USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=27 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 30:sc= 0 USER MOD Set 1.2: A 120 ASN : amide:sc= 0.783 K(o=1.7,f=0.11) USER MOD Set 1.3: A 124 GLN : amide:sc= 0.899 K(o=1.7,f=0.11) USER MOD Set 2.1: A 44 THR OG1 : rot -171:sc= 0.814 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -145:sc= 0.941 (180deg=0) USER MOD Set 3.1: A 59 LYS NZ :NH3+ -162:sc= 2.12 (180deg=0.376) USER MOD Set 3.2: A 71 GLN : amide:sc= 0.82 K(o=2.9,f=-2.6) USER MOD Set 4.1: A 52 LYS NZ :NH3+ -105:sc= 0.0187 (180deg=0) USER MOD Set 4.2: A 57 TYR OH : rot 180:sc= 0.0202 USER MOD Set 5.1: A 51 SER OG : rot 173:sc= 1.66 USER MOD Set 5.2: A 126 HIS : no HE2:sc= 0.825 K(o=2.5,f=-2.8) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0279 USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= 2.53 (180deg=2.17) 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+ 155:sc= 1.22 (180deg=0.78) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 50 THR OG1 : rot -120:sc= -0.0489 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.111 X(o=0.11,f=-0.24) USER MOD Single : A 84 THR OG1 : rot -79:sc= 0.013 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.014 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 25:sc= 0.904 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -77:sc= 1.23 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 171 N GLU A 8 -4.557 8.625 14.478 1.00 0.00 N ATOM 172 CA GLU A 8 -4.894 7.469 13.649 1.00 0.00 C ATOM 173 C GLU A 8 -4.837 6.196 14.512 1.00 0.00 C ATOM 174 O GLU A 8 -3.930 6.005 15.326 1.00 0.00 O ATOM 175 CB GLU A 8 -3.988 7.364 12.407 1.00 0.00 C ATOM 176 CG GLU A 8 -2.477 7.367 12.682 1.00 0.00 C ATOM 177 CD GLU A 8 -1.878 8.783 12.802 1.00 0.00 C ATOM 178 OE1 GLU A 8 -1.651 9.427 11.748 1.00 0.00 O ATOM 179 OE2 GLU A 8 -1.540 9.223 13.928 1.00 0.00 O ATOM 0 HA GLU A 8 -5.908 7.593 13.268 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.240 6.448 11.873 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.219 8.195 11.740 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.282 6.819 13.604 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.968 6.832 11.880 1.00 0.00 H new ATOM 186 N SER A 9 -5.830 5.330 14.344 1.00 0.00 N ATOM 187 CA SER A 9 -5.986 4.065 15.076 1.00 0.00 C ATOM 188 C SER A 9 -5.567 2.864 14.228 1.00 0.00 C ATOM 189 O SER A 9 -5.910 2.807 13.049 1.00 0.00 O ATOM 190 CB SER A 9 -7.439 3.897 15.522 1.00 0.00 C ATOM 191 OG SER A 9 -7.755 4.833 16.542 1.00 0.00 O ATOM 0 H SER A 9 -6.580 5.490 13.671 1.00 0.00 H new ATOM 0 HA SER A 9 -5.333 4.105 15.948 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.106 4.038 14.671 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.599 2.883 15.888 1.00 0.00 H new ATOM 0 HG SER A 9 -8.688 4.715 16.816 1.00 0.00 H new ATOM 197 N VAL A 10 -4.844 1.885 14.782 1.00 0.00 N ATOM 198 CA VAL A 10 -4.355 0.729 14.004 1.00 0.00 C ATOM 199 C VAL A 10 -5.494 -0.181 13.515 1.00 0.00 C ATOM 200 O VAL A 10 -6.410 -0.512 14.271 1.00 0.00 O ATOM 201 CB VAL A 10 -3.238 -0.034 14.746 1.00 0.00 C ATOM 202 CG1 VAL A 10 -3.709 -0.745 16.020 1.00 0.00 C ATOM 203 CG2 VAL A 10 -2.544 -1.055 13.833 1.00 0.00 C ATOM 0 H VAL A 10 -4.581 1.865 15.767 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.898 1.128 13.098 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.531 0.740 15.044 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.866 -1.258 16.483 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.115 -0.012 16.717 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.481 -1.472 15.767 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.764 -1.572 14.392 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.275 -1.780 13.476 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.099 -0.539 12.982 1.00 0.00 H new ATOM 213 N LEU A 11 -5.421 -0.586 12.242 1.00 0.00 N ATOM 214 CA LEU A 11 -6.344 -1.524 11.594 1.00 0.00 C ATOM 215 C LEU A 11 -5.670 -2.865 11.267 1.00 0.00 C ATOM 216 O LEU A 11 -6.259 -3.921 11.506 1.00 0.00 O ATOM 217 CB LEU A 11 -6.895 -0.925 10.286 1.00 0.00 C ATOM 218 CG LEU A 11 -7.662 0.402 10.383 1.00 0.00 C ATOM 219 CD1 LEU A 11 -8.247 0.699 9.001 1.00 0.00 C ATOM 220 CD2 LEU A 11 -8.805 0.368 11.397 1.00 0.00 C ATOM 0 H LEU A 11 -4.690 -0.257 11.611 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.154 -1.701 12.301 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.058 -0.781 9.603 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.555 -1.663 9.830 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.963 1.168 10.719 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.800 1.638 9.034 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.439 0.779 8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.919 -0.108 8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.304 1.337 11.415 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.520 -0.404 11.113 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.407 0.147 12.387 1.00 0.00 H new ATOM 232 N CYS A 12 -4.453 -2.830 10.707 1.00 0.00 N ATOM 233 CA CYS A 12 -3.722 -4.025 10.275 1.00 0.00 C ATOM 234 C CYS A 12 -2.202 -3.868 10.413 1.00 0.00 C ATOM 235 O CYS A 12 -1.637 -2.802 10.171 1.00 0.00 O ATOM 236 CB CYS A 12 -4.139 -4.384 8.839 1.00 0.00 C ATOM 237 SG CYS A 12 -3.553 -6.041 8.374 1.00 0.00 S ATOM 0 H CYS A 12 -3.945 -1.961 10.540 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.988 -4.849 10.937 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.225 -4.343 8.753 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.736 -3.646 8.146 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.926 -6.308 7.158 1.00 0.00 H new ATOM 243 N VAL A 13 -1.542 -4.967 10.768 1.00 0.00 N ATOM 244 CA VAL A 13 -0.090 -5.139 10.819 1.00 0.00 C ATOM 245 C VAL A 13 0.272 -6.455 10.125 1.00 0.00 C ATOM 246 O VAL A 13 -0.340 -7.493 10.388 1.00 0.00 O ATOM 247 CB VAL A 13 0.421 -5.048 12.273 1.00 0.00 C ATOM 248 CG1 VAL A 13 -0.153 -6.106 13.223 1.00 0.00 C ATOM 249 CG2 VAL A 13 1.952 -5.107 12.353 1.00 0.00 C ATOM 0 H VAL A 13 -2.036 -5.815 11.045 1.00 0.00 H new ATOM 0 HA VAL A 13 0.412 -4.333 10.284 1.00 0.00 H new ATOM 0 HB VAL A 13 0.060 -4.075 12.607 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.263 -5.963 14.220 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.238 -6.008 13.265 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.107 -7.100 12.860 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.265 -5.039 13.395 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.302 -6.048 11.929 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.378 -4.275 11.792 1.00 0.00 H new ATOM 259 N LYS A 14 1.255 -6.413 9.221 1.00 0.00 N ATOM 260 CA LYS A 14 1.816 -7.596 8.537 1.00 0.00 C ATOM 261 C LYS A 14 3.335 -7.642 8.768 1.00 0.00 C ATOM 262 O LYS A 14 3.976 -6.591 8.664 1.00 0.00 O ATOM 263 CB LYS A 14 1.452 -7.602 7.040 1.00 0.00 C ATOM 264 CG LYS A 14 -0.058 -7.583 6.715 1.00 0.00 C ATOM 265 CD LYS A 14 -0.726 -8.961 6.685 1.00 0.00 C ATOM 266 CE LYS A 14 -1.178 -9.506 8.043 1.00 0.00 C ATOM 267 NZ LYS A 14 -1.477 -10.959 7.966 1.00 0.00 N ATOM 0 H LYS A 14 1.697 -5.540 8.934 1.00 0.00 H new ATOM 0 HA LYS A 14 1.377 -8.500 8.959 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.917 -6.736 6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.892 -8.488 6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.567 -6.964 7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.201 -7.104 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.593 -8.910 6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.030 -9.673 6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.399 -9.331 8.785 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.064 -8.967 8.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.465 -11.367 8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.417 -11.098 7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.759 -11.430 7.379 1.00 0.00 H new ATOM 281 N PRO A 15 3.910 -8.811 9.114 1.00 0.00 N ATOM 282 CA PRO A 15 5.189 -8.892 9.827 1.00 0.00 C ATOM 283 C PRO A 15 6.399 -8.436 9.006 1.00 0.00 C ATOM 284 O PRO A 15 7.298 -7.800 9.559 1.00 0.00 O ATOM 285 CB PRO A 15 5.315 -10.356 10.272 1.00 0.00 C ATOM 286 CG PRO A 15 4.440 -11.118 9.277 1.00 0.00 C ATOM 287 CD PRO A 15 3.304 -10.133 9.022 1.00 0.00 C ATOM 0 HA PRO A 15 5.189 -8.201 10.670 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.350 -10.697 10.237 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.969 -10.494 11.296 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.981 -11.360 8.362 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.077 -12.059 9.692 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.858 -10.293 8.040 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.508 -10.252 9.757 1.00 0.00 H new ATOM 295 N ASP A 16 6.409 -8.697 7.697 1.00 0.00 N ATOM 296 CA ASP A 16 7.337 -8.062 6.759 1.00 0.00 C ATOM 297 C ASP A 16 6.723 -7.848 5.363 1.00 0.00 C ATOM 298 O ASP A 16 5.793 -8.555 4.961 1.00 0.00 O ATOM 299 CB ASP A 16 8.690 -8.791 6.708 1.00 0.00 C ATOM 300 CG ASP A 16 8.628 -10.171 6.039 1.00 0.00 C ATOM 301 OD1 ASP A 16 8.352 -11.176 6.735 1.00 0.00 O ATOM 302 OD2 ASP A 16 8.918 -10.252 4.822 1.00 0.00 O ATOM 0 H ASP A 16 5.770 -9.358 7.256 1.00 0.00 H new ATOM 0 HA ASP A 16 7.535 -7.063 7.148 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.406 -8.170 6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.068 -8.907 7.724 1.00 0.00 H new ATOM 307 N VAL A 17 7.213 -6.832 4.644 1.00 0.00 N ATOM 308 CA VAL A 17 6.667 -6.353 3.363 1.00 0.00 C ATOM 309 C VAL A 17 7.771 -5.678 2.545 1.00 0.00 C ATOM 310 O VAL A 17 8.673 -5.056 3.118 1.00 0.00 O ATOM 311 CB VAL A 17 5.471 -5.401 3.604 1.00 0.00 C ATOM 312 CG1 VAL A 17 5.858 -4.057 4.234 1.00 0.00 C ATOM 313 CG2 VAL A 17 4.689 -5.128 2.316 1.00 0.00 C ATOM 0 H VAL A 17 8.029 -6.300 4.946 1.00 0.00 H new ATOM 0 HA VAL A 17 6.296 -7.203 2.791 1.00 0.00 H new ATOM 0 HB VAL A 17 4.844 -5.936 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.964 -3.448 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.329 -4.231 5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.556 -3.536 3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.858 -4.456 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.349 -4.667 1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.303 -6.067 1.919 1.00 0.00 H new ATOM 323 N SER A 18 7.696 -5.784 1.218 1.00 0.00 N ATOM 324 CA SER A 18 8.684 -5.228 0.286 1.00 0.00 C ATOM 325 C SER A 18 8.056 -4.208 -0.669 1.00 0.00 C ATOM 326 O SER A 18 6.933 -4.382 -1.144 1.00 0.00 O ATOM 327 CB SER A 18 9.373 -6.351 -0.497 1.00 0.00 C ATOM 328 OG SER A 18 9.914 -7.331 0.377 1.00 0.00 O ATOM 0 H SER A 18 6.931 -6.269 0.749 1.00 0.00 H new ATOM 0 HA SER A 18 9.433 -4.701 0.876 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.657 -6.819 -1.173 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.168 -5.932 -1.114 1.00 0.00 H new ATOM 0 HG SER A 18 10.346 -8.036 -0.149 1.00 0.00 H new ATOM 334 N VAL A 19 8.788 -3.134 -0.960 1.00 0.00 N ATOM 335 CA VAL A 19 8.350 -1.997 -1.782 1.00 0.00 C ATOM 336 C VAL A 19 9.199 -1.866 -3.041 1.00 0.00 C ATOM 337 O VAL A 19 10.416 -2.060 -3.023 1.00 0.00 O ATOM 338 CB VAL A 19 8.328 -0.700 -0.956 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.281 0.566 -1.820 1.00 0.00 C ATOM 340 CG2 VAL A 19 7.106 -0.733 -0.028 1.00 0.00 C ATOM 0 H VAL A 19 9.742 -3.023 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 19 7.328 -2.186 -2.111 1.00 0.00 H new ATOM 0 HB VAL A 19 9.258 -0.655 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.267 1.446 -1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.160 0.601 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.382 0.553 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.075 0.181 0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.197 -0.808 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.176 -1.595 0.636 1.00 0.00 H new ATOM 350 N TYR A 20 8.525 -1.496 -4.128 1.00 0.00 N ATOM 351 CA TYR A 20 9.037 -1.456 -5.489 1.00 0.00 C ATOM 352 C TYR A 20 8.609 -0.140 -6.160 1.00 0.00 C ATOM 353 O TYR A 20 7.519 -0.054 -6.715 1.00 0.00 O ATOM 354 CB TYR A 20 8.476 -2.683 -6.235 1.00 0.00 C ATOM 355 CG TYR A 20 8.777 -4.023 -5.586 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.906 -4.569 -4.621 1.00 0.00 C ATOM 357 CD2 TYR A 20 9.932 -4.728 -5.955 1.00 0.00 C ATOM 358 CE1 TYR A 20 8.198 -5.814 -4.027 1.00 0.00 C ATOM 359 CE2 TYR A 20 10.194 -5.998 -5.406 1.00 0.00 C ATOM 360 CZ TYR A 20 9.334 -6.541 -4.433 1.00 0.00 C ATOM 361 OH TYR A 20 9.619 -7.757 -3.889 1.00 0.00 O ATOM 0 H TYR A 20 7.550 -1.200 -4.075 1.00 0.00 H new ATOM 0 HA TYR A 20 10.126 -1.491 -5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.395 -2.573 -6.322 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.878 -2.689 -7.248 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.013 -4.032 -4.336 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.623 -4.295 -6.663 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.550 -6.211 -3.260 1.00 0.00 H new ATOM 0 HE2 TYR A 20 11.058 -6.557 -5.733 1.00 0.00 H new ATOM 0 HH TYR A 20 10.440 -8.111 -4.291 1.00 0.00 H new ATOM 371 N ARG A 21 9.432 0.911 -6.104 1.00 0.00 N ATOM 372 CA ARG A 21 9.250 2.168 -6.865 1.00 0.00 C ATOM 373 C ARG A 21 9.031 1.889 -8.363 1.00 0.00 C ATOM 374 O ARG A 21 9.783 1.109 -8.959 1.00 0.00 O ATOM 375 CB ARG A 21 10.472 3.091 -6.687 1.00 0.00 C ATOM 376 CG ARG A 21 10.709 3.541 -5.235 1.00 0.00 C ATOM 377 CD ARG A 21 11.907 4.495 -5.117 1.00 0.00 C ATOM 378 NE ARG A 21 13.179 3.827 -5.450 1.00 0.00 N ATOM 379 CZ ARG A 21 14.397 4.326 -5.399 1.00 0.00 C ATOM 380 NH1 ARG A 21 15.395 3.543 -5.682 1.00 0.00 N ATOM 381 NH2 ARG A 21 14.643 5.564 -5.075 1.00 0.00 N ATOM 0 H ARG A 21 10.266 0.920 -5.517 1.00 0.00 H new ATOM 0 HA ARG A 21 8.363 2.663 -6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.361 2.573 -7.046 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.343 3.973 -7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.814 4.035 -4.858 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.879 2.666 -4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.760 5.346 -5.782 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.959 4.888 -4.102 1.00 0.00 H new ATOM 0 HE ARG A 21 13.107 2.857 -5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.224 2.570 -5.935 1.00 0.00 H new ATOM 0 HH12 ARG A 21 16.349 3.902 -5.651 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.874 6.194 -4.847 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.605 5.903 -5.050 1.00 0.00 H new ATOM 395 N ILE A 22 8.022 2.535 -8.956 1.00 0.00 N ATOM 396 CA ILE A 22 7.541 2.265 -10.332 1.00 0.00 C ATOM 397 C ILE A 22 7.664 3.475 -11.285 1.00 0.00 C ATOM 398 O ILE A 22 7.401 4.606 -10.863 1.00 0.00 O ATOM 399 CB ILE A 22 6.089 1.725 -10.328 1.00 0.00 C ATOM 400 CG1 ILE A 22 5.050 2.784 -9.888 1.00 0.00 C ATOM 401 CG2 ILE A 22 6.012 0.470 -9.458 1.00 0.00 C ATOM 402 CD1 ILE A 22 3.648 2.230 -9.616 1.00 0.00 C ATOM 0 H ILE A 22 7.500 3.277 -8.490 1.00 0.00 H new ATOM 0 HA ILE A 22 8.206 1.496 -10.724 1.00 0.00 H new ATOM 0 HB ILE A 22 5.829 1.469 -11.355 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.413 3.276 -8.986 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.980 3.548 -10.662 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.990 0.091 -9.456 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.681 -0.292 -9.858 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.310 0.715 -8.439 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.988 3.043 -9.314 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.259 1.764 -10.521 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.698 1.488 -8.819 1.00 0.00 H new ATOM 414 N PRO A 23 8.005 3.264 -12.576 1.00 0.00 N ATOM 415 CA PRO A 23 7.961 4.317 -13.594 1.00 0.00 C ATOM 416 C PRO A 23 6.563 4.730 -14.127 1.00 0.00 C ATOM 417 O PRO A 23 6.355 5.939 -14.283 1.00 0.00 O ATOM 418 CB PRO A 23 8.923 3.880 -14.706 1.00 0.00 C ATOM 419 CG PRO A 23 9.176 2.387 -14.493 1.00 0.00 C ATOM 420 CD PRO A 23 8.729 2.095 -13.061 1.00 0.00 C ATOM 0 HA PRO A 23 8.269 5.250 -13.121 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.490 4.065 -15.689 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.855 4.443 -14.657 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.613 1.788 -15.209 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.229 2.144 -14.632 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.092 1.211 -13.032 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.590 1.888 -12.426 1.00 0.00 H new ATOM 428 N PRO A 24 5.599 3.829 -14.431 1.00 0.00 N ATOM 429 CA PRO A 24 4.327 4.201 -15.065 1.00 0.00 C ATOM 430 C PRO A 24 3.269 4.745 -14.087 1.00 0.00 C ATOM 431 O PRO A 24 3.377 4.604 -12.866 1.00 0.00 O ATOM 432 CB PRO A 24 3.839 2.931 -15.770 1.00 0.00 C ATOM 433 CG PRO A 24 4.353 1.829 -14.853 1.00 0.00 C ATOM 434 CD PRO A 24 5.708 2.376 -14.413 1.00 0.00 C ATOM 0 HA PRO A 24 4.486 5.030 -15.755 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.753 2.909 -15.862 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.246 2.844 -16.777 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.688 1.662 -14.006 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.449 0.877 -15.376 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.964 2.019 -13.415 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.498 2.039 -15.084 1.00 0.00 H new ATOM 525 N GLY A 30 -4.154 -1.052 -16.061 1.00 0.00 N ATOM 526 CA GLY A 30 -3.787 -0.486 -14.762 1.00 0.00 C ATOM 527 C GLY A 30 -2.300 -0.140 -14.692 1.00 0.00 C ATOM 528 O GLY A 30 -1.839 0.776 -15.375 1.00 0.00 O ATOM 0 HA2 GLY A 30 -4.378 0.411 -14.577 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.032 -1.198 -13.973 1.00 0.00 H new ATOM 532 N TYR A 31 -1.547 -0.883 -13.881 1.00 0.00 N ATOM 533 CA TYR A 31 -0.103 -0.693 -13.668 1.00 0.00 C ATOM 534 C TYR A 31 0.766 -1.870 -14.105 1.00 0.00 C ATOM 535 O TYR A 31 1.909 -1.630 -14.483 1.00 0.00 O ATOM 536 CB TYR A 31 0.168 -0.442 -12.185 1.00 0.00 C ATOM 537 CG TYR A 31 -0.185 0.949 -11.730 1.00 0.00 C ATOM 538 CD1 TYR A 31 -1.468 1.210 -11.220 1.00 0.00 C ATOM 539 CD2 TYR A 31 0.787 1.962 -11.800 1.00 0.00 C ATOM 540 CE1 TYR A 31 -1.778 2.498 -10.743 1.00 0.00 C ATOM 541 CE2 TYR A 31 0.483 3.247 -11.314 1.00 0.00 C ATOM 542 CZ TYR A 31 -0.798 3.518 -10.779 1.00 0.00 C ATOM 543 OH TYR A 31 -1.080 4.759 -10.295 1.00 0.00 O ATOM 0 H TYR A 31 -1.930 -1.656 -13.337 1.00 0.00 H new ATOM 0 HA TYR A 31 0.168 0.158 -14.292 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.399 -1.162 -11.595 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.223 -0.624 -11.982 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.212 0.427 -11.194 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.759 1.756 -12.223 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.762 2.707 -10.350 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.229 4.027 -11.350 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.294 5.336 -10.397 1.00 0.00 H new ATOM 553 N ARG A 32 0.243 -3.103 -14.017 1.00 0.00 N ATOM 554 CA ARG A 32 0.903 -4.404 -14.199 1.00 0.00 C ATOM 555 C ARG A 32 2.285 -4.524 -13.534 1.00 0.00 C ATOM 556 O ARG A 32 3.274 -4.031 -14.062 1.00 0.00 O ATOM 557 CB ARG A 32 0.909 -4.846 -15.685 1.00 0.00 C ATOM 558 CG ARG A 32 0.002 -4.136 -16.715 1.00 0.00 C ATOM 559 CD ARG A 32 0.654 -2.955 -17.455 1.00 0.00 C ATOM 560 NE ARG A 32 1.635 -3.363 -18.480 1.00 0.00 N ATOM 561 CZ ARG A 32 1.420 -3.827 -19.697 1.00 0.00 C ATOM 562 NH1 ARG A 32 2.436 -4.006 -20.484 1.00 0.00 N ATOM 563 NH2 ARG A 32 0.231 -4.103 -20.154 1.00 0.00 N ATOM 0 H ARG A 32 -0.745 -3.225 -13.796 1.00 0.00 H new ATOM 0 HA ARG A 32 0.285 -5.115 -13.651 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.935 -4.757 -16.043 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.654 -5.906 -15.707 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.327 -4.869 -17.452 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.890 -3.776 -16.203 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.126 -2.360 -17.929 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.149 -2.311 -16.728 1.00 0.00 H new ATOM 0 HE ARG A 32 2.615 -3.274 -18.210 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.378 -3.789 -20.158 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.293 -4.364 -21.428 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.588 -3.962 -19.563 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.120 -4.460 -21.103 1.00 0.00 H new ATOM 577 N ALA A 33 2.386 -5.260 -12.419 1.00 0.00 N ATOM 578 CA ALA A 33 3.673 -5.530 -11.748 1.00 0.00 C ATOM 579 C ALA A 33 4.731 -6.091 -12.714 1.00 0.00 C ATOM 580 O ALA A 33 5.905 -5.730 -12.657 1.00 0.00 O ATOM 581 CB ALA A 33 3.448 -6.510 -10.591 1.00 0.00 C ATOM 0 H ALA A 33 1.583 -5.685 -11.955 1.00 0.00 H new ATOM 0 HA ALA A 33 4.055 -4.582 -11.370 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.397 -6.711 -10.094 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.749 -6.075 -9.876 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.037 -7.442 -10.979 1.00 0.00 H new ATOM 587 N SER A 34 4.269 -6.920 -13.653 1.00 0.00 N ATOM 588 CA SER A 34 5.014 -7.511 -14.765 1.00 0.00 C ATOM 589 C SER A 34 5.722 -6.500 -15.681 1.00 0.00 C ATOM 590 O SER A 34 6.690 -6.857 -16.356 1.00 0.00 O ATOM 591 CB SER A 34 4.004 -8.316 -15.586 1.00 0.00 C ATOM 592 OG SER A 34 2.945 -7.486 -16.034 1.00 0.00 O ATOM 0 H SER A 34 3.293 -7.217 -13.655 1.00 0.00 H new ATOM 0 HA SER A 34 5.816 -8.117 -14.344 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.503 -8.770 -16.442 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.604 -9.130 -14.982 1.00 0.00 H new ATOM 0 HG SER A 34 2.311 -8.019 -16.558 1.00 0.00 H new ATOM 598 N ASP A 35 5.274 -5.242 -15.702 1.00 0.00 N ATOM 599 CA ASP A 35 5.860 -4.155 -16.487 1.00 0.00 C ATOM 600 C ASP A 35 7.062 -3.484 -15.790 1.00 0.00 C ATOM 601 O ASP A 35 7.881 -2.841 -16.453 1.00 0.00 O ATOM 602 CB ASP A 35 4.761 -3.119 -16.767 1.00 0.00 C ATOM 603 CG ASP A 35 5.004 -2.357 -18.074 1.00 0.00 C ATOM 604 OD1 ASP A 35 4.579 -2.887 -19.129 1.00 0.00 O ATOM 605 OD2 ASP A 35 5.544 -1.228 -18.051 1.00 0.00 O ATOM 0 H ASP A 35 4.467 -4.943 -15.155 1.00 0.00 H new ATOM 0 HA ASP A 35 6.248 -4.577 -17.414 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.795 -3.621 -16.815 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.712 -2.411 -15.939 1.00 0.00 H new ATOM 610 N TRP A 36 7.180 -3.633 -14.462 1.00 0.00 N ATOM 611 CA TRP A 36 8.208 -3.011 -13.619 1.00 0.00 C ATOM 612 C TRP A 36 8.912 -4.045 -12.711 1.00 0.00 C ATOM 613 O TRP A 36 9.040 -5.219 -13.063 1.00 0.00 O ATOM 614 CB TRP A 36 7.638 -1.768 -12.906 1.00 0.00 C ATOM 615 CG TRP A 36 6.214 -1.794 -12.462 1.00 0.00 C ATOM 616 CD1 TRP A 36 5.212 -1.265 -13.189 1.00 0.00 C ATOM 617 CD2 TRP A 36 5.598 -2.301 -11.236 1.00 0.00 C ATOM 618 NE1 TRP A 36 4.022 -1.402 -12.519 1.00 0.00 N ATOM 619 CE2 TRP A 36 4.203 -1.986 -11.287 1.00 0.00 C ATOM 620 CE3 TRP A 36 6.062 -2.963 -10.075 1.00 0.00 C ATOM 621 CZ2 TRP A 36 3.328 -2.277 -10.233 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.183 -3.269 -9.014 1.00 0.00 C ATOM 623 CH2 TRP A 36 3.822 -2.922 -9.086 1.00 0.00 C ATOM 0 H TRP A 36 6.535 -4.214 -13.926 1.00 0.00 H new ATOM 0 HA TRP A 36 9.017 -2.634 -14.245 1.00 0.00 H new ATOM 0 HB2 TRP A 36 8.256 -1.577 -12.029 1.00 0.00 H new ATOM 0 HB3 TRP A 36 7.761 -0.916 -13.575 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.328 -0.801 -14.157 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.118 -1.108 -12.888 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.104 -3.238 -10.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.284 -2.009 -10.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.560 -3.775 -8.137 1.00 0.00 H new ATOM 0 HH2 TRP A 36 3.160 -3.150 -8.264 1.00 0.00 H new ATOM 634 N LYS A 37 9.469 -3.600 -11.579 1.00 0.00 N ATOM 635 CA LYS A 37 10.511 -4.293 -10.807 1.00 0.00 C ATOM 636 C LYS A 37 10.022 -5.374 -9.846 1.00 0.00 C ATOM 637 O LYS A 37 10.537 -5.478 -8.740 1.00 0.00 O ATOM 638 CB LYS A 37 11.358 -3.255 -10.058 1.00 0.00 C ATOM 639 CG LYS A 37 11.991 -2.175 -10.942 1.00 0.00 C ATOM 640 CD LYS A 37 13.355 -1.777 -10.368 1.00 0.00 C ATOM 641 CE LYS A 37 13.351 -1.400 -8.877 1.00 0.00 C ATOM 642 NZ LYS A 37 12.583 -0.160 -8.584 1.00 0.00 N ATOM 0 H LYS A 37 9.197 -2.712 -11.157 1.00 0.00 H new ATOM 0 HA LYS A 37 11.103 -4.838 -11.542 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.732 -2.769 -9.309 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.152 -3.775 -9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 37 12.108 -2.546 -11.960 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.338 -1.304 -10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.049 -2.604 -10.516 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.740 -0.932 -10.939 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.929 -2.224 -8.302 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.379 -1.270 -8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.257 -0.179 -7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.193 0.669 -8.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.762 -0.102 -9.219 1.00 0.00 H new ATOM 656 N LEU A 38 9.073 -6.207 -10.250 1.00 0.00 N ATOM 657 CA LEU A 38 8.375 -7.160 -9.364 1.00 0.00 C ATOM 658 C LEU A 38 9.248 -8.226 -8.640 1.00 0.00 C ATOM 659 O LEU A 38 8.720 -9.012 -7.853 1.00 0.00 O ATOM 660 CB LEU A 38 7.168 -7.778 -10.095 1.00 0.00 C ATOM 661 CG LEU A 38 7.467 -8.905 -11.101 1.00 0.00 C ATOM 662 CD1 LEU A 38 6.151 -9.537 -11.564 1.00 0.00 C ATOM 663 CD2 LEU A 38 8.222 -8.445 -12.346 1.00 0.00 C ATOM 0 H LEU A 38 8.753 -6.249 -11.218 1.00 0.00 H new ATOM 0 HA LEU A 38 8.031 -6.554 -8.526 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.479 -8.166 -9.345 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.647 -6.980 -10.624 1.00 0.00 H new ATOM 0 HG LEU A 38 8.105 -9.613 -10.571 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.361 -10.335 -12.276 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.622 -9.948 -10.704 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.531 -8.778 -12.042 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.393 -9.297 -13.003 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.633 -7.694 -12.872 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.180 -8.015 -12.053 1.00 0.00 H new ATOM 675 N ASP A 39 10.567 -8.254 -8.880 1.00 0.00 N ATOM 676 CA ASP A 39 11.562 -9.098 -8.193 1.00 0.00 C ATOM 677 C ASP A 39 12.798 -8.319 -7.651 1.00 0.00 C ATOM 678 O ASP A 39 13.757 -8.935 -7.184 1.00 0.00 O ATOM 679 CB ASP A 39 11.954 -10.238 -9.151 1.00 0.00 C ATOM 680 CG ASP A 39 12.740 -11.375 -8.471 1.00 0.00 C ATOM 681 OD1 ASP A 39 12.248 -11.940 -7.463 1.00 0.00 O ATOM 682 OD2 ASP A 39 13.826 -11.749 -8.978 1.00 0.00 O ATOM 0 H ASP A 39 10.992 -7.661 -9.593 1.00 0.00 H new ATOM 0 HA ASP A 39 11.107 -9.503 -7.289 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.050 -10.651 -9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.555 -9.828 -9.963 1.00 0.00 H new ATOM 687 N GLN A 40 12.805 -6.975 -7.694 1.00 0.00 N ATOM 688 CA GLN A 40 13.923 -6.116 -7.246 1.00 0.00 C ATOM 689 C GLN A 40 13.445 -4.998 -6.287 1.00 0.00 C ATOM 690 O GLN A 40 13.122 -3.897 -6.745 1.00 0.00 O ATOM 691 CB GLN A 40 14.647 -5.488 -8.455 1.00 0.00 C ATOM 692 CG GLN A 40 15.209 -6.482 -9.478 1.00 0.00 C ATOM 693 CD GLN A 40 15.937 -5.784 -10.632 1.00 0.00 C ATOM 694 OE1 GLN A 40 16.250 -4.600 -10.614 1.00 0.00 O ATOM 695 NE2 GLN A 40 16.236 -6.492 -11.699 1.00 0.00 N ATOM 0 H GLN A 40 12.014 -6.439 -8.050 1.00 0.00 H new ATOM 0 HA GLN A 40 14.617 -6.756 -6.701 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.952 -4.821 -8.966 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.467 -4.872 -8.085 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.897 -7.164 -8.978 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.395 -7.087 -9.878 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.987 -7.480 -11.741 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.717 -6.053 -12.484 1.00 0.00 H new ATOM 704 N PRO A 41 13.374 -5.241 -4.962 1.00 0.00 N ATOM 705 CA PRO A 41 12.852 -4.260 -4.010 1.00 0.00 C ATOM 706 C PRO A 41 13.803 -3.075 -3.791 1.00 0.00 C ATOM 707 O PRO A 41 15.028 -3.215 -3.814 1.00 0.00 O ATOM 708 CB PRO A 41 12.581 -5.040 -2.723 1.00 0.00 C ATOM 709 CG PRO A 41 13.603 -6.174 -2.780 1.00 0.00 C ATOM 710 CD PRO A 41 13.704 -6.483 -4.276 1.00 0.00 C ATOM 0 HA PRO A 41 11.942 -3.795 -4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.719 -4.418 -1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.560 -5.420 -2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.565 -5.870 -2.366 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.272 -7.043 -2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.707 -6.820 -4.539 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.016 -7.280 -4.558 1.00 0.00 H new ATOM 718 N ASP A 42 13.225 -1.903 -3.530 1.00 0.00 N ATOM 719 CA ASP A 42 13.937 -0.669 -3.173 1.00 0.00 C ATOM 720 C ASP A 42 14.046 -0.490 -1.654 1.00 0.00 C ATOM 721 O ASP A 42 15.017 0.080 -1.152 1.00 0.00 O ATOM 722 CB ASP A 42 13.197 0.540 -3.762 1.00 0.00 C ATOM 723 CG ASP A 42 13.136 0.533 -5.288 1.00 0.00 C ATOM 724 OD1 ASP A 42 12.132 0.050 -5.852 1.00 0.00 O ATOM 725 OD2 ASP A 42 14.029 1.123 -5.938 1.00 0.00 O ATOM 0 H ASP A 42 12.213 -1.779 -3.561 1.00 0.00 H new ATOM 0 HA ASP A 42 14.945 -0.741 -3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.182 0.563 -3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.689 1.454 -3.430 1.00 0.00 H new ATOM 730 N TRP A 43 13.044 -0.990 -0.929 1.00 0.00 N ATOM 731 CA TRP A 43 12.947 -0.960 0.525 1.00 0.00 C ATOM 732 C TRP A 43 12.168 -2.181 1.019 1.00 0.00 C ATOM 733 O TRP A 43 11.227 -2.620 0.356 1.00 0.00 O ATOM 734 CB TRP A 43 12.238 0.336 0.952 1.00 0.00 C ATOM 735 CG TRP A 43 11.927 0.466 2.412 1.00 0.00 C ATOM 736 CD1 TRP A 43 12.698 1.102 3.323 1.00 0.00 C ATOM 737 CD2 TRP A 43 10.754 -0.014 3.147 1.00 0.00 C ATOM 738 NE1 TRP A 43 12.094 1.046 4.564 1.00 0.00 N ATOM 739 CE2 TRP A 43 10.878 0.398 4.506 1.00 0.00 C ATOM 740 CE3 TRP A 43 9.594 -0.744 2.804 1.00 0.00 C ATOM 741 CZ2 TRP A 43 9.881 0.143 5.459 1.00 0.00 C ATOM 742 CZ3 TRP A 43 8.603 -1.038 3.761 1.00 0.00 C ATOM 743 CH2 TRP A 43 8.736 -0.580 5.083 1.00 0.00 C ATOM 0 H TRP A 43 12.242 -1.447 -1.363 1.00 0.00 H new ATOM 0 HA TRP A 43 13.945 -0.987 0.963 1.00 0.00 H new ATOM 0 HB2 TRP A 43 12.860 1.181 0.657 1.00 0.00 H new ATOM 0 HB3 TRP A 43 11.305 0.417 0.394 1.00 0.00 H new ATOM 0 HD1 TRP A 43 13.643 1.581 3.112 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.497 1.435 5.416 1.00 0.00 H new ATOM 0 HE3 TRP A 43 9.464 -1.084 1.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.992 0.499 6.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.737 -1.618 3.478 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.961 -0.783 5.807 1.00 0.00 H new ATOM 754 N THR A 44 12.510 -2.707 2.196 1.00 0.00 N ATOM 755 CA THR A 44 11.664 -3.650 2.928 1.00 0.00 C ATOM 756 C THR A 44 11.620 -3.312 4.414 1.00 0.00 C ATOM 757 O THR A 44 12.550 -2.726 4.979 1.00 0.00 O ATOM 758 CB THR A 44 12.065 -5.118 2.704 1.00 0.00 C ATOM 759 OG1 THR A 44 13.094 -5.538 3.576 1.00 0.00 O ATOM 760 CG2 THR A 44 12.495 -5.475 1.285 1.00 0.00 C ATOM 0 H THR A 44 13.386 -2.490 2.671 1.00 0.00 H new ATOM 0 HA THR A 44 10.659 -3.541 2.520 1.00 0.00 H new ATOM 0 HB THR A 44 11.133 -5.644 2.912 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.412 -6.424 3.304 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.756 -6.532 1.239 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.676 -5.273 0.595 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.361 -4.875 1.006 1.00 0.00 H new ATOM 768 N GLY A 45 10.520 -3.692 5.050 1.00 0.00 N ATOM 769 CA GLY A 45 10.214 -3.366 6.436 1.00 0.00 C ATOM 770 C GLY A 45 8.966 -4.110 6.881 1.00 0.00 C ATOM 771 O GLY A 45 8.836 -5.299 6.604 1.00 0.00 O ATOM 0 H GLY A 45 9.795 -4.252 4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.055 -3.634 7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.064 -2.292 6.541 1.00 0.00 H new ATOM 775 N ARG A 46 8.061 -3.402 7.550 1.00 0.00 N ATOM 776 CA ARG A 46 6.819 -3.880 8.175 1.00 0.00 C ATOM 777 C ARG A 46 5.633 -3.014 7.721 1.00 0.00 C ATOM 778 O ARG A 46 5.777 -1.801 7.561 1.00 0.00 O ATOM 779 CB ARG A 46 7.020 -3.835 9.704 1.00 0.00 C ATOM 780 CG ARG A 46 5.809 -4.332 10.509 1.00 0.00 C ATOM 781 CD ARG A 46 6.090 -4.369 12.015 1.00 0.00 C ATOM 782 NE ARG A 46 6.251 -3.019 12.596 1.00 0.00 N ATOM 783 CZ ARG A 46 7.011 -2.681 13.620 1.00 0.00 C ATOM 784 NH1 ARG A 46 6.964 -1.461 14.059 1.00 0.00 N ATOM 785 NH2 ARG A 46 7.803 -3.519 14.228 1.00 0.00 N ATOM 0 H ARG A 46 8.181 -2.398 7.683 1.00 0.00 H new ATOM 0 HA ARG A 46 6.592 -4.903 7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.889 -4.440 9.964 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.245 -2.810 10.001 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.955 -3.682 10.316 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.533 -5.330 10.168 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.273 -4.883 12.521 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.994 -4.950 12.198 1.00 0.00 H new ATOM 0 HE ARG A 46 5.717 -2.268 12.158 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.347 -0.782 13.613 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.544 -1.181 14.850 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.856 -4.489 13.916 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.370 -3.205 15.016 1.00 0.00 H new ATOM 799 N LEU A 47 4.455 -3.614 7.538 1.00 0.00 N ATOM 800 CA LEU A 47 3.217 -2.886 7.216 1.00 0.00 C ATOM 801 C LEU A 47 2.510 -2.421 8.498 1.00 0.00 C ATOM 802 O LEU A 47 2.382 -3.205 9.439 1.00 0.00 O ATOM 803 CB LEU A 47 2.290 -3.809 6.412 1.00 0.00 C ATOM 804 CG LEU A 47 0.993 -3.138 5.917 1.00 0.00 C ATOM 805 CD1 LEU A 47 1.229 -2.307 4.657 1.00 0.00 C ATOM 806 CD2 LEU A 47 -0.061 -4.205 5.646 1.00 0.00 C ATOM 0 H LEU A 47 4.328 -4.624 7.608 1.00 0.00 H new ATOM 0 HA LEU A 47 3.465 -2.003 6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.837 -4.192 5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.027 -4.667 7.030 1.00 0.00 H new ATOM 0 HG LEU A 47 0.645 -2.461 6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.291 -1.851 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.959 -1.526 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.606 -2.951 3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.978 -3.730 5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.305 -4.893 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.265 -4.756 6.564 1.00 0.00 H new ATOM 818 N ARG A 48 1.963 -1.200 8.502 1.00 0.00 N ATOM 819 CA ARG A 48 1.085 -0.689 9.567 1.00 0.00 C ATOM 820 C ARG A 48 -0.045 0.166 8.973 1.00 0.00 C ATOM 821 O ARG A 48 0.094 1.369 8.767 1.00 0.00 O ATOM 822 CB ARG A 48 1.967 0.082 10.579 1.00 0.00 C ATOM 823 CG ARG A 48 1.466 -0.011 12.025 1.00 0.00 C ATOM 824 CD ARG A 48 1.767 -1.400 12.608 1.00 0.00 C ATOM 825 NE ARG A 48 1.497 -1.463 14.056 1.00 0.00 N ATOM 826 CZ ARG A 48 2.308 -1.088 15.032 1.00 0.00 C ATOM 827 NH1 ARG A 48 1.937 -1.221 16.273 1.00 0.00 N ATOM 828 NH2 ARG A 48 3.488 -0.581 14.817 1.00 0.00 N ATOM 0 H ARG A 48 2.119 -0.526 7.753 1.00 0.00 H new ATOM 0 HA ARG A 48 0.588 -1.504 10.093 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.985 -0.305 10.530 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.011 1.131 10.285 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.945 0.757 12.633 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.393 0.179 12.058 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.163 -2.147 12.094 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.811 -1.652 12.423 1.00 0.00 H new ATOM 0 HE ARG A 48 0.589 -1.835 14.335 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.022 -1.614 16.492 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.562 -0.932 17.026 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.824 -0.458 13.862 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.076 -0.307 15.604 1.00 0.00 H new ATOM 842 N ILE A 49 -1.177 -0.459 8.665 1.00 0.00 N ATOM 843 CA ILE A 49 -2.388 0.240 8.208 1.00 0.00 C ATOM 844 C ILE A 49 -3.110 0.811 9.430 1.00 0.00 C ATOM 845 O ILE A 49 -3.374 0.095 10.399 1.00 0.00 O ATOM 846 CB ILE A 49 -3.295 -0.687 7.373 1.00 0.00 C ATOM 847 CG1 ILE A 49 -2.541 -1.171 6.115 1.00 0.00 C ATOM 848 CG2 ILE A 49 -4.600 0.012 6.958 1.00 0.00 C ATOM 849 CD1 ILE A 49 -3.355 -2.103 5.212 1.00 0.00 C ATOM 0 H ILE A 49 -1.288 -1.471 8.724 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.112 1.060 7.545 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.557 -1.541 7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.231 -0.302 5.535 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.633 -1.687 6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.210 -0.675 6.372 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.150 0.315 7.849 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.367 0.892 6.359 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.752 -2.395 4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.643 -2.992 5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.250 -1.585 4.867 1.00 0.00 H new ATOM 861 N THR A 50 -3.451 2.095 9.371 1.00 0.00 N ATOM 862 CA THR A 50 -4.141 2.841 10.436 1.00 0.00 C ATOM 863 C THR A 50 -5.340 3.619 9.870 1.00 0.00 C ATOM 864 O THR A 50 -5.526 3.657 8.656 1.00 0.00 O ATOM 865 CB THR A 50 -3.163 3.780 11.167 1.00 0.00 C ATOM 866 OG1 THR A 50 -2.672 4.757 10.284 1.00 0.00 O ATOM 867 CG2 THR A 50 -1.929 3.091 11.753 1.00 0.00 C ATOM 0 H THR A 50 -3.250 2.672 8.554 1.00 0.00 H new ATOM 0 HA THR A 50 -4.522 2.124 11.163 1.00 0.00 H new ATOM 0 HB THR A 50 -3.754 4.194 11.984 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.696 4.685 10.226 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.300 3.831 12.248 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.242 2.338 12.477 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.365 2.612 10.952 1.00 0.00 H new ATOM 875 N SER A 51 -6.187 4.222 10.708 1.00 0.00 N ATOM 876 CA SER A 51 -7.297 5.089 10.296 1.00 0.00 C ATOM 877 C SER A 51 -7.742 6.055 11.392 1.00 0.00 C ATOM 878 O SER A 51 -7.936 5.680 12.546 1.00 0.00 O ATOM 879 CB SER A 51 -8.512 4.268 9.871 1.00 0.00 C ATOM 880 OG SER A 51 -9.579 5.144 9.538 1.00 0.00 O ATOM 0 H SER A 51 -6.119 4.119 11.720 1.00 0.00 H new ATOM 0 HA SER A 51 -6.911 5.667 9.456 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.260 3.642 9.015 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.814 3.600 10.678 1.00 0.00 H new ATOM 0 HG SER A 51 -10.318 4.628 9.154 1.00 0.00 H new ATOM 886 N LYS A 52 -7.983 7.301 10.991 1.00 0.00 N ATOM 887 CA LYS A 52 -8.610 8.379 11.771 1.00 0.00 C ATOM 888 C LYS A 52 -10.148 8.458 11.558 1.00 0.00 C ATOM 889 O LYS A 52 -10.782 9.486 11.793 1.00 0.00 O ATOM 890 CB LYS A 52 -7.817 9.641 11.409 1.00 0.00 C ATOM 891 CG LYS A 52 -8.033 10.858 12.307 1.00 0.00 C ATOM 892 CD LYS A 52 -7.571 12.146 11.618 1.00 0.00 C ATOM 893 CE LYS A 52 -6.130 12.139 11.091 1.00 0.00 C ATOM 894 NZ LYS A 52 -5.834 13.339 10.272 1.00 0.00 N ATOM 0 H LYS A 52 -7.731 7.610 10.052 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.555 8.211 12.847 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.756 9.393 11.419 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.069 9.922 10.386 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.089 10.940 12.565 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.486 10.726 13.240 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.242 12.351 10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.677 12.971 12.322 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.437 12.093 11.931 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.967 11.242 10.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.815 13.076 9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.570 14.056 10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.909 13.727 10.546 1.00 0.00 H new ATOM 908 N GLY A 53 -10.757 7.366 11.085 1.00 0.00 N ATOM 909 CA GLY A 53 -12.172 7.263 10.696 1.00 0.00 C ATOM 910 C GLY A 53 -12.439 7.824 9.291 1.00 0.00 C ATOM 911 O GLY A 53 -12.052 8.952 8.985 1.00 0.00 O ATOM 0 H GLY A 53 -10.256 6.487 10.956 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.480 6.218 10.731 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.784 7.800 11.420 1.00 0.00 H new ATOM 915 N LYS A 54 -13.060 7.017 8.412 1.00 0.00 N ATOM 916 CA LYS A 54 -13.326 7.273 6.971 1.00 0.00 C ATOM 917 C LYS A 54 -12.111 7.594 6.079 1.00 0.00 C ATOM 918 O LYS A 54 -12.219 7.587 4.854 1.00 0.00 O ATOM 919 CB LYS A 54 -14.470 8.297 6.844 1.00 0.00 C ATOM 920 CG LYS A 54 -15.320 8.089 5.585 1.00 0.00 C ATOM 921 CD LYS A 54 -16.178 9.328 5.306 1.00 0.00 C ATOM 922 CE LYS A 54 -17.080 9.114 4.081 1.00 0.00 C ATOM 923 NZ LYS A 54 -17.698 10.394 3.636 1.00 0.00 N ATOM 0 H LYS A 54 -13.416 6.106 8.701 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.633 6.315 6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.110 8.230 7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.051 9.303 6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -14.673 7.888 4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.961 7.217 5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.792 9.553 6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.533 10.191 5.140 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.496 8.687 3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.862 8.395 4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.302 10.218 2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.274 10.788 4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.950 11.071 3.382 1.00 0.00 H new ATOM 937 N THR A 55 -10.940 7.770 6.678 1.00 0.00 N ATOM 938 CA THR A 55 -9.647 7.889 6.010 1.00 0.00 C ATOM 939 C THR A 55 -8.697 6.904 6.659 1.00 0.00 C ATOM 940 O THR A 55 -8.351 7.049 7.835 1.00 0.00 O ATOM 941 CB THR A 55 -9.092 9.323 6.095 1.00 0.00 C ATOM 942 OG1 THR A 55 -10.104 10.300 5.924 1.00 0.00 O ATOM 943 CG2 THR A 55 -8.100 9.533 4.961 1.00 0.00 C ATOM 0 H THR A 55 -10.861 7.837 7.693 1.00 0.00 H new ATOM 0 HA THR A 55 -9.762 7.664 4.950 1.00 0.00 H new ATOM 0 HB THR A 55 -8.640 9.434 7.081 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.709 11.195 5.987 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.700 10.546 5.011 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.285 8.816 5.053 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.604 9.388 4.005 1.00 0.00 H new ATOM 951 N ALA A 56 -8.323 5.862 5.919 1.00 0.00 N ATOM 952 CA ALA A 56 -7.225 4.991 6.310 1.00 0.00 C ATOM 953 C ALA A 56 -5.896 5.586 5.818 1.00 0.00 C ATOM 954 O ALA A 56 -5.852 6.405 4.898 1.00 0.00 O ATOM 955 CB ALA A 56 -7.490 3.535 5.888 1.00 0.00 C ATOM 0 H ALA A 56 -8.770 5.602 5.040 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.147 4.941 7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.652 2.909 6.194 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.403 3.178 6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.604 3.485 4.805 1.00 0.00 H new ATOM 961 N TYR A 57 -4.808 5.189 6.463 1.00 0.00 N ATOM 962 CA TYR A 57 -3.447 5.598 6.158 1.00 0.00 C ATOM 963 C TYR A 57 -2.595 4.330 6.084 1.00 0.00 C ATOM 964 O TYR A 57 -2.373 3.659 7.097 1.00 0.00 O ATOM 965 CB TYR A 57 -2.938 6.587 7.222 1.00 0.00 C ATOM 966 CG TYR A 57 -3.730 7.880 7.353 1.00 0.00 C ATOM 967 CD1 TYR A 57 -3.241 9.070 6.778 1.00 0.00 C ATOM 968 CD2 TYR A 57 -4.948 7.902 8.063 1.00 0.00 C ATOM 969 CE1 TYR A 57 -3.985 10.263 6.879 1.00 0.00 C ATOM 970 CE2 TYR A 57 -5.707 9.083 8.143 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.228 10.269 7.552 1.00 0.00 C ATOM 972 OH TYR A 57 -5.959 11.414 7.641 1.00 0.00 O ATOM 0 H TYR A 57 -4.854 4.542 7.250 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.393 6.122 5.204 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.937 6.084 8.189 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.903 6.838 6.992 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.294 9.068 6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.301 7.005 8.549 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.605 11.174 6.441 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.657 9.081 8.657 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.786 11.237 8.136 1.00 0.00 H new ATOM 982 N ILE A 58 -2.134 3.981 4.881 1.00 0.00 N ATOM 983 CA ILE A 58 -1.164 2.900 4.690 1.00 0.00 C ATOM 984 C ILE A 58 0.186 3.436 5.152 1.00 0.00 C ATOM 985 O ILE A 58 0.780 4.247 4.440 1.00 0.00 O ATOM 986 CB ILE A 58 -1.067 2.444 3.214 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.407 2.274 2.472 1.00 0.00 C ATOM 988 CG2 ILE A 58 -0.216 1.168 3.149 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.346 1.223 3.056 1.00 0.00 C ATOM 0 H ILE A 58 -2.421 4.437 4.015 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.478 2.027 5.261 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.590 3.260 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.923 3.234 2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.199 2.015 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.139 0.835 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.781 1.375 3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.685 0.387 3.748 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.259 1.181 2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.857 0.249 3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.593 1.487 4.084 1.00 0.00 H new ATOM 1001 N LYS A 59 0.670 3.032 6.329 1.00 0.00 N ATOM 1002 CA LYS A 59 1.995 3.429 6.824 1.00 0.00 C ATOM 1003 C LYS A 59 2.966 2.255 6.746 1.00 0.00 C ATOM 1004 O LYS A 59 2.581 1.091 6.878 1.00 0.00 O ATOM 1005 CB LYS A 59 1.923 4.080 8.214 1.00 0.00 C ATOM 1006 CG LYS A 59 0.833 5.165 8.267 1.00 0.00 C ATOM 1007 CD LYS A 59 1.132 6.226 9.326 1.00 0.00 C ATOM 1008 CE LYS A 59 -0.051 7.189 9.422 1.00 0.00 C ATOM 1009 NZ LYS A 59 0.332 8.438 10.119 1.00 0.00 N ATOM 0 H LYS A 59 0.158 2.422 6.966 1.00 0.00 H new ATOM 0 HA LYS A 59 2.390 4.208 6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.717 3.317 8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.889 4.519 8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.748 5.641 7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.130 4.701 8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.310 5.753 10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.039 6.771 9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.414 7.424 8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.872 6.709 9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.524 8.933 10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.928 8.209 10.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.862 9.051 9.467 1.00 0.00 H new ATOM 1023 N LEU A 60 4.230 2.570 6.492 1.00 0.00 N ATOM 1024 CA LEU A 60 5.299 1.597 6.280 1.00 0.00 C ATOM 1025 C LEU A 60 6.434 1.877 7.268 1.00 0.00 C ATOM 1026 O LEU A 60 6.933 3.000 7.349 1.00 0.00 O ATOM 1027 CB LEU A 60 5.739 1.673 4.808 1.00 0.00 C ATOM 1028 CG LEU A 60 4.678 1.164 3.807 1.00 0.00 C ATOM 1029 CD1 LEU A 60 5.048 1.605 2.394 1.00 0.00 C ATOM 1030 CD2 LEU A 60 4.573 -0.363 3.821 1.00 0.00 C ATOM 0 H LEU A 60 4.551 3.536 6.426 1.00 0.00 H new ATOM 0 HA LEU A 60 4.963 0.577 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.985 2.707 4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.651 1.090 4.682 1.00 0.00 H new ATOM 0 HG LEU A 60 3.719 1.586 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.297 1.244 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.090 2.693 2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.022 1.193 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.817 -0.682 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.536 -0.796 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.292 -0.699 4.819 1.00 0.00 H new ATOM 1042 N GLU A 61 6.808 0.864 8.044 1.00 0.00 N ATOM 1043 CA GLU A 61 7.690 0.980 9.211 1.00 0.00 C ATOM 1044 C GLU A 61 8.965 0.144 9.040 1.00 0.00 C ATOM 1045 O GLU A 61 8.939 -0.921 8.428 1.00 0.00 O ATOM 1046 CB GLU A 61 6.949 0.523 10.477 1.00 0.00 C ATOM 1047 CG GLU A 61 5.689 1.339 10.797 1.00 0.00 C ATOM 1048 CD GLU A 61 5.081 0.934 12.154 1.00 0.00 C ATOM 1049 OE1 GLU A 61 4.630 1.820 12.913 1.00 0.00 O ATOM 1050 OE2 GLU A 61 5.040 -0.279 12.483 1.00 0.00 O ATOM 0 H GLU A 61 6.498 -0.093 7.876 1.00 0.00 H new ATOM 0 HA GLU A 61 7.977 2.027 9.305 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.671 -0.525 10.363 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.631 0.581 11.325 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.936 2.401 10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.950 1.193 10.009 1.00 0.00 H new ATOM 1057 N ASP A 62 10.088 0.569 9.616 1.00 0.00 N ATOM 1058 CA ASP A 62 11.302 -0.230 9.672 1.00 0.00 C ATOM 1059 C ASP A 62 11.081 -1.427 10.616 1.00 0.00 C ATOM 1060 O ASP A 62 10.604 -1.265 11.743 1.00 0.00 O ATOM 1061 CB ASP A 62 12.443 0.692 10.115 1.00 0.00 C ATOM 1062 CG ASP A 62 13.775 -0.054 10.189 1.00 0.00 C ATOM 1063 OD1 ASP A 62 13.922 -0.872 11.123 1.00 0.00 O ATOM 1064 OD2 ASP A 62 14.641 0.141 9.304 1.00 0.00 O ATOM 0 H ASP A 62 10.178 1.484 10.059 1.00 0.00 H new ATOM 0 HA ASP A 62 11.565 -0.650 8.701 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.530 1.525 9.417 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.209 1.117 11.091 1.00 0.00 H new ATOM 1069 N LYS A 63 11.430 -2.638 10.168 1.00 0.00 N ATOM 1070 CA LYS A 63 11.175 -3.896 10.903 1.00 0.00 C ATOM 1071 C LYS A 63 12.018 -4.069 12.183 1.00 0.00 C ATOM 1072 O LYS A 63 11.830 -5.045 12.912 1.00 0.00 O ATOM 1073 CB LYS A 63 11.283 -5.098 9.943 1.00 0.00 C ATOM 1074 CG LYS A 63 12.718 -5.364 9.454 1.00 0.00 C ATOM 1075 CD LYS A 63 12.818 -6.505 8.429 1.00 0.00 C ATOM 1076 CE LYS A 63 12.246 -6.112 7.058 1.00 0.00 C ATOM 1077 NZ LYS A 63 12.658 -7.070 5.998 1.00 0.00 N ATOM 0 H LYS A 63 11.903 -2.781 9.276 1.00 0.00 H new ATOM 0 HA LYS A 63 10.153 -3.843 11.278 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.907 -5.989 10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.640 -4.923 9.080 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.116 -4.452 9.010 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.347 -5.602 10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.862 -6.796 8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.284 -7.377 8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.158 -6.076 7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.585 -5.110 6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.803 -6.558 5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.545 -7.536 6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.915 -7.787 5.870 1.00 0.00 H new ATOM 1091 N VAL A 64 12.931 -3.135 12.458 1.00 0.00 N ATOM 1092 CA VAL A 64 13.875 -3.123 13.586 1.00 0.00 C ATOM 1093 C VAL A 64 13.549 -1.995 14.562 1.00 0.00 C ATOM 1094 O VAL A 64 13.563 -2.222 15.775 1.00 0.00 O ATOM 1095 CB VAL A 64 15.332 -2.969 13.090 1.00 0.00 C ATOM 1096 CG1 VAL A 64 16.321 -3.392 14.179 1.00 0.00 C ATOM 1097 CG2 VAL A 64 15.623 -3.777 11.816 1.00 0.00 C ATOM 0 H VAL A 64 13.041 -2.313 11.863 1.00 0.00 H new ATOM 0 HA VAL A 64 13.775 -4.078 14.102 1.00 0.00 H new ATOM 0 HB VAL A 64 15.457 -1.913 12.852 1.00 0.00 H new ATOM 0 HG11 VAL A 64 17.340 -3.276 13.810 1.00 0.00 H new ATOM 0 HG12 VAL A 64 16.181 -2.766 15.061 1.00 0.00 H new ATOM 0 HG13 VAL A 64 16.147 -4.435 14.443 1.00 0.00 H new ATOM 0 HG21 VAL A 64 16.661 -3.627 11.519 1.00 0.00 H new ATOM 0 HG22 VAL A 64 15.450 -4.836 12.009 1.00 0.00 H new ATOM 0 HG23 VAL A 64 14.964 -3.442 11.015 1.00 0.00 H new ATOM 1107 N SER A 65 13.231 -0.798 14.057 1.00 0.00 N ATOM 1108 CA SER A 65 13.052 0.408 14.882 1.00 0.00 C ATOM 1109 C SER A 65 11.626 0.968 14.905 1.00 0.00 C ATOM 1110 O SER A 65 11.313 1.824 15.736 1.00 0.00 O ATOM 1111 CB SER A 65 14.021 1.497 14.413 1.00 0.00 C ATOM 1112 OG SER A 65 13.778 1.812 13.053 1.00 0.00 O ATOM 0 H SER A 65 13.089 -0.635 13.060 1.00 0.00 H new ATOM 0 HA SER A 65 13.264 0.099 15.905 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.903 2.389 15.028 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.049 1.158 14.538 1.00 0.00 H new ATOM 0 HG SER A 65 14.401 2.510 12.763 1.00 0.00 H new ATOM 1118 N GLY A 66 10.754 0.512 14.000 1.00 0.00 N ATOM 1119 CA GLY A 66 9.425 1.087 13.777 1.00 0.00 C ATOM 1120 C GLY A 66 9.438 2.455 13.077 1.00 0.00 C ATOM 1121 O GLY A 66 8.401 3.114 13.020 1.00 0.00 O ATOM 0 H GLY A 66 10.956 -0.281 13.391 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.837 0.391 13.179 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.920 1.188 14.737 1.00 0.00 H new ATOM 1125 N GLU A 67 10.588 2.906 12.559 1.00 0.00 N ATOM 1126 CA GLU A 67 10.732 4.235 11.944 1.00 0.00 C ATOM 1127 C GLU A 67 9.947 4.356 10.631 1.00 0.00 C ATOM 1128 O GLU A 67 9.895 3.416 9.838 1.00 0.00 O ATOM 1129 CB GLU A 67 12.211 4.573 11.704 1.00 0.00 C ATOM 1130 CG GLU A 67 12.938 4.952 12.999 1.00 0.00 C ATOM 1131 CD GLU A 67 12.680 6.419 13.400 1.00 0.00 C ATOM 1132 OE1 GLU A 67 11.633 6.709 14.028 1.00 0.00 O ATOM 1133 OE2 GLU A 67 13.523 7.295 13.089 1.00 0.00 O ATOM 0 H GLU A 67 11.449 2.358 12.554 1.00 0.00 H new ATOM 0 HA GLU A 67 10.312 4.952 12.649 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.708 3.717 11.248 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.283 5.398 10.995 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.611 4.294 13.804 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.009 4.794 12.873 1.00 0.00 H new ATOM 1140 N LEU A 68 9.345 5.524 10.389 1.00 0.00 N ATOM 1141 CA LEU A 68 8.463 5.746 9.237 1.00 0.00 C ATOM 1142 C LEU A 68 9.259 5.872 7.923 1.00 0.00 C ATOM 1143 O LEU A 68 10.085 6.775 7.767 1.00 0.00 O ATOM 1144 CB LEU A 68 7.570 6.979 9.494 1.00 0.00 C ATOM 1145 CG LEU A 68 6.483 7.213 8.424 1.00 0.00 C ATOM 1146 CD1 LEU A 68 5.395 6.137 8.451 1.00 0.00 C ATOM 1147 CD2 LEU A 68 5.799 8.559 8.659 1.00 0.00 C ATOM 0 H LEU A 68 9.455 6.344 10.986 1.00 0.00 H new ATOM 0 HA LEU A 68 7.819 4.875 9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.088 6.867 10.465 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.202 7.865 9.552 1.00 0.00 H new ATOM 0 HG LEU A 68 6.990 7.184 7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.655 6.348 7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.844 5.161 8.266 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.910 6.134 9.427 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.033 8.716 7.899 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.337 8.565 9.646 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.538 9.358 8.600 1.00 0.00 H new ATOM 1159 N PHE A 69 8.963 4.998 6.962 1.00 0.00 N ATOM 1160 CA PHE A 69 9.467 5.048 5.586 1.00 0.00 C ATOM 1161 C PHE A 69 8.573 5.918 4.690 1.00 0.00 C ATOM 1162 O PHE A 69 9.059 6.860 4.058 1.00 0.00 O ATOM 1163 CB PHE A 69 9.593 3.610 5.063 1.00 0.00 C ATOM 1164 CG PHE A 69 9.773 3.485 3.561 1.00 0.00 C ATOM 1165 CD1 PHE A 69 10.818 4.156 2.901 1.00 0.00 C ATOM 1166 CD2 PHE A 69 8.882 2.691 2.817 1.00 0.00 C ATOM 1167 CE1 PHE A 69 10.955 4.049 1.505 1.00 0.00 C ATOM 1168 CE2 PHE A 69 9.027 2.572 1.427 1.00 0.00 C ATOM 1169 CZ PHE A 69 10.054 3.261 0.761 1.00 0.00 C ATOM 0 H PHE A 69 8.342 4.205 7.124 1.00 0.00 H new ATOM 0 HA PHE A 69 10.450 5.519 5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.440 3.134 5.556 1.00 0.00 H new ATOM 0 HB3 PHE A 69 8.701 3.055 5.354 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.517 4.754 3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.081 2.169 3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.754 4.573 1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.346 1.948 0.867 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.152 3.188 -0.312 1.00 0.00 H new ATOM 1179 N ALA A 70 7.268 5.628 4.660 1.00 0.00 N ATOM 1180 CA ALA A 70 6.275 6.353 3.866 1.00 0.00 C ATOM 1181 C ALA A 70 4.854 6.197 4.435 1.00 0.00 C ATOM 1182 O ALA A 70 4.580 5.272 5.208 1.00 0.00 O ATOM 1183 CB ALA A 70 6.325 5.843 2.419 1.00 0.00 C ATOM 0 H ALA A 70 6.865 4.863 5.201 1.00 0.00 H new ATOM 0 HA ALA A 70 6.518 7.415 3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.588 6.377 1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.320 6.013 2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.102 4.776 2.401 1.00 0.00 H new ATOM 1189 N GLN A 71 3.945 7.083 4.013 1.00 0.00 N ATOM 1190 CA GLN A 71 2.514 7.005 4.313 1.00 0.00 C ATOM 1191 C GLN A 71 1.636 7.430 3.120 1.00 0.00 C ATOM 1192 O GLN A 71 1.930 8.425 2.452 1.00 0.00 O ATOM 1193 CB GLN A 71 2.184 7.773 5.610 1.00 0.00 C ATOM 1194 CG GLN A 71 2.603 9.256 5.618 1.00 0.00 C ATOM 1195 CD GLN A 71 2.432 9.923 6.985 1.00 0.00 C ATOM 1196 OE1 GLN A 71 1.697 9.479 7.859 1.00 0.00 O ATOM 1197 NE2 GLN A 71 3.118 11.017 7.236 1.00 0.00 N ATOM 0 H GLN A 71 4.191 7.891 3.441 1.00 0.00 H new ATOM 0 HA GLN A 71 2.269 5.958 4.488 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.110 7.714 5.785 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.671 7.270 6.445 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.646 9.334 5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.012 9.798 4.880 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.737 11.406 6.524 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.031 11.477 8.142 1.00 0.00 H new ATOM 1206 N ALA A 72 0.560 6.678 2.856 1.00 0.00 N ATOM 1207 CA ALA A 72 -0.435 6.939 1.807 1.00 0.00 C ATOM 1208 C ALA A 72 -1.857 7.081 2.407 1.00 0.00 C ATOM 1209 O ALA A 72 -2.390 6.086 2.910 1.00 0.00 O ATOM 1210 CB ALA A 72 -0.411 5.797 0.779 1.00 0.00 C ATOM 0 H ALA A 72 0.350 5.835 3.390 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.180 7.879 1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.150 5.992 0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.580 5.732 0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.647 4.856 1.275 1.00 0.00 H new ATOM 1216 N PRO A 73 -2.497 8.267 2.368 1.00 0.00 N ATOM 1217 CA PRO A 73 -3.876 8.457 2.833 1.00 0.00 C ATOM 1218 C PRO A 73 -4.906 7.990 1.787 1.00 0.00 C ATOM 1219 O PRO A 73 -4.744 8.262 0.597 1.00 0.00 O ATOM 1220 CB PRO A 73 -3.988 9.959 3.107 1.00 0.00 C ATOM 1221 CG PRO A 73 -3.039 10.579 2.079 1.00 0.00 C ATOM 1222 CD PRO A 73 -1.924 9.541 1.947 1.00 0.00 C ATOM 0 HA PRO A 73 -4.091 7.861 3.720 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.010 10.316 2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.692 10.205 4.127 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.539 10.754 1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.654 11.541 2.418 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.565 9.485 0.919 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.070 9.807 2.569 1.00 0.00 H new ATOM 1230 N VAL A 74 -5.989 7.331 2.219 1.00 0.00 N ATOM 1231 CA VAL A 74 -7.071 6.811 1.356 1.00 0.00 C ATOM 1232 C VAL A 74 -8.458 7.199 1.852 1.00 0.00 C ATOM 1233 O VAL A 74 -8.777 6.975 3.013 1.00 0.00 O ATOM 1234 CB VAL A 74 -6.968 5.283 1.183 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -7.036 4.424 2.443 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -8.015 4.746 0.199 1.00 0.00 C ATOM 0 H VAL A 74 -6.146 7.136 3.208 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.934 7.281 0.382 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.951 5.182 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.951 3.372 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.218 4.693 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.987 4.593 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.907 3.665 0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.014 4.981 0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.869 5.210 -0.777 1.00 0.00 H new ATOM 1246 N GLU A 75 -9.306 7.715 0.956 1.00 0.00 N ATOM 1247 CA GLU A 75 -10.692 8.111 1.258 1.00 0.00 C ATOM 1248 C GLU A 75 -11.744 7.224 0.554 1.00 0.00 C ATOM 1249 O GLU A 75 -12.945 7.384 0.771 1.00 0.00 O ATOM 1250 CB GLU A 75 -10.901 9.592 0.892 1.00 0.00 C ATOM 1251 CG GLU A 75 -10.100 10.552 1.779 1.00 0.00 C ATOM 1252 CD GLU A 75 -10.342 12.016 1.363 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -9.502 12.589 0.625 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -11.370 12.609 1.770 1.00 0.00 O ATOM 0 H GLU A 75 -9.047 7.873 -0.018 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.841 7.969 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.616 9.746 -0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.961 9.833 0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.386 10.414 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.037 10.320 1.706 1.00 0.00 H new ATOM 1261 N GLN A 76 -11.302 6.305 -0.314 1.00 0.00 N ATOM 1262 CA GLN A 76 -12.131 5.361 -1.067 1.00 0.00 C ATOM 1263 C GLN A 76 -11.302 4.137 -1.489 1.00 0.00 C ATOM 1264 O GLN A 76 -10.204 4.313 -2.021 1.00 0.00 O ATOM 1265 CB GLN A 76 -12.758 5.989 -2.342 1.00 0.00 C ATOM 1266 CG GLN A 76 -12.518 7.480 -2.666 1.00 0.00 C ATOM 1267 CD GLN A 76 -11.068 7.919 -2.918 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -10.768 9.104 -2.961 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -10.105 7.037 -3.097 1.00 0.00 N ATOM 0 H GLN A 76 -10.309 6.196 -0.519 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.940 5.070 -0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -12.405 5.411 -3.196 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.836 5.840 -2.280 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.106 7.733 -3.549 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.912 8.073 -1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.315 6.039 -3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.149 7.352 -3.264 1.00 0.00 H new ATOM 1278 N TYR A 77 -11.850 2.927 -1.344 1.00 0.00 N ATOM 1279 CA TYR A 77 -11.257 1.683 -1.849 1.00 0.00 C ATOM 1280 C TYR A 77 -12.236 0.905 -2.757 1.00 0.00 C ATOM 1281 O TYR A 77 -13.339 0.588 -2.298 1.00 0.00 O ATOM 1282 CB TYR A 77 -10.769 0.817 -0.673 1.00 0.00 C ATOM 1283 CG TYR A 77 -9.877 -0.353 -1.057 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -8.788 -0.125 -1.913 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -10.067 -1.641 -0.516 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -7.887 -1.151 -2.232 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -9.169 -2.679 -0.837 1.00 0.00 C ATOM 1288 CZ TYR A 77 -8.071 -2.440 -1.690 1.00 0.00 C ATOM 1289 OH TYR A 77 -7.189 -3.438 -1.968 1.00 0.00 O ATOM 0 H TYR A 77 -12.737 2.781 -0.862 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.399 1.943 -2.469 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.226 1.454 0.025 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.639 0.431 -0.142 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.641 0.859 -2.334 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.900 -1.832 0.144 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.054 -0.955 -2.891 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.323 -3.666 -0.426 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.300 -3.056 -2.120 1.00 0.00 H new ATOM 1299 N PRO A 78 -11.870 0.566 -4.014 1.00 0.00 N ATOM 1300 CA PRO A 78 -10.664 0.978 -4.751 1.00 0.00 C ATOM 1301 C PRO A 78 -10.534 2.499 -4.965 1.00 0.00 C ATOM 1302 O PRO A 78 -11.524 3.233 -4.923 1.00 0.00 O ATOM 1303 CB PRO A 78 -10.725 0.245 -6.098 1.00 0.00 C ATOM 1304 CG PRO A 78 -11.616 -0.960 -5.811 1.00 0.00 C ATOM 1305 CD PRO A 78 -12.625 -0.379 -4.825 1.00 0.00 C ATOM 0 HA PRO A 78 -9.783 0.717 -4.164 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.146 0.877 -6.880 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.734 -0.060 -6.434 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.097 -1.336 -6.714 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.055 -1.789 -5.380 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.444 0.117 -5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.067 -1.161 -4.208 1.00 0.00 H new ATOM 1313 N GLY A 79 -9.309 2.968 -5.217 1.00 0.00 N ATOM 1314 CA GLY A 79 -9.000 4.370 -5.525 1.00 0.00 C ATOM 1315 C GLY A 79 -7.585 4.570 -6.082 1.00 0.00 C ATOM 1316 O GLY A 79 -6.922 3.616 -6.488 1.00 0.00 O ATOM 0 H GLY A 79 -8.483 2.370 -5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.724 4.744 -6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.115 4.968 -4.621 1.00 0.00 H new ATOM 1320 N ILE A 80 -7.095 5.815 -6.073 1.00 0.00 N ATOM 1321 CA ILE A 80 -5.720 6.156 -6.491 1.00 0.00 C ATOM 1322 C ILE A 80 -4.701 5.882 -5.376 1.00 0.00 C ATOM 1323 O ILE A 80 -3.527 5.635 -5.645 1.00 0.00 O ATOM 1324 CB ILE A 80 -5.659 7.615 -7.009 1.00 0.00 C ATOM 1325 CG1 ILE A 80 -4.297 8.012 -7.622 1.00 0.00 C ATOM 1326 CG2 ILE A 80 -5.993 8.649 -5.917 1.00 0.00 C ATOM 1327 CD1 ILE A 80 -3.799 7.071 -8.725 1.00 0.00 C ATOM 0 H ILE A 80 -7.641 6.623 -5.774 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.441 5.504 -7.318 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.417 7.631 -7.793 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.376 9.020 -8.030 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.551 8.047 -6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.935 9.653 -6.337 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.001 8.470 -5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.280 8.556 -5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.838 7.424 -9.098 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.684 6.065 -8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.521 7.053 -9.541 1.00 0.00 H new ATOM 1339 N ALA A 81 -5.147 5.881 -4.113 1.00 0.00 N ATOM 1340 CA ALA A 81 -4.271 5.652 -2.974 1.00 0.00 C ATOM 1341 C ALA A 81 -3.847 4.190 -2.811 1.00 0.00 C ATOM 1342 O ALA A 81 -2.864 3.933 -2.124 1.00 0.00 O ATOM 1343 CB ALA A 81 -4.939 6.151 -1.699 1.00 0.00 C ATOM 0 H ALA A 81 -6.123 6.039 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.357 6.214 -3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.278 5.977 -0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.142 7.218 -1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.876 5.615 -1.546 1.00 0.00 H new ATOM 1349 N VAL A 82 -4.579 3.249 -3.410 1.00 0.00 N ATOM 1350 CA VAL A 82 -4.335 1.804 -3.340 1.00 0.00 C ATOM 1351 C VAL A 82 -5.060 1.097 -4.501 1.00 0.00 C ATOM 1352 O VAL A 82 -6.277 1.205 -4.656 1.00 0.00 O ATOM 1353 CB VAL A 82 -4.745 1.251 -1.965 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -6.115 1.727 -1.484 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -4.497 -0.255 -1.883 1.00 0.00 C ATOM 0 H VAL A 82 -5.392 3.481 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.268 1.608 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.083 1.695 -1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.329 1.292 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.115 2.814 -1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.879 1.415 -2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.796 -0.620 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.081 -0.762 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.438 -0.458 -2.039 1.00 0.00 H new ATOM 1365 N GLU A 83 -4.309 0.371 -5.326 1.00 0.00 N ATOM 1366 CA GLU A 83 -4.773 -0.290 -6.556 1.00 0.00 C ATOM 1367 C GLU A 83 -4.143 -1.682 -6.720 1.00 0.00 C ATOM 1368 O GLU A 83 -3.030 -1.922 -6.249 1.00 0.00 O ATOM 1369 CB GLU A 83 -4.438 0.596 -7.776 1.00 0.00 C ATOM 1370 CG GLU A 83 -5.646 0.900 -8.672 1.00 0.00 C ATOM 1371 CD GLU A 83 -6.112 -0.335 -9.464 1.00 0.00 C ATOM 1372 OE1 GLU A 83 -6.815 -1.194 -8.879 1.00 0.00 O ATOM 1373 OE2 GLU A 83 -5.767 -0.455 -10.662 1.00 0.00 O ATOM 0 H GLU A 83 -3.316 0.217 -5.153 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.852 -0.424 -6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.013 1.536 -7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.671 0.102 -8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.468 1.266 -8.057 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.388 1.699 -9.367 1.00 0.00 H new ATOM 1380 N THR A 84 -4.812 -2.593 -7.433 1.00 0.00 N ATOM 1381 CA THR A 84 -4.318 -3.949 -7.704 1.00 0.00 C ATOM 1382 C THR A 84 -3.890 -4.043 -9.159 1.00 0.00 C ATOM 1383 O THR A 84 -4.642 -4.462 -10.035 1.00 0.00 O ATOM 1384 CB THR A 84 -5.347 -5.033 -7.388 1.00 0.00 C ATOM 1385 OG1 THR A 84 -6.101 -4.747 -6.225 1.00 0.00 O ATOM 1386 CG2 THR A 84 -4.661 -6.370 -7.168 1.00 0.00 C ATOM 0 H THR A 84 -5.726 -2.407 -7.845 1.00 0.00 H new ATOM 0 HA THR A 84 -3.469 -4.126 -7.044 1.00 0.00 H new ATOM 0 HB THR A 84 -6.017 -5.068 -8.247 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.575 -4.974 -5.430 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.409 -7.130 -6.944 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.116 -6.652 -8.069 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.965 -6.289 -6.333 1.00 0.00 H new ATOM 1394 N VAL A 85 -2.647 -3.624 -9.371 1.00 0.00 N ATOM 1395 CA VAL A 85 -1.741 -3.932 -10.494 1.00 0.00 C ATOM 1396 C VAL A 85 -2.395 -4.232 -11.845 1.00 0.00 C ATOM 1397 O VAL A 85 -2.372 -3.376 -12.730 1.00 0.00 O ATOM 1398 CB VAL A 85 -0.720 -5.012 -10.087 1.00 0.00 C ATOM 1399 CG1 VAL A 85 0.373 -4.332 -9.257 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -1.284 -6.176 -9.265 1.00 0.00 C ATOM 0 H VAL A 85 -2.197 -3.000 -8.702 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.224 -2.992 -10.689 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.358 -5.452 -11.016 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.113 -5.073 -8.953 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.857 -3.560 -9.855 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.072 -3.879 -8.371 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.484 -6.878 -9.032 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.712 -5.793 -8.339 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.058 -6.686 -9.839 1.00 0.00 H new ATOM 1410 N THR A 86 -2.966 -5.425 -12.004 1.00 0.00 N ATOM 1411 CA THR A 86 -3.993 -5.719 -13.016 1.00 0.00 C ATOM 1412 C THR A 86 -5.134 -6.557 -12.465 1.00 0.00 C ATOM 1413 O THR A 86 -6.304 -6.224 -12.658 1.00 0.00 O ATOM 1414 CB THR A 86 -3.437 -6.476 -14.228 1.00 0.00 C ATOM 1415 OG1 THR A 86 -2.604 -7.541 -13.844 1.00 0.00 O ATOM 1416 CG2 THR A 86 -2.581 -5.555 -15.073 1.00 0.00 C ATOM 0 H THR A 86 -2.728 -6.231 -11.426 1.00 0.00 H new ATOM 0 HA THR A 86 -4.353 -4.736 -13.318 1.00 0.00 H new ATOM 0 HB THR A 86 -4.301 -6.850 -14.778 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.271 -8.000 -14.643 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.192 -6.104 -15.930 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.184 -4.717 -15.422 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.750 -5.180 -14.475 1.00 0.00 H new ATOM 1424 N ASP A 87 -4.790 -7.666 -11.811 1.00 0.00 N ATOM 1425 CA ASP A 87 -5.774 -8.683 -11.409 1.00 0.00 C ATOM 1426 C ASP A 87 -5.372 -9.420 -10.127 1.00 0.00 C ATOM 1427 O ASP A 87 -5.936 -9.136 -9.069 1.00 0.00 O ATOM 1428 CB ASP A 87 -6.042 -9.633 -12.583 1.00 0.00 C ATOM 1429 CG ASP A 87 -7.079 -10.713 -12.233 1.00 0.00 C ATOM 1430 OD1 ASP A 87 -8.295 -10.447 -12.385 1.00 0.00 O ATOM 1431 OD2 ASP A 87 -6.681 -11.826 -11.818 1.00 0.00 O ATOM 0 H ASP A 87 -3.831 -7.888 -11.544 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.707 -8.178 -11.160 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.394 -9.058 -13.440 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.109 -10.111 -12.881 1.00 0.00 H new ATOM 1436 N SER A 88 -4.373 -10.307 -10.192 1.00 0.00 N ATOM 1437 CA SER A 88 -3.755 -10.877 -8.985 1.00 0.00 C ATOM 1438 C SER A 88 -3.368 -9.852 -7.925 1.00 0.00 C ATOM 1439 O SER A 88 -2.777 -8.814 -8.221 1.00 0.00 O ATOM 1440 CB SER A 88 -2.473 -11.627 -9.282 1.00 0.00 C ATOM 1441 OG SER A 88 -2.197 -12.508 -8.223 1.00 0.00 O ATOM 0 H SER A 88 -3.974 -10.647 -11.067 1.00 0.00 H new ATOM 0 HA SER A 88 -4.543 -11.531 -8.613 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.570 -12.181 -10.216 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.649 -10.925 -9.411 1.00 0.00 H new ATOM 0 HG SER A 88 -1.369 -12.997 -8.412 1.00 0.00 H new ATOM 1447 N SER A 89 -3.616 -10.208 -6.670 1.00 0.00 N ATOM 1448 CA SER A 89 -3.411 -9.350 -5.510 1.00 0.00 C ATOM 1449 C SER A 89 -2.189 -9.712 -4.663 1.00 0.00 C ATOM 1450 O SER A 89 -2.067 -9.253 -3.530 1.00 0.00 O ATOM 1451 CB SER A 89 -4.721 -9.289 -4.737 1.00 0.00 C ATOM 1452 OG SER A 89 -5.066 -10.571 -4.236 1.00 0.00 O ATOM 0 H SER A 89 -3.976 -11.130 -6.425 1.00 0.00 H new ATOM 0 HA SER A 89 -3.152 -8.347 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.630 -8.583 -3.912 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.515 -8.920 -5.386 1.00 0.00 H new ATOM 0 HG SER A 89 -5.910 -10.512 -3.741 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.236 -10.479 -5.223 1.00 0.00 N ATOM 1459 CA ARG A 90 0.124 -10.656 -4.663 1.00 0.00 C ATOM 1460 C ARG A 90 0.868 -9.317 -4.527 1.00 0.00 C ATOM 1461 O ARG A 90 1.659 -9.131 -3.599 1.00 0.00 O ATOM 1462 CB ARG A 90 0.901 -11.633 -5.568 1.00 0.00 C ATOM 1463 CG ARG A 90 2.223 -12.110 -4.937 1.00 0.00 C ATOM 1464 CD ARG A 90 3.065 -12.998 -5.865 1.00 0.00 C ATOM 1465 NE ARG A 90 2.429 -14.304 -6.144 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.705 -14.630 -7.203 1.00 0.00 C ATOM 1467 NH1 ARG A 90 1.169 -15.808 -7.313 1.00 0.00 N ATOM 1468 NH2 ARG A 90 1.483 -13.797 -8.171 1.00 0.00 N ATOM 0 H ARG A 90 -1.386 -11.001 -6.087 1.00 0.00 H new ATOM 0 HA ARG A 90 0.044 -11.066 -3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.274 -12.498 -5.783 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.113 -11.148 -6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.812 -11.240 -4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.001 -12.662 -4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.235 -12.474 -6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.042 -13.165 -5.412 1.00 0.00 H new ATOM 0 HE ARG A 90 2.563 -15.033 -5.444 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.303 -16.500 -6.576 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.614 -16.041 -8.137 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.871 -12.855 -8.132 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.920 -14.084 -8.972 1.00 0.00 H new ATOM 1482 N TYR A 91 0.575 -8.390 -5.439 1.00 0.00 N ATOM 1483 CA TYR A 91 1.090 -7.023 -5.479 1.00 0.00 C ATOM 1484 C TYR A 91 -0.029 -5.978 -5.408 1.00 0.00 C ATOM 1485 O TYR A 91 -1.187 -6.258 -5.725 1.00 0.00 O ATOM 1486 CB TYR A 91 1.877 -6.811 -6.780 1.00 0.00 C ATOM 1487 CG TYR A 91 2.916 -7.860 -7.101 1.00 0.00 C ATOM 1488 CD1 TYR A 91 4.177 -7.818 -6.480 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.619 -8.864 -8.041 1.00 0.00 C ATOM 1490 CE1 TYR A 91 5.141 -8.796 -6.783 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.583 -9.834 -8.359 1.00 0.00 C ATOM 1492 CZ TYR A 91 4.846 -9.812 -7.721 1.00 0.00 C ATOM 1493 OH TYR A 91 5.782 -10.754 -8.010 1.00 0.00 O ATOM 0 H TYR A 91 -0.063 -8.584 -6.211 1.00 0.00 H new ATOM 0 HA TYR A 91 1.732 -6.893 -4.608 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.168 -6.764 -7.607 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.372 -5.841 -6.729 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.405 -7.036 -5.771 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.650 -8.888 -8.518 1.00 0.00 H new ATOM 0 HE1 TYR A 91 6.106 -8.771 -6.299 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.361 -10.597 -9.090 1.00 0.00 H new ATOM 0 HH TYR A 91 5.422 -11.380 -8.672 1.00 0.00 H new ATOM 1503 N PHE A 92 0.358 -4.749 -5.073 1.00 0.00 N ATOM 1504 CA PHE A 92 -0.473 -3.542 -5.135 1.00 0.00 C ATOM 1505 C PHE A 92 0.355 -2.349 -5.622 1.00 0.00 C ATOM 1506 O PHE A 92 1.572 -2.449 -5.764 1.00 0.00 O ATOM 1507 CB PHE A 92 -1.072 -3.246 -3.752 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.961 -4.353 -3.235 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.455 -5.264 -2.293 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -3.278 -4.490 -3.716 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.276 -6.300 -1.821 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -4.091 -5.541 -3.255 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.589 -6.447 -2.304 1.00 0.00 C ATOM 0 H PHE A 92 1.301 -4.556 -4.736 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.285 -3.710 -5.842 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.262 -3.078 -3.042 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.647 -2.322 -3.803 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.441 -5.168 -1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.664 -3.787 -4.440 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.897 -6.990 -1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.098 -5.652 -3.630 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.210 -7.254 -1.945 1.00 0.00 H new ATOM 1523 N VAL A 93 -0.299 -1.211 -5.835 1.00 0.00 N ATOM 1524 CA VAL A 93 0.320 0.111 -5.998 1.00 0.00 C ATOM 1525 C VAL A 93 -0.375 1.095 -5.064 1.00 0.00 C ATOM 1526 O VAL A 93 -1.603 1.103 -5.019 1.00 0.00 O ATOM 1527 CB VAL A 93 0.238 0.587 -7.461 1.00 0.00 C ATOM 1528 CG1 VAL A 93 0.727 2.029 -7.635 1.00 0.00 C ATOM 1529 CG2 VAL A 93 1.086 -0.319 -8.359 1.00 0.00 C ATOM 0 H VAL A 93 -1.316 -1.178 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 93 1.378 0.049 -5.741 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.813 0.541 -7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.649 2.316 -8.684 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.114 2.697 -7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.767 2.102 -7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.020 0.027 -9.391 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.125 -0.287 -8.031 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.717 -1.343 -8.295 1.00 0.00 H new ATOM 1539 N ILE A 94 0.373 1.928 -4.334 1.00 0.00 N ATOM 1540 CA ILE A 94 -0.175 2.984 -3.471 1.00 0.00 C ATOM 1541 C ILE A 94 0.426 4.357 -3.810 1.00 0.00 C ATOM 1542 O ILE A 94 1.576 4.460 -4.250 1.00 0.00 O ATOM 1543 CB ILE A 94 -0.055 2.635 -1.961 1.00 0.00 C ATOM 1544 CG1 ILE A 94 1.409 2.626 -1.479 1.00 0.00 C ATOM 1545 CG2 ILE A 94 -0.711 1.277 -1.649 1.00 0.00 C ATOM 1546 CD1 ILE A 94 1.517 2.579 0.046 1.00 0.00 C ATOM 0 H ILE A 94 1.392 1.889 -4.325 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.243 3.047 -3.679 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.584 3.420 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.924 1.765 -1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.917 3.516 -1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.611 1.060 -0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.768 1.314 -1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.219 0.494 -2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.568 2.574 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.027 3.454 0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.034 1.675 0.417 1.00 0.00 H new ATOM 1558 N ARG A 95 -0.352 5.419 -3.578 1.00 0.00 N ATOM 1559 CA ARG A 95 0.071 6.825 -3.702 1.00 0.00 C ATOM 1560 C ARG A 95 0.466 7.348 -2.323 1.00 0.00 C ATOM 1561 O ARG A 95 -0.396 7.737 -1.536 1.00 0.00 O ATOM 1562 CB ARG A 95 -1.044 7.637 -4.392 1.00 0.00 C ATOM 1563 CG ARG A 95 -0.736 9.120 -4.677 1.00 0.00 C ATOM 1564 CD ARG A 95 -0.901 10.001 -3.431 1.00 0.00 C ATOM 1565 NE ARG A 95 -0.952 11.437 -3.749 1.00 0.00 N ATOM 1566 CZ ARG A 95 -1.984 12.156 -4.145 1.00 0.00 C ATOM 1567 NH1 ARG A 95 -1.814 13.426 -4.360 1.00 0.00 N ATOM 1568 NH2 ARG A 95 -3.171 11.652 -4.331 1.00 0.00 N ATOM 0 H ARG A 95 -1.326 5.325 -3.289 1.00 0.00 H new ATOM 0 HA ARG A 95 0.952 6.925 -4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.286 7.151 -5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.938 7.587 -3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.284 9.211 -5.051 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.398 9.481 -5.464 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.815 9.717 -2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.073 9.814 -2.748 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.072 11.943 -3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.896 13.848 -4.222 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.599 14.001 -4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.334 10.658 -4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.937 12.251 -4.638 1.00 0.00 H new ATOM 1582 N ILE A 96 1.762 7.358 -2.031 1.00 0.00 N ATOM 1583 CA ILE A 96 2.329 7.953 -0.812 1.00 0.00 C ATOM 1584 C ILE A 96 2.542 9.464 -0.978 1.00 0.00 C ATOM 1585 O ILE A 96 2.612 9.974 -2.099 1.00 0.00 O ATOM 1586 CB ILE A 96 3.631 7.238 -0.378 1.00 0.00 C ATOM 1587 CG1 ILE A 96 4.708 7.269 -1.482 1.00 0.00 C ATOM 1588 CG2 ILE A 96 3.337 5.793 0.061 1.00 0.00 C ATOM 1589 CD1 ILE A 96 6.112 6.978 -0.956 1.00 0.00 C ATOM 0 H ILE A 96 2.467 6.946 -2.643 1.00 0.00 H new ATOM 0 HA ILE A 96 1.604 7.809 -0.011 1.00 0.00 H new ATOM 0 HB ILE A 96 4.032 7.786 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.455 6.537 -2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.701 8.248 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.266 5.308 0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.643 5.802 0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.894 5.244 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.824 7.014 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.383 7.724 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.132 5.987 -0.502 1.00 0.00 H new ATOM 1601 N GLN A 97 2.705 10.177 0.136 1.00 0.00 N ATOM 1602 CA GLN A 97 3.274 11.528 0.144 1.00 0.00 C ATOM 1603 C GLN A 97 4.697 11.553 0.703 1.00 0.00 C ATOM 1604 O GLN A 97 5.035 10.786 1.607 1.00 0.00 O ATOM 1605 CB GLN A 97 2.356 12.522 0.867 1.00 0.00 C ATOM 1606 CG GLN A 97 1.161 12.913 -0.016 1.00 0.00 C ATOM 1607 CD GLN A 97 0.662 14.318 0.300 1.00 0.00 C ATOM 1608 OE1 GLN A 97 -0.383 14.529 0.901 1.00 0.00 O ATOM 1609 NE2 GLN A 97 1.408 15.332 -0.091 1.00 0.00 N ATOM 0 H GLN A 97 2.446 9.835 1.061 1.00 0.00 H new ATOM 0 HA GLN A 97 3.344 11.850 -0.895 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.996 12.080 1.796 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.921 13.414 1.136 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.450 12.857 -1.065 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.351 12.198 0.130 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.280 15.160 -0.592 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.114 16.288 0.108 1.00 0.00 H new ATOM 1682 N SER A 103 3.918 14.127 -3.788 1.00 0.00 N ATOM 1683 CA SER A 103 3.462 12.729 -3.841 1.00 0.00 C ATOM 1684 C SER A 103 4.383 11.821 -4.668 1.00 0.00 C ATOM 1685 O SER A 103 5.087 12.291 -5.564 1.00 0.00 O ATOM 1686 CB SER A 103 2.057 12.664 -4.450 1.00 0.00 C ATOM 1687 OG SER A 103 1.130 13.445 -3.710 1.00 0.00 O ATOM 0 HA SER A 103 3.470 12.368 -2.813 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.090 13.017 -5.481 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.720 11.628 -4.478 1.00 0.00 H new ATOM 0 HG SER A 103 1.609 14.149 -3.225 1.00 0.00 H new ATOM 1693 N ALA A 104 4.331 10.511 -4.407 1.00 0.00 N ATOM 1694 CA ALA A 104 4.960 9.468 -5.223 1.00 0.00 C ATOM 1695 C ALA A 104 4.105 8.189 -5.290 1.00 0.00 C ATOM 1696 O ALA A 104 3.409 7.840 -4.335 1.00 0.00 O ATOM 1697 CB ALA A 104 6.364 9.178 -4.674 1.00 0.00 C ATOM 0 H ALA A 104 3.835 10.136 -3.598 1.00 0.00 H new ATOM 0 HA ALA A 104 5.042 9.831 -6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.837 8.403 -5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.965 10.086 -4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.288 8.839 -3.641 1.00 0.00 H new ATOM 1703 N PHE A 105 4.184 7.463 -6.408 1.00 0.00 N ATOM 1704 CA PHE A 105 3.596 6.127 -6.551 1.00 0.00 C ATOM 1705 C PHE A 105 4.660 5.040 -6.353 1.00 0.00 C ATOM 1706 O PHE A 105 5.731 5.084 -6.967 1.00 0.00 O ATOM 1707 CB PHE A 105 2.889 5.990 -7.906 1.00 0.00 C ATOM 1708 CG PHE A 105 1.911 7.110 -8.204 1.00 0.00 C ATOM 1709 CD1 PHE A 105 2.316 8.193 -9.010 1.00 0.00 C ATOM 1710 CD2 PHE A 105 0.619 7.101 -7.645 1.00 0.00 C ATOM 1711 CE1 PHE A 105 1.437 9.263 -9.250 1.00 0.00 C ATOM 1712 CE2 PHE A 105 -0.267 8.161 -7.910 1.00 0.00 C ATOM 1713 CZ PHE A 105 0.141 9.245 -8.707 1.00 0.00 C ATOM 0 H PHE A 105 4.662 7.788 -7.248 1.00 0.00 H new ATOM 0 HA PHE A 105 2.845 5.993 -5.773 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.640 5.957 -8.695 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.357 5.039 -7.933 1.00 0.00 H new ATOM 0 HD1 PHE A 105 3.305 8.201 -9.444 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.309 6.282 -7.014 1.00 0.00 H new ATOM 0 HE1 PHE A 105 1.758 10.100 -9.852 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -1.266 8.142 -7.499 1.00 0.00 H new ATOM 0 HZ PHE A 105 -0.539 10.061 -8.901 1.00 0.00 H new ATOM 1723 N ILE A 106 4.350 4.043 -5.522 1.00 0.00 N ATOM 1724 CA ILE A 106 5.152 2.818 -5.353 1.00 0.00 C ATOM 1725 C ILE A 106 4.282 1.577 -5.529 1.00 0.00 C ATOM 1726 O ILE A 106 3.133 1.534 -5.087 1.00 0.00 O ATOM 1727 CB ILE A 106 5.914 2.756 -4.004 1.00 0.00 C ATOM 1728 CG1 ILE A 106 4.929 2.815 -2.803 1.00 0.00 C ATOM 1729 CG2 ILE A 106 6.926 3.914 -3.930 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.531 2.760 -1.396 1.00 0.00 C ATOM 0 H ILE A 106 3.518 4.060 -4.933 1.00 0.00 H new ATOM 0 HA ILE A 106 5.912 2.845 -6.134 1.00 0.00 H new ATOM 0 HB ILE A 106 6.448 1.808 -3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 106 4.351 3.735 -2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.227 1.987 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.461 3.870 -2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.637 3.829 -4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.397 4.864 -4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.732 2.810 -0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.082 1.828 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.208 3.603 -1.257 1.00 0.00 H new ATOM 1742 N GLY A 107 4.860 0.546 -6.133 1.00 0.00 N ATOM 1743 CA GLY A 107 4.374 -0.819 -6.055 1.00 0.00 C ATOM 1744 C GLY A 107 4.742 -1.449 -4.713 1.00 0.00 C ATOM 1745 O GLY A 107 5.713 -1.052 -4.063 1.00 0.00 O ATOM 0 H GLY A 107 5.700 0.642 -6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.292 -0.833 -6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.799 -1.408 -6.867 1.00 0.00 H new ATOM 1749 N ILE A 108 3.976 -2.453 -4.303 1.00 0.00 N ATOM 1750 CA ILE A 108 4.230 -3.271 -3.115 1.00 0.00 C ATOM 1751 C ILE A 108 4.164 -4.747 -3.516 1.00 0.00 C ATOM 1752 O ILE A 108 3.318 -5.114 -4.331 1.00 0.00 O ATOM 1753 CB ILE A 108 3.212 -2.989 -1.986 1.00 0.00 C ATOM 1754 CG1 ILE A 108 3.099 -1.468 -1.731 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.631 -3.734 -0.703 1.00 0.00 C ATOM 1756 CD1 ILE A 108 2.343 -1.102 -0.455 1.00 0.00 C ATOM 0 H ILE A 108 3.132 -2.732 -4.803 1.00 0.00 H new ATOM 0 HA ILE A 108 5.217 -3.019 -2.728 1.00 0.00 H new ATOM 0 HB ILE A 108 2.231 -3.353 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.102 -1.044 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.600 -1.004 -2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.909 -3.531 0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.663 -4.806 -0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.618 -3.393 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.309 -0.018 -0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.327 -1.493 -0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.853 -1.534 0.406 1.00 0.00 H new ATOM 1768 N GLY A 109 4.995 -5.596 -2.913 1.00 0.00 N ATOM 1769 CA GLY A 109 4.897 -7.054 -2.984 1.00 0.00 C ATOM 1770 C GLY A 109 5.175 -7.697 -1.625 1.00 0.00 C ATOM 1771 O GLY A 109 6.127 -7.337 -0.930 1.00 0.00 O ATOM 0 H GLY A 109 5.780 -5.279 -2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.902 -7.337 -3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.606 -7.433 -3.720 1.00 0.00 H new ATOM 1775 N PHE A 110 4.325 -8.642 -1.231 1.00 0.00 N ATOM 1776 CA PHE A 110 4.394 -9.319 0.068 1.00 0.00 C ATOM 1777 C PHE A 110 5.194 -10.628 0.040 1.00 0.00 C ATOM 1778 O PHE A 110 5.394 -11.249 -1.006 1.00 0.00 O ATOM 1779 CB PHE A 110 2.972 -9.555 0.582 1.00 0.00 C ATOM 1780 CG PHE A 110 2.290 -8.308 1.111 1.00 0.00 C ATOM 1781 CD1 PHE A 110 1.776 -7.325 0.239 1.00 0.00 C ATOM 1782 CD2 PHE A 110 2.189 -8.127 2.502 1.00 0.00 C ATOM 1783 CE1 PHE A 110 1.175 -6.167 0.765 1.00 0.00 C ATOM 1784 CE2 PHE A 110 1.564 -6.985 3.024 1.00 0.00 C ATOM 1785 CZ PHE A 110 1.073 -5.996 2.155 1.00 0.00 C ATOM 0 H PHE A 110 3.554 -8.967 -1.814 1.00 0.00 H new ATOM 0 HA PHE A 110 4.939 -8.665 0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 110 2.370 -9.971 -0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.003 -10.303 1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.844 -7.461 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.595 -8.871 3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.791 -5.408 0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.460 -6.866 4.092 1.00 0.00 H new ATOM 0 HZ PHE A 110 0.617 -5.103 2.557 1.00 0.00 H new ATOM 1795 N THR A 111 5.610 -11.070 1.232 1.00 0.00 N ATOM 1796 CA THR A 111 6.286 -12.359 1.449 1.00 0.00 C ATOM 1797 C THR A 111 5.342 -13.559 1.277 1.00 0.00 C ATOM 1798 O THR A 111 5.761 -14.646 0.873 1.00 0.00 O ATOM 1799 CB THR A 111 6.963 -12.355 2.828 1.00 0.00 C ATOM 1800 OG1 THR A 111 7.909 -13.398 2.920 1.00 0.00 O ATOM 1801 CG2 THR A 111 5.989 -12.480 3.999 1.00 0.00 C ATOM 0 H THR A 111 5.485 -10.534 2.091 1.00 0.00 H new ATOM 0 HA THR A 111 7.049 -12.477 0.680 1.00 0.00 H new ATOM 0 HB THR A 111 7.445 -11.381 2.906 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.331 -13.379 3.804 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.544 -12.469 4.937 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.290 -11.644 3.982 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.437 -13.416 3.915 1.00 0.00 H new ATOM 1809 N ASP A 112 4.046 -13.340 1.519 1.00 0.00 N ATOM 1810 CA ASP A 112 2.956 -14.296 1.301 1.00 0.00 C ATOM 1811 C ASP A 112 1.776 -13.616 0.589 1.00 0.00 C ATOM 1812 O ASP A 112 1.397 -12.493 0.938 1.00 0.00 O ATOM 1813 CB ASP A 112 2.509 -14.891 2.648 1.00 0.00 C ATOM 1814 CG ASP A 112 1.790 -16.235 2.460 1.00 0.00 C ATOM 1815 OD1 ASP A 112 0.660 -16.233 1.922 1.00 0.00 O ATOM 1816 OD2 ASP A 112 2.356 -17.290 2.833 1.00 0.00 O ATOM 0 H ASP A 112 3.713 -12.450 1.889 1.00 0.00 H new ATOM 0 HA ASP A 112 3.315 -15.103 0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.378 -15.029 3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.845 -14.190 3.154 1.00 0.00 H new ATOM 1821 N ARG A 113 1.140 -14.291 -0.377 1.00 0.00 N ATOM 1822 CA ARG A 113 -0.049 -13.748 -1.057 1.00 0.00 C ATOM 1823 C ARG A 113 -1.276 -13.677 -0.139 1.00 0.00 C ATOM 1824 O ARG A 113 -2.148 -12.846 -0.367 1.00 0.00 O ATOM 1825 CB ARG A 113 -0.310 -14.530 -2.357 1.00 0.00 C ATOM 1826 CG ARG A 113 -1.235 -13.762 -3.320 1.00 0.00 C ATOM 1827 CD ARG A 113 -2.622 -14.381 -3.496 1.00 0.00 C ATOM 1828 NE ARG A 113 -2.551 -15.629 -4.282 1.00 0.00 N ATOM 1829 CZ ARG A 113 -2.561 -15.714 -5.602 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -2.374 -16.832 -6.225 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -2.743 -14.698 -6.381 1.00 0.00 N ATOM 0 H ARG A 113 1.426 -15.213 -0.707 1.00 0.00 H new ATOM 0 HA ARG A 113 0.154 -12.711 -1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.639 -14.735 -2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.758 -15.494 -2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -1.350 -12.741 -2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.752 -13.700 -4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -3.058 -14.587 -2.519 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -3.280 -13.670 -3.995 1.00 0.00 H new ATOM 0 HE ARG A 113 -2.489 -16.503 -3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.211 -17.689 -5.697 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.389 -16.856 -7.245 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.889 -13.770 -5.983 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -2.741 -14.824 -7.393 1.00 0.00 H new ATOM 1845 N GLY A 114 -1.321 -14.464 0.938 1.00 0.00 N ATOM 1846 CA GLY A 114 -2.297 -14.324 2.023 1.00 0.00 C ATOM 1847 C GLY A 114 -2.069 -13.070 2.882 1.00 0.00 C ATOM 1848 O GLY A 114 -3.033 -12.428 3.296 1.00 0.00 O ATOM 0 H GLY A 114 -0.667 -15.233 1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.300 -14.289 1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.251 -15.207 2.661 1.00 0.00 H new ATOM 1852 N ASP A 115 -0.812 -12.651 3.078 1.00 0.00 N ATOM 1853 CA ASP A 115 -0.493 -11.370 3.729 1.00 0.00 C ATOM 1854 C ASP A 115 -0.887 -10.174 2.840 1.00 0.00 C ATOM 1855 O ASP A 115 -1.398 -9.171 3.341 1.00 0.00 O ATOM 1856 CB ASP A 115 0.981 -11.322 4.166 1.00 0.00 C ATOM 1857 CG ASP A 115 1.270 -12.182 5.413 1.00 0.00 C ATOM 1858 OD1 ASP A 115 2.341 -12.830 5.464 1.00 0.00 O ATOM 1859 OD2 ASP A 115 0.455 -12.172 6.367 1.00 0.00 O ATOM 0 H ASP A 115 0.009 -13.185 2.793 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.093 -11.292 4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.609 -11.663 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.259 -10.288 4.372 1.00 0.00 H new ATOM 1864 N ALA A 116 -0.769 -10.311 1.516 1.00 0.00 N ATOM 1865 CA ALA A 116 -1.308 -9.341 0.562 1.00 0.00 C ATOM 1866 C ALA A 116 -2.854 -9.347 0.510 1.00 0.00 C ATOM 1867 O ALA A 116 -3.490 -8.296 0.436 1.00 0.00 O ATOM 1868 CB ALA A 116 -0.704 -9.634 -0.810 1.00 0.00 C ATOM 0 H ALA A 116 -0.296 -11.100 1.076 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.033 -8.338 0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.092 -8.922 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.381 -9.543 -0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.969 -10.646 -1.116 1.00 0.00 H new ATOM 1874 N PHE A 117 -3.491 -10.514 0.620 1.00 0.00 N ATOM 1875 CA PHE A 117 -4.953 -10.615 0.674 1.00 0.00 C ATOM 1876 C PHE A 117 -5.533 -9.948 1.936 1.00 0.00 C ATOM 1877 O PHE A 117 -6.599 -9.336 1.876 1.00 0.00 O ATOM 1878 CB PHE A 117 -5.361 -12.088 0.553 1.00 0.00 C ATOM 1879 CG PHE A 117 -6.799 -12.297 0.130 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.790 -12.596 1.084 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.143 -12.211 -1.233 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -9.115 -12.829 0.672 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -8.467 -12.441 -1.643 1.00 0.00 C ATOM 1884 CZ PHE A 117 -9.452 -12.758 -0.691 1.00 0.00 C ATOM 0 H PHE A 117 -3.012 -11.413 0.674 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.377 -10.066 -0.167 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.706 -12.577 -0.168 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -5.201 -12.579 1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.533 -12.647 2.132 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -6.387 -11.968 -1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -9.874 -13.063 1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -8.728 -12.374 -2.689 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.467 -12.947 -1.007 1.00 0.00 H new ATOM 1894 N ASP A 118 -4.797 -9.967 3.052 1.00 0.00 N ATOM 1895 CA ASP A 118 -5.136 -9.242 4.280 1.00 0.00 C ATOM 1896 C ASP A 118 -4.952 -7.725 4.115 1.00 0.00 C ATOM 1897 O ASP A 118 -5.748 -6.958 4.659 1.00 0.00 O ATOM 1898 CB ASP A 118 -4.274 -9.752 5.442 1.00 0.00 C ATOM 1899 CG ASP A 118 -4.731 -11.077 6.075 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -5.912 -11.477 5.941 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -3.891 -11.685 6.783 1.00 0.00 O ATOM 0 H ASP A 118 -3.930 -10.499 3.128 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.188 -9.426 4.496 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.251 -9.874 5.086 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.253 -8.987 6.218 1.00 0.00 H new ATOM 1906 N PHE A 119 -3.969 -7.272 3.325 1.00 0.00 N ATOM 1907 CA PHE A 119 -3.817 -5.857 2.973 1.00 0.00 C ATOM 1908 C PHE A 119 -5.043 -5.325 2.202 1.00 0.00 C ATOM 1909 O PHE A 119 -5.488 -4.203 2.442 1.00 0.00 O ATOM 1910 CB PHE A 119 -2.496 -5.651 2.210 1.00 0.00 C ATOM 1911 CG PHE A 119 -2.324 -4.285 1.571 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -1.554 -3.298 2.201 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -2.933 -3.997 0.337 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -1.440 -2.018 1.638 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -2.782 -2.732 -0.257 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.049 -1.734 0.406 1.00 0.00 C ATOM 0 H PHE A 119 -3.258 -7.877 2.913 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.768 -5.267 3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.668 -5.819 2.898 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.423 -6.410 1.431 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -1.045 -3.524 3.126 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.522 -4.754 -0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -0.883 -1.250 2.154 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.228 -2.528 -1.219 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.954 -0.751 -0.031 1.00 0.00 H new ATOM 1926 N ASN A 120 -5.646 -6.150 1.337 1.00 0.00 N ATOM 1927 CA ASN A 120 -6.929 -5.848 0.697 1.00 0.00 C ATOM 1928 C ASN A 120 -8.095 -5.901 1.702 1.00 0.00 C ATOM 1929 O ASN A 120 -8.806 -4.910 1.863 1.00 0.00 O ATOM 1930 CB ASN A 120 -7.109 -6.770 -0.524 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.556 -6.951 -0.959 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -9.220 -6.052 -1.449 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -9.108 -8.126 -0.770 1.00 0.00 N ATOM 0 H ASN A 120 -5.254 -7.050 1.061 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.931 -4.820 0.334 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.538 -6.364 -1.359 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.685 -7.747 -0.293 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -10.082 -8.280 -1.032 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.563 -8.885 -0.361 1.00 0.00 H new ATOM 1940 N VAL A 121 -8.301 -7.017 2.411 1.00 0.00 N ATOM 1941 CA VAL A 121 -9.495 -7.214 3.262 1.00 0.00 C ATOM 1942 C VAL A 121 -9.560 -6.234 4.440 1.00 0.00 C ATOM 1943 O VAL A 121 -10.650 -5.773 4.779 1.00 0.00 O ATOM 1944 CB VAL A 121 -9.608 -8.684 3.721 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -10.720 -8.921 4.753 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -9.922 -9.594 2.524 1.00 0.00 C ATOM 0 H VAL A 121 -7.655 -7.806 2.416 1.00 0.00 H new ATOM 0 HA VAL A 121 -10.365 -6.988 2.645 1.00 0.00 H new ATOM 0 HB VAL A 121 -8.645 -8.915 4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -10.741 -9.975 5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -10.528 -8.317 5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -11.681 -8.639 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -9.999 -10.627 2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.866 -9.289 2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -9.124 -9.513 1.786 1.00 0.00 H new ATOM 1956 N SER A 122 -8.420 -5.824 5.006 1.00 0.00 N ATOM 1957 CA SER A 122 -8.377 -4.772 6.037 1.00 0.00 C ATOM 1958 C SER A 122 -8.829 -3.391 5.536 1.00 0.00 C ATOM 1959 O SER A 122 -9.249 -2.569 6.352 1.00 0.00 O ATOM 1960 CB SER A 122 -6.985 -4.668 6.670 1.00 0.00 C ATOM 1961 OG SER A 122 -5.979 -4.452 5.704 1.00 0.00 O ATOM 0 H SER A 122 -7.505 -6.206 4.767 1.00 0.00 H new ATOM 0 HA SER A 122 -9.098 -5.083 6.792 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.975 -3.852 7.392 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.768 -5.583 7.221 1.00 0.00 H new ATOM 0 HG SER A 122 -5.787 -5.292 5.238 1.00 0.00 H new ATOM 1967 N LEU A 123 -8.817 -3.143 4.219 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.394 -1.943 3.597 1.00 0.00 C ATOM 1969 C LEU A 123 -10.828 -2.177 3.100 1.00 0.00 C ATOM 1970 O LEU A 123 -11.664 -1.284 3.227 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.481 -1.457 2.462 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.062 -1.075 2.911 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -6.197 -0.793 1.688 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -7.037 0.149 3.833 1.00 0.00 C ATOM 0 H LEU A 123 -8.398 -3.783 3.544 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.458 -1.166 4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.412 -2.240 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.943 -0.593 1.984 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.671 -1.920 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.191 -0.522 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.151 -1.684 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -6.630 0.029 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.008 0.370 4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.462 1.006 3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.624 -0.058 4.728 1.00 0.00 H new ATOM 1986 N GLN A 124 -11.163 -3.377 2.609 1.00 0.00 N ATOM 1987 CA GLN A 124 -12.549 -3.730 2.262 1.00 0.00 C ATOM 1988 C GLN A 124 -13.467 -3.564 3.485 1.00 0.00 C ATOM 1989 O GLN A 124 -14.465 -2.846 3.418 1.00 0.00 O ATOM 1990 CB GLN A 124 -12.648 -5.173 1.731 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.889 -5.432 0.418 1.00 0.00 C ATOM 1992 CD GLN A 124 -12.468 -4.744 -0.818 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -13.574 -4.218 -0.839 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -11.743 -4.753 -1.915 1.00 0.00 N ATOM 0 H GLN A 124 -10.490 -4.125 2.442 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.872 -3.052 1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -12.268 -5.853 2.494 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -13.699 -5.418 1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.856 -5.107 0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.865 -6.507 0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.820 -5.187 -1.913 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.104 -4.326 -2.768 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.080 -4.134 4.632 1.00 0.00 N ATOM 2004 CA ASP A 125 -13.815 -4.027 5.902 1.00 0.00 C ATOM 2005 C ASP A 125 -13.696 -2.637 6.559 1.00 0.00 C ATOM 2006 O ASP A 125 -14.387 -2.355 7.537 1.00 0.00 O ATOM 2007 CB ASP A 125 -13.335 -5.128 6.856 1.00 0.00 C ATOM 2008 CG ASP A 125 -14.276 -5.332 8.057 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -15.479 -5.616 7.843 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -13.802 -5.267 9.218 1.00 0.00 O ATOM 0 H ASP A 125 -12.231 -4.694 4.707 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.874 -4.159 5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.247 -6.065 6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.339 -4.877 7.220 1.00 0.00 H new ATOM 2015 N HIS A 126 -12.853 -1.746 6.022 1.00 0.00 N ATOM 2016 CA HIS A 126 -12.757 -0.354 6.476 1.00 0.00 C ATOM 2017 C HIS A 126 -13.794 0.559 5.814 1.00 0.00 C ATOM 2018 O HIS A 126 -14.375 1.402 6.493 1.00 0.00 O ATOM 2019 CB HIS A 126 -11.345 0.197 6.272 1.00 0.00 C ATOM 2020 CG HIS A 126 -11.222 1.610 6.776 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -11.034 2.743 5.982 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -11.317 1.988 8.082 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -11.005 3.779 6.833 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -11.177 3.354 8.095 1.00 0.00 N ATOM 0 H HIS A 126 -12.216 -1.972 5.258 1.00 0.00 H new ATOM 0 HA HIS A 126 -12.978 -0.363 7.543 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.628 -0.439 6.791 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.091 0.165 5.212 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -10.939 2.776 4.967 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.471 1.343 8.935 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -10.863 4.810 6.544 1.00 0.00 H new ATOM 2032 N PHE A 127 -14.076 0.375 4.520 1.00 0.00 N ATOM 2033 CA PHE A 127 -15.055 1.211 3.803 1.00 0.00 C ATOM 2034 C PHE A 127 -16.479 0.632 3.835 1.00 0.00 C ATOM 2035 O PHE A 127 -17.457 1.368 3.707 1.00 0.00 O ATOM 2036 CB PHE A 127 -14.554 1.561 2.395 1.00 0.00 C ATOM 2037 CG PHE A 127 -13.363 2.505 2.429 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -13.562 3.885 2.636 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -12.052 2.000 2.335 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -12.456 4.743 2.759 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -10.943 2.858 2.455 1.00 0.00 C ATOM 2042 CZ PHE A 127 -11.149 4.232 2.670 1.00 0.00 C ATOM 0 H PHE A 127 -13.641 -0.346 3.944 1.00 0.00 H new ATOM 0 HA PHE A 127 -15.140 2.154 4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -14.276 0.646 1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -15.363 2.020 1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -14.564 4.283 2.700 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -11.896 0.944 2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -12.610 5.799 2.923 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -9.940 2.464 2.382 1.00 0.00 H new ATOM 0 HZ PHE A 127 -10.303 4.896 2.767 1.00 0.00 H new ATOM 2052 N LYS A 128 -16.589 -0.671 4.121 1.00 0.00 N ATOM 2053 CA LYS A 128 -17.798 -1.453 4.430 1.00 0.00 C ATOM 2054 C LYS A 128 -18.858 -0.734 5.283 1.00 0.00 C ATOM 2055 O LYS A 128 -20.048 -0.843 4.986 1.00 0.00 O ATOM 2056 CB LYS A 128 -17.250 -2.718 5.109 1.00 0.00 C ATOM 2057 CG LYS A 128 -18.220 -3.711 5.741 1.00 0.00 C ATOM 2058 CD LYS A 128 -18.756 -3.289 7.119 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.915 -4.470 8.082 1.00 0.00 C ATOM 2060 NZ LYS A 128 -19.980 -5.415 7.655 1.00 0.00 N ATOM 0 H LYS A 128 -15.758 -1.262 4.145 1.00 0.00 H new ATOM 0 HA LYS A 128 -18.363 -1.656 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.665 -3.260 4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -16.558 -2.397 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -19.063 -3.856 5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -17.721 -4.675 5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -18.079 -2.557 7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -19.720 -2.796 6.993 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -17.968 -5.005 8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.146 -4.093 9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -20.047 -6.195 8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -20.891 -4.915 7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -19.749 -5.798 6.716 1.00 0.00 H new ATOM 2074 N TRP A 129 -18.447 -0.021 6.335 1.00 0.00 N ATOM 2075 CA TRP A 129 -19.341 0.620 7.321 1.00 0.00 C ATOM 2076 C TRP A 129 -19.506 2.147 7.147 1.00 0.00 C ATOM 2077 O TRP A 129 -20.162 2.793 7.967 1.00 0.00 O ATOM 2078 CB TRP A 129 -18.895 0.207 8.735 1.00 0.00 C ATOM 2079 CG TRP A 129 -17.460 0.489 9.062 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.425 -0.366 8.899 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -16.868 1.736 9.537 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.247 0.265 9.227 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -15.450 1.583 9.579 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -17.390 3.003 9.867 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -14.590 2.649 9.891 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -16.537 4.084 10.171 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.141 3.914 10.166 1.00 0.00 C ATOM 0 H TRP A 129 -17.459 0.134 6.536 1.00 0.00 H new ATOM 0 HA TRP A 129 -20.352 0.254 7.143 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -19.524 0.722 9.461 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -19.075 -0.861 8.858 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -16.510 -1.389 8.563 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -14.333 -0.188 9.212 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -18.460 3.148 9.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -13.521 2.500 9.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -16.959 5.049 10.409 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -14.493 4.753 10.373 1.00 0.00 H new ATOM 2098 N VAL A 130 -18.950 2.734 6.081 1.00 0.00 N ATOM 2099 CA VAL A 130 -18.922 4.189 5.806 1.00 0.00 C ATOM 2100 C VAL A 130 -19.312 4.511 4.353 1.00 0.00 C ATOM 2101 O VAL A 130 -19.663 3.626 3.573 1.00 0.00 O ATOM 2102 CB VAL A 130 -17.556 4.835 6.181 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -17.740 5.756 7.393 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -16.411 3.867 6.459 1.00 0.00 C ATOM 0 H VAL A 130 -18.486 2.192 5.352 1.00 0.00 H new ATOM 0 HA VAL A 130 -19.677 4.636 6.452 1.00 0.00 H new ATOM 0 HB VAL A 130 -17.255 5.383 5.288 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -16.783 6.208 7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -18.457 6.540 7.149 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -18.111 5.176 8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -15.512 4.430 6.709 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -16.677 3.219 7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -16.225 3.260 5.573 1.00 0.00 H new