USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=23 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 72 ASN : amide:sc= 0.0136 X(o=0.027,f=0) USER MOD Set 1.2: A 73 ASN :FLIP amide:sc= 0.0133 F(o=-2.1,f=0.027) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= -0.0749 USER MOD Set 2.2: A 23 ASN : amide:sc= 0.724 K(o=0.65,f=-3.6!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.185 USER MOD Single : A 11 THR OG1 : rot 180:sc=0.000745 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0562 USER MOD Single : A 16 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.32) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0305 X(o=-0.03,f=-0.031) USER MOD Single : A 27 TYR OH : rot 124:sc= 1.05 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -157:sc= 1.16 (180deg=0.99) USER MOD Single : A 33 TYR OH : rot 30:sc= -0.103 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 -141:sc= -4.98! (180deg=-9.96!) USER MOD Single : A 43 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.392) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -62:sc= 0.302 USER MOD Single : A 49 LYS NZ :NH3+ 160:sc= 0.499 (180deg=0.302) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -123:sc= -0.0902 (180deg=-1.35) 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 : amide:sc= -0.724 K(o=-0.72,f=-1.6!) USER MOD Single : A 66 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.9!) USER MOD Single : A 67 CYS SG : rot 82:sc= -0.503 USER MOD Single : A 68 THR OG1 : rot -25:sc= -1.27 USER MOD Single : A 74 LYS NZ :NH3+ -152:sc= -0.214 (180deg=-0.982) USER MOD Single : A 75 GLN : amide:sc= -0.0289 K(o=-0.029,f=-1.6!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -70:sc= -0.332 USER MOD ----------------------------------------------------------------- ATOM 184 N SER A 10 -1.240 11.761 2.138 1.00 0.00 N ATOM 185 CA SER A 10 -1.081 10.799 1.053 1.00 0.00 C ATOM 186 C SER A 10 -1.053 9.372 1.592 1.00 0.00 C ATOM 187 O SER A 10 -1.837 8.521 1.170 1.00 0.00 O ATOM 188 CB SER A 10 0.204 11.087 0.273 1.00 0.00 C ATOM 189 OG SER A 10 1.343 10.971 1.107 1.00 0.00 O ATOM 0 HA SER A 10 -1.935 10.899 0.383 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.289 10.393 -0.563 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.159 12.091 -0.150 1.00 0.00 H new ATOM 0 HG SER A 10 2.151 11.158 0.585 1.00 0.00 H new ATOM 195 N THR A 11 -0.144 9.117 2.528 1.00 0.00 N ATOM 196 CA THR A 11 -0.012 7.794 3.125 1.00 0.00 C ATOM 197 C THR A 11 -1.376 7.213 3.481 1.00 0.00 C ATOM 198 O THR A 11 -2.277 7.935 3.908 1.00 0.00 O ATOM 199 CB THR A 11 0.863 7.834 4.392 1.00 0.00 C ATOM 200 OG1 THR A 11 2.082 8.536 4.124 1.00 0.00 O ATOM 201 CG2 THR A 11 1.178 6.427 4.877 1.00 0.00 C ATOM 0 H THR A 11 0.512 9.810 2.889 1.00 0.00 H new ATOM 0 HA THR A 11 0.468 7.158 2.381 1.00 0.00 H new ATOM 0 HB THR A 11 0.309 8.355 5.173 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.632 8.558 4.935 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.797 6.481 5.773 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.249 5.906 5.109 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.714 5.885 4.098 1.00 0.00 H new ATOM 209 N VAL A 12 -1.520 5.904 3.304 1.00 0.00 N ATOM 210 CA VAL A 12 -2.774 5.225 3.608 1.00 0.00 C ATOM 211 C VAL A 12 -2.596 4.226 4.746 1.00 0.00 C ATOM 212 O VAL A 12 -1.837 3.264 4.629 1.00 0.00 O ATOM 213 CB VAL A 12 -3.327 4.486 2.374 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.661 3.831 2.697 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.463 5.443 1.199 1.00 0.00 C ATOM 0 H VAL A 12 -0.784 5.292 2.952 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.485 5.994 3.910 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.624 3.701 2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.036 3.314 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.528 3.114 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.377 4.594 3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.855 4.906 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.146 6.250 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.486 5.860 0.954 1.00 0.00 H new ATOM 225 N TYR A 13 -3.301 4.462 5.847 1.00 0.00 N ATOM 226 CA TYR A 13 -3.220 3.584 7.009 1.00 0.00 C ATOM 227 C TYR A 13 -3.971 2.280 6.760 1.00 0.00 C ATOM 228 O TYR A 13 -5.194 2.219 6.890 1.00 0.00 O ATOM 229 CB TYR A 13 -3.788 4.285 8.244 1.00 0.00 C ATOM 230 CG TYR A 13 -3.321 3.682 9.550 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.408 2.314 9.777 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.792 4.480 10.557 1.00 0.00 C ATOM 233 CE1 TYR A 13 -2.984 1.759 10.969 1.00 0.00 C ATOM 234 CE2 TYR A 13 -2.364 3.934 11.751 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.462 2.573 11.953 1.00 0.00 C ATOM 236 OH TYR A 13 -2.037 2.024 13.141 1.00 0.00 O ATOM 0 H TYR A 13 -3.935 5.253 5.959 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.170 3.349 7.183 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.504 5.337 8.217 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.877 4.247 8.205 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.814 1.673 9.008 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.714 5.546 10.403 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.061 0.694 11.130 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.955 4.569 12.523 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.696 2.733 13.725 1.00 0.00 H new ATOM 246 N VAL A 14 -3.230 1.237 6.400 1.00 0.00 N ATOM 247 CA VAL A 14 -3.824 -0.068 6.134 1.00 0.00 C ATOM 248 C VAL A 14 -3.392 -1.092 7.177 1.00 0.00 C ATOM 249 O VAL A 14 -2.202 -1.246 7.456 1.00 0.00 O ATOM 250 CB VAL A 14 -3.440 -0.584 4.734 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.317 -1.763 4.341 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.544 0.533 3.708 1.00 0.00 C ATOM 0 H VAL A 14 -2.217 1.270 6.286 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.905 0.061 6.182 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.405 -0.925 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.032 -2.114 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.187 -2.569 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.361 -1.451 4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.269 0.151 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.568 0.906 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.870 1.344 3.983 1.00 0.00 H new ATOM 262 N SER A 15 -4.366 -1.791 7.752 1.00 0.00 N ATOM 263 CA SER A 15 -4.086 -2.799 8.768 1.00 0.00 C ATOM 264 C SER A 15 -4.643 -4.157 8.353 1.00 0.00 C ATOM 265 O SER A 15 -5.405 -4.261 7.393 1.00 0.00 O ATOM 266 CB SER A 15 -4.685 -2.379 10.111 1.00 0.00 C ATOM 267 OG SER A 15 -3.827 -1.482 10.795 1.00 0.00 O ATOM 0 H SER A 15 -5.355 -1.678 7.532 1.00 0.00 H new ATOM 0 HA SER A 15 -3.004 -2.885 8.871 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.654 -1.907 9.949 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.859 -3.261 10.727 1.00 0.00 H new ATOM 0 HG SER A 15 -4.234 -1.228 11.650 1.00 0.00 H new ATOM 273 N ASN A 16 -4.255 -5.197 9.084 1.00 0.00 N ATOM 274 CA ASN A 16 -4.714 -6.550 8.793 1.00 0.00 C ATOM 275 C ASN A 16 -4.215 -7.012 7.427 1.00 0.00 C ATOM 276 O ASN A 16 -4.896 -7.759 6.724 1.00 0.00 O ATOM 277 CB ASN A 16 -6.243 -6.613 8.837 1.00 0.00 C ATOM 278 CG ASN A 16 -6.767 -6.969 10.215 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.740 -6.148 11.132 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.247 -8.198 10.366 1.00 0.00 N ATOM 0 H ASN A 16 -3.624 -5.128 9.882 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.307 -7.216 9.554 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.653 -5.650 8.533 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.595 -7.351 8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.613 -8.495 11.270 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.249 -8.845 9.578 1.00 0.00 H new ATOM 287 N LEU A 17 -3.020 -6.563 7.058 1.00 0.00 N ATOM 288 CA LEU A 17 -2.427 -6.930 5.777 1.00 0.00 C ATOM 289 C LEU A 17 -1.675 -8.252 5.883 1.00 0.00 C ATOM 290 O LEU A 17 -1.049 -8.559 6.899 1.00 0.00 O ATOM 291 CB LEU A 17 -1.480 -5.829 5.296 1.00 0.00 C ATOM 292 CG LEU A 17 -2.143 -4.554 4.774 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.140 -3.412 4.725 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.751 -4.793 3.400 1.00 0.00 C ATOM 0 H LEU A 17 -2.443 -5.944 7.628 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.233 -7.049 5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.820 -5.560 6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.852 -6.238 4.505 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.944 -4.277 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.630 -2.513 4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.753 -3.224 5.727 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.317 -3.679 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.218 -3.875 3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.969 -5.095 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.502 -5.580 3.466 1.00 0.00 H new ATOM 306 N PRO A 18 -1.735 -9.056 4.811 1.00 0.00 N ATOM 307 CA PRO A 18 -1.063 -10.357 4.759 1.00 0.00 C ATOM 308 C PRO A 18 0.455 -10.224 4.697 1.00 0.00 C ATOM 309 O PRO A 18 1.055 -10.336 3.627 1.00 0.00 O ATOM 310 CB PRO A 18 -1.598 -10.981 3.467 1.00 0.00 C ATOM 311 CG PRO A 18 -1.986 -9.820 2.618 1.00 0.00 C ATOM 312 CD PRO A 18 -2.462 -8.755 3.567 1.00 0.00 C ATOM 0 HA PRO A 18 -1.260 -10.953 5.650 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.839 -11.592 2.979 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.451 -11.630 3.664 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.140 -9.468 2.028 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.772 -10.096 1.915 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.231 -7.756 3.198 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.541 -8.799 3.712 1.00 0.00 H new ATOM 320 N PHE A 19 1.071 -9.985 5.850 1.00 0.00 N ATOM 321 CA PHE A 19 2.520 -9.836 5.926 1.00 0.00 C ATOM 322 C PHE A 19 3.216 -10.793 4.963 1.00 0.00 C ATOM 323 O PHE A 19 4.276 -10.482 4.419 1.00 0.00 O ATOM 324 CB PHE A 19 3.005 -10.089 7.355 1.00 0.00 C ATOM 325 CG PHE A 19 2.295 -11.223 8.037 1.00 0.00 C ATOM 326 CD1 PHE A 19 2.744 -12.526 7.893 1.00 0.00 C ATOM 327 CD2 PHE A 19 1.179 -10.986 8.823 1.00 0.00 C ATOM 328 CE1 PHE A 19 2.093 -13.572 8.519 1.00 0.00 C ATOM 329 CE2 PHE A 19 0.524 -12.028 9.452 1.00 0.00 C ATOM 330 CZ PHE A 19 0.981 -13.323 9.300 1.00 0.00 C ATOM 0 H PHE A 19 0.590 -9.890 6.744 1.00 0.00 H new ATOM 0 HA PHE A 19 2.771 -8.815 5.640 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.074 -10.300 7.335 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.870 -9.181 7.942 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.613 -12.727 7.284 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.817 -9.976 8.946 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.453 -14.583 8.398 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.345 -11.830 10.062 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.470 -14.138 9.790 1.00 0.00 H new ATOM 340 N SER A 20 2.613 -11.960 4.758 1.00 0.00 N ATOM 341 CA SER A 20 3.177 -12.965 3.865 1.00 0.00 C ATOM 342 C SER A 20 3.819 -12.310 2.646 1.00 0.00 C ATOM 343 O SER A 20 4.919 -12.683 2.233 1.00 0.00 O ATOM 344 CB SER A 20 2.092 -13.947 3.418 1.00 0.00 C ATOM 345 OG SER A 20 2.662 -15.119 2.862 1.00 0.00 O ATOM 0 H SER A 20 1.734 -12.232 5.198 1.00 0.00 H new ATOM 0 HA SER A 20 3.947 -13.509 4.411 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.465 -14.212 4.269 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.445 -13.469 2.682 1.00 0.00 H new ATOM 0 HG SER A 20 1.948 -15.731 2.586 1.00 0.00 H new ATOM 351 N LEU A 21 3.126 -11.332 2.074 1.00 0.00 N ATOM 352 CA LEU A 21 3.627 -10.623 0.902 1.00 0.00 C ATOM 353 C LEU A 21 4.890 -9.836 1.240 1.00 0.00 C ATOM 354 O LEU A 21 5.411 -9.925 2.352 1.00 0.00 O ATOM 355 CB LEU A 21 2.555 -9.679 0.355 1.00 0.00 C ATOM 356 CG LEU A 21 1.149 -10.265 0.223 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.217 -9.269 -0.450 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.187 -11.572 -0.555 1.00 0.00 C ATOM 0 H LEU A 21 2.215 -11.012 2.403 1.00 0.00 H new ATOM 0 HA LEU A 21 3.875 -11.362 0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.503 -8.805 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.874 -9.328 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 21 0.767 -10.471 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.779 -9.703 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.166 -8.358 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.595 -9.031 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.178 -11.975 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.590 -11.391 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.821 -12.288 -0.032 1.00 0.00 H new ATOM 370 N THR A 22 5.376 -9.064 0.273 1.00 0.00 N ATOM 371 CA THR A 22 6.576 -8.260 0.468 1.00 0.00 C ATOM 372 C THR A 22 6.382 -6.844 -0.062 1.00 0.00 C ATOM 373 O THR A 22 5.502 -6.595 -0.885 1.00 0.00 O ATOM 374 CB THR A 22 7.796 -8.894 -0.228 1.00 0.00 C ATOM 375 OG1 THR A 22 8.976 -8.139 0.068 1.00 0.00 O ATOM 376 CG2 THR A 22 7.590 -8.952 -1.734 1.00 0.00 C ATOM 0 H THR A 22 4.957 -8.979 -0.653 1.00 0.00 H new ATOM 0 HA THR A 22 6.759 -8.221 1.542 1.00 0.00 H new ATOM 0 HB THR A 22 7.912 -9.911 0.147 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.747 -8.549 -0.377 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.464 -9.403 -2.204 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.708 -9.552 -1.958 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.450 -7.943 -2.121 1.00 0.00 H new ATOM 384 N ASN A 23 7.210 -5.920 0.414 1.00 0.00 N ATOM 385 CA ASN A 23 7.128 -4.528 -0.013 1.00 0.00 C ATOM 386 C ASN A 23 6.703 -4.431 -1.475 1.00 0.00 C ATOM 387 O ASN A 23 5.751 -3.728 -1.809 1.00 0.00 O ATOM 388 CB ASN A 23 8.477 -3.833 0.185 1.00 0.00 C ATOM 389 CG ASN A 23 9.211 -4.334 1.413 1.00 0.00 C ATOM 390 OD1 ASN A 23 9.549 -5.514 1.510 1.00 0.00 O ATOM 391 ND2 ASN A 23 9.462 -3.437 2.360 1.00 0.00 N ATOM 0 H ASN A 23 7.945 -6.110 1.095 1.00 0.00 H new ATOM 0 HA ASN A 23 6.376 -4.030 0.599 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.098 -3.993 -0.696 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.319 -2.758 0.273 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.953 -3.716 3.209 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.164 -2.469 2.238 1.00 0.00 H new ATOM 398 N ASN A 24 7.417 -5.144 -2.341 1.00 0.00 N ATOM 399 CA ASN A 24 7.113 -5.138 -3.768 1.00 0.00 C ATOM 400 C ASN A 24 5.631 -5.404 -4.010 1.00 0.00 C ATOM 401 O ASN A 24 4.957 -4.639 -4.699 1.00 0.00 O ATOM 402 CB ASN A 24 7.957 -6.189 -4.493 1.00 0.00 C ATOM 403 CG ASN A 24 9.445 -5.952 -4.326 1.00 0.00 C ATOM 404 OD1 ASN A 24 10.106 -6.620 -3.530 1.00 0.00 O ATOM 405 ND2 ASN A 24 9.980 -4.997 -5.077 1.00 0.00 N ATOM 0 H ASN A 24 8.209 -5.732 -2.080 1.00 0.00 H new ATOM 0 HA ASN A 24 7.355 -4.151 -4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.705 -7.179 -4.113 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.708 -6.182 -5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.977 -4.792 -5.008 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.394 -4.468 -5.723 1.00 0.00 H new ATOM 412 N ASP A 25 5.130 -6.493 -3.437 1.00 0.00 N ATOM 413 CA ASP A 25 3.726 -6.860 -3.589 1.00 0.00 C ATOM 414 C ASP A 25 2.820 -5.665 -3.312 1.00 0.00 C ATOM 415 O ASP A 25 2.150 -5.158 -4.213 1.00 0.00 O ATOM 416 CB ASP A 25 3.374 -8.013 -2.648 1.00 0.00 C ATOM 417 CG ASP A 25 3.820 -9.357 -3.187 1.00 0.00 C ATOM 418 OD1 ASP A 25 3.595 -9.620 -4.387 1.00 0.00 O ATOM 419 OD2 ASP A 25 4.394 -10.148 -2.409 1.00 0.00 O ATOM 0 H ASP A 25 5.675 -7.137 -2.863 1.00 0.00 H new ATOM 0 HA ASP A 25 3.568 -7.181 -4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.840 -7.841 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.296 -8.029 -2.486 1.00 0.00 H new ATOM 424 N LEU A 26 2.802 -5.220 -2.061 1.00 0.00 N ATOM 425 CA LEU A 26 1.977 -4.084 -1.664 1.00 0.00 C ATOM 426 C LEU A 26 2.030 -2.979 -2.714 1.00 0.00 C ATOM 427 O LEU A 26 0.995 -2.504 -3.183 1.00 0.00 O ATOM 428 CB LEU A 26 2.438 -3.541 -0.311 1.00 0.00 C ATOM 429 CG LEU A 26 2.321 -4.501 0.874 1.00 0.00 C ATOM 430 CD1 LEU A 26 3.168 -4.016 2.040 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.867 -4.653 1.295 1.00 0.00 C ATOM 0 H LEU A 26 3.349 -5.628 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 26 0.946 -4.428 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.480 -3.233 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.859 -2.645 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 26 2.693 -5.478 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.072 -4.712 2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.212 -3.960 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.828 -3.028 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.803 -5.339 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.469 -3.681 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.286 -5.048 0.461 1.00 0.00 H new ATOM 443 N TYR A 27 3.241 -2.576 -3.079 1.00 0.00 N ATOM 444 CA TYR A 27 3.430 -1.526 -4.073 1.00 0.00 C ATOM 445 C TYR A 27 2.458 -1.697 -5.237 1.00 0.00 C ATOM 446 O TYR A 27 1.747 -0.762 -5.609 1.00 0.00 O ATOM 447 CB TYR A 27 4.869 -1.537 -4.591 1.00 0.00 C ATOM 448 CG TYR A 27 5.192 -0.380 -5.509 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.909 -0.446 -6.868 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.780 0.779 -5.017 1.00 0.00 C ATOM 451 CE1 TYR A 27 5.203 0.609 -7.710 1.00 0.00 C ATOM 452 CE2 TYR A 27 6.076 1.839 -5.852 1.00 0.00 C ATOM 453 CZ TYR A 27 5.786 1.750 -7.198 1.00 0.00 C ATOM 454 OH TYR A 27 6.080 2.803 -8.033 1.00 0.00 O ATOM 0 H TYR A 27 4.107 -2.960 -2.702 1.00 0.00 H new ATOM 0 HA TYR A 27 3.231 -0.568 -3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.552 -1.517 -3.742 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.048 -2.472 -5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.452 -1.337 -7.273 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.009 0.852 -3.964 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.978 0.541 -8.764 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.532 2.733 -5.453 1.00 0.00 H new ATOM 0 HH TYR A 27 5.637 3.614 -7.706 1.00 0.00 H new ATOM 464 N ARG A 28 2.431 -2.897 -5.806 1.00 0.00 N ATOM 465 CA ARG A 28 1.547 -3.192 -6.927 1.00 0.00 C ATOM 466 C ARG A 28 0.101 -3.322 -6.459 1.00 0.00 C ATOM 467 O ARG A 28 -0.800 -2.690 -7.012 1.00 0.00 O ATOM 468 CB ARG A 28 1.987 -4.480 -7.626 1.00 0.00 C ATOM 469 CG ARG A 28 3.140 -4.283 -8.597 1.00 0.00 C ATOM 470 CD ARG A 28 3.728 -5.613 -9.040 1.00 0.00 C ATOM 471 NE ARG A 28 4.549 -5.477 -10.240 1.00 0.00 N ATOM 472 CZ ARG A 28 4.047 -5.379 -11.466 1.00 0.00 C ATOM 473 NH1 ARG A 28 2.734 -5.402 -11.653 1.00 0.00 N ATOM 474 NH2 ARG A 28 4.858 -5.257 -12.509 1.00 0.00 N ATOM 0 H ARG A 28 3.011 -3.681 -5.509 1.00 0.00 H new ATOM 0 HA ARG A 28 1.609 -2.365 -7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.279 -5.211 -6.872 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.137 -4.900 -8.165 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.792 -3.729 -9.469 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.916 -3.680 -8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.332 -6.029 -8.233 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.921 -6.320 -9.231 1.00 0.00 H new ATOM 0 HE ARG A 28 5.563 -5.456 -10.131 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.107 -5.495 -10.854 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.352 -5.327 -12.596 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.868 -5.238 -12.370 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.471 -5.182 -13.450 1.00 0.00 H new ATOM 488 N ILE A 29 -0.113 -4.146 -5.439 1.00 0.00 N ATOM 489 CA ILE A 29 -1.450 -4.358 -4.897 1.00 0.00 C ATOM 490 C ILE A 29 -2.203 -3.040 -4.760 1.00 0.00 C ATOM 491 O ILE A 29 -3.389 -2.954 -5.081 1.00 0.00 O ATOM 492 CB ILE A 29 -1.396 -5.051 -3.522 1.00 0.00 C ATOM 493 CG1 ILE A 29 -0.899 -6.490 -3.671 1.00 0.00 C ATOM 494 CG2 ILE A 29 -2.766 -5.024 -2.862 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.524 -7.139 -2.357 1.00 0.00 C ATOM 0 H ILE A 29 0.621 -4.677 -4.971 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.977 -5.003 -5.600 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.696 -4.509 -2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.674 -7.086 -4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.032 -6.500 -4.332 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.712 -5.517 -1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.084 -3.990 -2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.485 -5.545 -3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.181 -8.157 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.273 -6.567 -1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.394 -7.161 -1.701 1.00 0.00 H new ATOM 507 N PHE A 30 -1.507 -2.013 -4.283 1.00 0.00 N ATOM 508 CA PHE A 30 -2.111 -0.698 -4.104 1.00 0.00 C ATOM 509 C PHE A 30 -2.044 0.111 -5.396 1.00 0.00 C ATOM 510 O PHE A 30 -2.745 1.111 -5.552 1.00 0.00 O ATOM 511 CB PHE A 30 -1.406 0.061 -2.978 1.00 0.00 C ATOM 512 CG PHE A 30 -1.794 -0.408 -1.605 1.00 0.00 C ATOM 513 CD1 PHE A 30 -1.105 -1.441 -0.991 1.00 0.00 C ATOM 514 CD2 PHE A 30 -2.848 0.185 -0.928 1.00 0.00 C ATOM 515 CE1 PHE A 30 -1.459 -1.875 0.273 1.00 0.00 C ATOM 516 CE2 PHE A 30 -3.207 -0.244 0.336 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.513 -1.276 0.937 1.00 0.00 C ATOM 0 H PHE A 30 -0.525 -2.066 -4.014 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.158 -0.840 -3.838 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.328 -0.045 -3.098 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.634 1.123 -3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.281 -1.913 -1.506 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.395 0.992 -1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.913 -2.681 0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.030 0.227 0.853 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.793 -1.614 1.924 1.00 0.00 H new ATOM 527 N SER A 31 -1.196 -0.330 -6.320 1.00 0.00 N ATOM 528 CA SER A 31 -1.034 0.355 -7.598 1.00 0.00 C ATOM 529 C SER A 31 -2.353 0.393 -8.365 1.00 0.00 C ATOM 530 O SER A 31 -2.677 1.386 -9.017 1.00 0.00 O ATOM 531 CB SER A 31 0.039 -0.339 -8.439 1.00 0.00 C ATOM 532 OG SER A 31 0.271 0.363 -9.649 1.00 0.00 O ATOM 0 H SER A 31 -0.611 -1.158 -6.208 1.00 0.00 H new ATOM 0 HA SER A 31 -0.722 1.380 -7.397 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.966 -0.405 -7.869 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.272 -1.360 -8.661 1.00 0.00 H new ATOM 0 HG SER A 31 0.962 -0.099 -10.168 1.00 0.00 H new ATOM 538 N LYS A 32 -3.110 -0.696 -8.281 1.00 0.00 N ATOM 539 CA LYS A 32 -4.394 -0.789 -8.965 1.00 0.00 C ATOM 540 C LYS A 32 -5.223 0.471 -8.741 1.00 0.00 C ATOM 541 O LYS A 32 -6.133 0.773 -9.514 1.00 0.00 O ATOM 542 CB LYS A 32 -5.168 -2.015 -8.476 1.00 0.00 C ATOM 543 CG LYS A 32 -5.662 -1.891 -7.045 1.00 0.00 C ATOM 544 CD LYS A 32 -6.608 -3.023 -6.681 1.00 0.00 C ATOM 545 CE LYS A 32 -6.477 -3.410 -5.216 1.00 0.00 C ATOM 546 NZ LYS A 32 -5.475 -4.493 -5.015 1.00 0.00 N ATOM 0 H LYS A 32 -2.856 -1.526 -7.746 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.201 -0.890 -10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.022 -2.181 -9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.528 -2.894 -8.556 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.811 -1.894 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.170 -0.935 -6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.635 -2.721 -6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.398 -3.890 -7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.188 -2.535 -4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.446 -3.737 -4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.677 -4.992 -4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.526 -5.164 -5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.521 -4.080 -4.972 1.00 0.00 H new ATOM 560 N TYR A 33 -4.902 1.204 -7.680 1.00 0.00 N ATOM 561 CA TYR A 33 -5.618 2.432 -7.354 1.00 0.00 C ATOM 562 C TYR A 33 -4.823 3.658 -7.791 1.00 0.00 C ATOM 563 O TYR A 33 -5.278 4.445 -8.620 1.00 0.00 O ATOM 564 CB TYR A 33 -5.898 2.500 -5.852 1.00 0.00 C ATOM 565 CG TYR A 33 -6.681 1.318 -5.328 1.00 0.00 C ATOM 566 CD1 TYR A 33 -7.890 0.948 -5.906 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.213 0.569 -4.255 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.609 -0.131 -5.430 1.00 0.00 C ATOM 569 CE2 TYR A 33 -6.925 -0.512 -3.773 1.00 0.00 C ATOM 570 CZ TYR A 33 -8.122 -0.858 -4.364 1.00 0.00 C ATOM 571 OH TYR A 33 -8.835 -1.934 -3.887 1.00 0.00 O ATOM 0 H TYR A 33 -4.151 0.969 -7.031 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.565 2.425 -7.893 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.951 2.564 -5.317 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.449 3.415 -5.635 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.274 1.514 -6.742 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.276 0.837 -3.790 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.547 -0.404 -5.890 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.546 -1.083 -2.938 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.344 -2.340 -4.620 1.00 0.00 H new ATOM 581 N GLY A 34 -3.629 3.814 -7.226 1.00 0.00 N ATOM 582 CA GLY A 34 -2.788 4.946 -7.568 1.00 0.00 C ATOM 583 C GLY A 34 -1.313 4.601 -7.541 1.00 0.00 C ATOM 584 O GLY A 34 -0.899 3.661 -6.863 1.00 0.00 O ATOM 0 H GLY A 34 -3.230 3.176 -6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.056 5.306 -8.561 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.980 5.761 -6.871 1.00 0.00 H new ATOM 588 N LYS A 35 -0.515 5.363 -8.282 1.00 0.00 N ATOM 589 CA LYS A 35 0.924 5.134 -8.342 1.00 0.00 C ATOM 590 C LYS A 35 1.550 5.243 -6.956 1.00 0.00 C ATOM 591 O LYS A 35 1.314 6.209 -6.231 1.00 0.00 O ATOM 592 CB LYS A 35 1.582 6.138 -9.291 1.00 0.00 C ATOM 593 CG LYS A 35 2.883 5.640 -9.896 1.00 0.00 C ATOM 594 CD LYS A 35 3.346 6.533 -11.035 1.00 0.00 C ATOM 595 CE LYS A 35 2.785 6.068 -12.371 1.00 0.00 C ATOM 596 NZ LYS A 35 3.667 5.060 -13.022 1.00 0.00 N ATOM 0 H LYS A 35 -0.841 6.145 -8.850 1.00 0.00 H new ATOM 0 HA LYS A 35 1.091 4.125 -8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.885 6.376 -10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.774 7.065 -8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.653 5.603 -9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.749 4.622 -10.262 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.032 7.559 -10.845 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.435 6.535 -11.077 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.794 5.640 -12.220 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.664 6.926 -13.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.250 4.768 -13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.605 5.476 -13.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.762 4.230 -12.402 1.00 0.00 H new ATOM 610 N VAL A 36 2.351 4.246 -6.593 1.00 0.00 N ATOM 611 CA VAL A 36 3.013 4.231 -5.294 1.00 0.00 C ATOM 612 C VAL A 36 4.463 4.690 -5.411 1.00 0.00 C ATOM 613 O VAL A 36 5.156 4.354 -6.371 1.00 0.00 O ATOM 614 CB VAL A 36 2.981 2.826 -4.663 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.736 2.816 -3.343 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.545 2.364 -4.468 1.00 0.00 C ATOM 0 H VAL A 36 2.557 3.438 -7.181 1.00 0.00 H new ATOM 0 HA VAL A 36 2.466 4.922 -4.652 1.00 0.00 H new ATOM 0 HB VAL A 36 3.475 2.130 -5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.702 1.815 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.774 3.102 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.274 3.523 -2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.540 1.370 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.025 3.060 -3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.039 2.331 -5.433 1.00 0.00 H new ATOM 626 N VAL A 37 4.915 5.460 -4.427 1.00 0.00 N ATOM 627 CA VAL A 37 6.283 5.965 -4.418 1.00 0.00 C ATOM 628 C VAL A 37 7.157 5.166 -3.459 1.00 0.00 C ATOM 629 O VAL A 37 8.259 4.743 -3.810 1.00 0.00 O ATOM 630 CB VAL A 37 6.330 7.452 -4.020 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.769 7.941 -3.949 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.521 8.291 -4.999 1.00 0.00 C ATOM 0 H VAL A 37 4.354 5.748 -3.625 1.00 0.00 H new ATOM 0 HA VAL A 37 6.667 5.856 -5.432 1.00 0.00 H new ATOM 0 HB VAL A 37 5.886 7.560 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.782 8.994 -3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.315 7.359 -3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.243 7.821 -4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.565 9.339 -4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.934 8.180 -6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.484 7.956 -4.995 1.00 0.00 H new ATOM 642 N LYS A 38 6.659 4.961 -2.244 1.00 0.00 N ATOM 643 CA LYS A 38 7.393 4.210 -1.232 1.00 0.00 C ATOM 644 C LYS A 38 6.438 3.434 -0.331 1.00 0.00 C ATOM 645 O LYS A 38 5.317 3.874 -0.072 1.00 0.00 O ATOM 646 CB LYS A 38 8.251 5.156 -0.388 1.00 0.00 C ATOM 647 CG LYS A 38 9.492 5.656 -1.108 1.00 0.00 C ATOM 648 CD LYS A 38 10.327 6.560 -0.216 1.00 0.00 C ATOM 649 CE LYS A 38 11.061 5.764 0.853 1.00 0.00 C ATOM 650 NZ LYS A 38 12.296 5.126 0.319 1.00 0.00 N ATOM 0 H LYS A 38 5.749 5.305 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 38 8.042 3.498 -1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.646 6.011 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.553 4.643 0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.093 4.806 -1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.199 6.200 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.048 7.107 -0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.683 7.301 0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.322 6.423 1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.399 4.996 1.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.767 4.593 1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.045 4.478 -0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.939 5.861 -0.039 1.00 0.00 H new ATOM 664 N VAL A 39 6.888 2.278 0.145 1.00 0.00 N ATOM 665 CA VAL A 39 6.075 1.442 1.019 1.00 0.00 C ATOM 666 C VAL A 39 6.530 1.557 2.470 1.00 0.00 C ATOM 667 O VAL A 39 7.693 1.854 2.746 1.00 0.00 O ATOM 668 CB VAL A 39 6.129 -0.037 0.592 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.290 -0.895 1.527 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.663 -0.192 -0.848 1.00 0.00 C ATOM 0 H VAL A 39 7.812 1.899 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 39 5.049 1.800 0.933 1.00 0.00 H new ATOM 0 HB VAL A 39 7.162 -0.378 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.341 -1.936 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.673 -0.807 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.254 -0.557 1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.707 -1.243 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.637 0.166 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.310 0.390 -1.504 1.00 0.00 H new ATOM 680 N THR A 40 5.606 1.319 3.395 1.00 0.00 N ATOM 681 CA THR A 40 5.911 1.396 4.818 1.00 0.00 C ATOM 682 C THR A 40 5.180 0.309 5.598 1.00 0.00 C ATOM 683 O THR A 40 4.009 0.029 5.339 1.00 0.00 O ATOM 684 CB THR A 40 5.534 2.772 5.400 1.00 0.00 C ATOM 685 OG1 THR A 40 6.269 3.804 4.733 1.00 0.00 O ATOM 686 CG2 THR A 40 5.817 2.824 6.894 1.00 0.00 C ATOM 0 H THR A 40 4.639 1.071 3.184 1.00 0.00 H new ATOM 0 HA THR A 40 6.986 1.249 4.918 1.00 0.00 H new ATOM 0 HB THR A 40 4.467 2.928 5.244 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.023 4.675 5.107 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.543 3.805 7.282 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.233 2.057 7.402 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.878 2.648 7.070 1.00 0.00 H new ATOM 694 N ILE A 41 5.876 -0.299 6.552 1.00 0.00 N ATOM 695 CA ILE A 41 5.291 -1.354 7.369 1.00 0.00 C ATOM 696 C ILE A 41 5.631 -1.159 8.843 1.00 0.00 C ATOM 697 O ILE A 41 6.751 -0.783 9.188 1.00 0.00 O ATOM 698 CB ILE A 41 5.775 -2.746 6.922 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.256 -3.063 5.518 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.320 -3.808 7.913 1.00 0.00 C ATOM 701 CD1 ILE A 41 5.894 -4.288 4.901 1.00 0.00 C ATOM 0 H ILE A 41 6.846 -0.079 6.778 1.00 0.00 H new ATOM 0 HA ILE A 41 4.211 -1.294 7.236 1.00 0.00 H new ATOM 0 HB ILE A 41 6.865 -2.745 6.895 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.177 -3.209 5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.435 -2.205 4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.670 -4.787 7.584 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.733 -3.588 8.897 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.231 -3.811 7.968 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.479 -4.453 3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.971 -4.138 4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.693 -5.157 5.527 1.00 0.00 H new ATOM 713 N MET A 42 4.657 -1.420 9.709 1.00 0.00 N ATOM 714 CA MET A 42 4.854 -1.276 11.147 1.00 0.00 C ATOM 715 C MET A 42 5.569 -2.495 11.722 1.00 0.00 C ATOM 716 O MET A 42 5.692 -3.525 11.059 1.00 0.00 O ATOM 717 CB MET A 42 3.509 -1.080 11.850 1.00 0.00 C ATOM 718 CG MET A 42 2.844 0.249 11.530 1.00 0.00 C ATOM 719 SD MET A 42 3.562 1.624 12.450 1.00 0.00 S ATOM 720 CE MET A 42 3.744 2.842 11.150 1.00 0.00 C ATOM 0 H MET A 42 3.724 -1.732 9.440 1.00 0.00 H new ATOM 0 HA MET A 42 5.476 -0.398 11.318 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.838 -1.891 11.565 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.657 -1.153 12.927 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.931 0.447 10.462 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.780 0.182 11.756 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.682 3.381 11.285 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.748 2.342 10.181 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.913 3.546 11.192 1.00 0.00 H new ATOM 730 N LYS A 43 6.038 -2.371 12.959 1.00 0.00 N ATOM 731 CA LYS A 43 6.740 -3.462 13.624 1.00 0.00 C ATOM 732 C LYS A 43 6.641 -3.328 15.140 1.00 0.00 C ATOM 733 O LYS A 43 6.669 -2.221 15.679 1.00 0.00 O ATOM 734 CB LYS A 43 8.210 -3.484 13.199 1.00 0.00 C ATOM 735 CG LYS A 43 8.491 -4.409 12.027 1.00 0.00 C ATOM 736 CD LYS A 43 9.609 -3.873 11.150 1.00 0.00 C ATOM 737 CE LYS A 43 9.563 -4.480 9.755 1.00 0.00 C ATOM 738 NZ LYS A 43 8.519 -3.841 8.907 1.00 0.00 N ATOM 0 H LYS A 43 5.944 -1.525 13.521 1.00 0.00 H new ATOM 0 HA LYS A 43 6.268 -4.399 13.327 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.518 -2.472 12.935 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.820 -3.791 14.048 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.761 -5.397 12.399 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.586 -4.529 11.432 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.529 -2.788 11.079 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.572 -4.092 11.612 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.537 -4.369 9.278 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.365 -5.549 9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.064 -4.563 8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.804 -3.392 9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.958 -3.120 8.300 1.00 0.00 H new ATOM 752 N ASP A 44 6.525 -4.462 15.823 1.00 0.00 N ATOM 753 CA ASP A 44 6.423 -4.471 17.278 1.00 0.00 C ATOM 754 C ASP A 44 7.806 -4.540 17.918 1.00 0.00 C ATOM 755 O ASP A 44 8.815 -4.687 17.229 1.00 0.00 O ATOM 756 CB ASP A 44 5.573 -5.654 17.743 1.00 0.00 C ATOM 757 CG ASP A 44 5.214 -5.566 19.214 1.00 0.00 C ATOM 758 OD1 ASP A 44 4.841 -4.464 19.668 1.00 0.00 O ATOM 759 OD2 ASP A 44 5.307 -6.598 19.910 1.00 0.00 O ATOM 0 H ASP A 44 6.499 -5.386 15.393 1.00 0.00 H new ATOM 0 HA ASP A 44 5.943 -3.544 17.591 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.659 -5.696 17.151 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.115 -6.582 17.559 1.00 0.00 H new ATOM 764 N LYS A 45 7.845 -4.432 19.242 1.00 0.00 N ATOM 765 CA LYS A 45 9.103 -4.482 19.977 1.00 0.00 C ATOM 766 C LYS A 45 9.340 -5.873 20.557 1.00 0.00 C ATOM 767 O LYS A 45 10.457 -6.389 20.522 1.00 0.00 O ATOM 768 CB LYS A 45 9.103 -3.443 21.101 1.00 0.00 C ATOM 769 CG LYS A 45 9.361 -2.026 20.619 1.00 0.00 C ATOM 770 CD LYS A 45 8.067 -1.314 20.261 1.00 0.00 C ATOM 771 CE LYS A 45 8.266 0.191 20.171 1.00 0.00 C ATOM 772 NZ LYS A 45 6.968 0.919 20.104 1.00 0.00 N ATOM 0 H LYS A 45 7.019 -4.309 19.828 1.00 0.00 H new ATOM 0 HA LYS A 45 9.910 -4.255 19.281 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.141 -3.474 21.613 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.863 -3.713 21.834 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.883 -1.466 21.395 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.017 -2.051 19.749 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.695 -1.691 19.308 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.308 -1.538 21.011 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.831 0.535 21.037 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.861 0.427 19.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.146 1.942 20.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.439 0.609 19.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.411 0.715 20.958 1.00 0.00 H new ATOM 786 N ASP A 46 8.282 -6.475 21.089 1.00 0.00 N ATOM 787 CA ASP A 46 8.374 -7.808 21.673 1.00 0.00 C ATOM 788 C ASP A 46 8.337 -8.881 20.590 1.00 0.00 C ATOM 789 O ASP A 46 9.288 -9.645 20.424 1.00 0.00 O ATOM 790 CB ASP A 46 7.235 -8.031 22.669 1.00 0.00 C ATOM 791 CG ASP A 46 7.301 -7.079 23.848 1.00 0.00 C ATOM 792 OD1 ASP A 46 8.292 -7.142 24.605 1.00 0.00 O ATOM 793 OD2 ASP A 46 6.362 -6.273 24.013 1.00 0.00 O ATOM 0 H ASP A 46 7.351 -6.061 21.128 1.00 0.00 H new ATOM 0 HA ASP A 46 9.326 -7.882 22.199 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.280 -7.906 22.158 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.270 -9.058 23.033 1.00 0.00 H new ATOM 798 N THR A 47 7.230 -8.933 19.854 1.00 0.00 N ATOM 799 CA THR A 47 7.067 -9.913 18.788 1.00 0.00 C ATOM 800 C THR A 47 7.898 -9.539 17.565 1.00 0.00 C ATOM 801 O THR A 47 8.306 -10.406 16.792 1.00 0.00 O ATOM 802 CB THR A 47 5.591 -10.048 18.369 1.00 0.00 C ATOM 803 OG1 THR A 47 5.062 -8.764 18.019 1.00 0.00 O ATOM 804 CG2 THR A 47 4.764 -10.654 19.493 1.00 0.00 C ATOM 0 H THR A 47 6.434 -8.308 19.977 1.00 0.00 H new ATOM 0 HA THR A 47 7.414 -10.868 19.182 1.00 0.00 H new ATOM 0 HB THR A 47 5.540 -10.709 17.504 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.086 -8.176 18.802 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.725 -10.740 19.175 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.152 -11.643 19.737 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.822 -10.014 20.373 1.00 0.00 H new ATOM 812 N ARG A 48 8.145 -8.245 17.397 1.00 0.00 N ATOM 813 CA ARG A 48 8.927 -7.756 16.268 1.00 0.00 C ATOM 814 C ARG A 48 8.316 -8.211 14.946 1.00 0.00 C ATOM 815 O ARG A 48 9.029 -8.584 14.014 1.00 0.00 O ATOM 816 CB ARG A 48 10.372 -8.249 16.370 1.00 0.00 C ATOM 817 CG ARG A 48 11.284 -7.306 17.137 1.00 0.00 C ATOM 818 CD ARG A 48 12.684 -7.882 17.285 1.00 0.00 C ATOM 819 NE ARG A 48 13.450 -7.199 18.323 1.00 0.00 N ATOM 820 CZ ARG A 48 14.484 -7.746 18.954 1.00 0.00 C ATOM 821 NH1 ARG A 48 14.873 -8.977 18.652 1.00 0.00 N ATOM 822 NH2 ARG A 48 15.131 -7.060 19.887 1.00 0.00 N ATOM 0 H ARG A 48 7.815 -7.515 18.029 1.00 0.00 H new ATOM 0 HA ARG A 48 8.918 -6.666 16.297 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.381 -9.225 16.856 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.771 -8.390 15.365 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.336 -6.348 16.620 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.863 -7.113 18.124 1.00 0.00 H new ATOM 0 HD2 ARG A 48 12.616 -8.943 17.524 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.211 -7.803 16.334 1.00 0.00 H new ATOM 0 HE ARG A 48 13.177 -6.250 18.578 1.00 0.00 H new ATOM 0 HH11 ARG A 48 14.378 -9.506 17.934 1.00 0.00 H new ATOM 0 HH12 ARG A 48 15.667 -9.395 19.138 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.835 -6.112 20.120 1.00 0.00 H new ATOM 0 HH22 ARG A 48 15.924 -7.480 20.371 1.00 0.00 H new ATOM 836 N LYS A 49 6.989 -8.178 14.871 1.00 0.00 N ATOM 837 CA LYS A 49 6.280 -8.586 13.664 1.00 0.00 C ATOM 838 C LYS A 49 5.472 -7.427 13.091 1.00 0.00 C ATOM 839 O LYS A 49 5.156 -6.469 13.796 1.00 0.00 O ATOM 840 CB LYS A 49 5.355 -9.767 13.966 1.00 0.00 C ATOM 841 CG LYS A 49 6.075 -10.971 14.547 1.00 0.00 C ATOM 842 CD LYS A 49 7.101 -11.530 13.576 1.00 0.00 C ATOM 843 CE LYS A 49 7.610 -12.891 14.024 1.00 0.00 C ATOM 844 NZ LYS A 49 8.788 -12.772 14.928 1.00 0.00 N ATOM 0 H LYS A 49 6.383 -7.873 15.633 1.00 0.00 H new ATOM 0 HA LYS A 49 7.019 -8.892 12.924 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.583 -9.444 14.665 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.849 -10.065 13.048 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.569 -10.687 15.476 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.349 -11.745 14.796 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.656 -11.615 12.585 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.938 -10.837 13.491 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.811 -13.427 14.537 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.881 -13.483 13.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.898 -13.651 15.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.645 -12.606 14.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.645 -11.976 15.582 1.00 0.00 H new ATOM 858 N SER A 50 5.139 -7.521 11.807 1.00 0.00 N ATOM 859 CA SER A 50 4.369 -6.479 11.138 1.00 0.00 C ATOM 860 C SER A 50 2.968 -6.372 11.733 1.00 0.00 C ATOM 861 O SER A 50 2.448 -5.274 11.932 1.00 0.00 O ATOM 862 CB SER A 50 4.278 -6.766 9.638 1.00 0.00 C ATOM 863 OG SER A 50 3.251 -5.999 9.034 1.00 0.00 O ATOM 0 H SER A 50 5.391 -8.308 11.210 1.00 0.00 H new ATOM 0 HA SER A 50 4.882 -5.529 11.288 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.233 -6.540 9.163 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.086 -7.827 9.478 1.00 0.00 H new ATOM 0 HG SER A 50 3.214 -6.199 8.075 1.00 0.00 H new ATOM 869 N LYS A 51 2.363 -7.520 12.016 1.00 0.00 N ATOM 870 CA LYS A 51 1.023 -7.558 12.589 1.00 0.00 C ATOM 871 C LYS A 51 -0.006 -7.012 11.605 1.00 0.00 C ATOM 872 O LYS A 51 -1.068 -6.535 12.003 1.00 0.00 O ATOM 873 CB LYS A 51 0.979 -6.752 13.889 1.00 0.00 C ATOM 874 CG LYS A 51 2.121 -7.068 14.839 1.00 0.00 C ATOM 875 CD LYS A 51 1.949 -6.359 16.173 1.00 0.00 C ATOM 876 CE LYS A 51 1.876 -4.850 15.996 1.00 0.00 C ATOM 877 NZ LYS A 51 3.141 -4.295 15.439 1.00 0.00 N ATOM 0 H LYS A 51 2.780 -8.437 11.858 1.00 0.00 H new ATOM 0 HA LYS A 51 0.777 -8.598 12.805 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.001 -5.689 13.649 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.033 -6.945 14.395 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.173 -8.145 15.002 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.066 -6.769 14.386 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.041 -6.714 16.660 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.782 -6.610 16.830 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.047 -4.602 15.333 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.666 -4.381 16.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.517 -3.571 16.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.838 -5.059 15.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.953 -3.866 14.510 1.00 0.00 H new ATOM 891 N GLY A 52 0.316 -7.086 10.317 1.00 0.00 N ATOM 892 CA GLY A 52 -0.592 -6.597 9.296 1.00 0.00 C ATOM 893 C GLY A 52 -0.555 -5.087 9.162 1.00 0.00 C ATOM 894 O GLY A 52 -0.622 -4.553 8.055 1.00 0.00 O ATOM 0 H GLY A 52 1.189 -7.476 9.963 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.335 -7.050 8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.607 -6.913 9.536 1.00 0.00 H new ATOM 898 N VAL A 53 -0.448 -4.397 10.294 1.00 0.00 N ATOM 899 CA VAL A 53 -0.403 -2.940 10.299 1.00 0.00 C ATOM 900 C VAL A 53 0.718 -2.422 9.404 1.00 0.00 C ATOM 901 O VAL A 53 1.894 -2.694 9.645 1.00 0.00 O ATOM 902 CB VAL A 53 -0.204 -2.389 11.723 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.488 -0.896 11.763 1.00 0.00 C ATOM 904 CG2 VAL A 53 -1.088 -3.136 12.711 1.00 0.00 C ATOM 0 H VAL A 53 -0.391 -4.824 11.219 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.362 -2.593 9.914 1.00 0.00 H new ATOM 0 HB VAL A 53 0.836 -2.544 12.012 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.342 -0.525 12.777 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.191 -0.378 11.086 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.517 -0.713 11.454 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.935 -2.734 13.712 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.133 -3.015 12.427 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.830 -4.195 12.702 1.00 0.00 H new ATOM 914 N ALA A 54 0.346 -1.673 8.371 1.00 0.00 N ATOM 915 CA ALA A 54 1.320 -1.115 7.442 1.00 0.00 C ATOM 916 C ALA A 54 0.807 0.180 6.822 1.00 0.00 C ATOM 917 O ALA A 54 -0.395 0.449 6.826 1.00 0.00 O ATOM 918 CB ALA A 54 1.653 -2.127 6.356 1.00 0.00 C ATOM 0 H ALA A 54 -0.623 -1.439 8.157 1.00 0.00 H new ATOM 0 HA ALA A 54 2.228 -0.885 8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.382 -1.697 5.669 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.070 -3.025 6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.746 -2.385 5.809 1.00 0.00 H new ATOM 924 N PHE A 55 1.725 0.980 6.290 1.00 0.00 N ATOM 925 CA PHE A 55 1.365 2.249 5.667 1.00 0.00 C ATOM 926 C PHE A 55 1.865 2.308 4.226 1.00 0.00 C ATOM 927 O PHE A 55 3.005 1.943 3.938 1.00 0.00 O ATOM 928 CB PHE A 55 1.945 3.417 6.468 1.00 0.00 C ATOM 929 CG PHE A 55 1.388 3.524 7.859 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.529 2.479 8.758 1.00 0.00 C ATOM 931 CD2 PHE A 55 0.724 4.669 8.267 1.00 0.00 C ATOM 932 CE1 PHE A 55 1.019 2.575 10.039 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.212 4.771 9.547 1.00 0.00 C ATOM 934 CZ PHE A 55 0.358 3.722 10.434 1.00 0.00 C ATOM 0 H PHE A 55 2.724 0.772 6.278 1.00 0.00 H new ATOM 0 HA PHE A 55 0.278 2.327 5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.028 3.305 6.526 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.749 4.347 5.934 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.043 1.579 8.454 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.605 5.491 7.577 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.137 1.754 10.731 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.302 5.670 9.853 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.044 3.798 11.434 1.00 0.00 H new ATOM 944 N ILE A 56 1.003 2.770 3.327 1.00 0.00 N ATOM 945 CA ILE A 56 1.356 2.878 1.917 1.00 0.00 C ATOM 946 C ILE A 56 1.429 4.337 1.478 1.00 0.00 C ATOM 947 O ILE A 56 0.469 5.093 1.634 1.00 0.00 O ATOM 948 CB ILE A 56 0.343 2.136 1.024 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.202 0.681 1.477 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.773 2.204 -0.434 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.444 -0.149 1.238 1.00 0.00 C ATOM 0 H ILE A 56 0.056 3.075 3.550 1.00 0.00 H new ATOM 0 HA ILE A 56 2.337 2.416 1.802 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.628 2.622 1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.039 0.662 2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.637 0.225 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.048 1.675 -1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.827 3.246 -0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.753 1.739 -0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.272 -1.169 1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.675 -0.160 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.281 0.283 1.786 1.00 0.00 H new ATOM 963 N LEU A 57 2.574 4.727 0.928 1.00 0.00 N ATOM 964 CA LEU A 57 2.773 6.096 0.465 1.00 0.00 C ATOM 965 C LEU A 57 2.344 6.245 -0.991 1.00 0.00 C ATOM 966 O LEU A 57 2.815 5.518 -1.866 1.00 0.00 O ATOM 967 CB LEU A 57 4.240 6.499 0.620 1.00 0.00 C ATOM 968 CG LEU A 57 4.525 8.002 0.639 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.957 8.268 1.074 1.00 0.00 C ATOM 970 CD2 LEU A 57 4.259 8.612 -0.730 1.00 0.00 C ATOM 0 H LEU A 57 3.378 4.115 0.792 1.00 0.00 H new ATOM 0 HA LEU A 57 2.155 6.754 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.619 6.066 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.807 6.052 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 57 3.855 8.471 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.141 9.342 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.114 7.866 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.644 7.787 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.467 9.682 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.904 8.139 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.216 8.453 -1.003 1.00 0.00 H new ATOM 982 N PHE A 58 1.449 7.194 -1.245 1.00 0.00 N ATOM 983 CA PHE A 58 0.957 7.441 -2.595 1.00 0.00 C ATOM 984 C PHE A 58 1.508 8.754 -3.144 1.00 0.00 C ATOM 985 O PHE A 58 1.873 9.653 -2.385 1.00 0.00 O ATOM 986 CB PHE A 58 -0.573 7.473 -2.606 1.00 0.00 C ATOM 987 CG PHE A 58 -1.201 6.109 -2.553 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.329 5.437 -1.349 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.664 5.501 -3.709 1.00 0.00 C ATOM 990 CE1 PHE A 58 -1.906 4.182 -1.298 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.243 4.246 -3.664 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.365 3.586 -2.457 1.00 0.00 C ATOM 0 H PHE A 58 1.049 7.805 -0.533 1.00 0.00 H new ATOM 0 HA PHE A 58 1.301 6.628 -3.234 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.922 8.059 -1.756 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.911 7.985 -3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.974 5.899 -0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.572 6.013 -4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.998 3.668 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.599 3.782 -4.572 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.818 2.606 -2.419 1.00 0.00 H new ATOM 1002 N LEU A 59 1.566 8.857 -4.467 1.00 0.00 N ATOM 1003 CA LEU A 59 2.073 10.060 -5.119 1.00 0.00 C ATOM 1004 C LEU A 59 1.169 11.255 -4.835 1.00 0.00 C ATOM 1005 O LEU A 59 1.633 12.304 -4.386 1.00 0.00 O ATOM 1006 CB LEU A 59 2.184 9.837 -6.628 1.00 0.00 C ATOM 1007 CG LEU A 59 2.833 10.968 -7.427 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.345 10.930 -7.274 1.00 0.00 C ATOM 1009 CD2 LEU A 59 2.442 10.876 -8.895 1.00 0.00 C ATOM 0 H LEU A 59 1.268 8.123 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 59 3.063 10.273 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.754 8.924 -6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.183 9.667 -7.025 1.00 0.00 H new ATOM 0 HG LEU A 59 2.472 11.918 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.789 11.742 -7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.607 11.045 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.724 9.976 -7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.913 11.688 -9.449 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.774 9.920 -9.301 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.359 10.953 -8.989 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.122 11.089 -5.097 1.00 0.00 N ATOM 1022 CA ASP A 60 -1.092 12.154 -4.866 1.00 0.00 C ATOM 1023 C ASP A 60 -2.184 11.695 -3.905 1.00 0.00 C ATOM 1024 O ASP A 60 -2.818 10.660 -4.116 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.715 12.601 -6.189 1.00 0.00 C ATOM 1026 CG ASP A 60 -2.954 13.451 -5.988 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -3.239 13.819 -4.829 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -3.640 13.747 -6.989 1.00 0.00 O ATOM 0 H ASP A 60 -0.522 10.228 -5.469 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.568 12.998 -4.417 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.979 13.166 -6.761 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.973 11.723 -6.781 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.399 12.470 -2.848 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.415 12.145 -1.853 1.00 0.00 C ATOM 1035 C LYS A 61 -4.723 11.740 -2.524 1.00 0.00 C ATOM 1036 O LYS A 61 -5.333 10.734 -2.161 1.00 0.00 O ATOM 1037 CB LYS A 61 -3.652 13.340 -0.927 1.00 0.00 C ATOM 1038 CG LYS A 61 -4.776 13.122 0.071 1.00 0.00 C ATOM 1039 CD LYS A 61 -6.115 13.571 -0.491 1.00 0.00 C ATOM 1040 CE LYS A 61 -6.346 15.057 -0.259 1.00 0.00 C ATOM 1041 NZ LYS A 61 -7.012 15.317 1.048 1.00 0.00 N ATOM 0 H LYS A 61 -1.883 13.329 -2.658 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.054 11.303 -1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.732 13.556 -0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.879 14.218 -1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.828 12.066 0.337 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.562 13.672 0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.152 13.358 -1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.917 13.000 -0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.392 15.582 -0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.959 15.460 -1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.152 16.340 1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.934 14.837 1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.416 14.956 1.820 1.00 0.00 H new ATOM 1055 N ASP A 62 -5.149 12.529 -3.505 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.384 12.252 -4.228 1.00 0.00 C ATOM 1057 C ASP A 62 -6.521 10.760 -4.517 1.00 0.00 C ATOM 1058 O ASP A 62 -7.533 10.144 -4.184 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.422 13.042 -5.537 1.00 0.00 C ATOM 1060 CG ASP A 62 -7.469 12.517 -6.500 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -8.659 12.480 -6.122 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -7.098 12.145 -7.633 1.00 0.00 O ATOM 0 H ASP A 62 -4.656 13.366 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.220 12.562 -3.601 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.626 14.090 -5.319 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.442 13.000 -6.012 1.00 0.00 H new ATOM 1067 N SER A 63 -5.496 10.186 -5.139 1.00 0.00 N ATOM 1068 CA SER A 63 -5.504 8.767 -5.477 1.00 0.00 C ATOM 1069 C SER A 63 -5.658 7.911 -4.223 1.00 0.00 C ATOM 1070 O SER A 63 -6.419 6.945 -4.208 1.00 0.00 O ATOM 1071 CB SER A 63 -4.217 8.389 -6.212 1.00 0.00 C ATOM 1072 OG SER A 63 -4.271 8.785 -7.571 1.00 0.00 O ATOM 0 H SER A 63 -4.650 10.681 -5.419 1.00 0.00 H new ATOM 0 HA SER A 63 -6.356 8.579 -6.131 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.364 8.863 -5.726 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.062 7.312 -6.150 1.00 0.00 H new ATOM 0 HG SER A 63 -3.436 8.534 -8.018 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.928 8.274 -3.174 1.00 0.00 N ATOM 1079 CA ALA A 64 -4.983 7.541 -1.915 1.00 0.00 C ATOM 1080 C ALA A 64 -6.425 7.340 -1.460 1.00 0.00 C ATOM 1081 O ALA A 64 -6.853 6.214 -1.205 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.187 8.271 -0.843 1.00 0.00 C ATOM 0 H ALA A 64 -4.292 9.071 -3.171 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.539 6.559 -2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.237 7.712 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.147 8.358 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.606 9.266 -0.693 1.00 0.00 H new ATOM 1088 N GLN A 65 -7.168 8.437 -1.361 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.561 8.379 -0.935 1.00 0.00 C ATOM 1090 C GLN A 65 -9.264 7.165 -1.533 1.00 0.00 C ATOM 1091 O GLN A 65 -9.726 6.284 -0.809 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.294 9.659 -1.342 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.968 10.854 -0.460 1.00 0.00 C ATOM 1094 CD GLN A 65 -10.099 11.861 -0.400 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -11.271 11.503 -0.520 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -9.753 13.129 -0.213 1.00 0.00 N ATOM 0 H GLN A 65 -6.829 9.376 -1.570 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.579 8.287 0.151 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.041 9.900 -2.374 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.368 9.478 -1.311 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.743 10.506 0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.070 11.344 -0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.769 13.381 -0.119 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.471 13.852 -0.164 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.340 7.126 -2.860 1.00 0.00 N ATOM 1106 CA ASN A 66 -9.987 6.019 -3.556 1.00 0.00 C ATOM 1107 C ASN A 66 -9.719 4.697 -2.843 1.00 0.00 C ATOM 1108 O ASN A 66 -10.648 4.021 -2.399 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.493 5.941 -5.002 1.00 0.00 C ATOM 1110 CG ASN A 66 -10.317 4.984 -5.842 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -11.160 4.252 -5.323 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -10.075 4.986 -7.148 1.00 0.00 N ATOM 0 H ASN A 66 -8.962 7.847 -3.474 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.062 6.200 -3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.527 6.935 -5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.450 5.623 -5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.597 4.364 -7.764 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.367 5.610 -7.534 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.445 4.336 -2.737 1.00 0.00 N ATOM 1120 CA CYS A 67 -8.055 3.095 -2.078 1.00 0.00 C ATOM 1121 C CYS A 67 -8.592 3.044 -0.651 1.00 0.00 C ATOM 1122 O CYS A 67 -9.148 2.033 -0.221 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.532 2.956 -2.067 1.00 0.00 C ATOM 1124 SG CYS A 67 -5.923 1.573 -1.074 1.00 0.00 S ATOM 0 H CYS A 67 -7.665 4.885 -3.099 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.485 2.265 -2.638 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.182 2.835 -3.092 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.096 3.881 -1.688 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.991 0.477 -1.769 1.00 0.00 H new ATOM 1130 N THR A 68 -8.421 4.142 0.080 1.00 0.00 N ATOM 1131 CA THR A 68 -8.885 4.222 1.459 1.00 0.00 C ATOM 1132 C THR A 68 -10.358 3.843 1.565 1.00 0.00 C ATOM 1133 O THR A 68 -10.861 3.570 2.656 1.00 0.00 O ATOM 1134 CB THR A 68 -8.687 5.636 2.037 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.385 6.125 1.700 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.857 5.631 3.549 1.00 0.00 C ATOM 0 H THR A 68 -7.964 4.988 -0.261 1.00 0.00 H new ATOM 0 HA THR A 68 -8.288 3.515 2.036 1.00 0.00 H new ATOM 0 HB THR A 68 -9.443 6.291 1.604 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.781 5.369 1.547 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.713 6.640 3.935 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.860 5.286 3.801 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.121 4.963 3.996 1.00 0.00 H new ATOM 1144 N ARG A 69 -11.044 3.827 0.428 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.460 3.482 0.394 1.00 0.00 C ATOM 1146 C ARG A 69 -12.681 2.161 -0.338 1.00 0.00 C ATOM 1147 O ARG A 69 -13.680 1.477 -0.117 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.262 4.594 -0.285 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.720 4.235 -0.523 1.00 0.00 C ATOM 1150 CD ARG A 69 -15.362 5.161 -1.545 1.00 0.00 C ATOM 1151 NE ARG A 69 -16.806 4.960 -1.634 1.00 0.00 N ATOM 1152 CZ ARG A 69 -17.637 5.838 -2.185 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -17.170 6.970 -2.692 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -18.939 5.583 -2.229 1.00 0.00 N ATOM 0 H ARG A 69 -10.642 4.049 -0.483 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.805 3.370 1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.214 5.493 0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.795 4.836 -1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.790 3.204 -0.870 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.268 4.293 0.417 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.156 6.197 -1.276 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.911 4.990 -2.523 1.00 0.00 H new ATOM 0 HE ARG A 69 -17.198 4.099 -1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.170 7.169 -2.660 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.810 7.642 -3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -19.302 4.713 -1.840 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -19.577 6.257 -2.652 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.741 1.810 -1.209 1.00 0.00 N ATOM 1169 CA ALA A 70 -11.832 0.571 -1.972 1.00 0.00 C ATOM 1170 C ALA A 70 -11.559 -0.640 -1.087 1.00 0.00 C ATOM 1171 O ALA A 70 -12.316 -1.611 -1.097 1.00 0.00 O ATOM 1172 CB ALA A 70 -10.861 0.601 -3.144 1.00 0.00 C ATOM 0 H ALA A 70 -10.908 2.366 -1.404 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.848 0.484 -2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.939 -0.330 -3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.104 1.440 -3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.843 0.715 -2.771 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.473 -0.576 -0.324 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.102 -1.668 0.568 1.00 0.00 C ATOM 1180 C ILE A 71 -10.819 -1.552 1.908 1.00 0.00 C ATOM 1181 O ILE A 71 -11.183 -2.556 2.518 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.582 -1.703 0.812 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.139 -0.457 1.583 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -7.835 -1.808 -0.509 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.704 -0.519 2.059 1.00 0.00 C ATOM 0 H ILE A 71 -9.835 0.220 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.404 -2.593 0.077 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.345 -2.582 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.264 0.418 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.793 -0.321 2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.762 -1.832 -0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.133 -2.722 -1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.074 -0.946 -1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.459 0.397 2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.577 -1.375 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.040 -0.624 1.201 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.020 -0.318 2.360 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.695 -0.070 3.629 1.00 0.00 C ATOM 1199 C ASN A 72 -12.985 -0.880 3.727 1.00 0.00 C ATOM 1200 O ASN A 72 -13.781 -0.914 2.789 1.00 0.00 O ATOM 1201 CB ASN A 72 -12.003 1.421 3.783 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.097 1.683 4.801 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -14.164 2.197 4.463 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -12.836 1.331 6.054 1.00 0.00 N ATOM 0 H ASN A 72 -10.725 0.525 1.867 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.029 -0.382 4.434 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.097 1.947 4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.303 1.829 2.818 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.534 1.483 6.782 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.938 0.908 6.288 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.183 -1.530 4.869 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.376 -2.340 5.090 1.00 0.00 C ATOM 1213 C ASN A 73 -14.498 -3.429 4.028 1.00 0.00 C ATOM 1214 O ASN A 73 -15.589 -3.704 3.527 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.626 -1.458 5.077 1.00 0.00 C ATOM 1216 CG ASN A 73 -15.973 -0.927 6.455 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -15.546 0.297 6.742 1.00 0.00 O flip ATOM 1218 ND2 ASN A 73 -16.617 -1.610 7.251 1.00 0.00 N flip ATOM 0 H ASN A 73 -12.534 -1.512 5.655 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.286 -2.817 6.066 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.470 -0.621 4.397 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.468 -2.031 4.689 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.925 -2.546 6.987 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -16.843 -1.240 8.174 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.371 -4.047 3.691 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.350 -5.108 2.691 1.00 0.00 C ATOM 1227 C LYS A 74 -12.438 -6.249 3.128 1.00 0.00 C ATOM 1228 O LYS A 74 -11.430 -6.027 3.799 1.00 0.00 O ATOM 1229 CB LYS A 74 -12.884 -4.556 1.341 1.00 0.00 C ATOM 1230 CG LYS A 74 -13.375 -5.363 0.152 1.00 0.00 C ATOM 1231 CD LYS A 74 -14.674 -4.804 -0.404 1.00 0.00 C ATOM 1232 CE LYS A 74 -15.884 -5.453 0.249 1.00 0.00 C ATOM 1233 NZ LYS A 74 -15.905 -6.927 0.039 1.00 0.00 N ATOM 0 H LYS A 74 -12.460 -3.831 4.096 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.363 -5.496 2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.230 -3.528 1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.794 -4.528 1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.614 -5.362 -0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.523 -6.400 0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.706 -3.726 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.710 -4.966 -1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.878 -5.239 1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.795 -5.015 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.888 -7.266 0.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.473 -7.153 -0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.368 -7.393 0.798 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.797 -7.469 2.741 1.00 0.00 N ATOM 1248 CA GLN A 75 -12.009 -8.644 3.093 1.00 0.00 C ATOM 1249 C GLN A 75 -11.007 -8.977 1.993 1.00 0.00 C ATOM 1250 O GLN A 75 -11.387 -9.249 0.854 1.00 0.00 O ATOM 1251 CB GLN A 75 -12.926 -9.843 3.344 1.00 0.00 C ATOM 1252 CG GLN A 75 -14.048 -9.555 4.329 1.00 0.00 C ATOM 1253 CD GLN A 75 -15.134 -10.612 4.301 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -15.200 -11.428 3.380 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -15.994 -10.605 5.313 1.00 0.00 N ATOM 0 H GLN A 75 -13.628 -7.669 2.184 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.457 -8.420 4.006 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.359 -10.163 2.396 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.329 -10.674 3.719 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.635 -9.490 5.336 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.486 -8.583 4.101 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.903 -9.911 6.055 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.746 -11.293 5.348 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.725 -8.954 2.341 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.667 -9.253 1.382 1.00 0.00 C ATOM 1266 C LEU A 76 -7.727 -10.325 1.925 1.00 0.00 C ATOM 1267 O LEU A 76 -7.227 -10.218 3.045 1.00 0.00 O ATOM 1268 CB LEU A 76 -7.876 -7.985 1.053 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.526 -7.031 0.051 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.639 -6.236 0.715 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.484 -6.096 -0.548 1.00 0.00 C ATOM 0 H LEU A 76 -9.393 -8.732 3.280 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.132 -9.630 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.698 -7.440 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.901 -8.279 0.665 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.961 -7.622 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.090 -5.562 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.398 -6.920 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.228 -5.655 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.964 -5.424 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.020 -5.512 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.721 -6.682 -1.061 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.490 -11.358 1.124 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.609 -12.449 1.523 1.00 0.00 C ATOM 1285 C PHE A 77 -7.106 -13.107 2.807 1.00 0.00 C ATOM 1286 O PHE A 77 -6.316 -13.487 3.669 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.182 -11.935 1.720 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.462 -11.657 0.432 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.632 -10.449 -0.226 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.614 -12.603 -0.122 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -3.971 -10.191 -1.412 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -2.950 -12.350 -1.308 1.00 0.00 C ATOM 1293 CZ PHE A 77 -3.128 -11.143 -1.953 1.00 0.00 C ATOM 0 H PHE A 77 -7.896 -11.463 0.194 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.612 -13.195 0.728 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.212 -11.022 2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.616 -12.670 2.292 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.289 -9.701 0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.470 -13.549 0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.113 -9.246 -1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.293 -13.096 -1.729 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.609 -10.943 -2.879 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.424 -13.238 2.926 1.00 0.00 N ATOM 1304 CA GLY A 78 -9.005 -13.849 4.107 1.00 0.00 C ATOM 1305 C GLY A 78 -8.621 -13.126 5.383 1.00 0.00 C ATOM 1306 O GLY A 78 -8.112 -13.737 6.322 1.00 0.00 O ATOM 0 H GLY A 78 -9.099 -12.932 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.091 -13.858 4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.682 -14.888 4.171 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.864 -11.820 5.417 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.538 -11.012 6.585 1.00 0.00 C ATOM 1312 C ARG A 79 -9.052 -9.584 6.420 1.00 0.00 C ATOM 1313 O ARG A 79 -8.538 -8.819 5.604 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.026 -10.997 6.816 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.217 -10.840 5.539 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.742 -11.126 5.775 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.508 -12.517 6.153 1.00 0.00 N ATOM 1318 CZ ARG A 79 -4.518 -12.948 7.410 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -4.751 -12.101 8.403 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -4.296 -14.229 7.675 1.00 0.00 N ATOM 0 H ARG A 79 -9.286 -11.299 4.648 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.027 -11.458 7.451 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.779 -10.181 7.495 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.733 -11.923 7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.603 -11.517 4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.335 -9.827 5.154 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.179 -10.897 4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.366 -10.469 6.559 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.327 -13.194 5.412 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.923 -11.116 8.203 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.758 -12.435 9.367 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.117 -14.884 6.914 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.304 -14.559 8.640 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.069 -9.233 7.201 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.652 -7.898 7.142 1.00 0.00 C ATOM 1336 C VAL A 80 -9.575 -6.823 7.236 1.00 0.00 C ATOM 1337 O VAL A 80 -8.889 -6.704 8.253 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.677 -7.683 8.272 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.322 -6.311 8.153 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.730 -8.780 8.251 1.00 0.00 C ATOM 0 H VAL A 80 -10.506 -9.854 7.882 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.159 -7.816 6.181 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.155 -7.731 9.227 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.043 -6.177 8.959 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.554 -5.541 8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.832 -6.231 7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.446 -8.613 9.056 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.251 -8.766 7.293 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.249 -9.749 8.389 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.431 -6.042 6.171 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.438 -4.976 6.134 1.00 0.00 C ATOM 1352 C ILE A 81 -9.072 -3.623 6.440 1.00 0.00 C ATOM 1353 O ILE A 81 -10.129 -3.285 5.906 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.739 -4.904 4.764 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -7.000 -6.212 4.474 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.778 -3.726 4.720 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -5.972 -6.094 3.371 1.00 0.00 C ATOM 0 H ILE A 81 -9.990 -6.128 5.322 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.697 -5.209 6.899 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.497 -4.758 3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.506 -6.550 5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.727 -6.978 4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.292 -3.689 3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.329 -2.800 4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.023 -3.843 5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.488 -7.059 3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.463 -5.786 2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.223 -5.352 3.649 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.420 -2.852 7.303 1.00 0.00 N ATOM 1370 CA LYS A 82 -8.917 -1.534 7.680 1.00 0.00 C ATOM 1371 C LYS A 82 -8.096 -0.433 7.016 1.00 0.00 C ATOM 1372 O LYS A 82 -6.869 -0.425 7.101 1.00 0.00 O ATOM 1373 CB LYS A 82 -8.879 -1.367 9.200 1.00 0.00 C ATOM 1374 CG LYS A 82 -9.612 -2.465 9.951 1.00 0.00 C ATOM 1375 CD LYS A 82 -11.099 -2.457 9.640 1.00 0.00 C ATOM 1376 CE LYS A 82 -11.876 -3.335 10.609 1.00 0.00 C ATOM 1377 NZ LYS A 82 -12.331 -2.572 11.805 1.00 0.00 N ATOM 0 H LYS A 82 -7.545 -3.117 7.755 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.949 -1.451 7.338 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.840 -1.345 9.529 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.317 -0.404 9.462 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.189 -3.434 9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.463 -2.336 11.023 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.477 -1.436 9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.260 -2.807 8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.740 -3.762 10.100 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.249 -4.169 10.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.857 -3.205 12.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.505 -2.186 12.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.949 -1.792 11.504 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.782 0.495 6.357 1.00 0.00 N ATOM 1392 CA ALA A 83 -8.116 1.603 5.683 1.00 0.00 C ATOM 1393 C ALA A 83 -8.574 2.944 6.246 1.00 0.00 C ATOM 1394 O ALA A 83 -9.762 3.151 6.493 1.00 0.00 O ATOM 1395 CB ALA A 83 -8.376 1.541 4.185 1.00 0.00 C ATOM 0 H ALA A 83 -9.799 0.502 6.275 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.044 1.512 5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.873 2.374 3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.993 0.601 3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.448 1.604 3.999 1.00 0.00 H new ATOM 1401 N SER A 84 -7.624 3.851 6.447 1.00 0.00 N ATOM 1402 CA SER A 84 -7.930 5.172 6.985 1.00 0.00 C ATOM 1403 C SER A 84 -6.797 6.152 6.697 1.00 0.00 C ATOM 1404 O SER A 84 -5.625 5.845 6.917 1.00 0.00 O ATOM 1405 CB SER A 84 -8.174 5.087 8.493 1.00 0.00 C ATOM 1406 OG SER A 84 -7.000 4.687 9.178 1.00 0.00 O ATOM 0 H SER A 84 -6.636 3.696 6.246 1.00 0.00 H new ATOM 0 HA SER A 84 -8.834 5.535 6.497 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.504 6.056 8.866 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.976 4.377 8.695 1.00 0.00 H new ATOM 0 HG SER A 84 -6.809 3.747 8.978 1.00 0.00 H new ATOM 1412 N ILE A 85 -7.156 7.332 6.202 1.00 0.00 N ATOM 1413 CA ILE A 85 -6.171 8.358 5.884 1.00 0.00 C ATOM 1414 C ILE A 85 -5.358 8.740 7.116 1.00 0.00 C ATOM 1415 O ILE A 85 -5.864 9.392 8.029 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.839 9.621 5.311 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.659 9.272 4.068 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.789 10.673 4.982 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -6.853 8.591 2.984 1.00 0.00 C ATOM 0 H ILE A 85 -8.122 7.601 6.013 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.507 7.935 5.130 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.512 10.031 6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.485 8.622 4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.098 10.184 3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.277 11.560 4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.244 10.939 5.888 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.093 10.274 4.244 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.499 8.373 2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.043 9.247 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.436 7.661 3.371 1.00 0.00 H new ATOM 1431 N ALA A 86 -4.093 8.331 7.135 1.00 0.00 N ATOM 1432 CA ALA A 86 -3.209 8.634 8.253 1.00 0.00 C ATOM 1433 C ALA A 86 -2.788 10.100 8.239 1.00 0.00 C ATOM 1434 O ALA A 86 -2.227 10.585 7.256 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.984 7.732 8.217 1.00 0.00 C ATOM 0 H ALA A 86 -3.658 7.789 6.388 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.757 8.449 9.177 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.332 7.969 9.058 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.297 6.690 8.284 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.444 7.889 7.284 1.00 0.00 H new