USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 528 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 38 GLN : amide:sc= -1.75 K(o=-6.9,f=-8.6) USER MOD Set 1.2: A 77 MET CE :methyl 159:sc= -5.17! (180deg=-5.24!) USER MOD Single : A 17 THR OG1 : rot 26:sc= 0.207 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.797 USER MOD Single : A 44 ASN : amide:sc= -0.794 X(o=-0.79,f=-1.2) USER MOD Single : A 45 THR OG1 : rot -170:sc= 0.113 USER MOD Single : A 46 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.0057) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0225 USER MOD Single : A 66 SER OG : rot 4:sc= -0.443 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -144:sc= -0.0505 (180deg=-1.89!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 160:sc= -0.0273 (180deg=-0.304) USER MOD Single : A 90 ASN : amide:sc= -2.74 K(o=-2.7,f=-4.1) USER MOD Single : A 91 LYS NZ :NH3+ 141:sc= -0.542 (180deg=-3.66!) USER MOD ----------------------------------------------------------------- ATOM 202 N THR A 17 3.768 4.378 1.564 1.00 0.00 N ATOM 203 CA THR A 17 4.250 3.077 2.010 1.00 0.00 C ATOM 204 C THR A 17 3.260 2.424 2.968 1.00 0.00 C ATOM 205 O THR A 17 2.406 3.095 3.548 1.00 0.00 O ATOM 206 CB THR A 17 5.619 3.194 2.706 1.00 0.00 C ATOM 207 OG1 THR A 17 6.515 3.966 1.898 1.00 0.00 O ATOM 208 CG2 THR A 17 6.216 1.818 2.961 1.00 0.00 C ATOM 0 HA THR A 17 4.355 2.456 1.120 1.00 0.00 H new ATOM 0 HB THR A 17 5.473 3.693 3.664 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.000 4.570 1.323 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.182 1.926 3.453 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.546 1.243 3.600 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.348 1.297 2.013 1.00 0.00 H new ATOM 216 N VAL A 18 3.381 1.110 3.131 1.00 0.00 N ATOM 217 CA VAL A 18 2.498 0.365 4.021 1.00 0.00 C ATOM 218 C VAL A 18 3.269 -0.219 5.198 1.00 0.00 C ATOM 219 O VAL A 18 4.460 -0.514 5.089 1.00 0.00 O ATOM 220 CB VAL A 18 1.780 -0.775 3.274 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.259 -0.289 1.930 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.713 -1.963 3.096 1.00 0.00 C ATOM 0 H VAL A 18 4.082 0.540 2.658 1.00 0.00 H new ATOM 0 HA VAL A 18 1.755 1.070 4.392 1.00 0.00 H new ATOM 0 HB VAL A 18 0.927 -1.097 3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.755 -1.108 1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.555 0.529 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.093 0.061 1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.191 -2.760 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.586 -1.657 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.032 -2.325 4.073 1.00 0.00 H new ATOM 232 N TYR A 19 2.584 -0.384 6.324 1.00 0.00 N ATOM 233 CA TYR A 19 3.206 -0.932 7.524 1.00 0.00 C ATOM 234 C TYR A 19 2.953 -2.433 7.632 1.00 0.00 C ATOM 235 O TYR A 19 1.863 -2.866 8.006 1.00 0.00 O ATOM 236 CB TYR A 19 2.671 -0.223 8.769 1.00 0.00 C ATOM 237 CG TYR A 19 3.483 -0.495 10.016 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.625 -1.788 10.507 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.106 0.539 10.703 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.365 -2.041 11.646 1.00 0.00 C ATOM 241 CE2 TYR A 19 4.849 0.294 11.841 1.00 0.00 C ATOM 242 CZ TYR A 19 4.975 -0.997 12.309 1.00 0.00 C ATOM 243 OH TYR A 19 5.713 -1.244 13.444 1.00 0.00 O ATOM 0 H TYR A 19 1.598 -0.146 6.431 1.00 0.00 H new ATOM 0 HA TYR A 19 4.281 -0.767 7.453 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.652 0.851 8.585 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.641 -0.536 8.941 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.149 -2.608 9.990 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.008 1.552 10.341 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.465 -3.051 12.015 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.329 1.109 12.362 1.00 0.00 H new ATOM 0 HH TYR A 19 6.076 -0.401 13.788 1.00 0.00 H new ATOM 253 N VAL A 20 3.970 -3.223 7.301 1.00 0.00 N ATOM 254 CA VAL A 20 3.860 -4.676 7.361 1.00 0.00 C ATOM 255 C VAL A 20 4.440 -5.217 8.663 1.00 0.00 C ATOM 256 O VAL A 20 5.628 -5.055 8.940 1.00 0.00 O ATOM 257 CB VAL A 20 4.581 -5.343 6.175 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.401 -6.852 6.221 1.00 0.00 C ATOM 259 CG2 VAL A 20 4.073 -4.777 4.857 1.00 0.00 C ATOM 0 H VAL A 20 4.879 -2.881 6.989 1.00 0.00 H new ATOM 0 HA VAL A 20 2.798 -4.915 7.312 1.00 0.00 H new ATOM 0 HB VAL A 20 5.646 -5.126 6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.917 -7.306 5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.817 -7.240 7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.339 -7.094 6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.593 -5.259 4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.002 -4.962 4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.259 -3.703 4.826 1.00 0.00 H new ATOM 269 N GLY A 21 3.593 -5.861 9.460 1.00 0.00 N ATOM 270 CA GLY A 21 4.040 -6.417 10.724 1.00 0.00 C ATOM 271 C GLY A 21 3.496 -7.810 10.969 1.00 0.00 C ATOM 272 O GLY A 21 2.283 -8.018 10.976 1.00 0.00 O ATOM 0 H GLY A 21 2.605 -6.008 9.253 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.129 -6.448 10.739 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.729 -5.761 11.537 1.00 0.00 H new ATOM 276 N GLY A 22 4.395 -8.768 11.171 1.00 0.00 N ATOM 277 CA GLY A 22 3.979 -10.137 11.413 1.00 0.00 C ATOM 278 C GLY A 22 4.338 -11.063 10.268 1.00 0.00 C ATOM 279 O GLY A 22 3.506 -11.848 9.810 1.00 0.00 O ATOM 0 H GLY A 22 5.404 -8.621 11.171 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.446 -10.499 12.329 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.901 -10.163 11.573 1.00 0.00 H new ATOM 283 N LEU A 23 5.578 -10.973 9.803 1.00 0.00 N ATOM 284 CA LEU A 23 6.046 -11.809 8.702 1.00 0.00 C ATOM 285 C LEU A 23 6.804 -13.024 9.225 1.00 0.00 C ATOM 286 O LEU A 23 7.124 -13.105 10.412 1.00 0.00 O ATOM 287 CB LEU A 23 6.943 -10.998 7.765 1.00 0.00 C ATOM 288 CG LEU A 23 6.311 -9.752 7.142 1.00 0.00 C ATOM 289 CD1 LEU A 23 7.387 -8.812 6.621 1.00 0.00 C ATOM 290 CD2 LEU A 23 5.353 -10.142 6.026 1.00 0.00 C ATOM 0 H LEU A 23 6.279 -10.329 10.171 1.00 0.00 H new ATOM 0 HA LEU A 23 5.175 -12.158 8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.831 -10.692 8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.279 -11.652 6.960 1.00 0.00 H new ATOM 0 HG LEU A 23 5.745 -9.230 7.913 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.919 -7.931 6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.033 -8.507 7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.981 -9.323 5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.912 -9.243 5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.896 -10.687 5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.563 -10.775 6.429 1.00 0.00 H new ATOM 302 N ASP A 24 7.091 -13.965 8.333 1.00 0.00 N ATOM 303 CA ASP A 24 7.816 -15.175 8.704 1.00 0.00 C ATOM 304 C ASP A 24 9.224 -15.166 8.118 1.00 0.00 C ATOM 305 O ASP A 24 9.564 -14.304 7.309 1.00 0.00 O ATOM 306 CB ASP A 24 7.059 -16.415 8.225 1.00 0.00 C ATOM 307 CG ASP A 24 7.721 -17.705 8.669 1.00 0.00 C ATOM 308 OD1 ASP A 24 8.211 -17.756 9.817 1.00 0.00 O ATOM 309 OD2 ASP A 24 7.749 -18.663 7.869 1.00 0.00 O ATOM 0 H ASP A 24 6.833 -13.914 7.348 1.00 0.00 H new ATOM 0 HA ASP A 24 7.894 -15.203 9.791 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.038 -16.384 8.606 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.993 -16.399 7.137 1.00 0.00 H new ATOM 314 N GLU A 25 10.039 -16.131 8.535 1.00 0.00 N ATOM 315 CA GLU A 25 11.411 -16.231 8.053 1.00 0.00 C ATOM 316 C GLU A 25 11.443 -16.467 6.545 1.00 0.00 C ATOM 317 O GLU A 25 12.362 -16.027 5.855 1.00 0.00 O ATOM 318 CB GLU A 25 12.146 -17.364 8.772 1.00 0.00 C ATOM 319 CG GLU A 25 11.557 -18.739 8.504 1.00 0.00 C ATOM 320 CD GLU A 25 12.568 -19.854 8.686 1.00 0.00 C ATOM 321 OE1 GLU A 25 13.619 -19.817 8.011 1.00 0.00 O ATOM 322 OE2 GLU A 25 12.311 -20.762 9.503 1.00 0.00 O ATOM 0 H GLU A 25 9.773 -16.853 9.204 1.00 0.00 H new ATOM 0 HA GLU A 25 11.913 -15.287 8.267 1.00 0.00 H new ATOM 0 HB2 GLU A 25 13.192 -17.360 8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 25 12.129 -17.174 9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.714 -18.906 9.174 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.167 -18.771 7.487 1.00 0.00 H new ATOM 329 N LYS A 26 10.431 -17.164 6.040 1.00 0.00 N ATOM 330 CA LYS A 26 10.340 -17.459 4.615 1.00 0.00 C ATOM 331 C LYS A 26 10.234 -16.174 3.800 1.00 0.00 C ATOM 332 O LYS A 26 10.980 -15.972 2.841 1.00 0.00 O ATOM 333 CB LYS A 26 9.130 -18.354 4.335 1.00 0.00 C ATOM 334 CG LYS A 26 9.226 -19.726 4.980 1.00 0.00 C ATOM 335 CD LYS A 26 8.497 -20.779 4.163 1.00 0.00 C ATOM 336 CE LYS A 26 6.995 -20.725 4.399 1.00 0.00 C ATOM 337 NZ LYS A 26 6.361 -22.064 4.243 1.00 0.00 N ATOM 0 H LYS A 26 9.662 -17.535 6.597 1.00 0.00 H new ATOM 0 HA LYS A 26 11.249 -17.983 4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.229 -17.856 4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.020 -18.475 3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.274 -20.007 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.804 -19.687 5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.706 -20.628 3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.872 -21.768 4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.798 -20.344 5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.542 -20.025 3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.338 -21.985 4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.527 -22.416 3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.775 -22.726 4.930 1.00 0.00 H new ATOM 351 N VAL A 27 9.304 -15.307 4.187 1.00 0.00 N ATOM 352 CA VAL A 27 9.103 -14.040 3.493 1.00 0.00 C ATOM 353 C VAL A 27 10.436 -13.404 3.114 1.00 0.00 C ATOM 354 O VAL A 27 11.455 -13.639 3.764 1.00 0.00 O ATOM 355 CB VAL A 27 8.301 -13.049 4.357 1.00 0.00 C ATOM 356 CG1 VAL A 27 8.279 -11.673 3.709 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.887 -13.563 4.583 1.00 0.00 C ATOM 0 H VAL A 27 8.678 -15.459 4.978 1.00 0.00 H new ATOM 0 HA VAL A 27 8.538 -14.261 2.587 1.00 0.00 H new ATOM 0 HB VAL A 27 8.790 -12.960 5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.708 -10.986 4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.299 -11.304 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.814 -11.741 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.334 -12.850 5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.385 -13.682 3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.927 -14.525 5.093 1.00 0.00 H new ATOM 367 N SER A 28 10.421 -12.598 2.058 1.00 0.00 N ATOM 368 CA SER A 28 11.629 -11.929 1.589 1.00 0.00 C ATOM 369 C SER A 28 11.304 -10.546 1.034 1.00 0.00 C ATOM 370 O SER A 28 10.139 -10.163 0.936 1.00 0.00 O ATOM 371 CB SER A 28 12.320 -12.773 0.516 1.00 0.00 C ATOM 372 OG SER A 28 11.579 -12.768 -0.692 1.00 0.00 O ATOM 0 H SER A 28 9.585 -12.392 1.510 1.00 0.00 H new ATOM 0 HA SER A 28 12.302 -11.811 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.322 -12.385 0.333 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.434 -13.797 0.872 1.00 0.00 H new ATOM 0 HG SER A 28 12.042 -13.313 -1.362 1.00 0.00 H new ATOM 378 N GLU A 29 12.344 -9.801 0.674 1.00 0.00 N ATOM 379 CA GLU A 29 12.170 -8.459 0.130 1.00 0.00 C ATOM 380 C GLU A 29 11.491 -8.510 -1.236 1.00 0.00 C ATOM 381 O GLU A 29 10.467 -7.869 -1.472 1.00 0.00 O ATOM 382 CB GLU A 29 13.522 -7.752 0.013 1.00 0.00 C ATOM 383 CG GLU A 29 13.876 -6.911 1.228 1.00 0.00 C ATOM 384 CD GLU A 29 15.370 -6.851 1.480 1.00 0.00 C ATOM 385 OE1 GLU A 29 16.061 -7.852 1.199 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.849 -5.800 1.958 1.00 0.00 O ATOM 0 H GLU A 29 13.315 -10.103 0.749 1.00 0.00 H new ATOM 0 HA GLU A 29 11.533 -7.898 0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.301 -8.499 -0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.513 -7.114 -0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.494 -5.900 1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.379 -7.322 2.107 1.00 0.00 H new ATOM 393 N PRO A 30 12.074 -9.290 -2.158 1.00 0.00 N ATOM 394 CA PRO A 30 11.543 -9.444 -3.515 1.00 0.00 C ATOM 395 C PRO A 30 10.233 -10.225 -3.541 1.00 0.00 C ATOM 396 O PRO A 30 9.696 -10.522 -4.608 1.00 0.00 O ATOM 397 CB PRO A 30 12.644 -10.222 -4.241 1.00 0.00 C ATOM 398 CG PRO A 30 13.357 -10.964 -3.163 1.00 0.00 C ATOM 399 CD PRO A 30 13.296 -10.083 -1.945 1.00 0.00 C ATOM 0 HA PRO A 30 11.309 -8.482 -3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.225 -10.904 -4.981 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.319 -9.551 -4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.883 -11.927 -2.973 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.390 -11.168 -3.446 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.240 -10.669 -1.028 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.178 -9.448 -1.864 1.00 0.00 H new ATOM 407 N LEU A 31 9.724 -10.555 -2.359 1.00 0.00 N ATOM 408 CA LEU A 31 8.476 -11.302 -2.245 1.00 0.00 C ATOM 409 C LEU A 31 7.286 -10.357 -2.120 1.00 0.00 C ATOM 410 O LEU A 31 6.306 -10.474 -2.858 1.00 0.00 O ATOM 411 CB LEU A 31 8.527 -12.239 -1.037 1.00 0.00 C ATOM 412 CG LEU A 31 7.268 -13.066 -0.775 1.00 0.00 C ATOM 413 CD1 LEU A 31 7.018 -14.035 -1.921 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.388 -13.816 0.544 1.00 0.00 C ATOM 0 H LEU A 31 10.156 -10.317 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 31 8.352 -11.895 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.366 -12.923 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.737 -11.643 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 31 6.418 -12.388 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.118 -14.615 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.888 -13.476 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.869 -14.709 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.483 -14.399 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.249 -14.484 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.518 -13.103 1.358 1.00 0.00 H new ATOM 426 N LEU A 32 7.377 -9.419 -1.184 1.00 0.00 N ATOM 427 CA LEU A 32 6.309 -8.451 -0.963 1.00 0.00 C ATOM 428 C LEU A 32 6.015 -7.665 -2.237 1.00 0.00 C ATOM 429 O LEU A 32 4.856 -7.430 -2.579 1.00 0.00 O ATOM 430 CB LEU A 32 6.688 -7.491 0.166 1.00 0.00 C ATOM 431 CG LEU A 32 7.289 -8.131 1.417 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.657 -7.065 2.438 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.318 -9.137 2.020 1.00 0.00 C ATOM 0 H LEU A 32 8.180 -9.308 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 32 5.410 -8.998 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.401 -6.765 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.797 -6.936 0.459 1.00 0.00 H new ATOM 0 HG LEU A 32 8.198 -8.660 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.083 -7.539 3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.388 -6.383 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.764 -6.508 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.762 -9.583 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.392 -8.631 2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.104 -9.918 1.291 1.00 0.00 H new ATOM 445 N TRP A 33 7.071 -7.263 -2.935 1.00 0.00 N ATOM 446 CA TRP A 33 6.925 -6.505 -4.173 1.00 0.00 C ATOM 447 C TRP A 33 5.816 -7.089 -5.042 1.00 0.00 C ATOM 448 O TRP A 33 4.756 -6.485 -5.198 1.00 0.00 O ATOM 449 CB TRP A 33 8.244 -6.495 -4.947 1.00 0.00 C ATOM 450 CG TRP A 33 8.384 -5.321 -5.868 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.430 -4.820 -6.706 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.546 -4.504 -6.045 1.00 0.00 C ATOM 453 NE1 TRP A 33 7.929 -3.740 -7.394 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.225 -3.525 -7.005 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.826 -4.502 -5.484 1.00 0.00 C ATOM 456 CZ2 TRP A 33 10.138 -2.557 -7.416 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.731 -3.541 -5.892 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.384 -2.579 -6.850 1.00 0.00 C ATOM 0 H TRP A 33 8.037 -7.449 -2.665 1.00 0.00 H new ATOM 0 HA TRP A 33 6.656 -5.481 -3.913 1.00 0.00 H new ATOM 0 HB2 TRP A 33 9.072 -6.493 -4.239 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.323 -7.414 -5.527 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.430 -5.214 -6.813 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.417 -3.188 -8.083 1.00 0.00 H new ATOM 0 HE3 TRP A 33 11.103 -5.239 -4.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.872 -1.815 -8.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.723 -3.531 -5.465 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.114 -1.841 -7.147 1.00 0.00 H new ATOM 469 N GLU A 34 6.069 -8.267 -5.604 1.00 0.00 N ATOM 470 CA GLU A 34 5.091 -8.930 -6.457 1.00 0.00 C ATOM 471 C GLU A 34 3.801 -9.211 -5.691 1.00 0.00 C ATOM 472 O GLU A 34 2.704 -8.925 -6.172 1.00 0.00 O ATOM 473 CB GLU A 34 5.664 -10.238 -7.008 1.00 0.00 C ATOM 474 CG GLU A 34 4.681 -11.023 -7.859 1.00 0.00 C ATOM 475 CD GLU A 34 5.217 -12.383 -8.265 1.00 0.00 C ATOM 476 OE1 GLU A 34 5.221 -13.296 -7.413 1.00 0.00 O ATOM 477 OE2 GLU A 34 5.632 -12.533 -9.433 1.00 0.00 O ATOM 0 H GLU A 34 6.942 -8.781 -5.484 1.00 0.00 H new ATOM 0 HA GLU A 34 4.862 -8.263 -7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.549 -10.015 -7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.989 -10.862 -6.175 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.751 -11.154 -7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.442 -10.449 -8.754 1.00 0.00 H new ATOM 484 N LEU A 35 3.942 -9.773 -4.495 1.00 0.00 N ATOM 485 CA LEU A 35 2.789 -10.094 -3.661 1.00 0.00 C ATOM 486 C LEU A 35 1.904 -8.868 -3.460 1.00 0.00 C ATOM 487 O LEU A 35 0.697 -8.988 -3.252 1.00 0.00 O ATOM 488 CB LEU A 35 3.250 -10.632 -2.305 1.00 0.00 C ATOM 489 CG LEU A 35 2.188 -10.681 -1.206 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.089 -11.667 -1.569 1.00 0.00 C ATOM 491 CD2 LEU A 35 2.819 -11.050 0.129 1.00 0.00 C ATOM 0 H LEU A 35 4.842 -10.015 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 35 2.205 -10.861 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.641 -11.639 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.078 -10.016 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 35 1.743 -9.691 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.342 -11.688 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.618 -11.359 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.518 -12.662 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.049 -11.080 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.292 -12.029 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.569 -10.305 0.395 1.00 0.00 H new ATOM 503 N PHE A 36 2.512 -7.689 -3.526 1.00 0.00 N ATOM 504 CA PHE A 36 1.780 -6.440 -3.352 1.00 0.00 C ATOM 505 C PHE A 36 1.365 -5.860 -4.702 1.00 0.00 C ATOM 506 O PHE A 36 0.339 -5.189 -4.813 1.00 0.00 O ATOM 507 CB PHE A 36 2.633 -5.425 -2.589 1.00 0.00 C ATOM 508 CG PHE A 36 2.470 -5.504 -1.099 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.926 -6.608 -0.397 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.861 -4.475 -0.399 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.777 -6.685 0.975 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.709 -4.546 0.973 1.00 0.00 C ATOM 513 CZ PHE A 36 2.168 -5.652 1.661 1.00 0.00 C ATOM 0 H PHE A 36 3.510 -7.572 -3.699 1.00 0.00 H new ATOM 0 HA PHE A 36 0.880 -6.653 -2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.682 -5.582 -2.840 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.372 -4.420 -2.922 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.404 -7.418 -0.928 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.501 -3.607 -0.932 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.136 -7.552 1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.232 -3.737 1.506 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.051 -5.709 2.733 1.00 0.00 H new ATOM 523 N LEU A 37 2.171 -6.125 -5.725 1.00 0.00 N ATOM 524 CA LEU A 37 1.889 -5.630 -7.068 1.00 0.00 C ATOM 525 C LEU A 37 0.403 -5.745 -7.390 1.00 0.00 C ATOM 526 O LEU A 37 -0.149 -4.920 -8.118 1.00 0.00 O ATOM 527 CB LEU A 37 2.709 -6.406 -8.101 1.00 0.00 C ATOM 528 CG LEU A 37 4.156 -5.951 -8.288 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.905 -6.912 -9.198 1.00 0.00 C ATOM 530 CD2 LEU A 37 4.203 -4.537 -8.849 1.00 0.00 C ATOM 0 H LEU A 37 3.024 -6.679 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 37 2.169 -4.577 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.714 -7.458 -7.815 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.201 -6.339 -9.063 1.00 0.00 H new ATOM 0 HG LEU A 37 4.644 -5.950 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.933 -6.571 -9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.902 -7.908 -8.756 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.417 -6.946 -10.172 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.241 -4.230 -8.975 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.697 -4.511 -9.814 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.704 -3.855 -8.160 1.00 0.00 H new ATOM 542 N GLN A 38 -0.238 -6.773 -6.843 1.00 0.00 N ATOM 543 CA GLN A 38 -1.661 -6.994 -7.072 1.00 0.00 C ATOM 544 C GLN A 38 -2.469 -5.748 -6.726 1.00 0.00 C ATOM 545 O GLN A 38 -3.371 -5.356 -7.465 1.00 0.00 O ATOM 546 CB GLN A 38 -2.153 -8.182 -6.242 1.00 0.00 C ATOM 547 CG GLN A 38 -1.433 -8.336 -4.913 1.00 0.00 C ATOM 548 CD GLN A 38 -2.166 -9.253 -3.954 1.00 0.00 C ATOM 549 OE1 GLN A 38 -3.158 -8.861 -3.338 1.00 0.00 O ATOM 550 NE2 GLN A 38 -1.682 -10.482 -3.823 1.00 0.00 N ATOM 0 H GLN A 38 0.205 -7.465 -6.239 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.803 -7.214 -8.130 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.221 -8.067 -6.056 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.027 -9.096 -6.822 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.431 -8.728 -5.090 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.315 -7.355 -4.453 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.858 -10.765 -4.353 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.135 -11.144 -3.192 1.00 0.00 H new ATOM 559 N ALA A 39 -2.138 -5.128 -5.597 1.00 0.00 N ATOM 560 CA ALA A 39 -2.831 -3.925 -5.155 1.00 0.00 C ATOM 561 C ALA A 39 -2.501 -2.739 -6.055 1.00 0.00 C ATOM 562 O ALA A 39 -3.383 -1.967 -6.429 1.00 0.00 O ATOM 563 CB ALA A 39 -2.472 -3.610 -3.710 1.00 0.00 C ATOM 0 H ALA A 39 -1.394 -5.440 -4.973 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.903 -4.109 -5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.997 -2.709 -3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.765 -4.444 -3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.397 -3.451 -3.629 1.00 0.00 H new ATOM 569 N GLY A 40 -1.224 -2.600 -6.398 1.00 0.00 N ATOM 570 CA GLY A 40 -0.801 -1.504 -7.250 1.00 0.00 C ATOM 571 C GLY A 40 0.629 -1.662 -7.729 1.00 0.00 C ATOM 572 O GLY A 40 1.318 -2.624 -7.389 1.00 0.00 O ATOM 0 H GLY A 40 -0.476 -3.226 -6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.465 -1.441 -8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.897 -0.565 -6.704 1.00 0.00 H new ATOM 576 N PRO A 41 1.095 -0.700 -8.540 1.00 0.00 N ATOM 577 CA PRO A 41 2.456 -0.714 -9.084 1.00 0.00 C ATOM 578 C PRO A 41 3.511 -0.460 -8.014 1.00 0.00 C ATOM 579 O PRO A 41 3.976 0.667 -7.841 1.00 0.00 O ATOM 580 CB PRO A 41 2.442 0.428 -10.104 1.00 0.00 C ATOM 581 CG PRO A 41 1.373 1.349 -9.626 1.00 0.00 C ATOM 582 CD PRO A 41 0.329 0.476 -8.986 1.00 0.00 C ATOM 0 HA PRO A 41 2.714 -1.683 -9.512 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.408 0.931 -10.148 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.228 0.060 -11.107 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.770 2.070 -8.911 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.951 1.919 -10.453 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.158 0.979 -8.151 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.454 0.201 -9.693 1.00 0.00 H new ATOM 590 N VAL A 42 3.887 -1.514 -7.297 1.00 0.00 N ATOM 591 CA VAL A 42 4.890 -1.405 -6.244 1.00 0.00 C ATOM 592 C VAL A 42 6.170 -0.766 -6.769 1.00 0.00 C ATOM 593 O VAL A 42 6.687 -1.154 -7.816 1.00 0.00 O ATOM 594 CB VAL A 42 5.226 -2.784 -5.644 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.365 -2.667 -4.643 1.00 0.00 C ATOM 596 CG2 VAL A 42 3.994 -3.396 -4.994 1.00 0.00 C ATOM 0 H VAL A 42 3.512 -2.454 -7.426 1.00 0.00 H new ATOM 0 HA VAL A 42 4.464 -0.772 -5.465 1.00 0.00 H new ATOM 0 HB VAL A 42 5.549 -3.443 -6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.589 -3.650 -4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.250 -2.274 -5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.074 -1.993 -3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.249 -4.370 -4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.639 -2.741 -4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.210 -3.517 -5.742 1.00 0.00 H new ATOM 606 N VAL A 43 6.678 0.218 -6.033 1.00 0.00 N ATOM 607 CA VAL A 43 7.900 0.911 -6.423 1.00 0.00 C ATOM 608 C VAL A 43 9.135 0.188 -5.896 1.00 0.00 C ATOM 609 O VAL A 43 10.052 -0.127 -6.653 1.00 0.00 O ATOM 610 CB VAL A 43 7.910 2.363 -5.907 1.00 0.00 C ATOM 611 CG1 VAL A 43 8.936 3.191 -6.665 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.524 2.979 -6.024 1.00 0.00 C ATOM 0 H VAL A 43 6.262 0.553 -5.164 1.00 0.00 H new ATOM 0 HA VAL A 43 7.925 0.919 -7.513 1.00 0.00 H new ATOM 0 HB VAL A 43 8.191 2.355 -4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.929 4.213 -6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.927 2.759 -6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.688 3.195 -7.726 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.549 4.004 -5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.212 2.977 -7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.816 2.398 -5.432 1.00 0.00 H new ATOM 622 N ASN A 44 9.150 -0.073 -4.593 1.00 0.00 N ATOM 623 CA ASN A 44 10.272 -0.760 -3.964 1.00 0.00 C ATOM 624 C ASN A 44 9.860 -1.362 -2.624 1.00 0.00 C ATOM 625 O ASN A 44 8.855 -0.963 -2.034 1.00 0.00 O ATOM 626 CB ASN A 44 11.441 0.207 -3.763 1.00 0.00 C ATOM 627 CG ASN A 44 12.422 -0.282 -2.715 1.00 0.00 C ATOM 628 OD1 ASN A 44 13.218 -1.187 -2.968 1.00 0.00 O ATOM 629 ND2 ASN A 44 12.370 0.316 -1.531 1.00 0.00 N ATOM 0 H ASN A 44 8.398 0.181 -3.952 1.00 0.00 H new ATOM 0 HA ASN A 44 10.587 -1.568 -4.624 1.00 0.00 H new ATOM 0 HB2 ASN A 44 11.963 0.343 -4.710 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.055 1.183 -3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.006 0.030 -0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.694 1.062 -1.366 1.00 0.00 H new ATOM 636 N THR A 45 10.643 -2.325 -2.148 1.00 0.00 N ATOM 637 CA THR A 45 10.360 -2.983 -0.879 1.00 0.00 C ATOM 638 C THR A 45 11.407 -2.627 0.170 1.00 0.00 C ATOM 639 O THR A 45 12.589 -2.482 -0.142 1.00 0.00 O ATOM 640 CB THR A 45 10.310 -4.514 -1.038 1.00 0.00 C ATOM 641 OG1 THR A 45 11.540 -4.989 -1.596 1.00 0.00 O ATOM 642 CG2 THR A 45 9.150 -4.927 -1.932 1.00 0.00 C ATOM 0 H THR A 45 11.479 -2.667 -2.623 1.00 0.00 H new ATOM 0 HA THR A 45 9.384 -2.627 -0.550 1.00 0.00 H new ATOM 0 HB THR A 45 10.164 -4.955 -0.052 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.447 -5.935 -1.835 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.135 -6.012 -2.030 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.212 -4.589 -1.491 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.271 -4.476 -2.917 1.00 0.00 H new ATOM 650 N HIS A 46 10.966 -2.487 1.417 1.00 0.00 N ATOM 651 CA HIS A 46 11.866 -2.149 2.513 1.00 0.00 C ATOM 652 C HIS A 46 11.711 -3.135 3.668 1.00 0.00 C ATOM 653 O HIS A 46 10.607 -3.349 4.169 1.00 0.00 O ATOM 654 CB HIS A 46 11.597 -0.726 3.002 1.00 0.00 C ATOM 655 CG HIS A 46 12.297 -0.390 4.283 1.00 0.00 C ATOM 656 ND1 HIS A 46 13.643 -0.615 4.486 1.00 0.00 N ATOM 657 CD2 HIS A 46 11.832 0.160 5.429 1.00 0.00 C ATOM 658 CE1 HIS A 46 13.974 -0.220 5.702 1.00 0.00 C ATOM 659 NE2 HIS A 46 12.893 0.254 6.295 1.00 0.00 N ATOM 0 H HIS A 46 9.991 -2.603 1.693 1.00 0.00 H new ATOM 0 HA HIS A 46 12.889 -2.210 2.142 1.00 0.00 H new ATOM 0 HB2 HIS A 46 11.909 -0.021 2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.524 -0.595 3.139 1.00 0.00 H new ATOM 0 HD2 HIS A 46 10.816 0.468 5.626 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.961 -0.275 6.138 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.853 0.629 7.243 1.00 0.00 H new ATOM 667 N MET A 47 12.823 -3.732 4.084 1.00 0.00 N ATOM 668 CA MET A 47 12.809 -4.694 5.179 1.00 0.00 C ATOM 669 C MET A 47 14.050 -4.541 6.053 1.00 0.00 C ATOM 670 O MET A 47 15.161 -4.898 5.662 1.00 0.00 O ATOM 671 CB MET A 47 12.729 -6.121 4.632 1.00 0.00 C ATOM 672 CG MET A 47 11.311 -6.575 4.326 1.00 0.00 C ATOM 673 SD MET A 47 11.232 -8.299 3.802 1.00 0.00 S ATOM 674 CE MET A 47 11.181 -9.132 5.386 1.00 0.00 C ATOM 0 H MET A 47 13.745 -3.566 3.679 1.00 0.00 H new ATOM 0 HA MET A 47 11.929 -4.497 5.791 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.327 -6.187 3.723 1.00 0.00 H new ATOM 0 HB3 MET A 47 13.172 -6.804 5.356 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.691 -6.440 5.212 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.892 -5.942 3.544 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.130 -10.209 5.229 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.079 -8.890 5.954 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.302 -8.805 5.941 1.00 0.00 H new ATOM 684 N PRO A 48 13.859 -3.998 7.264 1.00 0.00 N ATOM 685 CA PRO A 48 14.951 -3.786 8.218 1.00 0.00 C ATOM 686 C PRO A 48 15.491 -5.096 8.782 1.00 0.00 C ATOM 687 O PRO A 48 14.766 -6.086 8.883 1.00 0.00 O ATOM 688 CB PRO A 48 14.299 -2.955 9.326 1.00 0.00 C ATOM 689 CG PRO A 48 12.850 -3.293 9.249 1.00 0.00 C ATOM 690 CD PRO A 48 12.561 -3.550 7.796 1.00 0.00 C ATOM 0 HA PRO A 48 15.810 -3.302 7.753 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.712 -3.204 10.303 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.466 -1.889 9.172 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.621 -4.171 9.853 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.238 -2.476 9.630 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.790 -4.310 7.668 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.209 -2.651 7.291 1.00 0.00 H new ATOM 851 N TYR A 59 8.974 -7.575 10.343 1.00 0.00 N ATOM 852 CA TYR A 59 8.165 -6.484 9.812 1.00 0.00 C ATOM 853 C TYR A 59 8.865 -5.809 8.636 1.00 0.00 C ATOM 854 O TYR A 59 10.090 -5.692 8.612 1.00 0.00 O ATOM 855 CB TYR A 59 7.877 -5.455 10.907 1.00 0.00 C ATOM 856 CG TYR A 59 9.055 -4.562 11.223 1.00 0.00 C ATOM 857 CD1 TYR A 59 10.162 -5.053 11.903 1.00 0.00 C ATOM 858 CD2 TYR A 59 9.061 -3.225 10.842 1.00 0.00 C ATOM 859 CE1 TYR A 59 11.240 -4.240 12.195 1.00 0.00 C ATOM 860 CE2 TYR A 59 10.135 -2.405 11.128 1.00 0.00 C ATOM 861 CZ TYR A 59 11.222 -2.917 11.806 1.00 0.00 C ATOM 862 OH TYR A 59 12.295 -2.105 12.094 1.00 0.00 O ATOM 0 HA TYR A 59 7.223 -6.903 9.459 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.034 -4.836 10.599 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.574 -5.977 11.814 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.180 -6.089 12.209 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.211 -2.820 10.313 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.092 -4.638 12.725 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.124 -1.369 10.823 1.00 0.00 H new ATOM 0 HH TYR A 59 12.124 -1.203 11.750 1.00 0.00 H new ATOM 872 N GLY A 60 8.077 -5.366 7.661 1.00 0.00 N ATOM 873 CA GLY A 60 8.637 -4.708 6.495 1.00 0.00 C ATOM 874 C GLY A 60 7.800 -3.531 6.035 1.00 0.00 C ATOM 875 O GLY A 60 6.975 -3.015 6.789 1.00 0.00 O ATOM 0 H GLY A 60 7.061 -5.451 7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.646 -4.365 6.725 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.723 -5.428 5.682 1.00 0.00 H new ATOM 879 N PHE A 61 8.012 -3.105 4.795 1.00 0.00 N ATOM 880 CA PHE A 61 7.272 -1.980 4.236 1.00 0.00 C ATOM 881 C PHE A 61 7.260 -2.040 2.711 1.00 0.00 C ATOM 882 O PHE A 61 8.218 -2.501 2.089 1.00 0.00 O ATOM 883 CB PHE A 61 7.885 -0.657 4.701 1.00 0.00 C ATOM 884 CG PHE A 61 7.976 -0.530 6.195 1.00 0.00 C ATOM 885 CD1 PHE A 61 9.056 -1.057 6.884 1.00 0.00 C ATOM 886 CD2 PHE A 61 6.979 0.115 6.910 1.00 0.00 C ATOM 887 CE1 PHE A 61 9.142 -0.942 8.259 1.00 0.00 C ATOM 888 CE2 PHE A 61 7.060 0.233 8.284 1.00 0.00 C ATOM 889 CZ PHE A 61 8.142 -0.297 8.960 1.00 0.00 C ATOM 0 H PHE A 61 8.690 -3.522 4.158 1.00 0.00 H new ATOM 0 HA PHE A 61 6.244 -2.041 4.592 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.883 -0.559 4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.289 0.168 4.310 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.840 -1.564 6.341 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.130 0.530 6.387 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.990 -1.356 8.784 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.278 0.739 8.830 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.206 -0.207 10.034 1.00 0.00 H new ATOM 899 N VAL A 62 6.169 -1.570 2.115 1.00 0.00 N ATOM 900 CA VAL A 62 6.032 -1.570 0.663 1.00 0.00 C ATOM 901 C VAL A 62 5.636 -0.190 0.149 1.00 0.00 C ATOM 902 O VAL A 62 4.506 0.255 0.344 1.00 0.00 O ATOM 903 CB VAL A 62 4.984 -2.598 0.198 1.00 0.00 C ATOM 904 CG1 VAL A 62 4.886 -2.612 -1.320 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.322 -3.982 0.732 1.00 0.00 C ATOM 0 H VAL A 62 5.368 -1.185 2.615 1.00 0.00 H new ATOM 0 HA VAL A 62 7.005 -1.843 0.253 1.00 0.00 H new ATOM 0 HB VAL A 62 4.013 -2.307 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.141 -3.344 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.593 -1.624 -1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.854 -2.878 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.571 -4.696 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.302 -4.285 0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.335 -3.958 1.822 1.00 0.00 H new ATOM 915 N GLU A 63 6.576 0.483 -0.508 1.00 0.00 N ATOM 916 CA GLU A 63 6.325 1.813 -1.050 1.00 0.00 C ATOM 917 C GLU A 63 5.711 1.726 -2.444 1.00 0.00 C ATOM 918 O GLU A 63 6.361 1.289 -3.394 1.00 0.00 O ATOM 919 CB GLU A 63 7.624 2.620 -1.102 1.00 0.00 C ATOM 920 CG GLU A 63 7.477 3.966 -1.792 1.00 0.00 C ATOM 921 CD GLU A 63 8.792 4.487 -2.340 1.00 0.00 C ATOM 922 OE1 GLU A 63 9.147 4.121 -3.479 1.00 0.00 O ATOM 923 OE2 GLU A 63 9.464 5.262 -1.628 1.00 0.00 O ATOM 0 H GLU A 63 7.517 0.129 -0.677 1.00 0.00 H new ATOM 0 HA GLU A 63 5.618 2.318 -0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.984 2.780 -0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.384 2.036 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.758 3.876 -2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.070 4.690 -1.086 1.00 0.00 H new ATOM 930 N PHE A 64 4.455 2.143 -2.558 1.00 0.00 N ATOM 931 CA PHE A 64 3.752 2.111 -3.835 1.00 0.00 C ATOM 932 C PHE A 64 4.060 3.359 -4.657 1.00 0.00 C ATOM 933 O PHE A 64 4.635 4.324 -4.151 1.00 0.00 O ATOM 934 CB PHE A 64 2.243 1.996 -3.608 1.00 0.00 C ATOM 935 CG PHE A 64 1.776 0.587 -3.383 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.405 -0.213 -4.451 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.708 0.061 -2.102 1.00 0.00 C ATOM 938 CE1 PHE A 64 0.975 -1.511 -4.248 1.00 0.00 C ATOM 939 CE2 PHE A 64 1.279 -1.236 -1.893 1.00 0.00 C ATOM 940 CZ PHE A 64 0.911 -2.023 -2.967 1.00 0.00 C ATOM 0 H PHE A 64 3.903 2.507 -1.782 1.00 0.00 H new ATOM 0 HA PHE A 64 4.097 1.238 -4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.966 2.604 -2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.721 2.410 -4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.452 0.182 -5.455 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.993 0.672 -1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.689 -2.124 -5.090 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.231 -1.634 -0.890 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.574 -3.036 -2.805 1.00 0.00 H new ATOM 950 N LEU A 65 3.674 3.333 -5.928 1.00 0.00 N ATOM 951 CA LEU A 65 3.909 4.461 -6.822 1.00 0.00 C ATOM 952 C LEU A 65 3.081 5.671 -6.402 1.00 0.00 C ATOM 953 O LEU A 65 3.550 6.808 -6.458 1.00 0.00 O ATOM 954 CB LEU A 65 3.572 4.074 -8.263 1.00 0.00 C ATOM 955 CG LEU A 65 3.829 5.146 -9.324 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.306 5.198 -9.682 1.00 0.00 C ATOM 957 CD2 LEU A 65 2.986 4.882 -10.563 1.00 0.00 C ATOM 0 H LEU A 65 3.197 2.543 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 65 4.964 4.727 -6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.149 3.187 -8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.520 3.794 -8.306 1.00 0.00 H new ATOM 0 HG LEU A 65 3.542 6.114 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.470 5.966 -10.438 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.888 5.435 -8.791 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.620 4.230 -10.074 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.181 5.654 -11.307 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.242 3.906 -10.976 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.930 4.896 -10.294 1.00 0.00 H new ATOM 969 N SER A 66 1.847 5.419 -5.977 1.00 0.00 N ATOM 970 CA SER A 66 0.952 6.487 -5.548 1.00 0.00 C ATOM 971 C SER A 66 0.336 6.167 -4.190 1.00 0.00 C ATOM 972 O SER A 66 0.077 5.007 -3.872 1.00 0.00 O ATOM 973 CB SER A 66 -0.153 6.703 -6.584 1.00 0.00 C ATOM 974 OG SER A 66 -0.710 5.468 -7.000 1.00 0.00 O ATOM 0 H SER A 66 1.444 4.484 -5.921 1.00 0.00 H new ATOM 0 HA SER A 66 1.537 7.402 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.935 7.334 -6.161 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.251 7.232 -7.447 1.00 0.00 H new ATOM 0 HG SER A 66 -0.309 4.738 -6.484 1.00 0.00 H new ATOM 980 N GLU A 67 0.104 7.205 -3.392 1.00 0.00 N ATOM 981 CA GLU A 67 -0.481 7.035 -2.068 1.00 0.00 C ATOM 982 C GLU A 67 -1.828 6.323 -2.155 1.00 0.00 C ATOM 983 O GLU A 67 -2.275 5.699 -1.193 1.00 0.00 O ATOM 984 CB GLU A 67 -0.652 8.392 -1.383 1.00 0.00 C ATOM 985 CG GLU A 67 -0.731 8.304 0.132 1.00 0.00 C ATOM 986 CD GLU A 67 -1.336 9.546 0.758 1.00 0.00 C ATOM 987 OE1 GLU A 67 -0.854 10.658 0.458 1.00 0.00 O ATOM 988 OE2 GLU A 67 -2.293 9.405 1.548 1.00 0.00 O ATOM 0 H GLU A 67 0.312 8.172 -3.640 1.00 0.00 H new ATOM 0 HA GLU A 67 0.197 6.421 -1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.183 9.036 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.558 8.867 -1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.326 7.434 0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.269 8.149 0.536 1.00 0.00 H new ATOM 995 N GLU A 68 -2.469 6.423 -3.315 1.00 0.00 N ATOM 996 CA GLU A 68 -3.765 5.790 -3.528 1.00 0.00 C ATOM 997 C GLU A 68 -3.626 4.271 -3.586 1.00 0.00 C ATOM 998 O GLU A 68 -4.467 3.540 -3.062 1.00 0.00 O ATOM 999 CB GLU A 68 -4.403 6.304 -4.820 1.00 0.00 C ATOM 1000 CG GLU A 68 -4.753 7.782 -4.780 1.00 0.00 C ATOM 1001 CD GLU A 68 -5.932 8.127 -5.670 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -5.886 7.789 -6.871 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -6.899 8.734 -5.165 1.00 0.00 O ATOM 0 H GLU A 68 -2.112 6.936 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.408 6.047 -2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.719 6.123 -5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.308 5.730 -5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.981 8.070 -3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.886 8.365 -5.090 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.560 3.805 -4.226 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.310 2.374 -4.353 1.00 0.00 C ATOM 1012 C ASP A 69 -2.068 1.741 -2.986 1.00 0.00 C ATOM 1013 O ASP A 69 -2.431 0.589 -2.751 1.00 0.00 O ATOM 1014 CB ASP A 69 -1.107 2.123 -5.264 1.00 0.00 C ATOM 1015 CG ASP A 69 -1.442 2.315 -6.730 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -2.440 1.724 -7.192 1.00 0.00 O ATOM 1017 OD2 ASP A 69 -0.705 3.055 -7.416 1.00 0.00 O ATOM 0 H ASP A 69 -1.855 4.397 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.194 1.914 -4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.298 2.799 -4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.742 1.108 -5.108 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.452 2.503 -2.088 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.163 2.017 -0.744 1.00 0.00 C ATOM 1024 C ALA A 70 -2.443 1.621 -0.016 1.00 0.00 C ATOM 1025 O ALA A 70 -2.599 0.475 0.406 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.409 3.075 0.048 1.00 0.00 C ATOM 0 H ALA A 70 -1.144 3.459 -2.267 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.537 1.129 -0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.200 2.699 1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.529 3.307 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.016 3.978 0.119 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.356 2.575 0.128 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.623 2.326 0.805 1.00 0.00 C ATOM 1034 C ASP A 71 -5.318 1.098 0.223 1.00 0.00 C ATOM 1035 O ASP A 71 -5.947 0.327 0.947 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.537 3.546 0.689 1.00 0.00 C ATOM 1037 CG ASP A 71 -6.590 3.587 1.779 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -6.225 3.426 2.962 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -7.779 3.778 1.449 1.00 0.00 O ATOM 0 H ASP A 71 -3.242 3.529 -0.215 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.413 2.138 1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.935 4.453 0.736 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.027 3.538 -0.285 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.199 0.924 -1.089 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.818 -0.207 -1.769 1.00 0.00 C ATOM 1046 C TYR A 72 -5.253 -1.528 -1.254 1.00 0.00 C ATOM 1047 O TYR A 72 -5.973 -2.518 -1.133 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.602 -0.101 -3.280 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.487 -1.027 -4.084 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -6.170 -2.372 -4.228 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.640 -0.556 -4.701 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -6.975 -3.221 -4.962 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.451 -1.398 -5.436 1.00 0.00 C ATOM 1054 CZ TYR A 72 -8.115 -2.729 -5.564 1.00 0.00 C ATOM 1055 OH TYR A 72 -8.920 -3.571 -6.297 1.00 0.00 O ATOM 0 H TYR A 72 -4.679 1.552 -1.702 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.887 -0.184 -1.559 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.785 0.927 -3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.559 -0.322 -3.506 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.279 -2.760 -3.758 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.906 0.486 -4.604 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.714 -4.264 -5.064 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.344 -1.016 -5.908 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.682 -3.068 -6.653 1.00 0.00 H new ATOM 1065 N ALA A 73 -3.959 -1.532 -0.953 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.296 -2.729 -0.449 1.00 0.00 C ATOM 1067 C ALA A 73 -3.598 -2.941 1.031 1.00 0.00 C ATOM 1068 O ALA A 73 -3.598 -4.072 1.518 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.794 -2.635 -0.675 1.00 0.00 C ATOM 0 H ALA A 73 -3.349 -0.720 -1.049 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.682 -3.587 -0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.312 -3.535 -0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.592 -2.539 -1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.401 -1.764 -0.151 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.854 -1.847 1.741 1.00 0.00 N ATOM 1076 CA ILE A 74 -4.157 -1.915 3.165 1.00 0.00 C ATOM 1077 C ILE A 74 -5.575 -2.425 3.401 1.00 0.00 C ATOM 1078 O ILE A 74 -5.931 -2.810 4.515 1.00 0.00 O ATOM 1079 CB ILE A 74 -3.999 -0.540 3.840 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.625 0.054 3.522 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -4.194 -0.663 5.344 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.557 1.553 3.711 1.00 0.00 C ATOM 0 H ILE A 74 -3.858 -0.904 1.353 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.444 -2.612 3.607 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.763 0.131 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.877 -0.419 4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.364 -0.186 2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.079 0.317 5.807 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.193 -1.048 5.551 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.450 -1.347 5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.555 1.905 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.281 2.036 3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.787 1.800 4.748 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.381 -2.427 2.345 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.760 -2.893 2.435 1.00 0.00 C ATOM 1096 C LYS A 75 -7.858 -4.373 2.082 1.00 0.00 C ATOM 1097 O LYS A 75 -8.710 -5.091 2.607 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.657 -2.075 1.503 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.826 -2.691 0.125 1.00 0.00 C ATOM 1100 CD LYS A 75 -9.316 -1.669 -0.887 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.835 -1.619 -0.937 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.325 -0.781 -2.066 1.00 0.00 N ATOM 0 H LYS A 75 -6.103 -2.111 1.416 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.096 -2.760 3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.638 -1.962 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.238 -1.074 1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.875 -3.107 -0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.534 -3.518 0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.927 -0.684 -0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.926 -1.917 -1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.229 -2.630 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.216 -1.221 0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.365 -0.772 -2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.970 0.191 -1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.982 -1.175 -2.965 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.980 -4.825 1.192 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.967 -6.220 0.773 1.00 0.00 C ATOM 1118 C ILE A 76 -5.879 -7.003 1.500 1.00 0.00 C ATOM 1119 O ILE A 76 -6.109 -8.117 1.968 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.749 -6.350 -0.746 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.334 -5.904 -1.120 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.785 -5.531 -1.502 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -5.078 -5.893 -2.611 1.00 0.00 C ATOM 0 H ILE A 76 -6.269 -4.244 0.748 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.942 -6.635 1.029 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.866 -7.397 -1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.160 -4.904 -0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.614 -6.567 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.618 -5.633 -2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.784 -5.890 -1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.696 -4.482 -1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.056 -5.567 -2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.220 -6.897 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.774 -5.208 -3.095 1.00 0.00 H new ATOM 1135 N MET A 77 -4.693 -6.410 1.591 1.00 0.00 N ATOM 1136 CA MET A 77 -3.569 -7.051 2.264 1.00 0.00 C ATOM 1137 C MET A 77 -3.657 -6.856 3.775 1.00 0.00 C ATOM 1138 O MET A 77 -2.639 -6.816 4.465 1.00 0.00 O ATOM 1139 CB MET A 77 -2.246 -6.488 1.742 1.00 0.00 C ATOM 1140 CG MET A 77 -2.187 -6.381 0.227 1.00 0.00 C ATOM 1141 SD MET A 77 -2.454 -7.964 -0.593 1.00 0.00 S ATOM 1142 CE MET A 77 -0.831 -8.263 -1.289 1.00 0.00 C ATOM 0 H MET A 77 -4.486 -5.488 1.208 1.00 0.00 H new ATOM 0 HA MET A 77 -3.611 -8.119 2.050 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.085 -5.500 2.174 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.430 -7.123 2.085 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.939 -5.669 -0.112 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.216 -5.983 -0.068 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.714 -9.327 -1.495 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.723 -7.700 -2.216 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.067 -7.945 -0.580 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.879 -6.735 4.281 1.00 0.00 N ATOM 1153 CA ASP A 78 -5.100 -6.545 5.710 1.00 0.00 C ATOM 1154 C ASP A 78 -5.357 -7.880 6.402 1.00 0.00 C ATOM 1155 O ASP A 78 -6.148 -8.694 5.927 1.00 0.00 O ATOM 1156 CB ASP A 78 -6.279 -5.599 5.944 1.00 0.00 C ATOM 1157 CG ASP A 78 -7.607 -6.330 5.988 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -7.877 -7.127 5.066 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -8.376 -6.104 6.946 1.00 0.00 O ATOM 0 H ASP A 78 -5.732 -6.765 3.723 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.200 -6.103 6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.131 -5.063 6.882 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.305 -4.852 5.151 1.00 0.00 H new ATOM 1164 N MET A 79 -4.682 -8.097 7.526 1.00 0.00 N ATOM 1165 CA MET A 79 -4.838 -9.333 8.284 1.00 0.00 C ATOM 1166 C MET A 79 -4.795 -10.546 7.360 1.00 0.00 C ATOM 1167 O MET A 79 -5.575 -11.486 7.519 1.00 0.00 O ATOM 1168 CB MET A 79 -6.155 -9.317 9.063 1.00 0.00 C ATOM 1169 CG MET A 79 -6.069 -8.571 10.385 1.00 0.00 C ATOM 1170 SD MET A 79 -5.610 -6.840 10.177 1.00 0.00 S ATOM 1171 CE MET A 79 -7.190 -6.120 9.739 1.00 0.00 C ATOM 0 H MET A 79 -4.022 -7.433 7.932 1.00 0.00 H new ATOM 0 HA MET A 79 -4.009 -9.405 8.988 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.927 -8.858 8.446 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.467 -10.344 9.254 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.031 -8.629 10.894 1.00 0.00 H new ATOM 0 HG3 MET A 79 -5.338 -9.062 11.028 1.00 0.00 H new ATOM 0 HE1 MET A 79 -7.038 -5.326 9.007 1.00 0.00 H new ATOM 0 HE2 MET A 79 -7.834 -6.889 9.312 1.00 0.00 H new ATOM 0 HE3 MET A 79 -7.661 -5.706 10.631 1.00 0.00 H new ATOM 1181 N ILE A 80 -3.882 -10.518 6.396 1.00 0.00 N ATOM 1182 CA ILE A 80 -3.739 -11.615 5.448 1.00 0.00 C ATOM 1183 C ILE A 80 -3.122 -12.840 6.114 1.00 0.00 C ATOM 1184 O ILE A 80 -2.475 -12.735 7.156 1.00 0.00 O ATOM 1185 CB ILE A 80 -2.870 -11.209 4.242 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -3.703 -10.424 3.227 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.256 -12.440 3.593 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -3.112 -10.419 1.835 1.00 0.00 C ATOM 0 H ILE A 80 -3.230 -9.747 6.251 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.741 -11.860 5.097 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.062 -10.568 4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.706 -10.849 3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.807 -9.395 3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.645 -12.137 2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.633 -12.962 4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.049 -13.105 3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.755 -9.844 1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.121 -9.966 1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.033 -11.443 1.469 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.325 -14.004 5.505 1.00 0.00 N ATOM 1201 CA LYS A 81 -2.786 -15.250 6.036 1.00 0.00 C ATOM 1202 C LYS A 81 -1.686 -15.797 5.132 1.00 0.00 C ATOM 1203 O LYS A 81 -1.953 -16.571 4.212 1.00 0.00 O ATOM 1204 CB LYS A 81 -3.901 -16.288 6.186 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.585 -16.255 7.541 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.130 -17.620 7.925 1.00 0.00 C ATOM 1207 CE LYS A 81 -5.774 -17.597 9.303 1.00 0.00 C ATOM 1208 NZ LYS A 81 -7.215 -17.224 9.236 1.00 0.00 N ATOM 0 H LYS A 81 -3.859 -14.110 4.643 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.356 -15.042 7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.646 -16.123 5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.485 -17.282 6.023 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.877 -15.919 8.299 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.399 -15.530 7.521 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.863 -17.941 7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.322 -18.352 7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.674 -18.578 9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.245 -16.888 9.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.617 -17.220 10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.309 -16.277 8.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.725 -17.915 8.650 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.450 -15.391 5.400 1.00 0.00 N ATOM 1223 CA LEU A 82 0.691 -15.842 4.611 1.00 0.00 C ATOM 1224 C LEU A 82 1.506 -16.879 5.377 1.00 0.00 C ATOM 1225 O LEU A 82 1.582 -16.841 6.605 1.00 0.00 O ATOM 1226 CB LEU A 82 1.579 -14.654 4.237 1.00 0.00 C ATOM 1227 CG LEU A 82 2.680 -14.934 3.214 1.00 0.00 C ATOM 1228 CD1 LEU A 82 2.082 -15.138 1.830 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.694 -13.800 3.197 1.00 0.00 C ATOM 0 H LEU A 82 -0.212 -14.751 6.157 1.00 0.00 H new ATOM 0 HA LEU A 82 0.312 -16.305 3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.943 -13.859 3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.044 -14.273 5.146 1.00 0.00 H new ATOM 0 HG LEU A 82 3.195 -15.850 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.880 -15.336 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.395 -15.984 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.542 -14.240 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.470 -14.017 2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.194 -12.869 2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.146 -13.701 4.184 1.00 0.00 H new ATOM 1241 N TYR A 83 2.115 -17.804 4.643 1.00 0.00 N ATOM 1242 CA TYR A 83 2.925 -18.852 5.252 1.00 0.00 C ATOM 1243 C TYR A 83 2.531 -19.067 6.711 1.00 0.00 C ATOM 1244 O TYR A 83 3.369 -18.998 7.609 1.00 0.00 O ATOM 1245 CB TYR A 83 4.410 -18.497 5.161 1.00 0.00 C ATOM 1246 CG TYR A 83 4.868 -18.166 3.758 1.00 0.00 C ATOM 1247 CD1 TYR A 83 4.491 -18.955 2.678 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.677 -17.063 3.513 1.00 0.00 C ATOM 1249 CE1 TYR A 83 4.908 -18.656 1.396 1.00 0.00 C ATOM 1250 CE2 TYR A 83 6.097 -16.756 2.233 1.00 0.00 C ATOM 1251 CZ TYR A 83 5.710 -17.556 1.178 1.00 0.00 C ATOM 1252 OH TYR A 83 6.126 -17.254 -0.098 1.00 0.00 O ATOM 0 H TYR A 83 2.063 -17.849 3.625 1.00 0.00 H new ATOM 0 HA TYR A 83 2.745 -19.778 4.705 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.612 -17.645 5.811 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.999 -19.333 5.539 1.00 0.00 H new ATOM 0 HD1 TYR A 83 3.861 -19.817 2.844 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.983 -16.435 4.337 1.00 0.00 H new ATOM 0 HE1 TYR A 83 4.607 -19.281 0.568 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.725 -15.895 2.059 1.00 0.00 H new ATOM 0 HH TYR A 83 6.683 -16.448 -0.078 1.00 0.00 H new ATOM 1262 N GLY A 84 1.247 -19.327 6.938 1.00 0.00 N ATOM 1263 CA GLY A 84 0.763 -19.548 8.288 1.00 0.00 C ATOM 1264 C GLY A 84 1.153 -18.431 9.234 1.00 0.00 C ATOM 1265 O GLY A 84 1.899 -18.648 10.190 1.00 0.00 O ATOM 0 H GLY A 84 0.534 -19.388 6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.323 -19.642 8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.159 -20.492 8.663 1.00 0.00 H new ATOM 1269 N LYS A 85 0.650 -17.230 8.969 1.00 0.00 N ATOM 1270 CA LYS A 85 0.950 -16.073 9.803 1.00 0.00 C ATOM 1271 C LYS A 85 0.067 -14.887 9.427 1.00 0.00 C ATOM 1272 O LYS A 85 0.176 -14.321 8.339 1.00 0.00 O ATOM 1273 CB LYS A 85 2.425 -15.687 9.665 1.00 0.00 C ATOM 1274 CG LYS A 85 3.329 -16.373 10.675 1.00 0.00 C ATOM 1275 CD LYS A 85 4.555 -15.531 10.988 1.00 0.00 C ATOM 1276 CE LYS A 85 4.254 -14.479 12.044 1.00 0.00 C ATOM 1277 NZ LYS A 85 4.008 -15.089 13.380 1.00 0.00 N ATOM 0 H LYS A 85 0.032 -17.033 8.182 1.00 0.00 H new ATOM 0 HA LYS A 85 0.746 -16.342 10.839 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.764 -15.934 8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.522 -14.607 9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.773 -16.563 11.593 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.642 -17.342 10.286 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.362 -16.176 11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.906 -15.044 10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.090 -13.782 12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.381 -13.901 11.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.142 -14.370 14.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.034 -15.452 13.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.676 -15.872 13.533 1.00 0.00 H new ATOM 1291 N PRO A 86 -0.829 -14.500 10.348 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.746 -13.377 10.136 1.00 0.00 C ATOM 1293 C PRO A 86 -1.026 -12.033 10.129 1.00 0.00 C ATOM 1294 O PRO A 86 -0.987 -11.334 11.142 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.699 -13.467 11.330 1.00 0.00 C ATOM 1296 CG PRO A 86 -1.916 -14.165 12.388 1.00 0.00 C ATOM 1297 CD PRO A 86 -1.014 -15.128 11.666 1.00 0.00 C ATOM 0 HA PRO A 86 -2.245 -13.436 9.169 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.015 -12.477 11.660 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.602 -14.022 11.075 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.337 -13.455 12.978 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.575 -14.690 13.079 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.065 -15.257 12.186 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.467 -16.116 11.580 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.458 -11.677 8.982 1.00 0.00 N ATOM 1306 CA ILE A 87 0.260 -10.416 8.844 1.00 0.00 C ATOM 1307 C ILE A 87 -0.637 -9.232 9.193 1.00 0.00 C ATOM 1308 O ILE A 87 -1.818 -9.403 9.496 1.00 0.00 O ATOM 1309 CB ILE A 87 0.803 -10.230 7.415 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.352 -10.100 6.420 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.706 -11.394 7.036 1.00 0.00 C ATOM 1312 CD1 ILE A 87 0.080 -9.622 5.051 1.00 0.00 C ATOM 0 H ILE A 87 -0.481 -12.244 8.135 1.00 0.00 H new ATOM 0 HA ILE A 87 1.098 -10.452 9.540 1.00 0.00 H new ATOM 0 HB ILE A 87 1.391 -9.313 7.382 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.845 -11.067 6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.091 -9.406 6.822 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.082 -11.248 6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.545 -11.445 7.731 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.139 -12.324 7.082 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.790 -9.553 4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.546 -8.641 5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.796 -10.327 4.629 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.068 -8.032 9.146 1.00 0.00 N ATOM 1325 CA ARG A 88 -0.815 -6.820 9.457 1.00 0.00 C ATOM 1326 C ARG A 88 -0.371 -5.664 8.566 1.00 0.00 C ATOM 1327 O ARG A 88 0.822 -5.382 8.445 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.630 -6.444 10.928 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.380 -5.185 11.334 1.00 0.00 C ATOM 1330 CD ARG A 88 -2.836 -5.484 11.656 1.00 0.00 C ATOM 1331 NE ARG A 88 -3.457 -4.409 12.425 1.00 0.00 N ATOM 1332 CZ ARG A 88 -3.377 -4.311 13.748 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -2.706 -5.217 14.444 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -3.970 -3.304 14.377 1.00 0.00 N ATOM 0 H ARG A 88 0.908 -7.873 8.895 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.871 -7.016 9.269 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.965 -7.273 11.551 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.432 -6.304 11.128 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.898 -4.738 12.203 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.327 -4.453 10.528 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.389 -5.633 10.729 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.899 -6.416 12.218 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.981 -3.695 11.919 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.249 -5.993 13.965 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.647 -5.139 15.459 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.488 -2.604 13.845 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.908 -3.230 15.392 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.338 -4.998 7.942 1.00 0.00 N ATOM 1349 CA VAL A 89 -1.047 -3.872 7.062 1.00 0.00 C ATOM 1350 C VAL A 89 -1.833 -2.634 7.476 1.00 0.00 C ATOM 1351 O VAL A 89 -3.023 -2.715 7.780 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.373 -4.208 5.595 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -1.139 -2.997 4.705 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.545 -5.394 5.123 1.00 0.00 C ATOM 0 H VAL A 89 -2.330 -5.219 8.030 1.00 0.00 H new ATOM 0 HA VAL A 89 0.020 -3.667 7.151 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.426 -4.480 5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.375 -3.254 3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.779 -2.177 5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.095 -2.691 4.774 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.788 -5.617 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.515 -5.153 5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.767 -6.263 5.743 1.00 0.00 H new ATOM 1364 N ASN A 90 -1.161 -1.488 7.484 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.797 -0.231 7.861 1.00 0.00 C ATOM 1366 C ASN A 90 -1.066 0.956 7.240 1.00 0.00 C ATOM 1367 O ASN A 90 -0.088 0.786 6.512 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.827 -0.086 9.383 1.00 0.00 C ATOM 1369 CG ASN A 90 -2.441 -1.293 10.067 1.00 0.00 C ATOM 1370 OD1 ASN A 90 -1.736 -2.108 10.662 1.00 0.00 O ATOM 1371 ND2 ASN A 90 -3.761 -1.411 9.984 1.00 0.00 N ATOM 0 H ASN A 90 -0.176 -1.404 7.234 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.820 -0.243 7.484 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.812 0.059 9.751 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.394 0.806 9.649 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.231 -2.202 10.424 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.305 -0.711 9.480 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.548 2.159 7.533 1.00 0.00 N ATOM 1379 CA LYS A 91 -0.941 3.376 7.007 1.00 0.00 C ATOM 1380 C LYS A 91 0.382 3.671 7.707 1.00 0.00 C ATOM 1381 O LYS A 91 0.416 3.922 8.911 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.894 4.561 7.176 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.801 4.787 5.979 1.00 0.00 C ATOM 1384 CD LYS A 91 -2.195 5.778 4.999 1.00 0.00 C ATOM 1385 CE LYS A 91 -1.149 5.118 4.115 1.00 0.00 C ATOM 1386 NZ LYS A 91 0.219 5.233 4.693 1.00 0.00 N ATOM 0 H LYS A 91 -2.358 2.317 8.132 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.745 3.224 5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.509 4.399 8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.310 5.464 7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.981 3.838 5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.769 5.156 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.982 6.204 4.377 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.741 6.603 5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.399 4.066 3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.166 5.578 3.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.740 4.347 4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.724 6.019 4.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.150 5.413 5.715 1.00 0.00 H new ATOM 1400 N ALA A 92 1.470 3.640 6.943 1.00 0.00 N ATOM 1401 CA ALA A 92 2.794 3.908 7.490 1.00 0.00 C ATOM 1402 C ALA A 92 2.845 5.276 8.163 1.00 0.00 C ATOM 1403 O ALA A 92 1.920 6.078 8.030 1.00 0.00 O ATOM 1404 CB ALA A 92 3.846 3.818 6.394 1.00 0.00 C ATOM 0 H ALA A 92 1.460 3.432 5.944 1.00 0.00 H new ATOM 0 HA ALA A 92 3.006 3.152 8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.830 4.020 6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.836 2.818 5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.627 4.551 5.618 1.00 0.00 H new