USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 646 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 22 THR OG1 : rot 180:sc= -0.0902 USER MOD Set 1.2: A 23 ASN : amide:sc= -0.688 K(o=-0.78,f=-3.5!) USER MOD Single : A 10 SER OG : rot 18:sc= 0.37 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 15 SER OG : rot 180:sc= -0.993 USER MOD Single : A 16 ASN : amide:sc= -0.0777 X(o=-0.078,f=-0.32) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0677 X(o=-0.068,f=-0.068) USER MOD Single : A 27 TYR OH : rot 121:sc= 1.2 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 70:sc= -3.15! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -177:sc= 0 (180deg=-0.0149) USER MOD Single : A 43 LYS NZ :NH3+ -156:sc= -0.0593 (180deg=-0.385) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 49 LYS NZ :NH3+ -106:sc= 0.224 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0833) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN :FLIP amide:sc= -6.64! C(o=-7.3!,f=-6.6!) USER MOD Single : A 66 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.5!) USER MOD Single : A 67 CYS SG : rot 88:sc= -0.711! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00251 USER MOD Single : A 72 ASN : amide:sc= -0.487 K(o=-0.49,f=-1.9) USER MOD Single : A 73 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.4!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0772 K(o=-0.077,f=-0.78) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 9:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 184 N SER A 10 -1.175 11.779 1.865 1.00 0.00 N ATOM 185 CA SER A 10 -1.207 10.693 0.893 1.00 0.00 C ATOM 186 C SER A 10 -1.166 9.337 1.592 1.00 0.00 C ATOM 187 O SER A 10 -2.053 8.503 1.408 1.00 0.00 O ATOM 188 CB SER A 10 -0.032 10.815 -0.078 1.00 0.00 C ATOM 189 OG SER A 10 0.211 12.169 -0.419 1.00 0.00 O ATOM 0 HA SER A 10 -2.140 10.766 0.334 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.862 10.384 0.373 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.242 10.242 -0.981 1.00 0.00 H new ATOM 0 HG SER A 10 -0.225 12.754 0.235 1.00 0.00 H new ATOM 195 N THR A 11 -0.129 9.124 2.395 1.00 0.00 N ATOM 196 CA THR A 11 0.031 7.870 3.121 1.00 0.00 C ATOM 197 C THR A 11 -1.317 7.325 3.578 1.00 0.00 C ATOM 198 O THR A 11 -2.139 8.055 4.131 1.00 0.00 O ATOM 199 CB THR A 11 0.944 8.044 4.349 1.00 0.00 C ATOM 200 OG1 THR A 11 2.297 8.249 3.928 1.00 0.00 O ATOM 201 CG2 THR A 11 0.868 6.826 5.257 1.00 0.00 C ATOM 0 H THR A 11 0.613 9.804 2.559 1.00 0.00 H new ATOM 0 HA THR A 11 0.492 7.162 2.432 1.00 0.00 H new ATOM 0 HB THR A 11 0.602 8.915 4.908 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.871 8.361 4.714 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.521 6.972 6.117 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.158 6.691 5.599 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.186 5.941 4.706 1.00 0.00 H new ATOM 209 N VAL A 12 -1.539 6.035 3.344 1.00 0.00 N ATOM 210 CA VAL A 12 -2.787 5.390 3.734 1.00 0.00 C ATOM 211 C VAL A 12 -2.550 4.338 4.811 1.00 0.00 C ATOM 212 O VAL A 12 -1.805 3.380 4.604 1.00 0.00 O ATOM 213 CB VAL A 12 -3.476 4.727 2.527 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.721 3.972 2.970 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.821 5.767 1.472 1.00 0.00 C ATOM 0 H VAL A 12 -0.870 5.416 2.886 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.436 6.171 4.131 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.784 4.010 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.194 3.510 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.442 3.199 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.420 4.665 3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.307 5.280 0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.495 6.510 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.909 6.258 1.133 1.00 0.00 H new ATOM 225 N TYR A 13 -3.187 4.523 5.962 1.00 0.00 N ATOM 226 CA TYR A 13 -3.044 3.591 7.073 1.00 0.00 C ATOM 227 C TYR A 13 -3.864 2.327 6.833 1.00 0.00 C ATOM 228 O TYR A 13 -5.086 2.328 6.979 1.00 0.00 O ATOM 229 CB TYR A 13 -3.480 4.254 8.381 1.00 0.00 C ATOM 230 CG TYR A 13 -2.942 3.567 9.617 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.119 2.203 9.809 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.257 4.284 10.590 1.00 0.00 C ATOM 233 CE1 TYR A 13 -2.630 1.572 10.937 1.00 0.00 C ATOM 234 CE2 TYR A 13 -1.763 3.661 11.720 1.00 0.00 C ATOM 235 CZ TYR A 13 -1.952 2.305 11.889 1.00 0.00 C ATOM 236 OH TYR A 13 -1.463 1.680 13.013 1.00 0.00 O ATOM 0 H TYR A 13 -3.808 5.310 6.149 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.993 3.312 7.147 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.149 5.293 8.380 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.569 4.266 8.427 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.647 1.626 9.065 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.108 5.346 10.461 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.778 0.511 11.073 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.232 4.232 12.467 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.011 2.337 13.582 1.00 0.00 H new ATOM 246 N VAL A 14 -3.181 1.248 6.464 1.00 0.00 N ATOM 247 CA VAL A 14 -3.843 -0.025 6.205 1.00 0.00 C ATOM 248 C VAL A 14 -3.457 -1.068 7.247 1.00 0.00 C ATOM 249 O VAL A 14 -2.289 -1.189 7.616 1.00 0.00 O ATOM 250 CB VAL A 14 -3.496 -0.563 4.804 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.430 -1.701 4.423 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.558 0.555 3.774 1.00 0.00 C ATOM 0 H VAL A 14 -2.169 1.230 6.338 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.916 0.160 6.260 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.478 -0.951 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.170 -2.068 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.332 -2.510 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.459 -1.341 4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.310 0.157 2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.564 0.975 3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.845 1.335 4.040 1.00 0.00 H new ATOM 262 N SER A 15 -4.447 -1.820 7.719 1.00 0.00 N ATOM 263 CA SER A 15 -4.211 -2.851 8.722 1.00 0.00 C ATOM 264 C SER A 15 -4.738 -4.202 8.247 1.00 0.00 C ATOM 265 O SER A 15 -5.432 -4.288 7.235 1.00 0.00 O ATOM 266 CB SER A 15 -4.878 -2.467 10.045 1.00 0.00 C ATOM 267 OG SER A 15 -6.223 -2.067 9.841 1.00 0.00 O ATOM 0 H SER A 15 -5.419 -1.734 7.423 1.00 0.00 H new ATOM 0 HA SER A 15 -3.135 -2.934 8.876 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.847 -3.314 10.731 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.321 -1.656 10.515 1.00 0.00 H new ATOM 0 HG SER A 15 -6.627 -1.828 10.701 1.00 0.00 H new ATOM 273 N ASN A 16 -4.403 -5.254 8.986 1.00 0.00 N ATOM 274 CA ASN A 16 -4.841 -6.601 8.641 1.00 0.00 C ATOM 275 C ASN A 16 -4.282 -7.025 7.286 1.00 0.00 C ATOM 276 O ASN A 16 -4.910 -7.793 6.555 1.00 0.00 O ATOM 277 CB ASN A 16 -6.369 -6.673 8.620 1.00 0.00 C ATOM 278 CG ASN A 16 -6.950 -7.036 9.973 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.981 -6.214 10.888 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.414 -8.274 10.104 1.00 0.00 N ATOM 0 H ASN A 16 -3.830 -5.200 9.828 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.462 -7.285 9.400 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.771 -5.711 8.301 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.685 -7.411 7.882 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.817 -8.577 10.991 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.368 -8.922 9.318 1.00 0.00 H new ATOM 287 N LEU A 17 -3.098 -6.520 6.957 1.00 0.00 N ATOM 288 CA LEU A 17 -2.453 -6.846 5.690 1.00 0.00 C ATOM 289 C LEU A 17 -1.688 -8.162 5.792 1.00 0.00 C ATOM 290 O LEU A 17 -1.082 -8.479 6.815 1.00 0.00 O ATOM 291 CB LEU A 17 -1.502 -5.722 5.275 1.00 0.00 C ATOM 292 CG LEU A 17 -2.157 -4.475 4.681 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.154 -3.336 4.591 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.742 -4.781 3.310 1.00 0.00 C ATOM 0 H LEU A 17 -2.565 -5.883 7.550 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.229 -6.955 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.922 -5.423 6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.797 -6.120 4.545 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.968 -4.166 5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.639 -2.457 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.782 -3.099 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.321 -3.634 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.204 -3.882 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.948 -5.116 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.493 -5.565 3.402 1.00 0.00 H new ATOM 306 N PRO A 18 -1.714 -8.947 4.704 1.00 0.00 N ATOM 307 CA PRO A 18 -1.026 -10.240 4.645 1.00 0.00 C ATOM 308 C PRO A 18 0.492 -10.089 4.620 1.00 0.00 C ATOM 309 O PRO A 18 1.117 -10.173 3.563 1.00 0.00 O ATOM 310 CB PRO A 18 -1.524 -10.847 3.331 1.00 0.00 C ATOM 311 CG PRO A 18 -1.906 -9.676 2.493 1.00 0.00 C ATOM 312 CD PRO A 18 -2.416 -8.632 3.449 1.00 0.00 C ATOM 0 HA PRO A 18 -1.236 -10.854 5.521 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.747 -11.441 2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.374 -11.509 3.498 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.051 -9.304 1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.672 -9.949 1.767 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.187 -7.624 3.103 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.498 -8.690 3.568 1.00 0.00 H new ATOM 320 N PHE A 19 1.078 -9.866 5.791 1.00 0.00 N ATOM 321 CA PHE A 19 2.523 -9.702 5.904 1.00 0.00 C ATOM 322 C PHE A 19 3.254 -10.702 5.012 1.00 0.00 C ATOM 323 O PHE A 19 4.368 -10.444 4.555 1.00 0.00 O ATOM 324 CB PHE A 19 2.966 -9.879 7.357 1.00 0.00 C ATOM 325 CG PHE A 19 2.245 -10.985 8.074 1.00 0.00 C ATOM 326 CD1 PHE A 19 1.061 -10.735 8.748 1.00 0.00 C ATOM 327 CD2 PHE A 19 2.751 -12.274 8.073 1.00 0.00 C ATOM 328 CE1 PHE A 19 0.396 -11.750 9.408 1.00 0.00 C ATOM 329 CE2 PHE A 19 2.091 -13.294 8.731 1.00 0.00 C ATOM 330 CZ PHE A 19 0.911 -13.032 9.399 1.00 0.00 C ATOM 0 H PHE A 19 0.575 -9.795 6.675 1.00 0.00 H new ATOM 0 HA PHE A 19 2.776 -8.694 5.575 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.037 -10.080 7.380 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.806 -8.944 7.894 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.653 -9.735 8.758 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.673 -12.485 7.551 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.526 -11.542 9.931 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.497 -14.295 8.723 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.392 -13.827 9.913 1.00 0.00 H new ATOM 340 N SER A 20 2.620 -11.845 4.771 1.00 0.00 N ATOM 341 CA SER A 20 3.211 -12.886 3.939 1.00 0.00 C ATOM 342 C SER A 20 3.882 -12.283 2.708 1.00 0.00 C ATOM 343 O SER A 20 4.904 -12.782 2.235 1.00 0.00 O ATOM 344 CB SER A 20 2.143 -13.893 3.509 1.00 0.00 C ATOM 345 OG SER A 20 2.628 -14.748 2.488 1.00 0.00 O ATOM 0 H SER A 20 1.697 -12.073 5.140 1.00 0.00 H new ATOM 0 HA SER A 20 3.969 -13.401 4.529 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.833 -14.488 4.368 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.260 -13.362 3.153 1.00 0.00 H new ATOM 0 HG SER A 20 1.927 -15.383 2.232 1.00 0.00 H new ATOM 351 N LEU A 21 3.299 -11.206 2.193 1.00 0.00 N ATOM 352 CA LEU A 21 3.838 -10.532 1.017 1.00 0.00 C ATOM 353 C LEU A 21 5.059 -9.694 1.382 1.00 0.00 C ATOM 354 O LEU A 21 5.510 -9.699 2.528 1.00 0.00 O ATOM 355 CB LEU A 21 2.769 -9.644 0.378 1.00 0.00 C ATOM 356 CG LEU A 21 1.355 -10.226 0.329 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.379 -9.208 -0.241 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.334 -11.506 -0.494 1.00 0.00 C ATOM 0 H LEU A 21 2.453 -10.781 2.572 1.00 0.00 H new ATOM 0 HA LEU A 21 4.144 -11.294 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.734 -8.701 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.080 -9.411 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 21 1.045 -10.466 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.622 -9.639 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.373 -8.318 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.685 -8.937 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.320 -11.906 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.663 -11.290 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.003 -12.239 -0.044 1.00 0.00 H new ATOM 370 N THR A 22 5.591 -8.974 0.399 1.00 0.00 N ATOM 371 CA THR A 22 6.760 -8.130 0.616 1.00 0.00 C ATOM 372 C THR A 22 6.511 -6.709 0.124 1.00 0.00 C ATOM 373 O THR A 22 5.620 -6.471 -0.691 1.00 0.00 O ATOM 374 CB THR A 22 8.002 -8.697 -0.096 1.00 0.00 C ATOM 375 OG1 THR A 22 9.166 -7.954 0.282 1.00 0.00 O ATOM 376 CG2 THR A 22 7.831 -8.647 -1.607 1.00 0.00 C ATOM 0 H THR A 22 5.231 -8.958 -0.555 1.00 0.00 H new ATOM 0 HA THR A 22 6.942 -8.113 1.691 1.00 0.00 H new ATOM 0 HB THR A 22 8.122 -9.738 0.206 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.951 -8.322 -0.174 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.721 -9.053 -2.088 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.962 -9.238 -1.895 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.687 -7.614 -1.923 1.00 0.00 H new ATOM 384 N ASN A 23 7.305 -5.767 0.623 1.00 0.00 N ATOM 385 CA ASN A 23 7.170 -4.368 0.233 1.00 0.00 C ATOM 386 C ASN A 23 6.784 -4.248 -1.239 1.00 0.00 C ATOM 387 O ASN A 23 5.847 -3.532 -1.589 1.00 0.00 O ATOM 388 CB ASN A 23 8.477 -3.617 0.492 1.00 0.00 C ATOM 389 CG ASN A 23 9.681 -4.334 -0.088 1.00 0.00 C ATOM 390 OD1 ASN A 23 10.080 -5.393 0.397 1.00 0.00 O ATOM 391 ND2 ASN A 23 10.267 -3.758 -1.131 1.00 0.00 N ATOM 0 H ASN A 23 8.048 -5.947 1.298 1.00 0.00 H new ATOM 0 HA ASN A 23 6.378 -3.923 0.835 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.410 -2.618 0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.614 -3.492 1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.082 -4.194 -1.563 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.902 -2.880 -1.500 1.00 0.00 H new ATOM 398 N ASN A 24 7.514 -4.956 -2.095 1.00 0.00 N ATOM 399 CA ASN A 24 7.249 -4.929 -3.529 1.00 0.00 C ATOM 400 C ASN A 24 5.792 -5.275 -3.819 1.00 0.00 C ATOM 401 O ASN A 24 5.111 -4.568 -4.563 1.00 0.00 O ATOM 402 CB ASN A 24 8.172 -5.907 -4.258 1.00 0.00 C ATOM 403 CG ASN A 24 9.638 -5.638 -3.977 1.00 0.00 C ATOM 404 OD1 ASN A 24 10.319 -6.448 -3.348 1.00 0.00 O ATOM 405 ND2 ASN A 24 10.129 -4.496 -4.443 1.00 0.00 N ATOM 0 H ASN A 24 8.293 -5.555 -1.821 1.00 0.00 H new ATOM 0 HA ASN A 24 7.443 -3.919 -3.890 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.928 -6.926 -3.957 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.992 -5.840 -5.331 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.109 -4.260 -4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.527 -3.855 -4.959 1.00 0.00 H new ATOM 412 N ASP A 25 5.319 -6.366 -3.227 1.00 0.00 N ATOM 413 CA ASP A 25 3.942 -6.805 -3.420 1.00 0.00 C ATOM 414 C ASP A 25 2.965 -5.664 -3.154 1.00 0.00 C ATOM 415 O ASP A 25 2.296 -5.180 -4.068 1.00 0.00 O ATOM 416 CB ASP A 25 3.628 -7.987 -2.501 1.00 0.00 C ATOM 417 CG ASP A 25 4.181 -9.295 -3.030 1.00 0.00 C ATOM 418 OD1 ASP A 25 5.377 -9.333 -3.388 1.00 0.00 O ATOM 419 OD2 ASP A 25 3.418 -10.282 -3.086 1.00 0.00 O ATOM 0 H ASP A 25 5.869 -6.963 -2.609 1.00 0.00 H new ATOM 0 HA ASP A 25 3.829 -7.121 -4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.043 -7.794 -1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.548 -8.074 -2.382 1.00 0.00 H new ATOM 424 N LEU A 26 2.888 -5.239 -1.898 1.00 0.00 N ATOM 425 CA LEU A 26 1.991 -4.155 -1.510 1.00 0.00 C ATOM 426 C LEU A 26 2.056 -3.010 -2.516 1.00 0.00 C ATOM 427 O LEU A 26 1.027 -2.520 -2.981 1.00 0.00 O ATOM 428 CB LEU A 26 2.351 -3.644 -0.114 1.00 0.00 C ATOM 429 CG LEU A 26 2.321 -4.681 1.009 1.00 0.00 C ATOM 430 CD1 LEU A 26 3.030 -4.151 2.245 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.886 -5.067 1.340 1.00 0.00 C ATOM 0 H LEU A 26 3.436 -5.628 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 26 0.973 -4.545 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.350 -3.210 -0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.664 -2.838 0.144 1.00 0.00 H new ATOM 0 HG LEU A 26 2.847 -5.572 0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.998 -4.903 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.068 -3.925 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.533 -3.244 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.884 -5.806 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.336 -4.182 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.410 -5.490 0.455 1.00 0.00 H new ATOM 443 N TYR A 27 3.271 -2.589 -2.848 1.00 0.00 N ATOM 444 CA TYR A 27 3.470 -1.502 -3.799 1.00 0.00 C ATOM 445 C TYR A 27 2.638 -1.720 -5.059 1.00 0.00 C ATOM 446 O TYR A 27 1.947 -0.814 -5.524 1.00 0.00 O ATOM 447 CB TYR A 27 4.951 -1.382 -4.166 1.00 0.00 C ATOM 448 CG TYR A 27 5.228 -0.346 -5.232 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.771 -0.520 -6.533 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.948 0.806 -4.939 1.00 0.00 C ATOM 451 CE1 TYR A 27 5.022 0.423 -7.510 1.00 0.00 C ATOM 452 CE2 TYR A 27 6.203 1.755 -5.910 1.00 0.00 C ATOM 453 CZ TYR A 27 5.738 1.559 -7.194 1.00 0.00 C ATOM 454 OH TYR A 27 5.991 2.501 -8.164 1.00 0.00 O ATOM 0 H TYR A 27 4.133 -2.984 -2.473 1.00 0.00 H new ATOM 0 HA TYR A 27 3.143 -0.576 -3.326 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.519 -1.131 -3.271 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.311 -2.351 -4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.210 -1.408 -6.784 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.314 0.962 -3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.660 0.272 -8.516 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.763 2.645 -5.665 1.00 0.00 H new ATOM 0 HH TYR A 27 5.613 3.363 -7.890 1.00 0.00 H new ATOM 464 N ARG A 28 2.711 -2.929 -5.605 1.00 0.00 N ATOM 465 CA ARG A 28 1.965 -3.268 -6.811 1.00 0.00 C ATOM 466 C ARG A 28 0.482 -3.446 -6.502 1.00 0.00 C ATOM 467 O ARG A 28 -0.369 -2.767 -7.079 1.00 0.00 O ATOM 468 CB ARG A 28 2.523 -4.547 -7.439 1.00 0.00 C ATOM 469 CG ARG A 28 3.799 -4.329 -8.234 1.00 0.00 C ATOM 470 CD ARG A 28 4.529 -5.639 -8.488 1.00 0.00 C ATOM 471 NE ARG A 28 4.883 -6.317 -7.244 1.00 0.00 N ATOM 472 CZ ARG A 28 5.606 -7.431 -7.195 1.00 0.00 C ATOM 473 NH1 ARG A 28 6.049 -7.988 -8.314 1.00 0.00 N ATOM 474 NH2 ARG A 28 5.887 -7.989 -6.024 1.00 0.00 N ATOM 0 H ARG A 28 3.279 -3.690 -5.232 1.00 0.00 H new ATOM 0 HA ARG A 28 2.075 -2.446 -7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.716 -5.274 -6.650 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.767 -4.980 -8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.559 -3.855 -9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.454 -3.646 -7.693 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.900 -6.294 -9.092 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.433 -5.445 -9.065 1.00 0.00 H new ATOM 0 HE ARG A 28 4.558 -5.914 -6.365 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.835 -7.561 -9.215 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.604 -8.843 -8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.548 -7.563 -5.162 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.442 -8.844 -5.987 1.00 0.00 H new ATOM 488 N ILE A 29 0.179 -4.362 -5.589 1.00 0.00 N ATOM 489 CA ILE A 29 -1.201 -4.628 -5.203 1.00 0.00 C ATOM 490 C ILE A 29 -2.000 -3.334 -5.092 1.00 0.00 C ATOM 491 O ILE A 29 -3.032 -3.171 -5.744 1.00 0.00 O ATOM 492 CB ILE A 29 -1.276 -5.381 -3.861 1.00 0.00 C ATOM 493 CG1 ILE A 29 -0.796 -6.824 -4.033 1.00 0.00 C ATOM 494 CG2 ILE A 29 -2.695 -5.351 -3.315 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.490 -7.519 -2.725 1.00 0.00 C ATOM 0 H ILE A 29 0.871 -4.933 -5.103 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.632 -5.253 -5.985 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.622 -4.883 -3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.559 -7.391 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.099 -6.829 -4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.731 -5.887 -2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.003 -4.317 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.369 -5.827 -4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.155 -8.537 -2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.295 -6.975 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.388 -7.546 -2.108 1.00 0.00 H new ATOM 507 N PHE A 30 -1.516 -2.416 -4.263 1.00 0.00 N ATOM 508 CA PHE A 30 -2.184 -1.135 -4.066 1.00 0.00 C ATOM 509 C PHE A 30 -2.165 -0.309 -5.349 1.00 0.00 C ATOM 510 O PHE A 30 -2.992 0.582 -5.539 1.00 0.00 O ATOM 511 CB PHE A 30 -1.514 -0.354 -2.934 1.00 0.00 C ATOM 512 CG PHE A 30 -1.883 -0.849 -1.565 1.00 0.00 C ATOM 513 CD1 PHE A 30 -1.418 -2.072 -1.108 1.00 0.00 C ATOM 514 CD2 PHE A 30 -2.694 -0.092 -0.735 1.00 0.00 C ATOM 515 CE1 PHE A 30 -1.755 -2.531 0.152 1.00 0.00 C ATOM 516 CE2 PHE A 30 -3.034 -0.546 0.526 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.565 -1.767 0.969 1.00 0.00 C ATOM 0 H PHE A 30 -0.663 -2.535 -3.716 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.221 -1.333 -3.797 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.432 -0.413 -3.054 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.787 0.698 -3.017 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.785 -2.674 -1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.065 0.863 -1.077 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.385 -3.485 0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.666 0.054 1.164 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.831 -2.124 1.953 1.00 0.00 H new ATOM 527 N SER A 31 -1.213 -0.612 -6.227 1.00 0.00 N ATOM 528 CA SER A 31 -1.082 0.105 -7.490 1.00 0.00 C ATOM 529 C SER A 31 -2.402 0.105 -8.254 1.00 0.00 C ATOM 530 O SER A 31 -2.624 0.937 -9.134 1.00 0.00 O ATOM 531 CB SER A 31 0.016 -0.528 -8.347 1.00 0.00 C ATOM 532 OG SER A 31 0.631 0.438 -9.182 1.00 0.00 O ATOM 0 H SER A 31 -0.522 -1.349 -6.087 1.00 0.00 H new ATOM 0 HA SER A 31 -0.811 1.137 -7.268 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.766 -0.987 -7.702 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.409 -1.324 -8.958 1.00 0.00 H new ATOM 0 HG SER A 31 1.330 0.009 -9.718 1.00 0.00 H new ATOM 538 N LYS A 32 -3.278 -0.833 -7.910 1.00 0.00 N ATOM 539 CA LYS A 32 -4.578 -0.943 -8.561 1.00 0.00 C ATOM 540 C LYS A 32 -5.402 0.322 -8.346 1.00 0.00 C ATOM 541 O LYS A 32 -6.328 0.608 -9.105 1.00 0.00 O ATOM 542 CB LYS A 32 -5.339 -2.157 -8.025 1.00 0.00 C ATOM 543 CG LYS A 32 -5.688 -2.054 -6.550 1.00 0.00 C ATOM 544 CD LYS A 32 -6.348 -3.326 -6.043 1.00 0.00 C ATOM 545 CE LYS A 32 -5.995 -3.594 -4.588 1.00 0.00 C ATOM 546 NZ LYS A 32 -6.427 -4.952 -4.154 1.00 0.00 N ATOM 0 H LYS A 32 -3.111 -1.529 -7.183 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.411 -1.070 -9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.257 -2.282 -8.599 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.738 -3.052 -8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.784 -1.858 -5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.357 -1.208 -6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.430 -3.242 -6.147 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.033 -4.170 -6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.918 -3.494 -4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.468 -2.843 -3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.169 -5.096 -3.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.458 -5.039 -4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.957 -5.670 -4.741 1.00 0.00 H new ATOM 560 N TYR A 33 -5.059 1.077 -7.307 1.00 0.00 N ATOM 561 CA TYR A 33 -5.769 2.311 -6.992 1.00 0.00 C ATOM 562 C TYR A 33 -5.000 3.527 -7.501 1.00 0.00 C ATOM 563 O TYR A 33 -5.518 4.318 -8.287 1.00 0.00 O ATOM 564 CB TYR A 33 -5.986 2.427 -5.482 1.00 0.00 C ATOM 565 CG TYR A 33 -6.681 1.228 -4.877 1.00 0.00 C ATOM 566 CD1 TYR A 33 -7.944 0.842 -5.306 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.072 0.481 -3.876 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.582 -0.252 -4.755 1.00 0.00 C ATOM 569 CE2 TYR A 33 -6.702 -0.616 -3.320 1.00 0.00 C ATOM 570 CZ TYR A 33 -7.957 -0.978 -3.762 1.00 0.00 C ATOM 571 OH TYR A 33 -8.589 -2.069 -3.212 1.00 0.00 O ATOM 0 H TYR A 33 -4.294 0.856 -6.669 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.738 2.281 -7.491 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.021 2.562 -4.994 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.575 3.321 -5.275 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.436 1.407 -6.084 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.090 0.763 -3.527 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.565 -0.538 -5.100 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.214 -1.187 -2.544 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.628 -2.792 -3.872 1.00 0.00 H new ATOM 581 N GLY A 34 -3.758 3.666 -7.046 1.00 0.00 N ATOM 582 CA GLY A 34 -2.936 4.787 -7.466 1.00 0.00 C ATOM 583 C GLY A 34 -1.456 4.464 -7.433 1.00 0.00 C ATOM 584 O GLY A 34 -1.010 3.637 -6.637 1.00 0.00 O ATOM 0 H GLY A 34 -3.307 3.023 -6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.218 5.082 -8.477 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.133 5.641 -6.818 1.00 0.00 H new ATOM 588 N LYS A 35 -0.690 5.116 -8.301 1.00 0.00 N ATOM 589 CA LYS A 35 0.750 4.894 -8.370 1.00 0.00 C ATOM 590 C LYS A 35 1.379 4.974 -6.983 1.00 0.00 C ATOM 591 O LYS A 35 1.112 5.904 -6.221 1.00 0.00 O ATOM 592 CB LYS A 35 1.401 5.923 -9.297 1.00 0.00 C ATOM 593 CG LYS A 35 2.880 5.675 -9.537 1.00 0.00 C ATOM 594 CD LYS A 35 3.103 4.526 -10.506 1.00 0.00 C ATOM 595 CE LYS A 35 4.559 4.433 -10.935 1.00 0.00 C ATOM 596 NZ LYS A 35 4.825 3.201 -11.728 1.00 0.00 N ATOM 0 H LYS A 35 -1.043 5.803 -8.967 1.00 0.00 H new ATOM 0 HA LYS A 35 0.920 3.894 -8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.880 5.918 -10.255 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.273 6.917 -8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.342 6.580 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.371 5.454 -8.589 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.800 3.590 -10.037 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.472 4.662 -11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.820 5.310 -11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.199 4.443 -10.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.828 3.174 -12.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.600 2.363 -11.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.233 3.204 -12.583 1.00 0.00 H new ATOM 610 N VAL A 36 2.217 3.993 -6.661 1.00 0.00 N ATOM 611 CA VAL A 36 2.887 3.954 -5.367 1.00 0.00 C ATOM 612 C VAL A 36 4.333 4.423 -5.481 1.00 0.00 C ATOM 613 O VAL A 36 5.017 4.125 -6.461 1.00 0.00 O ATOM 614 CB VAL A 36 2.864 2.536 -4.766 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.600 2.508 -3.435 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.432 2.049 -4.603 1.00 0.00 C ATOM 0 H VAL A 36 2.448 3.215 -7.279 1.00 0.00 H new ATOM 0 HA VAL A 36 2.341 4.629 -4.708 1.00 0.00 H new ATOM 0 HB VAL A 36 3.377 1.862 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.573 1.498 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.636 2.811 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.119 3.195 -2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.435 1.046 -4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.892 2.723 -3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.942 2.029 -5.576 1.00 0.00 H new ATOM 626 N VAL A 37 4.793 5.157 -4.474 1.00 0.00 N ATOM 627 CA VAL A 37 6.159 5.666 -4.460 1.00 0.00 C ATOM 628 C VAL A 37 7.005 4.942 -3.418 1.00 0.00 C ATOM 629 O VAL A 37 8.131 4.529 -3.694 1.00 0.00 O ATOM 630 CB VAL A 37 6.192 7.179 -4.171 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.626 7.681 -4.113 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.394 7.938 -5.220 1.00 0.00 C ATOM 0 H VAL A 37 4.239 5.413 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 37 6.574 5.484 -5.451 1.00 0.00 H new ATOM 0 HB VAL A 37 5.732 7.356 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.629 8.752 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.163 7.159 -3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.116 7.493 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.428 9.005 -5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.823 7.756 -6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.359 7.597 -5.206 1.00 0.00 H new ATOM 642 N LYS A 38 6.454 4.791 -2.218 1.00 0.00 N ATOM 643 CA LYS A 38 7.156 4.115 -1.134 1.00 0.00 C ATOM 644 C LYS A 38 6.203 3.231 -0.337 1.00 0.00 C ATOM 645 O LYS A 38 5.015 3.533 -0.214 1.00 0.00 O ATOM 646 CB LYS A 38 7.812 5.141 -0.207 1.00 0.00 C ATOM 647 CG LYS A 38 9.036 5.810 -0.809 1.00 0.00 C ATOM 648 CD LYS A 38 9.930 6.408 0.264 1.00 0.00 C ATOM 649 CE LYS A 38 10.741 5.335 0.976 1.00 0.00 C ATOM 650 NZ LYS A 38 11.978 4.986 0.224 1.00 0.00 N ATOM 0 H LYS A 38 5.523 5.128 -1.972 1.00 0.00 H new ATOM 0 HA LYS A 38 7.929 3.483 -1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.080 5.906 0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.098 4.648 0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.601 5.081 -1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.721 6.593 -1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.604 7.136 -0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.320 6.946 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.008 5.684 1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.129 4.442 1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.503 4.252 0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.722 4.629 -0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.574 5.832 0.124 1.00 0.00 H new ATOM 664 N VAL A 39 6.730 2.138 0.206 1.00 0.00 N ATOM 665 CA VAL A 39 5.926 1.211 0.993 1.00 0.00 C ATOM 666 C VAL A 39 6.474 1.075 2.410 1.00 0.00 C ATOM 667 O VAL A 39 7.532 0.482 2.624 1.00 0.00 O ATOM 668 CB VAL A 39 5.874 -0.183 0.339 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.067 -1.145 1.197 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.293 -0.090 -1.064 1.00 0.00 C ATOM 0 H VAL A 39 7.711 1.873 0.115 1.00 0.00 H new ATOM 0 HA VAL A 39 4.918 1.623 1.034 1.00 0.00 H new ATOM 0 HB VAL A 39 6.891 -0.569 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.041 -2.124 0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.530 -1.233 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.050 -0.768 1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.263 -1.083 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.283 0.316 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.916 0.564 -1.673 1.00 0.00 H new ATOM 680 N THR A 40 5.747 1.628 3.375 1.00 0.00 N ATOM 681 CA THR A 40 6.160 1.570 4.772 1.00 0.00 C ATOM 682 C THR A 40 5.411 0.474 5.521 1.00 0.00 C ATOM 683 O THR A 40 4.257 0.176 5.213 1.00 0.00 O ATOM 684 CB THR A 40 5.925 2.916 5.484 1.00 0.00 C ATOM 685 OG1 THR A 40 6.796 3.915 4.942 1.00 0.00 O ATOM 686 CG2 THR A 40 6.165 2.785 6.980 1.00 0.00 C ATOM 0 H THR A 40 4.869 2.121 3.215 1.00 0.00 H new ATOM 0 HA THR A 40 7.227 1.346 4.777 1.00 0.00 H new ATOM 0 HB THR A 40 4.888 3.212 5.323 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.639 4.768 5.398 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.993 3.748 7.462 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.481 2.044 7.395 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.193 2.469 7.157 1.00 0.00 H new ATOM 694 N ILE A 41 6.074 -0.121 6.507 1.00 0.00 N ATOM 695 CA ILE A 41 5.469 -1.183 7.301 1.00 0.00 C ATOM 696 C ILE A 41 5.877 -1.074 8.766 1.00 0.00 C ATOM 697 O ILE A 41 7.030 -0.782 9.080 1.00 0.00 O ATOM 698 CB ILE A 41 5.862 -2.575 6.773 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.424 -2.735 5.316 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.247 -3.664 7.639 1.00 0.00 C ATOM 701 CD1 ILE A 41 5.994 -3.964 4.644 1.00 0.00 C ATOM 0 H ILE A 41 7.030 0.114 6.775 1.00 0.00 H new ATOM 0 HA ILE A 41 4.389 -1.063 7.217 1.00 0.00 H new ATOM 0 HB ILE A 41 6.947 -2.671 6.819 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.336 -2.781 5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.727 -1.851 4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.534 -4.642 7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.604 -3.559 8.663 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.161 -3.572 7.622 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.641 -4.012 3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.083 -3.911 4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.670 -4.856 5.181 1.00 0.00 H new ATOM 713 N MET A 42 4.922 -1.312 9.660 1.00 0.00 N ATOM 714 CA MET A 42 5.183 -1.243 11.093 1.00 0.00 C ATOM 715 C MET A 42 5.863 -2.518 11.584 1.00 0.00 C ATOM 716 O MET A 42 5.787 -3.563 10.937 1.00 0.00 O ATOM 717 CB MET A 42 3.879 -1.020 11.860 1.00 0.00 C ATOM 718 CG MET A 42 3.042 0.127 11.316 1.00 0.00 C ATOM 719 SD MET A 42 4.049 1.507 10.737 1.00 0.00 S ATOM 720 CE MET A 42 4.140 2.505 12.221 1.00 0.00 C ATOM 0 H MET A 42 3.961 -1.554 9.417 1.00 0.00 H new ATOM 0 HA MET A 42 5.852 -0.402 11.275 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.289 -1.936 11.830 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.112 -0.825 12.907 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.424 -0.237 10.495 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.364 0.478 12.094 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.687 3.424 12.009 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.132 2.752 12.556 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.656 1.948 13.003 1.00 0.00 H new ATOM 730 N LYS A 43 6.528 -2.425 12.730 1.00 0.00 N ATOM 731 CA LYS A 43 7.221 -3.570 13.309 1.00 0.00 C ATOM 732 C LYS A 43 7.178 -3.518 14.832 1.00 0.00 C ATOM 733 O LYS A 43 7.742 -2.614 15.448 1.00 0.00 O ATOM 734 CB LYS A 43 8.674 -3.608 12.829 1.00 0.00 C ATOM 735 CG LYS A 43 8.842 -4.211 11.445 1.00 0.00 C ATOM 736 CD LYS A 43 8.761 -3.150 10.361 1.00 0.00 C ATOM 737 CE LYS A 43 9.578 -3.538 9.139 1.00 0.00 C ATOM 738 NZ LYS A 43 11.040 -3.532 9.424 1.00 0.00 N ATOM 0 H LYS A 43 6.602 -1.567 13.277 1.00 0.00 H new ATOM 0 HA LYS A 43 6.712 -4.476 12.980 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.073 -2.594 12.825 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.268 -4.182 13.541 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.803 -4.722 11.384 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.070 -4.962 11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.720 -3.002 10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.121 -2.199 10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.278 -4.530 8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.364 -2.846 8.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.566 -3.395 8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.262 -2.758 10.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.314 -4.439 9.852 1.00 0.00 H new ATOM 752 N ASP A 44 6.508 -4.495 15.434 1.00 0.00 N ATOM 753 CA ASP A 44 6.395 -4.562 16.886 1.00 0.00 C ATOM 754 C ASP A 44 7.774 -4.587 17.539 1.00 0.00 C ATOM 755 O ASP A 44 8.796 -4.629 16.854 1.00 0.00 O ATOM 756 CB ASP A 44 5.599 -5.801 17.300 1.00 0.00 C ATOM 757 CG ASP A 44 4.890 -5.617 18.628 1.00 0.00 C ATOM 758 OD1 ASP A 44 3.833 -4.953 18.648 1.00 0.00 O ATOM 759 OD2 ASP A 44 5.393 -6.136 19.646 1.00 0.00 O ATOM 0 H ASP A 44 6.035 -5.251 14.939 1.00 0.00 H new ATOM 0 HA ASP A 44 5.868 -3.670 17.226 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.865 -6.032 16.528 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.272 -6.656 17.366 1.00 0.00 H new ATOM 764 N LYS A 45 7.795 -4.561 18.867 1.00 0.00 N ATOM 765 CA LYS A 45 9.047 -4.581 19.613 1.00 0.00 C ATOM 766 C LYS A 45 9.296 -5.957 20.221 1.00 0.00 C ATOM 767 O LYS A 45 10.406 -6.485 20.151 1.00 0.00 O ATOM 768 CB LYS A 45 9.024 -3.521 20.717 1.00 0.00 C ATOM 769 CG LYS A 45 10.399 -2.987 21.077 1.00 0.00 C ATOM 770 CD LYS A 45 10.460 -2.534 22.526 1.00 0.00 C ATOM 771 CE LYS A 45 11.719 -1.728 22.806 1.00 0.00 C ATOM 772 NZ LYS A 45 12.026 -1.666 24.262 1.00 0.00 N ATOM 0 H LYS A 45 6.958 -4.526 19.449 1.00 0.00 H new ATOM 0 HA LYS A 45 9.858 -4.357 18.919 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.393 -2.691 20.399 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.564 -3.947 21.609 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.147 -3.761 20.905 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.648 -2.151 20.423 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.582 -1.931 22.757 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.431 -3.404 23.182 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.561 -2.174 22.276 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.597 -0.717 22.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.891 -1.108 24.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.234 -1.218 24.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.168 -2.629 24.628 1.00 0.00 H new ATOM 786 N ASP A 46 8.258 -6.533 20.816 1.00 0.00 N ATOM 787 CA ASP A 46 8.364 -7.850 21.434 1.00 0.00 C ATOM 788 C ASP A 46 8.282 -8.952 20.382 1.00 0.00 C ATOM 789 O ASP A 46 9.188 -9.778 20.260 1.00 0.00 O ATOM 790 CB ASP A 46 7.260 -8.039 22.475 1.00 0.00 C ATOM 791 CG ASP A 46 7.545 -7.293 23.764 1.00 0.00 C ATOM 792 OD1 ASP A 46 7.338 -6.061 23.796 1.00 0.00 O ATOM 793 OD2 ASP A 46 7.975 -7.940 24.741 1.00 0.00 O ATOM 0 H ASP A 46 7.333 -6.109 20.884 1.00 0.00 H new ATOM 0 HA ASP A 46 9.333 -7.915 21.928 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.312 -7.695 22.061 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.146 -9.101 22.691 1.00 0.00 H new ATOM 798 N THR A 47 7.190 -8.960 19.624 1.00 0.00 N ATOM 799 CA THR A 47 6.989 -9.961 18.585 1.00 0.00 C ATOM 800 C THR A 47 7.818 -9.642 17.346 1.00 0.00 C ATOM 801 O THR A 47 8.178 -10.537 16.581 1.00 0.00 O ATOM 802 CB THR A 47 5.505 -10.063 18.183 1.00 0.00 C ATOM 803 OG1 THR A 47 4.982 -8.760 17.903 1.00 0.00 O ATOM 804 CG2 THR A 47 4.689 -10.716 19.289 1.00 0.00 C ATOM 0 H THR A 47 6.431 -8.284 19.711 1.00 0.00 H new ATOM 0 HA THR A 47 7.313 -10.916 18.999 1.00 0.00 H new ATOM 0 HB THR A 47 5.435 -10.681 17.288 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.039 -8.834 17.647 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.645 -10.777 18.983 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.071 -11.719 19.479 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.766 -10.120 20.198 1.00 0.00 H new ATOM 812 N ARG A 48 8.117 -8.361 17.154 1.00 0.00 N ATOM 813 CA ARG A 48 8.904 -7.924 16.007 1.00 0.00 C ATOM 814 C ARG A 48 8.253 -8.369 14.700 1.00 0.00 C ATOM 815 O ARG A 48 8.922 -8.888 13.806 1.00 0.00 O ATOM 816 CB ARG A 48 10.326 -8.480 16.095 1.00 0.00 C ATOM 817 CG ARG A 48 11.291 -7.568 16.835 1.00 0.00 C ATOM 818 CD ARG A 48 12.731 -7.824 16.418 1.00 0.00 C ATOM 819 NE ARG A 48 13.303 -8.978 17.106 1.00 0.00 N ATOM 820 CZ ARG A 48 14.372 -9.637 16.672 1.00 0.00 C ATOM 821 NH1 ARG A 48 14.981 -9.258 15.557 1.00 0.00 N ATOM 822 NH2 ARG A 48 14.834 -10.677 17.354 1.00 0.00 N ATOM 0 H ARG A 48 7.826 -7.608 17.778 1.00 0.00 H new ATOM 0 HA ARG A 48 8.946 -6.835 16.021 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.298 -9.448 16.595 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.703 -8.652 15.087 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.034 -6.527 16.638 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.189 -7.723 17.909 1.00 0.00 H new ATOM 0 HD2 ARG A 48 12.773 -7.987 15.341 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.333 -6.940 16.631 1.00 0.00 H new ATOM 0 HE ARG A 48 12.858 -9.296 17.967 1.00 0.00 H new ATOM 0 HH11 ARG A 48 14.629 -8.459 15.030 1.00 0.00 H new ATOM 0 HH12 ARG A 48 15.801 -9.766 15.226 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.368 -10.971 18.212 1.00 0.00 H new ATOM 0 HH22 ARG A 48 15.655 -11.182 17.020 1.00 0.00 H new ATOM 836 N LYS A 49 6.944 -8.163 14.597 1.00 0.00 N ATOM 837 CA LYS A 49 6.202 -8.542 13.400 1.00 0.00 C ATOM 838 C LYS A 49 5.400 -7.361 12.862 1.00 0.00 C ATOM 839 O LYS A 49 5.155 -6.388 13.575 1.00 0.00 O ATOM 840 CB LYS A 49 5.265 -9.712 13.706 1.00 0.00 C ATOM 841 CG LYS A 49 5.981 -10.945 14.229 1.00 0.00 C ATOM 842 CD LYS A 49 6.940 -11.513 13.197 1.00 0.00 C ATOM 843 CE LYS A 49 7.282 -12.965 13.494 1.00 0.00 C ATOM 844 NZ LYS A 49 8.131 -13.098 14.710 1.00 0.00 N ATOM 0 H LYS A 49 6.375 -7.736 15.328 1.00 0.00 H new ATOM 0 HA LYS A 49 6.919 -8.849 12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.526 -9.392 14.441 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.720 -9.976 12.800 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.530 -10.691 15.136 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.248 -11.704 14.502 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.495 -11.439 12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.854 -10.919 13.182 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.362 -13.534 13.629 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.802 -13.398 12.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.107 -13.324 14.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.121 -12.203 15.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.759 -13.860 15.312 1.00 0.00 H new ATOM 858 N SER A 50 4.992 -7.455 11.600 1.00 0.00 N ATOM 859 CA SER A 50 4.219 -6.394 10.965 1.00 0.00 C ATOM 860 C SER A 50 2.815 -6.316 11.558 1.00 0.00 C ATOM 861 O SER A 50 2.296 -5.229 11.814 1.00 0.00 O ATOM 862 CB SER A 50 4.136 -6.627 9.456 1.00 0.00 C ATOM 863 OG SER A 50 3.189 -5.760 8.857 1.00 0.00 O ATOM 0 H SER A 50 5.184 -8.255 10.997 1.00 0.00 H new ATOM 0 HA SER A 50 4.726 -5.447 11.151 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.116 -6.467 9.006 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.860 -7.663 9.260 1.00 0.00 H new ATOM 0 HG SER A 50 3.156 -5.928 7.892 1.00 0.00 H new ATOM 869 N LYS A 51 2.205 -7.477 11.772 1.00 0.00 N ATOM 870 CA LYS A 51 0.862 -7.543 12.335 1.00 0.00 C ATOM 871 C LYS A 51 -0.157 -6.918 11.387 1.00 0.00 C ATOM 872 O LYS A 51 -1.216 -6.461 11.812 1.00 0.00 O ATOM 873 CB LYS A 51 0.818 -6.831 13.689 1.00 0.00 C ATOM 874 CG LYS A 51 1.811 -7.382 14.698 1.00 0.00 C ATOM 875 CD LYS A 51 1.579 -6.799 16.082 1.00 0.00 C ATOM 876 CE LYS A 51 0.386 -7.448 16.767 1.00 0.00 C ATOM 877 NZ LYS A 51 0.695 -8.830 17.227 1.00 0.00 N ATOM 0 H LYS A 51 2.620 -8.385 11.564 1.00 0.00 H new ATOM 0 HA LYS A 51 0.606 -8.593 12.475 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.016 -5.770 13.539 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.188 -6.912 14.100 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.724 -8.468 14.740 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.826 -7.156 14.372 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.471 -6.940 16.692 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.414 -5.724 16.002 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.082 -6.841 17.620 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.458 -7.475 16.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.069 -9.169 17.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.778 -9.460 16.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.592 -8.828 17.753 1.00 0.00 H new ATOM 891 N GLY A 52 0.172 -6.904 10.098 1.00 0.00 N ATOM 892 CA GLY A 52 -0.726 -6.335 9.110 1.00 0.00 C ATOM 893 C GLY A 52 -0.641 -4.822 9.053 1.00 0.00 C ATOM 894 O GLY A 52 -0.842 -4.222 7.997 1.00 0.00 O ATOM 0 H GLY A 52 1.044 -7.276 9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.489 -6.746 8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.750 -6.630 9.341 1.00 0.00 H new ATOM 898 N VAL A 53 -0.342 -4.204 10.191 1.00 0.00 N ATOM 899 CA VAL A 53 -0.231 -2.752 10.266 1.00 0.00 C ATOM 900 C VAL A 53 0.884 -2.239 9.362 1.00 0.00 C ATOM 901 O VAL A 53 2.066 -2.415 9.657 1.00 0.00 O ATOM 902 CB VAL A 53 0.036 -2.284 11.709 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.309 -0.811 11.865 1.00 0.00 C ATOM 904 CG2 VAL A 53 -0.750 -3.132 12.698 1.00 0.00 C ATOM 0 H VAL A 53 -0.172 -4.686 11.074 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.184 -2.343 9.930 1.00 0.00 H new ATOM 0 HB VAL A 53 1.098 -2.408 11.922 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.114 -0.498 12.891 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.302 -0.220 11.183 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.363 -0.658 11.633 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.549 -2.788 13.713 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.816 -3.042 12.488 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.449 -4.175 12.603 1.00 0.00 H new ATOM 914 N ALA A 54 0.500 -1.603 8.261 1.00 0.00 N ATOM 915 CA ALA A 54 1.467 -1.061 7.315 1.00 0.00 C ATOM 916 C ALA A 54 0.984 0.263 6.732 1.00 0.00 C ATOM 917 O ALA A 54 -0.206 0.577 6.782 1.00 0.00 O ATOM 918 CB ALA A 54 1.735 -2.063 6.201 1.00 0.00 C ATOM 0 H ALA A 54 -0.475 -1.450 8.002 1.00 0.00 H new ATOM 0 HA ALA A 54 2.397 -0.874 7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.459 -1.645 5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.133 -2.984 6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.805 -2.279 5.675 1.00 0.00 H new ATOM 924 N PHE A 55 1.913 1.036 6.181 1.00 0.00 N ATOM 925 CA PHE A 55 1.582 2.327 5.590 1.00 0.00 C ATOM 926 C PHE A 55 1.925 2.350 4.104 1.00 0.00 C ATOM 927 O PHE A 55 3.035 1.995 3.707 1.00 0.00 O ATOM 928 CB PHE A 55 2.327 3.450 6.315 1.00 0.00 C ATOM 929 CG PHE A 55 1.671 3.875 7.597 1.00 0.00 C ATOM 930 CD1 PHE A 55 0.440 4.512 7.583 1.00 0.00 C ATOM 931 CD2 PHE A 55 2.284 3.639 8.817 1.00 0.00 C ATOM 932 CE1 PHE A 55 -0.165 4.905 8.761 1.00 0.00 C ATOM 933 CE2 PHE A 55 1.683 4.029 9.998 1.00 0.00 C ATOM 934 CZ PHE A 55 0.456 4.662 9.971 1.00 0.00 C ATOM 0 H PHE A 55 2.902 0.791 6.131 1.00 0.00 H new ATOM 0 HA PHE A 55 0.509 2.483 5.699 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.344 3.122 6.528 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.403 4.312 5.652 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.052 4.703 6.641 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.243 3.144 8.845 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.123 5.402 8.736 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.172 3.839 10.942 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.017 4.966 10.893 1.00 0.00 H new ATOM 944 N ILE A 56 0.965 2.769 3.287 1.00 0.00 N ATOM 945 CA ILE A 56 1.165 2.839 1.845 1.00 0.00 C ATOM 946 C ILE A 56 1.226 4.286 1.368 1.00 0.00 C ATOM 947 O ILE A 56 0.247 5.026 1.467 1.00 0.00 O ATOM 948 CB ILE A 56 0.044 2.107 1.085 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.014 0.628 1.476 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.234 2.259 -0.417 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.322 -0.090 1.226 1.00 0.00 C ATOM 0 H ILE A 56 0.040 3.065 3.599 1.00 0.00 H new ATOM 0 HA ILE A 56 2.116 2.349 1.634 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.911 2.555 1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.240 0.545 2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.778 0.129 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.567 1.736 -0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.210 3.316 -0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.195 1.834 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.227 -1.134 1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.568 -0.039 0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.114 0.384 1.806 1.00 0.00 H new ATOM 963 N LEU A 57 2.383 4.683 0.848 1.00 0.00 N ATOM 964 CA LEU A 57 2.572 6.042 0.353 1.00 0.00 C ATOM 965 C LEU A 57 2.175 6.146 -1.117 1.00 0.00 C ATOM 966 O LEU A 57 2.722 5.446 -1.969 1.00 0.00 O ATOM 967 CB LEU A 57 4.030 6.472 0.531 1.00 0.00 C ATOM 968 CG LEU A 57 4.292 7.978 0.513 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.676 8.285 1.064 1.00 0.00 C ATOM 970 CD2 LEU A 57 4.142 8.530 -0.897 1.00 0.00 C ATOM 0 H LEU A 57 3.203 4.083 0.758 1.00 0.00 H new ATOM 0 HA LEU A 57 1.930 6.706 0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.393 6.072 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.623 6.011 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 57 3.553 8.463 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.845 9.362 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.747 7.926 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.429 7.788 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.332 9.603 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.857 8.039 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.130 8.343 -1.255 1.00 0.00 H new ATOM 982 N PHE A 58 1.222 7.026 -1.405 1.00 0.00 N ATOM 983 CA PHE A 58 0.753 7.223 -2.772 1.00 0.00 C ATOM 984 C PHE A 58 1.372 8.476 -3.384 1.00 0.00 C ATOM 985 O PHE A 58 1.766 9.400 -2.671 1.00 0.00 O ATOM 986 CB PHE A 58 -0.773 7.330 -2.799 1.00 0.00 C ATOM 987 CG PHE A 58 -1.469 6.003 -2.697 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.660 5.398 -1.465 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.932 5.360 -3.834 1.00 0.00 C ATOM 990 CE1 PHE A 58 -2.299 4.176 -1.370 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.572 4.138 -3.744 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.756 3.546 -2.510 1.00 0.00 C ATOM 0 H PHE A 58 0.760 7.614 -0.711 1.00 0.00 H new ATOM 0 HA PHE A 58 1.061 6.361 -3.363 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.099 7.966 -1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.078 7.821 -3.723 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.306 5.887 -0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.791 5.819 -4.801 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.441 3.714 -0.404 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.928 3.647 -4.638 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.257 2.592 -2.437 1.00 0.00 H new ATOM 1002 N LEU A 59 1.456 8.500 -4.710 1.00 0.00 N ATOM 1003 CA LEU A 59 2.028 9.639 -5.420 1.00 0.00 C ATOM 1004 C LEU A 59 1.152 10.877 -5.259 1.00 0.00 C ATOM 1005 O LEU A 59 1.654 11.989 -5.101 1.00 0.00 O ATOM 1006 CB LEU A 59 2.196 9.307 -6.904 1.00 0.00 C ATOM 1007 CG LEU A 59 2.920 10.357 -7.748 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.399 10.395 -7.398 1.00 0.00 C ATOM 1009 CD2 LEU A 59 2.728 10.073 -9.231 1.00 0.00 C ATOM 0 H LEU A 59 1.135 7.744 -5.315 1.00 0.00 H new ATOM 0 HA LEU A 59 3.006 9.851 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.740 8.366 -6.986 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.208 9.143 -7.333 1.00 0.00 H new ATOM 0 HG LEU A 59 2.490 11.334 -7.527 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.898 11.148 -8.008 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.517 10.646 -6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.844 9.419 -7.591 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.250 10.830 -9.817 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.131 9.089 -9.468 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.665 10.097 -9.471 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.161 10.675 -5.300 1.00 0.00 N ATOM 1022 CA ASP A 60 -1.108 11.775 -5.155 1.00 0.00 C ATOM 1023 C ASP A 60 -2.117 11.481 -4.050 1.00 0.00 C ATOM 1024 O ASP A 60 -2.743 10.421 -4.031 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.838 12.024 -6.476 1.00 0.00 C ATOM 1026 CG ASP A 60 -3.150 12.758 -6.283 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -3.293 13.458 -5.259 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -4.035 12.631 -7.155 1.00 0.00 O ATOM 0 H ASP A 60 -0.593 9.761 -5.432 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.549 12.670 -4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.195 12.603 -7.139 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.028 11.070 -6.968 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.270 12.426 -3.129 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.203 12.270 -2.019 1.00 0.00 C ATOM 1035 C LYS A 61 -4.599 11.924 -2.526 1.00 0.00 C ATOM 1036 O LYS A 61 -5.234 10.990 -2.036 1.00 0.00 O ATOM 1037 CB LYS A 61 -3.255 13.553 -1.186 1.00 0.00 C ATOM 1038 CG LYS A 61 -4.310 13.526 -0.094 1.00 0.00 C ATOM 1039 CD LYS A 61 -4.828 14.920 0.216 1.00 0.00 C ATOM 1040 CE LYS A 61 -6.191 14.872 0.890 1.00 0.00 C ATOM 1041 NZ LYS A 61 -6.478 16.120 1.651 1.00 0.00 N ATOM 0 H LYS A 61 -1.759 13.309 -3.129 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.850 11.451 -1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.278 13.722 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.449 14.398 -1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.139 12.889 -0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.889 13.084 0.809 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.119 15.437 0.863 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.897 15.497 -0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.964 14.720 0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.232 14.017 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.416 16.048 2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.755 16.252 2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.464 16.933 1.003 1.00 0.00 H new ATOM 1055 N ASP A 62 -5.070 12.680 -3.511 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.390 12.451 -4.087 1.00 0.00 C ATOM 1057 C ASP A 62 -6.594 10.974 -4.407 1.00 0.00 C ATOM 1058 O ASP A 62 -7.689 10.437 -4.237 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.570 13.290 -5.353 1.00 0.00 C ATOM 1060 CG ASP A 62 -7.526 12.650 -6.341 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -7.077 11.793 -7.130 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -8.723 13.006 -6.324 1.00 0.00 O ATOM 0 H ASP A 62 -4.557 13.457 -3.928 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.137 12.752 -3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.941 14.278 -5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.601 13.434 -5.831 1.00 0.00 H new ATOM 1067 N SER A 63 -5.534 10.322 -4.873 1.00 0.00 N ATOM 1068 CA SER A 63 -5.598 8.908 -5.222 1.00 0.00 C ATOM 1069 C SER A 63 -5.750 8.046 -3.972 1.00 0.00 C ATOM 1070 O SER A 63 -6.556 7.116 -3.940 1.00 0.00 O ATOM 1071 CB SER A 63 -4.342 8.493 -5.991 1.00 0.00 C ATOM 1072 OG SER A 63 -4.421 8.889 -7.349 1.00 0.00 O ATOM 0 H SER A 63 -4.620 10.751 -5.018 1.00 0.00 H new ATOM 0 HA SER A 63 -6.471 8.755 -5.856 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.463 8.943 -5.528 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.216 7.412 -5.931 1.00 0.00 H new ATOM 0 HG SER A 63 -3.606 8.614 -7.818 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.971 8.364 -2.943 1.00 0.00 N ATOM 1079 CA ALA A 64 -5.019 7.621 -1.690 1.00 0.00 C ATOM 1080 C ALA A 64 -6.459 7.408 -1.234 1.00 0.00 C ATOM 1081 O ALA A 64 -6.896 6.275 -1.037 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.225 8.347 -0.615 1.00 0.00 C ATOM 0 H ALA A 64 -4.299 9.131 -2.953 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.570 6.642 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.270 7.781 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.187 8.443 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.649 9.339 -0.457 1.00 0.00 H new ATOM 1088 N GLN A 65 -7.190 8.506 -1.067 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.580 8.438 -0.632 1.00 0.00 C ATOM 1090 C GLN A 65 -9.324 7.321 -1.358 1.00 0.00 C ATOM 1091 O GLN A 65 -9.882 6.423 -0.729 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.279 9.776 -0.878 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.866 10.867 0.097 1.00 0.00 C ATOM 1094 CD GLN A 65 -7.501 11.445 -0.220 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -6.450 10.752 0.205 1.00 0.00 O flip ATOM 1096 NE2 GLN A 65 -7.391 12.503 -0.840 1.00 0.00 N flip ATOM 0 H GLN A 65 -6.843 9.452 -1.226 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.590 8.222 0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.064 10.108 -1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.357 9.631 -0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.608 11.665 0.079 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.859 10.462 1.109 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.225 13.003 -1.148 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.466 12.880 -1.046 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.327 7.385 -2.685 1.00 0.00 N ATOM 1106 CA ASN A 66 -10.003 6.379 -3.497 1.00 0.00 C ATOM 1107 C ASN A 66 -9.758 4.979 -2.944 1.00 0.00 C ATOM 1108 O ASN A 66 -10.679 4.168 -2.847 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.524 6.458 -4.948 1.00 0.00 C ATOM 1110 CG ASN A 66 -10.135 5.377 -5.818 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -10.926 4.559 -5.348 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -9.769 5.368 -7.095 1.00 0.00 N ATOM 0 H ASN A 66 -8.869 8.122 -3.221 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.074 6.581 -3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.776 7.436 -5.358 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.438 6.371 -4.974 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.147 4.664 -7.729 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.110 6.065 -7.442 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.510 4.702 -2.581 1.00 0.00 N ATOM 1120 CA CYS A 67 -8.142 3.399 -2.038 1.00 0.00 C ATOM 1121 C CYS A 67 -8.686 3.227 -0.623 1.00 0.00 C ATOM 1122 O CYS A 67 -9.134 2.144 -0.245 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.622 3.235 -2.036 1.00 0.00 C ATOM 1124 SG CYS A 67 -6.042 1.737 -1.205 1.00 0.00 S ATOM 0 H CYS A 67 -7.736 5.362 -2.653 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.582 2.630 -2.673 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.267 3.227 -3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.174 4.103 -1.552 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.013 0.753 -2.054 1.00 0.00 H new ATOM 1130 N THR A 68 -8.643 4.303 0.157 1.00 0.00 N ATOM 1131 CA THR A 68 -9.128 4.271 1.531 1.00 0.00 C ATOM 1132 C THR A 68 -10.614 3.932 1.581 1.00 0.00 C ATOM 1133 O THR A 68 -11.171 3.702 2.654 1.00 0.00 O ATOM 1134 CB THR A 68 -8.897 5.619 2.240 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.601 6.131 1.908 1.00 0.00 O ATOM 1136 CG2 THR A 68 -9.015 5.464 3.749 1.00 0.00 C ATOM 0 H THR A 68 -8.277 5.208 -0.140 1.00 0.00 H new ATOM 0 HA THR A 68 -8.563 3.495 2.048 1.00 0.00 H new ATOM 0 HB THR A 68 -9.662 6.318 1.902 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.462 6.989 2.361 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.848 6.429 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.012 5.102 4.001 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.270 4.750 4.101 1.00 0.00 H new ATOM 1144 N ARG A 69 -11.249 3.902 0.414 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.671 3.591 0.326 1.00 0.00 C ATOM 1146 C ARG A 69 -12.898 2.307 -0.465 1.00 0.00 C ATOM 1147 O ARG A 69 -13.971 1.707 -0.400 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.428 4.748 -0.330 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.886 4.433 -0.622 1.00 0.00 C ATOM 1150 CD ARG A 69 -15.558 5.565 -1.383 1.00 0.00 C ATOM 1151 NE ARG A 69 -16.923 5.225 -1.776 1.00 0.00 N ATOM 1152 CZ ARG A 69 -17.680 6.000 -2.545 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -17.208 7.152 -3.001 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -18.913 5.622 -2.859 1.00 0.00 N ATOM 0 H ARG A 69 -10.802 4.089 -0.483 1.00 0.00 H new ATOM 0 HA ARG A 69 -13.049 3.446 1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.377 5.620 0.321 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.929 5.016 -1.261 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.951 3.513 -1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.416 4.257 0.314 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.572 6.461 -0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.973 5.802 -2.272 1.00 0.00 H new ATOM 0 HE ARG A 69 -17.316 4.345 -1.442 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.261 7.446 -2.762 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.792 7.745 -3.591 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -19.279 4.736 -2.510 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -19.494 6.217 -3.449 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.881 1.890 -1.213 1.00 0.00 N ATOM 1169 CA ALA A 70 -11.970 0.677 -2.015 1.00 0.00 C ATOM 1170 C ALA A 70 -11.627 -0.556 -1.186 1.00 0.00 C ATOM 1171 O ALA A 70 -12.287 -1.590 -1.292 1.00 0.00 O ATOM 1172 CB ALA A 70 -11.050 0.775 -3.223 1.00 0.00 C ATOM 0 H ALA A 70 -10.986 2.375 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.998 0.575 -2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.126 -0.138 -3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.342 1.628 -3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.021 0.905 -2.887 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.592 -0.439 -0.361 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.163 -1.545 0.487 1.00 0.00 C ATOM 1180 C ILE A 71 -10.837 -1.484 1.853 1.00 0.00 C ATOM 1181 O ILE A 71 -11.006 -2.505 2.518 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.635 -1.545 0.681 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.207 -0.351 1.537 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -7.929 -1.517 -0.667 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.836 -0.510 2.154 1.00 0.00 C ATOM 0 H ILE A 71 -10.035 0.410 -0.262 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.457 -2.464 -0.020 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.350 -2.461 1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.217 0.549 0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.939 -0.203 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.850 -1.517 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.213 -2.396 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.218 -0.617 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.599 0.374 2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.826 -1.391 2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.093 -0.628 1.365 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.223 -0.281 2.264 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.881 -0.087 3.550 1.00 0.00 C ATOM 1199 C ASN A 72 -13.163 -0.910 3.635 1.00 0.00 C ATOM 1200 O ASN A 72 -13.959 -0.935 2.699 1.00 0.00 O ATOM 1201 CB ASN A 72 -12.198 1.395 3.767 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.379 1.604 4.694 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -13.469 0.982 5.753 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -14.293 2.483 4.299 1.00 0.00 N ATOM 0 H ASN A 72 -11.091 0.575 1.725 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.201 -0.424 4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.322 1.894 4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.407 1.864 2.805 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.110 2.665 4.881 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.178 2.976 3.413 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.354 -1.582 4.766 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.539 -2.407 4.974 1.00 0.00 C ATOM 1213 C ASN A 73 -14.655 -3.475 3.891 1.00 0.00 C ATOM 1214 O ASN A 73 -15.712 -3.648 3.284 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.796 -1.536 4.983 1.00 0.00 C ATOM 1216 CG ASN A 73 -17.006 -2.272 5.526 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -16.872 -3.253 6.258 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -18.195 -1.802 5.168 1.00 0.00 N ATOM 0 H ASN A 73 -12.704 -1.572 5.552 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.441 -2.903 5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.614 -0.647 5.587 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.006 -1.196 3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -19.045 -2.257 5.502 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -18.259 -0.986 4.559 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.560 -4.191 3.654 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.538 -5.244 2.646 1.00 0.00 C ATOM 1227 C LYS A 74 -12.597 -6.372 3.059 1.00 0.00 C ATOM 1228 O LYS A 74 -11.630 -6.149 3.786 1.00 0.00 O ATOM 1229 CB LYS A 74 -13.106 -4.675 1.293 1.00 0.00 C ATOM 1230 CG LYS A 74 -14.195 -3.882 0.591 1.00 0.00 C ATOM 1231 CD LYS A 74 -15.179 -4.796 -0.120 1.00 0.00 C ATOM 1232 CE LYS A 74 -14.647 -5.243 -1.473 1.00 0.00 C ATOM 1233 NZ LYS A 74 -15.042 -4.307 -2.562 1.00 0.00 N ATOM 0 H LYS A 74 -12.676 -4.061 4.147 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.546 -5.649 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.237 -4.033 1.439 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.791 -5.495 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.727 -3.269 1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.743 -3.201 -0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.379 -5.670 0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.128 -4.277 -0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.560 -5.313 -1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.022 -6.241 -1.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.660 -4.647 -3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.079 -4.260 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.663 -3.360 -2.360 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.887 -7.580 2.588 1.00 0.00 N ATOM 1248 CA GLN A 75 -12.065 -8.742 2.908 1.00 0.00 C ATOM 1249 C GLN A 75 -11.039 -9.002 1.811 1.00 0.00 C ATOM 1250 O GLN A 75 -11.395 -9.226 0.653 1.00 0.00 O ATOM 1251 CB GLN A 75 -12.946 -9.978 3.103 1.00 0.00 C ATOM 1252 CG GLN A 75 -13.868 -9.884 4.308 1.00 0.00 C ATOM 1253 CD GLN A 75 -15.032 -10.852 4.229 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -15.614 -11.055 3.163 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -15.377 -11.457 5.359 1.00 0.00 N ATOM 0 H GLN A 75 -13.684 -7.780 1.984 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.532 -8.534 3.836 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.547 -10.130 2.207 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.308 -10.855 3.212 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.296 -10.082 5.215 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.251 -8.867 4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.867 -11.259 6.220 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.152 -12.120 5.366 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.764 -8.970 2.181 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.684 -9.202 1.228 1.00 0.00 C ATOM 1266 C LEU A 76 -7.737 -10.287 1.731 1.00 0.00 C ATOM 1267 O LEU A 76 -7.308 -10.265 2.885 1.00 0.00 O ATOM 1268 CB LEU A 76 -7.909 -7.907 0.980 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.590 -6.880 0.074 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.654 -6.113 0.843 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.562 -5.925 -0.515 1.00 0.00 C ATOM 0 H LEU A 76 -9.452 -8.786 3.135 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.126 -9.538 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.709 -7.437 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.943 -8.163 0.544 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.075 -7.411 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.128 -5.387 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.406 -6.809 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.192 -5.593 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.064 -5.201 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.049 -5.401 0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.836 -6.488 -1.102 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.412 -11.234 0.857 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.514 -12.326 1.212 1.00 0.00 C ATOM 1285 C PHE A 77 -7.013 -13.059 2.454 1.00 0.00 C ATOM 1286 O PHE A 77 -6.225 -13.603 3.226 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.100 -11.795 1.453 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.387 -11.396 0.193 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.766 -10.259 -0.503 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.337 -12.157 -0.296 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -4.111 -9.891 -1.663 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -2.679 -11.793 -1.455 1.00 0.00 C ATOM 1293 CZ PHE A 77 -3.066 -10.658 -2.139 1.00 0.00 C ATOM 0 H PHE A 77 -7.757 -11.267 -0.102 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.493 -13.030 0.380 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.152 -10.934 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.516 -12.559 1.965 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.582 -9.654 -0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.029 -13.045 0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.416 -9.003 -2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.863 -12.396 -1.825 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.552 -10.371 -3.045 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.330 -13.066 2.641 1.00 0.00 N ATOM 1304 CA GLY A 78 -8.912 -13.733 3.791 1.00 0.00 C ATOM 1305 C GLY A 78 -8.599 -13.022 5.093 1.00 0.00 C ATOM 1306 O GLY A 78 -8.175 -13.650 6.063 1.00 0.00 O ATOM 0 H GLY A 78 -9.003 -12.622 2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.993 -13.793 3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.540 -14.756 3.841 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.807 -11.710 5.114 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.541 -10.913 6.306 1.00 0.00 C ATOM 1312 C ARG A 79 -9.089 -9.498 6.148 1.00 0.00 C ATOM 1313 O ARG A 79 -8.550 -8.693 5.389 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.037 -10.861 6.585 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.182 -10.919 5.330 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.747 -11.305 5.651 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.230 -10.578 6.807 1.00 0.00 N ATOM 1318 CZ ARG A 79 -3.144 -10.943 7.479 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -2.464 -12.020 7.111 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -2.737 -10.230 8.522 1.00 0.00 N ATOM 0 H ARG A 79 -9.159 -11.176 4.319 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.044 -11.387 7.149 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.808 -9.944 7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.768 -11.693 7.236 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.607 -11.641 4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.197 -9.949 4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.694 -12.377 5.844 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.116 -11.105 4.785 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.730 -9.744 7.115 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.775 -12.570 6.310 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.630 -12.298 7.629 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.258 -9.401 8.808 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.903 -10.511 9.038 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.166 -9.203 6.870 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.788 -7.885 6.810 1.00 0.00 C ATOM 1336 C VAL A 80 -9.748 -6.780 6.959 1.00 0.00 C ATOM 1337 O VAL A 80 -9.226 -6.548 8.050 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.857 -7.720 7.906 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.529 -6.359 7.796 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.885 -8.839 7.821 1.00 0.00 C ATOM 0 H VAL A 80 -10.625 -9.858 7.503 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.264 -7.803 5.833 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.368 -7.780 8.878 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.281 -6.260 8.578 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.782 -5.574 7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.006 -6.267 6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.633 -8.706 8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.371 -8.813 6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.388 -9.800 7.953 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.454 -6.101 5.856 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.478 -5.018 5.864 1.00 0.00 C ATOM 1352 C ILE A 81 -9.147 -3.676 6.141 1.00 0.00 C ATOM 1353 O ILE A 81 -10.193 -3.362 5.572 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.719 -4.934 4.526 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -7.008 -6.257 4.234 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.722 -3.785 4.554 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -5.922 -6.141 3.187 1.00 0.00 C ATOM 0 H ILE A 81 -9.877 -6.281 4.946 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.769 -5.239 6.662 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.438 -4.746 3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.572 -6.637 5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.744 -6.990 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.194 -3.739 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.252 -2.847 4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.005 -3.945 5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.461 -7.116 3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.356 -5.791 2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.166 -5.432 3.524 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.537 -2.886 7.018 1.00 0.00 N ATOM 1370 CA LYS A 82 -9.071 -1.576 7.369 1.00 0.00 C ATOM 1371 C LYS A 82 -8.150 -0.464 6.878 1.00 0.00 C ATOM 1372 O LYS A 82 -6.928 -0.563 6.987 1.00 0.00 O ATOM 1373 CB LYS A 82 -9.256 -1.468 8.885 1.00 0.00 C ATOM 1374 CG LYS A 82 -10.536 -2.112 9.389 1.00 0.00 C ATOM 1375 CD LYS A 82 -10.448 -3.629 9.353 1.00 0.00 C ATOM 1376 CE LYS A 82 -9.724 -4.174 10.575 1.00 0.00 C ATOM 1377 NZ LYS A 82 -10.660 -4.432 11.704 1.00 0.00 N ATOM 0 H LYS A 82 -7.671 -3.131 7.499 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.039 -1.463 6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.405 -1.935 9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.252 -0.416 9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.733 -1.782 10.409 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.376 -1.781 8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.452 -4.052 9.305 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.926 -3.943 8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.210 -5.098 10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.960 -3.464 10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.129 -4.802 12.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.132 -3.545 11.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.374 -5.129 11.411 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.744 0.595 6.339 1.00 0.00 N ATOM 1392 CA ALA A 83 -7.977 1.728 5.835 1.00 0.00 C ATOM 1393 C ALA A 83 -8.418 3.028 6.498 1.00 0.00 C ATOM 1394 O ALA A 83 -9.579 3.180 6.877 1.00 0.00 O ATOM 1395 CB ALA A 83 -8.118 1.830 4.323 1.00 0.00 C ATOM 0 H ALA A 83 -9.754 0.692 6.240 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.928 1.563 6.081 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.540 2.680 3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.747 0.915 3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.168 1.968 4.064 1.00 0.00 H new ATOM 1401 N SER A 84 -7.483 3.963 6.635 1.00 0.00 N ATOM 1402 CA SER A 84 -7.774 5.250 7.257 1.00 0.00 C ATOM 1403 C SER A 84 -6.631 6.234 7.030 1.00 0.00 C ATOM 1404 O SER A 84 -5.467 5.918 7.278 1.00 0.00 O ATOM 1405 CB SER A 84 -8.018 5.071 8.757 1.00 0.00 C ATOM 1406 OG SER A 84 -9.327 4.587 9.006 1.00 0.00 O ATOM 0 H SER A 84 -6.518 3.854 6.324 1.00 0.00 H new ATOM 0 HA SER A 84 -8.675 5.654 6.795 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.286 4.376 9.168 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.875 6.023 9.268 1.00 0.00 H new ATOM 0 HG SER A 84 -9.748 4.330 8.159 1.00 0.00 H new ATOM 1412 N ILE A 85 -6.971 7.428 6.558 1.00 0.00 N ATOM 1413 CA ILE A 85 -5.975 8.459 6.298 1.00 0.00 C ATOM 1414 C ILE A 85 -5.095 8.694 7.522 1.00 0.00 C ATOM 1415 O ILE A 85 -5.574 9.127 8.569 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.634 9.790 5.891 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.522 9.589 4.661 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.573 10.845 5.618 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -6.744 9.438 3.372 1.00 0.00 C ATOM 0 H ILE A 85 -7.930 7.705 6.348 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.359 8.101 5.473 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.259 10.136 6.715 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.139 8.703 4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.200 10.438 4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.055 11.780 5.332 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.978 11.004 6.517 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.925 10.508 4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.437 9.299 2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.147 10.334 3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.086 8.572 3.444 1.00 0.00 H new ATOM 1431 N ALA A 86 -3.805 8.407 7.380 1.00 0.00 N ATOM 1432 CA ALA A 86 -2.858 8.590 8.473 1.00 0.00 C ATOM 1433 C ALA A 86 -2.623 10.071 8.753 1.00 0.00 C ATOM 1434 O ALA A 86 -2.007 10.774 7.951 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.542 7.897 8.152 1.00 0.00 C ATOM 0 H ALA A 86 -3.392 8.047 6.519 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.284 8.140 9.370 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.844 8.042 8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.718 6.831 8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.120 8.321 7.241 1.00 0.00 H new