USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=23 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 30:sc= 0 USER MOD Set 1.2: A 147 ASN : amide:sc= 0.353 K(o=0.35,f=-2.8!) USER MOD Set 2.1: A 80 CYS SG : rot -68:sc= 0.223 USER MOD Set 2.2: A 82 THR OG1 : rot 137:sc= 0.623 USER MOD Single : A 19 THR OG1 : rot 145:sc= 1.45 USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 1.32 (180deg=1.03) USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0178) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= 0.71 F(o=0,f=0.71) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -164:sc=-0.00492 (180deg=-0.0523) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.558 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.209 K(o=0.21,f=-2.8!) USER MOD Single : A 59 TYR OH : rot 178:sc= 0.0594 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.138 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 41:sc= 0.0264 USER MOD Single : A 70 ASN : amide:sc= -0.129 X(o=-0.13,f=0.012) USER MOD Single : A 73 SER OG : rot -92:sc= 0.0232 USER MOD Single : A 76 SER OG : rot -143:sc= 0.397 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= 0.901 K(o=0.9,f=-0.036) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot -170:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 102 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 105 MET CE :methyl -178:sc= 0 (180deg=-0.00581) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 143 CYS SG : rot 180:sc= -0.0279 USER MOD Single : A 145 ASN : amide:sc= 0.8 K(o=0.8,f=0) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N THR A 19 6.993 0.675 -11.827 1.00 0.00 N ATOM 234 CA THR A 19 6.028 1.724 -11.442 1.00 0.00 C ATOM 235 C THR A 19 4.570 1.269 -11.600 1.00 0.00 C ATOM 236 O THR A 19 3.713 1.917 -12.204 1.00 0.00 O ATOM 237 CB THR A 19 6.385 3.079 -12.073 1.00 0.00 C ATOM 238 OG1 THR A 19 5.514 4.048 -11.551 1.00 0.00 O ATOM 239 CG2 THR A 19 6.344 3.067 -13.600 1.00 0.00 C ATOM 0 HA THR A 19 6.116 1.897 -10.369 1.00 0.00 H new ATOM 0 HB THR A 19 7.419 3.313 -11.818 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.992 4.897 -11.450 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.606 4.055 -13.979 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.056 2.333 -13.977 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.340 2.805 -13.935 1.00 0.00 H new ATOM 247 N LYS A 20 4.275 0.092 -11.048 1.00 0.00 N ATOM 248 CA LYS A 20 2.922 -0.476 -11.006 1.00 0.00 C ATOM 249 C LYS A 20 2.787 -1.519 -9.891 1.00 0.00 C ATOM 250 O LYS A 20 3.475 -2.542 -9.900 1.00 0.00 O ATOM 251 CB LYS A 20 2.568 -1.044 -12.390 1.00 0.00 C ATOM 252 CG LYS A 20 1.064 -1.057 -12.672 1.00 0.00 C ATOM 253 CD LYS A 20 0.799 -0.923 -14.181 1.00 0.00 C ATOM 254 CE LYS A 20 0.593 0.534 -14.640 1.00 0.00 C ATOM 255 NZ LYS A 20 1.741 1.448 -14.396 1.00 0.00 N ATOM 0 H LYS A 20 4.977 -0.504 -10.610 1.00 0.00 H new ATOM 0 HA LYS A 20 2.206 0.311 -10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.069 -0.453 -13.157 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.954 -2.060 -12.468 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.626 -1.984 -12.301 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.580 -0.239 -12.138 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.637 -1.354 -14.729 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.085 -1.506 -14.440 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.372 0.533 -15.707 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.284 0.936 -14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.449 2.429 -14.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.052 1.358 -13.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.526 1.196 -15.030 1.00 0.00 H new ATOM 269 N PHE A 21 1.903 -1.249 -8.929 1.00 0.00 N ATOM 270 CA PHE A 21 1.791 -2.011 -7.684 1.00 0.00 C ATOM 271 C PHE A 21 0.321 -2.183 -7.288 1.00 0.00 C ATOM 272 O PHE A 21 -0.372 -1.201 -7.035 1.00 0.00 O ATOM 273 CB PHE A 21 2.575 -1.274 -6.580 1.00 0.00 C ATOM 274 CG PHE A 21 4.047 -1.041 -6.882 1.00 0.00 C ATOM 275 CD1 PHE A 21 4.987 -2.055 -6.620 1.00 0.00 C ATOM 276 CD2 PHE A 21 4.475 0.179 -7.440 1.00 0.00 C ATOM 277 CE1 PHE A 21 6.348 -1.849 -6.908 1.00 0.00 C ATOM 278 CE2 PHE A 21 5.836 0.386 -7.729 1.00 0.00 C ATOM 279 CZ PHE A 21 6.774 -0.627 -7.457 1.00 0.00 C ATOM 0 H PHE A 21 1.234 -0.482 -8.994 1.00 0.00 H new ATOM 0 HA PHE A 21 2.212 -3.007 -7.824 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.100 -0.310 -6.400 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.496 -1.846 -5.656 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.662 -2.994 -6.197 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.756 0.958 -7.647 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.066 -2.630 -6.707 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.161 1.322 -8.159 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.820 -0.466 -7.670 1.00 0.00 H new ATOM 289 N LYS A 22 -0.166 -3.427 -7.206 1.00 0.00 N ATOM 290 CA LYS A 22 -1.482 -3.714 -6.619 1.00 0.00 C ATOM 291 C LYS A 22 -1.495 -3.283 -5.140 1.00 0.00 C ATOM 292 O LYS A 22 -0.589 -3.630 -4.380 1.00 0.00 O ATOM 293 CB LYS A 22 -1.825 -5.212 -6.773 1.00 0.00 C ATOM 294 CG LYS A 22 -2.622 -5.539 -8.048 1.00 0.00 C ATOM 295 CD LYS A 22 -1.865 -5.366 -9.374 1.00 0.00 C ATOM 296 CE LYS A 22 -0.752 -6.403 -9.614 1.00 0.00 C ATOM 297 NZ LYS A 22 -1.283 -7.784 -9.789 1.00 0.00 N ATOM 0 H LYS A 22 0.332 -4.253 -7.539 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.246 -3.145 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.900 -5.788 -6.776 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.399 -5.535 -5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.969 -6.570 -7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.508 -4.905 -8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.579 -5.422 -10.195 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.426 -4.368 -9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.183 -6.121 -10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.059 -6.388 -8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.498 -8.434 -9.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.760 -8.086 -8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.962 -7.798 -10.576 1.00 0.00 H new ATOM 311 N VAL A 23 -2.520 -2.530 -4.743 1.00 0.00 N ATOM 312 CA VAL A 23 -2.679 -1.962 -3.392 1.00 0.00 C ATOM 313 C VAL A 23 -4.119 -2.127 -2.902 1.00 0.00 C ATOM 314 O VAL A 23 -5.048 -2.159 -3.710 1.00 0.00 O ATOM 315 CB VAL A 23 -2.260 -0.472 -3.325 1.00 0.00 C ATOM 316 CG1 VAL A 23 -0.739 -0.289 -3.445 1.00 0.00 C ATOM 317 CG2 VAL A 23 -2.982 0.430 -4.338 1.00 0.00 C ATOM 0 H VAL A 23 -3.290 -2.287 -5.367 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.010 -2.519 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.577 -0.147 -2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.495 0.772 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.244 -0.816 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.398 -0.693 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.632 1.456 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.770 0.083 -5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.056 0.391 -4.159 1.00 0.00 H new ATOM 327 N THR A 24 -4.303 -2.217 -1.580 1.00 0.00 N ATOM 328 CA THR A 24 -5.617 -2.373 -0.936 1.00 0.00 C ATOM 329 C THR A 24 -5.727 -1.375 0.203 1.00 0.00 C ATOM 330 O THR A 24 -4.984 -1.472 1.173 1.00 0.00 O ATOM 331 CB THR A 24 -5.798 -3.811 -0.433 1.00 0.00 C ATOM 332 OG1 THR A 24 -5.551 -4.718 -1.487 1.00 0.00 O ATOM 333 CG2 THR A 24 -7.222 -4.057 0.062 1.00 0.00 C ATOM 0 H THR A 24 -3.531 -2.183 -0.914 1.00 0.00 H new ATOM 0 HA THR A 24 -6.409 -2.177 -1.658 1.00 0.00 H new ATOM 0 HB THR A 24 -5.097 -3.958 0.389 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.666 -5.636 -1.163 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.313 -5.086 0.411 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.445 -3.375 0.882 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.925 -3.886 -0.753 1.00 0.00 H new ATOM 341 N ASN A 25 -6.627 -0.400 0.084 1.00 0.00 N ATOM 342 CA ASN A 25 -6.816 0.650 1.090 1.00 0.00 C ATOM 343 C ASN A 25 -7.343 0.065 2.414 1.00 0.00 C ATOM 344 O ASN A 25 -8.200 -0.824 2.387 1.00 0.00 O ATOM 345 CB ASN A 25 -7.767 1.710 0.509 1.00 0.00 C ATOM 346 CG ASN A 25 -7.957 2.920 1.420 1.00 0.00 C ATOM 347 OD1 ASN A 25 -6.899 3.633 1.758 1.00 0.00 O flip ATOM 348 ND2 ASN A 25 -9.063 3.232 1.838 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.251 -0.314 -0.718 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.860 1.118 1.325 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.380 2.046 -0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.738 1.252 0.319 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.881 2.681 1.577 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.168 4.043 2.448 1.00 0.00 H new ATOM 355 N VAL A 26 -6.844 0.555 3.558 1.00 0.00 N ATOM 356 CA VAL A 26 -7.223 0.043 4.892 1.00 0.00 C ATOM 357 C VAL A 26 -7.702 1.138 5.852 1.00 0.00 C ATOM 358 O VAL A 26 -7.350 2.309 5.707 1.00 0.00 O ATOM 359 CB VAL A 26 -6.113 -0.805 5.559 1.00 0.00 C ATOM 360 CG1 VAL A 26 -5.792 -2.071 4.751 1.00 0.00 C ATOM 361 CG2 VAL A 26 -4.809 -0.033 5.819 1.00 0.00 C ATOM 0 H VAL A 26 -6.167 1.317 3.589 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.070 -0.614 4.694 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.531 -1.082 6.527 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.008 -2.636 5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.687 -2.687 4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.452 -1.790 3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.081 -0.695 6.288 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.409 0.335 4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.011 0.810 6.480 1.00 0.00 H new ATOM 371 N ASP A 27 -8.509 0.726 6.834 1.00 0.00 N ATOM 372 CA ASP A 27 -9.003 1.552 7.944 1.00 0.00 C ATOM 373 C ASP A 27 -8.024 1.619 9.140 1.00 0.00 C ATOM 374 O ASP A 27 -6.918 1.077 9.092 1.00 0.00 O ATOM 375 CB ASP A 27 -10.398 1.050 8.372 1.00 0.00 C ATOM 376 CG ASP A 27 -10.401 -0.215 9.246 1.00 0.00 C ATOM 377 OD1 ASP A 27 -9.403 -0.972 9.248 1.00 0.00 O ATOM 378 OD2 ASP A 27 -11.412 -0.431 9.953 1.00 0.00 O ATOM 0 H ASP A 27 -8.852 -0.234 6.881 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.082 2.578 7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.902 1.849 8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.986 0.854 7.476 1.00 0.00 H new ATOM 383 N ASP A 28 -8.440 2.269 10.239 1.00 0.00 N ATOM 384 CA ASP A 28 -7.619 2.460 11.448 1.00 0.00 C ATOM 385 C ASP A 28 -7.248 1.146 12.178 1.00 0.00 C ATOM 386 O ASP A 28 -6.342 1.155 13.016 1.00 0.00 O ATOM 387 CB ASP A 28 -8.329 3.418 12.424 1.00 0.00 C ATOM 388 CG ASP A 28 -8.417 4.882 11.961 1.00 0.00 C ATOM 389 OD1 ASP A 28 -7.363 5.519 11.729 1.00 0.00 O ATOM 390 OD2 ASP A 28 -9.550 5.413 11.902 1.00 0.00 O ATOM 0 H ASP A 28 -9.369 2.683 10.315 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.679 2.891 11.104 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.339 3.048 12.599 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.808 3.388 13.381 1.00 0.00 H new ATOM 395 N GLU A 29 -7.902 0.019 11.865 1.00 0.00 N ATOM 396 CA GLU A 29 -7.660 -1.308 12.409 1.00 0.00 C ATOM 397 C GLU A 29 -6.799 -2.168 11.451 1.00 0.00 C ATOM 398 O GLU A 29 -6.170 -3.136 11.887 1.00 0.00 O ATOM 399 CB GLU A 29 -9.060 -1.879 12.659 1.00 0.00 C ATOM 400 CG GLU A 29 -9.135 -3.384 12.822 1.00 0.00 C ATOM 401 CD GLU A 29 -8.398 -3.963 14.045 1.00 0.00 C ATOM 402 OE1 GLU A 29 -8.200 -3.249 15.057 1.00 0.00 O ATOM 403 OE2 GLU A 29 -8.063 -5.173 14.025 1.00 0.00 O ATOM 0 H GLU A 29 -8.660 0.019 11.182 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.078 -1.291 13.330 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.467 -1.414 13.557 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.704 -1.589 11.829 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.184 -3.672 12.884 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.729 -3.849 11.923 1.00 0.00 H new ATOM 410 N GLY A 30 -6.736 -1.815 10.160 1.00 0.00 N ATOM 411 CA GLY A 30 -6.037 -2.570 9.111 1.00 0.00 C ATOM 412 C GLY A 30 -6.943 -3.489 8.280 1.00 0.00 C ATOM 413 O GLY A 30 -6.430 -4.385 7.611 1.00 0.00 O ATOM 0 H GLY A 30 -7.184 -0.970 9.806 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.543 -1.866 8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.255 -3.173 9.574 1.00 0.00 H new ATOM 417 N VAL A 31 -8.265 -3.291 8.308 1.00 0.00 N ATOM 418 CA VAL A 31 -9.246 -4.076 7.536 1.00 0.00 C ATOM 419 C VAL A 31 -9.172 -3.680 6.059 1.00 0.00 C ATOM 420 O VAL A 31 -9.250 -2.499 5.736 1.00 0.00 O ATOM 421 CB VAL A 31 -10.695 -3.875 8.051 1.00 0.00 C ATOM 422 CG1 VAL A 31 -11.692 -4.763 7.284 1.00 0.00 C ATOM 423 CG2 VAL A 31 -10.813 -4.201 9.551 1.00 0.00 C ATOM 0 H VAL A 31 -8.697 -2.565 8.880 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.994 -5.129 7.661 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.935 -2.825 7.886 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.698 -4.598 7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.664 -4.510 6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.421 -5.811 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.842 -4.049 9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.528 -5.239 9.721 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.152 -3.546 10.119 1.00 0.00 H new ATOM 433 N GLU A 32 -9.039 -4.669 5.172 1.00 0.00 N ATOM 434 CA GLU A 32 -9.008 -4.495 3.713 1.00 0.00 C ATOM 435 C GLU A 32 -10.380 -4.036 3.183 1.00 0.00 C ATOM 436 O GLU A 32 -11.372 -4.763 3.297 1.00 0.00 O ATOM 437 CB GLU A 32 -8.586 -5.821 3.058 1.00 0.00 C ATOM 438 CG GLU A 32 -7.099 -6.134 3.281 1.00 0.00 C ATOM 439 CD GLU A 32 -6.753 -7.573 2.868 1.00 0.00 C ATOM 440 OE1 GLU A 32 -6.875 -7.913 1.668 1.00 0.00 O ATOM 441 OE2 GLU A 32 -6.349 -8.372 3.746 1.00 0.00 O ATOM 0 H GLU A 32 -8.947 -5.644 5.456 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.285 -3.720 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.191 -6.632 3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.789 -5.776 1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.490 -5.435 2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.850 -5.987 4.332 1.00 0.00 H new ATOM 448 N LEU A 33 -10.437 -2.828 2.607 1.00 0.00 N ATOM 449 CA LEU A 33 -11.687 -2.173 2.192 1.00 0.00 C ATOM 450 C LEU A 33 -11.980 -2.354 0.697 1.00 0.00 C ATOM 451 O LEU A 33 -13.055 -2.829 0.324 1.00 0.00 O ATOM 452 CB LEU A 33 -11.626 -0.672 2.542 1.00 0.00 C ATOM 453 CG LEU A 33 -11.323 -0.345 4.016 1.00 0.00 C ATOM 454 CD1 LEU A 33 -11.287 1.176 4.179 1.00 0.00 C ATOM 455 CD2 LEU A 33 -12.344 -0.969 4.977 1.00 0.00 C ATOM 0 H LEU A 33 -9.606 -2.270 2.413 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.502 -2.651 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.864 -0.203 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.580 -0.216 2.276 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.356 -0.777 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.073 1.426 5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.509 1.592 3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.253 1.595 3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.085 -0.708 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.340 -0.590 4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.334 -2.053 4.865 1.00 0.00 H new ATOM 467 N GLY A 34 -11.023 -1.969 -0.152 1.00 0.00 N ATOM 468 CA GLY A 34 -11.113 -2.036 -1.616 1.00 0.00 C ATOM 469 C GLY A 34 -9.755 -1.915 -2.299 1.00 0.00 C ATOM 470 O GLY A 34 -8.821 -1.330 -1.749 1.00 0.00 O ATOM 0 H GLY A 34 -10.133 -1.589 0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.576 -2.980 -1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.766 -1.239 -1.972 1.00 0.00 H new ATOM 474 N SER A 35 -9.640 -2.471 -3.501 1.00 0.00 N ATOM 475 CA SER A 35 -8.376 -2.602 -4.238 1.00 0.00 C ATOM 476 C SER A 35 -8.214 -1.596 -5.393 1.00 0.00 C ATOM 477 O SER A 35 -9.185 -1.083 -5.958 1.00 0.00 O ATOM 478 CB SER A 35 -8.218 -4.052 -4.729 1.00 0.00 C ATOM 479 OG SER A 35 -9.319 -4.465 -5.528 1.00 0.00 O ATOM 0 H SER A 35 -10.439 -2.854 -4.006 1.00 0.00 H new ATOM 0 HA SER A 35 -7.574 -2.357 -3.541 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.297 -4.142 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.123 -4.717 -3.871 1.00 0.00 H new ATOM 0 HG SER A 35 -9.181 -5.390 -5.822 1.00 0.00 H new ATOM 485 N GLY A 36 -6.950 -1.310 -5.729 1.00 0.00 N ATOM 486 CA GLY A 36 -6.501 -0.383 -6.769 1.00 0.00 C ATOM 487 C GLY A 36 -5.074 -0.681 -7.229 1.00 0.00 C ATOM 488 O GLY A 36 -4.410 -1.566 -6.679 1.00 0.00 O ATOM 0 H GLY A 36 -6.165 -1.750 -5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.176 -0.442 -7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.554 0.638 -6.391 1.00 0.00 H new ATOM 492 N VAL A 37 -4.592 0.065 -8.224 1.00 0.00 N ATOM 493 CA VAL A 37 -3.222 -0.072 -8.756 1.00 0.00 C ATOM 494 C VAL A 37 -2.496 1.271 -8.685 1.00 0.00 C ATOM 495 O VAL A 37 -2.894 2.244 -9.320 1.00 0.00 O ATOM 496 CB VAL A 37 -3.220 -0.640 -10.194 1.00 0.00 C ATOM 497 CG1 VAL A 37 -1.792 -0.728 -10.755 1.00 0.00 C ATOM 498 CG2 VAL A 37 -3.856 -2.041 -10.236 1.00 0.00 C ATOM 0 H VAL A 37 -5.139 0.788 -8.691 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.686 -0.789 -8.135 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.807 0.044 -10.807 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.823 -1.131 -11.767 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.347 0.267 -10.774 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.192 -1.382 -10.122 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.842 -2.417 -11.259 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.291 -2.716 -9.593 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.886 -1.983 -9.885 1.00 0.00 H new ATOM 508 N MET A 38 -1.413 1.312 -7.910 1.00 0.00 N ATOM 509 CA MET A 38 -0.624 2.512 -7.637 1.00 0.00 C ATOM 510 C MET A 38 0.531 2.655 -8.638 1.00 0.00 C ATOM 511 O MET A 38 1.203 1.680 -8.979 1.00 0.00 O ATOM 512 CB MET A 38 -0.149 2.460 -6.180 1.00 0.00 C ATOM 513 CG MET A 38 0.447 3.791 -5.715 1.00 0.00 C ATOM 514 SD MET A 38 0.845 3.840 -3.948 1.00 0.00 S ATOM 515 CE MET A 38 -0.808 4.086 -3.244 1.00 0.00 C ATOM 0 H MET A 38 -1.049 0.483 -7.440 1.00 0.00 H new ATOM 0 HA MET A 38 -1.236 3.404 -7.767 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.988 2.195 -5.536 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.597 1.673 -6.071 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.353 3.992 -6.287 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.257 4.592 -5.941 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.717 4.418 -2.210 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.341 4.841 -3.822 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.361 3.147 -3.276 1.00 0.00 H new ATOM 525 N GLU A 39 0.743 3.886 -9.096 1.00 0.00 N ATOM 526 CA GLU A 39 1.720 4.292 -10.112 1.00 0.00 C ATOM 527 C GLU A 39 2.401 5.606 -9.694 1.00 0.00 C ATOM 528 O GLU A 39 1.745 6.562 -9.274 1.00 0.00 O ATOM 529 CB GLU A 39 0.981 4.435 -11.452 1.00 0.00 C ATOM 530 CG GLU A 39 1.842 4.996 -12.591 1.00 0.00 C ATOM 531 CD GLU A 39 1.036 5.050 -13.893 1.00 0.00 C ATOM 532 OE1 GLU A 39 0.574 3.978 -14.350 1.00 0.00 O ATOM 533 OE2 GLU A 39 0.842 6.151 -14.454 1.00 0.00 O ATOM 0 H GLU A 39 0.205 4.679 -8.748 1.00 0.00 H new ATOM 0 HA GLU A 39 2.506 3.544 -10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.598 3.458 -11.749 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.118 5.086 -11.310 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.193 5.995 -12.332 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.726 4.373 -12.728 1.00 0.00 H new ATOM 540 N LEU A 40 3.729 5.660 -9.797 1.00 0.00 N ATOM 541 CA LEU A 40 4.556 6.787 -9.361 1.00 0.00 C ATOM 542 C LEU A 40 5.330 7.342 -10.567 1.00 0.00 C ATOM 543 O LEU A 40 6.249 6.686 -11.071 1.00 0.00 O ATOM 544 CB LEU A 40 5.510 6.315 -8.244 1.00 0.00 C ATOM 545 CG LEU A 40 4.926 6.299 -6.818 1.00 0.00 C ATOM 546 CD1 LEU A 40 3.965 5.139 -6.530 1.00 0.00 C ATOM 547 CD2 LEU A 40 6.061 6.235 -5.789 1.00 0.00 C ATOM 0 H LEU A 40 4.276 4.898 -10.198 1.00 0.00 H new ATOM 0 HA LEU A 40 3.933 7.586 -8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.852 5.309 -8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.389 6.960 -8.248 1.00 0.00 H new ATOM 0 HG LEU A 40 4.350 7.221 -6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.605 5.211 -5.504 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.119 5.189 -7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.487 4.192 -6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.640 6.224 -4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.645 5.329 -5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.705 7.107 -5.903 1.00 0.00 H new ATOM 559 N THR A 41 4.957 8.536 -11.044 1.00 0.00 N ATOM 560 CA THR A 41 5.564 9.167 -12.233 1.00 0.00 C ATOM 561 C THR A 41 6.647 10.155 -11.821 1.00 0.00 C ATOM 562 O THR A 41 6.800 10.463 -10.642 1.00 0.00 O ATOM 563 CB THR A 41 4.510 9.829 -13.138 1.00 0.00 C ATOM 564 OG1 THR A 41 4.066 11.042 -12.574 1.00 0.00 O ATOM 565 CG2 THR A 41 3.301 8.929 -13.398 1.00 0.00 C ATOM 0 H THR A 41 4.221 9.099 -10.617 1.00 0.00 H new ATOM 0 HA THR A 41 6.030 8.378 -12.823 1.00 0.00 H new ATOM 0 HB THR A 41 5.001 10.014 -14.093 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.397 11.451 -13.162 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.592 9.449 -14.042 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.629 8.011 -13.886 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.819 8.684 -12.451 1.00 0.00 H new ATOM 573 N GLN A 42 7.376 10.708 -12.792 1.00 0.00 N ATOM 574 CA GLN A 42 8.304 11.822 -12.556 1.00 0.00 C ATOM 575 C GLN A 42 7.576 13.162 -12.309 1.00 0.00 C ATOM 576 O GLN A 42 8.229 14.180 -12.073 1.00 0.00 O ATOM 577 CB GLN A 42 9.309 11.919 -13.719 1.00 0.00 C ATOM 578 CG GLN A 42 10.248 10.700 -13.789 1.00 0.00 C ATOM 579 CD GLN A 42 11.310 10.792 -14.893 1.00 0.00 C ATOM 580 OE1 GLN A 42 11.381 11.728 -15.683 1.00 0.00 O ATOM 581 NE2 GLN A 42 12.187 9.813 -14.995 1.00 0.00 N ATOM 0 H GLN A 42 7.342 10.399 -13.763 1.00 0.00 H new ATOM 0 HA GLN A 42 8.852 11.613 -11.637 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.765 12.009 -14.659 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.903 12.826 -13.607 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.748 10.584 -12.827 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.650 9.803 -13.948 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.148 9.024 -14.350 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.904 9.844 -15.719 1.00 0.00 H new ATOM 590 N SER A 43 6.239 13.184 -12.328 1.00 0.00 N ATOM 591 CA SER A 43 5.422 14.374 -12.045 1.00 0.00 C ATOM 592 C SER A 43 4.717 14.300 -10.678 1.00 0.00 C ATOM 593 O SER A 43 4.727 15.290 -9.941 1.00 0.00 O ATOM 594 CB SER A 43 4.368 14.573 -13.151 1.00 0.00 C ATOM 595 OG SER A 43 4.941 14.662 -14.453 1.00 0.00 O ATOM 0 H SER A 43 5.681 12.358 -12.545 1.00 0.00 H new ATOM 0 HA SER A 43 6.106 15.223 -12.019 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.662 13.743 -13.126 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.801 15.481 -12.946 1.00 0.00 H new ATOM 0 HG SER A 43 4.230 14.786 -15.116 1.00 0.00 H new ATOM 601 N GLU A 44 4.104 13.159 -10.325 1.00 0.00 N ATOM 602 CA GLU A 44 3.248 13.004 -9.139 1.00 0.00 C ATOM 603 C GLU A 44 2.888 11.535 -8.840 1.00 0.00 C ATOM 604 O GLU A 44 3.110 10.635 -9.657 1.00 0.00 O ATOM 605 CB GLU A 44 1.979 13.876 -9.264 1.00 0.00 C ATOM 606 CG GLU A 44 1.046 13.501 -10.418 1.00 0.00 C ATOM 607 CD GLU A 44 0.028 14.620 -10.695 1.00 0.00 C ATOM 608 OE1 GLU A 44 -0.552 15.178 -9.735 1.00 0.00 O ATOM 609 OE2 GLU A 44 -0.194 14.950 -11.884 1.00 0.00 O ATOM 0 H GLU A 44 4.192 12.300 -10.868 1.00 0.00 H new ATOM 0 HA GLU A 44 3.830 13.352 -8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.420 13.813 -8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.282 14.916 -9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.633 13.309 -11.316 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.519 12.577 -10.178 1.00 0.00 H new ATOM 616 N LEU A 45 2.293 11.295 -7.666 1.00 0.00 N ATOM 617 CA LEU A 45 1.758 9.991 -7.275 1.00 0.00 C ATOM 618 C LEU A 45 0.370 9.815 -7.920 1.00 0.00 C ATOM 619 O LEU A 45 -0.445 10.736 -7.865 1.00 0.00 O ATOM 620 CB LEU A 45 1.682 9.916 -5.729 1.00 0.00 C ATOM 621 CG LEU A 45 2.102 8.563 -5.122 1.00 0.00 C ATOM 622 CD1 LEU A 45 1.820 8.529 -3.618 1.00 0.00 C ATOM 623 CD2 LEU A 45 1.418 7.371 -5.792 1.00 0.00 C ATOM 0 H LEU A 45 2.169 12.013 -6.952 1.00 0.00 H new ATOM 0 HA LEU A 45 2.405 9.184 -7.620 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.316 10.698 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.660 10.135 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 45 3.174 8.473 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.125 7.564 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.380 9.323 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.754 8.675 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.754 6.447 -5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.337 7.462 -5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.674 7.353 -6.851 1.00 0.00 H new ATOM 635 N VAL A 46 0.091 8.650 -8.508 1.00 0.00 N ATOM 636 CA VAL A 46 -1.165 8.316 -9.202 1.00 0.00 C ATOM 637 C VAL A 46 -1.718 6.995 -8.649 1.00 0.00 C ATOM 638 O VAL A 46 -0.960 6.073 -8.345 1.00 0.00 O ATOM 639 CB VAL A 46 -0.946 8.207 -10.735 1.00 0.00 C ATOM 640 CG1 VAL A 46 -2.276 8.013 -11.485 1.00 0.00 C ATOM 641 CG2 VAL A 46 -0.235 9.443 -11.319 1.00 0.00 C ATOM 0 H VAL A 46 0.758 7.878 -8.517 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.884 9.116 -9.025 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.310 7.334 -10.877 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.083 7.941 -12.555 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.758 7.098 -11.141 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.930 8.863 -11.291 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.107 9.315 -12.394 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.836 10.332 -11.129 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.741 9.557 -10.848 1.00 0.00 H new ATOM 651 N LEU A 47 -3.043 6.883 -8.530 1.00 0.00 N ATOM 652 CA LEU A 47 -3.724 5.671 -8.075 1.00 0.00 C ATOM 653 C LEU A 47 -4.944 5.392 -8.959 1.00 0.00 C ATOM 654 O LEU A 47 -5.942 6.115 -8.921 1.00 0.00 O ATOM 655 CB LEU A 47 -4.071 5.807 -6.577 1.00 0.00 C ATOM 656 CG LEU A 47 -4.008 4.491 -5.773 1.00 0.00 C ATOM 657 CD1 LEU A 47 -4.571 4.716 -4.365 1.00 0.00 C ATOM 658 CD2 LEU A 47 -4.765 3.332 -6.426 1.00 0.00 C ATOM 0 H LEU A 47 -3.683 7.646 -8.751 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.069 4.805 -8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.387 6.525 -6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.075 6.222 -6.488 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.956 4.209 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.524 3.784 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.982 5.478 -3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.608 5.046 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.675 2.442 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.817 3.597 -6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.343 3.130 -7.410 1.00 0.00 H new ATOM 670 N HIS A 48 -4.840 4.331 -9.755 1.00 0.00 N ATOM 671 CA HIS A 48 -5.882 3.813 -10.640 1.00 0.00 C ATOM 672 C HIS A 48 -6.905 2.961 -9.857 1.00 0.00 C ATOM 673 O HIS A 48 -6.519 2.064 -9.095 1.00 0.00 O ATOM 674 CB HIS A 48 -5.207 2.973 -11.737 1.00 0.00 C ATOM 675 CG HIS A 48 -4.143 3.691 -12.532 1.00 0.00 C ATOM 676 ND1 HIS A 48 -4.373 4.713 -13.457 1.00 0.00 N ATOM 677 CD2 HIS A 48 -2.810 3.392 -12.524 1.00 0.00 C ATOM 678 CE1 HIS A 48 -3.170 4.997 -13.985 1.00 0.00 C ATOM 679 NE2 HIS A 48 -2.214 4.215 -13.451 1.00 0.00 N ATOM 0 H HIS A 48 -3.983 3.780 -9.803 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.429 4.644 -11.086 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.761 2.092 -11.275 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.975 2.618 -12.425 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.319 2.652 -11.909 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.994 5.752 -14.737 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.223 4.230 -13.691 1.00 0.00 H new ATOM 687 N LEU A 49 -8.200 3.223 -10.069 1.00 0.00 N ATOM 688 CA LEU A 49 -9.336 2.590 -9.383 1.00 0.00 C ATOM 689 C LEU A 49 -10.415 2.222 -10.413 1.00 0.00 C ATOM 690 O LEU A 49 -10.788 3.049 -11.245 1.00 0.00 O ATOM 691 CB LEU A 49 -9.903 3.577 -8.335 1.00 0.00 C ATOM 692 CG LEU A 49 -8.961 3.927 -7.163 1.00 0.00 C ATOM 693 CD1 LEU A 49 -9.550 5.074 -6.330 1.00 0.00 C ATOM 694 CD2 LEU A 49 -8.721 2.719 -6.247 1.00 0.00 C ATOM 0 H LEU A 49 -8.500 3.915 -10.756 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.011 1.680 -8.878 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.177 4.501 -8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.821 3.155 -7.925 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.008 4.230 -7.596 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.875 5.310 -5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.675 5.954 -6.960 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.518 4.773 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.053 3.005 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.671 2.381 -5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.268 1.911 -6.821 1.00 0.00 H new ATOM 786 N ALA A 54 -8.764 8.148 -11.803 1.00 0.00 N ATOM 787 CA ALA A 54 -7.476 7.965 -11.135 1.00 0.00 C ATOM 788 C ALA A 54 -7.205 9.134 -10.165 1.00 0.00 C ATOM 789 O ALA A 54 -7.304 10.299 -10.559 1.00 0.00 O ATOM 790 CB ALA A 54 -6.377 7.818 -12.196 1.00 0.00 C ATOM 0 HA ALA A 54 -7.489 7.055 -10.535 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.413 7.681 -11.705 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.591 6.953 -12.824 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.345 8.715 -12.814 1.00 0.00 H new ATOM 796 N VAL A 55 -6.860 8.834 -8.910 1.00 0.00 N ATOM 797 CA VAL A 55 -6.623 9.851 -7.861 1.00 0.00 C ATOM 798 C VAL A 55 -5.146 10.247 -7.864 1.00 0.00 C ATOM 799 O VAL A 55 -4.275 9.380 -7.855 1.00 0.00 O ATOM 800 CB VAL A 55 -7.059 9.378 -6.452 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.868 10.495 -5.409 1.00 0.00 C ATOM 802 CG2 VAL A 55 -8.537 8.953 -6.438 1.00 0.00 C ATOM 0 H VAL A 55 -6.734 7.876 -8.583 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.242 10.717 -8.096 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.430 8.524 -6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.182 10.135 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.817 10.781 -5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.470 11.360 -5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.812 8.626 -5.435 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.161 9.798 -6.729 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.686 8.133 -7.140 1.00 0.00 H new ATOM 812 N ARG A 56 -4.874 11.556 -7.887 1.00 0.00 N ATOM 813 CA ARG A 56 -3.533 12.133 -8.001 1.00 0.00 C ATOM 814 C ARG A 56 -3.138 12.939 -6.757 1.00 0.00 C ATOM 815 O ARG A 56 -3.944 13.713 -6.233 1.00 0.00 O ATOM 816 CB ARG A 56 -3.491 13.037 -9.239 1.00 0.00 C ATOM 817 CG ARG A 56 -3.511 12.244 -10.552 1.00 0.00 C ATOM 818 CD ARG A 56 -3.588 13.211 -11.737 1.00 0.00 C ATOM 819 NE ARG A 56 -3.301 12.532 -13.014 1.00 0.00 N ATOM 820 CZ ARG A 56 -3.318 13.095 -14.219 1.00 0.00 C ATOM 821 NH1 ARG A 56 -3.648 14.358 -14.398 1.00 0.00 N ATOM 822 NH2 ARG A 56 -3.002 12.381 -15.277 1.00 0.00 N ATOM 0 H ARG A 56 -5.605 12.264 -7.825 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.818 11.316 -8.093 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.343 13.717 -9.217 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.592 13.652 -9.204 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.615 11.628 -10.630 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.365 11.567 -10.566 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.581 13.658 -11.778 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.878 14.025 -11.590 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.068 11.540 -12.969 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.901 14.937 -13.598 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.650 14.756 -15.337 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.745 11.399 -15.172 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.014 12.809 -16.203 1.00 0.00 H new ATOM 836 N TRP A 57 -1.874 12.814 -6.341 1.00 0.00 N ATOM 837 CA TRP A 57 -1.257 13.600 -5.263 1.00 0.00 C ATOM 838 C TRP A 57 0.141 14.111 -5.684 1.00 0.00 C ATOM 839 O TRP A 57 1.051 13.290 -5.843 1.00 0.00 O ATOM 840 CB TRP A 57 -1.153 12.752 -3.987 1.00 0.00 C ATOM 841 CG TRP A 57 -2.441 12.237 -3.418 1.00 0.00 C ATOM 842 CD1 TRP A 57 -3.339 12.967 -2.721 1.00 0.00 C ATOM 843 CD2 TRP A 57 -2.978 10.880 -3.466 1.00 0.00 C ATOM 844 NE1 TRP A 57 -4.381 12.155 -2.313 1.00 0.00 N ATOM 845 CE2 TRP A 57 -4.197 10.850 -2.722 1.00 0.00 C ATOM 846 CE3 TRP A 57 -2.546 9.668 -4.046 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -4.931 9.667 -2.539 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -3.285 8.482 -3.880 1.00 0.00 C ATOM 849 CH2 TRP A 57 -4.471 8.477 -3.129 1.00 0.00 C ATOM 0 H TRP A 57 -1.230 12.142 -6.757 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.888 14.466 -5.063 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.507 11.899 -4.196 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -0.656 13.348 -3.221 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.256 14.024 -2.514 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -5.185 12.480 -1.777 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.635 9.651 -4.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.838 9.671 -1.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.936 7.567 -4.335 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.029 7.561 -3.005 1.00 0.00 H new ATOM 860 N PRO A 58 0.346 15.437 -5.849 1.00 0.00 N ATOM 861 CA PRO A 58 1.662 15.999 -6.139 1.00 0.00 C ATOM 862 C PRO A 58 2.591 15.825 -4.940 1.00 0.00 C ATOM 863 O PRO A 58 2.198 16.043 -3.795 1.00 0.00 O ATOM 864 CB PRO A 58 1.439 17.473 -6.483 1.00 0.00 C ATOM 865 CG PRO A 58 0.100 17.817 -5.838 1.00 0.00 C ATOM 866 CD PRO A 58 -0.658 16.491 -5.791 1.00 0.00 C ATOM 0 HA PRO A 58 2.144 15.489 -6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.241 18.098 -6.090 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.412 17.629 -7.561 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.236 18.231 -4.839 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.441 18.562 -6.421 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.249 16.414 -4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.352 16.411 -6.627 1.00 0.00 H new ATOM 874 N TYR A 59 3.841 15.448 -5.214 1.00 0.00 N ATOM 875 CA TYR A 59 4.828 15.113 -4.177 1.00 0.00 C ATOM 876 C TYR A 59 5.184 16.305 -3.274 1.00 0.00 C ATOM 877 O TYR A 59 5.461 16.130 -2.088 1.00 0.00 O ATOM 878 CB TYR A 59 6.090 14.563 -4.856 1.00 0.00 C ATOM 879 CG TYR A 59 5.909 13.286 -5.654 1.00 0.00 C ATOM 880 CD1 TYR A 59 5.258 12.179 -5.077 1.00 0.00 C ATOM 881 CD2 TYR A 59 6.418 13.187 -6.963 1.00 0.00 C ATOM 882 CE1 TYR A 59 5.115 10.983 -5.800 1.00 0.00 C ATOM 883 CE2 TYR A 59 6.282 11.988 -7.689 1.00 0.00 C ATOM 884 CZ TYR A 59 5.630 10.876 -7.106 1.00 0.00 C ATOM 885 OH TYR A 59 5.468 9.712 -7.790 1.00 0.00 O ATOM 0 H TYR A 59 4.202 15.365 -6.164 1.00 0.00 H new ATOM 0 HA TYR A 59 4.383 14.362 -3.525 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.486 15.331 -5.521 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.844 14.386 -4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.866 12.250 -4.073 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.915 14.034 -7.412 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.608 10.142 -5.352 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.676 11.917 -8.692 1.00 0.00 H new ATOM 0 HH TYR A 59 5.848 9.805 -8.688 1.00 0.00 H new ATOM 895 N LEU A 60 5.090 17.524 -3.812 1.00 0.00 N ATOM 896 CA LEU A 60 5.252 18.779 -3.072 1.00 0.00 C ATOM 897 C LEU A 60 4.101 19.070 -2.090 1.00 0.00 C ATOM 898 O LEU A 60 4.292 19.853 -1.160 1.00 0.00 O ATOM 899 CB LEU A 60 5.532 19.950 -4.031 1.00 0.00 C ATOM 900 CG LEU A 60 4.521 20.095 -5.183 1.00 0.00 C ATOM 901 CD1 LEU A 60 4.237 21.573 -5.467 1.00 0.00 C ATOM 902 CD2 LEU A 60 5.050 19.422 -6.461 1.00 0.00 C ATOM 0 H LEU A 60 4.894 17.669 -4.802 1.00 0.00 H new ATOM 0 HA LEU A 60 6.129 18.658 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.544 20.877 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.529 19.825 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 60 3.597 19.604 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.520 21.655 -6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.824 22.042 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.164 22.075 -5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.319 19.537 -7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.989 19.890 -6.757 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.217 18.362 -6.271 1.00 0.00 H new ATOM 914 N CYS A 61 2.945 18.404 -2.234 1.00 0.00 N ATOM 915 CA CYS A 61 1.848 18.427 -1.250 1.00 0.00 C ATOM 916 C CYS A 61 1.827 17.209 -0.300 1.00 0.00 C ATOM 917 O CYS A 61 0.888 17.078 0.489 1.00 0.00 O ATOM 918 CB CYS A 61 0.510 18.604 -1.984 1.00 0.00 C ATOM 919 SG CYS A 61 0.464 20.227 -2.810 1.00 0.00 S ATOM 0 H CYS A 61 2.742 17.825 -3.049 1.00 0.00 H new ATOM 0 HA CYS A 61 2.022 19.280 -0.593 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.380 17.809 -2.718 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.316 18.523 -1.277 1.00 0.00 H new ATOM 0 HG CYS A 61 -0.670 20.366 -3.430 1.00 0.00 H new ATOM 925 N LEU A 62 2.834 16.326 -0.334 1.00 0.00 N ATOM 926 CA LEU A 62 3.014 15.267 0.664 1.00 0.00 C ATOM 927 C LEU A 62 3.964 15.759 1.762 1.00 0.00 C ATOM 928 O LEU A 62 5.162 15.932 1.521 1.00 0.00 O ATOM 929 CB LEU A 62 3.548 13.982 -0.001 1.00 0.00 C ATOM 930 CG LEU A 62 2.639 13.371 -1.084 1.00 0.00 C ATOM 931 CD1 LEU A 62 3.280 12.076 -1.594 1.00 0.00 C ATOM 932 CD2 LEU A 62 1.228 13.079 -0.561 1.00 0.00 C ATOM 0 H LEU A 62 3.550 16.328 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 62 2.051 15.027 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.519 14.200 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.714 13.234 0.774 1.00 0.00 H new ATOM 0 HG LEU A 62 2.539 14.096 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.645 11.634 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.260 12.297 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.391 11.375 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.625 12.649 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.286 12.374 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.768 14.006 -0.218 1.00 0.00 H new ATOM 944 N ARG A 63 3.441 15.982 2.976 1.00 0.00 N ATOM 945 CA ARG A 63 4.249 16.456 4.111 1.00 0.00 C ATOM 946 C ARG A 63 5.187 15.360 4.641 1.00 0.00 C ATOM 947 O ARG A 63 6.317 15.654 5.035 1.00 0.00 O ATOM 948 CB ARG A 63 3.332 17.000 5.219 1.00 0.00 C ATOM 949 CG ARG A 63 4.140 17.700 6.328 1.00 0.00 C ATOM 950 CD ARG A 63 3.273 18.455 7.344 1.00 0.00 C ATOM 951 NE ARG A 63 2.436 17.545 8.142 1.00 0.00 N ATOM 952 CZ ARG A 63 1.838 17.799 9.297 1.00 0.00 C ATOM 953 NH1 ARG A 63 1.914 18.966 9.903 1.00 0.00 N ATOM 954 NH2 ARG A 63 1.139 16.836 9.850 1.00 0.00 N ATOM 0 H ARG A 63 2.456 15.841 3.199 1.00 0.00 H new ATOM 0 HA ARG A 63 4.886 17.268 3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.618 17.702 4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.755 16.182 5.649 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.736 16.955 6.856 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.838 18.400 5.869 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.915 19.033 8.009 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.636 19.166 6.818 1.00 0.00 H new ATOM 0 HE ARG A 63 2.300 16.609 7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.452 19.724 9.484 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.435 19.111 10.792 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.070 15.928 9.391 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.665 16.996 10.739 1.00 0.00 H new ATOM 968 N ARG A 64 4.730 14.101 4.617 1.00 0.00 N ATOM 969 CA ARG A 64 5.469 12.925 5.095 1.00 0.00 C ATOM 970 C ARG A 64 4.880 11.609 4.577 1.00 0.00 C ATOM 971 O ARG A 64 3.725 11.542 4.146 1.00 0.00 O ATOM 972 CB ARG A 64 5.582 12.932 6.634 1.00 0.00 C ATOM 973 CG ARG A 64 4.243 12.699 7.351 1.00 0.00 C ATOM 974 CD ARG A 64 4.373 12.911 8.863 1.00 0.00 C ATOM 975 NE ARG A 64 3.058 12.811 9.513 1.00 0.00 N ATOM 976 CZ ARG A 64 2.771 13.060 10.783 1.00 0.00 C ATOM 977 NH1 ARG A 64 3.695 13.357 11.675 1.00 0.00 N ATOM 978 NH2 ARG A 64 1.514 13.030 11.156 1.00 0.00 N ATOM 0 H ARG A 64 3.807 13.866 4.253 1.00 0.00 H new ATOM 0 HA ARG A 64 6.476 12.992 4.682 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.288 12.161 6.941 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.995 13.888 6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.491 13.379 6.950 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.894 11.685 7.153 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.050 12.167 9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.810 13.889 9.063 1.00 0.00 H new ATOM 0 HE ARG A 64 2.281 12.518 8.921 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.676 13.402 11.398 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.429 13.542 12.642 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.785 12.819 10.475 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.266 13.218 12.127 1.00 0.00 H new ATOM 992 N TYR A 65 5.685 10.555 4.647 1.00 0.00 N ATOM 993 CA TYR A 65 5.399 9.215 4.128 1.00 0.00 C ATOM 994 C TYR A 65 6.262 8.169 4.842 1.00 0.00 C ATOM 995 O TYR A 65 7.332 8.483 5.361 1.00 0.00 O ATOM 996 CB TYR A 65 5.617 9.179 2.607 1.00 0.00 C ATOM 997 CG TYR A 65 7.018 9.582 2.188 1.00 0.00 C ATOM 998 CD1 TYR A 65 7.302 10.933 1.925 1.00 0.00 C ATOM 999 CD2 TYR A 65 8.043 8.620 2.101 1.00 0.00 C ATOM 1000 CE1 TYR A 65 8.613 11.323 1.611 1.00 0.00 C ATOM 1001 CE2 TYR A 65 9.357 9.004 1.771 1.00 0.00 C ATOM 1002 CZ TYR A 65 9.648 10.368 1.539 1.00 0.00 C ATOM 1003 OH TYR A 65 10.917 10.776 1.262 1.00 0.00 O ATOM 0 H TYR A 65 6.603 10.611 5.089 1.00 0.00 H new ATOM 0 HA TYR A 65 4.355 8.973 4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.412 8.172 2.242 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.898 9.844 2.129 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.513 11.669 1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.820 7.580 2.289 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.831 12.364 1.423 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.137 8.261 1.696 1.00 0.00 H new ATOM 0 HH TYR A 65 11.049 11.686 1.601 1.00 0.00 H new ATOM 1013 N GLY A 66 5.783 6.930 4.892 1.00 0.00 N ATOM 1014 CA GLY A 66 6.414 5.834 5.616 1.00 0.00 C ATOM 1015 C GLY A 66 5.938 4.469 5.150 1.00 0.00 C ATOM 1016 O GLY A 66 5.011 4.336 4.349 1.00 0.00 O ATOM 0 H GLY A 66 4.923 6.654 4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.495 5.898 5.493 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.208 5.942 6.681 1.00 0.00 H new ATOM 1020 N TYR A 67 6.570 3.438 5.693 1.00 0.00 N ATOM 1021 CA TYR A 67 6.238 2.051 5.385 1.00 0.00 C ATOM 1022 C TYR A 67 6.539 1.123 6.566 1.00 0.00 C ATOM 1023 O TYR A 67 7.369 1.414 7.431 1.00 0.00 O ATOM 1024 CB TYR A 67 6.927 1.614 4.079 1.00 0.00 C ATOM 1025 CG TYR A 67 8.361 1.132 4.223 1.00 0.00 C ATOM 1026 CD1 TYR A 67 9.364 1.998 4.701 1.00 0.00 C ATOM 1027 CD2 TYR A 67 8.688 -0.198 3.897 1.00 0.00 C ATOM 1028 CE1 TYR A 67 10.683 1.537 4.870 1.00 0.00 C ATOM 1029 CE2 TYR A 67 10.003 -0.669 4.073 1.00 0.00 C ATOM 1030 CZ TYR A 67 11.006 0.199 4.557 1.00 0.00 C ATOM 1031 OH TYR A 67 12.281 -0.255 4.714 1.00 0.00 O ATOM 0 H TYR A 67 7.332 3.539 6.364 1.00 0.00 H new ATOM 0 HA TYR A 67 5.163 1.976 5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.338 0.816 3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.913 2.453 3.383 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.119 3.023 4.939 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.927 -0.860 3.510 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.447 2.206 5.239 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.245 -1.695 3.838 1.00 0.00 H new ATOM 0 HH TYR A 67 12.327 -1.199 4.453 1.00 0.00 H new ATOM 1041 N ASP A 68 5.833 0.005 6.591 1.00 0.00 N ATOM 1042 CA ASP A 68 5.954 -1.065 7.584 1.00 0.00 C ATOM 1043 C ASP A 68 5.796 -2.453 6.932 1.00 0.00 C ATOM 1044 O ASP A 68 5.696 -2.571 5.708 1.00 0.00 O ATOM 1045 CB ASP A 68 4.952 -0.812 8.732 1.00 0.00 C ATOM 1046 CG ASP A 68 5.670 -0.736 10.085 1.00 0.00 C ATOM 1047 OD1 ASP A 68 6.158 -1.793 10.551 1.00 0.00 O ATOM 1048 OD2 ASP A 68 5.749 0.375 10.661 1.00 0.00 O ATOM 0 H ASP A 68 5.123 -0.197 5.887 1.00 0.00 H new ATOM 0 HA ASP A 68 6.956 -1.058 8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.413 0.118 8.550 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.211 -1.611 8.755 1.00 0.00 H new ATOM 1053 N SER A 69 5.795 -3.522 7.731 1.00 0.00 N ATOM 1054 CA SER A 69 5.620 -4.900 7.245 1.00 0.00 C ATOM 1055 C SER A 69 4.310 -5.061 6.444 1.00 0.00 C ATOM 1056 O SER A 69 3.212 -4.953 6.992 1.00 0.00 O ATOM 1057 CB SER A 69 5.696 -5.897 8.416 1.00 0.00 C ATOM 1058 OG SER A 69 4.843 -5.549 9.502 1.00 0.00 O ATOM 0 H SER A 69 5.916 -3.459 8.742 1.00 0.00 H new ATOM 0 HA SER A 69 6.437 -5.122 6.558 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.430 -6.891 8.057 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.725 -5.952 8.773 1.00 0.00 H new ATOM 0 HG SER A 69 3.982 -5.235 9.154 1.00 0.00 H new ATOM 1064 N ASN A 70 4.441 -5.276 5.126 1.00 0.00 N ATOM 1065 CA ASN A 70 3.360 -5.342 4.127 1.00 0.00 C ATOM 1066 C ASN A 70 2.381 -4.140 4.108 1.00 0.00 C ATOM 1067 O ASN A 70 1.243 -4.263 3.646 1.00 0.00 O ATOM 1068 CB ASN A 70 2.690 -6.729 4.128 1.00 0.00 C ATOM 1069 CG ASN A 70 1.848 -7.070 5.352 1.00 0.00 C ATOM 1070 OD1 ASN A 70 0.777 -6.523 5.586 1.00 0.00 O ATOM 1071 ND2 ASN A 70 2.270 -8.048 6.131 1.00 0.00 N ATOM 0 H ASN A 70 5.358 -5.417 4.703 1.00 0.00 H new ATOM 0 HA ASN A 70 3.844 -5.225 3.157 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.056 -6.804 3.245 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.468 -7.485 4.026 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.705 -8.347 6.926 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.161 -8.505 5.938 1.00 0.00 H new ATOM 1078 N LEU A 71 2.822 -2.964 4.570 1.00 0.00 N ATOM 1079 CA LEU A 71 2.001 -1.754 4.726 1.00 0.00 C ATOM 1080 C LEU A 71 2.752 -0.503 4.248 1.00 0.00 C ATOM 1081 O LEU A 71 3.916 -0.305 4.582 1.00 0.00 O ATOM 1082 CB LEU A 71 1.607 -1.636 6.215 1.00 0.00 C ATOM 1083 CG LEU A 71 0.534 -0.568 6.517 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -0.853 -0.991 6.005 1.00 0.00 C ATOM 1085 CD2 LEU A 71 0.454 -0.325 8.030 1.00 0.00 C ATOM 0 H LEU A 71 3.791 -2.822 4.855 1.00 0.00 H new ATOM 0 HA LEU A 71 1.106 -1.831 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.243 -2.604 6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.501 -1.408 6.796 1.00 0.00 H new ATOM 0 HG LEU A 71 0.827 0.346 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.580 -0.212 6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.813 -1.140 4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.151 -1.921 6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.305 0.430 8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.189 -1.254 8.534 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.421 0.023 8.394 1.00 0.00 H new ATOM 1097 N PHE A 72 2.077 0.369 3.500 1.00 0.00 N ATOM 1098 CA PHE A 72 2.609 1.637 2.997 1.00 0.00 C ATOM 1099 C PHE A 72 1.642 2.776 3.342 1.00 0.00 C ATOM 1100 O PHE A 72 0.440 2.650 3.113 1.00 0.00 O ATOM 1101 CB PHE A 72 2.813 1.512 1.479 1.00 0.00 C ATOM 1102 CG PHE A 72 3.109 2.825 0.785 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.323 3.496 1.026 1.00 0.00 C ATOM 1104 CD2 PHE A 72 2.150 3.396 -0.072 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.568 4.744 0.426 1.00 0.00 C ATOM 1106 CE2 PHE A 72 2.401 4.637 -0.678 1.00 0.00 C ATOM 1107 CZ PHE A 72 3.602 5.316 -0.421 1.00 0.00 C ATOM 0 H PHE A 72 1.110 0.207 3.217 1.00 0.00 H new ATOM 0 HA PHE A 72 3.567 1.865 3.464 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.633 0.820 1.289 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.918 1.074 1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.066 3.052 1.672 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.221 2.880 -0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.496 5.262 0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.669 5.070 -1.343 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.785 6.279 -0.874 1.00 0.00 H new ATOM 1117 N SER A 73 2.146 3.886 3.881 1.00 0.00 N ATOM 1118 CA SER A 73 1.310 5.035 4.283 1.00 0.00 C ATOM 1119 C SER A 73 1.913 6.413 3.950 1.00 0.00 C ATOM 1120 O SER A 73 3.130 6.599 3.946 1.00 0.00 O ATOM 1121 CB SER A 73 0.994 4.932 5.781 1.00 0.00 C ATOM 1122 OG SER A 73 0.036 5.895 6.195 1.00 0.00 O ATOM 0 H SER A 73 3.142 4.022 4.054 1.00 0.00 H new ATOM 0 HA SER A 73 0.397 4.975 3.690 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.621 3.932 6.004 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.912 5.065 6.354 1.00 0.00 H new ATOM 0 HG SER A 73 0.497 6.699 6.513 1.00 0.00 H new ATOM 1128 N PHE A 74 1.050 7.408 3.711 1.00 0.00 N ATOM 1129 CA PHE A 74 1.438 8.798 3.438 1.00 0.00 C ATOM 1130 C PHE A 74 0.380 9.813 3.887 1.00 0.00 C ATOM 1131 O PHE A 74 -0.788 9.479 4.096 1.00 0.00 O ATOM 1132 CB PHE A 74 1.810 8.975 1.956 1.00 0.00 C ATOM 1133 CG PHE A 74 0.686 8.683 0.982 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -0.217 9.695 0.599 1.00 0.00 C ATOM 1135 CD2 PHE A 74 0.541 7.385 0.461 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -1.255 9.407 -0.305 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -0.490 7.099 -0.449 1.00 0.00 C ATOM 1138 CZ PHE A 74 -1.390 8.109 -0.828 1.00 0.00 C ATOM 0 H PHE A 74 0.040 7.266 3.702 1.00 0.00 H new ATOM 0 HA PHE A 74 2.322 9.008 4.040 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.150 9.999 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.651 8.321 1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.112 10.692 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.225 6.605 0.762 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.948 10.182 -0.597 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -0.591 6.104 -0.857 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.187 7.888 -1.522 1.00 0.00 H new ATOM 1148 N GLU A 75 0.819 11.064 4.052 1.00 0.00 N ATOM 1149 CA GLU A 75 0.019 12.182 4.549 1.00 0.00 C ATOM 1150 C GLU A 75 -0.056 13.296 3.497 1.00 0.00 C ATOM 1151 O GLU A 75 0.963 13.845 3.071 1.00 0.00 O ATOM 1152 CB GLU A 75 0.646 12.693 5.849 1.00 0.00 C ATOM 1153 CG GLU A 75 -0.199 13.777 6.520 1.00 0.00 C ATOM 1154 CD GLU A 75 0.465 14.186 7.829 1.00 0.00 C ATOM 1155 OE1 GLU A 75 1.428 14.980 7.788 1.00 0.00 O ATOM 1156 OE2 GLU A 75 0.062 13.691 8.905 1.00 0.00 O ATOM 0 H GLU A 75 1.778 11.334 3.834 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.000 11.851 4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.775 11.859 6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.639 13.089 5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.296 14.640 5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.206 13.406 6.709 1.00 0.00 H new ATOM 1163 N SER A 76 -1.276 13.644 3.103 1.00 0.00 N ATOM 1164 CA SER A 76 -1.567 14.607 2.037 1.00 0.00 C ATOM 1165 C SER A 76 -2.043 15.959 2.589 1.00 0.00 C ATOM 1166 O SER A 76 -2.796 16.026 3.570 1.00 0.00 O ATOM 1167 CB SER A 76 -2.627 14.037 1.083 1.00 0.00 C ATOM 1168 OG SER A 76 -2.183 12.834 0.473 1.00 0.00 O ATOM 0 H SER A 76 -2.118 13.254 3.527 1.00 0.00 H new ATOM 0 HA SER A 76 -0.636 14.779 1.496 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.549 13.849 1.632 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.859 14.773 0.313 1.00 0.00 H new ATOM 0 HG SER A 76 -2.500 12.801 -0.454 1.00 0.00 H new ATOM 1174 N GLY A 77 -1.604 17.045 1.942 1.00 0.00 N ATOM 1175 CA GLY A 77 -1.911 18.432 2.303 1.00 0.00 C ATOM 1176 C GLY A 77 -3.381 18.819 2.112 1.00 0.00 C ATOM 1177 O GLY A 77 -4.171 18.099 1.502 1.00 0.00 O ATOM 0 H GLY A 77 -1.002 16.978 1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.637 18.594 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.291 19.098 1.703 1.00 0.00 H new ATOM 1181 N ARG A 78 -3.756 19.989 2.633 1.00 0.00 N ATOM 1182 CA ARG A 78 -5.154 20.455 2.708 1.00 0.00 C ATOM 1183 C ARG A 78 -5.792 20.747 1.337 1.00 0.00 C ATOM 1184 O ARG A 78 -7.016 20.668 1.201 1.00 0.00 O ATOM 1185 CB ARG A 78 -5.223 21.729 3.579 1.00 0.00 C ATOM 1186 CG ARG A 78 -4.615 21.518 4.973 1.00 0.00 C ATOM 1187 CD ARG A 78 -4.729 22.727 5.911 1.00 0.00 C ATOM 1188 NE ARG A 78 -3.771 23.795 5.565 1.00 0.00 N ATOM 1189 CZ ARG A 78 -3.328 24.745 6.384 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -3.758 24.853 7.626 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -2.434 25.611 5.960 1.00 0.00 N ATOM 0 H ARG A 78 -3.090 20.655 3.023 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.725 19.638 3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.697 22.540 3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.263 22.040 3.682 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.103 20.664 5.442 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.562 21.261 4.860 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.743 23.124 5.868 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.556 22.405 6.938 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.416 23.806 4.609 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.451 24.196 7.985 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.398 25.593 8.228 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.081 25.554 5.005 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.093 26.340 6.586 1.00 0.00 H new ATOM 1205 N ARG A 79 -4.965 21.076 0.337 1.00 0.00 N ATOM 1206 CA ARG A 79 -5.391 21.620 -0.970 1.00 0.00 C ATOM 1207 C ARG A 79 -5.441 20.634 -2.155 1.00 0.00 C ATOM 1208 O ARG A 79 -5.791 21.045 -3.265 1.00 0.00 O ATOM 1209 CB ARG A 79 -4.560 22.879 -1.285 1.00 0.00 C ATOM 1210 CG ARG A 79 -3.102 22.574 -1.684 1.00 0.00 C ATOM 1211 CD ARG A 79 -2.259 23.848 -1.830 1.00 0.00 C ATOM 1212 NE ARG A 79 -2.765 24.734 -2.897 1.00 0.00 N ATOM 1213 CZ ARG A 79 -2.344 25.968 -3.159 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -1.359 26.527 -2.487 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -2.916 26.666 -4.116 1.00 0.00 N ATOM 0 H ARG A 79 -3.953 20.971 0.411 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.445 21.872 -0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.042 23.429 -2.094 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.560 23.532 -0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.650 21.926 -0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.093 22.025 -2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.254 24.389 -0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.226 23.575 -2.046 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.508 24.364 -3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.894 26.011 -1.740 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.061 27.476 -2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.681 26.261 -4.655 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.595 27.613 -4.319 1.00 0.00 H new ATOM 1229 N CYS A 80 -5.111 19.353 -1.957 1.00 0.00 N ATOM 1230 CA CYS A 80 -5.247 18.314 -2.996 1.00 0.00 C ATOM 1231 C CYS A 80 -6.706 17.820 -3.135 1.00 0.00 C ATOM 1232 O CYS A 80 -7.568 18.171 -2.328 1.00 0.00 O ATOM 1233 CB CYS A 80 -4.215 17.201 -2.732 1.00 0.00 C ATOM 1234 SG CYS A 80 -4.578 16.325 -1.188 1.00 0.00 S ATOM 0 H CYS A 80 -4.742 19.002 -1.073 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.021 18.735 -3.976 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.217 16.495 -3.563 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.215 17.633 -2.682 1.00 0.00 H new ATOM 0 HG CYS A 80 -4.382 17.122 -0.180 1.00 0.00 H new ATOM 1240 N GLN A 81 -6.993 17.005 -4.159 1.00 0.00 N ATOM 1241 CA GLN A 81 -8.360 16.587 -4.520 1.00 0.00 C ATOM 1242 C GLN A 81 -9.091 15.829 -3.393 1.00 0.00 C ATOM 1243 O GLN A 81 -10.314 15.943 -3.263 1.00 0.00 O ATOM 1244 CB GLN A 81 -8.297 15.747 -5.811 1.00 0.00 C ATOM 1245 CG GLN A 81 -9.696 15.450 -6.376 1.00 0.00 C ATOM 1246 CD GLN A 81 -9.649 14.839 -7.779 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -9.177 15.445 -8.733 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -10.148 13.635 -7.963 1.00 0.00 N ATOM 0 H GLN A 81 -6.276 16.611 -4.769 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.951 17.488 -4.685 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.709 16.278 -6.560 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.782 14.808 -5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.217 14.768 -5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.275 16.373 -6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.544 13.121 -7.176 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.139 13.216 -8.893 1.00 0.00 H new ATOM 1257 N THR A 82 -8.346 15.095 -2.556 1.00 0.00 N ATOM 1258 CA THR A 82 -8.864 14.316 -1.420 1.00 0.00 C ATOM 1259 C THR A 82 -9.002 15.123 -0.125 1.00 0.00 C ATOM 1260 O THR A 82 -9.574 14.613 0.840 1.00 0.00 O ATOM 1261 CB THR A 82 -7.977 13.087 -1.189 1.00 0.00 C ATOM 1262 OG1 THR A 82 -6.641 13.505 -0.999 1.00 0.00 O ATOM 1263 CG2 THR A 82 -8.018 12.130 -2.382 1.00 0.00 C ATOM 0 H THR A 82 -7.333 15.024 -2.653 1.00 0.00 H new ATOM 0 HA THR A 82 -9.875 14.010 -1.689 1.00 0.00 H new ATOM 0 HB THR A 82 -8.353 12.565 -0.309 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.243 13.002 -0.258 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.377 11.271 -2.182 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.041 11.790 -2.541 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.664 12.646 -3.275 1.00 0.00 H new ATOM 1271 N GLY A 83 -8.484 16.358 -0.080 1.00 0.00 N ATOM 1272 CA GLY A 83 -8.352 17.159 1.141 1.00 0.00 C ATOM 1273 C GLY A 83 -7.223 16.652 2.041 1.00 0.00 C ATOM 1274 O GLY A 83 -6.477 15.737 1.681 1.00 0.00 O ATOM 0 H GLY A 83 -8.138 16.837 -0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.163 18.199 0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.292 17.137 1.692 1.00 0.00 H new ATOM 1278 N GLN A 84 -7.111 17.238 3.236 1.00 0.00 N ATOM 1279 CA GLN A 84 -6.175 16.770 4.259 1.00 0.00 C ATOM 1280 C GLN A 84 -6.546 15.343 4.688 1.00 0.00 C ATOM 1281 O GLN A 84 -7.704 15.062 5.009 1.00 0.00 O ATOM 1282 CB GLN A 84 -6.213 17.715 5.472 1.00 0.00 C ATOM 1283 CG GLN A 84 -5.155 17.390 6.546 1.00 0.00 C ATOM 1284 CD GLN A 84 -3.904 18.269 6.497 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -3.766 19.234 7.236 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -2.936 17.976 5.655 1.00 0.00 N ATOM 0 H GLN A 84 -7.664 18.047 3.520 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.166 16.765 3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.066 18.739 5.128 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.203 17.670 5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.614 17.489 7.530 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.855 16.348 6.437 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.029 17.176 5.029 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.093 18.549 5.628 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.564 14.444 4.728 1.00 0.00 N ATOM 1296 CA GLY A 85 -5.774 13.068 5.166 1.00 0.00 C ATOM 1297 C GLY A 85 -4.500 12.239 5.232 1.00 0.00 C ATOM 1298 O GLY A 85 -3.485 12.564 4.616 1.00 0.00 O ATOM 0 H GLY A 85 -4.602 14.650 4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.240 13.078 6.151 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.475 12.584 4.486 1.00 0.00 H new ATOM 1302 N ILE A 86 -4.587 11.138 5.972 1.00 0.00 N ATOM 1303 CA ILE A 86 -3.582 10.071 6.019 1.00 0.00 C ATOM 1304 C ILE A 86 -4.212 8.842 5.360 1.00 0.00 C ATOM 1305 O ILE A 86 -5.335 8.466 5.701 1.00 0.00 O ATOM 1306 CB ILE A 86 -3.139 9.799 7.475 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -2.431 11.029 8.086 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -2.212 8.569 7.522 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -2.236 10.934 9.605 1.00 0.00 C ATOM 0 H ILE A 86 -5.386 10.954 6.579 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.675 10.352 5.483 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.030 9.599 8.070 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.458 11.151 7.610 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.012 11.923 7.858 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.904 8.384 8.551 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.744 7.698 7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.331 8.754 6.908 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.733 11.832 9.964 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.207 10.843 10.092 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.629 10.060 9.840 1.00 0.00 H new ATOM 1321 N PHE A 87 -3.492 8.232 4.420 1.00 0.00 N ATOM 1322 CA PHE A 87 -3.967 7.116 3.607 1.00 0.00 C ATOM 1323 C PHE A 87 -2.943 5.981 3.659 1.00 0.00 C ATOM 1324 O PHE A 87 -1.774 6.183 3.322 1.00 0.00 O ATOM 1325 CB PHE A 87 -4.197 7.594 2.163 1.00 0.00 C ATOM 1326 CG PHE A 87 -5.173 8.748 2.022 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -6.559 8.510 2.081 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -4.697 10.061 1.837 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -7.465 9.577 1.954 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -5.606 11.128 1.716 1.00 0.00 C ATOM 1331 CZ PHE A 87 -6.989 10.887 1.776 1.00 0.00 C ATOM 0 H PHE A 87 -2.536 8.509 4.198 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.914 6.743 3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.239 7.893 1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.561 6.754 1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.927 7.505 2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.635 10.248 1.788 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.528 9.390 1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.240 12.134 1.577 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.685 11.708 1.685 1.00 0.00 H new ATOM 1341 N ALA A 88 -3.389 4.786 4.064 1.00 0.00 N ATOM 1342 CA ALA A 88 -2.556 3.590 4.131 1.00 0.00 C ATOM 1343 C ALA A 88 -3.146 2.436 3.317 1.00 0.00 C ATOM 1344 O ALA A 88 -4.369 2.267 3.202 1.00 0.00 O ATOM 1345 CB ALA A 88 -2.297 3.182 5.586 1.00 0.00 C ATOM 0 H ALA A 88 -4.353 4.625 4.357 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.595 3.835 3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.674 2.288 5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.787 3.993 6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.246 2.975 6.080 1.00 0.00 H new ATOM 1351 N PHE A 89 -2.234 1.644 2.763 1.00 0.00 N ATOM 1352 CA PHE A 89 -2.511 0.581 1.812 1.00 0.00 C ATOM 1353 C PHE A 89 -1.677 -0.657 2.142 1.00 0.00 C ATOM 1354 O PHE A 89 -0.475 -0.571 2.396 1.00 0.00 O ATOM 1355 CB PHE A 89 -2.227 1.070 0.384 1.00 0.00 C ATOM 1356 CG PHE A 89 -2.978 2.321 -0.036 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.476 3.593 0.303 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.182 2.219 -0.757 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -3.192 4.752 -0.045 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -4.891 3.380 -1.113 1.00 0.00 C ATOM 1361 CZ PHE A 89 -4.401 4.647 -0.751 1.00 0.00 C ATOM 0 H PHE A 89 -1.240 1.732 2.976 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.564 0.307 1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.158 1.259 0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.472 0.268 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.538 3.678 0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.562 1.248 -1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.811 5.724 0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.815 3.298 -1.666 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.953 5.537 -1.015 1.00 0.00 H new ATOM 1371 N LYS A 90 -2.324 -1.821 2.131 1.00 0.00 N ATOM 1372 CA LYS A 90 -1.704 -3.113 2.396 1.00 0.00 C ATOM 1373 C LYS A 90 -1.195 -3.713 1.075 1.00 0.00 C ATOM 1374 O LYS A 90 -1.952 -3.812 0.102 1.00 0.00 O ATOM 1375 CB LYS A 90 -2.742 -3.990 3.118 1.00 0.00 C ATOM 1376 CG LYS A 90 -2.082 -5.111 3.928 1.00 0.00 C ATOM 1377 CD LYS A 90 -3.144 -5.902 4.702 1.00 0.00 C ATOM 1378 CE LYS A 90 -2.467 -6.867 5.682 1.00 0.00 C ATOM 1379 NZ LYS A 90 -3.464 -7.649 6.461 1.00 0.00 N ATOM 0 H LYS A 90 -3.322 -1.891 1.932 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.832 -3.030 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.343 -3.368 3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.422 -4.424 2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.536 -5.778 3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.355 -4.689 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.796 -5.217 5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.773 -6.458 4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.819 -7.549 5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.831 -6.305 6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.969 -8.291 7.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.066 -6.999 7.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.055 -8.205 5.810 1.00 0.00 H new ATOM 1393 N CYS A 91 0.087 -4.073 1.030 1.00 0.00 N ATOM 1394 CA CYS A 91 0.812 -4.507 -0.168 1.00 0.00 C ATOM 1395 C CYS A 91 2.190 -5.080 0.212 1.00 0.00 C ATOM 1396 O CYS A 91 2.939 -4.467 0.972 1.00 0.00 O ATOM 1397 CB CYS A 91 0.925 -3.335 -1.170 1.00 0.00 C ATOM 1398 SG CYS A 91 1.660 -1.862 -0.396 1.00 0.00 S ATOM 0 H CYS A 91 0.676 -4.071 1.863 1.00 0.00 H new ATOM 0 HA CYS A 91 0.256 -5.308 -0.656 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.533 -3.641 -2.022 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -0.064 -3.089 -1.556 1.00 0.00 H new ATOM 0 HG CYS A 91 1.546 -0.847 -1.200 1.00 0.00 H new ATOM 1404 N SER A 92 2.559 -6.235 -0.338 1.00 0.00 N ATOM 1405 CA SER A 92 3.851 -6.899 -0.076 1.00 0.00 C ATOM 1406 C SER A 92 5.066 -6.079 -0.553 1.00 0.00 C ATOM 1407 O SER A 92 6.145 -6.154 0.041 1.00 0.00 O ATOM 1408 CB SER A 92 3.848 -8.279 -0.751 1.00 0.00 C ATOM 1409 OG SER A 92 3.528 -8.174 -2.133 1.00 0.00 O ATOM 0 H SER A 92 1.966 -6.750 -0.989 1.00 0.00 H new ATOM 0 HA SER A 92 3.955 -6.996 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.826 -8.745 -0.636 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.125 -8.928 -0.256 1.00 0.00 H new ATOM 0 HG SER A 92 3.535 -9.066 -2.539 1.00 0.00 H new ATOM 1415 N ARG A 93 4.873 -5.245 -1.585 1.00 0.00 N ATOM 1416 CA ARG A 93 5.885 -4.388 -2.219 1.00 0.00 C ATOM 1417 C ARG A 93 5.917 -2.954 -1.659 1.00 0.00 C ATOM 1418 O ARG A 93 6.454 -2.051 -2.302 1.00 0.00 O ATOM 1419 CB ARG A 93 5.681 -4.444 -3.744 1.00 0.00 C ATOM 1420 CG ARG A 93 6.079 -5.830 -4.276 1.00 0.00 C ATOM 1421 CD ARG A 93 5.817 -5.994 -5.776 1.00 0.00 C ATOM 1422 NE ARG A 93 4.390 -6.247 -6.055 1.00 0.00 N ATOM 1423 CZ ARG A 93 3.776 -7.427 -6.005 1.00 0.00 C ATOM 1424 NH1 ARG A 93 4.425 -8.546 -5.758 1.00 0.00 N ATOM 1425 NH2 ARG A 93 2.478 -7.497 -6.206 1.00 0.00 N ATOM 0 H ARG A 93 3.957 -5.145 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 93 6.875 -4.774 -1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.639 -4.237 -3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.281 -3.673 -4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.137 -5.999 -4.077 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.526 -6.595 -3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.137 -5.095 -6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.415 -6.819 -6.162 1.00 0.00 H new ATOM 0 HE ARG A 93 3.820 -5.441 -6.311 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.432 -8.527 -5.597 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.921 -9.432 -5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.945 -6.649 -6.399 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.004 -8.399 -6.168 1.00 0.00 H new ATOM 1439 N ALA A 94 5.403 -2.732 -0.444 1.00 0.00 N ATOM 1440 CA ALA A 94 5.454 -1.444 0.266 1.00 0.00 C ATOM 1441 C ALA A 94 6.859 -0.804 0.309 1.00 0.00 C ATOM 1442 O ALA A 94 6.982 0.413 0.181 1.00 0.00 O ATOM 1443 CB ALA A 94 4.925 -1.683 1.687 1.00 0.00 C ATOM 0 H ALA A 94 4.927 -3.460 0.088 1.00 0.00 H new ATOM 0 HA ALA A 94 4.839 -0.729 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.948 -0.747 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.900 -2.051 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.551 -2.421 2.189 1.00 0.00 H new ATOM 1449 N GLU A 95 7.913 -1.623 0.424 1.00 0.00 N ATOM 1450 CA GLU A 95 9.315 -1.185 0.396 1.00 0.00 C ATOM 1451 C GLU A 95 9.733 -0.611 -0.972 1.00 0.00 C ATOM 1452 O GLU A 95 10.433 0.400 -1.020 1.00 0.00 O ATOM 1453 CB GLU A 95 10.208 -2.375 0.791 1.00 0.00 C ATOM 1454 CG GLU A 95 11.678 -1.993 0.999 1.00 0.00 C ATOM 1455 CD GLU A 95 12.499 -3.207 1.459 1.00 0.00 C ATOM 1456 OE1 GLU A 95 12.408 -3.593 2.651 1.00 0.00 O ATOM 1457 OE2 GLU A 95 13.242 -3.787 0.636 1.00 0.00 O ATOM 0 H GLU A 95 7.812 -2.631 0.542 1.00 0.00 H new ATOM 0 HA GLU A 95 9.435 -0.370 1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.823 -2.819 1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.145 -3.139 0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.091 -1.600 0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.750 -1.198 1.741 1.00 0.00 H new ATOM 1464 N GLU A 96 9.269 -1.206 -2.079 1.00 0.00 N ATOM 1465 CA GLU A 96 9.542 -0.711 -3.434 1.00 0.00 C ATOM 1466 C GLU A 96 8.846 0.631 -3.675 1.00 0.00 C ATOM 1467 O GLU A 96 9.454 1.541 -4.239 1.00 0.00 O ATOM 1468 CB GLU A 96 9.072 -1.714 -4.503 1.00 0.00 C ATOM 1469 CG GLU A 96 9.841 -3.038 -4.524 1.00 0.00 C ATOM 1470 CD GLU A 96 11.259 -2.864 -5.092 1.00 0.00 C ATOM 1471 OE1 GLU A 96 12.197 -2.584 -4.310 1.00 0.00 O ATOM 1472 OE2 GLU A 96 11.437 -3.016 -6.324 1.00 0.00 O ATOM 0 H GLU A 96 8.692 -2.047 -2.059 1.00 0.00 H new ATOM 0 HA GLU A 96 10.621 -0.583 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.015 -1.926 -4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.157 -1.245 -5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.901 -3.440 -3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.295 -3.766 -5.124 1.00 0.00 H new ATOM 1479 N ILE A 97 7.599 0.783 -3.207 1.00 0.00 N ATOM 1480 CA ILE A 97 6.861 2.051 -3.309 1.00 0.00 C ATOM 1481 C ILE A 97 7.566 3.148 -2.495 1.00 0.00 C ATOM 1482 O ILE A 97 7.817 4.228 -3.029 1.00 0.00 O ATOM 1483 CB ILE A 97 5.377 1.886 -2.892 1.00 0.00 C ATOM 1484 CG1 ILE A 97 4.659 0.757 -3.676 1.00 0.00 C ATOM 1485 CG2 ILE A 97 4.632 3.219 -3.107 1.00 0.00 C ATOM 1486 CD1 ILE A 97 3.268 0.409 -3.128 1.00 0.00 C ATOM 0 H ILE A 97 7.076 0.036 -2.750 1.00 0.00 H new ATOM 0 HA ILE A 97 6.857 2.358 -4.355 1.00 0.00 H new ATOM 0 HB ILE A 97 5.364 1.606 -1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.563 1.056 -4.720 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.281 -0.138 -3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.588 3.104 -2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.096 3.997 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.685 3.500 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.830 -0.388 -3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.357 0.078 -2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.628 1.290 -3.173 1.00 0.00 H new ATOM 1498 N PHE A 98 7.950 2.865 -1.243 1.00 0.00 N ATOM 1499 CA PHE A 98 8.660 3.810 -0.378 1.00 0.00 C ATOM 1500 C PHE A 98 10.013 4.247 -0.964 1.00 0.00 C ATOM 1501 O PHE A 98 10.326 5.440 -0.960 1.00 0.00 O ATOM 1502 CB PHE A 98 8.820 3.150 0.996 1.00 0.00 C ATOM 1503 CG PHE A 98 9.596 3.971 2.004 1.00 0.00 C ATOM 1504 CD1 PHE A 98 8.960 5.004 2.716 1.00 0.00 C ATOM 1505 CD2 PHE A 98 10.954 3.688 2.240 1.00 0.00 C ATOM 1506 CE1 PHE A 98 9.682 5.750 3.667 1.00 0.00 C ATOM 1507 CE2 PHE A 98 11.668 4.420 3.204 1.00 0.00 C ATOM 1508 CZ PHE A 98 11.032 5.451 3.917 1.00 0.00 C ATOM 0 H PHE A 98 7.773 1.963 -0.800 1.00 0.00 H new ATOM 0 HA PHE A 98 8.080 4.729 -0.291 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.830 2.942 1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.320 2.190 0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.919 5.225 2.533 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.448 2.908 1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.198 6.552 4.204 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.705 4.190 3.397 1.00 0.00 H new ATOM 0 HZ PHE A 98 11.581 6.014 4.657 1.00 0.00 H new ATOM 1518 N ASN A 99 10.797 3.310 -1.512 1.00 0.00 N ATOM 1519 CA ASN A 99 12.080 3.616 -2.152 1.00 0.00 C ATOM 1520 C ASN A 99 11.898 4.463 -3.424 1.00 0.00 C ATOM 1521 O ASN A 99 12.555 5.494 -3.576 1.00 0.00 O ATOM 1522 CB ASN A 99 12.833 2.314 -2.475 1.00 0.00 C ATOM 1523 CG ASN A 99 13.393 1.596 -1.248 1.00 0.00 C ATOM 1524 OD1 ASN A 99 13.573 2.163 -0.176 1.00 0.00 O ATOM 1525 ND2 ASN A 99 13.724 0.324 -1.387 1.00 0.00 N ATOM 0 H ASN A 99 10.558 2.318 -1.523 1.00 0.00 H new ATOM 0 HA ASN A 99 12.669 4.206 -1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.159 1.638 -3.002 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.653 2.541 -3.156 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.129 -0.186 -0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.574 -0.147 -2.279 1.00 0.00 H new ATOM 1532 N LEU A 100 10.964 4.082 -4.304 1.00 0.00 N ATOM 1533 CA LEU A 100 10.649 4.812 -5.535 1.00 0.00 C ATOM 1534 C LEU A 100 10.132 6.226 -5.239 1.00 0.00 C ATOM 1535 O LEU A 100 10.551 7.175 -5.896 1.00 0.00 O ATOM 1536 CB LEU A 100 9.633 3.963 -6.320 1.00 0.00 C ATOM 1537 CG LEU A 100 9.148 4.556 -7.654 1.00 0.00 C ATOM 1538 CD1 LEU A 100 10.295 4.772 -8.652 1.00 0.00 C ATOM 1539 CD2 LEU A 100 8.104 3.606 -8.255 1.00 0.00 C ATOM 0 H LEU A 100 10.397 3.244 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 100 11.547 4.959 -6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.080 2.989 -6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.764 3.791 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 100 8.715 5.536 -7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.899 5.192 -9.576 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.025 5.460 -8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.777 3.818 -8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.748 4.010 -9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.556 2.629 -8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.266 3.504 -7.566 1.00 0.00 H new ATOM 1551 N LEU A 101 9.287 6.385 -4.215 1.00 0.00 N ATOM 1552 CA LEU A 101 8.773 7.681 -3.774 1.00 0.00 C ATOM 1553 C LEU A 101 9.898 8.637 -3.368 1.00 0.00 C ATOM 1554 O LEU A 101 9.962 9.749 -3.895 1.00 0.00 O ATOM 1555 CB LEU A 101 7.772 7.442 -2.627 1.00 0.00 C ATOM 1556 CG LEU A 101 7.094 8.715 -2.089 1.00 0.00 C ATOM 1557 CD1 LEU A 101 6.256 9.416 -3.165 1.00 0.00 C ATOM 1558 CD2 LEU A 101 6.183 8.328 -0.922 1.00 0.00 C ATOM 0 H LEU A 101 8.937 5.603 -3.662 1.00 0.00 H new ATOM 0 HA LEU A 101 8.261 8.170 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.000 6.755 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.292 6.949 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 101 7.873 9.407 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.795 10.309 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.898 9.699 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.478 8.739 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.695 9.220 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.427 7.624 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.777 7.864 -0.135 1.00 0.00 H new ATOM 1570 N GLN A 102 10.805 8.215 -2.480 1.00 0.00 N ATOM 1571 CA GLN A 102 11.913 9.076 -2.059 1.00 0.00 C ATOM 1572 C GLN A 102 12.912 9.348 -3.195 1.00 0.00 C ATOM 1573 O GLN A 102 13.460 10.445 -3.264 1.00 0.00 O ATOM 1574 CB GLN A 102 12.599 8.532 -0.798 1.00 0.00 C ATOM 1575 CG GLN A 102 13.337 7.199 -0.957 1.00 0.00 C ATOM 1576 CD GLN A 102 14.111 6.832 0.306 1.00 0.00 C ATOM 1577 OE1 GLN A 102 15.215 7.300 0.555 1.00 0.00 O ATOM 1578 NE2 GLN A 102 13.566 5.993 1.162 1.00 0.00 N ATOM 0 H GLN A 102 10.794 7.293 -2.044 1.00 0.00 H new ATOM 0 HA GLN A 102 11.483 10.043 -1.800 1.00 0.00 H new ATOM 0 HB2 GLN A 102 13.310 9.279 -0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.845 8.417 -0.019 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.620 6.411 -1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 102 14.024 7.261 -1.801 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.647 5.594 0.970 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.063 5.742 2.017 1.00 0.00 H new ATOM 1587 N ASP A 103 13.104 8.401 -4.121 1.00 0.00 N ATOM 1588 CA ASP A 103 13.965 8.571 -5.294 1.00 0.00 C ATOM 1589 C ASP A 103 13.430 9.627 -6.273 1.00 0.00 C ATOM 1590 O ASP A 103 14.197 10.463 -6.758 1.00 0.00 O ATOM 1591 CB ASP A 103 14.169 7.216 -5.999 1.00 0.00 C ATOM 1592 CG ASP A 103 15.286 6.366 -5.368 1.00 0.00 C ATOM 1593 OD1 ASP A 103 16.278 6.950 -4.864 1.00 0.00 O ATOM 1594 OD2 ASP A 103 15.194 5.118 -5.433 1.00 0.00 O ATOM 0 H ASP A 103 12.659 7.484 -4.075 1.00 0.00 H new ATOM 0 HA ASP A 103 14.928 8.940 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.235 6.655 -5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.404 7.392 -7.049 1.00 0.00 H new ATOM 1599 N LEU A 104 12.115 9.638 -6.510 1.00 0.00 N ATOM 1600 CA LEU A 104 11.440 10.635 -7.345 1.00 0.00 C ATOM 1601 C LEU A 104 11.365 12.011 -6.662 1.00 0.00 C ATOM 1602 O LEU A 104 11.388 13.034 -7.350 1.00 0.00 O ATOM 1603 CB LEU A 104 10.040 10.113 -7.712 1.00 0.00 C ATOM 1604 CG LEU A 104 10.065 8.873 -8.632 1.00 0.00 C ATOM 1605 CD1 LEU A 104 8.683 8.216 -8.631 1.00 0.00 C ATOM 1606 CD2 LEU A 104 10.471 9.220 -10.072 1.00 0.00 C ATOM 0 H LEU A 104 11.479 8.942 -6.120 1.00 0.00 H new ATOM 0 HA LEU A 104 12.024 10.782 -8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.502 9.865 -6.797 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.482 10.909 -8.204 1.00 0.00 H new ATOM 0 HG LEU A 104 10.816 8.186 -8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.696 7.340 -9.279 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.425 7.913 -7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.942 8.927 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.473 8.314 -10.678 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.760 9.933 -10.489 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.469 9.659 -10.073 1.00 0.00 H new ATOM 1618 N MET A 105 11.340 12.052 -5.324 1.00 0.00 N ATOM 1619 CA MET A 105 11.398 13.292 -4.538 1.00 0.00 C ATOM 1620 C MET A 105 12.805 13.901 -4.477 1.00 0.00 C ATOM 1621 O MET A 105 12.924 15.125 -4.559 1.00 0.00 O ATOM 1622 CB MET A 105 10.874 13.033 -3.122 1.00 0.00 C ATOM 1623 CG MET A 105 9.352 12.889 -3.106 1.00 0.00 C ATOM 1624 SD MET A 105 8.737 12.320 -1.508 1.00 0.00 S ATOM 1625 CE MET A 105 7.222 13.295 -1.383 1.00 0.00 C ATOM 0 H MET A 105 11.278 11.212 -4.748 1.00 0.00 H new ATOM 0 HA MET A 105 10.765 14.020 -5.045 1.00 0.00 H new ATOM 0 HB2 MET A 105 11.331 12.127 -2.724 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.170 13.853 -2.468 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.896 13.849 -3.348 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.047 12.186 -3.882 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.734 13.089 -0.430 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.466 14.356 -1.444 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.550 13.030 -2.199 1.00 0.00 H new ATOM 2019 N PHE A 136 -10.306 5.790 2.669 1.00 0.00 N ATOM 2020 CA PHE A 136 -10.432 5.967 4.115 1.00 0.00 C ATOM 2021 C PHE A 136 -9.362 6.930 4.656 1.00 0.00 C ATOM 2022 O PHE A 136 -8.163 6.658 4.557 1.00 0.00 O ATOM 2023 CB PHE A 136 -10.378 4.590 4.793 1.00 0.00 C ATOM 2024 CG PHE A 136 -10.811 4.600 6.246 1.00 0.00 C ATOM 2025 CD1 PHE A 136 -9.942 5.079 7.243 1.00 0.00 C ATOM 2026 CD2 PHE A 136 -12.093 4.137 6.605 1.00 0.00 C ATOM 2027 CE1 PHE A 136 -10.356 5.106 8.586 1.00 0.00 C ATOM 2028 CE2 PHE A 136 -12.502 4.158 7.950 1.00 0.00 C ATOM 2029 CZ PHE A 136 -11.634 4.646 8.942 1.00 0.00 C ATOM 0 HA PHE A 136 -11.393 6.427 4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -11.014 3.899 4.240 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -9.360 4.206 4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -8.955 5.427 6.976 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -12.763 3.765 5.844 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -9.688 5.482 9.347 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -13.484 3.799 8.221 1.00 0.00 H new ATOM 0 HZ PHE A 136 -11.949 4.667 9.975 1.00 0.00 H new ATOM 2039 N ARG A 137 -9.810 8.038 5.258 1.00 0.00 N ATOM 2040 CA ARG A 137 -8.962 9.050 5.904 1.00 0.00 C ATOM 2041 C ARG A 137 -8.681 8.626 7.354 1.00 0.00 C ATOM 2042 O ARG A 137 -9.574 8.668 8.204 1.00 0.00 O ATOM 2043 CB ARG A 137 -9.649 10.428 5.833 1.00 0.00 C ATOM 2044 CG ARG A 137 -9.720 10.970 4.392 1.00 0.00 C ATOM 2045 CD ARG A 137 -10.685 12.152 4.229 1.00 0.00 C ATOM 2046 NE ARG A 137 -10.201 13.378 4.891 1.00 0.00 N ATOM 2047 CZ ARG A 137 -10.944 14.324 5.455 1.00 0.00 C ATOM 2048 NH1 ARG A 137 -12.253 14.235 5.558 1.00 0.00 N ATOM 2049 NH2 ARG A 137 -10.354 15.399 5.923 1.00 0.00 N ATOM 0 H ARG A 137 -10.803 8.263 5.311 1.00 0.00 H new ATOM 0 HA ARG A 137 -8.008 9.130 5.383 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -10.657 10.351 6.240 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -9.106 11.136 6.459 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.723 11.280 4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -10.028 10.165 3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -10.833 12.351 3.168 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -11.657 11.881 4.641 1.00 0.00 H new ATOM 0 HE ARG A 137 -9.190 13.514 4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -12.738 13.414 5.196 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.782 14.987 5.999 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -9.341 15.498 5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -10.908 16.136 6.359 1.00 0.00 H new ATOM 2063 N LEU A 138 -7.451 8.189 7.629 1.00 0.00 N ATOM 2064 CA LEU A 138 -7.020 7.656 8.929 1.00 0.00 C ATOM 2065 C LEU A 138 -6.872 8.760 9.983 1.00 0.00 C ATOM 2066 O LEU A 138 -6.482 9.889 9.667 1.00 0.00 O ATOM 2067 CB LEU A 138 -5.694 6.893 8.746 1.00 0.00 C ATOM 2068 CG LEU A 138 -5.815 5.637 7.864 1.00 0.00 C ATOM 2069 CD1 LEU A 138 -4.433 5.141 7.442 1.00 0.00 C ATOM 2070 CD2 LEU A 138 -6.522 4.501 8.606 1.00 0.00 C ATOM 0 H LEU A 138 -6.703 8.195 6.935 1.00 0.00 H new ATOM 0 HA LEU A 138 -7.789 6.976 9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -4.957 7.565 8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.315 6.602 9.726 1.00 0.00 H new ATOM 0 HG LEU A 138 -6.399 5.919 6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -4.540 4.253 6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.923 5.921 6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.849 4.895 8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.591 3.629 7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -5.955 4.242 9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.524 4.821 8.891 1.00 0.00 H new ATOM 2082 N ARG A 139 -7.161 8.418 11.244 1.00 0.00 N ATOM 2083 CA ARG A 139 -7.050 9.326 12.397 1.00 0.00 C ATOM 2084 C ARG A 139 -5.611 9.489 12.910 1.00 0.00 C ATOM 2085 O ARG A 139 -5.275 10.507 13.517 1.00 0.00 O ATOM 2086 CB ARG A 139 -7.938 8.808 13.535 1.00 0.00 C ATOM 2087 CG ARG A 139 -9.429 9.069 13.259 1.00 0.00 C ATOM 2088 CD ARG A 139 -10.316 8.726 14.463 1.00 0.00 C ATOM 2089 NE ARG A 139 -10.119 9.678 15.573 1.00 0.00 N ATOM 2090 CZ ARG A 139 -10.661 9.604 16.785 1.00 0.00 C ATOM 2091 NH1 ARG A 139 -11.470 8.622 17.130 1.00 0.00 N ATOM 2092 NH2 ARG A 139 -10.394 10.533 17.677 1.00 0.00 N ATOM 0 H ARG A 139 -7.485 7.485 11.499 1.00 0.00 H new ATOM 0 HA ARG A 139 -7.377 10.309 12.058 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -7.774 7.738 13.666 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -7.651 9.291 14.469 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -9.569 10.117 12.995 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.745 8.479 12.399 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -11.362 8.733 14.158 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -10.091 7.716 14.805 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.505 10.473 15.393 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -11.697 7.889 16.458 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -11.869 8.596 18.068 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -9.773 11.306 17.438 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -10.808 10.480 18.608 1.00 0.00 H new ATOM 2106 N HIS A 140 -4.764 8.495 12.654 1.00 0.00 N ATOM 2107 CA HIS A 140 -3.346 8.436 13.037 1.00 0.00 C ATOM 2108 C HIS A 140 -2.449 7.910 11.893 1.00 0.00 C ATOM 2109 O HIS A 140 -2.947 7.357 10.909 1.00 0.00 O ATOM 2110 CB HIS A 140 -3.215 7.570 14.303 1.00 0.00 C ATOM 2111 CG HIS A 140 -3.387 6.094 14.045 1.00 0.00 C ATOM 2112 ND1 HIS A 140 -2.345 5.197 13.795 1.00 0.00 N ATOM 2113 CD2 HIS A 140 -4.574 5.423 13.981 1.00 0.00 C ATOM 2114 CE1 HIS A 140 -2.933 4.007 13.594 1.00 0.00 C ATOM 2115 NE2 HIS A 140 -4.271 4.109 13.697 1.00 0.00 N ATOM 0 H HIS A 140 -5.060 7.661 12.146 1.00 0.00 H new ATOM 0 HA HIS A 140 -2.995 9.447 13.246 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -2.236 7.741 14.750 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -3.959 7.892 15.032 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.559 5.841 14.125 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -2.403 3.091 13.379 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -4.942 3.349 13.585 1.00 0.00 H new ATOM 2123 N PHE A 141 -1.127 8.068 12.029 1.00 0.00 N ATOM 2124 CA PHE A 141 -0.137 7.565 11.069 1.00 0.00 C ATOM 2125 C PHE A 141 0.351 6.158 11.496 1.00 0.00 C ATOM 2126 O PHE A 141 0.990 6.049 12.548 1.00 0.00 O ATOM 2127 CB PHE A 141 1.003 8.591 10.940 1.00 0.00 C ATOM 2128 CG PHE A 141 1.795 8.425 9.658 1.00 0.00 C ATOM 2129 CD1 PHE A 141 1.300 8.970 8.459 1.00 0.00 C ATOM 2130 CD2 PHE A 141 3.005 7.708 9.652 1.00 0.00 C ATOM 2131 CE1 PHE A 141 1.998 8.779 7.255 1.00 0.00 C ATOM 2132 CE2 PHE A 141 3.701 7.513 8.446 1.00 0.00 C ATOM 2133 CZ PHE A 141 3.193 8.041 7.247 1.00 0.00 C ATOM 0 H PHE A 141 -0.709 8.556 12.821 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.582 7.447 10.081 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.587 9.598 10.978 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.674 8.492 11.793 1.00 0.00 H new ATOM 0 HD1 PHE A 141 0.381 9.537 8.464 1.00 0.00 H new ATOM 0 HD2 PHE A 141 3.400 7.307 10.574 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.616 9.199 6.336 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.627 6.957 8.441 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.722 7.879 6.319 1.00 0.00 H new ATOM 2143 N PRO A 142 0.053 5.082 10.731 1.00 0.00 N ATOM 2144 CA PRO A 142 0.270 3.703 11.173 1.00 0.00 C ATOM 2145 C PRO A 142 1.699 3.176 10.963 1.00 0.00 C ATOM 2146 O PRO A 142 2.097 2.242 11.660 1.00 0.00 O ATOM 2147 CB PRO A 142 -0.740 2.874 10.373 1.00 0.00 C ATOM 2148 CG PRO A 142 -0.826 3.628 9.048 1.00 0.00 C ATOM 2149 CD PRO A 142 -0.722 5.085 9.495 1.00 0.00 C ATOM 0 HA PRO A 142 0.133 3.638 12.252 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -0.400 1.848 10.233 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -1.707 2.823 10.873 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -0.018 3.352 8.370 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -1.762 3.428 8.527 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -0.234 5.691 8.732 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -1.711 5.513 9.658 1.00 0.00 H new ATOM 2157 N CYS A 143 2.479 3.747 10.035 1.00 0.00 N ATOM 2158 CA CYS A 143 3.841 3.293 9.723 1.00 0.00 C ATOM 2159 C CYS A 143 4.889 4.005 10.597 1.00 0.00 C ATOM 2160 O CYS A 143 4.881 5.232 10.706 1.00 0.00 O ATOM 2161 CB CYS A 143 4.112 3.522 8.227 1.00 0.00 C ATOM 2162 SG CYS A 143 3.015 2.490 7.209 1.00 0.00 S ATOM 0 H CYS A 143 2.179 4.545 9.474 1.00 0.00 H new ATOM 0 HA CYS A 143 3.922 2.229 9.946 1.00 0.00 H new ATOM 0 HB2 CYS A 143 3.961 4.573 7.982 1.00 0.00 H new ATOM 0 HB3 CYS A 143 5.152 3.288 8.001 1.00 0.00 H new ATOM 0 HG CYS A 143 3.262 2.704 5.951 1.00 0.00 H new ATOM 2168 N GLY A 144 5.826 3.254 11.186 1.00 0.00 N ATOM 2169 CA GLY A 144 6.867 3.806 12.070 1.00 0.00 C ATOM 2170 C GLY A 144 8.004 4.504 11.322 1.00 0.00 C ATOM 2171 O GLY A 144 8.546 5.499 11.804 1.00 0.00 O ATOM 0 H GLY A 144 5.887 2.243 11.065 1.00 0.00 H new ATOM 0 HA2 GLY A 144 6.408 4.516 12.758 1.00 0.00 H new ATOM 0 HA3 GLY A 144 7.283 3.000 12.674 1.00 0.00 H new ATOM 2175 N ASN A 145 8.356 4.026 10.125 1.00 0.00 N ATOM 2176 CA ASN A 145 9.508 4.510 9.351 1.00 0.00 C ATOM 2177 C ASN A 145 9.187 5.786 8.542 1.00 0.00 C ATOM 2178 O ASN A 145 9.239 5.802 7.312 1.00 0.00 O ATOM 2179 CB ASN A 145 10.043 3.390 8.457 1.00 0.00 C ATOM 2180 CG ASN A 145 10.449 2.147 9.245 1.00 0.00 C ATOM 2181 OD1 ASN A 145 11.408 2.157 10.008 1.00 0.00 O ATOM 2182 ND2 ASN A 145 9.729 1.050 9.095 1.00 0.00 N ATOM 0 H ASN A 145 7.842 3.280 9.657 1.00 0.00 H new ATOM 0 HA ASN A 145 10.287 4.796 10.057 1.00 0.00 H new ATOM 0 HB2 ASN A 145 9.281 3.119 7.727 1.00 0.00 H new ATOM 0 HB3 ASN A 145 10.904 3.757 7.898 1.00 0.00 H new ATOM 0 HD21 ASN A 145 9.970 0.207 9.615 1.00 0.00 H new ATOM 0 HD22 ASN A 145 8.932 1.046 8.459 1.00 0.00 H new ATOM 2189 N VAL A 146 8.827 6.851 9.253 1.00 0.00 N ATOM 2190 CA VAL A 146 8.509 8.176 8.690 1.00 0.00 C ATOM 2191 C VAL A 146 9.757 8.809 8.056 1.00 0.00 C ATOM 2192 O VAL A 146 10.846 8.800 8.629 1.00 0.00 O ATOM 2193 CB VAL A 146 7.886 9.126 9.744 1.00 0.00 C ATOM 2194 CG1 VAL A 146 7.710 10.564 9.234 1.00 0.00 C ATOM 2195 CG2 VAL A 146 6.506 8.628 10.193 1.00 0.00 C ATOM 0 H VAL A 146 8.744 6.823 10.269 1.00 0.00 H new ATOM 0 HA VAL A 146 7.760 8.025 7.913 1.00 0.00 H new ATOM 0 HB VAL A 146 8.592 9.128 10.574 1.00 0.00 H new ATOM 0 HG11 VAL A 146 7.269 11.177 10.020 1.00 0.00 H new ATOM 0 HG12 VAL A 146 8.681 10.973 8.956 1.00 0.00 H new ATOM 0 HG13 VAL A 146 7.054 10.564 8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 146 6.094 9.315 10.932 1.00 0.00 H new ATOM 0 HG22 VAL A 146 5.839 8.579 9.332 1.00 0.00 H new ATOM 0 HG23 VAL A 146 6.603 7.636 10.634 1.00 0.00 H new ATOM 2205 N ASN A 147 9.559 9.386 6.872 1.00 0.00 N ATOM 2206 CA ASN A 147 10.541 10.096 6.053 1.00 0.00 C ATOM 2207 C ASN A 147 9.881 11.327 5.387 1.00 0.00 C ATOM 2208 O ASN A 147 8.651 11.432 5.316 1.00 0.00 O ATOM 2209 CB ASN A 147 11.132 9.089 5.050 1.00 0.00 C ATOM 2210 CG ASN A 147 12.379 9.574 4.314 1.00 0.00 C ATOM 2211 OD1 ASN A 147 13.012 10.559 4.674 1.00 0.00 O ATOM 2212 ND2 ASN A 147 12.784 8.874 3.269 1.00 0.00 N ATOM 0 H ASN A 147 8.641 9.368 6.427 1.00 0.00 H new ATOM 0 HA ASN A 147 11.361 10.491 6.653 1.00 0.00 H new ATOM 0 HB2 ASN A 147 11.376 8.169 5.581 1.00 0.00 H new ATOM 0 HB3 ASN A 147 10.367 8.839 4.314 1.00 0.00 H new ATOM 0 HD21 ASN A 147 13.624 9.154 2.762 1.00 0.00 H new ATOM 0 HD22 ASN A 147 12.257 8.054 2.969 1.00 0.00 H new ATOM 2219 N TYR A 148 10.695 12.280 4.925 1.00 0.00 N ATOM 2220 CA TYR A 148 10.262 13.613 4.486 1.00 0.00 C ATOM 2221 C TYR A 148 10.794 13.968 3.084 1.00 0.00 C ATOM 2222 O TYR A 148 11.968 13.746 2.773 1.00 0.00 O ATOM 2223 CB TYR A 148 10.711 14.648 5.532 1.00 0.00 C ATOM 2224 CG TYR A 148 10.375 14.279 6.968 1.00 0.00 C ATOM 2225 CD1 TYR A 148 9.040 14.334 7.418 1.00 0.00 C ATOM 2226 CD2 TYR A 148 11.390 13.846 7.845 1.00 0.00 C ATOM 2227 CE1 TYR A 148 8.720 13.960 8.739 1.00 0.00 C ATOM 2228 CE2 TYR A 148 11.076 13.472 9.165 1.00 0.00 C ATOM 2229 CZ TYR A 148 9.742 13.535 9.619 1.00 0.00 C ATOM 2230 OH TYR A 148 9.447 13.175 10.902 1.00 0.00 O ATOM 0 H TYR A 148 11.702 12.143 4.843 1.00 0.00 H new ATOM 0 HA TYR A 148 9.175 13.618 4.406 1.00 0.00 H new ATOM 0 HB2 TYR A 148 11.789 14.786 5.448 1.00 0.00 H new ATOM 0 HB3 TYR A 148 10.248 15.607 5.298 1.00 0.00 H new ATOM 0 HD1 TYR A 148 8.260 14.664 6.748 1.00 0.00 H new ATOM 0 HD2 TYR A 148 12.413 13.801 7.503 1.00 0.00 H new ATOM 0 HE1 TYR A 148 7.695 13.998 9.079 1.00 0.00 H new ATOM 0 HE2 TYR A 148 11.857 13.136 9.831 1.00 0.00 H new ATOM 0 HH TYR A 148 10.269 12.909 11.364 1.00 0.00 H new