USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=7 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= 0.195 USER MOD Set 1.2: A 65 THR OG1 : rot -73:sc= 0.207 USER MOD Single : A 28 HIS : no HE2:sc= -4.09! C(o=-4.1!,f=-5.6!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -135:sc= -0.707 (180deg=-1.44) USER MOD Single : A 43 MET CE :methyl -177:sc= -2.8! (180deg=-2.89!) USER MOD Single : A 49 ASN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.1) 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= -0.363 K(o=-0.36,f=-1.7) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 15 -0.369 -17.599 15.513 1.00 0.00 N ATOM 177 CA VAL A 15 -0.273 -16.168 15.775 1.00 0.00 C ATOM 178 C VAL A 15 0.216 -15.415 14.541 1.00 0.00 C ATOM 179 O VAL A 15 1.143 -15.840 13.852 1.00 0.00 O ATOM 180 CB VAL A 15 0.677 -15.875 16.951 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.056 -16.460 16.683 1.00 0.00 C ATOM 182 CG2 VAL A 15 0.766 -14.377 17.204 1.00 0.00 C ATOM 0 HA VAL A 15 -1.275 -15.826 16.033 1.00 0.00 H new ATOM 0 HB VAL A 15 0.275 -16.349 17.846 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.713 -16.243 17.525 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.975 -17.539 16.555 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.469 -16.017 15.777 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.442 -14.188 18.038 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.144 -13.879 16.311 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.224 -13.989 17.444 1.00 0.00 H new ATOM 192 N PRO A 16 -0.421 -14.269 14.257 1.00 0.00 N ATOM 193 CA PRO A 16 -0.068 -13.433 13.106 1.00 0.00 C ATOM 194 C PRO A 16 1.286 -12.751 13.279 1.00 0.00 C ATOM 195 O PRO A 16 1.952 -12.923 14.299 1.00 0.00 O ATOM 196 CB PRO A 16 -1.190 -12.392 13.068 1.00 0.00 C ATOM 197 CG PRO A 16 -1.687 -12.318 14.470 1.00 0.00 C ATOM 198 CD PRO A 16 -1.535 -13.703 15.036 1.00 0.00 C ATOM 0 HA PRO A 16 0.023 -14.016 12.190 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.821 -11.425 12.727 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.983 -12.690 12.382 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.114 -11.594 15.050 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.728 -11.997 14.499 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.309 -13.679 16.102 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.447 -14.288 14.917 1.00 0.00 H new ATOM 206 N VAL A 17 1.686 -11.978 12.275 1.00 0.00 N ATOM 207 CA VAL A 17 2.960 -11.270 12.315 1.00 0.00 C ATOM 208 C VAL A 17 2.864 -9.926 11.602 1.00 0.00 C ATOM 209 O VAL A 17 2.061 -9.752 10.684 1.00 0.00 O ATOM 210 CB VAL A 17 4.085 -12.101 11.673 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.555 -13.191 12.625 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.619 -12.699 10.354 1.00 0.00 C ATOM 0 H VAL A 17 1.146 -11.826 11.423 1.00 0.00 H new ATOM 0 HA VAL A 17 3.197 -11.104 13.366 1.00 0.00 H new ATOM 0 HB VAL A 17 4.929 -11.442 11.469 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.351 -13.768 12.153 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.931 -12.736 13.542 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.721 -13.851 12.863 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.427 -13.283 9.914 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.759 -13.345 10.531 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.337 -11.898 9.671 1.00 0.00 H new ATOM 222 N THR A 18 3.690 -8.975 12.029 1.00 0.00 N ATOM 223 CA THR A 18 3.698 -7.646 11.433 1.00 0.00 C ATOM 224 C THR A 18 4.758 -7.540 10.342 1.00 0.00 C ATOM 225 O THR A 18 5.869 -8.052 10.490 1.00 0.00 O ATOM 226 CB THR A 18 3.957 -6.556 12.490 1.00 0.00 C ATOM 227 OG1 THR A 18 2.945 -6.606 13.502 1.00 0.00 O ATOM 228 CG2 THR A 18 3.976 -5.176 11.853 1.00 0.00 C ATOM 0 H THR A 18 4.362 -9.102 12.786 1.00 0.00 H new ATOM 0 HA THR A 18 2.712 -7.490 10.996 1.00 0.00 H new ATOM 0 HB THR A 18 4.932 -6.743 12.941 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.117 -5.911 14.171 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.161 -4.424 12.620 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.766 -5.132 11.104 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.015 -4.981 11.378 1.00 0.00 H new ATOM 236 N ILE A 19 4.410 -6.872 9.247 1.00 0.00 N ATOM 237 CA ILE A 19 5.332 -6.699 8.132 1.00 0.00 C ATOM 238 C ILE A 19 5.557 -5.221 7.831 1.00 0.00 C ATOM 239 O ILE A 19 4.975 -4.350 8.477 1.00 0.00 O ATOM 240 CB ILE A 19 4.816 -7.397 6.860 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.446 -6.843 6.467 1.00 0.00 C ATOM 242 CG2 ILE A 19 4.743 -8.902 7.076 1.00 0.00 C ATOM 243 CD1 ILE A 19 3.076 -7.114 5.026 1.00 0.00 C ATOM 0 H ILE A 19 3.496 -6.442 9.109 1.00 0.00 H new ATOM 0 HA ILE A 19 6.276 -7.156 8.429 1.00 0.00 H new ATOM 0 HB ILE A 19 5.513 -7.199 6.046 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.687 -7.279 7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.435 -5.767 6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.377 -9.382 6.169 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.736 -9.284 7.313 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.064 -9.119 7.901 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.092 -6.693 4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.814 -6.655 4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.055 -8.190 4.852 1.00 0.00 H new ATOM 255 N GLU A 20 6.406 -4.946 6.845 1.00 0.00 N ATOM 256 CA GLU A 20 6.707 -3.573 6.457 1.00 0.00 C ATOM 257 C GLU A 20 6.553 -3.387 4.950 1.00 0.00 C ATOM 258 O GLU A 20 7.050 -4.190 4.160 1.00 0.00 O ATOM 259 CB GLU A 20 8.126 -3.199 6.886 1.00 0.00 C ATOM 260 CG GLU A 20 8.204 -2.605 8.283 1.00 0.00 C ATOM 261 CD GLU A 20 9.628 -2.481 8.786 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.144 -3.467 9.355 1.00 0.00 O ATOM 263 OE2 GLU A 20 10.229 -1.400 8.612 1.00 0.00 O ATOM 0 H GLU A 20 6.897 -5.656 6.301 1.00 0.00 H new ATOM 0 HA GLU A 20 5.998 -2.916 6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.756 -4.088 6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.535 -2.483 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.736 -1.620 8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.633 -3.228 8.971 1.00 0.00 H new ATOM 270 N VAL A 21 5.860 -2.322 4.559 1.00 0.00 N ATOM 271 CA VAL A 21 5.641 -2.029 3.147 1.00 0.00 C ATOM 272 C VAL A 21 6.159 -0.642 2.787 1.00 0.00 C ATOM 273 O VAL A 21 6.040 0.299 3.571 1.00 0.00 O ATOM 274 CB VAL A 21 4.147 -2.118 2.781 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.971 -2.194 1.273 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.502 -3.316 3.463 1.00 0.00 C ATOM 0 H VAL A 21 5.441 -1.648 5.200 1.00 0.00 H new ATOM 0 HA VAL A 21 6.192 -2.778 2.579 1.00 0.00 H new ATOM 0 HB VAL A 21 3.649 -1.216 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.910 -2.256 1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.395 -1.302 0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.482 -3.078 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.447 -3.364 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.000 -4.230 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.596 -3.213 4.544 1.00 0.00 H new ATOM 286 N GLU A 22 6.734 -0.522 1.594 1.00 0.00 N ATOM 287 CA GLU A 22 7.272 0.752 1.130 1.00 0.00 C ATOM 288 C GLU A 22 6.187 1.586 0.454 1.00 0.00 C ATOM 289 O GLU A 22 5.762 1.285 -0.662 1.00 0.00 O ATOM 290 CB GLU A 22 8.431 0.519 0.159 1.00 0.00 C ATOM 291 CG GLU A 22 9.739 0.167 0.848 1.00 0.00 C ATOM 292 CD GLU A 22 10.665 -0.644 -0.038 1.00 0.00 C ATOM 293 OE1 GLU A 22 10.173 -1.564 -0.724 1.00 0.00 O ATOM 294 OE2 GLU A 22 11.881 -0.359 -0.045 1.00 0.00 O ATOM 0 H GLU A 22 6.839 -1.291 0.932 1.00 0.00 H new ATOM 0 HA GLU A 22 7.640 1.300 1.998 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.163 -0.285 -0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.577 1.416 -0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.244 1.084 1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.527 -0.396 1.757 1.00 0.00 H new ATOM 301 N VAL A 23 5.743 2.635 1.137 1.00 0.00 N ATOM 302 CA VAL A 23 4.709 3.514 0.603 1.00 0.00 C ATOM 303 C VAL A 23 4.923 4.954 1.056 1.00 0.00 C ATOM 304 O VAL A 23 5.110 5.237 2.239 1.00 0.00 O ATOM 305 CB VAL A 23 3.304 3.055 1.037 1.00 0.00 C ATOM 306 CG1 VAL A 23 2.263 4.103 0.672 1.00 0.00 C ATOM 307 CG2 VAL A 23 2.964 1.712 0.408 1.00 0.00 C ATOM 0 H VAL A 23 6.083 2.898 2.062 1.00 0.00 H new ATOM 0 HA VAL A 23 4.781 3.464 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 23 3.299 2.934 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.277 3.761 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.499 5.041 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.266 4.259 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.968 1.403 0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.987 1.803 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.693 0.967 0.725 1.00 0.00 H new ATOM 317 N PRO A 24 4.897 5.887 0.093 1.00 0.00 N ATOM 318 CA PRO A 24 5.085 7.314 0.368 1.00 0.00 C ATOM 319 C PRO A 24 3.907 7.920 1.122 1.00 0.00 C ATOM 320 O PRO A 24 2.749 7.651 0.804 1.00 0.00 O ATOM 321 CB PRO A 24 5.201 7.932 -1.029 1.00 0.00 C ATOM 322 CG PRO A 24 4.469 6.990 -1.922 1.00 0.00 C ATOM 323 CD PRO A 24 4.679 5.620 -1.339 1.00 0.00 C ATOM 0 HA PRO A 24 5.952 7.496 1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.761 8.929 -1.059 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.243 8.035 -1.331 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.408 7.238 -1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.850 7.043 -2.942 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.813 4.978 -1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.536 5.119 -1.789 1.00 0.00 H new ATOM 331 N PHE A 25 4.210 8.738 2.123 1.00 0.00 N ATOM 332 CA PHE A 25 3.175 9.383 2.925 1.00 0.00 C ATOM 333 C PHE A 25 2.286 10.266 2.055 1.00 0.00 C ATOM 334 O PHE A 25 1.222 10.710 2.487 1.00 0.00 O ATOM 335 CB PHE A 25 3.809 10.217 4.039 1.00 0.00 C ATOM 336 CG PHE A 25 2.822 10.694 5.067 1.00 0.00 C ATOM 337 CD1 PHE A 25 2.020 11.795 4.817 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.698 10.040 6.282 1.00 0.00 C ATOM 339 CE1 PHE A 25 1.110 12.235 5.760 1.00 0.00 C ATOM 340 CE2 PHE A 25 1.791 10.476 7.229 1.00 0.00 C ATOM 341 CZ PHE A 25 0.996 11.575 6.968 1.00 0.00 C ATOM 0 H PHE A 25 5.164 8.971 2.399 1.00 0.00 H new ATOM 0 HA PHE A 25 2.557 8.604 3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.578 9.624 4.533 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.307 11.080 3.597 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.106 12.316 3.875 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.317 9.180 6.491 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.489 13.094 5.552 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.704 9.958 8.173 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.287 11.918 7.707 1.00 0.00 H new ATOM 351 N ASP A 26 2.730 10.518 0.829 1.00 0.00 N ATOM 352 CA ASP A 26 1.974 11.348 -0.103 1.00 0.00 C ATOM 353 C ASP A 26 0.759 10.597 -0.637 1.00 0.00 C ATOM 354 O ASP A 26 -0.117 11.185 -1.273 1.00 0.00 O ATOM 355 CB ASP A 26 2.868 11.790 -1.263 1.00 0.00 C ATOM 356 CG ASP A 26 4.156 12.434 -0.790 1.00 0.00 C ATOM 357 OD1 ASP A 26 4.165 13.667 -0.587 1.00 0.00 O ATOM 358 OD2 ASP A 26 5.156 11.705 -0.621 1.00 0.00 O ATOM 0 H ASP A 26 3.609 10.160 0.457 1.00 0.00 H new ATOM 0 HA ASP A 26 1.625 12.230 0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.104 10.927 -1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.322 12.495 -1.890 1.00 0.00 H new ATOM 363 N LEU A 27 0.713 9.295 -0.377 1.00 0.00 N ATOM 364 CA LEU A 27 -0.395 8.462 -0.833 1.00 0.00 C ATOM 365 C LEU A 27 -1.267 8.027 0.340 1.00 0.00 C ATOM 366 O LEU A 27 -2.445 7.712 0.169 1.00 0.00 O ATOM 367 CB LEU A 27 0.136 7.233 -1.573 1.00 0.00 C ATOM 368 CG LEU A 27 0.855 7.504 -2.895 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.569 6.253 -3.380 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.129 8.001 -3.944 1.00 0.00 C ATOM 0 H LEU A 27 1.430 8.793 0.147 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.005 9.053 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.822 6.704 -0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.700 6.562 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 27 1.601 8.281 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.075 6.465 -4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.302 5.941 -2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.842 5.454 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.400 8.189 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.898 7.246 -4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.594 8.924 -3.598 1.00 0.00 H new ATOM 382 N HIS A 28 -0.680 8.011 1.534 1.00 0.00 N ATOM 383 CA HIS A 28 -1.405 7.617 2.737 1.00 0.00 C ATOM 384 C HIS A 28 -2.810 8.213 2.745 1.00 0.00 C ATOM 385 O HIS A 28 -3.803 7.486 2.790 1.00 0.00 O ATOM 386 CB HIS A 28 -0.643 8.062 3.985 1.00 0.00 C ATOM 387 CG HIS A 28 0.641 7.320 4.199 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.347 7.364 5.382 1.00 0.00 N ATOM 389 CD2 HIS A 28 1.345 6.512 3.372 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.430 6.616 5.274 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.452 6.087 4.064 1.00 0.00 N ATOM 0 H HIS A 28 0.295 8.266 1.693 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.491 6.530 2.740 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.429 9.128 3.909 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.281 7.927 4.858 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.075 7.892 6.211 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.084 6.250 2.357 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.172 6.463 6.044 1.00 0.00 H new ATOM 399 N ARG A 29 -2.885 9.539 2.701 1.00 0.00 N ATOM 400 CA ARG A 29 -4.168 10.231 2.705 1.00 0.00 C ATOM 401 C ARG A 29 -5.136 9.591 1.715 1.00 0.00 C ATOM 402 O ARG A 29 -6.349 9.604 1.919 1.00 0.00 O ATOM 403 CB ARG A 29 -3.975 11.709 2.361 1.00 0.00 C ATOM 404 CG ARG A 29 -3.123 11.941 1.125 1.00 0.00 C ATOM 405 CD ARG A 29 -3.118 13.406 0.717 1.00 0.00 C ATOM 406 NE ARG A 29 -2.090 14.167 1.421 1.00 0.00 N ATOM 407 CZ ARG A 29 -1.906 15.474 1.264 1.00 0.00 C ATOM 408 NH1 ARG A 29 -2.678 16.160 0.433 1.00 0.00 N ATOM 409 NH2 ARG A 29 -0.949 16.096 1.941 1.00 0.00 N ATOM 0 H ARG A 29 -2.073 10.155 2.662 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.592 10.149 3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.952 12.168 2.210 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.513 12.213 3.210 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.102 11.613 1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.501 11.335 0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.953 13.482 -0.358 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.096 13.842 0.921 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.480 13.669 2.069 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.415 15.685 -0.088 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.535 17.163 0.314 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.354 15.571 2.582 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.808 17.099 1.820 1.00 0.00 H new ATOM 423 N TYR A 30 -4.590 9.030 0.641 1.00 0.00 N ATOM 424 CA TYR A 30 -5.405 8.387 -0.383 1.00 0.00 C ATOM 425 C TYR A 30 -5.684 6.930 -0.021 1.00 0.00 C ATOM 426 O TYR A 30 -6.733 6.384 -0.362 1.00 0.00 O ATOM 427 CB TYR A 30 -4.706 8.461 -1.741 1.00 0.00 C ATOM 428 CG TYR A 30 -4.277 9.859 -2.126 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.093 10.953 -1.867 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.055 10.084 -2.748 1.00 0.00 C ATOM 431 CE1 TYR A 30 -4.705 12.232 -2.217 1.00 0.00 C ATOM 432 CE2 TYR A 30 -2.659 11.360 -3.101 1.00 0.00 C ATOM 433 CZ TYR A 30 -3.487 12.431 -2.834 1.00 0.00 C ATOM 434 OH TYR A 30 -3.096 13.702 -3.183 1.00 0.00 O ATOM 0 H TYR A 30 -3.587 9.008 0.457 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.356 8.917 -0.441 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.830 7.813 -1.725 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.377 8.072 -2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.047 10.801 -1.384 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.404 9.248 -2.959 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.352 13.072 -2.009 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.706 11.518 -3.584 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.213 13.668 -3.607 1.00 0.00 H new ATOM 444 N VAL A 31 -4.737 6.309 0.674 1.00 0.00 N ATOM 445 CA VAL A 31 -4.881 4.917 1.085 1.00 0.00 C ATOM 446 C VAL A 31 -5.921 4.774 2.190 1.00 0.00 C ATOM 447 O VAL A 31 -6.831 3.951 2.098 1.00 0.00 O ATOM 448 CB VAL A 31 -3.541 4.336 1.577 1.00 0.00 C ATOM 449 CG1 VAL A 31 -3.744 2.943 2.154 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.523 4.313 0.447 1.00 0.00 C ATOM 0 H VAL A 31 -3.863 6.747 0.964 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.210 4.360 0.207 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.154 4.978 2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.788 2.548 2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.437 2.994 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.153 2.287 1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.583 3.900 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.898 3.695 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.357 5.328 0.086 1.00 0.00 H new ATOM 460 N ILE A 32 -5.780 5.582 3.235 1.00 0.00 N ATOM 461 CA ILE A 32 -6.708 5.548 4.358 1.00 0.00 C ATOM 462 C ILE A 32 -8.136 5.831 3.900 1.00 0.00 C ATOM 463 O ILE A 32 -9.007 4.966 3.975 1.00 0.00 O ATOM 464 CB ILE A 32 -6.318 6.567 5.444 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.859 6.367 5.861 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.240 6.440 6.647 1.00 0.00 C ATOM 467 CD1 ILE A 32 -4.345 7.439 6.797 1.00 0.00 C ATOM 0 H ILE A 32 -5.031 6.269 3.327 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.655 4.544 4.779 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.425 7.571 5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.758 5.395 6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.234 6.346 4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.951 7.167 7.406 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.269 6.627 6.338 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.162 5.434 7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.305 7.233 7.050 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.414 8.411 6.309 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.945 7.446 7.707 1.00 0.00 H new ATOM 550 N ILE A 39 -9.044 1.577 3.541 1.00 0.00 N ATOM 551 CA ILE A 39 -8.236 0.502 4.104 1.00 0.00 C ATOM 552 C ILE A 39 -9.115 -0.569 4.742 1.00 0.00 C ATOM 553 O ILE A 39 -8.940 -1.761 4.488 1.00 0.00 O ATOM 554 CB ILE A 39 -7.248 1.034 5.159 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.150 1.862 4.489 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.644 -0.118 5.948 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.124 2.404 5.460 1.00 0.00 C ATOM 0 HA ILE A 39 -7.674 0.064 3.279 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.790 1.677 5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.645 1.246 3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.609 2.694 3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.948 0.274 6.689 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.438 -0.670 6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.113 -0.785 5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.376 2.981 4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.617 3.047 6.189 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.638 1.576 5.976 1.00 0.00 H new ATOM 569 N ARG A 40 -10.062 -0.136 5.568 1.00 0.00 N ATOM 570 CA ARG A 40 -10.968 -1.058 6.241 1.00 0.00 C ATOM 571 C ARG A 40 -11.425 -2.162 5.292 1.00 0.00 C ATOM 572 O ARG A 40 -11.496 -3.331 5.670 1.00 0.00 O ATOM 573 CB ARG A 40 -12.183 -0.304 6.787 1.00 0.00 C ATOM 574 CG ARG A 40 -11.994 0.214 8.202 1.00 0.00 C ATOM 575 CD ARG A 40 -13.258 0.876 8.727 1.00 0.00 C ATOM 576 NE ARG A 40 -13.183 1.138 10.162 1.00 0.00 N ATOM 577 CZ ARG A 40 -14.236 1.459 10.906 1.00 0.00 C ATOM 578 NH1 ARG A 40 -15.437 1.557 10.354 1.00 0.00 N ATOM 579 NH2 ARG A 40 -14.088 1.682 12.206 1.00 0.00 N ATOM 0 H ARG A 40 -10.221 0.847 5.787 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.430 -1.516 7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.404 0.536 6.129 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.050 -0.964 6.764 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.715 -0.610 8.858 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.172 0.930 8.222 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.424 1.813 8.196 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.115 0.236 8.520 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.273 1.071 10.618 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.555 1.386 9.355 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.243 1.804 10.928 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.165 1.607 12.635 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.897 1.928 12.777 1.00 0.00 H new ATOM 593 N LYS A 41 -11.734 -1.782 4.056 1.00 0.00 N ATOM 594 CA LYS A 41 -12.183 -2.739 3.052 1.00 0.00 C ATOM 595 C LYS A 41 -11.246 -3.940 2.987 1.00 0.00 C ATOM 596 O LYS A 41 -11.683 -5.086 3.092 1.00 0.00 O ATOM 597 CB LYS A 41 -12.263 -2.067 1.679 1.00 0.00 C ATOM 598 CG LYS A 41 -12.752 -2.991 0.577 1.00 0.00 C ATOM 599 CD LYS A 41 -13.324 -2.210 -0.594 1.00 0.00 C ATOM 600 CE LYS A 41 -14.169 -3.096 -1.496 1.00 0.00 C ATOM 601 NZ LYS A 41 -13.329 -3.968 -2.361 1.00 0.00 N ATOM 0 H LYS A 41 -11.682 -0.818 3.726 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.175 -3.090 3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.930 -1.207 1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.277 -1.687 1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.927 -3.614 0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.514 -3.662 0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.931 -1.385 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.511 -1.771 -1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.826 -3.715 -0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.809 -2.473 -2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.942 -4.556 -2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.720 -3.377 -2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.737 -4.581 -1.765 1.00 0.00 H new ATOM 615 N MET A 42 -9.956 -3.671 2.817 1.00 0.00 N ATOM 616 CA MET A 42 -8.957 -4.731 2.742 1.00 0.00 C ATOM 617 C MET A 42 -8.849 -5.472 4.071 1.00 0.00 C ATOM 618 O MET A 42 -8.847 -6.701 4.108 1.00 0.00 O ATOM 619 CB MET A 42 -7.595 -4.152 2.355 1.00 0.00 C ATOM 620 CG MET A 42 -7.596 -3.435 1.015 1.00 0.00 C ATOM 621 SD MET A 42 -6.001 -3.517 0.181 1.00 0.00 S ATOM 622 CE MET A 42 -4.913 -2.914 1.469 1.00 0.00 C ATOM 0 H MET A 42 -9.578 -2.728 2.729 1.00 0.00 H new ATOM 0 HA MET A 42 -9.273 -5.439 1.976 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.272 -3.456 3.129 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.862 -4.958 2.325 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.360 -3.874 0.373 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.869 -2.391 1.167 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.213 -2.193 1.046 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.504 -2.432 2.248 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.359 -3.749 1.898 1.00 0.00 H new ATOM 632 N MET A 43 -8.760 -4.715 5.159 1.00 0.00 N ATOM 633 CA MET A 43 -8.653 -5.301 6.490 1.00 0.00 C ATOM 634 C MET A 43 -9.777 -6.302 6.735 1.00 0.00 C ATOM 635 O MET A 43 -9.638 -7.219 7.547 1.00 0.00 O ATOM 636 CB MET A 43 -8.689 -4.205 7.558 1.00 0.00 C ATOM 637 CG MET A 43 -7.425 -3.363 7.608 1.00 0.00 C ATOM 638 SD MET A 43 -7.332 -2.336 9.088 1.00 0.00 S ATOM 639 CE MET A 43 -8.847 -1.393 8.940 1.00 0.00 C ATOM 0 H MET A 43 -8.760 -3.695 5.146 1.00 0.00 H new ATOM 0 HA MET A 43 -7.701 -5.828 6.552 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.542 -3.554 7.370 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.848 -4.665 8.533 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.555 -4.018 7.570 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.383 -2.725 6.725 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.908 -0.672 9.755 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.855 -0.864 7.987 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.702 -2.068 8.987 1.00 0.00 H new ATOM 649 N ASP A 44 -10.888 -6.123 6.030 1.00 0.00 N ATOM 650 CA ASP A 44 -12.035 -7.012 6.171 1.00 0.00 C ATOM 651 C ASP A 44 -11.956 -8.163 5.172 1.00 0.00 C ATOM 652 O ASP A 44 -12.465 -9.253 5.428 1.00 0.00 O ATOM 653 CB ASP A 44 -13.337 -6.235 5.971 1.00 0.00 C ATOM 654 CG ASP A 44 -13.875 -5.662 7.267 1.00 0.00 C ATOM 655 OD1 ASP A 44 -14.527 -6.413 8.021 1.00 0.00 O ATOM 656 OD2 ASP A 44 -13.644 -4.463 7.526 1.00 0.00 O ATOM 0 H ASP A 44 -11.019 -5.370 5.355 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.020 -7.427 7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.168 -5.425 5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.085 -6.893 5.530 1.00 0.00 H new ATOM 661 N GLU A 45 -11.314 -7.911 4.036 1.00 0.00 N ATOM 662 CA GLU A 45 -11.170 -8.926 3.000 1.00 0.00 C ATOM 663 C GLU A 45 -10.060 -9.911 3.353 1.00 0.00 C ATOM 664 O GLU A 45 -10.282 -11.121 3.408 1.00 0.00 O ATOM 665 CB GLU A 45 -10.874 -8.270 1.650 1.00 0.00 C ATOM 666 CG GLU A 45 -10.599 -9.266 0.535 1.00 0.00 C ATOM 667 CD GLU A 45 -11.870 -9.818 -0.080 1.00 0.00 C ATOM 668 OE1 GLU A 45 -12.886 -9.092 -0.096 1.00 0.00 O ATOM 669 OE2 GLU A 45 -11.848 -10.977 -0.546 1.00 0.00 O ATOM 0 H GLU A 45 -10.886 -7.013 3.810 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.110 -9.474 2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.721 -7.645 1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.013 -7.611 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.005 -8.783 -0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.002 -10.089 0.927 1.00 0.00 H new ATOM 676 N PHE A 46 -8.863 -9.384 3.592 1.00 0.00 N ATOM 677 CA PHE A 46 -7.717 -10.216 3.939 1.00 0.00 C ATOM 678 C PHE A 46 -7.742 -10.587 5.419 1.00 0.00 C ATOM 679 O PHE A 46 -6.937 -11.395 5.880 1.00 0.00 O ATOM 680 CB PHE A 46 -6.413 -9.489 3.605 1.00 0.00 C ATOM 681 CG PHE A 46 -6.279 -9.138 2.151 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.075 -10.126 1.201 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.355 -7.818 1.734 1.00 0.00 C ATOM 684 CE1 PHE A 46 -5.952 -9.806 -0.138 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.233 -7.492 0.396 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.029 -8.486 -0.541 1.00 0.00 C ATOM 0 H PHE A 46 -8.662 -8.385 3.552 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.774 -11.133 3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.353 -8.576 4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.571 -10.116 3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.011 -11.159 1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.511 -7.036 2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.796 -10.586 -0.868 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.297 -6.460 0.084 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.930 -8.233 -1.586 1.00 0.00 H new ATOM 696 N GLU A 47 -8.669 -9.986 6.157 1.00 0.00 N ATOM 697 CA GLU A 47 -8.798 -10.252 7.586 1.00 0.00 C ATOM 698 C GLU A 47 -7.531 -9.842 8.331 1.00 0.00 C ATOM 699 O GLU A 47 -7.206 -10.399 9.380 1.00 0.00 O ATOM 700 CB GLU A 47 -9.088 -11.734 7.828 1.00 0.00 C ATOM 701 CG GLU A 47 -10.455 -12.175 7.333 1.00 0.00 C ATOM 702 CD GLU A 47 -10.911 -13.478 7.962 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.503 -14.550 7.469 1.00 0.00 O ATOM 704 OE2 GLU A 47 -11.676 -13.425 8.949 1.00 0.00 O ATOM 0 H GLU A 47 -9.341 -9.312 5.790 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.631 -9.660 7.966 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.322 -12.331 7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.013 -11.941 8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.185 -11.396 7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.425 -12.290 6.249 1.00 0.00 H new ATOM 711 N VAL A 48 -6.818 -8.864 7.781 1.00 0.00 N ATOM 712 CA VAL A 48 -5.587 -8.379 8.393 1.00 0.00 C ATOM 713 C VAL A 48 -5.788 -7.001 9.013 1.00 0.00 C ATOM 714 O VAL A 48 -6.898 -6.473 9.032 1.00 0.00 O ATOM 715 CB VAL A 48 -4.441 -8.305 7.366 1.00 0.00 C ATOM 716 CG1 VAL A 48 -4.215 -9.662 6.719 1.00 0.00 C ATOM 717 CG2 VAL A 48 -4.737 -7.246 6.314 1.00 0.00 C ATOM 0 H VAL A 48 -7.072 -8.392 6.913 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.320 -9.091 9.174 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.527 -8.022 7.887 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.402 -9.590 5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.955 -10.392 7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.125 -9.979 6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.917 -7.207 5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.662 -7.497 5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.844 -6.274 6.796 1.00 0.00 H new ATOM 727 N ASN A 49 -4.705 -6.423 9.522 1.00 0.00 N ATOM 728 CA ASN A 49 -4.761 -5.106 10.145 1.00 0.00 C ATOM 729 C ASN A 49 -3.636 -4.213 9.633 1.00 0.00 C ATOM 730 O ASN A 49 -2.460 -4.465 9.899 1.00 0.00 O ATOM 731 CB ASN A 49 -4.673 -5.234 11.667 1.00 0.00 C ATOM 732 CG ASN A 49 -5.915 -5.865 12.268 1.00 0.00 C ATOM 733 OD1 ASN A 49 -5.856 -6.950 12.846 1.00 0.00 O ATOM 734 ND2 ASN A 49 -7.048 -5.186 12.131 1.00 0.00 N ATOM 0 H ASN A 49 -3.777 -6.847 9.515 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.714 -4.647 9.880 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.801 -5.834 11.928 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.523 -4.247 12.104 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.916 -5.561 12.513 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.050 -4.290 11.644 1.00 0.00 H new ATOM 741 N ILE A 50 -4.004 -3.169 8.898 1.00 0.00 N ATOM 742 CA ILE A 50 -3.026 -2.238 8.350 1.00 0.00 C ATOM 743 C ILE A 50 -2.891 -1.001 9.231 1.00 0.00 C ATOM 744 O ILE A 50 -3.886 -0.376 9.598 1.00 0.00 O ATOM 745 CB ILE A 50 -3.404 -1.799 6.923 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.436 -3.009 5.986 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.422 -0.754 6.413 1.00 0.00 C ATOM 748 CD1 ILE A 50 -3.833 -2.664 4.567 1.00 0.00 C ATOM 0 H ILE A 50 -4.973 -2.947 8.668 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.072 -2.765 8.319 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.399 -1.354 6.947 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.451 -3.477 5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.135 -3.746 6.381 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.702 -0.454 5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.443 0.116 7.069 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.417 -1.175 6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.834 -3.569 3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.830 -2.224 4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.121 -1.950 4.153 1.00 0.00 H new ATOM 760 N HIS A 51 -1.653 -0.651 9.566 1.00 0.00 N ATOM 761 CA HIS A 51 -1.387 0.514 10.402 1.00 0.00 C ATOM 762 C HIS A 51 -0.515 1.525 9.665 1.00 0.00 C ATOM 763 O HIS A 51 0.529 1.174 9.114 1.00 0.00 O ATOM 764 CB HIS A 51 -0.705 0.089 11.704 1.00 0.00 C ATOM 765 CG HIS A 51 -1.668 -0.246 12.802 1.00 0.00 C ATOM 766 ND1 HIS A 51 -1.330 -1.031 13.884 1.00 0.00 N ATOM 767 CD2 HIS A 51 -2.963 0.104 12.982 1.00 0.00 C ATOM 768 CE1 HIS A 51 -2.378 -1.151 14.681 1.00 0.00 C ATOM 769 NE2 HIS A 51 -3.381 -0.472 14.156 1.00 0.00 N ATOM 0 H HIS A 51 -0.818 -1.158 9.271 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.341 0.986 10.637 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.074 -0.778 11.508 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.049 0.892 12.040 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.557 0.721 12.324 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -2.408 -1.710 15.605 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.315 -0.389 14.557 1.00 0.00 H new ATOM 777 N VAL A 52 -0.951 2.781 9.656 1.00 0.00 N ATOM 778 CA VAL A 52 -0.210 3.843 8.987 1.00 0.00 C ATOM 779 C VAL A 52 0.395 4.812 9.996 1.00 0.00 C ATOM 780 O VAL A 52 -0.231 5.185 10.989 1.00 0.00 O ATOM 781 CB VAL A 52 -1.109 4.628 8.014 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.342 5.783 7.390 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.665 3.704 6.939 1.00 0.00 C ATOM 0 H VAL A 52 -1.814 3.088 10.105 1.00 0.00 H new ATOM 0 HA VAL A 52 0.590 3.363 8.424 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.947 5.042 8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.994 6.325 6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.002 6.457 8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.517 5.396 6.842 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.298 4.275 6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.842 3.259 6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.254 2.915 7.407 1.00 0.00 H new ATOM 793 N PRO A 53 1.643 5.233 9.738 1.00 0.00 N ATOM 794 CA PRO A 53 2.360 6.166 10.612 1.00 0.00 C ATOM 795 C PRO A 53 1.771 7.572 10.567 1.00 0.00 C ATOM 796 O PRO A 53 1.473 8.095 9.493 1.00 0.00 O ATOM 797 CB PRO A 53 3.781 6.162 10.045 1.00 0.00 C ATOM 798 CG PRO A 53 3.618 5.776 8.616 1.00 0.00 C ATOM 799 CD PRO A 53 2.448 4.830 8.574 1.00 0.00 C ATOM 0 HA PRO A 53 2.304 5.869 11.659 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.248 7.143 10.139 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.417 5.454 10.576 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.434 6.652 7.994 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.521 5.298 8.235 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.887 4.926 7.645 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.768 3.791 8.647 1.00 0.00 H new ATOM 807 N ALA A 54 1.608 8.178 11.738 1.00 0.00 N ATOM 808 CA ALA A 54 1.057 9.525 11.830 1.00 0.00 C ATOM 809 C ALA A 54 1.878 10.511 11.007 1.00 0.00 C ATOM 810 O ALA A 54 2.990 10.216 10.568 1.00 0.00 O ATOM 811 CB ALA A 54 0.996 9.971 13.283 1.00 0.00 C ATOM 0 H ALA A 54 1.849 7.758 12.636 1.00 0.00 H new ATOM 0 HA ALA A 54 0.046 9.506 11.424 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.583 10.978 13.337 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.361 9.287 13.847 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.000 9.967 13.707 1.00 0.00 H new ATOM 817 N PRO A 55 1.318 11.711 10.789 1.00 0.00 N ATOM 818 CA PRO A 55 1.981 12.764 10.016 1.00 0.00 C ATOM 819 C PRO A 55 3.186 13.350 10.747 1.00 0.00 C ATOM 820 O PRO A 55 4.090 13.905 10.125 1.00 0.00 O ATOM 821 CB PRO A 55 0.889 13.825 9.852 1.00 0.00 C ATOM 822 CG PRO A 55 -0.025 13.609 11.008 1.00 0.00 C ATOM 823 CD PRO A 55 -0.004 12.130 11.281 1.00 0.00 C ATOM 0 HA PRO A 55 2.376 12.388 9.072 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.309 14.831 9.862 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.363 13.709 8.904 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.309 14.172 11.880 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.034 13.949 10.776 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.124 11.916 12.343 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.809 11.614 10.759 1.00 0.00 H new ATOM 831 N GLU A 56 3.189 13.220 12.070 1.00 0.00 N ATOM 832 CA GLU A 56 4.284 13.737 12.884 1.00 0.00 C ATOM 833 C GLU A 56 5.491 12.805 12.827 1.00 0.00 C ATOM 834 O GLU A 56 6.618 13.215 13.104 1.00 0.00 O ATOM 835 CB GLU A 56 3.829 13.912 14.335 1.00 0.00 C ATOM 836 CG GLU A 56 3.521 12.602 15.039 1.00 0.00 C ATOM 837 CD GLU A 56 3.484 12.746 16.548 1.00 0.00 C ATOM 838 OE1 GLU A 56 4.105 13.696 17.069 1.00 0.00 O ATOM 839 OE2 GLU A 56 2.834 11.909 17.209 1.00 0.00 O ATOM 0 H GLU A 56 2.448 12.762 12.600 1.00 0.00 H new ATOM 0 HA GLU A 56 4.577 14.707 12.482 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.606 14.439 14.889 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.940 14.543 14.355 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.560 12.223 14.690 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.273 11.862 14.767 1.00 0.00 H new ATOM 846 N LEU A 57 5.246 11.551 12.466 1.00 0.00 N ATOM 847 CA LEU A 57 6.312 10.560 12.372 1.00 0.00 C ATOM 848 C LEU A 57 7.075 10.703 11.060 1.00 0.00 C ATOM 849 O LEU A 57 8.246 10.332 10.967 1.00 0.00 O ATOM 850 CB LEU A 57 5.735 9.148 12.488 1.00 0.00 C ATOM 851 CG LEU A 57 5.045 8.812 13.810 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.260 7.514 13.687 1.00 0.00 C ATOM 853 CD2 LEU A 57 6.064 8.716 14.935 1.00 0.00 C ATOM 0 H LEU A 57 4.319 11.196 12.233 1.00 0.00 H new ATOM 0 HA LEU A 57 7.006 10.731 13.195 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.018 9.002 11.680 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.543 8.433 12.331 1.00 0.00 H new ATOM 0 HG LEU A 57 4.347 9.615 14.047 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.775 7.290 14.637 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.503 7.619 12.910 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.938 6.702 13.426 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.554 8.476 15.868 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.787 7.934 14.705 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.582 9.669 15.039 1.00 0.00 H new ATOM 865 N GLN A 58 6.406 11.246 10.047 1.00 0.00 N ATOM 866 CA GLN A 58 7.022 11.441 8.740 1.00 0.00 C ATOM 867 C GLN A 58 7.666 10.150 8.245 1.00 0.00 C ATOM 868 O GLN A 58 8.817 10.146 7.808 1.00 0.00 O ATOM 869 CB GLN A 58 8.069 12.553 8.807 1.00 0.00 C ATOM 870 CG GLN A 58 7.564 13.825 9.467 1.00 0.00 C ATOM 871 CD GLN A 58 8.687 14.761 9.870 1.00 0.00 C ATOM 872 OE1 GLN A 58 9.365 14.539 10.874 1.00 0.00 O ATOM 873 NE2 GLN A 58 8.891 15.814 9.088 1.00 0.00 N ATOM 0 H GLN A 58 5.437 11.559 10.107 1.00 0.00 H new ATOM 0 HA GLN A 58 6.241 11.730 8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.938 12.190 9.355 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.404 12.786 7.796 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.893 14.343 8.782 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.980 13.564 10.349 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.305 15.960 8.266 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.633 16.478 9.309 1.00 0.00 H new ATOM 882 N SER A 59 6.916 9.054 8.317 1.00 0.00 N ATOM 883 CA SER A 59 7.416 7.756 7.880 1.00 0.00 C ATOM 884 C SER A 59 6.739 7.323 6.583 1.00 0.00 C ATOM 885 O SER A 59 5.566 7.618 6.353 1.00 0.00 O ATOM 886 CB SER A 59 7.181 6.704 8.966 1.00 0.00 C ATOM 887 OG SER A 59 8.071 5.611 8.817 1.00 0.00 O ATOM 0 H SER A 59 5.961 9.040 8.674 1.00 0.00 H new ATOM 0 HA SER A 59 8.487 7.848 7.698 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.315 7.155 9.949 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.152 6.349 8.916 1.00 0.00 H new ATOM 0 HG SER A 59 7.902 4.953 9.524 1.00 0.00 H new ATOM 893 N ASP A 60 7.488 6.621 5.739 1.00 0.00 N ATOM 894 CA ASP A 60 6.962 6.146 4.465 1.00 0.00 C ATOM 895 C ASP A 60 6.871 4.623 4.448 1.00 0.00 C ATOM 896 O ASP A 60 6.822 4.006 3.384 1.00 0.00 O ATOM 897 CB ASP A 60 7.844 6.628 3.313 1.00 0.00 C ATOM 898 CG ASP A 60 8.150 8.111 3.400 1.00 0.00 C ATOM 899 OD1 ASP A 60 7.297 8.918 2.977 1.00 0.00 O ATOM 900 OD2 ASP A 60 9.244 8.464 3.889 1.00 0.00 O ATOM 0 H ASP A 60 8.461 6.369 5.914 1.00 0.00 H new ATOM 0 HA ASP A 60 5.959 6.554 4.340 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.778 6.066 3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.347 6.417 2.366 1.00 0.00 H new ATOM 905 N ILE A 61 6.851 4.024 5.634 1.00 0.00 N ATOM 906 CA ILE A 61 6.765 2.574 5.756 1.00 0.00 C ATOM 907 C ILE A 61 5.522 2.159 6.535 1.00 0.00 C ATOM 908 O ILE A 61 5.386 2.473 7.718 1.00 0.00 O ATOM 909 CB ILE A 61 8.011 1.993 6.451 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.270 2.731 5.989 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.130 0.503 6.169 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.657 2.426 4.559 1.00 0.00 C ATOM 0 H ILE A 61 6.893 4.520 6.524 1.00 0.00 H new ATOM 0 HA ILE A 61 6.704 2.176 4.743 1.00 0.00 H new ATOM 0 HB ILE A 61 7.906 2.131 7.527 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.111 3.804 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.099 2.466 6.646 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.015 0.108 6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.244 -0.010 6.543 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.216 0.342 5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.557 2.983 4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.848 1.358 4.454 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.845 2.717 3.892 1.00 0.00 H new ATOM 924 N ILE A 62 4.620 1.451 5.866 1.00 0.00 N ATOM 925 CA ILE A 62 3.389 0.991 6.497 1.00 0.00 C ATOM 926 C ILE A 62 3.570 -0.396 7.106 1.00 0.00 C ATOM 927 O ILE A 62 4.238 -1.255 6.532 1.00 0.00 O ATOM 928 CB ILE A 62 2.223 0.950 5.492 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.782 2.370 5.132 1.00 0.00 C ATOM 930 CG2 ILE A 62 1.057 0.157 6.065 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.836 2.428 3.952 1.00 0.00 C ATOM 0 H ILE A 62 4.718 1.183 4.887 1.00 0.00 H new ATOM 0 HA ILE A 62 3.152 1.704 7.286 1.00 0.00 H new ATOM 0 HB ILE A 62 2.563 0.453 4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.298 2.822 5.998 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.664 2.971 4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.241 0.137 5.343 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.379 -0.863 6.276 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.715 0.628 6.987 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.565 3.465 3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.324 2.006 3.073 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.063 1.855 4.178 1.00 0.00 H new ATOM 943 N ALA A 63 2.966 -0.607 8.271 1.00 0.00 N ATOM 944 CA ALA A 63 3.056 -1.890 8.957 1.00 0.00 C ATOM 945 C ALA A 63 1.738 -2.652 8.873 1.00 0.00 C ATOM 946 O ALA A 63 0.680 -2.118 9.208 1.00 0.00 O ATOM 947 CB ALA A 63 3.458 -1.685 10.410 1.00 0.00 C ATOM 0 H ALA A 63 2.409 0.094 8.759 1.00 0.00 H new ATOM 0 HA ALA A 63 3.822 -2.486 8.460 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.521 -2.652 10.910 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.428 -1.190 10.453 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.713 -1.066 10.910 1.00 0.00 H new ATOM 953 N ILE A 64 1.808 -3.899 8.423 1.00 0.00 N ATOM 954 CA ILE A 64 0.619 -4.733 8.295 1.00 0.00 C ATOM 955 C ILE A 64 0.725 -5.979 9.169 1.00 0.00 C ATOM 956 O ILE A 64 1.724 -6.697 9.127 1.00 0.00 O ATOM 957 CB ILE A 64 0.387 -5.163 6.835 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.453 -3.949 5.906 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.953 -5.869 6.698 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.354 -4.304 4.439 1.00 0.00 C ATOM 0 H ILE A 64 2.676 -4.355 8.141 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.226 -4.130 8.626 1.00 0.00 H new ATOM 0 HB ILE A 64 1.174 -5.860 6.547 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.355 -3.263 6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.389 -3.419 6.081 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.103 -6.167 5.660 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.965 -6.753 7.335 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.753 -5.193 7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.408 -3.395 3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.177 -4.966 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.594 -4.807 4.250 1.00 0.00 H new ATOM 972 N THR A 65 -0.313 -6.229 9.960 1.00 0.00 N ATOM 973 CA THR A 65 -0.338 -7.388 10.844 1.00 0.00 C ATOM 974 C THR A 65 -1.252 -8.478 10.296 1.00 0.00 C ATOM 975 O THR A 65 -2.341 -8.196 9.795 1.00 0.00 O ATOM 976 CB THR A 65 -0.809 -7.004 12.260 1.00 0.00 C ATOM 977 OG1 THR A 65 -0.011 -5.928 12.766 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.719 -8.196 13.201 1.00 0.00 C ATOM 0 H THR A 65 -1.148 -5.645 10.007 1.00 0.00 H new ATOM 0 HA THR A 65 0.683 -7.766 10.898 1.00 0.00 H new ATOM 0 HB THR A 65 -1.850 -6.686 12.200 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.882 -6.262 12.993 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.056 -7.901 14.195 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.350 -9.003 12.828 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.314 -8.539 13.256 1.00 0.00 H new ATOM 986 N GLY A 66 -0.802 -9.726 10.393 1.00 0.00 N ATOM 987 CA GLY A 66 -1.593 -10.839 9.904 1.00 0.00 C ATOM 988 C GLY A 66 -0.760 -12.086 9.677 1.00 0.00 C ATOM 989 O GLY A 66 0.464 -12.056 9.809 1.00 0.00 O ATOM 0 H GLY A 66 0.096 -9.985 10.801 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.385 -11.060 10.619 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.077 -10.554 8.970 1.00 0.00 H new ATOM 993 N LEU A 67 -1.423 -13.185 9.337 1.00 0.00 N ATOM 994 CA LEU A 67 -0.737 -14.448 9.092 1.00 0.00 C ATOM 995 C LEU A 67 0.096 -14.379 7.816 1.00 0.00 C ATOM 996 O LEU A 67 -0.346 -13.833 6.805 1.00 0.00 O ATOM 997 CB LEU A 67 -1.749 -15.591 8.992 1.00 0.00 C ATOM 998 CG LEU A 67 -2.592 -15.852 10.241 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.719 -16.826 9.930 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.722 -16.383 11.370 1.00 0.00 C ATOM 0 H LEU A 67 -2.436 -13.227 9.225 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.067 -14.636 9.931 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.422 -15.382 8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.211 -16.506 8.744 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.033 -14.908 10.562 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.308 -17.000 10.830 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.358 -16.407 9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.299 -17.770 9.583 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.339 -16.563 12.251 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.252 -17.316 11.059 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.951 -15.651 11.610 1.00 0.00 H new ATOM 1012 N ALA A 68 1.301 -14.936 7.871 1.00 0.00 N ATOM 1013 CA ALA A 68 2.193 -14.941 6.718 1.00 0.00 C ATOM 1014 C ALA A 68 1.412 -15.113 5.420 1.00 0.00 C ATOM 1015 O ALA A 68 1.693 -14.448 4.423 1.00 0.00 O ATOM 1016 CB ALA A 68 3.234 -16.042 6.860 1.00 0.00 C ATOM 0 H ALA A 68 1.682 -15.390 8.701 1.00 0.00 H new ATOM 0 HA ALA A 68 2.702 -13.978 6.680 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.893 -16.034 5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.821 -15.873 7.763 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.735 -17.009 6.927 1.00 0.00 H new ATOM 1022 N ALA A 69 0.432 -16.010 5.439 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.390 -16.269 4.263 1.00 0.00 C ATOM 1024 C ALA A 69 -1.207 -15.039 3.883 1.00 0.00 C ATOM 1025 O ALA A 69 -1.297 -14.681 2.710 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.306 -17.458 4.511 1.00 0.00 C ATOM 0 H ALA A 69 0.188 -16.570 6.256 1.00 0.00 H new ATOM 0 HA ALA A 69 0.273 -16.503 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.914 -17.640 3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.705 -18.341 4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.956 -17.246 5.360 1.00 0.00 H new ATOM 1032 N ASN A 70 -1.801 -14.397 4.884 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.612 -13.206 4.653 1.00 0.00 C ATOM 1034 C ASN A 70 -1.742 -12.029 4.224 1.00 0.00 C ATOM 1035 O ASN A 70 -2.042 -11.346 3.244 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.392 -12.844 5.918 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.148 -14.026 6.491 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.298 -15.058 5.836 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.629 -13.883 7.721 1.00 0.00 N ATOM 0 H ASN A 70 -1.736 -14.681 5.862 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.315 -13.425 3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.702 -12.459 6.669 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.095 -12.043 5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.146 -14.646 8.158 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.481 -13.010 8.228 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.661 -11.799 4.962 1.00 0.00 N ATOM 1047 CA LEU A 71 0.254 -10.705 4.659 1.00 0.00 C ATOM 1048 C LEU A 71 0.612 -10.691 3.176 1.00 0.00 C ATOM 1049 O LEU A 71 0.660 -9.632 2.549 1.00 0.00 O ATOM 1050 CB LEU A 71 1.525 -10.829 5.500 1.00 0.00 C ATOM 1051 CG LEU A 71 1.321 -10.950 7.011 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.546 -11.567 7.668 1.00 0.00 C ATOM 1053 CD2 LEU A 71 1.016 -9.589 7.619 1.00 0.00 C ATOM 0 H LEU A 71 -0.397 -12.356 5.775 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.246 -9.768 4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.080 -11.703 5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.151 -9.958 5.307 1.00 0.00 H new ATOM 0 HG LEU A 71 0.469 -11.605 7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.382 -11.645 8.743 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.719 -12.560 7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.416 -10.938 7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.874 -9.695 8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.847 -8.910 7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.108 -9.186 7.171 1.00 0.00 H new ATOM 1065 N ASP A 72 0.860 -11.872 2.621 1.00 0.00 N ATOM 1066 CA ASP A 72 1.210 -11.996 1.211 1.00 0.00 C ATOM 1067 C ASP A 72 0.106 -11.428 0.325 1.00 0.00 C ATOM 1068 O ASP A 72 0.366 -10.619 -0.566 1.00 0.00 O ATOM 1069 CB ASP A 72 1.464 -13.461 0.853 1.00 0.00 C ATOM 1070 CG ASP A 72 2.914 -13.860 1.040 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.712 -13.652 0.103 1.00 0.00 O ATOM 1072 OD2 ASP A 72 3.252 -14.380 2.125 1.00 0.00 O ATOM 0 H ASP A 72 0.825 -12.757 3.126 1.00 0.00 H new ATOM 0 HA ASP A 72 2.122 -11.424 1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.832 -14.098 1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.173 -13.634 -0.183 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.127 -11.855 0.576 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.270 -11.391 -0.200 1.00 0.00 C ATOM 1079 C ARG A 73 -2.508 -9.900 0.020 1.00 0.00 C ATOM 1080 O ARG A 73 -2.543 -9.120 -0.930 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.526 -12.179 0.178 1.00 0.00 C ATOM 1082 CG ARG A 73 -3.237 -13.602 0.631 1.00 0.00 C ATOM 1083 CD ARG A 73 -4.392 -14.536 0.300 1.00 0.00 C ATOM 1084 NE ARG A 73 -3.955 -15.924 0.180 1.00 0.00 N ATOM 1085 CZ ARG A 73 -4.774 -16.930 -0.106 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -6.065 -16.703 -0.299 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -4.301 -18.166 -0.198 1.00 0.00 N ATOM 0 H ARG A 73 -1.360 -12.522 1.312 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.050 -11.555 -1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.050 -11.652 0.975 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.198 -12.209 -0.679 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.327 -13.961 0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.055 -13.613 1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.153 -14.461 1.077 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.858 -14.220 -0.634 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.967 -16.133 0.324 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.432 -15.754 -0.228 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.692 -17.477 -0.519 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.308 -18.344 -0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.931 -18.938 -0.418 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.670 -9.512 1.280 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.901 -8.115 1.627 1.00 0.00 C ATOM 1103 C ALA A 74 -1.779 -7.226 1.103 1.00 0.00 C ATOM 1104 O ALA A 74 -2.016 -6.305 0.320 1.00 0.00 O ATOM 1105 CB ALA A 74 -3.041 -7.961 3.134 1.00 0.00 C ATOM 0 H ALA A 74 -2.646 -10.146 2.079 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.830 -7.798 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.213 -6.913 3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.883 -8.558 3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.127 -8.302 3.621 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.556 -7.506 1.540 1.00 0.00 N ATOM 1112 CA LYS A 75 0.605 -6.733 1.116 1.00 0.00 C ATOM 1113 C LYS A 75 0.580 -6.496 -0.390 1.00 0.00 C ATOM 1114 O LYS A 75 0.835 -5.387 -0.859 1.00 0.00 O ATOM 1115 CB LYS A 75 1.895 -7.454 1.509 1.00 0.00 C ATOM 1116 CG LYS A 75 3.149 -6.624 1.290 1.00 0.00 C ATOM 1117 CD LYS A 75 4.399 -7.381 1.702 1.00 0.00 C ATOM 1118 CE LYS A 75 5.658 -6.583 1.401 1.00 0.00 C ATOM 1119 NZ LYS A 75 6.892 -7.329 1.779 1.00 0.00 N ATOM 0 H LYS A 75 -0.343 -8.264 2.189 1.00 0.00 H new ATOM 0 HA LYS A 75 0.570 -5.766 1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.837 -7.738 2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.975 -8.376 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.222 -6.344 0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.078 -5.699 1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.355 -7.605 2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.437 -8.335 1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.690 -6.343 0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.626 -5.637 1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.728 -6.751 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.874 -7.536 2.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.936 -8.220 1.245 1.00 0.00 H new ATOM 1133 N ALA A 76 0.271 -7.547 -1.144 1.00 0.00 N ATOM 1134 CA ALA A 76 0.209 -7.453 -2.598 1.00 0.00 C ATOM 1135 C ALA A 76 -0.780 -6.378 -3.036 1.00 0.00 C ATOM 1136 O ALA A 76 -0.558 -5.684 -4.028 1.00 0.00 O ATOM 1137 CB ALA A 76 -0.170 -8.798 -3.198 1.00 0.00 C ATOM 0 H ALA A 76 0.060 -8.473 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 76 1.197 -7.171 -2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.213 -8.713 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.576 -9.543 -2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.145 -9.103 -2.819 1.00 0.00 H new ATOM 1143 N GLY A 77 -1.874 -6.246 -2.292 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.880 -5.254 -2.621 1.00 0.00 C ATOM 1145 C GLY A 77 -2.358 -3.836 -2.502 1.00 0.00 C ATOM 1146 O GLY A 77 -2.534 -3.024 -3.410 1.00 0.00 O ATOM 0 H GLY A 77 -2.081 -6.809 -1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.234 -5.423 -3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.738 -5.378 -1.960 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.716 -3.536 -1.379 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.167 -2.205 -1.143 1.00 0.00 C ATOM 1152 C LEU A 78 -0.106 -1.861 -2.183 1.00 0.00 C ATOM 1153 O LEU A 78 -0.167 -0.813 -2.826 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.567 -2.121 0.261 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.543 -0.730 0.899 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -1.959 -0.220 1.119 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.226 -0.759 2.211 1.00 0.00 C ATOM 0 H LEU A 78 -1.562 -4.196 -0.617 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.980 -1.484 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.128 -2.789 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.455 -2.498 0.221 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.035 -0.047 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.923 0.770 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.477 -0.161 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.493 -0.903 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.233 0.238 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.254 -1.455 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.251 -1.081 2.025 1.00 0.00 H new ATOM 1169 N LEU A 79 0.867 -2.753 -2.345 1.00 0.00 N ATOM 1170 CA LEU A 79 1.943 -2.545 -3.309 1.00 0.00 C ATOM 1171 C LEU A 79 1.384 -2.129 -4.666 1.00 0.00 C ATOM 1172 O LEU A 79 1.783 -1.109 -5.226 1.00 0.00 O ATOM 1173 CB LEU A 79 2.774 -3.820 -3.456 1.00 0.00 C ATOM 1174 CG LEU A 79 3.683 -4.169 -2.276 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.332 -5.528 -2.485 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.742 -3.093 -2.082 1.00 0.00 C ATOM 0 H LEU A 79 0.933 -3.626 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 79 2.581 -1.743 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.094 -4.655 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.392 -3.726 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 79 3.073 -4.217 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.975 -5.759 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.559 -6.291 -2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.929 -5.510 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.379 -3.358 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.349 -3.013 -2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.257 -2.137 -1.884 1.00 0.00 H new ATOM 1188 N GLU A 80 0.457 -2.927 -5.189 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.157 -2.641 -6.479 1.00 0.00 C ATOM 1190 C GLU A 80 -0.964 -1.347 -6.423 1.00 0.00 C ATOM 1191 O GLU A 80 -1.019 -0.594 -7.396 1.00 0.00 O ATOM 1192 CB GLU A 80 -1.060 -3.799 -6.908 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.303 -4.972 -7.508 1.00 0.00 C ATOM 1194 CD GLU A 80 -1.121 -5.731 -8.535 1.00 0.00 C ATOM 1195 OE1 GLU A 80 -2.306 -6.010 -8.260 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -0.575 -6.044 -9.613 1.00 0.00 O ATOM 0 H GLU A 80 0.116 -3.776 -4.738 1.00 0.00 H new ATOM 0 HA GLU A 80 0.640 -2.521 -7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.626 -4.147 -6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.784 -3.434 -7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.612 -4.608 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.005 -5.653 -6.711 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.588 -1.095 -5.277 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.393 0.107 -5.094 1.00 0.00 C ATOM 1205 C ARG A 81 -1.525 1.359 -5.166 1.00 0.00 C ATOM 1206 O ARG A 81 -1.977 2.416 -5.608 1.00 0.00 O ATOM 1207 CB ARG A 81 -3.124 0.057 -3.751 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.443 0.813 -3.746 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.576 -0.038 -4.297 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.848 0.679 -4.298 1.00 0.00 N ATOM 1211 CZ ARG A 81 -7.943 0.233 -4.905 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -7.920 -0.921 -5.556 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -9.063 0.942 -4.859 1.00 0.00 N ATOM 0 H ARG A 81 -1.552 -1.707 -4.462 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.127 0.148 -5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.311 -0.984 -3.487 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.475 0.470 -2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.682 1.124 -2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.345 1.721 -4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.334 -0.349 -5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.672 -0.945 -3.700 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.899 1.571 -3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.061 -1.469 -5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.762 -1.261 -6.021 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.084 1.830 -4.358 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.903 0.599 -5.325 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.276 1.233 -4.729 1.00 0.00 N ATOM 1228 CA VAL A 82 0.656 2.354 -4.744 1.00 0.00 C ATOM 1229 C VAL A 82 1.126 2.659 -6.162 1.00 0.00 C ATOM 1230 O VAL A 82 1.127 3.812 -6.593 1.00 0.00 O ATOM 1231 CB VAL A 82 1.884 2.075 -3.857 1.00 0.00 C ATOM 1232 CG1 VAL A 82 2.974 3.104 -4.115 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.488 2.063 -2.388 1.00 0.00 C ATOM 0 H VAL A 82 0.114 0.366 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 82 0.120 3.217 -4.348 1.00 0.00 H new ATOM 0 HB VAL A 82 2.279 1.091 -4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.833 2.891 -3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.276 3.059 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.594 4.101 -3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.368 1.864 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.068 3.031 -2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.744 1.284 -2.218 1.00 0.00 H new ATOM 1243 N LYS A 83 1.524 1.617 -6.884 1.00 0.00 N ATOM 1244 CA LYS A 83 1.995 1.772 -8.256 1.00 0.00 C ATOM 1245 C LYS A 83 0.899 2.350 -9.145 1.00 0.00 C ATOM 1246 O LYS A 83 1.182 3.059 -10.111 1.00 0.00 O ATOM 1247 CB LYS A 83 2.459 0.424 -8.812 1.00 0.00 C ATOM 1248 CG LYS A 83 3.541 -0.240 -7.976 1.00 0.00 C ATOM 1249 CD LYS A 83 3.515 -1.751 -8.128 1.00 0.00 C ATOM 1250 CE LYS A 83 4.844 -2.374 -7.733 1.00 0.00 C ATOM 1251 NZ LYS A 83 5.025 -3.724 -8.335 1.00 0.00 N ATOM 0 H LYS A 83 1.530 0.656 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 83 2.836 2.465 -8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.602 -0.246 -8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.832 0.568 -9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.518 0.140 -8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.405 0.023 -6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.719 -2.166 -7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.284 -2.010 -9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.659 -1.723 -8.050 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.901 -2.450 -6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.943 -4.115 -8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.262 -4.353 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.996 -3.648 -9.372 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.351 2.045 -8.811 1.00 0.00 N ATOM 1266 CA GLU A 84 -1.488 2.537 -9.581 1.00 0.00 C ATOM 1267 C GLU A 84 -1.911 3.922 -9.101 1.00 0.00 C ATOM 1268 O GLU A 84 -2.170 4.818 -9.906 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.664 1.564 -9.471 1.00 0.00 C ATOM 1270 CG GLU A 84 -3.587 1.587 -10.678 1.00 0.00 C ATOM 1271 CD GLU A 84 -4.250 2.935 -10.880 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -4.528 3.618 -9.872 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -4.492 3.308 -12.048 1.00 0.00 O ATOM 0 H GLU A 84 -0.602 1.460 -8.014 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.184 2.612 -10.625 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.278 0.553 -9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.241 1.804 -8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.018 1.329 -11.571 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.355 0.823 -10.558 1.00 0.00 H new ATOM 1280 N LEU A 85 -1.981 4.089 -7.786 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.373 5.365 -7.197 1.00 0.00 C ATOM 1282 C LEU A 85 -1.481 6.495 -7.701 1.00 0.00 C ATOM 1283 O LEU A 85 -1.971 7.523 -8.169 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.304 5.288 -5.671 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.493 4.621 -4.978 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.105 4.153 -3.584 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.676 5.576 -4.913 1.00 0.00 C ATOM 0 H LEU A 85 -1.772 3.357 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.399 5.575 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.398 4.748 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.203 6.301 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.787 3.749 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.964 3.681 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.289 3.434 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.784 5.008 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.513 5.085 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.394 6.467 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.970 5.861 -5.923 1.00 0.00 H new