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.227 -3.433 -1.926 1.00 0.00 O ATOM 0 H TYR A 77 -12.862 2.838 -1.161 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.476 1.917 -2.623 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.320 1.486 -0.099 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.726 0.453 -0.265 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.759 0.809 -2.513 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.912 -1.758 0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.164 -1.015 -3.005 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.314 -3.598 -0.312 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.663 -4.301 -1.798 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.939 0.481 -4.117 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.721 0.843 -4.864 1.00 0.00 C ATOM 1301 C PRO A 78 -10.559 2.353 -5.122 1.00 0.00 C ATOM 1302 O PRO A 78 -11.541 3.098 -5.129 1.00 0.00 O ATOM 1303 CB PRO A 78 -10.802 0.076 -6.192 1.00 0.00 C ATOM 1304 CG PRO A 78 -11.715 -1.105 -5.867 1.00 0.00 C ATOM 1305 CD PRO A 78 -12.710 -0.477 -4.896 1.00 0.00 C ATOM 0 HA PRO A 78 -9.846 0.577 -4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.215 0.695 -6.988 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.818 -0.257 -6.524 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.206 -1.498 -6.757 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.168 -1.931 -5.413 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.523 0.015 -5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.162 -1.233 -4.253 1.00 0.00 H new ATOM 1313 N GLY A 79 -9.322 2.807 -5.347 1.00 0.00 N ATOM 1314 CA GLY A 79 -9.009 4.203 -5.679 1.00 0.00 C ATOM 1315 C GLY A 79 -7.571 4.413 -6.165 1.00 0.00 C ATOM 1316 O GLY A 79 -6.855 3.461 -6.476 1.00 0.00 O ATOM 0 H GLY A 79 -8.498 2.208 -5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.698 4.547 -6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.180 4.824 -4.799 1.00 0.00 H new ATOM 1320 N ILE A 80 -7.123 5.671 -6.197 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.755 6.052 -6.598 1.00 0.00 C ATOM 1322 C ILE A 80 -4.746 5.786 -5.473 1.00 0.00 C ATOM 1323 O ILE A 80 -3.561 5.576 -5.730 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.727 7.526 -7.083 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.372 7.983 -7.664 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -6.109 8.523 -5.971 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -3.852 7.127 -8.825 1.00 0.00 C ATOM 0 H ILE A 80 -7.705 6.469 -5.942 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.451 5.425 -7.436 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.470 7.534 -7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.467 9.014 -8.005 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.630 7.978 -6.866 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.073 9.539 -6.365 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.117 8.306 -5.618 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.407 8.430 -5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.896 7.522 -9.169 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.720 6.099 -8.488 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.570 7.151 -9.645 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.215 5.757 -4.220 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.361 5.564 -3.060 1.00 0.00 C ATOM 1341 C ALA A 81 -4.084 4.100 -2.722 1.00 0.00 C ATOM 1342 O ALA A 81 -3.173 3.832 -1.945 1.00 0.00 O ATOM 1343 CB ALA A 81 -4.929 6.340 -1.871 1.00 0.00 C ATOM 0 H ALA A 81 -6.202 5.868 -3.990 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.380 5.965 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.288 6.194 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.972 7.401 -2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.932 5.978 -1.646 1.00 0.00 H new ATOM 1349 N VAL A 82 -4.826 3.169 -3.321 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.536 1.733 -3.303 1.00 0.00 C ATOM 1351 C VAL A 82 -5.262 1.047 -4.468 1.00 0.00 C ATOM 1352 O VAL A 82 -6.491 1.047 -4.554 1.00 0.00 O ATOM 1353 CB VAL A 82 -4.850 1.109 -1.937 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.209 1.501 -1.362 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.531 -0.388 -1.928 1.00 0.00 C ATOM 0 H VAL A 82 -5.669 3.398 -3.847 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.467 1.579 -3.448 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.170 1.558 -1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.349 1.016 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.252 2.583 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.998 1.185 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.763 -0.804 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.129 -0.892 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.473 -0.536 -2.143 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.478 0.470 -5.374 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.918 -0.187 -6.611 1.00 0.00 C ATOM 1367 C GLU A 83 -4.296 -1.584 -6.741 1.00 0.00 C ATOM 1368 O GLU A 83 -3.177 -1.817 -6.279 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.531 0.685 -7.826 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.686 0.943 -8.801 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.116 -0.328 -9.553 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.918 -1.114 -8.993 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -5.649 -0.547 -10.695 1.00 0.00 O ATOM 0 H GLU A 83 -3.464 0.444 -5.264 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.001 -0.302 -6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.151 1.642 -7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.716 0.200 -8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.539 1.343 -8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.386 1.704 -9.522 1.00 0.00 H new ATOM 1380 N THR A 84 -4.976 -2.505 -7.423 1.00 0.00 N ATOM 1381 CA THR A 84 -4.489 -3.864 -7.680 1.00 0.00 C ATOM 1382 C THR A 84 -4.010 -3.956 -9.121 1.00 0.00 C ATOM 1383 O THR A 84 -4.755 -4.311 -10.031 1.00 0.00 O ATOM 1384 CB THR A 84 -5.549 -4.931 -7.402 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.371 -4.613 -6.292 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.888 -6.266 -7.115 1.00 0.00 C ATOM 0 H THR A 84 -5.898 -2.326 -7.821 1.00 0.00 H new ATOM 0 HA THR A 84 -3.664 -4.060 -6.995 1.00 0.00 H new ATOM 0 HB THR A 84 -6.170 -4.979 -8.297 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.031 -5.325 -6.159 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.654 -7.016 -6.919 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.294 -6.570 -7.977 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.241 -6.172 -6.243 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.736 -3.614 -9.282 1.00 0.00 N ATOM 1395 CA VAL A 85 -1.812 -3.928 -10.392 1.00 0.00 C ATOM 1396 C VAL A 85 -2.447 -4.252 -11.751 1.00 0.00 C ATOM 1397 O VAL A 85 -2.406 -3.420 -12.659 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.802 -5.010 -9.963 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.287 -4.347 -9.118 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.395 -6.161 -9.142 1.00 0.00 C ATOM 0 H VAL A 85 -2.267 -3.052 -8.571 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.297 -2.987 -10.585 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.425 -5.449 -10.887 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.012 -5.098 -8.805 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.790 -3.581 -9.708 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.164 -3.889 -8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.607 -6.870 -8.888 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.836 -5.766 -8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.164 -6.666 -9.726 1.00 0.00 H new ATOM 1410 N THR A 86 -3.021 -5.448 -11.884 1.00 0.00 N ATOM 1411 CA THR A 86 -4.096 -5.758 -12.840 1.00 0.00 C ATOM 1412 C THR A 86 -5.215 -6.569 -12.198 1.00 0.00 C ATOM 1413 O THR A 86 -6.392 -6.255 -12.389 1.00 0.00 O ATOM 1414 CB THR A 86 -3.612 -6.555 -14.057 1.00 0.00 C ATOM 1415 OG1 THR A 86 -2.775 -7.624 -13.687 1.00 0.00 O ATOM 1416 CG2 THR A 86 -2.803 -5.677 -14.987 1.00 0.00 C ATOM 0 H THR A 86 -2.748 -6.251 -11.318 1.00 0.00 H new ATOM 0 HA THR A 86 -4.458 -4.781 -13.162 1.00 0.00 H new ATOM 0 HB THR A 86 -4.511 -6.931 -14.546 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.489 -8.108 -14.489 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.470 -6.264 -15.843 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.420 -4.848 -15.333 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.935 -5.286 -14.455 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.856 -7.626 -11.462 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.832 -8.607 -10.964 1.00 0.00 C ATOM 1426 C ASP A 87 -5.392 -9.339 -9.684 1.00 0.00 C ATOM 1427 O ASP A 87 -6.029 -9.163 -8.643 1.00 0.00 O ATOM 1428 CB ASP A 87 -6.166 -9.584 -12.095 1.00 0.00 C ATOM 1429 CG ASP A 87 -7.196 -10.633 -11.654 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -8.415 -10.346 -11.722 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -6.787 -11.737 -11.232 1.00 0.00 O ATOM 0 H ASP A 87 -3.892 -7.827 -11.196 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.726 -8.061 -10.664 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.553 -9.031 -12.951 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.255 -10.084 -12.424 1.00 0.00 H new ATOM 1436 N SER A 88 -4.300 -10.115 -9.728 1.00 0.00 N ATOM 1437 CA SER A 88 -3.668 -10.674 -8.516 1.00 0.00 C ATOM 1438 C SER A 88 -3.430 -9.646 -7.430 1.00 0.00 C ATOM 1439 O SER A 88 -2.882 -8.570 -7.668 1.00 0.00 O ATOM 1440 CB SER A 88 -2.276 -11.248 -8.725 1.00 0.00 C ATOM 1441 OG SER A 88 -1.896 -12.014 -7.607 1.00 0.00 O ATOM 0 H SER A 88 -3.830 -10.374 -10.596 1.00 0.00 H new ATOM 0 HA SER A 88 -4.395 -11.440 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.260 -11.867 -9.622 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.561 -10.440 -8.882 1.00 0.00 H new ATOM 0 HG SER A 88 -0.999 -12.381 -7.752 1.00 0.00 H new ATOM 1447 N SER A 89 -3.721 -10.066 -6.211 1.00 0.00 N ATOM 1448 CA SER A 89 -3.599 -9.266 -5.008 1.00 0.00 C ATOM 1449 C SER A 89 -2.521 -9.794 -4.058 1.00 0.00 C ATOM 1450 O SER A 89 -2.632 -9.654 -2.843 1.00 0.00 O ATOM 1451 CB SER A 89 -5.001 -9.088 -4.452 1.00 0.00 C ATOM 1452 OG SER A 89 -5.605 -10.335 -4.117 1.00 0.00 O ATOM 0 H SER A 89 -4.062 -11.010 -6.027 1.00 0.00 H new ATOM 0 HA SER A 89 -3.211 -8.268 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.962 -8.455 -3.566 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.619 -8.571 -5.186 1.00 0.00 H new ATOM 0 HG SER A 89 -6.505 -10.178 -3.761 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.444 -10.366 -4.630 1.00 0.00 N ATOM 1459 CA ARG A 90 -0.092 -10.434 -4.023 1.00 0.00 C ATOM 1460 C ARG A 90 0.614 -9.068 -4.031 1.00 0.00 C ATOM 1461 O ARG A 90 1.472 -8.799 -3.187 1.00 0.00 O ATOM 1462 CB ARG A 90 0.760 -11.458 -4.795 1.00 0.00 C ATOM 1463 CG ARG A 90 2.006 -11.927 -4.015 1.00 0.00 C ATOM 1464 CD ARG A 90 2.928 -12.863 -4.816 1.00 0.00 C ATOM 1465 NE ARG A 90 2.309 -14.171 -5.126 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.579 -14.470 -6.189 1.00 0.00 C ATOM 1467 NH1 ARG A 90 1.070 -15.656 -6.342 1.00 0.00 N ATOM 1468 NH2 ARG A 90 1.319 -13.590 -7.103 1.00 0.00 N ATOM 0 H ARG A 90 -1.487 -10.806 -5.549 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.207 -10.740 -2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.144 -12.324 -5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.076 -11.018 -5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.576 -11.053 -3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.683 -12.439 -3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.211 -12.373 -5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.846 -13.028 -4.251 1.00 0.00 H new ATOM 0 HE ARG A 90 2.461 -14.920 -4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.230 -16.375 -5.636 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.510 -15.868 -7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.679 -12.640 -7.014 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.754 -13.847 -7.912 1.00 0.00 H new ATOM 1482 N TYR A 91 0.243 -8.220 -4.993 1.00 0.00 N ATOM 1483 CA TYR A 91 0.828 -6.906 -5.254 1.00 0.00 C ATOM 1484 C TYR A 91 -0.230 -5.797 -5.251 1.00 0.00 C ATOM 1485 O TYR A 91 -1.406 -6.045 -5.523 1.00 0.00 O ATOM 1486 CB TYR A 91 1.531 -6.901 -6.619 1.00 0.00 C ATOM 1487 CG TYR A 91 2.417 -8.088 -6.925 1.00 0.00 C ATOM 1488 CD1 TYR A 91 3.716 -8.151 -6.392 1.00 0.00 C ATOM 1489 CD2 TYR A 91 1.948 -9.108 -7.777 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.540 -9.255 -6.680 1.00 0.00 C ATOM 1491 CE2 TYR A 91 2.774 -10.204 -8.079 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.065 -10.292 -7.515 1.00 0.00 C ATOM 1493 OH TYR A 91 4.835 -11.384 -7.766 1.00 0.00 O ATOM 0 H TYR A 91 -0.511 -8.444 -5.642 1.00 0.00 H new ATOM 0 HA TYR A 91 1.542 -6.712 -4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.769 -6.835 -7.395 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.136 -5.997 -6.688 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.081 -7.353 -5.762 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.955 -9.047 -8.197 1.00 0.00 H new ATOM 0 HE1 TYR A 91 5.535 -9.310 -6.263 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.421 -10.979 -8.743 1.00 0.00 H new ATOM 0 HH TYR A 91 4.351 -11.996 -8.358 1.00 0.00 H new ATOM 1503 N PHE A 92 0.217 -4.563 -5.018 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.600 -3.344 -5.068 1.00 0.00 C ATOM 1505 C PHE A 92 0.210 -2.159 -5.596 1.00 0.00 C ATOM 1506 O PHE A 92 1.432 -2.237 -5.713 1.00 0.00 O ATOM 1507 CB PHE A 92 -1.149 -3.022 -3.669 1.00 0.00 C ATOM 1508 CG PHE A 92 -2.014 -4.126 -3.105 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.464 -5.036 -2.186 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -3.343 -4.280 -3.545 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.250 -6.094 -1.705 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -4.122 -5.352 -3.073 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.572 -6.260 -2.152 1.00 0.00 C ATOM 0 H PHE A 92 1.191 -4.375 -4.781 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.431 -3.520 -5.751 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.315 -2.839 -2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.730 -2.101 -3.716 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.443 -4.922 -1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.764 -3.574 -4.246 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.836 -6.786 -0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.138 -5.477 -3.417 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.165 -7.086 -1.788 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.462 -1.041 -5.861 1.00 0.00 N ATOM 1524 CA VAL A 93 0.156 0.282 -6.016 1.00 0.00 C ATOM 1525 C VAL A 93 -0.550 1.275 -5.099 1.00 0.00 C ATOM 1526 O VAL A 93 -1.778 1.309 -5.088 1.00 0.00 O ATOM 1527 CB VAL A 93 0.119 0.766 -7.477 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.759 2.153 -7.609 1.00 0.00 C ATOM 1529 CG2 VAL A 93 0.870 -0.208 -8.392 1.00 0.00 C ATOM 0 H VAL A 93 -1.475 -1.025 -5.977 1.00 0.00 H new ATOM 0 HA VAL A 93 1.207 0.207 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.928 0.817 -7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.721 2.474 -8.650 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.214 2.866 -6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.798 2.107 -7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.831 0.154 -9.419 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.910 -0.280 -8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.404 -1.192 -8.336 1.00 0.00 H new ATOM 1539 N ILE A 94 0.200 2.088 -4.350 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.348 3.133 -3.468 1.00 0.00 C ATOM 1541 C ILE A 94 0.270 4.507 -3.756 1.00 0.00 C ATOM 1542 O ILE A 94 1.432 4.599 -4.165 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.237 2.749 -1.971 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.214 2.710 -1.457 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.912 1.397 -1.685 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.290 2.484 0.057 1.00 0.00 C ATOM 0 H ILE A 94 1.219 2.042 -4.336 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.412 3.210 -3.694 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.758 3.541 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.757 1.915 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.711 3.647 -1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.815 1.159 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.968 1.454 -1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.432 0.618 -2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.334 2.464 0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.772 3.293 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.818 1.534 0.307 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.495 5.580 -3.509 1.00 0.00 N ATOM 1559 CA ARG A 95 -0.011 6.973 -3.569 1.00 0.00 C ATOM 1560 C ARG A 95 0.461 7.434 -2.190 1.00 0.00 C ATOM 1561 O ARG A 95 -0.338 7.602 -1.277 1.00 0.00 O ATOM 1562 CB ARG A 95 -1.041 7.906 -4.248 1.00 0.00 C ATOM 1563 CG ARG A 95 -2.251 8.334 -3.401 1.00 0.00 C ATOM 1564 CD ARG A 95 -2.075 9.663 -2.669 1.00 0.00 C ATOM 1565 NE ARG A 95 -3.192 9.858 -1.720 1.00 0.00 N ATOM 1566 CZ ARG A 95 -4.167 10.748 -1.766 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -5.122 10.682 -0.887 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -4.225 11.691 -2.662 1.00 0.00 N ATOM 0 H ARG A 95 -1.481 5.507 -3.258 1.00 0.00 H new ATOM 0 HA ARG A 95 0.866 7.023 -4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.520 8.806 -4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.412 7.408 -5.144 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.125 8.404 -4.049 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.459 7.555 -2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.125 9.673 -2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.046 10.484 -3.386 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.212 9.221 -0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.111 9.951 -0.176 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.883 11.361 -0.908 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.496 11.766 -3.371 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.000 12.354 -2.655 1.00 0.00 H new ATOM 1582 N ILE A 96 1.758 7.633 -2.027 1.00 0.00 N ATOM 1583 CA ILE A 96 2.385 8.106 -0.786 1.00 0.00 C ATOM 1584 C ILE A 96 2.656 9.610 -0.835 1.00 0.00 C ATOM 1585 O ILE A 96 2.969 10.146 -1.895 1.00 0.00 O ATOM 1586 CB ILE A 96 3.672 7.317 -0.471 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.651 7.313 -1.663 1.00 0.00 C ATOM 1588 CG2 ILE A 96 3.316 5.882 -0.055 1.00 0.00 C ATOM 1589 CD1 ILE A 96 6.085 7.008 -1.257 1.00 0.00 C ATOM 0 H ILE A 96 2.433 7.467 -2.774 1.00 0.00 H new ATOM 0 HA ILE A 96 1.680 7.925 0.025 1.00 0.00 H new ATOM 0 HB ILE A 96 4.178 7.815 0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.322 6.574 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.618 8.285 -2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.230 5.330 0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.683 5.907 0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.782 5.389 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.724 7.020 -2.140 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.431 7.761 -0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.130 6.024 -0.790 1.00 0.00 H new ATOM 1601 N GLN A 97 2.594 10.295 0.305 1.00 0.00 N ATOM 1602 CA GLN A 97 3.069 11.678 0.438 1.00 0.00 C ATOM 1603 C GLN A 97 4.603 11.722 0.534 1.00 0.00 C ATOM 1604 O GLN A 97 5.207 10.898 1.225 1.00 0.00 O ATOM 1605 CB GLN A 97 2.437 12.318 1.687 1.00 0.00 C ATOM 1606 CG GLN A 97 0.987 12.780 1.470 1.00 0.00 C ATOM 1607 CD GLN A 97 0.905 14.238 1.023 1.00 0.00 C ATOM 1608 OE1 GLN A 97 0.807 15.157 1.827 1.00 0.00 O ATOM 1609 NE2 GLN A 97 0.964 14.528 -0.256 1.00 0.00 N ATOM 0 H GLN A 97 2.212 9.908 1.168 1.00 0.00 H new ATOM 0 HA GLN A 97 2.771 12.240 -0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.463 11.600 2.506 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.041 13.172 1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.514 12.145 0.721 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.425 12.654 2.395 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.046 13.781 -0.945 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.928 15.501 -0.561 1.00 0.00 H new ATOM 1682 N SER A 103 3.067 14.116 -3.787 1.00 0.00 N ATOM 1683 CA SER A 103 2.928 12.655 -3.692 1.00 0.00 C ATOM 1684 C SER A 103 3.676 11.883 -4.790 1.00 0.00 C ATOM 1685 O SER A 103 3.980 12.422 -5.858 1.00 0.00 O ATOM 1686 CB SER A 103 1.443 12.266 -3.703 1.00 0.00 C ATOM 1687 OG SER A 103 0.782 12.784 -2.558 1.00 0.00 O ATOM 0 HA SER A 103 3.392 12.370 -2.748 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.968 12.647 -4.607 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.346 11.181 -3.726 1.00 0.00 H new ATOM 0 HG SER A 103 0.841 12.136 -1.825 1.00 0.00 H new ATOM 1693 N ALA A 104 3.943 10.603 -4.523 1.00 0.00 N ATOM 1694 CA ALA A 104 4.581 9.628 -5.412 1.00 0.00 C ATOM 1695 C ALA A 104 3.828 8.288 -5.406 1.00 0.00 C ATOM 1696 O ALA A 104 3.203 7.929 -4.410 1.00 0.00 O ATOM 1697 CB ALA A 104 6.045 9.457 -4.987 1.00 0.00 C ATOM 0 H ALA A 104 3.704 10.192 -3.621 1.00 0.00 H new ATOM 0 HA ALA A 104 4.547 9.995 -6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.532 8.733 -5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.559 10.415 -5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.086 9.101 -3.958 1.00 0.00 H new ATOM 1703 N PHE A 105 3.898 7.528 -6.499 1.00 0.00 N ATOM 1704 CA PHE A 105 3.316 6.184 -6.578 1.00 0.00 C ATOM 1705 C PHE A 105 4.383 5.107 -6.339 1.00 0.00 C ATOM 1706 O PHE A 105 5.439 5.123 -6.977 1.00 0.00 O ATOM 1707 CB PHE A 105 2.583 6.001 -7.915 1.00 0.00 C ATOM 1708 CG PHE A 105 1.630 7.140 -8.238 1.00 0.00 C ATOM 1709 CD1 PHE A 105 1.977 8.085 -9.223 1.00 0.00 C ATOM 1710 CD2 PHE A 105 0.436 7.299 -7.508 1.00 0.00 C ATOM 1711 CE1 PHE A 105 1.134 9.181 -9.479 1.00 0.00 C ATOM 1712 CE2 PHE A 105 -0.412 8.389 -7.777 1.00 0.00 C ATOM 1713 CZ PHE A 105 -0.068 9.329 -8.762 1.00 0.00 C ATOM 0 H PHE A 105 4.361 7.826 -7.358 1.00 0.00 H new ATOM 0 HA PHE A 105 2.578 6.069 -5.784 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.318 5.913 -8.715 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.025 5.065 -7.890 1.00 0.00 H new ATOM 0 HD1 PHE A 105 2.893 7.968 -9.783 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.172 6.585 -6.742 1.00 0.00 H new ATOM 0 HE1 PHE A 105 1.409 9.910 -10.227 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -1.332 8.503 -7.223 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.723 10.162 -8.969 1.00 0.00 H new ATOM 1723 N ILE A 106 4.101 4.160 -5.441 1.00 0.00 N ATOM 1724 CA ILE A 106 4.935 2.964 -5.211 1.00 0.00 C ATOM 1725 C ILE A 106 4.163 1.669 -5.454 1.00 0.00 C ATOM 1726 O ILE A 106 3.029 1.514 -5.003 1.00 0.00 O ATOM 1727 CB ILE A 106 5.620 2.939 -3.824 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.625 3.007 -2.643 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.632 4.096 -3.745 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.262 2.783 -1.268 1.00 0.00 C ATOM 0 H ILE A 106 3.277 4.197 -4.842 1.00 0.00 H new ATOM 0 HA ILE A 106 5.733 3.033 -5.950 1.00 0.00 H new ATOM 0 HB ILE A 106 6.127 1.979 -3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.137 3.982 -2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.846 2.260 -2.796 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.120 4.087 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.382 3.978 -4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.112 5.044 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.495 2.847 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.725 1.797 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.020 3.545 -1.090 1.00 0.00 H new ATOM 1742 N GLY A 107 4.813 0.724 -6.133 1.00 0.00 N ATOM 1743 CA GLY A 107 4.371 -0.664 -6.229 1.00 0.00 C ATOM 1744 C GLY A 107 4.827 -1.459 -5.007 1.00 0.00 C ATOM 1745 O GLY A 107 5.958 -1.293 -4.550 1.00 0.00 O ATOM 0 H GLY A 107 5.678 0.907 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.285 -0.701 -6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.773 -1.117 -7.135 1.00 0.00 H new ATOM 1749 N ILE A 108 3.959 -2.316 -4.477 1.00 0.00 N ATOM 1750 CA ILE A 108 4.218 -3.163 -3.306 1.00 0.00 C ATOM 1751 C ILE A 108 4.080 -4.637 -3.707 1.00 0.00 C ATOM 1752 O ILE A 108 3.205 -4.972 -4.505 1.00 0.00 O ATOM 1753 CB ILE A 108 3.272 -2.833 -2.124 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.245 -1.306 -1.879 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.737 -3.585 -0.865 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.559 -0.862 -0.586 1.00 0.00 C ATOM 0 H ILE A 108 3.023 -2.448 -4.860 1.00 0.00 H new ATOM 0 HA ILE A 108 5.233 -2.965 -2.963 1.00 0.00 H new ATOM 0 HB ILE A 108 2.259 -3.156 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.271 -0.938 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.742 -0.829 -2.720 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.070 -3.352 -0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.718 -4.658 -1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.752 -3.279 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.594 0.225 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.520 -1.192 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.073 -1.302 0.268 1.00 0.00 H new ATOM 1768 N GLY A 109 4.881 -5.518 -3.110 1.00 0.00 N ATOM 1769 CA GLY A 109 4.696 -6.970 -3.139 1.00 0.00 C ATOM 1770 C GLY A 109 5.034 -7.608 -1.791 1.00 0.00 C ATOM 1771 O GLY A 109 6.055 -7.291 -1.179 1.00 0.00 O ATOM 0 H GLY A 109 5.702 -5.233 -2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.664 -7.201 -3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.327 -7.402 -3.915 1.00 0.00 H new ATOM 1775 N PHE A 110 4.177 -8.507 -1.316 1.00 0.00 N ATOM 1776 CA PHE A 110 4.386 -9.230 -0.057 1.00 0.00 C ATOM 1777 C PHE A 110 5.085 -10.580 -0.263 1.00 0.00 C ATOM 1778 O PHE A 110 5.076 -11.158 -1.353 1.00 0.00 O ATOM 1779 CB PHE A 110 3.055 -9.413 0.676 1.00 0.00 C ATOM 1780 CG PHE A 110 2.449 -8.144 1.261 1.00 0.00 C ATOM 1781 CD1 PHE A 110 2.383 -8.008 2.661 1.00 0.00 C ATOM 1782 CD2 PHE A 110 1.942 -7.111 0.441 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.797 -6.872 3.240 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.376 -5.963 1.022 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.306 -5.842 2.419 1.00 0.00 C ATOM 0 H PHE A 110 3.312 -8.759 -1.794 1.00 0.00 H new ATOM 0 HA PHE A 110 5.052 -8.624 0.557 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.337 -9.852 -0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.200 -10.131 1.483 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.787 -8.784 3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 110 1.989 -7.204 -0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.723 -6.789 4.314 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.994 -5.173 0.393 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.875 -4.957 2.863 1.00 0.00 H new ATOM 1795 N THR A 111 5.660 -11.103 0.824 1.00 0.00 N ATOM 1796 CA THR A 111 6.316 -12.419 0.859 1.00 0.00 C ATOM 1797 C THR A 111 5.316 -13.583 0.819 1.00 0.00 C ATOM 1798 O THR A 111 5.645 -14.686 0.379 1.00 0.00 O ATOM 1799 CB THR A 111 7.241 -12.484 2.081 1.00 0.00 C ATOM 1800 OG1 THR A 111 8.191 -13.519 1.932 1.00 0.00 O ATOM 1801 CG2 THR A 111 6.513 -12.686 3.410 1.00 0.00 C ATOM 0 H THR A 111 5.685 -10.618 1.721 1.00 0.00 H new ATOM 0 HA THR A 111 6.914 -12.533 -0.045 1.00 0.00 H new ATOM 0 HB THR A 111 7.724 -11.508 2.120 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.773 -13.545 2.720 1.00 0.00 H new ATOM 0 HG21 THR A 111 7.240 -12.721 4.221 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.823 -11.859 3.576 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.956 -13.623 3.381 1.00 0.00 H new ATOM 1809 N ASP A 112 4.069 -13.322 1.229 1.00 0.00 N ATOM 1810 CA ASP A 112 2.950 -14.271 1.215 1.00 0.00 C ATOM 1811 C ASP A 112 1.707 -13.702 0.503 1.00 0.00 C ATOM 1812 O ASP A 112 1.325 -12.546 0.720 1.00 0.00 O ATOM 1813 CB ASP A 112 2.616 -14.695 2.655 1.00 0.00 C ATOM 1814 CG ASP A 112 1.834 -16.015 2.685 1.00 0.00 C ATOM 1815 OD1 ASP A 112 0.620 -15.991 2.384 1.00 0.00 O ATOM 1816 OD2 ASP A 112 2.435 -17.074 2.982 1.00 0.00 O ATOM 0 H ASP A 112 3.802 -12.408 1.594 1.00 0.00 H new ATOM 0 HA ASP A 112 3.259 -15.146 0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.538 -14.804 3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 112 2.031 -13.913 3.139 1.00 0.00 H new ATOM 1821 N ARG A 113 1.035 -14.532 -0.309 1.00 0.00 N ATOM 1822 CA ARG A 113 -0.222 -14.194 -1.006 1.00 0.00 C ATOM 1823 C ARG A 113 -1.341 -13.804 -0.033 1.00 0.00 C ATOM 1824 O ARG A 113 -2.124 -12.904 -0.334 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.631 -15.406 -1.872 1.00 0.00 C ATOM 1826 CG ARG A 113 -1.820 -15.177 -2.822 1.00 0.00 C ATOM 1827 CD ARG A 113 -1.498 -14.139 -3.903 1.00 0.00 C ATOM 1828 NE ARG A 113 -2.500 -14.102 -4.982 1.00 0.00 N ATOM 1829 CZ ARG A 113 -3.656 -13.476 -4.991 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -4.363 -13.526 -6.075 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -4.105 -12.794 -3.973 1.00 0.00 N ATOM 0 H ARG A 113 1.356 -15.480 -0.506 1.00 0.00 H new ATOM 0 HA ARG A 113 -0.057 -13.319 -1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.231 -15.712 -2.465 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.874 -16.237 -1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -2.093 -16.120 -3.295 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -2.685 -14.846 -2.247 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -1.430 -13.153 -3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.520 -14.359 -4.330 1.00 0.00 H new ATOM 0 HE ARG A 113 -2.269 -14.626 -5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.018 -14.040 -6.886 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -5.265 -13.052 -6.118 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -3.551 -12.729 -3.119 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -5.010 -12.326 -4.032 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.391 -14.436 1.141 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.347 -14.146 2.209 1.00 0.00 C ATOM 1847 C GLY A 114 -2.039 -12.864 2.986 1.00 0.00 C ATOM 1848 O GLY A 114 -2.968 -12.170 3.391 1.00 0.00 O ATOM 0 H GLY A 114 -0.746 -15.188 1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.345 -14.067 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.365 -14.985 2.904 1.00 0.00 H new ATOM 1852 N ASP A 115 -0.764 -12.486 3.135 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.389 -11.226 3.798 1.00 0.00 C ATOM 1854 C ASP A 115 -0.797 -10.004 2.958 1.00 0.00 C ATOM 1855 O ASP A 115 -1.298 -9.017 3.498 1.00 0.00 O ATOM 1856 CB ASP A 115 1.107 -11.201 4.150 1.00 0.00 C ATOM 1857 CG ASP A 115 1.498 -12.162 5.289 1.00 0.00 C ATOM 1858 OD1 ASP A 115 0.619 -12.563 6.090 1.00 0.00 O ATOM 1859 OD2 ASP A 115 2.704 -12.472 5.419 1.00 0.00 O ATOM 0 H ASP A 115 0.030 -13.035 2.805 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.943 -11.171 4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.684 -11.455 3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.387 -10.186 4.433 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.687 -10.107 1.632 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.221 -9.113 0.705 1.00 0.00 C ATOM 1866 C ALA A 116 -2.760 -9.161 0.595 1.00 0.00 C ATOM 1867 O ALA A 116 -3.418 -8.121 0.538 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.574 -9.361 -0.650 1.00 0.00 C ATOM 0 H ALA A 116 -0.221 -10.888 1.170 1.00 0.00 H new ATOM 0 HA ALA A 116 -0.986 -8.116 1.078 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.950 -8.635 -1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.507 -9.258 -0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.816 -10.368 -0.990 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.376 -10.345 0.639 1.00 0.00 N ATOM 1875 CA PHE A 117 -4.838 -10.447 0.678 1.00 0.00 C ATOM 1876 C PHE A 117 -5.426 -9.819 1.958 1.00 0.00 C ATOM 1877 O PHE A 117 -6.486 -9.197 1.904 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.244 -11.912 0.504 1.00 0.00 C ATOM 1879 CG PHE A 117 -6.729 -12.120 0.289 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.545 -12.542 1.355 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.298 -11.902 -0.979 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -8.916 -12.772 1.149 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.675 -12.086 -1.173 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.486 -12.532 -0.114 1.00 0.00 C ATOM 0 H PHE A 117 -2.889 -11.241 0.648 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.258 -9.872 -0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.703 -12.330 -0.345 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -4.934 -12.471 1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.116 -12.690 2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -6.674 -11.593 -1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.531 -13.133 1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.114 -11.884 -2.139 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.543 -12.690 -0.270 1.00 0.00 H new ATOM 1894 N ASP A 118 -4.706 -9.876 3.087 1.00 0.00 N ATOM 1895 CA ASP A 118 -5.056 -9.166 4.320 1.00 0.00 C ATOM 1896 C ASP A 118 -4.863 -7.652 4.177 1.00 0.00 C ATOM 1897 O ASP A 118 -5.667 -6.896 4.721 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.226 -9.688 5.506 1.00 0.00 C ATOM 1899 CG ASP A 118 -4.750 -11.004 6.095 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -5.982 -11.174 6.228 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -3.932 -11.878 6.471 1.00 0.00 O ATOM 0 H ASP A 118 -3.851 -10.426 3.168 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.112 -9.357 4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.195 -9.831 5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.212 -8.930 6.289 1.00 0.00 H new ATOM 1906 N PHE A 119 -3.868 -7.184 3.413 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.704 -5.762 3.105 1.00 0.00 C ATOM 1908 C PHE A 119 -4.930 -5.200 2.356 1.00 0.00 C ATOM 1909 O PHE A 119 -5.416 -4.119 2.692 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.386 -5.556 2.341 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.151 -4.160 1.803 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -2.688 -3.773 0.562 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -1.361 -3.254 2.522 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -2.425 -2.495 0.041 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -1.136 -1.961 2.028 1.00 0.00 C ATOM 1916 CZ PHE A 119 -1.662 -1.581 0.783 1.00 0.00 C ATOM 0 H PHE A 119 -3.156 -7.781 2.993 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.645 -5.194 4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.559 -5.815 3.003 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.358 -6.257 1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.306 -4.462 0.006 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -0.922 -3.553 3.463 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.810 -2.217 -0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.557 -1.256 2.606 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.480 -0.589 0.398 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.496 -5.972 1.420 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.790 -5.681 0.793 1.00 0.00 C ATOM 1928 C ASN A 120 -7.946 -5.724 1.812 1.00 0.00 C ATOM 1929 O ASN A 120 -8.660 -4.732 1.965 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.987 -6.637 -0.400 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.438 -6.905 -0.772 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -9.155 -6.068 -1.298 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.927 -8.092 -0.495 1.00 0.00 N ATOM 0 H ASN A 120 -5.062 -6.827 1.073 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.795 -4.659 0.413 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.475 -6.222 -1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.505 -7.587 -0.169 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -9.898 -8.308 -0.719 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.336 -8.797 -0.056 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.131 -6.831 2.541 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.285 -7.009 3.449 1.00 0.00 C ATOM 1942 C VAL A 121 -9.312 -5.969 4.578 1.00 0.00 C ATOM 1943 O VAL A 121 -10.391 -5.507 4.954 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.338 -8.455 3.996 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.369 -8.653 5.116 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -9.715 -9.437 2.878 1.00 0.00 C ATOM 0 H VAL A 121 -7.494 -7.627 2.523 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.187 -6.839 2.861 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.341 -8.643 4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.349 -9.691 5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.127 -7.998 5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.364 -8.411 4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.748 -10.450 3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.694 -9.174 2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -8.971 -9.386 2.083 1.00 0.00 H new ATOM 1956 N SER A 122 -8.146 -5.517 5.047 1.00 0.00 N ATOM 1957 CA SER A 122 -8.012 -4.435 6.037 1.00 0.00 C ATOM 1958 C SER A 122 -8.621 -3.109 5.569 1.00 0.00 C ATOM 1959 O SER A 122 -9.049 -2.310 6.402 1.00 0.00 O ATOM 1960 CB SER A 122 -6.536 -4.186 6.362 1.00 0.00 C ATOM 1961 OG SER A 122 -5.942 -5.352 6.896 1.00 0.00 O ATOM 0 H SER A 122 -7.249 -5.898 4.746 1.00 0.00 H new ATOM 0 HA SER A 122 -8.559 -4.772 6.918 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.006 -3.881 5.460 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.448 -3.367 7.076 1.00 0.00 H new ATOM 0 HG SER A 122 -5.720 -5.969 6.168 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.687 -2.875 4.252 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.324 -1.699 3.651 1.00 0.00 C ATOM 1969 C LEU A 123 -10.766 -1.986 3.208 1.00 0.00 C ATOM 1970 O LEU A 123 -11.630 -1.128 3.384 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.454 -1.180 2.498 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.014 -0.819 2.905 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.224 -0.393 1.676 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.939 0.300 3.948 1.00 0.00 C ATOM 0 H LEU A 123 -8.290 -3.512 3.561 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.399 -0.918 4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.419 -1.938 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.929 -0.299 2.068 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.590 -1.716 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.205 -0.138 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.201 -1.211 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.699 0.476 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -5.896 0.503 4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.402 1.202 3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.466 -0.008 4.851 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.074 -3.195 2.716 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.458 -3.596 2.410 1.00 0.00 C ATOM 1988 C GLN A 124 -13.354 -3.450 3.651 1.00 0.00 C ATOM 1989 O GLN A 124 -14.366 -2.756 3.612 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.533 -5.049 1.901 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.793 -5.332 0.584 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.365 -4.642 -0.655 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -13.441 -4.056 -0.664 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -11.662 -4.709 -1.765 1.00 0.00 N ATOM 0 H GLN A 124 -10.380 -3.917 2.520 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.813 -2.933 1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.130 -5.706 2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.582 -5.316 1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.753 -5.028 0.700 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.793 -6.408 0.412 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.765 -5.194 -1.772 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.014 -4.276 -2.619 1.00 0.00 H new ATOM 2003 N ASP A 125 -12.941 -4.023 4.784 1.00 0.00 N ATOM 2004 CA ASP A 125 -13.670 -3.968 6.060 1.00 0.00 C ATOM 2005 C ASP A 125 -13.553 -2.608 6.775 1.00 0.00 C ATOM 2006 O ASP A 125 -14.244 -2.368 7.764 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.144 -5.104 6.951 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.022 -5.362 8.182 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -15.213 -5.705 7.997 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -13.518 -5.279 9.328 1.00 0.00 O ATOM 0 H ASP A 125 -12.070 -4.551 4.844 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.733 -4.091 5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.078 -6.019 6.362 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.133 -4.862 7.278 1.00 0.00 H new ATOM 2015 N HIS A 126 -12.718 -1.696 6.268 1.00 0.00 N ATOM 2016 CA HIS A 126 -12.673 -0.299 6.718 1.00 0.00 C ATOM 2017 C HIS A 126 -13.722 0.557 6.001 1.00 0.00 C ATOM 2018 O HIS A 126 -14.386 1.365 6.649 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.264 0.280 6.553 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.189 1.749 6.885 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -10.876 2.759 5.974 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.488 2.316 8.091 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -10.995 3.910 6.651 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.371 3.676 7.918 1.00 0.00 N ATOM 0 H HIS A 126 -12.049 -1.907 5.528 1.00 0.00 H new ATOM 0 HA HIS A 126 -12.919 -0.281 7.780 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.574 -0.268 7.195 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -10.932 0.128 5.526 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.762 1.800 8.999 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -10.813 4.890 6.235 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -11.541 4.385 8.631 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.936 0.349 4.697 1.00 0.00 N ATOM 2033 CA PHE A 127 -14.964 1.077 3.946 1.00 0.00 C ATOM 2034 C PHE A 127 -16.350 0.399 3.945 1.00 0.00 C ATOM 2035 O PHE A 127 -17.338 1.079 3.663 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.454 1.454 2.545 1.00 0.00 C ATOM 2037 CG PHE A 127 -13.316 2.469 2.562 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -13.568 3.835 2.822 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -11.993 2.040 2.341 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -12.497 4.750 2.863 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -10.924 2.951 2.394 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.179 4.308 2.656 1.00 0.00 C ATOM 0 H PHE A 127 -13.408 -0.321 4.138 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.145 2.007 4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -14.117 0.551 2.035 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -15.282 1.859 1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -14.579 4.177 2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.798 0.999 2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -12.690 5.795 3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.912 2.610 2.234 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.361 5.012 2.698 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.478 -0.889 4.319 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.762 -1.635 4.262 1.00 0.00 C ATOM 2054 C LYS A 128 -18.893 -1.042 5.116 1.00 0.00 C ATOM 2055 O LYS A 128 -20.063 -1.198 4.768 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.559 -3.146 4.518 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.328 -3.586 5.977 1.00 0.00 C ATOM 2058 CD LYS A 128 -18.634 -3.919 6.709 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.478 -4.149 8.215 1.00 0.00 C ATOM 2060 NZ LYS A 128 -17.883 -5.471 8.536 1.00 0.00 N ATOM 0 H LYS A 128 -15.699 -1.446 4.669 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.112 -1.514 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -18.435 -3.674 4.140 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.706 -3.478 3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -16.676 -4.460 5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -16.808 -2.792 6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -19.342 -3.106 6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.069 -4.812 6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -17.852 -3.362 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.454 -4.069 8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -18.146 -5.744 9.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.238 -6.183 7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -16.847 -5.413 8.462 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.554 -0.379 6.225 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.509 0.223 7.179 1.00 0.00 C ATOM 2076 C TRP A 129 -19.750 1.732 6.955 1.00 0.00 C ATOM 2077 O TRP A 129 -20.456 2.380 7.729 1.00 0.00 O ATOM 2078 CB TRP A 129 -19.077 -0.140 8.609 1.00 0.00 C ATOM 2079 CG TRP A 129 -17.662 0.194 8.970 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.599 -0.631 8.846 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -17.121 1.458 9.464 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.454 0.021 9.243 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -15.708 1.324 9.612 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -17.679 2.722 9.748 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -14.889 2.387 10.022 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -16.863 3.808 10.123 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.473 3.642 10.269 1.00 0.00 C ATOM 0 H TRP A 129 -17.581 -0.238 6.498 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.496 -0.204 7.000 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -19.740 0.370 9.308 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.225 -1.210 8.752 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -16.642 -1.649 8.489 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -14.529 -0.408 9.262 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -18.748 2.860 9.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -13.826 2.243 10.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -17.308 4.776 10.300 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -14.857 4.476 10.570 1.00 0.00 H new ATOM 2098 N VAL A 130 -19.184 2.285 5.879 1.00 0.00 N ATOM 2099 CA VAL A 130 -19.221 3.705 5.470 1.00 0.00 C ATOM 2100 C VAL A 130 -19.444 3.802 3.944 1.00 0.00 C ATOM 2101 O VAL A 130 -19.930 2.855 3.321 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.967 4.468 5.987 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -18.335 5.337 7.193 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.772 3.591 6.358 1.00 0.00 C ATOM 0 H VAL A 130 -18.649 1.719 5.220 1.00 0.00 H new ATOM 0 HA VAL A 130 -20.068 4.208 5.937 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.646 5.072 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -17.449 5.865 7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -19.097 6.060 6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -18.722 4.705 7.992 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.953 4.220 6.706 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -17.060 2.900 7.150 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.450 3.026 5.483 1.00 0.00 H new