USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=13 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 Single : A 17 THR OG1 : rot 22:sc= 0.228 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0706) USER MOD Single : A 28 SER OG : rot 180:sc=-0.00159 USER MOD Single : A 38 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.1!) USER MOD Single : A 44 ASN : amide:sc= -0.751 K(o=-0.75,f=-1.6) USER MOD Single : A 45 THR OG1 : rot -139:sc= 0.0138 USER MOD Single : A 46 HIS : no HD1:sc= -0.0199 X(o=-0.02,f=-0.45) USER MOD Single : A 47 MET CE :methyl -171:sc= 0 (180deg=-0.0659) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.824 USER MOD Single : A 66 SER OG : rot 180:sc= 0 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 77 MET CE :methyl 139:sc= -4.96! (180deg=-6.84!) USER MOD Single : A 79 MET CE :methyl -133:sc= -0.976 (180deg=-4.61!) USER MOD Single : A 81 LYS NZ :NH3+ 166:sc= -0.0176 (180deg=-0.175) USER MOD Single : A 83 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -3.35! C(o=-3.3!,f=-4.5!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 202 N THR A 17 3.350 4.490 1.483 1.00 0.00 N ATOM 203 CA THR A 17 3.976 3.275 1.991 1.00 0.00 C ATOM 204 C THR A 17 3.052 2.544 2.958 1.00 0.00 C ATOM 205 O THR A 17 2.220 3.160 3.624 1.00 0.00 O ATOM 206 CB THR A 17 5.306 3.584 2.704 1.00 0.00 C ATOM 207 OG1 THR A 17 6.084 4.493 1.917 1.00 0.00 O ATOM 208 CG2 THR A 17 6.099 2.309 2.947 1.00 0.00 C ATOM 0 HA THR A 17 4.174 2.637 1.129 1.00 0.00 H new ATOM 0 HB THR A 17 5.079 4.041 3.667 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.495 4.983 1.306 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.034 2.553 3.452 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.516 1.631 3.571 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.316 1.828 1.993 1.00 0.00 H new ATOM 216 N VAL A 18 3.204 1.225 3.032 1.00 0.00 N ATOM 217 CA VAL A 18 2.384 0.410 3.920 1.00 0.00 C ATOM 218 C VAL A 18 3.212 -0.152 5.070 1.00 0.00 C ATOM 219 O VAL A 18 4.404 -0.418 4.919 1.00 0.00 O ATOM 220 CB VAL A 18 1.723 -0.756 3.160 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.253 -0.300 1.787 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.685 -1.928 3.042 1.00 0.00 C ATOM 0 H VAL A 18 3.887 0.699 2.488 1.00 0.00 H new ATOM 0 HA VAL A 18 1.606 1.061 4.320 1.00 0.00 H new ATOM 0 HB VAL A 18 0.851 -1.087 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.789 -1.137 1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.527 0.505 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.106 0.059 1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.202 -2.743 2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.577 -1.613 2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.967 -2.269 4.038 1.00 0.00 H new ATOM 232 N TYR A 19 2.571 -0.332 6.220 1.00 0.00 N ATOM 233 CA TYR A 19 3.248 -0.861 7.398 1.00 0.00 C ATOM 234 C TYR A 19 2.969 -2.351 7.564 1.00 0.00 C ATOM 235 O TYR A 19 1.894 -2.747 8.016 1.00 0.00 O ATOM 236 CB TYR A 19 2.803 -0.104 8.651 1.00 0.00 C ATOM 237 CG TYR A 19 3.707 -0.323 9.843 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.861 -1.586 10.401 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.407 0.734 10.412 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.685 -1.790 11.491 1.00 0.00 C ATOM 241 CE2 TYR A 19 5.234 0.539 11.501 1.00 0.00 C ATOM 242 CZ TYR A 19 5.370 -0.725 12.037 1.00 0.00 C ATOM 243 OH TYR A 19 6.192 -0.923 13.122 1.00 0.00 O ATOM 0 H TYR A 19 1.583 -0.119 6.361 1.00 0.00 H new ATOM 0 HA TYR A 19 4.321 -0.724 7.261 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.763 0.962 8.427 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.791 -0.413 8.912 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.327 -2.423 9.975 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.303 1.725 9.996 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.792 -2.778 11.913 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.771 1.372 11.931 1.00 0.00 H new ATOM 0 HH TYR A 19 6.600 -0.071 13.383 1.00 0.00 H new ATOM 253 N VAL A 20 3.945 -3.174 7.194 1.00 0.00 N ATOM 254 CA VAL A 20 3.806 -4.622 7.303 1.00 0.00 C ATOM 255 C VAL A 20 4.371 -5.130 8.625 1.00 0.00 C ATOM 256 O VAL A 20 5.571 -5.032 8.878 1.00 0.00 O ATOM 257 CB VAL A 20 4.518 -5.342 6.142 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.348 -6.849 6.265 1.00 0.00 C ATOM 259 CG2 VAL A 20 3.991 -4.845 4.805 1.00 0.00 C ATOM 0 H VAL A 20 4.840 -2.863 6.816 1.00 0.00 H new ATOM 0 HA VAL A 20 2.740 -4.843 7.259 1.00 0.00 H new ATOM 0 HB VAL A 20 5.583 -5.115 6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.857 -7.341 5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.777 -7.188 7.208 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.287 -7.099 6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.505 -5.364 3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.921 -5.041 4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.169 -3.773 4.719 1.00 0.00 H new ATOM 269 N GLY A 21 3.497 -5.675 9.466 1.00 0.00 N ATOM 270 CA GLY A 21 3.927 -6.191 10.752 1.00 0.00 C ATOM 271 C GLY A 21 3.374 -7.573 11.036 1.00 0.00 C ATOM 272 O GLY A 21 2.175 -7.735 11.264 1.00 0.00 O ATOM 0 H GLY A 21 2.499 -5.768 9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.016 -6.226 10.780 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.609 -5.507 11.539 1.00 0.00 H new ATOM 276 N GLY A 22 4.249 -8.574 11.021 1.00 0.00 N ATOM 277 CA GLY A 22 3.821 -9.937 11.279 1.00 0.00 C ATOM 278 C GLY A 22 4.161 -10.876 10.139 1.00 0.00 C ATOM 279 O GLY A 22 3.332 -11.690 9.727 1.00 0.00 O ATOM 0 H GLY A 22 5.246 -8.466 10.835 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.292 -10.296 12.194 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.744 -9.951 11.448 1.00 0.00 H new ATOM 283 N LEU A 23 5.381 -10.765 9.626 1.00 0.00 N ATOM 284 CA LEU A 23 5.828 -11.610 8.524 1.00 0.00 C ATOM 285 C LEU A 23 6.564 -12.841 9.046 1.00 0.00 C ATOM 286 O LEU A 23 7.127 -12.821 10.140 1.00 0.00 O ATOM 287 CB LEU A 23 6.738 -10.818 7.584 1.00 0.00 C ATOM 288 CG LEU A 23 6.099 -9.620 6.882 1.00 0.00 C ATOM 289 CD1 LEU A 23 7.157 -8.790 6.172 1.00 0.00 C ATOM 290 CD2 LEU A 23 5.034 -10.084 5.899 1.00 0.00 C ATOM 0 H LEU A 23 6.079 -10.098 9.955 1.00 0.00 H new ATOM 0 HA LEU A 23 4.948 -11.942 7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.596 -10.464 8.155 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.120 -11.498 6.823 1.00 0.00 H new ATOM 0 HG LEU A 23 5.622 -8.994 7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.683 -7.942 5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.883 -8.427 6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.664 -9.405 5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.590 -9.218 5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.488 -10.732 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.260 -10.635 6.434 1.00 0.00 H new ATOM 302 N ASP A 24 6.556 -13.908 8.255 1.00 0.00 N ATOM 303 CA ASP A 24 7.225 -15.146 8.635 1.00 0.00 C ATOM 304 C ASP A 24 8.594 -15.251 7.969 1.00 0.00 C ATOM 305 O ASP A 24 8.868 -14.569 6.982 1.00 0.00 O ATOM 306 CB ASP A 24 6.366 -16.353 8.254 1.00 0.00 C ATOM 307 CG ASP A 24 6.792 -17.617 8.975 1.00 0.00 C ATOM 308 OD1 ASP A 24 7.168 -17.525 10.163 1.00 0.00 O ATOM 309 OD2 ASP A 24 6.748 -18.698 8.352 1.00 0.00 O ATOM 0 H ASP A 24 6.093 -13.940 7.346 1.00 0.00 H new ATOM 0 HA ASP A 24 7.366 -15.136 9.716 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.322 -16.140 8.486 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.427 -16.514 7.178 1.00 0.00 H new ATOM 314 N GLU A 25 9.450 -16.108 8.518 1.00 0.00 N ATOM 315 CA GLU A 25 10.790 -16.299 7.978 1.00 0.00 C ATOM 316 C GLU A 25 10.749 -16.452 6.460 1.00 0.00 C ATOM 317 O GLU A 25 11.624 -15.956 5.751 1.00 0.00 O ATOM 318 CB GLU A 25 11.447 -17.529 8.608 1.00 0.00 C ATOM 319 CG GLU A 25 10.796 -18.841 8.203 1.00 0.00 C ATOM 320 CD GLU A 25 11.403 -19.429 6.943 1.00 0.00 C ATOM 321 OE1 GLU A 25 11.988 -18.659 6.152 1.00 0.00 O ATOM 322 OE2 GLU A 25 11.294 -20.657 6.749 1.00 0.00 O ATOM 0 H GLU A 25 9.239 -16.680 9.336 1.00 0.00 H new ATOM 0 HA GLU A 25 11.381 -15.416 8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.500 -17.553 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.410 -17.435 9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.894 -19.558 9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.729 -18.680 8.047 1.00 0.00 H new ATOM 329 N LYS A 26 9.726 -17.142 5.969 1.00 0.00 N ATOM 330 CA LYS A 26 9.567 -17.361 4.536 1.00 0.00 C ATOM 331 C LYS A 26 9.562 -16.036 3.781 1.00 0.00 C ATOM 332 O LYS A 26 10.316 -15.852 2.825 1.00 0.00 O ATOM 333 CB LYS A 26 8.271 -18.126 4.256 1.00 0.00 C ATOM 334 CG LYS A 26 8.373 -19.616 4.530 1.00 0.00 C ATOM 335 CD LYS A 26 7.306 -20.395 3.779 1.00 0.00 C ATOM 336 CE LYS A 26 7.727 -20.676 2.345 1.00 0.00 C ATOM 337 NZ LYS A 26 8.759 -21.746 2.268 1.00 0.00 N ATOM 0 H LYS A 26 8.993 -17.560 6.543 1.00 0.00 H new ATOM 0 HA LYS A 26 10.413 -17.954 4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.472 -17.707 4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.988 -17.975 3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.360 -19.974 4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.272 -19.798 5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.111 -21.336 4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.373 -19.831 3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.855 -20.971 1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.117 -19.763 1.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.859 -22.061 1.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.670 -21.375 2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.470 -22.550 2.861 1.00 0.00 H new ATOM 351 N VAL A 27 8.707 -15.116 4.216 1.00 0.00 N ATOM 352 CA VAL A 27 8.606 -13.807 3.582 1.00 0.00 C ATOM 353 C VAL A 27 9.976 -13.297 3.151 1.00 0.00 C ATOM 354 O VAL A 27 10.993 -13.627 3.762 1.00 0.00 O ATOM 355 CB VAL A 27 7.959 -12.775 4.526 1.00 0.00 C ATOM 356 CG1 VAL A 27 8.193 -11.362 4.013 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.473 -13.055 4.683 1.00 0.00 C ATOM 0 H VAL A 27 8.075 -15.253 5.004 1.00 0.00 H new ATOM 0 HA VAL A 27 7.975 -13.930 2.702 1.00 0.00 H new ATOM 0 HB VAL A 27 8.427 -12.862 5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.729 -10.647 4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.264 -11.168 3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.754 -11.258 3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.032 -12.317 5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.987 -12.997 3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.333 -14.052 5.100 1.00 0.00 H new ATOM 367 N SER A 28 9.996 -12.490 2.096 1.00 0.00 N ATOM 368 CA SER A 28 11.243 -11.936 1.580 1.00 0.00 C ATOM 369 C SER A 28 11.011 -10.561 0.961 1.00 0.00 C ATOM 370 O SER A 28 9.875 -10.172 0.694 1.00 0.00 O ATOM 371 CB SER A 28 11.854 -12.879 0.542 1.00 0.00 C ATOM 372 OG SER A 28 12.124 -14.151 1.105 1.00 0.00 O ATOM 0 H SER A 28 9.163 -12.205 1.581 1.00 0.00 H new ATOM 0 HA SER A 28 11.936 -11.828 2.414 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.172 -12.988 -0.301 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.776 -12.447 0.152 1.00 0.00 H new ATOM 0 HG SER A 28 12.512 -14.736 0.421 1.00 0.00 H new ATOM 378 N GLU A 29 12.099 -9.830 0.736 1.00 0.00 N ATOM 379 CA GLU A 29 12.014 -8.497 0.149 1.00 0.00 C ATOM 380 C GLU A 29 11.370 -8.551 -1.233 1.00 0.00 C ATOM 381 O GLU A 29 10.368 -7.889 -1.506 1.00 0.00 O ATOM 382 CB GLU A 29 13.406 -7.870 0.050 1.00 0.00 C ATOM 383 CG GLU A 29 13.776 -7.018 1.253 1.00 0.00 C ATOM 384 CD GLU A 29 15.266 -7.025 1.537 1.00 0.00 C ATOM 385 OE1 GLU A 29 15.753 -8.012 2.127 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.944 -6.043 1.168 1.00 0.00 O ATOM 0 H GLU A 29 13.048 -10.137 0.951 1.00 0.00 H new ATOM 0 HA GLU A 29 11.391 -7.881 0.798 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.145 -8.663 -0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.456 -7.256 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.447 -5.993 1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.241 -7.382 2.130 1.00 0.00 H new ATOM 393 N PRO A 30 11.958 -9.359 -2.129 1.00 0.00 N ATOM 394 CA PRO A 30 11.459 -9.519 -3.498 1.00 0.00 C ATOM 395 C PRO A 30 10.132 -10.269 -3.547 1.00 0.00 C ATOM 396 O PRO A 30 9.605 -10.549 -4.624 1.00 0.00 O ATOM 397 CB PRO A 30 12.559 -10.334 -4.183 1.00 0.00 C ATOM 398 CG PRO A 30 13.225 -11.077 -3.077 1.00 0.00 C ATOM 399 CD PRO A 30 13.155 -10.178 -1.873 1.00 0.00 C ATOM 0 HA PRO A 30 11.261 -8.559 -3.975 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.143 -11.017 -4.924 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.264 -9.687 -4.706 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.722 -12.025 -2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.259 -11.310 -3.331 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.061 -10.749 -0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.050 -9.563 -1.778 1.00 0.00 H new ATOM 407 N LEU A 31 9.596 -10.591 -2.375 1.00 0.00 N ATOM 408 CA LEU A 31 8.329 -11.308 -2.284 1.00 0.00 C ATOM 409 C LEU A 31 7.160 -10.335 -2.165 1.00 0.00 C ATOM 410 O LEU A 31 6.188 -10.420 -2.917 1.00 0.00 O ATOM 411 CB LEU A 31 8.342 -12.257 -1.084 1.00 0.00 C ATOM 412 CG LEU A 31 7.069 -13.074 -0.861 1.00 0.00 C ATOM 413 CD1 LEU A 31 6.855 -14.053 -2.004 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.135 -13.810 0.469 1.00 0.00 C ATOM 0 H LEU A 31 10.019 -10.367 -1.474 1.00 0.00 H new ATOM 0 HA LEU A 31 8.202 -11.889 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.177 -12.948 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.536 -11.672 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 31 6.221 -12.390 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.944 -14.625 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.762 -13.504 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.705 -14.733 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.221 -14.386 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.992 -14.483 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.239 -13.088 1.279 1.00 0.00 H new ATOM 426 N LEU A 32 7.261 -9.410 -1.217 1.00 0.00 N ATOM 427 CA LEU A 32 6.213 -8.419 -1.000 1.00 0.00 C ATOM 428 C LEU A 32 5.966 -7.603 -2.264 1.00 0.00 C ATOM 429 O LEU A 32 4.820 -7.368 -2.649 1.00 0.00 O ATOM 430 CB LEU A 32 6.594 -7.490 0.154 1.00 0.00 C ATOM 431 CG LEU A 32 7.175 -8.166 1.396 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.555 -7.127 2.441 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.185 -9.167 1.972 1.00 0.00 C ATOM 0 H LEU A 32 8.058 -9.326 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 32 5.294 -8.947 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.320 -6.765 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.707 -6.930 0.451 1.00 0.00 H new ATOM 0 HG LEU A 32 8.076 -8.705 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.967 -7.627 3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.301 -6.449 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.670 -6.560 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.616 -9.638 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.265 -8.651 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.963 -9.930 1.226 1.00 0.00 H new ATOM 445 N TRP A 33 7.046 -7.176 -2.908 1.00 0.00 N ATOM 446 CA TRP A 33 6.946 -6.388 -4.131 1.00 0.00 C ATOM 447 C TRP A 33 5.859 -6.940 -5.046 1.00 0.00 C ATOM 448 O TRP A 33 4.806 -6.325 -5.214 1.00 0.00 O ATOM 449 CB TRP A 33 8.288 -6.374 -4.864 1.00 0.00 C ATOM 450 CG TRP A 33 8.404 -5.268 -5.870 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.454 -4.876 -6.769 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.535 -4.416 -6.079 1.00 0.00 C ATOM 453 NE1 TRP A 33 7.926 -3.830 -7.525 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.200 -3.528 -7.121 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.797 -4.314 -5.488 1.00 0.00 C ATOM 456 CZ2 TRP A 33 10.082 -2.555 -7.582 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.671 -3.347 -5.946 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.311 -2.478 -6.984 1.00 0.00 C ATOM 0 H TRP A 33 8.002 -7.362 -2.604 1.00 0.00 H new ATOM 0 HA TRP A 33 6.680 -5.367 -3.856 1.00 0.00 H new ATOM 0 HB2 TRP A 33 9.092 -6.277 -4.134 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.429 -7.330 -5.368 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.476 -5.322 -6.871 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.411 -3.355 -8.267 1.00 0.00 H new ATOM 0 HE3 TRP A 33 11.084 -4.979 -4.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.807 -1.885 -8.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.649 -3.260 -5.496 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.017 -1.733 -7.319 1.00 0.00 H new ATOM 469 N GLU A 34 6.121 -8.102 -5.636 1.00 0.00 N ATOM 470 CA GLU A 34 5.163 -8.735 -6.535 1.00 0.00 C ATOM 471 C GLU A 34 3.887 -9.117 -5.789 1.00 0.00 C ATOM 472 O GLU A 34 2.779 -8.909 -6.285 1.00 0.00 O ATOM 473 CB GLU A 34 5.780 -9.977 -7.182 1.00 0.00 C ATOM 474 CG GLU A 34 4.792 -10.793 -7.998 1.00 0.00 C ATOM 475 CD GLU A 34 5.459 -11.913 -8.772 1.00 0.00 C ATOM 476 OE1 GLU A 34 6.023 -11.635 -9.851 1.00 0.00 O ATOM 477 OE2 GLU A 34 5.418 -13.068 -8.298 1.00 0.00 O ATOM 0 H GLU A 34 6.988 -8.624 -5.508 1.00 0.00 H new ATOM 0 HA GLU A 34 4.907 -8.018 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.604 -9.669 -7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.204 -10.610 -6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.038 -11.215 -7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.271 -10.136 -8.694 1.00 0.00 H new ATOM 484 N LEU A 35 4.052 -9.677 -4.596 1.00 0.00 N ATOM 485 CA LEU A 35 2.915 -10.089 -3.781 1.00 0.00 C ATOM 486 C LEU A 35 1.971 -8.917 -3.530 1.00 0.00 C ATOM 487 O LEU A 35 0.779 -9.108 -3.287 1.00 0.00 O ATOM 488 CB LEU A 35 3.399 -10.663 -2.448 1.00 0.00 C ATOM 489 CG LEU A 35 2.347 -10.773 -1.343 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.275 -11.782 -1.725 1.00 0.00 C ATOM 491 CD2 LEU A 35 2.999 -11.158 -0.023 1.00 0.00 C ATOM 0 H LEU A 35 4.962 -9.856 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 35 2.370 -10.860 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.810 -11.656 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.217 -10.041 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 35 1.873 -9.799 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.535 -11.847 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.788 -11.464 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.733 -12.760 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.236 -11.232 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.500 -12.120 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.729 -10.398 0.258 1.00 0.00 H new ATOM 503 N PHE A 36 2.512 -7.705 -3.592 1.00 0.00 N ATOM 504 CA PHE A 36 1.718 -6.502 -3.373 1.00 0.00 C ATOM 505 C PHE A 36 1.224 -5.927 -4.698 1.00 0.00 C ATOM 506 O PHE A 36 0.178 -5.280 -4.756 1.00 0.00 O ATOM 507 CB PHE A 36 2.541 -5.452 -2.624 1.00 0.00 C ATOM 508 CG PHE A 36 2.419 -5.548 -1.130 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.869 -6.672 -0.457 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.855 -4.515 -0.400 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.758 -6.764 0.918 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.741 -4.601 0.975 1.00 0.00 C ATOM 513 CZ PHE A 36 2.194 -5.727 1.635 1.00 0.00 C ATOM 0 H PHE A 36 3.497 -7.530 -3.792 1.00 0.00 H new ATOM 0 HA PHE A 36 0.852 -6.773 -2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.590 -5.558 -2.902 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.225 -4.459 -2.943 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.312 -7.486 -1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.500 -3.632 -0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.112 -7.646 1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.298 -3.789 1.533 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.107 -5.796 2.709 1.00 0.00 H new ATOM 523 N LEU A 37 1.985 -6.168 -5.760 1.00 0.00 N ATOM 524 CA LEU A 37 1.626 -5.675 -7.086 1.00 0.00 C ATOM 525 C LEU A 37 0.128 -5.818 -7.333 1.00 0.00 C ATOM 526 O LEU A 37 -0.444 -5.108 -8.160 1.00 0.00 O ATOM 527 CB LEU A 37 2.406 -6.433 -8.162 1.00 0.00 C ATOM 528 CG LEU A 37 3.846 -5.974 -8.394 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.546 -6.895 -9.382 1.00 0.00 C ATOM 530 CD2 LEU A 37 3.875 -4.536 -8.891 1.00 0.00 C ATOM 0 H LEU A 37 2.854 -6.701 -5.729 1.00 0.00 H new ATOM 0 HA LEU A 37 1.884 -4.617 -7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.421 -7.490 -7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.863 -6.349 -9.103 1.00 0.00 H new ATOM 0 HG LEU A 37 4.379 -6.019 -7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.570 -6.553 -9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.558 -7.911 -8.987 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.013 -6.881 -10.333 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.908 -4.227 -9.050 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.326 -4.464 -9.830 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.412 -3.885 -8.149 1.00 0.00 H new ATOM 542 N GLN A 38 -0.501 -6.737 -6.608 1.00 0.00 N ATOM 543 CA GLN A 38 -1.934 -6.971 -6.748 1.00 0.00 C ATOM 544 C GLN A 38 -2.721 -5.687 -6.505 1.00 0.00 C ATOM 545 O GLN A 38 -3.619 -5.344 -7.273 1.00 0.00 O ATOM 546 CB GLN A 38 -2.392 -8.057 -5.774 1.00 0.00 C ATOM 547 CG GLN A 38 -1.443 -9.241 -5.692 1.00 0.00 C ATOM 548 CD GLN A 38 -2.157 -10.540 -5.372 1.00 0.00 C ATOM 549 OE1 GLN A 38 -3.278 -10.774 -5.825 1.00 0.00 O ATOM 550 NE2 GLN A 38 -1.509 -11.394 -4.588 1.00 0.00 N ATOM 0 H GLN A 38 -0.042 -7.332 -5.918 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.125 -7.305 -7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.501 -7.620 -4.781 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.377 -8.412 -6.076 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.915 -9.345 -6.640 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.691 -9.047 -4.928 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.581 -11.159 -4.235 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.939 -12.285 -4.339 1.00 0.00 H new ATOM 559 N ALA A 39 -2.378 -4.983 -5.431 1.00 0.00 N ATOM 560 CA ALA A 39 -3.052 -3.737 -5.088 1.00 0.00 C ATOM 561 C ALA A 39 -2.662 -2.620 -6.050 1.00 0.00 C ATOM 562 O ALA A 39 -3.523 -1.959 -6.631 1.00 0.00 O ATOM 563 CB ALA A 39 -2.729 -3.340 -3.655 1.00 0.00 C ATOM 0 H ALA A 39 -1.638 -5.254 -4.784 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.127 -3.897 -5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.239 -2.408 -3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.064 -4.124 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.653 -3.203 -3.549 1.00 0.00 H new ATOM 569 N GLY A 40 -1.359 -2.412 -6.212 1.00 0.00 N ATOM 570 CA GLY A 40 -0.879 -1.373 -7.104 1.00 0.00 C ATOM 571 C GLY A 40 0.567 -1.580 -7.511 1.00 0.00 C ATOM 572 O GLY A 40 1.213 -2.549 -7.112 1.00 0.00 O ATOM 0 H GLY A 40 -0.627 -2.945 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.504 -1.347 -7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.981 -0.404 -6.616 1.00 0.00 H new ATOM 576 N PRO A 41 1.095 -0.655 -8.325 1.00 0.00 N ATOM 577 CA PRO A 41 2.479 -0.719 -8.805 1.00 0.00 C ATOM 578 C PRO A 41 3.490 -0.460 -7.694 1.00 0.00 C ATOM 579 O PRO A 41 3.790 0.689 -7.369 1.00 0.00 O ATOM 580 CB PRO A 41 2.542 0.392 -9.856 1.00 0.00 C ATOM 581 CG PRO A 41 1.477 1.354 -9.455 1.00 0.00 C ATOM 582 CD PRO A 41 0.382 0.526 -8.840 1.00 0.00 C ATOM 0 HA PRO A 41 2.731 -1.706 -9.193 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.522 0.869 -9.869 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.365 0.000 -10.858 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.860 2.086 -8.743 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.109 1.910 -10.317 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.130 1.065 -8.043 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.374 0.250 -9.575 1.00 0.00 H new ATOM 590 N VAL A 42 4.014 -1.535 -7.114 1.00 0.00 N ATOM 591 CA VAL A 42 4.993 -1.424 -6.039 1.00 0.00 C ATOM 592 C VAL A 42 6.308 -0.847 -6.552 1.00 0.00 C ATOM 593 O VAL A 42 6.919 -1.388 -7.474 1.00 0.00 O ATOM 594 CB VAL A 42 5.266 -2.791 -5.384 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.316 -2.660 -4.292 1.00 0.00 C ATOM 596 CG2 VAL A 42 3.979 -3.382 -4.830 1.00 0.00 C ATOM 0 H VAL A 42 3.777 -2.493 -7.371 1.00 0.00 H new ATOM 0 HA VAL A 42 4.570 -0.751 -5.293 1.00 0.00 H new ATOM 0 HB VAL A 42 5.652 -3.469 -6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.495 -3.636 -3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.244 -2.283 -4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.963 -1.967 -3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.190 -4.348 -4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.562 -2.708 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.261 -3.514 -5.640 1.00 0.00 H new ATOM 606 N VAL A 43 6.739 0.256 -5.948 1.00 0.00 N ATOM 607 CA VAL A 43 7.983 0.907 -6.343 1.00 0.00 C ATOM 608 C VAL A 43 9.193 0.145 -5.814 1.00 0.00 C ATOM 609 O VAL A 43 10.090 -0.220 -6.573 1.00 0.00 O ATOM 610 CB VAL A 43 8.042 2.360 -5.834 1.00 0.00 C ATOM 611 CG1 VAL A 43 9.050 3.167 -6.639 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.664 3.001 -5.893 1.00 0.00 C ATOM 0 H VAL A 43 6.246 0.717 -5.184 1.00 0.00 H new ATOM 0 HA VAL A 43 8.007 0.910 -7.433 1.00 0.00 H new ATOM 0 HB VAL A 43 8.368 2.350 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.078 4.191 -6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.038 2.717 -6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.757 3.172 -7.689 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.724 4.027 -5.530 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.306 3.001 -6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.972 2.435 -5.269 1.00 0.00 H new ATOM 622 N ASN A 44 9.211 -0.091 -4.506 1.00 0.00 N ATOM 623 CA ASN A 44 10.312 -0.810 -3.874 1.00 0.00 C ATOM 624 C ASN A 44 9.891 -1.367 -2.518 1.00 0.00 C ATOM 625 O ASN A 44 8.919 -0.905 -1.918 1.00 0.00 O ATOM 626 CB ASN A 44 11.521 0.112 -3.706 1.00 0.00 C ATOM 627 CG ASN A 44 12.495 -0.396 -2.661 1.00 0.00 C ATOM 628 OD1 ASN A 44 13.182 -1.396 -2.870 1.00 0.00 O ATOM 629 ND2 ASN A 44 12.558 0.293 -1.527 1.00 0.00 N ATOM 0 H ASN A 44 8.476 0.205 -3.863 1.00 0.00 H new ATOM 0 HA ASN A 44 10.586 -1.644 -4.520 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.036 0.209 -4.662 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.179 1.108 -3.426 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.195 -0.001 -0.786 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.970 1.116 -1.397 1.00 0.00 H new ATOM 636 N THR A 45 10.629 -2.363 -2.038 1.00 0.00 N ATOM 637 CA THR A 45 10.333 -2.984 -0.753 1.00 0.00 C ATOM 638 C THR A 45 11.422 -2.679 0.269 1.00 0.00 C ATOM 639 O THR A 45 12.608 -2.657 -0.060 1.00 0.00 O ATOM 640 CB THR A 45 10.185 -4.511 -0.888 1.00 0.00 C ATOM 641 OG1 THR A 45 11.391 -5.076 -1.416 1.00 0.00 O ATOM 642 CG2 THR A 45 9.015 -4.864 -1.794 1.00 0.00 C ATOM 0 H THR A 45 11.437 -2.757 -2.520 1.00 0.00 H new ATOM 0 HA THR A 45 9.388 -2.564 -0.409 1.00 0.00 H new ATOM 0 HB THR A 45 9.994 -4.924 0.103 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.168 -5.771 -2.070 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.931 -5.948 -1.874 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.094 -4.458 -1.374 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.180 -4.439 -2.784 1.00 0.00 H new ATOM 650 N HIS A 46 11.011 -2.444 1.511 1.00 0.00 N ATOM 651 CA HIS A 46 11.953 -2.140 2.583 1.00 0.00 C ATOM 652 C HIS A 46 11.789 -3.117 3.743 1.00 0.00 C ATOM 653 O HIS A 46 10.692 -3.284 4.277 1.00 0.00 O ATOM 654 CB HIS A 46 11.753 -0.707 3.076 1.00 0.00 C ATOM 655 CG HIS A 46 12.544 -0.380 4.305 1.00 0.00 C ATOM 656 ND1 HIS A 46 13.836 -0.818 4.507 1.00 0.00 N ATOM 657 CD2 HIS A 46 12.219 0.348 5.399 1.00 0.00 C ATOM 658 CE1 HIS A 46 14.271 -0.375 5.673 1.00 0.00 C ATOM 659 NE2 HIS A 46 13.309 0.335 6.235 1.00 0.00 N ATOM 0 H HIS A 46 10.033 -2.458 1.800 1.00 0.00 H new ATOM 0 HA HIS A 46 12.963 -2.241 2.185 1.00 0.00 H new ATOM 0 HB2 HIS A 46 12.031 -0.016 2.280 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.695 -0.547 3.282 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.278 0.846 5.581 1.00 0.00 H new ATOM 0 HE1 HIS A 46 15.247 -0.562 6.095 1.00 0.00 H new ATOM 0 HE2 HIS A 46 13.366 0.798 7.142 1.00 0.00 H new ATOM 667 N MET A 47 12.886 -3.761 4.128 1.00 0.00 N ATOM 668 CA MET A 47 12.863 -4.722 5.226 1.00 0.00 C ATOM 669 C MET A 47 14.133 -4.621 6.063 1.00 0.00 C ATOM 670 O MET A 47 15.226 -4.976 5.622 1.00 0.00 O ATOM 671 CB MET A 47 12.707 -6.144 4.684 1.00 0.00 C ATOM 672 CG MET A 47 11.258 -6.580 4.531 1.00 0.00 C ATOM 673 SD MET A 47 10.600 -7.337 6.029 1.00 0.00 S ATOM 674 CE MET A 47 10.866 -9.073 5.676 1.00 0.00 C ATOM 0 H MET A 47 13.802 -3.635 3.697 1.00 0.00 H new ATOM 0 HA MET A 47 12.010 -4.488 5.863 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.202 -6.211 3.715 1.00 0.00 H new ATOM 0 HB3 MET A 47 13.218 -6.837 5.352 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.648 -5.716 4.267 1.00 0.00 H new ATOM 0 HG3 MET A 47 11.181 -7.288 3.706 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.368 -9.679 6.433 1.00 0.00 H new ATOM 0 HE2 MET A 47 10.457 -9.311 4.694 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.935 -9.287 5.685 1.00 0.00 H new ATOM 684 N PRO A 48 13.990 -4.124 7.301 1.00 0.00 N ATOM 685 CA PRO A 48 15.116 -3.966 8.226 1.00 0.00 C ATOM 686 C PRO A 48 15.653 -5.304 8.720 1.00 0.00 C ATOM 687 O PRO A 48 14.890 -6.236 8.975 1.00 0.00 O ATOM 688 CB PRO A 48 14.512 -3.171 9.387 1.00 0.00 C ATOM 689 CG PRO A 48 13.056 -3.486 9.345 1.00 0.00 C ATOM 690 CD PRO A 48 12.716 -3.680 7.893 1.00 0.00 C ATOM 0 HA PRO A 48 15.967 -3.476 7.752 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.953 -3.464 10.340 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.689 -2.102 9.269 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.834 -4.384 9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.469 -2.676 9.778 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.930 -4.424 7.760 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.361 -2.756 7.436 1.00 0.00 H new ATOM 851 N TYR A 59 8.559 -7.900 10.269 1.00 0.00 N ATOM 852 CA TYR A 59 7.839 -6.723 9.796 1.00 0.00 C ATOM 853 C TYR A 59 8.600 -6.037 8.665 1.00 0.00 C ATOM 854 O TYR A 59 9.829 -5.981 8.673 1.00 0.00 O ATOM 855 CB TYR A 59 7.616 -5.739 10.946 1.00 0.00 C ATOM 856 CG TYR A 59 8.802 -4.840 11.212 1.00 0.00 C ATOM 857 CD1 TYR A 59 9.964 -5.340 11.787 1.00 0.00 C ATOM 858 CD2 TYR A 59 8.761 -3.489 10.888 1.00 0.00 C ATOM 859 CE1 TYR A 59 11.049 -4.522 12.032 1.00 0.00 C ATOM 860 CE2 TYR A 59 9.842 -2.664 11.129 1.00 0.00 C ATOM 861 CZ TYR A 59 10.984 -3.185 11.701 1.00 0.00 C ATOM 862 OH TYR A 59 12.063 -2.366 11.943 1.00 0.00 O ATOM 0 HA TYR A 59 6.872 -7.049 9.413 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.746 -5.122 10.721 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.384 -6.299 11.852 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.019 -6.387 12.047 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.869 -3.077 10.440 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.944 -4.927 12.481 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.794 -1.616 10.871 1.00 0.00 H new ATOM 0 HH TYR A 59 11.854 -1.454 11.651 1.00 0.00 H new ATOM 872 N GLY A 60 7.858 -5.515 7.693 1.00 0.00 N ATOM 873 CA GLY A 60 8.478 -4.838 6.569 1.00 0.00 C ATOM 874 C GLY A 60 7.676 -3.642 6.098 1.00 0.00 C ATOM 875 O GLY A 60 6.904 -3.063 6.863 1.00 0.00 O ATOM 0 H GLY A 60 6.839 -5.549 7.664 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.479 -4.512 6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.594 -5.541 5.744 1.00 0.00 H new ATOM 879 N PHE A 61 7.858 -3.269 4.835 1.00 0.00 N ATOM 880 CA PHE A 61 7.147 -2.131 4.264 1.00 0.00 C ATOM 881 C PHE A 61 7.137 -2.205 2.740 1.00 0.00 C ATOM 882 O PHE A 61 8.021 -2.809 2.131 1.00 0.00 O ATOM 883 CB PHE A 61 7.792 -0.819 4.718 1.00 0.00 C ATOM 884 CG PHE A 61 7.911 -0.694 6.210 1.00 0.00 C ATOM 885 CD1 PHE A 61 6.880 -0.146 6.956 1.00 0.00 C ATOM 886 CD2 PHE A 61 9.052 -1.126 6.866 1.00 0.00 C ATOM 887 CE1 PHE A 61 6.988 -0.029 8.329 1.00 0.00 C ATOM 888 CE2 PHE A 61 9.165 -1.012 8.238 1.00 0.00 C ATOM 889 CZ PHE A 61 8.131 -0.464 8.971 1.00 0.00 C ATOM 0 H PHE A 61 8.492 -3.738 4.188 1.00 0.00 H new ATOM 0 HA PHE A 61 6.117 -2.163 4.619 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.784 -0.739 4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.204 0.016 4.337 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.983 0.193 6.460 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.863 -1.557 6.298 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.179 0.402 8.900 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.061 -1.351 8.737 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.216 -0.376 10.044 1.00 0.00 H new ATOM 899 N VAL A 62 6.131 -1.588 2.130 1.00 0.00 N ATOM 900 CA VAL A 62 6.005 -1.583 0.677 1.00 0.00 C ATOM 901 C VAL A 62 5.667 -0.189 0.159 1.00 0.00 C ATOM 902 O VAL A 62 4.540 0.282 0.306 1.00 0.00 O ATOM 903 CB VAL A 62 4.921 -2.570 0.205 1.00 0.00 C ATOM 904 CG1 VAL A 62 4.815 -2.561 -1.313 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.218 -3.971 0.717 1.00 0.00 C ATOM 0 H VAL A 62 5.391 -1.085 2.619 1.00 0.00 H new ATOM 0 HA VAL A 62 6.969 -1.893 0.275 1.00 0.00 H new ATOM 0 HB VAL A 62 3.962 -2.253 0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.044 -3.264 -1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.553 -1.559 -1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.772 -2.853 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.442 -4.656 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.186 -4.300 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.239 -3.963 1.807 1.00 0.00 H new ATOM 915 N GLU A 63 6.653 0.466 -0.447 1.00 0.00 N ATOM 916 CA GLU A 63 6.460 1.806 -0.986 1.00 0.00 C ATOM 917 C GLU A 63 5.788 1.750 -2.356 1.00 0.00 C ATOM 918 O GLU A 63 6.393 1.322 -3.339 1.00 0.00 O ATOM 919 CB GLU A 63 7.801 2.536 -1.093 1.00 0.00 C ATOM 920 CG GLU A 63 7.700 3.903 -1.748 1.00 0.00 C ATOM 921 CD GLU A 63 9.057 4.508 -2.047 1.00 0.00 C ATOM 922 OE1 GLU A 63 9.880 4.609 -1.112 1.00 0.00 O ATOM 923 OE2 GLU A 63 9.297 4.882 -3.214 1.00 0.00 O ATOM 0 H GLU A 63 7.592 0.090 -0.576 1.00 0.00 H new ATOM 0 HA GLU A 63 5.810 2.354 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.223 2.651 -0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.496 1.920 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.133 3.817 -2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.143 4.575 -1.095 1.00 0.00 H new ATOM 930 N PHE A 64 4.534 2.186 -2.411 1.00 0.00 N ATOM 931 CA PHE A 64 3.779 2.185 -3.659 1.00 0.00 C ATOM 932 C PHE A 64 4.046 3.457 -4.458 1.00 0.00 C ATOM 933 O PHE A 64 4.526 4.455 -3.917 1.00 0.00 O ATOM 934 CB PHE A 64 2.282 2.053 -3.373 1.00 0.00 C ATOM 935 CG PHE A 64 1.833 0.635 -3.166 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.440 -0.146 -4.240 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.805 0.083 -1.895 1.00 0.00 C ATOM 938 CE1 PHE A 64 1.027 -1.452 -4.053 1.00 0.00 C ATOM 939 CE2 PHE A 64 1.394 -1.223 -1.701 1.00 0.00 C ATOM 940 CZ PHE A 64 1.003 -1.990 -2.781 1.00 0.00 C ATOM 0 H PHE A 64 4.019 2.544 -1.607 1.00 0.00 H new ATOM 0 HA PHE A 64 4.106 1.330 -4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.037 2.636 -2.485 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.722 2.485 -4.203 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.456 0.271 -5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.107 0.679 -1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.724 -2.050 -4.900 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.379 -1.643 -0.706 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.679 -3.009 -2.631 1.00 0.00 H new ATOM 950 N LEU A 65 3.732 3.415 -5.748 1.00 0.00 N ATOM 951 CA LEU A 65 3.938 4.564 -6.623 1.00 0.00 C ATOM 952 C LEU A 65 3.036 5.726 -6.219 1.00 0.00 C ATOM 953 O LEU A 65 3.504 6.844 -6.007 1.00 0.00 O ATOM 954 CB LEU A 65 3.668 4.177 -8.078 1.00 0.00 C ATOM 955 CG LEU A 65 4.066 5.210 -9.133 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.573 5.210 -9.338 1.00 0.00 C ATOM 957 CD2 LEU A 65 3.346 4.936 -10.446 1.00 0.00 C ATOM 0 H LEU A 65 3.334 2.598 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 65 4.976 4.882 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.198 3.248 -8.290 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.604 3.969 -8.186 1.00 0.00 H new ATOM 0 HG LEU A 65 3.769 6.197 -8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.838 5.951 -10.092 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.068 5.456 -8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.895 4.223 -9.671 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.641 5.681 -11.185 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.612 3.942 -10.806 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.269 4.989 -10.288 1.00 0.00 H new ATOM 969 N SER A 66 1.739 5.452 -6.111 1.00 0.00 N ATOM 970 CA SER A 66 0.771 6.474 -5.733 1.00 0.00 C ATOM 971 C SER A 66 0.172 6.174 -4.362 1.00 0.00 C ATOM 972 O SER A 66 -0.050 5.016 -4.010 1.00 0.00 O ATOM 973 CB SER A 66 -0.341 6.565 -6.780 1.00 0.00 C ATOM 974 OG SER A 66 0.195 6.717 -8.082 1.00 0.00 O ATOM 0 H SER A 66 1.335 4.531 -6.280 1.00 0.00 H new ATOM 0 HA SER A 66 1.291 7.431 -5.681 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.957 5.667 -6.740 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.992 7.408 -6.551 1.00 0.00 H new ATOM 0 HG SER A 66 -0.536 6.771 -8.732 1.00 0.00 H new ATOM 980 N GLU A 67 -0.088 7.228 -3.594 1.00 0.00 N ATOM 981 CA GLU A 67 -0.661 7.078 -2.261 1.00 0.00 C ATOM 982 C GLU A 67 -1.881 6.161 -2.294 1.00 0.00 C ATOM 983 O GLU A 67 -2.006 5.250 -1.477 1.00 0.00 O ATOM 984 CB GLU A 67 -1.050 8.444 -1.692 1.00 0.00 C ATOM 985 CG GLU A 67 -1.565 8.384 -0.264 1.00 0.00 C ATOM 986 CD GLU A 67 -2.357 9.617 0.123 1.00 0.00 C ATOM 987 OE1 GLU A 67 -3.210 10.050 -0.681 1.00 0.00 O ATOM 988 OE2 GLU A 67 -2.125 10.150 1.228 1.00 0.00 O ATOM 0 H GLU A 67 0.089 8.193 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 67 0.094 6.627 -1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.183 9.104 -1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.816 8.888 -2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.193 7.501 -0.145 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.722 8.269 0.418 1.00 0.00 H new ATOM 995 N GLU A 68 -2.777 6.412 -3.243 1.00 0.00 N ATOM 996 CA GLU A 68 -3.987 5.611 -3.380 1.00 0.00 C ATOM 997 C GLU A 68 -3.652 4.122 -3.425 1.00 0.00 C ATOM 998 O GLU A 68 -4.322 3.305 -2.793 1.00 0.00 O ATOM 999 CB GLU A 68 -4.750 6.011 -4.645 1.00 0.00 C ATOM 1000 CG GLU A 68 -3.959 5.801 -5.925 1.00 0.00 C ATOM 1001 CD GLU A 68 -4.780 6.074 -7.170 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -5.537 7.067 -7.176 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -4.665 5.295 -8.139 1.00 0.00 O ATOM 0 H GLU A 68 -2.688 7.163 -3.928 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.616 5.799 -2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.673 5.434 -4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.034 7.061 -4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.086 6.454 -5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.590 4.776 -5.955 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.613 3.779 -4.177 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.188 2.389 -4.305 1.00 0.00 C ATOM 1012 C ASP A 69 -1.951 1.765 -2.934 1.00 0.00 C ATOM 1013 O ASP A 69 -2.261 0.595 -2.711 1.00 0.00 O ATOM 1014 CB ASP A 69 -0.914 2.299 -5.147 1.00 0.00 C ATOM 1015 CG ASP A 69 -1.132 2.753 -6.577 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -2.278 2.657 -7.061 1.00 0.00 O ATOM 1017 OD2 ASP A 69 -0.155 3.204 -7.212 1.00 0.00 O ATOM 0 H ASP A 69 -2.049 4.443 -4.707 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.984 1.836 -4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.136 2.910 -4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.553 1.270 -5.146 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.399 2.554 -2.017 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.122 2.079 -0.668 1.00 0.00 C ATOM 1024 C ALA A 70 -2.404 1.651 0.038 1.00 0.00 C ATOM 1025 O ALA A 70 -2.547 0.495 0.438 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.410 3.157 0.136 1.00 0.00 C ATOM 0 H ALA A 70 -1.135 3.525 -2.185 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.471 1.208 -0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.209 2.788 1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.531 3.412 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.041 4.044 0.194 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.332 2.589 0.188 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.604 2.308 0.845 1.00 0.00 C ATOM 1034 C ASP A 71 -5.265 1.072 0.244 1.00 0.00 C ATOM 1035 O ASP A 71 -5.819 0.240 0.963 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.540 3.512 0.727 1.00 0.00 C ATOM 1037 CG ASP A 71 -6.551 3.572 1.855 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -6.900 2.502 2.397 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -6.992 4.689 2.197 1.00 0.00 O ATOM 0 H ASP A 71 -3.228 3.551 -0.136 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.406 2.114 1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.950 4.428 0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.066 3.467 -0.227 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.205 0.960 -1.078 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.801 -0.173 -1.777 1.00 0.00 C ATOM 1046 C TYR A 72 -5.178 -1.487 -1.316 1.00 0.00 C ATOM 1047 O TYR A 72 -5.859 -2.507 -1.211 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.628 -0.016 -3.288 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.537 -0.911 -4.099 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -6.398 -2.293 -4.060 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.535 -0.376 -4.904 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -7.226 -3.115 -4.800 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.369 -1.190 -5.645 1.00 0.00 C ATOM 1054 CZ TYR A 72 -8.210 -2.559 -5.590 1.00 0.00 C ATOM 1055 OH TYR A 72 -9.037 -3.374 -6.328 1.00 0.00 O ATOM 0 H TYR A 72 -4.750 1.640 -1.687 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.865 -0.194 -1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.817 1.022 -3.561 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.592 -0.231 -3.551 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.630 -2.732 -3.441 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.661 0.696 -4.951 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.103 -4.187 -4.760 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.141 -0.757 -6.264 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.676 -2.825 -6.829 1.00 0.00 H new ATOM 1065 N ALA A 73 -3.878 -1.453 -1.042 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.162 -2.640 -0.589 1.00 0.00 C ATOM 1067 C ALA A 73 -3.422 -2.907 0.889 1.00 0.00 C ATOM 1068 O ALA A 73 -3.332 -4.046 1.348 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.670 -2.486 -0.846 1.00 0.00 C ATOM 0 H ALA A 73 -3.299 -0.617 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.531 -3.495 -1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.148 -3.379 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.497 -2.352 -1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.296 -1.617 -0.306 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.742 -1.851 1.629 1.00 0.00 N ATOM 1076 CA ILE A 74 -4.015 -1.973 3.056 1.00 0.00 C ATOM 1077 C ILE A 74 -5.409 -2.539 3.303 1.00 0.00 C ATOM 1078 O ILE A 74 -5.731 -2.967 4.411 1.00 0.00 O ATOM 1079 CB ILE A 74 -3.890 -0.615 3.771 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.503 -0.014 3.532 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -4.154 -0.775 5.261 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.443 1.479 3.768 1.00 0.00 C ATOM 0 H ILE A 74 -3.819 -0.901 1.264 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.271 -2.658 3.462 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.636 0.065 3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.785 -0.506 4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.196 -0.224 2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.062 0.193 5.753 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.161 -1.165 5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.429 -1.468 5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.431 1.837 3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.137 1.982 3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.718 1.696 4.800 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.234 -2.539 2.261 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.594 -3.055 2.362 1.00 0.00 C ATOM 1096 C LYS A 75 -7.648 -4.527 1.968 1.00 0.00 C ATOM 1097 O LYS A 75 -8.531 -5.265 2.409 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.537 -2.243 1.471 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.700 -2.818 0.075 1.00 0.00 C ATOM 1100 CD LYS A 75 -9.244 -1.782 -0.894 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.765 -1.798 -0.932 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.313 -0.641 -1.693 1.00 0.00 N ATOM 0 H LYS A 75 -5.984 -2.187 1.337 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.915 -2.963 3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.515 -2.187 1.948 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.161 -1.223 1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.738 -3.183 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.373 -3.674 0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.897 -0.791 -0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.852 -1.975 -1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.107 -2.727 -1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.154 -1.780 0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.352 -0.688 -1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.008 0.246 -1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.963 -0.672 -2.672 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.700 -4.948 1.139 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.639 -6.334 0.689 1.00 0.00 C ATOM 1118 C ILE A 76 -5.534 -7.098 1.410 1.00 0.00 C ATOM 1119 O ILE A 76 -5.696 -8.269 1.750 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.402 -6.422 -0.830 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.031 -5.843 -1.189 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.505 -5.691 -1.582 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -4.644 -6.060 -2.635 1.00 0.00 C ATOM 0 H ILE A 76 -5.963 -4.350 0.765 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.603 -6.785 0.925 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.421 -7.471 -1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.030 -4.774 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.275 -6.295 -0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.323 -5.762 -2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.468 -6.144 -1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.515 -4.642 -1.285 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.662 -5.624 -2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.612 -7.129 -2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.379 -5.584 -3.284 1.00 0.00 H new ATOM 1135 N MET A 77 -4.411 -6.426 1.641 1.00 0.00 N ATOM 1136 CA MET A 77 -3.279 -7.041 2.325 1.00 0.00 C ATOM 1137 C MET A 77 -3.415 -6.898 3.837 1.00 0.00 C ATOM 1138 O MET A 77 -2.447 -7.076 4.576 1.00 0.00 O ATOM 1139 CB MET A 77 -1.967 -6.408 1.857 1.00 0.00 C ATOM 1140 CG MET A 77 -1.837 -6.327 0.344 1.00 0.00 C ATOM 1141 SD MET A 77 -2.226 -7.887 -0.471 1.00 0.00 S ATOM 1142 CE MET A 77 -0.741 -8.144 -1.437 1.00 0.00 C ATOM 0 H MET A 77 -4.260 -5.456 1.365 1.00 0.00 H new ATOM 0 HA MET A 77 -3.270 -8.102 2.077 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.888 -5.404 2.275 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.132 -6.985 2.255 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.501 -5.549 -0.033 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.820 -6.030 0.086 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.458 -9.196 -1.396 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.927 -7.859 -2.472 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.067 -7.534 -1.032 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.622 -6.576 4.290 1.00 0.00 N ATOM 1153 CA ASP A 78 -4.884 -6.411 5.715 1.00 0.00 C ATOM 1154 C ASP A 78 -5.513 -7.671 6.302 1.00 0.00 C ATOM 1155 O ASP A 78 -6.497 -8.188 5.775 1.00 0.00 O ATOM 1156 CB ASP A 78 -5.802 -5.210 5.950 1.00 0.00 C ATOM 1157 CG ASP A 78 -6.696 -5.393 7.161 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -6.189 -5.846 8.209 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -7.902 -5.085 7.061 1.00 0.00 O ATOM 0 H ASP A 78 -5.434 -6.424 3.691 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.932 -6.235 6.217 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.196 -4.313 6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.420 -5.050 5.066 1.00 0.00 H new ATOM 1164 N MET A 79 -4.936 -8.159 7.395 1.00 0.00 N ATOM 1165 CA MET A 79 -5.441 -9.359 8.054 1.00 0.00 C ATOM 1166 C MET A 79 -5.310 -10.575 7.142 1.00 0.00 C ATOM 1167 O MET A 79 -6.118 -11.501 7.209 1.00 0.00 O ATOM 1168 CB MET A 79 -6.903 -9.167 8.460 1.00 0.00 C ATOM 1169 CG MET A 79 -7.075 -8.602 9.861 1.00 0.00 C ATOM 1170 SD MET A 79 -8.675 -7.804 10.096 1.00 0.00 S ATOM 1171 CE MET A 79 -8.175 -6.095 10.293 1.00 0.00 C ATOM 0 H MET A 79 -4.119 -7.743 7.843 1.00 0.00 H new ATOM 0 HA MET A 79 -4.843 -9.531 8.949 1.00 0.00 H new ATOM 0 HB2 MET A 79 -7.385 -8.499 7.746 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.418 -10.126 8.398 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.964 -9.406 10.589 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.281 -7.881 10.058 1.00 0.00 H new ATOM 0 HE1 MET A 79 -8.686 -5.663 11.153 1.00 0.00 H new ATOM 0 HE2 MET A 79 -7.097 -6.047 10.449 1.00 0.00 H new ATOM 0 HE3 MET A 79 -8.437 -5.534 9.396 1.00 0.00 H new ATOM 1181 N ILE A 80 -4.288 -10.565 6.293 1.00 0.00 N ATOM 1182 CA ILE A 80 -4.052 -11.667 5.369 1.00 0.00 C ATOM 1183 C ILE A 80 -3.422 -12.858 6.084 1.00 0.00 C ATOM 1184 O ILE A 80 -2.818 -12.710 7.147 1.00 0.00 O ATOM 1185 CB ILE A 80 -3.139 -11.241 4.205 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -3.945 -10.482 3.148 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.462 -12.457 3.590 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -3.285 -10.458 1.787 1.00 0.00 C ATOM 0 H ILE A 80 -3.610 -9.806 6.226 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.024 -11.957 4.970 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.367 -10.577 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.930 -10.939 3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.099 -9.457 3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.820 -12.139 2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.860 -12.960 4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.220 -13.144 3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.912 -9.904 1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.311 -9.974 1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.156 -11.479 1.427 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.566 -14.039 5.494 1.00 0.00 N ATOM 1201 CA LYS A 81 -3.009 -15.257 6.071 1.00 0.00 C ATOM 1202 C LYS A 81 -1.910 -15.828 5.181 1.00 0.00 C ATOM 1203 O LYS A 81 -2.175 -16.643 4.296 1.00 0.00 O ATOM 1204 CB LYS A 81 -4.110 -16.300 6.273 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.813 -16.191 7.615 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.357 -17.534 8.072 1.00 0.00 C ATOM 1207 CE LYS A 81 -6.153 -17.405 9.361 1.00 0.00 C ATOM 1208 NZ LYS A 81 -7.402 -16.619 9.165 1.00 0.00 N ATOM 0 H LYS A 81 -4.064 -14.179 4.615 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.574 -15.005 7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.847 -16.197 5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.677 -17.296 6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.117 -15.807 8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.630 -15.473 7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.992 -17.955 7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.532 -18.230 8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.404 -18.398 9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.537 -16.925 10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.027 -16.750 9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.166 -15.611 9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.887 -16.947 8.305 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.677 -15.397 5.421 1.00 0.00 N ATOM 1223 CA LEU A 82 0.463 -15.867 4.641 1.00 0.00 C ATOM 1224 C LEU A 82 1.276 -16.890 5.428 1.00 0.00 C ATOM 1225 O LEU A 82 1.373 -16.811 6.653 1.00 0.00 O ATOM 1226 CB LEU A 82 1.354 -14.689 4.242 1.00 0.00 C ATOM 1227 CG LEU A 82 2.490 -15.006 3.270 1.00 0.00 C ATOM 1228 CD1 LEU A 82 1.949 -15.203 1.862 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.535 -13.900 3.292 1.00 0.00 C ATOM 0 H LEU A 82 -0.441 -14.723 6.149 1.00 0.00 H new ATOM 0 HA LEU A 82 0.082 -16.348 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.725 -13.919 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.786 -14.263 5.148 1.00 0.00 H new ATOM 0 HG LEU A 82 2.965 -15.934 3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.772 -15.428 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.239 -16.030 1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.447 -14.292 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.336 -14.143 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.073 -12.957 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.945 -13.807 4.297 1.00 0.00 H new ATOM 1241 N TYR A 83 1.860 -17.847 4.717 1.00 0.00 N ATOM 1242 CA TYR A 83 2.665 -18.886 5.348 1.00 0.00 C ATOM 1243 C TYR A 83 2.270 -19.068 6.811 1.00 0.00 C ATOM 1244 O TYR A 83 3.108 -18.985 7.707 1.00 0.00 O ATOM 1245 CB TYR A 83 4.152 -18.539 5.250 1.00 0.00 C ATOM 1246 CG TYR A 83 4.594 -18.159 3.855 1.00 0.00 C ATOM 1247 CD1 TYR A 83 4.400 -19.022 2.784 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.204 -16.935 3.608 1.00 0.00 C ATOM 1249 CE1 TYR A 83 4.803 -18.678 1.508 1.00 0.00 C ATOM 1250 CE2 TYR A 83 5.609 -16.582 2.335 1.00 0.00 C ATOM 1251 CZ TYR A 83 5.406 -17.457 1.288 1.00 0.00 C ATOM 1252 OH TYR A 83 5.808 -17.111 0.019 1.00 0.00 O ATOM 0 H TYR A 83 1.791 -17.925 3.702 1.00 0.00 H new ATOM 0 HA TYR A 83 2.481 -19.822 4.821 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.370 -17.714 5.928 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.739 -19.393 5.588 1.00 0.00 H new ATOM 0 HD1 TYR A 83 3.926 -19.978 2.952 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.364 -16.248 4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 83 4.647 -19.362 0.687 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.082 -15.627 2.161 1.00 0.00 H new ATOM 0 HH TYR A 83 5.222 -17.541 -0.638 1.00 0.00 H new ATOM 1262 N GLY A 84 0.985 -19.318 7.043 1.00 0.00 N ATOM 1263 CA GLY A 84 0.499 -19.509 8.397 1.00 0.00 C ATOM 1264 C GLY A 84 0.909 -18.382 9.324 1.00 0.00 C ATOM 1265 O GLY A 84 1.668 -18.592 10.271 1.00 0.00 O ATOM 0 H GLY A 84 0.272 -19.392 6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.588 -19.586 8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.880 -20.453 8.787 1.00 0.00 H new ATOM 1269 N LYS A 85 0.408 -17.182 9.052 1.00 0.00 N ATOM 1270 CA LYS A 85 0.727 -16.017 9.868 1.00 0.00 C ATOM 1271 C LYS A 85 -0.140 -14.825 9.476 1.00 0.00 C ATOM 1272 O LYS A 85 -0.005 -14.258 8.392 1.00 0.00 O ATOM 1273 CB LYS A 85 2.207 -15.655 9.721 1.00 0.00 C ATOM 1274 CG LYS A 85 3.105 -16.345 10.733 1.00 0.00 C ATOM 1275 CD LYS A 85 4.315 -15.493 11.076 1.00 0.00 C ATOM 1276 CE LYS A 85 3.944 -14.345 12.002 1.00 0.00 C ATOM 1277 NZ LYS A 85 5.119 -13.851 12.772 1.00 0.00 N ATOM 0 H LYS A 85 -0.221 -16.991 8.272 1.00 0.00 H new ATOM 0 HA LYS A 85 0.522 -16.267 10.909 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.538 -15.916 8.716 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.320 -14.576 9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.538 -16.556 11.640 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.435 -17.304 10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.075 -16.113 11.550 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.753 -15.096 10.160 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.524 -13.527 11.416 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.168 -14.673 12.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.824 -13.069 13.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.505 -14.624 13.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.849 -13.514 12.113 1.00 0.00 H new ATOM 1291 N PRO A 86 -1.052 -14.433 10.379 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.958 -13.304 10.150 1.00 0.00 C ATOM 1293 C PRO A 86 -1.229 -11.964 10.161 1.00 0.00 C ATOM 1294 O PRO A 86 -1.187 -11.279 11.183 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.936 -13.390 11.324 1.00 0.00 C ATOM 1296 CG PRO A 86 -2.180 -14.096 12.396 1.00 0.00 C ATOM 1297 CD PRO A 86 -1.269 -15.063 11.692 1.00 0.00 C ATOM 0 HA PRO A 86 -2.438 -13.358 9.173 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.252 -12.399 11.649 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.837 -13.938 11.049 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.609 -13.391 13.000 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.857 -14.619 13.071 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.332 -15.199 12.232 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.726 -16.048 11.595 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.656 -11.599 9.020 1.00 0.00 N ATOM 1306 CA ILE A 87 0.070 -10.340 8.899 1.00 0.00 C ATOM 1307 C ILE A 87 -0.826 -9.154 9.236 1.00 0.00 C ATOM 1308 O ILE A 87 -2.034 -9.307 9.419 1.00 0.00 O ATOM 1309 CB ILE A 87 0.639 -10.153 7.480 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.495 -9.921 6.479 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.469 -11.362 7.078 1.00 0.00 C ATOM 1312 CD1 ILE A 87 -0.018 -9.444 5.125 1.00 0.00 C ATOM 0 H ILE A 87 -0.680 -12.156 8.166 1.00 0.00 H new ATOM 0 HA ILE A 87 0.895 -10.382 9.610 1.00 0.00 H new ATOM 0 HB ILE A 87 1.286 -9.276 7.477 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.053 -10.849 6.352 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.187 -9.187 6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.864 -11.214 6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.295 -11.485 7.778 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.844 -12.255 7.094 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.875 -9.301 4.467 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.514 -8.500 5.239 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.651 -10.188 4.692 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.227 -7.970 9.316 1.00 0.00 N ATOM 1325 CA ARG A 88 -0.971 -6.757 9.630 1.00 0.00 C ATOM 1326 C ARG A 88 -0.458 -5.576 8.811 1.00 0.00 C ATOM 1327 O ARG A 88 0.701 -5.178 8.934 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.863 -6.440 11.123 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.548 -7.464 12.014 1.00 0.00 C ATOM 1330 CD ARG A 88 -3.059 -7.428 11.845 1.00 0.00 C ATOM 1331 NE ARG A 88 -3.635 -6.180 12.339 1.00 0.00 N ATOM 1332 CZ ARG A 88 -3.778 -5.897 13.629 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -3.387 -6.768 14.550 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -4.311 -4.740 14.001 1.00 0.00 N ATOM 0 H ARG A 88 0.772 -7.826 9.168 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.017 -6.927 9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.190 -6.379 11.398 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.299 -5.459 11.310 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.178 -8.461 11.775 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.293 -7.270 13.056 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.309 -7.551 10.791 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.504 -8.269 12.378 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.944 -5.488 11.656 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.975 -7.658 14.268 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.498 -6.548 15.540 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.611 -4.067 13.296 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.420 -4.524 14.992 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.328 -5.022 7.972 1.00 0.00 N ATOM 1349 CA VAL A 89 -0.963 -3.887 7.133 1.00 0.00 C ATOM 1350 C VAL A 89 -1.684 -2.620 7.578 1.00 0.00 C ATOM 1351 O VAL A 89 -2.883 -2.640 7.852 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.289 -4.157 5.652 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -1.223 -2.868 4.847 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.343 -5.202 5.080 1.00 0.00 C ATOM 0 H VAL A 89 -2.290 -5.341 7.856 1.00 0.00 H new ATOM 0 HA VAL A 89 0.112 -3.746 7.241 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.305 -4.546 5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.456 -3.079 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.945 -2.154 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.220 -2.446 4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.588 -5.380 4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.684 -4.844 5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.446 -6.131 5.640 1.00 0.00 H new ATOM 1364 N ASN A 90 -0.945 -1.518 7.646 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.514 -0.240 8.058 1.00 0.00 C ATOM 1366 C ASN A 90 -0.638 0.921 7.596 1.00 0.00 C ATOM 1367 O ASN A 90 0.578 0.781 7.464 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.677 -0.197 9.579 1.00 0.00 C ATOM 1369 CG ASN A 90 -2.537 -1.332 10.101 1.00 0.00 C ATOM 1370 OD1 ASN A 90 -2.045 -2.431 10.356 1.00 0.00 O ATOM 1371 ND2 ASN A 90 -3.828 -1.069 10.262 1.00 0.00 N ATOM 0 H ASN A 90 0.049 -1.484 7.421 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.494 -0.140 7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.694 -0.244 10.048 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.123 0.755 9.867 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.456 -1.793 10.610 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.192 -0.143 10.037 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.264 2.067 7.351 1.00 0.00 N ATOM 1379 CA LYS A 91 -0.543 3.253 6.906 1.00 0.00 C ATOM 1380 C LYS A 91 0.682 3.505 7.779 1.00 0.00 C ATOM 1381 O LYS A 91 0.562 3.733 8.982 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.463 4.476 6.935 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.530 4.459 5.854 1.00 0.00 C ATOM 1384 CD LYS A 91 -1.986 4.955 4.525 1.00 0.00 C ATOM 1385 CE LYS A 91 -2.070 6.470 4.419 1.00 0.00 C ATOM 1386 NZ LYS A 91 -1.737 6.949 3.049 1.00 0.00 N ATOM 0 H LYS A 91 -2.270 2.199 7.453 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.209 3.081 5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.946 4.534 7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.860 5.377 6.824 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.913 3.445 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.369 5.083 6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.949 4.638 4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.547 4.500 3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.075 6.797 4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.387 6.923 5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.806 7.986 3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.769 6.659 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.404 6.537 2.366 1.00 0.00 H new ATOM 1400 N ALA A 92 1.860 3.463 7.165 1.00 0.00 N ATOM 1401 CA ALA A 92 3.106 3.690 7.886 1.00 0.00 C ATOM 1402 C ALA A 92 3.079 5.025 8.623 1.00 0.00 C ATOM 1403 O ALA A 92 3.470 5.110 9.787 1.00 0.00 O ATOM 1404 CB ALA A 92 4.287 3.639 6.928 1.00 0.00 C ATOM 0 H ALA A 92 1.977 3.274 6.170 1.00 0.00 H new ATOM 0 HA ALA A 92 3.217 2.898 8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.211 3.810 7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.326 2.660 6.450 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.171 4.410 6.166 1.00 0.00 H new