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 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 33 TYR OH : rot 165:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 ASN : amide:sc= -1.8! C(o=-1.8!,f=-2.4!) USER MOD Single : A 10 SER OG : rot -38:sc= -0.0484 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0444 USER MOD Single : A 16 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.49) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0956 X(o=-0.096,f=-0.55) USER MOD Single : A 27 TYR OH : rot 143:sc= 0.472 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00371) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -141:sc= -6.76! (180deg=-11.8!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.442 (180deg=-1.17) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= -0.146 (180deg=-0.775) USER MOD Single : A 61 LYS NZ :NH3+ -149:sc= -0.288 (180deg=-1.36!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc=-0.00752 K(o=-0.0075,f=-1.3) USER MOD Single : A 67 CYS SG : rot 75:sc= 0.28 USER MOD Single : A 68 THR OG1 : rot 62:sc= -0.233! USER MOD Single : A 72 ASN : amide:sc= -0.0724 X(o=-0.072,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 24:sc= 0.878 USER MOD ----------------------------------------------------------------- ATOM 184 N SER A 10 -1.367 11.818 1.816 1.00 0.00 N ATOM 185 CA SER A 10 -1.208 10.732 0.856 1.00 0.00 C ATOM 186 C SER A 10 -1.129 9.385 1.569 1.00 0.00 C ATOM 187 O SER A 10 -1.911 8.475 1.291 1.00 0.00 O ATOM 188 CB SER A 10 0.049 10.949 0.012 1.00 0.00 C ATOM 189 OG SER A 10 1.198 11.079 0.832 1.00 0.00 O ATOM 0 HA SER A 10 -2.080 10.727 0.202 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.180 10.111 -0.673 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.069 11.844 -0.598 1.00 0.00 H new ATOM 0 HG SER A 10 0.968 11.582 1.641 1.00 0.00 H new ATOM 195 N THR A 11 -0.178 9.265 2.490 1.00 0.00 N ATOM 196 CA THR A 11 0.006 8.030 3.243 1.00 0.00 C ATOM 197 C THR A 11 -1.336 7.417 3.628 1.00 0.00 C ATOM 198 O THR A 11 -2.239 8.114 4.089 1.00 0.00 O ATOM 199 CB THR A 11 0.834 8.268 4.519 1.00 0.00 C ATOM 200 OG1 THR A 11 2.099 8.848 4.182 1.00 0.00 O ATOM 201 CG2 THR A 11 1.052 6.965 5.274 1.00 0.00 C ATOM 0 H THR A 11 0.477 10.008 2.733 1.00 0.00 H new ATOM 0 HA THR A 11 0.545 7.340 2.593 1.00 0.00 H new ATOM 0 HB THR A 11 0.281 8.953 5.161 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.618 8.998 4.999 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.639 7.158 6.172 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.088 6.542 5.556 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.585 6.260 4.636 1.00 0.00 H new ATOM 209 N VAL A 12 -1.459 6.107 3.436 1.00 0.00 N ATOM 210 CA VAL A 12 -2.690 5.398 3.765 1.00 0.00 C ATOM 211 C VAL A 12 -2.459 4.383 4.878 1.00 0.00 C ATOM 212 O VAL A 12 -1.632 3.480 4.748 1.00 0.00 O ATOM 213 CB VAL A 12 -3.266 4.673 2.535 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.574 3.980 2.887 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.462 5.649 1.384 1.00 0.00 C ATOM 0 H VAL A 12 -0.721 5.515 3.054 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.406 6.147 4.104 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.554 3.911 2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.966 3.473 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.398 3.250 3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.297 4.720 3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.870 5.119 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.154 6.435 1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.503 6.093 1.116 1.00 0.00 H new ATOM 225 N TYR A 13 -3.195 4.537 5.974 1.00 0.00 N ATOM 226 CA TYR A 13 -3.069 3.634 7.112 1.00 0.00 C ATOM 227 C TYR A 13 -3.826 2.333 6.862 1.00 0.00 C ATOM 228 O TYR A 13 -5.048 2.276 6.998 1.00 0.00 O ATOM 229 CB TYR A 13 -3.592 4.306 8.382 1.00 0.00 C ATOM 230 CG TYR A 13 -3.119 3.643 9.656 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.334 2.288 9.880 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.457 4.371 10.637 1.00 0.00 C ATOM 233 CE1 TYR A 13 -2.904 1.679 11.043 1.00 0.00 C ATOM 234 CE2 TYR A 13 -2.022 3.770 11.802 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.249 2.424 12.001 1.00 0.00 C ATOM 236 OH TYR A 13 -1.818 1.821 13.160 1.00 0.00 O ATOM 0 H TYR A 13 -3.885 5.278 6.098 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.013 3.399 7.242 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.277 5.350 8.387 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.682 4.302 8.363 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.846 1.701 9.132 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.279 5.426 10.486 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.080 0.625 11.201 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.507 4.351 12.553 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.375 2.485 13.729 1.00 0.00 H new ATOM 246 N VAL A 14 -3.089 1.289 6.495 1.00 0.00 N ATOM 247 CA VAL A 14 -3.689 -0.013 6.228 1.00 0.00 C ATOM 248 C VAL A 14 -3.296 -1.029 7.294 1.00 0.00 C ATOM 249 O VAL A 14 -2.183 -0.993 7.820 1.00 0.00 O ATOM 250 CB VAL A 14 -3.272 -0.549 4.845 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.241 -1.623 4.374 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.190 0.586 3.836 1.00 0.00 C ATOM 0 H VAL A 14 -2.076 1.320 6.376 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.770 0.127 6.245 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.283 -0.999 4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.930 -1.990 3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.244 -2.448 5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.244 -1.202 4.302 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.894 0.189 2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.164 1.067 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.453 1.316 4.169 1.00 0.00 H new ATOM 262 N SER A 15 -4.216 -1.935 7.609 1.00 0.00 N ATOM 263 CA SER A 15 -3.967 -2.960 8.615 1.00 0.00 C ATOM 264 C SER A 15 -4.558 -4.299 8.185 1.00 0.00 C ATOM 265 O SER A 15 -5.263 -4.384 7.181 1.00 0.00 O ATOM 266 CB SER A 15 -4.560 -2.537 9.961 1.00 0.00 C ATOM 267 OG SER A 15 -3.807 -1.486 10.542 1.00 0.00 O ATOM 0 H SER A 15 -5.141 -1.980 7.182 1.00 0.00 H new ATOM 0 HA SER A 15 -2.888 -3.076 8.721 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.592 -2.216 9.822 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.580 -3.391 10.638 1.00 0.00 H new ATOM 0 HG SER A 15 -4.207 -1.233 11.400 1.00 0.00 H new ATOM 273 N ASN A 16 -4.265 -5.342 8.954 1.00 0.00 N ATOM 274 CA ASN A 16 -4.766 -6.679 8.653 1.00 0.00 C ATOM 275 C ASN A 16 -4.237 -7.168 7.308 1.00 0.00 C ATOM 276 O ASN A 16 -4.851 -8.014 6.657 1.00 0.00 O ATOM 277 CB ASN A 16 -6.296 -6.682 8.643 1.00 0.00 C ATOM 278 CG ASN A 16 -6.883 -6.986 10.008 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.789 -6.177 10.931 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.491 -8.159 10.142 1.00 0.00 N ATOM 0 H ASN A 16 -3.683 -5.288 9.790 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.413 -7.356 9.431 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.656 -5.711 8.304 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.650 -7.422 7.925 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.904 -8.420 11.037 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.545 -8.799 9.349 1.00 0.00 H new ATOM 287 N LEU A 17 -3.093 -6.631 6.898 1.00 0.00 N ATOM 288 CA LEU A 17 -2.479 -7.013 5.631 1.00 0.00 C ATOM 289 C LEU A 17 -1.677 -8.301 5.781 1.00 0.00 C ATOM 290 O LEU A 17 -1.066 -8.564 6.817 1.00 0.00 O ATOM 291 CB LEU A 17 -1.573 -5.891 5.122 1.00 0.00 C ATOM 292 CG LEU A 17 -2.282 -4.657 4.562 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.331 -3.472 4.511 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.848 -4.949 3.179 1.00 0.00 C ATOM 0 H LEU A 17 -2.572 -5.930 7.424 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.275 -7.185 4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.927 -5.574 5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.926 -6.298 4.344 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.109 -4.404 5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.853 -2.603 4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.974 -3.248 5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.483 -3.713 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.349 -4.060 2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.037 -5.227 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.563 -5.769 3.244 1.00 0.00 H new ATOM 306 N PRO A 18 -1.676 -9.125 4.723 1.00 0.00 N ATOM 307 CA PRO A 18 -0.950 -10.399 4.711 1.00 0.00 C ATOM 308 C PRO A 18 0.562 -10.204 4.685 1.00 0.00 C ATOM 309 O PRO A 18 1.180 -10.203 3.620 1.00 0.00 O ATOM 310 CB PRO A 18 -1.426 -11.066 3.418 1.00 0.00 C ATOM 311 CG PRO A 18 -1.839 -9.937 2.539 1.00 0.00 C ATOM 312 CD PRO A 18 -2.382 -8.876 3.455 1.00 0.00 C ATOM 0 HA PRO A 18 -1.145 -10.988 5.607 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.631 -11.654 2.960 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.257 -11.746 3.606 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.993 -9.560 1.964 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.595 -10.257 1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.181 -7.875 3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.462 -8.962 3.573 1.00 0.00 H new ATOM 320 N PHE A 19 1.153 -10.040 5.864 1.00 0.00 N ATOM 321 CA PHE A 19 2.594 -9.844 5.976 1.00 0.00 C ATOM 322 C PHE A 19 3.347 -10.821 5.078 1.00 0.00 C ATOM 323 O PHE A 19 4.429 -10.513 4.577 1.00 0.00 O ATOM 324 CB PHE A 19 3.042 -10.020 7.428 1.00 0.00 C ATOM 325 CG PHE A 19 2.351 -11.150 8.137 1.00 0.00 C ATOM 326 CD1 PHE A 19 2.801 -12.452 7.997 1.00 0.00 C ATOM 327 CD2 PHE A 19 1.250 -10.908 8.943 1.00 0.00 C ATOM 328 CE1 PHE A 19 2.167 -13.494 8.648 1.00 0.00 C ATOM 329 CE2 PHE A 19 0.612 -11.946 9.596 1.00 0.00 C ATOM 330 CZ PHE A 19 1.070 -13.240 9.448 1.00 0.00 C ATOM 0 H PHE A 19 0.657 -10.039 6.755 1.00 0.00 H new ATOM 0 HA PHE A 19 2.824 -8.829 5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.118 -10.193 7.449 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.857 -9.094 7.972 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.658 -12.656 7.372 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.887 -9.898 9.062 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.529 -14.505 8.531 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.245 -11.745 10.222 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.572 -14.052 9.957 1.00 0.00 H new ATOM 340 N SER A 20 2.767 -12.000 4.879 1.00 0.00 N ATOM 341 CA SER A 20 3.385 -13.025 4.044 1.00 0.00 C ATOM 342 C SER A 20 4.003 -12.407 2.794 1.00 0.00 C ATOM 343 O SER A 20 5.057 -12.842 2.328 1.00 0.00 O ATOM 344 CB SER A 20 2.352 -14.081 3.648 1.00 0.00 C ATOM 345 OG SER A 20 2.982 -15.275 3.217 1.00 0.00 O ATOM 0 H SER A 20 1.871 -12.270 5.284 1.00 0.00 H new ATOM 0 HA SER A 20 4.177 -13.501 4.622 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.702 -14.295 4.497 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.718 -13.693 2.851 1.00 0.00 H new ATOM 0 HG SER A 20 2.300 -15.934 2.971 1.00 0.00 H new ATOM 351 N LEU A 21 3.339 -11.391 2.254 1.00 0.00 N ATOM 352 CA LEU A 21 3.821 -10.711 1.056 1.00 0.00 C ATOM 353 C LEU A 21 5.030 -9.838 1.376 1.00 0.00 C ATOM 354 O LEU A 21 5.473 -9.766 2.523 1.00 0.00 O ATOM 355 CB LEU A 21 2.708 -9.858 0.446 1.00 0.00 C ATOM 356 CG LEU A 21 1.324 -10.504 0.387 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.350 -9.612 -0.368 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.404 -11.878 -0.263 1.00 0.00 C ATOM 0 H LEU A 21 2.465 -11.020 2.627 1.00 0.00 H new ATOM 0 HA LEU A 21 4.124 -11.470 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.631 -8.933 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.002 -9.583 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 21 0.958 -10.626 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.630 -10.088 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.270 -8.650 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.711 -9.457 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.410 -12.323 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.792 -11.779 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.068 -12.517 0.318 1.00 0.00 H new ATOM 370 N THR A 22 5.559 -9.172 0.354 1.00 0.00 N ATOM 371 CA THR A 22 6.716 -8.302 0.525 1.00 0.00 C ATOM 372 C THR A 22 6.432 -6.899 0.000 1.00 0.00 C ATOM 373 O THR A 22 5.510 -6.697 -0.790 1.00 0.00 O ATOM 374 CB THR A 22 7.955 -8.866 -0.195 1.00 0.00 C ATOM 375 OG1 THR A 22 9.140 -8.231 0.298 1.00 0.00 O ATOM 376 CG2 THR A 22 7.849 -8.657 -1.698 1.00 0.00 C ATOM 0 H THR A 22 5.204 -9.219 -0.601 1.00 0.00 H new ATOM 0 HA THR A 22 6.918 -8.253 1.595 1.00 0.00 H new ATOM 0 HB THR A 22 8.008 -9.936 0.004 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.923 -8.596 -0.164 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.735 -9.063 -2.185 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.962 -9.167 -2.075 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.773 -7.591 -1.913 1.00 0.00 H new ATOM 384 N ASN A 23 7.230 -5.933 0.443 1.00 0.00 N ATOM 385 CA ASN A 23 7.063 -4.549 0.017 1.00 0.00 C ATOM 386 C ASN A 23 6.633 -4.478 -1.445 1.00 0.00 C ATOM 387 O ASN A 23 5.656 -3.810 -1.783 1.00 0.00 O ATOM 388 CB ASN A 23 8.367 -3.772 0.214 1.00 0.00 C ATOM 389 CG ASN A 23 9.393 -4.082 -0.858 1.00 0.00 C ATOM 390 OD1 ASN A 23 9.434 -3.429 -1.901 1.00 0.00 O ATOM 391 ND2 ASN A 23 10.228 -5.084 -0.607 1.00 0.00 N ATOM 0 H ASN A 23 7.998 -6.083 1.097 1.00 0.00 H new ATOM 0 HA ASN A 23 6.282 -4.098 0.630 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.154 -2.703 0.210 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.784 -4.010 1.192 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.939 -5.339 -1.292 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.158 -5.598 0.271 1.00 0.00 H new ATOM 398 N ASN A 24 7.369 -5.171 -2.308 1.00 0.00 N ATOM 399 CA ASN A 24 7.063 -5.187 -3.734 1.00 0.00 C ATOM 400 C ASN A 24 5.595 -5.527 -3.972 1.00 0.00 C ATOM 401 O ASN A 24 4.877 -4.788 -4.645 1.00 0.00 O ATOM 402 CB ASN A 24 7.956 -6.198 -4.456 1.00 0.00 C ATOM 403 CG ASN A 24 9.432 -5.940 -4.218 1.00 0.00 C ATOM 404 OD1 ASN A 24 10.082 -6.654 -3.455 1.00 0.00 O ATOM 405 ND2 ASN A 24 9.966 -4.915 -4.872 1.00 0.00 N ATOM 0 H ASN A 24 8.181 -5.729 -2.045 1.00 0.00 H new ATOM 0 HA ASN A 24 7.256 -4.191 -4.133 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.707 -7.204 -4.119 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.751 -6.160 -5.526 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.954 -4.692 -4.752 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.388 -4.350 -5.495 1.00 0.00 H new ATOM 412 N ASP A 25 5.156 -6.651 -3.414 1.00 0.00 N ATOM 413 CA ASP A 25 3.773 -7.089 -3.564 1.00 0.00 C ATOM 414 C ASP A 25 2.806 -5.962 -3.214 1.00 0.00 C ATOM 415 O ASP A 25 1.968 -5.573 -4.029 1.00 0.00 O ATOM 416 CB ASP A 25 3.502 -8.305 -2.677 1.00 0.00 C ATOM 417 CG ASP A 25 4.332 -9.509 -3.076 1.00 0.00 C ATOM 418 OD1 ASP A 25 5.366 -9.320 -3.752 1.00 0.00 O ATOM 419 OD2 ASP A 25 3.949 -10.640 -2.713 1.00 0.00 O ATOM 0 H ASP A 25 5.738 -7.275 -2.854 1.00 0.00 H new ATOM 0 HA ASP A 25 3.616 -7.368 -4.606 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.715 -8.049 -1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.444 -8.562 -2.732 1.00 0.00 H new ATOM 424 N LEU A 26 2.925 -5.444 -1.997 1.00 0.00 N ATOM 425 CA LEU A 26 2.060 -4.363 -1.537 1.00 0.00 C ATOM 426 C LEU A 26 2.041 -3.216 -2.543 1.00 0.00 C ATOM 427 O LEU A 26 0.977 -2.773 -2.975 1.00 0.00 O ATOM 428 CB LEU A 26 2.529 -3.852 -0.174 1.00 0.00 C ATOM 429 CG LEU A 26 2.336 -4.809 1.004 1.00 0.00 C ATOM 430 CD1 LEU A 26 3.007 -4.260 2.253 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.855 -5.054 1.255 1.00 0.00 C ATOM 0 H LEU A 26 3.612 -5.755 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 26 1.048 -4.756 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.588 -3.605 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.999 -2.925 0.046 1.00 0.00 H new ATOM 0 HG LEU A 26 2.804 -5.761 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.859 -4.954 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.074 -4.137 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.569 -3.295 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.737 -5.737 2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.363 -4.108 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.403 -5.492 0.365 1.00 0.00 H new ATOM 443 N TYR A 27 3.225 -2.741 -2.913 1.00 0.00 N ATOM 444 CA TYR A 27 3.345 -1.646 -3.868 1.00 0.00 C ATOM 445 C TYR A 27 2.341 -1.803 -5.006 1.00 0.00 C ATOM 446 O TYR A 27 1.533 -0.911 -5.264 1.00 0.00 O ATOM 447 CB TYR A 27 4.766 -1.586 -4.431 1.00 0.00 C ATOM 448 CG TYR A 27 4.971 -0.478 -5.440 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.331 -0.508 -6.673 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.804 0.598 -5.161 1.00 0.00 C ATOM 451 CE1 TYR A 27 4.515 0.501 -7.599 1.00 0.00 C ATOM 452 CE2 TYR A 27 5.994 1.612 -6.080 1.00 0.00 C ATOM 453 CZ TYR A 27 5.347 1.559 -7.297 1.00 0.00 C ATOM 454 OH TYR A 27 5.534 2.566 -8.216 1.00 0.00 O ATOM 0 H TYR A 27 4.116 -3.097 -2.566 1.00 0.00 H new ATOM 0 HA TYR A 27 3.130 -0.715 -3.344 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.468 -1.452 -3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.003 -2.541 -4.900 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.678 -1.335 -6.912 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.312 0.643 -4.209 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.011 0.462 -8.553 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.645 2.441 -5.847 1.00 0.00 H new ATOM 0 HH TYR A 27 5.604 3.425 -7.750 1.00 0.00 H new ATOM 464 N ARG A 28 2.398 -2.945 -5.683 1.00 0.00 N ATOM 465 CA ARG A 28 1.495 -3.221 -6.794 1.00 0.00 C ATOM 466 C ARG A 28 0.061 -3.386 -6.301 1.00 0.00 C ATOM 467 O ARG A 28 -0.861 -2.758 -6.822 1.00 0.00 O ATOM 468 CB ARG A 28 1.938 -4.482 -7.539 1.00 0.00 C ATOM 469 CG ARG A 28 3.237 -4.309 -8.310 1.00 0.00 C ATOM 470 CD ARG A 28 3.978 -5.629 -8.454 1.00 0.00 C ATOM 471 NE ARG A 28 3.323 -6.524 -9.405 1.00 0.00 N ATOM 472 CZ ARG A 28 3.487 -7.842 -9.407 1.00 0.00 C ATOM 473 NH1 ARG A 28 4.280 -8.416 -8.513 1.00 0.00 N ATOM 474 NH2 ARG A 28 2.856 -8.589 -10.304 1.00 0.00 N ATOM 0 H ARG A 28 3.060 -3.694 -5.482 1.00 0.00 H new ATOM 0 HA ARG A 28 1.531 -2.373 -7.477 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.056 -5.295 -6.822 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.151 -4.780 -8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.024 -3.900 -9.298 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.873 -3.587 -7.797 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.000 -5.437 -8.782 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.041 -6.117 -7.481 1.00 0.00 H new ATOM 0 HE ARG A 28 2.706 -6.114 -10.106 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.766 -7.845 -7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.404 -9.428 -8.517 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.244 -8.151 -10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.983 -9.601 -10.305 1.00 0.00 H new ATOM 488 N ILE A 29 -0.119 -4.234 -5.294 1.00 0.00 N ATOM 489 CA ILE A 29 -1.440 -4.481 -4.731 1.00 0.00 C ATOM 490 C ILE A 29 -2.208 -3.177 -4.536 1.00 0.00 C ATOM 491 O ILE A 29 -3.393 -3.089 -4.856 1.00 0.00 O ATOM 492 CB ILE A 29 -1.348 -5.215 -3.380 1.00 0.00 C ATOM 493 CG1 ILE A 29 -0.825 -6.638 -3.583 1.00 0.00 C ATOM 494 CG2 ILE A 29 -2.707 -5.237 -2.695 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.413 -7.320 -2.297 1.00 0.00 C ATOM 0 H ILE A 29 0.634 -4.761 -4.851 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.973 -5.111 -5.443 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.648 -4.679 -2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.597 -7.234 -4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.029 -6.609 -4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.626 -5.759 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.044 -4.215 -2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.427 -5.753 -3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.053 -8.325 -2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.381 -6.746 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.270 -7.381 -1.627 1.00 0.00 H new ATOM 507 N PHE A 30 -1.522 -2.166 -4.012 1.00 0.00 N ATOM 508 CA PHE A 30 -2.139 -0.866 -3.776 1.00 0.00 C ATOM 509 C PHE A 30 -2.057 0.009 -5.024 1.00 0.00 C ATOM 510 O PHE A 30 -2.764 1.009 -5.141 1.00 0.00 O ATOM 511 CB PHE A 30 -1.459 -0.162 -2.600 1.00 0.00 C ATOM 512 CG PHE A 30 -1.790 -0.768 -1.266 1.00 0.00 C ATOM 513 CD1 PHE A 30 -3.017 -0.533 -0.668 1.00 0.00 C ATOM 514 CD2 PHE A 30 -0.873 -1.575 -0.611 1.00 0.00 C ATOM 515 CE1 PHE A 30 -3.323 -1.089 0.559 1.00 0.00 C ATOM 516 CE2 PHE A 30 -1.174 -2.135 0.617 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.401 -1.892 1.202 1.00 0.00 C ATOM 0 H PHE A 30 -0.540 -2.222 -3.743 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.190 -1.028 -3.536 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.379 -0.190 -2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.753 0.888 -2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.743 0.092 -1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.088 -1.769 -1.065 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.283 -0.896 1.015 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.451 -2.761 1.118 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.639 -2.329 2.160 1.00 0.00 H new ATOM 527 N SER A 31 -1.187 -0.375 -5.953 1.00 0.00 N ATOM 528 CA SER A 31 -1.008 0.376 -7.189 1.00 0.00 C ATOM 529 C SER A 31 -2.280 0.347 -8.031 1.00 0.00 C ATOM 530 O SER A 31 -2.559 1.277 -8.789 1.00 0.00 O ATOM 531 CB SER A 31 0.162 -0.194 -7.993 1.00 0.00 C ATOM 532 OG SER A 31 0.496 0.652 -9.079 1.00 0.00 O ATOM 0 H SER A 31 -0.595 -1.202 -5.873 1.00 0.00 H new ATOM 0 HA SER A 31 -0.789 1.411 -6.927 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.029 -0.316 -7.343 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.098 -1.185 -8.366 1.00 0.00 H new ATOM 0 HG SER A 31 1.247 0.266 -9.576 1.00 0.00 H new ATOM 538 N LYS A 32 -3.049 -0.728 -7.893 1.00 0.00 N ATOM 539 CA LYS A 32 -4.293 -0.880 -8.639 1.00 0.00 C ATOM 540 C LYS A 32 -5.174 0.355 -8.485 1.00 0.00 C ATOM 541 O LYS A 32 -6.032 0.626 -9.326 1.00 0.00 O ATOM 542 CB LYS A 32 -5.048 -2.123 -8.162 1.00 0.00 C ATOM 543 CG LYS A 32 -5.934 -1.869 -6.955 1.00 0.00 C ATOM 544 CD LYS A 32 -6.800 -3.076 -6.635 1.00 0.00 C ATOM 545 CE LYS A 32 -8.039 -3.123 -7.515 1.00 0.00 C ATOM 546 NZ LYS A 32 -9.007 -4.158 -7.057 1.00 0.00 N ATOM 0 H LYS A 32 -2.833 -1.507 -7.271 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.044 -0.996 -9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.661 -2.501 -8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.328 -2.903 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.314 -1.626 -6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.570 -1.004 -7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.220 -3.988 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.098 -3.044 -5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.523 -2.147 -7.512 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.746 -3.330 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.837 -4.158 -7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.553 -5.094 -7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.307 -3.946 -6.084 1.00 0.00 H new ATOM 560 N TYR A 33 -4.957 1.100 -7.407 1.00 0.00 N ATOM 561 CA TYR A 33 -5.733 2.306 -7.142 1.00 0.00 C ATOM 562 C TYR A 33 -4.929 3.557 -7.482 1.00 0.00 C ATOM 563 O TYR A 33 -5.380 4.411 -8.243 1.00 0.00 O ATOM 564 CB TYR A 33 -6.167 2.347 -5.676 1.00 0.00 C ATOM 565 CG TYR A 33 -6.905 1.106 -5.228 1.00 0.00 C ATOM 566 CD1 TYR A 33 -8.159 0.796 -5.740 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.348 0.243 -4.292 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.837 -0.336 -5.332 1.00 0.00 C ATOM 569 CE2 TYR A 33 -7.018 -0.893 -3.880 1.00 0.00 C ATOM 570 CZ TYR A 33 -8.263 -1.178 -4.402 1.00 0.00 C ATOM 571 OH TYR A 33 -8.934 -2.307 -3.995 1.00 0.00 O ATOM 0 H TYR A 33 -4.250 0.890 -6.702 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.620 2.283 -7.775 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.286 2.482 -5.049 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.806 3.216 -5.519 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.611 1.451 -6.470 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.375 0.464 -3.879 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.812 -0.561 -5.739 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.570 -1.554 -3.153 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.313 -2.908 -3.534 1.00 0.00 H new ATOM 581 N GLY A 34 -3.732 3.656 -6.911 1.00 0.00 N ATOM 582 CA GLY A 34 -2.882 4.805 -7.164 1.00 0.00 C ATOM 583 C GLY A 34 -1.409 4.449 -7.152 1.00 0.00 C ATOM 584 O GLY A 34 -0.988 3.536 -6.441 1.00 0.00 O ATOM 0 H GLY A 34 -3.336 2.961 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.140 5.239 -8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.074 5.569 -6.410 1.00 0.00 H new ATOM 588 N LYS A 35 -0.621 5.171 -7.942 1.00 0.00 N ATOM 589 CA LYS A 35 0.815 4.928 -8.020 1.00 0.00 C ATOM 590 C LYS A 35 1.471 5.100 -6.654 1.00 0.00 C ATOM 591 O LYS A 35 1.186 6.057 -5.933 1.00 0.00 O ATOM 592 CB LYS A 35 1.459 5.879 -9.031 1.00 0.00 C ATOM 593 CG LYS A 35 2.710 5.316 -9.684 1.00 0.00 C ATOM 594 CD LYS A 35 3.916 5.425 -8.767 1.00 0.00 C ATOM 595 CE LYS A 35 5.219 5.368 -9.549 1.00 0.00 C ATOM 596 NZ LYS A 35 5.610 6.706 -10.073 1.00 0.00 N ATOM 0 H LYS A 35 -0.953 5.930 -8.538 1.00 0.00 H new ATOM 0 HA LYS A 35 0.967 3.900 -8.349 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.731 6.119 -9.806 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.710 6.813 -8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.545 4.271 -9.947 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.909 5.851 -10.613 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.866 6.360 -8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.893 4.616 -8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.011 4.984 -8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.114 4.669 -10.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.503 6.625 -10.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.866 7.062 -10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.735 7.367 -9.280 1.00 0.00 H new ATOM 610 N VAL A 36 2.352 4.169 -6.304 1.00 0.00 N ATOM 611 CA VAL A 36 3.051 4.219 -5.026 1.00 0.00 C ATOM 612 C VAL A 36 4.475 4.737 -5.198 1.00 0.00 C ATOM 613 O VAL A 36 5.188 4.331 -6.116 1.00 0.00 O ATOM 614 CB VAL A 36 3.098 2.833 -4.357 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.914 2.886 -3.074 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.690 2.326 -4.082 1.00 0.00 C ATOM 0 H VAL A 36 2.599 3.370 -6.888 1.00 0.00 H new ATOM 0 HA VAL A 36 2.493 4.904 -4.387 1.00 0.00 H new ATOM 0 HB VAL A 36 3.584 2.136 -5.040 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.936 1.897 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.932 3.202 -3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.460 3.596 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.742 1.345 -3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.176 3.022 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.142 2.247 -5.021 1.00 0.00 H new ATOM 626 N VAL A 37 4.884 5.635 -4.308 1.00 0.00 N ATOM 627 CA VAL A 37 6.224 6.208 -4.359 1.00 0.00 C ATOM 628 C VAL A 37 7.149 5.533 -3.353 1.00 0.00 C ATOM 629 O VAL A 37 8.352 5.410 -3.584 1.00 0.00 O ATOM 630 CB VAL A 37 6.198 7.723 -4.081 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.592 8.315 -4.221 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.218 8.418 -5.015 1.00 0.00 C ATOM 0 H VAL A 37 4.306 5.982 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 37 6.603 6.038 -5.367 1.00 0.00 H new ATOM 0 HB VAL A 37 5.863 7.882 -3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.554 9.386 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.264 7.836 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.958 8.148 -5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.212 9.488 -4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.521 8.253 -6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.218 8.012 -4.861 1.00 0.00 H new ATOM 642 N LYS A 38 6.580 5.097 -2.234 1.00 0.00 N ATOM 643 CA LYS A 38 7.352 4.433 -1.191 1.00 0.00 C ATOM 644 C LYS A 38 6.448 3.582 -0.304 1.00 0.00 C ATOM 645 O LYS A 38 5.303 3.945 -0.037 1.00 0.00 O ATOM 646 CB LYS A 38 8.093 5.466 -0.340 1.00 0.00 C ATOM 647 CG LYS A 38 9.397 5.940 -0.958 1.00 0.00 C ATOM 648 CD LYS A 38 10.175 6.830 -0.004 1.00 0.00 C ATOM 649 CE LYS A 38 11.061 7.813 -0.755 1.00 0.00 C ATOM 650 NZ LYS A 38 10.281 8.961 -1.294 1.00 0.00 N ATOM 0 H LYS A 38 5.586 5.192 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 38 8.079 3.779 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.443 6.326 -0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.300 5.036 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.006 5.078 -1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.187 6.486 -1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.480 7.378 0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.789 6.213 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.839 8.184 -0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.562 7.298 -1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.802 9.395 -2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.357 8.624 -1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.138 9.667 -0.544 1.00 0.00 H new ATOM 664 N VAL A 39 6.972 2.448 0.151 1.00 0.00 N ATOM 665 CA VAL A 39 6.213 1.547 1.011 1.00 0.00 C ATOM 666 C VAL A 39 6.714 1.608 2.449 1.00 0.00 C ATOM 667 O VAL A 39 7.886 1.891 2.699 1.00 0.00 O ATOM 668 CB VAL A 39 6.297 0.092 0.511 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.486 -0.829 1.410 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.821 -0.004 -0.931 1.00 0.00 C ATOM 0 H VAL A 39 7.918 2.132 -0.061 1.00 0.00 H new ATOM 0 HA VAL A 39 5.174 1.876 0.977 1.00 0.00 H new ATOM 0 HB VAL A 39 7.339 -0.227 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.557 -1.852 1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.876 -0.781 2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.443 -0.514 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.887 -1.039 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.787 0.333 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.448 0.624 -1.564 1.00 0.00 H new ATOM 680 N THR A 40 5.818 1.340 3.394 1.00 0.00 N ATOM 681 CA THR A 40 6.168 1.365 4.809 1.00 0.00 C ATOM 682 C THR A 40 5.385 0.314 5.587 1.00 0.00 C ATOM 683 O THR A 40 4.198 0.102 5.340 1.00 0.00 O ATOM 684 CB THR A 40 5.903 2.750 5.428 1.00 0.00 C ATOM 685 OG1 THR A 40 6.689 3.744 4.761 1.00 0.00 O ATOM 686 CG2 THR A 40 6.231 2.750 6.914 1.00 0.00 C ATOM 0 H THR A 40 4.844 1.103 3.205 1.00 0.00 H new ATOM 0 HA THR A 40 7.233 1.143 4.876 1.00 0.00 H new ATOM 0 HB THR A 40 4.845 2.982 5.305 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.513 4.622 5.160 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.036 3.739 7.330 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.610 2.013 7.424 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.282 2.498 7.055 1.00 0.00 H new ATOM 694 N ILE A 41 6.057 -0.340 6.529 1.00 0.00 N ATOM 695 CA ILE A 41 5.423 -1.368 7.345 1.00 0.00 C ATOM 696 C ILE A 41 5.704 -1.144 8.827 1.00 0.00 C ATOM 697 O ILE A 41 6.793 -0.713 9.204 1.00 0.00 O ATOM 698 CB ILE A 41 5.903 -2.777 6.949 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.491 -3.094 5.510 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.342 -3.816 7.908 1.00 0.00 C ATOM 701 CD1 ILE A 41 6.283 -4.224 4.890 1.00 0.00 C ATOM 0 H ILE A 41 7.040 -0.176 6.746 1.00 0.00 H new ATOM 0 HA ILE A 41 4.350 -1.296 7.166 1.00 0.00 H new ATOM 0 HB ILE A 41 6.991 -2.805 7.010 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.432 -3.351 5.492 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.612 -2.199 4.900 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.690 -4.807 7.615 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.681 -3.597 8.921 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.253 -3.790 7.876 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.937 -4.394 3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.341 -3.962 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.142 -5.132 5.477 1.00 0.00 H new ATOM 713 N MET A 42 4.715 -1.443 9.663 1.00 0.00 N ATOM 714 CA MET A 42 4.858 -1.278 11.105 1.00 0.00 C ATOM 715 C MET A 42 5.566 -2.480 11.722 1.00 0.00 C ATOM 716 O MET A 42 5.647 -3.546 11.113 1.00 0.00 O ATOM 717 CB MET A 42 3.487 -1.089 11.756 1.00 0.00 C ATOM 718 CG MET A 42 2.845 0.253 11.442 1.00 0.00 C ATOM 719 SD MET A 42 3.633 1.621 12.312 1.00 0.00 S ATOM 720 CE MET A 42 3.920 2.761 10.961 1.00 0.00 C ATOM 0 H MET A 42 3.807 -1.800 9.367 1.00 0.00 H new ATOM 0 HA MET A 42 5.464 -0.390 11.286 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.823 -1.887 11.424 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.590 -1.189 12.836 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.896 0.433 10.368 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.789 0.218 11.710 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.888 3.244 11.092 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.911 2.216 10.017 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.136 3.518 10.951 1.00 0.00 H new ATOM 730 N LYS A 43 6.078 -2.300 12.935 1.00 0.00 N ATOM 731 CA LYS A 43 6.778 -3.369 13.637 1.00 0.00 C ATOM 732 C LYS A 43 6.711 -3.165 15.147 1.00 0.00 C ATOM 733 O LYS A 43 7.202 -2.165 15.670 1.00 0.00 O ATOM 734 CB LYS A 43 8.239 -3.432 13.185 1.00 0.00 C ATOM 735 CG LYS A 43 8.484 -4.414 12.052 1.00 0.00 C ATOM 736 CD LYS A 43 9.618 -3.955 11.151 1.00 0.00 C ATOM 737 CE LYS A 43 9.559 -4.634 9.791 1.00 0.00 C ATOM 738 NZ LYS A 43 10.887 -4.641 9.117 1.00 0.00 N ATOM 0 H LYS A 43 6.021 -1.423 13.453 1.00 0.00 H new ATOM 0 HA LYS A 43 6.287 -4.311 13.394 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.556 -2.438 12.868 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.862 -3.709 14.036 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.720 -5.395 12.464 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.573 -4.526 11.464 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.567 -2.874 11.022 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.574 -4.174 11.627 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.207 -5.659 9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.834 -4.120 9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.805 -5.112 8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.211 -3.663 8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.573 -5.153 9.707 1.00 0.00 H new ATOM 752 N ASP A 44 6.101 -4.119 15.842 1.00 0.00 N ATOM 753 CA ASP A 44 5.972 -4.045 17.292 1.00 0.00 C ATOM 754 C ASP A 44 7.342 -3.940 17.955 1.00 0.00 C ATOM 755 O ASP A 44 8.373 -3.960 17.282 1.00 0.00 O ATOM 756 CB ASP A 44 5.228 -5.272 17.823 1.00 0.00 C ATOM 757 CG ASP A 44 4.676 -5.055 19.218 1.00 0.00 C ATOM 758 OD1 ASP A 44 3.668 -4.331 19.351 1.00 0.00 O ATOM 759 OD2 ASP A 44 5.253 -5.610 20.177 1.00 0.00 O ATOM 0 H ASP A 44 5.688 -4.953 15.424 1.00 0.00 H new ATOM 0 HA ASP A 44 5.400 -3.149 17.536 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.410 -5.519 17.146 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.904 -6.127 17.832 1.00 0.00 H new ATOM 764 N LYS A 45 7.346 -3.826 19.279 1.00 0.00 N ATOM 765 CA LYS A 45 8.588 -3.717 20.034 1.00 0.00 C ATOM 766 C LYS A 45 8.937 -5.044 20.701 1.00 0.00 C ATOM 767 O LYS A 45 10.100 -5.448 20.729 1.00 0.00 O ATOM 768 CB LYS A 45 8.471 -2.618 21.093 1.00 0.00 C ATOM 769 CG LYS A 45 8.845 -1.238 20.580 1.00 0.00 C ATOM 770 CD LYS A 45 9.424 -0.371 21.686 1.00 0.00 C ATOM 771 CE LYS A 45 10.930 -0.548 21.801 1.00 0.00 C ATOM 772 NZ LYS A 45 11.288 -1.791 22.539 1.00 0.00 N ATOM 0 H LYS A 45 6.502 -3.807 19.851 1.00 0.00 H new ATOM 0 HA LYS A 45 9.386 -3.459 19.337 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.447 -2.593 21.467 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.113 -2.869 21.938 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.571 -1.333 19.773 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.964 -0.753 20.160 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.194 0.676 21.488 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.953 -0.627 22.635 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.369 -0.579 20.804 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.359 0.314 22.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.252 -1.703 22.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.618 -1.936 23.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.245 -2.604 21.892 1.00 0.00 H new ATOM 786 N ASP A 46 7.924 -5.718 21.234 1.00 0.00 N ATOM 787 CA ASP A 46 8.124 -7.001 21.898 1.00 0.00 C ATOM 788 C ASP A 46 8.151 -8.139 20.883 1.00 0.00 C ATOM 789 O ASP A 46 9.193 -8.754 20.650 1.00 0.00 O ATOM 790 CB ASP A 46 7.019 -7.245 22.927 1.00 0.00 C ATOM 791 CG ASP A 46 7.490 -8.089 24.094 1.00 0.00 C ATOM 792 OD1 ASP A 46 8.171 -7.541 24.987 1.00 0.00 O ATOM 793 OD2 ASP A 46 7.179 -9.298 24.115 1.00 0.00 O ATOM 0 H ASP A 46 6.956 -5.397 21.219 1.00 0.00 H new ATOM 0 HA ASP A 46 9.086 -6.971 22.410 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.655 -6.287 23.299 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.177 -7.739 22.442 1.00 0.00 H new ATOM 798 N THR A 47 6.998 -8.417 20.282 1.00 0.00 N ATOM 799 CA THR A 47 6.889 -9.483 19.294 1.00 0.00 C ATOM 800 C THR A 47 7.711 -9.166 18.050 1.00 0.00 C ATOM 801 O THR A 47 8.202 -10.069 17.372 1.00 0.00 O ATOM 802 CB THR A 47 5.424 -9.718 18.881 1.00 0.00 C ATOM 803 OG1 THR A 47 4.924 -8.576 18.177 1.00 0.00 O ATOM 804 CG2 THR A 47 4.555 -9.990 20.099 1.00 0.00 C ATOM 0 H THR A 47 6.127 -7.918 20.462 1.00 0.00 H new ATOM 0 HA THR A 47 7.277 -10.388 19.761 1.00 0.00 H new ATOM 0 HB THR A 47 5.389 -10.590 18.228 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.993 -8.734 17.916 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.525 -10.153 19.782 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.920 -10.878 20.616 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.596 -9.135 20.774 1.00 0.00 H new ATOM 812 N ARG A 48 7.859 -7.879 17.756 1.00 0.00 N ATOM 813 CA ARG A 48 8.622 -7.443 16.593 1.00 0.00 C ATOM 814 C ARG A 48 8.027 -8.013 15.308 1.00 0.00 C ATOM 815 O ARG A 48 8.746 -8.539 14.458 1.00 0.00 O ATOM 816 CB ARG A 48 10.084 -7.873 16.725 1.00 0.00 C ATOM 817 CG ARG A 48 10.946 -6.876 17.482 1.00 0.00 C ATOM 818 CD ARG A 48 12.391 -6.917 17.009 1.00 0.00 C ATOM 819 NE ARG A 48 12.525 -6.478 15.622 1.00 0.00 N ATOM 820 CZ ARG A 48 12.449 -5.208 15.242 1.00 0.00 C ATOM 821 NH1 ARG A 48 12.241 -4.255 16.141 1.00 0.00 N ATOM 822 NH2 ARG A 48 12.581 -4.888 13.961 1.00 0.00 N ATOM 0 H ARG A 48 7.460 -7.119 18.308 1.00 0.00 H new ATOM 0 HA ARG A 48 8.573 -6.355 16.545 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.126 -8.836 17.233 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.502 -8.019 15.729 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.546 -5.871 17.347 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.905 -7.094 18.549 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.001 -6.281 17.651 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.776 -7.932 17.107 1.00 0.00 H new ATOM 0 HE ARG A 48 12.686 -7.186 14.906 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.139 -4.497 17.127 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.183 -3.280 15.847 1.00 0.00 H new ATOM 0 HH21 ARG A 48 12.741 -5.618 13.267 1.00 0.00 H new ATOM 0 HH22 ARG A 48 12.522 -3.912 13.670 1.00 0.00 H new ATOM 836 N LYS A 49 6.710 -7.905 15.173 1.00 0.00 N ATOM 837 CA LYS A 49 6.017 -8.407 13.993 1.00 0.00 C ATOM 838 C LYS A 49 5.226 -7.296 13.312 1.00 0.00 C ATOM 839 O LYS A 49 4.844 -6.313 13.948 1.00 0.00 O ATOM 840 CB LYS A 49 5.079 -9.554 14.377 1.00 0.00 C ATOM 841 CG LYS A 49 5.769 -10.679 15.128 1.00 0.00 C ATOM 842 CD LYS A 49 6.821 -11.361 14.269 1.00 0.00 C ATOM 843 CE LYS A 49 6.185 -12.203 13.173 1.00 0.00 C ATOM 844 NZ LYS A 49 7.114 -13.252 12.670 1.00 0.00 N ATOM 0 H LYS A 49 6.100 -7.474 15.868 1.00 0.00 H new ATOM 0 HA LYS A 49 6.766 -8.777 13.293 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.270 -9.160 14.993 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.624 -9.958 13.473 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.236 -10.283 16.030 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.028 -11.412 15.448 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.470 -10.609 13.821 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.450 -11.993 14.896 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.279 -12.673 13.556 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.885 -11.558 12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.643 -13.804 11.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.968 -12.802 12.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.381 -13.883 13.452 1.00 0.00 H new ATOM 858 N SER A 50 4.982 -7.458 12.015 1.00 0.00 N ATOM 859 CA SER A 50 4.238 -6.466 11.247 1.00 0.00 C ATOM 860 C SER A 50 2.790 -6.387 11.721 1.00 0.00 C ATOM 861 O SER A 50 2.203 -5.306 11.784 1.00 0.00 O ATOM 862 CB SER A 50 4.281 -6.808 9.756 1.00 0.00 C ATOM 863 OG SER A 50 3.309 -6.070 9.036 1.00 0.00 O ATOM 0 H SER A 50 5.289 -8.267 11.474 1.00 0.00 H new ATOM 0 HA SER A 50 4.707 -5.494 11.403 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.273 -6.593 9.359 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.107 -7.875 9.619 1.00 0.00 H new ATOM 0 HG SER A 50 3.358 -6.305 8.086 1.00 0.00 H new ATOM 869 N LYS A 51 2.219 -7.540 12.053 1.00 0.00 N ATOM 870 CA LYS A 51 0.840 -7.604 12.523 1.00 0.00 C ATOM 871 C LYS A 51 -0.119 -7.055 11.472 1.00 0.00 C ATOM 872 O LYS A 51 -1.214 -6.597 11.795 1.00 0.00 O ATOM 873 CB LYS A 51 0.687 -6.818 13.828 1.00 0.00 C ATOM 874 CG LYS A 51 1.629 -7.277 14.928 1.00 0.00 C ATOM 875 CD LYS A 51 1.306 -6.608 16.253 1.00 0.00 C ATOM 876 CE LYS A 51 0.041 -7.179 16.873 1.00 0.00 C ATOM 877 NZ LYS A 51 0.124 -8.657 17.040 1.00 0.00 N ATOM 0 H LYS A 51 2.690 -8.443 12.005 1.00 0.00 H new ATOM 0 HA LYS A 51 0.593 -8.650 12.704 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.862 -5.761 13.628 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.341 -6.910 14.179 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.560 -8.359 15.039 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.657 -7.050 14.646 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.141 -6.740 16.941 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.185 -5.536 16.100 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.130 -6.713 17.843 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.815 -6.932 16.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.560 -8.964 17.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.094 -9.121 16.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.084 -8.919 17.341 1.00 0.00 H new ATOM 891 N GLY A 52 0.301 -7.105 10.211 1.00 0.00 N ATOM 892 CA GLY A 52 -0.534 -6.611 9.131 1.00 0.00 C ATOM 893 C GLY A 52 -0.461 -5.104 8.985 1.00 0.00 C ATOM 894 O GLY A 52 -0.472 -4.579 7.871 1.00 0.00 O ATOM 0 H GLY A 52 1.204 -7.479 9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.227 -7.079 8.196 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.568 -6.906 9.311 1.00 0.00 H new ATOM 898 N VAL A 53 -0.386 -4.404 10.113 1.00 0.00 N ATOM 899 CA VAL A 53 -0.312 -2.948 10.106 1.00 0.00 C ATOM 900 C VAL A 53 0.810 -2.460 9.196 1.00 0.00 C ATOM 901 O VAL A 53 1.989 -2.668 9.481 1.00 0.00 O ATOM 902 CB VAL A 53 -0.087 -2.391 11.524 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.382 -0.900 11.565 1.00 0.00 C ATOM 904 CG2 VAL A 53 -0.944 -3.141 12.533 1.00 0.00 C ATOM 0 H VAL A 53 -0.375 -4.822 11.043 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.267 -2.584 9.728 1.00 0.00 H new ATOM 0 HB VAL A 53 0.960 -2.537 11.791 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.218 -0.524 12.575 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.279 -0.379 10.872 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.419 -0.726 11.278 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.772 -2.734 13.530 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.996 -3.029 12.271 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.678 -4.198 12.522 1.00 0.00 H new ATOM 914 N ALA A 54 0.434 -1.809 8.100 1.00 0.00 N ATOM 915 CA ALA A 54 1.408 -1.288 7.149 1.00 0.00 C ATOM 916 C ALA A 54 0.948 0.043 6.565 1.00 0.00 C ATOM 917 O ALA A 54 -0.249 0.274 6.388 1.00 0.00 O ATOM 918 CB ALA A 54 1.652 -2.298 6.037 1.00 0.00 C ATOM 0 H ALA A 54 -0.538 -1.630 7.849 1.00 0.00 H new ATOM 0 HA ALA A 54 2.343 -1.117 7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.381 -1.896 5.334 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.033 -3.225 6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.716 -2.497 5.515 1.00 0.00 H new ATOM 924 N PHE A 55 1.904 0.916 6.269 1.00 0.00 N ATOM 925 CA PHE A 55 1.597 2.226 5.706 1.00 0.00 C ATOM 926 C PHE A 55 2.014 2.300 4.240 1.00 0.00 C ATOM 927 O PHE A 55 3.125 1.910 3.880 1.00 0.00 O ATOM 928 CB PHE A 55 2.300 3.325 6.504 1.00 0.00 C ATOM 929 CG PHE A 55 1.735 3.521 7.882 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.678 2.466 8.778 1.00 0.00 C ATOM 931 CD2 PHE A 55 1.261 4.760 8.281 1.00 0.00 C ATOM 932 CE1 PHE A 55 1.159 2.642 10.047 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.741 4.943 9.549 1.00 0.00 C ATOM 934 CZ PHE A 55 0.689 3.883 10.432 1.00 0.00 C ATOM 0 H PHE A 55 2.899 0.740 6.410 1.00 0.00 H new ATOM 0 HA PHE A 55 0.519 2.376 5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.359 3.082 6.586 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.229 4.264 5.954 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.044 1.494 8.481 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.298 5.592 7.594 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.121 1.811 10.736 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.376 5.914 9.848 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.282 4.024 11.422 1.00 0.00 H new ATOM 944 N ILE A 56 1.115 2.802 3.400 1.00 0.00 N ATOM 945 CA ILE A 56 1.389 2.928 1.974 1.00 0.00 C ATOM 946 C ILE A 56 1.443 4.392 1.552 1.00 0.00 C ATOM 947 O ILE A 56 0.501 5.151 1.782 1.00 0.00 O ATOM 948 CB ILE A 56 0.326 2.200 1.130 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.200 0.742 1.576 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.678 2.280 -0.348 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.411 -0.099 1.240 1.00 0.00 C ATOM 0 H ILE A 56 0.191 3.128 3.682 1.00 0.00 H new ATOM 0 HA ILE A 56 2.360 2.466 1.797 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.636 2.690 1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.035 0.713 2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.680 0.302 1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.082 1.761 -0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.721 3.325 -0.656 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.648 1.812 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.252 -1.121 1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.565 -0.101 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.291 0.317 1.731 1.00 0.00 H new ATOM 963 N LEU A 57 2.551 4.782 0.931 1.00 0.00 N ATOM 964 CA LEU A 57 2.728 6.156 0.473 1.00 0.00 C ATOM 965 C LEU A 57 2.324 6.299 -0.991 1.00 0.00 C ATOM 966 O LEU A 57 2.842 5.597 -1.860 1.00 0.00 O ATOM 967 CB LEU A 57 4.182 6.593 0.658 1.00 0.00 C ATOM 968 CG LEU A 57 4.433 8.101 0.679 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.801 8.407 1.268 1.00 0.00 C ATOM 970 CD2 LEU A 57 4.311 8.682 -0.722 1.00 0.00 C ATOM 0 H LEU A 57 3.340 4.167 0.733 1.00 0.00 H new ATOM 0 HA LEU A 57 2.083 6.798 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.551 6.171 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.776 6.157 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 57 3.676 8.567 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.961 9.485 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.851 8.026 2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.572 7.929 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.493 9.756 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.044 8.211 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.308 8.496 -1.107 1.00 0.00 H new ATOM 982 N PHE A 58 1.397 7.213 -1.257 1.00 0.00 N ATOM 983 CA PHE A 58 0.925 7.450 -2.616 1.00 0.00 C ATOM 984 C PHE A 58 1.476 8.763 -3.164 1.00 0.00 C ATOM 985 O PHE A 58 1.844 9.660 -2.403 1.00 0.00 O ATOM 986 CB PHE A 58 -0.604 7.472 -2.651 1.00 0.00 C ATOM 987 CG PHE A 58 -1.227 6.110 -2.532 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.204 5.427 -1.326 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.835 5.514 -3.624 1.00 0.00 C ATOM 990 CE1 PHE A 58 -1.775 4.173 -1.215 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.408 4.260 -3.518 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.379 3.590 -2.311 1.00 0.00 C ATOM 0 H PHE A 58 0.958 7.802 -0.549 1.00 0.00 H new ATOM 0 HA PHE A 58 1.285 6.636 -3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.969 8.102 -1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.931 7.932 -3.583 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.735 5.879 -0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.862 6.035 -4.570 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.749 3.649 -0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.877 3.805 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.828 2.612 -2.224 1.00 0.00 H new ATOM 1002 N LEU A 59 1.532 8.869 -4.487 1.00 0.00 N ATOM 1003 CA LEU A 59 2.040 10.072 -5.137 1.00 0.00 C ATOM 1004 C LEU A 59 1.047 11.222 -5.003 1.00 0.00 C ATOM 1005 O LEU A 59 1.436 12.365 -4.760 1.00 0.00 O ATOM 1006 CB LEU A 59 2.321 9.796 -6.615 1.00 0.00 C ATOM 1007 CG LEU A 59 2.994 10.927 -7.393 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.409 11.157 -6.884 1.00 0.00 C ATOM 1009 CD2 LEU A 59 3.005 10.618 -8.883 1.00 0.00 C ATOM 0 H LEU A 59 1.232 8.137 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 59 2.969 10.358 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.951 8.909 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.377 9.556 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 59 2.420 11.840 -7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.872 11.966 -7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.377 11.425 -5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.993 10.245 -7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.488 11.434 -9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.554 9.693 -9.059 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.981 10.505 -9.239 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.235 10.913 -5.161 1.00 0.00 N ATOM 1022 CA ASP A 60 -1.283 11.920 -5.055 1.00 0.00 C ATOM 1023 C ASP A 60 -2.340 11.499 -4.038 1.00 0.00 C ATOM 1024 O ASP A 60 -2.721 10.331 -3.970 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.935 12.155 -6.419 1.00 0.00 C ATOM 1026 CG ASP A 60 -3.316 12.769 -6.303 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -3.543 13.542 -5.349 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -4.171 12.475 -7.165 1.00 0.00 O ATOM 0 H ASP A 60 -0.573 9.972 -5.363 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.826 12.849 -4.715 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.299 12.809 -7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.006 11.207 -6.953 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.810 12.459 -3.249 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.823 12.190 -2.235 1.00 0.00 C ATOM 1035 C LYS A 61 -5.127 11.729 -2.879 1.00 0.00 C ATOM 1036 O LYS A 61 -5.712 10.726 -2.469 1.00 0.00 O ATOM 1037 CB LYS A 61 -4.073 13.441 -1.390 1.00 0.00 C ATOM 1038 CG LYS A 61 -5.294 13.334 -0.493 1.00 0.00 C ATOM 1039 CD LYS A 61 -5.834 14.705 -0.121 1.00 0.00 C ATOM 1040 CE LYS A 61 -6.798 15.229 -1.175 1.00 0.00 C ATOM 1041 NZ LYS A 61 -6.091 15.986 -2.246 1.00 0.00 N ATOM 0 H LYS A 61 -2.505 13.431 -3.292 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.454 11.392 -1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.195 13.634 -0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.193 14.299 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.070 12.761 -1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.034 12.786 0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.342 14.648 0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.006 15.404 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.341 14.394 -1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.538 15.875 -0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.717 16.730 -2.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.231 16.420 -1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.831 15.337 -3.016 1.00 0.00 H new ATOM 1055 N ASP A 62 -5.576 12.466 -3.888 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.810 12.132 -4.590 1.00 0.00 C ATOM 1057 C ASP A 62 -6.828 10.658 -4.985 1.00 0.00 C ATOM 1058 O ASP A 62 -7.892 10.055 -5.122 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.969 13.008 -5.833 1.00 0.00 C ATOM 1060 CG ASP A 62 -7.717 14.294 -5.543 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -8.965 14.274 -5.575 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -7.055 15.321 -5.285 1.00 0.00 O ATOM 0 H ASP A 62 -5.104 13.299 -4.239 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.645 12.319 -3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.984 13.247 -6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.500 12.448 -6.603 1.00 0.00 H new ATOM 1067 N SER A 63 -5.642 10.086 -5.169 1.00 0.00 N ATOM 1068 CA SER A 63 -5.521 8.685 -5.554 1.00 0.00 C ATOM 1069 C SER A 63 -5.568 7.778 -4.327 1.00 0.00 C ATOM 1070 O SER A 63 -6.037 6.643 -4.398 1.00 0.00 O ATOM 1071 CB SER A 63 -4.218 8.455 -6.322 1.00 0.00 C ATOM 1072 OG SER A 63 -4.336 8.888 -7.666 1.00 0.00 O ATOM 0 H SER A 63 -4.752 10.571 -5.058 1.00 0.00 H new ATOM 0 HA SER A 63 -6.363 8.438 -6.200 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.405 8.992 -5.834 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.960 7.396 -6.299 1.00 0.00 H new ATOM 0 HG SER A 63 -3.490 8.732 -8.135 1.00 0.00 H new ATOM 1078 N ALA A 64 -5.078 8.290 -3.202 1.00 0.00 N ATOM 1079 CA ALA A 64 -5.065 7.529 -1.959 1.00 0.00 C ATOM 1080 C ALA A 64 -6.473 7.377 -1.394 1.00 0.00 C ATOM 1081 O ALA A 64 -6.858 6.297 -0.947 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.154 8.198 -0.941 1.00 0.00 C ATOM 0 H ALA A 64 -4.685 9.228 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.680 6.533 -2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.154 7.619 -0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.140 8.249 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.515 9.206 -0.737 1.00 0.00 H new ATOM 1088 N GLN A 65 -7.235 8.466 -1.416 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.600 8.453 -0.904 1.00 0.00 C ATOM 1090 C GLN A 65 -9.383 7.274 -1.472 1.00 0.00 C ATOM 1091 O GLN A 65 -9.960 6.482 -0.727 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.308 9.764 -1.246 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.729 10.974 -0.531 1.00 0.00 C ATOM 1094 CD GLN A 65 -9.728 12.105 -0.394 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -10.276 12.339 0.684 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -9.971 12.816 -1.489 1.00 0.00 N ATOM 0 H GLN A 65 -6.930 9.368 -1.783 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.554 8.346 0.180 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.252 9.927 -2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.364 9.674 -0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.386 10.676 0.460 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.856 11.330 -1.077 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.495 12.588 -2.362 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.634 13.590 -1.457 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.401 7.165 -2.797 1.00 0.00 N ATOM 1106 CA ASN A 66 -10.115 6.084 -3.465 1.00 0.00 C ATOM 1107 C ASN A 66 -9.796 4.739 -2.817 1.00 0.00 C ATOM 1108 O ASN A 66 -10.699 3.979 -2.466 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.750 6.046 -4.951 1.00 0.00 C ATOM 1110 CG ASN A 66 -10.767 5.281 -5.776 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -11.690 4.672 -5.236 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -10.601 5.309 -7.093 1.00 0.00 N ATOM 0 H ASN A 66 -8.929 7.812 -3.428 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.184 6.271 -3.365 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.672 7.065 -5.329 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.769 5.586 -5.070 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.253 4.813 -7.700 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.821 5.827 -7.498 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.508 4.454 -2.663 1.00 0.00 N ATOM 1120 CA CYS A 67 -8.070 3.201 -2.057 1.00 0.00 C ATOM 1121 C CYS A 67 -8.565 3.090 -0.619 1.00 0.00 C ATOM 1122 O CYS A 67 -8.931 2.009 -0.158 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.545 3.099 -2.094 1.00 0.00 C ATOM 1124 SG CYS A 67 -5.896 1.516 -1.509 1.00 0.00 S ATOM 0 H CYS A 67 -7.749 5.073 -2.949 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.496 2.379 -2.632 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.205 3.263 -3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -6.123 3.899 -1.486 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.084 0.607 -2.419 1.00 0.00 H new ATOM 1130 N THR A 68 -8.572 4.217 0.087 1.00 0.00 N ATOM 1131 CA THR A 68 -9.019 4.246 1.474 1.00 0.00 C ATOM 1132 C THR A 68 -10.494 3.878 1.585 1.00 0.00 C ATOM 1133 O THR A 68 -10.984 3.556 2.667 1.00 0.00 O ATOM 1134 CB THR A 68 -8.799 5.633 2.106 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.665 6.270 1.507 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.587 5.517 3.608 1.00 0.00 C ATOM 0 H THR A 68 -8.273 5.121 -0.279 1.00 0.00 H new ATOM 0 HA THR A 68 -8.423 3.510 2.013 1.00 0.00 H new ATOM 0 HB THR A 68 -9.690 6.234 1.927 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.829 6.398 0.549 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.434 6.510 4.032 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.464 5.059 4.065 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.711 4.899 3.805 1.00 0.00 H new ATOM 1144 N ARG A 69 -11.198 3.928 0.458 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.618 3.600 0.429 1.00 0.00 C ATOM 1146 C ARG A 69 -12.860 2.298 -0.328 1.00 0.00 C ATOM 1147 O ARG A 69 -13.898 1.657 -0.164 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.412 4.735 -0.221 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.776 4.307 -0.737 1.00 0.00 C ATOM 1150 CD ARG A 69 -14.701 3.828 -2.178 1.00 0.00 C ATOM 1151 NE ARG A 69 -14.872 4.924 -3.128 1.00 0.00 N ATOM 1152 CZ ARG A 69 -14.950 4.751 -4.443 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -14.874 3.532 -4.961 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -15.106 5.798 -5.243 1.00 0.00 N ATOM 0 H ARG A 69 -10.808 4.193 -0.446 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.956 3.471 1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.543 5.537 0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.832 5.145 -1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -15.171 3.510 -0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.472 5.143 -0.666 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.739 3.346 -2.350 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.470 3.075 -2.350 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.935 5.874 -2.762 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.755 2.724 -4.349 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -14.934 3.402 -5.971 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.166 6.737 -4.849 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -15.166 5.664 -6.252 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.895 1.913 -1.157 1.00 0.00 N ATOM 1169 CA ALA A 70 -12.003 0.687 -1.938 1.00 0.00 C ATOM 1170 C ALA A 70 -11.754 -0.541 -1.069 1.00 0.00 C ATOM 1171 O ALA A 70 -12.594 -1.438 -0.991 1.00 0.00 O ATOM 1172 CB ALA A 70 -11.026 0.717 -3.105 1.00 0.00 C ATOM 0 H ALA A 70 -11.030 2.433 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.018 0.623 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.117 -0.205 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.252 1.569 -3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.008 0.808 -2.725 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.596 -0.575 -0.418 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.239 -1.693 0.445 1.00 0.00 C ATOM 1180 C ILE A 71 -10.932 -1.586 1.799 1.00 0.00 C ATOM 1181 O ILE A 71 -11.257 -2.595 2.423 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.716 -1.770 0.665 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.259 -0.661 1.615 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -7.983 -1.672 -0.664 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.811 -0.783 2.034 1.00 0.00 C ATOM 0 H ILE A 71 -9.890 0.159 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.572 -2.600 -0.060 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.478 -2.732 1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.409 0.305 1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.889 -0.674 2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.908 -1.728 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.290 -2.494 -1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.225 -0.724 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.557 0.036 2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.659 -1.733 2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.172 -0.740 1.152 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.156 -0.355 2.247 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.812 -0.115 3.527 1.00 0.00 C ATOM 1199 C ASN A 72 -13.101 -0.923 3.638 1.00 0.00 C ATOM 1200 O ASN A 72 -13.862 -1.030 2.677 1.00 0.00 O ATOM 1201 CB ASN A 72 -12.115 1.375 3.697 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.267 1.626 4.651 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -14.329 2.101 4.248 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -13.061 1.307 5.924 1.00 0.00 N ATOM 0 H ASN A 72 -10.893 0.492 1.743 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.135 -0.434 4.319 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.224 1.884 4.065 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.351 1.808 2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.799 1.453 6.612 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.164 0.916 6.213 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.339 -1.489 4.817 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.536 -2.287 5.053 1.00 0.00 C ATOM 1213 C ASN A 73 -14.661 -3.401 4.018 1.00 0.00 C ATOM 1214 O ASN A 73 -15.762 -3.744 3.588 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.782 -1.400 5.016 1.00 0.00 C ATOM 1216 CG ASN A 73 -16.115 -0.813 6.375 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -15.768 -1.381 7.410 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -16.790 0.330 6.376 1.00 0.00 N ATOM 0 H ASN A 73 -12.719 -1.410 5.623 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.450 -2.741 6.040 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.628 -0.591 4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.630 -1.984 4.658 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.042 0.773 7.260 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -17.057 0.765 5.493 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.523 -3.963 3.622 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.503 -5.040 2.639 1.00 0.00 C ATOM 1227 C LYS A 74 -12.602 -6.180 3.100 1.00 0.00 C ATOM 1228 O LYS A 74 -11.621 -5.959 3.810 1.00 0.00 O ATOM 1229 CB LYS A 74 -13.024 -4.512 1.285 1.00 0.00 C ATOM 1230 CG LYS A 74 -13.608 -5.261 0.099 1.00 0.00 C ATOM 1231 CD LYS A 74 -14.907 -4.630 -0.373 1.00 0.00 C ATOM 1232 CE LYS A 74 -16.102 -5.169 0.398 1.00 0.00 C ATOM 1233 NZ LYS A 74 -17.393 -4.750 -0.215 1.00 0.00 N ATOM 0 H LYS A 74 -12.603 -3.690 3.967 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.518 -5.423 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.286 -3.457 1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.937 -4.575 1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.887 -5.268 -0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.786 -6.300 0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.852 -3.548 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.042 -4.825 -1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -16.052 -6.257 0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.058 -4.817 1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.183 -5.138 0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.452 -3.712 -0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -17.447 -5.108 -1.190 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.940 -7.399 2.691 1.00 0.00 N ATOM 1248 CA GLN A 75 -12.160 -8.573 3.062 1.00 0.00 C ATOM 1249 C GLN A 75 -11.220 -8.982 1.932 1.00 0.00 C ATOM 1250 O GLN A 75 -11.663 -9.429 0.873 1.00 0.00 O ATOM 1251 CB GLN A 75 -13.087 -9.737 3.416 1.00 0.00 C ATOM 1252 CG GLN A 75 -14.213 -9.351 4.363 1.00 0.00 C ATOM 1253 CD GLN A 75 -15.414 -10.268 4.245 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -15.410 -11.385 4.763 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -16.452 -9.800 3.561 1.00 0.00 N ATOM 0 H GLN A 75 -13.749 -7.599 2.103 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.560 -8.317 3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.517 -10.140 2.499 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.499 -10.534 3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.844 -9.372 5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.521 -8.326 4.156 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.412 -8.868 3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.289 -10.373 3.449 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.922 -8.826 2.164 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.919 -9.178 1.165 1.00 0.00 C ATOM 1266 C LEU A 76 -7.949 -10.221 1.711 1.00 0.00 C ATOM 1267 O LEU A 76 -7.599 -10.201 2.892 1.00 0.00 O ATOM 1268 CB LEU A 76 -8.149 -7.932 0.724 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.870 -7.012 -0.262 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.871 -6.128 0.466 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.868 -6.164 -1.032 1.00 0.00 C ATOM 0 H LEU A 76 -9.539 -8.458 3.035 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.435 -9.603 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.896 -7.353 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.210 -8.251 0.272 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.414 -7.632 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.374 -5.480 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.608 -6.752 0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.349 -5.517 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.399 -5.516 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.295 -5.554 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.191 -6.814 -1.586 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.517 -11.132 0.845 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.586 -12.182 1.240 1.00 0.00 C ATOM 1285 C PHE A 77 -7.118 -12.956 2.443 1.00 0.00 C ATOM 1286 O PHE A 77 -6.351 -13.525 3.218 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.218 -11.583 1.570 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.426 -11.193 0.355 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.704 -10.016 -0.321 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.403 -12.003 -0.112 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -3.977 -9.655 -1.440 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -2.672 -11.647 -1.230 1.00 0.00 C ATOM 1293 CZ PHE A 77 -2.960 -10.470 -1.894 1.00 0.00 C ATOM 0 H PHE A 77 -7.797 -11.164 -0.135 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.480 -12.872 0.403 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.357 -10.705 2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.645 -12.305 2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.498 -9.373 0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.174 -12.924 0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.205 -8.736 -1.959 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.878 -12.287 -1.584 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.390 -10.188 -2.767 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.440 -12.970 2.593 1.00 0.00 N ATOM 1304 CA GLY A 78 -9.053 -13.675 3.703 1.00 0.00 C ATOM 1305 C GLY A 78 -8.755 -13.024 5.039 1.00 0.00 C ATOM 1306 O GLY A 78 -8.461 -13.709 6.019 1.00 0.00 O ATOM 0 H GLY A 78 -9.096 -12.506 1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.132 -13.713 3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.696 -14.705 3.717 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.828 -11.698 5.078 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.561 -10.954 6.303 1.00 0.00 C ATOM 1312 C ARG A 79 -9.044 -9.512 6.180 1.00 0.00 C ATOM 1313 O ARG A 79 -8.465 -8.713 5.443 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.065 -10.977 6.623 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.179 -11.023 5.389 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.734 -11.326 5.752 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.495 -12.760 5.897 1.00 0.00 N ATOM 1318 CZ ARG A 79 -3.421 -13.270 6.489 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -2.492 -12.467 6.990 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -3.276 -14.585 6.583 1.00 0.00 N ATOM 0 H ARG A 79 -9.070 -11.117 4.276 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.107 -11.433 7.116 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.813 -10.092 7.208 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.849 -11.844 7.248 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.550 -11.783 4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.231 -10.068 4.866 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.075 -10.925 4.982 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.481 -10.820 6.684 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.191 -13.405 5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.601 -11.455 6.921 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.668 -12.861 7.444 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.990 -15.205 6.200 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.451 -14.976 7.038 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.108 -9.185 6.906 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.668 -7.839 6.879 1.00 0.00 C ATOM 1336 C VAL A 80 -9.572 -6.785 6.989 1.00 0.00 C ATOM 1337 O VAL A 80 -8.901 -6.678 8.016 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.683 -7.631 8.019 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.342 -6.265 7.903 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.727 -8.737 8.012 1.00 0.00 C ATOM 0 H VAL A 80 -10.600 -9.834 7.520 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.179 -7.728 5.923 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.150 -7.672 8.969 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.056 -6.135 8.716 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.580 -5.487 7.961 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.863 -6.192 6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.436 -8.574 8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.258 -8.730 7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.237 -9.701 8.147 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.397 -6.008 5.926 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.384 -4.961 5.905 1.00 0.00 C ATOM 1352 C ILE A 81 -8.998 -3.595 6.191 1.00 0.00 C ATOM 1353 O ILE A 81 -10.005 -3.216 5.591 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.656 -4.909 4.548 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -7.003 -6.259 4.244 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.616 -3.799 4.547 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -5.908 -6.179 3.203 1.00 0.00 C ATOM 0 H ILE A 81 -9.944 -6.084 5.068 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.664 -5.204 6.686 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.387 -4.696 3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.588 -6.669 5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.769 -6.955 3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.110 -3.775 3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.106 -2.841 4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.886 -3.984 5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.490 -7.172 3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.321 -5.799 2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.123 -5.508 3.552 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.385 -2.858 7.111 1.00 0.00 N ATOM 1370 CA LYS A 82 -8.869 -1.532 7.476 1.00 0.00 C ATOM 1371 C LYS A 82 -7.996 -0.444 6.858 1.00 0.00 C ATOM 1372 O LYS A 82 -6.768 -0.526 6.894 1.00 0.00 O ATOM 1373 CB LYS A 82 -8.893 -1.377 8.999 1.00 0.00 C ATOM 1374 CG LYS A 82 -10.112 -2.002 9.654 1.00 0.00 C ATOM 1375 CD LYS A 82 -9.913 -3.489 9.897 1.00 0.00 C ATOM 1376 CE LYS A 82 -10.943 -4.038 10.872 1.00 0.00 C ATOM 1377 NZ LYS A 82 -10.549 -3.799 12.288 1.00 0.00 N ATOM 0 H LYS A 82 -7.552 -3.157 7.618 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.882 -1.424 7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.994 -1.831 9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.860 -0.316 9.249 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.314 -1.501 10.601 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.985 -1.850 9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.984 -4.026 8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.911 -3.664 10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.909 -3.572 10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.067 -5.108 10.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.277 -4.188 12.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.639 -4.265 12.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.456 -2.777 12.455 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.637 0.573 6.293 1.00 0.00 N ATOM 1392 CA ALA A 83 -7.918 1.678 5.670 1.00 0.00 C ATOM 1393 C ALA A 83 -8.373 3.018 6.238 1.00 0.00 C ATOM 1394 O ALA A 83 -9.566 3.247 6.437 1.00 0.00 O ATOM 1395 CB ALA A 83 -8.111 1.649 4.161 1.00 0.00 C ATOM 0 H ALA A 83 -9.653 0.655 6.254 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.857 1.560 5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.569 2.479 3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.731 0.708 3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.172 1.739 3.928 1.00 0.00 H new ATOM 1401 N SER A 84 -7.414 3.901 6.499 1.00 0.00 N ATOM 1402 CA SER A 84 -7.716 5.217 7.049 1.00 0.00 C ATOM 1403 C SER A 84 -6.569 6.190 6.791 1.00 0.00 C ATOM 1404 O SER A 84 -5.404 5.871 7.033 1.00 0.00 O ATOM 1405 CB SER A 84 -7.986 5.116 8.551 1.00 0.00 C ATOM 1406 OG SER A 84 -9.319 4.705 8.803 1.00 0.00 O ATOM 0 H SER A 84 -6.422 3.729 6.338 1.00 0.00 H new ATOM 0 HA SER A 84 -8.609 5.595 6.551 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.292 4.406 9.002 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.805 6.082 9.022 1.00 0.00 H new ATOM 0 HG SER A 84 -9.663 4.217 8.026 1.00 0.00 H new ATOM 1412 N ILE A 85 -6.907 7.377 6.300 1.00 0.00 N ATOM 1413 CA ILE A 85 -5.906 8.396 6.010 1.00 0.00 C ATOM 1414 C ILE A 85 -5.042 8.682 7.234 1.00 0.00 C ATOM 1415 O ILE A 85 -5.556 8.941 8.322 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.560 9.709 5.540 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.493 9.444 4.356 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.493 10.726 5.163 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -6.866 8.598 3.271 1.00 0.00 C ATOM 0 H ILE A 85 -7.866 7.657 6.095 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.279 8.004 5.209 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.151 10.118 6.360 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.394 8.948 4.717 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.804 10.397 3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.970 11.649 4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.865 10.932 6.029 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.879 10.327 4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.584 8.451 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.981 9.102 2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.580 7.630 3.684 1.00 0.00 H new ATOM 1431 N ALA A 86 -3.727 8.635 7.048 1.00 0.00 N ATOM 1432 CA ALA A 86 -2.792 8.892 8.135 1.00 0.00 C ATOM 1433 C ALA A 86 -2.265 10.322 8.079 1.00 0.00 C ATOM 1434 O ALA A 86 -1.385 10.638 7.277 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.639 7.901 8.086 1.00 0.00 C ATOM 0 H ALA A 86 -3.285 8.421 6.154 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.326 8.765 9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.949 8.105 8.904 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.027 6.887 8.183 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.115 8.000 7.136 1.00 0.00 H new