USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 761 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 65 TYR OH : rot -43:sc= 0.13 USER MOD Set 1.2: A 147 ASN : amide:sc= 0 X(o=0.13,f=-0.18) USER MOD Set 2.1: A 61 CYS SG : rot -47:sc= 0.521 USER MOD Set 2.2: A 76 SER OG : rot 170:sc= 1.38 USER MOD Set 2.3: A 80 CYS SG : rot -82:sc= 0.536 USER MOD Set 2.4: A 82 THR OG1 : rot 147:sc= 0.757 USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0.745 USER MOD Set 3.2: A 35 SER OG : rot -80:sc= 0.845 USER MOD Single : A 19 THR OG1 : rot -34:sc= 0.113 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.0404 X(o=0.04,f=0) USER MOD Single : A 38 MET CE :methyl -124:sc= 0 (180deg=-0.223) USER MOD Single : A 41 THR OG1 : rot -58:sc= 1.35 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 59 TYR OH : rot 155:sc= 0.367 USER MOD Single : A 67 TYR OH : rot -157:sc= 0.13 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.2) USER MOD Single : A 73 SER OG : rot 41:sc= 0.942 USER MOD Single : A 81 GLN : amide:sc= -0.017 K(o=-0.017,f=-0.9) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 90 LYS NZ :NH3+ -152:sc= 0.517 (180deg=0.259) USER MOD Single : A 91 CYS SG : rot 83:sc= 0.161 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.737 K(o=0.74,f=-0.72) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.00039) USER MOD Single : A 105 MET CE :methyl 153:sc= 0 (180deg=-0.873) USER MOD Single : A 140 HIS : no HD1:sc= 0.658 K(o=0.66,f=-2.3!) USER MOD Single : A 143 CYS SG : rot 170:sc= -0.279 USER MOD Single : A 145 ASN : amide:sc= 0.711 K(o=0.71,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 7.708 -0.060 -11.059 1.00 0.00 N ATOM 234 CA THR A 19 6.976 1.227 -11.186 1.00 0.00 C ATOM 235 C THR A 19 5.463 1.164 -10.979 1.00 0.00 C ATOM 236 O THR A 19 4.844 2.203 -10.743 1.00 0.00 O ATOM 237 CB THR A 19 7.256 1.895 -12.541 1.00 0.00 C ATOM 238 OG1 THR A 19 6.936 0.998 -13.583 1.00 0.00 O ATOM 239 CG2 THR A 19 8.714 2.323 -12.700 1.00 0.00 C ATOM 0 HA THR A 19 7.370 1.818 -10.359 1.00 0.00 H new ATOM 0 HB THR A 19 6.637 2.791 -12.586 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.141 0.082 -13.301 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.852 2.788 -13.676 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.971 3.037 -11.918 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.361 1.449 -12.620 1.00 0.00 H new ATOM 247 N LYS A 20 4.865 -0.028 -11.018 1.00 0.00 N ATOM 248 CA LYS A 20 3.417 -0.252 -10.892 1.00 0.00 C ATOM 249 C LYS A 20 3.128 -1.371 -9.875 1.00 0.00 C ATOM 250 O LYS A 20 3.700 -2.460 -9.954 1.00 0.00 O ATOM 251 CB LYS A 20 2.846 -0.541 -12.294 1.00 0.00 C ATOM 252 CG LYS A 20 1.308 -0.492 -12.338 1.00 0.00 C ATOM 253 CD LYS A 20 0.768 0.406 -13.466 1.00 0.00 C ATOM 254 CE LYS A 20 1.162 -0.029 -14.888 1.00 0.00 C ATOM 255 NZ LYS A 20 0.448 -1.256 -15.333 1.00 0.00 N ATOM 0 H LYS A 20 5.389 -0.894 -11.142 1.00 0.00 H new ATOM 0 HA LYS A 20 2.920 0.636 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.248 0.185 -13.001 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.182 -1.525 -12.622 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.921 -1.503 -12.469 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.934 -0.129 -11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.320 0.434 -13.399 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.123 1.423 -13.302 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.949 0.783 -15.584 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.237 -0.206 -14.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.751 -1.504 -16.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.671 -2.041 -14.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.577 -1.083 -15.326 1.00 0.00 H new ATOM 269 N PHE A 21 2.242 -1.094 -8.912 1.00 0.00 N ATOM 270 CA PHE A 21 2.024 -1.927 -7.727 1.00 0.00 C ATOM 271 C PHE A 21 0.529 -2.109 -7.442 1.00 0.00 C ATOM 272 O PHE A 21 -0.210 -1.141 -7.277 1.00 0.00 O ATOM 273 CB PHE A 21 2.735 -1.268 -6.527 1.00 0.00 C ATOM 274 CG PHE A 21 4.237 -1.084 -6.671 1.00 0.00 C ATOM 275 CD1 PHE A 21 4.764 0.065 -7.298 1.00 0.00 C ATOM 276 CD2 PHE A 21 5.118 -2.047 -6.145 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.156 0.240 -7.400 1.00 0.00 C ATOM 278 CE2 PHE A 21 6.507 -1.873 -6.249 1.00 0.00 C ATOM 279 CZ PHE A 21 7.030 -0.726 -6.871 1.00 0.00 C ATOM 0 H PHE A 21 1.645 -0.267 -8.936 1.00 0.00 H new ATOM 0 HA PHE A 21 2.438 -2.920 -7.902 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.283 -0.292 -6.352 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.545 -1.871 -5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.097 0.812 -7.701 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.723 -2.926 -5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.554 1.118 -7.886 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.175 -2.622 -5.850 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.099 -0.587 -6.942 1.00 0.00 H new ATOM 289 N LYS A 22 0.073 -3.358 -7.342 1.00 0.00 N ATOM 290 CA LYS A 22 -1.277 -3.684 -6.859 1.00 0.00 C ATOM 291 C LYS A 22 -1.374 -3.349 -5.356 1.00 0.00 C ATOM 292 O LYS A 22 -0.473 -3.692 -4.584 1.00 0.00 O ATOM 293 CB LYS A 22 -1.584 -5.171 -7.129 1.00 0.00 C ATOM 294 CG LYS A 22 -2.046 -5.510 -8.561 1.00 0.00 C ATOM 295 CD LYS A 22 -1.081 -5.065 -9.674 1.00 0.00 C ATOM 296 CE LYS A 22 -1.359 -5.732 -11.034 1.00 0.00 C ATOM 297 NZ LYS A 22 -2.710 -5.417 -11.576 1.00 0.00 N ATOM 0 H LYS A 22 0.627 -4.177 -7.593 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.019 -3.090 -7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.689 -5.753 -6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.356 -5.496 -6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.191 -6.588 -8.635 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.017 -5.045 -8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.147 -3.983 -9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.059 -5.292 -9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.603 -5.411 -11.750 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.260 -6.812 -10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.837 -5.894 -12.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.437 -5.747 -10.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.801 -4.389 -11.706 1.00 0.00 H new ATOM 311 N VAL A 23 -2.453 -2.681 -4.946 1.00 0.00 N ATOM 312 CA VAL A 23 -2.664 -2.176 -3.571 1.00 0.00 C ATOM 313 C VAL A 23 -4.110 -2.384 -3.112 1.00 0.00 C ATOM 314 O VAL A 23 -5.012 -2.454 -3.944 1.00 0.00 O ATOM 315 CB VAL A 23 -2.288 -0.680 -3.432 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.775 -0.449 -3.563 1.00 0.00 C ATOM 317 CG2 VAL A 23 -3.051 0.244 -4.399 1.00 0.00 C ATOM 0 H VAL A 23 -3.230 -2.466 -5.571 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.000 -2.756 -2.930 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.598 -0.409 -2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.559 0.614 -3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.253 -1.003 -2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.438 -0.794 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.735 1.275 -4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.838 -0.049 -5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.122 0.161 -4.213 1.00 0.00 H new ATOM 327 N THR A 24 -4.338 -2.447 -1.792 1.00 0.00 N ATOM 328 CA THR A 24 -5.676 -2.556 -1.183 1.00 0.00 C ATOM 329 C THR A 24 -5.815 -1.514 -0.087 1.00 0.00 C ATOM 330 O THR A 24 -5.109 -1.589 0.908 1.00 0.00 O ATOM 331 CB THR A 24 -5.910 -3.965 -0.627 1.00 0.00 C ATOM 332 OG1 THR A 24 -5.775 -4.882 -1.690 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.328 -4.127 -0.081 1.00 0.00 C ATOM 0 H THR A 24 -3.586 -2.423 -1.104 1.00 0.00 H new ATOM 0 HA THR A 24 -6.432 -2.375 -1.947 1.00 0.00 H new ATOM 0 HB THR A 24 -5.192 -4.137 0.175 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.919 -5.792 -1.357 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.456 -5.139 0.304 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.493 -3.409 0.722 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.048 -3.949 -0.880 1.00 0.00 H new ATOM 341 N ASN A 25 -6.704 -0.536 -0.251 1.00 0.00 N ATOM 342 CA ASN A 25 -6.938 0.515 0.746 1.00 0.00 C ATOM 343 C ASN A 25 -7.515 -0.081 2.049 1.00 0.00 C ATOM 344 O ASN A 25 -8.387 -0.953 1.985 1.00 0.00 O ATOM 345 CB ASN A 25 -7.860 1.579 0.121 1.00 0.00 C ATOM 346 CG ASN A 25 -8.165 2.767 1.036 1.00 0.00 C ATOM 347 OD1 ASN A 25 -9.309 3.180 1.172 1.00 0.00 O ATOM 348 ND2 ASN A 25 -7.170 3.362 1.670 1.00 0.00 N ATOM 0 H ASN A 25 -7.287 -0.447 -1.083 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.998 0.991 1.025 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.398 1.950 -0.794 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.799 1.106 -0.165 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.356 4.164 2.272 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.216 3.019 1.558 1.00 0.00 H new ATOM 355 N VAL A 26 -7.037 0.378 3.213 1.00 0.00 N ATOM 356 CA VAL A 26 -7.433 -0.157 4.530 1.00 0.00 C ATOM 357 C VAL A 26 -7.858 0.936 5.518 1.00 0.00 C ATOM 358 O VAL A 26 -7.457 2.094 5.392 1.00 0.00 O ATOM 359 CB VAL A 26 -6.350 -1.053 5.176 1.00 0.00 C ATOM 360 CG1 VAL A 26 -6.104 -2.329 4.362 1.00 0.00 C ATOM 361 CG2 VAL A 26 -5.006 -0.341 5.408 1.00 0.00 C ATOM 0 H VAL A 26 -6.359 1.137 3.272 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.302 -0.780 4.317 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.759 -1.310 6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.337 -2.930 4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.028 -2.903 4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.772 -2.062 3.359 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.300 -1.036 5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.609 0.006 4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.155 0.511 6.071 1.00 0.00 H new ATOM 371 N ASP A 27 -8.671 0.540 6.503 1.00 0.00 N ATOM 372 CA ASP A 27 -9.178 1.397 7.580 1.00 0.00 C ATOM 373 C ASP A 27 -8.249 1.458 8.815 1.00 0.00 C ATOM 374 O ASP A 27 -7.136 0.925 8.815 1.00 0.00 O ATOM 375 CB ASP A 27 -10.607 0.953 7.957 1.00 0.00 C ATOM 376 CG ASP A 27 -10.700 -0.331 8.802 1.00 0.00 C ATOM 377 OD1 ASP A 27 -9.708 -1.085 8.909 1.00 0.00 O ATOM 378 OD2 ASP A 27 -11.791 -0.565 9.379 1.00 0.00 O ATOM 0 H ASP A 27 -9.006 -0.421 6.575 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.203 2.419 7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.088 1.763 8.505 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.177 0.806 7.040 1.00 0.00 H new ATOM 383 N ASP A 28 -8.732 2.081 9.900 1.00 0.00 N ATOM 384 CA ASP A 28 -8.019 2.253 11.178 1.00 0.00 C ATOM 385 C ASP A 28 -7.768 0.933 11.946 1.00 0.00 C ATOM 386 O ASP A 28 -7.056 0.927 12.952 1.00 0.00 O ATOM 387 CB ASP A 28 -8.780 3.283 12.037 1.00 0.00 C ATOM 388 CG ASP A 28 -7.861 4.216 12.845 1.00 0.00 C ATOM 389 OD1 ASP A 28 -7.485 3.866 13.988 1.00 0.00 O ATOM 390 OD2 ASP A 28 -7.553 5.326 12.350 1.00 0.00 O ATOM 0 H ASP A 28 -9.664 2.495 9.914 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.019 2.623 10.950 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.415 3.886 11.388 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.439 2.753 12.724 1.00 0.00 H new ATOM 395 N GLU A 29 -8.315 -0.189 11.460 1.00 0.00 N ATOM 396 CA GLU A 29 -8.134 -1.546 11.992 1.00 0.00 C ATOM 397 C GLU A 29 -7.427 -2.481 10.986 1.00 0.00 C ATOM 398 O GLU A 29 -7.254 -3.672 11.261 1.00 0.00 O ATOM 399 CB GLU A 29 -9.505 -2.109 12.410 1.00 0.00 C ATOM 400 CG GLU A 29 -10.116 -1.359 13.602 1.00 0.00 C ATOM 401 CD GLU A 29 -11.407 -2.039 14.084 1.00 0.00 C ATOM 402 OE1 GLU A 29 -11.325 -3.051 14.817 1.00 0.00 O ATOM 403 OE2 GLU A 29 -12.518 -1.556 13.752 1.00 0.00 O ATOM 0 H GLU A 29 -8.927 -0.174 10.644 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.481 -1.491 12.863 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.189 -2.055 11.563 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.397 -3.163 12.666 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.395 -1.321 14.419 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.329 -0.329 13.316 1.00 0.00 H new ATOM 410 N GLY A 30 -7.008 -1.968 9.819 1.00 0.00 N ATOM 411 CA GLY A 30 -6.301 -2.726 8.776 1.00 0.00 C ATOM 412 C GLY A 30 -7.209 -3.599 7.901 1.00 0.00 C ATOM 413 O GLY A 30 -6.702 -4.476 7.203 1.00 0.00 O ATOM 0 H GLY A 30 -7.155 -0.990 9.569 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.764 -2.026 8.136 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.553 -3.362 9.250 1.00 0.00 H new ATOM 417 N VAL A 31 -8.528 -3.384 7.928 1.00 0.00 N ATOM 418 CA VAL A 31 -9.523 -4.181 7.187 1.00 0.00 C ATOM 419 C VAL A 31 -9.534 -3.761 5.716 1.00 0.00 C ATOM 420 O VAL A 31 -9.629 -2.574 5.413 1.00 0.00 O ATOM 421 CB VAL A 31 -10.943 -4.045 7.792 1.00 0.00 C ATOM 422 CG1 VAL A 31 -11.964 -4.926 7.048 1.00 0.00 C ATOM 423 CG2 VAL A 31 -10.951 -4.446 9.279 1.00 0.00 C ATOM 0 H VAL A 31 -8.948 -2.634 8.477 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.234 -5.229 7.267 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.226 -2.998 7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.948 -4.804 7.501 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -12.007 -4.628 6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.661 -5.971 7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.960 -4.341 9.679 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.627 -5.482 9.378 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.272 -3.799 9.834 1.00 0.00 H new ATOM 433 N GLU A 32 -9.444 -4.741 4.813 1.00 0.00 N ATOM 434 CA GLU A 32 -9.443 -4.557 3.356 1.00 0.00 C ATOM 435 C GLU A 32 -10.777 -3.964 2.864 1.00 0.00 C ATOM 436 O GLU A 32 -11.828 -4.604 2.970 1.00 0.00 O ATOM 437 CB GLU A 32 -9.166 -5.910 2.674 1.00 0.00 C ATOM 438 CG GLU A 32 -7.754 -6.446 2.954 1.00 0.00 C ATOM 439 CD GLU A 32 -7.592 -7.866 2.390 1.00 0.00 C ATOM 440 OE1 GLU A 32 -7.901 -8.844 3.112 1.00 0.00 O ATOM 441 OE2 GLU A 32 -7.157 -8.019 1.223 1.00 0.00 O ATOM 0 H GLU A 32 -9.367 -5.721 5.085 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.657 -3.849 3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.900 -6.640 3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.301 -5.802 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.013 -5.784 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.568 -6.452 4.028 1.00 0.00 H new ATOM 448 N LEU A 33 -10.737 -2.741 2.318 1.00 0.00 N ATOM 449 CA LEU A 33 -11.922 -2.004 1.853 1.00 0.00 C ATOM 450 C LEU A 33 -12.174 -2.219 0.357 1.00 0.00 C ATOM 451 O LEU A 33 -13.273 -2.605 -0.047 1.00 0.00 O ATOM 452 CB LEU A 33 -11.745 -0.501 2.152 1.00 0.00 C ATOM 453 CG LEU A 33 -11.502 -0.159 3.633 1.00 0.00 C ATOM 454 CD1 LEU A 33 -11.298 1.355 3.754 1.00 0.00 C ATOM 455 CD2 LEU A 33 -12.660 -0.627 4.526 1.00 0.00 C ATOM 0 H LEU A 33 -9.866 -2.227 2.184 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.791 -2.387 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.907 -0.125 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.635 0.029 1.813 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.612 -0.686 3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.124 1.616 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.437 1.655 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.187 1.872 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.448 -0.366 5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.583 -0.140 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.772 -1.708 4.440 1.00 0.00 H new ATOM 467 N GLY A 34 -11.143 -1.977 -0.456 1.00 0.00 N ATOM 468 CA GLY A 34 -11.159 -2.154 -1.911 1.00 0.00 C ATOM 469 C GLY A 34 -9.777 -2.004 -2.540 1.00 0.00 C ATOM 470 O GLY A 34 -8.912 -1.317 -1.995 1.00 0.00 O ATOM 0 H GLY A 34 -10.244 -1.641 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.556 -3.141 -2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.836 -1.424 -2.354 1.00 0.00 H new ATOM 474 N SER A 35 -9.560 -2.639 -3.688 1.00 0.00 N ATOM 475 CA SER A 35 -8.236 -2.740 -4.325 1.00 0.00 C ATOM 476 C SER A 35 -8.106 -1.884 -5.597 1.00 0.00 C ATOM 477 O SER A 35 -9.055 -1.721 -6.370 1.00 0.00 O ATOM 478 CB SER A 35 -7.880 -4.207 -4.613 1.00 0.00 C ATOM 479 OG SER A 35 -8.015 -5.045 -3.473 1.00 0.00 O ATOM 0 H SER A 35 -10.300 -3.105 -4.213 1.00 0.00 H new ATOM 0 HA SER A 35 -7.520 -2.335 -3.610 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.522 -4.581 -5.410 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.854 -4.261 -4.978 1.00 0.00 H new ATOM 0 HG SER A 35 -7.224 -4.951 -2.902 1.00 0.00 H new ATOM 485 N GLY A 36 -6.904 -1.332 -5.803 1.00 0.00 N ATOM 486 CA GLY A 36 -6.513 -0.456 -6.909 1.00 0.00 C ATOM 487 C GLY A 36 -5.089 -0.723 -7.388 1.00 0.00 C ATOM 488 O GLY A 36 -4.394 -1.601 -6.864 1.00 0.00 O ATOM 0 H GLY A 36 -6.131 -1.497 -5.159 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.205 -0.594 -7.740 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.598 0.584 -6.593 1.00 0.00 H new ATOM 492 N VAL A 37 -4.647 0.062 -8.371 1.00 0.00 N ATOM 493 CA VAL A 37 -3.279 -0.009 -8.912 1.00 0.00 C ATOM 494 C VAL A 37 -2.568 1.325 -8.688 1.00 0.00 C ATOM 495 O VAL A 37 -2.942 2.354 -9.252 1.00 0.00 O ATOM 496 CB VAL A 37 -3.266 -0.421 -10.400 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.827 -0.513 -10.932 1.00 0.00 C ATOM 498 CG2 VAL A 37 -3.944 -1.788 -10.601 1.00 0.00 C ATOM 0 H VAL A 37 -5.227 0.771 -8.820 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.737 -0.788 -8.376 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.814 0.345 -10.948 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.845 -0.805 -11.982 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.340 0.457 -10.833 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.274 -1.257 -10.358 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.921 -2.054 -11.658 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.413 -2.546 -10.025 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.979 -1.734 -10.263 1.00 0.00 H new ATOM 508 N MET A 38 -1.529 1.281 -7.857 1.00 0.00 N ATOM 509 CA MET A 38 -0.651 2.397 -7.517 1.00 0.00 C ATOM 510 C MET A 38 0.436 2.546 -8.585 1.00 0.00 C ATOM 511 O MET A 38 1.039 1.560 -9.020 1.00 0.00 O ATOM 512 CB MET A 38 -0.044 2.127 -6.130 1.00 0.00 C ATOM 513 CG MET A 38 0.630 3.357 -5.512 1.00 0.00 C ATOM 514 SD MET A 38 -0.519 4.641 -4.953 1.00 0.00 S ATOM 515 CE MET A 38 -1.079 3.938 -3.381 1.00 0.00 C ATOM 0 H MET A 38 -1.263 0.421 -7.378 1.00 0.00 H new ATOM 0 HA MET A 38 -1.210 3.332 -7.485 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.829 1.777 -5.460 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.688 1.323 -6.212 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.237 3.036 -4.665 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.310 3.790 -6.245 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.166 3.859 -3.384 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.644 2.947 -3.250 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.764 4.584 -2.561 1.00 0.00 H new ATOM 525 N GLU A 39 0.690 3.779 -9.003 1.00 0.00 N ATOM 526 CA GLU A 39 1.625 4.127 -10.074 1.00 0.00 C ATOM 527 C GLU A 39 2.375 5.416 -9.717 1.00 0.00 C ATOM 528 O GLU A 39 1.776 6.427 -9.346 1.00 0.00 O ATOM 529 CB GLU A 39 0.843 4.257 -11.392 1.00 0.00 C ATOM 530 CG GLU A 39 1.728 4.650 -12.580 1.00 0.00 C ATOM 531 CD GLU A 39 0.922 4.632 -13.888 1.00 0.00 C ATOM 532 OE1 GLU A 39 -0.024 5.441 -14.024 1.00 0.00 O ATOM 533 OE2 GLU A 39 1.229 3.808 -14.782 1.00 0.00 O ATOM 0 H GLU A 39 0.237 4.596 -8.594 1.00 0.00 H new ATOM 0 HA GLU A 39 2.374 3.345 -10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.351 3.309 -11.611 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.057 5.003 -11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.143 5.644 -12.417 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.570 3.961 -12.656 1.00 0.00 H new ATOM 540 N LEU A 40 3.704 5.376 -9.823 1.00 0.00 N ATOM 541 CA LEU A 40 4.590 6.492 -9.495 1.00 0.00 C ATOM 542 C LEU A 40 5.306 6.952 -10.772 1.00 0.00 C ATOM 543 O LEU A 40 5.912 6.137 -11.478 1.00 0.00 O ATOM 544 CB LEU A 40 5.586 6.051 -8.405 1.00 0.00 C ATOM 545 CG LEU A 40 5.055 6.131 -6.956 1.00 0.00 C ATOM 546 CD1 LEU A 40 4.030 5.047 -6.592 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.215 6.048 -5.956 1.00 0.00 C ATOM 0 H LEU A 40 4.205 4.548 -10.146 1.00 0.00 H new ATOM 0 HA LEU A 40 4.020 7.334 -9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.890 5.024 -8.607 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.481 6.669 -8.482 1.00 0.00 H new ATOM 0 HG LEU A 40 4.543 7.092 -6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.712 5.180 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.165 5.128 -7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.484 4.063 -6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.824 6.106 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.743 5.104 -6.089 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.903 6.876 -6.128 1.00 0.00 H new ATOM 559 N THR A 41 5.212 8.252 -11.075 1.00 0.00 N ATOM 560 CA THR A 41 5.707 8.871 -12.318 1.00 0.00 C ATOM 561 C THR A 41 6.828 9.862 -12.026 1.00 0.00 C ATOM 562 O THR A 41 7.031 10.269 -10.885 1.00 0.00 O ATOM 563 CB THR A 41 4.565 9.557 -13.088 1.00 0.00 C ATOM 564 OG1 THR A 41 4.156 10.709 -12.388 1.00 0.00 O ATOM 565 CG2 THR A 41 3.353 8.652 -13.318 1.00 0.00 C ATOM 0 H THR A 41 4.777 8.926 -10.445 1.00 0.00 H new ATOM 0 HA THR A 41 6.110 8.076 -12.946 1.00 0.00 H new ATOM 0 HB THR A 41 4.960 9.812 -14.071 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.877 10.460 -11.482 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.588 9.201 -13.866 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.656 7.778 -13.895 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.951 8.331 -12.357 1.00 0.00 H new ATOM 573 N GLN A 42 7.520 10.332 -13.064 1.00 0.00 N ATOM 574 CA GLN A 42 8.529 11.392 -12.935 1.00 0.00 C ATOM 575 C GLN A 42 7.920 12.769 -12.573 1.00 0.00 C ATOM 576 O GLN A 42 8.656 13.747 -12.442 1.00 0.00 O ATOM 577 CB GLN A 42 9.383 11.447 -14.216 1.00 0.00 C ATOM 578 CG GLN A 42 10.254 10.189 -14.402 1.00 0.00 C ATOM 579 CD GLN A 42 11.042 10.183 -15.718 1.00 0.00 C ATOM 580 OE1 GLN A 42 11.286 11.200 -16.361 1.00 0.00 O ATOM 581 NE2 GLN A 42 11.460 9.023 -16.190 1.00 0.00 N ATOM 0 H GLN A 42 7.400 9.992 -14.018 1.00 0.00 H new ATOM 0 HA GLN A 42 9.175 11.142 -12.093 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.728 11.562 -15.080 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.025 12.327 -14.183 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.952 10.113 -13.569 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.616 9.306 -14.365 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.270 8.164 -15.674 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.973 8.986 -17.071 1.00 0.00 H new ATOM 590 N SER A 43 6.597 12.863 -12.374 1.00 0.00 N ATOM 591 CA SER A 43 5.894 14.100 -11.995 1.00 0.00 C ATOM 592 C SER A 43 5.128 14.015 -10.655 1.00 0.00 C ATOM 593 O SER A 43 5.075 15.012 -9.933 1.00 0.00 O ATOM 594 CB SER A 43 4.901 14.490 -13.107 1.00 0.00 C ATOM 595 OG SER A 43 5.546 14.755 -14.349 1.00 0.00 O ATOM 0 H SER A 43 5.971 12.064 -12.474 1.00 0.00 H new ATOM 0 HA SER A 43 6.671 14.853 -11.863 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.178 13.686 -13.242 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.342 15.373 -12.797 1.00 0.00 H new ATOM 0 HG SER A 43 4.875 14.996 -15.021 1.00 0.00 H new ATOM 601 N GLU A 44 4.529 12.863 -10.311 1.00 0.00 N ATOM 602 CA GLU A 44 3.582 12.704 -9.194 1.00 0.00 C ATOM 603 C GLU A 44 3.201 11.238 -8.907 1.00 0.00 C ATOM 604 O GLU A 44 3.427 10.329 -9.715 1.00 0.00 O ATOM 605 CB GLU A 44 2.307 13.545 -9.440 1.00 0.00 C ATOM 606 CG GLU A 44 1.480 13.104 -10.657 1.00 0.00 C ATOM 607 CD GLU A 44 0.321 14.066 -10.982 1.00 0.00 C ATOM 608 OE1 GLU A 44 -0.164 14.794 -10.083 1.00 0.00 O ATOM 609 OE2 GLU A 44 -0.116 14.092 -12.157 1.00 0.00 O ATOM 0 H GLU A 44 4.694 11.992 -10.816 1.00 0.00 H new ATOM 0 HA GLU A 44 4.102 13.067 -8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.677 13.496 -8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.594 14.588 -9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.135 13.027 -11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.077 12.108 -10.473 1.00 0.00 H new ATOM 616 N LEU A 45 2.561 11.021 -7.755 1.00 0.00 N ATOM 617 CA LEU A 45 1.916 9.771 -7.362 1.00 0.00 C ATOM 618 C LEU A 45 0.522 9.697 -8.010 1.00 0.00 C ATOM 619 O LEU A 45 -0.227 10.672 -7.956 1.00 0.00 O ATOM 620 CB LEU A 45 1.824 9.744 -5.815 1.00 0.00 C ATOM 621 CG LEU A 45 2.231 8.405 -5.177 1.00 0.00 C ATOM 622 CD1 LEU A 45 2.071 8.464 -3.655 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.411 7.231 -5.722 1.00 0.00 C ATOM 0 H LEU A 45 2.476 11.745 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 45 2.488 8.907 -7.699 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.459 10.533 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.801 9.977 -5.520 1.00 0.00 H new ATOM 0 HG LEU A 45 3.277 8.240 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.364 7.508 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.705 9.254 -3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.030 8.672 -3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.734 6.307 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.354 7.398 -5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.560 7.152 -6.799 1.00 0.00 H new ATOM 635 N VAL A 46 0.162 8.556 -8.598 1.00 0.00 N ATOM 636 CA VAL A 46 -1.141 8.297 -9.239 1.00 0.00 C ATOM 637 C VAL A 46 -1.725 6.985 -8.703 1.00 0.00 C ATOM 638 O VAL A 46 -1.001 6.014 -8.489 1.00 0.00 O ATOM 639 CB VAL A 46 -1.007 8.231 -10.783 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.388 8.139 -11.459 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.262 9.448 -11.368 1.00 0.00 C ATOM 0 H VAL A 46 0.789 7.753 -8.646 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.812 9.121 -8.998 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.425 7.333 -10.989 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.261 8.094 -12.541 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.902 7.241 -11.116 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.980 9.017 -11.199 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.198 9.349 -12.452 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.804 10.360 -11.119 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.743 9.496 -10.948 1.00 0.00 H new ATOM 651 N LEU A 47 -3.040 6.941 -8.491 1.00 0.00 N ATOM 652 CA LEU A 47 -3.771 5.759 -8.029 1.00 0.00 C ATOM 653 C LEU A 47 -5.022 5.547 -8.892 1.00 0.00 C ATOM 654 O LEU A 47 -5.922 6.390 -8.932 1.00 0.00 O ATOM 655 CB LEU A 47 -4.116 5.928 -6.535 1.00 0.00 C ATOM 656 CG LEU A 47 -4.181 4.623 -5.713 1.00 0.00 C ATOM 657 CD1 LEU A 47 -4.853 4.893 -4.364 1.00 0.00 C ATOM 658 CD2 LEU A 47 -4.888 3.456 -6.402 1.00 0.00 C ATOM 0 H LEU A 47 -3.644 7.749 -8.640 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.153 4.867 -8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.374 6.585 -6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.079 6.433 -6.458 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.144 4.311 -5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.896 3.969 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.278 5.637 -3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.864 5.265 -4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.881 2.587 -5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.918 3.735 -6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.370 3.213 -7.330 1.00 0.00 H new ATOM 670 N HIS A 48 -5.064 4.400 -9.570 1.00 0.00 N ATOM 671 CA HIS A 48 -6.144 3.956 -10.450 1.00 0.00 C ATOM 672 C HIS A 48 -7.130 3.029 -9.706 1.00 0.00 C ATOM 673 O HIS A 48 -6.709 2.081 -9.029 1.00 0.00 O ATOM 674 CB HIS A 48 -5.509 3.242 -11.654 1.00 0.00 C ATOM 675 CG HIS A 48 -4.556 4.110 -12.435 1.00 0.00 C ATOM 676 ND1 HIS A 48 -4.935 5.144 -13.296 1.00 0.00 N ATOM 677 CD2 HIS A 48 -3.194 4.017 -12.422 1.00 0.00 C ATOM 678 CE1 HIS A 48 -3.788 5.649 -13.778 1.00 0.00 C ATOM 679 NE2 HIS A 48 -2.728 4.992 -13.277 1.00 0.00 N ATOM 0 H HIS A 48 -4.305 3.720 -9.517 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.723 4.815 -10.789 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.977 2.358 -11.303 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.300 2.895 -12.319 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.599 3.317 -11.854 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.726 6.472 -14.474 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.749 5.182 -13.492 1.00 0.00 H new ATOM 687 N LEU A 49 -8.432 3.309 -9.837 1.00 0.00 N ATOM 688 CA LEU A 49 -9.544 2.692 -9.097 1.00 0.00 C ATOM 689 C LEU A 49 -10.724 2.395 -10.049 1.00 0.00 C ATOM 690 O LEU A 49 -10.892 3.057 -11.075 1.00 0.00 O ATOM 691 CB LEU A 49 -9.980 3.647 -7.959 1.00 0.00 C ATOM 692 CG LEU A 49 -8.914 3.921 -6.875 1.00 0.00 C ATOM 693 CD1 LEU A 49 -9.352 5.054 -5.939 1.00 0.00 C ATOM 694 CD2 LEU A 49 -8.638 2.667 -6.035 1.00 0.00 C ATOM 0 H LEU A 49 -8.759 4.012 -10.500 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.219 1.745 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.277 4.598 -8.401 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.864 3.230 -7.477 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.003 4.214 -7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.581 5.223 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.502 5.966 -6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.285 4.779 -5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.884 2.893 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.557 2.348 -5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.277 1.868 -6.682 1.00 0.00 H new ATOM 786 N ALA A 54 -9.687 8.357 -10.674 1.00 0.00 N ATOM 787 CA ALA A 54 -8.233 8.280 -10.513 1.00 0.00 C ATOM 788 C ALA A 54 -7.744 9.420 -9.599 1.00 0.00 C ATOM 789 O ALA A 54 -8.096 10.586 -9.813 1.00 0.00 O ATOM 790 CB ALA A 54 -7.567 8.311 -11.896 1.00 0.00 C ATOM 0 HA ALA A 54 -7.955 7.343 -10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.485 8.254 -11.780 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.914 7.463 -12.486 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.829 9.238 -12.405 1.00 0.00 H new ATOM 796 N VAL A 55 -6.934 9.094 -8.588 1.00 0.00 N ATOM 797 CA VAL A 55 -6.512 10.053 -7.548 1.00 0.00 C ATOM 798 C VAL A 55 -5.021 10.343 -7.663 1.00 0.00 C ATOM 799 O VAL A 55 -4.205 9.425 -7.688 1.00 0.00 O ATOM 800 CB VAL A 55 -6.886 9.611 -6.115 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.628 10.760 -5.128 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.367 9.215 -6.025 1.00 0.00 C ATOM 0 H VAL A 55 -6.549 8.158 -8.462 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.068 10.973 -7.730 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.269 8.748 -5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.894 10.441 -4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.573 11.033 -5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.234 11.622 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.600 8.909 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.989 10.067 -6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.564 8.388 -6.707 1.00 0.00 H new ATOM 812 N ARG A 56 -4.687 11.633 -7.754 1.00 0.00 N ATOM 813 CA ARG A 56 -3.339 12.137 -8.001 1.00 0.00 C ATOM 814 C ARG A 56 -2.849 13.003 -6.838 1.00 0.00 C ATOM 815 O ARG A 56 -3.572 13.887 -6.369 1.00 0.00 O ATOM 816 CB ARG A 56 -3.347 12.962 -9.294 1.00 0.00 C ATOM 817 CG ARG A 56 -3.587 12.098 -10.540 1.00 0.00 C ATOM 818 CD ARG A 56 -3.668 12.997 -11.776 1.00 0.00 C ATOM 819 NE ARG A 56 -3.545 12.224 -13.025 1.00 0.00 N ATOM 820 CZ ARG A 56 -4.502 11.553 -13.657 1.00 0.00 C ATOM 821 NH1 ARG A 56 -5.734 11.478 -13.192 1.00 0.00 N ATOM 822 NH2 ARG A 56 -4.229 10.939 -14.788 1.00 0.00 N ATOM 0 H ARG A 56 -5.375 12.380 -7.654 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.660 11.290 -8.097 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.123 13.725 -9.230 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.395 13.483 -9.395 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.780 11.375 -10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.510 11.530 -10.429 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.616 13.534 -11.773 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.877 13.746 -11.733 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.619 12.202 -13.453 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.979 11.945 -12.319 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.442 10.953 -13.706 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.286 10.979 -15.176 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.960 10.422 -15.277 1.00 0.00 H new ATOM 836 N TRP A 57 -1.600 12.783 -6.421 1.00 0.00 N ATOM 837 CA TRP A 57 -0.927 13.542 -5.366 1.00 0.00 C ATOM 838 C TRP A 57 0.501 13.925 -5.810 1.00 0.00 C ATOM 839 O TRP A 57 1.346 13.029 -5.934 1.00 0.00 O ATOM 840 CB TRP A 57 -0.899 12.703 -4.079 1.00 0.00 C ATOM 841 CG TRP A 57 -2.226 12.285 -3.523 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.126 13.106 -2.938 1.00 0.00 C ATOM 843 CD2 TRP A 57 -2.824 10.949 -3.482 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.183 12.364 -2.448 1.00 0.00 N ATOM 845 CE2 TRP A 57 -4.038 11.024 -2.735 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.461 9.685 -3.993 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -4.816 9.889 -2.455 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.264 8.550 -3.764 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.431 8.647 -2.984 1.00 0.00 C ATOM 0 H TRP A 57 -1.013 12.051 -6.820 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.474 14.465 -5.173 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.311 11.805 -4.270 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.372 13.272 -3.313 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.033 14.179 -2.865 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.973 12.759 -1.937 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.553 9.586 -4.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.700 9.971 -1.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.982 7.599 -4.190 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.029 7.768 -2.793 1.00 0.00 H new ATOM 860 N PRO A 58 0.805 15.217 -6.057 1.00 0.00 N ATOM 861 CA PRO A 58 2.161 15.647 -6.387 1.00 0.00 C ATOM 862 C PRO A 58 3.092 15.451 -5.194 1.00 0.00 C ATOM 863 O PRO A 58 2.703 15.658 -4.048 1.00 0.00 O ATOM 864 CB PRO A 58 2.049 17.119 -6.778 1.00 0.00 C ATOM 865 CG PRO A 58 0.809 17.604 -6.031 1.00 0.00 C ATOM 866 CD PRO A 58 -0.092 16.368 -6.044 1.00 0.00 C ATOM 0 HA PRO A 58 2.586 15.061 -7.202 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.937 17.679 -6.484 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.939 17.239 -7.856 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.046 17.922 -5.016 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.341 18.452 -6.530 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.740 16.348 -5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.741 16.367 -6.920 1.00 0.00 H new ATOM 874 N TYR A 59 4.349 15.089 -5.459 1.00 0.00 N ATOM 875 CA TYR A 59 5.330 14.822 -4.391 1.00 0.00 C ATOM 876 C TYR A 59 5.631 16.057 -3.517 1.00 0.00 C ATOM 877 O TYR A 59 6.061 15.926 -2.372 1.00 0.00 O ATOM 878 CB TYR A 59 6.615 14.253 -5.017 1.00 0.00 C ATOM 879 CG TYR A 59 6.464 12.989 -5.848 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.533 11.994 -5.488 1.00 0.00 C ATOM 881 CD2 TYR A 59 7.279 12.800 -6.982 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.424 10.819 -6.246 1.00 0.00 C ATOM 883 CE2 TYR A 59 7.150 11.635 -7.764 1.00 0.00 C ATOM 884 CZ TYR A 59 6.228 10.635 -7.385 1.00 0.00 C ATOM 885 OH TYR A 59 6.069 9.496 -8.109 1.00 0.00 O ATOM 0 H TYR A 59 4.717 14.972 -6.403 1.00 0.00 H new ATOM 0 HA TYR A 59 4.892 14.088 -3.714 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.058 15.024 -5.647 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.325 14.051 -4.215 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.901 12.137 -4.624 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.006 13.552 -7.253 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.721 10.053 -5.954 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.754 11.507 -8.650 1.00 0.00 H new ATOM 0 HH TYR A 59 6.357 9.653 -9.033 1.00 0.00 H new ATOM 895 N LEU A 60 5.322 17.253 -4.031 1.00 0.00 N ATOM 896 CA LEU A 60 5.407 18.536 -3.328 1.00 0.00 C ATOM 897 C LEU A 60 4.294 18.764 -2.292 1.00 0.00 C ATOM 898 O LEU A 60 4.523 19.519 -1.347 1.00 0.00 O ATOM 899 CB LEU A 60 5.576 19.668 -4.361 1.00 0.00 C ATOM 900 CG LEU A 60 4.293 20.049 -5.122 1.00 0.00 C ATOM 901 CD1 LEU A 60 3.583 21.225 -4.435 1.00 0.00 C ATOM 902 CD2 LEU A 60 4.635 20.432 -6.565 1.00 0.00 C ATOM 0 H LEU A 60 4.992 17.356 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 60 6.297 18.527 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.954 20.553 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.335 19.370 -5.084 1.00 0.00 H new ATOM 0 HG LEU A 60 3.626 19.187 -5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.679 21.478 -4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.317 20.944 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.248 22.088 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.722 20.700 -7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.317 21.282 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.110 19.587 -7.063 1.00 0.00 H new ATOM 914 N CYS A 61 3.135 18.085 -2.388 1.00 0.00 N ATOM 915 CA CYS A 61 2.115 18.097 -1.320 1.00 0.00 C ATOM 916 C CYS A 61 2.278 16.964 -0.283 1.00 0.00 C ATOM 917 O CYS A 61 1.512 16.910 0.679 1.00 0.00 O ATOM 918 CB CYS A 61 0.694 18.176 -1.923 1.00 0.00 C ATOM 919 SG CYS A 61 0.100 16.562 -2.511 1.00 0.00 S ATOM 0 H CYS A 61 2.880 17.519 -3.197 1.00 0.00 H new ATOM 0 HA CYS A 61 2.277 19.005 -0.739 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.005 18.562 -1.172 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.693 18.884 -2.751 1.00 0.00 H new ATOM 0 HG CYS A 61 1.029 15.989 -3.217 1.00 0.00 H new ATOM 925 N LEU A 62 3.261 16.069 -0.444 1.00 0.00 N ATOM 926 CA LEU A 62 3.534 14.977 0.498 1.00 0.00 C ATOM 927 C LEU A 62 4.513 15.443 1.581 1.00 0.00 C ATOM 928 O LEU A 62 5.732 15.332 1.436 1.00 0.00 O ATOM 929 CB LEU A 62 4.052 13.737 -0.253 1.00 0.00 C ATOM 930 CG LEU A 62 3.097 13.176 -1.323 1.00 0.00 C ATOM 931 CD1 LEU A 62 3.723 11.920 -1.938 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.715 12.837 -0.752 1.00 0.00 C ATOM 0 H LEU A 62 3.896 16.083 -1.242 1.00 0.00 H new ATOM 0 HA LEU A 62 2.607 14.692 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.999 13.989 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.260 12.952 0.474 1.00 0.00 H new ATOM 0 HG LEU A 62 2.952 13.946 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.054 11.515 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.679 12.176 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.882 11.174 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.079 12.445 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.819 12.087 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.263 13.737 -0.336 1.00 0.00 H new ATOM 944 N ARG A 63 3.968 15.960 2.685 1.00 0.00 N ATOM 945 CA ARG A 63 4.763 16.448 3.823 1.00 0.00 C ATOM 946 C ARG A 63 5.470 15.312 4.579 1.00 0.00 C ATOM 947 O ARG A 63 6.587 15.518 5.062 1.00 0.00 O ATOM 948 CB ARG A 63 3.888 17.286 4.770 1.00 0.00 C ATOM 949 CG ARG A 63 3.527 18.639 4.139 1.00 0.00 C ATOM 950 CD ARG A 63 2.725 19.511 5.112 1.00 0.00 C ATOM 951 NE ARG A 63 2.494 20.858 4.558 1.00 0.00 N ATOM 952 CZ ARG A 63 3.305 21.909 4.650 1.00 0.00 C ATOM 953 NH1 ARG A 63 4.465 21.851 5.274 1.00 0.00 N ATOM 954 NH2 ARG A 63 2.954 23.053 4.104 1.00 0.00 N ATOM 0 H ARG A 63 2.961 16.054 2.819 1.00 0.00 H new ATOM 0 HA ARG A 63 5.549 17.085 3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.976 16.738 5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.416 17.449 5.709 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.438 19.161 3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.947 18.476 3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.768 19.035 5.327 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.261 19.591 6.058 1.00 0.00 H new ATOM 0 HE ARG A 63 1.620 20.999 4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.768 20.979 5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.059 22.678 5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.064 23.132 3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.572 23.861 4.172 1.00 0.00 H new ATOM 968 N ARG A 64 4.882 14.105 4.614 1.00 0.00 N ATOM 969 CA ARG A 64 5.521 12.897 5.158 1.00 0.00 C ATOM 970 C ARG A 64 4.947 11.607 4.569 1.00 0.00 C ATOM 971 O ARG A 64 3.781 11.539 4.179 1.00 0.00 O ATOM 972 CB ARG A 64 5.503 12.878 6.701 1.00 0.00 C ATOM 973 CG ARG A 64 4.117 12.654 7.326 1.00 0.00 C ATOM 974 CD ARG A 64 4.200 12.593 8.854 1.00 0.00 C ATOM 975 NE ARG A 64 2.874 12.307 9.435 1.00 0.00 N ATOM 976 CZ ARG A 64 2.309 12.905 10.482 1.00 0.00 C ATOM 977 NH1 ARG A 64 2.925 13.830 11.188 1.00 0.00 N ATOM 978 NH2 ARG A 64 1.090 12.570 10.844 1.00 0.00 N ATOM 0 H ARG A 64 3.939 13.939 4.261 1.00 0.00 H new ATOM 0 HA ARG A 64 6.565 12.941 4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.174 12.093 7.049 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.903 13.824 7.067 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.446 13.460 7.028 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.689 11.726 6.945 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.909 11.821 9.155 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.576 13.540 9.241 1.00 0.00 H new ATOM 0 HE ARG A 64 2.331 11.570 8.985 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.873 14.114 10.940 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.455 14.262 11.983 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.582 11.855 10.323 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.653 13.025 11.645 1.00 0.00 H new ATOM 992 N TYR A 65 5.776 10.571 4.536 1.00 0.00 N ATOM 993 CA TYR A 65 5.491 9.268 3.930 1.00 0.00 C ATOM 994 C TYR A 65 6.294 8.157 4.623 1.00 0.00 C ATOM 995 O TYR A 65 7.385 8.401 5.141 1.00 0.00 O ATOM 996 CB TYR A 65 5.762 9.328 2.418 1.00 0.00 C ATOM 997 CG TYR A 65 7.184 9.698 2.036 1.00 0.00 C ATOM 998 CD1 TYR A 65 7.554 11.052 1.901 1.00 0.00 C ATOM 999 CD2 TYR A 65 8.143 8.689 1.820 1.00 0.00 C ATOM 1000 CE1 TYR A 65 8.878 11.396 1.577 1.00 0.00 C ATOM 1001 CE2 TYR A 65 9.464 9.025 1.474 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.840 10.383 1.361 1.00 0.00 C ATOM 1003 OH TYR A 65 11.128 10.708 1.064 1.00 0.00 O ATOM 0 H TYR A 65 6.708 10.614 4.948 1.00 0.00 H new ATOM 0 HA TYR A 65 4.437 9.026 4.070 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.526 8.357 1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.081 10.052 1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.817 11.828 2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.862 7.651 1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.160 12.435 1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.191 8.246 1.295 1.00 0.00 H new ATOM 0 HH TYR A 65 11.139 11.437 0.409 1.00 0.00 H new ATOM 1013 N GLY A 66 5.728 6.952 4.670 1.00 0.00 N ATOM 1014 CA GLY A 66 6.224 5.832 5.468 1.00 0.00 C ATOM 1015 C GLY A 66 5.778 4.468 4.960 1.00 0.00 C ATOM 1016 O GLY A 66 5.020 4.335 3.998 1.00 0.00 O ATOM 0 H GLY A 66 4.888 6.722 4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.313 5.864 5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.886 5.954 6.497 1.00 0.00 H new ATOM 1020 N TYR A 67 6.250 3.429 5.641 1.00 0.00 N ATOM 1021 CA TYR A 67 5.983 2.040 5.272 1.00 0.00 C ATOM 1022 C TYR A 67 6.246 1.063 6.429 1.00 0.00 C ATOM 1023 O TYR A 67 7.008 1.339 7.360 1.00 0.00 O ATOM 1024 CB TYR A 67 6.784 1.653 4.011 1.00 0.00 C ATOM 1025 CG TYR A 67 8.214 1.215 4.270 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.177 2.139 4.719 1.00 0.00 C ATOM 1027 CD2 TYR A 67 8.574 -0.132 4.092 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.492 1.720 4.998 1.00 0.00 C ATOM 1029 CE2 TYR A 67 9.883 -0.563 4.381 1.00 0.00 C ATOM 1030 CZ TYR A 67 10.852 0.365 4.828 1.00 0.00 C ATOM 1031 OH TYR A 67 12.130 -0.036 5.074 1.00 0.00 O ATOM 0 H TYR A 67 6.834 3.526 6.472 1.00 0.00 H new ATOM 0 HA TYR A 67 4.920 1.962 5.043 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.260 0.846 3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.798 2.505 3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.905 3.176 4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.843 -0.840 3.732 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.225 2.435 5.342 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.147 -1.603 4.261 1.00 0.00 H new ATOM 0 HH TYR A 67 12.314 -0.863 4.581 1.00 0.00 H new ATOM 1041 N ASP A 68 5.621 -0.098 6.329 1.00 0.00 N ATOM 1042 CA ASP A 68 5.837 -1.266 7.190 1.00 0.00 C ATOM 1043 C ASP A 68 5.984 -2.552 6.346 1.00 0.00 C ATOM 1044 O ASP A 68 6.004 -2.501 5.115 1.00 0.00 O ATOM 1045 CB ASP A 68 4.712 -1.339 8.243 1.00 0.00 C ATOM 1046 CG ASP A 68 5.236 -1.830 9.601 1.00 0.00 C ATOM 1047 OD1 ASP A 68 5.631 -3.015 9.698 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.264 -1.021 10.559 1.00 0.00 O ATOM 0 H ASP A 68 4.914 -0.268 5.614 1.00 0.00 H new ATOM 0 HA ASP A 68 6.777 -1.166 7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.260 -0.354 8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.928 -2.009 7.892 1.00 0.00 H new ATOM 1053 N SER A 69 6.110 -3.719 6.982 1.00 0.00 N ATOM 1054 CA SER A 69 6.475 -4.989 6.323 1.00 0.00 C ATOM 1055 C SER A 69 5.456 -5.520 5.293 1.00 0.00 C ATOM 1056 O SER A 69 5.798 -6.351 4.447 1.00 0.00 O ATOM 1057 CB SER A 69 6.749 -6.057 7.392 1.00 0.00 C ATOM 1058 OG SER A 69 5.625 -6.298 8.233 1.00 0.00 O ATOM 0 H SER A 69 5.960 -3.817 7.986 1.00 0.00 H new ATOM 0 HA SER A 69 7.370 -4.769 5.740 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.038 -6.988 6.903 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.594 -5.743 8.004 1.00 0.00 H new ATOM 0 HG SER A 69 5.852 -6.986 8.893 1.00 0.00 H new ATOM 1064 N ASN A 70 4.216 -5.021 5.341 1.00 0.00 N ATOM 1065 CA ASN A 70 3.116 -5.353 4.423 1.00 0.00 C ATOM 1066 C ASN A 70 2.092 -4.197 4.308 1.00 0.00 C ATOM 1067 O ASN A 70 0.885 -4.419 4.145 1.00 0.00 O ATOM 1068 CB ASN A 70 2.497 -6.697 4.865 1.00 0.00 C ATOM 1069 CG ASN A 70 1.517 -7.298 3.857 1.00 0.00 C ATOM 1070 OD1 ASN A 70 1.549 -7.024 2.664 1.00 0.00 O ATOM 1071 ND2 ASN A 70 0.605 -8.139 4.314 1.00 0.00 N ATOM 0 H ASN A 70 3.937 -4.344 6.052 1.00 0.00 H new ATOM 0 HA ASN A 70 3.497 -5.477 3.409 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.300 -7.412 5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.981 -6.552 5.814 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.069 -8.558 3.673 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.576 -8.369 5.307 1.00 0.00 H new ATOM 1078 N LEU A 71 2.554 -2.947 4.458 1.00 0.00 N ATOM 1079 CA LEU A 71 1.717 -1.742 4.517 1.00 0.00 C ATOM 1080 C LEU A 71 2.487 -0.523 3.988 1.00 0.00 C ATOM 1081 O LEU A 71 3.627 -0.288 4.379 1.00 0.00 O ATOM 1082 CB LEU A 71 1.269 -1.519 5.980 1.00 0.00 C ATOM 1083 CG LEU A 71 0.151 -0.468 6.149 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -1.224 -1.048 5.777 1.00 0.00 C ATOM 1085 CD2 LEU A 71 0.101 0.028 7.600 1.00 0.00 C ATOM 0 H LEU A 71 3.549 -2.742 4.544 1.00 0.00 H new ATOM 0 HA LEU A 71 0.838 -1.874 3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.924 -2.468 6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.133 -1.211 6.569 1.00 0.00 H new ATOM 0 HG LEU A 71 0.379 0.361 5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.989 -0.283 5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.212 -1.376 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.447 -1.897 6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.692 0.769 7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.098 -0.812 8.265 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.057 0.481 7.863 1.00 0.00 H new ATOM 1097 N PHE A 72 1.853 0.273 3.132 1.00 0.00 N ATOM 1098 CA PHE A 72 2.353 1.553 2.631 1.00 0.00 C ATOM 1099 C PHE A 72 1.417 2.671 3.099 1.00 0.00 C ATOM 1100 O PHE A 72 0.200 2.555 2.953 1.00 0.00 O ATOM 1101 CB PHE A 72 2.419 1.481 1.097 1.00 0.00 C ATOM 1102 CG PHE A 72 2.806 2.782 0.422 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.067 3.360 0.666 1.00 0.00 C ATOM 1104 CD2 PHE A 72 1.902 3.420 -0.450 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.416 4.576 0.054 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.258 4.629 -1.071 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.508 5.212 -0.811 1.00 0.00 C ATOM 0 H PHE A 72 0.937 0.035 2.751 1.00 0.00 H new ATOM 0 HA PHE A 72 3.351 1.763 3.015 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.137 0.712 0.813 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.447 1.165 0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.767 2.868 1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.935 2.979 -0.641 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.381 5.022 0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.569 5.110 -1.749 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.773 6.150 -1.276 1.00 0.00 H new ATOM 1117 N SER A 73 1.955 3.757 3.658 1.00 0.00 N ATOM 1118 CA SER A 73 1.121 4.883 4.123 1.00 0.00 C ATOM 1119 C SER A 73 1.792 6.256 3.988 1.00 0.00 C ATOM 1120 O SER A 73 3.009 6.392 4.108 1.00 0.00 O ATOM 1121 CB SER A 73 0.670 4.634 5.572 1.00 0.00 C ATOM 1122 OG SER A 73 -0.224 5.629 6.049 1.00 0.00 O ATOM 0 H SER A 73 2.956 3.887 3.802 1.00 0.00 H new ATOM 0 HA SER A 73 0.254 4.919 3.464 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.188 3.659 5.635 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.546 4.599 6.219 1.00 0.00 H new ATOM 0 HG SER A 73 -0.858 5.866 5.340 1.00 0.00 H new ATOM 1128 N PHE A 74 0.986 7.295 3.747 1.00 0.00 N ATOM 1129 CA PHE A 74 1.464 8.674 3.580 1.00 0.00 C ATOM 1130 C PHE A 74 0.439 9.733 4.004 1.00 0.00 C ATOM 1131 O PHE A 74 -0.770 9.492 4.011 1.00 0.00 O ATOM 1132 CB PHE A 74 1.947 8.897 2.135 1.00 0.00 C ATOM 1133 CG PHE A 74 0.882 8.687 1.076 1.00 0.00 C ATOM 1134 CD1 PHE A 74 0.037 9.747 0.690 1.00 0.00 C ATOM 1135 CD2 PHE A 74 0.724 7.418 0.486 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -0.966 9.535 -0.273 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -0.275 7.207 -0.477 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.124 8.262 -0.849 1.00 0.00 C ATOM 0 H PHE A 74 -0.026 7.203 3.661 1.00 0.00 H new ATOM 0 HA PHE A 74 2.307 8.802 4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.333 9.912 2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.778 8.221 1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.160 10.724 1.134 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.373 6.605 0.775 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.613 10.348 -0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.391 6.234 -0.932 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.901 8.095 -1.580 1.00 0.00 H new ATOM 1148 N GLU A 75 0.948 10.921 4.346 1.00 0.00 N ATOM 1149 CA GLU A 75 0.162 12.120 4.626 1.00 0.00 C ATOM 1150 C GLU A 75 0.157 13.023 3.388 1.00 0.00 C ATOM 1151 O GLU A 75 1.212 13.341 2.831 1.00 0.00 O ATOM 1152 CB GLU A 75 0.751 12.873 5.830 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.162 14.018 6.294 1.00 0.00 C ATOM 1154 CD GLU A 75 0.454 14.795 7.466 1.00 0.00 C ATOM 1155 OE1 GLU A 75 1.389 15.596 7.235 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -0.016 14.623 8.614 1.00 0.00 O ATOM 0 H GLU A 75 1.952 11.076 4.438 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.861 11.832 4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.906 12.176 6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.729 13.274 5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.344 14.698 5.462 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.129 13.614 6.593 1.00 0.00 H new ATOM 1163 N SER A 76 -1.025 13.469 2.976 1.00 0.00 N ATOM 1164 CA SER A 76 -1.197 14.396 1.855 1.00 0.00 C ATOM 1165 C SER A 76 -1.690 15.773 2.324 1.00 0.00 C ATOM 1166 O SER A 76 -2.456 15.890 3.287 1.00 0.00 O ATOM 1167 CB SER A 76 -2.128 13.787 0.809 1.00 0.00 C ATOM 1168 OG SER A 76 -1.762 14.307 -0.452 1.00 0.00 O ATOM 0 H SER A 76 -1.904 13.195 3.415 1.00 0.00 H new ATOM 0 HA SER A 76 -0.223 14.558 1.393 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.046 12.700 0.812 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.166 14.029 1.035 1.00 0.00 H new ATOM 0 HG SER A 76 -2.227 13.811 -1.158 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.200 16.827 1.659 1.00 0.00 N ATOM 1175 CA GLY A 77 -1.352 18.223 2.072 1.00 0.00 C ATOM 1176 C GLY A 77 -2.732 18.825 1.809 1.00 0.00 C ATOM 1177 O GLY A 77 -3.573 18.270 1.105 1.00 0.00 O ATOM 0 H GLY A 77 -0.671 16.726 0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.137 18.297 3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.605 18.824 1.553 1.00 0.00 H new ATOM 1181 N ARG A 78 -2.938 20.024 2.363 1.00 0.00 N ATOM 1182 CA ARG A 78 -4.221 20.753 2.394 1.00 0.00 C ATOM 1183 C ARG A 78 -4.709 21.252 1.018 1.00 0.00 C ATOM 1184 O ARG A 78 -5.853 21.695 0.888 1.00 0.00 O ATOM 1185 CB ARG A 78 -4.115 21.941 3.376 1.00 0.00 C ATOM 1186 CG ARG A 78 -3.431 21.560 4.701 1.00 0.00 C ATOM 1187 CD ARG A 78 -3.527 22.628 5.799 1.00 0.00 C ATOM 1188 NE ARG A 78 -2.748 23.838 5.473 1.00 0.00 N ATOM 1189 CZ ARG A 78 -2.479 24.840 6.303 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -2.908 24.851 7.550 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -1.762 25.860 5.880 1.00 0.00 N ATOM 0 H ARG A 78 -2.187 20.539 2.823 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.969 20.033 2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.556 22.749 2.903 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.114 22.324 3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.875 20.636 5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.379 21.352 4.505 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.572 22.900 5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.169 22.211 6.741 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.383 23.912 4.524 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.465 24.074 7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.683 25.637 8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.417 25.878 4.920 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.552 26.633 6.512 1.00 0.00 H new ATOM 1205 N ARG A 79 -3.842 21.168 0.002 1.00 0.00 N ATOM 1206 CA ARG A 79 -4.034 21.656 -1.374 1.00 0.00 C ATOM 1207 C ARG A 79 -3.773 20.567 -2.440 1.00 0.00 C ATOM 1208 O ARG A 79 -2.820 20.647 -3.223 1.00 0.00 O ATOM 1209 CB ARG A 79 -3.203 22.937 -1.590 1.00 0.00 C ATOM 1210 CG ARG A 79 -1.706 22.776 -1.242 1.00 0.00 C ATOM 1211 CD ARG A 79 -0.791 23.509 -2.230 1.00 0.00 C ATOM 1212 NE ARG A 79 -0.827 22.861 -3.554 1.00 0.00 N ATOM 1213 CZ ARG A 79 -0.204 23.269 -4.652 1.00 0.00 C ATOM 1214 NH1 ARG A 79 0.573 24.334 -4.661 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -0.366 22.598 -5.770 1.00 0.00 N ATOM 0 H ARG A 79 -2.929 20.730 0.124 1.00 0.00 H new ATOM 0 HA ARG A 79 -5.085 21.913 -1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.293 23.246 -2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -3.623 23.738 -0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -1.527 23.156 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.450 21.716 -1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.104 24.549 -2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.231 23.516 -1.851 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.388 22.013 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.710 24.872 -3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.037 24.620 -5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.966 21.773 -5.787 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.108 22.902 -6.621 1.00 0.00 H new ATOM 1229 N CYS A 80 -4.646 19.557 -2.475 1.00 0.00 N ATOM 1230 CA CYS A 80 -4.687 18.460 -3.462 1.00 0.00 C ATOM 1231 C CYS A 80 -6.129 17.937 -3.665 1.00 0.00 C ATOM 1232 O CYS A 80 -7.060 18.460 -3.049 1.00 0.00 O ATOM 1233 CB CYS A 80 -3.693 17.365 -3.024 1.00 0.00 C ATOM 1234 SG CYS A 80 -4.314 16.483 -1.562 1.00 0.00 S ATOM 0 H CYS A 80 -5.387 19.472 -1.779 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.377 18.824 -4.442 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.537 16.661 -3.841 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.725 17.814 -2.801 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.034 17.166 -0.492 1.00 0.00 H new ATOM 1240 N GLN A 81 -6.330 16.911 -4.508 1.00 0.00 N ATOM 1241 CA GLN A 81 -7.663 16.392 -4.872 1.00 0.00 C ATOM 1242 C GLN A 81 -8.482 15.934 -3.647 1.00 0.00 C ATOM 1243 O GLN A 81 -9.698 16.149 -3.604 1.00 0.00 O ATOM 1244 CB GLN A 81 -7.508 15.222 -5.872 1.00 0.00 C ATOM 1245 CG GLN A 81 -8.827 14.899 -6.606 1.00 0.00 C ATOM 1246 CD GLN A 81 -8.868 13.481 -7.184 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -9.506 12.589 -6.640 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -8.203 13.208 -8.290 1.00 0.00 N ATOM 0 H GLN A 81 -5.565 16.412 -4.962 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.215 17.211 -5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.740 15.472 -6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.165 14.335 -5.339 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.660 15.026 -5.914 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.971 15.617 -7.413 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.666 13.940 -8.756 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.226 12.265 -8.679 1.00 0.00 H new ATOM 1257 N THR A 82 -7.818 15.340 -2.645 1.00 0.00 N ATOM 1258 CA THR A 82 -8.432 14.792 -1.423 1.00 0.00 C ATOM 1259 C THR A 82 -8.345 15.732 -0.218 1.00 0.00 C ATOM 1260 O THR A 82 -8.918 15.428 0.828 1.00 0.00 O ATOM 1261 CB THR A 82 -7.798 13.437 -1.077 1.00 0.00 C ATOM 1262 OG1 THR A 82 -6.399 13.582 -0.959 1.00 0.00 O ATOM 1263 CG2 THR A 82 -8.078 12.386 -2.153 1.00 0.00 C ATOM 0 H THR A 82 -6.805 15.223 -2.662 1.00 0.00 H new ATOM 0 HA THR A 82 -9.493 14.668 -1.642 1.00 0.00 H new ATOM 0 HB THR A 82 -8.238 13.105 -0.137 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.062 12.960 -0.281 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.612 11.442 -1.870 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.154 12.244 -2.252 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.667 12.722 -3.105 1.00 0.00 H new ATOM 1271 N GLY A 83 -7.619 16.849 -0.328 1.00 0.00 N ATOM 1272 CA GLY A 83 -7.282 17.718 0.800 1.00 0.00 C ATOM 1273 C GLY A 83 -6.399 17.006 1.831 1.00 0.00 C ATOM 1274 O GLY A 83 -5.745 16.001 1.539 1.00 0.00 O ATOM 0 H GLY A 83 -7.244 17.178 -1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.766 18.605 0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.199 18.059 1.282 1.00 0.00 H new ATOM 1278 N GLN A 84 -6.392 17.542 3.050 1.00 0.00 N ATOM 1279 CA GLN A 84 -5.624 16.994 4.169 1.00 0.00 C ATOM 1280 C GLN A 84 -6.138 15.595 4.553 1.00 0.00 C ATOM 1281 O GLN A 84 -7.339 15.400 4.769 1.00 0.00 O ATOM 1282 CB GLN A 84 -5.694 17.970 5.356 1.00 0.00 C ATOM 1283 CG GLN A 84 -4.714 17.592 6.479 1.00 0.00 C ATOM 1284 CD GLN A 84 -4.769 18.586 7.641 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -4.099 19.611 7.652 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -5.569 18.337 8.660 1.00 0.00 N ATOM 0 H GLN A 84 -6.924 18.378 3.292 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.581 16.879 3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.473 18.979 5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.709 17.985 5.752 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.949 16.592 6.845 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.700 17.556 6.080 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.135 17.488 8.669 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.622 18.993 9.439 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.227 14.621 4.658 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.544 13.247 5.056 1.00 0.00 C ATOM 1297 C GLY A 85 -4.320 12.343 5.174 1.00 0.00 C ATOM 1298 O GLY A 85 -3.251 12.648 4.646 1.00 0.00 O ATOM 0 H GLY A 85 -4.236 14.768 4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.064 13.267 6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.233 12.817 4.329 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.498 11.207 5.851 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.511 10.121 5.974 1.00 0.00 C ATOM 1304 C ILE A 86 -4.150 8.854 5.408 1.00 0.00 C ATOM 1305 O ILE A 86 -5.193 8.420 5.903 1.00 0.00 O ATOM 1306 CB ILE A 86 -3.067 9.927 7.444 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.375 11.200 7.985 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -2.119 8.714 7.557 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -2.116 11.175 9.496 1.00 0.00 C ATOM 0 H ILE A 86 -5.365 11.006 6.349 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.608 10.366 5.415 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.955 9.741 8.048 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.426 11.333 7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.993 12.066 7.747 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.813 8.587 8.595 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.635 7.816 7.218 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.238 8.882 6.937 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.629 12.102 9.797 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.063 11.074 10.026 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.472 10.330 9.741 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.530 8.277 4.381 1.00 0.00 N ATOM 1322 CA PHE A 87 -4.060 7.153 3.606 1.00 0.00 C ATOM 1323 C PHE A 87 -3.132 5.941 3.737 1.00 0.00 C ATOM 1324 O PHE A 87 -1.911 6.098 3.822 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.218 7.592 2.141 1.00 0.00 C ATOM 1326 CG PHE A 87 -5.062 8.841 1.963 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.449 8.790 2.195 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.459 10.065 1.607 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.230 9.953 2.070 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -5.240 11.229 1.490 1.00 0.00 C ATOM 1331 CZ PHE A 87 -6.624 11.174 1.726 1.00 0.00 C ATOM 0 H PHE A 87 -2.615 8.588 4.053 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.037 6.857 3.988 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.230 7.769 1.716 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.668 6.777 1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.915 7.855 2.470 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.396 10.109 1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.296 9.908 2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.776 12.166 1.219 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.222 12.069 1.643 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.700 4.733 3.755 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.957 3.497 3.999 1.00 0.00 C ATOM 1343 C ALA A 88 -3.467 2.325 3.157 1.00 0.00 C ATOM 1344 O ALA A 88 -4.677 2.147 2.945 1.00 0.00 O ATOM 1345 CB ALA A 88 -2.995 3.170 5.496 1.00 0.00 C ATOM 0 H ALA A 88 -4.697 4.585 3.599 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.924 3.657 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.442 2.249 5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.540 3.986 6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.030 3.042 5.814 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.507 1.522 2.695 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.726 0.441 1.739 1.00 0.00 C ATOM 1353 C PHE A 89 -1.926 -0.817 2.088 1.00 0.00 C ATOM 1354 O PHE A 89 -0.729 -0.750 2.360 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.358 0.913 0.323 1.00 0.00 C ATOM 1356 CG PHE A 89 -2.966 2.238 -0.097 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.330 3.450 0.241 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.185 2.260 -0.797 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -2.926 4.677 -0.098 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -4.775 3.488 -1.139 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.144 4.697 -0.795 1.00 0.00 C ATOM 0 H PHE A 89 -1.533 1.609 2.984 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.783 0.179 1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.273 0.992 0.255 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.667 0.148 -0.389 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.384 3.436 0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.667 1.334 -1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.447 5.605 0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.716 3.504 -1.668 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.596 5.639 -1.067 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.567 -1.984 2.003 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.926 -3.294 2.091 1.00 0.00 C ATOM 1373 C LYS A 90 -1.116 -3.540 0.809 1.00 0.00 C ATOM 1374 O LYS A 90 -1.647 -3.359 -0.292 1.00 0.00 O ATOM 1375 CB LYS A 90 -3.013 -4.382 2.268 1.00 0.00 C ATOM 1376 CG LYS A 90 -2.648 -5.393 3.363 1.00 0.00 C ATOM 1377 CD LYS A 90 -3.103 -4.884 4.739 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.507 -5.704 5.893 1.00 0.00 C ATOM 1379 NZ LYS A 90 -1.100 -5.321 6.182 1.00 0.00 N ATOM 0 H LYS A 90 -3.576 -2.044 1.867 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.253 -3.331 2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.963 -3.908 2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.156 -4.907 1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.118 -6.353 3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.571 -5.559 3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.813 -3.839 4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.191 -4.920 4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.112 -5.562 6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.550 -6.764 5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.593 -6.136 6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.634 -5.022 5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.087 -4.536 6.864 1.00 0.00 H new ATOM 1393 N CYS A 91 0.150 -3.946 0.943 1.00 0.00 N ATOM 1394 CA CYS A 91 1.035 -4.221 -0.192 1.00 0.00 C ATOM 1395 C CYS A 91 2.283 -5.009 0.241 1.00 0.00 C ATOM 1396 O CYS A 91 3.061 -4.539 1.072 1.00 0.00 O ATOM 1397 CB CYS A 91 1.426 -2.890 -0.863 1.00 0.00 C ATOM 1398 SG CYS A 91 2.269 -3.235 -2.433 1.00 0.00 S ATOM 0 H CYS A 91 0.593 -4.094 1.850 1.00 0.00 H new ATOM 0 HA CYS A 91 0.502 -4.844 -0.910 1.00 0.00 H new ATOM 0 HB2 CYS A 91 0.538 -2.284 -1.040 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.078 -2.316 -0.205 1.00 0.00 H new ATOM 0 HG CYS A 91 1.385 -3.437 -3.365 1.00 0.00 H new ATOM 1404 N SER A 92 2.524 -6.167 -0.371 1.00 0.00 N ATOM 1405 CA SER A 92 3.676 -7.041 -0.072 1.00 0.00 C ATOM 1406 C SER A 92 5.028 -6.494 -0.584 1.00 0.00 C ATOM 1407 O SER A 92 6.079 -7.092 -0.335 1.00 0.00 O ATOM 1408 CB SER A 92 3.427 -8.439 -0.666 1.00 0.00 C ATOM 1409 OG SER A 92 2.124 -8.932 -0.364 1.00 0.00 O ATOM 0 H SER A 92 1.918 -6.538 -1.103 1.00 0.00 H new ATOM 0 HA SER A 92 3.755 -7.085 1.014 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.556 -8.400 -1.748 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.174 -9.133 -0.281 1.00 0.00 H new ATOM 0 HG SER A 92 2.010 -9.820 -0.762 1.00 0.00 H new ATOM 1415 N ARG A 93 5.003 -5.351 -1.286 1.00 0.00 N ATOM 1416 CA ARG A 93 6.152 -4.637 -1.867 1.00 0.00 C ATOM 1417 C ARG A 93 6.140 -3.138 -1.505 1.00 0.00 C ATOM 1418 O ARG A 93 6.753 -2.315 -2.186 1.00 0.00 O ATOM 1419 CB ARG A 93 6.300 -4.951 -3.381 1.00 0.00 C ATOM 1420 CG ARG A 93 5.009 -5.265 -4.154 1.00 0.00 C ATOM 1421 CD ARG A 93 5.333 -5.656 -5.602 1.00 0.00 C ATOM 1422 NE ARG A 93 4.101 -5.879 -6.380 1.00 0.00 N ATOM 1423 CZ ARG A 93 4.014 -6.487 -7.558 1.00 0.00 C ATOM 1424 NH1 ARG A 93 5.079 -6.937 -8.183 1.00 0.00 N ATOM 1425 NH2 ARG A 93 2.843 -6.668 -8.127 1.00 0.00 N ATOM 0 H ARG A 93 4.124 -4.869 -1.476 1.00 0.00 H new ATOM 0 HA ARG A 93 7.068 -5.013 -1.411 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.783 -4.099 -3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.975 -5.801 -3.487 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.472 -6.077 -3.663 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.351 -4.396 -4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.925 -4.870 -6.070 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.941 -6.561 -5.610 1.00 0.00 H new ATOM 0 HE ARG A 93 3.231 -5.533 -5.975 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.002 -6.823 -7.764 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.982 -7.400 -9.087 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.995 -6.341 -7.664 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.782 -7.135 -9.032 1.00 0.00 H new ATOM 1439 N ALA A 94 5.499 -2.779 -0.383 1.00 0.00 N ATOM 1440 CA ALA A 94 5.444 -1.421 0.176 1.00 0.00 C ATOM 1441 C ALA A 94 6.820 -0.742 0.327 1.00 0.00 C ATOM 1442 O ALA A 94 6.928 0.462 0.102 1.00 0.00 O ATOM 1443 CB ALA A 94 4.747 -1.511 1.539 1.00 0.00 C ATOM 0 H ALA A 94 4.984 -3.454 0.182 1.00 0.00 H new ATOM 0 HA ALA A 94 4.894 -0.794 -0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.689 -0.518 1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.741 -1.909 1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.315 -2.170 2.195 1.00 0.00 H new ATOM 1449 N GLU A 95 7.869 -1.511 0.641 1.00 0.00 N ATOM 1450 CA GLU A 95 9.251 -1.023 0.728 1.00 0.00 C ATOM 1451 C GLU A 95 9.757 -0.459 -0.611 1.00 0.00 C ATOM 1452 O GLU A 95 10.433 0.568 -0.626 1.00 0.00 O ATOM 1453 CB GLU A 95 10.154 -2.167 1.218 1.00 0.00 C ATOM 1454 CG GLU A 95 11.603 -1.727 1.462 1.00 0.00 C ATOM 1455 CD GLU A 95 12.401 -2.821 2.188 1.00 0.00 C ATOM 1456 OE1 GLU A 95 12.842 -3.792 1.528 1.00 0.00 O ATOM 1457 OE2 GLU A 95 12.598 -2.716 3.422 1.00 0.00 O ATOM 0 H GLU A 95 7.780 -2.506 0.845 1.00 0.00 H new ATOM 0 HA GLU A 95 9.280 -0.197 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.744 -2.575 2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.144 -2.971 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.081 -1.496 0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.613 -0.812 2.054 1.00 0.00 H new ATOM 1464 N GLU A 96 9.393 -1.077 -1.739 1.00 0.00 N ATOM 1465 CA GLU A 96 9.783 -0.602 -3.067 1.00 0.00 C ATOM 1466 C GLU A 96 8.958 0.607 -3.514 1.00 0.00 C ATOM 1467 O GLU A 96 9.488 1.456 -4.229 1.00 0.00 O ATOM 1468 CB GLU A 96 9.702 -1.738 -4.094 1.00 0.00 C ATOM 1469 CG GLU A 96 10.755 -2.827 -3.848 1.00 0.00 C ATOM 1470 CD GLU A 96 12.181 -2.342 -4.166 1.00 0.00 C ATOM 1471 OE1 GLU A 96 12.831 -1.720 -3.290 1.00 0.00 O ATOM 1472 OE2 GLU A 96 12.667 -2.592 -5.295 1.00 0.00 O ATOM 0 H GLU A 96 8.820 -1.920 -1.755 1.00 0.00 H new ATOM 0 HA GLU A 96 10.819 -0.270 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.708 -2.184 -4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.834 -1.329 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.706 -3.148 -2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.524 -3.698 -4.462 1.00 0.00 H new ATOM 1479 N ILE A 97 7.710 0.752 -3.047 1.00 0.00 N ATOM 1480 CA ILE A 97 6.941 1.993 -3.248 1.00 0.00 C ATOM 1481 C ILE A 97 7.602 3.139 -2.470 1.00 0.00 C ATOM 1482 O ILE A 97 7.834 4.203 -3.041 1.00 0.00 O ATOM 1483 CB ILE A 97 5.446 1.843 -2.866 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.798 0.591 -3.503 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.696 3.110 -3.327 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.328 0.369 -3.122 1.00 0.00 C ATOM 0 H ILE A 97 7.211 0.029 -2.529 1.00 0.00 H new ATOM 0 HA ILE A 97 6.955 2.223 -4.313 1.00 0.00 H new ATOM 0 HB ILE A 97 5.379 1.720 -1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.870 0.673 -4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.372 -0.288 -3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.641 3.023 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.121 3.984 -2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.795 3.219 -4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.956 -0.530 -3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.246 0.252 -2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.736 1.227 -3.440 1.00 0.00 H new ATOM 1498 N PHE A 98 7.971 2.915 -1.202 1.00 0.00 N ATOM 1499 CA PHE A 98 8.668 3.891 -0.368 1.00 0.00 C ATOM 1500 C PHE A 98 10.028 4.306 -0.960 1.00 0.00 C ATOM 1501 O PHE A 98 10.303 5.501 -1.075 1.00 0.00 O ATOM 1502 CB PHE A 98 8.800 3.276 1.029 1.00 0.00 C ATOM 1503 CG PHE A 98 9.547 4.121 2.038 1.00 0.00 C ATOM 1504 CD1 PHE A 98 8.866 5.101 2.783 1.00 0.00 C ATOM 1505 CD2 PHE A 98 10.921 3.901 2.257 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.553 5.842 3.760 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.605 4.645 3.233 1.00 0.00 C ATOM 1508 CZ PHE A 98 10.916 5.601 3.997 1.00 0.00 C ATOM 0 H PHE A 98 7.788 2.033 -0.723 1.00 0.00 H new ATOM 0 HA PHE A 98 8.098 4.819 -0.318 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.801 3.075 1.416 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.306 2.315 0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.817 5.284 2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.449 3.160 1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.032 6.598 4.329 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.660 4.482 3.396 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.435 6.151 4.768 1.00 0.00 H new ATOM 1518 N ASN A 99 10.848 3.341 -1.398 1.00 0.00 N ATOM 1519 CA ASN A 99 12.130 3.599 -2.066 1.00 0.00 C ATOM 1520 C ASN A 99 11.944 4.415 -3.359 1.00 0.00 C ATOM 1521 O ASN A 99 12.604 5.437 -3.546 1.00 0.00 O ATOM 1522 CB ASN A 99 12.833 2.268 -2.394 1.00 0.00 C ATOM 1523 CG ASN A 99 13.393 1.534 -1.176 1.00 0.00 C ATOM 1524 OD1 ASN A 99 13.719 2.127 -0.152 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.567 0.226 -1.259 1.00 0.00 N ATOM 0 H ASN A 99 10.637 2.348 -1.297 1.00 0.00 H new ATOM 0 HA ASN A 99 12.746 4.183 -1.382 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.126 1.614 -2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.647 2.463 -3.092 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.970 -0.286 -0.474 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.298 -0.271 -2.108 1.00 0.00 H new ATOM 1532 N LEU A 100 11.015 4.010 -4.231 1.00 0.00 N ATOM 1533 CA LEU A 100 10.730 4.706 -5.488 1.00 0.00 C ATOM 1534 C LEU A 100 10.202 6.127 -5.248 1.00 0.00 C ATOM 1535 O LEU A 100 10.609 7.055 -5.943 1.00 0.00 O ATOM 1536 CB LEU A 100 9.726 3.846 -6.275 1.00 0.00 C ATOM 1537 CG LEU A 100 9.306 4.416 -7.637 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.496 4.517 -8.603 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.229 3.508 -8.236 1.00 0.00 C ATOM 0 H LEU A 100 10.436 3.184 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 100 11.647 4.830 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.161 2.859 -6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.833 3.709 -5.665 1.00 0.00 H new ATOM 0 HG LEU A 100 8.919 5.424 -7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.158 4.925 -9.556 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.256 5.172 -8.177 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.920 3.526 -8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.920 3.900 -9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.630 2.502 -8.363 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.369 3.474 -7.567 1.00 0.00 H new ATOM 1551 N LEU A 101 9.343 6.316 -4.245 1.00 0.00 N ATOM 1552 CA LEU A 101 8.796 7.620 -3.875 1.00 0.00 C ATOM 1553 C LEU A 101 9.890 8.612 -3.476 1.00 0.00 C ATOM 1554 O LEU A 101 9.903 9.721 -4.012 1.00 0.00 O ATOM 1555 CB LEU A 101 7.769 7.417 -2.744 1.00 0.00 C ATOM 1556 CG LEU A 101 7.076 8.703 -2.261 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.280 9.369 -3.388 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.136 8.358 -1.102 1.00 0.00 C ATOM 0 H LEU A 101 9.003 5.554 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 101 8.302 8.059 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.007 6.717 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.271 6.952 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 101 7.842 9.406 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.804 10.274 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.953 9.626 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.516 8.681 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.640 9.264 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.387 7.643 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.711 7.921 -0.285 1.00 0.00 H new ATOM 1570 N GLN A 102 10.811 8.229 -2.583 1.00 0.00 N ATOM 1571 CA GLN A 102 11.929 9.099 -2.222 1.00 0.00 C ATOM 1572 C GLN A 102 12.871 9.334 -3.412 1.00 0.00 C ATOM 1573 O GLN A 102 13.294 10.468 -3.624 1.00 0.00 O ATOM 1574 CB GLN A 102 12.682 8.580 -0.980 1.00 0.00 C ATOM 1575 CG GLN A 102 13.360 7.215 -1.134 1.00 0.00 C ATOM 1576 CD GLN A 102 14.305 6.875 0.017 1.00 0.00 C ATOM 1577 OE1 GLN A 102 13.918 6.748 1.171 1.00 0.00 O ATOM 1578 NE2 GLN A 102 15.580 6.696 -0.255 1.00 0.00 N ATOM 0 H GLN A 102 10.802 7.329 -2.102 1.00 0.00 H new ATOM 0 HA GLN A 102 11.510 10.068 -1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.441 9.313 -0.706 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.979 8.524 -0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.594 6.443 -1.206 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.918 7.198 -2.070 1.00 0.00 H new ATOM 0 HE21 GLN A 102 15.917 6.799 -1.212 1.00 0.00 H new ATOM 0 HE22 GLN A 102 16.232 6.455 0.492 1.00 0.00 H new ATOM 1587 N ASP A 103 13.137 8.310 -4.233 1.00 0.00 N ATOM 1588 CA ASP A 103 14.039 8.396 -5.386 1.00 0.00 C ATOM 1589 C ASP A 103 13.547 9.408 -6.436 1.00 0.00 C ATOM 1590 O ASP A 103 14.353 10.165 -6.978 1.00 0.00 O ATOM 1591 CB ASP A 103 14.206 7.005 -6.029 1.00 0.00 C ATOM 1592 CG ASP A 103 15.101 6.022 -5.245 1.00 0.00 C ATOM 1593 OD1 ASP A 103 15.886 6.446 -4.363 1.00 0.00 O ATOM 1594 OD2 ASP A 103 15.036 4.809 -5.559 1.00 0.00 O ATOM 0 H ASP A 103 12.725 7.385 -4.112 1.00 0.00 H new ATOM 0 HA ASP A 103 15.003 8.750 -5.021 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.220 6.557 -6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.622 7.132 -7.029 1.00 0.00 H new ATOM 1599 N LEU A 104 12.231 9.464 -6.682 1.00 0.00 N ATOM 1600 CA LEU A 104 11.608 10.384 -7.642 1.00 0.00 C ATOM 1601 C LEU A 104 11.400 11.805 -7.092 1.00 0.00 C ATOM 1602 O LEU A 104 11.177 12.726 -7.882 1.00 0.00 O ATOM 1603 CB LEU A 104 10.268 9.794 -8.117 1.00 0.00 C ATOM 1604 CG LEU A 104 10.393 8.471 -8.893 1.00 0.00 C ATOM 1605 CD1 LEU A 104 9.001 7.857 -9.077 1.00 0.00 C ATOM 1606 CD2 LEU A 104 11.059 8.664 -10.267 1.00 0.00 C ATOM 0 H LEU A 104 11.558 8.860 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 104 12.300 10.486 -8.478 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.628 9.633 -7.249 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.767 10.526 -8.750 1.00 0.00 H new ATOM 0 HG LEU A 104 11.029 7.803 -8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.087 6.920 -9.627 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.556 7.666 -8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.369 8.548 -9.635 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.125 7.703 -10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.464 9.353 -10.866 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.060 9.073 -10.132 1.00 0.00 H new ATOM 1618 N MET A 105 11.496 12.008 -5.769 1.00 0.00 N ATOM 1619 CA MET A 105 11.501 13.357 -5.165 1.00 0.00 C ATOM 1620 C MET A 105 12.903 13.902 -4.845 1.00 0.00 C ATOM 1621 O MET A 105 13.080 15.121 -4.820 1.00 0.00 O ATOM 1622 CB MET A 105 10.537 13.457 -3.972 1.00 0.00 C ATOM 1623 CG MET A 105 10.939 12.697 -2.714 1.00 0.00 C ATOM 1624 SD MET A 105 10.203 13.297 -1.168 1.00 0.00 S ATOM 1625 CE MET A 105 8.439 13.312 -1.588 1.00 0.00 C ATOM 0 H MET A 105 11.572 11.251 -5.089 1.00 0.00 H new ATOM 0 HA MET A 105 11.122 14.022 -5.941 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.421 14.509 -3.713 1.00 0.00 H new ATOM 0 HB3 MET A 105 9.559 13.097 -4.291 1.00 0.00 H new ATOM 0 HG2 MET A 105 10.668 11.649 -2.842 1.00 0.00 H new ATOM 0 HG3 MET A 105 12.024 12.736 -2.618 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.848 13.183 -0.681 1.00 0.00 H new ATOM 0 HE2 MET A 105 8.184 14.263 -2.055 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.223 12.499 -2.281 1.00 0.00 H new ATOM 2019 N PHE A 136 -10.346 6.311 2.794 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.402 6.284 4.258 1.00 0.00 C ATOM 2021 C PHE A 136 -9.229 7.074 4.866 1.00 0.00 C ATOM 2022 O PHE A 136 -8.066 6.736 4.637 1.00 0.00 O ATOM 2023 CB PHE A 136 -10.425 4.830 4.758 1.00 0.00 C ATOM 2024 CG PHE A 136 -10.823 4.708 6.220 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -9.891 4.969 7.245 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -12.150 4.378 6.555 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -10.295 4.921 8.592 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -12.546 4.312 7.903 1.00 0.00 C ATOM 2029 CZ PHE A 136 -11.620 4.590 8.922 1.00 0.00 C ATOM 0 HA PHE A 136 -11.322 6.769 4.585 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -11.121 4.254 4.149 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -9.438 4.388 4.618 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -8.867 5.206 6.996 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -12.867 4.175 5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -9.584 5.139 9.375 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -13.562 4.047 8.155 1.00 0.00 H new ATOM 0 HZ PHE A 136 -11.926 4.549 9.957 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.545 8.108 5.656 1.00 0.00 N ATOM 2040 CA ARG A 137 -8.566 8.965 6.340 1.00 0.00 C ATOM 2041 C ARG A 137 -8.325 8.466 7.767 1.00 0.00 C ATOM 2042 O ARG A 137 -9.250 8.423 8.581 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.046 10.427 6.358 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.006 11.052 4.958 1.00 0.00 C ATOM 2045 CD ARG A 137 -9.617 12.461 4.956 1.00 0.00 C ATOM 2046 NE ARG A 137 -9.709 13.023 3.597 1.00 0.00 N ATOM 2047 CZ ARG A 137 -10.589 12.682 2.659 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -11.448 11.698 2.808 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -10.621 13.334 1.525 1.00 0.00 N ATOM 0 H ARG A 137 -10.511 8.379 5.842 1.00 0.00 H new ATOM 0 HA ARG A 137 -7.625 8.918 5.791 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.063 10.472 6.748 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.419 11.008 7.034 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -7.975 11.101 4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -9.550 10.417 4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -10.611 12.425 5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -9.012 13.119 5.580 1.00 0.00 H new ATOM 0 HE ARG A 137 -9.031 13.745 3.351 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -11.459 11.157 3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.103 11.475 2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -9.972 14.103 1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -11.295 13.073 0.806 1.00 0.00 H new ATOM 2063 N LEU A 138 -7.079 8.107 8.077 1.00 0.00 N ATOM 2064 CA LEU A 138 -6.653 7.699 9.419 1.00 0.00 C ATOM 2065 C LEU A 138 -6.498 8.918 10.342 1.00 0.00 C ATOM 2066 O LEU A 138 -6.015 9.969 9.914 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.334 6.910 9.325 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.385 5.645 8.448 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.013 4.970 8.463 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.420 4.635 8.948 1.00 0.00 C ATOM 0 H LEU A 138 -6.323 8.091 7.392 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.420 7.056 9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.561 7.572 8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.029 6.623 10.331 1.00 0.00 H new ATOM 0 HG LEU A 138 -5.667 5.956 7.442 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.042 4.073 7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.265 5.658 8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.753 4.697 9.486 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.419 3.760 8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.170 4.331 9.965 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.409 5.093 8.938 1.00 0.00 H new ATOM 2082 N ARG A 139 -6.883 8.761 11.614 1.00 0.00 N ATOM 2083 CA ARG A 139 -6.755 9.805 12.649 1.00 0.00 C ATOM 2084 C ARG A 139 -5.302 10.069 13.074 1.00 0.00 C ATOM 2085 O ARG A 139 -4.967 11.159 13.540 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.571 9.392 13.882 1.00 0.00 C ATOM 2087 CG ARG A 139 -9.083 9.515 13.636 1.00 0.00 C ATOM 2088 CD ARG A 139 -9.910 9.259 14.902 1.00 0.00 C ATOM 2089 NE ARG A 139 -9.816 7.860 15.357 1.00 0.00 N ATOM 2090 CZ ARG A 139 -10.343 7.363 16.472 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -11.030 8.109 17.314 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -10.183 6.089 16.756 1.00 0.00 N ATOM 0 H ARG A 139 -7.298 7.897 11.962 1.00 0.00 H new ATOM 0 HA ARG A 139 -7.131 10.731 12.214 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.329 8.363 14.149 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -7.289 10.016 14.730 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -9.306 10.512 13.257 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.380 8.806 12.863 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.568 9.921 15.697 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -10.954 9.507 14.708 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.299 7.213 14.761 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -11.171 9.100 17.119 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -11.421 7.695 18.160 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -9.657 5.487 16.122 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -10.585 5.702 17.610 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.456 9.058 12.908 1.00 0.00 N ATOM 2107 CA HIS A 140 -3.038 8.974 13.279 1.00 0.00 C ATOM 2108 C HIS A 140 -2.207 8.287 12.168 1.00 0.00 C ATOM 2109 O HIS A 140 -2.765 7.692 11.242 1.00 0.00 O ATOM 2110 CB HIS A 140 -2.943 8.202 14.608 1.00 0.00 C ATOM 2111 CG HIS A 140 -3.474 6.793 14.507 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -2.762 5.686 14.036 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -4.766 6.420 14.738 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -3.651 4.678 13.992 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -4.863 5.089 14.406 1.00 0.00 N ATOM 0 H HIS A 140 -4.770 8.192 12.469 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.624 9.975 13.400 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -1.902 8.171 14.931 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -3.499 8.740 15.376 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.561 7.050 15.110 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -3.423 3.673 13.668 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -5.704 4.515 14.463 1.00 0.00 H new ATOM 2123 N PHE A 141 -0.872 8.358 12.250 1.00 0.00 N ATOM 2124 CA PHE A 141 0.026 7.735 11.271 1.00 0.00 C ATOM 2125 C PHE A 141 0.357 6.274 11.668 1.00 0.00 C ATOM 2126 O PHE A 141 0.806 6.061 12.800 1.00 0.00 O ATOM 2127 CB PHE A 141 1.284 8.603 11.118 1.00 0.00 C ATOM 2128 CG PHE A 141 2.007 8.336 9.816 1.00 0.00 C ATOM 2129 CD1 PHE A 141 1.467 8.827 8.612 1.00 0.00 C ATOM 2130 CD2 PHE A 141 3.186 7.571 9.791 1.00 0.00 C ATOM 2131 CE1 PHE A 141 2.092 8.540 7.388 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.817 7.295 8.566 1.00 0.00 C ATOM 2133 CZ PHE A 141 3.270 7.775 7.365 1.00 0.00 C ATOM 0 H PHE A 141 -0.384 8.850 12.999 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.469 7.680 10.301 1.00 0.00 H new ATOM 0 HB2 PHE A 141 1.005 9.656 11.168 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.959 8.412 11.952 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.569 9.427 8.630 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.607 7.196 10.712 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.668 8.907 6.465 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.726 6.712 8.548 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.754 7.556 6.425 1.00 0.00 H new ATOM 2143 N PRO A 142 0.146 5.270 10.788 1.00 0.00 N ATOM 2144 CA PRO A 142 0.220 3.855 11.159 1.00 0.00 C ATOM 2145 C PRO A 142 1.633 3.253 11.092 1.00 0.00 C ATOM 2146 O PRO A 142 1.918 2.306 11.825 1.00 0.00 O ATOM 2147 CB PRO A 142 -0.716 3.147 10.175 1.00 0.00 C ATOM 2148 CG PRO A 142 -0.549 3.972 8.902 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.406 5.397 9.442 1.00 0.00 C ATOM 0 HA PRO A 142 -0.066 3.730 12.203 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.432 2.106 10.023 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -1.748 3.148 10.526 1.00 0.00 H new ATOM 0 HG2 PRO A 142 0.328 3.665 8.332 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.409 3.874 8.240 1.00 0.00 H new ATOM 0 HD2 PRO A 142 0.251 5.990 8.806 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.371 5.904 9.463 1.00 0.00 H new ATOM 2157 N CYS A 143 2.519 3.771 10.231 1.00 0.00 N ATOM 2158 CA CYS A 143 3.850 3.202 9.982 1.00 0.00 C ATOM 2159 C CYS A 143 4.903 3.749 10.967 1.00 0.00 C ATOM 2160 O CYS A 143 4.929 4.946 11.265 1.00 0.00 O ATOM 2161 CB CYS A 143 4.247 3.481 8.523 1.00 0.00 C ATOM 2162 SG CYS A 143 3.132 2.605 7.389 1.00 0.00 S ATOM 0 H CYS A 143 2.329 4.608 9.680 1.00 0.00 H new ATOM 0 HA CYS A 143 3.809 2.125 10.146 1.00 0.00 H new ATOM 0 HB2 CYS A 143 4.208 4.552 8.327 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.275 3.163 8.351 1.00 0.00 H new ATOM 0 HG CYS A 143 3.340 3.015 6.173 1.00 0.00 H new ATOM 2168 N GLY A 144 5.809 2.877 11.434 1.00 0.00 N ATOM 2169 CA GLY A 144 6.918 3.254 12.327 1.00 0.00 C ATOM 2170 C GLY A 144 8.055 3.983 11.602 1.00 0.00 C ATOM 2171 O GLY A 144 8.694 4.858 12.187 1.00 0.00 O ATOM 0 H GLY A 144 5.794 1.884 11.202 1.00 0.00 H new ATOM 0 HA2 GLY A 144 6.534 3.893 13.123 1.00 0.00 H new ATOM 0 HA3 GLY A 144 7.315 2.357 12.802 1.00 0.00 H new ATOM 2175 N ASN A 145 8.281 3.661 10.325 1.00 0.00 N ATOM 2176 CA ASN A 145 9.221 4.370 9.450 1.00 0.00 C ATOM 2177 C ASN A 145 8.562 5.633 8.870 1.00 0.00 C ATOM 2178 O ASN A 145 7.448 5.556 8.350 1.00 0.00 O ATOM 2179 CB ASN A 145 9.673 3.445 8.308 1.00 0.00 C ATOM 2180 CG ASN A 145 10.307 2.150 8.811 1.00 0.00 C ATOM 2181 OD1 ASN A 145 11.368 2.147 9.422 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.666 1.015 8.579 1.00 0.00 N ATOM 0 H ASN A 145 7.807 2.886 9.861 1.00 0.00 H new ATOM 0 HA ASN A 145 10.091 4.666 10.037 1.00 0.00 H new ATOM 0 HB2 ASN A 145 8.815 3.204 7.680 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.389 3.974 7.679 1.00 0.00 H new ATOM 0 HD21 ASN A 145 10.056 0.132 8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 145 8.782 1.023 8.069 1.00 0.00 H new ATOM 2189 N VAL A 146 9.249 6.781 8.923 1.00 0.00 N ATOM 2190 CA VAL A 146 8.782 8.075 8.396 1.00 0.00 C ATOM 2191 C VAL A 146 9.956 8.843 7.785 1.00 0.00 C ATOM 2192 O VAL A 146 10.998 9.015 8.419 1.00 0.00 O ATOM 2193 CB VAL A 146 8.117 8.941 9.500 1.00 0.00 C ATOM 2194 CG1 VAL A 146 7.890 10.397 9.060 1.00 0.00 C ATOM 2195 CG2 VAL A 146 6.758 8.387 9.935 1.00 0.00 C ATOM 0 H VAL A 146 10.175 6.840 9.347 1.00 0.00 H new ATOM 0 HA VAL A 146 8.033 7.868 7.632 1.00 0.00 H new ATOM 0 HB VAL A 146 8.823 8.909 10.329 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.423 10.954 9.872 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.847 10.855 8.810 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.239 10.416 8.186 1.00 0.00 H new ATOM 0 HG21 VAL A 146 6.334 9.028 10.708 1.00 0.00 H new ATOM 0 HG22 VAL A 146 6.085 8.359 9.078 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.885 7.379 10.329 1.00 0.00 H new ATOM 2205 N ASN A 147 9.737 9.337 6.566 1.00 0.00 N ATOM 2206 CA ASN A 147 10.576 10.298 5.851 1.00 0.00 C ATOM 2207 C ASN A 147 9.757 11.564 5.545 1.00 0.00 C ATOM 2208 O ASN A 147 8.528 11.520 5.445 1.00 0.00 O ATOM 2209 CB ASN A 147 11.090 9.682 4.541 1.00 0.00 C ATOM 2210 CG ASN A 147 12.313 8.781 4.677 1.00 0.00 C ATOM 2211 OD1 ASN A 147 12.746 8.395 5.757 1.00 0.00 O ATOM 2212 ND2 ASN A 147 12.909 8.425 3.556 1.00 0.00 N ATOM 0 H ASN A 147 8.921 9.060 6.020 1.00 0.00 H new ATOM 0 HA ASN A 147 11.431 10.559 6.475 1.00 0.00 H new ATOM 0 HB2 ASN A 147 10.283 9.105 4.090 1.00 0.00 H new ATOM 0 HB3 ASN A 147 11.330 10.489 3.849 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.734 7.826 3.585 1.00 0.00 H new ATOM 0 HD22 ASN A 147 12.545 8.749 2.660 1.00 0.00 H new ATOM 2219 N TYR A 148 10.448 12.692 5.372 1.00 0.00 N ATOM 2220 CA TYR A 148 9.848 14.010 5.132 1.00 0.00 C ATOM 2221 C TYR A 148 10.178 14.521 3.720 1.00 0.00 C ATOM 2222 O TYR A 148 11.315 14.392 3.256 1.00 0.00 O ATOM 2223 CB TYR A 148 10.333 14.981 6.218 1.00 0.00 C ATOM 2224 CG TYR A 148 10.049 14.500 7.630 1.00 0.00 C ATOM 2225 CD1 TYR A 148 8.736 14.557 8.138 1.00 0.00 C ATOM 2226 CD2 TYR A 148 11.080 13.944 8.416 1.00 0.00 C ATOM 2227 CE1 TYR A 148 8.450 14.056 9.423 1.00 0.00 C ATOM 2228 CE2 TYR A 148 10.802 13.444 9.702 1.00 0.00 C ATOM 2229 CZ TYR A 148 9.484 13.497 10.209 1.00 0.00 C ATOM 2230 OH TYR A 148 9.203 13.010 11.450 1.00 0.00 O ATOM 0 H TYR A 148 11.467 12.717 5.395 1.00 0.00 H new ATOM 0 HA TYR A 148 8.762 13.933 5.187 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.406 15.135 6.104 1.00 0.00 H new ATOM 0 HB3 TYR A 148 9.854 15.949 6.069 1.00 0.00 H new ATOM 0 HD1 TYR A 148 7.946 14.986 7.540 1.00 0.00 H new ATOM 0 HD2 TYR A 148 12.087 13.902 8.029 1.00 0.00 H new ATOM 0 HE1 TYR A 148 7.442 14.099 9.808 1.00 0.00 H new ATOM 0 HE2 TYR A 148 11.595 13.020 10.301 1.00 0.00 H new ATOM 0 HH TYR A 148 10.023 12.660 11.857 1.00 0.00 H new