USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 537 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 18 THR OG1 : rot 180:sc= 0.274 USER MOD Set 1.2: A 65 THR OG1 : rot -69:sc= 0.287 USER MOD Single : A 28 HIS : no HE2:sc= -2.1! C(o=-2.1!,f=-6.3!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -131:sc= -0.729 (180deg=-2.56!) USER MOD Single : A 42 MET CE :methyl -154:sc= 0 (180deg=-0.4) USER MOD Single : A 43 MET CE :methyl -178:sc= -0.682 (180deg=-0.694) USER MOD Single : A 49 ASN : amide:sc= -0.503 K(o=-0.5,f=-5.2!) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.852 K(o=-0.85,f=-4.5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 160:sc= -1.75 (180deg=-2.93) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 15 -0.136 -17.427 15.605 1.00 0.00 N ATOM 177 CA VAL A 15 -0.011 -15.995 15.848 1.00 0.00 C ATOM 178 C VAL A 15 0.472 -15.266 14.600 1.00 0.00 C ATOM 179 O VAL A 15 1.412 -15.691 13.928 1.00 0.00 O ATOM 180 CB VAL A 15 0.960 -15.704 17.008 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.320 -16.328 16.734 1.00 0.00 C ATOM 182 CG2 VAL A 15 1.087 -14.206 17.233 1.00 0.00 C ATOM 0 HA VAL A 15 -1.003 -15.632 16.116 1.00 0.00 H new ATOM 0 HB VAL A 15 0.558 -16.151 17.917 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.993 -16.112 17.564 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.210 -17.407 16.627 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.733 -15.912 15.815 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.777 -14.019 18.056 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.466 -13.733 16.327 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.109 -13.791 17.477 1.00 0.00 H new ATOM 192 N PRO A 16 -0.183 -14.140 14.281 1.00 0.00 N ATOM 193 CA PRO A 16 0.163 -13.326 13.112 1.00 0.00 C ATOM 194 C PRO A 16 1.503 -12.616 13.276 1.00 0.00 C ATOM 195 O PRO A 16 2.179 -12.773 14.293 1.00 0.00 O ATOM 196 CB PRO A 16 -0.977 -12.308 13.039 1.00 0.00 C ATOM 197 CG PRO A 16 -1.485 -12.207 14.436 1.00 0.00 C ATOM 198 CD PRO A 16 -1.312 -13.574 15.038 1.00 0.00 C ATOM 0 HA PRO A 16 0.271 -13.931 12.211 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.623 -11.343 12.676 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.760 -12.638 12.356 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.929 -11.459 15.001 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.532 -11.904 14.450 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.093 -13.519 16.104 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.213 -14.178 14.928 1.00 0.00 H new ATOM 206 N VAL A 17 1.880 -11.835 12.269 1.00 0.00 N ATOM 207 CA VAL A 17 3.139 -11.099 12.303 1.00 0.00 C ATOM 208 C VAL A 17 3.015 -9.763 11.578 1.00 0.00 C ATOM 209 O VAL A 17 2.194 -9.609 10.672 1.00 0.00 O ATOM 210 CB VAL A 17 4.282 -11.912 11.665 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.936 -12.815 12.699 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.764 -12.724 10.487 1.00 0.00 C ATOM 0 H VAL A 17 1.332 -11.695 11.420 1.00 0.00 H new ATOM 0 HA VAL A 17 3.372 -10.919 13.353 1.00 0.00 H new ATOM 0 HB VAL A 17 5.037 -11.218 11.295 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.741 -13.381 12.230 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.343 -12.207 13.507 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.194 -13.504 13.101 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.584 -13.292 10.048 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.990 -13.410 10.830 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.346 -12.052 9.737 1.00 0.00 H new ATOM 222 N THR A 18 3.835 -8.799 11.983 1.00 0.00 N ATOM 223 CA THR A 18 3.817 -7.475 11.373 1.00 0.00 C ATOM 224 C THR A 18 4.869 -7.360 10.277 1.00 0.00 C ATOM 225 O THR A 18 6.024 -7.740 10.471 1.00 0.00 O ATOM 226 CB THR A 18 4.058 -6.371 12.419 1.00 0.00 C ATOM 227 OG1 THR A 18 3.098 -6.480 13.477 1.00 0.00 O ATOM 228 CG2 THR A 18 3.964 -4.992 11.783 1.00 0.00 C ATOM 0 H THR A 18 4.520 -8.910 12.731 1.00 0.00 H new ATOM 0 HA THR A 18 2.827 -7.342 10.937 1.00 0.00 H new ATOM 0 HB THR A 18 5.062 -6.499 12.824 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.259 -5.775 14.139 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.138 -4.229 12.542 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.715 -4.901 10.998 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.972 -4.857 11.353 1.00 0.00 H new ATOM 236 N ILE A 19 4.464 -6.834 9.126 1.00 0.00 N ATOM 237 CA ILE A 19 5.376 -6.667 8.000 1.00 0.00 C ATOM 238 C ILE A 19 5.625 -5.191 7.708 1.00 0.00 C ATOM 239 O ILE A 19 5.091 -4.315 8.389 1.00 0.00 O ATOM 240 CB ILE A 19 4.829 -7.345 6.730 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.430 -6.819 6.405 1.00 0.00 C ATOM 242 CG2 ILE A 19 4.806 -8.856 6.904 1.00 0.00 C ATOM 243 CD1 ILE A 19 2.903 -7.290 5.068 1.00 0.00 C ATOM 0 H ILE A 19 3.511 -6.516 8.948 1.00 0.00 H new ATOM 0 HA ILE A 19 6.316 -7.142 8.281 1.00 0.00 H new ATOM 0 HB ILE A 19 5.489 -7.105 5.896 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.741 -7.133 7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.449 -5.729 6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.417 -9.321 5.998 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.818 -9.216 7.091 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.167 -9.115 7.748 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.907 -6.878 4.904 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.570 -6.953 4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.851 -8.379 5.060 1.00 0.00 H new ATOM 255 N GLU A 20 6.437 -4.924 6.691 1.00 0.00 N ATOM 256 CA GLU A 20 6.756 -3.553 6.309 1.00 0.00 C ATOM 257 C GLU A 20 6.587 -3.355 4.805 1.00 0.00 C ATOM 258 O GLU A 20 7.155 -4.097 4.002 1.00 0.00 O ATOM 259 CB GLU A 20 8.187 -3.203 6.723 1.00 0.00 C ATOM 260 CG GLU A 20 8.301 -2.698 8.151 1.00 0.00 C ATOM 261 CD GLU A 20 9.697 -2.215 8.490 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.666 -2.757 7.916 1.00 0.00 O ATOM 263 OE2 GLU A 20 9.822 -1.298 9.328 1.00 0.00 O ATOM 0 H GLU A 20 6.886 -5.638 6.117 1.00 0.00 H new ATOM 0 HA GLU A 20 6.064 -2.889 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.816 -4.086 6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.577 -2.443 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.592 -1.884 8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.020 -3.496 8.838 1.00 0.00 H new ATOM 270 N VAL A 21 5.803 -2.348 4.431 1.00 0.00 N ATOM 271 CA VAL A 21 5.560 -2.051 3.024 1.00 0.00 C ATOM 272 C VAL A 21 6.039 -0.648 2.668 1.00 0.00 C ATOM 273 O VAL A 21 5.854 0.295 3.437 1.00 0.00 O ATOM 274 CB VAL A 21 4.065 -2.175 2.674 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.886 -2.477 1.195 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.407 -3.248 3.529 1.00 0.00 C ATOM 0 H VAL A 21 5.326 -1.725 5.082 1.00 0.00 H new ATOM 0 HA VAL A 21 6.123 -2.782 2.444 1.00 0.00 H new ATOM 0 HB VAL A 21 3.579 -1.223 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.823 -2.561 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.322 -1.671 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.385 -3.415 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.351 -3.323 3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.894 -4.206 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.504 -2.984 4.582 1.00 0.00 H new ATOM 286 N GLU A 22 6.655 -0.518 1.497 1.00 0.00 N ATOM 287 CA GLU A 22 7.160 0.771 1.040 1.00 0.00 C ATOM 288 C GLU A 22 6.053 1.585 0.377 1.00 0.00 C ATOM 289 O GLU A 22 5.651 1.304 -0.752 1.00 0.00 O ATOM 290 CB GLU A 22 8.319 0.571 0.060 1.00 0.00 C ATOM 291 CG GLU A 22 9.628 0.197 0.733 1.00 0.00 C ATOM 292 CD GLU A 22 10.540 -0.608 -0.172 1.00 0.00 C ATOM 293 OE1 GLU A 22 10.241 -1.797 -0.409 1.00 0.00 O ATOM 294 OE2 GLU A 22 11.554 -0.050 -0.642 1.00 0.00 O ATOM 0 H GLU A 22 6.816 -1.289 0.849 1.00 0.00 H new ATOM 0 HA GLU A 22 7.520 1.321 1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.051 -0.209 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.463 1.488 -0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.143 1.105 1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.417 -0.378 1.635 1.00 0.00 H new ATOM 301 N VAL A 23 5.564 2.596 1.088 1.00 0.00 N ATOM 302 CA VAL A 23 4.504 3.452 0.569 1.00 0.00 C ATOM 303 C VAL A 23 4.721 4.904 0.979 1.00 0.00 C ATOM 304 O VAL A 23 4.963 5.217 2.145 1.00 0.00 O ATOM 305 CB VAL A 23 3.120 2.993 1.062 1.00 0.00 C ATOM 306 CG1 VAL A 23 2.043 3.974 0.624 1.00 0.00 C ATOM 307 CG2 VAL A 23 2.813 1.591 0.558 1.00 0.00 C ATOM 0 H VAL A 23 5.885 2.842 2.024 1.00 0.00 H new ATOM 0 HA VAL A 23 4.538 3.375 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 23 3.132 2.968 2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.072 3.632 0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.257 4.959 1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.027 4.035 -0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.831 1.283 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.820 1.587 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.568 0.898 0.928 1.00 0.00 H new ATOM 317 N PRO A 24 4.632 5.816 -0.001 1.00 0.00 N ATOM 318 CA PRO A 24 4.814 7.252 0.234 1.00 0.00 C ATOM 319 C PRO A 24 3.667 7.857 1.036 1.00 0.00 C ATOM 320 O PRO A 24 2.496 7.613 0.746 1.00 0.00 O ATOM 321 CB PRO A 24 4.848 7.841 -1.179 1.00 0.00 C ATOM 322 CG PRO A 24 4.085 6.870 -2.013 1.00 0.00 C ATOM 323 CD PRO A 24 4.344 5.516 -1.414 1.00 0.00 C ATOM 0 HA PRO A 24 5.710 7.460 0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.392 8.831 -1.206 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.871 7.952 -1.537 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.020 7.102 -2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.413 6.906 -3.052 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.480 4.859 -1.517 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.184 5.017 -1.898 1.00 0.00 H new ATOM 331 N PHE A 25 4.011 8.651 2.045 1.00 0.00 N ATOM 332 CA PHE A 25 3.011 9.292 2.889 1.00 0.00 C ATOM 333 C PHE A 25 2.076 10.166 2.058 1.00 0.00 C ATOM 334 O PHE A 25 0.991 10.535 2.506 1.00 0.00 O ATOM 335 CB PHE A 25 3.689 10.136 3.970 1.00 0.00 C ATOM 336 CG PHE A 25 2.726 10.747 4.948 1.00 0.00 C ATOM 337 CD1 PHE A 25 1.997 11.875 4.610 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.549 10.191 6.205 1.00 0.00 C ATOM 339 CE1 PHE A 25 1.109 12.439 5.507 1.00 0.00 C ATOM 340 CE2 PHE A 25 1.662 10.749 7.106 1.00 0.00 C ATOM 341 CZ PHE A 25 0.943 11.876 6.758 1.00 0.00 C ATOM 0 H PHE A 25 4.976 8.866 2.298 1.00 0.00 H new ATOM 0 HA PHE A 25 2.420 8.510 3.366 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.399 9.513 4.513 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.262 10.931 3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.124 12.319 3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.111 9.312 6.484 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.546 13.318 5.230 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.531 10.304 8.081 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.253 12.316 7.462 1.00 0.00 H new ATOM 351 N ASP A 26 2.507 10.494 0.845 1.00 0.00 N ATOM 352 CA ASP A 26 1.710 11.323 -0.052 1.00 0.00 C ATOM 353 C ASP A 26 0.439 10.595 -0.481 1.00 0.00 C ATOM 354 O ASP A 26 -0.519 11.216 -0.943 1.00 0.00 O ATOM 355 CB ASP A 26 2.528 11.715 -1.282 1.00 0.00 C ATOM 356 CG ASP A 26 3.820 12.422 -0.918 1.00 0.00 C ATOM 357 OD1 ASP A 26 3.781 13.650 -0.689 1.00 0.00 O ATOM 358 OD2 ASP A 26 4.869 11.748 -0.861 1.00 0.00 O ATOM 0 H ASP A 26 3.404 10.198 0.460 1.00 0.00 H new ATOM 0 HA ASP A 26 1.425 12.226 0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.757 10.821 -1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.929 12.364 -1.921 1.00 0.00 H new ATOM 363 N LEU A 27 0.441 9.276 -0.327 1.00 0.00 N ATOM 364 CA LEU A 27 -0.712 8.462 -0.700 1.00 0.00 C ATOM 365 C LEU A 27 -1.526 8.075 0.530 1.00 0.00 C ATOM 366 O LEU A 27 -2.737 7.865 0.445 1.00 0.00 O ATOM 367 CB LEU A 27 -0.254 7.204 -1.440 1.00 0.00 C ATOM 368 CG LEU A 27 0.351 7.423 -2.827 1.00 0.00 C ATOM 369 CD1 LEU A 27 0.917 6.121 -3.374 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.688 7.997 -3.778 1.00 0.00 C ATOM 0 H LEU A 27 1.226 8.747 0.053 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.346 9.054 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.482 6.691 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.108 6.534 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 27 1.167 8.140 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.343 6.296 -4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.693 5.752 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.120 5.381 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.239 8.146 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.525 7.304 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.045 8.952 -3.393 1.00 0.00 H new ATOM 382 N HIS A 28 -0.854 7.984 1.673 1.00 0.00 N ATOM 383 CA HIS A 28 -1.516 7.624 2.922 1.00 0.00 C ATOM 384 C HIS A 28 -2.904 8.253 3.002 1.00 0.00 C ATOM 385 O HIS A 28 -3.907 7.551 3.138 1.00 0.00 O ATOM 386 CB HIS A 28 -0.673 8.070 4.118 1.00 0.00 C ATOM 387 CG HIS A 28 0.565 7.251 4.316 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.479 7.498 5.318 1.00 0.00 N ATOM 389 CD2 HIS A 28 1.038 6.182 3.633 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.461 6.618 5.243 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.217 5.807 4.229 1.00 0.00 N ATOM 0 H HIS A 28 0.148 8.154 1.760 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.625 6.540 2.947 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.390 9.114 3.984 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.282 8.018 5.021 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.408 8.244 6.010 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.574 5.712 2.778 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.318 6.570 5.899 1.00 0.00 H new ATOM 399 N ARG A 29 -2.954 9.577 2.917 1.00 0.00 N ATOM 400 CA ARG A 29 -4.219 10.300 2.981 1.00 0.00 C ATOM 401 C ARG A 29 -5.253 9.670 2.052 1.00 0.00 C ATOM 402 O ARG A 29 -6.439 9.612 2.375 1.00 0.00 O ATOM 403 CB ARG A 29 -4.012 11.769 2.610 1.00 0.00 C ATOM 404 CG ARG A 29 -3.277 11.967 1.294 1.00 0.00 C ATOM 405 CD ARG A 29 -3.216 13.435 0.904 1.00 0.00 C ATOM 406 NE ARG A 29 -2.174 14.152 1.635 1.00 0.00 N ATOM 407 CZ ARG A 29 -1.973 15.461 1.532 1.00 0.00 C ATOM 408 NH1 ARG A 29 -2.740 16.193 0.736 1.00 0.00 N ATOM 409 NH2 ARG A 29 -1.004 16.041 2.229 1.00 0.00 N ATOM 0 H ARG A 29 -2.133 10.172 2.804 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.591 10.240 4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.983 12.261 2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.453 12.261 3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.265 11.570 1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.777 11.401 0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.031 13.518 -0.167 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.182 13.902 1.098 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.568 13.619 2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.487 15.751 0.200 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.583 17.198 0.659 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.413 15.482 2.844 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.850 17.046 2.150 1.00 0.00 H new ATOM 423 N TYR A 30 -4.794 9.201 0.897 1.00 0.00 N ATOM 424 CA TYR A 30 -5.678 8.579 -0.081 1.00 0.00 C ATOM 425 C TYR A 30 -5.928 7.114 0.265 1.00 0.00 C ATOM 426 O TYR A 30 -6.978 6.558 -0.059 1.00 0.00 O ATOM 427 CB TYR A 30 -5.079 8.688 -1.484 1.00 0.00 C ATOM 428 CG TYR A 30 -4.778 10.109 -1.905 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.727 11.114 -1.759 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.546 10.447 -2.449 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.457 12.413 -2.143 1.00 0.00 C ATOM 432 CE2 TYR A 30 -3.265 11.743 -2.834 1.00 0.00 C ATOM 433 CZ TYR A 30 -4.225 12.722 -2.679 1.00 0.00 C ATOM 434 OH TYR A 30 -3.951 14.016 -3.062 1.00 0.00 O ATOM 0 H TYR A 30 -3.814 9.240 0.615 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.631 9.107 -0.059 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.160 8.104 -1.524 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.770 8.244 -2.201 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.692 10.875 -1.338 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.794 9.682 -2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.206 13.182 -2.024 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.301 11.989 -3.253 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.040 14.066 -3.419 1.00 0.00 H new ATOM 444 N VAL A 31 -4.955 6.495 0.926 1.00 0.00 N ATOM 445 CA VAL A 31 -5.069 5.095 1.320 1.00 0.00 C ATOM 446 C VAL A 31 -6.098 4.917 2.429 1.00 0.00 C ATOM 447 O VAL A 31 -6.999 4.085 2.326 1.00 0.00 O ATOM 448 CB VAL A 31 -3.715 4.535 1.795 1.00 0.00 C ATOM 449 CG1 VAL A 31 -3.869 3.098 2.269 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.679 4.631 0.686 1.00 0.00 C ATOM 0 H VAL A 31 -4.079 6.940 1.200 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.393 4.543 0.438 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.369 5.135 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.902 2.719 2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.577 3.062 3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.238 2.482 1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.729 4.231 1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.016 4.057 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.549 5.674 0.399 1.00 0.00 H new ATOM 460 N ILE A 32 -5.959 5.706 3.490 1.00 0.00 N ATOM 461 CA ILE A 32 -6.879 5.636 4.618 1.00 0.00 C ATOM 462 C ILE A 32 -8.275 6.103 4.220 1.00 0.00 C ATOM 463 O ILE A 32 -9.258 5.388 4.411 1.00 0.00 O ATOM 464 CB ILE A 32 -6.383 6.488 5.802 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.922 6.163 6.117 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.259 6.257 7.024 1.00 0.00 C ATOM 467 CD1 ILE A 32 -4.235 7.217 6.955 1.00 0.00 C ATOM 0 H ILE A 32 -5.219 6.400 3.591 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.923 4.591 4.925 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.449 7.540 5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.876 5.208 6.640 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.376 6.041 5.182 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.896 6.866 7.852 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.287 6.535 6.792 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.222 5.204 7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.203 6.920 7.139 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.249 8.169 6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.757 7.323 7.906 1.00 0.00 H new ATOM 550 N ILE A 39 -9.013 1.520 3.423 1.00 0.00 N ATOM 551 CA ILE A 39 -8.209 0.443 3.988 1.00 0.00 C ATOM 552 C ILE A 39 -9.092 -0.678 4.528 1.00 0.00 C ATOM 553 O ILE A 39 -8.897 -1.848 4.201 1.00 0.00 O ATOM 554 CB ILE A 39 -7.297 0.953 5.119 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.275 1.949 4.569 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.597 -0.212 5.802 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.374 2.540 5.631 1.00 0.00 C ATOM 0 HA ILE A 39 -7.589 0.056 3.180 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.912 1.465 5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.661 1.450 3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.803 2.756 4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.956 0.165 6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.342 -0.887 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.991 -0.750 5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.675 3.237 5.169 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.979 3.068 6.368 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.818 1.741 6.122 1.00 0.00 H new ATOM 569 N ARG A 40 -10.064 -0.310 5.356 1.00 0.00 N ATOM 570 CA ARG A 40 -10.978 -1.283 5.941 1.00 0.00 C ATOM 571 C ARG A 40 -11.379 -2.338 4.915 1.00 0.00 C ATOM 572 O ARG A 40 -11.446 -3.528 5.224 1.00 0.00 O ATOM 573 CB ARG A 40 -12.226 -0.582 6.481 1.00 0.00 C ATOM 574 CG ARG A 40 -12.096 -0.133 7.928 1.00 0.00 C ATOM 575 CD ARG A 40 -13.437 0.293 8.503 1.00 0.00 C ATOM 576 NE ARG A 40 -13.295 0.936 9.806 1.00 0.00 N ATOM 577 CZ ARG A 40 -14.304 1.498 10.463 1.00 0.00 C ATOM 578 NH1 ARG A 40 -15.522 1.494 9.940 1.00 0.00 N ATOM 579 NH2 ARG A 40 -14.094 2.064 11.644 1.00 0.00 N ATOM 0 H ARG A 40 -10.239 0.655 5.637 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.463 -1.778 6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.443 0.286 5.858 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.077 -1.257 6.394 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.684 -0.946 8.526 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.392 0.697 7.990 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.926 0.979 7.812 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.084 -0.579 8.598 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.370 0.955 10.236 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.686 1.059 9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.296 1.926 10.446 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.158 2.068 12.048 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.869 2.495 12.148 1.00 0.00 H new ATOM 593 N LYS A 41 -11.646 -1.895 3.691 1.00 0.00 N ATOM 594 CA LYS A 41 -12.039 -2.799 2.618 1.00 0.00 C ATOM 595 C LYS A 41 -11.143 -4.033 2.590 1.00 0.00 C ATOM 596 O LYS A 41 -11.627 -5.164 2.626 1.00 0.00 O ATOM 597 CB LYS A 41 -11.977 -2.081 1.268 1.00 0.00 C ATOM 598 CG LYS A 41 -12.212 -2.997 0.079 1.00 0.00 C ATOM 599 CD LYS A 41 -13.684 -3.339 -0.078 1.00 0.00 C ATOM 600 CE LYS A 41 -14.450 -2.210 -0.748 1.00 0.00 C ATOM 601 NZ LYS A 41 -14.930 -1.203 0.239 1.00 0.00 N ATOM 0 H LYS A 41 -11.597 -0.913 3.418 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.064 -3.119 2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.721 -1.285 1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.001 -1.607 1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.850 -2.516 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.636 -3.914 0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.786 -4.250 -0.668 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.118 -3.543 0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.809 -1.722 -1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.301 -2.621 -1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.938 -1.008 0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.803 -1.573 1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.385 -0.324 0.131 1.00 0.00 H new ATOM 615 N MET A 42 -9.834 -3.808 2.527 1.00 0.00 N ATOM 616 CA MET A 42 -8.871 -4.902 2.498 1.00 0.00 C ATOM 617 C MET A 42 -8.871 -5.661 3.820 1.00 0.00 C ATOM 618 O MET A 42 -8.869 -6.892 3.840 1.00 0.00 O ATOM 619 CB MET A 42 -7.469 -4.368 2.202 1.00 0.00 C ATOM 620 CG MET A 42 -7.400 -3.495 0.959 1.00 0.00 C ATOM 621 SD MET A 42 -5.797 -3.581 0.137 1.00 0.00 S ATOM 622 CE MET A 42 -4.714 -3.024 1.450 1.00 0.00 C ATOM 0 H MET A 42 -9.417 -2.878 2.495 1.00 0.00 H new ATOM 0 HA MET A 42 -9.164 -5.590 1.705 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.120 -3.793 3.060 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.786 -5.209 2.083 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.179 -3.802 0.261 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.608 -2.461 1.234 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.814 -2.585 1.018 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.229 -2.276 2.053 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.439 -3.871 2.079 1.00 0.00 H new ATOM 632 N MET A 43 -8.870 -4.920 4.924 1.00 0.00 N ATOM 633 CA MET A 43 -8.870 -5.524 6.250 1.00 0.00 C ATOM 634 C MET A 43 -10.042 -6.487 6.409 1.00 0.00 C ATOM 635 O MET A 43 -9.954 -7.473 7.141 1.00 0.00 O ATOM 636 CB MET A 43 -8.937 -4.440 7.328 1.00 0.00 C ATOM 637 CG MET A 43 -7.744 -3.499 7.316 1.00 0.00 C ATOM 638 SD MET A 43 -7.507 -2.658 8.894 1.00 0.00 S ATOM 639 CE MET A 43 -8.910 -1.544 8.899 1.00 0.00 C ATOM 0 H MET A 43 -8.869 -3.900 4.925 1.00 0.00 H new ATOM 0 HA MET A 43 -7.943 -6.085 6.366 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.849 -3.859 7.192 1.00 0.00 H new ATOM 0 HB3 MET A 43 -9.005 -4.915 8.306 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.844 -4.063 7.070 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.880 -2.756 6.530 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.882 -0.928 9.798 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.869 -0.903 8.019 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.834 -2.122 8.883 1.00 0.00 H new ATOM 649 N ASP A 44 -11.139 -6.196 5.719 1.00 0.00 N ATOM 650 CA ASP A 44 -12.330 -7.036 5.783 1.00 0.00 C ATOM 651 C ASP A 44 -12.201 -8.231 4.844 1.00 0.00 C ATOM 652 O ASP A 44 -12.848 -9.259 5.041 1.00 0.00 O ATOM 653 CB ASP A 44 -13.575 -6.223 5.426 1.00 0.00 C ATOM 654 CG ASP A 44 -14.212 -5.578 6.641 1.00 0.00 C ATOM 655 OD1 ASP A 44 -13.560 -4.716 7.265 1.00 0.00 O ATOM 656 OD2 ASP A 44 -15.363 -5.937 6.969 1.00 0.00 O ATOM 0 H ASP A 44 -11.229 -5.384 5.108 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.429 -7.406 6.803 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.307 -5.450 4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.303 -6.873 4.939 1.00 0.00 H new ATOM 661 N GLU A 45 -11.364 -8.086 3.821 1.00 0.00 N ATOM 662 CA GLU A 45 -11.154 -9.155 2.850 1.00 0.00 C ATOM 663 C GLU A 45 -10.041 -10.094 3.307 1.00 0.00 C ATOM 664 O GLU A 45 -10.269 -11.284 3.526 1.00 0.00 O ATOM 665 CB GLU A 45 -10.808 -8.567 1.480 1.00 0.00 C ATOM 666 CG GLU A 45 -10.449 -9.616 0.441 1.00 0.00 C ATOM 667 CD GLU A 45 -11.663 -10.139 -0.304 1.00 0.00 C ATOM 668 OE1 GLU A 45 -12.691 -9.431 -0.335 1.00 0.00 O ATOM 669 OE2 GLU A 45 -11.584 -11.258 -0.854 1.00 0.00 O ATOM 0 H GLU A 45 -10.821 -7.241 3.643 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.079 -9.727 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.656 -7.985 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.972 -7.876 1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.745 -9.189 -0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.941 -10.447 0.930 1.00 0.00 H new ATOM 676 N PHE A 46 -8.837 -9.551 3.450 1.00 0.00 N ATOM 677 CA PHE A 46 -7.689 -10.340 3.879 1.00 0.00 C ATOM 678 C PHE A 46 -7.762 -10.639 5.373 1.00 0.00 C ATOM 679 O PHE A 46 -6.916 -11.349 5.917 1.00 0.00 O ATOM 680 CB PHE A 46 -6.388 -9.602 3.559 1.00 0.00 C ATOM 681 CG PHE A 46 -6.280 -9.170 2.124 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.265 -10.107 1.104 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.193 -7.827 1.796 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.167 -9.713 -0.217 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.096 -7.426 0.477 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.081 -8.371 -0.530 1.00 0.00 C ATOM 0 H PHE A 46 -8.631 -8.567 3.275 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.706 -11.285 3.336 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.310 -8.724 4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.544 -10.249 3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.331 -11.158 1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.201 -7.085 2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.158 -10.454 -1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.032 -6.376 0.234 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.002 -8.061 -1.561 1.00 0.00 H new ATOM 696 N GLU A 47 -8.781 -10.094 6.030 1.00 0.00 N ATOM 697 CA GLU A 47 -8.965 -10.301 7.461 1.00 0.00 C ATOM 698 C GLU A 47 -7.675 -10.013 8.223 1.00 0.00 C ATOM 699 O GLU A 47 -7.225 -10.823 9.034 1.00 0.00 O ATOM 700 CB GLU A 47 -9.423 -11.735 7.737 1.00 0.00 C ATOM 701 CG GLU A 47 -10.803 -12.050 7.185 1.00 0.00 C ATOM 702 CD GLU A 47 -11.290 -13.429 7.584 1.00 0.00 C ATOM 703 OE1 GLU A 47 -11.006 -14.396 6.846 1.00 0.00 O ATOM 704 OE2 GLU A 47 -11.955 -13.542 8.636 1.00 0.00 O ATOM 0 H GLU A 47 -9.491 -9.506 5.594 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.733 -9.609 7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.701 -12.428 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.424 -11.906 8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.512 -11.302 7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.781 -11.977 6.098 1.00 0.00 H new ATOM 711 N VAL A 48 -7.083 -8.852 7.956 1.00 0.00 N ATOM 712 CA VAL A 48 -5.845 -8.456 8.615 1.00 0.00 C ATOM 713 C VAL A 48 -5.963 -7.058 9.212 1.00 0.00 C ATOM 714 O VAL A 48 -7.030 -6.445 9.175 1.00 0.00 O ATOM 715 CB VAL A 48 -4.654 -8.486 7.638 1.00 0.00 C ATOM 716 CG1 VAL A 48 -4.554 -9.843 6.958 1.00 0.00 C ATOM 717 CG2 VAL A 48 -4.782 -7.372 6.609 1.00 0.00 C ATOM 0 H VAL A 48 -7.442 -8.170 7.288 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.668 -9.176 9.414 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.737 -8.323 8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.707 -9.845 6.272 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.412 -10.618 7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.471 -10.040 6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.933 -7.408 5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.706 -7.502 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.799 -6.408 7.117 1.00 0.00 H new ATOM 727 N ASN A 49 -4.861 -6.560 9.761 1.00 0.00 N ATOM 728 CA ASN A 49 -4.841 -5.233 10.367 1.00 0.00 C ATOM 729 C ASN A 49 -3.724 -4.381 9.773 1.00 0.00 C ATOM 730 O ASN A 49 -2.552 -4.756 9.820 1.00 0.00 O ATOM 731 CB ASN A 49 -4.662 -5.344 11.882 1.00 0.00 C ATOM 732 CG ASN A 49 -5.898 -5.889 12.572 1.00 0.00 C ATOM 733 OD1 ASN A 49 -6.734 -6.542 11.948 1.00 0.00 O ATOM 734 ND2 ASN A 49 -6.019 -5.621 13.867 1.00 0.00 N ATOM 0 H ASN A 49 -3.970 -7.055 9.799 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.795 -4.750 10.155 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.813 -5.992 12.098 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.425 -4.361 12.290 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.830 -5.961 14.384 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.301 -5.076 14.344 1.00 0.00 H new ATOM 741 N ILE A 50 -4.096 -3.233 9.217 1.00 0.00 N ATOM 742 CA ILE A 50 -3.124 -2.326 8.615 1.00 0.00 C ATOM 743 C ILE A 50 -2.967 -1.059 9.448 1.00 0.00 C ATOM 744 O ILE A 50 -3.953 -0.456 9.874 1.00 0.00 O ATOM 745 CB ILE A 50 -3.530 -1.938 7.181 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.657 -3.187 6.308 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.517 -0.971 6.588 1.00 0.00 C ATOM 748 CD1 ILE A 50 -4.349 -2.933 4.987 1.00 0.00 C ATOM 0 H ILE A 50 -5.062 -2.908 9.170 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.173 -2.857 8.583 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.500 -1.442 7.215 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.662 -3.589 6.116 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.209 -3.950 6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.817 -0.706 5.574 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.472 -0.070 7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.535 -1.443 6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.404 -3.862 4.420 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.357 -2.560 5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.786 -2.194 4.418 1.00 0.00 H new ATOM 760 N HIS A 51 -1.720 -0.658 9.675 1.00 0.00 N ATOM 761 CA HIS A 51 -1.432 0.541 10.455 1.00 0.00 C ATOM 762 C HIS A 51 -0.589 1.524 9.649 1.00 0.00 C ATOM 763 O HIS A 51 0.294 1.125 8.891 1.00 0.00 O ATOM 764 CB HIS A 51 -0.707 0.171 11.749 1.00 0.00 C ATOM 765 CG HIS A 51 -1.631 -0.102 12.896 1.00 0.00 C ATOM 766 ND1 HIS A 51 -1.479 0.476 14.139 1.00 0.00 N ATOM 767 CD2 HIS A 51 -2.723 -0.897 12.983 1.00 0.00 C ATOM 768 CE1 HIS A 51 -2.437 0.048 14.941 1.00 0.00 C ATOM 769 NE2 HIS A 51 -3.206 -0.786 14.264 1.00 0.00 N ATOM 0 H HIS A 51 -0.893 -1.145 9.330 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.379 1.020 10.702 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.091 -0.711 11.571 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.032 0.982 12.022 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.137 -1.505 12.193 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -2.569 0.332 15.975 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.025 -1.269 14.633 1.00 0.00 H new ATOM 777 N VAL A 52 -0.869 2.813 9.818 1.00 0.00 N ATOM 778 CA VAL A 52 -0.138 3.853 9.106 1.00 0.00 C ATOM 779 C VAL A 52 0.504 4.837 10.078 1.00 0.00 C ATOM 780 O VAL A 52 -0.091 5.236 11.079 1.00 0.00 O ATOM 781 CB VAL A 52 -1.057 4.628 8.143 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.291 5.751 7.461 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.665 3.686 7.115 1.00 0.00 C ATOM 0 H VAL A 52 -1.597 3.161 10.442 1.00 0.00 H new ATOM 0 HA VAL A 52 0.641 3.353 8.530 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.868 5.072 8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.957 6.287 6.785 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.092 6.439 8.214 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.541 5.332 6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.312 4.250 6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.869 3.212 6.541 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.250 2.921 7.624 1.00 0.00 H new ATOM 793 N PRO A 53 1.749 5.238 9.780 1.00 0.00 N ATOM 794 CA PRO A 53 2.499 6.180 10.615 1.00 0.00 C ATOM 795 C PRO A 53 1.925 7.592 10.555 1.00 0.00 C ATOM 796 O PRO A 53 1.607 8.098 9.479 1.00 0.00 O ATOM 797 CB PRO A 53 3.905 6.149 10.010 1.00 0.00 C ATOM 798 CG PRO A 53 3.699 5.735 8.594 1.00 0.00 C ATOM 799 CD PRO A 53 2.519 4.802 8.602 1.00 0.00 C ATOM 0 HA PRO A 53 2.467 5.904 11.669 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.384 7.126 10.071 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.548 5.445 10.539 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.508 6.600 7.959 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.586 5.239 8.200 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.934 4.885 7.686 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.830 3.761 8.688 1.00 0.00 H new ATOM 807 N ALA A 54 1.796 8.222 11.718 1.00 0.00 N ATOM 808 CA ALA A 54 1.262 9.576 11.796 1.00 0.00 C ATOM 809 C ALA A 54 2.113 10.550 10.987 1.00 0.00 C ATOM 810 O ALA A 54 3.218 10.230 10.548 1.00 0.00 O ATOM 811 CB ALA A 54 1.178 10.027 13.248 1.00 0.00 C ATOM 0 H ALA A 54 2.054 7.817 12.618 1.00 0.00 H new ATOM 0 HA ALA A 54 0.259 9.569 11.369 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.778 11.040 13.292 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.523 9.354 13.801 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.173 10.011 13.692 1.00 0.00 H new ATOM 817 N PRO A 55 1.589 11.768 10.784 1.00 0.00 N ATOM 818 CA PRO A 55 2.284 12.812 10.027 1.00 0.00 C ATOM 819 C PRO A 55 3.502 13.352 10.768 1.00 0.00 C ATOM 820 O PRO A 55 4.453 13.832 10.150 1.00 0.00 O ATOM 821 CB PRO A 55 1.223 13.906 9.873 1.00 0.00 C ATOM 822 CG PRO A 55 0.299 13.701 11.024 1.00 0.00 C ATOM 823 CD PRO A 55 0.277 12.219 11.279 1.00 0.00 C ATOM 0 HA PRO A 55 2.671 12.438 9.079 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.672 14.899 9.897 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.697 13.817 8.922 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.645 14.243 11.904 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.700 14.072 10.794 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.149 11.995 12.338 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.542 11.732 10.749 1.00 0.00 H new ATOM 831 N GLU A 56 3.465 13.273 12.094 1.00 0.00 N ATOM 832 CA GLU A 56 4.567 13.756 12.918 1.00 0.00 C ATOM 833 C GLU A 56 5.811 12.893 12.722 1.00 0.00 C ATOM 834 O GLU A 56 6.938 13.391 12.759 1.00 0.00 O ATOM 835 CB GLU A 56 4.165 13.760 14.395 1.00 0.00 C ATOM 836 CG GLU A 56 4.168 12.381 15.031 1.00 0.00 C ATOM 837 CD GLU A 56 3.565 12.377 16.422 1.00 0.00 C ATOM 838 OE1 GLU A 56 2.471 12.953 16.595 1.00 0.00 O ATOM 839 OE2 GLU A 56 4.187 11.799 17.337 1.00 0.00 O ATOM 0 H GLU A 56 2.685 12.880 12.620 1.00 0.00 H new ATOM 0 HA GLU A 56 4.799 14.775 12.609 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.847 14.407 14.947 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.169 14.193 14.490 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.612 11.691 14.396 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.192 12.011 15.082 1.00 0.00 H new ATOM 846 N LEU A 57 5.600 11.598 12.514 1.00 0.00 N ATOM 847 CA LEU A 57 6.703 10.666 12.312 1.00 0.00 C ATOM 848 C LEU A 57 7.303 10.825 10.918 1.00 0.00 C ATOM 849 O LEU A 57 8.485 10.555 10.707 1.00 0.00 O ATOM 850 CB LEU A 57 6.223 9.227 12.511 1.00 0.00 C ATOM 851 CG LEU A 57 5.710 8.878 13.909 1.00 0.00 C ATOM 852 CD1 LEU A 57 5.089 7.490 13.918 1.00 0.00 C ATOM 853 CD2 LEU A 57 6.836 8.968 14.929 1.00 0.00 C ATOM 0 H LEU A 57 4.675 11.170 12.481 1.00 0.00 H new ATOM 0 HA LEU A 57 7.475 10.891 13.048 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.427 9.028 11.793 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.046 8.554 12.269 1.00 0.00 H new ATOM 0 HG LEU A 57 4.941 9.600 14.184 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.730 7.259 14.921 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.254 7.460 13.217 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.837 6.755 13.622 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.452 8.716 15.918 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.628 8.270 14.659 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.235 9.982 14.942 1.00 0.00 H new ATOM 865 N GLN A 58 6.481 11.268 9.973 1.00 0.00 N ATOM 866 CA GLN A 58 6.931 11.465 8.600 1.00 0.00 C ATOM 867 C GLN A 58 7.611 10.209 8.065 1.00 0.00 C ATOM 868 O GLN A 58 8.746 10.258 7.592 1.00 0.00 O ATOM 869 CB GLN A 58 7.894 12.652 8.522 1.00 0.00 C ATOM 870 CG GLN A 58 7.201 14.003 8.606 1.00 0.00 C ATOM 871 CD GLN A 58 8.083 15.140 8.129 1.00 0.00 C ATOM 872 OE1 GLN A 58 9.149 15.393 8.693 1.00 0.00 O ATOM 873 NE2 GLN A 58 7.641 15.835 7.087 1.00 0.00 N ATOM 0 H GLN A 58 5.500 11.497 10.133 1.00 0.00 H new ATOM 0 HA GLN A 58 6.056 11.674 7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.620 12.574 9.331 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.452 12.596 7.587 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.291 13.978 8.007 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.900 14.189 9.637 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.752 15.590 6.651 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.191 16.613 6.723 1.00 0.00 H new ATOM 882 N SER A 59 6.906 9.084 8.141 1.00 0.00 N ATOM 883 CA SER A 59 7.443 7.813 7.668 1.00 0.00 C ATOM 884 C SER A 59 6.709 7.347 6.415 1.00 0.00 C ATOM 885 O SER A 59 5.530 7.646 6.224 1.00 0.00 O ATOM 886 CB SER A 59 7.334 6.749 8.762 1.00 0.00 C ATOM 887 OG SER A 59 8.291 5.722 8.572 1.00 0.00 O ATOM 0 H SER A 59 5.963 9.027 8.525 1.00 0.00 H new ATOM 0 HA SER A 59 8.494 7.961 7.419 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.481 7.211 9.738 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.331 6.321 8.759 1.00 0.00 H new ATOM 0 HG SER A 59 8.202 5.056 9.285 1.00 0.00 H new ATOM 893 N ASP A 60 7.414 6.612 5.562 1.00 0.00 N ATOM 894 CA ASP A 60 6.831 6.103 4.326 1.00 0.00 C ATOM 895 C ASP A 60 6.765 4.579 4.345 1.00 0.00 C ATOM 896 O ASP A 60 6.771 3.935 3.295 1.00 0.00 O ATOM 897 CB ASP A 60 7.644 6.575 3.120 1.00 0.00 C ATOM 898 CG ASP A 60 7.869 8.075 3.125 1.00 0.00 C ATOM 899 OD1 ASP A 60 6.872 8.824 3.067 1.00 0.00 O ATOM 900 OD2 ASP A 60 9.042 8.499 3.188 1.00 0.00 O ATOM 0 H ASP A 60 8.391 6.355 5.704 1.00 0.00 H new ATOM 0 HA ASP A 60 5.816 6.493 4.245 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.608 6.066 3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.127 6.291 2.203 1.00 0.00 H new ATOM 905 N ILE A 61 6.705 4.008 5.543 1.00 0.00 N ATOM 906 CA ILE A 61 6.638 2.561 5.698 1.00 0.00 C ATOM 907 C ILE A 61 5.392 2.147 6.474 1.00 0.00 C ATOM 908 O ILE A 61 5.225 2.513 7.638 1.00 0.00 O ATOM 909 CB ILE A 61 7.884 2.013 6.418 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.132 2.783 5.981 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.046 0.526 6.139 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.547 2.501 4.554 1.00 0.00 C ATOM 0 H ILE A 61 6.701 4.526 6.421 1.00 0.00 H new ATOM 0 HA ILE A 61 6.594 2.139 4.694 1.00 0.00 H new ATOM 0 HB ILE A 61 7.755 2.148 7.492 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.948 3.851 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.957 2.530 6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.931 0.153 6.655 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.166 -0.009 6.496 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.157 0.367 5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.438 3.081 4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.764 1.439 4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.739 2.780 3.878 1.00 0.00 H new ATOM 924 N ILE A 62 4.523 1.383 5.823 1.00 0.00 N ATOM 925 CA ILE A 62 3.293 0.918 6.453 1.00 0.00 C ATOM 926 C ILE A 62 3.474 -0.476 7.048 1.00 0.00 C ATOM 927 O ILE A 62 4.099 -1.344 6.440 1.00 0.00 O ATOM 928 CB ILE A 62 2.122 0.889 5.452 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.636 2.310 5.163 1.00 0.00 C ATOM 930 CG2 ILE A 62 0.986 0.034 5.991 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.568 2.377 4.094 1.00 0.00 C ATOM 0 H ILE A 62 4.647 1.072 4.859 1.00 0.00 H new ATOM 0 HA ILE A 62 3.060 1.624 7.250 1.00 0.00 H new ATOM 0 HB ILE A 62 2.471 0.447 4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.246 2.746 6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.485 2.920 4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.166 0.023 5.273 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.341 -0.984 6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.635 0.449 6.936 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.271 3.414 3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.960 1.971 3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.298 1.794 4.408 1.00 0.00 H new ATOM 943 N ALA A 63 2.920 -0.681 8.238 1.00 0.00 N ATOM 944 CA ALA A 63 3.016 -1.969 8.913 1.00 0.00 C ATOM 945 C ALA A 63 1.694 -2.727 8.841 1.00 0.00 C ATOM 946 O ALA A 63 0.633 -2.171 9.126 1.00 0.00 O ATOM 947 CB ALA A 63 3.437 -1.775 10.362 1.00 0.00 C ATOM 0 H ALA A 63 2.400 0.028 8.755 1.00 0.00 H new ATOM 0 HA ALA A 63 3.774 -2.563 8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.505 -2.745 10.854 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.409 -1.282 10.396 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.700 -1.158 10.876 1.00 0.00 H new ATOM 953 N ILE A 64 1.766 -3.997 8.457 1.00 0.00 N ATOM 954 CA ILE A 64 0.575 -4.830 8.348 1.00 0.00 C ATOM 955 C ILE A 64 0.693 -6.074 9.221 1.00 0.00 C ATOM 956 O ILE A 64 1.635 -6.857 9.084 1.00 0.00 O ATOM 957 CB ILE A 64 0.321 -5.261 6.892 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.279 -4.036 5.975 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.976 -6.050 6.792 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.250 -4.384 4.504 1.00 0.00 C ATOM 0 H ILE A 64 2.636 -4.471 8.216 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.265 -4.226 8.691 1.00 0.00 H new ATOM 0 HB ILE A 64 1.140 -5.904 6.570 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.602 -3.441 6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.150 -3.412 6.175 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.142 -6.348 5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.910 -6.939 7.419 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.806 -5.429 7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.221 -3.468 3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.144 -4.953 4.247 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.635 -4.982 4.289 1.00 0.00 H new ATOM 972 N THR A 65 -0.269 -6.253 10.121 1.00 0.00 N ATOM 973 CA THR A 65 -0.275 -7.404 11.016 1.00 0.00 C ATOM 974 C THR A 65 -1.211 -8.493 10.506 1.00 0.00 C ATOM 975 O THR A 65 -2.348 -8.219 10.126 1.00 0.00 O ATOM 976 CB THR A 65 -0.698 -7.004 12.442 1.00 0.00 C ATOM 977 OG1 THR A 65 0.132 -5.938 12.919 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.604 -8.191 13.388 1.00 0.00 C ATOM 0 H THR A 65 -1.055 -5.615 10.249 1.00 0.00 H new ATOM 0 HA THR A 65 0.744 -7.789 11.042 1.00 0.00 H new ATOM 0 HB THR A 65 -1.735 -6.669 12.409 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.042 -6.272 13.065 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.908 -7.884 14.389 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.260 -8.988 13.038 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.424 -8.553 13.416 1.00 0.00 H new ATOM 986 N GLY A 66 -0.725 -9.730 10.502 1.00 0.00 N ATOM 987 CA GLY A 66 -1.533 -10.843 10.038 1.00 0.00 C ATOM 988 C GLY A 66 -0.707 -12.086 9.766 1.00 0.00 C ATOM 989 O GLY A 66 0.524 -12.032 9.757 1.00 0.00 O ATOM 0 H GLY A 66 0.214 -9.982 10.812 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.293 -11.072 10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.057 -10.553 9.128 1.00 0.00 H new ATOM 993 N LEU A 67 -1.384 -13.207 9.548 1.00 0.00 N ATOM 994 CA LEU A 67 -0.706 -14.469 9.277 1.00 0.00 C ATOM 995 C LEU A 67 0.095 -14.390 7.981 1.00 0.00 C ATOM 996 O LEU A 67 -0.354 -13.803 6.998 1.00 0.00 O ATOM 997 CB LEU A 67 -1.722 -15.610 9.194 1.00 0.00 C ATOM 998 CG LEU A 67 -2.562 -15.853 10.448 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.652 -16.876 10.169 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.680 -16.311 11.600 1.00 0.00 C ATOM 0 H LEU A 67 -2.402 -13.268 9.554 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.016 -14.665 10.097 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.397 -15.409 8.362 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.187 -16.529 8.955 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.037 -14.914 10.732 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.240 -17.037 11.073 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.301 -16.509 9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.197 -17.817 9.860 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.295 -16.479 12.484 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.176 -17.238 11.326 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.936 -15.544 11.816 1.00 0.00 H new ATOM 1012 N ALA A 68 1.281 -14.989 7.988 1.00 0.00 N ATOM 1013 CA ALA A 68 2.143 -14.990 6.812 1.00 0.00 C ATOM 1014 C ALA A 68 1.324 -15.130 5.532 1.00 0.00 C ATOM 1015 O ALA A 68 1.561 -14.424 4.552 1.00 0.00 O ATOM 1016 CB ALA A 68 3.168 -16.110 6.909 1.00 0.00 C ATOM 0 H ALA A 68 1.667 -15.480 8.795 1.00 0.00 H new ATOM 0 HA ALA A 68 2.667 -14.035 6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.804 -16.098 6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.781 -15.966 7.799 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.654 -17.069 6.974 1.00 0.00 H new ATOM 1022 N ALA A 69 0.361 -16.045 5.548 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.493 -16.276 4.390 1.00 0.00 C ATOM 1024 C ALA A 69 -1.275 -15.019 4.024 1.00 0.00 C ATOM 1025 O ALA A 69 -1.271 -14.587 2.873 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.444 -17.433 4.658 1.00 0.00 C ATOM 0 H ALA A 69 0.153 -16.639 6.351 1.00 0.00 H new ATOM 0 HA ALA A 69 0.145 -16.533 3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.076 -17.594 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.869 -18.336 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.069 -17.198 5.520 1.00 0.00 H new ATOM 1032 N ASN A 70 -1.945 -14.436 5.014 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.733 -13.229 4.796 1.00 0.00 C ATOM 1034 C ASN A 70 -1.846 -12.076 4.334 1.00 0.00 C ATOM 1035 O ASN A 70 -2.131 -11.421 3.331 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.471 -12.837 6.077 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.159 -14.020 6.732 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.114 -15.139 6.221 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.800 -13.776 7.869 1.00 0.00 N ATOM 0 H ASN A 70 -1.957 -14.780 5.974 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.463 -13.439 4.014 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.764 -12.396 6.780 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.212 -12.071 5.847 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.281 -14.532 8.355 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.811 -12.832 8.256 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.769 -11.834 5.073 1.00 0.00 N ATOM 1047 CA LEU A 71 0.162 -10.761 4.741 1.00 0.00 C ATOM 1048 C LEU A 71 0.486 -10.764 3.249 1.00 0.00 C ATOM 1049 O LEU A 71 0.590 -9.708 2.624 1.00 0.00 O ATOM 1050 CB LEU A 71 1.450 -10.905 5.553 1.00 0.00 C ATOM 1051 CG LEU A 71 1.278 -11.009 7.069 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.542 -11.556 7.714 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.920 -9.653 7.660 1.00 0.00 C ATOM 0 H LEU A 71 -0.519 -12.366 5.906 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.313 -9.812 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.978 -11.793 5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.090 -10.049 5.338 1.00 0.00 H new ATOM 0 HG LEU A 71 0.461 -11.700 7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.400 -11.623 8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.755 -12.547 7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.378 -10.890 7.498 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.802 -9.746 8.740 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.715 -8.940 7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.014 -9.300 7.222 1.00 0.00 H new ATOM 1065 N ASP A 72 0.641 -11.956 2.686 1.00 0.00 N ATOM 1066 CA ASP A 72 0.950 -12.097 1.267 1.00 0.00 C ATOM 1067 C ASP A 72 -0.137 -11.459 0.409 1.00 0.00 C ATOM 1068 O ASP A 72 0.150 -10.658 -0.480 1.00 0.00 O ATOM 1069 CB ASP A 72 1.104 -13.574 0.901 1.00 0.00 C ATOM 1070 CG ASP A 72 2.525 -14.070 1.084 1.00 0.00 C ATOM 1071 OD1 ASP A 72 2.999 -14.102 2.239 1.00 0.00 O ATOM 1072 OD2 ASP A 72 3.163 -14.428 0.072 1.00 0.00 O ATOM 0 H ASP A 72 0.558 -12.839 3.189 1.00 0.00 H new ATOM 0 HA ASP A 72 1.891 -11.582 1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.432 -14.170 1.518 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.801 -13.722 -0.136 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.388 -11.819 0.681 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.518 -11.284 -0.068 1.00 0.00 C ATOM 1079 C ARG A 73 -2.651 -9.779 0.150 1.00 0.00 C ATOM 1080 O ARG A 73 -2.750 -9.010 -0.804 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.812 -11.986 0.348 1.00 0.00 C ATOM 1082 CG ARG A 73 -3.605 -13.420 0.810 1.00 0.00 C ATOM 1083 CD ARG A 73 -4.821 -14.282 0.510 1.00 0.00 C ATOM 1084 NE ARG A 73 -4.589 -15.686 0.837 1.00 0.00 N ATOM 1085 CZ ARG A 73 -5.529 -16.623 0.765 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -6.757 -16.305 0.379 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -5.240 -17.880 1.079 1.00 0.00 N ATOM 0 H ARG A 73 -1.644 -12.479 1.415 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.338 -11.466 -1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.281 -11.418 1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.505 -11.981 -0.493 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.729 -13.840 0.316 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.404 -13.433 1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.676 -13.914 1.078 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.077 -14.193 -0.546 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.654 -15.963 1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.982 -15.340 0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.477 -17.025 0.324 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.296 -18.127 1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.962 -18.598 1.024 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.652 -9.368 1.414 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.771 -7.957 1.758 1.00 0.00 C ATOM 1103 C ALA A 74 -1.622 -7.148 1.164 1.00 0.00 C ATOM 1104 O ALA A 74 -1.836 -6.256 0.344 1.00 0.00 O ATOM 1105 CB ALA A 74 -2.815 -7.783 3.269 1.00 0.00 C ATOM 0 H ALA A 74 -2.572 -9.993 2.216 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.702 -7.583 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.904 -6.724 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.673 -8.321 3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.899 -8.180 3.708 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.403 -7.465 1.585 1.00 0.00 N ATOM 1112 CA LYS A 75 0.782 -6.769 1.095 1.00 0.00 C ATOM 1113 C LYS A 75 0.739 -6.626 -0.424 1.00 0.00 C ATOM 1114 O LYS A 75 1.134 -5.598 -0.971 1.00 0.00 O ATOM 1115 CB LYS A 75 2.049 -7.518 1.512 1.00 0.00 C ATOM 1116 CG LYS A 75 3.326 -6.736 1.268 1.00 0.00 C ATOM 1117 CD LYS A 75 4.541 -7.649 1.229 1.00 0.00 C ATOM 1118 CE LYS A 75 5.730 -6.967 0.570 1.00 0.00 C ATOM 1119 NZ LYS A 75 6.939 -7.837 0.570 1.00 0.00 N ATOM 0 H LYS A 75 -0.209 -8.200 2.265 1.00 0.00 H new ATOM 0 HA LYS A 75 0.796 -5.773 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.982 -7.766 2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.100 -8.460 0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.247 -6.194 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.454 -5.992 2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.807 -7.946 2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.295 -8.560 0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.474 -6.702 -0.456 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.952 -6.037 1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.727 -7.336 0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.199 -8.070 1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.736 -8.713 0.048 1.00 0.00 H new ATOM 1133 N ALA A 76 0.257 -7.666 -1.097 1.00 0.00 N ATOM 1134 CA ALA A 76 0.160 -7.654 -2.551 1.00 0.00 C ATOM 1135 C ALA A 76 -0.753 -6.531 -3.033 1.00 0.00 C ATOM 1136 O ALA A 76 -0.469 -5.872 -4.032 1.00 0.00 O ATOM 1137 CB ALA A 76 -0.343 -8.998 -3.057 1.00 0.00 C ATOM 0 H ALA A 76 -0.072 -8.526 -0.659 1.00 0.00 H new ATOM 0 HA ALA A 76 1.157 -7.475 -2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.411 -8.975 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.349 -9.783 -2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.328 -9.200 -2.636 1.00 0.00 H new ATOM 1143 N GLY A 77 -1.852 -6.318 -2.314 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.789 -5.275 -2.684 1.00 0.00 C ATOM 1145 C GLY A 77 -2.220 -3.884 -2.480 1.00 0.00 C ATOM 1146 O GLY A 77 -2.178 -3.080 -3.412 1.00 0.00 O ATOM 0 H GLY A 77 -2.109 -6.850 -1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.071 -5.399 -3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.699 -5.382 -2.093 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.780 -3.600 -1.258 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.211 -2.296 -0.934 1.00 0.00 C ATOM 1152 C LEU A 78 -0.194 -1.869 -1.987 1.00 0.00 C ATOM 1153 O LEU A 78 -0.299 -0.786 -2.565 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.551 -2.335 0.444 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.321 -0.982 1.117 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -1.646 -0.277 1.364 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.443 -1.157 2.420 1.00 0.00 C ATOM 0 H LEU A 78 -1.806 -4.255 -0.476 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.020 -1.566 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.168 -2.946 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.411 -2.839 0.350 1.00 0.00 H new ATOM 0 HG LEU A 78 0.278 -0.363 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.463 0.684 1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.156 -0.117 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.270 -0.892 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.597 -0.183 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.129 -1.794 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.409 -1.619 2.216 1.00 0.00 H new ATOM 1169 N LEU A 79 0.789 -2.728 -2.235 1.00 0.00 N ATOM 1170 CA LEU A 79 1.825 -2.441 -3.220 1.00 0.00 C ATOM 1171 C LEU A 79 1.216 -1.903 -4.511 1.00 0.00 C ATOM 1172 O LEU A 79 1.493 -0.774 -4.915 1.00 0.00 O ATOM 1173 CB LEU A 79 2.640 -3.702 -3.516 1.00 0.00 C ATOM 1174 CG LEU A 79 3.575 -4.173 -2.401 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.109 -5.564 -2.705 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.722 -3.189 -2.216 1.00 0.00 C ATOM 0 H LEU A 79 0.890 -3.629 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 79 2.484 -1.678 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.948 -4.511 -3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.235 -3.524 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 79 3.007 -4.218 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.772 -5.883 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.277 -6.263 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.661 -5.544 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.377 -3.540 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.289 -3.112 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.322 -2.210 -1.953 1.00 0.00 H new ATOM 1188 N GLU A 80 0.383 -2.718 -5.151 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.266 -2.322 -6.395 1.00 0.00 C ATOM 1190 C GLU A 80 -0.921 -0.950 -6.254 1.00 0.00 C ATOM 1191 O GLU A 80 -0.756 -0.081 -7.111 1.00 0.00 O ATOM 1192 CB GLU A 80 -1.314 -3.359 -6.802 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.722 -4.605 -7.439 1.00 0.00 C ATOM 1194 CD GLU A 80 -1.555 -5.845 -7.180 1.00 0.00 C ATOM 1195 OE1 GLU A 80 -2.031 -6.012 -6.038 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -1.732 -6.649 -8.120 1.00 0.00 O ATOM 0 H GLU A 80 0.142 -3.655 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 80 0.498 -2.264 -7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.887 -3.649 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.014 -2.901 -7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.632 -4.451 -8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.285 -4.762 -7.054 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.663 -0.763 -5.168 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.344 0.501 -4.916 1.00 0.00 C ATOM 1205 C ARG A 81 -1.398 1.679 -5.125 1.00 0.00 C ATOM 1206 O ARG A 81 -1.773 2.693 -5.715 1.00 0.00 O ATOM 1207 CB ARG A 81 -2.902 0.527 -3.491 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.152 1.380 -3.343 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.406 0.597 -3.704 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.585 1.456 -3.776 1.00 0.00 N ATOM 1211 CZ ARG A 81 -6.796 2.333 -4.751 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -5.913 2.467 -5.731 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -7.894 3.079 -4.747 1.00 0.00 N ATOM 0 H ARG A 81 -1.808 -1.471 -4.448 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.168 0.590 -5.624 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.129 -0.493 -3.180 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.134 0.903 -2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.229 1.740 -2.317 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.073 2.258 -3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.260 0.101 -4.663 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.572 -0.185 -2.963 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.284 1.378 -3.038 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.068 1.896 -5.738 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.079 3.142 -6.478 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.576 2.979 -3.995 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.056 3.752 -5.496 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.169 1.538 -4.639 1.00 0.00 N ATOM 1228 CA VAL A 82 0.832 2.590 -4.773 1.00 0.00 C ATOM 1229 C VAL A 82 1.351 2.676 -6.204 1.00 0.00 C ATOM 1230 O VAL A 82 1.659 3.760 -6.701 1.00 0.00 O ATOM 1231 CB VAL A 82 2.020 2.359 -3.820 1.00 0.00 C ATOM 1232 CG1 VAL A 82 3.108 3.394 -4.064 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.557 2.392 -2.373 1.00 0.00 C ATOM 0 H VAL A 82 0.158 0.705 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 82 0.343 3.528 -4.511 1.00 0.00 H new ATOM 0 HB VAL A 82 2.438 1.372 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.939 3.216 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.460 3.317 -5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.706 4.392 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.410 2.227 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.113 3.363 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.816 1.609 -2.210 1.00 0.00 H new ATOM 1243 N LYS A 83 1.443 1.526 -6.864 1.00 0.00 N ATOM 1244 CA LYS A 83 1.923 1.469 -8.239 1.00 0.00 C ATOM 1245 C LYS A 83 0.905 2.083 -9.196 1.00 0.00 C ATOM 1246 O LYS A 83 1.273 2.678 -10.208 1.00 0.00 O ATOM 1247 CB LYS A 83 2.209 0.021 -8.642 1.00 0.00 C ATOM 1248 CG LYS A 83 3.164 -0.694 -7.703 1.00 0.00 C ATOM 1249 CD LYS A 83 3.690 -1.981 -8.315 1.00 0.00 C ATOM 1250 CE LYS A 83 2.800 -3.167 -7.972 1.00 0.00 C ATOM 1251 NZ LYS A 83 1.725 -3.365 -8.984 1.00 0.00 N ATOM 0 H LYS A 83 1.191 0.620 -6.468 1.00 0.00 H new ATOM 0 HA LYS A 83 2.846 2.045 -8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.269 -0.529 -8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.626 0.008 -9.649 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.000 -0.037 -7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.655 -0.918 -6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.751 -1.872 -9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.702 -2.169 -7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.407 -4.070 -7.906 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.351 -3.012 -6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.363 -4.338 -8.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.951 -2.695 -8.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.110 -3.201 -9.936 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.374 1.933 -8.867 1.00 0.00 N ATOM 1266 CA GLU A 84 -1.444 2.474 -9.698 1.00 0.00 C ATOM 1267 C GLU A 84 -1.721 3.932 -9.345 1.00 0.00 C ATOM 1268 O GLU A 84 -1.740 4.801 -10.219 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.719 1.645 -9.529 1.00 0.00 C ATOM 1270 CG GLU A 84 -3.899 2.176 -10.326 1.00 0.00 C ATOM 1271 CD GLU A 84 -3.849 1.768 -11.785 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -3.735 0.555 -12.057 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -3.923 2.662 -12.654 1.00 0.00 O ATOM 0 H GLU A 84 -0.695 1.442 -8.032 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.123 2.425 -10.738 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.518 0.618 -9.834 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.987 1.617 -8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.826 1.812 -9.882 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.919 3.264 -10.257 1.00 0.00 H new ATOM 1280 N LEU A 85 -1.938 4.194 -8.062 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.215 5.548 -7.593 1.00 0.00 C ATOM 1282 C LEU A 85 -1.120 6.512 -8.035 1.00 0.00 C ATOM 1283 O LEU A 85 -1.402 7.577 -8.583 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.342 5.564 -6.068 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.586 4.889 -5.490 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.368 4.531 -4.028 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.802 5.790 -5.645 1.00 0.00 C ATOM 0 H LEU A 85 -1.928 3.487 -7.327 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.158 5.873 -8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.461 5.080 -5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.328 6.601 -5.733 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.768 3.969 -6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.264 4.052 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.523 3.848 -3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.161 5.437 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.678 5.293 -5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.630 6.727 -5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.970 5.996 -6.702 1.00 0.00 H new